A0A087Y8F9_POEFO Loading...

small monomeric GTPase

AlphaFold DB (A0A3B3UCP0), UniProt , Accession A0A087Y8F9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 206 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
1M46.2Very low82.2Confident245 Ų24588 Ų88100%1.20746%0.46SS*.  0122.80-78.5175-179.700108K3M1-K3 PolarHBondContact O-N 2.85Å
2A51.6Low83.3Confident100 Ų10080.8 Ų80.883%0.82642%0.422SS*.  trans-59.5135.3177.400000109.7S4A2-S4 PolarHBondContact O-N 3.27Å
3K60.5Low84.2Confident185 Ų18574.5 Ų74.580%0.80439%0.39SS*.  trans-59.8121.5174.6-77-176.8175.7179.10108.1M1 Y5M1-K3 PolarHBondContact O-N 2.85Å; K3-Y5 PolarHBondContact O-N 2.71Å
4S84.5Confident84.9Confident88 Ų8869.2 Ų69.262%0.61536%0.362SS*.SBendtrans-79.12.2-178.353.60000114.1A2A2-S4 PolarHBondContact O-N 3.27Å
5Y89.8Confident85.5Confident71 Ų7164.6 Ų64.628%0.27834%0.338SS..  trans-152.4151.7179.959.4-90.7000110K3 Y7 L8 K58K3-Y5 PolarHBondContact O-N 2.71Å; Y5-Y7 VanDerWaalsContact CD2-O 3.24Å; Y5-Y7 WeakPolarHBondContact CD2-O 3.19Å; Y5-L8 HydrophobicContact CD2-CB 4.42Å; Y5-L8 HydrophobicContact CE2-CB 3.79Å; Y5-K58 HydrophobicContact CD1-CB 4.26Å; Y5-K58 HydrophobicContact CD1-CD 4.17Å; Y5-K58 HydrophobicContact CD2-CB 4.2Å; Y5-K58 HydrophobicContact CE1-CD 4.15Å; Y5-K58 HydrophobicContact CG-CB 3.94Å
6D92.8Very high85.9Confident85 Ų8561.9 Ų61.946%0.45532%0.324SS..SBendtrans-81.8-43.8176.9-62.3-82.6000111.3K55 K56D6-K55 HydrophobicContact CB-CB 4.27Å; D6-K55 HydrophobicContact CB-CD 4.13Å; D6-K56 PolarHBondContact N-O 3.21Å; D6-K56 PolarHBondContact OD2-N 3.28Å
7Y94.9Very high86.1Confident54 Ų5461.4 Ų61.421%0.21233%0.327CS..EExtended strand (participates in β ladder)trans-130.5150.1-176.2-61.9-84000112.4Y5 F9 K55 K56 I57 K58 M170 L173Y5-Y7 VanDerWaalsContact CD2-O 3.24Å; Y5-Y7 WeakPolarHBondContact CD2-O 3.19Å; Y7-F9 HydrophobicContact CD1-CE1 4.09Å; Y7-F9 HydrophobicContact CD1-CZ 4.41Å; Y7-F9 HydrophobicContact CG-CE1 4.06Å; Y7-F9 HydrophobicContact CG-CZ 4.16Å; Y7-K55 HydrophobicContact CD2-CB 4.16Å; Y7-K55 HydrophobicContact CE2-CB 4.12Å; Y7-K55 HydrophobicContact CE2-CD 4.19Å; Y7-K55 HydrophobicContact CE2-CG 3.96Å; Y7-K56 PolarHBondContact N-O 2.77Å; Y7-I57 HydrophobicContact CD2-CG1 4.44Å; Y7-K58 PolarHBondContact O-N 3.2Å; Y7-M170 HydrophobicContact CE2-CE 4.35Å; Y7-L173 HydrophobicContact CD1-CD1 4.41Å
8L95.4Very high86.4Confident59 Ų5959.4 Ų59.431%0.30932%0.323SS..EExtended strand (participates in β ladder)trans-120.7113.6172-178.873.1000108.3Y5 K58 Q60Y5-L8 HydrophobicContact CD2-CB 4.42Å; Y5-L8 HydrophobicContact CE2-CB 3.79Å; L8-K58 WeakPolarHBondContact CA-O 3.49Å; L8-K58 HydrophobicContact CD1-CB 3.85Å; L8-K58 HydrophobicContact CD1-CD 3.77Å; L8-K58 HydrophobicContact CD1-CG 3.68Å; L8-Q60 HydrophobicContact CD1-CG 3.75Å
9F96.9Very high86.9Confident1 Ų156.4 Ų56.40%0.00431%0.307CS..EExtended strand (participates in β ladder)trans-110135.7177.2-60.5-18.1000111.2Y7 I57 K58 L59 Q60 M82 A166 I169 M170 L173Y7-F9 HydrophobicContact CD1-CE1 4.09Å; Y7-F9 HydrophobicContact CD1-CZ 4.41Å; Y7-F9 HydrophobicContact CG-CE1 4.06Å; Y7-F9 HydrophobicContact CG-CZ 4.16Å; F9-I57 HydrophobicContact CB-CG2 4.43Å; F9-I57 HydrophobicContact CD1-CG2 4.44Å; F9-I57 HydrophobicContact CD2-CD1 4.47Å; F9-I57 HydrophobicContact CD2-CG2 3.43Å; F9-I57 VanDerWaalsContact CD2-CG2 3.43Å; F9-I57 HydrophobicContact CE2-CD1 3.74Å; F9-I57 HydrophobicContact CE2-CG2 3.66Å; F9-I57 HydrophobicContact CG-CG2 3.85Å; F9-I57 HydrophobicContact CZ-CD1 4.23Å; F9-I57 HydrophobicContact CZ-CG2 4.23Å; F9-K58 PolarHBondContact N-O 2.66Å; F9-L59 HydrophobicContact CB-CD2 3.9Å; F9-L59 HydrophobicContact CD2-CD2 4.08Å; F9-L59 HydrophobicContact CG-CD2 4.44Å; F9-Q60 PolarHBondContact O-N 2.68Å; F9-M82 HydrophobicContact CB-SD 4.38Å; F9-M82 HydrophobicContact CD1-CE 3.6Å; F9-M82 HydrophobicContact CD1-SD 3.97Å; F9-M82 HydrophobicContact CE1-CE 4.01Å; F9-M82 HydrophobicContact CG-CE 4.49Å; F9-A166 HydrophobicContact CD2-CB 4.25Å; F9-A166 HydrophobicContact CE2-CB 4.49Å; F9-A166 WeakPolarHBondContact CE2-O 3.27Å; F9-I169 HydrophobicContact CB-CD1 4.47Å; F9-I169 HydrophobicContact CD1-CG2 3.79Å; F9-I169 HydrophobicContact CD2-CB 4.12Å; F9-I169 HydrophobicContact CD2-CD1 4.34Å; F9-I169 HydrophobicContact CD2-CG2 3.86Å; F9-I169 HydrophobicContact CE1-CG2 3.81Å; F9-I169 HydrophobicContact CE2-CB 4.05Å; F9-I169 HydrophobicContact CE2-CG2 3.85Å; F9-I169 HydrophobicContact CG-CG2 3.86Å; F9-I169 HydrophobicContact CZ-CB 4.44Å; F9-I169 HydrophobicContact CZ-CG2 3.84Å; F9-M170 HydrophobicContact CE2-CB 4.08Å; F9-M170 HydrophobicContact CZ-CB 3.93Å; F9-L173 HydrophobicContact CD1-CD1 4.33Å; F9-L173 HydrophobicContact CE1-CD1 3.4Å; F9-L173 VanDerWaalsContact CE1-CD1 3.4Å; F9-L173 HydrophobicContact CZ-CD1 3.9Å
10K95.7Very high87.3Confident80 Ų8054.2 Ų54.235%0.34830%0.298SS..EExtended strand (participates in β ladder)trans-101.2117175.1-67.9179.1178.8-178.30109.5Q60 G80 M82 G83K10-Q60 CarbonylContact C-O 3.59Å; K10-Q60 WeakPolarHBondContact CA-O 3.07Å; K10-Q60 HydrophobicContact CG-CB 4.19Å; K10-G80 WeakPolarHBondContact CD-O 3.27Å; K10-M82 PolarHBondContact O-N 2.55Å; K10-G83 PolarHBondContact O-N 3.33Å
11L96.6Very high87.6Confident0 Ų052 Ų520%029%0.285CS..EExtended strand (participates in β ladder)trans-110.7143.4177.6-54.8-174.1000110.1L59 Q60 I61 W62 G83 F162 L165 I169L11-L59 HydrophobicContact CD1-CD1 4.42Å; L11-L59 HydrophobicContact CD1-CD2 4.29Å; L11-Q60 PolarHBondContact N-O 3.23Å; L11-I61 HydrophobicContact CB-CG1 4.26Å; L11-I61 HydrophobicContact CB-CG2 4.39Å; L11-I61 HydrophobicContact CD1-CG1 4.3Å; L11-I61 WeakPolarHBondContact O-CA 3.36Å; L11-W62 PolarHBondContact O-N 2.91Å; L11-G83 CarbonylContact C-O 3.51Å; L11-G83 VanDerWaalsContact CA-O 3.29Å; L11-G83 WeakPolarHBondContact CA-O 3.32Å; L11-F162 HydrophobicContact CD1-CD1 4.02Å; L11-L165 HydrophobicContact CD2-CD2 4Å; L11-L165 HydrophobicContact CD2-CG 4.29Å; L11-I169 HydrophobicContact CD2-CD1 3.44Å; L11-I169 VanDerWaalsContact CD2-CD1 3.44Å
12L95Very high89.8Confident1 Ų141.9 Ų41.91%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-123.9129.6176.3-174.967.8000109.7I14 W62 T64 Y78 A81 G83 I84 M85L12-I14 HydrophobicContact CD2-CG2 3.76Å; L12-I14 HydrophobicContact CG-CG2 3.8Å; L12-W62 HydrophobicContact CD1-CB 3.6Å; L12-T64 HydrophobicContact CD1-CG2 3.44Å; L12-T64 VanDerWaalsContact CD1-CG2 3.44Å; L12-T64 HydrophobicContact CG-CG2 4.26Å; L12-Y78 HydrophobicContact CD2-CD1 4.24Å; L12-Y78 HydrophobicContact CD2-CD2 4.44Å; L12-Y78 HydrophobicContact CD2-CE1 4.36Å; L12-Y78 HydrophobicContact CD2-CG 4.29Å; L12-A81 HydrophobicContact CB-CB 4.36Å; L12-G83 PolarHBondContact N-O 3.02Å; L12-I84 HydrophobicContact CB-CG1 4.21Å; L12-I84 WeakPolarHBondContact O-CA 3.29Å; L12-M85 PolarHBondContact O-N 2.9Å
13L94.9Very high91.8Very high0 Ų038.9 Ų38.90%021%0.21CC..EExtended strand (participates in β ladder)trans-94.8122.9170.9-57.4-178.4000108.8K21 L25 I61 W62 T64 M85 F162L13-K21 HydrophobicContact CB-CB 4.2Å; L13-K21 HydrophobicContact CB-CD 4.31Å; L13-K21 HydrophobicContact CB-CG 4.48Å; L13-K21 HydrophobicContact CD1-CB 4.39Å; L13-L25 HydrophobicContact CD1-CB 3.94Å; L13-I61 HydrophobicContact CD1-CG2 4.23Å; L13-I61 HydrophobicContact CG-CG2 4.08Å; L13-W62 PolarHBondContact N-O 3.18Å; L13-T64 WeakPolarHBondContact O-CG2 3.29Å; L13-T64 PolarHBondContact O-OG1 3.44Å; L13-M85 HydrophobicContact CD2-CB 3.66Å; L13-M85 HydrophobicContact CD2-CG 3.97Å; L13-M85 HydrophobicContact CD2-SD 3.69Å; L13-F162 HydrophobicContact CD1-CZ 4.31Å; L13-F162 HydrophobicContact CD2-CE1 4.01Å; L13-F162 HydrophobicContact CD2-CZ 4.08Å
14I93.7Very high93.5Very high0 Ų030.1 Ų30.10%017%0.172CC..EExtended strand (participates in β ladder)trans-127.4160.2175.170172.9000111.2L12 K21 T74 Y78 I84 M85 L86 V87 W102 I106L12-I14 HydrophobicContact CD2-CG2 3.76Å; L12-I14 HydrophobicContact CG-CG2 3.8Å; I14-K21 VanDerWaalsContact C-CD 3.44Å; I14-T74 HydrophobicContact CG2-CG2 4.43Å; I14-Y78 HydrophobicContact CD1-CE1 4.25Å; I14-I84 HydrophobicContact CD1-CG2 3.75Å; I14-I84 HydrophobicContact CG1-CG2 3.84Å; I14-I84 HydrophobicContact CG2-CG2 4.34Å; I14-M85 PolarHBondContact N-O 2.78Å; I14-L86 HydrophobicContact CD1-CD2 4.18Å; I14-L86 HydrophobicContact CD1-CG 4Å; I14-L86 HydrophobicContact CG1-CB 4.41Å; I14-L86 HydrophobicContact CG1-CG 4.01Å; I14-V87 PolarHBondContact O-N 3.12Å; I14-W102 HydrophobicContact CB-CE3 4.19Å; I14-W102 HydrophobicContact CB-CZ3 4.45Å; I14-W102 HydrophobicContact CD1-CB 3.94Å; I14-W102 HydrophobicContact CD1-CD2 4.44Å; I14-W102 HydrophobicContact CD1-CE3 4.02Å; I14-W102 HydrophobicContact CD1-CG 4.45Å; I14-W102 HydrophobicContact CG1-CE3 4.45Å; I14-I106 HydrophobicContact CD1-CD1 3.78Å; I14-I106 HydrophobicContact CD1-CG1 3.86Å
15G93.6Very high93.9Very high0 Ų026 Ų260%014%0.143CC..  trans142.4168.4-175.300000111.6K21 G66 V87G15-K21 PolarHBondContact O-NZ 3.49Å; G15-G66 WeakPolarHBondContact O-CA 3.43Å; G15-V87 WeakPolarHBondContact CA-O 3.37Å
16D92.3Very high94.1Very high22 Ų2225.5 Ų25.512%0.11814%0.142CC..  trans-62.3164.7-175.8-75.614.1000112.9V19 K21 N98 W102D16-V19 HydrophobicContact CB-CG1 3.82Å; D16-V19 WeakPolarHBondContact O-CG2 3.44Å; D16-K21 PolarHBondContact O-NZ 3.39Å; D16-N98 PolarHBondContact OD2-ND2 3.12Å; D16-W102 PolarHBondContact OD1-NE1 3.18Å
17S90.3Very high94.1Very high53 Ų5323.3 Ų23.337%0.37113%0.127SC..THydrogen-bonded Turntrans-62.8142.1171.8-1680000110.4V19 G66S17-V19 VanDerWaalsContact C-N 3.28Å; S17-V19 PolarHBondContact O-N 2.89Å; S17-G66 PolarHBondContact N-O 3.12Å
18G91.1Very high94.1Very high26 Ų2621 Ų2127%0.26812%0.118SC..THydrogen-bonded Turntrans81.5-6.3176.300000116.4G20 K122G18-G20 PolarHBondContact O-N 3.37Å; G18-K122 WeakPolarHBondContact O-CE 3.39Å; G18-K122 PolarHBondContact O-NZ 3.17Å
19V95.3Very high93.9Very high1 Ų119.7 Ų19.71%0.00611%0.114CC..SBendtrans-71.3-17.8-179.3-55.50000113.8D16 S17 K21 V87 D89 N121D16-V19 HydrophobicContact CB-CG1 3.82Å; D16-V19 WeakPolarHBondContact O-CG2 3.44Å; S17-V19 VanDerWaalsContact C-N 3.28Å; S17-V19 PolarHBondContact O-N 2.89Å; V19-K21 HydrophobicContact CG2-CD 4.37Å; V19-K21 HydrophobicContact CG2-CG 3.7Å; V19-V87 HydrophobicContact CB-CG1 4.29Å; V19-V87 HydrophobicContact CG2-CB 3.91Å; V19-V87 HydrophobicContact CG2-CG1 3.84Å; V19-D89 HydrophobicContact CB-CB 4.27Å; V19-D89 HydrophobicContact CG1-CB 4.23Å; V19-N121 PolarHBondContact O-ND2 3.44Å
20G94.3Very high93.4Very high12 Ų1224.4 Ų24.412%0.12414%0.137CC..  trans100.725.4174.200000115.9G18 C23 L24G18-G20 PolarHBondContact O-N 3.37Å; G20-C23 PolarHBondContact O-N 3.09Å; G20-L24 WeakPolarHBondContact O-CG 3.44Å; G20-L24 PolarHBondContact O-N 2.79Å
21K94.6Very high92.9Very high9 Ų926 Ų264%0.03915%0.149CC..Hα-helixtrans-53.9-52.4174.8-58-174.9-61.2-73.80112.5L13 I14 G15 D16 V19 C23 L24 L25 D63 T64 V87L13-K21 HydrophobicContact CB-CB 4.2Å; L13-K21 HydrophobicContact CB-CD 4.31Å; L13-K21 HydrophobicContact CB-CG 4.48Å; L13-K21 HydrophobicContact CD1-CB 4.39Å; I14-K21 VanDerWaalsContact C-CD 3.44Å; G15-K21 PolarHBondContact O-NZ 3.49Å; D16-K21 PolarHBondContact O-NZ 3.39Å; V19-K21 HydrophobicContact CG2-CD 4.37Å; V19-K21 HydrophobicContact CG2-CG 3.7Å; K21-C23 VanDerWaalsContact C-N 3.32Å; K21-C23 PolarHBondContact O-N 2.85Å; K21-L24 WeakPolarHBondContact O-CB 3.44Å; K21-L24 PolarHBondContact O-N 3.39Å; K21-L24 VanDerWaalsContact O-N 3.15Å; K21-L25 PolarHBondContact O-N 3.19Å; K21-D63 WeakPolarHBondContact CB-OD1 3.43Å; K21-T64 WeakPolarHBondContact CE-O 3.18Å; K21-V87 HydrophobicContact CG-CB 4.01Å; K21-V87 HydrophobicContact CG-CG2 4.03Å
22T92.2Very high92.1Very high33 Ų3328 Ų2820%0.20217%0.165CC..Hα-helixtrans-58.4-43.3176.2-44.30000111.6L24 L25 F26 T40 D63T22-L24 PolarHBondContact O-N 2.83Å; T22-L25 WeakPolarHBondContact O-CB 3.17Å; T22-L25 PolarHBondContact O-N 3.12Å; T22-F26 HydrophobicContact CG2-CD2 3.69Å; T22-F26 HydrophobicContact CG2-CE2 3.54Å; T22-F26 VanDerWaalsContact O-CD2 3.23Å; T22-F26 WeakPolarHBondContact O-CD2 3.47Å; T22-F26 PolarHBondContact O-N 3.19Å; T22-T40 PolarHBondContact OG1-OG1 2.69Å; T22-D63 WeakPolarHBondContact CA-OD2 3.46Å; T22-D63 VanDerWaalsContact CB-OD2 3.29Å; T22-D63 WeakPolarHBondContact CB-OD2 3.44Å; T22-D63 PolarHBondContact N-OD1 3.01Å; T22-D63 PolarHBondContact OG1-OD2 3.27Å
23C93.6Very high91.2Very high37 Ų3731.4 Ų31.425%0.2518%0.18CC..Hα-helixtrans-64.1-39.5177-55.80000112.4G20 K21 R27 F33 A152G20-C23 PolarHBondContact O-N 3.09Å; K21-C23 VanDerWaalsContact C-N 3.32Å; K21-C23 PolarHBondContact O-N 2.85Å; C23-R27 WeakPolarHBondContact O-CB 3.5Å; C23-R27 PolarHBondContact O-N 3.37Å; C23-F33 HydrophobicContact CB-CD2 4.31Å; C23-F33 HydrophobicContact CB-CE2 4.08Å; C23-A152 HydrophobicContact CB-CB 3.64Å
24L95.8Very high90.2Very high1 Ų136.2 Ų36.21%0.00521%0.206CC..Hα-helixtrans-64.6-42.5174.3-73.9168.7000111.1G20 K21 T22 R27 F28 V87 L119 N121 A152 V158G20-L24 WeakPolarHBondContact O-CG 3.44Å; G20-L24 PolarHBondContact O-N 2.79Å; K21-L24 WeakPolarHBondContact O-CB 3.44Å; K21-L24 PolarHBondContact O-N 3.39Å; K21-L24 VanDerWaalsContact O-N 3.15Å; T22-L24 PolarHBondContact O-N 2.83Å; L24-R27 PolarHBondContact O-N 3.3Å; L24-F28 VanDerWaalsContact O-CB 3.31Å; L24-F28 WeakPolarHBondContact O-CB 3.36Å; L24-F28 PolarHBondContact O-N 3.02Å; L24-V87 HydrophobicContact CD1-CG1 3.78Å; L24-V87 HydrophobicContact CD1-CG2 4.08Å; L24-L119 HydrophobicContact CD1-CD1 3.91Å; L24-N121 HydrophobicContact CD1-CB 4.32Å; L24-A152 HydrophobicContact CD2-CB 3.94Å; L24-A152 HydrophobicContact CG-CB 4.16Å; L24-V158 HydrophobicContact CD2-CB 4.49Å; L24-V158 HydrophobicContact CD2-CG1 4.15Å; L24-V158 HydrophobicContact CD2-CG2 3.78Å
25L94.3Very high88.8Confident0 Ų042 Ų420%024%0.241CC..Hα-helixtrans-59.9-53.1176179.755.3000111.4L13 K21 T22 R27 F28 S29 K46 I61 D63L13-L25 HydrophobicContact CD1-CB 3.94Å; K21-L25 PolarHBondContact O-N 3.19Å; T22-L25 WeakPolarHBondContact O-CB 3.17Å; T22-L25 PolarHBondContact O-N 3.12Å; L25-R27 PolarHBondContact O-N 3.37Å; L25-F28 CarbonylContact O-C 3.57Å; L25-F28 PolarHBondContact O-N 3.37Å; L25-F28 VanDerWaalsContact O-N 3.17Å; L25-S29 WeakPolarHBondContact O-CB 3.39Å; L25-S29 PolarHBondContact O-N 3.32Å; L25-S29 PolarHBondContact O-OG 3.41Å; L25-K46 HydrophobicContact CD1-CB 3.95Å; L25-K46 HydrophobicContact CD1-CG 4.24Å; L25-K46 HydrophobicContact CD2-CB 4.19Å; L25-K46 HydrophobicContact CD2-CG 3.82Å; L25-K46 HydrophobicContact CG-CB 4.27Å; L25-K46 HydrophobicContact CG-CG 4Å; L25-I61 HydrophobicContact CD1-CB 3.75Å; L25-I61 HydrophobicContact CD1-CD1 3.92Å; L25-I61 HydrophobicContact CD1-CG1 4.45Å; L25-I61 HydrophobicContact CD1-CG2 3.6Å; L25-D63 HydrophobicContact CD2-CB 3.58Å
26F92.2Very high87.6Confident61 Ų6146.3 Ų46.327%0.26827%0.268SS..Hα-helixtrans-61.7-42.7179.1-84.3-69.4000112.4T22 F28 S29 E30 D31 A32T22-F26 HydrophobicContact CG2-CD2 3.69Å; T22-F26 HydrophobicContact CG2-CE2 3.54Å; T22-F26 VanDerWaalsContact O-CD2 3.23Å; T22-F26 WeakPolarHBondContact O-CD2 3.47Å; T22-F26 PolarHBondContact O-N 3.19Å; F26-F28 VanDerWaalsContact C-N 3.26Å; F26-F28 PolarHBondContact O-N 3.05Å; F26-S29 PolarHBondContact O-N 2.99Å; F26-E30 WeakPolarHBondContact CD1-OE2 3.33Å; F26-E30 PolarHBondContact O-N 2.83Å; F26-D31 PolarHBondContact O-N 3.15Å; F26-A32 CarbonylContact C-O 3.54Å
27R94.4Very high86.1Confident39 Ų3951.7 Ų51.715%0.14729%0.29CS..Hα-helixtrans-60.2-41.4176177.258.173.4169.35.4110.9C23 L24 L25 D31 A32 F33 A152 K153 S155 V158C23-R27 WeakPolarHBondContact O-CB 3.5Å; C23-R27 PolarHBondContact O-N 3.37Å; L24-R27 PolarHBondContact O-N 3.3Å; L25-R27 PolarHBondContact O-N 3.37Å; R27-D31 WeakPolarHBondContact CD-OD1 3.26Å; R27-D31 IonicContact CZ-OD1 2.59Å; R27-D31 PolarHBondContact NH1-O 3.34Å; R27-D31 IonicContact NH1-OD1 2.66Å; R27-D31 PolarHBondContact NH1-OD1 3.34Å; R27-D31 VanDerWaalsContact O-CA 3.3Å; R27-D31 WeakPolarHBondContact O-CA 3.16Å; R27-D31 PolarHBondContact O-N 3.03Å; R27-A32 WeakPolarHBondContact CA-O 3.46Å; R27-A32 PolarHBondContact N-O 2.94Å; R27-F33 VanDerWaalsContact NH2-CB 3.29Å; R27-A152 PolarHBondContact NE-O 2.9Å; R27-A152 PolarHBondContact NH2-O 3.46Å; R27-K153 PolarHBondContact NH2-O 3.36Å; R27-S155 WeakPolarHBondContact CD-OG 3.43Å; R27-V158 HydrophobicContact CB-CG1 4.14Å; R27-V158 HydrophobicContact CG-CB 4.11Å; R27-V158 HydrophobicContact CG-CG1 3.87Å; R27-V158 HydrophobicContact CG-CG2 3.97Å
28F94.7Very high85.1Confident5 Ų555.2 Ų55.22%0.02230%0.304CS..Hα-helixtrans-71.2-40177.1-179.4-107.9000113.1L24 L25 F26 R48 V50 L59 I61 V158 E159 F162L24-F28 VanDerWaalsContact O-CB 3.31Å; L24-F28 WeakPolarHBondContact O-CB 3.36Å; L24-F28 PolarHBondContact O-N 3.02Å; L25-F28 CarbonylContact O-C 3.57Å; L25-F28 PolarHBondContact O-N 3.37Å; L25-F28 VanDerWaalsContact O-N 3.17Å; F26-F28 VanDerWaalsContact C-N 3.26Å; F26-F28 PolarHBondContact O-N 3.05Å; F28-R48 HydrophobicContact CE1-CB 4.01Å; F28-R48 HydrophobicContact CE1-CG 4.19Å; F28-R48 VanDerWaalsContact O-CD 3.24Å; F28-R48 WeakPolarHBondContact O-CD 3.28Å; F28-R48 PolarHBondContact O-NH1 2.92Å; F28-V50 HydrophobicContact CZ-CG1 3.99Å; F28-L59 HydrophobicContact CE1-CD1 3.91Å; F28-L59 HydrophobicContact CZ-CD1 3.78Å; F28-I61 HydrophobicContact CD1-CD1 3.55Å; F28-I61 HydrophobicContact CE1-CD1 3.54Å; F28-V158 HydrophobicContact CB-CG1 4.04Å; F28-E159 HydrophobicContact CE2-CG 4.39Å; F28-F162 HydrophobicContact CB-CD2 3.64Å; F28-F162 HydrophobicContact CB-CE2 3.5Å; F28-F162 VanDerWaalsContact CB-CE2 3.5Å; F28-F162 HydrophobicContact CB-CG 4.46Å; F28-F162 HydrophobicContact CB-CZ 4.19Å; F28-F162 HydrophobicContact CD1-CB 4.41Å; F28-F162 HydrophobicContact CD1-CD1 4.13Å; F28-F162 AromaticContact CD1-CD2 3.95Å; F28-F162 HydrophobicContact CD1-CD2 3.95Å; F28-F162 HydrophobicContact CD1-CE1 4.39Å; F28-F162 HydrophobicContact CD1-CE2 4.24Å; F28-F162 AromaticContact CD1-CG 3.91Å; F28-F162 HydrophobicContact CD1-CG 3.91Å; F28-F162 HydrophobicContact CD1-CZ 4.45Å; F28-F162 HydrophobicContact CD2-CB 3.78Å; F28-F162 AromaticContact CD2-CD2 3.41Å; F28-F162 HydrophobicContact CD2-CD2 3.41Å; F28-F162 VanDerWaalsContact CD2-CD2 3.41Å; F28-F162 HydrophobicContact CD2-CE2 4.19Å; F28-F162 AromaticContact CD2-CG 3.74Å; F28-F162 HydrophobicContact CD2-CG 3.74Å; F28-F162 HydrophobicContact CE1-CB 4.09Å; F28-F162 HydrophobicContact CE1-CD1 4.22Å; F28-F162 HydrophobicContact CE1-CD2 4.47Å; F28-F162 HydrophobicContact CE1-CG 4.02Å; F28-F162 HydrophobicContact CE2-CB 3.41Å; F28-F162 VanDerWaalsContact CE2-CB 3.41Å; F28-F162 HydrophobicContact CE2-CD2 4Å; F28-F162 AromaticContact CE2-CG 3.86Å; F28-F162 HydrophobicContact CE2-CG 3.86Å; F28-F162 HydrophobicContact CG-CB 4.26Å; F28-F162 HydrophobicContact CG-CD1 4.38Å; F28-F162 AromaticContact CG-CD2 3.37Å; F28-F162 HydrophobicContact CG-CD2 3.37Å; F28-F162 AromaticContact CG-CE2 3.73Å; F28-F162 HydrophobicContact CG-CE2 3.73Å; F28-F162 AromaticContact CG-CG 3.76Å; F28-F162 HydrophobicContact CG-CG 3.76Å; F28-F162 HydrophobicContact CG-CZ 4.36Å; F28-F162 HydrophobicContact CZ-CB 3.59Å; F28-F162 HydrophobicContact CZ-CD2 4.5Å; F28-F162 AromaticContact CZ-CG 4Å; F28-F162 HydrophobicContact CZ-CG 4Å
29S89.6Confident84.1Confident32 Ų3257 Ų5722%0.22431%0.312CS..Hα-helixtrans-86.2-31.2-172.759.40000114.3L25 F26L25-S29 WeakPolarHBondContact O-CB 3.39Å; L25-S29 PolarHBondContact O-N 3.32Å; L25-S29 PolarHBondContact O-OG 3.41Å; F26-S29 PolarHBondContact O-N 2.99Å
30E87.3Confident82.7Confident101 Ų10158.7 Ų58.747%0.47232%0.322SS..Hα-helixtrans-130.2-1.1-167.3-66.1173.6-156.600113.1F26 A32 K46F26-E30 WeakPolarHBondContact CD1-OE2 3.33Å; F26-E30 PolarHBondContact O-N 2.83Å; E30-A32 HydrophobicContact CB-CB 4.06Å; E30-A32 PolarHBondContact O-N 2.81Å; E30-A32 VanDerWaalsContact O-N 3.1Å; E30-K46 WeakPolarHBondContact OE1-CE 3.47Å; E30-K46 IonicContact OE1-NZ 2.83Å; E30-K46 PolarHBondContact OE1-NZ 3.08Å
31D85.4Confident81.4Confident112 Ų11265.2 Ų65.260%0.59935%0.353SS*.SBendtrans49.230.5-169.2-163.323.4000113.6F26 R27F26-D31 PolarHBondContact O-N 3.15Å; R27-D31 WeakPolarHBondContact CD-OD1 3.26Å; R27-D31 IonicContact CZ-OD1 2.59Å; R27-D31 PolarHBondContact NH1-O 3.34Å; R27-D31 IonicContact NH1-OD1 2.66Å; R27-D31 PolarHBondContact NH1-OD1 3.34Å; R27-D31 VanDerWaalsContact O-CA 3.3Å; R27-D31 WeakPolarHBondContact O-CA 3.16Å; R27-D31 PolarHBondContact O-N 3.03Å
32A78.7Confident80.2Confident42 Ų4265.7 Ų65.735%0.34736%0.36SS..  trans-109.7147.9-177.100000111.2F26 R27 E30F26-A32 CarbonylContact C-O 3.54Å; R27-A32 WeakPolarHBondContact CA-O 3.46Å; R27-A32 PolarHBondContact N-O 2.94Å; E30-A32 HydrophobicContact CB-CB 4.06Å; E30-A32 PolarHBondContact O-N 2.81Å; E30-A32 VanDerWaalsContact O-N 3.1Å
33F76.5Confident79.5Confident74 Ų7466.1 Ų66.133%0.32536%0.361SS..  trans-135.2122.9171.2-179.8-96.6000110.2C23 R27 T35 A152 K153C23-F33 HydrophobicContact CB-CD2 4.31Å; C23-F33 HydrophobicContact CB-CE2 4.08Å; R27-F33 VanDerWaalsContact NH2-CB 3.29Å; F33-T35 HydrophobicContact CD1-CG2 4.31Å; F33-T35 HydrophobicContact CE1-CG2 3.79Å; F33-A152 HydrophobicContact CD2-CB 4.25Å; F33-A152 WeakPolarHBondContact CD2-O 3.44Å; F33-A152 HydrophobicContact CE2-CB 4.21Å; F33-K153 HydrophobicContact CD1-CG 4.27Å; F33-K153 HydrophobicContact CD2-CB 4.41Å; F33-K153 HydrophobicContact CE1-CB 4.12Å; F33-K153 HydrophobicContact CE1-CG 3.85Å; F33-K153 HydrophobicContact CE2-CB 3.97Å; F33-K153 HydrophobicContact CZ-CB 3.82Å; F33-K153 HydrophobicContact CZ-CG 4.03Å
34N73.5Confident79Confident101 Ų10167 Ų6754%0.5436%0.363SS..  trans-105.9128.4174-164.3-27.2000109.4T36N34-T36 VanDerWaalsContact C-N 3.28Å; N34-T36 VanDerWaalsContact OD1-CB 3.28Å; N34-T36 WeakPolarHBondContact OD1-CB 3.35Å; N34-T36 PolarHBondContact OD1-N 3.39Å; N34-T36 PolarHBondContact OD1-OG1 3.3Å
35T65.9Low78.5Confident121 Ų12170.2 Ų70.274%0.74238%0.377SS*.  trans-76.2-17.7176.646.90000112.8F33 F37F33-T35 HydrophobicContact CD1-CG2 4.31Å; F33-T35 HydrophobicContact CE1-CG2 3.79Å; T35-F37 PolarHBondContact O-N 3.14Å
36T67.9Low78.3Confident90 Ų9072.9 Ų72.955%0.55239%0.389SS*.SBendtrans-73.9110-179.4-46.50000109.2N34 I38N34-T36 VanDerWaalsContact C-N 3.28Å; N34-T36 VanDerWaalsContact OD1-CB 3.28Å; N34-T36 WeakPolarHBondContact OD1-CB 3.35Å; N34-T36 PolarHBondContact OD1-N 3.39Å; N34-T36 PolarHBondContact OD1-OG1 3.3Å; T36-I38 HydrophobicContact CG2-CG1 4.08Å; T36-I38 PolarHBondContact O-N 3.45Å
37F60.9Low78.4Confident135 Ų13573.8 Ų73.859%0.59240%0.396SS*.  trans-72.199.2174.6-176.4-104.9000109.8T35 S39T35-F37 PolarHBondContact O-N 3.14Å; F37-S39 WeakPolarHBondContact CE1-OG 3.44Å
38I68.8Low78.4Confident128 Ų12875.2 Ų75.266%0.65640%0.401SS*.PPolyproline II helixtrans-101.8121.2168.4-56.2176.9000106.6T36 T40T36-I38 HydrophobicContact CG2-CG1 4.08Å; T36-I38 PolarHBondContact O-N 3.45Å; I38-T40 PolarHBondContact O-N 2.85Å
39S70.6Confident78.4Confident64 Ų6478.5 Ų78.545%0.44842%0.421SS..PPolyproline II helixtrans-65.4126.2175.5-66.70000109.4F37 I41F37-S39 WeakPolarHBondContact CE1-OG 3.44Å; S39-I41 PolarHBondContact O-N 2.82Å; S39-I41 VanDerWaalsContact O-N 3.16Å
40T66.1Low78.7Confident35 Ų3577.5 Ų77.522%0.21541%0.414CS..PPolyproline II helixtrans-61.8117.9174.3-44.90000109.3T22 I38 A65T22-T40 PolarHBondContact OG1-OG1 2.69Å; I38-T40 PolarHBondContact O-N 2.85Å; T40-A65 VanDerWaalsContact O-CB 3.27Å; T40-A65 WeakPolarHBondContact O-CB 3.17Å
41I67Low79Confident149 Ų14979.2 Ų79.276%0.76442%0.422SS*.  trans-91.5113172.1-58.8176.7000106.8S39S39-I41 PolarHBondContact O-N 2.82Å; S39-I41 VanDerWaalsContact O-N 3.16Å
42G69.2Low79.3Confident19 Ų1974.3 Ų74.320%0.19640%0.396CS..SBendtrans79.4-130.1-178.900000113.2A65G42-A65 WeakPolarHBondContact O-CB 3.31Å; G42-A65 PolarHBondContact O-N 2.7Å
43I76.7Confident79.8Confident42 Ų4278.2 Ų78.222%0.21541%0.411CS..EExtended strand (participates in β ladder)trans-134.2130.7-173.8-69.6171.3000108.8W62 D63 T64 I73 Y77I43-W62 HydrophobicContact CG2-CE3 3.65Å; I43-W62 HydrophobicContact CG2-CZ3 4.3Å; I43-D63 CarbonylContact C-O 3.47Å; I43-D63 VanDerWaalsContact CA-O 3.27Å; I43-D63 WeakPolarHBondContact CA-O 3.38Å; I43-D63 WeakPolarHBondContact CG2-O 3.49Å; I43-T64 HydrophobicContact CG1-CG2 4.47Å; I43-I73 HydrophobicContact CD1-CG2 3.77Å; I43-Y77 HydrophobicContact CD1-CD1 4.25Å; I43-Y77 HydrophobicContact CD1-CD2 3.28Å; I43-Y77 HydrophobicContact CD1-CE1 4.02Å; I43-Y77 HydrophobicContact CD1-CE2 3.01Å; I43-Y77 HydrophobicContact CD1-CG 3.9Å; I43-Y77 HydrophobicContact CG1-CE2 4.44Å; I43-Y77 HydrophobicContact CG2-CE1 4.19Å
44D83.2Confident80.5Confident56 Ų5677.5 Ų77.530%0.29942%0.424SS..EExtended strand (participates in β ladder)trans-104.8155.4173-166.114.6000110.1D63D44-D63 HydrophobicContact CB-CB 4.38Å; D44-D63 PolarHBondContact N-O 3.39Å; D44-D63 PolarHBondContact O-N 3.26Å
45F85.8Confident81.5Confident68 Ų6876.3 Ų76.330%0.29841%0.414SS..EExtended strand (participates in β ladder)trans-139.6126.5-172.9171.6-99.8000111I47 Q60 I61 W62F45-I47 HydrophobicContact CD1-CG1 4.42Å; F45-I47 HydrophobicContact CE1-CD1 3.62Å; F45-I47 HydrophobicContact CE1-CG1 3.41Å; F45-I47 VanDerWaalsContact CE1-CG1 3.41Å; F45-I47 HydrophobicContact CE2-CG1 4.4Å; F45-I47 HydrophobicContact CZ-CD1 3.68Å; F45-I47 HydrophobicContact CZ-CG1 3.4Å; F45-I47 VanDerWaalsContact CZ-CG1 3.4Å; F45-Q60 HydrophobicContact CE2-CB 3.71Å; F45-Q60 HydrophobicContact CE2-CG 3.87Å; F45-Q60 HydrophobicContact CZ-CB 4.13Å; F45-Q60 HydrophobicContact CZ-CG 3.75Å; F45-I61 WeakPolarHBondContact CA-O 3.24Å; F45-W62 HydrophobicContact CB-CE3 4.05Å; F45-W62 HydrophobicContact CB-CZ3 4.07Å; F45-W62 AromaticContact CD2-CD2 3.66Å; F45-W62 HydrophobicContact CD2-CD2 3.66Å; F45-W62 AromaticContact CD2-CE2 3.59Å; F45-W62 AromaticContact CD2-CE3 3.85Å; F45-W62 HydrophobicContact CD2-CE3 3.85Å; F45-W62 HydrophobicContact CD2-CG 4.24Å; F45-W62 HydrophobicContact CD2-CH2 4Å; F45-W62 AromaticContact CD2-CZ2 3.79Å; F45-W62 HydrophobicContact CD2-CZ2 3.79Å; F45-W62 HydrophobicContact CD2-CZ3 4.01Å; F45-W62 HydrophobicContact CE2-CD2 4.33Å; F45-W62 AromaticContact CE2-CE2 3.8Å; F45-W62 HydrophobicContact CE2-CH2 4.41Å; F45-W62 AromaticContact CE2-CZ2 3.87Å; F45-W62 HydrophobicContact CE2-CZ2 3.87Å; F45-W62 AromaticContact CE2-NE1 3.98Å; F45-W62 HydrophobicContact CG-CE3 4.34Å; F45-W62 HydrophobicContact CG-CH2 4.44Å; F45-W62 HydrophobicContact CG-CZ3 4.26Å
46K90.9Very high82.9Confident57 Ų5775.7 Ų75.725%0.24840%0.401CS..EExtended strand (participates in β ladder)trans-126.7149.4174.7-65.8-76.2179168.20111.1L25 E30 I61L25-K46 HydrophobicContact CD1-CB 3.95Å; L25-K46 HydrophobicContact CD1-CG 4.24Å; L25-K46 HydrophobicContact CD2-CB 4.19Å; L25-K46 HydrophobicContact CD2-CG 3.82Å; L25-K46 HydrophobicContact CG-CB 4.27Å; L25-K46 HydrophobicContact CG-CG 4Å; E30-K46 WeakPolarHBondContact OE1-CE 3.47Å; E30-K46 IonicContact OE1-NZ 2.83Å; E30-K46 PolarHBondContact OE1-NZ 3.08Å; K46-I61 PolarHBondContact N-O 3.02Å; K46-I61 PolarHBondContact O-N 3.43Å
47I93.4Very high84.3Confident80 Ų8071.4 Ų71.441%0.4138%0.375SS..EExtended strand (participates in β ladder)trans-115.8125.5172.6-58.7-178.1000108.7F45 K58 L59 Q60F45-I47 HydrophobicContact CD1-CG1 4.42Å; F45-I47 HydrophobicContact CE1-CD1 3.62Å; F45-I47 HydrophobicContact CE1-CG1 3.41Å; F45-I47 VanDerWaalsContact CE1-CG1 3.41Å; F45-I47 HydrophobicContact CE2-CG1 4.4Å; F45-I47 HydrophobicContact CZ-CD1 3.68Å; F45-I47 HydrophobicContact CZ-CG1 3.4Å; F45-I47 VanDerWaalsContact CZ-CG1 3.4Å; I47-K58 HydrophobicContact CG2-CD 3.77Å; I47-K58 HydrophobicContact CG2-CG 3.52Å; I47-L59 VanDerWaalsContact CA-O 3.27Å; I47-L59 WeakPolarHBondContact CA-O 3.44Å; I47-Q60 HydrophobicContact CG1-CG 4.33Å
48R94Very high86Confident69 Ų6967.4 Ų67.426%0.2636%0.357SS..EExtended strand (participates in β ladder)trans-126.4131.7167.8-175.8170.4174.4-154.2-8.5108.8F28 V50 L59 E159F28-R48 HydrophobicContact CE1-CB 4.01Å; F28-R48 HydrophobicContact CE1-CG 4.19Å; F28-R48 VanDerWaalsContact O-CD 3.24Å; F28-R48 WeakPolarHBondContact O-CD 3.28Å; F28-R48 PolarHBondContact O-NH1 2.92Å; R48-V50 HydrophobicContact CG-CG1 4.13Å; R48-L59 PolarHBondContact N-O 3.08Å; R48-L59 VanDerWaalsContact N-O 3.09Å; R48-L59 WeakPolarHBondContact O-CA 3.37Å; R48-L59 WeakPolarHBondContact O-CB 3.47Å; R48-L59 PolarHBondContact O-N 2.81Å; R48-E159 IonicContact CZ-OE1 3.82Å; R48-E159 IonicContact NH1-OE1 2.74Å; R48-E159 PolarHBondContact NH1-OE1 3.01Å; R48-E159 IonicContact NH2-OE1 2.81Å; R48-E159 PolarHBondContact NH2-OE1 2.83Å
49T94.9Very high87.3Confident73 Ų7361.3 Ų61.345%0.44833%0.326SS..EExtended strand (participates in β ladder)trans-94.3127.5170.9-53.80000107.9K56 I57T49-K56 HydrophobicContact CG2-CB 4.45Å; T49-I57 CarbonylContact C-O 3.59Å; T49-I57 WeakPolarHBondContact CA-O 3.25Å
50V95Very high88.5Confident11 Ų1160 Ų607%0.06731%0.313CS..EExtended strand (participates in β ladder)trans-119.3156.3176.9-59.40000109.4F28 R48 I57 L59 L163F28-V50 HydrophobicContact CZ-CG1 3.99Å; R48-V50 HydrophobicContact CG-CG1 4.13Å; V50-I57 HydrophobicContact CG2-CB 4.06Å; V50-I57 PolarHBondContact N-O 3.35Å; V50-I57 PolarHBondContact O-N 3Å; V50-L59 HydrophobicContact CG1-CD1 4.06Å; V50-L59 HydrophobicContact CG2-CD1 3.91Å; V50-L59 HydrophobicContact CG2-CG 4.1Å; V50-L163 HydrophobicContact CB-CD2 4Å; V50-L163 HydrophobicContact CG1-CD2 4.08Å; V50-L163 HydrophobicContact CG2-CD2 3.98Å
51E94.1Very high89.9Confident138 Ų13858.4 Ų58.465%0.64530%0.303SS*.EExtended strand (participates in β ladder)trans-105.8127.5171-169170.3157.600108.9K55E51-K55 WeakPolarHBondContact CA-O 3.4Å
52L93.1Very high91.1Very high8 Ų854.4 Ų54.44%0.04228%0.278CS..EExtended strand (participates in β ladder)trans-144.4122.8-175-175.2156.2000107.7G54 K55 I57 A166 R167 M170L52-G54 PolarHBondContact O-N 3.01Å; L52-K55 PolarHBondContact N-O 3.44Å; L52-K55 WeakPolarHBondContact O-CA 3.41Å; L52-K55 WeakPolarHBondContact O-CB 3.47Å; L52-K55 PolarHBondContact O-N 2.99Å; L52-I57 HydrophobicContact CB-CD1 3.74Å; L52-I57 HydrophobicContact CB-CG1 4.44Å; L52-I57 HydrophobicContact CD1-CD1 4.16Å; L52-I57 HydrophobicContact CD2-CD1 4.01Å; L52-I57 HydrophobicContact CG-CD1 4.22Å; L52-A166 HydrophobicContact CD1-CB 3.88Å; L52-R167 HydrophobicContact CD1-CB 4.33Å; L52-R167 HydrophobicContact CD1-CG 3.44Å; L52-R167 VanDerWaalsContact CD1-CG 3.44Å; L52-R167 HydrophobicContact CD2-CG 3.89Å; L52-R167 HydrophobicContact CG-CG 3.83Å; L52-M170 HydrophobicContact CD2-SD 3.51Å; L52-M170 VanDerWaalsContact CD2-SD 3.51Å
53D89.3Confident92.1Very high125 Ų12553.5 Ų53.567%0.66827%0.269SS*.THydrogen-bonded Turntrans50.440.7-176.7-55.1-28.7000113.7K55 M170D53-K55 PolarHBondContact O-N 2.95Å; D53-M170 HydrophobicContact CB-CE 4.25Å
54G90.7Very high92.4Very high58 Ų5851.5 Ų51.560%0.59826%0.259SS*.THydrogen-bonded Turntrans70.412.2-178.100000114.6L52L52-G54 PolarHBondContact O-N 3.01Å
55K93.9Very high92.1Very high77 Ų7749 Ų4934%0.33525%0.246SC..EExtended strand (participates in β ladder)trans-110.9136.7176-60.9-62.9-172.4-177.10110.7D6 Y7 E51 L52 D53 I57 M170D6-K55 HydrophobicContact CB-CB 4.27Å; D6-K55 HydrophobicContact CB-CD 4.13Å; Y7-K55 HydrophobicContact CD2-CB 4.16Å; Y7-K55 HydrophobicContact CE2-CB 4.12Å; Y7-K55 HydrophobicContact CE2-CD 4.19Å; Y7-K55 HydrophobicContact CE2-CG 3.96Å; E51-K55 WeakPolarHBondContact CA-O 3.4Å; L52-K55 PolarHBondContact N-O 3.44Å; L52-K55 WeakPolarHBondContact O-CA 3.41Å; L52-K55 WeakPolarHBondContact O-CB 3.47Å; L52-K55 PolarHBondContact O-N 2.99Å; D53-K55 PolarHBondContact O-N 2.95Å; K55-I57 PolarHBondContact O-N 3.09Å; K55-M170 HydrophobicContact CB-CE 4.16Å; K55-M170 HydrophobicContact CG-CE 3.62Å
56K95.6Very high90.9Very high108 Ų10846.3 Ų46.347%0.4724%0.237SC..EExtended strand (participates in β ladder)trans-85.6112.7173.7-69.4-177-179.8-179.50109.4D6 Y7 T49D6-K56 PolarHBondContact N-O 3.21Å; D6-K56 PolarHBondContact OD2-N 3.28Å; Y7-K56 PolarHBondContact N-O 2.77Å; T49-K56 HydrophobicContact CG2-CB 4.45Å
57I96.6Very high89.5Confident0 Ų046.5 Ų46.50%024%0.239CC..EExtended strand (participates in β ladder)trans-109.3118.6-177.5-51.6-175.9000108.7Y7 F9 T49 V50 L52 K55 L59 M170Y7-I57 HydrophobicContact CD2-CG1 4.44Å; F9-I57 HydrophobicContact CB-CG2 4.43Å; F9-I57 HydrophobicContact CD1-CG2 4.44Å; F9-I57 HydrophobicContact CD2-CD1 4.47Å; F9-I57 HydrophobicContact CD2-CG2 3.43Å; F9-I57 VanDerWaalsContact CD2-CG2 3.43Å; F9-I57 HydrophobicContact CE2-CD1 3.74Å; F9-I57 HydrophobicContact CE2-CG2 3.66Å; F9-I57 HydrophobicContact CG-CG2 3.85Å; F9-I57 HydrophobicContact CZ-CD1 4.23Å; F9-I57 HydrophobicContact CZ-CG2 4.23Å; T49-I57 CarbonylContact C-O 3.59Å; T49-I57 WeakPolarHBondContact CA-O 3.25Å; V50-I57 HydrophobicContact CG2-CB 4.06Å; V50-I57 PolarHBondContact N-O 3.35Å; V50-I57 PolarHBondContact O-N 3Å; L52-I57 HydrophobicContact CB-CD1 3.74Å; L52-I57 HydrophobicContact CB-CG1 4.44Å; L52-I57 HydrophobicContact CD1-CD1 4.16Å; L52-I57 HydrophobicContact CD2-CD1 4.01Å; L52-I57 HydrophobicContact CG-CD1 4.22Å; K55-I57 PolarHBondContact O-N 3.09Å; I57-L59 HydrophobicContact CG2-CD2 3.74Å; I57-L59 HydrophobicContact CG2-CG 4.49Å; I57-L59 PolarHBondContact O-N 3.22Å; I57-M170 HydrophobicContact CD1-SD 3.89Å
58K96.4Very high87.7Confident51 Ų5149 Ų4922%0.22225%0.249CC..EExtended strand (participates in β ladder)trans-84.5111170-178.3172.8-89.9-172.30108.8Y5 Y7 L8 F9 I47Y5-K58 HydrophobicContact CD1-CB 4.26Å; Y5-K58 HydrophobicContact CD1-CD 4.17Å; Y5-K58 HydrophobicContact CD2-CB 4.2Å; Y5-K58 HydrophobicContact CE1-CD 4.15Å; Y5-K58 HydrophobicContact CG-CB 3.94Å; Y7-K58 PolarHBondContact O-N 3.2Å; L8-K58 WeakPolarHBondContact CA-O 3.49Å; L8-K58 HydrophobicContact CD1-CB 3.85Å; L8-K58 HydrophobicContact CD1-CD 3.77Å; L8-K58 HydrophobicContact CD1-CG 3.68Å; F9-K58 PolarHBondContact N-O 2.66Å; I47-K58 HydrophobicContact CG2-CD 3.77Å; I47-K58 HydrophobicContact CG2-CG 3.52Å
59L96.9Very high86Confident0 Ų054.2 Ų54.20%027%0.269CS..EExtended strand (participates in β ladder)trans-88126173.8-56.4179.4000109.6F9 L11 F28 I47 R48 V50 I57 I61 A166F9-L59 HydrophobicContact CB-CD2 3.9Å; F9-L59 HydrophobicContact CD2-CD2 4.08Å; F9-L59 HydrophobicContact CG-CD2 4.44Å; L11-L59 HydrophobicContact CD1-CD1 4.42Å; L11-L59 HydrophobicContact CD1-CD2 4.29Å; F28-L59 HydrophobicContact CE1-CD1 3.91Å; F28-L59 HydrophobicContact CZ-CD1 3.78Å; I47-L59 VanDerWaalsContact CA-O 3.27Å; I47-L59 WeakPolarHBondContact CA-O 3.44Å; R48-L59 PolarHBondContact N-O 3.08Å; R48-L59 VanDerWaalsContact N-O 3.09Å; R48-L59 WeakPolarHBondContact O-CA 3.37Å; R48-L59 WeakPolarHBondContact O-CB 3.47Å; R48-L59 PolarHBondContact O-N 2.81Å; V50-L59 HydrophobicContact CG1-CD1 4.06Å; V50-L59 HydrophobicContact CG2-CD1 3.91Å; V50-L59 HydrophobicContact CG2-CG 4.1Å; I57-L59 HydrophobicContact CG2-CD2 3.74Å; I57-L59 HydrophobicContact CG2-CG 4.49Å; I57-L59 PolarHBondContact O-N 3.22Å; L59-I61 HydrophobicContact CB-CD1 4.33Å; L59-I61 HydrophobicContact CB-CG1 4.15Å; L59-A166 HydrophobicContact CD2-CB 4.14Å
60Q95.6Very high84.2Confident37 Ų3753.5 Ų53.517%0.17326%0.259CS..EExtended strand (participates in β ladder)trans-105.3104.8171.2-81.3-168-21.200107.8L8 F9 K10 L11 F45 I47L8-Q60 HydrophobicContact CD1-CG 3.75Å; F9-Q60 PolarHBondContact O-N 2.68Å; K10-Q60 CarbonylContact C-O 3.59Å; K10-Q60 WeakPolarHBondContact CA-O 3.07Å; K10-Q60 HydrophobicContact CG-CB 4.19Å; L11-Q60 PolarHBondContact N-O 3.23Å; F45-Q60 HydrophobicContact CE2-CB 3.71Å; F45-Q60 HydrophobicContact CE2-CG 3.87Å; F45-Q60 HydrophobicContact CZ-CB 4.13Å; F45-Q60 HydrophobicContact CZ-CG 3.75Å; I47-Q60 HydrophobicContact CG1-CG 4.33Å
61I95Very high82.4Confident0 Ų057.1 Ų57.10%027%0.272CS..EExtended strand (participates in β ladder)trans-110.3121.5-171.4-49.6168.5000109L11 L13 L25 F28 F45 K46 L59 F162L11-I61 HydrophobicContact CB-CG1 4.26Å; L11-I61 HydrophobicContact CB-CG2 4.39Å; L11-I61 HydrophobicContact CD1-CG1 4.3Å; L11-I61 WeakPolarHBondContact O-CA 3.36Å; L13-I61 HydrophobicContact CD1-CG2 4.23Å; L13-I61 HydrophobicContact CG-CG2 4.08Å; L25-I61 HydrophobicContact CD1-CB 3.75Å; L25-I61 HydrophobicContact CD1-CD1 3.92Å; L25-I61 HydrophobicContact CD1-CG1 4.45Å; L25-I61 HydrophobicContact CD1-CG2 3.6Å; F28-I61 HydrophobicContact CD1-CD1 3.55Å; F28-I61 HydrophobicContact CE1-CD1 3.54Å; F45-I61 WeakPolarHBondContact CA-O 3.24Å; K46-I61 PolarHBondContact N-O 3.02Å; K46-I61 PolarHBondContact O-N 3.43Å; L59-I61 HydrophobicContact CB-CD1 4.33Å; L59-I61 HydrophobicContact CB-CG1 4.15Å; I61-F162 HydrophobicContact CD1-CD1 3.97Å; I61-F162 HydrophobicContact CD1-CE1 3.83Å; I61-F162 HydrophobicContact CG2-CE1 4.04Å
62W92.7Very high80.7Confident65 Ų6556.3 Ų56.325%0.24628%0.276CS..EExtended strand (participates in β ladder)trans-100.6116.9178.2-61.790000109.3L11 L12 L13 I43 F45 Y77L11-W62 PolarHBondContact O-N 2.91Å; L12-W62 HydrophobicContact CD1-CB 3.6Å; L13-W62 PolarHBondContact N-O 3.18Å; I43-W62 HydrophobicContact CG2-CE3 3.65Å; I43-W62 HydrophobicContact CG2-CZ3 4.3Å; F45-W62 HydrophobicContact CB-CE3 4.05Å; F45-W62 HydrophobicContact CB-CZ3 4.07Å; F45-W62 AromaticContact CD2-CD2 3.66Å; F45-W62 HydrophobicContact CD2-CD2 3.66Å; F45-W62 AromaticContact CD2-CE2 3.59Å; F45-W62 AromaticContact CD2-CE3 3.85Å; F45-W62 HydrophobicContact CD2-CE3 3.85Å; F45-W62 HydrophobicContact CD2-CG 4.24Å; F45-W62 HydrophobicContact CD2-CH2 4Å; F45-W62 AromaticContact CD2-CZ2 3.79Å; F45-W62 HydrophobicContact CD2-CZ2 3.79Å; F45-W62 HydrophobicContact CD2-CZ3 4.01Å; F45-W62 HydrophobicContact CE2-CD2 4.33Å; F45-W62 AromaticContact CE2-CE2 3.8Å; F45-W62 HydrophobicContact CE2-CH2 4.41Å; F45-W62 AromaticContact CE2-CZ2 3.87Å; F45-W62 HydrophobicContact CE2-CZ2 3.87Å; F45-W62 AromaticContact CE2-NE1 3.98Å; F45-W62 HydrophobicContact CG-CE3 4.34Å; F45-W62 HydrophobicContact CG-CH2 4.44Å; F45-W62 HydrophobicContact CG-CZ3 4.26Å; W62-Y77 AromaticContact CD2-CD1 3.88Å; W62-Y77 HydrophobicContact CD2-CD1 3.88Å; W62-Y77 HydrophobicContact CD2-CE1 4.14Å; W62-Y77 AromaticContact CE3-CD1 3.7Å; W62-Y77 HydrophobicContact CE3-CD1 3.7Å; W62-Y77 AromaticContact CE3-CE1 3.51Å; W62-Y77 HydrophobicContact CE3-CE1 3.51Å; W62-Y77 HydrophobicContact CG-CD1 4.4Å; W62-Y77 HydrophobicContact CH2-CE1 4.01Å; W62-Y77 HydrophobicContact CZ3-CD1 4.05Å; W62-Y77 AromaticContact CZ3-CE1 3.44Å; W62-Y77 HydrophobicContact CZ3-CE1 3.44Å; W62-Y77 VanDerWaalsContact CZ3-CE1 3.44Å
63D90Very high79.1Confident0 Ų059.6 Ų59.60%029%0.293CS..EExtended strand (participates in β ladder)trans-94.1129.9171.2179.543000110.2K21 T22 L25 I43 D44K21-D63 WeakPolarHBondContact CB-OD1 3.43Å; T22-D63 WeakPolarHBondContact CA-OD2 3.46Å; T22-D63 VanDerWaalsContact CB-OD2 3.29Å; T22-D63 WeakPolarHBondContact CB-OD2 3.44Å; T22-D63 PolarHBondContact N-OD1 3.01Å; T22-D63 PolarHBondContact OG1-OD2 3.27Å; L25-D63 HydrophobicContact CD2-CB 3.58Å; I43-D63 CarbonylContact C-O 3.47Å; I43-D63 VanDerWaalsContact CA-O 3.27Å; I43-D63 WeakPolarHBondContact CA-O 3.38Å; I43-D63 WeakPolarHBondContact CG2-O 3.49Å; D44-D63 HydrophobicContact CB-CB 4.38Å; D44-D63 PolarHBondContact N-O 3.39Å; D44-D63 PolarHBondContact O-N 3.26Å
64T84.3Confident78Confident0 Ų053.8 Ų53.80%026%0.262CS..EExtended strand (participates in β ladder)trans-108.3141.5-173.765.20000111.5L12 L13 K21 I43 G66 T74L12-T64 HydrophobicContact CD1-CG2 3.44Å; L12-T64 VanDerWaalsContact CD1-CG2 3.44Å; L12-T64 HydrophobicContact CG-CG2 4.26Å; L13-T64 WeakPolarHBondContact O-CG2 3.29Å; L13-T64 PolarHBondContact O-OG1 3.44Å; K21-T64 WeakPolarHBondContact CE-O 3.18Å; I43-T64 HydrophobicContact CG1-CG2 4.47Å; T64-G66 PolarHBondContact O-N 3.04Å; T64-T74 HydrophobicContact CG2-CG2 3.92Å
65A76.3Confident77.1Confident5 Ų553.8 Ų53.84%0.04125%0.251CS..  trans-58.9123.7165.800000109.7T40 G42 Q67 F70T40-A65 VanDerWaalsContact O-CB 3.27Å; T40-A65 WeakPolarHBondContact O-CB 3.17Å; G42-A65 WeakPolarHBondContact O-CB 3.31Å; G42-A65 PolarHBondContact O-N 2.7Å; A65-Q67 PolarHBondContact O-N 3.27Å; A65-F70 HydrophobicContact CB-CB 4.18Å; A65-F70 HydrophobicContact CB-CD2 3.89Å; A65-F70 HydrophobicContact CB-CG 4.32Å
66G61.2Low76.2Confident10 Ų1053.5 Ų53.510%0.10326%0.262CS..  trans-80.98177.700000114.3G15 S17 T64G15-G66 WeakPolarHBondContact O-CA 3.43Å; S17-G66 PolarHBondContact N-O 3.12Å; T64-G66 PolarHBondContact O-N 3.04Å
67Q60.6Low75.5Confident61 Ų6152 Ų5229%0.28525%0.254SS..  trans-81.7133.4-179-130-167.912.600110.4A65 R69 F70A65-Q67 PolarHBondContact O-N 3.27Å; Q67-R69 PolarHBondContact O-N 3.22Å; Q67-R69 VanDerWaalsContact OE1-NE 3.1Å; Q67-F70 HydrophobicContact CB-CD2 3.81Å; Q67-F70 HydrophobicContact CB-CE2 4.3Å; Q67-F70 PolarHBondContact O-N 3.14Å
68E56.4Low75Confident134 Ų13452.2 Ų52.263%0.62626%0.255SS*.G310 helixtrans-55.8-30.5-178.858.9-82.5167.400113.5F70 R71E68-F70 PolarHBondContact O-N 3.3Å; E68-F70 VanDerWaalsContact O-N 3.15Å; E68-R71 PolarHBondContact O-N 3Å
69R57.8Low74.3Confident178 Ų17860.3 Ų60.367%0.67228%0.284SS*.G310 helixtrans-62.2-19.4177.3-62.5-172.2-63.4-179.71.8114.1Q67Q67-R69 PolarHBondContact O-N 3.22Å; Q67-R69 VanDerWaalsContact OE1-NE 3.1Å
70F57.8Low73.9Confident58 Ų5862.3 Ų62.325%0.25431%0.305SS..G310 helixtrans-108.75-178.5-59.8-62.9000113.7A65 Q67 E68 T72 I73A65-F70 HydrophobicContact CB-CB 4.18Å; A65-F70 HydrophobicContact CB-CD2 3.89Å; A65-F70 HydrophobicContact CB-CG 4.32Å; Q67-F70 HydrophobicContact CB-CD2 3.81Å; Q67-F70 HydrophobicContact CB-CE2 4.3Å; Q67-F70 PolarHBondContact O-N 3.14Å; E68-F70 PolarHBondContact O-N 3.3Å; E68-F70 VanDerWaalsContact O-N 3.15Å; F70-T72 PolarHBondContact O-N 3.39Å; F70-T72 VanDerWaalsContact O-N 3.16Å; F70-I73 HydrophobicContact CB-CD1 4.41Å; F70-I73 HydrophobicContact CD1-CD1 3.75Å; F70-I73 WeakPolarHBondContact O-CB 3.25Å; F70-I73 PolarHBondContact O-N 3.28Å
71R56.9Low73.8Confident87 Ų8761 Ų6133%0.32830%0.3SS..Hα-helixtrans-56.1-33.1-179.8-81.6-179.8170-169.6-1.1113.6E68 I73 T74 W102E68-R71 PolarHBondContact O-N 3Å; R71-I73 VanDerWaalsContact C-N 3.26Å; R71-I73 PolarHBondContact O-N 3.08Å; R71-T74 WeakPolarHBondContact O-CB 3.3Å; R71-T74 PolarHBondContact O-N 3.17Å; R71-T74 PolarHBondContact O-OG1 3Å; R71-W102 HydrophobicContact CG-CH2 4.25Å
72T57.5Low73.9Confident120 Ų12063.4 Ų63.474%0.73631%0.312SS*.Hα-helixtrans-64.2-30.6176.1-480000112.6F70 T74 T75F70-T72 PolarHBondContact O-N 3.39Å; F70-T72 VanDerWaalsContact O-N 3.16Å; T72-T74 VanDerWaalsContact C-N 3.31Å; T72-T75 PolarHBondContact O-OG1 2.71Å
73I59.9Low74.1Confident77 Ų7760.3 Ų60.340%0.39530%0.301SS..Hα-helixtrans-71.4-32.1177.8-57.2-179.2000109.9I43 F70 R71 T75 Y77I43-I73 HydrophobicContact CD1-CG2 3.77Å; F70-I73 HydrophobicContact CB-CD1 4.41Å; F70-I73 HydrophobicContact CD1-CD1 3.75Å; F70-I73 WeakPolarHBondContact O-CB 3.25Å; F70-I73 PolarHBondContact O-N 3.28Å; R71-I73 VanDerWaalsContact C-N 3.26Å; R71-I73 PolarHBondContact O-N 3.08Å; I73-T75 PolarHBondContact O-N 2.71Å; I73-Y77 HydrophobicContact CG2-CE2 4.17Å; I73-Y77 VanDerWaalsContact O-CD2 3.22Å; I73-Y77 WeakPolarHBondContact O-CD2 3.42Å; I73-Y77 WeakPolarHBondContact O-CE2 3.31Å
74T66.3Low74.5Confident4 Ų460.3 Ų60.33%0.02530%0.301CS..Hα-helixtrans-67.9-32.6-175.7-41.70000113.2I14 T64 R71 T72 A76 Y77 Y78I14-T74 HydrophobicContact CG2-CG2 4.43Å; T64-T74 HydrophobicContact CG2-CG2 3.92Å; R71-T74 WeakPolarHBondContact O-CB 3.3Å; R71-T74 PolarHBondContact O-N 3.17Å; R71-T74 PolarHBondContact O-OG1 3Å; T72-T74 VanDerWaalsContact C-N 3.31Å; T74-A76 VanDerWaalsContact C-N 3.26Å; T74-A76 PolarHBondContact O-N 3.36Å; T74-Y77 PolarHBondContact O-N 2.79Å; T74-Y78 HydrophobicContact CG2-CD2 4.28Å; T74-Y78 HydrophobicContact CG2-CE2 3.53Å; T74-Y78 WeakPolarHBondContact O-CD2 3.5Å; T74-Y78 PolarHBondContact O-N 2.85Å
75T71.4Confident75.1Confident58 Ų5860.3 Ų60.336%0.35630%0.301SS..Hα-helixtrans-55.8-38.1-174.758.10000112.8T72 I73 Y77 Y78T72-T75 PolarHBondContact O-OG1 2.71Å; I73-T75 PolarHBondContact O-N 2.71Å; T75-Y77 PolarHBondContact O-N 2.61Å; T75-Y78 PolarHBondContact O-N 2.92Å
76A75.1Confident76.1Confident70 Ų7060 Ų6058%0.57930%0.299SS*.Hα-helixtrans-62.6-26.4177.400000113.8T74T74-A76 VanDerWaalsContact C-N 3.26Å; T74-A76 PolarHBondContact O-N 3.36Å
77Y80.8Confident77.8Confident77 Ų7759.6 Ų59.630%0.30229%0.294SS..Hα-helixtrans-91.5-14.7-175.5-64.3-93.7000113.5I43 W62 I73 T74 T75 R79I43-Y77 HydrophobicContact CD1-CD1 4.25Å; I43-Y77 HydrophobicContact CD1-CD2 3.28Å; I43-Y77 HydrophobicContact CD1-CE1 4.02Å; I43-Y77 HydrophobicContact CD1-CE2 3.01Å; I43-Y77 HydrophobicContact CD1-CG 3.9Å; I43-Y77 HydrophobicContact CG1-CE2 4.44Å; I43-Y77 HydrophobicContact CG2-CE1 4.19Å; W62-Y77 AromaticContact CD2-CD1 3.88Å; W62-Y77 HydrophobicContact CD2-CD1 3.88Å; W62-Y77 HydrophobicContact CD2-CE1 4.14Å; W62-Y77 AromaticContact CE3-CD1 3.7Å; W62-Y77 HydrophobicContact CE3-CD1 3.7Å; W62-Y77 AromaticContact CE3-CE1 3.51Å; W62-Y77 HydrophobicContact CE3-CE1 3.51Å; W62-Y77 HydrophobicContact CG-CD1 4.4Å; W62-Y77 HydrophobicContact CH2-CE1 4.01Å; W62-Y77 HydrophobicContact CZ3-CD1 4.05Å; W62-Y77 AromaticContact CZ3-CE1 3.44Å; W62-Y77 HydrophobicContact CZ3-CE1 3.44Å; W62-Y77 VanDerWaalsContact CZ3-CE1 3.44Å; I73-Y77 HydrophobicContact CG2-CE2 4.17Å; I73-Y77 VanDerWaalsContact O-CD2 3.22Å; I73-Y77 WeakPolarHBondContact O-CD2 3.42Å; I73-Y77 WeakPolarHBondContact O-CE2 3.31Å; T74-Y77 PolarHBondContact O-N 2.79Å; T75-Y77 PolarHBondContact O-N 2.61Å; Y77-R79 PolarHBondContact O-N 2.93Å
78Y85.3Confident79.6Confident4 Ų456.7 Ų56.72%0.01628%0.28CS..Hα-helixtrans-64.3-30.7167.1-70.2-92.9000110.7L12 I14 T74 T75 G80 A81 I84 I106 H109 A110L12-Y78 HydrophobicContact CD2-CD1 4.24Å; L12-Y78 HydrophobicContact CD2-CD2 4.44Å; L12-Y78 HydrophobicContact CD2-CE1 4.36Å; L12-Y78 HydrophobicContact CD2-CG 4.29Å; I14-Y78 HydrophobicContact CD1-CE1 4.25Å; T74-Y78 HydrophobicContact CG2-CD2 4.28Å; T74-Y78 HydrophobicContact CG2-CE2 3.53Å; T74-Y78 WeakPolarHBondContact O-CD2 3.5Å; T74-Y78 PolarHBondContact O-N 2.85Å; T75-Y78 PolarHBondContact O-N 2.92Å; Y78-G80 PolarHBondContact O-N 2.95Å; Y78-G80 VanDerWaalsContact O-N 3.15Å; Y78-A81 PolarHBondContact O-N 3.31Å; Y78-I84 HydrophobicContact CD1-CD1 3.72Å; Y78-I84 HydrophobicContact CE1-CD1 4.15Å; Y78-I106 HydrophobicContact CD1-CG1 4.27Å; Y78-I106 HydrophobicContact CE1-CB 4.39Å; Y78-I106 HydrophobicContact CE1-CG1 3.69Å; Y78-H109 HydrophobicContact CD2-CB 4.3Å; Y78-H109 HydrophobicContact CG-CB 4.09Å; Y78-A110 HydrophobicContact CD1-CB 4.13Å
79R83.3Confident81.6Confident221 Ų22150.7 Ų50.783%0.83425%0.252SS*.THydrogen-bonded Turntrans-68.6113.2178.9-170.4174.6-178.9156.41.2110.8Y77 A81Y77-R79 PolarHBondContact O-N 2.93Å; R79-A81 VanDerWaalsContact C-N 3.32Å
80G87.3Confident83.6Confident43 Ų4342.2 Ų42.244%0.44322%0.22SC..THydrogen-bonded Turntrans82.27.2179.100000114.3K10 Y78K10-G80 WeakPolarHBondContact CD-O 3.27Å; Y78-G80 PolarHBondContact O-N 2.95Å; Y78-G80 VanDerWaalsContact O-N 3.15Å
81A94.1Very high85.5Confident8 Ų840.6 Ų40.67%0.06622%0.215CC..  trans-63.5132.3161.100000108.8L12 Y78 R79 I84 V114L12-A81 HydrophobicContact CB-CB 4.36Å; Y78-A81 PolarHBondContact O-N 3.31Å; R79-A81 VanDerWaalsContact C-N 3.32Å; A81-I84 HydrophobicContact CB-CD1 4.33Å; A81-I84 HydrophobicContact CB-CG1 4.05Å; A81-V114 HydrophobicContact CB-CG2 4.42Å; A81-V114 WeakPolarHBondContact O-CG2 3.3Å
82M96.7Very high87.5Confident51 Ų5139.5 Ų39.525%0.25122%0.216SC..SBendtrans-97.6-29.5177.2-61175.171.700110.8F9 K10 E115 I169 L173F9-M82 HydrophobicContact CB-SD 4.38Å; F9-M82 HydrophobicContact CD1-CE 3.6Å; F9-M82 HydrophobicContact CD1-SD 3.97Å; F9-M82 HydrophobicContact CE1-CE 4.01Å; F9-M82 HydrophobicContact CG-CE 4.49Å; K10-M82 PolarHBondContact O-N 2.55Å; M82-E115 PolarHBondContact O-N 3.08Å; M82-I169 HydrophobicContact CB-CD1 4.09Å; M82-I169 HydrophobicContact CB-CG1 4.46Å; M82-I169 HydrophobicContact CB-CG2 4.06Å; M82-I169 HydrophobicContact CE-CG2 3.67Å; M82-L173 HydrophobicContact CE-CD1 3.76Å; M82-L173 HydrophobicContact CE-CD2 4.24Å; M82-L173 HydrophobicContact CE-CG 4.37Å
83G97.4Very high89.4Confident0 Ų037.5 Ų37.50%020%0.198CC..EExtended strand (participates in β ladder)trans-137.2146.4170.500000111.9K10 L11 L12 E115K10-G83 PolarHBondContact O-N 3.33Å; L11-G83 CarbonylContact C-O 3.51Å; L11-G83 VanDerWaalsContact CA-O 3.29Å; L11-G83 WeakPolarHBondContact CA-O 3.32Å; L12-G83 PolarHBondContact N-O 3.02Å; G83-E115 CarbonylContact C-O 3.35Å; G83-E115 VanDerWaalsContact CA-O 3.24Å; G83-E115 WeakPolarHBondContact CA-O 3.46Å
84I97.1Very high91.1Very high0 Ų040.9 Ų40.90%021%0.21CC..EExtended strand (participates in β ladder)trans-128.4127.7176.8-60.2175.6000109L12 I14 Y78 A81 I106 A110 V114 E115 K116 M117L12-I84 HydrophobicContact CB-CG1 4.21Å; L12-I84 WeakPolarHBondContact O-CA 3.29Å; I14-I84 HydrophobicContact CD1-CG2 3.75Å; I14-I84 HydrophobicContact CG1-CG2 3.84Å; I14-I84 HydrophobicContact CG2-CG2 4.34Å; Y78-I84 HydrophobicContact CD1-CD1 3.72Å; Y78-I84 HydrophobicContact CE1-CD1 4.15Å; A81-I84 HydrophobicContact CB-CD1 4.33Å; A81-I84 HydrophobicContact CB-CG1 4.05Å; I84-I106 HydrophobicContact CB-CD1 4.31Å; I84-I106 HydrophobicContact CD1-CD1 4.36Å; I84-I106 HydrophobicContact CD1-CG1 3.94Å; I84-I106 HydrophobicContact CD1-CG2 3.9Å; I84-I106 HydrophobicContact CG2-CD1 3.77Å; I84-I106 HydrophobicContact CG2-CG1 4.21Å; I84-A110 HydrophobicContact CD1-CB 4.02Å; I84-V114 HydrophobicContact CB-CG2 4.49Å; I84-V114 HydrophobicContact CD1-CG1 4.27Å; I84-V114 HydrophobicContact CD1-CG2 3.74Å; I84-V114 HydrophobicContact CG1-CG2 3.64Å; I84-E115 PolarHBondContact N-O 3.43Å; I84-K116 WeakPolarHBondContact O-CA 3.41Å; I84-M117 PolarHBondContact O-N 3.38Å
85M97.8Very high92.6Very high0 Ų040.7 Ų40.70%021%0.209CC..EExtended strand (participates in β ladder)trans-104.6119.8173.5-52-178.395.600109.4L12 L13 I14 M117 L119 G161 F162 L165L12-M85 PolarHBondContact O-N 2.9Å; L13-M85 HydrophobicContact CD2-CB 3.66Å; L13-M85 HydrophobicContact CD2-CG 3.97Å; L13-M85 HydrophobicContact CD2-SD 3.69Å; I14-M85 PolarHBondContact N-O 2.78Å; M85-M117 CarbonylContact C-O 3.54Å; M85-M117 WeakPolarHBondContact CA-O 3.37Å; M85-M117 HydrophobicContact CE-SD 3.94Å; M85-L119 HydrophobicContact CB-CD1 4.4Å; M85-L119 HydrophobicContact CE-CD1 3.64Å; M85-L119 HydrophobicContact CE-CD2 4.06Å; M85-L119 HydrophobicContact CE-CG 4.11Å; M85-L119 HydrophobicContact SD-CD1 4.31Å; M85-G161 VanDerWaalsContact CE-C 3.44Å; M85-G161 WeakPolarHBondContact CE-O 3.39Å; M85-F162 HydrophobicContact CE-CD1 4.44Å; M85-F162 HydrophobicContact CE-CG 4.45Å; M85-F162 HydrophobicContact SD-CD1 3.64Å; M85-F162 HydrophobicContact SD-CE1 3.54Å; M85-F162 VanDerWaalsContact SD-CE1 3.54Å; M85-F162 HydrophobicContact SD-CG 4.2Å; M85-F162 HydrophobicContact SD-CZ 4.04Å; M85-L165 HydrophobicContact CG-CD2 3.39Å; M85-L165 HydrophobicContact SD-CD2 4.19Å
86L97Very high93.9Very high0 Ų038.2 Ų38.20%019%0.193CC..EExtended strand (participates in β ladder)trans-94.4116.2176.5-56.892.8000109.1I14 I99 W102 I103 I106 K116 M117 I118 L119I14-L86 HydrophobicContact CD1-CD2 4.18Å; I14-L86 HydrophobicContact CD1-CG 4Å; I14-L86 HydrophobicContact CG1-CB 4.41Å; I14-L86 HydrophobicContact CG1-CG 4.01Å; L86-I99 HydrophobicContact CB-CD1 3.93Å; L86-I99 HydrophobicContact CD2-CG2 4.19Å; L86-W102 HydrophobicContact CD2-CB 3.83Å; L86-I103 HydrophobicContact CD2-CG1 3.56Å; L86-I106 HydrophobicContact CD1-CD1 3.78Å; L86-I106 HydrophobicContact CD2-CD1 3.76Å; L86-I106 HydrophobicContact CG-CD1 3.9Å; L86-K116 HydrophobicContact CD1-CB 4.42Å; L86-M117 WeakPolarHBondContact CD1-O 3.24Å; L86-M117 PolarHBondContact N-O 3.3Å; L86-I118 HydrophobicContact CB-CG1 4.42Å; L86-I118 HydrophobicContact CD1-CG1 4.4Å; L86-I118 CarbonylContact O-C 3.6Å; L86-I118 WeakPolarHBondContact O-CA 3.43Å; L86-L119 PolarHBondContact O-N 3.06Å
87V98.1Very high94.9Very high0 Ų038.2 Ų38.20%018%0.184CC..EExtended strand (participates in β ladder)trans-109.1128.2-174.6-168.60000110.2I14 G15 V19 K21 L24 L119 N121I14-V87 PolarHBondContact O-N 3.12Å; G15-V87 WeakPolarHBondContact CA-O 3.37Å; V19-V87 HydrophobicContact CB-CG1 4.29Å; V19-V87 HydrophobicContact CG2-CB 3.91Å; V19-V87 HydrophobicContact CG2-CG1 3.84Å; K21-V87 HydrophobicContact CG-CB 4.01Å; K21-V87 HydrophobicContact CG-CG2 4.03Å; L24-V87 HydrophobicContact CD1-CG1 3.78Å; L24-V87 HydrophobicContact CD1-CG2 4.08Å; V87-L119 WeakPolarHBondContact CA-O 2.94Å; V87-L119 HydrophobicContact CG1-CB 4.45Å; V87-L119 HydrophobicContact CG2-CB 4.33Å; V87-L119 HydrophobicContact CG2-CD1 4.25Å; V87-N121 HydrophobicContact CG1-CB 3.81Å
88Y98.4Very high95.6Very high0 Ų036 Ų360%018%0.177CC..EExtended strand (participates in β ladder)trans-120.7167.1164.172.1-88.5000110.6I90 F96 I99 I118 L119 G120 N121 V131 F147Y88-I90 HydrophobicContact CE2-CG2 3.96Å; Y88-F96 HydrophobicContact CD1-CD2 4.16Å; Y88-F96 HydrophobicContact CD2-CB 3.82Å; Y88-F96 HydrophobicContact CD2-CD2 4.06Å; Y88-F96 HydrophobicContact CD2-CG 4.43Å; Y88-F96 AromaticContact CE1-CD2 3.92Å; Y88-F96 HydrophobicContact CE1-CD2 3.92Å; Y88-F96 HydrophobicContact CE1-CE2 4.46Å; Y88-F96 HydrophobicContact CE2-CB 4.26Å; Y88-F96 AromaticContact CE2-CD2 3.85Å; Y88-F96 HydrophobicContact CE2-CD2 3.85Å; Y88-F96 HydrophobicContact CE2-CG 4.46Å; Y88-F96 HydrophobicContact CG-CB 4.16Å; Y88-F96 HydrophobicContact CG-CD2 4.22Å; Y88-F96 AromaticContact CZ-CD2 3.77Å; Y88-I99 HydrophobicContact CD1-CD1 4.19Å; Y88-I99 HydrophobicContact CD1-CG1 4.01Å; Y88-I99 HydrophobicContact CG-CG1 4.33Å; Y88-I118 HydrophobicContact CD1-CG2 3.9Å; Y88-I118 HydrophobicContact CE1-CG2 3.7Å; Y88-L119 WeakPolarHBondContact CD1-O 3.38Å; Y88-L119 PolarHBondContact N-O 3.47Å; Y88-G120 VanDerWaalsContact CZ-CA 3.49Å; Y88-N121 WeakPolarHBondContact O-CB 3.44Å; Y88-N121 PolarHBondContact O-N 3.23Å; Y88-V131 HydrophobicContact CE2-CB 4.07Å; Y88-V131 HydrophobicContact CE2-CG1 3.81Å; Y88-V131 HydrophobicContact CE2-CG2 4.45Å; Y88-F147 AromaticContact CE1-CE2 3.9Å; Y88-F147 HydrophobicContact CE1-CE2 3.9Å; Y88-F147 VanDerWaalsContact OH-CE2 3.28Å; Y88-F147 WeakPolarHBondContact OH-CE2 3.05Å; Y88-F147 WeakPolarHBondContact OH-CZ 3.29Å
89D98.3Very high96.2Very high8 Ų835.8 Ų35.84%0.04318%0.176CC..EExtended strand (participates in β ladder)trans-103.7123176.2174.8-6.8000109.2V19 T91 N92 S95 K122V19-D89 HydrophobicContact CB-CB 4.27Å; V19-D89 HydrophobicContact CG1-CB 4.23Å; D89-T91 VanDerWaalsContact CG-OG1 3.23Å; D89-T91 PolarHBondContact O-N 3.08Å; D89-T91 VanDerWaalsContact O-N 3.09Å; D89-T91 WeakPolarHBondContact OD1-CA 3.33Å; D89-T91 WeakPolarHBondContact OD1-CB 3.46Å; D89-T91 PolarHBondContact OD1-N 2.81Å; D89-T91 PolarHBondContact OD1-OG1 3.44Å; D89-T91 PolarHBondContact OD2-OG1 2.8Å; D89-N92 HydrophobicContact CB-CB 4.07Å; D89-N92 PolarHBondContact O-N 2.9Å; D89-S95 PolarHBondContact N-OG 3.2Å; D89-S95 PolarHBondContact O-OG 2.87Å; D89-K122 WeakPolarHBondContact OD2-CD 3.47Å; D89-K122 WeakPolarHBondContact OD2-CE 3.17Å; D89-K122 IonicContact OD2-NZ 2.81Å; D89-K122 PolarHBondContact OD2-NZ 2.83Å
90I98.6Very high96.7Very high0 Ų029.5 Ų29.50%015%0.152CC..THydrogen-bonded Turntrans-63.2-17.6-178.865.5146.8000113.4Y88 N121 K122 C123 R129 Q130 V131Y88-I90 HydrophobicContact CE2-CG2 3.96Å; I90-N121 WeakPolarHBondContact CG1-O 3.46Å; I90-N121 PolarHBondContact N-O 3.36Å; I90-K122 WeakPolarHBondContact CD1-O 3.28Å; I90-K122 WeakPolarHBondContact CG1-O 3.45Å; I90-C123 HydrophobicContact CD1-CB 4.49Å; I90-R129 HydrophobicContact CD1-CB 4.25Å; I90-R129 HydrophobicContact CD1-CG 4.21Å; I90-R129 VanDerWaalsContact CD1-CZ 3.46Å; I90-Q130 PolarHBondContact O-N 2.78Å; I90-V131 PolarHBondContact O-N 2.92Å
91T98.3Very high97Very high24 Ų2430.1 Ų30.115%0.14715%0.146CC..THydrogen-bonded Turntrans-93.43.117872.50000112.9D89 M125 K128 Q130D89-T91 VanDerWaalsContact CG-OG1 3.23Å; D89-T91 PolarHBondContact O-N 3.08Å; D89-T91 VanDerWaalsContact O-N 3.09Å; D89-T91 WeakPolarHBondContact OD1-CA 3.33Å; D89-T91 WeakPolarHBondContact OD1-CB 3.46Å; D89-T91 PolarHBondContact OD1-N 2.81Å; D89-T91 PolarHBondContact OD1-OG1 3.44Å; D89-T91 PolarHBondContact OD2-OG1 2.8Å; T91-M125 HydrophobicContact CG2-CB 3.7Å; T91-M125 HydrophobicContact CG2-CE 4.31Å; T91-M125 HydrophobicContact CG2-SD 4.5Å; T91-K128 WeakPolarHBondContact CA-O 3.43Å; T91-K128 WeakPolarHBondContact CB-O 3.5Å; T91-K128 HydrophobicContact CG2-CB 3.88Å; T91-Q130 PolarHBondContact O-NE2 3.05Å; T91-Q130 VanDerWaalsContact O-NE2 3.14Å; T91-Q130 PolarHBondContact O-OE1 2.82Å
92N97.8Very high96.9Very high64 Ų6429.9 Ų29.934%0.34214%0.143SC..  trans-136.498.8-178.5-178.2-22.2000110.9D89 K94 S95D89-N92 HydrophobicContact CB-CB 4.07Å; D89-N92 PolarHBondContact O-N 2.9Å; N92-K94 VanDerWaalsContact C-N 3.31Å; N92-K94 PolarHBondContact O-N 2.98Å; N92-K94 WeakPolarHBondContact OD1-CB 3.19Å; N92-K94 PolarHBondContact OD1-N 2.84Å; N92-K94 VanDerWaalsContact OD1-N 3.17Å; N92-S95 WeakPolarHBondContact O-CB 3.45Å; N92-S95 PolarHBondContact O-N 2.67Å; N92-S95 VanDerWaalsContact O-N 3.12Å; N92-S95 PolarHBondContact O-OG 2.99Å; N92-S95 PolarHBondContact OD1-N 2.86Å
93E97.8Very high96.8Very high78 Ų7827.5 Ų27.536%0.36413%0.131SC..Hα-helixtrans-58.1-38.5-178.5-179158.7-135.100113.7S95 F96 D97 Q130 R135E93-S95 VanDerWaalsContact C-N 3.25Å; E93-S95 PolarHBondContact O-N 3.11Å; E93-F96 WeakPolarHBondContact O-CB 3.4Å; E93-F96 PolarHBondContact O-N 3.03Å; E93-D97 PolarHBondContact O-N 3.45Å; E93-Q130 HydrophobicContact CB-CB 4.34Å; E93-R135 IonicContact OE1-CZ 3.64Å; E93-R135 VanDerWaalsContact OE1-CZ 3.27Å; E93-R135 IonicContact OE1-NH1 2.77Å; E93-R135 PolarHBondContact OE1-NH1 2.81Å; E93-R135 IonicContact OE1-NH2 3.27Å; E93-R135 PolarHBondContact OE1-NH2 2.91Å
94K96.9Very high96.5Very high149 Ų14934 Ų3465%0.64816%0.156SC*.Hα-helixtrans-60-37.7178.4-177178.8179.1-179.40112N92 F96 D97 N98N92-K94 VanDerWaalsContact C-N 3.31Å; N92-K94 PolarHBondContact O-N 2.98Å; N92-K94 WeakPolarHBondContact OD1-CB 3.19Å; N92-K94 PolarHBondContact OD1-N 2.84Å; N92-K94 VanDerWaalsContact OD1-N 3.17Å; K94-F96 VanDerWaalsContact C-N 3.28Å; K94-F96 PolarHBondContact O-N 3.35Å; K94-D97 PolarHBondContact O-N 3.09Å; K94-N98 WeakPolarHBondContact O-CB 3.45Å; K94-N98 PolarHBondContact O-N 3.34Å; K94-N98 VanDerWaalsContact O-N 3.08Å; K94-N98 PolarHBondContact O-ND2 2.98Å
95S97.3Very high96.1Very high0 Ų035.8 Ų35.80%017%0.165CC..Hα-helixtrans-65.8-33177.976.80000112.4D89 N92 E93D89-S95 PolarHBondContact N-OG 3.2Å; D89-S95 PolarHBondContact O-OG 2.87Å; N92-S95 WeakPolarHBondContact O-CB 3.45Å; N92-S95 PolarHBondContact O-N 2.67Å; N92-S95 VanDerWaalsContact O-N 3.12Å; N92-S95 PolarHBondContact O-OG 2.99Å; N92-S95 PolarHBondContact OD1-N 2.86Å; E93-S95 VanDerWaalsContact C-N 3.25Å; E93-S95 PolarHBondContact O-N 3.11Å
96F98.4Very high95.8Very high6 Ų635.9 Ų35.93%0.02617%0.166CC..Hα-helixtrans-71.3-45.4174.5170.2-100.6000111.6Y88 E93 K94 N98 I99 V131 R135 L139Y88-F96 HydrophobicContact CD1-CD2 4.16Å; Y88-F96 HydrophobicContact CD2-CB 3.82Å; Y88-F96 HydrophobicContact CD2-CD2 4.06Å; Y88-F96 HydrophobicContact CD2-CG 4.43Å; Y88-F96 AromaticContact CE1-CD2 3.92Å; Y88-F96 HydrophobicContact CE1-CD2 3.92Å; Y88-F96 HydrophobicContact CE1-CE2 4.46Å; Y88-F96 HydrophobicContact CE2-CB 4.26Å; Y88-F96 AromaticContact CE2-CD2 3.85Å; Y88-F96 HydrophobicContact CE2-CD2 3.85Å; Y88-F96 HydrophobicContact CE2-CG 4.46Å; Y88-F96 HydrophobicContact CG-CB 4.16Å; Y88-F96 HydrophobicContact CG-CD2 4.22Å; Y88-F96 AromaticContact CZ-CD2 3.77Å; E93-F96 WeakPolarHBondContact O-CB 3.4Å; E93-F96 PolarHBondContact O-N 3.03Å; K94-F96 VanDerWaalsContact C-N 3.28Å; K94-F96 PolarHBondContact O-N 3.35Å; F96-N98 PolarHBondContact O-N 2.87Å; F96-I99 VanDerWaalsContact O-CB 3.24Å; F96-I99 WeakPolarHBondContact O-CB 3.48Å; F96-I99 WeakPolarHBondContact O-CG1 3.37Å; F96-I99 PolarHBondContact O-N 3.08Å; F96-V131 HydrophobicContact CB-CG1 4.29Å; F96-V131 HydrophobicContact CB-CG2 3.7Å; F96-V131 HydrophobicContact CD1-CG1 4.18Å; F96-V131 HydrophobicContact CD1-CG2 4.4Å; F96-V131 HydrophobicContact CD2-CG1 3.72Å; F96-V131 HydrophobicContact CE1-CG1 4.46Å; F96-V131 HydrophobicContact CE2-CG1 4.01Å; F96-V131 HydrophobicContact CG-CG1 3.79Å; F96-V131 HydrophobicContact CG-CG2 4.02Å; F96-V131 HydrophobicContact CZ-CG1 4.37Å; F96-R135 HydrophobicContact CZ-CB 4.09Å; F96-L139 HydrophobicContact CD2-CD2 4.19Å; F96-L139 HydrophobicContact CE2-CB 4.1Å; F96-L139 HydrophobicContact CE2-CD2 3.54Å; F96-L139 HydrophobicContact CE2-CG 4.41Å; F96-L139 HydrophobicContact CZ-CB 4.04Å; F96-L139 HydrophobicContact CZ-CD2 3.89Å; F96-L139 HydrophobicContact CZ-CG 4.45Å
97D96.9Very high95.6Very high70 Ų7041.6 Ų41.637%0.37419%0.192SC..Hα-helixtrans-61.3-35.3178.6-71.5-29.4000112.2E93 K94 I99 R100E93-D97 PolarHBondContact O-N 3.45Å; K94-D97 PolarHBondContact O-N 3.09Å; D97-I99 PolarHBondContact O-N 3.34Å; D97-R100 PolarHBondContact O-N 3.44Å; D97-R100 IonicContact OD1-NH1 3.39Å
98N95.7Very high95.2Very high30 Ų3048 Ų4816%0.1622%0.222CC..THydrogen-bonded Turntrans-67.4-15.1176.4-80.8-27.7000114.3D16 K94 F96 R100 N101 W102D16-N98 PolarHBondContact OD2-ND2 3.12Å; K94-N98 WeakPolarHBondContact O-CB 3.45Å; K94-N98 PolarHBondContact O-N 3.34Å; K94-N98 VanDerWaalsContact O-N 3.08Å; K94-N98 PolarHBondContact O-ND2 2.98Å; F96-N98 PolarHBondContact O-N 2.87Å; N98-R100 PolarHBondContact O-N 3.06Å; N98-N101 WeakPolarHBondContact O-CB 3.5Å; N98-N101 PolarHBondContact O-N 2.87Å; N98-N101 PolarHBondContact OD1-ND2 3.35Å; N98-W102 PolarHBondContact O-N 3.28Å
99I95.9Very high94.7Very high0 Ų051.9 Ų51.90%024%0.241CC..Hα-helixtrans-56-36.5175.2-66.9-68.4000111.2L86 Y88 F96 D97 N101 W102 I103 I118 L139L86-I99 HydrophobicContact CB-CD1 3.93Å; L86-I99 HydrophobicContact CD2-CG2 4.19Å; Y88-I99 HydrophobicContact CD1-CD1 4.19Å; Y88-I99 HydrophobicContact CD1-CG1 4.01Å; Y88-I99 HydrophobicContact CG-CG1 4.33Å; F96-I99 VanDerWaalsContact O-CB 3.24Å; F96-I99 WeakPolarHBondContact O-CB 3.48Å; F96-I99 WeakPolarHBondContact O-CG1 3.37Å; F96-I99 PolarHBondContact O-N 3.08Å; D97-I99 PolarHBondContact O-N 3.34Å; I99-N101 VanDerWaalsContact C-N 3.29Å; I99-N101 PolarHBondContact O-N 2.95Å; I99-W102 WeakPolarHBondContact O-CB 3.36Å; I99-W102 PolarHBondContact O-N 3.38Å; I99-W102 VanDerWaalsContact O-N 3.12Å; I99-I103 HydrophobicContact CG2-CD1 3.89Å; I99-I103 HydrophobicContact CG2-CG1 4.26Å; I99-I103 WeakPolarHBondContact O-CG1 3.5Å; I99-I103 PolarHBondContact O-N 3.44Å; I99-I118 HydrophobicContact CG2-CD1 4.16Å; I99-I118 HydrophobicContact CG2-CG1 4.47Å; I99-L139 HydrophobicContact CB-CD2 3.99Å; I99-L139 HydrophobicContact CG2-CD2 3.69Å
100R95Very high94.3Very high88 Ų8852.4 Ų52.433%0.33225%0.246SC..Hα-helixtrans-61.6-38.4176.8-63-175.7-177.884.8-0.6112.5D97 N98 I103 R104 L139 Y143D97-R100 PolarHBondContact O-N 3.44Å; D97-R100 IonicContact OD1-NH1 3.39Å; N98-R100 PolarHBondContact O-N 3.06Å; R100-I103 PolarHBondContact O-N 3.46Å; R100-R104 WeakPolarHBondContact O-CG 3.4Å; R100-R104 PolarHBondContact O-N 3.45Å; R100-R104 VanDerWaalsContact O-N 3.14Å; R100-L139 HydrophobicContact CG-CD1 4.2Å; R100-Y143 HydrophobicContact CG-CE2 4.26Å
101N92.7Very high93.9Very high57 Ų5755.2 Ų55.231%0.30527%0.266SS..Hα-helixtrans-69-39.4176-63-33000110.9N98 I99 I103 R104 N105N98-N101 WeakPolarHBondContact O-CB 3.5Å; N98-N101 PolarHBondContact O-N 2.87Å; N98-N101 PolarHBondContact OD1-ND2 3.35Å; I99-N101 VanDerWaalsContact C-N 3.29Å; I99-N101 PolarHBondContact O-N 2.95Å; N101-I103 VanDerWaalsContact C-N 3.35Å; N101-R104 PolarHBondContact O-N 3.26Å; N101-N105 VanDerWaalsContact O-CG 3.25Å; N101-N105 PolarHBondContact O-N 3.31Å; N101-N105 VanDerWaalsContact O-N 3.08Å; N101-N105 PolarHBondContact O-ND2 2.73Å; N101-N105 PolarHBondContact O-OD1 3.29Å
102W92.6Very high93.4Very high2 Ų259 Ų591%0.00830%0.299CS..Hα-helixtrans-63.7-38.7174.8-68.7116.1000112.5I14 D16 R71 L86 N98 I99 N105 I106I14-W102 HydrophobicContact CB-CE3 4.19Å; I14-W102 HydrophobicContact CB-CZ3 4.45Å; I14-W102 HydrophobicContact CD1-CB 3.94Å; I14-W102 HydrophobicContact CD1-CD2 4.44Å; I14-W102 HydrophobicContact CD1-CE3 4.02Å; I14-W102 HydrophobicContact CD1-CG 4.45Å; I14-W102 HydrophobicContact CG1-CE3 4.45Å; D16-W102 PolarHBondContact OD1-NE1 3.18Å; R71-W102 HydrophobicContact CG-CH2 4.25Å; L86-W102 HydrophobicContact CD2-CB 3.83Å; N98-W102 PolarHBondContact O-N 3.28Å; I99-W102 WeakPolarHBondContact O-CB 3.36Å; I99-W102 PolarHBondContact O-N 3.38Å; I99-W102 VanDerWaalsContact O-N 3.12Å; W102-N105 PolarHBondContact O-N 2.83Å; W102-I106 WeakPolarHBondContact O-CG1 3.39Å; W102-I106 PolarHBondContact O-N 2.83Å; W102-I106 VanDerWaalsContact O-N 3.09Å
103I93.7Very high93Very high1 Ų158.5 Ų58.51%0.00530%0.296CS..Hα-helixtrans-62.4-46.9174.8-68.2169.7000110.9L86 I99 R100 N101 N105 I106 E107 Y143 I145L86-I103 HydrophobicContact CD2-CG1 3.56Å; I99-I103 HydrophobicContact CG2-CD1 3.89Å; I99-I103 HydrophobicContact CG2-CG1 4.26Å; I99-I103 WeakPolarHBondContact O-CG1 3.5Å; I99-I103 PolarHBondContact O-N 3.44Å; R100-I103 PolarHBondContact O-N 3.46Å; N101-I103 VanDerWaalsContact C-N 3.35Å; I103-N105 VanDerWaalsContact C-N 3.3Å; I103-N105 PolarHBondContact O-N 3.23Å; I103-I106 WeakPolarHBondContact O-CA 3.47Å; I103-I106 WeakPolarHBondContact O-CB 3.43Å; I103-I106 PolarHBondContact O-N 2.88Å; I103-E107 HydrophobicContact CG2-CG 4.49Å; I103-E107 WeakPolarHBondContact O-CG 3.33Å; I103-E107 PolarHBondContact O-N 3.49Å; I103-Y143 HydrophobicContact CD1-CD1 3.97Å; I103-Y143 HydrophobicContact CD1-CD2 3.58Å; I103-Y143 HydrophobicContact CD1-CE1 4.17Å; I103-Y143 HydrophobicContact CD1-CE2 3.82Å; I103-Y143 HydrophobicContact CD1-CG 3.67Å; I103-Y143 HydrophobicContact CG2-CD1 3.8Å; I103-Y143 HydrophobicContact CG2-CE1 3.83Å; I103-I145 HydrophobicContact CD1-CD1 3.94Å; I103-I145 HydrophobicContact CG1-CD1 4.18Å
104R92Very high92.9Very high137 Ų13755.1 Ų55.152%0.51728%0.281SS..Hα-helixtrans-56.4-43.9175.6-70.6174.6-176.3170.9-0.3112R100 N101 I106 E107 E108R100-R104 WeakPolarHBondContact O-CG 3.4Å; R100-R104 PolarHBondContact O-N 3.45Å; R100-R104 VanDerWaalsContact O-N 3.14Å; N101-R104 PolarHBondContact O-N 3.26Å; R104-I106 VanDerWaalsContact C-N 3.28Å; R104-I106 PolarHBondContact O-N 2.99Å; R104-E107 WeakPolarHBondContact O-CB 3.34Å; R104-E107 PolarHBondContact O-N 3.37Å; R104-E107 VanDerWaalsContact O-N 3.11Å; R104-E108 WeakPolarHBondContact O-CG 3.42Å; R104-E108 PolarHBondContact O-N 3.11Å
105N89.1Confident92.9Very high37 Ų3750 Ų5020%0.19826%0.259CS..Hα-helixtrans-62-35.6176.7-65-17.1000112.5N101 W102 I103 H109N101-N105 VanDerWaalsContact O-CG 3.25Å; N101-N105 PolarHBondContact O-N 3.31Å; N101-N105 VanDerWaalsContact O-N 3.08Å; N101-N105 PolarHBondContact O-ND2 2.73Å; N101-N105 PolarHBondContact O-OD1 3.29Å; W102-N105 PolarHBondContact O-N 2.83Å; I103-N105 VanDerWaalsContact C-N 3.3Å; I103-N105 PolarHBondContact O-N 3.23Å; N105-H109 WeakPolarHBondContact O-CB 3.49Å; N105-H109 PolarHBondContact O-CD2 2.94Å; N105-H109 PolarHBondContact O-N 3.32Å; N105-H109 VanDerWaalsContact O-N 3.15Å
106I91.4Very high92.9Very high2 Ų252.4 Ų52.41%0.0127%0.27CS..Hα-helixtrans-64.7-45.9173.7-64.8166.1000109.9I14 Y78 I84 L86 W102 I103 R104 E108 H109 A110 V114 K116I14-I106 HydrophobicContact CD1-CD1 3.78Å; I14-I106 HydrophobicContact CD1-CG1 3.86Å; Y78-I106 HydrophobicContact CD1-CG1 4.27Å; Y78-I106 HydrophobicContact CE1-CB 4.39Å; Y78-I106 HydrophobicContact CE1-CG1 3.69Å; I84-I106 HydrophobicContact CB-CD1 4.31Å; I84-I106 HydrophobicContact CD1-CD1 4.36Å; I84-I106 HydrophobicContact CD1-CG1 3.94Å; I84-I106 HydrophobicContact CD1-CG2 3.9Å; I84-I106 HydrophobicContact CG2-CD1 3.77Å; I84-I106 HydrophobicContact CG2-CG1 4.21Å; L86-I106 HydrophobicContact CD1-CD1 3.78Å; L86-I106 HydrophobicContact CD2-CD1 3.76Å; L86-I106 HydrophobicContact CG-CD1 3.9Å; W102-I106 WeakPolarHBondContact O-CG1 3.39Å; W102-I106 PolarHBondContact O-N 2.83Å; W102-I106 VanDerWaalsContact O-N 3.09Å; I103-I106 WeakPolarHBondContact O-CA 3.47Å; I103-I106 WeakPolarHBondContact O-CB 3.43Å; I103-I106 PolarHBondContact O-N 2.88Å; R104-I106 VanDerWaalsContact C-N 3.28Å; R104-I106 PolarHBondContact O-N 2.99Å; I106-E108 VanDerWaalsContact C-N 3.27Å; I106-E108 PolarHBondContact O-N 3.01Å; I106-H109 PolarHBondContact O-N 3.45Å; I106-A110 HydrophobicContact CG2-CB 3.72Å; I106-A110 WeakPolarHBondContact O-CA 3.47Å; I106-A110 WeakPolarHBondContact O-CB 3.48Å; I106-A110 PolarHBondContact O-N 3.47Å; I106-V114 HydrophobicContact CG2-CG1 3.76Å; I106-K116 HydrophobicContact CG2-CD 4.31Å
107E91.5Very high92.9Very high120 Ų12052.1 Ų52.156%0.56127%0.269SS*.Hα-helixtrans-63.2-33.5-179.4-68.4170.4170.300112.5I103 R104I103-E107 HydrophobicContact CG2-CG 4.49Å; I103-E107 WeakPolarHBondContact O-CG 3.33Å; I103-E107 PolarHBondContact O-N 3.49Å; R104-E107 WeakPolarHBondContact O-CB 3.34Å; R104-E107 PolarHBondContact O-N 3.37Å; R104-E107 VanDerWaalsContact O-N 3.11Å
108E90.4Very high93Very high134 Ų13448.8 Ų48.863%0.62625%0.251SS*.Hα-helixtrans-79.7-30.3179.2-72.2176.7-168.100114.2R104 I106R104-E108 WeakPolarHBondContact O-CG 3.42Å; R104-E108 PolarHBondContact O-N 3.11Å; I106-E108 VanDerWaalsContact C-N 3.27Å; I106-E108 PolarHBondContact O-N 3.01Å
109H88.9Confident93.1Very high83 Ų8347.5 Ų47.538%0.38424%0.244SC..Hα-helixtrans-124.8-21.9-166.4-59.6-38.9000115.5Y78 N105 I106Y78-H109 HydrophobicContact CD2-CB 4.3Å; Y78-H109 HydrophobicContact CG-CB 4.09Å; N105-H109 WeakPolarHBondContact O-CB 3.49Å; N105-H109 PolarHBondContact O-CD2 2.94Å; N105-H109 PolarHBondContact O-N 3.32Å; N105-H109 VanDerWaalsContact O-N 3.15Å; I106-H109 PolarHBondContact O-N 3.45Å
110A90.1Very high93.2Very high18 Ų1847.5 Ų47.515%0.14924%0.244CC..SBendtrans-89.1167.5178.500000111.6Y78 I84 I106 V114Y78-A110 HydrophobicContact CD1-CB 4.13Å; I84-A110 HydrophobicContact CD1-CB 4.02Å; I106-A110 HydrophobicContact CG2-CB 3.72Å; I106-A110 WeakPolarHBondContact O-CA 3.47Å; I106-A110 WeakPolarHBondContact O-CB 3.48Å; I106-A110 PolarHBondContact O-N 3.47Å; A110-V114 HydrophobicContact CB-CB 4.36Å; A110-V114 HydrophobicContact CB-CG1 3.85Å
111S89.1Confident93.4Very high60 Ų6043.4 Ų43.442%0.4223%0.229SC..  trans-68.2144.2169.5-1710000110.5D113 V114S111-D113 WeakPolarHBondContact CB-OD1 3.5Å; S111-D113 PolarHBondContact O-N 3.31Å; S111-D113 PolarHBondContact OG-OD1 2.85Å; S111-V114 WeakPolarHBondContact O-CB 3.35Å; S111-V114 VanDerWaalsContact O-CG1 3.28Å; S111-V114 WeakPolarHBondContact O-CG1 3.45Å; S111-V114 PolarHBondContact O-N 3.43Å
112A87.8Confident93.7Very high102 Ų10243.1 Ų43.184%0.84323%0.225SC*.THydrogen-bonded Turntrans-59.4-16.5175.900000112.9
113D89.9Confident93.9Very high55 Ų5544 Ų4429%0.29423%0.23SC..THydrogen-bonded Turntrans-9710.3178.477.1-27000116.5S111 R172 K176S111-D113 WeakPolarHBondContact CB-OD1 3.5Å; S111-D113 PolarHBondContact O-N 3.31Å; S111-D113 PolarHBondContact OG-OD1 2.85Å; D113-R172 VanDerWaalsContact C-NH1 3.3Å; D113-R172 VanDerWaalsContact CB-CZ 3.41Å; D113-R172 VanDerWaalsContact CB-NH2 3.26Å; D113-R172 VanDerWaalsContact O-CZ 3.3Å; D113-R172 PolarHBondContact O-NH1 2.86Å; D113-K176 IonicContact OD2-NZ 3.75Å; D113-K176 PolarHBondContact OD2-NZ 3.09Å
114V95.3Very high94.1Very high6 Ų646.1 Ų46.14%0.03624%0.242CC..  trans-70.4131175.476.20000111.1A81 I84 I106 A110 S111 K116A81-V114 HydrophobicContact CB-CG2 4.42Å; A81-V114 WeakPolarHBondContact O-CG2 3.3Å; I84-V114 HydrophobicContact CB-CG2 4.49Å; I84-V114 HydrophobicContact CD1-CG1 4.27Å; I84-V114 HydrophobicContact CD1-CG2 3.74Å; I84-V114 HydrophobicContact CG1-CG2 3.64Å; I106-V114 HydrophobicContact CG2-CG1 3.76Å; A110-V114 HydrophobicContact CB-CB 4.36Å; A110-V114 HydrophobicContact CB-CG1 3.85Å; S111-V114 WeakPolarHBondContact O-CB 3.35Å; S111-V114 VanDerWaalsContact O-CG1 3.28Å; S111-V114 WeakPolarHBondContact O-CG1 3.45Å; S111-V114 PolarHBondContact O-N 3.43Å; V114-K116 HydrophobicContact CG1-CG 4.27Å
115E97.4Very high94.3Very high41 Ų4142.4 Ų42.419%0.19223%0.231CC..EExtended strand (participates in β ladder)trans-76.8145.9170.6-67.5-53.7134.500110.6M82 G83 I84 L165 D168 I169 R172M82-E115 PolarHBondContact O-N 3.08Å; G83-E115 CarbonylContact C-O 3.35Å; G83-E115 VanDerWaalsContact CA-O 3.24Å; G83-E115 WeakPolarHBondContact CA-O 3.46Å; I84-E115 PolarHBondContact N-O 3.43Å; E115-L165 HydrophobicContact CB-CD1 3.58Å; E115-D168 HydrophobicContact CG-CB 4.11Å; E115-I169 HydrophobicContact CB-CG1 3.88Å; E115-I169 HydrophobicContact CG-CG1 3.82Å; E115-R172 WeakPolarHBondContact OE1-CD 3.22Å; E115-R172 IonicContact OE1-CZ 2.71Å; E115-R172 IonicContact OE1-NE 2.67Å; E115-R172 IonicContact OE1-NH1 2.61Å; E115-R172 PolarHBondContact OE1-NH1 3.29Å
116K97.1Very high94.6Very high51 Ų5145.2 Ų45.222%0.22225%0.246CC..EExtended strand (participates in β ladder)trans-131.1144.8-172.4-60.1164.8-163.1165.10110.2I84 L86 I106 V114 I145I84-K116 WeakPolarHBondContact O-CA 3.41Å; L86-K116 HydrophobicContact CD1-CB 4.42Å; I106-K116 HydrophobicContact CG2-CD 4.31Å; V114-K116 HydrophobicContact CG1-CG 4.27Å; K116-I145 HydrophobicContact CB-CD1 4.18Å; K116-I145 HydrophobicContact CB-CG1 4.17Å; K116-I145 HydrophobicContact CB-CG2 3.77Å; K116-I145 HydrophobicContact CD-CD1 4.04Å; K116-I145 HydrophobicContact CD-CG1 4.37Å; K116-I145 WeakPolarHBondContact O-CG2 3.26Å
117M98.1Very high94.8Very high1 Ų153.1 Ų53.11%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-144.8137.8171.2-179.2171.8-77.800110.6I84 M85 L86 L119 K146 L148 T164 L165I84-M117 PolarHBondContact O-N 3.38Å; M85-M117 CarbonylContact C-O 3.54Å; M85-M117 WeakPolarHBondContact CA-O 3.37Å; M85-M117 HydrophobicContact CE-SD 3.94Å; L86-M117 WeakPolarHBondContact CD1-O 3.24Å; L86-M117 PolarHBondContact N-O 3.3Å; M117-L119 HydrophobicContact CG-CD2 3.96Å; M117-L119 HydrophobicContact SD-CD2 3.85Å; M117-K146 HydrophobicContact CE-CB 3.9Å; M117-K146 HydrophobicContact CE-CD 4.15Å; M117-K146 HydrophobicContact CG-CB 4.44Å; M117-L148 HydrophobicContact SD-CD1 4.26Å; M117-T164 HydrophobicContact CE-CG2 3.39Å; M117-L165 HydrophobicContact CB-CD1 4.49Å
118I98.6Very high95.1Very high0 Ų054 Ų540%029%0.29CS..EExtended strand (participates in β ladder)trans-96.5132.4172.1-59.5172.1000108.9L86 Y88 I99 L139 A140 I145 K146 F147 L148L86-I118 HydrophobicContact CB-CG1 4.42Å; L86-I118 HydrophobicContact CD1-CG1 4.4Å; L86-I118 CarbonylContact O-C 3.6Å; L86-I118 WeakPolarHBondContact O-CA 3.43Å; Y88-I118 HydrophobicContact CD1-CG2 3.9Å; Y88-I118 HydrophobicContact CE1-CG2 3.7Å; I99-I118 HydrophobicContact CG2-CD1 4.16Å; I99-I118 HydrophobicContact CG2-CG1 4.47Å; I118-L139 HydrophobicContact CD1-CD2 4.34Å; I118-L139 HydrophobicContact CD1-CG 4.47Å; I118-A140 HydrophobicContact CD1-CB 4.19Å; I118-I145 HydrophobicContact CD1-CB 4.39Å; I118-I145 HydrophobicContact CD1-CG2 4.32Å; I118-I145 HydrophobicContact CG1-CG2 3.91Å; I118-K146 PolarHBondContact N-O 3.26Å; I118-F147 HydrophobicContact CB-CD2 4.09Å; I118-F147 HydrophobicContact CG2-CD2 3.87Å; I118-F147 HydrophobicContact CG2-CE2 4.34Å; I118-F147 WeakPolarHBondContact O-CA 3.49Å; I118-L148 PolarHBondContact O-N 2.98Å; I118-L148 VanDerWaalsContact O-N 3.08Å
119L98.8Very high95.5Very high2 Ų250.7 Ų50.71%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-116.3118.5174.1-58.1-174.9000110.7L24 M85 L86 V87 Y88 M117 N121 L148 T150L24-L119 HydrophobicContact CD1-CD1 3.91Å; M85-L119 HydrophobicContact CB-CD1 4.4Å; M85-L119 HydrophobicContact CE-CD1 3.64Å; M85-L119 HydrophobicContact CE-CD2 4.06Å; M85-L119 HydrophobicContact CE-CG 4.11Å; M85-L119 HydrophobicContact SD-CD1 4.31Å; L86-L119 PolarHBondContact O-N 3.06Å; V87-L119 WeakPolarHBondContact CA-O 2.94Å; V87-L119 HydrophobicContact CG1-CB 4.45Å; V87-L119 HydrophobicContact CG2-CB 4.33Å; V87-L119 HydrophobicContact CG2-CD1 4.25Å; Y88-L119 WeakPolarHBondContact CD1-O 3.38Å; Y88-L119 PolarHBondContact N-O 3.47Å; M117-L119 HydrophobicContact CG-CD2 3.96Å; M117-L119 HydrophobicContact SD-CD2 3.85Å; L119-N121 PolarHBondContact O-N 2.84Å; L119-L148 CarbonylContact C-O 3.53Å; L119-L148 VanDerWaalsContact CA-O 3.31Å; L119-L148 WeakPolarHBondContact CA-O 3.4Å; L119-L148 HydrophobicContact CD2-CB 4.13Å; L119-T150 HydrophobicContact CB-CG2 4.44Å; L119-T150 HydrophobicContact CD1-CG2 4.33Å; L119-T150 HydrophobicContact CD2-CG2 3.91Å; L119-T150 HydrophobicContact CG-CG2 4.47Å
120G98.7Very high95.9Very high0 Ų051.8 Ų51.80%028%0.277CS..EExtended strand (participates in β ladder)trans-8793.3166.900000110.2Y88 L148 E149 T150Y88-G120 VanDerWaalsContact CZ-CA 3.49Å; G120-L148 PolarHBondContact N-O 2.99Å; G120-E149 CarbonylContact O-C 3.59Å; G120-E149 VanDerWaalsContact O-CA 3.25Å; G120-E149 WeakPolarHBondContact O-CA 3.16Å; G120-T150 PolarHBondContact O-N 3.37Å
121N98.6Very high96.4Very high3 Ų350.9 Ų50.92%0.01627%0.27CS..EExtended strand (participates in β ladder)trans-84.4163.2-173.4-167.235.1000112.9V19 L24 V87 Y88 I90 L119 T150 A152V19-N121 PolarHBondContact O-ND2 3.44Å; L24-N121 HydrophobicContact CD1-CB 4.32Å; V87-N121 HydrophobicContact CG1-CB 3.81Å; Y88-N121 WeakPolarHBondContact O-CB 3.44Å; Y88-N121 PolarHBondContact O-N 3.23Å; I90-N121 WeakPolarHBondContact CG1-O 3.46Å; I90-N121 PolarHBondContact N-O 3.36Å; L119-N121 PolarHBondContact O-N 2.84Å; N121-T150 CarbonylContact C-O 3.58Å; N121-T150 VanDerWaalsContact CA-O 3.27Å; N121-T150 WeakPolarHBondContact CA-O 3.23Å; N121-T150 WeakPolarHBondContact CA-OG1 3.39Å; N121-T150 PolarHBondContact OD1-O 3.17Å; N121-T150 PolarHBondContact OD1-OG1 3.27Å; N121-T150 VanDerWaalsContact OD1-OG1 3.12Å; N121-A152 PolarHBondContact OD1-N 3.03Å
122K98Very high96.8Very high51 Ų5149.9 Ų49.922%0.22226%0.263CS..  trans6933.8-177.7-45.6-170.5-165.3168.50113.7G18 D89 I90 D124 M125 T150G18-K122 WeakPolarHBondContact O-CE 3.39Å; G18-K122 PolarHBondContact O-NZ 3.17Å; D89-K122 WeakPolarHBondContact OD2-CD 3.47Å; D89-K122 WeakPolarHBondContact OD2-CE 3.17Å; D89-K122 IonicContact OD2-NZ 2.81Å; D89-K122 PolarHBondContact OD2-NZ 2.83Å; I90-K122 WeakPolarHBondContact CD1-O 3.28Å; I90-K122 WeakPolarHBondContact CG1-O 3.45Å; K122-D124 WeakPolarHBondContact CA-OD1 3.47Å; K122-D124 PolarHBondContact O-N 3.17Å; K122-D124 VanDerWaalsContact O-N 3.08Å; K122-M125 HydrophobicContact CB-CG 4.42Å; K122-M125 HydrophobicContact CB-SD 4.2Å; K122-M125 HydrophobicContact CD-SD 4.11Å; K122-M125 WeakPolarHBondContact O-CB 3.42Å; K122-M125 PolarHBondContact O-N 3.45Å; K122-T150 PolarHBondContact N-O 2.92Å
123C98Very high97.3Very high19 Ų1949.2 Ų49.213%0.12824%0.241CC..THydrogen-bonded Turntrans-63-13.6178.470.20000114.4I90 M125 E149 T150I90-C123 HydrophobicContact CD1-CB 4.49Å; C123-M125 PolarHBondContact O-N 2.92Å; C123-E149 HydrophobicContact CB-CB 3.96Å; C123-T150 PolarHBondContact N-O 3.22Å; C123-T150 VanDerWaalsContact N-O 3.08Å; C123-T150 PolarHBondContact SG-O 3.26Å; C123-T150 VanDerWaalsContact SG-O 3.33Å
124D97.4Very high97.7Very high47 Ų4752.4 Ų52.425%0.25125%0.254SS..THydrogen-bonded Turntrans-67.1-18.7168.860.6-75.5000113.6K122 N126 S151 K153K122-D124 WeakPolarHBondContact CA-OD1 3.47Å; K122-D124 PolarHBondContact O-N 3.17Å; K122-D124 VanDerWaalsContact O-N 3.08Å; D124-N126 VanDerWaalsContact C-N 3.35Å; D124-N126 PolarHBondContact O-N 3.31Å; D124-S151 VanDerWaalsContact OD1-CB 3.3Å; D124-S151 WeakPolarHBondContact OD1-CB 2.87Å; D124-S151 PolarHBondContact OD1-OG 3.19Å; D124-K153 VanDerWaalsContact OD2-CD 3.29Å; D124-K153 WeakPolarHBondContact OD2-CD 3.34Å
125M96.3Very high97.8Very high59 Ų5956.1 Ų56.129%0.29127%0.268SS..  trans-96.547.7-177.7-60.3-177.258.600112.2T91 K122 C123 D127 K128 R129T91-M125 HydrophobicContact CG2-CB 3.7Å; T91-M125 HydrophobicContact CG2-CE 4.31Å; T91-M125 HydrophobicContact CG2-SD 4.5Å; K122-M125 HydrophobicContact CB-CG 4.42Å; K122-M125 HydrophobicContact CB-SD 4.2Å; K122-M125 HydrophobicContact CD-SD 4.11Å; K122-M125 WeakPolarHBondContact O-CB 3.42Å; K122-M125 PolarHBondContact O-N 3.45Å; C123-M125 PolarHBondContact O-N 2.92Å; M125-D127 PolarHBondContact O-N 2.88Å; M125-K128 HydrophobicContact CE-CD 3.74Å; M125-K128 PolarHBondContact O-N 3.38Å; M125-R129 PolarHBondContact O-N 3.32Å
126N94.6Very high97.9Very high95 Ų9554.1 Ų54.151%0.50826%0.258SS..G310 helixtrans-59.6-32.6-172.8-161.652.7000113.4D124 K128 R129D124-N126 VanDerWaalsContact C-N 3.35Å; D124-N126 PolarHBondContact O-N 3.31Å; N126-K128 PolarHBondContact O-N 2.95Å; N126-R129 WeakPolarHBondContact O-CB 3.21Å; N126-R129 PolarHBondContact O-N 3.04Å; N126-R129 VanDerWaalsContact O-N 3.12Å; N126-R129 PolarHBondContact OD1-NE 3.43Å
127D97.1Very high97.9Very high168 Ų16855.1 Ų55.190%0.89826%0.264SS*.G310 helixtrans-65.6-18.8177.8-55.3-34.9000113.5M125M125-D127 PolarHBondContact O-N 2.88Å
128K97.4Very high98Very high139 Ų13961.7 Ų61.760%0.60429%0.292SS*.G310 helixtrans-110.512.4178.4-59.6-172.1-174.8-179.20112.3T91 M125 N126 Q130T91-K128 WeakPolarHBondContact CA-O 3.43Å; T91-K128 WeakPolarHBondContact CB-O 3.5Å; T91-K128 HydrophobicContact CG2-CB 3.88Å; M125-K128 HydrophobicContact CE-CD 3.74Å; M125-K128 PolarHBondContact O-N 3.38Å; N126-K128 PolarHBondContact O-N 2.95Å; K128-Q130 PolarHBondContact O-N 2.97Å
129R98.4Very high97.9Very high65 Ų6561.9 Ų61.925%0.24529%0.293CS..  trans-62126.7-177.3-179.8179.3-73.2-87.610.4110.7I90 M125 N126 V131 E149I90-R129 HydrophobicContact CD1-CB 4.25Å; I90-R129 HydrophobicContact CD1-CG 4.21Å; I90-R129 VanDerWaalsContact CD1-CZ 3.46Å; M125-R129 PolarHBondContact O-N 3.32Å; N126-R129 WeakPolarHBondContact O-CB 3.21Å; N126-R129 PolarHBondContact O-N 3.04Å; N126-R129 VanDerWaalsContact O-N 3.12Å; N126-R129 PolarHBondContact OD1-NE 3.43Å; R129-V131 WeakPolarHBondContact CD-O 3.38Å; R129-V131 WeakPolarHBondContact CG-O 3.45Å; R129-V131 PolarHBondContact NH1-O 2.88Å; R129-E149 IonicContact CZ-OE1 3.66Å; R129-E149 IonicContact CZ-OE2 2.69Å; R129-E149 IonicContact NH1-OE1 3.63Å; R129-E149 PolarHBondContact NH1-OE1 3.35Å; R129-E149 IonicContact NH1-OE2 2.68Å; R129-E149 IonicContact NH2-OE1 2.79Å; R129-E149 PolarHBondContact NH2-OE1 2.91Å; R129-E149 IonicContact NH2-OE2 3.48Å; R129-E149 PolarHBondContact NH2-OE2 2.99Å
130Q98.5Very high97.9Very high105 Ų10562 Ų6249%0.49129%0.294SS..  trans-109.3-24.7171.9-62.7-176.51.800111.6I90 T91 E93 K128 R135I90-Q130 PolarHBondContact O-N 2.78Å; T91-Q130 PolarHBondContact O-NE2 3.05Å; T91-Q130 VanDerWaalsContact O-NE2 3.14Å; T91-Q130 PolarHBondContact O-OE1 2.82Å; E93-Q130 HydrophobicContact CB-CB 4.34Å; K128-Q130 PolarHBondContact O-N 2.97Å; Q130-R135 PolarHBondContact O-NH1 2.99Å
131V98.5Very high97.8Very high0 Ų068.2 Ų68.20%033%0.326CS..SBendtrans-114.8117.6179.8-1740000108.9Y88 I90 F96 R129 R135Y88-V131 HydrophobicContact CE2-CB 4.07Å; Y88-V131 HydrophobicContact CE2-CG1 3.81Å; Y88-V131 HydrophobicContact CE2-CG2 4.45Å; I90-V131 PolarHBondContact O-N 2.92Å; F96-V131 HydrophobicContact CB-CG1 4.29Å; F96-V131 HydrophobicContact CB-CG2 3.7Å; F96-V131 HydrophobicContact CD1-CG1 4.18Å; F96-V131 HydrophobicContact CD1-CG2 4.4Å; F96-V131 HydrophobicContact CD2-CG1 3.72Å; F96-V131 HydrophobicContact CE1-CG1 4.46Å; F96-V131 HydrophobicContact CE2-CG1 4.01Å; F96-V131 HydrophobicContact CG-CG1 3.79Å; F96-V131 HydrophobicContact CG-CG2 4.02Å; F96-V131 HydrophobicContact CZ-CG1 4.37Å; R129-V131 WeakPolarHBondContact CD-O 3.38Å; R129-V131 WeakPolarHBondContact CG-O 3.45Å; R129-V131 PolarHBondContact NH1-O 2.88Å; V131-R135 HydrophobicContact CG1-CB 4.04Å
132S98.4Very high97.8Very high38 Ų3873.1 Ų73.127%0.26635%0.352SS..  trans-71.1156.8176.389.60000111.4E134 R135 G136S132-E134 WeakPolarHBondContact CB-OE2 3.34Å; S132-E134 PolarHBondContact O-N 3.31Å; S132-E134 PolarHBondContact OG-OE2 3.41Å; S132-R135 WeakPolarHBondContact O-CB 3.38Å; S132-R135 PolarHBondContact O-N 3.39Å; S132-R135 PolarHBondContact OG-N 2.88Å; S132-G136 PolarHBondContact O-N 3.32Å
133K98.2Very high97.7Very high89 Ų8974.6 Ų74.639%0.38736%0.357SS..Hα-helixtrans-61-38.6178.4-172.2171.4-177.6-91.50111R135 G136 E137 F147 E149K133-R135 VanDerWaalsContact C-N 3.31Å; K133-R135 PolarHBondContact O-N 2.85Å; K133-G136 WeakPolarHBondContact O-CA 3.4Å; K133-G136 PolarHBondContact O-N 3.22Å; K133-G136 VanDerWaalsContact O-N 3.09Å; K133-E137 IonicContact NZ-OE1 3.71Å; K133-E137 PolarHBondContact NZ-OE1 3.23Å; K133-E137 WeakPolarHBondContact O-CG 3.31Å; K133-E137 PolarHBondContact O-N 3.15Å; K133-F147 HydrophobicContact CG-CE1 4.04Å; K133-E149 WeakPolarHBondContact CA-OE1 3.33Å; K133-E149 HydrophobicContact CG-CG 4.2Å
134E98.4Very high97.6Very high121 Ų12177.2 Ų77.257%0.56539%0.387SS*.Hα-helixtrans-64.2-34.9179.4-54.371.3-152.700111.6S132 K138S132-E134 WeakPolarHBondContact CB-OE2 3.34Å; S132-E134 PolarHBondContact O-N 3.31Å; S132-E134 PolarHBondContact OG-OE2 3.41Å; E134-K138 WeakPolarHBondContact O-CB 3.4Å; E134-K138 PolarHBondContact O-N 2.87Å
135R98.3Very high97.6Very high84 Ų8475.9 Ų75.932%0.31738%0.38SS..Hα-helixtrans-65-41.8173-74.4177.663.6178.95.6111.4E93 F96 Q130 V131 S132 K133 L139E93-R135 IonicContact OE1-CZ 3.64Å; E93-R135 VanDerWaalsContact OE1-CZ 3.27Å; E93-R135 IonicContact OE1-NH1 2.77Å; E93-R135 PolarHBondContact OE1-NH1 2.81Å; E93-R135 IonicContact OE1-NH2 3.27Å; E93-R135 PolarHBondContact OE1-NH2 2.91Å; F96-R135 HydrophobicContact CZ-CB 4.09Å; Q130-R135 PolarHBondContact O-NH1 2.99Å; V131-R135 HydrophobicContact CG1-CB 4.04Å; S132-R135 WeakPolarHBondContact O-CB 3.38Å; S132-R135 PolarHBondContact O-N 3.39Å; S132-R135 PolarHBondContact OG-N 2.88Å; K133-R135 VanDerWaalsContact C-N 3.31Å; K133-R135 PolarHBondContact O-N 2.85Å; R135-L139 WeakPolarHBondContact O-CB 3.3Å; R135-L139 PolarHBondContact O-N 3.15Å
136G98.2Very high97.6Very high0 Ų077.4 Ų77.40%039%0.385CS..Hα-helixtrans-61.7-49.7174.700000112.2S132 K133 L139 A140S132-G136 PolarHBondContact O-N 3.32Å; K133-G136 WeakPolarHBondContact O-CA 3.4Å; K133-G136 PolarHBondContact O-N 3.22Å; K133-G136 VanDerWaalsContact O-N 3.09Å; G136-L139 PolarHBondContact O-N 3.29Å; G136-A140 WeakPolarHBondContact O-CB 3.44Å; G136-A140 PolarHBondContact O-N 3.2Å
137E98.3Very high97.8Very high71 Ų7174.3 Ų74.333%0.33237%0.367SS..Hα-helixtrans-60.4-45.8177.1-71.8171.3174.100111.8K133 L139 A140 I141 F147K133-E137 IonicContact NZ-OE1 3.71Å; K133-E137 PolarHBondContact NZ-OE1 3.23Å; K133-E137 WeakPolarHBondContact O-CG 3.31Å; K133-E137 PolarHBondContact O-N 3.15Å; E137-L139 PolarHBondContact O-N 3.47Å; E137-A140 WeakPolarHBondContact O-CB 3.44Å; E137-A140 PolarHBondContact O-N 2.97Å; E137-I141 VanDerWaalsContact O-CG1 3.32Å; E137-I141 WeakPolarHBondContact O-CG1 3.24Å; E137-I141 PolarHBondContact O-N 2.92Å; E137-F147 HydrophobicContact CB-CD1 4.37Å; E137-F147 HydrophobicContact CG-CD1 3.49Å; E137-F147 VanDerWaalsContact CG-CD1 3.49Å; E137-F147 HydrophobicContact CG-CE1 3.74Å
138K98.5Very high97.8Very high140 Ų14068.3 Ų68.361%0.60934%0.335SS*.Hα-helixtrans-60.3-47.4177.6-176.9175.1-179.8177.50111.8E134 A140 I141 D142E134-K138 WeakPolarHBondContact O-CB 3.4Å; E134-K138 PolarHBondContact O-N 2.87Å; K138-A140 PolarHBondContact O-N 2.9Å; K138-I141 PolarHBondContact O-N 3.03Å; K138-D142 VanDerWaalsContact O-CG 3.23Å; K138-D142 PolarHBondContact O-N 3.41Å
139L97.9Very high97.9Very high4 Ų462.6 Ų62.62%0.02131%0.31CS..Hα-helixtrans-57.9-42.2176.3-17671.6000111F96 I99 R100 I118 R135 G136 E137 D142 Y143F96-L139 HydrophobicContact CD2-CD2 4.19Å; F96-L139 HydrophobicContact CE2-CB 4.1Å; F96-L139 HydrophobicContact CE2-CD2 3.54Å; F96-L139 HydrophobicContact CE2-CG 4.41Å; F96-L139 HydrophobicContact CZ-CB 4.04Å; F96-L139 HydrophobicContact CZ-CD2 3.89Å; F96-L139 HydrophobicContact CZ-CG 4.45Å; I99-L139 HydrophobicContact CB-CD2 3.99Å; I99-L139 HydrophobicContact CG2-CD2 3.69Å; R100-L139 HydrophobicContact CG-CD1 4.2Å; I118-L139 HydrophobicContact CD1-CD2 4.34Å; I118-L139 HydrophobicContact CD1-CG 4.47Å; R135-L139 WeakPolarHBondContact O-CB 3.3Å; R135-L139 PolarHBondContact O-N 3.15Å; G136-L139 PolarHBondContact O-N 3.29Å; E137-L139 PolarHBondContact O-N 3.47Å; L139-D142 PolarHBondContact O-N 3.41Å; L139-Y143 HydrophobicContact CD1-CD2 4Å; L139-Y143 HydrophobicContact CD1-CE2 3.68Å; L139-Y143 HydrophobicContact CG-CD2 4.3Å; L139-Y143 HydrophobicContact CG-CE2 4.42Å; L139-Y143 WeakPolarHBondContact O-CD2 3.2Å; L139-Y143 PolarHBondContact O-N 2.74Å
140A97.7Very high97.9Very high3 Ų359.5 Ų59.53%0.02530%0.298CS..Hα-helixtrans-65.2-41.4179.900000112.1I118 G136 E137 K138 Y143 G144 I145 F147I118-A140 HydrophobicContact CD1-CB 4.19Å; G136-A140 WeakPolarHBondContact O-CB 3.44Å; G136-A140 PolarHBondContact O-N 3.2Å; E137-A140 WeakPolarHBondContact O-CB 3.44Å; E137-A140 PolarHBondContact O-N 2.97Å; K138-A140 PolarHBondContact O-N 2.9Å; A140-Y143 PolarHBondContact O-N 2.69Å; A140-G144 PolarHBondContact O-N 3.41Å; A140-I145 CarbonylContact C-O 3.5Å; A140-I145 VanDerWaalsContact CB-O 3.26Å; A140-I145 WeakPolarHBondContact CB-O 3.29Å; A140-I145 PolarHBondContact O-N 3Å; A140-F147 HydrophobicContact CB-CB 3.5Å; A140-F147 VanDerWaalsContact CB-CB 3.5Å; A140-F147 HydrophobicContact CB-CG 4.37Å
141I98.1Very high97.9Very high132 Ų13254.5 Ų54.568%0.67728%0.275SS*.Hα-helixtrans-60.8-47.1173.7-68.8164000110.9E137 K138 Y143 G144E137-I141 VanDerWaalsContact O-CG1 3.32Å; E137-I141 WeakPolarHBondContact O-CG1 3.24Å; E137-I141 PolarHBondContact O-N 2.92Å; K138-I141 PolarHBondContact O-N 3.03Å; I141-Y143 PolarHBondContact O-N 2.81Å; I141-Y143 VanDerWaalsContact O-N 3.15Å; I141-G144 PolarHBondContact O-N 3.28Å
142D97.3Very high97.8Very high105 Ų10554.6 Ų54.656%0.56128%0.276SS*.Hα-helixtrans-57.9-31.3-178.2-69-18.6000112.3K138 L139K138-D142 VanDerWaalsContact O-CG 3.23Å; K138-D142 PolarHBondContact O-N 3.41Å; L139-D142 PolarHBondContact O-N 3.41Å
143Y96.1Very high97.6Very high83 Ų8358.5 Ų58.533%0.32529%0.288SS..Hα-helixtrans-101.6-2178.1-73.4-79.1000114.4R100 I103 L139 A140 I141 I145R100-Y143 HydrophobicContact CG-CE2 4.26Å; I103-Y143 HydrophobicContact CD1-CD1 3.97Å; I103-Y143 HydrophobicContact CD1-CD2 3.58Å; I103-Y143 HydrophobicContact CD1-CE1 4.17Å; I103-Y143 HydrophobicContact CD1-CE2 3.82Å; I103-Y143 HydrophobicContact CD1-CG 3.67Å; I103-Y143 HydrophobicContact CG2-CD1 3.8Å; I103-Y143 HydrophobicContact CG2-CE1 3.83Å; L139-Y143 HydrophobicContact CD1-CD2 4Å; L139-Y143 HydrophobicContact CD1-CE2 3.68Å; L139-Y143 HydrophobicContact CG-CD2 4.3Å; L139-Y143 HydrophobicContact CG-CE2 4.42Å; L139-Y143 WeakPolarHBondContact O-CD2 3.2Å; L139-Y143 PolarHBondContact O-N 2.74Å; A140-Y143 PolarHBondContact O-N 2.69Å; I141-Y143 PolarHBondContact O-N 2.81Å; I141-Y143 VanDerWaalsContact O-N 3.15Å; Y143-I145 VanDerWaalsContact C-N 3.3Å; Y143-I145 PolarHBondContact O-N 2.96Å
144G96.1Very high97.5Very high74 Ų7457.5 Ų57.576%0.76329%0.292SS*.THydrogen-bonded Turntrans62.734.1-174.500000113.7A140 I141A140-G144 PolarHBondContact O-N 3.41Å; I141-G144 PolarHBondContact O-N 3.28Å
145I96.8Very high97.4Very high19 Ų1954.3 Ų54.310%0.09728%0.283CS..  trans-109.2149.1-178.5-58.1175.2000109.2I103 K116 I118 A140 Y143I103-I145 HydrophobicContact CD1-CD1 3.94Å; I103-I145 HydrophobicContact CG1-CD1 4.18Å; K116-I145 HydrophobicContact CB-CD1 4.18Å; K116-I145 HydrophobicContact CB-CG1 4.17Å; K116-I145 HydrophobicContact CB-CG2 3.77Å; K116-I145 HydrophobicContact CD-CD1 4.04Å; K116-I145 HydrophobicContact CD-CG1 4.37Å; K116-I145 WeakPolarHBondContact O-CG2 3.26Å; I118-I145 HydrophobicContact CD1-CB 4.39Å; I118-I145 HydrophobicContact CD1-CG2 4.32Å; I118-I145 HydrophobicContact CG1-CG2 3.91Å; A140-I145 CarbonylContact C-O 3.5Å; A140-I145 VanDerWaalsContact CB-O 3.26Å; A140-I145 WeakPolarHBondContact CB-O 3.29Å; A140-I145 PolarHBondContact O-N 3Å; Y143-I145 VanDerWaalsContact C-N 3.3Å; Y143-I145 PolarHBondContact O-N 2.96Å
146K96.4Very high97.4Very high91 Ų9153.6 Ų53.640%0.39629%0.285SS..EExtended strand (participates in β ladder)trans-74.1152.1173.2-70.5-171.2-177.3176.30112M117 I118 T164 D168M117-K146 HydrophobicContact CE-CB 3.9Å; M117-K146 HydrophobicContact CE-CD 4.15Å; M117-K146 HydrophobicContact CG-CB 4.44Å; I118-K146 PolarHBondContact N-O 3.26Å; K146-T164 HydrophobicContact CD-CG2 3.96Å; K146-D168 VanDerWaalsContact CD-OD2 3.29Å; K146-D168 WeakPolarHBondContact CD-OD2 3.43Å; K146-D168 WeakPolarHBondContact CE-OD2 3.28Å; K146-D168 IonicContact NZ-OD1 3.52Å; K146-D168 PolarHBondContact NZ-OD1 3.16Å; K146-D168 IonicContact NZ-OD2 3.41Å; K146-D168 PolarHBondContact NZ-OD2 3.37Å
147F98.5Very high97.4Very high29 Ų2956.9 Ų56.913%0.12730%0.303CS..EExtended strand (participates in β ladder)trans-134.2140.5179.9171.8-104.5000112.6Y88 I118 K133 E137 A140 E149Y88-F147 AromaticContact CE1-CE2 3.9Å; Y88-F147 HydrophobicContact CE1-CE2 3.9Å; Y88-F147 VanDerWaalsContact OH-CE2 3.28Å; Y88-F147 WeakPolarHBondContact OH-CE2 3.05Å; Y88-F147 WeakPolarHBondContact OH-CZ 3.29Å; I118-F147 HydrophobicContact CB-CD2 4.09Å; I118-F147 HydrophobicContact CG2-CD2 3.87Å; I118-F147 HydrophobicContact CG2-CE2 4.34Å; I118-F147 WeakPolarHBondContact O-CA 3.49Å; K133-F147 HydrophobicContact CG-CE1 4.04Å; E137-F147 HydrophobicContact CB-CD1 4.37Å; E137-F147 HydrophobicContact CG-CD1 3.49Å; E137-F147 VanDerWaalsContact CG-CD1 3.49Å; E137-F147 HydrophobicContact CG-CE1 3.74Å; A140-F147 HydrophobicContact CB-CB 3.5Å; A140-F147 VanDerWaalsContact CB-CB 3.5Å; A140-F147 HydrophobicContact CB-CG 4.37Å; F147-E149 HydrophobicContact CE1-CG 3.99Å; F147-E149 HydrophobicContact CZ-CG 3.57Å
148L98.5Very high97.4Very high43 Ų4353.6 Ų53.623%0.22529%0.288CS..EExtended strand (participates in β ladder)trans-140.6146.1167.6-71.1174.3000110.2M117 I118 L119 G120 E160M117-L148 HydrophobicContact SD-CD1 4.26Å; I118-L148 PolarHBondContact O-N 2.98Å; I118-L148 VanDerWaalsContact O-N 3.08Å; L119-L148 CarbonylContact C-O 3.53Å; L119-L148 VanDerWaalsContact CA-O 3.31Å; L119-L148 WeakPolarHBondContact CA-O 3.4Å; L119-L148 HydrophobicContact CD2-CB 4.13Å; G120-L148 PolarHBondContact N-O 2.99Å; L148-E160 HydrophobicContact CD1-CG 4.47Å
149E98.6Very high97.3Very high18 Ų1851.5 Ų51.58%0.08428%0.28CS..EExtended strand (participates in β ladder)trans-88.6137.7161.3-71.1-161.2161.500110.2G120 C123 R129 K133 F147 N157G120-E149 CarbonylContact O-C 3.59Å; G120-E149 VanDerWaalsContact O-CA 3.25Å; G120-E149 WeakPolarHBondContact O-CA 3.16Å; C123-E149 HydrophobicContact CB-CB 3.96Å; R129-E149 IonicContact CZ-OE1 3.66Å; R129-E149 IonicContact CZ-OE2 2.69Å; R129-E149 IonicContact NH1-OE1 3.63Å; R129-E149 PolarHBondContact NH1-OE1 3.35Å; R129-E149 IonicContact NH1-OE2 2.68Å; R129-E149 IonicContact NH2-OE1 2.79Å; R129-E149 PolarHBondContact NH2-OE1 2.91Å; R129-E149 IonicContact NH2-OE2 3.48Å; R129-E149 PolarHBondContact NH2-OE2 2.99Å; K133-E149 WeakPolarHBondContact CA-OE1 3.33Å; K133-E149 HydrophobicContact CG-CG 4.2Å; F147-E149 HydrophobicContact CE1-CG 3.99Å; F147-E149 HydrophobicContact CZ-CG 3.57Å; E149-N157 VanDerWaalsContact O-CB 3.31Å; E149-N157 WeakPolarHBondContact O-CB 3.21Å; E149-N157 PolarHBondContact O-ND2 2.5Å
150T98.6Very high97.3Very high0 Ų054.9 Ų54.90%030%0.296CS..EExtended strand (participates in β ladder)trans-129.5155.8-176.562.40000111.9L119 G120 N121 K122 C123 I156 N157L119-T150 HydrophobicContact CB-CG2 4.44Å; L119-T150 HydrophobicContact CD1-CG2 4.33Å; L119-T150 HydrophobicContact CD2-CG2 3.91Å; L119-T150 HydrophobicContact CG-CG2 4.47Å; G120-T150 PolarHBondContact O-N 3.37Å; N121-T150 CarbonylContact C-O 3.58Å; N121-T150 VanDerWaalsContact CA-O 3.27Å; N121-T150 WeakPolarHBondContact CA-O 3.23Å; N121-T150 WeakPolarHBondContact CA-OG1 3.39Å; N121-T150 PolarHBondContact OD1-O 3.17Å; N121-T150 PolarHBondContact OD1-OG1 3.27Å; N121-T150 VanDerWaalsContact OD1-OG1 3.12Å; K122-T150 PolarHBondContact N-O 2.92Å; C123-T150 PolarHBondContact N-O 3.22Å; C123-T150 VanDerWaalsContact N-O 3.08Å; C123-T150 PolarHBondContact SG-O 3.26Å; C123-T150 VanDerWaalsContact SG-O 3.33Å; T150-I156 CarbonylContact C-O 3.57Å; T150-I156 VanDerWaalsContact CA-O 3.25Å; T150-I156 WeakPolarHBondContact CA-O 3.27Å; T150-N157 HydrophobicContact CG2-CB 4.09Å
151S98.1Very high97.3Very high0 Ų054.8 Ų54.80%030%0.295CS..BIsolated β-bridgetrans-131.2109.5164.3175.70000109.5D124 K153 S154 S155 I156 V158D124-S151 VanDerWaalsContact OD1-CB 3.3Å; D124-S151 WeakPolarHBondContact OD1-CB 2.87Å; D124-S151 PolarHBondContact OD1-OG 3.19Å; S151-K153 PolarHBondContact O-N 2.59Å; S151-K153 PolarHBondContact OG-N 2.79Å; S151-S154 PolarHBondContact OG-N 3.49Å; S151-S155 CarbonylContact O-C 3.57Å; S151-S155 VanDerWaalsContact O-CA 3.24Å; S151-S155 WeakPolarHBondContact O-CA 3.17Å; S151-S155 PolarHBondContact O-N 3.24Å; S151-I156 PolarHBondContact N-O 3.15Å; S151-I156 PolarHBondContact O-N 3.46Å; S151-V158 WeakPolarHBondContact O-CG2 3.37Å
152A96.5Very high97.3Very high3 Ų348.5 Ų48.53%0.02526%0.263CS..THydrogen-bonded Turntrans-60.6-30.916900000112.3C23 L24 R27 F33 N121C23-A152 HydrophobicContact CB-CB 3.64Å; L24-A152 HydrophobicContact CD2-CB 3.94Å; L24-A152 HydrophobicContact CG-CB 4.16Å; R27-A152 PolarHBondContact NE-O 2.9Å; R27-A152 PolarHBondContact NH2-O 3.46Å; F33-A152 HydrophobicContact CD2-CB 4.25Å; F33-A152 WeakPolarHBondContact CD2-O 3.44Å; F33-A152 HydrophobicContact CE2-CB 4.21Å; N121-A152 PolarHBondContact OD1-N 3.03Å
153K95.3Very high97.3Very high120 Ų12044.9 Ų44.952%0.52224%0.243SC..THydrogen-bonded Turntrans-71.2-50.6-179.5-175-173.6178.5-172.20111.4R27 F33 D124 S151R27-K153 PolarHBondContact NH2-O 3.36Å; F33-K153 HydrophobicContact CD1-CG 4.27Å; F33-K153 HydrophobicContact CD2-CB 4.41Å; F33-K153 HydrophobicContact CE1-CB 4.12Å; F33-K153 HydrophobicContact CE1-CG 3.85Å; F33-K153 HydrophobicContact CE2-CB 3.97Å; F33-K153 HydrophobicContact CZ-CB 3.82Å; F33-K153 HydrophobicContact CZ-CG 4.03Å; D124-K153 VanDerWaalsContact OD2-CD 3.29Å; D124-K153 WeakPolarHBondContact OD2-CD 3.34Å; S151-K153 PolarHBondContact O-N 2.59Å; S151-K153 PolarHBondContact OG-N 2.79Å
154S95.6Very high97.4Very high67 Ų6741.7 Ų41.747%0.46923%0.232SC..THydrogen-bonded Turntrans-95.56.5-175.8-55.60000113.6S151 I156S151-S154 PolarHBondContact OG-N 3.49Å; S154-I156 PolarHBondContact O-N 2.9Å
155S96Very high97.5Very high54 Ų5438.1 Ų38.138%0.37820%0.196SC..THydrogen-bonded Turntrans56.627.9-176-151.80000114.6R27 S151 N157R27-S155 WeakPolarHBondContact CD-OG 3.43Å; S151-S155 CarbonylContact O-C 3.57Å; S151-S155 VanDerWaalsContact O-CA 3.24Å; S151-S155 WeakPolarHBondContact O-CA 3.17Å; S151-S155 PolarHBondContact O-N 3.24Å; S155-N157 PolarHBondContact O-N 2.91Å
156I98.2Very high97.5Very high70 Ų7037.2 Ų37.236%0.35919%0.191SC..BIsolated β-bridgetrans-79.7124.1-179.2-60.4169.7000109T150 S151 S154 V158T150-I156 CarbonylContact C-O 3.57Å; T150-I156 VanDerWaalsContact CA-O 3.25Å; T150-I156 WeakPolarHBondContact CA-O 3.27Å; S151-I156 PolarHBondContact N-O 3.15Å; S151-I156 PolarHBondContact O-N 3.46Å; S154-I156 PolarHBondContact O-N 2.9Å; I156-V158 PolarHBondContact O-N 2.91Å
157N98.1Very high97.5Very high69 Ų6936.6 Ų36.637%0.36919%0.186SC..SBendtrans54.214176.1-62.7-28.5000115.8E149 T150 S155 G161E149-N157 VanDerWaalsContact O-CB 3.31Å; E149-N157 WeakPolarHBondContact O-CB 3.21Å; E149-N157 PolarHBondContact O-ND2 2.5Å; T150-N157 HydrophobicContact CG2-CB 4.09Å; S155-N157 PolarHBondContact O-N 2.91Å; N157-G161 PolarHBondContact O-N 3.48Å
158V97.9Very high97.4Very high2 Ų236.5 Ų36.51%0.01219%0.187CC..Hα-helixtrans-66.8-57.3-178.5-179.40000109.7L24 R27 F28 S151 I156 E160 G161 F162L24-V158 HydrophobicContact CD2-CB 4.49Å; L24-V158 HydrophobicContact CD2-CG1 4.15Å; L24-V158 HydrophobicContact CD2-CG2 3.78Å; R27-V158 HydrophobicContact CB-CG1 4.14Å; R27-V158 HydrophobicContact CG-CB 4.11Å; R27-V158 HydrophobicContact CG-CG1 3.87Å; R27-V158 HydrophobicContact CG-CG2 3.97Å; F28-V158 HydrophobicContact CB-CG1 4.04Å; S151-V158 WeakPolarHBondContact O-CG2 3.37Å; I156-V158 PolarHBondContact O-N 2.91Å; V158-E160 VanDerWaalsContact C-N 3.34Å; V158-E160 PolarHBondContact O-N 3.24Å; V158-G161 PolarHBondContact O-N 3.39Å; V158-F162 HydrophobicContact CG1-CD2 4.35Å; V158-F162 HydrophobicContact CG1-CE2 4.16Å; V158-F162 VanDerWaalsContact O-CD2 3.26Å; V158-F162 WeakPolarHBondContact O-CD2 3.39Å; V158-F162 PolarHBondContact O-N 3.02Å
159E96.4Very high97.3Very high95 Ų9534.7 Ų34.744%0.44418%0.178SC..Hα-helixtrans-60.4-44177.3-178.3155.1-126.800111.9F28 R48 G161 F162 L163F28-E159 HydrophobicContact CE2-CG 4.39Å; R48-E159 IonicContact CZ-OE1 3.82Å; R48-E159 IonicContact NH1-OE1 2.74Å; R48-E159 PolarHBondContact NH1-OE1 3.01Å; R48-E159 IonicContact NH2-OE1 2.81Å; R48-E159 PolarHBondContact NH2-OE1 2.83Å; E159-G161 VanDerWaalsContact C-N 3.3Å; E159-G161 PolarHBondContact O-N 2.89Å; E159-F162 PolarHBondContact O-N 2.88Å; E159-L163 HydrophobicContact CG-CD1 3.65Å; E159-L163 HydrophobicContact CG-CG 4.03Å; E159-L163 WeakPolarHBondContact O-CB 3.5Å; E159-L163 WeakPolarHBondContact O-CG 3.24Å; E159-L163 PolarHBondContact O-N 3.2Å
160E97.6Very high97.2Very high76 Ų7634.4 Ų34.436%0.35518%0.176SC..Hα-helixtrans-62.6-35.5-179.7-175.255.8-163.100112.9L148 V158 T164 R167L148-E160 HydrophobicContact CD1-CG 4.47Å; V158-E160 VanDerWaalsContact C-N 3.34Å; V158-E160 PolarHBondContact O-N 3.24Å; E160-T164 WeakPolarHBondContact O-CB 3.48Å; E160-T164 PolarHBondContact O-N 3.15Å; E160-T164 PolarHBondContact O-OG1 3.43Å; E160-T164 PolarHBondContact OE1-OG1 2.89Å; E160-R167 IonicContact OE1-CZ 3.64Å; E160-R167 IonicContact OE1-NH1 3.73Å; E160-R167 PolarHBondContact OE1-NH1 2.89Å; E160-R167 IonicContact OE1-NH2 2.78Å; E160-R167 PolarHBondContact OE1-NH2 2.57Å; E160-R167 IonicContact OE2-CZ 3.56Å; E160-R167 IonicContact OE2-NH1 2.79Å; E160-R167 IonicContact OE2-NH2 3.36Å; E160-R167 PolarHBondContact OE2-NH2 2.93Å
161G98.1Very high96.9Very high0 Ų037.7 Ų37.70%020%0.199CC..Hα-helixtrans-62.1-49.6174.800000112.7M85 N157 V158 E159 L165M85-G161 VanDerWaalsContact CE-C 3.44Å; M85-G161 WeakPolarHBondContact CE-O 3.39Å; N157-G161 PolarHBondContact O-N 3.48Å; V158-G161 PolarHBondContact O-N 3.39Å; E159-G161 VanDerWaalsContact C-N 3.3Å; E159-G161 PolarHBondContact O-N 2.89Å; G161-L165 PolarHBondContact O-N 3.36Å
162F98Very high96.7Very high1 Ų141.7 Ų41.70%0.00421%0.214CC..Hα-helixtrans-65.8-42.2178.7-76.2-80.5000112.2L11 L13 F28 I61 M85 V158 E159 A166L11-F162 HydrophobicContact CD1-CD1 4.02Å; L13-F162 HydrophobicContact CD1-CZ 4.31Å; L13-F162 HydrophobicContact CD2-CE1 4.01Å; L13-F162 HydrophobicContact CD2-CZ 4.08Å; F28-F162 HydrophobicContact CB-CD2 3.64Å; F28-F162 HydrophobicContact CB-CE2 3.5Å; F28-F162 VanDerWaalsContact CB-CE2 3.5Å; F28-F162 HydrophobicContact CB-CG 4.46Å; F28-F162 HydrophobicContact CB-CZ 4.19Å; F28-F162 HydrophobicContact CD1-CB 4.41Å; F28-F162 HydrophobicContact CD1-CD1 4.13Å; F28-F162 AromaticContact CD1-CD2 3.95Å; F28-F162 HydrophobicContact CD1-CD2 3.95Å; F28-F162 HydrophobicContact CD1-CE1 4.39Å; F28-F162 HydrophobicContact CD1-CE2 4.24Å; F28-F162 AromaticContact CD1-CG 3.91Å; F28-F162 HydrophobicContact CD1-CG 3.91Å; F28-F162 HydrophobicContact CD1-CZ 4.45Å; F28-F162 HydrophobicContact CD2-CB 3.78Å; F28-F162 AromaticContact CD2-CD2 3.41Å; F28-F162 HydrophobicContact CD2-CD2 3.41Å; F28-F162 VanDerWaalsContact CD2-CD2 3.41Å; F28-F162 HydrophobicContact CD2-CE2 4.19Å; F28-F162 AromaticContact CD2-CG 3.74Å; F28-F162 HydrophobicContact CD2-CG 3.74Å; F28-F162 HydrophobicContact CE1-CB 4.09Å; F28-F162 HydrophobicContact CE1-CD1 4.22Å; F28-F162 HydrophobicContact CE1-CD2 4.47Å; F28-F162 HydrophobicContact CE1-CG 4.02Å; F28-F162 HydrophobicContact CE2-CB 3.41Å; F28-F162 VanDerWaalsContact CE2-CB 3.41Å; F28-F162 HydrophobicContact CE2-CD2 4Å; F28-F162 AromaticContact CE2-CG 3.86Å; F28-F162 HydrophobicContact CE2-CG 3.86Å; F28-F162 HydrophobicContact CG-CB 4.26Å; F28-F162 HydrophobicContact CG-CD1 4.38Å; F28-F162 AromaticContact CG-CD2 3.37Å; F28-F162 HydrophobicContact CG-CD2 3.37Å; F28-F162 AromaticContact CG-CE2 3.73Å; F28-F162 HydrophobicContact CG-CE2 3.73Å; F28-F162 AromaticContact CG-CG 3.76Å; F28-F162 HydrophobicContact CG-CG 3.76Å; F28-F162 HydrophobicContact CG-CZ 4.36Å; F28-F162 HydrophobicContact CZ-CB 3.59Å; F28-F162 HydrophobicContact CZ-CD2 4.5Å; F28-F162 AromaticContact CZ-CG 4Å; F28-F162 HydrophobicContact CZ-CG 4Å; I61-F162 HydrophobicContact CD1-CD1 3.97Å; I61-F162 HydrophobicContact CD1-CE1 3.83Å; I61-F162 HydrophobicContact CG2-CE1 4.04Å; M85-F162 HydrophobicContact CE-CD1 4.44Å; M85-F162 HydrophobicContact CE-CG 4.45Å; M85-F162 HydrophobicContact SD-CD1 3.64Å; M85-F162 HydrophobicContact SD-CE1 3.54Å; M85-F162 VanDerWaalsContact SD-CE1 3.54Å; M85-F162 HydrophobicContact SD-CG 4.2Å; M85-F162 HydrophobicContact SD-CZ 4.04Å; V158-F162 HydrophobicContact CG1-CD2 4.35Å; V158-F162 HydrophobicContact CG1-CE2 4.16Å; V158-F162 VanDerWaalsContact O-CD2 3.26Å; V158-F162 WeakPolarHBondContact O-CD2 3.39Å; V158-F162 PolarHBondContact O-N 3.02Å; E159-F162 PolarHBondContact O-N 2.88Å; F162-A166 WeakPolarHBondContact O-CB 3.47Å; F162-A166 PolarHBondContact O-N 2.99Å
163L97.4Very high96.4Very high29 Ų2944 Ų4415%0.15223%0.226CC..Hα-helixtrans-68.4-41178.9-66.4-176.6000111.8V50 E159 L165 A166 R167V50-L163 HydrophobicContact CB-CD2 4Å; V50-L163 HydrophobicContact CG1-CD2 4.08Å; V50-L163 HydrophobicContact CG2-CD2 3.98Å; E159-L163 HydrophobicContact CG-CD1 3.65Å; E159-L163 HydrophobicContact CG-CG 4.03Å; E159-L163 WeakPolarHBondContact O-CB 3.5Å; E159-L163 WeakPolarHBondContact O-CG 3.24Å; E159-L163 PolarHBondContact O-N 3.2Å; L163-L165 PolarHBondContact O-N 3.49Å; L163-A166 PolarHBondContact O-N 2.68Å; L163-R167 WeakPolarHBondContact O-CG 3.41Å; L163-R167 PolarHBondContact O-N 3.33Å
164T97.9Very high96.2Very high15 Ų1540.9 Ų40.99%0.09222%0.215CC..Hα-helixtrans-59.4-47176.9-62.90000111.1M117 K146 E160 A166 R167 D168M117-T164 HydrophobicContact CE-CG2 3.39Å; K146-T164 HydrophobicContact CD-CG2 3.96Å; E160-T164 WeakPolarHBondContact O-CB 3.48Å; E160-T164 PolarHBondContact O-N 3.15Å; E160-T164 PolarHBondContact O-OG1 3.43Å; E160-T164 PolarHBondContact OE1-OG1 2.89Å; T164-A166 VanDerWaalsContact C-N 3.32Å; T164-A166 PolarHBondContact O-N 3.19Å; T164-R167 WeakPolarHBondContact O-CB 3.49Å; T164-R167 PolarHBondContact O-N 3.24Å; T164-R167 PolarHBondContact OG1-NH1 3.49Å; T164-D168 PolarHBondContact O-N 3.18Å
165L98Very high95.9Very high0 Ų046 Ų460%022%0.224CC..Hα-helixtrans-63.5-39.3176.8-177.160.8000111.7L11 M85 E115 M117 G161 L163 D168 I169L11-L165 HydrophobicContact CD2-CD2 4Å; L11-L165 HydrophobicContact CD2-CG 4.29Å; M85-L165 HydrophobicContact CG-CD2 3.39Å; M85-L165 HydrophobicContact SD-CD2 4.19Å; E115-L165 HydrophobicContact CB-CD1 3.58Å; M117-L165 HydrophobicContact CB-CD1 4.49Å; G161-L165 PolarHBondContact O-N 3.36Å; L163-L165 PolarHBondContact O-N 3.49Å; L165-D168 PolarHBondContact O-N 3.17Å; L165-I169 HydrophobicContact CG-CD1 4.28Å; L165-I169 VanDerWaalsContact O-CG1 3.3Å; L165-I169 WeakPolarHBondContact O-CG1 3.42Å; L165-I169 PolarHBondContact O-N 2.93Å; L165-I169 VanDerWaalsContact O-N 3.08Å
166A97.5Very high95.4Very high0 Ų048.5 Ų48.50%023%0.228CC..Hα-helixtrans-63.3-39.717500000112.6F9 L52 L59 F162 L163 T164 D168 I169 M170F9-A166 HydrophobicContact CD2-CB 4.25Å; F9-A166 HydrophobicContact CE2-CB 4.49Å; F9-A166 WeakPolarHBondContact CE2-O 3.27Å; L52-A166 HydrophobicContact CD1-CB 3.88Å; L59-A166 HydrophobicContact CD2-CB 4.14Å; F162-A166 WeakPolarHBondContact O-CB 3.47Å; F162-A166 PolarHBondContact O-N 2.99Å; L163-A166 PolarHBondContact O-N 2.68Å; T164-A166 VanDerWaalsContact C-N 3.32Å; T164-A166 PolarHBondContact O-N 3.19Å; A166-D168 VanDerWaalsContact C-N 3.32Å; A166-D168 PolarHBondContact O-N 3.3Å; A166-I169 PolarHBondContact O-N 2.95Å; A166-M170 WeakPolarHBondContact O-CB 3.38Å; A166-M170 PolarHBondContact O-N 3.07Å
167R96.9Very high94.6Very high77 Ų7751.5 Ų51.529%0.29124%0.242SC..Hα-helixtrans-61.3-40.8174.7-69.1179.3-145.11222.8111.1L52 E160 L163 T164 M170 S171L52-R167 HydrophobicContact CD1-CB 4.33Å; L52-R167 HydrophobicContact CD1-CG 3.44Å; L52-R167 VanDerWaalsContact CD1-CG 3.44Å; L52-R167 HydrophobicContact CD2-CG 3.89Å; L52-R167 HydrophobicContact CG-CG 3.83Å; E160-R167 IonicContact OE1-CZ 3.64Å; E160-R167 IonicContact OE1-NH1 3.73Å; E160-R167 PolarHBondContact OE1-NH1 2.89Å; E160-R167 IonicContact OE1-NH2 2.78Å; E160-R167 PolarHBondContact OE1-NH2 2.57Å; E160-R167 IonicContact OE2-CZ 3.56Å; E160-R167 IonicContact OE2-NH1 2.79Å; E160-R167 IonicContact OE2-NH2 3.36Å; E160-R167 PolarHBondContact OE2-NH2 2.93Å; L163-R167 WeakPolarHBondContact O-CG 3.41Å; L163-R167 PolarHBondContact O-N 3.33Å; T164-R167 WeakPolarHBondContact O-CB 3.49Å; T164-R167 PolarHBondContact O-N 3.24Å; T164-R167 PolarHBondContact OG1-NH1 3.49Å; R167-M170 PolarHBondContact O-N 3.45Å; R167-S171 WeakPolarHBondContact O-CB 3.27Å; R167-S171 PolarHBondContact O-N 3.5Å; R167-S171 PolarHBondContact O-OG 2.86Å
168D96.5Very high93.6Very high28 Ų2854.4 Ų54.415%0.1526%0.258CS..Hα-helixtrans-66-44.8179.5-68.3-27.5000111.8E115 K146 T164 L165 A166 M170 S171 R172E115-D168 HydrophobicContact CG-CB 4.11Å; K146-D168 VanDerWaalsContact CD-OD2 3.29Å; K146-D168 WeakPolarHBondContact CD-OD2 3.43Å; K146-D168 WeakPolarHBondContact CE-OD2 3.28Å; K146-D168 IonicContact NZ-OD1 3.52Å; K146-D168 PolarHBondContact NZ-OD1 3.16Å; K146-D168 IonicContact NZ-OD2 3.41Å; K146-D168 PolarHBondContact NZ-OD2 3.37Å; T164-D168 PolarHBondContact O-N 3.18Å; L165-D168 PolarHBondContact O-N 3.17Å; A166-D168 VanDerWaalsContact C-N 3.32Å; A166-D168 PolarHBondContact O-N 3.3Å; D168-M170 VanDerWaalsContact C-N 3.33Å; D168-M170 PolarHBondContact O-N 3.01Å; D168-S171 PolarHBondContact O-N 2.8Å; D168-R172 WeakPolarHBondContact O-CB 3.4Å; D168-R172 PolarHBondContact O-N 2.93Å
169I96.9Very high92.4Very high5 Ų560.5 Ų60.53%0.02629%0.29CS..Hα-helixtrans-58.7-47.5174.8-65.6165.7000110.2F9 L11 M82 E115 L165 A166 R172 L173F9-I169 HydrophobicContact CB-CD1 4.47Å; F9-I169 HydrophobicContact CD1-CG2 3.79Å; F9-I169 HydrophobicContact CD2-CB 4.12Å; F9-I169 HydrophobicContact CD2-CD1 4.34Å; F9-I169 HydrophobicContact CD2-CG2 3.86Å; F9-I169 HydrophobicContact CE1-CG2 3.81Å; F9-I169 HydrophobicContact CE2-CB 4.05Å; F9-I169 HydrophobicContact CE2-CG2 3.85Å; F9-I169 HydrophobicContact CG-CG2 3.86Å; F9-I169 HydrophobicContact CZ-CB 4.44Å; F9-I169 HydrophobicContact CZ-CG2 3.84Å; L11-I169 HydrophobicContact CD2-CD1 3.44Å; L11-I169 VanDerWaalsContact CD2-CD1 3.44Å; M82-I169 HydrophobicContact CB-CD1 4.09Å; M82-I169 HydrophobicContact CB-CG1 4.46Å; M82-I169 HydrophobicContact CB-CG2 4.06Å; M82-I169 HydrophobicContact CE-CG2 3.67Å; E115-I169 HydrophobicContact CB-CG1 3.88Å; E115-I169 HydrophobicContact CG-CG1 3.82Å; L165-I169 HydrophobicContact CG-CD1 4.28Å; L165-I169 VanDerWaalsContact O-CG1 3.3Å; L165-I169 WeakPolarHBondContact O-CG1 3.42Å; L165-I169 PolarHBondContact O-N 2.93Å; L165-I169 VanDerWaalsContact O-N 3.08Å; A166-I169 PolarHBondContact O-N 2.95Å; I169-R172 PolarHBondContact O-N 2.83Å; I169-L173 HydrophobicContact CG2-CD1 4.15Å; I169-L173 WeakPolarHBondContact O-CG 3.37Å; I169-L173 PolarHBondContact O-N 2.81Å
170M95Very high90.5Very high12 Ų1258.8 Ų58.86%0.05930%0.298CS..Hα-helixtrans-62.3-45.1179.2-176.4165.8165.400111.9Y7 F9 L52 D53 K55 I57 A166 R167 D168 R172 L173 N174Y7-M170 HydrophobicContact CE2-CE 4.35Å; F9-M170 HydrophobicContact CE2-CB 4.08Å; F9-M170 HydrophobicContact CZ-CB 3.93Å; L52-M170 HydrophobicContact CD2-SD 3.51Å; L52-M170 VanDerWaalsContact CD2-SD 3.51Å; D53-M170 HydrophobicContact CB-CE 4.25Å; K55-M170 HydrophobicContact CB-CE 4.16Å; K55-M170 HydrophobicContact CG-CE 3.62Å; I57-M170 HydrophobicContact CD1-SD 3.89Å; A166-M170 WeakPolarHBondContact O-CB 3.38Å; A166-M170 PolarHBondContact O-N 3.07Å; R167-M170 PolarHBondContact O-N 3.45Å; D168-M170 VanDerWaalsContact C-N 3.33Å; D168-M170 PolarHBondContact O-N 3.01Å; M170-R172 VanDerWaalsContact C-N 3.29Å; M170-R172 PolarHBondContact O-N 3.49Å; M170-L173 PolarHBondContact O-N 3.45Å; M170-N174 VanDerWaalsContact O-CG 3.25Å; M170-N174 PolarHBondContact O-N 3.1Å; M170-N174 PolarHBondContact O-ND2 3Å
171S94.1Very high87.8Confident68 Ų6858 Ų5848%0.47631%0.31SS..Hα-helixtrans-59.2-41.1177.4-63.20000111.7R167 D168 N174 R175R167-S171 WeakPolarHBondContact O-CB 3.27Å; R167-S171 PolarHBondContact O-N 3.5Å; R167-S171 PolarHBondContact O-OG 2.86Å; D168-S171 PolarHBondContact O-N 2.8Å; S171-N174 PolarHBondContact O-N 2.78Å; S171-R175 PolarHBondContact O-N 2.84Å
172R92.5Very high85.4Confident84 Ų8464.2 Ų64.232%0.31735%0.351SS..Hα-helixtrans-67.6-42.8176.9-178.2162.2-168.1164.77.9113D113 E115 D168 I169 M170 N174 R175 K176D113-R172 VanDerWaalsContact C-NH1 3.3Å; D113-R172 VanDerWaalsContact CB-CZ 3.41Å; D113-R172 VanDerWaalsContact CB-NH2 3.26Å; D113-R172 VanDerWaalsContact O-CZ 3.3Å; D113-R172 PolarHBondContact O-NH1 2.86Å; E115-R172 WeakPolarHBondContact OE1-CD 3.22Å; E115-R172 IonicContact OE1-CZ 2.71Å; E115-R172 IonicContact OE1-NE 2.67Å; E115-R172 IonicContact OE1-NH1 2.61Å; E115-R172 PolarHBondContact OE1-NH1 3.29Å; D168-R172 WeakPolarHBondContact O-CB 3.4Å; D168-R172 PolarHBondContact O-N 2.93Å; I169-R172 PolarHBondContact O-N 2.83Å; M170-R172 VanDerWaalsContact C-N 3.29Å; M170-R172 PolarHBondContact O-N 3.49Å; R172-N174 VanDerWaalsContact C-N 3.31Å; R172-N174 PolarHBondContact O-N 2.8Å; R172-R175 PolarHBondContact O-N 3Å; R172-K176 PolarHBondContact O-N 3.29Å
173L91.1Very high82.7Confident51 Ų5169.1 Ų69.127%0.26739%0.392SS..Hα-helixtrans-60.4-44.1175.5-71.7172000111.1Y7 F9 M82 I169 M170 R175 K176 M177Y7-L173 HydrophobicContact CD1-CD1 4.41Å; F9-L173 HydrophobicContact CD1-CD1 4.33Å; F9-L173 HydrophobicContact CE1-CD1 3.4Å; F9-L173 VanDerWaalsContact CE1-CD1 3.4Å; F9-L173 HydrophobicContact CZ-CD1 3.9Å; M82-L173 HydrophobicContact CE-CD1 3.76Å; M82-L173 HydrophobicContact CE-CD2 4.24Å; M82-L173 HydrophobicContact CE-CG 4.37Å; I169-L173 HydrophobicContact CG2-CD1 4.15Å; I169-L173 WeakPolarHBondContact O-CG 3.37Å; I169-L173 PolarHBondContact O-N 2.81Å; M170-L173 PolarHBondContact O-N 3.45Å; L173-R175 VanDerWaalsContact C-N 3.34Å; L173-R175 PolarHBondContact O-N 2.99Å; L173-K176 PolarHBondContact O-N 2.81Å; L173-M177 WeakPolarHBondContact O-CG 3.33Å; L173-M177 PolarHBondContact O-N 2.66Å
174N89.8Confident79.9Confident56 Ų5671.6 Ų71.630%0.29942%0.424SS..Hα-helixtrans-62.3-40.9177.3-68.9-17.7000111.7M170 S171 R172 M177 N178M170-N174 VanDerWaalsContact O-CG 3.25Å; M170-N174 PolarHBondContact O-N 3.1Å; M170-N174 PolarHBondContact O-ND2 3Å; S171-N174 PolarHBondContact O-N 2.78Å; R172-N174 VanDerWaalsContact C-N 3.31Å; R172-N174 PolarHBondContact O-N 2.8Å; N174-M177 PolarHBondContact O-N 2.79Å; N174-N178 VanDerWaalsContact O-CG 3.27Å; N174-N178 PolarHBondContact O-N 2.89Å
175R89.8Confident76.8Confident173 Ų17374.6 Ų74.665%0.65346%0.458SS*.Hα-helixtrans-61.2-46.7174.3-172.7-179.5-61.2175.31.7111.8S171 R172 L173 M177 N178 D179S171-R175 PolarHBondContact O-N 2.84Å; R172-R175 PolarHBondContact O-N 3Å; L173-R175 VanDerWaalsContact C-N 3.34Å; L173-R175 PolarHBondContact O-N 2.99Å; R175-M177 VanDerWaalsContact C-N 3.26Å; R175-M177 PolarHBondContact O-N 2.98Å; R175-N178 PolarHBondContact O-N 3.16Å; R175-N178 VanDerWaalsContact O-N 3.11Å; R175-D179 WeakPolarHBondContact CG-OD2 3.47Å; R175-D179 WeakPolarHBondContact O-CB 3.24Å; R175-D179 PolarHBondContact O-N 3.48Å
176K85.6Confident74Confident108 Ų10878.8 Ų78.847%0.4750%0.501SS..Hα-helixtrans-60.6-33.8176.8-75.8-172.7171.2-168.30113.1D113 R172 L173D113-K176 IonicContact OD2-NZ 3.75Å; D113-K176 PolarHBondContact OD2-NZ 3.09Å; R172-K176 PolarHBondContact O-N 3.29Å; L173-K176 PolarHBondContact O-N 2.81Å
177M81.3Confident70.8Confident133 Ų13382.1 Ų82.166%0.65554%0.535SS*.Hα-helixtrans-71.2-36.8175.1-70.6-179.970.300112.1L173 N174 R175L173-M177 WeakPolarHBondContact O-CG 3.33Å; L173-M177 PolarHBondContact O-N 2.66Å; N174-M177 PolarHBondContact O-N 2.79Å; R175-M177 VanDerWaalsContact C-N 3.26Å; R175-M177 PolarHBondContact O-N 2.98Å
178N76.8Confident67.9Low129 Ų12986.8 Ų86.869%0.6956%0.56SS**Hα-helixtrans-78.2-35.3-178.8-68.8-11.2000113.1N174 R175 G180N174-N178 VanDerWaalsContact O-CG 3.27Å; N174-N178 PolarHBondContact O-N 2.89Å; R175-N178 PolarHBondContact O-N 3.16Å; R175-N178 VanDerWaalsContact O-N 3.11Å; N178-G180 PolarHBondContact O-N 3.31Å
179D73.2Confident65.1Low131 Ų13191.8 Ų91.870%0.70159%0.592SS**THydrogen-bonded Turntrans-74.8-5.4176.4-66.8-18.3000112.4R175R175-D179 WeakPolarHBondContact CG-OD2 3.47Å; R175-D179 WeakPolarHBondContact O-CB 3.24Å; R175-D179 PolarHBondContact O-N 3.48Å
180G56.2Low62.3Low59 Ų5999.9 Ų99.961%0.60863%0.627SS**THydrogen-bonded Turntrans-93.128.5178.300000116.2N178N178-G180 PolarHBondContact O-N 3.31Å
181G41.5Very low59.9Low59 Ų59107 Ų10761%0.60866%0.663SS**  trans-65.9156.3173.500000114
182P46.9Very low57.1Low130 Ų130109 Ų10984%0.84468%0.677SS**  trans-76.4123.3-131.631.6-34.8000114.7G184P182-G184 PolarHBondContact O-N 3.18Å
183A42.5Very low54.7Low105 Ų105113.6 Ų113.687%0.86870%0.702SS**  trans-75.3110.9149.100000107.7
184G37.7Very low52.1Low80 Ų80117.2 Ų117.283%0.82573%0.729SS**  trans-63.5151.7178.400000113.5P182P182-G184 PolarHBondContact O-N 3.18Å
185G32.9Very low49.5Very low79 Ų79122.7 Ų122.781%0.81476%0.758SS**  trans147.598.6169.200000112.2
186G38.7Very low46.9Very low88 Ų88119.3 Ų119.391%0.90776%0.76SS**  trans-62.8150.3-176.300000114.9
187G31.1Very low44.7Very low69 Ų69123.9 Ų123.971%0.71178%0.78SS**  trans177.193.4169.200000110.4V189G187-V189 PolarHBondContact O-N 3.04Å
188Q36.2Very low42.5Very low175 Ų175126.7 Ų126.782%0.81879%0.789SS**  trans-53.8109.6166.1-85.7-180-13.600109.4K190Q188-K190 PolarHBondContact O-N 3.37Å; Q188-K190 VanDerWaalsContact O-N 3.14Å
189V37.5Very low40.6Very low133 Ų133125.3 Ų125.381%0.80679%0.789SS**  trans-81.791.7164.1-176.30000107.2G187 I191G187-V189 PolarHBondContact O-N 3.04Å; V189-I191 PolarHBondContact O-N 3.14Å
190K38.3Very low38.8Very low175 Ų175125 Ų12576%0.76179%0.791SS**  trans-64119.9163.4-76.6-178.2177.5178.20107.9Q188 S192Q188-K190 PolarHBondContact O-N 3.37Å; Q188-K190 VanDerWaalsContact O-N 3.14Å; K190-S192 PolarHBondContact O-N 3.23Å
191I43.6Very low37.9Very low161 Ų161131.6 Ų131.683%0.82680%0.804SS**  trans-75.1105.5171.3-59.4172000106.9V189V189-I191 PolarHBondContact O-N 3.14Å
192S36.9Very low37.6Very low111 Ų111139.9 Ų139.978%0.77682%0.817SS**PPolyproline II helixtrans-78133.6164.953.20000109.7K190K190-S192 PolarHBondContact O-N 3.23Å
193E41.4Very low36.8Very low180 Ų180138.8 Ų138.884%0.84181%0.811SS**PPolyproline II helixtrans-52.5150178.9-68.1171.4139.800113.7L195E193-L195 PolarHBondContact O-N 3.27Å
194P36.4Very low36.5Very low128 Ų128139.2 Ų139.283%0.83181%0.808SS**PPolyproline II helixtrans-74.3125.9175.527.6-28.7000111.7S196P194-S196 PolarHBondContact O-N 3.45Å
195L35.8Very low36.4Very low171 Ų171142.8 Ų142.890%0.89581%0.807SS**PPolyproline II helixtrans-55.2117.1171.5-84.1148.7000112.1E193 K197E193-L195 PolarHBondContact O-N 3.27Å; L195-K197 PolarHBondContact O-N 3.23Å
196S34.9Very low36.8Very low101 Ų101150.9 Ų150.971%0.70683%0.83SS**  trans-60.6110.2165.2176.70000110.4P194 K198P194-S196 PolarHBondContact O-N 3.45Å; S196-K198 PolarHBondContact O-N 3.49Å
197K38.8Very low36.7Very low204 Ų204154.1 Ų154.189%0.88783%0.827SS**  trans-88.199.7161.4-78.9-173.9178.3179.90108.8L195 S199L195-K197 PolarHBondContact O-N 3.23Å; K197-S199 PolarHBondContact O-N 3.33Å
198K34.8Very low37Very low193 Ų193158.5 Ų158.584%0.83983%0.833SS**  trans-63.6114.8161.8-72.8180176.3178.30108.5S196S196-K198 PolarHBondContact O-N 3.49Å
199S36.4Very low37Very low99 Ų99157.6 Ų157.669%0.69283%0.833SS**  trans-101.2114.8162.2-1730000108.5K197 F201K197-S199 PolarHBondContact O-N 3.33Å; S199-F201 PolarHBondContact O-N 3.46Å
200V36.8Very low37Very low124 Ų124159.1 Ų159.175%0.75284%0.835SS**  trans-74.9113.2176.7177.60000108
201F35.7Very low36.9Very low198 Ų198158.1 Ų158.187%0.86884%0.84SS**  trans-102.5106.4159.3-90.6-84.2000108.1S199S199-F201 PolarHBondContact O-N 3.46Å
202R35.9Very low36.5Very low233 Ų233157.9 Ų157.988%0.87984%0.841SS**  trans-84.2118.7172.9-143.1178.6-173-173.30.9107.3
203C29.7Very low36.5Very low108 Ų108161.2 Ų161.273%0.7385%0.845SS**  trans-70.7134.4167.7-1730000109.3
204S37.3Very low36.1Very low114 Ų114159.8 Ų159.880%0.79785%0.846SS**  trans-152.2109.7154.833.70000108.5
205L35.2Very low36Very low154 Ų154162.4 Ų162.481%0.80685%0.847SS**  trans-62.6137.5156.4-78.3100.6000109.3
206L41.1Very low36.1Very low250 Ų250161.6 Ų161.6100%1.30984%0.842SS**  -170.20125.7-97.7159.8000108.1

Retrieved 206 of 206 residues in 387.9 ms (Link to these results)

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