A0A5K4F1W9_SCHMA Loading...

Dehydrogenase/reductase SDR family member 1

AlphaFold DB , UniProt , Accession A0A5K4F1W9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 340 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
1M48Very low87.4Confident244 Ų24458.3 Ų58.3100%1.20232%0.315SS*.  0133.90-68.7-179.1-140.800107.3
2S66.8Low88.4Confident94 Ų9453.4 Ų53.466%0.65729%0.289SS*.  trans-63.9138.9174.9570000110
3G79.2Confident89.2Confident19 Ų1949.3 Ų49.320%0.19627%0.266CS..  trans-58.8156.5177.100000112.8L5 H6 A30G3-L5 PolarHBondContact O-N 3.36Å; G3-L5 VanDerWaalsContact O-N 3.12Å; G3-H6 VanDerWaalsContact O-CB 3.27Å; G3-H6 WeakPolarHBondContact O-CB 3.36Å; G3-H6 PolarHBondContact O-N 3.21Å; G3-A30 CarbonylContact C-O 3.47Å; G3-A30 WeakPolarHBondContact CA-O 3.33Å
4K90.4Very high89.7Confident140 Ų14047.3 Ų47.361%0.60926%0.263SS*.THydrogen-bonded Turntrans-56.9-28.7-175.9-66.2-175.9-179.8179.50113.9A30 I264 N268K4-A30 PolarHBondContact N-O 2.95Å; K4-A30 VanDerWaalsContact N-O 3.11Å; K4-I264 HydrophobicContact CD-CG2 4.37Å; K4-N268 PolarHBondContact O-OD1 2.9Å
5L95.9Very high90.1Very high1 Ų144.1 Ų44.11%0.00525%0.245CC..THydrogen-bonded Turntrans-111.124.4180-60.6-177000111.9G3 G7 C8 L27 A30 A32 I98 I264 A267G3-L5 PolarHBondContact O-N 3.36Å; G3-L5 VanDerWaalsContact O-N 3.12Å; L5-G7 PolarHBondContact O-N 3.06Å; L5-C8 HydrophobicContact CB-CB 4.17Å; L5-C8 VanDerWaalsContact O-CB 3.27Å; L5-C8 WeakPolarHBondContact O-CB 3.46Å; L5-C8 PolarHBondContact O-N 3.15Å; L5-L27 HydrophobicContact CD1-CD2 3.57Å; L5-A30 CarbonylContact C-O 3.58Å; L5-A30 WeakPolarHBondContact CA-O 3.41Å; L5-A30 HydrophobicContact CB-CB 4.04Å; L5-A30 HydrophobicContact CD1-CB 4Å; L5-A30 HydrophobicContact CG-CB 3.94Å; L5-A30 PolarHBondContact N-O 2.96Å; L5-A32 HydrophobicContact CB-CB 3.98Å; L5-A32 WeakPolarHBondContact O-CA 3.31Å; L5-I98 HydrophobicContact CD1-CD1 4.07Å; L5-I98 HydrophobicContact CD2-CD1 4.47Å; L5-I264 HydrophobicContact CD1-CG1 3.99Å; L5-I264 HydrophobicContact CD1-CG2 4.49Å; L5-A267 HydrophobicContact CD2-CB 4.33Å
6H94.7Very high90.3Very high119 Ų11942.2 Ų42.255%0.55124%0.235SC*.THydrogen-bonded Turntrans-54.4127.4178.6-176.669.6000111.8G3 C8 G31G3-H6 VanDerWaalsContact O-CB 3.27Å; G3-H6 WeakPolarHBondContact O-CB 3.36Å; G3-H6 PolarHBondContact O-N 3.21Å; H6-C8 PolarHBondContact O-N 3.4Å; H6-G31 WeakPolarHBondContact CA-O 3.41Å
7G92.6Very high90.3Very high23 Ų2343.9 Ų43.924%0.23724%0.237CC..THydrogen-bonded Turntrans77.4-6.4-17800000115.1L5 R95L5-G7 PolarHBondContact O-N 3.06Å; G7-R95 WeakPolarHBondContact O-CD 3.36Å; G7-R95 PolarHBondContact O-NE 3.19Å; G7-R95 PolarHBondContact O-NH1 2.99Å
8C97.7Very high90.5Very high0 Ų041.8 Ų41.80%023%0.227CC..  trans-70.5140.6172.9-65.40000110.8L5 H6 I33 D97L5-C8 HydrophobicContact CB-CB 4.17Å; L5-C8 VanDerWaalsContact O-CB 3.27Å; L5-C8 WeakPolarHBondContact O-CB 3.46Å; L5-C8 PolarHBondContact O-N 3.15Å; H6-C8 PolarHBondContact O-N 3.4Å; C8-I33 PolarHBondContact O-N 3.13Å; C8-D97 WeakPolarHBondContact CA-OD2 3.34Å; C8-D97 HydrophobicContact CB-CB 4.07Å
9V98.7Very high90.8Very high1 Ų141.2 Ų41.21%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-102.4120.4176.2177.30000108.9I33 Y35 I88 Q92 R95 F96 D97 I98V9-I33 CarbonylContact C-O 3.42Å; V9-I33 WeakPolarHBondContact CA-O 3.46Å; V9-I33 HydrophobicContact CG2-CB 4.5Å; V9-I33 HydrophobicContact CG2-CD1 4.5Å; V9-Y35 HydrophobicContact CG1-CD2 4.3Å; V9-Y35 HydrophobicContact CG1-CE2 4.13Å; V9-I88 HydrophobicContact CG1-CG2 3.77Å; V9-Q92 HydrophobicContact CB-CG 4.48Å; V9-Q92 HydrophobicContact CG1-CB 4.42Å; V9-Q92 HydrophobicContact CG1-CG 3.86Å; V9-Q92 HydrophobicContact CG2-CB 3.85Å; V9-Q92 HydrophobicContact CG2-CG 3.76Å; V9-R95 HydrophobicContact CB-CG 4.36Å; V9-R95 HydrophobicContact CG2-CB 4.14Å; V9-R95 HydrophobicContact CG2-CG 3.89Å; V9-F96 HydrophobicContact CG1-CD2 4.27Å; V9-D97 PolarHBondContact N-OD2 3.28Å; V9-D97 WeakPolarHBondContact O-CA 3.49Å; V9-D97 WeakPolarHBondContact O-CB 3.42Å; V9-D97 PolarHBondContact O-N 3.35Å; V9-I98 PolarHBondContact O-N 2.79Å; V9-I98 VanDerWaalsContact O-N 3.13Å
10C98.8Very high91.1Very high0 Ų039.2 Ų39.20%021%0.212CC..EExtended strand (participates in β ladder)trans-123.1148.6-176.1-51.50000110.8L27 I33 V34 Y35 I98C10-L27 HydrophobicContact CB-CD1 4.07Å; C10-I33 PolarHBondContact N-O 3.31Å; C10-V34 HydrophobicContact CB-CG2 4.5Å; C10-V34 CarbonylContact O-C 3.55Å; C10-V34 WeakPolarHBondContact O-CA 3.47Å; C10-Y35 PolarHBondContact O-N 3.48Å; C10-I98 CarbonylContact C-O 3.33Å; C10-I98 WeakPolarHBondContact CA-O 3.5Å; C10-I98 HydrophobicContact CB-CB 4.16Å
11L98.9Very high91.4Very high0 Ų038.6 Ų38.60%021%0.208CC..EExtended strand (participates in β ladder)trans-123.2126.9168.7171.559.8000109.5T13 Y35 T37 L84 F85 I88 F96 I98 L99 V100L11-T13 HydrophobicContact CD2-CG2 4.31Å; L11-T13 HydrophobicContact CG-CG2 4.19Å; L11-Y35 WeakPolarHBondContact CA-O 3.41Å; L11-T37 HydrophobicContact CD1-CG2 3.78Å; L11-L84 HydrophobicContact CD1-CD2 4.04Å; L11-L84 HydrophobicContact CD2-CD2 3.69Å; L11-L84 HydrophobicContact CD2-CG 4.49Å; L11-F85 HydrophobicContact CD2-CE1 4.06Å; L11-F85 HydrophobicContact CD2-CE2 4.24Å; L11-F85 HydrophobicContact CD2-CZ 3.69Å; L11-I88 HydrophobicContact CB-CD1 4.45Å; L11-I88 HydrophobicContact CD1-CD1 4.47Å; L11-I88 HydrophobicContact CD2-CD1 4.17Å; L11-F96 HydrophobicContact CB-CE2 3.89Å; L11-F96 HydrophobicContact CB-CZ 3.75Å; L11-F96 HydrophobicContact CD2-CZ 4.46Å; L11-I98 PolarHBondContact N-O 3.01Å; L11-L99 HydrophobicContact CB-CD1 4.19Å; L11-L99 HydrophobicContact CD2-CD1 3.86Å; L11-L99 HydrophobicContact CG-CD1 3.99Å; L11-V100 PolarHBondContact O-N 3.34Å
12V98.9Very high93.7Very high0 Ų027 Ų270%015%0.151CC..EExtended strand (participates in β ladder)trans-114.9115.2170.2-171.50000109.2A15 I23 A24 L27 V34 Y35 T37 V100V12-A15 HydrophobicContact CB-CB 4.2Å; V12-A15 HydrophobicContact CG1-CB 3.99Å; V12-I23 HydrophobicContact CG1-CB 4.39Å; V12-I23 HydrophobicContact CG1-CG2 4.3Å; V12-I23 HydrophobicContact CG2-CG2 4Å; V12-A24 HydrophobicContact CB-CB 4.41Å; V12-A24 HydrophobicContact CG2-CB 4.22Å; V12-L27 HydrophobicContact CG2-CD1 3.55Å; V12-V34 HydrophobicContact CG2-CG1 4.04Å; V12-Y35 PolarHBondContact N-O 3.27Å; V12-T37 PolarHBondContact O-N 3.01Å; V12-V100 HydrophobicContact CB-CB 4.5Å; V12-V100 HydrophobicContact CG1-CB 4.23Å; V12-V100 HydrophobicContact CG1-CG1 4.37Å; V12-V100 HydrophobicContact CG2-CB 4.26Å; V12-V100 HydrophobicContact CG2-CG2 4.36Å
13T98.7Very high95.2Very high0 Ų022.5 Ų22.50%012%0.12CC..SBendtrans-83.1138.3179.3620000111.3L11 T37 H75 L99 V100 N101 N102 A103L11-T13 HydrophobicContact CD2-CG2 4.31Å; L11-T13 HydrophobicContact CG-CG2 4.19Å; T13-T37 WeakPolarHBondContact CA-OG1 3.4Å; T13-H75 WeakPolarHBondContact CB-NE2 3.29Å; T13-H75 WeakPolarHBondContact CG2-CE1 3.43Å; T13-L99 HydrophobicContact CG2-CD1 4.37Å; T13-V100 PolarHBondContact N-O 3.13Å; T13-V100 PolarHBondContact OG1-O 2.87Å; T13-N101 WeakPolarHBondContact OG1-CA 3.24Å; T13-N102 CarbonylContact O-C 3.59Å; T13-N102 VanDerWaalsContact O-CB 3.25Å; T13-N102 WeakPolarHBondContact O-CB 3.47Å; T13-N102 PolarHBondContact O-ND2 2.89Å; T13-N102 PolarHBondContact OG1-N 2.87Å; T13-A103 PolarHBondContact O-N 3.41Å; T13-A103 PolarHBondContact OG1-N 3.49Å; T13-A103 VanDerWaalsContact OG1-N 3.12Å
14G96.6Very high96.2Very high21 Ų2121.6 Ų21.622%0.21611%0.11CC..SBendtrans65.950.5-17900000113.7T37 N102G14-T37 CarbonylContact C-O 3.36Å; G14-T37 WeakPolarHBondContact CA-O 3.31Å; G14-T37 PolarHBondContact N-O 3.48Å; G14-N102 PolarHBondContact O-ND2 3.33Å
15A96.1Very high96.5Very high0 Ų016.5 Ų16.50%09%0.089CC..  trans-103.319.3-17500000114.4V12 R17 A24 I36 T37 T55V12-A15 HydrophobicContact CB-CB 4.2Å; V12-A15 HydrophobicContact CG1-CB 3.99Å; A15-R17 VanDerWaalsContact C-N 3.25Å; A15-R17 PolarHBondContact O-N 3.13Å; A15-A24 HydrophobicContact CB-CB 4.27Å; A15-I36 HydrophobicContact CB-CB 3.74Å; A15-I36 HydrophobicContact CB-CG2 3.75Å; A15-T37 PolarHBondContact N-O 2.98Å; A15-T55 PolarHBondContact O-OG1 2.91Å
16T92.3Very high96.6Very high13 Ų1317.4 Ų17.48%0.089%0.093CC..SBendtrans-61.6-34.2170.2-55.40000112.1G50T16-G50 WeakPolarHBondContact CG2-O 3.36Å
17R91.1Very high96.7Very high72 Ų7211.8 Ų11.827%0.2727%0.067SC..SBendtrans-160.4175.8-175.556.6179.1155.7-127.5-0.1111.7A15 K21 V48A15-R17 VanDerWaalsContact C-N 3.25Å; A15-R17 PolarHBondContact O-N 3.13Å; R17-K21 PolarHBondContact O-N 3.02Å; R17-V48 PolarHBondContact NH1-O 3.48Å
18G93.4Very high96.9Very high6 Ų610.7 Ų10.76%0.0626%0.056CC..Hα-helixtrans62.3-146.1170.600000113.3G20 K21 G22 E229 P256G18-G20 PolarHBondContact O-N 3.3Å; G18-K21 PolarHBondContact O-N 3.27Å; G18-K21 VanDerWaalsContact O-N 3.09Å; G18-G22 PolarHBondContact O-N 3.03Å; G18-E229 WeakPolarHBondContact CA-OE2 3.3Å; G18-E229 PolarHBondContact N-OE1 3.4Å; G18-E229 PolarHBondContact N-OE2 3.49Å; G18-P256 WeakPolarHBondContact O-CB 3.43Å
19I96.5Very high96.8Very high30 Ų3015.3 Ų15.315%0.1548%0.078CC..Hα-helixtrans-53.6-42.2-176.8-63.8164.4000111.3K21 G22 I23 N102 I177 P223 V226 T228I19-K21 PolarHBondContact O-N 3.5Å; I19-G22 PolarHBondContact O-N 3.44Å; I19-I23 HydrophobicContact CG2-CD1 3.52Å; I19-I23 HydrophobicContact CG2-CG1 4.15Å; I19-I23 WeakPolarHBondContact O-CB 3.38Å; I19-I23 VanDerWaalsContact O-CG1 3.24Å; I19-I23 WeakPolarHBondContact O-CG1 3.27Å; I19-I23 PolarHBondContact O-N 3.26Å; I19-N102 WeakPolarHBondContact CG2-OD1 3.43Å; I19-I177 HydrophobicContact CG2-CG2 4.43Å; I19-P223 HydrophobicContact CD1-CB 4.38Å; I19-P223 HydrophobicContact CD1-CG 4.17Å; I19-V226 HydrophobicContact CD1-CB 4.2Å; I19-V226 HydrophobicContact CD1-CG2 3.74Å; I19-V226 HydrophobicContact CG1-CB 4.02Å; I19-V226 HydrophobicContact CG1-CG1 3.83Å; I19-V226 HydrophobicContact CG1-CG2 3.85Å; I19-T228 HydrophobicContact CG1-CG2 4.22Å
20G97.6Very high96.7Very high0 Ų015.8 Ų15.80%08%0.081CC..Hα-helixtrans-61.7-44.9178.200000113.2G18 I23 A24 N102G18-G20 PolarHBondContact O-N 3.3Å; G20-I23 PolarHBondContact O-N 3.21Å; G20-A24 WeakPolarHBondContact O-CB 3.38Å; G20-A24 PolarHBondContact O-N 3.39Å; G20-N102 WeakPolarHBondContact CA-ND2 3.43Å; G20-N102 PolarHBondContact N-ND2 3.2Å; G20-N102 PolarHBondContact N-OD1 3Å
21K96.6Very high96.6Very high27 Ų2715.9 Ų15.912%0.1178%0.083CC..Hα-helixtrans-60.2-48.4174.9177.8173.3-173.3176.90110.6R17 G18 I19 I23 A24 M25 E54 T55R17-K21 PolarHBondContact O-N 3.02Å; G18-K21 PolarHBondContact O-N 3.27Å; G18-K21 VanDerWaalsContact O-N 3.09Å; I19-K21 PolarHBondContact O-N 3.5Å; K21-I23 PolarHBondContact O-N 3Å; K21-A24 PolarHBondContact O-N 3.17Å; K21-M25 HydrophobicContact CG-SD 4.11Å; K21-M25 VanDerWaalsContact O-CG 3.27Å; K21-M25 WeakPolarHBondContact O-CG 3.37Å; K21-M25 PolarHBondContact O-N 2.73Å; K21-E54 IonicContact NZ-OE1 2.68Å; K21-E54 PolarHBondContact NZ-OE1 2.88Å; K21-T55 HydrophobicContact CB-CG2 4.49Å; K21-T55 WeakPolarHBondContact CD-OG1 3.46Å; K21-T55 HydrophobicContact CG-CG2 3.92Å; K21-T55 WeakPolarHBondContact CG-OG1 3.36Å
22G97.1Very high96.6Very high1 Ų115.9 Ų15.91%0.018%0.083CC..Hα-helixtrans-62.1-41.517900000113.6G18 I19 M25 E26 P256G18-G22 PolarHBondContact O-N 3.03Å; I19-G22 PolarHBondContact O-N 3.44Å; G22-M25 PolarHBondContact O-N 2.84Å; G22-E26 WeakPolarHBondContact O-CG 3.48Å; G22-E26 PolarHBondContact O-N 3.05Å; G22-E26 VanDerWaalsContact O-N 3.17Å; G22-P256 WeakPolarHBondContact CA-O 3.36Å
23I98.6Very high96.5Very high0 Ų017.7 Ų17.70%09%0.092CC..Hα-helixtrans-63.5-46.1174.7-68.1169000111V12 I19 G20 K21 M25 E26 L27 V100 I177 I263V12-I23 HydrophobicContact CG1-CB 4.39Å; V12-I23 HydrophobicContact CG1-CG2 4.3Å; V12-I23 HydrophobicContact CG2-CG2 4Å; I19-I23 HydrophobicContact CG2-CD1 3.52Å; I19-I23 HydrophobicContact CG2-CG1 4.15Å; I19-I23 WeakPolarHBondContact O-CB 3.38Å; I19-I23 VanDerWaalsContact O-CG1 3.24Å; I19-I23 WeakPolarHBondContact O-CG1 3.27Å; I19-I23 PolarHBondContact O-N 3.26Å; G20-I23 PolarHBondContact O-N 3.21Å; K21-I23 PolarHBondContact O-N 3Å; I23-M25 VanDerWaalsContact C-N 3.3Å; I23-M25 PolarHBondContact O-N 2.97Å; I23-E26 PolarHBondContact O-N 3.25Å; I23-L27 HydrophobicContact CG2-CD1 3.85Å; I23-L27 HydrophobicContact CG2-CG 4.3Å; I23-L27 WeakPolarHBondContact O-CG 3.48Å; I23-L27 PolarHBondContact O-N 2.98Å; I23-V100 HydrophobicContact CD1-CG1 3.85Å; I23-V100 HydrophobicContact CG2-CB 4.47Å; I23-V100 HydrophobicContact CG2-CG1 4.23Å; I23-V100 HydrophobicContact CG2-CG2 4.04Å; I23-I177 HydrophobicContact CD1-CD1 3.88Å; I23-I177 HydrophobicContact CD1-CG1 4.29Å; I23-I263 HydrophobicContact CD1-CD1 3.84Å; I23-I263 HydrophobicContact CG1-CD1 4.19Å; I23-I263 HydrophobicContact CG2-CD1 4.01Å
24A98.3Very high96.5Very high0 Ų017.7 Ų17.70%09%0.092CC..Hα-helixtrans-60.9-40.8178.600000112.1V12 A15 G20 K21 L27 G28 V34 I36 T55 I59V12-A24 HydrophobicContact CB-CB 4.41Å; V12-A24 HydrophobicContact CG2-CB 4.22Å; A15-A24 HydrophobicContact CB-CB 4.27Å; G20-A24 WeakPolarHBondContact O-CB 3.38Å; G20-A24 PolarHBondContact O-N 3.39Å; K21-A24 PolarHBondContact O-N 3.17Å; A24-L27 PolarHBondContact O-N 3.42Å; A24-G28 PolarHBondContact O-N 3Å; A24-V34 HydrophobicContact CB-CG1 4.2Å; A24-I36 HydrophobicContact CB-CG2 3.48Å; A24-I36 VanDerWaalsContact CB-CG2 3.48Å; A24-T55 HydrophobicContact CB-CG2 4.42Å; A24-I59 HydrophobicContact CB-CD1 3.97Å; A24-I59 WeakPolarHBondContact O-CD1 3.45Å
25M96.9Very high96.6Very high32 Ų3216.7 Ų16.716%0.1588%0.082CC..Hα-helixtrans-57.9-50.2175.8-73.7173.768.800111.9K21 G22 I23 G28 Q29 T58 I59K21-M25 HydrophobicContact CG-SD 4.11Å; K21-M25 VanDerWaalsContact O-CG 3.27Å; K21-M25 WeakPolarHBondContact O-CG 3.37Å; K21-M25 PolarHBondContact O-N 2.73Å; G22-M25 PolarHBondContact O-N 2.84Å; I23-M25 VanDerWaalsContact C-N 3.3Å; I23-M25 PolarHBondContact O-N 2.97Å; M25-G28 PolarHBondContact O-N 3.25Å; M25-Q29 WeakPolarHBondContact O-CG 3.35Å; M25-Q29 PolarHBondContact O-N 3.39Å; M25-T58 HydrophobicContact CE-CG2 3.98Å; M25-I59 HydrophobicContact CG-CD1 4.48Å; M25-I59 HydrophobicContact CG-CG1 4.21Å
26E97.5Very high96.8Very high21 Ų2116.7 Ų16.710%0.0988%0.082CC..Hα-helixtrans-66.8-40-179.4-64.1-68.3143.600111.8G22 I23 G28 Q29 A30 Q257 K261 I264G22-E26 WeakPolarHBondContact O-CG 3.48Å; G22-E26 PolarHBondContact O-N 3.05Å; G22-E26 VanDerWaalsContact O-N 3.17Å; I23-E26 PolarHBondContact O-N 3.25Å; E26-G28 VanDerWaalsContact C-N 3.32Å; E26-G28 PolarHBondContact O-N 3.24Å; E26-Q29 PolarHBondContact O-N 3Å; E26-A30 PolarHBondContact O-N 2.91Å; E26-Q257 HydrophobicContact CG-CB 3.88Å; E26-Q257 HydrophobicContact CG-CG 4.31Å; E26-Q257 WeakPolarHBondContact CG-O 3.44Å; E26-Q257 WeakPolarHBondContact OE1-CB 3.27Å; E26-K261 HydrophobicContact CG-CG 4.1Å; E26-K261 WeakPolarHBondContact OE2-CG 3.32Å; E26-I264 HydrophobicContact CB-CD1 3.53Å; E26-I264 WeakPolarHBondContact O-CD1 3.32Å
27L98.2Very high97.1Very high0 Ų016 Ų160%08%0.078CC..Hα-helixtrans-61.6-41.7176-72.4171.8000111.4L5 C10 V12 I23 A24 A30 G31 A32 V34 I98 V100 I264L5-L27 HydrophobicContact CD1-CD2 3.57Å; C10-L27 HydrophobicContact CB-CD1 4.07Å; V12-L27 HydrophobicContact CG2-CD1 3.55Å; I23-L27 HydrophobicContact CG2-CD1 3.85Å; I23-L27 HydrophobicContact CG2-CG 4.3Å; I23-L27 WeakPolarHBondContact O-CG 3.48Å; I23-L27 PolarHBondContact O-N 2.98Å; A24-L27 PolarHBondContact O-N 3.42Å; L27-A30 WeakPolarHBondContact O-CB 3.43Å; L27-A30 PolarHBondContact O-N 3.2Å; L27-G31 PolarHBondContact O-N 3.46Å; L27-A32 VanDerWaalsContact O-CB 3.32Å; L27-A32 WeakPolarHBondContact O-CB 3.35Å; L27-A32 PolarHBondContact O-N 3.21Å; L27-V34 HydrophobicContact CB-CG1 4.48Å; L27-V34 HydrophobicContact CB-CG2 3.68Å; L27-V34 HydrophobicContact CD1-CG1 4.46Å; L27-I98 HydrophobicContact CD2-CD1 4.42Å; L27-V100 HydrophobicContact CD1-CG2 4.48Å; L27-I264 HydrophobicContact CD2-CG1 3.94Å
28G97.4Very high97.3Very high0 Ų013 Ų130%07%0.069CC..Hα-helixtrans-64.5-41.7173.900000112.4A24 M25 E26 A30 G31 S64 G66A24-G28 PolarHBondContact O-N 3Å; M25-G28 PolarHBondContact O-N 3.25Å; E26-G28 VanDerWaalsContact C-N 3.32Å; E26-G28 PolarHBondContact O-N 3.24Å; G28-A30 PolarHBondContact O-N 3.2Å; G28-G31 PolarHBondContact O-N 2.8Å; G28-S64 PolarHBondContact O-OG 3.42Å; G28-G66 WeakPolarHBondContact O-CA 3.46Å
29Q95.3Very high97.2Very high98 Ų9820.2 Ų20.246%0.4589%0.094SC..Hα-helixtrans-63.6-29173.2-73.5178.615.900112.7M25 E26 G31 S64M25-Q29 WeakPolarHBondContact O-CG 3.35Å; M25-Q29 PolarHBondContact O-N 3.39Å; E26-Q29 PolarHBondContact O-N 3Å; Q29-G31 PolarHBondContact O-N 2.95Å; Q29-S64 WeakPolarHBondContact O-CB 3.23Å
30A96.3Very high96.7Very high10 Ų1020.3 Ų20.38%0.08310%0.096CC..THydrogen-bonded Turntrans-76.92.517200000113.8G3 K4 L5 E26 L27 G28 I264G3-A30 CarbonylContact C-O 3.47Å; G3-A30 WeakPolarHBondContact CA-O 3.33Å; K4-A30 PolarHBondContact N-O 2.95Å; K4-A30 VanDerWaalsContact N-O 3.11Å; L5-A30 CarbonylContact C-O 3.58Å; L5-A30 WeakPolarHBondContact CA-O 3.41Å; L5-A30 HydrophobicContact CB-CB 4.04Å; L5-A30 HydrophobicContact CD1-CB 4Å; L5-A30 HydrophobicContact CG-CB 3.94Å; L5-A30 PolarHBondContact N-O 2.96Å; E26-A30 PolarHBondContact O-N 2.91Å; L27-A30 WeakPolarHBondContact O-CB 3.43Å; L27-A30 PolarHBondContact O-N 3.2Å; G28-A30 PolarHBondContact O-N 3.2Å; A30-I264 HydrophobicContact CB-CD1 4.02Å; A30-I264 HydrophobicContact CB-CG1 4.25Å; A30-I264 HydrophobicContact CB-CG2 4.15Å
31G96.3Very high96.1Very high3 Ų323.3 Ų23.33%0.03111%0.112CC..THydrogen-bonded Turntrans86.411.617500000115H6 L27 G28 Q29H6-G31 WeakPolarHBondContact CA-O 3.41Å; L27-G31 PolarHBondContact O-N 3.46Å; G28-G31 PolarHBondContact O-N 2.8Å; Q29-G31 PolarHBondContact O-N 2.95Å
32A98Very high95.5Very high0 Ų028.7 Ų28.70%014%0.135CC..  trans-74.6160.2179.700000112.7L5 L27 V34 G66 K67L5-A32 HydrophobicContact CB-CB 3.98Å; L5-A32 WeakPolarHBondContact O-CA 3.31Å; L27-A32 VanDerWaalsContact O-CB 3.32Å; L27-A32 WeakPolarHBondContact O-CB 3.35Å; L27-A32 PolarHBondContact O-N 3.21Å; A32-V34 HydrophobicContact CB-CG2 3.88Å; A32-G66 VanDerWaalsContact O-CA 3.31Å; A32-G66 WeakPolarHBondContact O-CA 3.49Å; A32-K67 PolarHBondContact O-N 2.98Å
33I98.4Very high94.6Very high37 Ų3732 Ų3219%0.1916%0.159CC..EExtended strand (participates in β ladder)trans-86.5113.7160.4-57.8172000106.6C8 V9 C10 Y35 K67 I69 Q92C8-I33 PolarHBondContact O-N 3.13Å; V9-I33 CarbonylContact C-O 3.42Å; V9-I33 WeakPolarHBondContact CA-O 3.46Å; V9-I33 HydrophobicContact CG2-CB 4.5Å; V9-I33 HydrophobicContact CG2-CD1 4.5Å; C10-I33 PolarHBondContact N-O 3.31Å; I33-Y35 HydrophobicContact CG2-CE2 4.12Å; I33-K67 CarbonylContact C-O 3.59Å; I33-K67 VanDerWaalsContact CA-O 3.3Å; I33-K67 WeakPolarHBondContact CA-O 3.03Å; I33-I69 HydrophobicContact CG2-CD1 3.95Å; I33-Q92 VanDerWaalsContact CD1-OE1 3.28Å
34V98.6Very high93.4Very high0 Ų036.1 Ų36.10%018%0.18CC..EExtended strand (participates in β ladder)trans-116.9109.5-171.8-168.60000110.1C10 V12 A24 L27 A32 I36 K67 C68 I69C10-V34 HydrophobicContact CB-CG2 4.5Å; C10-V34 CarbonylContact O-C 3.55Å; C10-V34 WeakPolarHBondContact O-CA 3.47Å; V12-V34 HydrophobicContact CG2-CG1 4.04Å; A24-V34 HydrophobicContact CB-CG1 4.2Å; L27-V34 HydrophobicContact CB-CG1 4.48Å; L27-V34 HydrophobicContact CB-CG2 3.68Å; L27-V34 HydrophobicContact CD1-CG1 4.46Å; A32-V34 HydrophobicContact CB-CG2 3.88Å; V34-I36 HydrophobicContact CG1-CG2 3.96Å; V34-K67 PolarHBondContact N-O 3.39Å; V34-C68 CarbonylContact O-C 3.58Å; V34-C68 VanDerWaalsContact O-CA 3.28Å; V34-C68 WeakPolarHBondContact O-CA 3.06Å; V34-C68 PolarHBondContact O-SG 2.76Å; V34-I69 PolarHBondContact O-N 3.21Å
35Y98.8Very high92Very high0 Ų039.4 Ų39.40%021%0.214CC..EExtended strand (participates in β ladder)trans-75.8130.5163.5-69.7-99.1000108.8V9 C10 L11 V12 I33 I69 V71 I88 E91 Q92V9-Y35 HydrophobicContact CG1-CD2 4.3Å; V9-Y35 HydrophobicContact CG1-CE2 4.13Å; C10-Y35 PolarHBondContact O-N 3.48Å; L11-Y35 WeakPolarHBondContact CA-O 3.41Å; V12-Y35 PolarHBondContact N-O 3.27Å; I33-Y35 HydrophobicContact CG2-CE2 4.12Å; Y35-I69 WeakPolarHBondContact CA-O 3.14Å; Y35-I69 HydrophobicContact CD1-CB 3.92Å; Y35-I69 HydrophobicContact CD1-CG2 3.87Å; Y35-I69 HydrophobicContact CE1-CB 3.96Å; Y35-I69 HydrophobicContact CE1-CD1 3.88Å; Y35-I69 HydrophobicContact CE1-CG2 3.68Å; Y35-I69 HydrophobicContact CE2-CD1 3.95Å; Y35-I69 HydrophobicContact CG-CB 4.4Å; Y35-V71 HydrophobicContact CD1-CG2 3.97Å; Y35-I88 HydrophobicContact CD1-CD1 4.19Å; Y35-I88 HydrophobicContact CD1-CG1 3.7Å; Y35-I88 HydrophobicContact CD2-CD1 4.18Å; Y35-I88 HydrophobicContact CD2-CG1 3.9Å; Y35-I88 HydrophobicContact CD2-CG2 4.26Å; Y35-I88 HydrophobicContact CE1-CG1 3.75Å; Y35-I88 HydrophobicContact CE2-CB 4.45Å; Y35-I88 HydrophobicContact CE2-CG1 3.97Å; Y35-I88 HydrophobicContact CE2-CG2 3.97Å; Y35-I88 HydrophobicContact CG-CD1 3.9Å; Y35-I88 HydrophobicContact CG-CG1 3.77Å; Y35-E91 WeakPolarHBondContact OH-CB 3.27Å; Y35-E91 PolarHBondContact OH-OE2 3.12Å; Y35-Q92 HydrophobicContact CE2-CG 4Å; Y35-Q92 PolarHBondContact OH-NE2 3.44Å
36I98.7Very high90.3Very high0 Ų046.5 Ų46.50%024%0.244CC..EExtended strand (participates in β ladder)trans-120.5136.4173.759.9172.6000109.7A15 A24 V34 L52 T55 A56 C68 I69 P70 V71A15-I36 HydrophobicContact CB-CB 3.74Å; A15-I36 HydrophobicContact CB-CG2 3.75Å; A24-I36 HydrophobicContact CB-CG2 3.48Å; A24-I36 VanDerWaalsContact CB-CG2 3.48Å; V34-I36 HydrophobicContact CG1-CG2 3.96Å; I36-L52 HydrophobicContact CB-CD2 4.3Å; I36-L52 HydrophobicContact CD1-CB 4.3Å; I36-L52 HydrophobicContact CD1-CD2 4.11Å; I36-L52 WeakPolarHBondContact CD1-O 3.45Å; I36-L52 HydrophobicContact CG1-CD2 4.07Å; I36-T55 HydrophobicContact CD1-CG2 3.65Å; I36-A56 HydrophobicContact CD1-CB 4.15Å; I36-C68 VanDerWaalsContact CD1-SG 3.52Å; I36-I69 PolarHBondContact N-O 2.68Å; I36-P70 HydrophobicContact CD1-CB 4.32Å; I36-P70 HydrophobicContact CG1-CB 4.05Å; I36-V71 PolarHBondContact O-N 2.84Å
37T98.5Very high88.7Confident0 Ų049.7 Ų49.70%026%0.262CS..EExtended strand (participates in β ladder)trans-127.6156.3-17860.60000113.1L11 V12 T13 G14 A15 V71 V73 H75 L84L11-T37 HydrophobicContact CD1-CG2 3.78Å; V12-T37 PolarHBondContact O-N 3.01Å; T13-T37 WeakPolarHBondContact CA-OG1 3.4Å; G14-T37 CarbonylContact C-O 3.36Å; G14-T37 WeakPolarHBondContact CA-O 3.31Å; G14-T37 PolarHBondContact N-O 3.48Å; A15-T37 PolarHBondContact N-O 2.98Å; T37-V71 WeakPolarHBondContact CA-O 3.16Å; T37-V71 HydrophobicContact CG2-CB 4.25Å; T37-V73 HydrophobicContact CG2-CB 4.23Å; T37-V73 HydrophobicContact CG2-CG2 3.79Å; T37-H75 PolarHBondContact OG1-NE2 3.07Å; T37-L84 HydrophobicContact CG2-CD1 3.71Å; T37-L84 HydrophobicContact CG2-CD2 3.68Å; T37-L84 HydrophobicContact CG2-CG 4.33Å
38G95.3Very high87.1Confident8 Ų852.8 Ų52.88%0.08228%0.281CS..EExtended strand (participates in β ladder)trans168.5170.9-176.400000109.7A72 V73G38-A72 WeakPolarHBondContact O-CA 3.44Å; G38-V73 CarbonylContact C-O 3.48Å; G38-V73 PolarHBondContact O-N 3.35Å
39R91.6Very high86.1Confident158 Ų15860.6 Ų60.660%0.59632%0.317SS*.SBendtrans-80.2-33.5-178.2-66.5173-66.5175.20.9112.6L41 D74R39-L41 PolarHBondContact O-N 3.25Å; R39-D74 HydrophobicContact CG-CB 4.31Å
40T86.8Confident85.3Confident32 Ų3256.2 Ų56.220%0.19630%0.298CS..  trans-93.292.1-174.8-50.60000110.4K42 L52T40-K42 WeakPolarHBondContact CG2-O 3.43Å; T40-L52 PolarHBondContact O-N 2.93Å
41L85.6Confident84.9Confident63 Ų6356.1 Ų56.133%0.3330%0.296SS..SBendtrans-67.5-52176.2-175.361.2000111.4R39 S51 L52 E53 P70 A72R39-L41 PolarHBondContact O-N 3.25Å; L41-S51 WeakPolarHBondContact O-CB 3.27Å; L41-L52 HydrophobicContact CD1-CB 4.19Å; L41-L52 HydrophobicContact CD1-CD1 4.28Å; L41-L52 PolarHBondContact O-N 3.18Å; L41-E53 HydrophobicContact CD1-CG 4.17Å; L41-E53 HydrophobicContact CG-CG 4.3Å; L41-E53 WeakPolarHBondContact O-CG 3.22Å; L41-E53 PolarHBondContact O-N 3.47Å; L41-E53 VanDerWaalsContact O-N 3.08Å; L41-P70 HydrophobicContact CD1-CB 4.06Å; L41-P70 HydrophobicContact CD1-CG 4.48Å; L41-A72 HydrophobicContact CB-CB 4.26Å
42K84.1Confident84.8Confident139 Ų13956 Ų5660%0.60430%0.295SS*.SBendtrans-114.2146.7175.8-73.4-177.1177.7-175.20110.1T40 D44 E53T40-K42 WeakPolarHBondContact CG2-O 3.43Å; K42-D44 PolarHBondContact O-N 2.91Å; K42-E53 WeakPolarHBondContact CE-OE1 3.36Å; K42-E53 WeakPolarHBondContact CE-OE2 3.38Å; K42-E53 VanDerWaalsContact CG-CD 3.41Å; K42-E53 HydrophobicContact CG-CG 4.41Å; K42-E53 WeakPolarHBondContact CG-OE1 2.9Å; K42-E53 VanDerWaalsContact CG-OE2 3.22Å; K42-E53 WeakPolarHBondContact CG-OE2 3.41Å
43S77.9Confident84.6Confident72 Ų7259.5 Ų59.550%0.50331%0.312SS..  trans-61.7133.5172.3-1760000109.7G45S43-G45 PolarHBondContact OG-N 3.05Å
44D73Confident84.3Confident86 Ų8661.3 Ų61.346%0.4632%0.319SS..  trans-1001.5173.566-4.7000112.5K42 K46 N47K42-D44 PolarHBondContact O-N 2.91Å; D44-K46 PolarHBondContact O-N 3.26Å; D44-K46 VanDerWaalsContact O-N 3.14Å; D44-K46 PolarHBondContact OD1-N 3.29Å; D44-N47 PolarHBondContact OD1-N 3.31Å; D44-N47 PolarHBondContact OD1-ND2 2.91Å; D44-N47 VanDerWaalsContact OD1-ND2 3.16Å; D44-N47 PolarHBondContact OD2-ND2 3.42Å
45G69.1Low84Confident68 Ų6861.3 Ų61.370%0.70132%0.319SS*.SBendtrans66.34.2-176.200000115S43S43-G45 PolarHBondContact OG-N 3.05Å
46K61.6Low83.9Confident181 Ų18161.5 Ų61.579%0.78732%0.321SS*.SBendtrans-104.9-25.2-175-67-179.8-178179.90113.6D44D44-K46 PolarHBondContact O-N 3.26Å; D44-K46 VanDerWaalsContact O-N 3.14Å; D44-K46 PolarHBondContact OD1-N 3.29Å
47N63.9Low83.7Confident88 Ų8867 Ų6747%0.47135%0.347SS..SBendtrans-101.8166.2-178.4-65.6-72000111.5D44 E49D44-N47 PolarHBondContact OD1-N 3.31Å; D44-N47 PolarHBondContact OD1-ND2 2.91Å; D44-N47 VanDerWaalsContact OD1-ND2 3.16Å; D44-N47 PolarHBondContact OD2-ND2 3.42Å; N47-E49 PolarHBondContact O-N 3.37Å
48V64.6Low83.4Confident66 Ų6670 Ų7040%0.437%0.365SS..SBendtrans-45.2135.4166178.50000108.9R17 E229R17-V48 PolarHBondContact NH1-O 3.48Å; V48-E229 HydrophobicContact CG1-CB 4.13Å
49E75.4Confident83.3Confident164 Ų16469.8 Ų69.877%0.76636%0.362SS*.SBendtrans-51154.6-172.8-66-174.4162.200113.4N47N47-E49 PolarHBondContact O-N 3.37Å
50G79Confident83.5Confident5 Ų565.6 Ų65.65%0.05235%0.351CS..  trans118.4137.5-178.900000113.6T16 E54T16-G50 WeakPolarHBondContact CG2-O 3.36Å; G50-E54 WeakPolarHBondContact CA-OE2 3.35Å
51S88.4Confident83.8Confident8 Ų869.5 Ų69.56%0.05637%0.371CS..  trans-141.7160.417170.10000110.1L41 E53 E54 T55L41-S51 WeakPolarHBondContact O-CB 3.27Å; S51-E53 VanDerWaalsContact C-N 3.26Å; S51-E53 PolarHBondContact O-N 2.96Å; S51-E54 PolarHBondContact O-N 2.68Å; S51-E54 WeakPolarHBondContact OG-CB 3.42Å; S51-E54 PolarHBondContact OG-N 2.94Å; S51-E54 VanDerWaalsContact OG-N 3.12Å; S51-T55 PolarHBondContact O-N 3.27Å; S51-T55 VanDerWaalsContact O-N 3.15Å; S51-T55 PolarHBondContact O-OG1 3.06Å
52L93Very high83.9Confident0 Ų068 Ų680%037%0.366CS..Hα-helixtrans-62.8-37.1174.4-64.9175.5000111.5I36 T40 L41 T55 A56 P70 V71I36-L52 HydrophobicContact CB-CD2 4.3Å; I36-L52 HydrophobicContact CD1-CB 4.3Å; I36-L52 HydrophobicContact CD1-CD2 4.11Å; I36-L52 WeakPolarHBondContact CD1-O 3.45Å; I36-L52 HydrophobicContact CG1-CD2 4.07Å; T40-L52 PolarHBondContact O-N 2.93Å; L41-L52 HydrophobicContact CD1-CB 4.19Å; L41-L52 HydrophobicContact CD1-CD1 4.28Å; L41-L52 PolarHBondContact O-N 3.18Å; L52-T55 PolarHBondContact O-N 3.49Å; L52-A56 VanDerWaalsContact O-CB 3.31Å; L52-A56 WeakPolarHBondContact O-CB 3.04Å; L52-A56 PolarHBondContact O-N 2.79Å; L52-P70 HydrophobicContact CB-CB 3.64Å; L52-V71 WeakPolarHBondContact CD1-O 3.22Å
53E93.9Very high83.8Confident75 Ų7570 Ų7035%0.3538%0.383SS..Hα-helixtrans-63.7-41.7177.6-74.2-177.1-172.600112.3L41 K42 S51 A56 E57L41-E53 HydrophobicContact CD1-CG 4.17Å; L41-E53 HydrophobicContact CG-CG 4.3Å; L41-E53 WeakPolarHBondContact O-CG 3.22Å; L41-E53 PolarHBondContact O-N 3.47Å; L41-E53 VanDerWaalsContact O-N 3.08Å; K42-E53 WeakPolarHBondContact CE-OE1 3.36Å; K42-E53 WeakPolarHBondContact CE-OE2 3.38Å; K42-E53 VanDerWaalsContact CG-CD 3.41Å; K42-E53 HydrophobicContact CG-CG 4.41Å; K42-E53 WeakPolarHBondContact CG-OE1 2.9Å; K42-E53 VanDerWaalsContact CG-OE2 3.22Å; K42-E53 WeakPolarHBondContact CG-OE2 3.41Å; S51-E53 VanDerWaalsContact C-N 3.26Å; S51-E53 PolarHBondContact O-N 2.96Å; E53-A56 PolarHBondContact O-N 3.04Å; E53-E57 VanDerWaalsContact O-CB 3.28Å; E53-E57 WeakPolarHBondContact O-CB 3.5Å; E53-E57 PolarHBondContact O-N 2.77Å
54E92.1Very high84Confident74 Ų7468 Ų6835%0.34637%0.369SS..Hα-helixtrans-63.9-43.7176.7-173.8-155.6133.100111.9K21 G50 S51 A56 E57 T58K21-E54 IonicContact NZ-OE1 2.68Å; K21-E54 PolarHBondContact NZ-OE1 2.88Å; G50-E54 WeakPolarHBondContact CA-OE2 3.35Å; S51-E54 PolarHBondContact O-N 2.68Å; S51-E54 WeakPolarHBondContact OG-CB 3.42Å; S51-E54 PolarHBondContact OG-N 2.94Å; S51-E54 VanDerWaalsContact OG-N 3.12Å; E54-A56 VanDerWaalsContact C-N 3.34Å; E54-E57 PolarHBondContact O-N 2.98Å; E54-T58 WeakPolarHBondContact O-CB 3.4Å; E54-T58 PolarHBondContact O-N 3.06Å; E54-T58 PolarHBondContact O-OG1 2.79Å
55T93.2Very high84.5Confident0 Ų066.9 Ų66.90%038%0.377CS..Hα-helixtrans-62.1-43.8174.5-630000110.8A15 K21 A24 I36 S51 L52 T58 I59A15-T55 PolarHBondContact O-OG1 2.91Å; K21-T55 HydrophobicContact CB-CG2 4.49Å; K21-T55 WeakPolarHBondContact CD-OG1 3.46Å; K21-T55 HydrophobicContact CG-CG2 3.92Å; K21-T55 WeakPolarHBondContact CG-OG1 3.36Å; A24-T55 HydrophobicContact CB-CG2 4.42Å; I36-T55 HydrophobicContact CD1-CG2 3.65Å; S51-T55 PolarHBondContact O-N 3.27Å; S51-T55 VanDerWaalsContact O-N 3.15Å; S51-T55 PolarHBondContact O-OG1 3.06Å; L52-T55 PolarHBondContact O-N 3.49Å; T55-T58 PolarHBondContact O-N 3.17Å; T55-I59 HydrophobicContact CG2-CD1 3.95Å; T55-I59 WeakPolarHBondContact O-CD1 3.48Å; T55-I59 WeakPolarHBondContact O-CG1 3.34Å; T55-I59 PolarHBondContact O-N 3.31Å; T55-I59 VanDerWaalsContact O-N 3.14Å
56A95.9Very high85.7Confident4 Ų464.1 Ų64.13%0.03335%0.349CS..Hα-helixtrans-65.6-41.3178.700000112.2I36 L52 E53 E54 I59 N60 C68 P70I36-A56 HydrophobicContact CD1-CB 4.15Å; L52-A56 VanDerWaalsContact O-CB 3.31Å; L52-A56 WeakPolarHBondContact O-CB 3.04Å; L52-A56 PolarHBondContact O-N 2.79Å; E53-A56 PolarHBondContact O-N 3.04Å; E54-A56 VanDerWaalsContact C-N 3.34Å; A56-I59 PolarHBondContact O-N 2.94Å; A56-N60 VanDerWaalsContact O-CB 3.25Å; A56-N60 WeakPolarHBondContact O-CB 3.39Å; A56-N60 PolarHBondContact O-N 2.86Å; A56-N60 PolarHBondContact O-ND2 3.45Å; A56-N60 VanDerWaalsContact O-ND2 3.12Å; A56-C68 HydrophobicContact CB-CB 4.07Å; A56-P70 HydrophobicContact CB-CB 4.18Å; A56-P70 HydrophobicContact CB-CG 3.82Å
57E94.8Very high87.4Confident117 Ų11761.2 Ų61.255%0.54734%0.336SS..Hα-helixtrans-61.9-47176-177.8173.9-167.100110.8E53 E54 I59 N60 N61E53-E57 VanDerWaalsContact O-CB 3.28Å; E53-E57 WeakPolarHBondContact O-CB 3.5Å; E53-E57 PolarHBondContact O-N 2.77Å; E54-E57 PolarHBondContact O-N 2.98Å; E57-I59 PolarHBondContact O-N 3.02Å; E57-N60 PolarHBondContact O-N 3.3Å; E57-N61 WeakPolarHBondContact CG-ND2 3.24Å; E57-N61 VanDerWaalsContact O-CB 3.23Å; E57-N61 WeakPolarHBondContact O-CB 3.39Å; E57-N61 VanDerWaalsContact O-CG 3.28Å; E57-N61 PolarHBondContact O-N 2.98Å; E57-N61 PolarHBondContact O-ND2 3.15Å
58T92.5Very high89Confident61 Ų6157.2 Ų57.237%0.37432%0.315SS..Hα-helixtrans-54.9-41.1175.8-59.10000111.7M25 E54 T55M25-T58 HydrophobicContact CE-CG2 3.98Å; E54-T58 WeakPolarHBondContact O-CB 3.4Å; E54-T58 PolarHBondContact O-N 3.06Å; E54-T58 PolarHBondContact O-OG1 2.79Å; T55-T58 PolarHBondContact O-N 3.17Å
59I93.7Very high90.6Very high4 Ų454.9 Ų54.92%0.02130%0.301CS..Hα-helixtrans-75.5-47.4179.8-66.2164.3000111.6A24 M25 T55 A56 E57 N61 S62 C68A24-I59 HydrophobicContact CB-CD1 3.97Å; A24-I59 WeakPolarHBondContact O-CD1 3.45Å; M25-I59 HydrophobicContact CG-CD1 4.48Å; M25-I59 HydrophobicContact CG-CG1 4.21Å; T55-I59 HydrophobicContact CG2-CD1 3.95Å; T55-I59 WeakPolarHBondContact O-CD1 3.48Å; T55-I59 WeakPolarHBondContact O-CG1 3.34Å; T55-I59 PolarHBondContact O-N 3.31Å; T55-I59 VanDerWaalsContact O-N 3.14Å; A56-I59 PolarHBondContact O-N 2.94Å; E57-I59 PolarHBondContact O-N 3.02Å; I59-N61 VanDerWaalsContact C-N 3.3Å; I59-N61 PolarHBondContact O-N 3.37Å; I59-S62 VanDerWaalsContact O-CB 3.28Å; I59-S62 WeakPolarHBondContact O-CB 3.45Å; I59-S62 PolarHBondContact O-N 2.9Å; I59-S62 PolarHBondContact O-OG 3.41Å; I59-C68 HydrophobicContact CB-CB 3.72Å; I59-C68 HydrophobicContact CD1-CB 3.96Å; I59-C68 HydrophobicContact CG1-CB 4.45Å; I59-C68 HydrophobicContact CG2-CB 3.66Å
60N95.2Very high91.7Very high71 Ų7148.8 Ų48.838%0.3828%0.275SS..Hα-helixtrans-67.8-30.6-176.4-73.7-32.8000112.4A56 E57 S62 K67 C68A56-N60 VanDerWaalsContact O-CB 3.25Å; A56-N60 WeakPolarHBondContact O-CB 3.39Å; A56-N60 PolarHBondContact O-N 2.86Å; A56-N60 PolarHBondContact O-ND2 3.45Å; A56-N60 VanDerWaalsContact O-ND2 3.12Å; E57-N60 PolarHBondContact O-N 3.3Å; N60-S62 PolarHBondContact O-N 3.27Å; N60-K67 WeakPolarHBondContact OD1-CA 3.23Å; N60-C68 PolarHBondContact ND2-O 3.16Å; N60-C68 PolarHBondContact OD1-N 2.98Å
61N93.5Very high92.6Very high114 Ų11449.2 Ų49.261%0.6128%0.277SS*.THydrogen-bonded Turntrans-81.7-2.3174.7-66.7-16000112.7E57 I59E57-N61 WeakPolarHBondContact CG-ND2 3.24Å; E57-N61 VanDerWaalsContact O-CB 3.23Å; E57-N61 WeakPolarHBondContact O-CB 3.39Å; E57-N61 VanDerWaalsContact O-CG 3.28Å; E57-N61 PolarHBondContact O-N 2.98Å; E57-N61 PolarHBondContact O-ND2 3.15Å; I59-N61 VanDerWaalsContact C-N 3.3Å; I59-N61 PolarHBondContact O-N 3.37Å
62S86.6Confident93Very high32 Ų3251.2 Ų51.222%0.22429%0.294CS..SBendtrans-78.7138.7172.880.50000110.6I59 N60 S64I59-S62 VanDerWaalsContact O-CB 3.28Å; I59-S62 WeakPolarHBondContact O-CB 3.45Å; I59-S62 PolarHBondContact O-N 2.9Å; I59-S62 PolarHBondContact O-OG 3.41Å; N60-S62 PolarHBondContact O-N 3.27Å; S62-S64 PolarHBondContact O-N 2.92Å; S62-S64 PolarHBondContact OG-OG 3.5Å; S62-S64 VanDerWaalsContact OG-OG 3.07Å
63N82.2Confident93.2Very high179 Ų17951.5 Ų51.596%0.95730%0.295SS*.THydrogen-bonded Turntrans-73.324.1179.3-69.3-39.2000113.7
64S82Confident93.4Very high32 Ų3250.4 Ų50.422%0.22429%0.292CS..THydrogen-bonded Turntrans-83.4-19.4-175.6680000114.3G28 Q29 S62 G66G28-S64 PolarHBondContact O-OG 3.42Å; Q29-S64 WeakPolarHBondContact O-CB 3.23Å; S62-S64 PolarHBondContact O-N 2.92Å; S62-S64 PolarHBondContact OG-OG 3.5Å; S62-S64 VanDerWaalsContact OG-OG 3.07Å; S64-G66 VanDerWaalsContact C-N 3.26Å; S64-G66 PolarHBondContact OG-N 2.9Å; S64-G66 VanDerWaalsContact OG-N 3.12Å
65G84.7Confident93.7Very high61 Ų6147.3 Ų47.363%0.62928%0.277SS*.  trans77.35.8-170.800000114.5
66G93.4Very high93.8Very high10 Ų1049.1 Ų49.110%0.10329%0.293CS..  trans-72158.8168.400000111.8G28 A32 S64G28-G66 WeakPolarHBondContact O-CA 3.46Å; A32-G66 VanDerWaalsContact O-CA 3.31Å; A32-G66 WeakPolarHBondContact O-CA 3.49Å; S64-G66 VanDerWaalsContact C-N 3.26Å; S64-G66 PolarHBondContact OG-N 2.9Å; S64-G66 VanDerWaalsContact OG-N 3.12Å
67K96.7Very high93.9Very high120 Ų12051.6 Ų51.652%0.52231%0.305SS..EExtended strand (participates in β ladder)trans-127.5126.7177.3-177.5179-179.1179.80109.5A32 I33 V34 N60 I69A32-K67 PolarHBondContact O-N 2.98Å; I33-K67 CarbonylContact C-O 3.59Å; I33-K67 VanDerWaalsContact CA-O 3.3Å; I33-K67 WeakPolarHBondContact CA-O 3.03Å; V34-K67 PolarHBondContact N-O 3.39Å; N60-K67 WeakPolarHBondContact OD1-CA 3.23Å; K67-I69 HydrophobicContact CD-CD1 4.49Å; K67-I69 HydrophobicContact CG-CG1 4.35Å
68C98Very high94.1Very high4 Ų448.7 Ų48.73%0.02729%0.294CS..EExtended strand (participates in β ladder)trans-107.7131.3175.3-168.60000111.6V34 I36 A56 I59 N60V34-C68 CarbonylContact O-C 3.58Å; V34-C68 VanDerWaalsContact O-CA 3.28Å; V34-C68 WeakPolarHBondContact O-CA 3.06Å; V34-C68 PolarHBondContact O-SG 2.76Å; I36-C68 VanDerWaalsContact CD1-SG 3.52Å; A56-C68 HydrophobicContact CB-CB 4.07Å; I59-C68 HydrophobicContact CB-CB 3.72Å; I59-C68 HydrophobicContact CD1-CB 3.96Å; I59-C68 HydrophobicContact CG1-CB 4.45Å; I59-C68 HydrophobicContact CG2-CB 3.66Å; N60-C68 PolarHBondContact ND2-O 3.16Å; N60-C68 PolarHBondContact OD1-N 2.98Å
69I98.3Very high94.4Very high18 Ų1851 Ų519%0.09230%0.303CS..EExtended strand (participates in β ladder)trans-120.6103.9-178-57.4168.6000108.3I33 V34 Y35 I36 K67 V71I33-I69 HydrophobicContact CG2-CD1 3.95Å; V34-I69 PolarHBondContact O-N 3.21Å; Y35-I69 WeakPolarHBondContact CA-O 3.14Å; Y35-I69 HydrophobicContact CD1-CB 3.92Å; Y35-I69 HydrophobicContact CD1-CG2 3.87Å; Y35-I69 HydrophobicContact CE1-CB 3.96Å; Y35-I69 HydrophobicContact CE1-CD1 3.88Å; Y35-I69 HydrophobicContact CE1-CG2 3.68Å; Y35-I69 HydrophobicContact CE2-CD1 3.95Å; Y35-I69 HydrophobicContact CG-CB 4.4Å; I36-I69 PolarHBondContact N-O 2.68Å; K67-I69 HydrophobicContact CD-CD1 4.49Å; K67-I69 HydrophobicContact CG-CG1 4.35Å; I69-V71 HydrophobicContact CG2-CG2 4.27Å
70P98.1Very high94.6Very high36 Ų3653.9 Ų53.923%0.23432%0.317CS..EExtended strand (participates in β ladder)trans-77.5135177.231.2-32.7000111.1I36 L41 L52 A56I36-P70 HydrophobicContact CD1-CB 4.32Å; I36-P70 HydrophobicContact CG1-CB 4.05Å; L41-P70 HydrophobicContact CD1-CB 4.06Å; L41-P70 HydrophobicContact CD1-CG 4.48Å; L52-P70 HydrophobicContact CB-CB 3.64Å; A56-P70 HydrophobicContact CB-CB 4.18Å; A56-P70 HydrophobicContact CB-CG 3.82Å
71V98.3Very high94.7Very high14 Ų1450.5 Ų50.59%0.08530%0.299CS..EExtended strand (participates in β ladder)trans-134.3120.6175.9-169.90000109.5Y35 I36 T37 L52 I69 V73 L84Y35-V71 HydrophobicContact CD1-CG2 3.97Å; I36-V71 PolarHBondContact O-N 2.84Å; T37-V71 WeakPolarHBondContact CA-O 3.16Å; T37-V71 HydrophobicContact CG2-CB 4.25Å; L52-V71 WeakPolarHBondContact CD1-O 3.22Å; I69-V71 HydrophobicContact CG2-CG2 4.27Å; V71-V73 HydrophobicContact CB-CG2 4.43Å; V71-V73 HydrophobicContact CG1-CG2 3.95Å; V71-V73 PolarHBondContact O-N 3.48Å; V71-L84 HydrophobicContact CB-CD1 4.01Å; V71-L84 HydrophobicContact CG1-CD1 4Å; V71-L84 HydrophobicContact CG2-CD1 4.18Å
72A97.3Very high95Very high50 Ų5046.8 Ų46.841%0.41328%0.282SS..EExtended strand (participates in β ladder)trans-66.9119.5173.300000109.5G38 L41G38-A72 WeakPolarHBondContact O-CA 3.44Å; L41-A72 HydrophobicContact CB-CB 4.26Å
73V97.9Very high95.6Very high5 Ų551.8 Ų51.83%0.0330%0.299CS..  trans-143.7124.5179178.20000108T37 G38 V71 Q80 I81 L84T37-V73 HydrophobicContact CG2-CB 4.23Å; T37-V73 HydrophobicContact CG2-CG2 3.79Å; G38-V73 CarbonylContact C-O 3.48Å; G38-V73 PolarHBondContact O-N 3.35Å; V71-V73 HydrophobicContact CB-CG2 4.43Å; V71-V73 HydrophobicContact CG1-CG2 3.95Å; V71-V73 PolarHBondContact O-N 3.48Å; V73-Q80 HydrophobicContact CG1-CB 4.08Å; V73-I81 HydrophobicContact CG1-CG1 4.39Å; V73-L84 HydrophobicContact CG2-CB 4.15Å; V73-L84 HydrophobicContact CG2-CD1 4.16Å; V73-L84 HydrophobicContact CG2-CD2 4.22Å; V73-L84 HydrophobicContact CG2-CG 4.4Å
74D97.1Very high96.4Very high53 Ų5343.4 Ų43.428%0.28325%0.254SS..  trans-81.9110.3160.6-165.9-11.1000109.3R39 A76 D77R39-D74 HydrophobicContact CG-CB 4.31Å; D74-A76 PolarHBondContact O-N 3.11Å; D74-A76 VanDerWaalsContact O-N 3.16Å; D74-A76 WeakPolarHBondContact OD1-CB 3.48Å; D74-A76 PolarHBondContact OD1-N 3.21Å; D74-D77 HydrophobicContact CB-CB 4.31Å; D74-D77 WeakPolarHBondContact O-CB 3.49Å; D74-D77 PolarHBondContact O-N 3.14Å
75H97.8Very high97.2Very high8 Ų842 Ų424%0.03724%0.244CC..THydrogen-bonded Turntrans-732.1178.2-80.6-72.6000113.4T13 T37 A103 V136 N140T13-H75 WeakPolarHBondContact CB-NE2 3.29Å; T13-H75 WeakPolarHBondContact CG2-CE1 3.43Å; T37-H75 PolarHBondContact OG1-NE2 3.07Å; H75-A103 HydrophobicContact CB-CB 4.37Å; H75-V136 HydrophobicContact CB-CG1 3.86Å; H75-N140 HydrophobicContact CB-CB 4.22Å; H75-N140 VanDerWaalsContact ND1-CG 3.33Å; H75-N140 PolarHBondContact ND1-ND2 2.94Å; H75-N140 PolarHBondContact ND1-OD1 3.18Å; H75-N140 WeakPolarHBondContact O-CB 3.46Å
76A96.7Very high97.8Very high39 Ų3942.8 Ų42.832%0.32223%0.234SC..THydrogen-bonded Turntrans-85.4-1116400000113.1D74 V136D74-A76 PolarHBondContact O-N 3.11Å; D74-A76 VanDerWaalsContact O-N 3.16Å; D74-A76 WeakPolarHBondContact OD1-CB 3.48Å; D74-A76 PolarHBondContact OD1-N 3.21Å; A76-V136 HydrophobicContact CB-CG2 4.21Å
77D98Very high98.1Very high56 Ų5646 Ų4630%0.29924%0.243SC..  trans-108.8110.3-176-178.4-24.5000110.9D74 D79 Q80 I81D74-D77 HydrophobicContact CB-CB 4.31Å; D74-D77 WeakPolarHBondContact O-CB 3.49Å; D74-D77 PolarHBondContact O-N 3.14Å; D77-D79 VanDerWaalsContact C-N 3.3Å; D77-D79 PolarHBondContact O-N 3.42Å; D77-D79 WeakPolarHBondContact OD1-CB 3.42Å; D77-D79 PolarHBondContact OD1-N 3.14Å; D77-Q80 HydrophobicContact CB-CB 4.19Å; D77-Q80 HydrophobicContact CB-CG 4.09Å; D77-Q80 PolarHBondContact O-N 2.77Å; D77-Q80 PolarHBondContact OD1-N 3.47Å; D77-Q80 WeakPolarHBondContact OD2-CG 3.28Å; D77-Q80 PolarHBondContact OD2-NE2 3.2Å; D77-I81 WeakPolarHBondContact O-CG1 3.5Å; D77-I81 PolarHBondContact O-N 3.24Å; D77-I81 VanDerWaalsContact O-N 3.13Å
78D97.7Very high98.2Very high56 Ų5640.3 Ų40.330%0.29922%0.218SC..Hα-helixtrans-63.9-33.4-176.7-65.9-6.4000113.1Q80 I81 S82 R139 I143D78-Q80 VanDerWaalsContact C-N 3.34Å; D78-I81 PolarHBondContact O-N 2.85Å; D78-S82 PolarHBondContact O-N 3.05Å; D78-R139 VanDerWaalsContact CG-NH1 3.27Å; D78-R139 IonicContact OD1-CZ 3.81Å; D78-R139 IonicContact OD1-NH1 3.06Å; D78-R139 PolarHBondContact OD1-NH1 3.47Å; D78-R139 IonicContact OD1-NH2 2.68Å; D78-R139 IonicContact OD2-CZ 3.9Å; D78-R139 VanDerWaalsContact OD2-CZ 3.32Å; D78-R139 IonicContact OD2-NH1 3.28Å; D78-R139 PolarHBondContact OD2-NH1 2.99Å; D78-R139 IonicContact OD2-NH2 2.76Å; D78-R139 PolarHBondContact OD2-NH2 2.7Å; D78-I143 WeakPolarHBondContact OD1-CD1 3.35Å
79D98.5Very high98.2Very high108 Ų10843.5 Ų43.558%0.57823%0.233SC*.Hα-helixtrans-69.7-37.3179.9-73.6-18.5000110.5D77 S82 K83D77-D79 VanDerWaalsContact C-N 3.3Å; D77-D79 PolarHBondContact O-N 3.42Å; D77-D79 WeakPolarHBondContact OD1-CB 3.42Å; D77-D79 PolarHBondContact OD1-N 3.14Å; D79-S82 PolarHBondContact O-N 2.92Å; D79-K83 WeakPolarHBondContact O-CB 3.31Å; D79-K83 WeakPolarHBondContact O-CD 3.48Å; D79-K83 VanDerWaalsContact O-CG 3.24Å; D79-K83 WeakPolarHBondContact O-CG 3.16Å; D79-K83 PolarHBondContact O-N 3.12Å
80Q98.6Very high98.2Very high66 Ų6650.7 Ų50.731%0.30826%0.259SS..Hα-helixtrans-67.5-38.6174.1-68.6-177.248.500111.8V73 D77 D78 K83 L84V73-Q80 HydrophobicContact CG1-CB 4.08Å; D77-Q80 HydrophobicContact CB-CB 4.19Å; D77-Q80 HydrophobicContact CB-CG 4.09Å; D77-Q80 PolarHBondContact O-N 2.77Å; D77-Q80 PolarHBondContact OD1-N 3.47Å; D77-Q80 WeakPolarHBondContact OD2-CG 3.28Å; D77-Q80 PolarHBondContact OD2-NE2 3.2Å; D78-Q80 VanDerWaalsContact C-N 3.34Å; Q80-K83 PolarHBondContact O-N 2.68Å; Q80-L84 WeakPolarHBondContact O-CB 3.35Å; Q80-L84 PolarHBondContact O-N 2.73Å
81I98.6Very high98.3Very high0 Ų052.8 Ų52.80%027%0.265CS..Hα-helixtrans-62.6-47174.5-62162.4000110.1V73 D77 D78 K83 L84 F85 N140 I143 F147V73-I81 HydrophobicContact CG1-CG1 4.39Å; D77-I81 WeakPolarHBondContact O-CG1 3.5Å; D77-I81 PolarHBondContact O-N 3.24Å; D77-I81 VanDerWaalsContact O-N 3.13Å; D78-I81 PolarHBondContact O-N 2.85Å; I81-K83 PolarHBondContact O-N 3.25Å; I81-L84 WeakPolarHBondContact O-CB 3.41Å; I81-L84 PolarHBondContact O-N 2.8Å; I81-F85 HydrophobicContact CG2-CD2 4.03Å; I81-F85 HydrophobicContact CG2-CE2 3.87Å; I81-F85 VanDerWaalsContact O-CD2 3.31Å; I81-F85 WeakPolarHBondContact O-CD2 3.25Å; I81-F85 PolarHBondContact O-N 3.27Å; I81-N140 HydrophobicContact CD1-CB 4.32Å; I81-N140 WeakPolarHBondContact CD1-OD1 3.41Å; I81-I143 HydrophobicContact CB-CG2 4.44Å; I81-I143 HydrophobicContact CD1-CG2 4.37Å; I81-I143 HydrophobicContact CG2-CG2 3.82Å; I81-F147 HydrophobicContact CG2-CD2 4.11Å; I81-F147 HydrophobicContact CG2-CE2 4.21Å
82S98.6Very high98.3Very high35 Ų3553.9 Ų53.925%0.24527%0.27CS..Hα-helixtrans-59.1-49.2177.6-168.70000111.6D78 D79 L84 F85 D86D78-S82 PolarHBondContact O-N 3.05Å; D79-S82 PolarHBondContact O-N 2.92Å; S82-L84 PolarHBondContact O-N 3.12Å; S82-F85 PolarHBondContact O-N 2.77Å; S82-D86 PolarHBondContact O-N 2.87Å
83K98.8Very high98.3Very high137 Ų13757.3 Ų57.360%0.59628%0.281SS*.Hα-helixtrans-60.4-32.4179.1-73.2167.6-174.1164.30112.9D79 Q80 I81 R87D79-K83 WeakPolarHBondContact O-CB 3.31Å; D79-K83 WeakPolarHBondContact O-CD 3.48Å; D79-K83 VanDerWaalsContact O-CG 3.24Å; D79-K83 WeakPolarHBondContact O-CG 3.16Å; D79-K83 PolarHBondContact O-N 3.12Å; Q80-K83 PolarHBondContact O-N 2.68Å; I81-K83 PolarHBondContact O-N 3.25Å; K83-R87 VanDerWaalsContact O-CB 3.27Å; K83-R87 WeakPolarHBondContact O-CB 3.28Å; K83-R87 PolarHBondContact O-N 3.42Å
84L98.8Very high98.2Very high3 Ų357.8 Ų57.82%0.01629%0.287CS..Hα-helixtrans-62.1-49.4173.3171.171.8000111L11 T37 V71 V73 Q80 I81 S82 R87 I88L11-L84 HydrophobicContact CD1-CD2 4.04Å; L11-L84 HydrophobicContact CD2-CD2 3.69Å; L11-L84 HydrophobicContact CD2-CG 4.49Å; T37-L84 HydrophobicContact CG2-CD1 3.71Å; T37-L84 HydrophobicContact CG2-CD2 3.68Å; T37-L84 HydrophobicContact CG2-CG 4.33Å; V71-L84 HydrophobicContact CB-CD1 4.01Å; V71-L84 HydrophobicContact CG1-CD1 4Å; V71-L84 HydrophobicContact CG2-CD1 4.18Å; V73-L84 HydrophobicContact CG2-CB 4.15Å; V73-L84 HydrophobicContact CG2-CD1 4.16Å; V73-L84 HydrophobicContact CG2-CD2 4.22Å; V73-L84 HydrophobicContact CG2-CG 4.4Å; Q80-L84 WeakPolarHBondContact O-CB 3.35Å; Q80-L84 PolarHBondContact O-N 2.73Å; I81-L84 WeakPolarHBondContact O-CB 3.41Å; I81-L84 PolarHBondContact O-N 2.8Å; S82-L84 PolarHBondContact O-N 3.12Å; L84-R87 WeakPolarHBondContact O-CB 3.3Å; L84-R87 PolarHBondContact O-N 3.12Å; L84-I88 HydrophobicContact CD1-CD1 4.02Å; L84-I88 HydrophobicContact CD1-CG1 4.45Å; L84-I88 HydrophobicContact CG-CD1 4.01Å; L84-I88 WeakPolarHBondContact O-CG1 3.33Å; L84-I88 PolarHBondContact O-N 3.48Å
85F98.9Very high98.3Very high3 Ų357.6 Ų57.61%0.01328%0.282CS..Hα-helixtrans-67.5-40-179.6-78.1-82.1000112.1L11 I81 S82 R87 I88 E89 F96 C144 F147 A148 L151L11-F85 HydrophobicContact CD2-CE1 4.06Å; L11-F85 HydrophobicContact CD2-CE2 4.24Å; L11-F85 HydrophobicContact CD2-CZ 3.69Å; I81-F85 HydrophobicContact CG2-CD2 4.03Å; I81-F85 HydrophobicContact CG2-CE2 3.87Å; I81-F85 VanDerWaalsContact O-CD2 3.31Å; I81-F85 WeakPolarHBondContact O-CD2 3.25Å; I81-F85 PolarHBondContact O-N 3.27Å; S82-F85 PolarHBondContact O-N 2.77Å; F85-R87 VanDerWaalsContact C-N 3.25Å; F85-R87 PolarHBondContact O-N 3.03Å; F85-I88 PolarHBondContact O-N 3.29Å; F85-E89 WeakPolarHBondContact O-CB 3.42Å; F85-E89 PolarHBondContact O-N 3.43Å; F85-F96 HydrophobicContact CD1-CE2 4.45Å; F85-F96 HydrophobicContact CE1-CE2 4.06Å; F85-F96 AromaticContact CE1-CZ 3.91Å; F85-F96 HydrophobicContact CE1-CZ 3.91Å; F85-C144 HydrophobicContact CE2-CB 4.09Å; F85-C144 HydrophobicContact CZ-CB 4.01Å; F85-C144 WeakPolarHBondContact CZ-O 3.31Å; F85-F147 HydrophobicContact CB-CB 3.99Å; F85-F147 HydrophobicContact CB-CG 4.29Å; F85-F147 HydrophobicContact CD1-CB 3.66Å; F85-F147 HydrophobicContact CD2-CB 3.44Å; F85-F147 VanDerWaalsContact CD2-CB 3.44Å; F85-F147 AromaticContact CD2-CD2 3.8Å; F85-F147 HydrophobicContact CD2-CD2 3.8Å; F85-F147 AromaticContact CD2-CG 3.82Å; F85-F147 HydrophobicContact CD2-CG 3.82Å; F85-F147 HydrophobicContact CE1-CB 3.93Å; F85-F147 HydrophobicContact CE2-CB 3.75Å; F85-F147 HydrophobicContact CE2-CD2 4.16Å; F85-F147 HydrophobicContact CE2-CG 4.35Å; F85-F147 HydrophobicContact CG-CB 3.41Å; F85-F147 VanDerWaalsContact CG-CB 3.41Å; F85-F147 HydrophobicContact CG-CD2 4.47Å; F85-F147 HydrophobicContact CG-CG 4.04Å; F85-F147 HydrophobicContact CZ-CB 3.97Å; F85-A148 HydrophobicContact CE1-CB 3.97Å; F85-A148 HydrophobicContact CZ-CB 4.4Å; F85-L151 HydrophobicContact CB-CD1 4.47Å; F85-L151 HydrophobicContact CD1-CD1 3.88Å
86D98.8Very high98.3Very high77 Ų7757.4 Ų57.441%0.41228%0.281SS..Hα-helixtrans-59.3-38.5173.5-64.6-22.4000111.8S82 R90S82-D86 PolarHBondContact O-N 2.87Å; D86-R90 WeakPolarHBondContact O-CB 3.41Å; D86-R90 PolarHBondContact O-N 3.28Å; D86-R90 VanDerWaalsContact O-N 3.13Å
87R98.8Very high98.4Very high78 Ų7856 Ų5629%0.29427%0.269SS..Hα-helixtrans-65.2-48.3175.7177.2177.6-179.8-176.9-4.1111.3K83 L84 F85 R90 E91K83-R87 VanDerWaalsContact O-CB 3.27Å; K83-R87 WeakPolarHBondContact O-CB 3.28Å; K83-R87 PolarHBondContact O-N 3.42Å; L84-R87 WeakPolarHBondContact O-CB 3.3Å; L84-R87 PolarHBondContact O-N 3.12Å; F85-R87 VanDerWaalsContact C-N 3.25Å; F85-R87 PolarHBondContact O-N 3.03Å; R87-R90 PolarHBondContact O-N 2.8Å; R87-E91 HydrophobicContact CG-CG 4.26Å; R87-E91 VanDerWaalsContact CG-OE1 3.27Å; R87-E91 WeakPolarHBondContact CG-OE1 3.27Å; R87-E91 IonicContact CZ-OE1 2.8Å; R87-E91 IonicContact NE-OE1 2.79Å; R87-E91 PolarHBondContact NE-OE1 3.32Å; R87-E91 IonicContact NE-OE2 3.42Å; R87-E91 IonicContact NH2-OE1 3.12Å; R87-E91 PolarHBondContact NH2-OE1 3.06Å; R87-E91 IonicContact NH2-OE2 3.5Å; R87-E91 WeakPolarHBondContact O-CB 3.4Å; R87-E91 WeakPolarHBondContact O-CG 3.47Å; R87-E91 PolarHBondContact O-N 3.14Å
88I98.8Very high98.5Very high0 Ų053.6 Ų53.60%026%0.256CS..Hα-helixtrans-62.7-45.8-179.2-64.6167.2000110.2V9 L11 Y35 L84 F85 R90 E91 Q92 F96V9-I88 HydrophobicContact CG1-CG2 3.77Å; L11-I88 HydrophobicContact CB-CD1 4.45Å; L11-I88 HydrophobicContact CD1-CD1 4.47Å; L11-I88 HydrophobicContact CD2-CD1 4.17Å; Y35-I88 HydrophobicContact CD1-CD1 4.19Å; Y35-I88 HydrophobicContact CD1-CG1 3.7Å; Y35-I88 HydrophobicContact CD2-CD1 4.18Å; Y35-I88 HydrophobicContact CD2-CG1 3.9Å; Y35-I88 HydrophobicContact CD2-CG2 4.26Å; Y35-I88 HydrophobicContact CE1-CG1 3.75Å; Y35-I88 HydrophobicContact CE2-CB 4.45Å; Y35-I88 HydrophobicContact CE2-CG1 3.97Å; Y35-I88 HydrophobicContact CE2-CG2 3.97Å; Y35-I88 HydrophobicContact CG-CD1 3.9Å; Y35-I88 HydrophobicContact CG-CG1 3.77Å; L84-I88 HydrophobicContact CD1-CD1 4.02Å; L84-I88 HydrophobicContact CD1-CG1 4.45Å; L84-I88 HydrophobicContact CG-CD1 4.01Å; L84-I88 WeakPolarHBondContact O-CG1 3.33Å; L84-I88 PolarHBondContact O-N 3.48Å; F85-I88 PolarHBondContact O-N 3.29Å; I88-R90 VanDerWaalsContact C-N 3.34Å; I88-R90 PolarHBondContact O-N 2.75Å; I88-E91 PolarHBondContact O-N 3.44Å; I88-Q92 HydrophobicContact CG2-CG 4.21Å; I88-Q92 VanDerWaalsContact O-CB 3.32Å; I88-Q92 WeakPolarHBondContact O-CB 3.34Å; I88-Q92 WeakPolarHBondContact O-CG 3.17Å; I88-Q92 PolarHBondContact O-N 3.08Å; I88-F96 HydrophobicContact CD1-CE2 4.12Å; I88-F96 HydrophobicContact CG2-CD2 3.72Å; I88-F96 HydrophobicContact CG2-CE2 4.15Å
89E98.7Very high98.5Very high72 Ų7251 Ų5134%0.33624%0.242SC..Hα-helixtrans-55.5-49.9177.6-173.5176.4-152.800111.3F85 N93 G94 L151F85-E89 WeakPolarHBondContact O-CB 3.42Å; F85-E89 PolarHBondContact O-N 3.43Å; E89-N93 PolarHBondContact O-N 3.43Å; E89-G94 PolarHBondContact O-N 2.83Å; E89-L151 HydrophobicContact CB-CD1 4.25Å; E89-L151 HydrophobicContact CB-CD2 3.81Å; E89-L151 VanDerWaalsContact CD-CD2 3.41Å; E89-L151 HydrophobicContact CG-CD2 3.71Å
90R98.6Very high98.6Very high169 Ų16945.8 Ų45.864%0.63821%0.214SC*.Hα-helixtrans-63.5-48.3179-178-179.463.4-103.80112.5D86 R87 I88 Q92D86-R90 WeakPolarHBondContact O-CB 3.41Å; D86-R90 PolarHBondContact O-N 3.28Å; D86-R90 VanDerWaalsContact O-N 3.13Å; R87-R90 PolarHBondContact O-N 2.8Å; I88-R90 VanDerWaalsContact C-N 3.34Å; I88-R90 PolarHBondContact O-N 2.75Å; R90-Q92 VanDerWaalsContact C-N 3.28Å; R90-Q92 PolarHBondContact O-N 3.12Å
91E98.6Very high98.6Very high79 Ų7942.7 Ų42.737%0.36920%0.199SC..Hα-helixtrans-71-23.6-174.9-72.9-178.5-169.900112.8Y35 R87 I88Y35-E91 WeakPolarHBondContact OH-CB 3.27Å; Y35-E91 PolarHBondContact OH-OE2 3.12Å; R87-E91 HydrophobicContact CG-CG 4.26Å; R87-E91 VanDerWaalsContact CG-OE1 3.27Å; R87-E91 WeakPolarHBondContact CG-OE1 3.27Å; R87-E91 IonicContact CZ-OE1 2.8Å; R87-E91 IonicContact NE-OE1 2.79Å; R87-E91 PolarHBondContact NE-OE1 3.32Å; R87-E91 IonicContact NE-OE2 3.42Å; R87-E91 IonicContact NH2-OE1 3.12Å; R87-E91 PolarHBondContact NH2-OE1 3.06Å; R87-E91 IonicContact NH2-OE2 3.5Å; R87-E91 WeakPolarHBondContact O-CB 3.4Å; R87-E91 WeakPolarHBondContact O-CG 3.47Å; R87-E91 PolarHBondContact O-N 3.14Å; I88-E91 PolarHBondContact O-N 3.44Å
92Q98.3Very high98.6Very high38 Ų3843.8 Ų43.818%0.17821%0.205CC..THydrogen-bonded Turntrans-113.716.5-174.7-52.6-53.2-55.800113.8V9 I33 Y35 I88 R90 G94 R95V9-Q92 HydrophobicContact CB-CG 4.48Å; V9-Q92 HydrophobicContact CG1-CB 4.42Å; V9-Q92 HydrophobicContact CG1-CG 3.86Å; V9-Q92 HydrophobicContact CG2-CB 3.85Å; V9-Q92 HydrophobicContact CG2-CG 3.76Å; I33-Q92 VanDerWaalsContact CD1-OE1 3.28Å; Y35-Q92 HydrophobicContact CE2-CG 4Å; Y35-Q92 PolarHBondContact OH-NE2 3.44Å; I88-Q92 HydrophobicContact CG2-CG 4.21Å; I88-Q92 VanDerWaalsContact O-CB 3.32Å; I88-Q92 WeakPolarHBondContact O-CB 3.34Å; I88-Q92 WeakPolarHBondContact O-CG 3.17Å; I88-Q92 PolarHBondContact O-N 3.08Å; R90-Q92 VanDerWaalsContact C-N 3.28Å; R90-Q92 PolarHBondContact O-N 3.12Å; Q92-G94 PolarHBondContact O-N 2.89Å; Q92-R95 HydrophobicContact CB-CB 4.39Å; Q92-R95 WeakPolarHBondContact O-CB 3.35Å; Q92-R95 PolarHBondContact O-N 3.4Å
93N97.2Very high98.5Very high122 Ų12242.3 Ų42.365%0.65220%0.195SC*.THydrogen-bonded Turntrans53.441.5178.9-168.824.2000112.9E89 R95 K158E89-N93 PolarHBondContact O-N 3.43Å; N93-R95 VanDerWaalsContact C-N 3.34Å; N93-R95 PolarHBondContact O-N 3.43Å; N93-K158 PolarHBondContact ND2-NZ 2.76Å; N93-K158 VanDerWaalsContact ND2-NZ 3.15Å; N93-K158 PolarHBondContact O-NZ 3.35Å; N93-K158 PolarHBondContact OD1-NZ 2.99Å
94G97.6Very high98.3Very high15 Ų1538.5 Ų38.516%0.15518%0.179CC..THydrogen-bonded Turntrans85.2-8.6-179.200000115.7E89 Q92 Y155E89-G94 PolarHBondContact O-N 2.83Å; Q92-G94 PolarHBondContact O-N 2.89Å; G94-Y155 WeakPolarHBondContact O-CB 3.19Å
95R98.2Very high97.8Very high49 Ų4940.2 Ų40.219%0.18519%0.191CC..  trans-73.9130-175.7-176.2169.7-172.7170.7-2.4112.4G7 V9 Q92 N93 D97 Y155G7-R95 WeakPolarHBondContact O-CD 3.36Å; G7-R95 PolarHBondContact O-NE 3.19Å; G7-R95 PolarHBondContact O-NH1 2.99Å; V9-R95 HydrophobicContact CB-CG 4.36Å; V9-R95 HydrophobicContact CG2-CB 4.14Å; V9-R95 HydrophobicContact CG2-CG 3.89Å; Q92-R95 HydrophobicContact CB-CB 4.39Å; Q92-R95 WeakPolarHBondContact O-CB 3.35Å; Q92-R95 PolarHBondContact O-N 3.4Å; N93-R95 VanDerWaalsContact C-N 3.34Å; N93-R95 PolarHBondContact O-N 3.43Å; R95-D97 WeakPolarHBondContact CG-OD2 3.27Å; R95-D97 IonicContact CZ-OD1 3.88Å; R95-D97 IonicContact CZ-OD2 2.73Å; R95-D97 IonicContact NE-OD1 2.68Å; R95-D97 PolarHBondContact NE-OD1 3.23Å; R95-D97 IonicContact NE-OD2 3.32Å; R95-D97 PolarHBondContact NE-OD2 3.31Å; R95-D97 IonicContact NH2-OD1 2.77Å; R95-D97 PolarHBondContact NH2-OD1 3.02Å; R95-D97 IonicContact NH2-OD2 3.6Å; R95-Y155 HydrophobicContact CB-CD1 4.46Å; R95-Y155 HydrophobicContact CB-CD2 4.01Å; R95-Y155 HydrophobicContact CB-CE1 4.14Å; R95-Y155 HydrophobicContact CB-CE2 3.66Å; R95-Y155 HydrophobicContact CB-CG 4.41Å; R95-Y155 WeakPolarHBondContact CD-OH 3.44Å; R95-Y155 HydrophobicContact CG-CD1 4.14Å; R95-Y155 HydrophobicContact CG-CE1 3.64Å; R95-Y155 HydrophobicContact CG-CE2 4.09Å
96F98.7Very high97.5Very high3 Ų340 Ų401%0.01319%0.19CC..  trans-148.6126.8169.7-164.5-89.2000109.7V9 L11 F85 I88 L99 A148 L151 M152V9-F96 HydrophobicContact CG1-CD2 4.27Å; L11-F96 HydrophobicContact CB-CE2 3.89Å; L11-F96 HydrophobicContact CB-CZ 3.75Å; L11-F96 HydrophobicContact CD2-CZ 4.46Å; F85-F96 HydrophobicContact CD1-CE2 4.45Å; F85-F96 HydrophobicContact CE1-CE2 4.06Å; F85-F96 AromaticContact CE1-CZ 3.91Å; F85-F96 HydrophobicContact CE1-CZ 3.91Å; I88-F96 HydrophobicContact CD1-CE2 4.12Å; I88-F96 HydrophobicContact CG2-CD2 3.72Å; I88-F96 HydrophobicContact CG2-CE2 4.15Å; F96-L99 HydrophobicContact CE1-CB 3.93Å; F96-L99 HydrophobicContact CZ-CB 4.14Å; F96-A148 HydrophobicContact CD1-CB 4.16Å; F96-A148 HydrophobicContact CE1-CB 3.56Å; F96-A148 HydrophobicContact CZ-CB 4.18Å; F96-L151 HydrophobicContact CB-CB 3.8Å; F96-L151 HydrophobicContact CB-CD1 4.19Å; F96-L151 HydrophobicContact CD2-CD1 4.15Å; F96-L151 HydrophobicContact CG-CB 4.32Å; F96-L151 HydrophobicContact CG-CD1 4.26Å; F96-M152 HydrophobicContact CD1-CE 3.56Å; F96-M152 HydrophobicContact CD1-CG 4.06Å; F96-M152 HydrophobicContact CE1-CE 3.65Å; F96-M152 WeakPolarHBondContact O-CG 3.49Å
97D98.7Very high97Very high10 Ų1038.9 Ų38.95%0.05319%0.186CC..  trans-118.1-45.1-171.3-58.1-105.6000113C8 V9 R95 M152 L173C8-D97 WeakPolarHBondContact CA-OD2 3.34Å; C8-D97 HydrophobicContact CB-CB 4.07Å; V9-D97 PolarHBondContact N-OD2 3.28Å; V9-D97 WeakPolarHBondContact O-CA 3.49Å; V9-D97 WeakPolarHBondContact O-CB 3.42Å; V9-D97 PolarHBondContact O-N 3.35Å; R95-D97 WeakPolarHBondContact CG-OD2 3.27Å; R95-D97 IonicContact CZ-OD1 3.88Å; R95-D97 IonicContact CZ-OD2 2.73Å; R95-D97 IonicContact NE-OD1 2.68Å; R95-D97 PolarHBondContact NE-OD1 3.23Å; R95-D97 IonicContact NE-OD2 3.32Å; R95-D97 PolarHBondContact NE-OD2 3.31Å; R95-D97 IonicContact NH2-OD1 2.77Å; R95-D97 PolarHBondContact NH2-OD1 3.02Å; R95-D97 IonicContact NH2-OD2 3.6Å; D97-M152 WeakPolarHBondContact O-CE 3.48Å; D97-L173 PolarHBondContact O-N 2.91Å
98I98.9Very high96.5Very high6 Ų636.9 Ų36.93%0.03119%0.19CC..EExtended strand (participates in β ladder)trans-133.8125-173-50.3-176.5000112L5 V9 C10 L11 L27 V100 L173 A267L5-I98 HydrophobicContact CD1-CD1 4.07Å; L5-I98 HydrophobicContact CD2-CD1 4.47Å; V9-I98 PolarHBondContact O-N 2.79Å; V9-I98 VanDerWaalsContact O-N 3.13Å; C10-I98 CarbonylContact C-O 3.33Å; C10-I98 WeakPolarHBondContact CA-O 3.5Å; C10-I98 HydrophobicContact CB-CB 4.16Å; L11-I98 PolarHBondContact N-O 3.01Å; L27-I98 HydrophobicContact CD2-CD1 4.42Å; I98-V100 HydrophobicContact CG2-CG2 4.16Å; I98-L173 CarbonylContact C-O 3.6Å; I98-L173 VanDerWaalsContact CA-O 3.27Å; I98-L173 WeakPolarHBondContact CA-O 3.43Å; I98-L173 HydrophobicContact CD1-CD2 4.49Å; I98-L173 HydrophobicContact CG1-CB 4.26Å; I98-L173 HydrophobicContact CG2-CB 4.37Å; I98-L173 HydrophobicContact CG2-CD2 4.28Å; I98-L173 HydrophobicContact CG2-CG 4.3Å; I98-A267 HydrophobicContact CD1-CB 3.96Å
99L98.9Very high96.2Very high0 Ų038.1 Ų38.10%020%0.195CC..EExtended strand (participates in β ladder)trans-106.8130.2165.4171.863.4000109.8L11 T13 F96 C144 A148 L173 I174 V175L11-L99 HydrophobicContact CB-CD1 4.19Å; L11-L99 HydrophobicContact CD2-CD1 3.86Å; L11-L99 HydrophobicContact CG-CD1 3.99Å; T13-L99 HydrophobicContact CG2-CD1 4.37Å; F96-L99 HydrophobicContact CE1-CB 3.93Å; F96-L99 HydrophobicContact CZ-CB 4.14Å; L99-C144 HydrophobicContact CD1-CB 4.32Å; L99-C144 HydrophobicContact CD2-CB 3.83Å; L99-C144 WeakPolarHBondContact CD2-O 3.31Å; L99-A148 HydrophobicContact CB-CB 3.99Å; L99-A148 HydrophobicContact CD2-CB 3.62Å; L99-A148 HydrophobicContact CG-CB 4.4Å; L99-L173 PolarHBondContact N-O 3.41Å; L99-I174 HydrophobicContact CB-CG1 4.28Å; L99-I174 HydrophobicContact CB-CG2 4.39Å; L99-I174 HydrophobicContact CD2-CG2 4.04Å; L99-I174 HydrophobicContact CG-CG2 4.36Å; L99-I174 CarbonylContact O-C 3.6Å; L99-I174 WeakPolarHBondContact O-CA 3.37Å; L99-V175 PolarHBondContact O-N 2.79Å
100V98.9Very high95.8Very high0 Ų034.9 Ų34.90%018%0.18CC..EExtended strand (participates in β ladder)trans-114.9106.4166.6-174.80000109L11 V12 T13 I23 L27 I98 N102 V175 I177 I263L11-V100 PolarHBondContact O-N 3.34Å; V12-V100 HydrophobicContact CB-CB 4.5Å; V12-V100 HydrophobicContact CG1-CB 4.23Å; V12-V100 HydrophobicContact CG1-CG1 4.37Å; V12-V100 HydrophobicContact CG2-CB 4.26Å; V12-V100 HydrophobicContact CG2-CG2 4.36Å; T13-V100 PolarHBondContact N-O 3.13Å; T13-V100 PolarHBondContact OG1-O 2.87Å; I23-V100 HydrophobicContact CD1-CG1 3.85Å; I23-V100 HydrophobicContact CG2-CB 4.47Å; I23-V100 HydrophobicContact CG2-CG1 4.23Å; I23-V100 HydrophobicContact CG2-CG2 4.04Å; L27-V100 HydrophobicContact CD1-CG2 4.48Å; I98-V100 HydrophobicContact CG2-CG2 4.16Å; V100-N102 HydrophobicContact CG1-CB 4.2Å; V100-N102 PolarHBondContact O-N 2.92Å; V100-V175 WeakPolarHBondContact CA-O 3.35Å; V100-V175 HydrophobicContact CG2-CB 4.44Å; V100-I177 HydrophobicContact CG1-CD1 4.12Å; V100-I177 HydrophobicContact CG1-CG1 4.04Å; V100-I263 HydrophobicContact CG1-CD1 4.22Å; V100-I263 HydrophobicContact CG2-CD1 4.1Å
101N98.9Very high95.2Very high0 Ų027.7 Ų27.70%015%0.154CC..EExtended strand (participates in β ladder)trans-8195.1173.1-77.9-34.8000109.4T13 N141 C144 S145 V175 N176 I177T13-N101 WeakPolarHBondContact OG1-CA 3.24Å; N101-N141 HydrophobicContact CB-CB 4.03Å; N101-N141 PolarHBondContact ND2-O 3.45Å; N101-C144 VanDerWaalsContact OD1-CB 3.31Å; N101-C144 WeakPolarHBondContact OD1-CB 3.47Å; N101-S145 PolarHBondContact ND2-OG 3.32Å; N101-V175 PolarHBondContact N-O 3.33Å; N101-N176 VanDerWaalsContact CB-OD1 3.22Å; N101-N176 WeakPolarHBondContact CB-OD1 3.47Å; N101-N176 PolarHBondContact ND2-OD1 2.72Å; N101-I177 PolarHBondContact O-N 2.95Å
102N98.5Very high94.8Very high23 Ų2329.6 Ų29.612%0.12317%0.167CC..  trans-122.7-19.9-177.6165.687.3000113T13 G14 I19 G20 V100 F104 I177T13-N102 CarbonylContact O-C 3.59Å; T13-N102 VanDerWaalsContact O-CB 3.25Å; T13-N102 WeakPolarHBondContact O-CB 3.47Å; T13-N102 PolarHBondContact O-ND2 2.89Å; T13-N102 PolarHBondContact OG1-N 2.87Å; G14-N102 PolarHBondContact O-ND2 3.33Å; I19-N102 WeakPolarHBondContact CG2-OD1 3.43Å; G20-N102 WeakPolarHBondContact CA-ND2 3.43Å; G20-N102 PolarHBondContact N-ND2 3.2Å; G20-N102 PolarHBondContact N-OD1 3Å; V100-N102 HydrophobicContact CG1-CB 4.2Å; V100-N102 PolarHBondContact O-N 2.92Å; N102-F104 PolarHBondContact O-N 2.8Å; N102-I177 HydrophobicContact CB-CB 4.34Å; N102-I177 HydrophobicContact CB-CG1 3.72Å
103A96.9Very high94.4Very high5 Ų528 Ų284%0.04116%0.16CC..  trans-51.7128.2-176.700000112.1T13 H75 V136T13-A103 PolarHBondContact O-N 3.41Å; T13-A103 PolarHBondContact OG1-N 3.49Å; T13-A103 VanDerWaalsContact OG1-N 3.12Å; H75-A103 HydrophobicContact CB-CB 4.37Å; A103-V136 HydrophobicContact CB-CG1 3.72Å
104F94.7Very high93.8Very high56 Ų5623.4 Ų23.425%0.24614%0.136CC..  trans-149.5117.5179.5-165.6-118.2000110.5N102 A106 V107 L110 I133 Y191N102-F104 PolarHBondContact O-N 2.8Å; F104-A106 HydrophobicContact CE1-CB 3.9Å; F104-A106 HydrophobicContact CE2-CB 4.33Å; F104-A106 HydrophobicContact CZ-CB 3.75Å; F104-V107 HydrophobicContact CD1-CG2 3.81Å; F104-V107 HydrophobicContact CE1-CG2 4.38Å; F104-L110 HydrophobicContact CE1-CD1 3.62Å; F104-L110 HydrophobicContact CZ-CD1 3.81Å; F104-I133 HydrophobicContact CE2-CG2 4.28Å; F104-I133 WeakPolarHBondContact CE2-O 3.36Å; F104-I133 HydrophobicContact CZ-CG2 4.24Å; F104-Y191 HydrophobicContact CE1-CD2 4.43Å; F104-Y191 HydrophobicContact CE1-CE2 4.22Å; F104-Y191 AromaticContact CZ-CD2 3.87Å; F104-Y191 HydrophobicContact CZ-CD2 3.87Å; F104-Y191 AromaticContact CZ-CE2 3.96Å; F104-Y191 HydrophobicContact CZ-CE2 3.96Å
105S89.3Confident93.1Very high39 Ų3929.3 Ų29.327%0.27316%0.164SC..SBendtrans-87.8-15-173.641.30000114.4I132 V136S105-I132 PolarHBondContact OG-O 2.93Å; S105-V136 WeakPolarHBondContact OG-CB 3.37Å; S105-V136 WeakPolarHBondContact OG-CG2 3.39Å
106A91.7Very high92.7Very high0 Ų030.9 Ų30.90%017%0.172CC..  trans-98.95.6-162.300000116F104 G108 F109 L110 I132 I133F104-A106 HydrophobicContact CE1-CB 3.9Å; F104-A106 HydrophobicContact CE2-CB 4.33Å; F104-A106 HydrophobicContact CZ-CB 3.75Å; A106-G108 PolarHBondContact O-N 2.91Å; A106-F109 WeakPolarHBondContact O-CB 3.32Å; A106-F109 PolarHBondContact O-N 3.44Å; A106-F109 VanDerWaalsContact O-N 3.09Å; A106-L110 HydrophobicContact CB-CD1 4.38Å; A106-L110 HydrophobicContact CB-CG 4.26Å; A106-L110 VanDerWaalsContact O-CG 3.3Å; A106-L110 WeakPolarHBondContact O-CG 3.4Å; A106-L110 PolarHBondContact O-N 2.85Å; A106-I132 HydrophobicContact CB-CG2 3.86Å; A106-I132 WeakPolarHBondContact CB-O 3.33Å; A106-I133 HydrophobicContact CB-CB 4.22Å; A106-I133 HydrophobicContact CB-CG1 3.6Å
107V88.6Confident92.3Very high53 Ų5332.7 Ų32.732%0.32118%0.184SC..Hα-helixtrans-53.4-53.4-175.2-178.20000111.8F104 F109 L110 L111 T230F104-V107 HydrophobicContact CD1-CG2 3.81Å; F104-V107 HydrophobicContact CE1-CG2 4.38Å; V107-F109 VanDerWaalsContact C-N 3.33Å; V107-F109 PolarHBondContact O-N 2.93Å; V107-L110 PolarHBondContact O-N 3.13Å; V107-L111 HydrophobicContact CG1-CD1 4.02Å; V107-L111 WeakPolarHBondContact O-CG 3.36Å; V107-L111 PolarHBondContact O-N 2.73Å; V107-T230 HydrophobicContact CG1-CG2 3.78Å
108G87.6Confident92Very high36 Ų3639 Ų3937%0.37121%0.208SC..Hα-helixtrans-63.8-36.8178.400000113.3A106 L111 N112A106-G108 PolarHBondContact O-N 2.91Å; G108-L111 PolarHBondContact O-N 2.95Å; G108-N112 WeakPolarHBondContact O-CB 3.44Å; G108-N112 PolarHBondContact O-N 3.16Å; G108-N112 PolarHBondContact O-ND2 3.12Å
109F92Very high91.8Very high26 Ų2646.4 Ų46.411%0.11424%0.237CC..Hα-helixtrans-64.3-40.8175.8176.3-98.4000112.4A106 V107 N113 I121 K124 A129 I132 I133A106-F109 WeakPolarHBondContact O-CB 3.32Å; A106-F109 PolarHBondContact O-N 3.44Å; A106-F109 VanDerWaalsContact O-N 3.09Å; V107-F109 VanDerWaalsContact C-N 3.33Å; V107-F109 PolarHBondContact O-N 2.93Å; F109-N113 PolarHBondContact O-N 2.87Å; F109-N113 PolarHBondContact O-ND2 3.5Å; F109-I121 HydrophobicContact CE1-CD1 4.4Å; F109-I121 HydrophobicContact CE2-CG2 4.03Å; F109-I121 HydrophobicContact CZ-CD1 4.19Å; F109-I121 HydrophobicContact CZ-CG2 3.73Å; F109-K124 HydrophobicContact CE2-CB 4.33Å; F109-K124 HydrophobicContact CE2-CG 3.86Å; F109-A129 HydrophobicContact CE1-CB 4.23Å; F109-A129 HydrophobicContact CZ-CB 3.63Å; F109-I132 HydrophobicContact CB-CG2 3.8Å; F109-I132 HydrophobicContact CD1-CG2 3.97Å; F109-I132 HydrophobicContact CD2-CD1 4.17Å; F109-I132 HydrophobicContact CD2-CG2 4.36Å; F109-I132 HydrophobicContact CE2-CD1 4.25Å; F109-I132 HydrophobicContact CG-CG2 3.79Å; F109-I133 HydrophobicContact CD1-CD1 4.04Å; F109-I133 HydrophobicContact CD1-CG1 4.11Å; F109-I133 HydrophobicContact CE1-CD1 3.81Å; F109-I133 HydrophobicContact CE1-CG1 4.26Å
110L91.4Very high91.6Very high3 Ų350.8 Ų50.82%0.01626%0.257CS..Hα-helixtrans-68.9-42.8178.1-66.8172.3000111.7F104 A106 V107 N113 V114 I133 F187 N188 Y191F104-L110 HydrophobicContact CE1-CD1 3.62Å; F104-L110 HydrophobicContact CZ-CD1 3.81Å; A106-L110 HydrophobicContact CB-CD1 4.38Å; A106-L110 HydrophobicContact CB-CG 4.26Å; A106-L110 VanDerWaalsContact O-CG 3.3Å; A106-L110 WeakPolarHBondContact O-CG 3.4Å; A106-L110 PolarHBondContact O-N 2.85Å; V107-L110 PolarHBondContact O-N 3.13Å; L110-N113 CarbonylContact O-C 3.51Å; L110-N113 PolarHBondContact O-N 2.83Å; L110-V114 WeakPolarHBondContact O-CA 3.34Å; L110-V114 PolarHBondContact O-N 3.46Å; L110-I133 HydrophobicContact CD2-CD1 3.66Å; L110-I133 HydrophobicContact CD2-CG1 4.14Å; L110-F187 HydrophobicContact CB-CB 4.37Å; L110-F187 HydrophobicContact CB-CD1 4.1Å; L110-F187 HydrophobicContact CB-CD2 4.13Å; L110-F187 HydrophobicContact CB-CE1 4.43Å; L110-F187 HydrophobicContact CB-CE2 4.4Å; L110-F187 HydrophobicContact CB-CG 3.97Å; L110-F187 HydrophobicContact CD1-CD2 3.73Å; L110-F187 HydrophobicContact CD1-CE2 4.05Å; L110-F187 HydrophobicContact CD1-CG 4.3Å; L110-F187 HydrophobicContact CD2-CB 3.89Å; L110-F187 HydrophobicContact CD2-CD2 4.45Å; L110-F187 HydrophobicContact CD2-CG 4.29Å; L110-F187 HydrophobicContact CG-CD2 4.32Å; L110-F187 HydrophobicContact CG-CG 4.41Å; L110-N188 WeakPolarHBondContact CD2-ND2 3.42Å; L110-Y191 HydrophobicContact CD1-CD2 3.48Å; L110-Y191 VanDerWaalsContact CD1-CD2 3.48Å; L110-Y191 HydrophobicContact CD1-CE2 3.95Å; L110-Y191 HydrophobicContact CD1-CG 4.23Å; L110-Y191 HydrophobicContact CD2-CD2 4.46Å
111L86.4Confident91.4Very high19 Ų1951.7 Ų51.710%0.09926%0.262CS..Hα-helixtrans-64.7-42178-66.7176.9000111.4V107 G108 N113 V114 F187 T230 E234 L240 L242V107-L111 HydrophobicContact CG1-CD1 4.02Å; V107-L111 WeakPolarHBondContact O-CG 3.36Å; V107-L111 PolarHBondContact O-N 2.73Å; G108-L111 PolarHBondContact O-N 2.95Å; L111-N113 PolarHBondContact O-N 3.03Å; L111-N113 VanDerWaalsContact O-N 3.12Å; L111-V114 WeakPolarHBondContact O-CG1 3.41Å; L111-V114 PolarHBondContact O-N 3.17Å; L111-F187 HydrophobicContact CD2-CE1 4.07Å; L111-F187 HydrophobicContact CD2-CZ 4.35Å; L111-T230 HydrophobicContact CD1-CG2 4.27Å; L111-E234 HydrophobicContact CD1-CB 4.5Å; L111-E234 HydrophobicContact CD1-CG 4Å; L111-L240 HydrophobicContact CD2-CD2 4.08Å; L111-L242 HydrophobicContact CD2-CD2 4.07Å
112N89Confident91.1Very high119 Ų11960.2 Ų60.264%0.63630%0.302SS*.THydrogen-bonded Turntrans-66.3-13.2176.4-70.8-10.7000114.3G108G108-N112 WeakPolarHBondContact O-CB 3.44Å; G108-N112 PolarHBondContact O-N 3.16Å; G108-N112 PolarHBondContact O-ND2 3.12Å
113N90.4Very high90.9Very high4 Ų462.6 Ų62.62%0.02132%0.32CS..THydrogen-bonded Turntrans-128.522.1-179.3-61.4-79.3000112F109 L110 L111 D115 K116 I121F109-N113 PolarHBondContact O-N 2.87Å; F109-N113 PolarHBondContact O-ND2 3.5Å; L110-N113 CarbonylContact O-C 3.51Å; L110-N113 PolarHBondContact O-N 2.83Å; L111-N113 PolarHBondContact O-N 3.03Å; L111-N113 VanDerWaalsContact O-N 3.12Å; N113-D115 VanDerWaalsContact C-N 3.28Å; N113-D115 PolarHBondContact O-N 3.4Å; N113-K116 HydrophobicContact CB-CD 4.45Å; N113-K116 PolarHBondContact O-N 3.5Å; N113-I121 HydrophobicContact CB-CD1 4.36Å; N113-I121 HydrophobicContact CB-CG1 4.28Å
114V84.9Confident90.7Very high26 Ų2666.5 Ų66.516%0.15834%0.336CS..THydrogen-bonded Turntrans-62-34-172.862.20000113.2L110 L111 F187L110-V114 WeakPolarHBondContact O-CA 3.34Å; L110-V114 PolarHBondContact O-N 3.46Å; L111-V114 WeakPolarHBondContact O-CG1 3.41Å; L111-V114 PolarHBondContact O-N 3.17Å; V114-F187 HydrophobicContact CB-CD1 4.28Å; V114-F187 HydrophobicContact CG2-CD1 3.83Å; V114-F187 HydrophobicContact CG2-CE1 4.03Å
115D82.1Confident90.8Very high138 Ų13866.4 Ų66.474%0.73834%0.343SS*.THydrogen-bonded Turntrans-98.96.8-177.6-61.6-44.4000113.2N113N113-D115 VanDerWaalsContact C-N 3.28Å; N113-D115 PolarHBondContact O-N 3.4Å
116K89.2Confident91.2Very high83 Ų8370.3 Ų70.336%0.36137%0.367SS..SBendtrans-100.8132.3-177.3-63.1-173.4-173.3175.30111.4N113N113-K116 HydrophobicContact CB-CD 4.45Å; N113-K116 PolarHBondContact O-N 3.5Å
117P90.9Very high91.4Very high41 Ų4172.2 Ų72.227%0.26639%0.387SS..  trans-53.4146.6162.6-21.932.1000110.8Y119 E120P117-Y119 HydrophobicContact CB-CD1 3.98Å; P117-Y119 HydrophobicContact CB-CE1 3.55Å; P117-Y119 HydrophobicContact CB-CE2 4.13Å; P117-Y119 HydrophobicContact CB-CG 4.44Å; P117-Y119 PolarHBondContact O-N 3.16Å; P117-E120 HydrophobicContact CB-CG 4.25Å; P117-E120 WeakPolarHBondContact CD-OE2 3.32Å; P117-E120 HydrophobicContact CG-CG 4.26Å; P117-E120 PolarHBondContact O-N 2.74Å
118Y92.4Very high91.8Very high143 Ų14374 Ų7456%0.56139%0.392SS*.G310 helixtrans-58.9-24.6-174.972.5-90.9000113.9A189Y118-A189 HydrophobicContact CD1-CB 4.07Å; Y118-A189 HydrophobicContact CG-CB 4.03Å
119Y94.8Very high92.2Very high161 Ų16172.6 Ų72.663%0.63138%0.376SS*.G310 helixtrans-87.3-4.5178.458-95.9000113.9P117P117-Y119 HydrophobicContact CB-CD1 3.98Å; P117-Y119 HydrophobicContact CB-CE1 3.55Å; P117-Y119 HydrophobicContact CB-CE2 4.13Å; P117-Y119 HydrophobicContact CB-CG 4.44Å; P117-Y119 PolarHBondContact O-N 3.16Å
120E95.4Very high92.4Very high92 Ų9276.9 Ų76.943%0.4339%0.392SS..G310 helixtrans-10712.1177.7-60.7-174.8176.100112.5P117 E122P117-E120 HydrophobicContact CB-CG 4.25Å; P117-E120 WeakPolarHBondContact CD-OE2 3.32Å; P117-E120 HydrophobicContact CG-CG 4.26Å; P117-E120 PolarHBondContact O-N 2.74Å; E120-E122 PolarHBondContact O-N 3.02Å
121I93.6Very high92.7Very high18 Ų1880.9 Ų80.99%0.09241%0.414CS..  trans-76.392.3171.4-58.7178.3000108.3F109 N113 K124F109-I121 HydrophobicContact CE1-CD1 4.4Å; F109-I121 HydrophobicContact CE2-CG2 4.03Å; F109-I121 HydrophobicContact CZ-CD1 4.19Å; F109-I121 HydrophobicContact CZ-CG2 3.73Å; N113-I121 HydrophobicContact CB-CD1 4.36Å; N113-I121 HydrophobicContact CB-CG1 4.28Å; I121-K124 VanDerWaalsContact O-O 3.12Å
122E93.3Very high93.1Very high179 Ų17982.3 Ų82.384%0.83642%0.421SS*.  trans-87.5-18.3-178.1-63.1-179.8163.800113.6E120 K124E120-E122 PolarHBondContact O-N 3.02Å; E122-K124 PolarHBondContact O-N 3.34Å; E122-K124 VanDerWaalsContact O-N 3.12Å
123S93.4Very high93.4Very high73 Ų7376.7 Ų76.751%0.5139%0.391SS..SBendtrans-66.3-13.9-176.965.40000114.5
124K94.4Very high93.8Very high87 Ų8776.9 Ų76.938%0.37839%0.392SS..SBendtrans-149.4152.1-176.9-67.3-62.4172.9-171.60109.5F109 I121 E122 E128 A129 I132F109-K124 HydrophobicContact CE2-CB 4.33Å; F109-K124 HydrophobicContact CE2-CG 3.86Å; I121-K124 VanDerWaalsContact O-O 3.12Å; E122-K124 PolarHBondContact O-N 3.34Å; E122-K124 VanDerWaalsContact O-N 3.12Å; K124-E128 HydrophobicContact CB-CB 4.09Å; K124-E128 HydrophobicContact CD-CB 4.28Å; K124-A129 HydrophobicContact CB-CB 4.39Å; K124-I132 HydrophobicContact CD-CD1 4.04Å; K124-I132 HydrophobicContact CG-CD1 3.82Å
125S96.1Very high94.4Very high55 Ų5577.6 Ų77.639%0.38540%0.395SS..  trans-63.7158.7167.4670000110.9G127 E128 A129S125-G127 VanDerWaalsContact C-N 3.25Å; S125-G127 PolarHBondContact O-N 3.19Å; S125-E128 VanDerWaalsContact CB-OE2 3.32Å; S125-E128 WeakPolarHBondContact CB-OE2 3.23Å; S125-E128 PolarHBondContact N-OE2 3.07Å; S125-E128 PolarHBondContact O-N 3.18Å; S125-E128 WeakPolarHBondContact OG-CB 3.41Å; S125-E128 VanDerWaalsContact OG-CG 3.23Å; S125-E128 WeakPolarHBondContact OG-CG 3.29Å; S125-E128 PolarHBondContact OG-N 2.64Å; S125-E128 PolarHBondContact OG-OE2 3.27Å; S125-A129 WeakPolarHBondContact O-CB 3.43Å; S125-A129 PolarHBondContact O-N 3.33Å
126P96.6Very high95.1Very high120 Ų12071.7 Ų71.778%0.77936%0.363SS*.Hα-helixtrans-55.5-38178-28.535.9000114W130P126-W130 PolarHBondContact O-N 3.06Å; P126-W130 VanDerWaalsContact O-N 3.14Å
127G97.1Very high95.4Very high41 Ų4167.9 Ų67.942%0.42335%0.348SS..Hα-helixtrans-67.3-47176.900000112.5S125 A129 W130 D131S125-G127 VanDerWaalsContact C-N 3.25Å; S125-G127 PolarHBondContact O-N 3.19Å; G127-A129 VanDerWaalsContact C-N 3.33Å; G127-A129 PolarHBondContact O-N 3.12Å; G127-W130 WeakPolarHBondContact O-CB 3.4Å; G127-W130 PolarHBondContact O-N 2.81Å; G127-D131 PolarHBondContact O-N 2.93Å
128E96.5Very high95.8Very high90 Ų9067.4 Ų67.442%0.42134%0.343SS..Hα-helixtrans-62.5-40.4176.9-70.9169.2116.100112.1K124 S125 W130 D131 I132K124-E128 HydrophobicContact CB-CB 4.09Å; K124-E128 HydrophobicContact CD-CB 4.28Å; S125-E128 VanDerWaalsContact CB-OE2 3.32Å; S125-E128 WeakPolarHBondContact CB-OE2 3.23Å; S125-E128 PolarHBondContact N-OE2 3.07Å; S125-E128 PolarHBondContact O-N 3.18Å; S125-E128 WeakPolarHBondContact OG-CB 3.41Å; S125-E128 VanDerWaalsContact OG-CG 3.23Å; S125-E128 WeakPolarHBondContact OG-CG 3.29Å; S125-E128 PolarHBondContact OG-N 2.64Å; S125-E128 PolarHBondContact OG-OE2 3.27Å; E128-W130 VanDerWaalsContact C-N 3.3Å; E128-W130 PolarHBondContact O-N 2.86Å; E128-D131 PolarHBondContact O-N 3.37Å; E128-I132 WeakPolarHBondContact O-CB 3.02Å; E128-I132 WeakPolarHBondContact O-CD1 3.34Å; E128-I132 WeakPolarHBondContact O-CG1 3.25Å; E128-I132 PolarHBondContact O-N 3.18Å
129A95.4Very high96.1Very high6 Ų665.9 Ų65.95%0.0534%0.336CS..Hα-helixtrans-60-4217600000111.7F109 K124 S125 G127F109-A129 HydrophobicContact CE1-CB 4.23Å; F109-A129 HydrophobicContact CZ-CB 3.63Å; K124-A129 HydrophobicContact CB-CB 4.39Å; S125-A129 WeakPolarHBondContact O-CB 3.43Å; S125-A129 PolarHBondContact O-N 3.33Å; G127-A129 VanDerWaalsContact C-N 3.33Å; G127-A129 PolarHBondContact O-N 3.12Å
130W97.1Very high96.2Very high116 Ų11658.3 Ų58.344%0.43931%0.307SS..Hα-helixtrans-62.5-49.5174.2178.2-87.2000111.7P126 G127 E128 I132 I133 N134 P190 A193P126-W130 PolarHBondContact O-N 3.06Å; P126-W130 VanDerWaalsContact O-N 3.14Å; G127-W130 WeakPolarHBondContact O-CB 3.4Å; G127-W130 PolarHBondContact O-N 2.81Å; E128-W130 VanDerWaalsContact C-N 3.3Å; E128-W130 PolarHBondContact O-N 2.86Å; W130-I132 PolarHBondContact O-N 2.94Å; W130-I133 PolarHBondContact O-N 3.41Å; W130-I133 VanDerWaalsContact O-N 3.15Å; W130-N134 HydrophobicContact CZ2-CB 4.48Å; W130-N134 WeakPolarHBondContact CZ2-ND2 3.37Å; W130-N134 PolarHBondContact O-N 3.29Å; W130-P190 HydrophobicContact CE3-CB 3.82Å; W130-P190 HydrophobicContact CE3-CG 4.2Å; W130-P190 HydrophobicContact CZ3-CB 4.26Å; W130-A193 HydrophobicContact CH2-CB 4.1Å; W130-A193 HydrophobicContact CZ3-CB 4.18Å
131D96.9Very high96.4Very high88 Ų8854 Ų5447%0.47129%0.287SS..Hα-helixtrans-66.9-38-175.7-71.3-19.9000112.4G127 E128 I133 N134 N135G127-D131 PolarHBondContact O-N 2.93Å; E128-D131 PolarHBondContact O-N 3.37Å; D131-I133 PolarHBondContact O-N 3.3Å; D131-I133 VanDerWaalsContact O-N 3.17Å; D131-N134 PolarHBondContact O-N 3.24Å; D131-N135 HydrophobicContact CB-CB 4.43Å; D131-N135 WeakPolarHBondContact O-CB 3.23Å; D131-N135 PolarHBondContact O-N 3.46Å
132I96.1Very high96.6Very high48 Ų4859.2 Ų59.225%0.24631%0.306CS..Hα-helixtrans-53.8-38174-75164.2000111.1S105 A106 F109 K124 E128 W130S105-I132 PolarHBondContact OG-O 2.93Å; A106-I132 HydrophobicContact CB-CG2 3.86Å; A106-I132 WeakPolarHBondContact CB-O 3.33Å; F109-I132 HydrophobicContact CB-CG2 3.8Å; F109-I132 HydrophobicContact CD1-CG2 3.97Å; F109-I132 HydrophobicContact CD2-CD1 4.17Å; F109-I132 HydrophobicContact CD2-CG2 4.36Å; F109-I132 HydrophobicContact CE2-CD1 4.25Å; F109-I132 HydrophobicContact CG-CG2 3.79Å; K124-I132 HydrophobicContact CD-CD1 4.04Å; K124-I132 HydrophobicContact CG-CD1 3.82Å; E128-I132 WeakPolarHBondContact O-CB 3.02Å; E128-I132 WeakPolarHBondContact O-CD1 3.34Å; E128-I132 WeakPolarHBondContact O-CG1 3.25Å; E128-I132 PolarHBondContact O-N 3.18Å; W130-I132 PolarHBondContact O-N 2.94Å
133I95.7Very high96.9Very high2 Ų251.8 Ų51.81%0.0127%0.272CS..Hα-helixtrans-85.5-51-178-66.3167.3000111.6F104 A106 F109 L110 W130 D131 G137 P190F104-I133 HydrophobicContact CE2-CG2 4.28Å; F104-I133 WeakPolarHBondContact CE2-O 3.36Å; F104-I133 HydrophobicContact CZ-CG2 4.24Å; A106-I133 HydrophobicContact CB-CB 4.22Å; A106-I133 HydrophobicContact CB-CG1 3.6Å; F109-I133 HydrophobicContact CD1-CD1 4.04Å; F109-I133 HydrophobicContact CD1-CG1 4.11Å; F109-I133 HydrophobicContact CE1-CD1 3.81Å; F109-I133 HydrophobicContact CE1-CG1 4.26Å; L110-I133 HydrophobicContact CD2-CD1 3.66Å; L110-I133 HydrophobicContact CD2-CG1 4.14Å; W130-I133 PolarHBondContact O-N 3.41Å; W130-I133 VanDerWaalsContact O-N 3.15Å; D131-I133 PolarHBondContact O-N 3.3Å; D131-I133 VanDerWaalsContact O-N 3.17Å; I133-G137 PolarHBondContact O-N 3.46Å; I133-P190 HydrophobicContact CD1-CB 3.73Å; I133-P190 HydrophobicContact CD1-CG 4.39Å
134N98.2Very high97.1Very high7 Ų748.3 Ų48.34%0.03725%0.247CC..Hα-helixtrans-100.2-16.9-164.1-71.8-44.3000114.4W130 D131 L138 R139 P190 G194W130-N134 HydrophobicContact CZ2-CB 4.48Å; W130-N134 WeakPolarHBondContact CZ2-ND2 3.37Å; W130-N134 PolarHBondContact O-N 3.29Å; D131-N134 PolarHBondContact O-N 3.24Å; N134-L138 HydrophobicContact CB-CB 4.33Å; N134-L138 HydrophobicContact CB-CD2 4.48Å; N134-L138 WeakPolarHBondContact O-CB 3.49Å; N134-L138 PolarHBondContact O-N 3.47Å; N134-R139 PolarHBondContact O-N 3.06Å; N134-P190 PolarHBondContact ND2-O 3.19Å; N134-G194 WeakPolarHBondContact OD1-CA 3.17Å
135N97.3Very high97.4Very high42 Ų4244.2 Ų44.223%0.22523%0.23CC..Iπ-helixtrans-66.2-44.4179.1-16327.9000111.1D131 R139 N140D131-N135 HydrophobicContact CB-CB 4.43Å; D131-N135 WeakPolarHBondContact O-CB 3.23Å; D131-N135 PolarHBondContact O-N 3.46Å; N135-R139 WeakPolarHBondContact O-CB 3.44Å; N135-R139 WeakPolarHBondContact OD1-CD 3.28Å; N135-N140 PolarHBondContact O-N 2.84Å
136V97.2Very high97.5Very high13 Ų1343.7 Ų43.78%0.07922%0.224CC..Iπ-helixtrans-90.4-42.3176.7-178.90000112.1H75 A76 A103 S105 L138 N140H75-V136 HydrophobicContact CB-CG1 3.86Å; A76-V136 HydrophobicContact CB-CG2 4.21Å; A103-V136 HydrophobicContact CB-CG1 3.72Å; S105-V136 WeakPolarHBondContact OG-CB 3.37Å; S105-V136 WeakPolarHBondContact OG-CG2 3.39Å; V136-L138 VanDerWaalsContact C-N 3.31Å; V136-L138 PolarHBondContact O-N 2.89Å; V136-N140 WeakPolarHBondContact O-CB 3.48Å
137G95.4Very high97.6Very high4 Ų440.5 Ų40.54%0.04120%0.198CC..Iπ-helixtrans-76.2-11.9-173.200000116.1I133 N141I133-G137 PolarHBondContact O-N 3.46Å; G137-N141 PolarHBondContact O-ND2 2.91Å
138L98.4Very high97.7Very high31 Ų3138.5 Ų38.516%0.16218%0.178CC..Iπ-helixtrans-136.9-60.3-176.3175.365.2000111.7N134 V136 N141 Y142 A197 L198N134-L138 HydrophobicContact CB-CB 4.33Å; N134-L138 HydrophobicContact CB-CD2 4.48Å; N134-L138 WeakPolarHBondContact O-CB 3.49Å; N134-L138 PolarHBondContact O-N 3.47Å; V136-L138 VanDerWaalsContact C-N 3.31Å; V136-L138 PolarHBondContact O-N 2.89Å; L138-N141 WeakPolarHBondContact O-CB 3.42Å; L138-N141 PolarHBondContact O-N 3.24Å; L138-N141 VanDerWaalsContact O-N 3.12Å; L138-Y142 PolarHBondContact O-N 2.77Å; L138-A197 HydrophobicContact CD1-CB 3.89Å; L138-A197 HydrophobicContact CD2-CB 3.73Å; L138-A197 HydrophobicContact CG-CB 4.49Å; L138-L198 HydrophobicContact CD1-CB 4.09Å
139R98.3Very high97.8Very high111 Ų11135.6 Ų35.642%0.41917%0.166SC..Iπ-helixtrans-62.4-47.8-175.3-178.6-179-179.4-76.2-6.5111.7D78 N134 N135 N141 Y142 I143D78-R139 VanDerWaalsContact CG-NH1 3.27Å; D78-R139 IonicContact OD1-CZ 3.81Å; D78-R139 IonicContact OD1-NH1 3.06Å; D78-R139 PolarHBondContact OD1-NH1 3.47Å; D78-R139 IonicContact OD1-NH2 2.68Å; D78-R139 IonicContact OD2-CZ 3.9Å; D78-R139 VanDerWaalsContact OD2-CZ 3.32Å; D78-R139 IonicContact OD2-NH1 3.28Å; D78-R139 PolarHBondContact OD2-NH1 2.99Å; D78-R139 IonicContact OD2-NH2 2.76Å; D78-R139 PolarHBondContact OD2-NH2 2.7Å; N134-R139 PolarHBondContact O-N 3.06Å; N135-R139 WeakPolarHBondContact O-CB 3.44Å; N135-R139 WeakPolarHBondContact OD1-CD 3.28Å; R139-N141 VanDerWaalsContact C-N 3.28Å; R139-N141 PolarHBondContact O-N 3.14Å; R139-Y142 WeakPolarHBondContact O-CB 3.34Å; R139-Y142 PolarHBondContact O-N 3.02Å; R139-I143 HydrophobicContact CG-CD1 4.29Å; R139-I143 WeakPolarHBondContact O-CG1 3.2Å; R139-I143 PolarHBondContact O-N 3.26Å
140N98.2Very high97.9Very high1 Ų141 Ų411%0.00519%0.189CC..Hα-helixtrans-57.4-39.1172.8162.368.7000113.5H75 I81 N135 V136 Y142 I143 C144H75-N140 HydrophobicContact CB-CB 4.22Å; H75-N140 VanDerWaalsContact ND1-CG 3.33Å; H75-N140 PolarHBondContact ND1-ND2 2.94Å; H75-N140 PolarHBondContact ND1-OD1 3.18Å; H75-N140 WeakPolarHBondContact O-CB 3.46Å; I81-N140 HydrophobicContact CD1-CB 4.32Å; I81-N140 WeakPolarHBondContact CD1-OD1 3.41Å; N135-N140 PolarHBondContact O-N 2.84Å; V136-N140 WeakPolarHBondContact O-CB 3.48Å; N140-Y142 VanDerWaalsContact C-N 3.25Å; N140-Y142 PolarHBondContact O-N 3.35Å; N140-I143 PolarHBondContact O-N 3.15Å; N140-I143 VanDerWaalsContact O-N 3.11Å; N140-C144 WeakPolarHBondContact O-CB 3.37Å; N140-C144 PolarHBondContact O-N 2.88Å; N140-C144 PolarHBondContact OD1-SG 3.42Å
141N98.6Very high98Very high2 Ų236 Ų361%0.01117%0.171CC..Hα-helixtrans-63.5-35.3-179.5-66.3-5.9000111.3N101 G137 L138 R139 S145 L198 M201N101-N141 HydrophobicContact CB-CB 4.03Å; N101-N141 PolarHBondContact ND2-O 3.45Å; G137-N141 PolarHBondContact O-ND2 2.91Å; L138-N141 WeakPolarHBondContact O-CB 3.42Å; L138-N141 PolarHBondContact O-N 3.24Å; L138-N141 VanDerWaalsContact O-N 3.12Å; R139-N141 VanDerWaalsContact C-N 3.28Å; R139-N141 PolarHBondContact O-N 3.14Å; N141-S145 VanDerWaalsContact O-CB 3.29Å; N141-S145 WeakPolarHBondContact O-CB 3.33Å; N141-S145 PolarHBondContact O-N 2.66Å; N141-S145 VanDerWaalsContact O-N 3.07Å; N141-S145 PolarHBondContact O-OG 3.07Å; N141-L198 HydrophobicContact CB-CD1 4Å; N141-M201 HydrophobicContact CB-CE 4.14Å
142Y98.8Very high98.1Very high128 Ų12831.9 Ų31.950%0.50215%0.149SC..Hα-helixtrans-59.8-53.5170.1176.6-102.1000111.1L138 R139 N140 C144 S145 V146 M201 M205L138-Y142 PolarHBondContact O-N 2.77Å; R139-Y142 WeakPolarHBondContact O-CB 3.34Å; R139-Y142 PolarHBondContact O-N 3.02Å; N140-Y142 VanDerWaalsContact C-N 3.25Å; N140-Y142 PolarHBondContact O-N 3.35Å; Y142-C144 PolarHBondContact O-N 3.42Å; Y142-S145 WeakPolarHBondContact O-CB 3.49Å; Y142-S145 PolarHBondContact O-N 3.38Å; Y142-S145 VanDerWaalsContact O-N 3.12Å; Y142-V146 HydrophobicContact CD1-CG2 4.39Å; Y142-V146 HydrophobicContact CE1-CG2 3.94Å; Y142-V146 HydrophobicContact CE2-CG2 4.15Å; Y142-V146 WeakPolarHBondContact O-CG2 3.32Å; Y142-V146 PolarHBondContact O-N 2.95Å; Y142-M201 VanDerWaalsContact CB-SD 3.55Å; Y142-M201 HydrophobicContact CD2-CG 4.43Å; Y142-M201 HydrophobicContact CD2-SD 3.74Å; Y142-M201 HydrophobicContact CG-SD 4.13Å; Y142-M205 HydrophobicContact CD2-CE 3.24Å; Y142-M205 HydrophobicContact CE2-CE 3.65Å; Y142-M205 HydrophobicContact CG-CE 4.25Å
143I98.8Very high98.2Very high22 Ų2232.3 Ų32.311%0.11315%0.151CC..Hα-helixtrans-60.8-49.5-175.6-63.9172.9000111.1D78 I81 R139 N140 S145 V146 F147D78-I143 WeakPolarHBondContact OD1-CD1 3.35Å; I81-I143 HydrophobicContact CB-CG2 4.44Å; I81-I143 HydrophobicContact CD1-CG2 4.37Å; I81-I143 HydrophobicContact CG2-CG2 3.82Å; R139-I143 HydrophobicContact CG-CD1 4.29Å; R139-I143 WeakPolarHBondContact O-CG1 3.2Å; R139-I143 PolarHBondContact O-N 3.26Å; N140-I143 PolarHBondContact O-N 3.15Å; N140-I143 VanDerWaalsContact O-N 3.11Å; I143-S145 VanDerWaalsContact C-N 3.28Å; I143-S145 PolarHBondContact O-N 3.34Å; I143-V146 PolarHBondContact O-N 2.94Å; I143-F147 HydrophobicContact CG2-CD2 3.79Å; I143-F147 HydrophobicContact CG2-CE2 3.47Å; I143-F147 VanDerWaalsContact CG2-CE2 3.47Å; I143-F147 VanDerWaalsContact O-CD2 3.27Å; I143-F147 WeakPolarHBondContact O-CD2 3.38Å; I143-F147 PolarHBondContact O-N 3.45Å; I143-F147 VanDerWaalsContact O-N 3.14Å
144C98.9Very high98.3Very high0 Ų036.4 Ų36.40%017%0.172CC..Hα-helixtrans-58.5-40.4175.7-73.60000111.7F85 L99 N101 N140 Y142 V146 F147 A148F85-C144 HydrophobicContact CE2-CB 4.09Å; F85-C144 HydrophobicContact CZ-CB 4.01Å; F85-C144 WeakPolarHBondContact CZ-O 3.31Å; L99-C144 HydrophobicContact CD1-CB 4.32Å; L99-C144 HydrophobicContact CD2-CB 3.83Å; L99-C144 WeakPolarHBondContact CD2-O 3.31Å; N101-C144 VanDerWaalsContact OD1-CB 3.31Å; N101-C144 WeakPolarHBondContact OD1-CB 3.47Å; N140-C144 WeakPolarHBondContact O-CB 3.37Å; N140-C144 PolarHBondContact O-N 2.88Å; N140-C144 PolarHBondContact OD1-SG 3.42Å; Y142-C144 PolarHBondContact O-N 3.42Å; C144-V146 VanDerWaalsContact C-N 3.35Å; C144-V146 PolarHBondContact O-N 3.45Å; C144-F147 PolarHBondContact O-N 2.88Å; C144-A148 VanDerWaalsContact O-CB 3.23Å; C144-A148 WeakPolarHBondContact O-CB 3.2Å; C144-A148 PolarHBondContact O-N 3.12Å
145S98.9Very high98.3Very high1 Ų137.9 Ų37.91%0.00718%0.178CC..Hα-helixtrans-64.5-38.2178.1-58.70000112.2N101 N141 Y142 I143 T149N101-S145 PolarHBondContact ND2-OG 3.32Å; N141-S145 VanDerWaalsContact O-CB 3.29Å; N141-S145 WeakPolarHBondContact O-CB 3.33Å; N141-S145 PolarHBondContact O-N 2.66Å; N141-S145 VanDerWaalsContact O-N 3.07Å; N141-S145 PolarHBondContact O-OG 3.07Å; Y142-S145 WeakPolarHBondContact O-CB 3.49Å; Y142-S145 PolarHBondContact O-N 3.38Å; Y142-S145 VanDerWaalsContact O-N 3.12Å; I143-S145 VanDerWaalsContact C-N 3.28Å; I143-S145 PolarHBondContact O-N 3.34Å; S145-T149 VanDerWaalsContact O-CB 3.22Å; S145-T149 WeakPolarHBondContact O-CB 3.38Å; S145-T149 PolarHBondContact O-N 2.93Å; S145-T149 PolarHBondContact O-OG1 3.4Å
146V98.9Very high98.4Very high45 Ų4536.5 Ų36.527%0.27317%0.17SC..Hα-helixtrans-63-49.7176.1171.40000111Y142 I143 C144 T149 K150Y142-V146 HydrophobicContact CD1-CG2 4.39Å; Y142-V146 HydrophobicContact CE1-CG2 3.94Å; Y142-V146 HydrophobicContact CE2-CG2 4.15Å; Y142-V146 WeakPolarHBondContact O-CG2 3.32Å; Y142-V146 PolarHBondContact O-N 2.95Å; I143-V146 PolarHBondContact O-N 2.94Å; C144-V146 VanDerWaalsContact C-N 3.35Å; C144-V146 PolarHBondContact O-N 3.45Å; V146-T149 PolarHBondContact O-N 3.34Å; V146-K150 HydrophobicContact CG1-CD 4.45Å; V146-K150 WeakPolarHBondContact O-CG 3.49Å; V146-K150 PolarHBondContact O-N 3.22Å; V146-K150 VanDerWaalsContact O-N 3.14Å
147F98.9Very high98.4Very high52 Ų5239.4 Ų39.423%0.22818%0.183CC..Hα-helixtrans-65.2-45.6179.5-71.6-63.9000112.2I81 F85 I143 C144 T149 K150 L151I81-F147 HydrophobicContact CG2-CD2 4.11Å; I81-F147 HydrophobicContact CG2-CE2 4.21Å; F85-F147 HydrophobicContact CB-CB 3.99Å; F85-F147 HydrophobicContact CB-CG 4.29Å; F85-F147 HydrophobicContact CD1-CB 3.66Å; F85-F147 HydrophobicContact CD2-CB 3.44Å; F85-F147 VanDerWaalsContact CD2-CB 3.44Å; F85-F147 AromaticContact CD2-CD2 3.8Å; F85-F147 HydrophobicContact CD2-CD2 3.8Å; F85-F147 AromaticContact CD2-CG 3.82Å; F85-F147 HydrophobicContact CD2-CG 3.82Å; F85-F147 HydrophobicContact CE1-CB 3.93Å; F85-F147 HydrophobicContact CE2-CB 3.75Å; F85-F147 HydrophobicContact CE2-CD2 4.16Å; F85-F147 HydrophobicContact CE2-CG 4.35Å; F85-F147 HydrophobicContact CG-CB 3.41Å; F85-F147 VanDerWaalsContact CG-CB 3.41Å; F85-F147 HydrophobicContact CG-CD2 4.47Å; F85-F147 HydrophobicContact CG-CG 4.04Å; F85-F147 HydrophobicContact CZ-CB 3.97Å; I143-F147 HydrophobicContact CG2-CD2 3.79Å; I143-F147 HydrophobicContact CG2-CE2 3.47Å; I143-F147 VanDerWaalsContact CG2-CE2 3.47Å; I143-F147 VanDerWaalsContact O-CD2 3.27Å; I143-F147 WeakPolarHBondContact O-CD2 3.38Å; I143-F147 PolarHBondContact O-N 3.45Å; I143-F147 VanDerWaalsContact O-N 3.14Å; C144-F147 PolarHBondContact O-N 2.88Å; F147-T149 VanDerWaalsContact C-N 3.35Å; F147-T149 PolarHBondContact O-N 3.23Å; F147-K150 PolarHBondContact O-N 2.83Å; F147-L151 PolarHBondContact O-N 3.11Å
148A98.9Very high98.5Very high0 Ų041.9 Ų41.90%019%0.192CC..Hα-helixtrans-58.9-45.1176.600000112.1F85 F96 L99 C144 K150 L151 M152 I174F85-A148 HydrophobicContact CE1-CB 3.97Å; F85-A148 HydrophobicContact CZ-CB 4.4Å; F96-A148 HydrophobicContact CD1-CB 4.16Å; F96-A148 HydrophobicContact CE1-CB 3.56Å; F96-A148 HydrophobicContact CZ-CB 4.18Å; L99-A148 HydrophobicContact CB-CB 3.99Å; L99-A148 HydrophobicContact CD2-CB 3.62Å; L99-A148 HydrophobicContact CG-CB 4.4Å; C144-A148 VanDerWaalsContact O-CB 3.23Å; C144-A148 WeakPolarHBondContact O-CB 3.2Å; C144-A148 PolarHBondContact O-N 3.12Å; A148-K150 VanDerWaalsContact C-N 3.33Å; A148-K150 PolarHBondContact O-N 3.16Å; A148-L151 PolarHBondContact O-N 3.39Å; A148-M152 HydrophobicContact CB-CE 4.31Å; A148-M152 WeakPolarHBondContact O-CB 3.25Å; A148-M152 VanDerWaalsContact O-CG 3.24Å; A148-M152 WeakPolarHBondContact O-CG 3.47Å; A148-M152 PolarHBondContact O-N 3.44Å; A148-I174 HydrophobicContact CB-CD1 4.35Å
149T98.9Very high98.4Very high29 Ų2942.2 Ų42.218%0.17819%0.194CC..Hα-helixtrans-59.3-44.4178.2-62.10000111.3S145 V146 F147 M152 I153 I174 L209 I216S145-T149 VanDerWaalsContact O-CB 3.22Å; S145-T149 WeakPolarHBondContact O-CB 3.38Å; S145-T149 PolarHBondContact O-N 2.93Å; S145-T149 PolarHBondContact O-OG1 3.4Å; V146-T149 PolarHBondContact O-N 3.34Å; F147-T149 VanDerWaalsContact C-N 3.35Å; F147-T149 PolarHBondContact O-N 3.23Å; T149-M152 PolarHBondContact O-N 2.96Å; T149-I153 HydrophobicContact CG2-CD1 3.82Å; T149-I153 VanDerWaalsContact O-CG1 3.29Å; T149-I153 WeakPolarHBondContact O-CG1 3.25Å; T149-I153 PolarHBondContact O-N 3.28Å; T149-I174 WeakPolarHBondContact OG1-CD1 3.22Å; T149-L209 HydrophobicContact CG2-CD2 4.05Å; T149-I216 HydrophobicContact CG2-CD1 3.94Å
150K98.7Very high98.4Very high120 Ų12040.3 Ų40.352%0.52219%0.189SC..Hα-helixtrans-61.4-47.1177-73.3176.1176.8-179.50112.1V146 F147 A148 M152 I153 N154V146-K150 HydrophobicContact CG1-CD 4.45Å; V146-K150 WeakPolarHBondContact O-CG 3.49Å; V146-K150 PolarHBondContact O-N 3.22Å; V146-K150 VanDerWaalsContact O-N 3.14Å; F147-K150 PolarHBondContact O-N 2.83Å; A148-K150 VanDerWaalsContact C-N 3.33Å; A148-K150 PolarHBondContact O-N 3.16Å; K150-M152 PolarHBondContact O-N 2.98Å; K150-I153 PolarHBondContact O-N 2.78Å; K150-N154 WeakPolarHBondContact O-CB 3.17Å; K150-N154 PolarHBondContact O-N 2.99Å; K150-N154 PolarHBondContact O-ND2 3.23Å
151L98.8Very high98.3Very high11 Ų1149.5 Ų49.56%0.05822%0.223CC..Hα-helixtrans-62.7-43.2178-67.6-171.4000112.1F85 E89 F96 F147 A148 I153 N154 Y155F85-L151 HydrophobicContact CB-CD1 4.47Å; F85-L151 HydrophobicContact CD1-CD1 3.88Å; E89-L151 HydrophobicContact CB-CD1 4.25Å; E89-L151 HydrophobicContact CB-CD2 3.81Å; E89-L151 VanDerWaalsContact CD-CD2 3.41Å; E89-L151 HydrophobicContact CG-CD2 3.71Å; F96-L151 HydrophobicContact CB-CB 3.8Å; F96-L151 HydrophobicContact CB-CD1 4.19Å; F96-L151 HydrophobicContact CD2-CD1 4.15Å; F96-L151 HydrophobicContact CG-CB 4.32Å; F96-L151 HydrophobicContact CG-CD1 4.26Å; F147-L151 PolarHBondContact O-N 3.11Å; A148-L151 PolarHBondContact O-N 3.39Å; L151-I153 PolarHBondContact O-N 3.43Å; L151-N154 PolarHBondContact O-N 3.32Å; L151-Y155 WeakPolarHBondContact O-CB 3.4Å; L151-Y155 PolarHBondContact O-N 3.24Å
152M98.7Very high98.2Very high1 Ų154.8 Ų54.81%0.00525%0.252CS..Hα-helixtrans-61.1-44.9177.4-71.3173-172.400111.8F96 D97 A148 T149 K150 Q156 I174 I216F96-M152 HydrophobicContact CD1-CE 3.56Å; F96-M152 HydrophobicContact CD1-CG 4.06Å; F96-M152 HydrophobicContact CE1-CE 3.65Å; F96-M152 WeakPolarHBondContact O-CG 3.49Å; D97-M152 WeakPolarHBondContact O-CE 3.48Å; A148-M152 HydrophobicContact CB-CE 4.31Å; A148-M152 WeakPolarHBondContact O-CB 3.25Å; A148-M152 VanDerWaalsContact O-CG 3.24Å; A148-M152 WeakPolarHBondContact O-CG 3.47Å; A148-M152 PolarHBondContact O-N 3.44Å; T149-M152 PolarHBondContact O-N 2.96Å; K150-M152 PolarHBondContact O-N 2.98Å; M152-Q156 WeakPolarHBondContact O-CB 3.42Å; M152-Q156 VanDerWaalsContact O-CG 3.23Å; M152-Q156 WeakPolarHBondContact O-CG 3.38Å; M152-Q156 PolarHBondContact O-N 2.82Å; M152-I174 HydrophobicContact CE-CG1 3.94Å; M152-I174 HydrophobicContact SD-CG1 4.29Å; M152-I216 HydrophobicContact CB-CD1 3.56Å; M152-I216 HydrophobicContact CB-CG1 4.05Å; M152-I216 HydrophobicContact CG-CD1 4.33Å; M152-I216 HydrophobicContact SD-CD1 3.83Å; M152-I216 HydrophobicContact SD-CG1 3.95Å; M152-I216 HydrophobicContact SD-CG2 3.97Å
153I98.4Very high98.1Very high57 Ų5751.6 Ų51.629%0.29226%0.258SS..Hα-helixtrans-61.6-51.7175.9-69.8167.7000110.2T149 K150 L151 Y155 Q156 E157 T214 I216T149-I153 HydrophobicContact CG2-CD1 3.82Å; T149-I153 VanDerWaalsContact O-CG1 3.29Å; T149-I153 WeakPolarHBondContact O-CG1 3.25Å; T149-I153 PolarHBondContact O-N 3.28Å; K150-I153 PolarHBondContact O-N 2.78Å; L151-I153 PolarHBondContact O-N 3.43Å; I153-Y155 VanDerWaalsContact C-N 3.29Å; I153-Y155 PolarHBondContact O-N 2.9Å; I153-Q156 PolarHBondContact O-N 3.4Å; I153-E157 HydrophobicContact CG2-CG 4.4Å; I153-E157 WeakPolarHBondContact O-CG 3.41Å; I153-E157 PolarHBondContact O-N 2.99Å; I153-T214 HydrophobicContact CD1-CG2 3.99Å; I153-T214 HydrophobicContact CG1-CG2 3.78Å; I153-I216 HydrophobicContact CG1-CD1 4.24Å
154N98.4Very high98Very high87 Ų8753 Ų5347%0.46527%0.267SS..Hα-helixtrans-58.6-41.8-178-72-10.5000112K150 L151 E157 K158K150-N154 WeakPolarHBondContact O-CB 3.17Å; K150-N154 PolarHBondContact O-N 2.99Å; K150-N154 PolarHBondContact O-ND2 3.23Å; L151-N154 PolarHBondContact O-N 3.32Å; N154-E157 PolarHBondContact O-N 3.05Å; N154-K158 PolarHBondContact O-N 3.38Å
155Y98.2Very high97.8Very high39 Ų3959.5 Ų59.515%0.15330%0.296CS..Hα-helixtrans-67.1-41.8178-174.1-118.2000112.4G94 R95 L151 I153 K158 L159G94-Y155 WeakPolarHBondContact O-CB 3.19Å; R95-Y155 HydrophobicContact CB-CD1 4.46Å; R95-Y155 HydrophobicContact CB-CD2 4.01Å; R95-Y155 HydrophobicContact CB-CE1 4.14Å; R95-Y155 HydrophobicContact CB-CE2 3.66Å; R95-Y155 HydrophobicContact CB-CG 4.41Å; R95-Y155 WeakPolarHBondContact CD-OH 3.44Å; R95-Y155 HydrophobicContact CG-CD1 4.14Å; R95-Y155 HydrophobicContact CG-CE1 3.64Å; R95-Y155 HydrophobicContact CG-CE2 4.09Å; L151-Y155 WeakPolarHBondContact O-CB 3.4Å; L151-Y155 PolarHBondContact O-N 3.24Å; I153-Y155 VanDerWaalsContact C-N 3.29Å; I153-Y155 PolarHBondContact O-N 2.9Å; Y155-K158 WeakPolarHBondContact O-CB 3.28Å; Y155-K158 PolarHBondContact O-N 3.17Å; Y155-L159 HydrophobicContact CD1-CD1 4.01Å; Y155-L159 HydrophobicContact CD1-CG 4.45Å; Y155-L159 HydrophobicContact CE1-CD1 3.55Å; Y155-L159 HydrophobicContact CE1-CD2 4.48Å; Y155-L159 HydrophobicContact CE1-CG 4.09Å; Y155-L159 HydrophobicContact CE2-CD2 4.39Å; Y155-L159 HydrophobicContact CE2-CG 4.39Å; Y155-L159 WeakPolarHBondContact O-CG 3.19Å; Y155-L159 PolarHBondContact O-N 3.18Å
156Q97.7Very high97.4Very high13 Ų1363.7 Ų63.76%0.06132%0.318CS..Hα-helixtrans-64.3-41.5176.3-72.2177.329.200111.7M152 I153 K158 L159 K160 L169 N215M152-Q156 WeakPolarHBondContact O-CB 3.42Å; M152-Q156 VanDerWaalsContact O-CG 3.23Å; M152-Q156 WeakPolarHBondContact O-CG 3.38Å; M152-Q156 PolarHBondContact O-N 2.82Å; I153-Q156 PolarHBondContact O-N 3.4Å; Q156-K158 VanDerWaalsContact C-N 3.31Å; Q156-K158 PolarHBondContact O-N 3.37Å; Q156-L159 PolarHBondContact O-N 3.01Å; Q156-K160 WeakPolarHBondContact O-CG 3.5Å; Q156-K160 PolarHBondContact O-N 2.82Å; Q156-L169 HydrophobicContact CB-CD1 4.3Å; Q156-N215 PolarHBondContact NE2-O 2.88Å
157E97.3Very high97Very high73 Ų7366.5 Ų66.534%0.34133%0.331SS..Hα-helixtrans-63.6-36.2174.7-70.1-55.5127.100112.5I153 N154 K160 R161I153-E157 HydrophobicContact CG2-CG 4.4Å; I153-E157 WeakPolarHBondContact O-CG 3.41Å; I153-E157 PolarHBondContact O-N 2.99Å; N154-E157 PolarHBondContact O-N 3.05Å; E157-K160 WeakPolarHBondContact OE1-CE 3.44Å; E157-K160 IonicContact OE1-NZ 3.75Å; E157-K160 PolarHBondContact OE1-NZ 2.89Å; E157-R161 WeakPolarHBondContact O-CG 3.45Å; E157-R161 PolarHBondContact O-N 3.28Å; E157-R161 VanDerWaalsContact O-N 3.17Å
158K97.3Very high96.7Very high56 Ų5670.2 Ų70.224%0.24335%0.349CS..Hα-helixtrans-61.3-49.4170.5176-179.5171.4179.30111.2N93 N154 Y155 Q156 K160 R161 D162N93-K158 PolarHBondContact ND2-NZ 2.76Å; N93-K158 VanDerWaalsContact ND2-NZ 3.15Å; N93-K158 PolarHBondContact O-NZ 3.35Å; N93-K158 PolarHBondContact OD1-NZ 2.99Å; N154-K158 PolarHBondContact O-N 3.38Å; Y155-K158 WeakPolarHBondContact O-CB 3.28Å; Y155-K158 PolarHBondContact O-N 3.17Å; Q156-K158 VanDerWaalsContact C-N 3.31Å; Q156-K158 PolarHBondContact O-N 3.37Å; K158-K160 VanDerWaalsContact C-N 3.3Å; K158-K160 PolarHBondContact O-N 3.17Å; K158-R161 WeakPolarHBondContact O-CB 3.31Å; K158-R161 PolarHBondContact O-N 3.15Å; K158-R161 VanDerWaalsContact O-N 3.13Å; K158-D162 PolarHBondContact O-N 2.76Å
159L97.3Very high96.4Very high38 Ų3870.5 Ų70.520%0.19935%0.351CS..Hα-helixtrans-60.1-38178.8-70.2178.6000112.9Y155 Q156 D162 G163 V164 L169Y155-L159 HydrophobicContact CD1-CD1 4.01Å; Y155-L159 HydrophobicContact CD1-CG 4.45Å; Y155-L159 HydrophobicContact CE1-CD1 3.55Å; Y155-L159 HydrophobicContact CE1-CD2 4.48Å; Y155-L159 HydrophobicContact CE1-CG 4.09Å; Y155-L159 HydrophobicContact CE2-CD2 4.39Å; Y155-L159 HydrophobicContact CE2-CG 4.39Å; Y155-L159 WeakPolarHBondContact O-CG 3.19Å; Y155-L159 PolarHBondContact O-N 3.18Å; Q156-L159 PolarHBondContact O-N 3.01Å; L159-D162 CarbonylContact O-C 3.05Å; L159-D162 PolarHBondContact O-N 2.83Å; L159-G163 PolarHBondContact O-N 3.1Å; L159-V164 HydrophobicContact CB-CB 4.09Å; L159-V164 HydrophobicContact CB-CG2 4.1Å; L159-V164 HydrophobicContact CD2-CG2 4.27Å; L159-V164 VanDerWaalsContact O-CB 3.31Å; L159-V164 WeakPolarHBondContact O-CB 3.49Å; L159-V164 WeakPolarHBondContact O-CG2 3.41Å; L159-V164 PolarHBondContact O-N 3.15Å; L159-L169 HydrophobicContact CB-CD2 3.61Å; L159-L169 HydrophobicContact CD1-CD2 3.76Å; L159-L169 HydrophobicContact CG-CD2 4.37Å
160K97.4Very high96.2Very high72 Ų7274.3 Ų74.331%0.31336%0.362SS..Hα-helixtrans-63-42.9174.9-68.8176.8-162.1178.70112.1Q156 E157 K158 D162 G163 D166 L169Q156-K160 WeakPolarHBondContact O-CG 3.5Å; Q156-K160 PolarHBondContact O-N 2.82Å; E157-K160 WeakPolarHBondContact OE1-CE 3.44Å; E157-K160 IonicContact OE1-NZ 3.75Å; E157-K160 PolarHBondContact OE1-NZ 2.89Å; K158-K160 VanDerWaalsContact C-N 3.3Å; K158-K160 PolarHBondContact O-N 3.17Å; K160-D162 PolarHBondContact O-N 2.97Å; K160-G163 PolarHBondContact O-N 2.76Å; K160-D166 WeakPolarHBondContact CD-OD1 3.32Å; K160-D166 WeakPolarHBondContact CE-OD1 3.5Å; K160-D166 IonicContact NZ-OD1 3.12Å; K160-L169 HydrophobicContact CD-CD1 4.29Å; K160-L169 VanDerWaalsContact CE-CD1 3.47Å; K160-L169 HydrophobicContact CG-CD1 3.86Å
161R97Very high96.2Very high193 Ų19369.1 Ų69.173%0.72834%0.34SS*.Hα-helixtrans-62.5-33.3174.4-68.2176.4-139.1150.83.8112E157 K158 G163E157-R161 WeakPolarHBondContact O-CG 3.45Å; E157-R161 PolarHBondContact O-N 3.28Å; E157-R161 VanDerWaalsContact O-N 3.17Å; K158-R161 WeakPolarHBondContact O-CB 3.31Å; K158-R161 PolarHBondContact O-N 3.15Å; K158-R161 VanDerWaalsContact O-N 3.13Å; R161-G163 PolarHBondContact O-N 3.44Å
162D96.7Very high96.1Very high113 Ų11368.8 Ų68.860%0.60434%0.339SS*.THydrogen-bonded Turntrans-796.2175.4-61.7-17.8000112.9K158 L159 K160K158-D162 PolarHBondContact O-N 2.76Å; L159-D162 CarbonylContact O-C 3.05Å; L159-D162 PolarHBondContact O-N 2.83Å; K160-D162 PolarHBondContact O-N 2.97Å
163G96.8Very high96.2Very high61 Ų6168.9 Ų68.963%0.62934%0.34SS*.THydrogen-bonded Turntrans89.47.317300000115.4L159 K160 R161 K165L159-G163 PolarHBondContact O-N 3.1Å; K160-G163 PolarHBondContact O-N 2.76Å; R161-G163 PolarHBondContact O-N 3.44Å; G163-K165 PolarHBondContact O-N 2.96Å
164V96.6Very high96.2Very high51 Ų5166.1 Ų66.131%0.30933%0.326SS..  trans-73.3124.9173.9-173.90000109.5L159 H168 L169L159-V164 HydrophobicContact CB-CB 4.09Å; L159-V164 HydrophobicContact CB-CG2 4.1Å; L159-V164 HydrophobicContact CD2-CG2 4.27Å; L159-V164 VanDerWaalsContact O-CB 3.31Å; L159-V164 WeakPolarHBondContact O-CB 3.49Å; L159-V164 WeakPolarHBondContact O-CG2 3.41Å; L159-V164 PolarHBondContact O-N 3.15Å; V164-H168 HydrophobicContact CG1-CB 4.04Å; V164-L169 HydrophobicContact CB-CD2 4.11Å; V164-L169 HydrophobicContact CG1-CD2 3.69Å; V164-L169 HydrophobicContact CG1-CG 4.4Å
165K94.4Very high96.2Very high138 Ų13862 Ų6260%0.630%0.304SS*.  trans-70.7150.2178.1-62.3-178.1179.3178.80111.9G163 D167 H168 L169G163-K165 PolarHBondContact O-N 2.96Å; K165-D167 VanDerWaalsContact C-N 3.27Å; K165-D167 WeakPolarHBondContact CB-OD1 3.38Å; K165-D167 PolarHBondContact O-N 3.26Å; K165-H168 WeakPolarHBondContact O-CA 3.08Å; K165-H168 PolarHBondContact O-N 2.87Å; K165-L169 PolarHBondContact O-N 3.48Å
166D90.4Very high96.2Very high88 Ų8860.1 Ų60.147%0.47130%0.296SS..G310 helixtrans-55.7-37.7-177.4-81.5-3.3000113.9K160 H168 L169 R271K160-D166 WeakPolarHBondContact CD-OD1 3.32Å; K160-D166 WeakPolarHBondContact CE-OD1 3.5Å; K160-D166 IonicContact NZ-OD1 3.12Å; D166-H168 VanDerWaalsContact C-N 3.26Å; D166-H168 PolarHBondContact O-N 2.71Å; D166-L169 WeakPolarHBondContact O-CB 3.45Å; D166-L169 PolarHBondContact O-N 3.29Å; D166-R271 PolarHBondContact O-NH1 3.18Å
167D90.1Very high96.3Very high104 Ų10460 Ų6056%0.55630%0.296SS*.G310 helixtrans-71.8-18.1178.163.3-27.1000113.4K165K165-D167 VanDerWaalsContact C-N 3.27Å; K165-D167 WeakPolarHBondContact CB-OD1 3.38Å; K165-D167 PolarHBondContact O-N 3.26Å
168H91.9Very high96.3Very high130 Ų13056.9 Ų56.960%0.60228%0.282SS*.G310 helixtrans-95.3-7.8174.4-62.8-24000113.5V164 K165 D166 R170V164-H168 HydrophobicContact CG1-CB 4.04Å; K165-H168 WeakPolarHBondContact O-CA 3.08Å; K165-H168 PolarHBondContact O-N 2.87Å; D166-H168 VanDerWaalsContact C-N 3.26Å; D166-H168 PolarHBondContact O-N 2.71Å; H168-R170 PolarHBondContact O-N 2.89Å
169L94.1Very high96.2Very high6 Ų654.9 Ų54.93%0.03128%0.275CS..SBendtrans-70.3127.7173.5-61.1175.2000110.3Q156 L159 K160 V164 K165 D166 N215 R271Q156-L169 HydrophobicContact CB-CD1 4.3Å; L159-L169 HydrophobicContact CB-CD2 3.61Å; L159-L169 HydrophobicContact CD1-CD2 3.76Å; L159-L169 HydrophobicContact CG-CD2 4.37Å; K160-L169 HydrophobicContact CD-CD1 4.29Å; K160-L169 VanDerWaalsContact CE-CD1 3.47Å; K160-L169 HydrophobicContact CG-CD1 3.86Å; V164-L169 HydrophobicContact CB-CD2 4.11Å; V164-L169 HydrophobicContact CG1-CD2 3.69Å; V164-L169 HydrophobicContact CG1-CG 4.4Å; K165-L169 PolarHBondContact O-N 3.48Å; D166-L169 WeakPolarHBondContact O-CB 3.45Å; D166-L169 PolarHBondContact O-N 3.29Å; L169-N215 PolarHBondContact O-ND2 3.05Å; L169-R271 PolarHBondContact O-NH1 2.94Å
170R94.5Very high95.9Very high109 Ų10953.9 Ų53.941%0.41127%0.27SS..PPolyproline II helixtrans-67.6130.1169.3175179.4-78.895.1-2109.2H168 G172H168-R170 PolarHBondContact O-N 2.89Å; R170-G172 PolarHBondContact O-N 3.45Å
171P97.6Very high95.6Very high12 Ų1250.6 Ų50.68%0.07826%0.256CS..PPolyproline II helixtrans-60.8136.3170.3-21.132.4000111.2N215 R271 L274 L275P171-N215 WeakPolarHBondContact CA-O 3.46Å; P171-N215 WeakPolarHBondContact CB-OD1 3.49Å; P171-N215 WeakPolarHBondContact CG-OD1 3.3Å; P171-R271 HydrophobicContact CG-CG 3.93Å; P171-L274 HydrophobicContact CB-CD2 3.87Å; P171-L274 HydrophobicContact CB-CG 4.5Å; P171-L274 HydrophobicContact CG-CD2 3.93Å; P171-L275 HydrophobicContact CB-CD2 3.97Å; P171-L275 HydrophobicContact CG-CD2 4.26Å; P171-L275 HydrophobicContact CG-CG 4.27Å
172G98.5Very high95.5Very high3 Ų342 Ų423%0.03123%0.226CC..EExtended strand (participates in β ladder)trans-65.1152.1166.400000110.6R170 N215 I216 C217R170-G172 PolarHBondContact O-N 3.45Å; G172-N215 PolarHBondContact N-O 3.19Å; G172-I216 CarbonylContact O-C 3.56Å; G172-I216 VanDerWaalsContact O-CA 3.32Å; G172-I216 WeakPolarHBondContact O-CA 3.49Å; G172-C217 PolarHBondContact O-N 3.14Å
173L98.9Very high95.3Very high3 Ų342.7 Ų42.72%0.01622%0.22CC..EExtended strand (participates in β ladder)trans-130.1125.6-179.117660.3000111.8D97 I98 L99 V175 C217 F219 I263 A267 L274D97-L173 PolarHBondContact O-N 2.91Å; I98-L173 CarbonylContact C-O 3.6Å; I98-L173 VanDerWaalsContact CA-O 3.27Å; I98-L173 WeakPolarHBondContact CA-O 3.43Å; I98-L173 HydrophobicContact CD1-CD2 4.49Å; I98-L173 HydrophobicContact CG1-CB 4.26Å; I98-L173 HydrophobicContact CG2-CB 4.37Å; I98-L173 HydrophobicContact CG2-CD2 4.28Å; I98-L173 HydrophobicContact CG2-CG 4.3Å; L99-L173 PolarHBondContact N-O 3.41Å; L173-V175 HydrophobicContact CD1-CG2 3.98Å; L173-V175 HydrophobicContact CD2-CG2 4.08Å; L173-V175 HydrophobicContact CG-CG2 3.85Å; L173-C217 WeakPolarHBondContact CA-O 3.23Å; L173-C217 HydrophobicContact CD1-CB 4.34Å; L173-F219 HydrophobicContact CD1-CD1 3.89Å; L173-F219 HydrophobicContact CD1-CE1 3.44Å; L173-F219 VanDerWaalsContact CD1-CE1 3.44Å; L173-F219 HydrophobicContact CD1-CZ 4.33Å; L173-I263 HydrophobicContact CD2-CG2 4.27Å; L173-A267 HydrophobicContact CD2-CB 3.82Å; L173-L274 HydrophobicContact CD1-CD1 4.38Å
174I98.9Very high95Very high0 Ų040.5 Ų40.50%019%0.194CC..EExtended strand (participates in β ladder)trans-118.2125172.5-57.2175.1000108.8L99 A148 T149 M152 I216 C217 I218 F219L99-I174 HydrophobicContact CB-CG1 4.28Å; L99-I174 HydrophobicContact CB-CG2 4.39Å; L99-I174 HydrophobicContact CD2-CG2 4.04Å; L99-I174 HydrophobicContact CG-CG2 4.36Å; L99-I174 CarbonylContact O-C 3.6Å; L99-I174 WeakPolarHBondContact O-CA 3.37Å; A148-I174 HydrophobicContact CB-CD1 4.35Å; T149-I174 WeakPolarHBondContact OG1-CD1 3.22Å; M152-I174 HydrophobicContact CE-CG1 3.94Å; M152-I174 HydrophobicContact SD-CG1 4.29Å; I174-I216 HydrophobicContact CD1-CG2 4.27Å; I174-I216 HydrophobicContact CG1-CG2 4.34Å; I174-C217 PolarHBondContact N-O 2.94Å; I174-I218 HydrophobicContact CB-CB 4.09Å; I174-I218 HydrophobicContact CB-CD1 4.01Å; I174-I218 HydrophobicContact CB-CG1 3.79Å; I174-I218 HydrophobicContact CG2-CD1 3.69Å; I174-I218 HydrophobicContact CG2-CG1 3.83Å; I174-I218 VanDerWaalsContact O-CA 3.28Å; I174-I218 WeakPolarHBondContact O-CA 3.1Å; I174-F219 PolarHBondContact O-N 3.33Å; I174-F219 VanDerWaalsContact O-N 3.1Å
175V98.9Very high94.6Very high0 Ų043.7 Ų43.70%020%0.201CC..EExtended strand (participates in β ladder)trans-119.3119.1-179.1-174.80000109.4L99 V100 N101 L173 I177 F219 L221 I263L99-V175 PolarHBondContact O-N 2.79Å; V100-V175 WeakPolarHBondContact CA-O 3.35Å; V100-V175 HydrophobicContact CG2-CB 4.44Å; N101-V175 PolarHBondContact N-O 3.33Å; L173-V175 HydrophobicContact CD1-CG2 3.98Å; L173-V175 HydrophobicContact CD2-CG2 4.08Å; L173-V175 HydrophobicContact CG-CG2 3.85Å; V175-I177 HydrophobicContact CG1-CD1 4.05Å; V175-F219 HydrophobicContact CB-CE2 4.39Å; V175-F219 HydrophobicContact CB-CZ 4.48Å; V175-F219 HydrophobicContact CG1-CD2 4.27Å; V175-F219 HydrophobicContact CG1-CE2 3.66Å; V175-F219 HydrophobicContact CG1-CZ 4.13Å; V175-F219 HydrophobicContact CG2-CE1 4.1Å; V175-F219 HydrophobicContact CG2-CE2 4.05Å; V175-F219 HydrophobicContact CG2-CZ 3.66Å; V175-L221 HydrophobicContact CG1-CB 3.84Å; V175-L221 HydrophobicContact CG1-CD2 4.44Å; V175-I263 HydrophobicContact CB-CD1 4.37Å; V175-I263 HydrophobicContact CG1-CD1 3.93Å; V175-I263 HydrophobicContact CG1-CG1 4.13Å; V175-I263 HydrophobicContact CG2-CD1 4.4Å; V175-I263 HydrophobicContact CG2-CG1 4.21Å; V175-I263 HydrophobicContact CG2-CG2 4.25Å
176N98.9Very high94.3Very high0 Ų038 Ų380%018%0.176CC..EExtended strand (participates in β ladder)trans-97.3114.8174.3-71.8-32.2000109.7N101 S178 L198 T202 F219 S220 L221N101-N176 VanDerWaalsContact CB-OD1 3.22Å; N101-N176 WeakPolarHBondContact CB-OD1 3.47Å; N101-N176 PolarHBondContact ND2-OD1 2.72Å; N176-S178 PolarHBondContact O-N 3.2Å; N176-L198 HydrophobicContact CB-CD1 3.8Å; N176-L198 HydrophobicContact CB-CD2 4.27Å; N176-L198 HydrophobicContact CB-CG 4.02Å; N176-T202 PolarHBondContact ND2-OG1 2.94Å; N176-F219 PolarHBondContact N-O 3.21Å; N176-S220 CarbonylContact O-C 3.48Å; N176-S220 WeakPolarHBondContact O-CA 3.37Å; N176-L221 PolarHBondContact O-N 3.42Å
177I98.6Very high94.2Very high11 Ų1134.6 Ų34.66%0.05616%0.158CC..EExtended strand (participates in β ladder)trans-75101.1175.8-54.5-54.1000109.1I19 I23 V100 N101 N102 V175 K195 L221 P223I19-I177 HydrophobicContact CG2-CG2 4.43Å; I23-I177 HydrophobicContact CD1-CD1 3.88Å; I23-I177 HydrophobicContact CD1-CG1 4.29Å; V100-I177 HydrophobicContact CG1-CD1 4.12Å; V100-I177 HydrophobicContact CG1-CG1 4.04Å; N101-I177 PolarHBondContact O-N 2.95Å; N102-I177 HydrophobicContact CB-CB 4.34Å; N102-I177 HydrophobicContact CB-CG1 3.72Å; V175-I177 HydrophobicContact CG1-CD1 4.05Å; I177-K195 PolarHBondContact O-NZ 3.37Å; I177-L221 HydrophobicContact CD1-CB 4.08Å; I177-L221 HydrophobicContact CD1-CD2 3.96Å; I177-P223 HydrophobicContact CG2-CG 3.97Å
178S97.6Very high94.2Very high6 Ų629.7 Ų29.74%0.04213%0.131CC..  trans-104.8-157.5-179.6-171.40000110.1N176 D199 L221 W222N176-S178 PolarHBondContact O-N 3.2Å; S178-D199 WeakPolarHBondContact CB-OD1 3.36Å; S178-D199 PolarHBondContact OG-OD1 2.84Å; S178-L221 PolarHBondContact N-O 3.48Å; S178-W222 PolarHBondContact OG-NE1 2.74Å
179S94.9Very high94.3Very high14 Ų1425.5 Ų25.510%0.09812%0.12CC..  trans-160.5156.8-174.6178.60000110.4G181 A182 Y191 W222S179-G181 PolarHBondContact O-N 2.98Å; S179-G181 PolarHBondContact OG-N 2.91Å; S179-A182 VanDerWaalsContact O-CB 3.24Å; S179-A182 WeakPolarHBondContact O-CB 3.42Å; S179-A182 PolarHBondContact O-N 3.41Å; S179-Y191 WeakPolarHBondContact CB-OH 3.27Å; S179-Y191 PolarHBondContact OG-OH 3.35Å; S179-W222 VanDerWaalsContact O-CE2 3.3Å; S179-W222 PolarHBondContact O-NE1 3.34Å
180I91.7Very high94.4Very high18 Ų1826 Ų269%0.09212%0.123CC..G310 helixtrans-54.6-23.4166.9-161.4159.8000113.1A182 R183 I184 W222 I246 V333 L337I180-A182 PolarHBondContact O-N 3.48Å; I180-R183 PolarHBondContact O-N 2.98Å; I180-I184 HydrophobicContact CD1-CD1 4.47Å; I180-I184 HydrophobicContact CG1-CD1 4.1Å; I180-I184 HydrophobicContact CG1-CG1 4.34Å; I180-I184 HydrophobicContact CG2-CD1 4.27Å; I180-I184 PolarHBondContact O-N 3.49Å; I180-W222 HydrophobicContact CB-CE3 4.16Å; I180-W222 HydrophobicContact CB-CZ3 4.34Å; I180-W222 HydrophobicContact CG1-CE3 4.37Å; I180-W222 HydrophobicContact CG1-CZ3 4.13Å; I180-I246 HydrophobicContact CG2-CD1 4Å; I180-V333 HydrophobicContact CD1-CG1 4.39Å; I180-L337 HydrophobicContact CD1-CD1 3.29Å; I180-L337 HydrophobicContact CG1-CD1 4.27Å
181G91.7Very high94.4Very high2 Ų221.8 Ų21.82%0.02111%0.107CC..G310 helixtrans-58.5-13.2170.900000114.8S179 R183 I184 G192S179-G181 PolarHBondContact O-N 2.98Å; S179-G181 PolarHBondContact OG-N 2.91Å; G181-R183 PolarHBondContact O-N 3.39Å; G181-I184 VanDerWaalsContact O-O 3.07Å; G181-G192 WeakPolarHBondContact O-CA 3.18Å
182A94.8Very high94.3Very high12 Ų1221.9 Ų21.910%0.09911%0.111CC..G310 helixtrans-66.6-16.3168.400000113.5S179 I180 K195 A196 D199 W222S179-A182 VanDerWaalsContact O-CB 3.24Å; S179-A182 WeakPolarHBondContact O-CB 3.42Å; S179-A182 PolarHBondContact O-N 3.41Å; I180-A182 PolarHBondContact O-N 3.48Å; A182-K195 VanDerWaalsContact CB-C 3.49Å; A182-K195 HydrophobicContact CB-CB 3.91Å; A182-K195 WeakPolarHBondContact CB-O 3.46Å; A182-A196 WeakPolarHBondContact O-CB 3.43Å; A182-D199 WeakPolarHBondContact CB-OD2 3.27Å; A182-W222 HydrophobicContact CB-CZ2 3.89Å
183R92.4Very high94.3Very high128 Ų12824 Ų2448%0.48313%0.128SC..THydrogen-bonded Turntrans-123.7-19.6-175.1-62.8-63.4-72.3-143.7-5.6114.8I180 G181 W222 T334 R338I180-R183 PolarHBondContact O-N 2.98Å; G181-R183 PolarHBondContact O-N 3.39Å; R183-W222 HydrophobicContact CB-CH2 4.31Å; R183-W222 HydrophobicContact CG-CH2 3.33Å; R183-W222 HydrophobicContact CG-CZ2 3.93Å; R183-W222 HydrophobicContact CG-CZ3 4.29Å; R183-T334 HydrophobicContact CB-CG2 3.69Å; R183-T334 HydrophobicContact CG-CG2 4.22Å; R183-R338 PolarHBondContact O-NE 3.29Å; R183-R338 PolarHBondContact O-NH2 3.13Å
184I89.7Confident94.2Very high15 Ų1524 Ų248%0.07713%0.128CC..SBendtrans-132.2159.7-17867.4174.4000109.3I180 G181 F186 I246 T334 L337 R338I180-I184 HydrophobicContact CD1-CD1 4.47Å; I180-I184 HydrophobicContact CG1-CD1 4.1Å; I180-I184 HydrophobicContact CG1-CG1 4.34Å; I180-I184 HydrophobicContact CG2-CD1 4.27Å; I180-I184 PolarHBondContact O-N 3.49Å; G181-I184 VanDerWaalsContact O-O 3.07Å; I184-F186 PolarHBondContact O-N 3.1Å; I184-I246 HydrophobicContact CD1-CD1 3.83Å; I184-T334 HydrophobicContact CG2-CG2 4.29Å; I184-L337 HydrophobicContact CD1-CB 3.76Å; I184-L337 HydrophobicContact CD1-CD1 3.83Å; I184-L337 HydrophobicContact CD1-CG 4.38Å; I184-L337 HydrophobicContact CG2-CB 4.31Å; I184-R338 HydrophobicContact CB-CG 4.47Å; I184-R338 HydrophobicContact CG2-CG 3.89Å
185Y88.7Confident94.2Very high118 Ų11825 Ų2546%0.46313%0.133SC..  trans-59.4129.4170.3-176.9-92.5000109.9F187Y185-F187 PolarHBondContact OH-O 3.09Å
186F87.3Confident94.1Very high18 Ų1826.8 Ų26.88%0.07915%0.148CC..  trans-152.8125.5179.3-156.8-94.2000108.5I184 N188 Y191 L242 I246I184-F186 PolarHBondContact O-N 3.1Å; F186-N188 VanDerWaalsContact C-N 3.28Å; F186-N188 PolarHBondContact O-N 3.05Å; F186-Y191 HydrophobicContact CB-CD1 4.02Å; F186-Y191 HydrophobicContact CB-CE1 3.89Å; F186-Y191 HydrophobicContact CD1-CD1 4.05Å; F186-Y191 AromaticContact CD1-CE1 3.41Å; F186-Y191 HydrophobicContact CD1-CE1 3.41Å; F186-Y191 VanDerWaalsContact CD1-CE1 3.41Å; F186-Y191 HydrophobicContact CE1-CE1 4.33Å; F186-Y191 HydrophobicContact CG-CE1 4.03Å; F186-Y191 WeakPolarHBondContact O-CD1 3.09Å; F186-L242 HydrophobicContact CE1-CB 4.33Å; F186-L242 HydrophobicContact CE2-CB 4.4Å; F186-L242 WeakPolarHBondContact CE2-O 3.25Å; F186-L242 HydrophobicContact CZ-CB 3.68Å; F186-L242 WeakPolarHBondContact CZ-O 3.48Å; F186-I246 HydrophobicContact CD2-CD1 3.77Å; F186-I246 HydrophobicContact CE2-CB 3.72Å; F186-I246 HydrophobicContact CE2-CD1 3.4Å; F186-I246 HydrophobicContact CE2-CG1 4.03Å; F186-I246 HydrophobicContact CE2-CG2 3.91Å; F186-I246 HydrophobicContact CZ-CG2 4.31Å
187F88.7Confident94.1Very high17 Ų1728.6 Ų28.68%0.07516%0.163CC..SBendtrans56.6-75-169.3-60.2-61.2000115.2L110 L111 V114 Y185 Y191 L242L110-F187 HydrophobicContact CB-CB 4.37Å; L110-F187 HydrophobicContact CB-CD1 4.1Å; L110-F187 HydrophobicContact CB-CD2 4.13Å; L110-F187 HydrophobicContact CB-CE1 4.43Å; L110-F187 HydrophobicContact CB-CE2 4.4Å; L110-F187 HydrophobicContact CB-CG 3.97Å; L110-F187 HydrophobicContact CD1-CD2 3.73Å; L110-F187 HydrophobicContact CD1-CE2 4.05Å; L110-F187 HydrophobicContact CD1-CG 4.3Å; L110-F187 HydrophobicContact CD2-CB 3.89Å; L110-F187 HydrophobicContact CD2-CD2 4.45Å; L110-F187 HydrophobicContact CD2-CG 4.29Å; L110-F187 HydrophobicContact CG-CD2 4.32Å; L110-F187 HydrophobicContact CG-CG 4.41Å; L111-F187 HydrophobicContact CD2-CE1 4.07Å; L111-F187 HydrophobicContact CD2-CZ 4.35Å; V114-F187 HydrophobicContact CB-CD1 4.28Å; V114-F187 HydrophobicContact CG2-CD1 3.83Å; V114-F187 HydrophobicContact CG2-CE1 4.03Å; Y185-F187 PolarHBondContact OH-O 3.09Å; F187-Y191 HydrophobicContact CB-CG 4.48Å; F187-Y191 HydrophobicContact CD2-CD1 4.05Å; F187-Y191 HydrophobicContact CD2-CD2 4.19Å; F187-Y191 HydrophobicContact CD2-CE1 4.1Å; F187-Y191 HydrophobicContact CD2-CE2 4.23Å; F187-Y191 HydrophobicContact CD2-CG 4.08Å; F187-L242 HydrophobicContact CE1-CD2 4.3Å; F187-L242 HydrophobicContact CZ-CB 4.38Å; F187-L242 HydrophobicContact CZ-CD2 3.93Å
188N90.9Very high94.1Very high1 Ų128.1 Ų28.11%0.00516%0.16CC..  trans-160.3173.9-176.355.540.4000111.9L110 F186 P190 Y191 G192L110-N188 WeakPolarHBondContact CD2-ND2 3.42Å; F186-N188 VanDerWaalsContact C-N 3.28Å; F186-N188 PolarHBondContact O-N 3.05Å; N188-P190 WeakPolarHBondContact OD1-CD 3.43Å; N188-Y191 PolarHBondContact O-N 2.8Å; N188-Y191 WeakPolarHBondContact OD1-CB 3.24Å; N188-Y191 PolarHBondContact OD1-N 2.93Å; N188-G192 PolarHBondContact O-N 3.23Å
189A94Very high94.2Very high43 Ų4328.8 Ų28.836%0.35516%0.163SC..Hα-helixtrans-59.5-45.8-176.100000114Y118 Y191 G192 A193Y118-A189 HydrophobicContact CD1-CB 4.07Å; Y118-A189 HydrophobicContact CG-CB 4.03Å; A189-Y191 VanDerWaalsContact C-N 3.32Å; A189-Y191 PolarHBondContact O-N 3.12Å; A189-G192 PolarHBondContact O-N 2.79Å; A189-A193 VanDerWaalsContact O-CB 3.28Å; A189-A193 WeakPolarHBondContact O-CB 3.21Å; A189-A193 PolarHBondContact O-N 3.17Å
190P95.5Very high94.4Very high17 Ų1735.2 Ų35.211%0.1119%0.186CC..Hα-helixtrans-61.6-36.4178.1-24.734000113.8W130 I133 N134 N188 G194W130-P190 HydrophobicContact CE3-CB 3.82Å; W130-P190 HydrophobicContact CE3-CG 4.2Å; W130-P190 HydrophobicContact CZ3-CB 4.26Å; I133-P190 HydrophobicContact CD1-CB 3.73Å; I133-P190 HydrophobicContact CD1-CG 4.39Å; N134-P190 PolarHBondContact ND2-O 3.19Å; N188-P190 WeakPolarHBondContact OD1-CD 3.43Å; P190-G194 PolarHBondContact O-N 3.34Å
191Y95.2Very high94.7Very high19 Ų1935.6 Ų35.68%0.07519%0.187CC..Hα-helixtrans-64-52.3176.1177.3-95.4000111.9F104 L110 S179 F186 F187 N188 A189 A193 G194 K195F104-Y191 HydrophobicContact CE1-CD2 4.43Å; F104-Y191 HydrophobicContact CE1-CE2 4.22Å; F104-Y191 AromaticContact CZ-CD2 3.87Å; F104-Y191 HydrophobicContact CZ-CD2 3.87Å; F104-Y191 AromaticContact CZ-CE2 3.96Å; F104-Y191 HydrophobicContact CZ-CE2 3.96Å; L110-Y191 HydrophobicContact CD1-CD2 3.48Å; L110-Y191 VanDerWaalsContact CD1-CD2 3.48Å; L110-Y191 HydrophobicContact CD1-CE2 3.95Å; L110-Y191 HydrophobicContact CD1-CG 4.23Å; L110-Y191 HydrophobicContact CD2-CD2 4.46Å; S179-Y191 WeakPolarHBondContact CB-OH 3.27Å; S179-Y191 PolarHBondContact OG-OH 3.35Å; F186-Y191 HydrophobicContact CB-CD1 4.02Å; F186-Y191 HydrophobicContact CB-CE1 3.89Å; F186-Y191 HydrophobicContact CD1-CD1 4.05Å; F186-Y191 AromaticContact CD1-CE1 3.41Å; F186-Y191 HydrophobicContact CD1-CE1 3.41Å; F186-Y191 VanDerWaalsContact CD1-CE1 3.41Å; F186-Y191 HydrophobicContact CE1-CE1 4.33Å; F186-Y191 HydrophobicContact CG-CE1 4.03Å; F186-Y191 WeakPolarHBondContact O-CD1 3.09Å; F187-Y191 HydrophobicContact CB-CG 4.48Å; F187-Y191 HydrophobicContact CD2-CD1 4.05Å; F187-Y191 HydrophobicContact CD2-CD2 4.19Å; F187-Y191 HydrophobicContact CD2-CE1 4.1Å; F187-Y191 HydrophobicContact CD2-CE2 4.23Å; F187-Y191 HydrophobicContact CD2-CG 4.08Å; N188-Y191 PolarHBondContact O-N 2.8Å; N188-Y191 WeakPolarHBondContact OD1-CB 3.24Å; N188-Y191 PolarHBondContact OD1-N 2.93Å; A189-Y191 VanDerWaalsContact C-N 3.32Å; A189-Y191 PolarHBondContact O-N 3.12Å; Y191-A193 PolarHBondContact O-N 3.03Å; Y191-G194 PolarHBondContact O-N 2.77Å; Y191-K195 HydrophobicContact CE1-CG 4.07Å; Y191-K195 HydrophobicContact CE2-CG 4.08Å; Y191-K195 PolarHBondContact O-N 3.22Å
192G95Very high95Very high15 Ų1535.5 Ų35.516%0.15519%0.187CC..Hα-helixtrans-61.7-43.718000000112.2G181 N188 A189 G194 K195 A196G181-G192 WeakPolarHBondContact O-CA 3.18Å; N188-G192 PolarHBondContact O-N 3.23Å; A189-G192 PolarHBondContact O-N 2.79Å; G192-G194 VanDerWaalsContact C-N 3.35Å; G192-G194 PolarHBondContact O-N 2.71Å; G192-K195 PolarHBondContact O-N 3.02Å; G192-A196 VanDerWaalsContact O-CB 3.31Å; G192-A196 WeakPolarHBondContact O-CB 3.2Å; G192-A196 PolarHBondContact O-N 3.46Å
193A97.2Very high95.2Very high46 Ų4637.5 Ų37.538%0.3820%0.199SC..Hα-helixtrans-59.2-45.3174.600000111.7W130 A189 Y191 A196 A197W130-A193 HydrophobicContact CH2-CB 4.1Å; W130-A193 HydrophobicContact CZ3-CB 4.18Å; A189-A193 VanDerWaalsContact O-CB 3.28Å; A189-A193 WeakPolarHBondContact O-CB 3.21Å; A189-A193 PolarHBondContact O-N 3.17Å; Y191-A193 PolarHBondContact O-N 3.03Å; A193-A196 PolarHBondContact O-N 2.85Å; A193-A197 VanDerWaalsContact O-CB 3.27Å; A193-A197 WeakPolarHBondContact O-CB 3.4Å; A193-A197 PolarHBondContact O-N 3.32Å
194G98.2Very high95.5Very high3 Ų335.1 Ų35.13%0.03120%0.196CC..Hα-helixtrans-59.5-48.1177.700000113.5N134 P190 Y191 G192 A197 L198N134-G194 WeakPolarHBondContact OD1-CA 3.17Å; P190-G194 PolarHBondContact O-N 3.34Å; Y191-G194 PolarHBondContact O-N 2.77Å; G192-G194 VanDerWaalsContact C-N 3.35Å; G192-G194 PolarHBondContact O-N 2.71Å; G194-A197 PolarHBondContact O-N 3.48Å; G194-L198 WeakPolarHBondContact O-CB 3.43Å; G194-L198 PolarHBondContact O-N 3.21Å
195K97.8Very high96Very high21 Ų2136 Ų369%0.09120%0.2CC..Hα-helixtrans-69.7-36.4179.2-66.4-60.4-172.1-173.90112.4I177 A182 Y191 G192 L198 D199I177-K195 PolarHBondContact O-NZ 3.37Å; A182-K195 VanDerWaalsContact CB-C 3.49Å; A182-K195 HydrophobicContact CB-CB 3.91Å; A182-K195 WeakPolarHBondContact CB-O 3.46Å; Y191-K195 HydrophobicContact CE1-CG 4.07Å; Y191-K195 HydrophobicContact CE2-CG 4.08Å; Y191-K195 PolarHBondContact O-N 3.22Å; G192-K195 PolarHBondContact O-N 3.02Å; K195-L198 HydrophobicContact CD-CD2 4.39Å; K195-L198 PolarHBondContact O-N 3.39Å; K195-D199 PolarHBondContact O-N 3.09Å; K195-D199 VanDerWaalsContact O-N 3.15Å
196A98.2Very high96.4Very high39 Ų3930.6 Ų30.632%0.32218%0.18SC..Hα-helixtrans-65.3-41.717300000112.1A182 G192 A193 D199 R200A182-A196 WeakPolarHBondContact O-CB 3.43Å; G192-A196 VanDerWaalsContact O-CB 3.31Å; G192-A196 WeakPolarHBondContact O-CB 3.2Å; G192-A196 PolarHBondContact O-N 3.46Å; A193-A196 PolarHBondContact O-N 2.85Å; A196-D199 PolarHBondContact O-N 2.95Å; A196-R200 PolarHBondContact O-N 3.31Å
197A98.7Very high97Very high38 Ų3837.4 Ų37.431%0.31421%0.206SC..Hα-helixtrans-64.5-39175.300000111.8L138 A193 G194 D199 R200 M201L138-A197 HydrophobicContact CD1-CB 3.89Å; L138-A197 HydrophobicContact CD2-CB 3.73Å; L138-A197 HydrophobicContact CG-CB 4.49Å; A193-A197 VanDerWaalsContact O-CB 3.27Å; A193-A197 WeakPolarHBondContact O-CB 3.4Å; A193-A197 PolarHBondContact O-N 3.32Å; G194-A197 PolarHBondContact O-N 3.48Å; A197-D199 PolarHBondContact O-N 3.23Å; A197-R200 PolarHBondContact O-N 3.49Å; A197-M201 VanDerWaalsContact O-CB 3.23Å; A197-M201 WeakPolarHBondContact O-CB 3.34Å; A197-M201 PolarHBondContact O-N 3.09Å
198L98.7Very high97.5Very high0 Ų040.1 Ų40.10%022%0.222CC..Hα-helixtrans-61.6-42.6175.9-176.957.3000112L138 N141 N176 G194 K195 M201 T202L138-L198 HydrophobicContact CD1-CB 4.09Å; N141-L198 HydrophobicContact CB-CD1 4Å; N176-L198 HydrophobicContact CB-CD1 3.8Å; N176-L198 HydrophobicContact CB-CD2 4.27Å; N176-L198 HydrophobicContact CB-CG 4.02Å; G194-L198 WeakPolarHBondContact O-CB 3.43Å; G194-L198 PolarHBondContact O-N 3.21Å; K195-L198 HydrophobicContact CD-CD2 4.39Å; K195-L198 PolarHBondContact O-N 3.39Å; L198-M201 HydrophobicContact CD1-CE 3.57Å; L198-T202 WeakPolarHBondContact O-CB 3.31Å; L198-T202 PolarHBondContact O-N 3.38Å; L198-T202 PolarHBondContact O-OG1 2.83Å
199D98.6Very high97.8Very high20 Ų2040.6 Ų40.611%0.10722%0.224CC..Hα-helixtrans-68.1-40.8176.3-72-4.1000112.3S178 A182 K195 A196 A197 T202 C203 S220 W222 V281S178-D199 WeakPolarHBondContact CB-OD1 3.36Å; S178-D199 PolarHBondContact OG-OD1 2.84Å; A182-D199 WeakPolarHBondContact CB-OD2 3.27Å; K195-D199 PolarHBondContact O-N 3.09Å; K195-D199 VanDerWaalsContact O-N 3.15Å; A196-D199 PolarHBondContact O-N 2.95Å; A197-D199 PolarHBondContact O-N 3.23Å; D199-T202 WeakPolarHBondContact O-CB 3.48Å; D199-T202 PolarHBondContact O-N 2.93Å; D199-C203 PolarHBondContact O-N 3.34Å; D199-C203 VanDerWaalsContact O-N 3.09Å; D199-S220 WeakPolarHBondContact OD1-CB 3.37Å; D199-S220 PolarHBondContact OD1-OG 2.93Å; D199-W222 WeakPolarHBondContact OD2-CZ2 3.34Å; D199-W222 PolarHBondContact OD2-NE1 3.47Å; D199-V281 HydrophobicContact CB-CG2 4.3Å
200R98.7Very high98Very high149 Ų14946.6 Ų46.656%0.56224%0.242SC*.Hα-helixtrans-61-49.7173.6172.251.861.1-175.55.7111A196 A197 T202 C203 D204A196-R200 PolarHBondContact O-N 3.31Å; A197-R200 PolarHBondContact O-N 3.49Å; R200-T202 VanDerWaalsContact C-N 3.29Å; R200-T202 PolarHBondContact O-N 3.46Å; R200-C203 WeakPolarHBondContact O-CB 3.47Å; R200-C203 PolarHBondContact O-N 3.4Å; R200-C203 VanDerWaalsContact O-N 3.1Å; R200-D204 VanDerWaalsContact CD-CG 3.48Å; R200-D204 VanDerWaalsContact CD-OD1 3.24Å; R200-D204 WeakPolarHBondContact CD-OD1 3.23Å; R200-D204 WeakPolarHBondContact CD-OD2 3.48Å; R200-D204 IonicContact NH1-OD1 3.68Å; R200-D204 PolarHBondContact NH1-OD1 3.27Å; R200-D204 VanDerWaalsContact NH1-OD1 3.12Å; R200-D204 VanDerWaalsContact O-CG 3.31Å; R200-D204 PolarHBondContact O-N 3.19Å
201M98.8Very high98.1Very high27 Ų2753.2 Ų53.213%0.13327%0.265CS..Hα-helixtrans-56.9-43.1177.9-177.818077.300111.6N141 Y142 A197 L198 C203 D204 M205N141-M201 HydrophobicContact CB-CE 4.14Å; Y142-M201 VanDerWaalsContact CB-SD 3.55Å; Y142-M201 HydrophobicContact CD2-CG 4.43Å; Y142-M201 HydrophobicContact CD2-SD 3.74Å; Y142-M201 HydrophobicContact CG-SD 4.13Å; A197-M201 VanDerWaalsContact O-CB 3.23Å; A197-M201 WeakPolarHBondContact O-CB 3.34Å; A197-M201 PolarHBondContact O-N 3.09Å; L198-M201 HydrophobicContact CD1-CE 3.57Å; M201-C203 PolarHBondContact O-N 3.44Å; M201-D204 PolarHBondContact O-N 3.49Å; M201-M205 HydrophobicContact CE-CE 4.33Å; M201-M205 HydrophobicContact CG-CE 3.6Å; M201-M205 HydrophobicContact CG-CG 4.41Å; M201-M205 HydrophobicContact CG-SD 3.99Å; M201-M205 WeakPolarHBondContact O-CB 3.48Å; M201-M205 VanDerWaalsContact O-CG 3.25Å; M201-M205 WeakPolarHBondContact O-CG 3.44Å; M201-M205 PolarHBondContact O-N 3.33Å; M201-M205 HydrophobicContact SD-CE 3.81Å
202T98.9Very high98.2Very high0 Ų055.6 Ų55.60%028%0.282CS..Hα-helixtrans-58.5-47175.6-58.60000111.5N176 L198 D199 R200 A206 I218 F219 S220N176-T202 PolarHBondContact ND2-OG1 2.94Å; L198-T202 WeakPolarHBondContact O-CB 3.31Å; L198-T202 PolarHBondContact O-N 3.38Å; L198-T202 PolarHBondContact O-OG1 2.83Å; D199-T202 WeakPolarHBondContact O-CB 3.48Å; D199-T202 PolarHBondContact O-N 2.93Å; R200-T202 VanDerWaalsContact C-N 3.29Å; R200-T202 PolarHBondContact O-N 3.46Å; T202-A206 WeakPolarHBondContact O-CB 3.24Å; T202-A206 PolarHBondContact O-N 3.09Å; T202-I218 HydrophobicContact CG2-CG1 3.95Å; T202-F219 VanDerWaalsContact CG2-CA 3.46Å; T202-S220 PolarHBondContact OG1-OG 2.99Å
203C98.7Very high98.2Very high53 Ų5362 Ų6236%0.35831%0.312SS..Hα-helixtrans-63.8-44.1179-1730000112.3D199 R200 M201 A206 Y207D199-C203 PolarHBondContact O-N 3.34Å; D199-C203 VanDerWaalsContact O-N 3.09Å; R200-C203 WeakPolarHBondContact O-CB 3.47Å; R200-C203 PolarHBondContact O-N 3.4Å; R200-C203 VanDerWaalsContact O-N 3.1Å; M201-C203 PolarHBondContact O-N 3.44Å; C203-A206 WeakPolarHBondContact O-CB 3.42Å; C203-A206 PolarHBondContact O-N 3.34Å; C203-Y207 PolarHBondContact O-N 2.97Å
204D98.8Very high98.2Very high78 Ų7861.2 Ų61.242%0.41730%0.303SS..Hα-helixtrans-71.2-38.7-177.3-61.7-9.4000111.1R200 M201 A206 Y207 D208R200-D204 VanDerWaalsContact CD-CG 3.48Å; R200-D204 VanDerWaalsContact CD-OD1 3.24Å; R200-D204 WeakPolarHBondContact CD-OD1 3.23Å; R200-D204 WeakPolarHBondContact CD-OD2 3.48Å; R200-D204 IonicContact NH1-OD1 3.68Å; R200-D204 PolarHBondContact NH1-OD1 3.27Å; R200-D204 VanDerWaalsContact NH1-OD1 3.12Å; R200-D204 VanDerWaalsContact O-CG 3.31Å; R200-D204 PolarHBondContact O-N 3.19Å; M201-D204 PolarHBondContact O-N 3.49Å; D204-A206 PolarHBondContact O-N 2.95Å; D204-Y207 WeakPolarHBondContact O-CB 3.47Å; D204-Y207 PolarHBondContact O-N 3.19Å; D204-D208 PolarHBondContact O-N 3.06Å
205M98.9Very high98.2Very high34 Ų3461.6 Ų61.617%0.16730%0.304CS..Hα-helixtrans-61.5-42.2170.3-73.7176.9174.700111.9Y142 M201 Y207 D208 L209 I218Y142-M205 HydrophobicContact CD2-CE 3.24Å; Y142-M205 HydrophobicContact CE2-CE 3.65Å; Y142-M205 HydrophobicContact CG-CE 4.25Å; M201-M205 HydrophobicContact CE-CE 4.33Å; M201-M205 HydrophobicContact CG-CE 3.6Å; M201-M205 HydrophobicContact CG-CG 4.41Å; M201-M205 HydrophobicContact CG-SD 3.99Å; M201-M205 WeakPolarHBondContact O-CB 3.48Å; M201-M205 VanDerWaalsContact O-CG 3.25Å; M201-M205 WeakPolarHBondContact O-CG 3.44Å; M201-M205 PolarHBondContact O-N 3.33Å; M201-M205 HydrophobicContact SD-CE 3.81Å; M205-Y207 VanDerWaalsContact C-N 3.26Å; M205-Y207 PolarHBondContact O-N 3Å; M205-D208 PolarHBondContact O-N 3.41Å; M205-L209 WeakPolarHBondContact O-CG 3.34Å; M205-L209 PolarHBondContact O-N 3.41Å; M205-I218 HydrophobicContact CB-CD1 4.12Å; M205-I218 HydrophobicContact CB-CG2 4.26Å; M205-I218 HydrophobicContact SD-CD1 3.69Å
206A98.8Very high98.2Very high5 Ų560.6 Ų60.64%0.04130%0.3CS..Hα-helixtrans-60.5-37.1176.200000112.4T202 C203 D204 L209 K210 I218 N278 G279T202-A206 WeakPolarHBondContact O-CB 3.24Å; T202-A206 PolarHBondContact O-N 3.09Å; C203-A206 WeakPolarHBondContact O-CB 3.42Å; C203-A206 PolarHBondContact O-N 3.34Å; D204-A206 PolarHBondContact O-N 2.95Å; A206-L209 PolarHBondContact O-N 3.46Å; A206-K210 WeakPolarHBondContact O-CB 3.36Å; A206-K210 PolarHBondContact O-N 2.93Å; A206-I218 HydrophobicContact CB-CG2 3.73Å; A206-N278 VanDerWaalsContact CB-OD1 3.31Å; A206-N278 WeakPolarHBondContact CB-OD1 3.34Å; A206-N278 PolarHBondContact O-ND2 3.02Å; A206-G279 VanDerWaalsContact CB-N 3.26Å
207Y98.6Very high98.3Very high160 Ų16058.8 Ų58.863%0.62729%0.285SS*.Hα-helixtrans-61.1-46174.2-177.9-90.5000111.7C203 D204 M205 K210 R211C203-Y207 PolarHBondContact O-N 2.97Å; D204-Y207 WeakPolarHBondContact O-CB 3.47Å; D204-Y207 PolarHBondContact O-N 3.19Å; M205-Y207 VanDerWaalsContact C-N 3.26Å; M205-Y207 PolarHBondContact O-N 3Å; Y207-K210 PolarHBondContact O-N 2.76Å; Y207-R211 PolarHBondContact O-N 2.63Å
208D98.7Very high98.3Very high75 Ų7557 Ų5740%0.40127%0.27SS..Hα-helixtrans-63.6-44176.8-83.4-14.8000112.5D204 M205 K210 R211 T212D204-D208 PolarHBondContact O-N 3.06Å; M205-D208 PolarHBondContact O-N 3.41Å; D208-K210 VanDerWaalsContact C-N 3.3Å; D208-K210 PolarHBondContact O-N 2.84Å; D208-R211 VanDerWaalsContact CG-NH2 3.29Å; D208-R211 PolarHBondContact O-N 3.19Å; D208-R211 IonicContact OD1-CZ 3.06Å; D208-R211 IonicContact OD1-NE 3.53Å; D208-R211 PolarHBondContact OD1-NE 3.37Å; D208-R211 IonicContact OD1-NH2 3.58Å; D208-R211 PolarHBondContact OD1-NH2 2.67Å; D208-R211 IonicContact OD2-NH2 3.58Å; D208-T212 WeakPolarHBondContact O-CB 3.46Å; D208-T212 WeakPolarHBondContact O-CG2 3.44Å; D208-T212 PolarHBondContact O-N 2.84Å; D208-T212 VanDerWaalsContact O-N 3.12Å; D208-T212 PolarHBondContact O-OG1 3.07Å
209L98.6Very high98.3Very high11 Ų1157 Ų576%0.05827%0.27CS..Hα-helixtrans-59.8-42.1175.1-67.1174000111.2T149 M205 A206 T212 N213 T214 I216 I218T149-L209 HydrophobicContact CG2-CD2 4.05Å; M205-L209 WeakPolarHBondContact O-CG 3.34Å; M205-L209 PolarHBondContact O-N 3.41Å; A206-L209 PolarHBondContact O-N 3.46Å; L209-T212 PolarHBondContact O-OG1 2.87Å; L209-N213 PolarHBondContact O-N 2.68Å; L209-T214 HydrophobicContact CD2-CG2 3.6Å; L209-T214 PolarHBondContact O-N 2.96Å; L209-I216 HydrophobicContact CD1-CB 4.01Å; L209-I216 HydrophobicContact CD1-CG2 3.82Å; L209-I216 HydrophobicContact CD2-CB 4.11Å; L209-I216 HydrophobicContact CD2-CD1 4.26Å; L209-I218 HydrophobicContact CD1-CB 4.28Å; L209-I218 HydrophobicContact CD1-CG2 3.76Å
210K97.9Very high98.3Very high168 Ų16856 Ų5673%0.7327%0.265SS*.Hα-helixtrans-67-49.7178.3-175.6176.4179.7177.70112.4A206 Y207 D208 T212 N213A206-K210 WeakPolarHBondContact O-CB 3.36Å; A206-K210 PolarHBondContact O-N 2.93Å; Y207-K210 PolarHBondContact O-N 2.76Å; D208-K210 VanDerWaalsContact C-N 3.3Å; D208-K210 PolarHBondContact O-N 2.84Å; K210-T212 PolarHBondContact O-N 2.9Å; K210-N213 PolarHBondContact O-N 3.25Å
211R97.8Very high98.3Very high156 Ų15649 Ų4959%0.58924%0.238SC*.Hα-helixtrans-66.6-26.3-176.783.8179.7158.274.14.4112.7Y207 D208 N213Y207-R211 PolarHBondContact O-N 2.63Å; D208-R211 VanDerWaalsContact CG-NH2 3.29Å; D208-R211 PolarHBondContact O-N 3.19Å; D208-R211 IonicContact OD1-CZ 3.06Å; D208-R211 IonicContact OD1-NE 3.53Å; D208-R211 PolarHBondContact OD1-NE 3.37Å; D208-R211 IonicContact OD1-NH2 3.58Å; D208-R211 PolarHBondContact OD1-NH2 2.67Å; D208-R211 IonicContact OD2-NH2 3.58Å; R211-N213 VanDerWaalsContact C-N 3.33Å
212T97.3Very high98.2Very high70 Ų7047.9 Ų47.943%0.42923%0.232SC..THydrogen-bonded Turntrans-89.50.6176.556.90000112.9D208 L209 K210 T214D208-T212 WeakPolarHBondContact O-CB 3.46Å; D208-T212 WeakPolarHBondContact O-CG2 3.44Å; D208-T212 PolarHBondContact O-N 2.84Å; D208-T212 VanDerWaalsContact O-N 3.12Å; D208-T212 PolarHBondContact O-OG1 3.07Å; L209-T212 PolarHBondContact O-OG1 2.87Å; K210-T212 PolarHBondContact O-N 2.9Å; T212-T214 PolarHBondContact O-N 2.82Å; T212-T214 PolarHBondContact OG1-OG1 3.26Å
213N95.4Very high98.1Very high148 Ų14848.6 Ų48.679%0.79124%0.237SC*.THydrogen-bonded Turntrans52.535.2-173.5-163.843000112.8L209 K210 R211L209-N213 PolarHBondContact O-N 2.68Å; K210-N213 PolarHBondContact O-N 3.25Å; R211-N213 VanDerWaalsContact C-N 3.33Å
214T96.9Very high97.6Very high30 Ų3046.8 Ų46.818%0.18423%0.227CC..  trans-77.2125.2177.9-61.50000109.3I153 L209 T212 I216I153-T214 HydrophobicContact CD1-CG2 3.99Å; I153-T214 HydrophobicContact CG1-CG2 3.78Å; L209-T214 HydrophobicContact CD2-CG2 3.6Å; L209-T214 PolarHBondContact O-N 2.96Å; T212-T214 PolarHBondContact O-N 2.82Å; T212-T214 PolarHBondContact OG1-OG1 3.26Å; T214-I216 HydrophobicContact CG2-CB 4.24Å; T214-I216 HydrophobicContact CG2-CD1 3.63Å; T214-I216 HydrophobicContact CG2-CG1 3.85Å; T214-I216 PolarHBondContact O-N 2.92Å
215N97.3Very high97.1Very high12 Ų1244.9 Ų44.96%0.06422%0.219CC..SBendtrans-80.165.1-177.217746000111.8Q156 L169 P171 G172 R271Q156-N215 PolarHBondContact NE2-O 2.88Å; L169-N215 PolarHBondContact O-ND2 3.05Å; P171-N215 WeakPolarHBondContact CA-O 3.46Å; P171-N215 WeakPolarHBondContact CB-OD1 3.49Å; P171-N215 WeakPolarHBondContact CG-OD1 3.3Å; G172-N215 PolarHBondContact N-O 3.19Å; N215-R271 VanDerWaalsContact CG-NH2 3.27Å; N215-R271 PolarHBondContact ND2-NH1 3.16Å; N215-R271 VanDerWaalsContact ND2-NH1 3.16Å; N215-R271 PolarHBondContact OD1-NH1 2.95Å; N215-R271 PolarHBondContact OD1-NH2 3.38Å; N215-R271 VanDerWaalsContact OD1-NH2 3.17Å
216I98.6Very high96.8Very high0 Ų043.7 Ų43.70%021%0.213CC..EExtended strand (participates in β ladder)trans-138.2137.5177-62.3170.5000107.9T149 M152 I153 G172 I174 L209 T214T149-I216 HydrophobicContact CG2-CD1 3.94Å; M152-I216 HydrophobicContact CB-CD1 3.56Å; M152-I216 HydrophobicContact CB-CG1 4.05Å; M152-I216 HydrophobicContact CG-CD1 4.33Å; M152-I216 HydrophobicContact SD-CD1 3.83Å; M152-I216 HydrophobicContact SD-CG1 3.95Å; M152-I216 HydrophobicContact SD-CG2 3.97Å; I153-I216 HydrophobicContact CG1-CD1 4.24Å; G172-I216 CarbonylContact O-C 3.56Å; G172-I216 VanDerWaalsContact O-CA 3.32Å; G172-I216 WeakPolarHBondContact O-CA 3.49Å; I174-I216 HydrophobicContact CD1-CG2 4.27Å; I174-I216 HydrophobicContact CG1-CG2 4.34Å; L209-I216 HydrophobicContact CD1-CB 4.01Å; L209-I216 HydrophobicContact CD1-CG2 3.82Å; L209-I216 HydrophobicContact CD2-CB 4.11Å; L209-I216 HydrophobicContact CD2-CD1 4.26Å; T214-I216 HydrophobicContact CG2-CB 4.24Å; T214-I216 HydrophobicContact CG2-CD1 3.63Å; T214-I216 HydrophobicContact CG2-CG1 3.85Å; T214-I216 PolarHBondContact O-N 2.92Å
217C98.7Very high96.3Very high0 Ų044.8 Ų44.80%022%0.217CC..EExtended strand (participates in β ladder)trans-105.1131.9169.7-178.70000109.4G172 L173 I174 L274 L275G172-C217 PolarHBondContact O-N 3.14Å; L173-C217 WeakPolarHBondContact CA-O 3.23Å; L173-C217 HydrophobicContact CD1-CB 4.34Å; I174-C217 PolarHBondContact N-O 2.94Å; C217-L274 HydrophobicContact CB-CD1 4.08Å; C217-L274 HydrophobicContact CB-CG 4.2Å; C217-L274 PolarHBondContact SG-O 3.12Å; C217-L275 HydrophobicContact CB-CD2 4.39Å
218I98.9Very high95.8Very high1 Ų138.2 Ų38.21%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-123133.3170.2-173.4169000110.2I174 T202 M205 A206 L209 N278 G279I174-I218 HydrophobicContact CB-CB 4.09Å; I174-I218 HydrophobicContact CB-CD1 4.01Å; I174-I218 HydrophobicContact CB-CG1 3.79Å; I174-I218 HydrophobicContact CG2-CD1 3.69Å; I174-I218 HydrophobicContact CG2-CG1 3.83Å; I174-I218 VanDerWaalsContact O-CA 3.28Å; I174-I218 WeakPolarHBondContact O-CA 3.1Å; T202-I218 HydrophobicContact CG2-CG1 3.95Å; M205-I218 HydrophobicContact CB-CD1 4.12Å; M205-I218 HydrophobicContact CB-CG2 4.26Å; M205-I218 HydrophobicContact SD-CD1 3.69Å; A206-I218 HydrophobicContact CB-CG2 3.73Å; L209-I218 HydrophobicContact CD1-CB 4.28Å; L209-I218 HydrophobicContact CD1-CG2 3.76Å; I218-N278 WeakPolarHBondContact CG2-OD1 3.2Å; I218-N278 PolarHBondContact N-OD1 3.48Å; I218-N278 PolarHBondContact O-OD1 3.03Å; I218-G279 PolarHBondContact O-N 3.18Å
219F98.9Very high95.3Very high0 Ų037.4 Ų37.40%019%0.187CC..EExtended strand (participates in β ladder)trans-146.1157.9175.266.1-103.7000112.7L173 I174 V175 N176 T202 L221 I266 Q280 I282L173-F219 HydrophobicContact CD1-CD1 3.89Å; L173-F219 HydrophobicContact CD1-CE1 3.44Å; L173-F219 VanDerWaalsContact CD1-CE1 3.44Å; L173-F219 HydrophobicContact CD1-CZ 4.33Å; I174-F219 PolarHBondContact O-N 3.33Å; I174-F219 VanDerWaalsContact O-N 3.1Å; V175-F219 HydrophobicContact CB-CE2 4.39Å; V175-F219 HydrophobicContact CB-CZ 4.48Å; V175-F219 HydrophobicContact CG1-CD2 4.27Å; V175-F219 HydrophobicContact CG1-CE2 3.66Å; V175-F219 HydrophobicContact CG1-CZ 4.13Å; V175-F219 HydrophobicContact CG2-CE1 4.1Å; V175-F219 HydrophobicContact CG2-CE2 4.05Å; V175-F219 HydrophobicContact CG2-CZ 3.66Å; N176-F219 PolarHBondContact N-O 3.21Å; T202-F219 VanDerWaalsContact CG2-CA 3.46Å; F219-L221 HydrophobicContact CD2-CB 4.45Å; F219-L221 HydrophobicContact CE2-CB 4.09Å; F219-L221 HydrophobicContact CE2-CD1 4.32Å; F219-I266 HydrophobicContact CE1-CB 4.49Å; F219-I266 HydrophobicContact CE1-CD1 4.1Å; F219-I266 HydrophobicContact CE1-CG2 3.68Å; F219-I266 HydrophobicContact CE2-CD1 4.18Å; F219-I266 HydrophobicContact CZ-CB 4.49Å; F219-I266 HydrophobicContact CZ-CD1 3.61Å; F219-I266 HydrophobicContact CZ-CG2 4.15Å; F219-Q280 WeakPolarHBondContact CB-O 3.2Å; F219-I282 HydrophobicContact CB-CD1 4.21Å; F219-I282 HydrophobicContact CD1-CD1 4.17Å; F219-I282 HydrophobicContact CD2-CB 4.38Å; F219-I282 HydrophobicContact CD2-CD1 3.83Å; F219-I282 HydrophobicContact CD2-CG1 4.31Å; F219-I282 HydrophobicContact CE1-CD1 4.48Å; F219-I282 HydrophobicContact CE2-CD1 4.2Å; F219-I282 HydrophobicContact CG-CD1 3.83Å
220S98.8Very high94.7Very high0 Ų038 Ų380%019%0.191CC..EExtended strand (participates in β ladder)trans-89.8126.8170.3-81.70000109.3N176 D199 T202 Q280 V281 I282N176-S220 CarbonylContact O-C 3.48Å; N176-S220 WeakPolarHBondContact O-CA 3.37Å; D199-S220 WeakPolarHBondContact OD1-CB 3.37Å; D199-S220 PolarHBondContact OD1-OG 2.93Å; T202-S220 PolarHBondContact OG1-OG 2.99Å; S220-Q280 PolarHBondContact N-O 3.23Å; S220-V281 WeakPolarHBondContact O-CA 3.5Å; S220-I282 PolarHBondContact O-N 3.37Å
221L98.7Very high94Very high0 Ų030.7 Ų30.70%016%0.16CC..EExtended strand (participates in β ladder)trans-100131171.6-171.266.5000109.4V175 N176 I177 S178 F219 P223 V262 I263 I282V175-L221 HydrophobicContact CG1-CB 3.84Å; V175-L221 HydrophobicContact CG1-CD2 4.44Å; N176-L221 PolarHBondContact O-N 3.42Å; I177-L221 HydrophobicContact CD1-CB 4.08Å; I177-L221 HydrophobicContact CD1-CD2 3.96Å; S178-L221 PolarHBondContact N-O 3.48Å; F219-L221 HydrophobicContact CD2-CB 4.45Å; F219-L221 HydrophobicContact CE2-CB 4.09Å; F219-L221 HydrophobicContact CE2-CD1 4.32Å; L221-P223 WeakPolarHBondContact O-CD 3.33Å; L221-V262 HydrophobicContact CD1-CG1 3.86Å; L221-I263 HydrophobicContact CD2-CD1 4.14Å; L221-I263 HydrophobicContact CD2-CG1 4.05Å; L221-I282 CarbonylContact C-O 3.48Å; L221-I282 WeakPolarHBondContact CA-O 3.28Å; L221-I282 HydrophobicContact CD1-CB 4.36Å; L221-I282 HydrophobicContact CD1-CG2 4.12Å
222W97.2Very high93.4Very high5 Ų525.8 Ų25.82%0.01915%0.148CC..EExtended strand (participates in β ladder)trans-108.8101.4172.8-72.513.4000109.6S178 S179 I180 A182 R183 D199 V281 I282 L283 T284 L330S178-W222 PolarHBondContact OG-NE1 2.74Å; S179-W222 VanDerWaalsContact O-CE2 3.3Å; S179-W222 PolarHBondContact O-NE1 3.34Å; I180-W222 HydrophobicContact CB-CE3 4.16Å; I180-W222 HydrophobicContact CB-CZ3 4.34Å; I180-W222 HydrophobicContact CG1-CE3 4.37Å; I180-W222 HydrophobicContact CG1-CZ3 4.13Å; A182-W222 HydrophobicContact CB-CZ2 3.89Å; R183-W222 HydrophobicContact CB-CH2 4.31Å; R183-W222 HydrophobicContact CG-CH2 3.33Å; R183-W222 HydrophobicContact CG-CZ2 3.93Å; R183-W222 HydrophobicContact CG-CZ3 4.29Å; D199-W222 WeakPolarHBondContact OD2-CZ2 3.34Å; D199-W222 PolarHBondContact OD2-NE1 3.47Å; W222-V281 HydrophobicContact CD2-CG1 3.57Å; W222-V281 HydrophobicContact CE3-CG1 4.13Å; W222-V281 HydrophobicContact CG-CG1 3.92Å; W222-V281 HydrophobicContact CH2-CG1 3.96Å; W222-V281 HydrophobicContact CZ2-CG1 3.5Å; W222-V281 HydrophobicContact CZ2-CG2 4.36Å; W222-V281 HydrophobicContact CZ3-CG1 4.31Å; W222-I282 PolarHBondContact N-O 3.24Å; W222-L283 HydrophobicContact CB-CD1 4.45Å; W222-L283 HydrophobicContact CB-CG 4.33Å; W222-L283 HydrophobicContact CE3-CD1 3.96Å; W222-L283 HydrophobicContact CE3-CG 4.45Å; W222-L283 HydrophobicContact CZ3-CD1 4.49Å; W222-T284 PolarHBondContact O-N 3.47Å; W222-T284 PolarHBondContact O-OG1 3Å; W222-L330 HydrophobicContact CH2-CD2 4.03Å; W222-L330 HydrophobicContact CZ3-CD1 4.07Å; W222-L330 HydrophobicContact CZ3-CD2 3.79Å; W222-L330 HydrophobicContact CZ3-CG 4.31Å
223P95.7Very high92.7Very high15 Ų1526.1 Ų26.110%0.09716%0.157CC..  trans-64.4154.5163.5-18.633000111.5I19 I177 L221 V226 T284I19-P223 HydrophobicContact CD1-CB 4.38Å; I19-P223 HydrophobicContact CD1-CG 4.17Å; I177-P223 HydrophobicContact CG2-CG 3.97Å; L221-P223 WeakPolarHBondContact O-CD 3.33Å; P223-V226 HydrophobicContact CB-CG2 3.74Å; P223-T284 WeakPolarHBondContact CA-OG1 3.39Å
224G89.7Confident92Very high14 Ų1423.7 Ų23.714%0.14414%0.141CC..  trans-72.7-168.7161.400000111.7V226 E254G224-V226 VanDerWaalsContact O-CG2 3.25Å; G224-V226 WeakPolarHBondContact O-CG2 3.45Å; G224-V226 PolarHBondContact O-N 3.39Å; G224-E254 PolarHBondContact N-OE1 2.68Å; G224-E254 VanDerWaalsContact N-OE1 3.15Å; G224-E254 PolarHBondContact N-OE2 3.06Å
225P88.5Confident91.1Very high38 Ų3822.9 Ų22.925%0.24714%0.138CC..SBendtrans-59.8122.7167.3-18.731.8000109.1F248 A253 E254P225-F248 HydrophobicContact CB-CD2 4.06Å; P225-A253 CarbonylContact O-C 3.47Å; P225-A253 VanDerWaalsContact O-CA 3.27Å; P225-A253 WeakPolarHBondContact O-CA 3.48Å; P225-A253 VanDerWaalsContact O-CB 3.24Å; P225-A253 WeakPolarHBondContact O-CB 3.44Å; P225-E254 PolarHBondContact O-N 2.96Å
226V91.1Very high89.9Confident9 Ų929.6 Ų29.66%0.05517%0.172CC..BIsolated β-bridgetrans-109.1137.1-174.6-173.70000110.8I19 P223 G224 T228 F248 E254 P256I19-V226 HydrophobicContact CD1-CB 4.2Å; I19-V226 HydrophobicContact CD1-CG2 3.74Å; I19-V226 HydrophobicContact CG1-CB 4.02Å; I19-V226 HydrophobicContact CG1-CG1 3.83Å; I19-V226 HydrophobicContact CG1-CG2 3.85Å; P223-V226 HydrophobicContact CB-CG2 3.74Å; G224-V226 VanDerWaalsContact O-CG2 3.25Å; G224-V226 WeakPolarHBondContact O-CG2 3.45Å; G224-V226 PolarHBondContact O-N 3.39Å; V226-T228 HydrophobicContact CB-CG2 4.08Å; V226-T228 HydrophobicContact CG1-CG2 3.95Å; V226-T228 PolarHBondContact O-N 2.93Å; V226-F248 WeakPolarHBondContact O-CE2 3.38Å; V226-E254 CarbonylContact C-O 3.5Å; V226-E254 WeakPolarHBondContact CA-O 3.38Å; V226-E254 HydrophobicContact CG2-CB 4.33Å; V226-P256 HydrophobicContact CG1-CB 4.36Å; V226-P256 HydrophobicContact CG1-CG 4.12Å
227R88.8Confident88.7Confident29 Ų2933.4 Ų33.411%0.10921%0.212CC..  trans-69.963.4172.5-65.8-171-77.6-81.7-13.5111.7V232 F248 Y250 A253 E254 P256 E295R227-V232 HydrophobicContact CB-CG2 4.04Å; R227-F248 HydrophobicContact CB-CE2 4.43Å; R227-F248 HydrophobicContact CB-CZ 4.35Å; R227-F248 HydrophobicContact CG-CE2 4Å; R227-F248 HydrophobicContact CG-CZ 3.84Å; R227-Y250 WeakPolarHBondContact CD-O 3.28Å; R227-Y250 HydrophobicContact CG-CD2 4.15Å; R227-Y250 HydrophobicContact CG-CE2 4.26Å; R227-Y250 PolarHBondContact NH1-O 3.38Å; R227-A253 HydrophobicContact CG-CB 3.66Å; R227-A253 VanDerWaalsContact CZ-O 3.24Å; R227-A253 PolarHBondContact NH1-O 3.17Å; R227-A253 PolarHBondContact NH2-O 2.93Å; R227-E254 PolarHBondContact N-O 3.12Å; R227-P256 VanDerWaalsContact O-CG 3.27Å; R227-P256 WeakPolarHBondContact O-CG 3.14Å; R227-E295 IonicContact NH2-OE2 3.19Å
228T88.2Confident87.6Confident22 Ų2234.8 Ų34.814%0.13523%0.225CC..  trans-77.2150.6171.768.10000110I19 V226 T230 V231 V232I19-T228 HydrophobicContact CG1-CG2 4.22Å; V226-T228 HydrophobicContact CB-CG2 4.08Å; V226-T228 HydrophobicContact CG1-CG2 3.95Å; V226-T228 PolarHBondContact O-N 2.93Å; T228-T230 PolarHBondContact O-N 2.87Å; T228-V231 PolarHBondContact O-N 3.42Å; T228-V231 WeakPolarHBondContact OG1-CB 3.35Å; T228-V231 VanDerWaalsContact OG1-CG2 3.26Å; T228-V231 WeakPolarHBondContact OG1-CG2 3.37Å; T228-V231 PolarHBondContact OG1-N 3.01Å; T228-V232 WeakPolarHBondContact O-CB 3.48Å; T228-V232 VanDerWaalsContact O-CG2 3.3Å; T228-V232 WeakPolarHBondContact O-CG2 3.42Å; T228-V232 PolarHBondContact O-N 3.15Å
229E89Confident86.4Confident58 Ų5838.3 Ų38.327%0.27125%0.247SC..Hα-helixtrans-52.4-43.2-179.2-59.887.315600111.1G18 V48 A233G18-E229 WeakPolarHBondContact CA-OE2 3.3Å; G18-E229 PolarHBondContact N-OE1 3.4Å; G18-E229 PolarHBondContact N-OE2 3.49Å; V48-E229 HydrophobicContact CG1-CB 4.13Å; E229-A233 WeakPolarHBondContact O-CB 3.41Å; E229-A233 PolarHBondContact O-N 3.39Å
230T84.5Confident85.4Confident23 Ų2339.8 Ų39.814%0.14126%0.255CS..Hα-helixtrans-66-45.2177-53.90000112.8V107 L111 T228 A233 E234V107-T230 HydrophobicContact CG1-CG2 3.78Å; L111-T230 HydrophobicContact CD1-CG2 4.27Å; T228-T230 PolarHBondContact O-N 2.87Å; T230-A233 PolarHBondContact O-N 3.01Å; T230-E234 WeakPolarHBondContact O-CG 3.47Å; T230-E234 PolarHBondContact O-N 2.94Å
231V83.5Confident84.2Confident14 Ų1446.8 Ų46.89%0.08529%0.286CS..Hα-helixtrans-68.6-38-179.8170.20000111.2T228 E234 A235 L240 F248T228-V231 PolarHBondContact O-N 3.42Å; T228-V231 WeakPolarHBondContact OG1-CB 3.35Å; T228-V231 VanDerWaalsContact OG1-CG2 3.26Å; T228-V231 WeakPolarHBondContact OG1-CG2 3.37Å; T228-V231 PolarHBondContact OG1-N 3.01Å; V231-E234 PolarHBondContact O-N 2.86Å; V231-A235 WeakPolarHBondContact O-CB 3.27Å; V231-A235 PolarHBondContact O-N 2.79Å; V231-A235 VanDerWaalsContact O-N 3.1Å; V231-L240 HydrophobicContact CG1-CD2 4.1Å; V231-F248 HydrophobicContact CG1-CB 4.19Å; V231-F248 HydrophobicContact CG1-CD1 3.84Å; V231-F248 HydrophobicContact CG1-CD2 3.5Å; V231-F248 HydrophobicContact CG1-CE1 4.01Å; V231-F248 HydrophobicContact CG1-CE2 3.68Å; V231-F248 HydrophobicContact CG1-CG 3.57Å; V231-F248 HydrophobicContact CG1-CZ 3.92Å
232V85.5Confident82.8Confident53 Ų5347.6 Ų47.632%0.32129%0.29SS..Hα-helixtrans-66.6-40.8177.61730000111R227 T228 E234 A235 F248 Y250R227-V232 HydrophobicContact CB-CG2 4.04Å; T228-V232 WeakPolarHBondContact O-CB 3.48Å; T228-V232 VanDerWaalsContact O-CG2 3.3Å; T228-V232 WeakPolarHBondContact O-CG2 3.42Å; T228-V232 PolarHBondContact O-N 3.15Å; V232-E234 VanDerWaalsContact C-N 3.26Å; V232-E234 PolarHBondContact O-N 3.06Å; V232-A235 PolarHBondContact O-N 3.21Å; V232-F248 HydrophobicContact CG2-CZ 4.06Å; V232-Y250 HydrophobicContact CG1-CD2 4.29Å; V232-Y250 HydrophobicContact CG1-CE2 4.03Å; V232-Y250 HydrophobicContact CG2-CD2 3.97Å; V232-Y250 HydrophobicContact CG2-CE2 3.89Å
233A83.1Confident81.4Confident77 Ų7747.5 Ų47.564%0.63629%0.291SS*.Hα-helixtrans-62.5-32.9177.400000113.1E229 T230E229-A233 WeakPolarHBondContact O-CB 3.41Å; E229-A233 PolarHBondContact O-N 3.39Å; T230-A233 PolarHBondContact O-N 3.01Å
234E79.9Confident79.9Confident97 Ų9753.9 Ų53.945%0.45332%0.319SS..Hα-helixtrans-87-14.3179.5-65.4-71.3160.400112.9L111 T230 V231 V232 I236 L240L111-E234 HydrophobicContact CD1-CB 4.5Å; L111-E234 HydrophobicContact CD1-CG 4Å; T230-E234 WeakPolarHBondContact O-CG 3.47Å; T230-E234 PolarHBondContact O-N 2.94Å; V231-E234 PolarHBondContact O-N 2.86Å; V232-E234 VanDerWaalsContact C-N 3.26Å; V232-E234 PolarHBondContact O-N 3.06Å; E234-I236 PolarHBondContact O-N 3.05Å; E234-L240 HydrophobicContact CB-CD1 4.32Å; E234-L240 HydrophobicContact CB-CD2 3.84Å
235A78.4Confident78.7Confident13 Ų1356.2 Ų56.211%0.10733%0.325CS..  trans-8185.2-175.800000112.9V231 V232 G237 G238 T239 L240 F248V231-A235 WeakPolarHBondContact O-CB 3.27Å; V231-A235 PolarHBondContact O-N 2.79Å; V231-A235 VanDerWaalsContact O-N 3.1Å; V232-A235 PolarHBondContact O-N 3.21Å; A235-G237 PolarHBondContact O-N 3.46Å; A235-G238 PolarHBondContact O-N 3.05Å; A235-G238 VanDerWaalsContact O-N 3.12Å; A235-T239 WeakPolarHBondContact CA-O 3.38Å; A235-L240 HydrophobicContact CB-CB 3.95Å; A235-F248 HydrophobicContact CB-CD1 3.94Å; A235-F248 HydrophobicContact CB-CE1 3.87Å
236I71.7Confident77.7Confident153 Ų15355.8 Ų55.879%0.78532%0.321SS*.G310 helixtrans-60.6125173.5-57174.3000110E234 G238 T239E234-I236 PolarHBondContact O-N 3.05Å; I236-G238 PolarHBondContact O-N 3.27Å; I236-T239 PolarHBondContact O-N 3.12Å; I236-T239 VanDerWaalsContact O-O 3.14Å
237G74.8Confident76.8Confident81 Ų8158.4 Ų58.484%0.83534%0.343SS*.G310 helixtrans66.418.5-178.700000114.5A235 T239A235-G237 PolarHBondContact O-N 3.46Å; G237-T239 VanDerWaalsContact C-N 3.33Å
238G75.7Confident76.3Confident28 Ų2857 Ų5729%0.28934%0.338SS..G310 helixtrans83.15.8179.800000114.6A235 I236 Y250A235-G238 PolarHBondContact O-N 3.05Å; A235-G238 VanDerWaalsContact O-N 3.12Å; I236-G238 PolarHBondContact O-N 3.27Å; G238-Y250 PolarHBondContact O-N 2.83Å
239T73.7Confident76.1Confident75 Ų7558.7 Ų58.746%0.4635%0.346SS..EExtended strand (participates in β ladder)trans-127.2142.3177.159.60000111.9A235 I236 G237 F248 N249A235-T239 WeakPolarHBondContact CA-O 3.38Å; I236-T239 PolarHBondContact O-N 3.12Å; I236-T239 VanDerWaalsContact O-O 3.14Å; G237-T239 VanDerWaalsContact C-N 3.33Å; T239-F248 VanDerWaalsContact CA-O 3.25Å; T239-F248 WeakPolarHBondContact CA-O 3.33Å; T239-N249 HydrophobicContact CG2-CB 4.48Å
240L76.5Confident75.8Confident31 Ų3161.1 Ų61.116%0.16235%0.353CS..EExtended strand (participates in β ladder)trans-138.9131.5174.6-179.463.9000109.5L111 V231 E234 A235 L242 A247 F248L111-L240 HydrophobicContact CD2-CD2 4.08Å; V231-L240 HydrophobicContact CG1-CD2 4.1Å; E234-L240 HydrophobicContact CB-CD1 4.32Å; E234-L240 HydrophobicContact CB-CD2 3.84Å; A235-L240 HydrophobicContact CB-CB 3.95Å; L240-L242 HydrophobicContact CD2-CD2 3.96Å; L240-L242 HydrophobicContact CG-CD2 4.33Å; L240-L242 PolarHBondContact O-N 3.01Å; L240-A247 CarbonylContact O-C 3.53Å; L240-A247 WeakPolarHBondContact O-CA 3.26Å; L240-F248 HydrophobicContact CB-CB 4.15Å; L240-F248 HydrophobicContact CB-CD1 4.31Å; L240-F248 PolarHBondContact N-O 3.32Å; L240-F248 PolarHBondContact O-N 2.93Å
241K73.5Confident75.7Confident148 Ų14865.3 Ų65.364%0.64338%0.375SS*.EExtended strand (participates in β ladder)trans-74.2118.7170.3-71.6-173.2178.6-177.70109.2
242L71Confident75.8Confident16 Ų1667.8 Ų67.88%0.08439%0.39CS..SBendtrans-101.967.4173.6-63.7174.1000108.1L111 F186 F187 L240 I246 F248L111-L242 HydrophobicContact CD2-CD2 4.07Å; F186-L242 HydrophobicContact CE1-CB 4.33Å; F186-L242 HydrophobicContact CE2-CB 4.4Å; F186-L242 WeakPolarHBondContact CE2-O 3.25Å; F186-L242 HydrophobicContact CZ-CB 3.68Å; F186-L242 WeakPolarHBondContact CZ-O 3.48Å; F187-L242 HydrophobicContact CE1-CD2 4.3Å; F187-L242 HydrophobicContact CZ-CB 4.38Å; F187-L242 HydrophobicContact CZ-CD2 3.93Å; L240-L242 HydrophobicContact CD2-CD2 3.96Å; L240-L242 HydrophobicContact CG-CD2 4.33Å; L240-L242 PolarHBondContact O-N 3.01Å; L242-I246 CarbonylContact C-O 3.52Å; L242-I246 WeakPolarHBondContact CA-O 3.43Å; L242-I246 HydrophobicContact CB-CG2 4.41Å; L242-I246 PolarHBondContact N-O 2.74Å; L242-F248 HydrophobicContact CD1-CB 3.78Å; L242-F248 HydrophobicContact CG-CB 4.13Å
243G66.5Low76Confident4 Ų465.4 Ų65.44%0.04138%0.376CS..SBendtrans89.6-173.8-169.600000113.1K245G243-K245 VanDerWaalsContact C-N 3.32Å; G243-K245 PolarHBondContact O-N 3.31Å
244E65Low76.5Confident149 Ų14962.2 Ų62.270%0.69635%0.348SS*.SBendtrans-60.3-37.5-170.5-68-179.6160.400113.8
245K63.9Low77.2Confident62 Ų6257.6 Ų57.627%0.2733%0.326SS..SBendtrans-120.8-14-161.3-58.1172.8-166.9-1430114.7G243 L337 R338 Q340G243-K245 VanDerWaalsContact C-N 3.32Å; G243-K245 PolarHBondContact O-N 3.31Å; K245-L337 WeakPolarHBondContact CD-O 3.18Å; K245-R338 PolarHBondContact NZ-O 3.09Å; K245-Q340 HydrophobicContact CD-CB 3.93Å; K245-Q340 WeakPolarHBondContact CD-OXT 3.49Å; K245-Q340 WeakPolarHBondContact CE-OXT 3.14Å; K245-Q340 HydrophobicContact CG-CB 4.18Å; K245-Q340 VanDerWaalsContact CG-OXT 3.22Å; K245-Q340 WeakPolarHBondContact CG-OXT 3.29Å; K245-Q340 PolarHBondContact NZ-O 2.86Å; K245-Q340 PolarHBondContact NZ-OXT 3.41Å
246I68.5Low78Confident30 Ų3057.7 Ų57.715%0.15433%0.326CS..  trans-113122.2-176.7-68.4175.1000107.9I180 I184 F186 L242I180-I246 HydrophobicContact CG2-CD1 4Å; I184-I246 HydrophobicContact CD1-CD1 3.83Å; F186-I246 HydrophobicContact CD2-CD1 3.77Å; F186-I246 HydrophobicContact CE2-CB 3.72Å; F186-I246 HydrophobicContact CE2-CD1 3.4Å; F186-I246 HydrophobicContact CE2-CG1 4.03Å; F186-I246 HydrophobicContact CE2-CG2 3.91Å; F186-I246 HydrophobicContact CZ-CG2 4.31Å; L242-I246 CarbonylContact C-O 3.52Å; L242-I246 WeakPolarHBondContact CA-O 3.43Å; L242-I246 HydrophobicContact CB-CG2 4.41Å; L242-I246 PolarHBondContact N-O 2.74Å
247A70.9Confident79.2Confident63 Ų6351.9 Ų51.952%0.52130%0.295SS..EExtended strand (participates in β ladder)trans-106.1131.6172.600000109.3L240L240-A247 CarbonylContact O-C 3.53Å; L240-A247 WeakPolarHBondContact O-CA 3.26Å
248F79.5Confident80.4Confident0 Ų048 Ų480%026%0.256CS..EExtended strand (participates in β ladder)trans-70.7132.5157.1173-93.7000108.6P225 V226 R227 V231 V232 A235 T239 L240 L242 Y250 A253P225-F248 HydrophobicContact CB-CD2 4.06Å; V226-F248 WeakPolarHBondContact O-CE2 3.38Å; R227-F248 HydrophobicContact CB-CE2 4.43Å; R227-F248 HydrophobicContact CB-CZ 4.35Å; R227-F248 HydrophobicContact CG-CE2 4Å; R227-F248 HydrophobicContact CG-CZ 3.84Å; V231-F248 HydrophobicContact CG1-CB 4.19Å; V231-F248 HydrophobicContact CG1-CD1 3.84Å; V231-F248 HydrophobicContact CG1-CD2 3.5Å; V231-F248 HydrophobicContact CG1-CE1 4.01Å; V231-F248 HydrophobicContact CG1-CE2 3.68Å; V231-F248 HydrophobicContact CG1-CG 3.57Å; V231-F248 HydrophobicContact CG1-CZ 3.92Å; V232-F248 HydrophobicContact CG2-CZ 4.06Å; A235-F248 HydrophobicContact CB-CD1 3.94Å; A235-F248 HydrophobicContact CB-CE1 3.87Å; T239-F248 VanDerWaalsContact CA-O 3.25Å; T239-F248 WeakPolarHBondContact CA-O 3.33Å; L240-F248 HydrophobicContact CB-CB 4.15Å; L240-F248 HydrophobicContact CB-CD1 4.31Å; L240-F248 PolarHBondContact N-O 3.32Å; L240-F248 PolarHBondContact O-N 2.93Å; L242-F248 HydrophobicContact CD1-CB 3.78Å; L242-F248 HydrophobicContact CG-CB 4.13Å; F248-Y250 HydrophobicContact CE1-CD2 4.49Å; F248-Y250 HydrophobicContact CZ-CD2 4.3Å; F248-A253 HydrophobicContact CD2-CB 3.76Å; F248-A253 HydrophobicContact CE2-CB 3.31Å; F248-A253 HydrophobicContact CZ-CB 4.05Å
249N82.6Confident81.4Confident57 Ų5746.7 Ų46.731%0.30524%0.242SC..EExtended strand (participates in β ladder)trans-128.8122.6167.6174.2-39.9000106.9T239 D251 T252 A253T239-N249 HydrophobicContact CG2-CB 4.48Å; N249-D251 VanDerWaalsContact C-N 3.26Å; N249-D251 PolarHBondContact O-N 3.5Å; N249-D251 WeakPolarHBondContact OD1-CB 3.38Å; N249-D251 PolarHBondContact OD1-N 3.02Å; N249-T252 WeakPolarHBondContact CB-OG1 3.33Å; N249-T252 PolarHBondContact O-N 3.26Å; N249-T252 VanDerWaalsContact O-N 3.16Å; N249-T252 PolarHBondContact O-OG1 3.02Å; N249-A253 WeakPolarHBondContact O-CB 3.19Å; N249-A253 PolarHBondContact O-N 2.8Å
250Y82.5Confident82.6Confident110 Ų11043.1 Ų43.143%0.43122%0.22SC..THydrogen-bonded Turntrans-53.2-43.7-174.5-175.2-88.4000112.7R227 V232 G238 F248 T252R227-Y250 WeakPolarHBondContact CD-O 3.28Å; R227-Y250 HydrophobicContact CG-CD2 4.15Å; R227-Y250 HydrophobicContact CG-CE2 4.26Å; R227-Y250 PolarHBondContact NH1-O 3.38Å; V232-Y250 HydrophobicContact CG1-CD2 4.29Å; V232-Y250 HydrophobicContact CG1-CE2 4.03Å; V232-Y250 HydrophobicContact CG2-CD2 3.97Å; V232-Y250 HydrophobicContact CG2-CE2 3.89Å; G238-Y250 PolarHBondContact O-N 2.83Å; F248-Y250 HydrophobicContact CE1-CD2 4.49Å; F248-Y250 HydrophobicContact CZ-CD2 4.3Å; Y250-T252 VanDerWaalsContact C-N 3.28Å; Y250-T252 PolarHBondContact O-N 3Å
251D83Confident83.6Confident111 Ų11143.9 Ų43.959%0.59422%0.222SC*.THydrogen-bonded Turntrans-67.9-31-174.8-62.9-32.2000111.9N249 R299N249-D251 VanDerWaalsContact C-N 3.26Å; N249-D251 PolarHBondContact O-N 3.5Å; N249-D251 WeakPolarHBondContact OD1-CB 3.38Å; N249-D251 PolarHBondContact OD1-N 3.02Å; D251-R299 PolarHBondContact O-NH1 2.77Å; D251-R299 PolarHBondContact O-NH2 3.48Å; D251-R299 VanDerWaalsContact O-NH2 3.11Å
252T85Confident84.8Confident65 Ų6536.8 Ų36.840%0.39919%0.191SC..THydrogen-bonded Turntrans-105.3-14.3-174.8610000114.5N249 Y250 I302N249-T252 WeakPolarHBondContact CB-OG1 3.33Å; N249-T252 PolarHBondContact O-N 3.26Å; N249-T252 VanDerWaalsContact O-N 3.16Å; N249-T252 PolarHBondContact O-OG1 3.02Å; Y250-T252 VanDerWaalsContact C-N 3.28Å; Y250-T252 PolarHBondContact O-N 3Å; T252-I302 HydrophobicContact CG2-CD1 3.76Å
253A89.9Confident86.1Confident4 Ų436 Ų363%0.03319%0.187CC..SBendtrans-61.5157.2177.600000112.3P225 R227 F248 N249P225-A253 CarbonylContact O-C 3.47Å; P225-A253 VanDerWaalsContact O-CA 3.27Å; P225-A253 WeakPolarHBondContact O-CA 3.48Å; P225-A253 VanDerWaalsContact O-CB 3.24Å; P225-A253 WeakPolarHBondContact O-CB 3.44Å; R227-A253 HydrophobicContact CG-CB 3.66Å; R227-A253 VanDerWaalsContact CZ-O 3.24Å; R227-A253 PolarHBondContact NH1-O 3.17Å; R227-A253 PolarHBondContact NH2-O 2.93Å; F248-A253 HydrophobicContact CD2-CB 3.76Å; F248-A253 HydrophobicContact CE2-CB 3.31Å; F248-A253 HydrophobicContact CZ-CB 4.05Å; N249-A253 WeakPolarHBondContact O-CB 3.19Å; N249-A253 PolarHBondContact O-N 2.8Å
254E94.1Very high87.6Confident9 Ų936.5 Ų36.54%0.04219%0.189CC..BIsolated β-bridgetrans-75149175.9-62.2178.5174.700110.6G224 P225 V226 R227 L258 E295G224-E254 PolarHBondContact N-OE1 2.68Å; G224-E254 VanDerWaalsContact N-OE1 3.15Å; G224-E254 PolarHBondContact N-OE2 3.06Å; P225-E254 PolarHBondContact O-N 2.96Å; V226-E254 CarbonylContact C-O 3.5Å; V226-E254 WeakPolarHBondContact CA-O 3.38Å; V226-E254 HydrophobicContact CG2-CB 4.33Å; R227-E254 PolarHBondContact N-O 3.12Å; E254-L258 HydrophobicContact CB-CD2 4.09Å; E254-L258 HydrophobicContact CG-CD2 3.78Å; E254-E295 WeakPolarHBondContact CA-OE1 3.25Å
255S95.4Very high89.2Confident0 Ų030.7 Ų30.70%016%0.163CC..PPolyproline II helixtrans-72.4150.9166.2630000110.9Q257 L258 E295S255-Q257 PolarHBondContact O-N 3.36Å; S255-L258 PolarHBondContact O-N 3.12Å; S255-L258 VanDerWaalsContact O-N 3.12Å; S255-L258 PolarHBondContact OG-N 3.2Å; S255-E295 WeakPolarHBondContact CB-OE2 3.42Å; S255-E295 PolarHBondContact N-OE1 2.68Å; S255-E295 PolarHBondContact N-OE2 2.81Å; S255-E295 PolarHBondContact OG-OE2 3.2Å
256P95.3Very high90.8Very high16 Ų1627.7 Ų27.710%0.10415%0.151CC..THydrogen-bonded Turntrans-52.5-27.4172.1-28.836.3000114.6G18 G22 V226 R227G18-P256 WeakPolarHBondContact O-CB 3.43Å; G22-P256 WeakPolarHBondContact CA-O 3.36Å; V226-P256 HydrophobicContact CG1-CB 4.36Å; V226-P256 HydrophobicContact CG1-CG 4.12Å; R227-P256 VanDerWaalsContact O-CG 3.27Å; R227-P256 WeakPolarHBondContact O-CG 3.14Å
257Q96.9Very high92.2Very high30 Ų3026.8 Ų26.814%0.1415%0.148CC..THydrogen-bonded Turntrans-79.1-23.3-177.7-66.182.2-5.600113.5E26 S255 S259 G260 K261 I296E26-Q257 HydrophobicContact CG-CB 3.88Å; E26-Q257 HydrophobicContact CG-CG 4.31Å; E26-Q257 WeakPolarHBondContact CG-O 3.44Å; E26-Q257 WeakPolarHBondContact OE1-CB 3.27Å; S255-Q257 PolarHBondContact O-N 3.36Å; Q257-S259 VanDerWaalsContact C-N 3.31Å; Q257-S259 PolarHBondContact O-N 2.93Å; Q257-G260 WeakPolarHBondContact O-CA 3.47Å; Q257-G260 PolarHBondContact O-N 2.99Å; Q257-K261 PolarHBondContact O-N 3.39Å; Q257-K261 VanDerWaalsContact O-N 3.09Å; Q257-I296 HydrophobicContact CB-CG2 3.88Å; Q257-I296 HydrophobicContact CG-CG2 4.12Å
258L98Very high93.5Very high0 Ų027 Ų270%014%0.14CC..Hα-helixtrans-59-42.6-172.6-176.468.5000112.2E254 S255 G260 K261 V262 T284 A288 I293 E295 P301E254-L258 HydrophobicContact CB-CD2 4.09Å; E254-L258 HydrophobicContact CG-CD2 3.78Å; S255-L258 PolarHBondContact O-N 3.12Å; S255-L258 VanDerWaalsContact O-N 3.12Å; S255-L258 PolarHBondContact OG-N 3.2Å; L258-G260 PolarHBondContact O-N 3.17Å; L258-K261 PolarHBondContact O-N 3.31Å; L258-V262 PolarHBondContact O-N 3.05Å; L258-T284 HydrophobicContact CB-CG2 4.4Å; L258-T284 HydrophobicContact CD2-CG2 3.62Å; L258-T284 HydrophobicContact CG-CG2 3.66Å; L258-A288 HydrophobicContact CD1-CB 4.46Å; L258-I293 HydrophobicContact CD1-CG2 3.85Å; L258-E295 WeakPolarHBondContact CD2-OE1 3.21Å; L258-P301 HydrophobicContact CD1-CG 3.84Å; L258-P301 HydrophobicContact CD2-CB 3.79Å; L258-P301 HydrophobicContact CD2-CG 3.55Å; L258-P301 HydrophobicContact CG-CG 4.36Å
259S98.4Very high94.3Very high1 Ų128 Ų281%0.00714%0.144CC..Hα-helixtrans-59.8-36.3175.2-59.10000112.1Q257 V262 I263Q257-S259 VanDerWaalsContact C-N 3.31Å; Q257-S259 PolarHBondContact O-N 2.93Å; S259-V262 PolarHBondContact O-N 2.91Å; S259-I263 VanDerWaalsContact O-CG1 3.23Å; S259-I263 WeakPolarHBondContact O-CG1 3.24Å; S259-I263 PolarHBondContact O-N 3.47Å
260G98.3Very high94.9Very high0 Ų033 Ų330%017%0.166CC..Hα-helixtrans-62.9-47.1175.300000112.1Q257 L258 V262 I263 I264Q257-G260 WeakPolarHBondContact O-CA 3.47Å; Q257-G260 PolarHBondContact O-N 2.99Å; L258-G260 PolarHBondContact O-N 3.17Å; G260-V262 VanDerWaalsContact C-N 3.31Å; G260-V262 PolarHBondContact O-N 2.78Å; G260-I263 PolarHBondContact O-N 3.2Å; G260-I264 WeakPolarHBondContact O-CD1 3.33Å; G260-I264 VanDerWaalsContact O-CG1 3.31Å; G260-I264 WeakPolarHBondContact O-CG1 3.31Å; G260-I264 PolarHBondContact O-N 2.8Å
261K97.9Very high95.5Very high46 Ų4631 Ų3120%0.216%0.157CC..Hα-helixtrans-58.6-41.8175.3-65-178.9-177.2-176.10112.4E26 Q257 L258 T265 I293 K294E26-K261 HydrophobicContact CG-CG 4.1Å; E26-K261 WeakPolarHBondContact OE2-CG 3.32Å; Q257-K261 PolarHBondContact O-N 3.39Å; Q257-K261 VanDerWaalsContact O-N 3.09Å; L258-K261 PolarHBondContact O-N 3.31Å; K261-T265 WeakPolarHBondContact O-CB 3.4Å; K261-T265 PolarHBondContact O-N 2.91Å; K261-T265 PolarHBondContact O-OG1 3.06Å; K261-I293 HydrophobicContact CB-CG2 3.67Å; K261-I293 HydrophobicContact CD-CG2 3.8Å; K261-I293 HydrophobicContact CG-CG2 4.37Å; K261-K294 PolarHBondContact NZ-O 2.92Å
262V98.4Very high96Very high0 Ų032 Ų320%016%0.163CC..Hα-helixtrans-63.2-47.6175.6162.60000111.5L221 L258 S259 G260 I264 T265 I266 T284 I287 I293L221-V262 HydrophobicContact CD1-CG1 3.86Å; L258-V262 PolarHBondContact O-N 3.05Å; S259-V262 PolarHBondContact O-N 2.91Å; G260-V262 VanDerWaalsContact C-N 3.31Å; G260-V262 PolarHBondContact O-N 2.78Å; V262-I264 PolarHBondContact O-N 3.36Å; V262-T265 WeakPolarHBondContact O-CB 3.2Å; V262-T265 PolarHBondContact O-N 3.02Å; V262-I266 HydrophobicContact CG1-CD1 3.99Å; V262-I266 PolarHBondContact O-N 3.19Å; V262-T284 HydrophobicContact CB-CG2 4.32Å; V262-T284 HydrophobicContact CG2-CG2 3.7Å; V262-I287 HydrophobicContact CB-CB 4.46Å; V262-I287 HydrophobicContact CB-CG2 4.33Å; V262-I287 HydrophobicContact CG1-CB 3.77Å; V262-I287 HydrophobicContact CG1-CG1 3.93Å; V262-I287 HydrophobicContact CG1-CG2 3.83Å; V262-I287 HydrophobicContact CG2-CB 3.99Å; V262-I287 HydrophobicContact CG2-CG2 4.09Å; V262-I293 HydrophobicContact CG2-CD1 3.91Å
263I98.7Very high96.6Very high0 Ų032.5 Ų32.50%016%0.16CC..Hα-helixtrans-60.7-45.9179-70166000110.8I23 V100 L173 V175 L221 S259 G260 T265 I266 A267I23-I263 HydrophobicContact CD1-CD1 3.84Å; I23-I263 HydrophobicContact CG1-CD1 4.19Å; I23-I263 HydrophobicContact CG2-CD1 4.01Å; V100-I263 HydrophobicContact CG1-CD1 4.22Å; V100-I263 HydrophobicContact CG2-CD1 4.1Å; L173-I263 HydrophobicContact CD2-CG2 4.27Å; V175-I263 HydrophobicContact CB-CD1 4.37Å; V175-I263 HydrophobicContact CG1-CD1 3.93Å; V175-I263 HydrophobicContact CG1-CG1 4.13Å; V175-I263 HydrophobicContact CG2-CD1 4.4Å; V175-I263 HydrophobicContact CG2-CG1 4.21Å; V175-I263 HydrophobicContact CG2-CG2 4.25Å; L221-I263 HydrophobicContact CD2-CD1 4.14Å; L221-I263 HydrophobicContact CD2-CG1 4.05Å; S259-I263 VanDerWaalsContact O-CG1 3.23Å; S259-I263 WeakPolarHBondContact O-CG1 3.24Å; S259-I263 PolarHBondContact O-N 3.47Å; G260-I263 PolarHBondContact O-N 3.2Å; I263-T265 VanDerWaalsContact C-N 3.28Å; I263-T265 PolarHBondContact O-N 2.96Å; I263-I266 PolarHBondContact O-N 3.46Å; I263-A267 VanDerWaalsContact O-CB 3.25Å; I263-A267 WeakPolarHBondContact O-CB 3.06Å; I263-A267 PolarHBondContact O-N 3.24Å
264I98.1Very high97Very high13 Ų1332.6 Ų32.67%0.06716%0.16CC..Hα-helixtrans-62.6-38.9177.7-66.5155.7000111K4 L5 E26 L27 A30 G260 V262 A267 N268K4-I264 HydrophobicContact CD-CG2 4.37Å; L5-I264 HydrophobicContact CD1-CG1 3.99Å; L5-I264 HydrophobicContact CD1-CG2 4.49Å; E26-I264 HydrophobicContact CB-CD1 3.53Å; E26-I264 WeakPolarHBondContact O-CD1 3.32Å; L27-I264 HydrophobicContact CD2-CG1 3.94Å; A30-I264 HydrophobicContact CB-CD1 4.02Å; A30-I264 HydrophobicContact CB-CG1 4.25Å; A30-I264 HydrophobicContact CB-CG2 4.15Å; G260-I264 WeakPolarHBondContact O-CD1 3.33Å; G260-I264 VanDerWaalsContact O-CG1 3.31Å; G260-I264 WeakPolarHBondContact O-CG1 3.31Å; G260-I264 PolarHBondContact O-N 2.8Å; V262-I264 PolarHBondContact O-N 3.36Å; I264-A267 PolarHBondContact O-N 2.54Å; I264-N268 PolarHBondContact O-N 2.98Å; I264-N268 PolarHBondContact O-ND2 3.22Å
265T98Very high97.1Very high27 Ų2734.4 Ų34.417%0.16617%0.169CC..Hα-helixtrans-63.4-48178.7-61.20000110.6K261 V262 I263 N268 E269 Y291 I293K261-T265 WeakPolarHBondContact O-CB 3.4Å; K261-T265 PolarHBondContact O-N 2.91Å; K261-T265 PolarHBondContact O-OG1 3.06Å; V262-T265 WeakPolarHBondContact O-CB 3.2Å; V262-T265 PolarHBondContact O-N 3.02Å; I263-T265 VanDerWaalsContact C-N 3.28Å; I263-T265 PolarHBondContact O-N 2.96Å; T265-N268 PolarHBondContact O-N 3.37Å; T265-E269 PolarHBondContact O-N 3.27Å; T265-Y291 HydrophobicContact CG2-CD1 3.45Å; T265-Y291 VanDerWaalsContact CG2-CD1 3.45Å; T265-Y291 HydrophobicContact CG2-CD2 3.66Å; T265-Y291 HydrophobicContact CG2-CE1 3.79Å; T265-Y291 HydrophobicContact CG2-CE2 4.01Å; T265-Y291 HydrophobicContact CG2-CG 3.35Å; T265-I293 HydrophobicContact CG2-CD1 4.24Å; T265-I293 WeakPolarHBondContact OG1-CD1 3.13Å
266I98.4Very high97.2Very high0 Ų037.8 Ų37.80%019%0.193CC..Hα-helixtrans-63-44.6175.7-67.2168.9000111.3F219 V262 I263 N268 E269 L274 I282 I287F219-I266 HydrophobicContact CE1-CB 4.49Å; F219-I266 HydrophobicContact CE1-CD1 4.1Å; F219-I266 HydrophobicContact CE1-CG2 3.68Å; F219-I266 HydrophobicContact CE2-CD1 4.18Å; F219-I266 HydrophobicContact CZ-CB 4.49Å; F219-I266 HydrophobicContact CZ-CD1 3.61Å; F219-I266 HydrophobicContact CZ-CG2 4.15Å; V262-I266 HydrophobicContact CG1-CD1 3.99Å; V262-I266 PolarHBondContact O-N 3.19Å; I263-I266 PolarHBondContact O-N 3.46Å; I266-N268 PolarHBondContact O-N 2.87Å; I266-E269 WeakPolarHBondContact O-CB 3.15Å; I266-E269 WeakPolarHBondContact O-CG 3.33Å; I266-E269 PolarHBondContact O-N 2.85Å; I266-L274 HydrophobicContact CG2-CD1 3.54Å; I266-I282 HydrophobicContact CD1-CD1 4.07Å; I266-I282 HydrophobicContact CD1-CG2 4.4Å; I266-I287 HydrophobicContact CD1-CD1 4.16Å; I266-I287 HydrophobicContact CD1-CG1 4.08Å; I266-I287 HydrophobicContact CD1-CG2 4.49Å; I266-I287 HydrophobicContact CG1-CD1 4.45Å; I266-I287 HydrophobicContact CG1-CG2 4.3Å
267A97.9Very high97.4Very high11 Ų1138 Ų389%0.09119%0.192CC..Hα-helixtrans-62.1-16.8179.600000114L5 I98 L173 I263 I264L5-A267 HydrophobicContact CD2-CB 4.33Å; I98-A267 HydrophobicContact CD1-CB 3.96Å; L173-A267 HydrophobicContact CD2-CB 3.82Å; I263-A267 VanDerWaalsContact O-CB 3.25Å; I263-A267 WeakPolarHBondContact O-CB 3.06Å; I263-A267 PolarHBondContact O-N 3.24Å; I264-A267 PolarHBondContact O-N 2.54Å
268N96.4Very high97.4Very high67 Ų6738.2 Ų38.236%0.35819%0.194SC..THydrogen-bonded Turntrans-107.28.8177.1-75.1-81.8000113.3K4 I264 T265 I266K4-N268 PolarHBondContact O-OD1 2.9Å; I264-N268 PolarHBondContact O-N 2.98Å; I264-N268 PolarHBondContact O-ND2 3.22Å; T265-N268 PolarHBondContact O-N 3.37Å; I266-N268 PolarHBondContact O-N 2.87Å
269E96.7Very high97.5Very high21 Ų2139.1 Ų39.110%0.09820%0.203CC..SBendtrans-65.4156.6170.4-71.6179148.900111.4T265 I266 K273 L274 R277 Y291T265-E269 PolarHBondContact O-N 3.27Å; I266-E269 WeakPolarHBondContact O-CB 3.15Å; I266-E269 WeakPolarHBondContact O-CG 3.33Å; I266-E269 PolarHBondContact O-N 2.85Å; E269-K273 HydrophobicContact CB-CB 4.26Å; E269-K273 HydrophobicContact CB-CD 4.43Å; E269-K273 HydrophobicContact CB-CG 4.39Å; E269-K273 HydrophobicContact CG-CD 4.16Å; E269-K273 HydrophobicContact CG-CG 4.43Å; E269-K273 WeakPolarHBondContact OE1-CE 3.34Å; E269-K273 IonicContact OE1-NZ 3.82Å; E269-L274 HydrophobicContact CB-CB 4.25Å; E269-R277 VanDerWaalsContact CD-NE 3.3Å; E269-R277 IonicContact OE1-CZ 2.94Å; E269-R277 VanDerWaalsContact OE1-CZ 3.28Å; E269-R277 IonicContact OE1-NE 3.69Å; E269-R277 PolarHBondContact OE1-NE 2.97Å; E269-R277 IonicContact OE1-NH2 3.7Å; E269-R277 PolarHBondContact OE1-NH2 3.46Å; E269-R277 WeakPolarHBondContact OE2-CD 3.42Å; E269-R277 IonicContact OE2-CZ 3.86Å; E269-R277 IonicContact OE2-NE 3Å; E269-R277 PolarHBondContact OE2-NE 2.88Å; E269-R277 IonicContact OE2-NH2 3.87Å; E269-Y291 WeakPolarHBondContact CG-OH 3.41Å; E269-Y291 PolarHBondContact OE1-OH 2.83Å
270Q95.1Very high97.4Very high161 Ų16143 Ų4375%0.75222%0.221SC*.  trans-55.9144167.4-70.9-66.7-17.500109.9D272 K273 L274Q270-D272 VanDerWaalsContact C-N 3.32Å; Q270-D272 PolarHBondContact O-N 3.4Å; Q270-D272 VanDerWaalsContact O-N 3.17Å; Q270-K273 WeakPolarHBondContact O-CA 3.41Å; Q270-K273 WeakPolarHBondContact O-CB 3.42Å; Q270-K273 PolarHBondContact O-N 3.42Å; Q270-L274 PolarHBondContact O-N 2.97Å
271R94.8Very high97.4Very high68 Ų6845.5 Ų45.526%0.25724%0.237SC..Hα-helixtrans-46.5-51.6-172178.6179.3177.9122.6-9.3113.3D166 L169 P171 N215 K273 L274 L275D166-R271 PolarHBondContact O-NH1 3.18Å; L169-R271 PolarHBondContact O-NH1 2.94Å; P171-R271 HydrophobicContact CG-CG 3.93Å; N215-R271 VanDerWaalsContact CG-NH2 3.27Å; N215-R271 PolarHBondContact ND2-NH1 3.16Å; N215-R271 VanDerWaalsContact ND2-NH1 3.16Å; N215-R271 PolarHBondContact OD1-NH1 2.95Å; N215-R271 PolarHBondContact OD1-NH2 3.38Å; N215-R271 VanDerWaalsContact OD1-NH2 3.17Å; R271-K273 VanDerWaalsContact C-N 3.3Å; R271-K273 PolarHBondContact O-N 2.97Å; R271-L274 PolarHBondContact O-N 3.1Å; R271-L275 HydrophobicContact CG-CD1 3.86Å; R271-L275 HydrophobicContact CG-CG 4.43Å; R271-L275 WeakPolarHBondContact O-CB 3.43Å; R271-L275 WeakPolarHBondContact O-CG 3.2Å; R271-L275 PolarHBondContact O-N 3.05Å
272D95.2Very high97.4Very high133 Ų13343.7 Ų43.771%0.71123%0.229SC*.Hα-helixtrans-65-35.9-177-64.8-16.7000112.1Q270 S276Q270-D272 VanDerWaalsContact C-N 3.32Å; Q270-D272 PolarHBondContact O-N 3.4Å; Q270-D272 VanDerWaalsContact O-N 3.17Å; D272-S276 WeakPolarHBondContact O-CB 3.45Å; D272-S276 PolarHBondContact O-N 2.96Å
273K97.1Very high97.3Very high76 Ų7644 Ų4433%0.3323%0.23SC..Hα-helixtrans-68.3-46.3175.8-171.9175.8-175.3-1800110.9E269 Q270 R271 L275 S276 E290 Y291E269-K273 HydrophobicContact CB-CB 4.26Å; E269-K273 HydrophobicContact CB-CD 4.43Å; E269-K273 HydrophobicContact CB-CG 4.39Å; E269-K273 HydrophobicContact CG-CD 4.16Å; E269-K273 HydrophobicContact CG-CG 4.43Å; E269-K273 WeakPolarHBondContact OE1-CE 3.34Å; E269-K273 IonicContact OE1-NZ 3.82Å; Q270-K273 WeakPolarHBondContact O-CA 3.41Å; Q270-K273 WeakPolarHBondContact O-CB 3.42Å; Q270-K273 PolarHBondContact O-N 3.42Å; R271-K273 VanDerWaalsContact C-N 3.3Å; R271-K273 PolarHBondContact O-N 2.97Å; K273-L275 PolarHBondContact O-N 3.24Å; K273-S276 WeakPolarHBondContact O-CB 3.26Å; K273-S276 PolarHBondContact O-N 2.77Å; K273-S276 PolarHBondContact O-OG 2.88Å; K273-E290 IonicContact NZ-OE1 2.68Å; K273-E290 PolarHBondContact NZ-OE1 3.15Å; K273-Y291 WeakPolarHBondContact CE-OH 3.29Å; K273-Y291 PolarHBondContact NZ-OH 2.93Å
274L97.7Very high97.3Very high5 Ų544 Ų443%0.02623%0.23CC..Hα-helixtrans-58.5-48.2175.7174.155.6000111.3P171 L173 C217 I266 E269 Q270 R271 S276 R277P171-L274 HydrophobicContact CB-CD2 3.87Å; P171-L274 HydrophobicContact CB-CG 4.5Å; P171-L274 HydrophobicContact CG-CD2 3.93Å; L173-L274 HydrophobicContact CD1-CD1 4.38Å; C217-L274 HydrophobicContact CB-CD1 4.08Å; C217-L274 HydrophobicContact CB-CG 4.2Å; C217-L274 PolarHBondContact SG-O 3.12Å; I266-L274 HydrophobicContact CG2-CD1 3.54Å; E269-L274 HydrophobicContact CB-CB 4.25Å; Q270-L274 PolarHBondContact O-N 2.97Å; R271-L274 PolarHBondContact O-N 3.1Å; L274-S276 VanDerWaalsContact C-N 3.28Å; L274-S276 PolarHBondContact O-N 3.34Å; L274-R277 WeakPolarHBondContact O-CB 3.27Å; L274-R277 PolarHBondContact O-N 2.95Å; L274-R277 VanDerWaalsContact O-N 3.16Å
275L97.1Very high97.1Very high48 Ų4843.4 Ų43.425%0.25123%0.228SC..Hα-helixtrans-68.2-26.1179.3-68.1177000112.7P171 C217 R271 K273 R277 N278P171-L275 HydrophobicContact CB-CD2 3.97Å; P171-L275 HydrophobicContact CG-CD2 4.26Å; P171-L275 HydrophobicContact CG-CG 4.27Å; C217-L275 HydrophobicContact CB-CD2 4.39Å; R271-L275 HydrophobicContact CG-CD1 3.86Å; R271-L275 HydrophobicContact CG-CG 4.43Å; R271-L275 WeakPolarHBondContact O-CB 3.43Å; R271-L275 WeakPolarHBondContact O-CG 3.2Å; R271-L275 PolarHBondContact O-N 3.05Å; K273-L275 PolarHBondContact O-N 3.24Å; L275-R277 PolarHBondContact O-N 3.42Å; L275-N278 WeakPolarHBondContact O-CB 3.41Å; L275-N278 PolarHBondContact O-N 3.42Å
276S97.3Very high97Very high71 Ų7144 Ų4450%0.49723%0.229SC..Hα-helixtrans-65.7-19.7173.980.10000113.5D272 K273 L274 N278 Q280D272-S276 WeakPolarHBondContact O-CB 3.45Å; D272-S276 PolarHBondContact O-N 2.96Å; K273-S276 WeakPolarHBondContact O-CB 3.26Å; K273-S276 PolarHBondContact O-N 2.77Å; K273-S276 PolarHBondContact O-OG 2.88Å; L274-S276 VanDerWaalsContact C-N 3.28Å; L274-S276 PolarHBondContact O-N 3.34Å; S276-N278 VanDerWaalsContact C-N 3.28Å; S276-Q280 PolarHBondContact O-NE2 3.3Å
277R98.1Very high97Very high20 Ų2044.1 Ų44.18%0.07523%0.23CC..THydrogen-bonded Turntrans-80.8-6.8176.9-64.4-177-178.8-74.35.9113.6E269 L274 L275 G279 Q280 I282 E290E269-R277 VanDerWaalsContact CD-NE 3.3Å; E269-R277 IonicContact OE1-CZ 2.94Å; E269-R277 VanDerWaalsContact OE1-CZ 3.28Å; E269-R277 IonicContact OE1-NE 3.69Å; E269-R277 PolarHBondContact OE1-NE 2.97Å; E269-R277 IonicContact OE1-NH2 3.7Å; E269-R277 PolarHBondContact OE1-NH2 3.46Å; E269-R277 WeakPolarHBondContact OE2-CD 3.42Å; E269-R277 IonicContact OE2-CZ 3.86Å; E269-R277 IonicContact OE2-NE 3Å; E269-R277 PolarHBondContact OE2-NE 2.88Å; E269-R277 IonicContact OE2-NH2 3.87Å; L274-R277 WeakPolarHBondContact O-CB 3.27Å; L274-R277 PolarHBondContact O-N 2.95Å; L274-R277 VanDerWaalsContact O-N 3.16Å; L275-R277 PolarHBondContact O-N 3.42Å; R277-G279 PolarHBondContact O-N 3.45Å; R277-Q280 VanDerWaalsContact O-CB 3.28Å; R277-Q280 WeakPolarHBondContact O-CB 3.33Å; R277-Q280 WeakPolarHBondContact O-CG 3.24Å; R277-Q280 PolarHBondContact O-N 3.43Å; R277-I282 HydrophobicContact CB-CD1 4.1Å; R277-I282 HydrophobicContact CG-CD1 4.18Å; R277-E290 IonicContact NH2-OE1 3.31Å; R277-E290 IonicContact NH2-OE2 2.79Å; R277-E290 PolarHBondContact NH2-OE2 3.36Å; R277-E290 VanDerWaalsContact NH2-OE2 3.12Å
278N98.5Very high96.9Very high35 Ų3543.7 Ų43.719%0.18723%0.227CC..THydrogen-bonded Turntrans-59124.5-175.8-167.436.4000111.5A206 I218 L275 S276 Q280A206-N278 VanDerWaalsContact CB-OD1 3.31Å; A206-N278 WeakPolarHBondContact CB-OD1 3.34Å; A206-N278 PolarHBondContact O-ND2 3.02Å; I218-N278 WeakPolarHBondContact CG2-OD1 3.2Å; I218-N278 PolarHBondContact N-OD1 3.48Å; I218-N278 PolarHBondContact O-OD1 3.03Å; L275-N278 WeakPolarHBondContact O-CB 3.41Å; L275-N278 PolarHBondContact O-N 3.42Å; S276-N278 VanDerWaalsContact C-N 3.28Å; N278-Q280 VanDerWaalsContact C-N 3.33Å
279G98.5Very high96.9Very high19 Ų1942.1 Ų42.120%0.19622%0.219CC..THydrogen-bonded Turntrans81.52.8-179.100000115.2A206 I218 R277A206-G279 VanDerWaalsContact CB-N 3.26Å; I218-G279 PolarHBondContact O-N 3.18Å; R277-G279 PolarHBondContact O-N 3.45Å
280Q98.2Very high96.8Very high82 Ų8245.8 Ų45.838%0.38324%0.235SC..  trans-80.1155.9-178.3-63.9-1761.400112.7F219 S220 S276 R277 N278 I282F219-Q280 WeakPolarHBondContact CB-O 3.2Å; S220-Q280 PolarHBondContact N-O 3.23Å; S276-Q280 PolarHBondContact O-NE2 3.3Å; R277-Q280 VanDerWaalsContact O-CB 3.28Å; R277-Q280 WeakPolarHBondContact O-CB 3.33Å; R277-Q280 WeakPolarHBondContact O-CG 3.24Å; R277-Q280 PolarHBondContact O-N 3.43Å; N278-Q280 VanDerWaalsContact C-N 3.33Å; Q280-I282 HydrophobicContact CB-CG1 4.09Å
281V97.6Very high96.9Very high53 Ų5342 Ų4232%0.32122%0.215SC..EExtended strand (participates in β ladder)trans-96121.1158.8171.50000107.5D199 S220 W222 L283D199-V281 HydrophobicContact CB-CG2 4.3Å; S220-V281 WeakPolarHBondContact O-CA 3.5Å; W222-V281 HydrophobicContact CD2-CG1 3.57Å; W222-V281 HydrophobicContact CE3-CG1 4.13Å; W222-V281 HydrophobicContact CG-CG1 3.92Å; W222-V281 HydrophobicContact CH2-CG1 3.96Å; W222-V281 HydrophobicContact CZ2-CG1 3.5Å; W222-V281 HydrophobicContact CZ2-CG2 4.36Å; W222-V281 HydrophobicContact CZ3-CG1 4.31Å; V281-L283 HydrophobicContact CG1-CD1 4.48Å
282I97.6Very high97Very high8 Ų843.7 Ų43.74%0.04124%0.237CC..EExtended strand (participates in β ladder)trans-116130.2-175.9-62-179.1000108.9F219 S220 L221 W222 I266 R277 Q280 I287F219-I282 HydrophobicContact CB-CD1 4.21Å; F219-I282 HydrophobicContact CD1-CD1 4.17Å; F219-I282 HydrophobicContact CD2-CB 4.38Å; F219-I282 HydrophobicContact CD2-CD1 3.83Å; F219-I282 HydrophobicContact CD2-CG1 4.31Å; F219-I282 HydrophobicContact CE1-CD1 4.48Å; F219-I282 HydrophobicContact CE2-CD1 4.2Å; F219-I282 HydrophobicContact CG-CD1 3.83Å; S220-I282 PolarHBondContact O-N 3.37Å; L221-I282 CarbonylContact C-O 3.48Å; L221-I282 WeakPolarHBondContact CA-O 3.28Å; L221-I282 HydrophobicContact CD1-CB 4.36Å; L221-I282 HydrophobicContact CD1-CG2 4.12Å; W222-I282 PolarHBondContact N-O 3.24Å; I266-I282 HydrophobicContact CD1-CD1 4.07Å; I266-I282 HydrophobicContact CD1-CG2 4.4Å; R277-I282 HydrophobicContact CB-CD1 4.1Å; R277-I282 HydrophobicContact CG-CD1 4.18Å; Q280-I282 HydrophobicContact CB-CG1 4.09Å; I282-I287 HydrophobicContact CG2-CD1 3.63Å; I282-I287 HydrophobicContact CG2-CG1 3.31Å
283L96.8Very high97.1Very high5 Ų538.2 Ų38.23%0.02621%0.208CC..EExtended strand (participates in β ladder)trans-88.1133.6172.5-81.466.5000109.4W222 V281 C285 D286 I287 L304 R305 L330W222-L283 HydrophobicContact CB-CD1 4.45Å; W222-L283 HydrophobicContact CB-CG 4.33Å; W222-L283 HydrophobicContact CE3-CD1 3.96Å; W222-L283 HydrophobicContact CE3-CG 4.45Å; W222-L283 HydrophobicContact CZ3-CD1 4.49Å; V281-L283 HydrophobicContact CG1-CD1 4.48Å; L283-C285 PolarHBondContact O-N 3.21Å; L283-D286 HydrophobicContact CB-CB 4.21Å; L283-D286 PolarHBondContact O-N 3.32Å; L283-I287 PolarHBondContact O-N 3.22Å; L283-L304 HydrophobicContact CD2-CB 4.22Å; L283-L304 HydrophobicContact CD2-CD1 4.36Å; L283-R305 HydrophobicContact CD2-CG 4.02Å; L283-L330 HydrophobicContact CD1-CD1 3.95Å; L283-L330 HydrophobicContact CD1-CD2 4.05Å; L283-L330 HydrophobicContact CD2-CD1 3.92Å
284T97.6Very high97.1Very high0 Ų040.6 Ų40.60%022%0.218CC..Hα-helixtrans-54.3-42177.7-56.10000110.9W222 P223 L258 V262 D286 I287 A288W222-T284 PolarHBondContact O-N 3.47Å; W222-T284 PolarHBondContact O-OG1 3Å; P223-T284 WeakPolarHBondContact CA-OG1 3.39Å; L258-T284 HydrophobicContact CB-CG2 4.4Å; L258-T284 HydrophobicContact CD2-CG2 3.62Å; L258-T284 HydrophobicContact CG-CG2 3.66Å; V262-T284 HydrophobicContact CB-CG2 4.32Å; V262-T284 HydrophobicContact CG2-CG2 3.7Å; T284-D286 PolarHBondContact O-N 3.3Å; T284-I287 PolarHBondContact O-N 3.33Å; T284-A288 WeakPolarHBondContact O-CB 3.43Å; T284-A288 PolarHBondContact O-N 2.73Å
285C95.2Very high97Very high2 Ų240.7 Ų40.71%0.01422%0.218CC..Hα-helixtrans-67.5-28.4178.667.20000114.9L283 D289 I302 N303 L304L283-C285 PolarHBondContact O-N 3.21Å; C285-D289 WeakPolarHBondContact O-CB 3.33Å; C285-D289 PolarHBondContact O-N 3.18Å; C285-I302 VanDerWaalsContact CB-O 3.27Å; C285-I302 WeakPolarHBondContact CB-O 3.35Å; C285-N303 HydrophobicContact CB-CB 4.27Å; C285-N303 PolarHBondContact O-ND2 2.93Å; C285-L304 PolarHBondContact SG-N 3.32Å
286D95.9Very high96.7Very high38 Ų3843.1 Ų43.120%0.20323%0.23CC..Hα-helixtrans-71.1-41.2178.2-81-2.8000110.3L283 T284 D289 E290 N303 R305L283-D286 HydrophobicContact CB-CB 4.21Å; L283-D286 PolarHBondContact O-N 3.32Å; T284-D286 PolarHBondContact O-N 3.3Å; D286-D289 PolarHBondContact O-N 2.75Å; D286-E290 WeakPolarHBondContact O-CB 3.37Å; D286-E290 PolarHBondContact O-N 3.27Å; D286-N303 PolarHBondContact OD1-ND2 3.25Å; D286-N303 PolarHBondContact OD1-OD1 3.28Å; D286-R305 WeakPolarHBondContact OD1-CD 3.47Å; D286-R305 WeakPolarHBondContact OD2-CD 3.09Å; D286-R305 IonicContact OD2-CZ 3.91Å; D286-R305 IonicContact OD2-NE 3.18Å; D286-R305 IonicContact OD2-NH1 2.73Å; D286-R305 PolarHBondContact OD2-NH1 2.77Å
287I97.5Very high96.4Very high3 Ų343.9 Ų43.92%0.01523%0.229CC..Hα-helixtrans-70.9-37.6175.2-53.5-63.9000111V262 I266 I282 L283 T284 D289 E290 Y291 I293V262-I287 HydrophobicContact CB-CB 4.46Å; V262-I287 HydrophobicContact CB-CG2 4.33Å; V262-I287 HydrophobicContact CG1-CB 3.77Å; V262-I287 HydrophobicContact CG1-CG1 3.93Å; V262-I287 HydrophobicContact CG1-CG2 3.83Å; V262-I287 HydrophobicContact CG2-CB 3.99Å; V262-I287 HydrophobicContact CG2-CG2 4.09Å; I266-I287 HydrophobicContact CD1-CD1 4.16Å; I266-I287 HydrophobicContact CD1-CG1 4.08Å; I266-I287 HydrophobicContact CD1-CG2 4.49Å; I266-I287 HydrophobicContact CG1-CD1 4.45Å; I266-I287 HydrophobicContact CG1-CG2 4.3Å; I282-I287 HydrophobicContact CG2-CD1 3.63Å; I282-I287 HydrophobicContact CG2-CG1 3.31Å; L283-I287 PolarHBondContact O-N 3.22Å; T284-I287 PolarHBondContact O-N 3.33Å; I287-D289 VanDerWaalsContact C-N 3.3Å; I287-D289 PolarHBondContact O-N 3.01Å; I287-E290 PolarHBondContact O-N 2.97Å; I287-Y291 HydrophobicContact CG2-CD2 3.87Å; I287-Y291 HydrophobicContact CG2-CE2 4.43Å; I287-Y291 PolarHBondContact O-N 3.25Å; I287-I293 HydrophobicContact CG2-CD1 4.26Å
288A97.1Very high96.1Very high2 Ų244.8 Ų44.82%0.01725%0.245CC..Hα-helixtrans-62.6-38.8175.300000112.2L258 T284 S292 I293 P301L258-A288 HydrophobicContact CD1-CB 4.46Å; T284-A288 WeakPolarHBondContact O-CB 3.43Å; T284-A288 PolarHBondContact O-N 2.73Å; A288-S292 CarbonylContact O-C 3.57Å; A288-S292 VanDerWaalsContact O-CA 3.26Å; A288-S292 WeakPolarHBondContact O-CA 3.17Å; A288-S292 PolarHBondContact O-N 3.11Å; A288-I293 HydrophobicContact CB-CB 4.07Å; A288-I293 PolarHBondContact O-N 2.65Å; A288-P301 HydrophobicContact CB-CG 3.94Å
289D94.7Very high95.8Very high35 Ų3547.4 Ų47.419%0.18725%0.252CS..Hα-helixtrans-64.7-49.7171.5-92.5-23000112C285 D286 I287 Y291 S292 K300 N303 R327C285-D289 WeakPolarHBondContact O-CB 3.33Å; C285-D289 PolarHBondContact O-N 3.18Å; D286-D289 PolarHBondContact O-N 2.75Å; I287-D289 VanDerWaalsContact C-N 3.3Å; I287-D289 PolarHBondContact O-N 3.01Å; D289-Y291 VanDerWaalsContact C-N 3.29Å; D289-Y291 PolarHBondContact O-N 3.34Å; D289-S292 PolarHBondContact O-N 2.68Å; D289-K300 WeakPolarHBondContact OD1-CE 3.24Å; D289-K300 IonicContact OD1-NZ 2.73Å; D289-K300 PolarHBondContact OD1-NZ 3.44Å; D289-N303 WeakPolarHBondContact OD2-CB 3.44Å; D289-N303 PolarHBondContact OD2-ND2 2.76Å; D289-R327 IonicContact OD1-NH2 3.76Å; D289-R327 IonicContact OD2-CZ 3.33Å; D289-R327 IonicContact OD2-NE 3.05Å; D289-R327 PolarHBondContact OD2-NE 3.3Å; D289-R327 IonicContact OD2-NH2 2.76Å; D289-R327 PolarHBondContact OD2-NH2 3.12Å
290E95.9Very high95.5Very high97 Ų9752.8 Ų52.845%0.45327%0.27SS..Hα-helixtrans-58.3-40.5-177.4-174.4-177.4176.600112.1K273 R277 D286 I287K273-E290 IonicContact NZ-OE1 2.68Å; K273-E290 PolarHBondContact NZ-OE1 3.15Å; R277-E290 IonicContact NH2-OE1 3.31Å; R277-E290 IonicContact NH2-OE2 2.79Å; R277-E290 PolarHBondContact NH2-OE2 3.36Å; R277-E290 VanDerWaalsContact NH2-OE2 3.12Å; D286-E290 WeakPolarHBondContact O-CB 3.37Å; D286-E290 PolarHBondContact O-N 3.27Å; I287-E290 PolarHBondContact O-N 2.97Å
291Y97.2Very high95.2Very high83 Ų8349.4 Ų49.433%0.32526%0.255SS..THydrogen-bonded Turntrans-1078.8-174.7-74.5-88.6000114.4T265 E269 K273 I287 D289 I293T265-Y291 HydrophobicContact CG2-CD1 3.45Å; T265-Y291 VanDerWaalsContact CG2-CD1 3.45Å; T265-Y291 HydrophobicContact CG2-CD2 3.66Å; T265-Y291 HydrophobicContact CG2-CE1 3.79Å; T265-Y291 HydrophobicContact CG2-CE2 4.01Å; T265-Y291 HydrophobicContact CG2-CG 3.35Å; E269-Y291 WeakPolarHBondContact CG-OH 3.41Å; E269-Y291 PolarHBondContact OE1-OH 2.83Å; K273-Y291 WeakPolarHBondContact CE-OH 3.29Å; K273-Y291 PolarHBondContact NZ-OH 2.93Å; I287-Y291 HydrophobicContact CG2-CD2 3.87Å; I287-Y291 HydrophobicContact CG2-CE2 4.43Å; I287-Y291 PolarHBondContact O-N 3.25Å; D289-Y291 VanDerWaalsContact C-N 3.29Å; D289-Y291 PolarHBondContact O-N 3.34Å; Y291-I293 PolarHBondContact O-N 3.16Å
292S96.7Very high94.8Very high102 Ų10250.1 Ų50.171%0.71326%0.256SS*.THydrogen-bonded Turntrans52.537.2-176.6-600000113.5A288 D289A288-S292 CarbonylContact O-C 3.57Å; A288-S292 VanDerWaalsContact O-CA 3.26Å; A288-S292 WeakPolarHBondContact O-CA 3.17Å; A288-S292 PolarHBondContact O-N 3.11Å; D289-S292 PolarHBondContact O-N 2.68Å
293I97.4Very high94.5Very high19 Ų1950.1 Ų50.110%0.09726%0.256CS..  trans-73.5130.8177.4-53173.2000108.3L258 K261 V262 T265 I287 A288 Y291 P301L258-I293 HydrophobicContact CD1-CG2 3.85Å; K261-I293 HydrophobicContact CB-CG2 3.67Å; K261-I293 HydrophobicContact CD-CG2 3.8Å; K261-I293 HydrophobicContact CG-CG2 4.37Å; V262-I293 HydrophobicContact CG2-CD1 3.91Å; T265-I293 HydrophobicContact CG2-CD1 4.24Å; T265-I293 WeakPolarHBondContact OG1-CD1 3.13Å; I287-I293 HydrophobicContact CG2-CD1 4.26Å; A288-I293 HydrophobicContact CB-CB 4.07Å; A288-I293 PolarHBondContact O-N 2.65Å; Y291-I293 PolarHBondContact O-N 3.16Å; I293-P301 WeakPolarHBondContact O-CD 3.36Å
294K96.4Very high94.2Very high126 Ų12651.9 Ų51.955%0.54827%0.266SS..  trans-104.8152.5179.1-67.3176.4169.5-165.90111.4K261 G298 R299K261-K294 PolarHBondContact NZ-O 2.92Å; K294-G298 WeakPolarHBondContact CD-O 3.44Å; K294-R299 WeakPolarHBondContact CA-O 3.5Å
295E95.1Very high93.9Very high7 Ų755 Ų553%0.03328%0.277CS..  trans-55.5163.3164.7-75.2-62.7169.500111.5R227 E254 S255 L258 D297 G298 R299 P301R227-E295 IonicContact NH2-OE2 3.19Å; E254-E295 WeakPolarHBondContact CA-OE1 3.25Å; S255-E295 WeakPolarHBondContact CB-OE2 3.42Å; S255-E295 PolarHBondContact N-OE1 2.68Å; S255-E295 PolarHBondContact N-OE2 2.81Å; S255-E295 PolarHBondContact OG-OE2 3.2Å; L258-E295 WeakPolarHBondContact CD2-OE1 3.21Å; E295-D297 WeakPolarHBondContact CB-OD1 3.27Å; E295-D297 PolarHBondContact O-N 3.42Å; E295-G298 PolarHBondContact O-N 3.03Å; E295-R299 HydrophobicContact CB-CB 4.45Å; E295-R299 PolarHBondContact N-O 3.38Å; E295-P301 HydrophobicContact CG-CG 4.12Å
296I92Very high93.8Very high99 Ų9955.3 Ų55.351%0.50828%0.28SS..THydrogen-bonded Turntrans-60.1-2517760.3174.3000113Q257 G298Q257-I296 HydrophobicContact CB-CG2 3.88Å; Q257-I296 HydrophobicContact CG-CG2 4.12Å; I296-G298 VanDerWaalsContact C-N 3.33Å
297D90.6Very high93.5Very high86 Ų8655.5 Ų55.546%0.4628%0.281SS..THydrogen-bonded Turntrans-90.36.1175.861.419.1000113.4E295 R299E295-D297 WeakPolarHBondContact CB-OD1 3.27Å; E295-D297 PolarHBondContact O-N 3.42Å; D297-R299 VanDerWaalsContact C-N 3.31Å; D297-R299 PolarHBondContact O-N 3.44Å; D297-R299 VanDerWaalsContact OD1-CB 3.29Å; D297-R299 WeakPolarHBondContact OD1-CB 2.66Å; D297-R299 WeakPolarHBondContact OD1-CG 3.43Å; D297-R299 IonicContact OD1-CZ 3.86Å; D297-R299 PolarHBondContact OD1-N 2.73Å; D297-R299 IonicContact OD1-NE 3.68Å; D297-R299 PolarHBondContact OD1-NE 3.36Å; D297-R299 IonicContact OD1-NH2 3.91Å; D297-R299 IonicContact OD2-CZ 3.16Å; D297-R299 IonicContact OD2-NE 2.73Å; D297-R299 PolarHBondContact OD2-NE 2.8Å; D297-R299 IonicContact OD2-NH2 2.75Å; D297-R299 PolarHBondContact OD2-NH2 2.86Å
298G92.4Very high93.1Very high40 Ų4057.6 Ų57.641%0.41229%0.29SS..SBendtrans83.1-2.1178.200000115.1K294 E295 I296K294-G298 WeakPolarHBondContact CD-O 3.44Å; E295-G298 PolarHBondContact O-N 3.03Å; I296-G298 VanDerWaalsContact C-N 3.33Å
299R92.1Very high92.7Very high89 Ų8960.4 Ų60.434%0.33630%0.304SS..PPolyproline II helixtrans-72.7158175.6-65-178.9-60121.9-3.8111.8D251 K294 E295 D297D251-R299 PolarHBondContact O-NH1 2.77Å; D251-R299 PolarHBondContact O-NH2 3.48Å; D251-R299 VanDerWaalsContact O-NH2 3.11Å; K294-R299 WeakPolarHBondContact CA-O 3.5Å; E295-R299 HydrophobicContact CB-CB 4.45Å; E295-R299 PolarHBondContact N-O 3.38Å; D297-R299 VanDerWaalsContact C-N 3.31Å; D297-R299 PolarHBondContact O-N 3.44Å; D297-R299 VanDerWaalsContact OD1-CB 3.29Å; D297-R299 WeakPolarHBondContact OD1-CB 2.66Å; D297-R299 WeakPolarHBondContact OD1-CG 3.43Å; D297-R299 IonicContact OD1-CZ 3.86Å; D297-R299 PolarHBondContact OD1-N 2.73Å; D297-R299 IonicContact OD1-NE 3.68Å; D297-R299 PolarHBondContact OD1-NE 3.36Å; D297-R299 IonicContact OD1-NH2 3.91Å; D297-R299 IonicContact OD2-CZ 3.16Å; D297-R299 IonicContact OD2-NE 2.73Å; D297-R299 PolarHBondContact OD2-NE 2.8Å; D297-R299 IonicContact OD2-NH2 2.75Å; D297-R299 PolarHBondContact OD2-NH2 2.86Å
300K91.4Very high92.2Very high133 Ų13359.5 Ų59.558%0.57830%0.302SS*.PPolyproline II helixtrans-82.1126.3169.4-174.4170.8178.1170.90109D289D289-K300 WeakPolarHBondContact OD1-CE 3.24Å; D289-K300 IonicContact OD1-NZ 2.73Å; D289-K300 PolarHBondContact OD1-NZ 3.44Å
301P92.6Very high91.7Very high10 Ų1055.7 Ų55.77%0.06529%0.285CS..PPolyproline II helixtrans-57.9148.2176.1-22.732.2000111.8L258 A288 I293 E295 N303L258-P301 HydrophobicContact CD1-CG 3.84Å; L258-P301 HydrophobicContact CD2-CB 3.79Å; L258-P301 HydrophobicContact CD2-CG 3.55Å; L258-P301 HydrophobicContact CG-CG 4.36Å; A288-P301 HydrophobicContact CB-CG 3.94Å; I293-P301 WeakPolarHBondContact O-CD 3.36Å; E295-P301 HydrophobicContact CG-CG 4.12Å; P301-N303 PolarHBondContact O-N 2.76Å
302I89.6Confident91.1Very high69 Ų6955.7 Ų55.735%0.35429%0.287SS..PPolyproline II helixtrans-67131.9171.6-66.2-166.6000108.9T252 C285 L309T252-I302 HydrophobicContact CG2-CD1 3.76Å; C285-I302 VanDerWaalsContact CB-O 3.27Å; C285-I302 WeakPolarHBondContact CB-O 3.35Å; I302-L309 HydrophobicContact CG2-CD2 3.64Å
303N91.5Very high90.1Very high7 Ų754.8 Ų54.84%0.03728%0.277CS..PPolyproline II helixtrans-89.5118171.3-168.2-51.7000110.8C285 D286 D289 P301 R305 S306 R327C285-N303 HydrophobicContact CB-CB 4.27Å; C285-N303 PolarHBondContact O-ND2 2.93Å; D286-N303 PolarHBondContact OD1-ND2 3.25Å; D286-N303 PolarHBondContact OD1-OD1 3.28Å; D289-N303 WeakPolarHBondContact OD2-CB 3.44Å; D289-N303 PolarHBondContact OD2-ND2 2.76Å; P301-N303 PolarHBondContact O-N 2.76Å; N303-R305 PolarHBondContact O-N 2.73Å; N303-R305 WeakPolarHBondContact OD1-CA 3.41Å; N303-R305 VanDerWaalsContact OD1-CB 3.24Å; N303-R305 WeakPolarHBondContact OD1-CB 3.07Å; N303-R305 PolarHBondContact OD1-N 2.74Å; N303-S306 WeakPolarHBondContact O-CB 3.48Å; N303-S306 PolarHBondContact O-N 2.89Å; N303-R327 VanDerWaalsContact CG-NE 3.32Å; N303-R327 PolarHBondContact ND2-NE 3.05Å
304L89.3Confident89.2Confident42 Ų4257.6 Ų57.622%0.2229%0.293CS..THydrogen-bonded Turntrans-61.2-21.7179-66.2175.6000113.5L283 C285 S306L283-L304 HydrophobicContact CD2-CB 4.22Å; L283-L304 HydrophobicContact CD2-CD1 4.36Å; C285-L304 PolarHBondContact SG-N 3.32Å; L304-S306 VanDerWaalsContact C-N 3.31Å
305R91.9Very high88.7Confident66 Ų6658 Ų5825%0.24929%0.294CS..THydrogen-bonded Turntrans-88.96.4175.3-54.7178.265.6-179.2-6.8112.8L283 D286 N303 L307 R327 I328 V333L283-R305 HydrophobicContact CD2-CG 4.02Å; D286-R305 WeakPolarHBondContact OD1-CD 3.47Å; D286-R305 WeakPolarHBondContact OD2-CD 3.09Å; D286-R305 IonicContact OD2-CZ 3.91Å; D286-R305 IonicContact OD2-NE 3.18Å; D286-R305 IonicContact OD2-NH1 2.73Å; D286-R305 PolarHBondContact OD2-NH1 2.77Å; N303-R305 PolarHBondContact O-N 2.73Å; N303-R305 WeakPolarHBondContact OD1-CA 3.41Å; N303-R305 VanDerWaalsContact OD1-CB 3.24Å; N303-R305 WeakPolarHBondContact OD1-CB 3.07Å; N303-R305 PolarHBondContact OD1-N 2.74Å; R305-L307 PolarHBondContact O-N 3.05Å; R305-R327 CarbonylContact O-C 3.52Å; R305-R327 VanDerWaalsContact O-CA 3.25Å; R305-R327 WeakPolarHBondContact O-CA 3.32Å; R305-I328 VanDerWaalsContact CZ-O 3.31Å; R305-I328 PolarHBondContact NE-O 3Å; R305-I328 PolarHBondContact NH2-O 2.93Å; R305-I328 WeakPolarHBondContact O-CG1 3.41Å; R305-I328 PolarHBondContact O-N 3.42Å; R305-V333 HydrophobicContact CB-CG2 4.22Å; R305-V333 HydrophobicContact CG-CG2 4Å
306S91.6Very high88.2Confident9 Ų962 Ų626%0.06332%0.321CS..BIsolated β-bridgetrans-63117.8172.81760000110.4N303 L304 Q308 L309 A310N303-S306 WeakPolarHBondContact O-CB 3.48Å; N303-S306 PolarHBondContact O-N 2.89Å; L304-S306 VanDerWaalsContact C-N 3.31Å; S306-Q308 PolarHBondContact O-N 3.47Å; S306-Q308 WeakPolarHBondContact OG-CB 3.43Å; S306-Q308 PolarHBondContact OG-N 3.44Å; S306-L309 WeakPolarHBondContact O-CB 3.46Å; S306-L309 PolarHBondContact O-N 3.13Å; S306-L309 VanDerWaalsContact O-N 3.12Å; S306-L309 PolarHBondContact OG-N 3.34Å; S306-A310 PolarHBondContact O-N 3.23Å
307L90.6Very high88Confident42 Ų4263.7 Ų63.722%0.2233%0.33CS..Hα-helixtrans-59.1-36.4172.6-18062.1000110.7R305 L309 A310 V311 I322 I326 I328R305-L307 PolarHBondContact O-N 3.05Å; L307-L309 VanDerWaalsContact C-N 3.31Å; L307-L309 PolarHBondContact O-N 3.35Å; L307-A310 PolarHBondContact O-N 2.92Å; L307-V311 HydrophobicContact CD1-CG2 3.81Å; L307-V311 HydrophobicContact CG-CG2 4.22Å; L307-V311 WeakPolarHBondContact O-CG2 3.47Å; L307-V311 PolarHBondContact O-N 3Å; L307-I322 HydrophobicContact CB-CG2 4.11Å; L307-I322 HydrophobicContact CD2-CD1 4.3Å; L307-I322 HydrophobicContact CD2-CG2 4.01Å; L307-I322 HydrophobicContact CG-CD1 4.08Å; L307-I322 HydrophobicContact CG-CG2 3.99Å; L307-I326 HydrophobicContact CB-CB 4.23Å; L307-I326 HydrophobicContact CB-CG2 3.87Å; L307-I326 HydrophobicContact CD2-CG2 3.84Å; L307-I326 PolarHBondContact N-O 2.74Å; L307-I328 HydrophobicContact CB-CG2 4Å; L307-I328 HydrophobicContact CD1-CG2 3.85Å; L307-I328 HydrophobicContact CG-CG2 4.37Å
308Q89.8Confident87.9Confident47 Ų4764.4 Ų64.422%0.2233%0.334CS..Hα-helixtrans-55.9-48.4175.6-163.9-170.248.800110.9S306 K312 G319 I322S306-Q308 PolarHBondContact O-N 3.47Å; S306-Q308 WeakPolarHBondContact OG-CB 3.43Å; S306-Q308 PolarHBondContact OG-N 3.44Å; Q308-K312 HydrophobicContact CG-CD 4.13Å; Q308-K312 HydrophobicContact CG-CG 4.43Å; Q308-K312 VanDerWaalsContact O-CB 3.26Å; Q308-K312 WeakPolarHBondContact O-CB 3.49Å; Q308-K312 VanDerWaalsContact O-CG 3.24Å; Q308-K312 WeakPolarHBondContact O-CG 3.47Å; Q308-K312 PolarHBondContact O-N 3.25Å; Q308-G319 WeakPolarHBondContact CG-O 3.49Å; Q308-I322 HydrophobicContact CB-CB 4.21Å; Q308-I322 HydrophobicContact CB-CG2 4.11Å; Q308-I322 VanDerWaalsContact CD-O 3.22Å; Q308-I322 HydrophobicContact CG-CB 4.22Å; Q308-I322 WeakPolarHBondContact CG-O 3.24Å; Q308-I322 PolarHBondContact NE2-O 3.21Å
309L87.2Confident87.6Confident60 Ų6062.5 Ų62.531%0.31431%0.314SS..Hα-helixtrans-62.8-50.3178.7-178.366.1000110.9I302 S306 L307 V311 K312 T313I302-L309 HydrophobicContact CG2-CD2 3.64Å; S306-L309 WeakPolarHBondContact O-CB 3.46Å; S306-L309 PolarHBondContact O-N 3.13Å; S306-L309 VanDerWaalsContact O-N 3.12Å; S306-L309 PolarHBondContact OG-N 3.34Å; L307-L309 VanDerWaalsContact C-N 3.31Å; L307-L309 PolarHBondContact O-N 3.35Å; L309-V311 VanDerWaalsContact C-N 3.28Å; L309-V311 PolarHBondContact O-N 3.33Å; L309-K312 PolarHBondContact O-N 2.95Å; L309-T313 PolarHBondContact O-N 2.75Å; L309-T313 PolarHBondContact O-OG1 2.94Å; L309-T313 VanDerWaalsContact O-OG1 3.08Å
310A85Confident87.5Confident16 Ų1661.1 Ų61.113%0.13232%0.318CS..Hα-helixtrans-59.1-37.6-177.800000113.2S306 L307 I328 F336S306-A310 PolarHBondContact O-N 3.23Å; L307-A310 PolarHBondContact O-N 2.92Å; A310-I328 HydrophobicContact CB-CD1 4.11Å; A310-F336 HydrophobicContact CB-CD2 3.92Å; A310-F336 HydrophobicContact CB-CE2 4.29Å; A310-F336 HydrophobicContact CB-CG 4.4Å
311V85.2Confident87.5Confident17 Ų1762.3 Ų62.310%0.10332%0.324CS..Hα-helixtrans-80.2-40.4178.5176.40000111.5L307 L309 T313 N314 F315 L318 I322L307-V311 HydrophobicContact CD1-CG2 3.81Å; L307-V311 HydrophobicContact CG-CG2 4.22Å; L307-V311 WeakPolarHBondContact O-CG2 3.47Å; L307-V311 PolarHBondContact O-N 3Å; L309-V311 VanDerWaalsContact C-N 3.28Å; L309-V311 PolarHBondContact O-N 3.33Å; V311-T313 PolarHBondContact O-N 3.17Å; V311-T313 VanDerWaalsContact O-N 3.16Å; V311-N314 PolarHBondContact O-N 2.7Å; V311-N314 VanDerWaalsContact O-N 3.16Å; V311-F315 HydrophobicContact CG1-CB 4Å; V311-F315 CarbonylContact O-C 3.55Å; V311-F315 WeakPolarHBondContact O-CA 3.47Å; V311-F315 PolarHBondContact O-N 3.32Å; V311-L318 HydrophobicContact CG1-CB 4.14Å; V311-L318 HydrophobicContact CG1-CD2 3.91Å; V311-L318 HydrophobicContact CG1-CG 3.97Å; V311-I322 HydrophobicContact CB-CD1 3.74Å; V311-I322 HydrophobicContact CG1-CD1 3.89Å; V311-I322 HydrophobicContact CG2-CD1 3.62Å
312K83.7Confident87.5Confident83 Ų8363 Ų6336%0.36133%0.327SS..Hα-helixtrans-57.5-31.2-178.8-85-175177.2175.80113.1Q308 L309 N314 G319Q308-K312 HydrophobicContact CG-CD 4.13Å; Q308-K312 HydrophobicContact CG-CG 4.43Å; Q308-K312 VanDerWaalsContact O-CB 3.26Å; Q308-K312 WeakPolarHBondContact O-CB 3.49Å; Q308-K312 VanDerWaalsContact O-CG 3.24Å; Q308-K312 WeakPolarHBondContact O-CG 3.47Å; Q308-K312 PolarHBondContact O-N 3.25Å; L309-K312 PolarHBondContact O-N 2.95Å; K312-N314 VanDerWaalsContact C-N 3.29Å; K312-N314 PolarHBondContact O-N 3.42Å; K312-G319 VanDerWaalsContact CE-O 3.29Å; K312-G319 WeakPolarHBondContact CE-O 3.47Å
313T77.1Confident87.5Confident84 Ų8462.3 Ų62.352%0.51533%0.327SS..THydrogen-bonded Turntrans-62.5-34.2-179.5-45.80000112.9L309 V311L309-T313 PolarHBondContact O-N 2.75Å; L309-T313 PolarHBondContact O-OG1 2.94Å; L309-T313 VanDerWaalsContact O-OG1 3.08Å; V311-T313 PolarHBondContact O-N 3.17Å; V311-T313 VanDerWaalsContact O-N 3.16Å
314N77.7Confident87.2Confident78 Ų7863.7 Ų63.742%0.41734%0.343SS..THydrogen-bonded Turntrans-108-29.4178.6-66-57000113.3V311 K312 Q340V311-N314 PolarHBondContact O-N 2.7Å; V311-N314 VanDerWaalsContact O-N 3.16Å; K312-N314 VanDerWaalsContact C-N 3.29Å; K312-N314 PolarHBondContact O-N 3.42Å; N314-Q340 PolarHBondContact ND2-NE2 3.25Å; N314-Q340 PolarHBondContact OD1-NE2 2.64Å
315F85.2Confident87.2Confident133 Ų13369.2 Ų69.258%0.58337%0.365SS*.  trans-134.774.9-173.4-56.5-76.4000109.7V311 L317 L318 G319V311-F315 HydrophobicContact CG1-CB 4Å; V311-F315 CarbonylContact O-C 3.55Å; V311-F315 WeakPolarHBondContact O-CA 3.47Å; V311-F315 PolarHBondContact O-N 3.32Å; F315-L317 VanDerWaalsContact C-N 3.29Å; F315-L317 PolarHBondContact O-N 3.04Å; F315-L318 HydrophobicContact CB-CB 4.09Å; F315-L318 PolarHBondContact O-N 3.27Å; F315-G319 PolarHBondContact O-N 3.37Å
316P85.1Confident87.2Confident92 Ų9269.1 Ų69.160%0.59737%0.369SS*.Hα-helixtrans-59.5-37.5-172.121.1-32.7000113.1S320P316-S320 PolarHBondContact O-N 3.31Å
317L88.2Confident87.4Confident134 Ų13472.5 Ų72.570%0.70238%0.38SS*.Hα-helixtrans-64.1-54.9177.8-166.5108.9000111.2F315 G319 S320 F321F315-L317 VanDerWaalsContact C-N 3.29Å; F315-L317 PolarHBondContact O-N 3.04Å; L317-G319 VanDerWaalsContact C-N 3.32Å; L317-G319 PolarHBondContact O-N 3.32Å; L317-S320 WeakPolarHBondContact O-CB 3.09Å; L317-S320 PolarHBondContact O-N 2.89Å; L317-S320 VanDerWaalsContact O-N 3.13Å; L317-S320 PolarHBondContact O-OG 3.24Å; L317-F321 HydrophobicContact CD2-CE2 4.36Å; L317-F321 HydrophobicContact CG-CE2 4.22Å; L317-F321 WeakPolarHBondContact O-CD2 3.37Å
318L88.6Confident87.5Confident101 Ų10171.1 Ų71.153%0.52937%0.373SS..Hα-helixtrans-60.3-44.9178.1-179.863.6000111.1V311 F315 S320 F321V311-L318 HydrophobicContact CG1-CB 4.14Å; V311-L318 HydrophobicContact CG1-CD2 3.91Å; V311-L318 HydrophobicContact CG1-CG 3.97Å; F315-L318 HydrophobicContact CB-CB 4.09Å; F315-L318 PolarHBondContact O-N 3.27Å; L318-S320 PolarHBondContact O-N 3.01Å; L318-F321 PolarHBondContact O-N 2.81Å; L318-F321 VanDerWaalsContact O-N 3.09Å
319G86.5Confident87.6Confident0 Ų072.2 Ų72.20%038%0.384CS..Hα-helixtrans-61.4-28.3178.400000112.9Q308 K312 F315 L317 F321 I322Q308-G319 WeakPolarHBondContact CG-O 3.49Å; K312-G319 VanDerWaalsContact CE-O 3.29Å; K312-G319 WeakPolarHBondContact CE-O 3.47Å; F315-G319 PolarHBondContact O-N 3.37Å; L317-G319 VanDerWaalsContact C-N 3.32Å; L317-G319 PolarHBondContact O-N 3.32Å; G319-F321 VanDerWaalsContact C-N 3.26Å; G319-F321 PolarHBondContact O-N 3.46Å; G319-I322 PolarHBondContact O-N 3.31Å
320S89.4Confident87.7Confident61 Ų6171.4 Ų71.443%0.42738%0.38SS..Hα-helixtrans-63.9-29.2175.377.30000113.7P316 L317 L318P316-S320 PolarHBondContact O-N 3.31Å; L317-S320 WeakPolarHBondContact O-CB 3.09Å; L317-S320 PolarHBondContact O-N 2.89Å; L317-S320 VanDerWaalsContact O-N 3.13Å; L317-S320 PolarHBondContact O-OG 3.24Å; L318-S320 PolarHBondContact O-N 3.01Å
321F91.8Very high87.9Confident157 Ų15774.2 Ų74.269%0.68940%0.399SS*.Hα-helixtrans-86.1-11.1179.8-65-74000113.9L317 L318 G319 P323L317-F321 HydrophobicContact CD2-CE2 4.36Å; L317-F321 HydrophobicContact CG-CE2 4.22Å; L317-F321 WeakPolarHBondContact O-CD2 3.37Å; L318-F321 PolarHBondContact O-N 2.81Å; L318-F321 VanDerWaalsContact O-N 3.09Å; G319-F321 VanDerWaalsContact C-N 3.26Å; G319-F321 PolarHBondContact O-N 3.46Å; F321-P323 WeakPolarHBondContact O-CD 3.25Å
322I91.5Very high88Confident25 Ų2576.3 Ų76.313%0.12841%0.409CS..SBendtrans-81.8127.2-179.1-61.4177.9000109.4L307 Q308 V311 G319 G324 I326L307-I322 HydrophobicContact CB-CG2 4.11Å; L307-I322 HydrophobicContact CD2-CD1 4.3Å; L307-I322 HydrophobicContact CD2-CG2 4.01Å; L307-I322 HydrophobicContact CG-CD1 4.08Å; L307-I322 HydrophobicContact CG-CG2 3.99Å; Q308-I322 HydrophobicContact CB-CB 4.21Å; Q308-I322 HydrophobicContact CB-CG2 4.11Å; Q308-I322 VanDerWaalsContact CD-O 3.22Å; Q308-I322 HydrophobicContact CG-CB 4.22Å; Q308-I322 WeakPolarHBondContact CG-O 3.24Å; Q308-I322 PolarHBondContact NE2-O 3.21Å; V311-I322 HydrophobicContact CB-CD1 3.74Å; V311-I322 HydrophobicContact CG1-CD1 3.89Å; V311-I322 HydrophobicContact CG2-CD1 3.62Å; G319-I322 PolarHBondContact O-N 3.31Å; I322-G324 PolarHBondContact O-N 3.41Å; I322-I326 HydrophobicContact CG2-CD1 4.29Å
323P90.5Very high88.2Confident55 Ų5572.8 Ų72.836%0.35739%0.394SS..  trans-61.1131.4175.4-22.531.5000112.4F321 F325 I326F321-P323 WeakPolarHBondContact O-CD 3.25Å; P323-F325 HydrophobicContact CB-CD1 3.77Å; P323-F325 HydrophobicContact CB-CD2 4.49Å; P323-F325 HydrophobicContact CB-CE1 3.34Å; P323-F325 HydrophobicContact CB-CE2 4.11Å; P323-F325 HydrophobicContact CB-CG 4.33Å; P323-F325 HydrophobicContact CB-CZ 3.52Å; P323-F325 HydrophobicContact CG-CE1 4.24Å; P323-F325 HydrophobicContact CG-CZ 4.08Å; P323-F325 PolarHBondContact O-N 3.01Å; P323-I326 HydrophobicContact CB-CD1 4.37Å; P323-I326 HydrophobicContact CB-CG1 4.3Å; P323-I326 HydrophobicContact CG-CD1 4.15Å; P323-I326 PolarHBondContact O-N 3.48Å; P323-I326 VanDerWaalsContact O-N 3.14Å
324G85.5Confident88.5Confident36 Ų3669.1 Ų69.137%0.37137%0.372SS..THydrogen-bonded Turntrans-66.2-5.6-176.500000115.2I322 R327I322-G324 PolarHBondContact O-N 3.41Å; G324-R327 PolarHBondContact O-NH1 3.29Å
325F88.9Confident88.8Confident158 Ų15870.3 Ų70.369%0.69337%0.371SS*.THydrogen-bonded Turntrans-91.7-10.6175.861.2-105.5000113.7P323 R327P323-F325 HydrophobicContact CB-CD1 3.77Å; P323-F325 HydrophobicContact CB-CD2 4.49Å; P323-F325 HydrophobicContact CB-CE1 3.34Å; P323-F325 HydrophobicContact CB-CE2 4.11Å; P323-F325 HydrophobicContact CB-CG 4.33Å; P323-F325 HydrophobicContact CB-CZ 3.52Å; P323-F325 HydrophobicContact CG-CE1 4.24Å; P323-F325 HydrophobicContact CG-CZ 4.08Å; P323-F325 PolarHBondContact O-N 3.01Å; F325-R327 VanDerWaalsContact C-NH1 3.34Å; F325-R327 PolarHBondContact O-N 3.2Å; F325-R327 PolarHBondContact O-NH1 2.89Å
326I92.9Very high88.6Confident64 Ų6466.9 Ų66.933%0.32836%0.356SS..  trans-70.9123178.1-60.7-179.7000108.8L307 I322 P323L307-I326 HydrophobicContact CB-CB 4.23Å; L307-I326 HydrophobicContact CB-CG2 3.87Å; L307-I326 HydrophobicContact CD2-CG2 3.84Å; L307-I326 PolarHBondContact N-O 2.74Å; I322-I326 HydrophobicContact CG2-CD1 4.29Å; P323-I326 HydrophobicContact CB-CD1 4.37Å; P323-I326 HydrophobicContact CB-CG1 4.3Å; P323-I326 HydrophobicContact CG-CD1 4.15Å; P323-I326 PolarHBondContact O-N 3.48Å; P323-I326 VanDerWaalsContact O-N 3.14Å
327R94.1Very high88.3Confident80 Ų8064.1 Ų64.130%0.30234%0.337SS..BIsolated β-bridgetrans-107.5139.2179.7-60.6-70171.5-93.42.6110.5D289 N303 R305 G324 F325D289-R327 IonicContact OD1-NH2 3.76Å; D289-R327 IonicContact OD2-CZ 3.33Å; D289-R327 IonicContact OD2-NE 3.05Å; D289-R327 PolarHBondContact OD2-NE 3.3Å; D289-R327 IonicContact OD2-NH2 2.76Å; D289-R327 PolarHBondContact OD2-NH2 3.12Å; N303-R327 VanDerWaalsContact CG-NE 3.32Å; N303-R327 PolarHBondContact ND2-NE 3.05Å; R305-R327 CarbonylContact O-C 3.52Å; R305-R327 VanDerWaalsContact O-CA 3.25Å; R305-R327 WeakPolarHBondContact O-CA 3.32Å; G324-R327 PolarHBondContact O-NH1 3.29Å; F325-R327 VanDerWaalsContact C-NH1 3.34Å; F325-R327 PolarHBondContact O-N 3.2Å; F325-R327 PolarHBondContact O-NH1 2.89Å
328I93.4Very high87.8Confident12 Ų1265 Ų656%0.06233%0.33CS..  trans-107.9155.9174.251.3167.1000112R305 L307 A310 L332 V333 F336R305-I328 VanDerWaalsContact CZ-O 3.31Å; R305-I328 PolarHBondContact NE-O 3Å; R305-I328 PolarHBondContact NH2-O 2.93Å; R305-I328 WeakPolarHBondContact O-CG1 3.41Å; R305-I328 PolarHBondContact O-N 3.42Å; L307-I328 HydrophobicContact CB-CG2 4Å; L307-I328 HydrophobicContact CD1-CG2 3.85Å; L307-I328 HydrophobicContact CG-CG2 4.37Å; A310-I328 HydrophobicContact CB-CD1 4.11Å; I328-L332 HydrophobicContact CB-CB 4.33Å; I328-L332 HydrophobicContact CB-CD2 3.92Å; I328-L332 HydrophobicContact CD1-CB 4.18Å; I328-L332 HydrophobicContact CD1-CD2 4.11Å; I328-L332 HydrophobicContact CD1-CG 4.07Å; I328-L332 HydrophobicContact CG2-CD2 3.81Å; I328-V333 HydrophobicContact CD1-CG2 3.73Å; I328-V333 HydrophobicContact CG1-CG2 3.77Å; I328-F336 HydrophobicContact CD1-CD2 3.91Å; I328-F336 HydrophobicContact CD1-CE2 3.91Å
329P92.4Very high86.5Confident71 Ų7169.1 Ų69.146%0.46134%0.339SS..  trans-55.5146.9171.8-2636.1000112.3S331 L332 V333P329-S331 PolarHBondContact O-N 3.38Å; P329-L332 WeakPolarHBondContact O-CA 2.76Å; P329-L332 WeakPolarHBondContact O-CB 3.1Å; P329-L332 PolarHBondContact O-N 3.12Å; P329-V333 PolarHBondContact O-N 3.37Å; P329-V333 VanDerWaalsContact O-N 3.13Å
330L88.6Confident85.1Confident42 Ų4273.1 Ų73.122%0.2236%0.358CS..Hα-helixtrans-58.9-34.2177.9-171.763.8000112.1W222 L283 L332 V333 T334W222-L330 HydrophobicContact CH2-CD2 4.03Å; W222-L330 HydrophobicContact CZ3-CD1 4.07Å; W222-L330 HydrophobicContact CZ3-CD2 3.79Å; W222-L330 HydrophobicContact CZ3-CG 4.31Å; L283-L330 HydrophobicContact CD1-CD1 3.95Å; L283-L330 HydrophobicContact CD1-CD2 4.05Å; L283-L330 HydrophobicContact CD2-CD1 3.92Å; L330-L332 PolarHBondContact O-N 2.92Å; L330-V333 HydrophobicContact CD1-CB 4.43Å; L330-V333 WeakPolarHBondContact O-CB 3.4Å; L330-V333 PolarHBondContact O-N 3.16Å; L330-T334 WeakPolarHBondContact O-CG2 3.24Å; L330-T334 PolarHBondContact O-N 3.28Å; L330-T334 PolarHBondContact O-OG1 3.01Å
331S88.9Confident84.9Confident76 Ų7673.8 Ų73.853%0.53135%0.354SS..Hα-helixtrans-56.4-39.7172.651.90000112.2P329 T334 Y335P329-S331 PolarHBondContact O-N 3.38Å; S331-T334 WeakPolarHBondContact CA-OG1 3.26Å; S331-T334 PolarHBondContact O-N 2.78Å; S331-T334 PolarHBondContact O-OG1 2.96Å; S331-Y335 WeakPolarHBondContact O-CB 3.22Å; S331-Y335 PolarHBondContact O-N 2.76Å
332L88.6Confident84.5Confident60 Ų6069.4 Ų69.431%0.31434%0.337SS..Hα-helixtrans-74.1-36.8178.4-167.364.1000112I328 P329 L330 T334 Y335 F336I328-L332 HydrophobicContact CB-CB 4.33Å; I328-L332 HydrophobicContact CB-CD2 3.92Å; I328-L332 HydrophobicContact CD1-CB 4.18Å; I328-L332 HydrophobicContact CD1-CD2 4.11Å; I328-L332 HydrophobicContact CD1-CG 4.07Å; I328-L332 HydrophobicContact CG2-CD2 3.81Å; P329-L332 WeakPolarHBondContact O-CA 2.76Å; P329-L332 WeakPolarHBondContact O-CB 3.1Å; P329-L332 PolarHBondContact O-N 3.12Å; L330-L332 PolarHBondContact O-N 2.92Å; L332-T334 VanDerWaalsContact C-N 3.33Å; L332-T334 PolarHBondContact O-N 3.29Å; L332-Y335 HydrophobicContact CD1-CD1 4.14Å; L332-Y335 WeakPolarHBondContact O-CB 3.15Å; L332-Y335 PolarHBondContact O-N 3.14Å; L332-F336 HydrophobicContact CD1-CD2 4.49Å; L332-F336 HydrophobicContact CD1-CE2 4Å; L332-F336 HydrophobicContact CD1-CZ 4.41Å; L332-F336 HydrophobicContact CD2-CE2 3.9Å; L332-F336 HydrophobicContact CG-CD2 4Å; L332-F336 HydrophobicContact CG-CE2 3.55Å; L332-F336 HydrophobicContact CG-CZ 4.37Å; L332-F336 WeakPolarHBondContact O-CD2 3Å; L332-F336 PolarHBondContact O-N 2.99Å
333V86.7Confident84.1Confident9 Ų971.8 Ų71.86%0.05535%0.348CS..Hα-helixtrans-56.8-49.5170.21790000110.1I180 R305 I328 P329 L330 Y335 F336 L337I180-V333 HydrophobicContact CD1-CG1 4.39Å; R305-V333 HydrophobicContact CB-CG2 4.22Å; R305-V333 HydrophobicContact CG-CG2 4Å; I328-V333 HydrophobicContact CD1-CG2 3.73Å; I328-V333 HydrophobicContact CG1-CG2 3.77Å; P329-V333 PolarHBondContact O-N 3.37Å; P329-V333 VanDerWaalsContact O-N 3.13Å; L330-V333 HydrophobicContact CD1-CB 4.43Å; L330-V333 WeakPolarHBondContact O-CB 3.4Å; L330-V333 PolarHBondContact O-N 3.16Å; V333-Y335 VanDerWaalsContact C-N 3.27Å; V333-Y335 PolarHBondContact O-N 3.08Å; V333-F336 PolarHBondContact O-N 3.16Å; V333-L337 HydrophobicContact CG1-CD1 3.89Å; V333-L337 WeakPolarHBondContact O-CG 3.46Å; V333-L337 PolarHBondContact O-N 3.35Å
334T84.7Confident83.8Confident8 Ų872.8 Ų72.85%0.04935%0.348CS..Hα-helixtrans-64.4-32.617959.50000112.6R183 I184 L330 S331 L332 R338R183-T334 HydrophobicContact CB-CG2 3.69Å; R183-T334 HydrophobicContact CG-CG2 4.22Å; I184-T334 HydrophobicContact CG2-CG2 4.29Å; L330-T334 WeakPolarHBondContact O-CG2 3.24Å; L330-T334 PolarHBondContact O-N 3.28Å; L330-T334 PolarHBondContact O-OG1 3.01Å; S331-T334 WeakPolarHBondContact CA-OG1 3.26Å; S331-T334 PolarHBondContact O-N 2.78Å; S331-T334 PolarHBondContact O-OG1 2.96Å; L332-T334 VanDerWaalsContact C-N 3.33Å; L332-T334 PolarHBondContact O-N 3.29Å; T334-R338 WeakPolarHBondContact O-CB 3.37Å; T334-R338 VanDerWaalsContact O-CG 3.24Å; T334-R338 WeakPolarHBondContact O-CG 3.42Å; T334-R338 PolarHBondContact O-N 2.97Å
335Y84.2Confident83.6Confident102 Ų10275.1 Ų75.140%0.435%0.346SS..Hα-helixtrans-63.8-47.8174.7174.4-93.3000111.7S331 L332 V333 L337 R338 R339S331-Y335 WeakPolarHBondContact O-CB 3.22Å; S331-Y335 PolarHBondContact O-N 2.76Å; L332-Y335 HydrophobicContact CD1-CD1 4.14Å; L332-Y335 WeakPolarHBondContact O-CB 3.15Å; L332-Y335 PolarHBondContact O-N 3.14Å; V333-Y335 VanDerWaalsContact C-N 3.27Å; V333-Y335 PolarHBondContact O-N 3.08Å; Y335-L337 VanDerWaalsContact C-N 3.34Å; Y335-L337 PolarHBondContact O-N 3.15Å; Y335-R338 PolarHBondContact O-N 3.35Å; Y335-R339 PolarHBondContact O-N 3.24Å; Y335-R339 PolarHBondContact OH-NE 3.32Å; Y335-R339 VanDerWaalsContact OH-NE 3.15Å; Y335-R339 PolarHBondContact OH-NH1 2.89Å; Y335-R339 VanDerWaalsContact OH-NH1 3.16Å; Y335-R339 PolarHBondContact OH-NH2 3.3Å
336F80.2Confident83.3Confident61 Ų6169.6 Ų69.627%0.26832%0.323SS..Hα-helixtrans-62-42177.6-75-60.4000112.1A310 I328 L332 V333 R338 R339A310-F336 HydrophobicContact CB-CD2 3.92Å; A310-F336 HydrophobicContact CB-CE2 4.29Å; A310-F336 HydrophobicContact CB-CG 4.4Å; I328-F336 HydrophobicContact CD1-CD2 3.91Å; I328-F336 HydrophobicContact CD1-CE2 3.91Å; L332-F336 HydrophobicContact CD1-CD2 4.49Å; L332-F336 HydrophobicContact CD1-CE2 4Å; L332-F336 HydrophobicContact CD1-CZ 4.41Å; L332-F336 HydrophobicContact CD2-CE2 3.9Å; L332-F336 HydrophobicContact CG-CD2 4Å; L332-F336 HydrophobicContact CG-CE2 3.55Å; L332-F336 HydrophobicContact CG-CZ 4.37Å; L332-F336 WeakPolarHBondContact O-CD2 3Å; L332-F336 PolarHBondContact O-N 2.99Å; V333-F336 PolarHBondContact O-N 3.16Å; F336-R338 PolarHBondContact O-N 3.3Å; F336-R339 PolarHBondContact O-N 3.16Å
337L79.8Confident82.6Confident35 Ų3570 Ų7018%0.18332%0.323CS..Hα-helixtrans-71.6-26.6179.7-66.3172.4000113.5I180 I184 K245 V333 Y335I180-L337 HydrophobicContact CD1-CD1 3.29Å; I180-L337 HydrophobicContact CG1-CD1 4.27Å; I184-L337 HydrophobicContact CD1-CB 3.76Å; I184-L337 HydrophobicContact CD1-CD1 3.83Å; I184-L337 HydrophobicContact CD1-CG 4.38Å; I184-L337 HydrophobicContact CG2-CB 4.31Å; K245-L337 WeakPolarHBondContact CD-O 3.18Å; V333-L337 HydrophobicContact CG1-CD1 3.89Å; V333-L337 WeakPolarHBondContact O-CG 3.46Å; V333-L337 PolarHBondContact O-N 3.35Å; Y335-L337 VanDerWaalsContact C-N 3.34Å; Y335-L337 PolarHBondContact O-N 3.15Å
338R76.7Confident81.7Confident151 Ų15169.2 Ų69.257%0.5732%0.324SS*.Hα-helixtrans-72.7-35.2174.5-77174.5-176.8-166.50.4112.6R183 I184 K245 T334 Y335 F336R183-R338 PolarHBondContact O-NE 3.29Å; R183-R338 PolarHBondContact O-NH2 3.13Å; I184-R338 HydrophobicContact CB-CG 4.47Å; I184-R338 HydrophobicContact CG2-CG 3.89Å; K245-R338 PolarHBondContact NZ-O 3.09Å; T334-R338 WeakPolarHBondContact O-CB 3.37Å; T334-R338 VanDerWaalsContact O-CG 3.24Å; T334-R338 WeakPolarHBondContact O-CG 3.42Å; T334-R338 PolarHBondContact O-N 2.97Å; Y335-R338 PolarHBondContact O-N 3.35Å; F336-R338 PolarHBondContact O-N 3.3Å
339R62.3Low80.8Confident189 Ų18974 Ų7471%0.71335%0.346SS*.Hα-helixtrans-80-13.8-169.8-96-163.8168-164.6-0.5116.6Y335 F336Y335-R339 PolarHBondContact O-N 3.24Å; Y335-R339 PolarHBondContact OH-NE 3.32Å; Y335-R339 VanDerWaalsContact OH-NE 3.15Å; Y335-R339 PolarHBondContact OH-NH1 2.89Å; Y335-R339 VanDerWaalsContact OH-NH1 3.16Å; Y335-R339 PolarHBondContact OH-NH2 3.3Å; F336-R339 PolarHBondContact O-N 3.16Å
340Q56Low79.7Confident84 Ų8474.3 Ų74.339%0.39334%0.336SS..  trans-83.10-178.1-70.1-176.7-42.800112.8K245 N314K245-Q340 HydrophobicContact CD-CB 3.93Å; K245-Q340 WeakPolarHBondContact CD-OXT 3.49Å; K245-Q340 WeakPolarHBondContact CE-OXT 3.14Å; K245-Q340 HydrophobicContact CG-CB 4.18Å; K245-Q340 VanDerWaalsContact CG-OXT 3.22Å; K245-Q340 WeakPolarHBondContact CG-OXT 3.29Å; K245-Q340 PolarHBondContact NZ-O 2.86Å; K245-Q340 PolarHBondContact NZ-OXT 3.41Å; N314-Q340 PolarHBondContact ND2-NE2 3.25Å; N314-Q340 PolarHBondContact OD1-NE2 2.64Å

Retrieved 340 of 340 residues in 520.4 ms (Link to these results)

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