A0A5K4FFJ6_SCHMA Loading...

TPR_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FFJ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 398 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
1M66.6Low85.6Confident234 Ų234102.1 Ų102.1100%1.15351%0.506SS*.  0139.70-73.8-178.9-172.800107.7
2L81.6Confident86.2Confident77 Ų7797.5 Ų97.540%0.40348%0.482SS..PPolyproline II helixtrans-89.3147.5172.2-64167.8000109.4V43 K45 P46 I48L2-V43 HydrophobicContact CD1-CG1 4.02Å; L2-V43 HydrophobicContact CD2-CG1 4.32Å; L2-K45 HydrophobicContact CD2-CG 4.19Å; L2-P46 CarbonylContact C-O 3.58Å; L2-P46 WeakPolarHBondContact CA-O 3.2Å; L2-P46 WeakPolarHBondContact CB-O 3.45Å; L2-P46 WeakPolarHBondContact CD2-O 3.46Å; L2-I48 HydrophobicContact CB-CB 4Å; L2-I48 HydrophobicContact CB-CG2 3.51Å; L2-I48 HydrophobicContact CD1-CB 4.1Å; L2-I48 HydrophobicContact CD1-CD1 4Å; L2-I48 HydrophobicContact CD1-CG2 4.35Å
3I84.3Confident86.4Confident91 Ų9194.8 Ų94.847%0.46747%0.471SS..EExtended strand (participates in β ladder)trans-95.9119-179.8-59173.1000108.4I5 P46 Y47 I48I3-I5 PolarHBondContact O-N 3.14Å; I3-P46 HydrophobicContact CD1-CG 4.42Å; I3-P46 PolarHBondContact N-O 3.49Å; I3-Y47 HydrophobicContact CB-CD1 3.8Å; I3-Y47 HydrophobicContact CB-CE1 4.17Å; I3-Y47 HydrophobicContact CD1-CE1 4.13Å; I3-Y47 HydrophobicContact CG2-CD1 3.96Å; I3-Y47 HydrophobicContact CG2-CE1 4.09Å; I3-Y47 CarbonylContact O-C 3.44Å; I3-Y47 VanDerWaalsContact O-CA 3.29Å; I3-Y47 WeakPolarHBondContact O-CA 3.43Å; I3-I48 PolarHBondContact O-N 3.37Å
4N86.5Confident86.6Confident98 Ų9896.3 Ų96.352%0.52448%0.48SS..EExtended strand (participates in β ladder)trans-68.9124.8178.2-75-9.8000110.8T6 I48N4-T6 PolarHBondContact O-N 3Å; N4-I48 CarbonylContact C-O 3.51Å; N4-I48 VanDerWaalsContact CA-O 3.28Å; N4-I48 WeakPolarHBondContact CA-O 3.39Å; N4-I48 WeakPolarHBondContact OD1-CG2 3.48Å
5I85.7Confident86.9Confident11 Ų1193.2 Ų93.26%0.05647%0.472CS..  trans-76.5115.4173.9-58.5172.4000108.3I3 N7 V21 P22 Y47 I48 F49I3-I5 PolarHBondContact O-N 3.14Å; I5-N7 WeakPolarHBondContact CG2-OD1 3.18Å; I5-V21 HydrophobicContact CB-CG1 4.43Å; I5-V21 HydrophobicContact CD1-CG1 3.86Å; I5-V21 HydrophobicContact CG2-CG1 3.93Å; I5-P22 HydrophobicContact CG2-CG 4.18Å; I5-Y47 HydrophobicContact CG1-CD1 4.39Å; I5-Y47 HydrophobicContact CG1-CG 4.4Å; I5-I48 PolarHBondContact N-O 3.01Å; I5-F49 HydrophobicContact CB-CB 4.27Å; I5-F49 HydrophobicContact CB-CD2 4.42Å; I5-F49 HydrophobicContact CD1-CB 4.24Å
6T84.7Confident87.3Confident118 Ų11889.1 Ų89.172%0.72445%0.452SS*.  trans-107.2-16.3179.254.40000113.3N4 F8N4-T6 PolarHBondContact O-N 3Å; T6-F8 VanDerWaalsContact C-N 3.27Å; T6-F8 WeakPolarHBondContact O-CD1 3.48Å; T6-F8 PolarHBondContact O-N 3.16Å
7N87Confident87.6Confident85 Ų8583.9 Ų83.946%0.45543%0.425SS..  trans-87.840.9-177.360.6-26.9000113.3I5 P22 H24I5-N7 WeakPolarHBondContact CG2-OD1 3.18Å; N7-P22 WeakPolarHBondContact ND2-CG 3.43Å; N7-P22 WeakPolarHBondContact O-CD 3.44Å; N7-P22 WeakPolarHBondContact O-CG 3.35Å; N7-P22 WeakPolarHBondContact OD1-CG 3.37Å; N7-H24 PolarHBondContact ND2-NE2 3.36Å
8F89.2Confident87.8Confident54 Ų5482.2 Ų82.224%0.23742%0.417CS..  trans-82.5155.3175.364.5-84.7000111.2T6 L19 I20 V21 F49 L86 I87T6-F8 VanDerWaalsContact C-N 3.27Å; T6-F8 WeakPolarHBondContact O-CD1 3.48Å; T6-F8 PolarHBondContact O-N 3.16Å; F8-L19 HydrophobicContact CB-CD1 4.22Å; F8-L19 HydrophobicContact CD2-CD1 3.66Å; F8-L19 HydrophobicContact CE2-CD1 4.49Å; F8-L19 HydrophobicContact CG-CD1 4.28Å; F8-I20 WeakPolarHBondContact CA-O 3.5Å; F8-V21 HydrophobicContact CB-CG2 4.28Å; F8-F49 HydrophobicContact CB-CE2 4Å; F8-F49 HydrophobicContact CD1-CD2 4.27Å; F8-F49 AromaticContact CD1-CE2 3.5Å; F8-F49 HydrophobicContact CD1-CE2 3.5Å; F8-F49 HydrophobicContact CD1-CZ 4.4Å; F8-F49 HydrophobicContact CD2-CE2 4.3Å; F8-F49 HydrophobicContact CD2-CZ 4.47Å; F8-F49 HydrophobicContact CE1-CE2 4.03Å; F8-F49 AromaticContact CG-CE2 3.66Å; F8-F49 HydrophobicContact CG-CE2 3.66Å; F8-F49 HydrophobicContact CG-CZ 4.23Å; F8-L86 HydrophobicContact CE2-CD2 4.06Å; F8-I87 HydrophobicContact CE1-CD1 4.49Å; F8-I87 HydrophobicContact CE2-CD1 4.49Å; F8-I87 HydrophobicContact CZ-CD1 3.72Å
9R91.6Very high88.1Confident196 Ų19677.9 Ų77.974%0.7440%0.396SS*.EExtended strand (participates in β ladder)trans-121144173.4-64-178.8-178.8179.60.3108.7I20R9-I20 HydrophobicContact CB-CB 4.44Å; R9-I20 PolarHBondContact N-O 3.37Å; R9-I20 PolarHBondContact O-N 2.66Å
10W93Very high88.3Confident89 Ų8977.5 Ų77.534%0.33739%0.393SS..EExtended strand (participates in β ladder)trans-140150173.770.4-79.9000110.2E12 V17 D18 L19 L86W10-E12 HydrophobicContact CE3-CB 4.32Å; W10-E12 HydrophobicContact CH2-CG 4.43Å; W10-E12 HydrophobicContact CZ3-CB 3.82Å; W10-E12 HydrophobicContact CZ3-CG 3.72Å; W10-V17 HydrophobicContact CE3-CG1 4.28Å; W10-D18 CarbonylContact C-O 3.49Å; W10-D18 WeakPolarHBondContact CA-O 3.37Å; W10-D18 WeakPolarHBondContact CB-O 3.39Å; W10-L19 HydrophobicContact CB-CB 4.48Å; W10-L19 HydrophobicContact CB-CD1 4.1Å; W10-L86 HydrophobicContact CB-CD2 3.99Å; W10-L86 HydrophobicContact CD2-CB 3.94Å; W10-L86 HydrophobicContact CD2-CD2 4.26Å; W10-L86 HydrophobicContact CE3-CB 4.32Å; W10-L86 HydrophobicContact CG-CB 4.31Å; W10-L86 HydrophobicContact CG-CD2 3.8Å; W10-L86 HydrophobicContact CZ2-CB 4.18Å
11C91.4Very high88.4Confident70 Ų7073.8 Ų73.847%0.47338%0.375SS..EExtended strand (participates in β ladder)trans-133.7152.9167.351.60000109.2D18C11-D18 PolarHBondContact N-O 3.13Å; C11-D18 PolarHBondContact O-N 3.11Å
12E92.4Very high89.5Confident47 Ų4764 Ų6422%0.2233%0.329CS..EExtended strand (participates in β ladder)trans-124.7149.8176.163.1173.8156.900111.2W10 V17 K77 L82 W83 N84W10-E12 HydrophobicContact CE3-CB 4.32Å; W10-E12 HydrophobicContact CH2-CG 4.43Å; W10-E12 HydrophobicContact CZ3-CB 3.82Å; W10-E12 HydrophobicContact CZ3-CG 3.72Å; E12-V17 HydrophobicContact CB-CG2 4.3Å; E12-K77 IonicContact OE2-NZ 3.62Å; E12-K77 PolarHBondContact OE2-NZ 3.17Å; E12-L82 HydrophobicContact CG-CD2 4.18Å; E12-W83 PolarHBondContact OE1-N 2.78Å; E12-W83 WeakPolarHBondContact OE2-CB 3.44Å; E12-W83 PolarHBondContact OE2-N 2.96Å; E12-N84 WeakPolarHBondContact OE1-CA 3.33Å; E12-N84 PolarHBondContact OE1-N 2.94Å
13N89.1Confident89.5Confident63 Ų6360.4 Ų60.434%0.33731%0.31SS..  trans-117.8-174.616372.838.4000107.9S15 D16 K77N13-S15 VanDerWaalsContact C-N 3.29Å; N13-S15 PolarHBondContact O-N 3.09Å; N13-S15 WeakPolarHBondContact OD1-CA 3.28Å; N13-S15 PolarHBondContact OD1-N 3.18Å; N13-S15 PolarHBondContact OD1-OG 3.48Å; N13-D16 PolarHBondContact N-O 2.93Å; N13-D16 PolarHBondContact ND2-OD2 3.16Å; N13-D16 WeakPolarHBondContact OD1-CA 3.14Å; N13-D16 PolarHBondContact OD1-N 3.45Å; N13-D16 PolarHBondContact OD1-O 3.44Å; N13-D16 PolarHBondContact OD1-OD2 3.49Å; N13-K77 PolarHBondContact O-NZ 2.96Å
14L89.8Confident89.3Confident115 Ų11560.3 Ų60.360%0.60231%0.307SS*.SBendtrans-63.5-33179.3-81.8156.7000113.1A80 E81 L82L14-A80 CarbonylContact O-C 3.31Å; L14-A80 VanDerWaalsContact O-C 3.31Å; L14-A80 WeakPolarHBondContact O-CA 3.41Å; L14-E81 PolarHBondContact O-N 3.29Å; L14-L82 HydrophobicContact CD2-CG 4.41Å
15S91.1Very high88.7Confident50 Ų5058.1 Ų58.135%0.3531%0.308SS..SBendtrans-102.5-27.2-173.845.80000115N13 K77N13-S15 VanDerWaalsContact C-N 3.29Å; N13-S15 PolarHBondContact O-N 3.09Å; N13-S15 WeakPolarHBondContact OD1-CA 3.28Å; N13-S15 PolarHBondContact OD1-N 3.18Å; N13-S15 PolarHBondContact OD1-OG 3.48Å; S15-K77 VanDerWaalsContact O-CB 3.23Å; S15-K77 WeakPolarHBondContact O-CB 3.31Å; S15-K77 WeakPolarHBondContact O-CG 3.17Å; S15-K77 PolarHBondContact O-N 2.91Å
16D92.3Very high88.2Confident28 Ų2860.3 Ų60.315%0.1532%0.319CS..EExtended strand (participates in β ladder)trans-141.5158.6-162.9-39.5-60.5000111.1N13 L75 K76N13-D16 PolarHBondContact N-O 2.93Å; N13-D16 PolarHBondContact ND2-OD2 3.16Å; N13-D16 WeakPolarHBondContact OD1-CA 3.14Å; N13-D16 PolarHBondContact OD1-N 3.45Å; N13-D16 PolarHBondContact OD1-O 3.44Å; N13-D16 PolarHBondContact OD1-OD2 3.49Å; D16-L75 CarbonylContact C-O 3.41Å; D16-L75 VanDerWaalsContact CA-O 3.27Å; D16-L75 WeakPolarHBondContact CA-O 3.49Å; D16-K76 WeakPolarHBondContact OD1-CG 3.35Å
17V92.5Very high87.7Confident0 Ų057.5 Ų57.50%031%0.305CS..EExtended strand (participates in β ladder)trans-128.3120.3174.9179.90000107.8W10 E12 L75 K77 W83 L86W10-V17 HydrophobicContact CE3-CG1 4.28Å; E12-V17 HydrophobicContact CB-CG2 4.3Å; V17-L75 HydrophobicContact CB-CB 4.34Å; V17-L75 PolarHBondContact N-O 3.45Å; V17-L75 WeakPolarHBondContact O-CB 3.41Å; V17-L75 PolarHBondContact O-N 3.16Å; V17-K77 HydrophobicContact CG2-CD 4.22Å; V17-K77 HydrophobicContact CG2-CG 4.02Å; V17-W83 HydrophobicContact CG2-CD2 4.3Å; V17-W83 HydrophobicContact CG2-CE3 4.01Å; V17-W83 HydrophobicContact CG2-CH2 4.21Å; V17-W83 HydrophobicContact CG2-CZ2 4.48Å; V17-W83 HydrophobicContact CG2-CZ3 3.96Å; V17-L86 HydrophobicContact CG1-CD1 3.73Å
18D92.1Very high87.1Confident54 Ų5454.3 Ų54.329%0.28929%0.29SS..EExtended strand (participates in β ladder)trans-97122.9172.8-66.3-41.4000108.9W10 C11 F73 N74W10-D18 CarbonylContact C-O 3.49Å; W10-D18 WeakPolarHBondContact CA-O 3.37Å; W10-D18 WeakPolarHBondContact CB-O 3.39Å; C11-D18 PolarHBondContact N-O 3.13Å; C11-D18 PolarHBondContact O-N 3.11Å; D18-F73 CarbonylContact C-O 3.09Å; D18-F73 VanDerWaalsContact CA-O 3.31Å; D18-F73 WeakPolarHBondContact CA-O 3.23Å; D18-N74 PolarHBondContact OD1-ND2 2.87Å
19L92.3Very high86.4Confident1 Ų156 Ų561%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-123.4122.6-18016571.9000109.5F8 W10 V21 F49 F73 L86F8-L19 HydrophobicContact CB-CD1 4.22Å; F8-L19 HydrophobicContact CD2-CD1 3.66Å; F8-L19 HydrophobicContact CE2-CD1 4.49Å; F8-L19 HydrophobicContact CG-CD1 4.28Å; W10-L19 HydrophobicContact CB-CB 4.48Å; W10-L19 HydrophobicContact CB-CD1 4.1Å; L19-V21 HydrophobicContact CD1-CG2 4.19Å; L19-V21 HydrophobicContact CD2-CG2 4.37Å; L19-V21 HydrophobicContact CG-CG2 4.03Å; L19-F49 HydrophobicContact CD1-CZ 4.14Å; L19-F49 HydrophobicContact CD2-CE1 3.69Å; L19-F49 HydrophobicContact CD2-CZ 3.93Å; L19-F73 HydrophobicContact CB-CB 3.96Å; L19-F73 HydrophobicContact CD2-CB 4.42Å; L19-F73 HydrophobicContact CD2-CD2 4.11Å; L19-F73 HydrophobicContact CD2-CG 4.34Å; L19-F73 HydrophobicContact CG-CB 4.43Å; L19-F73 HydrophobicContact CG-CD2 4.22Å; L19-F73 PolarHBondContact N-O 3.48Å; L19-F73 PolarHBondContact O-N 2.94Å; L19-L86 HydrophobicContact CD1-CD2 3.97Å
20I92.7Very high85.8Confident68 Ų6853.3 Ų53.335%0.34931%0.309SS..EExtended strand (participates in β ladder)trans-114.6113.4-174.1-57.9-179.3000108.3F8 R9 V70F8-I20 WeakPolarHBondContact CA-O 3.5Å; R9-I20 HydrophobicContact CB-CB 4.44Å; R9-I20 PolarHBondContact N-O 3.37Å; R9-I20 PolarHBondContact O-N 2.66Å; I20-V70 HydrophobicContact CG2-CG1 3.33Å
21V90.7Very high85.4Confident0 Ų049.9 Ų49.90%030%0.3CS..EExtended strand (participates in β ladder)trans-113.9117.2-177.6-176.20000109.7I5 F8 L19 L23 F49 V70 A71 F73I5-V21 HydrophobicContact CB-CG1 4.43Å; I5-V21 HydrophobicContact CD1-CG1 3.86Å; I5-V21 HydrophobicContact CG2-CG1 3.93Å; F8-V21 HydrophobicContact CB-CG2 4.28Å; L19-V21 HydrophobicContact CD1-CG2 4.19Å; L19-V21 HydrophobicContact CD2-CG2 4.37Å; L19-V21 HydrophobicContact CG-CG2 4.03Å; V21-L23 PolarHBondContact O-N 3.33Å; V21-F49 HydrophobicContact CG1-CB 3.8Å; V21-F49 HydrophobicContact CG1-CD1 4.41Å; V21-F49 HydrophobicContact CG1-CD2 4.15Å; V21-F49 HydrophobicContact CG1-CG 3.85Å; V21-F49 HydrophobicContact CG2-CD1 3.81Å; V21-F49 HydrophobicContact CG2-CD2 4.24Å; V21-F49 HydrophobicContact CG2-CE1 3.91Å; V21-F49 HydrophobicContact CG2-CE2 4.32Å; V21-F49 HydrophobicContact CG2-CG 3.97Å; V21-F49 HydrophobicContact CG2-CZ 4.15Å; V21-V70 WeakPolarHBondContact O-CA 3.4Å; V21-A71 HydrophobicContact CB-CB 4.35Å; V21-A71 PolarHBondContact N-O 2.73Å; V21-A71 PolarHBondContact O-N 3.44Å; V21-F73 HydrophobicContact CG2-CD2 4.32Å; V21-F73 HydrophobicContact CG2-CE2 4.22Å
22P88.6Confident85.2Confident30 Ų3051.6 Ų51.620%0.19530%0.304CS..EExtended strand (participates in β ladder)trans-73.3127.4179.428.4-33.1000111.8I5 N7 H24I5-P22 HydrophobicContact CG2-CG 4.18Å; N7-P22 WeakPolarHBondContact ND2-CG 3.43Å; N7-P22 WeakPolarHBondContact O-CD 3.44Å; N7-P22 WeakPolarHBondContact O-CG 3.35Å; N7-P22 WeakPolarHBondContact OD1-CG 3.37Å; P22-H24 PolarHBondContact O-CE1 2.99Å; P22-H24 PolarHBondContact O-ND1 3.08Å; P22-H24 VanDerWaalsContact O-ND1 3.11Å
23L82.5Confident85.1Confident1 Ų152 Ų521%0.00531%0.31CS..  trans-93.52-178.9-57.8-177.3000113.7V21 G25 I26 V42 V44 D69 A71V21-L23 PolarHBondContact O-N 3.33Å; L23-G25 VanDerWaalsContact C-N 3.29Å; L23-G25 PolarHBondContact O-N 2.79Å; L23-I26 PolarHBondContact O-N 3.34Å; L23-V42 HydrophobicContact CD2-CG1 4.01Å; L23-V44 HydrophobicContact CD1-CG2 4.46Å; L23-V44 HydrophobicContact CD2-CG2 3.92Å; L23-D69 PolarHBondContact N-O 3.29Å; L23-A71 HydrophobicContact CD1-CB 4.17Å; L23-A71 HydrophobicContact CD2-CB 4.02Å; L23-A71 HydrophobicContact CG-CB 4.22Å
24H80.1Confident85.2Confident88 Ų8850.3 Ų50.341%0.40730%0.3SS..THydrogen-bonded Turntrans56.835.9174.8-57.278.8000114.1N7 P22 I26 Y47N7-H24 PolarHBondContact ND2-NE2 3.36Å; P22-H24 PolarHBondContact O-CE1 2.99Å; P22-H24 PolarHBondContact O-ND1 3.08Å; P22-H24 VanDerWaalsContact O-ND1 3.11Å; H24-I26 PolarHBondContact O-N 3.25Å; H24-Y47 HydrophobicContact CB-CE2 3.9Å
25G73.8Confident85.3Confident52 Ų5245.9 Ų45.954%0.53628%0.277SS..THydrogen-bonded Turntrans77.712.3173.600000115.8L23 D69L23-G25 VanDerWaalsContact C-N 3.29Å; L23-G25 PolarHBondContact O-N 2.79Å; G25-D69 WeakPolarHBondContact CA-OD1 3.44Å
26I74.5Confident85.4Confident57 Ų5743.5 Ų43.529%0.29226%0.261SS..  trans-89.1131.3177.2-60170.3000109.5L23 H24 A28 V44 Y47L23-I26 PolarHBondContact O-N 3.34Å; H24-I26 PolarHBondContact O-N 3.25Å; I26-A28 PolarHBondContact O-N 3.27Å; I26-V44 HydrophobicContact CB-CG1 3.58Å; I26-V44 HydrophobicContact CD1-CG1 4.17Å; I26-V44 HydrophobicContact CG1-CG1 4.49Å; I26-V44 HydrophobicContact CG2-CG1 3.35Å; I26-Y47 HydrophobicContact CD1-CD2 3.68Å; I26-Y47 HydrophobicContact CD1-CE2 3.61Å
27S74.1Confident85.3Confident60 Ų6043.7 Ų43.742%0.4226%0.264SS..  trans-50.2127.9179.6-178.70000112.3S29S27-S29 PolarHBondContact O-N 2.97Å; S27-S29 VanDerWaalsContact O-N 3.11Å; S27-S29 PolarHBondContact OG-N 3.31Å; S27-S29 PolarHBondContact OG-OG 3.08Å
28A74.7Confident85.2Confident18 Ų1847.9 Ų47.915%0.14928%0.284CS..G310 helixtrans-63.2-12.3177.100000114.4I26 N30 A31 L66I26-A28 PolarHBondContact O-N 3.27Å; A28-N30 PolarHBondContact O-N 3.3Å; A28-A31 WeakPolarHBondContact O-CB 3.2Å; A28-A31 PolarHBondContact O-N 2.61Å; A28-L66 HydrophobicContact CB-CB 3.87Å
29S75.8Confident85.2Confident90 Ų9045.6 Ų45.663%0.62927%0.271SS*.G310 helixtrans-56.5-34-175.752.30000114.2S27S27-S29 PolarHBondContact O-N 2.97Å; S27-S29 VanDerWaalsContact O-N 3.11Å; S27-S29 PolarHBondContact OG-N 3.31Å; S27-S29 PolarHBondContact OG-OG 3.08Å
30N77.2Confident85.2Confident139 Ų13945.6 Ų45.674%0.74327%0.271SS*.G310 helixtrans-110.825.9-178-66.7-23.5000112.5A28A28-N30 PolarHBondContact O-N 3.3Å
31A85Confident85.2Confident17 Ų1745.6 Ų45.614%0.1427%0.268CS..  trans-80.4117.6178.900000111.2A28 T33 V43 V44 L66A28-A31 WeakPolarHBondContact O-CB 3.2Å; A28-A31 PolarHBondContact O-N 2.61Å; A31-T33 HydrophobicContact CB-CG2 4.32Å; A31-V43 WeakPolarHBondContact CA-O 3.32Å; A31-V44 HydrophobicContact CB-CG2 3.6Å; A31-L66 HydrophobicContact CB-CD1 4.21Å
32D87.5Confident85.2Confident105 Ų10545.6 Ų45.656%0.56127%0.269SS*.EExtended strand (participates in β ladder)trans-84.8119170.5-65.6-35000108.9V42 V43D32-V42 CarbonylContact O-C 3.56Å; D32-V42 WeakPolarHBondContact O-CA 3.49Å; D32-V43 HydrophobicContact CB-CB 4.16Å; D32-V43 PolarHBondContact N-O 3.43Å; D32-V43 PolarHBondContact O-N 3.05Å
33T90.1Very high85.3Confident57 Ų5744.6 Ų44.635%0.3526%0.262SS..EExtended strand (participates in β ladder)trans-123.2141.4-175.762.80000110.8A31 K41 V42 L64 L66A31-T33 HydrophobicContact CB-CG2 4.32Å; T33-K41 WeakPolarHBondContact CA-O 3.37Å; T33-V42 HydrophobicContact CG2-CG1 4.3Å; T33-V42 HydrophobicContact CG2-CG2 4.26Å; T33-L64 HydrophobicContact CG2-CD2 3.75Å; T33-L66 HydrophobicContact CG2-CD1 4.04Å; T33-L66 HydrophobicContact CG2-CD2 4.18Å
34L91.2Very high85.5Confident26 Ų2644.8 Ų44.814%0.13626%0.263CS..EExtended strand (participates in β ladder)trans-137.9122.1178-17969.9000108.5T36 Y39 V40 K41 H108L34-T36 HydrophobicContact CD1-CG2 4.05Å; L34-T36 HydrophobicContact CG-CG2 4.09Å; L34-Y39 HydrophobicContact CD2-CD1 4.06Å; L34-Y39 HydrophobicContact CD2-CE1 4.13Å; L34-V40 CarbonylContact O-C 3.49Å; L34-V40 WeakPolarHBondContact O-CA 3.42Å; L34-K41 HydrophobicContact CB-CB 4.19Å; L34-K41 PolarHBondContact N-O 3.05Å; L34-K41 PolarHBondContact O-N 3.41Å; L34-H108 HydrophobicContact CD1-CB 3.63Å; L34-H108 VanDerWaalsContact CD1-CG 3.43Å
35I92.3Very high85.8Confident22 Ų2248.3 Ų48.311%0.11328%0.277CS..EExtended strand (participates in β ladder)trans-124.7126.2174.8-56.2172.3000107.3I57 V59 L64 F73 L75 R111I35-I57 HydrophobicContact CG2-CD1 3.88Å; I35-V59 HydrophobicContact CG2-CG1 4.31Å; I35-L64 HydrophobicContact CD1-CB 3.7Å; I35-L64 HydrophobicContact CD1-CD2 4.06Å; I35-L64 HydrophobicContact CD1-CG 4.45Å; I35-F73 HydrophobicContact CD1-CD1 3.8Å; I35-F73 HydrophobicContact CD1-CE1 3.67Å; I35-F73 HydrophobicContact CG1-CD1 4.12Å; I35-F73 HydrophobicContact CG1-CE1 3.71Å; I35-L75 HydrophobicContact CG2-CD2 4.27Å; I35-R111 PolarHBondContact O-NH2 2.83Å
36T92.1Very high86.4Confident1 Ų148.5 Ų48.51%0.00627%0.269CS..  trans-140.4172.3-179.560.30000109L34 Q38 Y39 I57 V59 A104 H108L34-T36 HydrophobicContact CD1-CG2 4.05Å; L34-T36 HydrophobicContact CG-CG2 4.09Å; T36-Q38 PolarHBondContact O-N 3.35Å; T36-Q38 VanDerWaalsContact O-N 3.12Å; T36-Y39 PolarHBondContact N-O 3.37Å; T36-Y39 WeakPolarHBondContact OG1-CA 3.27Å; T36-Y39 WeakPolarHBondContact OG1-CB 3.35Å; T36-Y39 PolarHBondContact OG1-N 3.32Å; T36-Y39 VanDerWaalsContact OG1-N 3.15Å; T36-Y39 PolarHBondContact OG1-O 3.06Å; T36-I57 WeakPolarHBondContact O-CD1 3.36Å; T36-I57 WeakPolarHBondContact O-CG1 3.48Å; T36-V59 VanDerWaalsContact C-CG2 3.44Å; T36-A104 HydrophobicContact CG2-CB 3.85Å; T36-A104 VanDerWaalsContact CG2-O 3.3Å; T36-A104 WeakPolarHBondContact CG2-O 3.49Å; T36-A104 WeakPolarHBondContact OG1-CB 3.43Å; T36-H108 HydrophobicContact CG2-CB 4.25Å
37S91.5Very high87Confident31 Ų3148.5 Ų48.522%0.21727%0.266CS..SBendtrans-51.9-37.2-177.162.60000113.6P56 I57 E107S37-P56 CarbonylContact O-C 3.54Å; S37-P56 WeakPolarHBondContact O-CA 3.46Å; S37-I57 WeakPolarHBondContact O-CG1 3.45Å; S37-I57 PolarHBondContact O-N 2.7Å; S37-E107 WeakPolarHBondContact CB-OE2 3.28Å; S37-E107 PolarHBondContact N-OE1 3.01Å; S37-E107 PolarHBondContact N-OE2 3.23Å; S37-E107 PolarHBondContact OG-OE2 3.47Å
38Q90.2Very high87.8Confident88 Ų8846.3 Ų46.341%0.41125%0.249SC..SBendtrans-127.43.1-175.4-64.2-178.712.500114.3T36 A52 L53 P56T36-Q38 PolarHBondContact O-N 3.35Å; T36-Q38 VanDerWaalsContact O-N 3.12Å; Q38-A52 WeakPolarHBondContact O-CA 3.49Å; Q38-L53 PolarHBondContact O-N 3.3Å; Q38-P56 HydrophobicContact CG-CB 4.33Å
39Y91.7Very high88.6Confident7 Ų745.7 Ų45.73%0.02724%0.243CC..EExtended strand (participates in β ladder)trans-143.9132.5-173.6-176.4-101.3000112.3L34 T36 K41 E50 I100 K101 A104L34-Y39 HydrophobicContact CD2-CD1 4.06Å; L34-Y39 HydrophobicContact CD2-CE1 4.13Å; T36-Y39 PolarHBondContact N-O 3.37Å; T36-Y39 WeakPolarHBondContact OG1-CA 3.27Å; T36-Y39 WeakPolarHBondContact OG1-CB 3.35Å; T36-Y39 PolarHBondContact OG1-N 3.32Å; T36-Y39 VanDerWaalsContact OG1-N 3.15Å; T36-Y39 PolarHBondContact OG1-O 3.06Å; Y39-K41 HydrophobicContact CD1-CB 4.41Å; Y39-K41 HydrophobicContact CE1-CB 3.61Å; Y39-K41 HydrophobicContact CE1-CD 4.21Å; Y39-K41 HydrophobicContact CE1-CG 4.35Å; Y39-E50 HydrophobicContact CE2-CB 4.19Å; Y39-E50 VanDerWaalsContact OH-CB 3.28Å; Y39-E50 WeakPolarHBondContact OH-CB 3.29Å; Y39-E50 PolarHBondContact OH-OE2 3.37Å; Y39-I100 HydrophobicContact CD2-CG2 4.34Å; Y39-K101 HydrophobicContact CD2-CG 4.44Å; Y39-K101 HydrophobicContact CE1-CG 4.39Å; Y39-K101 HydrophobicContact CE2-CD 4.48Å; Y39-K101 HydrophobicContact CE2-CG 3.85Å; Y39-K101 WeakPolarHBondContact OH-CE 3.48Å; Y39-A104 HydrophobicContact CD1-CB 3.95Å; Y39-A104 HydrophobicContact CG-CB 4.17Å
40V92.7Very high89.2Confident0 Ų043.8 Ų43.80%022%0.224CC..EExtended strand (participates in β ladder)trans-123.7133.6177.7-179.50000109.1L34 C51 L53 F73 L75L34-V40 CarbonylContact O-C 3.49Å; L34-V40 WeakPolarHBondContact O-CA 3.42Å; V40-C51 PolarHBondContact N-O 3.12Å; V40-C51 PolarHBondContact O-N 2.97Å; V40-L53 HydrophobicContact CG2-CD1 3.92Å; V40-L53 HydrophobicContact CG2-CD2 4.27Å; V40-L53 HydrophobicContact CG2-CG 4.19Å; V40-F73 HydrophobicContact CG1-CD1 3.71Å; V40-F73 HydrophobicContact CG1-CD2 4.48Å; V40-F73 HydrophobicContact CG1-CE1 3.41Å; V40-F73 VanDerWaalsContact CG1-CE1 3.41Å; V40-F73 HydrophobicContact CG1-CE2 4.25Å; V40-F73 HydrophobicContact CG1-CG 4.25Å; V40-F73 HydrophobicContact CG1-CZ 3.75Å; V40-L75 HydrophobicContact CG2-CD1 4.03Å; V40-L75 HydrophobicContact CG2-CD2 4.49Å
41K91.9Very high89.8Confident68 Ų6837.2 Ų37.230%0.29619%0.189SC..EExtended strand (participates in β ladder)trans-142.5138.8178.6-175.2-165.7-176-159.50111.3T33 L34 Y39 V43 F49T33-K41 WeakPolarHBondContact CA-O 3.37Å; L34-K41 HydrophobicContact CB-CB 4.19Å; L34-K41 PolarHBondContact N-O 3.05Å; L34-K41 PolarHBondContact O-N 3.41Å; Y39-K41 HydrophobicContact CD1-CB 4.41Å; Y39-K41 HydrophobicContact CE1-CB 3.61Å; Y39-K41 HydrophobicContact CE1-CD 4.21Å; Y39-K41 HydrophobicContact CE1-CG 4.35Å; K41-V43 HydrophobicContact CD-CG2 4.18Å; K41-V43 HydrophobicContact CG-CG2 4.2Å; K41-F49 CarbonylContact C-O 3.58Å; K41-F49 VanDerWaalsContact CA-O 3.23Å; K41-F49 WeakPolarHBondContact CA-O 3.27Å; K41-F49 WeakPolarHBondContact CG-O 3.45Å
42V91.5Very high90Very high1 Ų136.5 Ų36.51%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-129.3131168.6-178.60000108.7L23 D32 T33 V44 I48 F49 A71 F73L23-V42 HydrophobicContact CD2-CG1 4.01Å; D32-V42 CarbonylContact O-C 3.56Å; D32-V42 WeakPolarHBondContact O-CA 3.49Å; T33-V42 HydrophobicContact CG2-CG1 4.3Å; T33-V42 HydrophobicContact CG2-CG2 4.26Å; V42-V44 HydrophobicContact CG1-CG2 3.98Å; V42-I48 CarbonylContact O-C 3.55Å; V42-I48 WeakPolarHBondContact O-CA 3.49Å; V42-F49 HydrophobicContact CB-CB 4.39Å; V42-F49 PolarHBondContact N-O 3.42Å; V42-F49 PolarHBondContact O-N 3.47Å; V42-A71 HydrophobicContact CG2-CB 4.46Å; V42-F73 HydrophobicContact CG2-CE1 4.37Å; V42-F73 HydrophobicContact CG2-CE2 3.48Å; V42-F73 VanDerWaalsContact CG2-CE2 3.48Å; V42-F73 HydrophobicContact CG2-CZ 3.15Å
43V90.3Very high90.2Very high9 Ų931.6 Ų31.66%0.05516%0.157CC..EExtended strand (participates in β ladder)trans-121.8118.9172-170.60000108.4L2 A31 D32 K41 K45 I48L2-V43 HydrophobicContact CD1-CG1 4.02Å; L2-V43 HydrophobicContact CD2-CG1 4.32Å; A31-V43 WeakPolarHBondContact CA-O 3.32Å; D32-V43 HydrophobicContact CB-CB 4.16Å; D32-V43 PolarHBondContact N-O 3.43Å; D32-V43 PolarHBondContact O-N 3.05Å; K41-V43 HydrophobicContact CD-CG2 4.18Å; K41-V43 HydrophobicContact CG-CG2 4.2Å; V43-K45 HydrophobicContact CG1-CG 4.48Å; V43-I48 HydrophobicContact CG2-CD1 4.02Å; V43-I48 HydrophobicContact CG2-CG1 4.04Å
44V87.7Confident90.2Very high5 Ų533.5 Ų33.53%0.0316%0.159CC..EExtended strand (participates in β ladder)trans-131.295.5172.2176.90000106.2L23 I26 A31 V42 Y47L23-V44 HydrophobicContact CD1-CG2 4.46Å; L23-V44 HydrophobicContact CD2-CG2 3.92Å; I26-V44 HydrophobicContact CB-CG1 3.58Å; I26-V44 HydrophobicContact CD1-CG1 4.17Å; I26-V44 HydrophobicContact CG1-CG1 4.49Å; I26-V44 HydrophobicContact CG2-CG1 3.35Å; A31-V44 HydrophobicContact CB-CG2 3.6Å; V42-V44 HydrophobicContact CG1-CG2 3.98Å; V44-Y47 CarbonylContact C-O 3.6Å; V44-Y47 PolarHBondContact N-O 3.33Å; V44-Y47 CarbonylContact O-C 3.49Å; V44-Y47 WeakPolarHBondContact O-CA 3.4Å; V44-Y47 WeakPolarHBondContact O-CB 3.47Å; V44-Y47 PolarHBondContact O-N 3.45Å; V44-Y47 VanDerWaalsContact O-O 3.07Å
45K85Confident90.1Very high161 Ų16135 Ų3570%0.716%0.164SC*.THydrogen-bonded Turntrans-54128.4-170-67.2178.1-178169.40110.8L2 V43L2-K45 HydrophobicContact CD2-CG 4.19Å; V43-K45 HydrophobicContact CG1-CG 4.48Å
46P86.8Confident90.1Very high57 Ų5736.6 Ų36.637%0.3718%0.176SC..THydrogen-bonded Turncis-91.14.110.736.6-36.4000115.5L2 I3L2-P46 CarbonylContact C-O 3.58Å; L2-P46 WeakPolarHBondContact CA-O 3.2Å; L2-P46 WeakPolarHBondContact CB-O 3.45Å; L2-P46 WeakPolarHBondContact CD2-O 3.46Å; I3-P46 HydrophobicContact CD1-CG 4.42Å; I3-P46 PolarHBondContact N-O 3.49Å
47Y88.5Confident90.1Very high56 Ų5636.8 Ų36.822%0.2218%0.177CC..EExtended strand (participates in β ladder)trans-88.5150.9-176.1-54.6-76.9000114I3 I5 H24 I26 V44I3-Y47 HydrophobicContact CB-CD1 3.8Å; I3-Y47 HydrophobicContact CB-CE1 4.17Å; I3-Y47 HydrophobicContact CD1-CE1 4.13Å; I3-Y47 HydrophobicContact CG2-CD1 3.96Å; I3-Y47 HydrophobicContact CG2-CE1 4.09Å; I3-Y47 CarbonylContact O-C 3.44Å; I3-Y47 VanDerWaalsContact O-CA 3.29Å; I3-Y47 WeakPolarHBondContact O-CA 3.43Å; I5-Y47 HydrophobicContact CG1-CD1 4.39Å; I5-Y47 HydrophobicContact CG1-CG 4.4Å; H24-Y47 HydrophobicContact CB-CE2 3.9Å; I26-Y47 HydrophobicContact CD1-CD2 3.68Å; I26-Y47 HydrophobicContact CD1-CE2 3.61Å; V44-Y47 CarbonylContact C-O 3.6Å; V44-Y47 PolarHBondContact N-O 3.33Å; V44-Y47 CarbonylContact O-C 3.49Å; V44-Y47 WeakPolarHBondContact O-CA 3.4Å; V44-Y47 WeakPolarHBondContact O-CB 3.47Å; V44-Y47 PolarHBondContact O-N 3.45Å; V44-Y47 VanDerWaalsContact O-O 3.07Å
48I90.5Very high90.1Very high14 Ų1438.1 Ų38.17%0.07218%0.182CC..EExtended strand (participates in β ladder)trans-139.1138.5172.5-178.1166.4000109.8L2 I3 N4 I5 V42 V43L2-I48 HydrophobicContact CB-CB 4Å; L2-I48 HydrophobicContact CB-CG2 3.51Å; L2-I48 HydrophobicContact CD1-CB 4.1Å; L2-I48 HydrophobicContact CD1-CD1 4Å; L2-I48 HydrophobicContact CD1-CG2 4.35Å; I3-I48 PolarHBondContact O-N 3.37Å; N4-I48 CarbonylContact C-O 3.51Å; N4-I48 VanDerWaalsContact CA-O 3.28Å; N4-I48 WeakPolarHBondContact CA-O 3.39Å; N4-I48 WeakPolarHBondContact OD1-CG2 3.48Å; I5-I48 PolarHBondContact N-O 3.01Å; V42-I48 CarbonylContact O-C 3.55Å; V42-I48 WeakPolarHBondContact O-CA 3.49Å; V43-I48 HydrophobicContact CG2-CD1 4.02Å; V43-I48 HydrophobicContact CG2-CG1 4.04Å
49F90.3Very high90.1Very high6 Ų634.8 Ų34.83%0.02617%0.167CC..EExtended strand (participates in β ladder)trans-118.5130166.3177-98.9000108I5 F8 L19 V21 K41 V42 C51I5-F49 HydrophobicContact CB-CB 4.27Å; I5-F49 HydrophobicContact CB-CD2 4.42Å; I5-F49 HydrophobicContact CD1-CB 4.24Å; F8-F49 HydrophobicContact CB-CE2 4Å; F8-F49 HydrophobicContact CD1-CD2 4.27Å; F8-F49 AromaticContact CD1-CE2 3.5Å; F8-F49 HydrophobicContact CD1-CE2 3.5Å; F8-F49 HydrophobicContact CD1-CZ 4.4Å; F8-F49 HydrophobicContact CD2-CE2 4.3Å; F8-F49 HydrophobicContact CD2-CZ 4.47Å; F8-F49 HydrophobicContact CE1-CE2 4.03Å; F8-F49 AromaticContact CG-CE2 3.66Å; F8-F49 HydrophobicContact CG-CE2 3.66Å; F8-F49 HydrophobicContact CG-CZ 4.23Å; L19-F49 HydrophobicContact CD1-CZ 4.14Å; L19-F49 HydrophobicContact CD2-CE1 3.69Å; L19-F49 HydrophobicContact CD2-CZ 3.93Å; V21-F49 HydrophobicContact CG1-CB 3.8Å; V21-F49 HydrophobicContact CG1-CD1 4.41Å; V21-F49 HydrophobicContact CG1-CD2 4.15Å; V21-F49 HydrophobicContact CG1-CG 3.85Å; V21-F49 HydrophobicContact CG2-CD1 3.81Å; V21-F49 HydrophobicContact CG2-CD2 4.24Å; V21-F49 HydrophobicContact CG2-CE1 3.91Å; V21-F49 HydrophobicContact CG2-CE2 4.32Å; V21-F49 HydrophobicContact CG2-CG 3.97Å; V21-F49 HydrophobicContact CG2-CZ 4.15Å; K41-F49 CarbonylContact C-O 3.58Å; K41-F49 VanDerWaalsContact CA-O 3.23Å; K41-F49 WeakPolarHBondContact CA-O 3.27Å; K41-F49 WeakPolarHBondContact CG-O 3.45Å; V42-F49 HydrophobicContact CB-CB 4.39Å; V42-F49 PolarHBondContact N-O 3.42Å; V42-F49 PolarHBondContact O-N 3.47Å; F49-C51 HydrophobicContact CE1-CB 3.63Å; F49-C51 HydrophobicContact CZ-CB 3.57Å
50E90Very high89.9Confident49 Ų4940 Ų4023%0.22919%0.192CC..EExtended strand (participates in β ladder)trans-137.3130.3174.252.7177.6-138.600110Y39 K101Y39-E50 HydrophobicContact CE2-CB 4.19Å; Y39-E50 VanDerWaalsContact OH-CB 3.28Å; Y39-E50 WeakPolarHBondContact OH-CB 3.29Å; Y39-E50 PolarHBondContact OH-OE2 3.37Å; E50-K101 IonicContact OE1-NZ 3.89Å; E50-K101 PolarHBondContact OE1-NZ 3.09Å; E50-K101 IonicContact OE2-NZ 2.68Å; E50-K101 PolarHBondContact OE2-NZ 2.92Å
51C88.6Confident89.8Confident1 Ų144.4 Ų44.41%0.00721%0.212CC..EExtended strand (participates in β ladder)trans-140.8120.6-177.5-178.90000109.6V40 F49V40-C51 PolarHBondContact N-O 3.12Å; V40-C51 PolarHBondContact O-N 2.97Å; F49-C51 HydrophobicContact CE1-CB 3.63Å; F49-C51 HydrophobicContact CZ-CB 3.57Å
52A90.4Very high89.8Confident2 Ų241.9 Ų41.92%0.01720%0.203CC..EExtended strand (participates in β ladder)trans-84.3116164.600000108.2Q38 I87 L88 M91 L97 I100Q38-A52 WeakPolarHBondContact O-CA 3.49Å; A52-I87 WeakPolarHBondContact O-CA 3.44Å; A52-L88 HydrophobicContact CB-CB 4.44Å; A52-L88 PolarHBondContact O-N 3.48Å; A52-M91 HydrophobicContact CB-SD 4.18Å; A52-L97 HydrophobicContact CB-CD1 4.47Å; A52-I100 HydrophobicContact CB-CD1 4.37Å; A52-I100 HydrophobicContact CB-CG2 4.45Å
53L91.1Very high89.8Confident3 Ų344.9 Ų44.92%0.01622%0.222CC..BIsolated β-bridgetrans-70.4143.7-178-60.7174.5000110.2Q38 V40 K55 I57 L75 W83 L86Q38-L53 PolarHBondContact O-N 3.3Å; V40-L53 HydrophobicContact CG2-CD1 3.92Å; V40-L53 HydrophobicContact CG2-CD2 4.27Å; V40-L53 HydrophobicContact CG2-CG 4.19Å; L53-K55 VanDerWaalsContact C-N 3.29Å; L53-K55 PolarHBondContact O-N 3.25Å; L53-I57 HydrophobicContact CD1-CB 4.43Å; L53-I57 HydrophobicContact CD1-CD1 3.84Å; L53-I57 HydrophobicContact CD1-CG1 3.91Å; L53-I57 HydrophobicContact CD1-CG2 3.67Å; L53-L75 HydrophobicContact CD1-CD1 4.19Å; L53-L75 HydrophobicContact CD2-CD1 4.12Å; L53-W83 HydrophobicContact CB-CH2 4.47Å; L53-W83 HydrophobicContact CB-CZ3 4.3Å; L53-W83 HydrophobicContact CD2-CZ3 4.36Å; L53-L86 CarbonylContact C-O 3.54Å; L53-L86 WeakPolarHBondContact CA-O 3.29Å; L53-L86 HydrophobicContact CD2-CD1 3.87Å; L53-L86 HydrophobicContact CD2-CG 4.47Å
54Y89.2Confident89.8Confident96 Ų9646.6 Ų46.638%0.37623%0.23SC..SBendtrans-61.4-37.3177.7178.3-120.1000112.7W83 Q85 L86 L88Y54-W83 HydrophobicContact CD1-CB 4.24Å; Y54-W83 HydrophobicContact CD1-CG 4.45Å; Y54-Q85 WeakPolarHBondContact CB-O 3.48Å; Y54-L86 PolarHBondContact N-O 3.23Å; Y54-L88 HydrophobicContact CD2-CD1 4.01Å
55K89.5Confident89.9Confident59 Ų5954.3 Ų54.326%0.25726%0.259SS..SBendtrans-136.4159.1-178.5-80.6178.6179.7176.40111.2L53 E81 W83L53-K55 VanDerWaalsContact C-N 3.29Å; L53-K55 PolarHBondContact O-N 3.25Å; K55-E81 IonicContact NZ-OE2 2.76Å; K55-E81 PolarHBondContact NZ-OE2 3.16Å; K55-W83 HydrophobicContact CB-CD2 4.26Å; K55-W83 HydrophobicContact CB-CH2 4.3Å; K55-W83 HydrophobicContact CB-CZ2 3.67Å; K55-W83 VanDerWaalsContact O-CH2 3.28Å; K55-W83 WeakPolarHBondContact O-CH2 3.21Å
56P91.6Very high90Very high55 Ų5549.7 Ų49.736%0.35724%0.241SC..  trans-69.2147.8-17827.6-34.4000113.3S37 Q38 S78S37-P56 CarbonylContact O-C 3.54Å; S37-P56 WeakPolarHBondContact O-CA 3.46Å; Q38-P56 HydrophobicContact CG-CB 4.33Å; P56-S78 PolarHBondContact O-N 2.58Å; P56-S78 PolarHBondContact O-OG 3.22Å
57I93Very high89.8Confident5 Ų549.9 Ų49.93%0.02624%0.242CC..EExtended strand (participates in β ladder)trans-114155.2175.461.6165.2000111.8I35 T36 S37 L53 V59 L75 K76 W83I35-I57 HydrophobicContact CG2-CD1 3.88Å; T36-I57 WeakPolarHBondContact O-CD1 3.36Å; T36-I57 WeakPolarHBondContact O-CG1 3.48Å; S37-I57 WeakPolarHBondContact O-CG1 3.45Å; S37-I57 PolarHBondContact O-N 2.7Å; L53-I57 HydrophobicContact CD1-CB 4.43Å; L53-I57 HydrophobicContact CD1-CD1 3.84Å; L53-I57 HydrophobicContact CD1-CG1 3.91Å; L53-I57 HydrophobicContact CD1-CG2 3.67Å; I57-V59 HydrophobicContact CG1-CG2 4.46Å; I57-V59 PolarHBondContact O-N 3.2Å; I57-L75 HydrophobicContact CD1-CB 4.17Å; I57-L75 HydrophobicContact CD1-CD1 4.36Å; I57-L75 HydrophobicContact CD1-CD2 3.76Å; I57-L75 HydrophobicContact CD1-CG 4.31Å; I57-L75 HydrophobicContact CG2-CB 4.18Å; I57-K76 CarbonylContact C-O 3.49Å; I57-K76 WeakPolarHBondContact CA-O 3.28Å; I57-K76 WeakPolarHBondContact CB-O 3.47Å; I57-W83 HydrophobicContact CG2-CH2 3.64Å; I57-W83 HydrophobicContact CG2-CZ2 4.18Å
58N91.5Very high89.4Confident59 Ų5952.3 Ų52.332%0.31626%0.258SS..EExtended strand (participates in β ladder)trans-83.5103.5168.6-172-3.7000110.2E60 E61 S62 K76N58-E60 VanDerWaalsContact C-N 3.31Å; N58-E60 PolarHBondContact O-N 3.03Å; N58-E60 PolarHBondContact OD1-N 3.11Å; N58-E61 VanDerWaalsContact ND2-CD 3.26Å; N58-E61 WeakPolarHBondContact ND2-CG 3.1Å; N58-E61 PolarHBondContact ND2-OE2 3.35Å; N58-E61 PolarHBondContact O-N 3.42Å; N58-S62 WeakPolarHBondContact O-CB 3.48Å; N58-S62 PolarHBondContact O-N 3Å; N58-S62 VanDerWaalsContact O-N 3.15Å; N58-S62 PolarHBondContact O-OG 3Å; N58-K76 PolarHBondContact N-O 2.89Å
59V90.1Very high89.1Confident17 Ų1756.5 Ų56.510%0.10328%0.281CS..EExtended strand (participates in β ladder)trans-66.5-29.9-174.4-175.40000112.9I35 T36 I57 R111I35-V59 HydrophobicContact CG2-CG1 4.31Å; T36-V59 VanDerWaalsContact C-CG2 3.44Å; I57-V59 HydrophobicContact CG1-CG2 4.46Å; I57-V59 PolarHBondContact O-N 3.2Å; V59-R111 VanDerWaalsContact CG1-CZ 3.47Å
60E88.1Confident89Confident117 Ų11757.9 Ų57.955%0.54729%0.29SS..EExtended strand (participates in β ladder)trans-75.9-26.9-176.8-63.6-63.5168.500112.8N58 R111 R115N58-E60 VanDerWaalsContact C-N 3.31Å; N58-E60 PolarHBondContact O-N 3.03Å; N58-E60 PolarHBondContact OD1-N 3.11Å; E60-R111 WeakPolarHBondContact OE1-CD 3.34Å; E60-R115 IonicContact OE1-NH2 2.7Å; E60-R115 IonicContact OE2-CZ 3.28Å; E60-R115 IonicContact OE2-NH2 2.83Å; E60-R115 PolarHBondContact OE2-NH2 3.18Å
61E90.1Very high89Confident92 Ų9255.5 Ų55.543%0.4328%0.279SS..EExtended strand (participates in β ladder)trans-96-12.6176.9-59.5-178.3125.300112.6N58 K76N58-E61 VanDerWaalsContact ND2-CD 3.26Å; N58-E61 WeakPolarHBondContact ND2-CG 3.1Å; N58-E61 PolarHBondContact ND2-OE2 3.35Å; N58-E61 PolarHBondContact O-N 3.42Å; E61-K76 HydrophobicContact CB-CB 4.11Å; E61-K76 HydrophobicContact CB-CD 3.76Å; E61-K76 HydrophobicContact CB-CG 4.4Å; E61-K76 HydrophobicContact CG-CD 4.4Å; E61-K76 IonicContact OE1-NZ 2.62Å; E61-K76 PolarHBondContact OE1-NZ 2.78Å; E61-K76 WeakPolarHBondContact OE2-CD 3.44Å; E61-K76 WeakPolarHBondContact OE2-CE 3.29Å; E61-K76 IonicContact OE2-NZ 2.8Å; E61-K76 PolarHBondContact OE2-NZ 3.43Å
62S91.8Very high89.2Confident15 Ų1559.4 Ų59.411%0.10530%0.297CS..EExtended strand (participates in β ladder)trans-77.6135.9177.9-61.70000110.4N58 N74 L75 K76N58-S62 WeakPolarHBondContact O-CB 3.48Å; N58-S62 PolarHBondContact O-N 3Å; N58-S62 VanDerWaalsContact O-N 3.15Å; N58-S62 PolarHBondContact O-OG 3Å; S62-N74 CarbonylContact C-O 3.47Å; S62-N74 VanDerWaalsContact CA-O 3.25Å; S62-N74 WeakPolarHBondContact CA-O 3.42Å; S62-L75 WeakPolarHBondContact OG-CA 3.31Å; S62-K76 PolarHBondContact OG-N 3.44Å
63T91.3Very high89.3Confident65 Ų6559.4 Ų59.440%0.39930%0.296SS..EExtended strand (participates in β ladder)trans-119.3149.9-179.1630000111.3N74T63-N74 PolarHBondContact N-O 3.46Å; T63-N74 PolarHBondContact O-N 3.32Å
64L90.6Very high89.4Confident44 Ų4462 Ų6223%0.2331%0.31CS..EExtended strand (participates in β ladder)trans-126.3123.4175169.860.5000109T33 I35 L66 A71 E72 F73T33-L64 HydrophobicContact CG2-CD2 3.75Å; I35-L64 HydrophobicContact CD1-CB 3.7Å; I35-L64 HydrophobicContact CD1-CD2 4.06Å; I35-L64 HydrophobicContact CD1-CG 4.45Å; L64-L66 HydrophobicContact CD1-CD2 3.98Å; L64-L66 HydrophobicContact CD1-CG 4.32Å; L64-L66 HydrophobicContact CD2-CD1 4.45Å; L64-L66 HydrophobicContact CD2-CD2 4.2Å; L64-L66 HydrophobicContact CD2-CG 4.24Å; L64-L66 HydrophobicContact CG-CD2 4.2Å; L64-L66 HydrophobicContact CG-CG 4.09Å; L64-A71 HydrophobicContact CD1-CB 4.32Å; L64-E72 WeakPolarHBondContact CA-O 3.42Å; L64-E72 WeakPolarHBondContact CD1-O 3.37Å; L64-F73 HydrophobicContact CB-CD1 4.41Å; L64-F73 HydrophobicContact CB-CE1 4.37Å; L64-F73 HydrophobicContact CD1-CD1 3.75Å; L64-F73 HydrophobicContact CD1-CD2 3.99Å; L64-F73 HydrophobicContact CD1-CE1 3.49Å; L64-F73 VanDerWaalsContact CD1-CE1 3.49Å; L64-F73 HydrophobicContact CD1-CE2 3.74Å; L64-F73 HydrophobicContact CD1-CG 3.96Å; L64-F73 HydrophobicContact CD1-CZ 3.44Å; L64-F73 VanDerWaalsContact CD1-CZ 3.44Å; L64-F73 HydrophobicContact CD2-CE1 3.77Å; L64-F73 HydrophobicContact CD2-CZ 3.95Å; L64-F73 HydrophobicContact CG-CD1 4.45Å; L64-F73 HydrophobicContact CG-CE1 4.06Å; L64-F73 HydrophobicContact CG-CZ 4.3Å
65R90Very high89.6Confident168 Ų16857.4 Ų57.463%0.63429%0.292SS*.EExtended strand (participates in β ladder)trans-109.6117.2172.9-62.4-179.4-178.4-173.70.3108.5E72R65-E72 HydrophobicContact CB-CB 4.28Å; R65-E72 PolarHBondContact N-O 2.98Å; R65-E72 PolarHBondContact O-N 3.47Å
66L86.2Confident89.7Confident63 Ų6358 Ų5833%0.3330%0.295SS..EExtended strand (participates in β ladder)trans-99.5113.4174.9-63.1168.2000108.2A28 A31 T33 L64 A71A28-L66 HydrophobicContact CB-CB 3.87Å; A31-L66 HydrophobicContact CB-CD1 4.21Å; T33-L66 HydrophobicContact CG2-CD1 4.04Å; T33-L66 HydrophobicContact CG2-CD2 4.18Å; L64-L66 HydrophobicContact CD1-CD2 3.98Å; L64-L66 HydrophobicContact CD1-CG 4.32Å; L64-L66 HydrophobicContact CD2-CD1 4.45Å; L64-L66 HydrophobicContact CD2-CD2 4.2Å; L64-L66 HydrophobicContact CD2-CG 4.24Å; L64-L66 HydrophobicContact CG-CD2 4.2Å; L64-L66 HydrophobicContact CG-CG 4.09Å; L66-A71 HydrophobicContact CD2-CB 3.58Å
67T83.6Confident89.8Confident62 Ų6255.9 Ų55.938%0.3828%0.28SS..  trans-101.7167.2168.266.40000109.2D69 V70T67-D69 PolarHBondContact O-N 3.45Å; T67-D69 VanDerWaalsContact O-N 3.11Å; T67-V70 PolarHBondContact N-O 3.01Å; T67-V70 PolarHBondContact OG1-N 3.34Å; T67-V70 VanDerWaalsContact OG1-N 3.13Å; T67-V70 PolarHBondContact OG1-O 3.35Å
68N79.2Confident89.6Confident107 Ų10758.4 Ų58.457%0.57230%0.298SS*.SBendtrans-60.5-22.8-178.6-71.3-23.5000113.6
69D84.5Confident89.6Confident102 Ų10260.7 Ų60.755%0.54531%0.311SS..SBendtrans-112.9-22.1-176-66.4-32.9000113.6L23 G25 T67L23-D69 PolarHBondContact N-O 3.29Å; G25-D69 WeakPolarHBondContact CA-OD1 3.44Å; T67-D69 PolarHBondContact O-N 3.45Å; T67-D69 VanDerWaalsContact O-N 3.11Å
70V89.3Confident89.5Confident34 Ų3463.5 Ų63.521%0.20634%0.335CS..EExtended strand (participates in β ladder)trans-147137-168.1-176.90000111.5I20 V21 T67 E72I20-V70 HydrophobicContact CG2-CG1 3.33Å; V21-V70 WeakPolarHBondContact O-CA 3.4Å; T67-V70 PolarHBondContact N-O 3.01Å; T67-V70 PolarHBondContact OG1-N 3.34Å; T67-V70 VanDerWaalsContact OG1-N 3.13Å; T67-V70 PolarHBondContact OG1-O 3.35Å; V70-E72 HydrophobicContact CG1-CG 3.99Å
71A90.1Very high89.5Confident0 Ų062 Ų620%033%0.328CS..EExtended strand (participates in β ladder)trans-97.1114.7165.100000109.7V21 L23 V42 L64 L66 F73V21-A71 HydrophobicContact CB-CB 4.35Å; V21-A71 PolarHBondContact N-O 2.73Å; V21-A71 PolarHBondContact O-N 3.44Å; L23-A71 HydrophobicContact CD1-CB 4.17Å; L23-A71 HydrophobicContact CD2-CB 4.02Å; L23-A71 HydrophobicContact CG-CB 4.22Å; V42-A71 HydrophobicContact CG2-CB 4.46Å; L64-A71 HydrophobicContact CD1-CB 4.32Å; L66-A71 HydrophobicContact CD2-CB 3.58Å; A71-F73 HydrophobicContact CB-CE2 3.94Å
72E92.1Very high89.4Confident82 Ų8262.1 Ų62.138%0.38333%0.331SS..EExtended strand (participates in β ladder)trans-102.2113178.1-62.9177.1176.400109.7L64 R65 V70L64-E72 WeakPolarHBondContact CA-O 3.42Å; L64-E72 WeakPolarHBondContact CD1-O 3.37Å; R65-E72 HydrophobicContact CB-CB 4.28Å; R65-E72 PolarHBondContact N-O 2.98Å; R65-E72 PolarHBondContact O-N 3.47Å; V70-E72 HydrophobicContact CG1-CG 3.99Å
73F92.5Very high89.2Confident2 Ų261.9 Ų61.91%0.00933%0.328CS..EExtended strand (participates in β ladder)trans-97.2119.1173.3-69.2-89.2000109.1D18 L19 V21 I35 V40 V42 L64 A71 L75D18-F73 CarbonylContact C-O 3.09Å; D18-F73 VanDerWaalsContact CA-O 3.31Å; D18-F73 WeakPolarHBondContact CA-O 3.23Å; L19-F73 HydrophobicContact CB-CB 3.96Å; L19-F73 HydrophobicContact CD2-CB 4.42Å; L19-F73 HydrophobicContact CD2-CD2 4.11Å; L19-F73 HydrophobicContact CD2-CG 4.34Å; L19-F73 HydrophobicContact CG-CB 4.43Å; L19-F73 HydrophobicContact CG-CD2 4.22Å; L19-F73 PolarHBondContact N-O 3.48Å; L19-F73 PolarHBondContact O-N 2.94Å; V21-F73 HydrophobicContact CG2-CD2 4.32Å; V21-F73 HydrophobicContact CG2-CE2 4.22Å; I35-F73 HydrophobicContact CD1-CD1 3.8Å; I35-F73 HydrophobicContact CD1-CE1 3.67Å; I35-F73 HydrophobicContact CG1-CD1 4.12Å; I35-F73 HydrophobicContact CG1-CE1 3.71Å; V40-F73 HydrophobicContact CG1-CD1 3.71Å; V40-F73 HydrophobicContact CG1-CD2 4.48Å; V40-F73 HydrophobicContact CG1-CE1 3.41Å; V40-F73 VanDerWaalsContact CG1-CE1 3.41Å; V40-F73 HydrophobicContact CG1-CE2 4.25Å; V40-F73 HydrophobicContact CG1-CG 4.25Å; V40-F73 HydrophobicContact CG1-CZ 3.75Å; V42-F73 HydrophobicContact CG2-CE1 4.37Å; V42-F73 HydrophobicContact CG2-CE2 3.48Å; V42-F73 VanDerWaalsContact CG2-CE2 3.48Å; V42-F73 HydrophobicContact CG2-CZ 3.15Å; L64-F73 HydrophobicContact CB-CD1 4.41Å; L64-F73 HydrophobicContact CB-CE1 4.37Å; L64-F73 HydrophobicContact CD1-CD1 3.75Å; L64-F73 HydrophobicContact CD1-CD2 3.99Å; L64-F73 HydrophobicContact CD1-CE1 3.49Å; L64-F73 VanDerWaalsContact CD1-CE1 3.49Å; L64-F73 HydrophobicContact CD1-CE2 3.74Å; L64-F73 HydrophobicContact CD1-CG 3.96Å; L64-F73 HydrophobicContact CD1-CZ 3.44Å; L64-F73 VanDerWaalsContact CD1-CZ 3.44Å; L64-F73 HydrophobicContact CD2-CE1 3.77Å; L64-F73 HydrophobicContact CD2-CZ 3.95Å; L64-F73 HydrophobicContact CG-CD1 4.45Å; L64-F73 HydrophobicContact CG-CE1 4.06Å; L64-F73 HydrophobicContact CG-CZ 4.3Å; A71-F73 HydrophobicContact CB-CE2 3.94Å; F73-L75 HydrophobicContact CB-CD1 4.44Å; F73-L75 HydrophobicContact CB-CD2 3.96Å; F73-L75 HydrophobicContact CB-CG 4Å; F73-L75 HydrophobicContact CD1-CD2 4.08Å; F73-L75 HydrophobicContact CG-CD2 4.5Å
74N93Very high88.9Confident58 Ų5865.1 Ų65.131%0.3134%0.343SS..EExtended strand (participates in β ladder)trans-105.599.8167.3178.1-95.3000106.9D18 S62 T63D18-N74 PolarHBondContact OD1-ND2 2.87Å; S62-N74 CarbonylContact C-O 3.47Å; S62-N74 VanDerWaalsContact CA-O 3.25Å; S62-N74 WeakPolarHBondContact CA-O 3.42Å; T63-N74 PolarHBondContact N-O 3.46Å; T63-N74 PolarHBondContact O-N 3.32Å
75L93Very high88.7Confident0 Ų066 Ų660%035%0.346CS..EExtended strand (participates in β ladder)trans-103.3120.7-171.7-52.3176.6000109.8D16 V17 I35 V40 L53 I57 S62 F73D16-L75 CarbonylContact C-O 3.41Å; D16-L75 VanDerWaalsContact CA-O 3.27Å; D16-L75 WeakPolarHBondContact CA-O 3.49Å; V17-L75 HydrophobicContact CB-CB 4.34Å; V17-L75 PolarHBondContact N-O 3.45Å; V17-L75 WeakPolarHBondContact O-CB 3.41Å; V17-L75 PolarHBondContact O-N 3.16Å; I35-L75 HydrophobicContact CG2-CD2 4.27Å; V40-L75 HydrophobicContact CG2-CD1 4.03Å; V40-L75 HydrophobicContact CG2-CD2 4.49Å; L53-L75 HydrophobicContact CD1-CD1 4.19Å; L53-L75 HydrophobicContact CD2-CD1 4.12Å; I57-L75 HydrophobicContact CD1-CB 4.17Å; I57-L75 HydrophobicContact CD1-CD1 4.36Å; I57-L75 HydrophobicContact CD1-CD2 3.76Å; I57-L75 HydrophobicContact CD1-CG 4.31Å; I57-L75 HydrophobicContact CG2-CB 4.18Å; S62-L75 WeakPolarHBondContact OG-CA 3.31Å; F73-L75 HydrophobicContact CB-CD1 4.44Å; F73-L75 HydrophobicContact CB-CD2 3.96Å; F73-L75 HydrophobicContact CB-CG 4Å; F73-L75 HydrophobicContact CD1-CD2 4.08Å; F73-L75 HydrophobicContact CG-CD2 4.5Å
76K92.7Very high88.5Confident70 Ų7058.2 Ų58.230%0.30432%0.317SS..EExtended strand (participates in β ladder)trans-87.5124.4179.1-170.7151.8171.3-156.80110.9D16 I57 N58 E61 S62D16-K76 WeakPolarHBondContact OD1-CG 3.35Å; I57-K76 CarbonylContact C-O 3.49Å; I57-K76 WeakPolarHBondContact CA-O 3.28Å; I57-K76 WeakPolarHBondContact CB-O 3.47Å; N58-K76 PolarHBondContact N-O 2.89Å; E61-K76 HydrophobicContact CB-CB 4.11Å; E61-K76 HydrophobicContact CB-CD 3.76Å; E61-K76 HydrophobicContact CB-CG 4.4Å; E61-K76 HydrophobicContact CG-CD 4.4Å; E61-K76 IonicContact OE1-NZ 2.62Å; E61-K76 PolarHBondContact OE1-NZ 2.78Å; E61-K76 WeakPolarHBondContact OE2-CD 3.44Å; E61-K76 WeakPolarHBondContact OE2-CE 3.29Å; E61-K76 IonicContact OE2-NZ 2.8Å; E61-K76 PolarHBondContact OE2-NZ 3.43Å; S62-K76 PolarHBondContact OG-N 3.44Å
77K92.8Very high88.5Confident11 Ų1157.9 Ų57.95%0.04832%0.315CS..EExtended strand (participates in β ladder)trans-69.1141.8-178.8-58.1174.9171.8-179.30109.9E12 N13 S15 V17 N79 E81 W83E12-K77 IonicContact OE2-NZ 3.62Å; E12-K77 PolarHBondContact OE2-NZ 3.17Å; N13-K77 PolarHBondContact O-NZ 2.96Å; S15-K77 VanDerWaalsContact O-CB 3.23Å; S15-K77 WeakPolarHBondContact O-CB 3.31Å; S15-K77 WeakPolarHBondContact O-CG 3.17Å; S15-K77 PolarHBondContact O-N 2.91Å; V17-K77 HydrophobicContact CG2-CD 4.22Å; V17-K77 HydrophobicContact CG2-CG 4.02Å; K77-N79 VanDerWaalsContact C-N 3.34Å; K77-N79 WeakPolarHBondContact CB-O 3.42Å; K77-E81 WeakPolarHBondContact CD-O 3.25Å; K77-E81 PolarHBondContact NZ-O 3.28Å; K77-W83 HydrophobicContact CB-CZ2 4.22Å; K77-W83 HydrophobicContact CD-CZ2 4.31Å; K77-W83 HydrophobicContact CG-CZ2 3.71Å
78S90.1Very high88.4Confident59 Ų5956.8 Ų56.841%0.41331%0.306SS..SBendtrans-67.3-37173.1-59.80000112.3P56P56-S78 PolarHBondContact O-N 2.58Å; P56-S78 PolarHBondContact O-OG 3.22Å
79N90Very high87.9Confident107 Ų10757.3 Ų57.357%0.57231%0.309SS*.SBendtrans-120.4135.4175.6-65.5-14.1000109.4K77 E81K77-N79 VanDerWaalsContact C-N 3.34Å; K77-N79 WeakPolarHBondContact CB-O 3.42Å; N79-E81 PolarHBondContact O-N 3.01Å
80A88.1Confident86.7Confident75 Ų7555 Ų5562%0.6230%0.297SS*.  trans-75.585.7-179.200000111.4L14L14-A80 CarbonylContact O-C 3.31Å; L14-A80 VanDerWaalsContact O-C 3.31Å; L14-A80 WeakPolarHBondContact O-CA 3.41Å
81E88.5Confident85.4Confident86 Ų8656.8 Ų56.840%0.40230%0.304SS..  trans-142.4148.4-178.4-66.4177.9-177.100110.7L14 K55 K77 N79 W83L14-E81 PolarHBondContact O-N 3.29Å; K55-E81 IonicContact NZ-OE2 2.76Å; K55-E81 PolarHBondContact NZ-OE2 3.16Å; K77-E81 WeakPolarHBondContact CD-O 3.25Å; K77-E81 PolarHBondContact NZ-O 3.28Å; N79-E81 PolarHBondContact O-N 3.01Å; E81-W83 VanDerWaalsContact O-CD1 3.29Å
82L88.3Confident84.2Confident95 Ų9566.5 Ų66.550%0.49735%0.346SS..  trans-72.8126.5168.3-71.6164.7000109.3E12 L14E12-L82 HydrophobicContact CG-CD2 4.18Å; L14-L82 HydrophobicContact CD2-CG 4.41Å
83W87.1Confident83.6Confident10 Ų1066 Ų664%0.03835%0.346CS..  trans-85.1-33-177.5-68.35.8000111.2E12 V17 L53 Y54 K55 I57 K77 E81 Q85 L86E12-W83 PolarHBondContact OE1-N 2.78Å; E12-W83 WeakPolarHBondContact OE2-CB 3.44Å; E12-W83 PolarHBondContact OE2-N 2.96Å; V17-W83 HydrophobicContact CG2-CD2 4.3Å; V17-W83 HydrophobicContact CG2-CE3 4.01Å; V17-W83 HydrophobicContact CG2-CH2 4.21Å; V17-W83 HydrophobicContact CG2-CZ2 4.48Å; V17-W83 HydrophobicContact CG2-CZ3 3.96Å; L53-W83 HydrophobicContact CB-CH2 4.47Å; L53-W83 HydrophobicContact CB-CZ3 4.3Å; L53-W83 HydrophobicContact CD2-CZ3 4.36Å; Y54-W83 HydrophobicContact CD1-CB 4.24Å; Y54-W83 HydrophobicContact CD1-CG 4.45Å; K55-W83 HydrophobicContact CB-CD2 4.26Å; K55-W83 HydrophobicContact CB-CH2 4.3Å; K55-W83 HydrophobicContact CB-CZ2 3.67Å; K55-W83 VanDerWaalsContact O-CH2 3.28Å; K55-W83 WeakPolarHBondContact O-CH2 3.21Å; I57-W83 HydrophobicContact CG2-CH2 3.64Å; I57-W83 HydrophobicContact CG2-CZ2 4.18Å; K77-W83 HydrophobicContact CB-CZ2 4.22Å; K77-W83 HydrophobicContact CD-CZ2 4.31Å; K77-W83 HydrophobicContact CG-CZ2 3.71Å; E81-W83 VanDerWaalsContact O-CD1 3.29Å; W83-Q85 WeakPolarHBondContact CB-O 3.33Å; W83-Q85 PolarHBondContact O-N 2.96Å; W83-L86 HydrophobicContact CE3-CD1 4.42Å; W83-L86 HydrophobicContact CZ3-CD1 4.22Å
84N85.8Confident83.1Confident133 Ų13375.3 Ų75.371%0.71138%0.381SS*.SBendtrans58-8.6-172.1-56.6-45.3000114.7E12E12-N84 WeakPolarHBondContact OE1-CA 3.33Å; E12-N84 PolarHBondContact OE1-N 2.94Å
85Q86.7Confident82.7Confident61 Ų6180.7 Ų80.729%0.28540%0.402SS..  trans-150.5128-178175.7166.65.800109Y54 W83 I87 D89Y54-Q85 WeakPolarHBondContact CB-O 3.48Å; W83-Q85 WeakPolarHBondContact CB-O 3.33Å; W83-Q85 PolarHBondContact O-N 2.96Å; Q85-I87 VanDerWaalsContact CG-O 3.23Å; Q85-I87 WeakPolarHBondContact CG-O 3.47Å; Q85-I87 PolarHBondContact NE2-O 3.01Å; Q85-D89 PolarHBondContact NE2-OD1 3.3Å; Q85-D89 PolarHBondContact NE2-OD2 3.41Å
86L85.7Confident82.3Confident5 Ų586.6 Ų86.63%0.02642%0.424CS..SBendtrans-84.4-43.5178.8-178.167.7000112.4F8 W10 V17 L19 L53 Y54 W83F8-L86 HydrophobicContact CE2-CD2 4.06Å; W10-L86 HydrophobicContact CB-CD2 3.99Å; W10-L86 HydrophobicContact CD2-CB 3.94Å; W10-L86 HydrophobicContact CD2-CD2 4.26Å; W10-L86 HydrophobicContact CE3-CB 4.32Å; W10-L86 HydrophobicContact CG-CB 4.31Å; W10-L86 HydrophobicContact CG-CD2 3.8Å; W10-L86 HydrophobicContact CZ2-CB 4.18Å; V17-L86 HydrophobicContact CG1-CD1 3.73Å; L19-L86 HydrophobicContact CD1-CD2 3.97Å; L53-L86 CarbonylContact C-O 3.54Å; L53-L86 WeakPolarHBondContact CA-O 3.29Å; L53-L86 HydrophobicContact CD2-CD1 3.87Å; L53-L86 HydrophobicContact CD2-CG 4.47Å; Y54-L86 PolarHBondContact N-O 3.23Å; W83-L86 HydrophobicContact CE3-CD1 4.42Å; W83-L86 HydrophobicContact CZ3-CD1 4.22Å
87I85Confident81.9Confident56 Ų5684.5 Ų84.529%0.28742%0.416SS..BIsolated β-bridgetrans-96.9130.1-169.8-63.6168.5000109.5F8 A52 Q85 D89 M91F8-I87 HydrophobicContact CE1-CD1 4.49Å; F8-I87 HydrophobicContact CE2-CD1 4.49Å; F8-I87 HydrophobicContact CZ-CD1 3.72Å; A52-I87 WeakPolarHBondContact O-CA 3.44Å; Q85-I87 VanDerWaalsContact CG-O 3.23Å; Q85-I87 WeakPolarHBondContact CG-O 3.47Å; Q85-I87 PolarHBondContact NE2-O 3.01Å; I87-D89 PolarHBondContact O-N 3.4Å; I87-M91 HydrophobicContact CG2-CG 3.52Å
88L81.4Confident81.7Confident39 Ų3988.1 Ų88.120%0.20444%0.435CS..  trans-61.9124.1171-169.570.7000110.5A52 Y54 D90 M91 I100A52-L88 HydrophobicContact CB-CB 4.44Å; A52-L88 PolarHBondContact O-N 3.48Å; Y54-L88 HydrophobicContact CD2-CD1 4.01Å; L88-D90 HydrophobicContact CD2-CB 3.98Å; L88-D90 HydrophobicContact CG-CB 4.05Å; L88-D90 PolarHBondContact O-N 2.9Å; L88-M91 WeakPolarHBondContact O-CG 3.33Å; L88-M91 PolarHBondContact O-N 3.13Å; L88-I100 HydrophobicContact CD2-CD1 3.88Å
89D69Low81.6Confident119 Ų11991 Ų9164%0.63644%0.442SS*.G310 helixtrans-54.8-20.9-178-83.8-28.9000114.4Q85 I87 M91Q85-D89 PolarHBondContact NE2-OD1 3.3Å; Q85-D89 PolarHBondContact NE2-OD2 3.41Å; I87-D89 PolarHBondContact O-N 3.4Å; D89-M91 PolarHBondContact O-N 3.36Å
90D59.8Low81.6Confident53 Ų5387 Ų8728%0.28342%0.42SS..G310 helixtrans-65.91.5178-77.1-21.5000114.9L88 K92 D93 R96L88-D90 HydrophobicContact CD2-CB 3.98Å; L88-D90 HydrophobicContact CG-CB 4.05Å; L88-D90 PolarHBondContact O-N 2.9Å; D90-K92 PolarHBondContact O-N 2.87Å; D90-D93 PolarHBondContact O-N 3.49Å; D90-R96 VanDerWaalsContact CG-NH1 3.3Å; D90-R96 IonicContact OD1-NH1 3.09Å; D90-R96 PolarHBondContact OD1-NH1 2.85Å; D90-R96 VanDerWaalsContact OD2-CD 3.28Å; D90-R96 WeakPolarHBondContact OD2-CD 3.46Å; D90-R96 IonicContact OD2-CZ 3.4Å; D90-R96 IonicContact OD2-NE 3.36Å; D90-R96 IonicContact OD2-NH1 3.89Å; D90-R96 PolarHBondContact OD2-NH1 3.16Å
91M61.2Low81.7Confident71 Ų7185.7 Ų85.735%0.3540%0.401SS..G310 helixtrans-55.2-18.8172.3-74.5-68-74.600113.5A52 I87 L88 D89 L97A52-M91 HydrophobicContact CB-SD 4.18Å; I87-M91 HydrophobicContact CG2-CG 3.52Å; L88-M91 WeakPolarHBondContact O-CG 3.33Å; L88-M91 PolarHBondContact O-N 3.13Å; D89-M91 PolarHBondContact O-N 3.36Å; M91-L97 HydrophobicContact CE-CD1 4.48Å; M91-L97 HydrophobicContact CE-CD2 4.23Å; M91-L97 HydrophobicContact SD-CD1 3.62Å; M91-L97 HydrophobicContact SD-CD2 4.11Å; M91-L97 HydrophobicContact SD-CG 4.44Å
92K66.4Low81.9Confident205 Ų20587.4 Ų87.489%0.89141%0.409SS*.G310 helixtrans-75.2-26.3173.9-64.4-178.3-176173.70113.3D90 R94D90-K92 PolarHBondContact O-N 2.87Å; K92-R94 PolarHBondContact O-N 3.11Å
93D77.9Confident82.1Confident70 Ų7086.9 Ų86.937%0.37441%0.407SS..  trans-92.4102178.4-169.6-3.7000110.9D90 K95 R96 L97D90-D93 PolarHBondContact O-N 3.49Å; D93-K95 PolarHBondContact O-N 3.1Å; D93-K95 VanDerWaalsContact O-N 3.12Å; D93-K95 PolarHBondContact OD1-N 3.13Å; D93-K95 VanDerWaalsContact OD1-N 3.15Å; D93-R96 HydrophobicContact CB-CB 4.4Å; D93-R96 HydrophobicContact CB-CG 4.38Å; D93-R96 PolarHBondContact O-N 2.9Å; D93-R96 IonicContact OD2-NE 2.91Å; D93-L97 PolarHBondContact O-N 3.43Å
94R82Confident82.4Confident199 Ų19986.5 Ų86.575%0.75141%0.406SS*.Hα-helixtrans-55.1-32.3-179.4-173.9176.5178.1176.20112.8K92 L98K92-R94 PolarHBondContact O-N 3.11Å; R94-L98 HydrophobicContact CG-CD1 4.18Å; R94-L98 WeakPolarHBondContact O-CB 3.47Å; R94-L98 WeakPolarHBondContact O-CD1 3.27Å; R94-L98 VanDerWaalsContact O-CG 3.27Å; R94-L98 WeakPolarHBondContact O-CG 3.47Å; R94-L98 PolarHBondContact O-N 2.99Å; R94-L98 VanDerWaalsContact O-N 3.14Å
95K86.1Confident82.6Confident170 Ų17084.1 Ų84.174%0.73939%0.392SS*.Hα-helixtrans-70.4-45.8-178.5-71.9-175.8179.3179.20111.7D93 L98 Q99D93-K95 PolarHBondContact O-N 3.1Å; D93-K95 VanDerWaalsContact O-N 3.12Å; D93-K95 PolarHBondContact OD1-N 3.13Å; D93-K95 VanDerWaalsContact OD1-N 3.15Å; K95-L98 PolarHBondContact O-N 3.24Å; K95-Q99 PolarHBondContact O-N 3.37Å; K95-Q99 VanDerWaalsContact O-N 3.09Å
96R84.8Confident83Confident125 Ų12585.6 Ų85.647%0.47240%0.402SS..Hα-helixtrans-63.4-44.1177.7-70.9-172.6-178.9-167.20.2111.5D90 D93 L98 Q99 I100D90-R96 VanDerWaalsContact CG-NH1 3.3Å; D90-R96 IonicContact OD1-NH1 3.09Å; D90-R96 PolarHBondContact OD1-NH1 2.85Å; D90-R96 VanDerWaalsContact OD2-CD 3.28Å; D90-R96 WeakPolarHBondContact OD2-CD 3.46Å; D90-R96 IonicContact OD2-CZ 3.4Å; D90-R96 IonicContact OD2-NE 3.36Å; D90-R96 IonicContact OD2-NH1 3.89Å; D90-R96 PolarHBondContact OD2-NH1 3.16Å; D93-R96 HydrophobicContact CB-CB 4.4Å; D93-R96 HydrophobicContact CB-CG 4.38Å; D93-R96 PolarHBondContact O-N 2.9Å; D93-R96 IonicContact OD2-NE 2.91Å; R96-L98 VanDerWaalsContact C-N 3.32Å; R96-L98 PolarHBondContact O-N 3.49Å; R96-Q99 WeakPolarHBondContact O-CB 3.49Å; R96-Q99 PolarHBondContact O-N 2.83Å; R96-Q99 VanDerWaalsContact O-N 3.13Å; R96-I100 WeakPolarHBondContact O-CG1 3.42Å; R96-I100 PolarHBondContact O-N 3.07Å
97L83.9Confident83.3Confident25 Ų2588 Ų8813%0.13141%0.413CS..Hα-helixtrans-60.6-40.9177.3-177.760000112.3A52 M91 D93 Q99 I100 K101A52-L97 HydrophobicContact CB-CD1 4.47Å; M91-L97 HydrophobicContact CE-CD1 4.48Å; M91-L97 HydrophobicContact CE-CD2 4.23Å; M91-L97 HydrophobicContact SD-CD1 3.62Å; M91-L97 HydrophobicContact SD-CD2 4.11Å; M91-L97 HydrophobicContact SD-CG 4.44Å; D93-L97 PolarHBondContact O-N 3.43Å; L97-Q99 VanDerWaalsContact C-N 3.34Å; L97-I100 PolarHBondContact O-N 3.33Å; L97-K101 HydrophobicContact CG-CD 4.41Å; L97-K101 WeakPolarHBondContact O-CB 3.43Å; L97-K101 VanDerWaalsContact O-CG 3.3Å; L97-K101 WeakPolarHBondContact O-CG 3.42Å; L97-K101 PolarHBondContact O-N 3.04Å
98L87.1Confident83.6Confident88 Ų8888.1 Ų88.146%0.46141%0.412SS..Hα-helixtrans-62.5-41.3175-77.3167.6000111.9R94 K95 R96 K101 Q102R94-L98 HydrophobicContact CG-CD1 4.18Å; R94-L98 WeakPolarHBondContact O-CB 3.47Å; R94-L98 WeakPolarHBondContact O-CD1 3.27Å; R94-L98 VanDerWaalsContact O-CG 3.27Å; R94-L98 WeakPolarHBondContact O-CG 3.47Å; R94-L98 PolarHBondContact O-N 2.99Å; R94-L98 VanDerWaalsContact O-N 3.14Å; K95-L98 PolarHBondContact O-N 3.24Å; R96-L98 VanDerWaalsContact C-N 3.32Å; R96-L98 PolarHBondContact O-N 3.49Å; L98-K101 PolarHBondContact O-N 3.15Å; L98-Q102 WeakPolarHBondContact O-CG 3.3Å; L98-Q102 PolarHBondContact O-N 2.96Å
99Q90Very high84.2Confident118 Ų11891.3 Ų91.355%0.55143%0.426SS*.Hα-helixtrans-65.6-43.5178-170.4169.413.800112K95 R96 L97 K101 Q102 N103K95-Q99 PolarHBondContact O-N 3.37Å; K95-Q99 VanDerWaalsContact O-N 3.09Å; R96-Q99 WeakPolarHBondContact O-CB 3.49Å; R96-Q99 PolarHBondContact O-N 2.83Å; R96-Q99 VanDerWaalsContact O-N 3.13Å; L97-Q99 VanDerWaalsContact C-N 3.34Å; Q99-K101 VanDerWaalsContact C-N 3.32Å; Q99-K101 PolarHBondContact O-N 3.04Å; Q99-Q102 PolarHBondContact O-N 3.31Å; Q99-N103 VanDerWaalsContact O-CG 3.28Å; Q99-N103 PolarHBondContact O-N 2.87Å
100I89.5Confident85.3Confident23 Ų2390.7 Ų90.712%0.11842%0.419CS..Hα-helixtrans-60.2-44.3175.2-66.8166.4000110.4Y39 A52 L88 R96 L97 Q102 N103 A104Y39-I100 HydrophobicContact CD2-CG2 4.34Å; A52-I100 HydrophobicContact CB-CD1 4.37Å; A52-I100 HydrophobicContact CB-CG2 4.45Å; L88-I100 HydrophobicContact CD2-CD1 3.88Å; R96-I100 WeakPolarHBondContact O-CG1 3.42Å; R96-I100 PolarHBondContact O-N 3.07Å; L97-I100 PolarHBondContact O-N 3.33Å; I100-Q102 PolarHBondContact O-N 3.2Å; I100-N103 PolarHBondContact O-N 3.24Å; I100-A104 VanDerWaalsContact O-CB 3.3Å; I100-A104 WeakPolarHBondContact O-CB 3.47Å; I100-A104 PolarHBondContact O-N 3.47Å
101K90.3Very high86.8Confident49 Ų4990 Ų9021%0.21341%0.412CS..Hα-helixtrans-61.9-41.4176.5-73.1179.8-174.2-171.30112.2Y39 E50 L97 L98 Q99 A104 I105Y39-K101 HydrophobicContact CD2-CG 4.44Å; Y39-K101 HydrophobicContact CE1-CG 4.39Å; Y39-K101 HydrophobicContact CE2-CD 4.48Å; Y39-K101 HydrophobicContact CE2-CG 3.85Å; Y39-K101 WeakPolarHBondContact OH-CE 3.48Å; E50-K101 IonicContact OE1-NZ 3.89Å; E50-K101 PolarHBondContact OE1-NZ 3.09Å; E50-K101 IonicContact OE2-NZ 2.68Å; E50-K101 PolarHBondContact OE2-NZ 2.92Å; L97-K101 HydrophobicContact CG-CD 4.41Å; L97-K101 WeakPolarHBondContact O-CB 3.43Å; L97-K101 VanDerWaalsContact O-CG 3.3Å; L97-K101 WeakPolarHBondContact O-CG 3.42Å; L97-K101 PolarHBondContact O-N 3.04Å; L98-K101 PolarHBondContact O-N 3.15Å; Q99-K101 VanDerWaalsContact C-N 3.32Å; Q99-K101 PolarHBondContact O-N 3.04Å; K101-A104 PolarHBondContact O-N 2.98Å; K101-I105 WeakPolarHBondContact O-CD1 3.37Å; K101-I105 VanDerWaalsContact O-CG1 3.26Å; K101-I105 WeakPolarHBondContact O-CG1 3.36Å; K101-I105 PolarHBondContact O-N 3.49Å; K101-I105 VanDerWaalsContact O-N 3.09Å
102Q91.8Very high88.1Confident121 Ų12190.5 Ų90.557%0.56541%0.414SS*.Hα-helixtrans-64.7-46.3176.8-75.6175.7-9.300111.8L98 Q99 I100 A104 I105 L106L98-Q102 WeakPolarHBondContact O-CG 3.3Å; L98-Q102 PolarHBondContact O-N 2.96Å; Q99-Q102 PolarHBondContact O-N 3.31Å; I100-Q102 PolarHBondContact O-N 3.2Å; Q102-A104 VanDerWaalsContact C-N 3.32Å; Q102-A104 PolarHBondContact O-N 3.08Å; Q102-I105 PolarHBondContact O-N 3.24Å; Q102-L106 WeakPolarHBondContact O-CG 3.36Å; Q102-L106 PolarHBondContact O-N 3.47Å
103N92.9Very high89.4Confident85 Ų8586.8 Ų86.846%0.45540%0.401SS..Hα-helixtrans-61.4-41.4177.2-68.7-9.2000111.6Q99 I100 I105 L106 E107Q99-N103 VanDerWaalsContact O-CG 3.28Å; Q99-N103 PolarHBondContact O-N 2.87Å; I100-N103 PolarHBondContact O-N 3.24Å; N103-I105 VanDerWaalsContact C-N 3.34Å; N103-I105 PolarHBondContact O-N 3.49Å; N103-L106 PolarHBondContact O-N 2.81Å; N103-E107 WeakPolarHBondContact O-CB 3.49Å; N103-E107 PolarHBondContact O-N 2.93Å
104A92.5Very high90.1Very high2 Ų290.2 Ų90.22%0.01741%0.413CS..Hα-helixtrans-60.5-42.4175.800000112.1T36 Y39 I100 K101 Q102 E107 H108T36-A104 HydrophobicContact CG2-CB 3.85Å; T36-A104 VanDerWaalsContact CG2-O 3.3Å; T36-A104 WeakPolarHBondContact CG2-O 3.49Å; T36-A104 WeakPolarHBondContact OG1-CB 3.43Å; Y39-A104 HydrophobicContact CD1-CB 3.95Å; Y39-A104 HydrophobicContact CG-CB 4.17Å; I100-A104 VanDerWaalsContact O-CB 3.3Å; I100-A104 WeakPolarHBondContact O-CB 3.47Å; I100-A104 PolarHBondContact O-N 3.47Å; K101-A104 PolarHBondContact O-N 2.98Å; Q102-A104 VanDerWaalsContact C-N 3.32Å; Q102-A104 PolarHBondContact O-N 3.08Å; A104-E107 PolarHBondContact O-N 3.2Å; A104-H108 WeakPolarHBondContact O-CB 3.31Å; A104-H108 PolarHBondContact O-N 2.97Å
105I91.5Very high90.6Very high83 Ų8385.6 Ų85.643%0.42640%0.395SS..Hα-helixtrans-63.8-44.9176.7-68165.3000110.8K101 Q102 N103 H108 Q109K101-I105 WeakPolarHBondContact O-CD1 3.37Å; K101-I105 VanDerWaalsContact O-CG1 3.26Å; K101-I105 WeakPolarHBondContact O-CG1 3.36Å; K101-I105 PolarHBondContact O-N 3.49Å; K101-I105 VanDerWaalsContact O-N 3.09Å; Q102-I105 PolarHBondContact O-N 3.24Å; N103-I105 VanDerWaalsContact C-N 3.34Å; N103-I105 PolarHBondContact O-N 3.49Å; I105-H108 PolarHBondContact O-N 3.08Å; I105-Q109 HydrophobicContact CG2-CG 4.45Å; I105-Q109 WeakPolarHBondContact O-CB 3.36Å; I105-Q109 VanDerWaalsContact O-CG 3.28Å; I105-Q109 WeakPolarHBondContact O-CG 3.16Å; I105-Q109 PolarHBondContact O-N 3.24Å
106L93.4Very high90.9Very high92 Ų9279.8 Ų79.848%0.48238%0.379SS..Hα-helixtrans-62.9-46.4177.9-69173000111.7Q102 N103 H108 Q109 E110Q102-L106 WeakPolarHBondContact O-CG 3.36Å; Q102-L106 PolarHBondContact O-N 3.47Å; N103-L106 PolarHBondContact O-N 2.81Å; L106-H108 VanDerWaalsContact C-N 3.33Å; L106-H108 PolarHBondContact O-N 3.41Å; L106-Q109 PolarHBondContact O-N 3.41Å; L106-E110 WeakPolarHBondContact O-CG 3.49Å; L106-E110 PolarHBondContact O-N 3.34Å
107E93.1Very high91.4Very high55 Ų5580.1 Ų80.126%0.25738%0.384SS..Hα-helixtrans-57.9-45.3177.2-173.9-167.2142.800111.4S37 N103 A104 R111S37-E107 WeakPolarHBondContact CB-OE2 3.28Å; S37-E107 PolarHBondContact N-OE1 3.01Å; S37-E107 PolarHBondContact N-OE2 3.23Å; S37-E107 PolarHBondContact OG-OE2 3.47Å; N103-E107 WeakPolarHBondContact O-CB 3.49Å; N103-E107 PolarHBondContact O-N 2.93Å; A104-E107 PolarHBondContact O-N 3.2Å; E107-R111 WeakPolarHBondContact O-CB 3.32Å; E107-R111 PolarHBondContact O-N 2.9Å
108H92Very high91.9Very high59 Ų5981.3 Ų81.327%0.27340%0.397SS..Hα-helixtrans-64.7-44.6177.3-178.962.7000111.8L34 T36 A104 I105 L106 E110 R111 E112L34-H108 HydrophobicContact CD1-CB 3.63Å; L34-H108 VanDerWaalsContact CD1-CG 3.43Å; T36-H108 HydrophobicContact CG2-CB 4.25Å; A104-H108 WeakPolarHBondContact O-CB 3.31Å; A104-H108 PolarHBondContact O-N 2.97Å; I105-H108 PolarHBondContact O-N 3.08Å; L106-H108 VanDerWaalsContact C-N 3.33Å; L106-H108 PolarHBondContact O-N 3.41Å; H108-E110 PolarHBondContact O-N 3.48Å; H108-R111 PolarHBondContact ND1-NH2 2.8Å; H108-R111 PolarHBondContact O-N 3.29Å; H108-E112 IonicContact CE1-OE1 3.67Å; H108-E112 WeakPolarHBondContact O-CG 3.36Å; H108-E112 PolarHBondContact O-N 2.81Å
109Q92.9Very high92.1Very high105 Ų10582 Ų8249%0.49140%0.401SS..Hα-helixtrans-60.9-45.3176.9-75.4175.9-4.600112.3I105 L106 R111 E112 M113I105-Q109 HydrophobicContact CG2-CG 4.45Å; I105-Q109 WeakPolarHBondContact O-CB 3.36Å; I105-Q109 VanDerWaalsContact O-CG 3.28Å; I105-Q109 WeakPolarHBondContact O-CG 3.16Å; I105-Q109 PolarHBondContact O-N 3.24Å; L106-Q109 PolarHBondContact O-N 3.41Å; Q109-R111 VanDerWaalsContact C-N 3.33Å; Q109-R111 PolarHBondContact O-N 3.35Å; Q109-E112 PolarHBondContact O-N 2.82Å; Q109-M113 WeakPolarHBondContact O-CB 3.37Å; Q109-M113 WeakPolarHBondContact O-CG 3.4Å; Q109-M113 PolarHBondContact O-N 3.33Å
110E93.1Very high92.3Very high107 Ų10783.6 Ų83.650%0.541%0.407SS..Hα-helixtrans-62-41176.7-75.8-173.2-175.100112.3L106 H108 M113 K114L106-E110 WeakPolarHBondContact O-CG 3.49Å; L106-E110 PolarHBondContact O-N 3.34Å; H108-E110 PolarHBondContact O-N 3.48Å; E110-M113 PolarHBondContact O-N 3.09Å; E110-K114 WeakPolarHBondContact O-CB 3.33Å; E110-K114 WeakPolarHBondContact O-CG 3.29Å; E110-K114 PolarHBondContact O-N 3.49Å
111R91.2Very high92.4Very high37 Ų3787.1 Ų87.114%0.1442%0.423CS..Hα-helixtrans-65.2-45177.6-177.3166.558.1109.5-1.8111.8I35 V59 E60 E107 H108 Q109 M113 K114 R115I35-R111 PolarHBondContact O-NH2 2.83Å; V59-R111 VanDerWaalsContact CG1-CZ 3.47Å; E60-R111 WeakPolarHBondContact OE1-CD 3.34Å; E107-R111 WeakPolarHBondContact O-CB 3.32Å; E107-R111 PolarHBondContact O-N 2.9Å; H108-R111 PolarHBondContact ND1-NH2 2.8Å; H108-R111 PolarHBondContact O-N 3.29Å; Q109-R111 VanDerWaalsContact C-N 3.33Å; Q109-R111 PolarHBondContact O-N 3.35Å; R111-M113 VanDerWaalsContact C-N 3.35Å; R111-M113 PolarHBondContact O-N 2.97Å; R111-K114 PolarHBondContact O-N 3.45Å; R111-R115 WeakPolarHBondContact O-CG 3.29Å; R111-R115 PolarHBondContact O-N 3.27Å
112E88.9Confident92.5Very high82 Ų8290.9 Ų90.938%0.38344%0.442SS..Hα-helixtrans-63.6-39.8175.4-70-57.5117.500111.5H108 Q109 R115 A116H108-E112 IonicContact CE1-OE1 3.67Å; H108-E112 WeakPolarHBondContact O-CG 3.36Å; H108-E112 PolarHBondContact O-N 2.81Å; Q109-E112 PolarHBondContact O-N 2.82Å; E112-R115 PolarHBondContact O-N 3.4Å; E112-R115 IonicContact OE1-NH1 3.25Å; E112-A116 VanDerWaalsContact O-CB 3.32Å; E112-A116 WeakPolarHBondContact O-CB 2.84Å; E112-A116 PolarHBondContact O-N 3.1Å
113M93Very high92.5Very high127 Ų12789 Ų8963%0.62644%0.436SS*.Hα-helixtrans-63.3-42.4173.2-75.5-159.5-6500112.7Q109 E110 R111 A116 K117Q109-M113 WeakPolarHBondContact O-CB 3.37Å; Q109-M113 WeakPolarHBondContact O-CG 3.4Å; Q109-M113 PolarHBondContact O-N 3.33Å; E110-M113 PolarHBondContact O-N 3.09Å; R111-M113 VanDerWaalsContact C-N 3.35Å; R111-M113 PolarHBondContact O-N 2.97Å; M113-A116 PolarHBondContact O-N 3.23Å; M113-K117 WeakPolarHBondContact O-CB 3Å; M113-K117 PolarHBondContact O-N 2.9Å
114K93.1Very high92.5Very high143 Ų14389.4 Ų89.462%0.62244%0.442SS*.Hα-helixtrans-62.3-44.6175.7-76.5173.4-176.8169.20111.4E110 R111 K117 A118E110-K114 WeakPolarHBondContact O-CB 3.33Å; E110-K114 WeakPolarHBondContact O-CG 3.29Å; E110-K114 PolarHBondContact O-N 3.49Å; R111-K114 PolarHBondContact O-N 3.45Å; K114-K117 PolarHBondContact O-N 2.96Å; K114-A118 WeakPolarHBondContact O-CB 3.49Å; K114-A118 PolarHBondContact O-N 3.42Å
115R91.4Very high92.5Very high101 Ų10198 Ų9838%0.38147%0.474SS..Hα-helixtrans-62.3-44.8175.5-73.3174.5174.1-167.9-7.5111.7E60 R111 E112 K117 A118 N119E60-R115 IonicContact OE1-NH2 2.7Å; E60-R115 IonicContact OE2-CZ 3.28Å; E60-R115 IonicContact OE2-NH2 2.83Å; E60-R115 PolarHBondContact OE2-NH2 3.18Å; R111-R115 WeakPolarHBondContact O-CG 3.29Å; R111-R115 PolarHBondContact O-N 3.27Å; E112-R115 PolarHBondContact O-N 3.4Å; E112-R115 IonicContact OE1-NH1 3.25Å; R115-K117 PolarHBondContact O-N 2.94Å; R115-A118 PolarHBondContact O-N 2.95Å; R115-N119 WeakPolarHBondContact O-CB 3.12Å; R115-N119 VanDerWaalsContact O-CG 3.29Å; R115-N119 PolarHBondContact O-N 2.93Å
116A93Very high92.6Very high48 Ų4896 Ų9640%0.39747%0.473SS..Hα-helixtrans-61.9-41.417600000112.4E112 M113 K120E112-A116 VanDerWaalsContact O-CB 3.32Å; E112-A116 WeakPolarHBondContact O-CB 2.84Å; E112-A116 PolarHBondContact O-N 3.1Å; M113-A116 PolarHBondContact O-N 3.23Å; A116-K120 WeakPolarHBondContact O-CG 3.47Å; A116-K120 PolarHBondContact O-N 3.37Å; A116-K120 VanDerWaalsContact O-N 3.08Å
117K94.3Very high92.5Very high133 Ų13397.7 Ų97.758%0.57848%0.477SS*.Hα-helixtrans-64.5-46.6175.3-174.7178.6174.7-177.20111.6M113 K114 R115 N119 K120 E121M113-K117 WeakPolarHBondContact O-CB 3Å; M113-K117 PolarHBondContact O-N 2.9Å; K114-K117 PolarHBondContact O-N 2.96Å; R115-K117 PolarHBondContact O-N 2.94Å; K117-N119 VanDerWaalsContact C-N 3.34Å; K117-N119 PolarHBondContact O-N 3.45Å; K117-K120 PolarHBondContact O-N 3.39Å; K117-E121 WeakPolarHBondContact CE-OE1 3.33Å; K117-E121 WeakPolarHBondContact O-CG 3.49Å; K117-E121 PolarHBondContact O-N 3.38Å
118A94.3Very high92.6Very high50 Ų50101.3 Ų101.341%0.41349%0.491SS..Hα-helixtrans-61-41.3177.200000112.3K114 R115 E121 M122K114-A118 WeakPolarHBondContact O-CB 3.49Å; K114-A118 PolarHBondContact O-N 3.42Å; R115-A118 PolarHBondContact O-N 2.95Å; A118-E121 PolarHBondContact O-N 2.95Å; A118-M122 WeakPolarHBondContact O-CB 3.43Å; A118-M122 PolarHBondContact O-N 3.23Å
119N93Very high92.7Very high101 Ų101105.4 Ų105.454%0.5451%0.506SS..Hα-helixtrans-62.4-42.8175.4-74.5-11000112R115 K117 M122 D123R115-N119 WeakPolarHBondContact O-CB 3.12Å; R115-N119 VanDerWaalsContact O-CG 3.29Å; R115-N119 PolarHBondContact O-N 2.93Å; K117-N119 VanDerWaalsContact C-N 3.34Å; K117-N119 PolarHBondContact O-N 3.45Å; N119-M122 PolarHBondContact O-N 2.97Å; N119-D123 PolarHBondContact O-N 2.87Å
120K92.6Very high92.8Very high153 Ų153102.7 Ų102.767%0.66550%0.501SS*.Hα-helixtrans-63.5-44.1174.8-73.4177.2-178.5-177.80111.9A116 K117 M122 D123 V124A116-K120 WeakPolarHBondContact O-CG 3.47Å; A116-K120 PolarHBondContact O-N 3.37Å; A116-K120 VanDerWaalsContact O-N 3.08Å; K117-K120 PolarHBondContact O-N 3.39Å; K120-M122 VanDerWaalsContact C-N 3.32Å; K120-M122 PolarHBondContact O-N 3.4Å; K120-D123 PolarHBondContact O-N 3.14Å; K120-V124 VanDerWaalsContact O-CG2 3.29Å; K120-V124 WeakPolarHBondContact O-CG2 3.43Å; K120-V124 PolarHBondContact O-N 2.86Å
121E92.9Very high92.7Very high97 Ų97102.4 Ų102.445%0.45350%0.502SS..Hα-helixtrans-63.3-38.1176.5-73.6176.3-172.200112.1K117 A118 R125K117-E121 WeakPolarHBondContact CE-OE1 3.33Å; K117-E121 WeakPolarHBondContact O-CG 3.49Å; K117-E121 PolarHBondContact O-N 3.38Å; A118-E121 PolarHBondContact O-N 2.95Å; E121-R125 VanDerWaalsContact O-CB 3.3Å; E121-R125 WeakPolarHBondContact O-CB 3.23Å; E121-R125 PolarHBondContact O-N 2.91Å
122M91.6Very high92.9Very high127 Ų127104.5 Ų104.563%0.62651%0.514SS*.Hα-helixtrans-65.2-44.9175-171.4-17668.700111.7A118 N119 K120 R125 G126A118-M122 WeakPolarHBondContact O-CB 3.43Å; A118-M122 PolarHBondContact O-N 3.23Å; N119-M122 PolarHBondContact O-N 2.97Å; K120-M122 VanDerWaalsContact C-N 3.32Å; K120-M122 PolarHBondContact O-N 3.4Å; M122-R125 PolarHBondContact O-N 3.35Å; M122-G126 PolarHBondContact O-N 3.01Å
123D91.4Very high93.1Very high81 Ų81103.6 Ų103.643%0.43351%0.51SS..Hα-helixtrans-60.6-46.3175.9177.752.3000111.6N119 K120 R125 G126 K127N119-D123 PolarHBondContact O-N 2.87Å; K120-D123 PolarHBondContact O-N 3.14Å; D123-R125 VanDerWaalsContact C-N 3.34Å; D123-R125 PolarHBondContact O-N 2.81Å; D123-G126 PolarHBondContact O-N 3.28Å; D123-K127 WeakPolarHBondContact O-CG 3.37Å; D123-K127 PolarHBondContact O-N 3.43Å; D123-K127 WeakPolarHBondContact OD1-CE 3.36Å; D123-K127 IonicContact OD1-NZ 3.76Å; D123-K127 VanDerWaalsContact OD2-CE 3.31Å; D123-K127 WeakPolarHBondContact OD2-CE 3.25Å; D123-K127 IonicContact OD2-NZ 3.35Å; D123-K127 PolarHBondContact OD2-NZ 2.75Å
124V92.7Very high93.2Very high95 Ų95102.5 Ų102.558%0.57651%0.505SS*.Hα-helixtrans-60.6-43.1175.3172.30000111.4K120 K127 K128K120-V124 VanDerWaalsContact O-CG2 3.29Å; K120-V124 WeakPolarHBondContact O-CG2 3.43Å; K120-V124 PolarHBondContact O-N 2.86Å; V124-K127 PolarHBondContact O-N 3.24Å; V124-K128 WeakPolarHBondContact O-CB 3.41Å; V124-K128 PolarHBondContact O-N 3.44Å
125R93.5Very high93.2Very high183 Ų183100.2 Ų100.269%0.69150%0.498SS*.Hα-helixtrans-63.4-41.9176.5-170-173.8-57-172.92.7111.6E121 M122 D123 K128 Y129E121-R125 VanDerWaalsContact O-CB 3.3Å; E121-R125 WeakPolarHBondContact O-CB 3.23Å; E121-R125 PolarHBondContact O-N 2.91Å; M122-R125 PolarHBondContact O-N 3.35Å; D123-R125 VanDerWaalsContact C-N 3.34Å; D123-R125 PolarHBondContact O-N 2.81Å; R125-K128 PolarHBondContact O-N 3.22Å; R125-Y129 WeakPolarHBondContact O-CB 3.23Å; R125-Y129 PolarHBondContact O-N 3.38Å
126G92.6Very high93.4Very high40 Ų40101 Ų10141%0.41250%0.504SS..Hα-helixtrans-61.6-46.517600000112.1M122 D123 K128 Y129 A130M122-G126 PolarHBondContact O-N 3.01Å; D123-G126 PolarHBondContact O-N 3.28Å; G126-K128 PolarHBondContact O-N 2.81Å; G126-Y129 PolarHBondContact O-N 2.92Å; G126-A130 WeakPolarHBondContact O-CB 3.42Å; G126-A130 PolarHBondContact O-N 2.8Å
127K91.5Very high93.3Very high128 Ų128104.6 Ų104.656%0.55752%0.516SS*.Hα-helixtrans-60.4-44.6175-73.8169.1177.31660112.4D123 V124 A130 L131D123-K127 WeakPolarHBondContact O-CG 3.37Å; D123-K127 PolarHBondContact O-N 3.43Å; D123-K127 WeakPolarHBondContact OD1-CE 3.36Å; D123-K127 IonicContact OD1-NZ 3.76Å; D123-K127 VanDerWaalsContact OD2-CE 3.31Å; D123-K127 WeakPolarHBondContact OD2-CE 3.25Å; D123-K127 IonicContact OD2-NZ 3.35Å; D123-K127 PolarHBondContact OD2-NZ 2.75Å; V124-K127 PolarHBondContact O-N 3.24Å; K127-A130 PolarHBondContact O-N 3.43Å; K127-L131 WeakPolarHBondContact O-CB 3.45Å; K127-L131 PolarHBondContact O-N 2.92Å
128K94.8Very high93.2Very high130 Ų130102.4 Ų102.457%0.56551%0.508SS*.Hα-helixtrans-62.2-46.5176.6-176.9178.1175.3-178.40111.7V124 R125 G126 A130 L131 E132V124-K128 WeakPolarHBondContact O-CB 3.41Å; V124-K128 PolarHBondContact O-N 3.44Å; R125-K128 PolarHBondContact O-N 3.22Å; G126-K128 PolarHBondContact O-N 2.81Å; K128-A130 VanDerWaalsContact C-N 3.35Å; K128-A130 PolarHBondContact O-N 3.32Å; K128-L131 PolarHBondContact O-N 3.45Å; K128-E132 WeakPolarHBondContact CE-OE1 3.5Å; K128-E132 WeakPolarHBondContact O-CG 3.39Å; K128-E132 PolarHBondContact O-N 3.37Å
129Y94.4Very high93.2Very high146 Ų146104.3 Ų104.357%0.57351%0.511SS*.Hα-helixtrans-60.1-45.3176.7178.3-99000111.5R125 G126 L131 E132 Q133R125-Y129 WeakPolarHBondContact O-CB 3.23Å; R125-Y129 PolarHBondContact O-N 3.38Å; G126-Y129 PolarHBondContact O-N 2.92Å; Y129-L131 PolarHBondContact O-N 2.82Å; Y129-E132 PolarHBondContact O-N 3.25Å; Y129-Q133 HydrophobicContact CD1-CG 4.36Å; Y129-Q133 HydrophobicContact CE1-CG 3.95Å; Y129-Q133 HydrophobicContact CE2-CG 4.44Å; Y129-Q133 VanDerWaalsContact CE2-NE2 3.35Å; Y129-Q133 WeakPolarHBondContact O-CG 3.4Å; Y129-Q133 PolarHBondContact O-N 3.23Å; Y129-Q133 VanDerWaalsContact O-N 3.07Å; Y129-Q133 PolarHBondContact OH-NE2 2.95Å
130A94.6Very high93.3Very high48 Ų48104.5 Ų104.540%0.39752%0.516SS..Hα-helixtrans-59.3-44.6176.400000112.1G126 K127 K128 Q133 I134G126-A130 WeakPolarHBondContact O-CB 3.42Å; G126-A130 PolarHBondContact O-N 2.8Å; K127-A130 PolarHBondContact O-N 3.43Å; K128-A130 VanDerWaalsContact C-N 3.35Å; K128-A130 PolarHBondContact O-N 3.32Å; A130-Q133 PolarHBondContact O-N 3.41Å; A130-I134 WeakPolarHBondContact O-CG1 2.92Å; A130-I134 PolarHBondContact O-N 3.42Å
131L92.9Very high93.2Very high100 Ų100100.5 Ų100.552%0.52451%0.507SS..Hα-helixtrans-60.8-45.1176.2-179.663.8000112K127 K128 Y129 Q133 I134 M135K127-L131 WeakPolarHBondContact O-CB 3.45Å; K127-L131 PolarHBondContact O-N 2.92Å; K128-L131 PolarHBondContact O-N 3.45Å; Y129-L131 PolarHBondContact O-N 2.82Å; L131-Q133 VanDerWaalsContact C-N 3.3Å; L131-Q133 PolarHBondContact O-N 2.88Å; L131-I134 PolarHBondContact O-N 3.49Å; L131-M135 HydrophobicContact CD1-CG 4.42Å; L131-M135 HydrophobicContact CG-CG 4.48Å; L131-M135 HydrophobicContact CG-SD 4.14Å; L131-M135 WeakPolarHBondContact O-CG 3.46Å; L131-M135 PolarHBondContact O-N 2.87Å
132E94.6Very high93.2Very high81 Ų81102.9 Ų102.938%0.37951%0.512SS..Hα-helixtrans-60.6-38.2177.5-75.8176.7-169.800112.2K128 Y129 K136K128-E132 WeakPolarHBondContact CE-OE1 3.5Å; K128-E132 WeakPolarHBondContact O-CG 3.39Å; K128-E132 PolarHBondContact O-N 3.37Å; Y129-E132 PolarHBondContact O-N 3.25Å; E132-K136 WeakPolarHBondContact O-CG 3.44Å; E132-K136 PolarHBondContact O-N 2.92Å
133Q93.2Very high93.3Very high64 Ų64100.1 Ų100.130%0.29950%0.497SS..Hα-helixtrans-67.4-42.1175.3-62.7-54-37.900111.9Y129 A130 L131 K136 L137Y129-Q133 HydrophobicContact CD1-CG 4.36Å; Y129-Q133 HydrophobicContact CE1-CG 3.95Å; Y129-Q133 HydrophobicContact CE2-CG 4.44Å; Y129-Q133 VanDerWaalsContact CE2-NE2 3.35Å; Y129-Q133 WeakPolarHBondContact O-CG 3.4Å; Y129-Q133 PolarHBondContact O-N 3.23Å; Y129-Q133 VanDerWaalsContact O-N 3.07Å; Y129-Q133 PolarHBondContact OH-NE2 2.95Å; A130-Q133 PolarHBondContact O-N 3.41Å; L131-Q133 VanDerWaalsContact C-N 3.3Å; L131-Q133 PolarHBondContact O-N 2.88Å; Q133-K136 PolarHBondContact O-N 3.45Å; Q133-L137 WeakPolarHBondContact O-CG 3.41Å; Q133-L137 PolarHBondContact O-N 3.28Å
134I94.5Very high93.4Very high103 Ų103102.4 Ų102.453%0.52850%0.504SS..Hα-helixtrans-60.9-46.5175.8-67.9166.8000110.4A130 L131 K136 L137 E138A130-I134 WeakPolarHBondContact O-CG1 2.92Å; A130-I134 PolarHBondContact O-N 3.42Å; L131-I134 PolarHBondContact O-N 3.49Å; I134-K136 VanDerWaalsContact C-N 3.31Å; I134-K136 PolarHBondContact O-N 3.34Å; I134-L137 PolarHBondContact O-N 3.4Å; I134-E138 WeakPolarHBondContact O-CB 3.29Å; I134-E138 PolarHBondContact O-N 3.41Å
135M92.4Very high93.4Very high96 Ų96101.9 Ų101.947%0.47350%0.496SS..Hα-helixtrans-60.4-39.3177.7-71.1175.568.900112.3L131 E138 N139L131-M135 HydrophobicContact CD1-CG 4.42Å; L131-M135 HydrophobicContact CG-CG 4.48Å; L131-M135 HydrophobicContact CG-SD 4.14Å; L131-M135 WeakPolarHBondContact O-CG 3.46Å; L131-M135 PolarHBondContact O-N 2.87Å; M135-E138 PolarHBondContact O-N 2.83Å; M135-N139 VanDerWaalsContact O-CB 3.29Å; M135-N139 WeakPolarHBondContact O-CB 3.48Å; M135-N139 PolarHBondContact O-N 3.37Å; M135-N139 PolarHBondContact O-ND2 3.17Å
136K95.6Very high93.4Very high118 Ų118100.2 Ų100.251%0.51349%0.49SS..Hα-helixtrans-62.5-46.9175.2-75.3172-175.6173.50111.6E132 Q133 I134 N139 V140E132-K136 WeakPolarHBondContact O-CG 3.44Å; E132-K136 PolarHBondContact O-N 2.92Å; Q133-K136 PolarHBondContact O-N 3.45Å; I134-K136 VanDerWaalsContact C-N 3.31Å; I134-K136 PolarHBondContact O-N 3.34Å; K136-N139 PolarHBondContact O-N 3.01Å; K136-V140 WeakPolarHBondContact O-CG2 3.26Å; K136-V140 PolarHBondContact O-N 3.31Å; K136-V140 VanDerWaalsContact O-N 3.13Å
137L92.5Very high93.6Very high123 Ų123102.2 Ų102.264%0.64449%0.491SS*.Hα-helixtrans-62-45.5177.2-69.5172.6000111.4Q133 I134 N139 V140 S141Q133-L137 WeakPolarHBondContact O-CG 3.41Å; Q133-L137 PolarHBondContact O-N 3.28Å; I134-L137 PolarHBondContact O-N 3.4Å; L137-N139 PolarHBondContact O-N 2.89Å; L137-V140 PolarHBondContact O-N 3.41Å; L137-S141 PolarHBondContact O-N 3.46Å; L137-S141 PolarHBondContact O-OG 2.73Å
138E92.5Very high93.7Very high87 Ų87100.8 Ų100.841%0.40749%0.486SS..Hα-helixtrans-64.1-40.5179.3-165.1-174.8170.200111.9I134 M135 V140 S141 R142I134-E138 WeakPolarHBondContact O-CB 3.29Å; I134-E138 PolarHBondContact O-N 3.41Å; M135-E138 PolarHBondContact O-N 2.83Å; E138-V140 VanDerWaalsContact C-N 3.34Å; E138-V140 PolarHBondContact O-N 3.28Å; E138-S141 PolarHBondContact O-N 2.91Å; E138-R142 HydrophobicContact CG-CG 4.4Å; E138-R142 WeakPolarHBondContact O-CB 3.4Å; E138-R142 VanDerWaalsContact O-CG 3.27Å; E138-R142 WeakPolarHBondContact O-CG 3.33Å; E138-R142 PolarHBondContact O-N 3.45Å; E138-R142 IonicContact OE1-CZ 2.65Å; E138-R142 IonicContact OE1-NE 2.8Å; E138-R142 PolarHBondContact OE1-NE 3.35Å; E138-R142 IonicContact OE1-NH2 3.89Å; E138-R142 PolarHBondContact OE1-NH2 2.68Å; E138-R142 IonicContact OE2-NH2 2.78Å
139N93.8Very high93.7Very high90 Ų90101.6 Ų101.648%0.48149%0.49SS..Hα-helixtrans-61.8-41175.8-77-20.6000112M135 K136 L137 R142 E143M135-N139 VanDerWaalsContact O-CB 3.29Å; M135-N139 WeakPolarHBondContact O-CB 3.48Å; M135-N139 PolarHBondContact O-N 3.37Å; M135-N139 PolarHBondContact O-ND2 3.17Å; K136-N139 PolarHBondContact O-N 3.01Å; L137-N139 PolarHBondContact O-N 2.89Å; N139-R142 PolarHBondContact O-N 3.5Å; N139-E143 WeakPolarHBondContact O-CB 3.43Å; N139-E143 PolarHBondContact O-N 3.36Å
140V95.4Very high93.6Very high105 Ų10598.6 Ų98.664%0.63648%0.481SS*.Hα-helixtrans-62.4-44174.4172.70000110.9K136 L137 E138 E143 K144K136-V140 WeakPolarHBondContact O-CG2 3.26Å; K136-V140 PolarHBondContact O-N 3.31Å; K136-V140 VanDerWaalsContact O-N 3.13Å; L137-V140 PolarHBondContact O-N 3.41Å; E138-V140 VanDerWaalsContact C-N 3.34Å; E138-V140 PolarHBondContact O-N 3.28Å; V140-E143 PolarHBondContact O-N 3.29Å; V140-K144 PolarHBondContact O-N 3.27Å
141S89.9Confident93.7Very high69 Ų69102 Ų10248%0.48349%0.489SS..Hα-helixtrans-64.1-43176.1-63.70000112.7L137 E138 E143 K144 I145L137-S141 PolarHBondContact O-N 3.46Å; L137-S141 PolarHBondContact O-OG 2.73Å; E138-S141 PolarHBondContact O-N 2.91Å; S141-E143 VanDerWaalsContact C-N 3.34Å; S141-E143 PolarHBondContact O-N 2.92Å; S141-K144 PolarHBondContact O-N 3.21Å; S141-I145 WeakPolarHBondContact O-CG1 3.06Å; S141-I145 PolarHBondContact O-N 3.48Å
142R92Very high93.8Very high146 Ų14699.8 Ų99.855%0.55149%0.485SS*.Hα-helixtrans-61.7-42.3176.8-74.2173.3179.3-155.13.6111.4E138 N139 I145 R146E138-R142 HydrophobicContact CG-CG 4.4Å; E138-R142 WeakPolarHBondContact O-CB 3.4Å; E138-R142 VanDerWaalsContact O-CG 3.27Å; E138-R142 WeakPolarHBondContact O-CG 3.33Å; E138-R142 PolarHBondContact O-N 3.45Å; E138-R142 IonicContact OE1-CZ 2.65Å; E138-R142 IonicContact OE1-NE 2.8Å; E138-R142 PolarHBondContact OE1-NE 3.35Å; E138-R142 IonicContact OE1-NH2 3.89Å; E138-R142 PolarHBondContact OE1-NH2 2.68Å; E138-R142 IonicContact OE2-NH2 2.78Å; N139-R142 PolarHBondContact O-N 3.5Å; R142-I145 PolarHBondContact O-N 2.82Å; R142-R146 WeakPolarHBondContact O-CB 3.47Å; R142-R146 PolarHBondContact O-N 3.37Å
143E93.8Very high93.6Very high69 Ų6999 Ų9932%0.32249%0.488SS..Hα-helixtrans-64.2-43.3177.1-172.855-140.600111.7N139 V140 S141 I145 R146 L147N139-E143 WeakPolarHBondContact O-CB 3.43Å; N139-E143 PolarHBondContact O-N 3.36Å; V140-E143 PolarHBondContact O-N 3.29Å; S141-E143 VanDerWaalsContact C-N 3.34Å; S141-E143 PolarHBondContact O-N 2.92Å; E143-I145 PolarHBondContact O-N 3.21Å; E143-R146 VanDerWaalsContact CD-CZ 3.45Å; E143-R146 WeakPolarHBondContact O-CB 3.5Å; E143-R146 PolarHBondContact O-N 3.13Å; E143-R146 IonicContact OE1-CZ 3.64Å; E143-R146 IonicContact OE1-NE 3.84Å; E143-R146 PolarHBondContact OE1-NE 2.95Å; E143-R146 VanDerWaalsContact OE1-NE 3.09Å; E143-R146 IonicContact OE1-NH2 3.23Å; E143-R146 PolarHBondContact OE1-NH2 3.46Å; E143-R146 IonicContact OE2-CZ 2.83Å; E143-R146 IonicContact OE2-NE 2.82Å; E143-R146 PolarHBondContact OE2-NE 3.36Å; E143-R146 IonicContact OE2-NH1 2.81Å; E143-R146 IonicContact OE2-NH2 3.71Å; E143-R146 PolarHBondContact OE2-NH2 3.02Å; E143-L147 WeakPolarHBondContact O-CG 3.46Å; E143-L147 PolarHBondContact O-N 3.46Å
144K95.3Very high93.7Very high130 Ų130103.1 Ų103.157%0.56550%0.501SS*.Hα-helixtrans-58.5-47.9174-175.1-178.9175-173.70111.8V140 S141 R146 L147 E148V140-K144 PolarHBondContact O-N 3.27Å; S141-K144 PolarHBondContact O-N 3.21Å; K144-R146 VanDerWaalsContact C-N 3.3Å; K144-R146 PolarHBondContact O-N 2.84Å; K144-L147 PolarHBondContact O-N 3.09Å; K144-E148 WeakPolarHBondContact CE-OE1 3.41Å; K144-E148 IonicContact NZ-OE1 3.97Å; K144-E148 WeakPolarHBondContact O-CG 3.41Å; K144-E148 PolarHBondContact O-N 3.15Å
145I92.5Very high93.7Very high83 Ų83104 Ų10443%0.42650%0.503SS..Hα-helixtrans-62.5-37.7177.6-67.5165.5000111.1S141 R142 E143 E148 K149S141-I145 WeakPolarHBondContact O-CG1 3.06Å; S141-I145 PolarHBondContact O-N 3.48Å; R142-I145 PolarHBondContact O-N 2.82Å; E143-I145 PolarHBondContact O-N 3.21Å; I145-E148 PolarHBondContact O-N 2.68Å; I145-K149 HydrophobicContact CG2-CD 4.12Å; I145-K149 HydrophobicContact CG2-CG 4.37Å; I145-K149 WeakPolarHBondContact O-CB 3.45Å; I145-K149 VanDerWaalsContact O-CG 3.32Å; I145-K149 WeakPolarHBondContact O-CG 3.49Å; I145-K149 PolarHBondContact O-N 3.43Å
146R92.7Very high93.8Very high149 Ų149102 Ų10256%0.56250%0.501SS*.Hα-helixtrans-61.2-48176.4-174.6179.675.9171.78.7111.2R142 E143 K144 K149 E150R142-R146 WeakPolarHBondContact O-CB 3.47Å; R142-R146 PolarHBondContact O-N 3.37Å; E143-R146 VanDerWaalsContact CD-CZ 3.45Å; E143-R146 WeakPolarHBondContact O-CB 3.5Å; E143-R146 PolarHBondContact O-N 3.13Å; E143-R146 IonicContact OE1-CZ 3.64Å; E143-R146 IonicContact OE1-NE 3.84Å; E143-R146 PolarHBondContact OE1-NE 2.95Å; E143-R146 VanDerWaalsContact OE1-NE 3.09Å; E143-R146 IonicContact OE1-NH2 3.23Å; E143-R146 PolarHBondContact OE1-NH2 3.46Å; E143-R146 IonicContact OE2-CZ 2.83Å; E143-R146 IonicContact OE2-NE 2.82Å; E143-R146 PolarHBondContact OE2-NE 3.36Å; E143-R146 IonicContact OE2-NH1 2.81Å; E143-R146 IonicContact OE2-NH2 3.71Å; E143-R146 PolarHBondContact OE2-NH2 3.02Å; K144-R146 VanDerWaalsContact C-N 3.3Å; K144-R146 PolarHBondContact O-N 2.84Å; R146-K149 PolarHBondContact O-N 3.36Å; R146-E150 WeakPolarHBondContact O-CB 3.42Å; R146-E150 PolarHBondContact O-N 3.03Å
147L95.9Very high93.7Very high82 Ų82100.9 Ų100.943%0.42950%0.5SS..Hα-helixtrans-63.1-42.9178-69.7169.9000111.8E143 K144 E150 Q151E143-L147 WeakPolarHBondContact O-CG 3.46Å; E143-L147 PolarHBondContact O-N 3.46Å; K144-L147 PolarHBondContact O-N 3.09Å; L147-E150 PolarHBondContact O-N 3.33Å; L147-Q151 WeakPolarHBondContact O-CB 3.38Å; L147-Q151 VanDerWaalsContact O-CG 3.32Å; L147-Q151 WeakPolarHBondContact O-CG 3.44Å; L147-Q151 PolarHBondContact O-N 2.93Å
148E94.6Very high93.8Very high97 Ų9799.8 Ų99.845%0.45350%0.495SS..Hα-helixtrans-62.2-43.6175.8-74.6173.8-178.900111.9K144 I145 Q151 A152K144-E148 WeakPolarHBondContact CE-OE1 3.41Å; K144-E148 IonicContact NZ-OE1 3.97Å; K144-E148 WeakPolarHBondContact O-CG 3.41Å; K144-E148 PolarHBondContact O-N 3.15Å; I145-E148 PolarHBondContact O-N 2.68Å; E148-Q151 PolarHBondContact O-N 3.44Å; E148-A152 WeakPolarHBondContact O-CB 3.45Å; E148-A152 PolarHBondContact O-N 3.04Å
149K94.1Very high93.9Very high147 Ų147102.1 Ų102.164%0.63951%0.506SS*.Hα-helixtrans-63.5-41.4175.4-77-179.4178.2-174.70112.3I145 R146 A152 S153I145-K149 HydrophobicContact CG2-CD 4.12Å; I145-K149 HydrophobicContact CG2-CG 4.37Å; I145-K149 WeakPolarHBondContact O-CB 3.45Å; I145-K149 VanDerWaalsContact O-CG 3.32Å; I145-K149 WeakPolarHBondContact O-CG 3.49Å; I145-K149 PolarHBondContact O-N 3.43Å; R146-K149 PolarHBondContact O-N 3.36Å; K149-A152 PolarHBondContact O-N 3.37Å; K149-S153 VanDerWaalsContact O-CB 3.29Å; K149-S153 WeakPolarHBondContact O-CB 3.38Å; K149-S153 PolarHBondContact O-N 3.04Å
150E93.9Very high93.9Very high83 Ų83105 Ų10539%0.38851%0.514SS..Hα-helixtrans-64.7-42.9177.1-171.7179.6-179.600111.3R146 L147 S153 R154R146-E150 WeakPolarHBondContact O-CB 3.42Å; R146-E150 PolarHBondContact O-N 3.03Å; L147-E150 PolarHBondContact O-N 3.33Å; E150-S153 PolarHBondContact O-N 3.32Å; E150-R154 WeakPolarHBondContact O-CG 3.43Å; E150-R154 PolarHBondContact O-N 3.45Å; E150-R154 IonicContact OE1-CZ 3.59Å; E150-R154 IonicContact OE1-NE 3.67Å; E150-R154 IonicContact OE1-NH2 3.97Å; E150-R154 PolarHBondContact OE1-NH2 3.4Å
151Q95.3Very high93.8Very high120 Ų120103.1 Ų103.156%0.56150%0.503SS*.Hα-helixtrans-62.3-48175.1-74.1176.9-300112L147 E148 S153 R154 Q155L147-Q151 WeakPolarHBondContact O-CB 3.38Å; L147-Q151 VanDerWaalsContact O-CG 3.32Å; L147-Q151 WeakPolarHBondContact O-CG 3.44Å; L147-Q151 PolarHBondContact O-N 2.93Å; E148-Q151 PolarHBondContact O-N 3.44Å; Q151-S153 VanDerWaalsContact C-N 3.32Å; Q151-S153 PolarHBondContact O-N 2.9Å; Q151-R154 PolarHBondContact O-N 3.37Å; Q151-Q155 WeakPolarHBondContact O-CG 3.41Å; Q151-Q155 PolarHBondContact O-N 2.86Å
152A94.6Very high94Very high53 Ų53104.8 Ų104.844%0.43851%0.507SS..Hα-helixtrans-61.4-40.717700000111.7E148 K149 Q155 A156E148-A152 WeakPolarHBondContact O-CB 3.45Å; E148-A152 PolarHBondContact O-N 3.04Å; K149-A152 PolarHBondContact O-N 3.37Å; A152-Q155 PolarHBondContact O-N 3.42Å; A152-A156 WeakPolarHBondContact O-CB 3.44Å; A152-A156 PolarHBondContact O-N 2.84Å
153S91.8Very high94Very high64 Ų64100.6 Ų100.645%0.44850%0.503SS..Hα-helixtrans-63.4-42.8175.3-175.50000111.9K149 E150 Q151 Q155 A156 I157K149-S153 VanDerWaalsContact O-CB 3.29Å; K149-S153 WeakPolarHBondContact O-CB 3.38Å; K149-S153 PolarHBondContact O-N 3.04Å; E150-S153 PolarHBondContact O-N 3.32Å; Q151-S153 VanDerWaalsContact C-N 3.32Å; Q151-S153 PolarHBondContact O-N 2.9Å; S153-Q155 VanDerWaalsContact C-N 3.35Å; S153-A156 PolarHBondContact O-N 3.42Å; S153-I157 WeakPolarHBondContact O-CD1 3.45Å; S153-I157 VanDerWaalsContact O-CG1 3.26Å; S153-I157 WeakPolarHBondContact O-CG1 3.38Å; S153-I157 PolarHBondContact O-N 3.28Å
154R94.3Very high94Very high151 Ų151103.6 Ų103.657%0.5752%0.516SS*.Hα-helixtrans-63.4-41.2176-74.3176.7-175-175.52.3111.5E150 Q151 I157 N158E150-R154 WeakPolarHBondContact O-CG 3.43Å; E150-R154 PolarHBondContact O-N 3.45Å; E150-R154 IonicContact OE1-CZ 3.59Å; E150-R154 IonicContact OE1-NE 3.67Å; E150-R154 IonicContact OE1-NH2 3.97Å; E150-R154 PolarHBondContact OE1-NH2 3.4Å; Q151-R154 PolarHBondContact O-N 3.37Å; R154-I157 PolarHBondContact O-N 3.46Å; R154-N158 VanDerWaalsContact O-CG 3.3Å; R154-N158 PolarHBondContact O-N 2.96Å; R154-N158 PolarHBondContact O-ND2 2.94Å
155Q95.2Very high93.8Very high121 Ų121101.3 Ų101.357%0.56551%0.51SS*.Hα-helixtrans-62.3-48.5175.5-73.5173.9-10.800111.4Q151 A152 S153 I157 N158 E159Q151-Q155 WeakPolarHBondContact O-CG 3.41Å; Q151-Q155 PolarHBondContact O-N 2.86Å; A152-Q155 PolarHBondContact O-N 3.42Å; S153-Q155 VanDerWaalsContact C-N 3.35Å; Q155-I157 VanDerWaalsContact C-N 3.34Å; Q155-I157 PolarHBondContact O-N 2.89Å; Q155-N158 PolarHBondContact O-N 3.4Å; Q155-N158 VanDerWaalsContact O-N 3.14Å; Q155-E159 WeakPolarHBondContact O-CG 3.43Å; Q155-E159 PolarHBondContact O-N 3.26Å
156A94.3Very high93.8Very high54 Ų54103.4 Ų103.445%0.44652%0.516SS..Hα-helixtrans-60.9-40178.300000112.8A152 S153 E159 F160A152-A156 WeakPolarHBondContact O-CB 3.44Å; A152-A156 PolarHBondContact O-N 2.84Å; S153-A156 PolarHBondContact O-N 3.42Å; A156-E159 PolarHBondContact O-N 2.83Å; A156-F160 WeakPolarHBondContact O-CB 3.44Å; A156-F160 PolarHBondContact O-N 3.37Å
157I93.6Very high93.7Very high95 Ų9599.2 Ų99.249%0.48751%0.509SS..Hα-helixtrans-63.3-45.5174.6-69.6165.2000110.5S153 R154 Q155 E159 F160 V161S153-I157 WeakPolarHBondContact O-CD1 3.45Å; S153-I157 VanDerWaalsContact O-CG1 3.26Å; S153-I157 WeakPolarHBondContact O-CG1 3.38Å; S153-I157 PolarHBondContact O-N 3.28Å; R154-I157 PolarHBondContact O-N 3.46Å; Q155-I157 VanDerWaalsContact C-N 3.34Å; Q155-I157 PolarHBondContact O-N 2.89Å; I157-E159 PolarHBondContact O-N 2.75Å; I157-F160 PolarHBondContact O-N 2.99Å; I157-V161 HydrophobicContact CG2-CG2 4.42Å; I157-V161 VanDerWaalsContact O-CG2 3.31Å; I157-V161 WeakPolarHBondContact O-CG2 3.5Å; I157-V161 PolarHBondContact O-N 3.17Å
158N95Very high93.3Very high101 Ų10197.4 Ų97.454%0.5450%0.503SS..Hα-helixtrans-63-42.2178-74.3-16.1000111.9R154 Q155 V161 N162R154-N158 VanDerWaalsContact O-CG 3.3Å; R154-N158 PolarHBondContact O-N 2.96Å; R154-N158 PolarHBondContact O-ND2 2.94Å; Q155-N158 PolarHBondContact O-N 3.4Å; Q155-N158 VanDerWaalsContact O-N 3.14Å; N158-V161 PolarHBondContact O-N 3.33Å; N158-N162 WeakPolarHBondContact O-CB 3.48Å; N158-N162 PolarHBondContact O-N 3.43Å; N158-N162 PolarHBondContact O-ND2 3.15Å
159E94.1Very high93.1Very high135 Ų13598.8 Ų98.863%0.63151%0.51SS*.Hα-helixtrans-61.8-43.6175-74175.4-176.100111.7Q155 A156 I157 N162 A163Q155-E159 WeakPolarHBondContact O-CG 3.43Å; Q155-E159 PolarHBondContact O-N 3.26Å; A156-E159 PolarHBondContact O-N 2.83Å; I157-E159 PolarHBondContact O-N 2.75Å; E159-N162 PolarHBondContact O-N 2.81Å; E159-A163 WeakPolarHBondContact O-CB 3.32Å; E159-A163 PolarHBondContact O-N 3.48Å
160F93.2Very high92.9Very high150 Ų15096.7 Ų96.766%0.65850%0.502SS*.Hα-helixtrans-61.8-47.4176.4-180-97.4000112.1A156 I157 N162 A163 F164A156-F160 WeakPolarHBondContact O-CB 3.44Å; A156-F160 PolarHBondContact O-N 3.37Å; I157-F160 PolarHBondContact O-N 2.99Å; F160-N162 VanDerWaalsContact C-N 3.32Å; F160-N162 PolarHBondContact O-N 3.4Å; F160-A163 PolarHBondContact O-N 3.38Å; F160-F164 WeakPolarHBondContact O-CB 3.35Å; F160-F164 PolarHBondContact O-N 3.38Å
161V93.7Very high92.6Very high67 Ų6798.3 Ų98.341%0.40651%0.51SS..Hα-helixtrans-61.1-42.7176.9171.10000110.8I157 N158 F164 N165I157-V161 HydrophobicContact CG2-CG2 4.42Å; I157-V161 VanDerWaalsContact O-CG2 3.31Å; I157-V161 WeakPolarHBondContact O-CG2 3.5Å; I157-V161 PolarHBondContact O-N 3.17Å; N158-V161 PolarHBondContact O-N 3.33Å; V161-F164 PolarHBondContact O-N 3.02Å; V161-N165 WeakPolarHBondContact O-CB 3.42Å; V161-N165 VanDerWaalsContact O-CG 3.24Å; V161-N165 PolarHBondContact O-N 3.39Å; V161-N165 PolarHBondContact O-ND2 2.98Å
162N93.8Very high92.4Very high104 Ų10496.7 Ų96.756%0.55651%0.505SS*.Hα-helixtrans-64.2-42.4177.2-72.5-21.1000112.2N158 E159 F160 N165 K166N158-N162 WeakPolarHBondContact O-CB 3.48Å; N158-N162 PolarHBondContact O-N 3.43Å; N158-N162 PolarHBondContact O-ND2 3.15Å; E159-N162 PolarHBondContact O-N 2.81Å; F160-N162 VanDerWaalsContact C-N 3.32Å; F160-N162 PolarHBondContact O-N 3.4Å; N162-N165 PolarHBondContact O-N 3.11Å; N162-K166 WeakPolarHBondContact O-CB 3.49Å; N162-K166 PolarHBondContact O-N 3.27Å
163A92.6Very high92.2Very high58 Ų5899.6 Ų99.648%0.47951%0.51SS..Hα-helixtrans-64.6-41.5176.500000111.9E159 F160 K166 S167E159-A163 WeakPolarHBondContact O-CB 3.32Å; E159-A163 PolarHBondContact O-N 3.48Å; F160-A163 PolarHBondContact O-N 3.38Å; A163-K166 PolarHBondContact O-N 3.1Å; A163-S167 PolarHBondContact O-N 3.03Å
164F92.8Very high91.8Very high132 Ų132102.5 Ų102.558%0.57952%0.518SS*.Hα-helixtrans-61.9-47.5175.4-176.6-96.8000111.7F160 V161 K166 S167 S168F160-F164 WeakPolarHBondContact O-CB 3.35Å; F160-F164 PolarHBondContact O-N 3.38Å; V161-F164 PolarHBondContact O-N 3.02Å; F164-K166 VanDerWaalsContact C-N 3.29Å; F164-K166 PolarHBondContact O-N 3.25Å; F164-S167 PolarHBondContact O-N 3.21Å; F164-S168 WeakPolarHBondContact O-CB 3.08Å; F164-S168 PolarHBondContact O-N 3.03Å
165N92.3Very high91.4Very high82 Ų82101.2 Ų101.244%0.43952%0.518SS..Hα-helixtrans-59.1-41.6176.4-71.9-24.6000111.7V161 N162 S168 Q169V161-N165 WeakPolarHBondContact O-CB 3.42Å; V161-N165 VanDerWaalsContact O-CG 3.24Å; V161-N165 PolarHBondContact O-N 3.39Å; V161-N165 PolarHBondContact O-ND2 2.98Å; N162-N165 PolarHBondContact O-N 3.11Å; N165-S168 PolarHBondContact O-N 3.22Å; N165-Q169 WeakPolarHBondContact O-CG 3.41Å; N165-Q169 PolarHBondContact O-N 2.93Å
166K92.3Very high91.1Very high127 Ų127100.4 Ų100.455%0.55252%0.518SS*.Hα-helixtrans-65.4-46.6177.3-171.8-179176-1710112.4N162 A163 F164 S168 Q169 E170N162-K166 WeakPolarHBondContact O-CB 3.49Å; N162-K166 PolarHBondContact O-N 3.27Å; A163-K166 PolarHBondContact O-N 3.1Å; F164-K166 VanDerWaalsContact C-N 3.29Å; F164-K166 PolarHBondContact O-N 3.25Å; K166-S168 VanDerWaalsContact C-N 3.28Å; K166-S168 PolarHBondContact O-N 3.01Å; K166-Q169 WeakPolarHBondContact O-CB 3.37Å; K166-Q169 PolarHBondContact O-N 3.22Å; K166-E170 VanDerWaalsContact CE-OE1 3.23Å; K166-E170 WeakPolarHBondContact CE-OE1 3.35Å; K166-E170 WeakPolarHBondContact O-CG 3.48Å; K166-E170 PolarHBondContact O-N 2.75Å
167S89.9Confident90.7Very high61 Ų61104.2 Ų104.243%0.42752%0.524SS..Hα-helixtrans-61.3-38.9176.6-169.50000111.6A163 F164 E170 E171A163-S167 PolarHBondContact O-N 3.03Å; F164-S167 PolarHBondContact O-N 3.21Å; S167-E170 PolarHBondContact O-N 3.13Å; S167-E171 PolarHBondContact O-N 2.77Å
168S89.2Confident90.3Very high44 Ų44103.5 Ų103.531%0.30852%0.52SS..Hα-helixtrans-69.6-34.2178.1-153.60000112F164 N165 K166 N172F164-S168 WeakPolarHBondContact O-CB 3.08Å; F164-S168 PolarHBondContact O-N 3.03Å; N165-S168 PolarHBondContact O-N 3.22Å; K166-S168 VanDerWaalsContact C-N 3.28Å; K166-S168 PolarHBondContact O-N 3.01Å; S168-N172 WeakPolarHBondContact O-CB 3.36Å; S168-N172 VanDerWaalsContact O-CG 3.31Å; S168-N172 PolarHBondContact O-N 3.31Å; S168-N172 PolarHBondContact O-ND2 3.48Å; S168-N172 VanDerWaalsContact O-ND2 3.12Å
169Q89.2Confident89.8Confident126 Ų126100.7 Ų100.759%0.58951%0.511SS*.Hα-helixtrans-64.2-46.2168.8-75.5175.8-14.800111.8N165 K166 E171 N172 E173N165-Q169 WeakPolarHBondContact O-CG 3.41Å; N165-Q169 PolarHBondContact O-N 2.93Å; K166-Q169 WeakPolarHBondContact O-CB 3.37Å; K166-Q169 PolarHBondContact O-N 3.22Å; Q169-E171 PolarHBondContact O-N 3.05Å; Q169-N172 PolarHBondContact O-N 2.9Å; Q169-E173 WeakPolarHBondContact O-CG 3.41Å; Q169-E173 PolarHBondContact O-N 3.26Å
170E90.4Very high89.3Confident103 Ų103100.6 Ų100.648%0.48151%0.511SS..Hα-helixtrans-62.4-41.3178.2-72.1174.7-174.100112.3K166 S167 E173 M174K166-E170 VanDerWaalsContact CE-OE1 3.23Å; K166-E170 WeakPolarHBondContact CE-OE1 3.35Å; K166-E170 WeakPolarHBondContact O-CG 3.48Å; K166-E170 PolarHBondContact O-N 2.75Å; S167-E170 PolarHBondContact O-N 3.13Å; E170-E173 PolarHBondContact O-N 3.14Å; E170-M174 WeakPolarHBondContact O-CB 3.46Å; E170-M174 PolarHBondContact O-N 3.29Å
171E87.7Confident88.6Confident117 Ų11796.3 Ų96.355%0.54750%0.503SS..Hα-helixtrans-63-44.9173.4-81.6-172.9156.500112S167 Q169 E173 M174 Q175S167-E171 PolarHBondContact O-N 2.77Å; Q169-E171 PolarHBondContact O-N 3.05Å; E171-E173 PolarHBondContact O-N 3.2Å; E171-M174 PolarHBondContact O-N 3.49Å; E171-Q175 WeakPolarHBondContact O-CG 3.27Å; E171-Q175 PolarHBondContact O-N 3.48Å
172N90.4Very high87.9Confident86 Ų86102 Ų10246%0.4652%0.517SS..Hα-helixtrans-62.4-42.2176.7-79.9-33.8000111.6S168 Q169 Q175 N176S168-N172 WeakPolarHBondContact O-CB 3.36Å; S168-N172 VanDerWaalsContact O-CG 3.31Å; S168-N172 PolarHBondContact O-N 3.31Å; S168-N172 PolarHBondContact O-ND2 3.48Å; S168-N172 VanDerWaalsContact O-ND2 3.12Å; Q169-N172 PolarHBondContact O-N 2.9Å; N172-Q175 PolarHBondContact O-N 3.2Å; N172-N176 WeakPolarHBondContact O-CB 3.43Å; N172-N176 PolarHBondContact O-N 3.46Å; N172-N176 PolarHBondContact O-ND2 3.47Å
173E90.5Very high87.2Confident114 Ų114106.2 Ų106.253%0.53353%0.526SS..Hα-helixtrans-62.1-41.7173.6-76.1-174.3-172.900112.1Q169 E170 E171 N176 K177Q169-E173 WeakPolarHBondContact O-CG 3.41Å; Q169-E173 PolarHBondContact O-N 3.26Å; E170-E173 PolarHBondContact O-N 3.14Å; E171-E173 PolarHBondContact O-N 3.2Å; E173-N176 PolarHBondContact O-N 3.39Å; E173-K177 WeakPolarHBondContact O-CG 3.39Å; E173-K177 PolarHBondContact O-N 3.39Å
174M84.4Confident86.5Confident125 Ų125109.9 Ų109.962%0.61653%0.531SS*.Hα-helixtrans-65.5-43.8177.4-169.3-177.9-65.800111.4E170 E171 N176 K177 I178E170-M174 WeakPolarHBondContact O-CB 3.46Å; E170-M174 PolarHBondContact O-N 3.29Å; E171-M174 PolarHBondContact O-N 3.49Å; M174-N176 VanDerWaalsContact C-N 3.32Å; M174-N176 PolarHBondContact O-N 3.09Å; M174-K177 PolarHBondContact O-N 2.95Å; M174-I178 HydrophobicContact CG-CD1 4.08Å; M174-I178 VanDerWaalsContact O-CG1 3.27Å; M174-I178 WeakPolarHBondContact O-CG1 3.46Å; M174-I178 PolarHBondContact O-N 2.86Å
175Q86Confident85.2Confident124 Ų124106.9 Ų106.958%0.57953%0.526SS*.Hα-helixtrans-61.1-41.1174.8-75.4-169.47.600111.8E171 N172 I178 A179E171-Q175 WeakPolarHBondContact O-CG 3.27Å; E171-Q175 PolarHBondContact O-N 3.48Å; N172-Q175 PolarHBondContact O-N 3.2Å; Q175-I178 PolarHBondContact O-N 3.43Å; Q175-A179 WeakPolarHBondContact O-CB 3.37Å; Q175-A179 PolarHBondContact O-N 3.07Å
176N88.2Confident84.2Confident104 Ų104110 Ų11056%0.55654%0.536SS*.Hα-helixtrans-62.1-46.1175.2-73.8-23.5000111.5N172 E173 M174 I178 A179 E180N172-N176 WeakPolarHBondContact O-CB 3.43Å; N172-N176 PolarHBondContact O-N 3.46Å; N172-N176 PolarHBondContact O-ND2 3.47Å; E173-N176 PolarHBondContact O-N 3.39Å; M174-N176 VanDerWaalsContact C-N 3.32Å; M174-N176 PolarHBondContact O-N 3.09Å; N176-I178 VanDerWaalsContact C-N 3.34Å; N176-I178 PolarHBondContact O-N 3.27Å; N176-A179 PolarHBondContact O-N 2.82Å; N176-E180 WeakPolarHBondContact O-CG 3.34Å; N176-E180 PolarHBondContact O-N 2.94Å
177K86.6Confident83.3Confident133 Ų133110.3 Ų110.358%0.57854%0.539SS*.Hα-helixtrans-60-41.6175-72.4170.9-174.4166.40112.2E173 M174 E180 A181E173-K177 WeakPolarHBondContact O-CG 3.39Å; E173-K177 PolarHBondContact O-N 3.39Å; M174-K177 PolarHBondContact O-N 2.95Å; K177-E180 PolarHBondContact O-N 3.45Å; K177-A181 WeakPolarHBondContact O-CB 3.23Å; K177-A181 PolarHBondContact O-N 3.43Å
178I83.3Confident81.8Confident80 Ų80114.3 Ų114.341%0.4155%0.546SS..Hα-helixtrans-64.6-41.7175.8-68.5165.5000110.8M174 Q175 N176 A181 R182M174-I178 HydrophobicContact CG-CD1 4.08Å; M174-I178 VanDerWaalsContact O-CG1 3.27Å; M174-I178 WeakPolarHBondContact O-CG1 3.46Å; M174-I178 PolarHBondContact O-N 2.86Å; Q175-I178 PolarHBondContact O-N 3.43Å; N176-I178 VanDerWaalsContact C-N 3.34Å; N176-I178 PolarHBondContact O-N 3.27Å; I178-A181 PolarHBondContact O-N 2.9Å; I178-R182 WeakPolarHBondContact O-CB 3.36Å; I178-R182 WeakPolarHBondContact O-CG 3.36Å; I178-R182 PolarHBondContact O-N 3.49Å
179A84.8Confident80Confident43 Ų43117.5 Ų117.536%0.35556%0.557SS.*Hα-helixtrans-65.5-41.317800000112Q175 N176 R182 R183Q175-A179 WeakPolarHBondContact O-CB 3.37Å; Q175-A179 PolarHBondContact O-N 3.07Å; N176-A179 PolarHBondContact O-N 2.82Å; A179-R182 PolarHBondContact O-N 2.98Å; A179-R183 WeakPolarHBondContact O-CG 3.37Å; A179-R183 PolarHBondContact O-N 3.27Å
180E83.4Confident78.4Confident132 Ų132118.6 Ų118.662%0.61756%0.564SS**Hα-helixtrans-62.1-47173.1-74.8-178175.900111.8N176 K177 R182 R183 F184N176-E180 WeakPolarHBondContact O-CG 3.34Å; N176-E180 PolarHBondContact O-N 2.94Å; K177-E180 PolarHBondContact O-N 3.45Å; E180-R182 VanDerWaalsContact C-N 3.31Å; E180-R182 PolarHBondContact O-N 2.81Å; E180-R183 WeakPolarHBondContact O-CB 3.14Å; E180-R183 PolarHBondContact O-N 2.94Å; E180-R183 VanDerWaalsContact O-N 3.14Å; E180-F184 PolarHBondContact O-N 2.9Å
181A79Confident76.8Confident61 Ų61121.6 Ų121.650%0.50458%0.576SS.*Hα-helixtrans-59.7-40.4176.100000112.2K177 I178 F184 S185K177-A181 WeakPolarHBondContact O-CB 3.23Å; K177-A181 PolarHBondContact O-N 3.43Å; I178-A181 PolarHBondContact O-N 2.9Å; A181-F184 PolarHBondContact O-N 3.39Å; A181-S185 WeakPolarHBondContact O-CB 3.22Å; A181-S185 PolarHBondContact O-N 3.43Å
182R78.3Confident74.8Confident185 Ų185119.9 Ų119.970%0.69857%0.574SS**Hα-helixtrans-64.3-42.1173.9-75.9176.7177.2-179.20.8112.3I178 A179 E180 K186I178-R182 WeakPolarHBondContact O-CB 3.36Å; I178-R182 WeakPolarHBondContact O-CG 3.36Å; I178-R182 PolarHBondContact O-N 3.49Å; A179-R182 PolarHBondContact O-N 2.98Å; E180-R182 VanDerWaalsContact C-N 3.31Å; E180-R182 PolarHBondContact O-N 2.81Å; R182-K186 WeakPolarHBondContact O-CB 3.38Å; R182-K186 PolarHBondContact O-N 3.31Å
183R80Confident72.7Confident194 Ų194122.2 Ų122.273%0.73258%0.584SS**Hα-helixtrans-62.2-46.7175.4-75.8178.8-179.4-174.72111A179 E180 K186 Q187A179-R183 WeakPolarHBondContact O-CG 3.37Å; A179-R183 PolarHBondContact O-N 3.27Å; E180-R183 WeakPolarHBondContact O-CB 3.14Å; E180-R183 PolarHBondContact O-N 2.94Å; E180-R183 VanDerWaalsContact O-N 3.14Å; R183-K186 PolarHBondContact O-N 3.27Å; R183-Q187 WeakPolarHBondContact O-CB 3.29Å; R183-Q187 PolarHBondContact O-N 3.49Å
184F77.1Confident70.4Confident135 Ų135120 Ų12059%0.59259%0.592SS**Hα-helixtrans-59.4-49.1177.5-175.7-95000111.5E180 A181 K186 Q187 Y188E180-F184 PolarHBondContact O-N 2.9Å; A181-F184 PolarHBondContact O-N 3.39Å; F184-K186 VanDerWaalsContact C-N 3.35Å; F184-K186 PolarHBondContact O-N 3.06Å; F184-Q187 PolarHBondContact O-N 3.49Å; F184-Y188 HydrophobicContact CE1-CD2 4.04Å; F184-Y188 HydrophobicContact CZ-CD2 4.04Å; F184-Y188 HydrophobicContact CZ-CE2 4.48Å; F184-Y188 WeakPolarHBondContact O-CB 3.43Å; F184-Y188 PolarHBondContact O-N 2.91Å
185S65.6Low68.3Low68 Ų68121.7 Ų121.748%0.47660%0.599SS.*Hα-helixtrans-58.3-43.5176.6175.20000112.5A181 Q187 Y188 M189A181-S185 WeakPolarHBondContact O-CB 3.22Å; A181-S185 PolarHBondContact O-N 3.43Å; S185-Q187 PolarHBondContact O-N 2.89Å; S185-Y188 PolarHBondContact O-N 3.43Å; S185-M189 WeakPolarHBondContact O-CB 3.44Å; S185-M189 WeakPolarHBondContact O-CG 3.42Å; S185-M189 PolarHBondContact O-N 3.28Å
186K71.9Confident65.9Low147 Ų147124.2 Ų124.264%0.63961%0.611SS**Hα-helixtrans-64.9-39.3178.3-161.9176.2-174.7-179.30112.2R182 R183 F184 M190R182-K186 WeakPolarHBondContact O-CB 3.38Å; R182-K186 PolarHBondContact O-N 3.31Å; R183-K186 PolarHBondContact O-N 3.27Å; F184-K186 VanDerWaalsContact C-N 3.35Å; F184-K186 PolarHBondContact O-N 3.06Å; K186-M190 WeakPolarHBondContact O-CG 3.46Å; K186-M190 PolarHBondContact O-N 3.22Å
187Q72.6Confident63.5Low134 Ų134127 Ų12763%0.62663%0.625SS**Hα-helixtrans-70.7-36.8177.6-155.3173.221.100111.9R183 F184 S185 K191R183-Q187 WeakPolarHBondContact O-CB 3.29Å; R183-Q187 PolarHBondContact O-N 3.49Å; F184-Q187 PolarHBondContact O-N 3.49Å; S185-Q187 PolarHBondContact O-N 2.89Å; Q187-K191 PolarHBondContact O-N 3.49Å; Q187-K191 VanDerWaalsContact O-N 3.13Å
188Y60.2Low61.3Low145 Ų145126.9 Ų126.957%0.56963%0.631SS**Hα-helixtrans-65.5-47.9174-149.2-85.9000111F184 S185 M190 K191 T192F184-Y188 HydrophobicContact CE1-CD2 4.04Å; F184-Y188 HydrophobicContact CZ-CD2 4.04Å; F184-Y188 HydrophobicContact CZ-CE2 4.48Å; F184-Y188 WeakPolarHBondContact O-CB 3.43Å; F184-Y188 PolarHBondContact O-N 2.91Å; S185-Y188 PolarHBondContact O-N 3.43Å; Y188-M190 VanDerWaalsContact C-N 3.35Å; Y188-M190 PolarHBondContact O-N 2.78Å; Y188-K191 PolarHBondContact O-N 2.92Å; Y188-K191 VanDerWaalsContact O-N 3.13Å; Y188-T192 HydrophobicContact CD1-CG2 4.05Å; Y188-T192 HydrophobicContact CE1-CG2 4.02Å; Y188-T192 PolarHBondContact O-N 3.49Å; Y188-T192 PolarHBondContact O-OG1 2.91Å
189M50.8Low59.1Low111 Ų111132.5 Ų132.555%0.54766%0.658SS.*Hα-helixtrans-58.8-41.1174.5-77.3-105.1-78.900112.8S185 K191 T192 I193S185-M189 WeakPolarHBondContact O-CB 3.44Å; S185-M189 WeakPolarHBondContact O-CG 3.42Å; S185-M189 PolarHBondContact O-N 3.28Å; M189-K191 VanDerWaalsContact C-N 3.32Å; M189-K191 PolarHBondContact O-N 2.88Å; M189-T192 WeakPolarHBondContact CA-OG1 3.44Å; M189-T192 PolarHBondContact O-N 3.49Å; M189-T192 PolarHBondContact O-OG1 3.12Å; M189-I193 HydrophobicContact CB-CD1 4.39Å; M189-I193 WeakPolarHBondContact O-CB 3.35Å; M189-I193 VanDerWaalsContact O-CD1 3.28Å; M189-I193 WeakPolarHBondContact O-CD1 3.29Å; M189-I193 WeakPolarHBondContact O-CG1 3.46Å; M189-I193 PolarHBondContact O-N 2.92Å; M189-I193 VanDerWaalsContact O-N 3.09Å
190M55.4Low57.2Low150 Ų150138.4 Ų138.474%0.73968%0.678SS**Hα-helixtrans-68-29.7176.6-80.7-169.615200113.3K186 Y188K186-M190 WeakPolarHBondContact O-CG 3.46Å; K186-M190 PolarHBondContact O-N 3.22Å; Y188-M190 VanDerWaalsContact C-N 3.35Å; Y188-M190 PolarHBondContact O-N 2.78Å
191K56.7Low55.2Low166 Ų166139.6 Ų139.672%0.72269%0.688SS**Hα-helixtrans-75.4-35.6173-87.2-176.3172.2-176.20112.5Q187 Y188 M189Q187-K191 PolarHBondContact O-N 3.49Å; Q187-K191 VanDerWaalsContact O-N 3.13Å; Y188-K191 PolarHBondContact O-N 2.92Å; Y188-K191 VanDerWaalsContact O-N 3.13Å; M189-K191 VanDerWaalsContact C-N 3.32Å; M189-K191 PolarHBondContact O-N 2.88Å
192T46.4Very low53.4Low81 Ų81142.7 Ų142.750%0.49770%0.696SS.*Hα-helixtrans-85.3-12.5-177.549.40000114.7Y188 M189Y188-T192 HydrophobicContact CD1-CG2 4.05Å; Y188-T192 HydrophobicContact CE1-CG2 4.02Å; Y188-T192 PolarHBondContact O-N 3.49Å; Y188-T192 PolarHBondContact O-OG1 2.91Å; M189-T192 WeakPolarHBondContact CA-OG1 3.44Å; M189-T192 PolarHBondContact O-N 3.49Å; M189-T192 PolarHBondContact O-OG1 3.12Å
193I45Very low51.8Low134 Ų134142.5 Ų142.569%0.68770%0.7SS**THydrogen-bonded Turntrans-88.2-5178.6-68166.3000112.6M189M189-I193 HydrophobicContact CB-CD1 4.39Å; M189-I193 WeakPolarHBondContact O-CB 3.35Å; M189-I193 VanDerWaalsContact O-CD1 3.28Å; M189-I193 WeakPolarHBondContact O-CD1 3.29Å; M189-I193 WeakPolarHBondContact O-CG1 3.46Å; M189-I193 PolarHBondContact O-N 2.92Å; M189-I193 VanDerWaalsContact O-N 3.09Å
194G43.3Very low50Low68 Ų68137.7 Ų137.770%0.70169%0.689SS**SBendtrans-97.2-9.8-179.500000116.1
195E39.1Very low48.6Very low161 Ų161136.5 Ų136.575%0.75269%0.688SS**SBendtrans-135.2122.7-174.8-73.1174.7168.300109.4
196E37.3Very low47.6Very low177 Ų177140.8 Ų140.883%0.82770%0.7SS**  trans79100.8160.4-59.1-176.6162.800118.9N198E196-N198 PolarHBondContact O-N 3.08Å; E196-N198 VanDerWaalsContact O-N 3.11Å
197N36.1Very low46.4Very low161 Ų161140.7 Ų140.786%0.86170%0.702SS**  -14.5103.2130-65.4-35000113.4
198N41.2Very low45Very low132 Ų132144.4 Ų144.471%0.70671%0.71SS**  trans-158.783.2150.4-95.2-30.2000110.1E196 E200E196-N198 PolarHBondContact O-N 3.08Å; E196-N198 VanDerWaalsContact O-N 3.11Å; N198-E200 PolarHBondContact O-N 3.23Å
199M37.6Very low44.1Very low198 Ų198144.3 Ų144.398%0.97572%0.719SS**THydrogen-bonded Turntrans-63.478.4156.9-88.2-174.9-86.100109.2
200E44.4Very low43.6Very low167 Ų167142.4 Ų142.478%0.7872%0.721SS**THydrogen-bonded Turntrans-150.2-5.2170.4-120167.1-160.200116N198 N202N198-E200 PolarHBondContact O-N 3.23Å; E200-N202 PolarHBondContact O-N 2.94Å
201L41.5Very low42.9Very low157 Ų157144.4 Ų144.482%0.82273%0.726SS**THydrogen-bonded Turntrans-103.345.2-178.8-147.378000113.4
202N41.6Very low42.3Very low125 Ų125143.6 Ų143.667%0.66873%0.728SS**THydrogen-bonded Turntrans-133.712174.1-128.3-11.8000114.1E200E200-N202 PolarHBondContact O-N 2.94Å
203K44.3Very low42.3Very low181 Ų181147.7 Ų147.779%0.78774%0.741SS**SBendtrans-94.5-14.1172.4-80.4-179.2175.8173.30114.1
204D43Very low42.7Very low93 Ų93150.1 Ų150.150%0.49775%0.747SS.*SBendtrans-97.4-16.5-173.2-121.226.7000114.7
205I46.3Very low43.3Very low110 Ų110153 Ų15356%0.56475%0.753SS**THydrogen-bonded Turntrans-85.9-27-179.7-62.9174.2000111.4
206Q44.5Very low44.3Very low159 Ų159152.1 Ų152.174%0.74375%0.752SS**THydrogen-bonded Turntrans-77-20.9172.1-71.7-174.5-15.500113.1
207Q46.3Very low45.4Very low145 Ų145151.7 Ų151.768%0.67876%0.756SS**THydrogen-bonded Turntrans-80.8-21175.3-75.7-174.9-4.100113.7
208R43.9Very low46.6Very low211 Ų211150.6 Ų150.680%0.79675%0.749SS**THydrogen-bonded Turntrans-87.2-9.7178.2-69.3-173.1-176.5-161.71.9114.8
209L42.2Very low48.1Very low144 Ų144149.6 Ų149.675%0.75475%0.75SS**THydrogen-bonded Turntrans-96.611.1176.5-74.2162.4000113.3
210A39Very low49.7Very low70 Ų70147 Ų14758%0.57975%0.745SS**  trans-112.619.6-174.600000115.1I212A210-I212 PolarHBondContact O-N 3.34Å; A210-I212 VanDerWaalsContact O-N 3.09Å
211F41.2Very low50.6Low193 Ų193150.3 Ų150.385%0.84675%0.75SS**  trans-8365.5163.8-107.8-89.8000109.9E213F211-E213 PolarHBondContact O-N 3.33Å
212I43.8Very low52.3Low148 Ų148149.5 Ų149.576%0.75975%0.752SS**  trans-87.599.2162.5-62.3174.2000105.1A210 K214A210-I212 PolarHBondContact O-N 3.34Å; A210-I212 VanDerWaalsContact O-N 3.09Å; I212-K214 PolarHBondContact O-N 3.19Å; I212-K214 VanDerWaalsContact O-N 3.16Å
213E47.1Very low53.8Low168 Ų168149.2 Ų149.279%0.78576%0.759SS**PPolyproline II helixtrans-55.4119.5172.6-70.8-178.6161.200108.9F211F211-E213 PolarHBondContact O-N 3.33Å
214K53.1Low55.4Low185 Ų185145.5 Ų145.580%0.80476%0.757SS**PPolyproline II helixtrans-59.5138.1173.2-75.4-178.6176.3178.50108.7I212 I216I212-K214 PolarHBondContact O-N 3.19Å; I212-K214 VanDerWaalsContact O-N 3.16Å; K214-I216 PolarHBondContact O-N 2.82Å; K214-I216 VanDerWaalsContact O-N 3.16Å
215P56.9Low57.2Low127 Ų127147.6 Ų147.683%0.82577%0.773SS**PPolyproline II helixtrans-59.1123.6173.9-13.826.6000108.9D217P215-D217 PolarHBondContact O-N 3.21Å
216I59.3Low58.6Low143 Ų143148.7 Ų148.773%0.73378%0.779SS**  trans-73.4116171.6-63.4166.2000106.8K214 L218K214-I216 PolarHBondContact O-N 2.82Å; K214-I216 VanDerWaalsContact O-N 3.16Å; I216-L218 HydrophobicContact CG2-CD2 4.35Å; I216-L218 HydrophobicContact CG2-CG 4.18Å; I216-L218 PolarHBondContact O-N 3.12Å
217D59.7Low60.2Low169 Ų169149.8 Ų149.890%0.90478%0.783SS**  trans-6996.4170.9-113.4-10.8000108.7P215P215-D217 PolarHBondContact O-N 3.21Å
218L62.7Low61.5Low137 Ų137146.8 Ų146.872%0.71778%0.775SS**PPolyproline II helixtrans-83.1136.4174.6-73159.6000109.1I216 V220I216-L218 HydrophobicContact CG2-CD2 4.35Å; I216-L218 HydrophobicContact CG2-CG 4.18Å; I216-L218 PolarHBondContact O-N 3.12Å; L218-V220 PolarHBondContact O-N 3.24Å
219P72.6Confident63Low112 Ų112146.3 Ų146.373%0.72778%0.779SS**PPolyproline II helixtrans-59.1133.9176.424.1-32.6000110.7R221P219-R221 PolarHBondContact O-N 3.17Å; P219-R221 VanDerWaalsContact O-N 3.14Å
220V70.7Confident64.2Low144 Ų144147.7 Ų147.787%0.87378%0.779SS**PPolyproline II helixtrans-57.7117.1177.2-179.40000108.8L218L218-V220 PolarHBondContact O-N 3.24Å
221R63.6Low65.7Low235 Ų235150.5 Ų150.589%0.88779%0.789SS**PPolyproline II helixtrans-70.5135.2176.2-64.1-174.4-169.4-144.12.8109.7P219P219-R221 PolarHBondContact O-N 3.17Å; P219-R221 VanDerWaalsContact O-N 3.14Å
222T75.9Confident67.1Low141 Ų141147 Ų14787%0.86579%0.786SS**PPolyproline II helixtrans-73.8135.1166.446.60000109.5
223S74.5Confident68.4Low118 Ų118144.8 Ų144.883%0.82577%0.768SS**PPolyproline II helixtrans-90.8138.7174.551.20000110.5
224S77.7Confident69.6Low104 Ų104140.3 Ų140.373%0.72775%0.752SS**  trans-113.9138161.955.60000108.6I226S224-I226 PolarHBondContact O-N 2.86Å
225T80.1Confident70.5Confident137 Ų137132 Ų13284%0.8472%0.716SS**  trans-85.7112.3-179.8-570000109.2
226I74.9Confident71.1Confident133 Ų133131.9 Ų131.968%0.68272%0.715SS**  trans-94.5119.2169.1-55.6176.2000107.3S224 V228S224-I226 PolarHBondContact O-N 2.86Å; I226-V228 HydrophobicContact CB-CG2 4.42Å; I226-V228 HydrophobicContact CG2-CG2 3.82Å; I226-V228 PolarHBondContact O-N 3.21Å
227E78.4Confident71.6Confident181 Ų181127.5 Ų127.585%0.84670%0.695SS**  trans-73.5103.8168.8-74.2-170.2169.700109.7
228V73.8Confident72.2Confident82 Ų82123.4 Ų123.450%0.49768%0.678SS.*  trans-102114.4173.3-173.50000109.1I226 F230I226-V228 HydrophobicContact CB-CG2 4.42Å; I226-V228 HydrophobicContact CG2-CG2 3.82Å; I226-V228 PolarHBondContact O-N 3.21Å; V228-F230 HydrophobicContact CB-CD2 4.42Å; V228-F230 HydrophobicContact CB-CE1 4.44Å; V228-F230 HydrophobicContact CB-CE2 3.84Å; V228-F230 HydrophobicContact CB-CZ 3.85Å; V228-F230 HydrophobicContact CG1-CD1 3.91Å; V228-F230 HydrophobicContact CG1-CD2 4.1Å; V228-F230 HydrophobicContact CG1-CE1 3.55Å; V228-F230 HydrophobicContact CG1-CE2 3.75Å; V228-F230 HydrophobicContact CG1-CG 4.18Å; V228-F230 HydrophobicContact CG1-CZ 3.46Å; V228-F230 VanDerWaalsContact CG1-CZ 3.46Å; V228-F230 PolarHBondContact O-N 3.06Å
229K76.2Confident72.6Confident201 Ų201124.1 Ų124.187%0.87468%0.677SS**  trans-86.2100.3167.9-71.8-176.8-179.9177.10108.9
230F66.7Low72.8Confident173 Ų173130.3 Ų130.376%0.75969%0.686SS**PPolyproline II helixtrans-75139.2175.4-63.2-79.2000111.1V228V228-F230 HydrophobicContact CB-CD2 4.42Å; V228-F230 HydrophobicContact CB-CE1 4.44Å; V228-F230 HydrophobicContact CB-CE2 3.84Å; V228-F230 HydrophobicContact CB-CZ 3.85Å; V228-F230 HydrophobicContact CG1-CD1 3.91Å; V228-F230 HydrophobicContact CG1-CD2 4.1Å; V228-F230 HydrophobicContact CG1-CE1 3.55Å; V228-F230 HydrophobicContact CG1-CE2 3.75Å; V228-F230 HydrophobicContact CG1-CG 4.18Å; V228-F230 HydrophobicContact CG1-CZ 3.46Å; V228-F230 VanDerWaalsContact CG1-CZ 3.46Å; V228-F230 PolarHBondContact O-N 3.06Å
231T71.4Confident72.8Confident129 Ų129130.3 Ų130.379%0.79168%0.677SS**PPolyproline II helixtrans-61.4128.6168.1-52.80000108.9R233T231-R233 PolarHBondContact O-N 3.45Å; T231-R233 VanDerWaalsContact O-N 3.13Å
232P70.4Confident73.2Confident120 Ų120120.2 Ų120.278%0.77964%0.642SS**PPolyproline II helixtrans-63.3118.3-177.924.7-32.8000110
233R70.5Confident73.3Confident102 Ų102118 Ų11839%0.38563%0.628SS.*PPolyproline II helixtrans-84.4141.9175.9-164.4179.8-173.4-163.28109.9T231 F235 T237 S242 E247T231-R233 PolarHBondContact O-N 3.45Å; T231-R233 VanDerWaalsContact O-N 3.13Å; R233-F235 VanDerWaalsContact C-N 3.29Å; R233-F235 WeakPolarHBondContact CD-O 3.41Å; R233-F235 WeakPolarHBondContact CG-O 3.42Å; R233-T237 PolarHBondContact NH1-O 3.24Å; R233-S242 PolarHBondContact NH2-OG 3.22Å; R233-E247 IonicContact CZ-OE2 3.65Å; R233-E247 IonicContact NE-OE2 3.56Å; R233-E247 IonicContact NH1-OE2 3.85Å; R233-E247 IonicContact NH2-OE1 2.78Å; R233-E247 IonicContact NH2-OE2 3.4Å; R233-E247 PolarHBondContact NH2-OE2 3.3Å
234V73.6Confident73.3Confident74 Ų74118 Ų11845%0.44861%0.614SS.*SBendtrans-67.5-33.1176.4179.40000111.6W250 L251V234-W250 HydrophobicContact CG1-CZ3 4.21Å; V234-L251 HydrophobicContact CB-CD2 4.49Å; V234-L251 HydrophobicContact CG1-CD2 4.4Å; V234-L251 HydrophobicContact CG2-CD2 4.33Å
235F71.2Confident73.4Confident11 Ų11120.9 Ų120.95%0.04862%0.615CS.*SBendtrans-95.5130.1177.7-63.5-82.8000110.4R233 T237 E247 W250 L251 P338 V340R233-F235 VanDerWaalsContact C-N 3.29Å; R233-F235 WeakPolarHBondContact CD-O 3.41Å; R233-F235 WeakPolarHBondContact CG-O 3.42Å; F235-T237 PolarHBondContact O-N 3.48Å; F235-E247 HydrophobicContact CD1-CG 4.02Å; F235-E247 HydrophobicContact CD2-CB 3.78Å; F235-E247 HydrophobicContact CD2-CG 3.76Å; F235-E247 WeakPolarHBondContact CD2-OE2 3.34Å; F235-E247 HydrophobicContact CE1-CB 4.47Å; F235-E247 HydrophobicContact CE1-CG 4.04Å; F235-E247 HydrophobicContact CE2-CB 3.48Å; F235-E247 VanDerWaalsContact CE2-CB 3.48Å; F235-E247 HydrophobicContact CE2-CG 3.8Å; F235-E247 HydrophobicContact CG-CB 4.41Å; F235-E247 HydrophobicContact CG-CG 3.87Å; F235-E247 WeakPolarHBondContact CG-OE2 3.35Å; F235-E247 HydrophobicContact CZ-CB 3.86Å; F235-E247 HydrophobicContact CZ-CG 3.93Å; F235-W250 HydrophobicContact CE1-CE3 4.28Å; F235-W250 HydrophobicContact CE2-CE3 4.14Å; F235-W250 HydrophobicContact CZ-CB 4.28Å; F235-W250 AromaticContact CZ-CD2 3.98Å; F235-W250 HydrophobicContact CZ-CD2 3.98Å; F235-W250 AromaticContact CZ-CE3 3.45Å; F235-W250 HydrophobicContact CZ-CE3 3.45Å; F235-W250 VanDerWaalsContact CZ-CE3 3.45Å; F235-W250 HydrophobicContact CZ-CG 4.35Å; F235-W250 HydrophobicContact CZ-CZ3 4.11Å; F235-L251 HydrophobicContact CE2-CD1 4.06Å; F235-L251 HydrophobicContact CE2-CD2 4.42Å; F235-L251 HydrophobicContact CE2-CG 3.98Å; F235-P338 HydrophobicContact CE1-CB 4.39Å; F235-P338 HydrophobicContact CE1-CG 3.66Å; F235-P338 HydrophobicContact CZ-CG 4.18Å; F235-V340 HydrophobicContact CD1-CG1 3.63Å; F235-V340 HydrophobicContact CE1-CG1 3.24Å; F235-V340 HydrophobicContact CZ-CG1 4.15Å
236P69.1Low73.5Confident124 Ų124116.6 Ų116.681%0.80559%0.593SS**  trans-73.7-7.3-178.929.6-34.2000113.7
237T70.2Confident73.7Confident50 Ų50110.6 Ų110.631%0.30756%0.563SS.*SBendtrans-71.7134.1-175.3-39.40000111.9R233 F235 E241R233-T237 PolarHBondContact NH1-O 3.24Å; F235-T237 PolarHBondContact O-N 3.48Å; T237-E241 HydrophobicContact CG2-CB 3.8Å
238P72.2Confident73.9Confident84 Ų84105.5 Ų105.555%0.54554%0.541SS..  trans-57.7146.3171.6-22.633000112.1R240 E241 S242P238-R240 PolarHBondContact O-N 3.37Å; P238-R240 VanDerWaalsContact O-N 3.08Å; P238-E241 PolarHBondContact O-N 3.07Å; P238-S242 PolarHBondContact O-N 3.09Å
239E70.3Confident74.3Confident152 Ų152106.5 Ų106.571%0.7154%0.541SS*.G310 helixtrans-58.2-29.4-174.7-169.6165.7-158.200113.5E241 S242E239-E241 VanDerWaalsContact C-N 3.28Å; E239-E241 PolarHBondContact O-N 3.15Å; E239-S242 WeakPolarHBondContact O-CB 3.39Å; E239-S242 PolarHBondContact O-N 3.44Å
240R76.8Confident74.5Confident242 Ų24297.5 Ų97.591%0.91350%0.501SS*.G310 helixtrans-61.4-32.1175.8179.9180-80.2-95.72.7113.6P238P238-R240 PolarHBondContact O-N 3.37Å; P238-R240 VanDerWaalsContact O-N 3.08Å
241E72Confident75.2Confident144 Ų14492.3 Ų92.367%0.67348%0.481SS*.G310 helixtrans-104.34.4-179.5-66.8-179.4-178.800112.2T237 P238 E239 T243T237-E241 HydrophobicContact CG2-CB 3.8Å; P238-E241 PolarHBondContact O-N 3.07Å; E239-E241 VanDerWaalsContact C-N 3.28Å; E239-E241 PolarHBondContact O-N 3.15Å; E241-T243 PolarHBondContact O-N 3.23Å
242S71.4Confident75.6Confident23 Ų2390.7 Ų90.716%0.16147%0.467CS..  trans-64.8119.6-178.1176.70000111.5R233 P238 E239 K244 E247R233-S242 PolarHBondContact NH2-OG 3.22Å; P238-S242 PolarHBondContact O-N 3.09Å; E239-S242 WeakPolarHBondContact O-CB 3.39Å; E239-S242 PolarHBondContact O-N 3.44Å; S242-K244 PolarHBondContact O-N 3.39Å; S242-K244 WeakPolarHBondContact OG-CA 3.42Å; S242-K244 PolarHBondContact OG-N 2.96Å; S242-E247 PolarHBondContact OG-OE1 2.86Å
243T78.7Confident76Confident93 Ų9389 Ų8957%0.57145%0.448SS*.  trans-78.263.2160.247.30000109.1E241 Q245 A246 E247E241-T243 PolarHBondContact O-N 3.23Å; T243-Q245 PolarHBondContact O-N 3.36Å; T243-A246 WeakPolarHBondContact O-CA 3.31Å; T243-A246 WeakPolarHBondContact O-CB 3.35Å; T243-A246 PolarHBondContact O-N 2.78Å; T243-E247 PolarHBondContact O-N 2.99Å
244K73.6Confident76.3Confident120 Ų12086 Ų8652%0.52244%0.438SS..Hα-helixtrans-50.2-41.2-168-172.8175.2180172.60112.7S242 E247 D248S242-K244 PolarHBondContact O-N 3.39Å; S242-K244 WeakPolarHBondContact OG-CA 3.42Å; S242-K244 PolarHBondContact OG-N 2.96Å; K244-E247 PolarHBondContact O-N 3.28Å; K244-D248 VanDerWaalsContact O-CB 3.29Å; K244-D248 WeakPolarHBondContact O-CB 3.43Å; K244-D248 PolarHBondContact O-N 2.9Å
245Q80.7Confident76.3Confident164 Ų16484 Ų8477%0.76643%0.43SS*.Hα-helixtrans-61.3-46.1175.8-68.9179.7-10.700112.8T243 D248 E249T243-Q245 PolarHBondContact O-N 3.36Å; Q245-D248 PolarHBondContact O-N 3.37Å; Q245-E249 VanDerWaalsContact O-CB 3.32Å; Q245-E249 WeakPolarHBondContact O-CB 3.34Å; Q245-E249 WeakPolarHBondContact O-CG 3.4Å; Q245-E249 PolarHBondContact O-N 2.88Å
246A80.8Confident76.5Confident46 Ų4687.6 Ų87.638%0.3845%0.446SS..Hα-helixtrans-69.8-35.8179.800000112.1T243 W250T243-A246 WeakPolarHBondContact O-CA 3.31Å; T243-A246 WeakPolarHBondContact O-CB 3.35Å; T243-A246 PolarHBondContact O-N 2.78Å; A246-W250 WeakPolarHBondContact O-CB 3.5Å; A246-W250 PolarHBondContact O-N 3.12Å
247E80.8Confident76.3Confident8 Ų884.5 Ų84.54%0.03742%0.419CS..Hα-helixtrans-66-47174.3-70.3-176.3-160.400112R233 F235 S242 T243 K244 E249 W250 L251R233-E247 IonicContact CZ-OE2 3.65Å; R233-E247 IonicContact NE-OE2 3.56Å; R233-E247 IonicContact NH1-OE2 3.85Å; R233-E247 IonicContact NH2-OE1 2.78Å; R233-E247 IonicContact NH2-OE2 3.4Å; R233-E247 PolarHBondContact NH2-OE2 3.3Å; F235-E247 HydrophobicContact CD1-CG 4.02Å; F235-E247 HydrophobicContact CD2-CB 3.78Å; F235-E247 HydrophobicContact CD2-CG 3.76Å; F235-E247 WeakPolarHBondContact CD2-OE2 3.34Å; F235-E247 HydrophobicContact CE1-CB 4.47Å; F235-E247 HydrophobicContact CE1-CG 4.04Å; F235-E247 HydrophobicContact CE2-CB 3.48Å; F235-E247 VanDerWaalsContact CE2-CB 3.48Å; F235-E247 HydrophobicContact CE2-CG 3.8Å; F235-E247 HydrophobicContact CG-CB 4.41Å; F235-E247 HydrophobicContact CG-CG 3.87Å; F235-E247 WeakPolarHBondContact CG-OE2 3.35Å; F235-E247 HydrophobicContact CZ-CB 3.86Å; F235-E247 HydrophobicContact CZ-CG 3.93Å; S242-E247 PolarHBondContact OG-OE1 2.86Å; T243-E247 PolarHBondContact O-N 2.99Å; K244-E247 PolarHBondContact O-N 3.28Å; E247-E249 VanDerWaalsContact C-N 3.34Å; E247-W250 WeakPolarHBondContact O-CB 3.26Å; E247-W250 PolarHBondContact O-N 3.04Å; E247-W250 VanDerWaalsContact O-N 3.16Å; E247-L251 WeakPolarHBondContact O-CG 3.32Å; E247-L251 PolarHBondContact O-N 3.23Å
248D81.4Confident76.2Confident73 Ų7389 Ų8939%0.3943%0.43SS..Hα-helixtrans-64.4-39.9176.1-73.5-20.1000110.9K244 Q245 W250 L251 N252K244-D248 VanDerWaalsContact O-CB 3.29Å; K244-D248 WeakPolarHBondContact O-CB 3.43Å; K244-D248 PolarHBondContact O-N 2.9Å; Q245-D248 PolarHBondContact O-N 3.37Å; D248-W250 VanDerWaalsContact C-N 3.34Å; D248-W250 PolarHBondContact O-N 3.35Å; D248-L251 PolarHBondContact O-N 3.32Å; D248-N252 VanDerWaalsContact O-CB 3.29Å; D248-N252 WeakPolarHBondContact O-CB 3.46Å; D248-N252 VanDerWaalsContact O-CG 3.32Å; D248-N252 PolarHBondContact O-N 2.66Å; D248-N252 PolarHBondContact O-ND2 3.5Å
249E82.8Confident76Confident104 Ų10492.8 Ų92.849%0.48643%0.434SS..Hα-helixtrans-60.2-42.4170.9-85.7-170.6-156.600112.3Q245 E247 N252 K253Q245-E249 VanDerWaalsContact O-CB 3.32Å; Q245-E249 WeakPolarHBondContact O-CB 3.34Å; Q245-E249 WeakPolarHBondContact O-CG 3.4Å; Q245-E249 PolarHBondContact O-N 2.88Å; E247-E249 VanDerWaalsContact C-N 3.34Å; E249-N252 PolarHBondContact O-N 3.4Å; E249-K253 VanDerWaalsContact O-CB 3.31Å; E249-K253 WeakPolarHBondContact O-CB 3.37Å; E249-K253 WeakPolarHBondContact O-CD 3.38Å; E249-K253 WeakPolarHBondContact O-CG 3.43Å; E249-K253 PolarHBondContact O-N 2.91Å; E249-K253 IonicContact OE2-NZ 3.13Å; E249-K253 PolarHBondContact OE2-NZ 3.33Å
250W79.4Confident75.7Confident11 Ų1191 Ų914%0.04242%0.424CS..Hα-helixtrans-64.4-45.5177.3-179.186.3000110.9V234 F235 A246 E247 D248 N252 K253 Q254 P338 V340V234-W250 HydrophobicContact CG1-CZ3 4.21Å; F235-W250 HydrophobicContact CE1-CE3 4.28Å; F235-W250 HydrophobicContact CE2-CE3 4.14Å; F235-W250 HydrophobicContact CZ-CB 4.28Å; F235-W250 AromaticContact CZ-CD2 3.98Å; F235-W250 HydrophobicContact CZ-CD2 3.98Å; F235-W250 AromaticContact CZ-CE3 3.45Å; F235-W250 HydrophobicContact CZ-CE3 3.45Å; F235-W250 VanDerWaalsContact CZ-CE3 3.45Å; F235-W250 HydrophobicContact CZ-CG 4.35Å; F235-W250 HydrophobicContact CZ-CZ3 4.11Å; A246-W250 WeakPolarHBondContact O-CB 3.5Å; A246-W250 PolarHBondContact O-N 3.12Å; E247-W250 WeakPolarHBondContact O-CB 3.26Å; E247-W250 PolarHBondContact O-N 3.04Å; E247-W250 VanDerWaalsContact O-N 3.16Å; D248-W250 VanDerWaalsContact C-N 3.34Å; D248-W250 PolarHBondContact O-N 3.35Å; W250-N252 VanDerWaalsContact C-N 3.32Å; W250-N252 PolarHBondContact O-N 2.88Å; W250-K253 PolarHBondContact O-N 3.44Å; W250-Q254 HydrophobicContact CD2-CG 3.88Å; W250-Q254 HydrophobicContact CE3-CG 4.06Å; W250-Q254 HydrophobicContact CH2-CG 3.77Å; W250-Q254 HydrophobicContact CZ2-CG 3.54Å; W250-Q254 HydrophobicContact CZ3-CG 4.03Å; W250-Q254 WeakPolarHBondContact O-CB 3.27Å; W250-Q254 VanDerWaalsContact O-CG 3.3Å; W250-Q254 WeakPolarHBondContact O-CG 3.46Å; W250-Q254 PolarHBondContact O-N 2.7Å; W250-P338 HydrophobicContact CB-CG 4.05Å; W250-P338 VanDerWaalsContact CD1-CD 3.45Å; W250-P338 HydrophobicContact CG-CG 3.92Å; W250-V340 HydrophobicContact CH2-CG1 4.47Å; W250-V340 HydrophobicContact CH2-CG2 3.73Å; W250-V340 HydrophobicContact CZ2-CB 4.46Å; W250-V340 HydrophobicContact CZ2-CG1 4.5Å; W250-V340 HydrophobicContact CZ2-CG2 3.34Å
251L81.1Confident74.9Confident65 Ų6584.9 Ų84.934%0.3441%0.408SS..Hα-helixtrans-61-42175.9-71.7170.3000111.5V234 F235 E247 D248 Q254 A255V234-L251 HydrophobicContact CB-CD2 4.49Å; V234-L251 HydrophobicContact CG1-CD2 4.4Å; V234-L251 HydrophobicContact CG2-CD2 4.33Å; F235-L251 HydrophobicContact CE2-CD1 4.06Å; F235-L251 HydrophobicContact CE2-CD2 4.42Å; F235-L251 HydrophobicContact CE2-CG 3.98Å; E247-L251 WeakPolarHBondContact O-CG 3.32Å; E247-L251 PolarHBondContact O-N 3.23Å; D248-L251 PolarHBondContact O-N 3.32Å; L251-Q254 PolarHBondContact O-N 3.38Å; L251-A255 VanDerWaalsContact O-CB 3.28Å; L251-A255 WeakPolarHBondContact O-CB 3.43Å; L251-A255 PolarHBondContact O-N 3.32Å
252N81.7Confident74.2Confident94 Ų9484.2 Ų84.250%0.50341%0.409SS..Hα-helixtrans-65.1-43.1174.9-79.6-26.5000111.8D248 E249 W250 Q254 A255 E256D248-N252 VanDerWaalsContact O-CB 3.29Å; D248-N252 WeakPolarHBondContact O-CB 3.46Å; D248-N252 VanDerWaalsContact O-CG 3.32Å; D248-N252 PolarHBondContact O-N 2.66Å; D248-N252 PolarHBondContact O-ND2 3.5Å; E249-N252 PolarHBondContact O-N 3.4Å; W250-N252 VanDerWaalsContact C-N 3.32Å; W250-N252 PolarHBondContact O-N 2.88Å; N252-Q254 VanDerWaalsContact C-N 3.33Å; N252-Q254 PolarHBondContact O-N 3.44Å; N252-A255 PolarHBondContact O-N 3.2Å; N252-E256 WeakPolarHBondContact O-CB 3.4Å; N252-E256 WeakPolarHBondContact O-CG 3.29Å; N252-E256 PolarHBondContact O-N 3.37Å
253K78.4Confident73.6Confident86 Ų8690.2 Ų90.237%0.37444%0.439SS..Hα-helixtrans-62-40.3175.5-74.5164.6-170.7159.60111.3E249 W250 Y257 K304E249-K253 VanDerWaalsContact O-CB 3.31Å; E249-K253 WeakPolarHBondContact O-CB 3.37Å; E249-K253 WeakPolarHBondContact O-CD 3.38Å; E249-K253 WeakPolarHBondContact O-CG 3.43Å; E249-K253 PolarHBondContact O-N 2.91Å; E249-K253 IonicContact OE2-NZ 3.13Å; E249-K253 PolarHBondContact OE2-NZ 3.33Å; W250-K253 PolarHBondContact O-N 3.44Å; K253-Y257 WeakPolarHBondContact O-CB 3.32Å; K253-Y257 PolarHBondContact O-N 2.91Å; K253-K304 HydrophobicContact CG-CD 4.47Å
254Q75.3Confident72.2Confident38 Ų3892.3 Ų92.318%0.17844%0.437CS..Hα-helixtrans-67.8-40.3174-69-62.8-48.900112.1W250 L251 N252 Y257 R258W250-Q254 HydrophobicContact CD2-CG 3.88Å; W250-Q254 HydrophobicContact CE3-CG 4.06Å; W250-Q254 HydrophobicContact CH2-CG 3.77Å; W250-Q254 HydrophobicContact CZ2-CG 3.54Å; W250-Q254 HydrophobicContact CZ3-CG 4.03Å; W250-Q254 WeakPolarHBondContact O-CB 3.27Å; W250-Q254 VanDerWaalsContact O-CG 3.3Å; W250-Q254 WeakPolarHBondContact O-CG 3.46Å; W250-Q254 PolarHBondContact O-N 2.7Å; L251-Q254 PolarHBondContact O-N 3.38Å; N252-Q254 VanDerWaalsContact C-N 3.33Å; N252-Q254 PolarHBondContact O-N 3.44Å; Q254-Y257 WeakPolarHBondContact O-CB 3.48Å; Q254-Y257 PolarHBondContact O-N 2.93Å; Q254-R258 WeakPolarHBondContact O-CG 3.44Å; Q254-R258 PolarHBondContact O-N 2.99Å
255A75.1Confident71Confident33 Ų3392 Ų9227%0.27344%0.444SS..Hα-helixtrans-68.7-38.1176.900000112.1L251 N252 R258 R259L251-A255 VanDerWaalsContact O-CB 3.28Å; L251-A255 WeakPolarHBondContact O-CB 3.43Å; L251-A255 PolarHBondContact O-N 3.32Å; N252-A255 PolarHBondContact O-N 3.2Å; A255-R258 PolarHBondContact O-N 2.97Å; A255-R259 WeakPolarHBondContact O-CB 3.47Å; A255-R259 PolarHBondContact O-N 3.01Å
256E74.8Confident69.5Low85 Ų8586.7 Ų86.740%0.39742%0.423SS..Hα-helixtrans-62.4-43.5169.6-79.9-177172.500111.1N252 R259 K260 K304N252-E256 WeakPolarHBondContact O-CB 3.4Å; N252-E256 WeakPolarHBondContact O-CG 3.29Å; N252-E256 PolarHBondContact O-N 3.37Å; E256-R259 PolarHBondContact O-N 2.87Å; E256-K260 WeakPolarHBondContact O-CB 3.33Å; E256-K260 WeakPolarHBondContact O-CG 3.41Å; E256-K260 PolarHBondContact O-N 3Å; E256-K304 IonicContact OE2-NZ 2.58Å; E256-K304 PolarHBondContact OE2-NZ 3.45Å
257Y64.8Low67.9Low60 Ų6089.1 Ų89.124%0.23544%0.435CS..Hα-helixtrans-57.5-49.8174.2168.1-108000111K253 Q254 K260 L261 N302 L305K253-Y257 WeakPolarHBondContact O-CB 3.32Å; K253-Y257 PolarHBondContact O-N 2.91Å; Q254-Y257 WeakPolarHBondContact O-CB 3.48Å; Q254-Y257 PolarHBondContact O-N 2.93Å; Y257-K260 PolarHBondContact O-N 2.81Å; Y257-L261 WeakPolarHBondContact O-CB 3.29Å; Y257-L261 PolarHBondContact O-N 3.21Å; Y257-N302 WeakPolarHBondContact CD2-ND2 3.5Å; Y257-L305 HydrophobicContact CD2-CD1 4.06Å; Y257-L305 HydrophobicContact CE1-CD1 4.48Å; Y257-L305 HydrophobicContact CE2-CD1 3.26Å; Y257-L305 HydrophobicContact CE2-CD2 4.13Å; Y257-L305 HydrophobicContact CE2-CG 4.16Å; Y257-L305 VanDerWaalsContact CZ-CD1 3.49Å; Y257-L305 WeakPolarHBondContact OH-CD1 3.33Å
258R68.2Low66.5Low144 Ų14496.1 Ų96.154%0.54347%0.473SS..Hα-helixtrans-62-45.1176.9-69.8178.4-171.7-172.13.5111.7Q254 A255 L261 L262Q254-R258 WeakPolarHBondContact O-CG 3.44Å; Q254-R258 PolarHBondContact O-N 2.99Å; A255-R258 PolarHBondContact O-N 2.97Å; R258-L261 WeakPolarHBondContact O-CB 3.36Å; R258-L261 PolarHBondContact O-N 3.45Å; R258-L262 WeakPolarHBondContact O-CB 3.32Å; R258-L262 WeakPolarHBondContact O-CD1 3.42Å; R258-L262 PolarHBondContact O-N 2.95Å
259R67.2Low65.2Low163 Ų16399.8 Ų99.862%0.61549%0.492SS*.Hα-helixtrans-60.5-48.5176.7-86.7-172.4-104.9172.8-6111.8A255 E256 L261 L262 D263A255-R259 WeakPolarHBondContact O-CB 3.47Å; A255-R259 PolarHBondContact O-N 3.01Å; E256-R259 PolarHBondContact O-N 2.87Å; R259-L261 VanDerWaalsContact C-N 3.26Å; R259-L261 PolarHBondContact O-N 3.3Å; R259-L262 CarbonylContact O-C 3.53Å; R259-L262 WeakPolarHBondContact O-CA 3.45Å; R259-L262 WeakPolarHBondContact O-CB 3.37Å; R259-L262 PolarHBondContact O-N 3.37Å; R259-D263 WeakPolarHBondContact O-CB 3.1Å; R259-D263 PolarHBondContact O-N 3.44Å
260K65Low63.9Low115 Ų11599.3 Ų99.350%0.549%0.493SS..Hα-helixtrans-63.3-31.9177.7-75.7-174.5178-173.60113E256 Y257 L262E256-K260 WeakPolarHBondContact O-CB 3.33Å; E256-K260 WeakPolarHBondContact O-CG 3.41Å; E256-K260 PolarHBondContact O-N 3Å; Y257-K260 PolarHBondContact O-N 2.81Å; K260-L262 VanDerWaalsContact C-N 3.31Å
261L60.4Low62.6Low113 Ų113101.7 Ų101.759%0.59251%0.511SS*.Hα-helixtrans-68.2-33.4172.8-162.474.6000111.5Y257 R258 R259Y257-L261 WeakPolarHBondContact O-CB 3.29Å; Y257-L261 PolarHBondContact O-N 3.21Å; R258-L261 WeakPolarHBondContact O-CB 3.36Å; R258-L261 PolarHBondContact O-N 3.45Å; R259-L261 VanDerWaalsContact C-N 3.26Å; R259-L261 PolarHBondContact O-N 3.3Å
262L57.3Low61Low130 Ų130105.4 Ų105.468%0.68153%0.529SS*.Hα-helixtrans-84.2-32.6178.4-80.5150.5000114R258 R259 K260 R264R258-L262 WeakPolarHBondContact O-CB 3.32Å; R258-L262 WeakPolarHBondContact O-CD1 3.42Å; R258-L262 PolarHBondContact O-N 2.95Å; R259-L262 CarbonylContact O-C 3.53Å; R259-L262 WeakPolarHBondContact O-CA 3.45Å; R259-L262 WeakPolarHBondContact O-CB 3.37Å; R259-L262 PolarHBondContact O-N 3.37Å; K260-L262 VanDerWaalsContact C-N 3.31Å; L262-R264 PolarHBondContact O-N 2.9Å
263D57.1Low59.5Low150 Ų150106 Ų10680%0.80253%0.531SS*.SBendtrans-77.1-9-178.8-122.57000112.8R259R259-D263 WeakPolarHBondContact O-CB 3.1Å; R259-D263 PolarHBondContact O-N 3.44Å
264R50.2Low58.4Low136 Ų136105.7 Ų105.751%0.51353%0.531SS..  trans-111.955.2173.4-88.5178.2158.6166.4-9.9111.1L262 V266 Q301L262-R264 PolarHBondContact O-N 2.9Å; R264-V266 VanDerWaalsContact C-N 3.29Å; R264-V266 PolarHBondContact O-N 3.33Å; R264-Q301 VanDerWaalsContact NH1-CD 3.3Å
265V48.3Very low57.3Low113 Ų113108.1 Ų108.169%0.68555%0.545SS*.  trans-79.190152.9178.70000106.8
266V48.9Very low56.2Low53 Ų53109.8 Ų109.832%0.32155%0.55SS..  trans71.898.2149.1-166.70000117.5R264 M272R264-V266 VanDerWaalsContact C-N 3.29Å; R264-V266 PolarHBondContact O-N 3.33Å; V266-M272 HydrophobicContact CG2-SD 4.31Å
267P47.6Very low55.3Low98 Ų98109.8 Ų109.864%0.63656%0.557SS**  trans-67.7128.2133.2-2.921.5000107.9D269P267-D269 PolarHBondContact O-N 3.27Å
268D52.3Low54.9Low154 Ų154112.3 Ų112.382%0.82457%0.573SS**THydrogen-bonded Turntrans-51.41.2-167.5-82.3-34.3000118.5
269D53.3Low54.2Low150 Ų150110.2 Ų110.280%0.80257%0.565SS**THydrogen-bonded Turntrans-104.60.4-168.4-67.6-25.2000115.6P267P267-D269 PolarHBondContact O-N 3.27Å
270L55.7Low53.5Low95 Ų95104 Ų10450%0.49754%0.544SS..SBendtrans-120.2131.9172.4-77.197.7000112.1E274 L275L270-E274 HydrophobicContact CD2-CB 4.21Å; L270-L275 HydrophobicContact CB-CD1 4.25Å
271S52Low52.7Low61 Ų61105.7 Ų105.743%0.42755%0.548SS..  trans-63143.4176.6172.60000110.5N273 E274S271-N273 PolarHBondContact O-N 3.07Å; S271-N273 PolarHBondContact OG-N 3.3Å; S271-E274 PolarHBondContact N-OE2 2.91Å; S271-E274 WeakPolarHBondContact O-CB 3.37Å; S271-E274 PolarHBondContact O-N 2.74Å
272M47.4Very low52.2Low143 Ų143108.7 Ų108.770%0.70456%0.556SS**THydrogen-bonded Turntrans-51.6-23.8175.7-72.6-70.6-87.200113.3V266V266-M272 HydrophobicContact CG2-SD 4.31Å
273N50.2Low51.9Low105 Ų105106.4 Ų106.456%0.56154%0.541SS*.THydrogen-bonded Turntrans-73.8-33.1174.1-71.50.8000113S271 L275 D276 W279S271-N273 PolarHBondContact O-N 3.07Å; S271-N273 PolarHBondContact OG-N 3.3Å; N273-L275 VanDerWaalsContact C-N 3.32Å; N273-L275 PolarHBondContact O-N 3.49Å; N273-D276 PolarHBondContact O-N 3.45Å; N273-W279 WeakPolarHBondContact O-CB 3.32Å
274E54.3Low51.6Low80 Ų80104.7 Ų104.737%0.37453%0.528SS..THydrogen-bonded Turntrans-78.9-16.7-174.8-65.6169.7159.400113L270 S271 W279L270-E274 HydrophobicContact CD2-CB 4.21Å; S271-E274 PolarHBondContact N-OE2 2.91Å; S271-E274 WeakPolarHBondContact O-CB 3.37Å; S271-E274 PolarHBondContact O-N 2.74Å; E274-W279 HydrophobicContact CG-CH2 4Å; E274-W279 HydrophobicContact CG-CZ2 3.98Å; E274-W279 HydrophobicContact CG-CZ3 4.33Å
275L52.5Low51.8Low90 Ų90105.1 Ų105.147%0.47155%0.545SS..THydrogen-bonded Turntrans-83.9-11.4173.8-79.4130.3000113.6L270 N273 P277L270-L275 HydrophobicContact CB-CD1 4.25Å; N273-L275 VanDerWaalsContact C-N 3.32Å; N273-L275 PolarHBondContact O-N 3.49Å; L275-P277 WeakPolarHBondContact O-CD 3.29Å
276D52.6Low52.4Low67 Ų67101.9 Ų101.936%0.35854%0.535SS..  trans-82.5118.6-177.2-165.3-16000110.5N273 I278 W279 L280N273-D276 PolarHBondContact O-N 3.45Å; D276-I278 PolarHBondContact O-N 2.86Å; D276-I278 WeakPolarHBondContact OD1-CB 3.46Å; D276-I278 WeakPolarHBondContact OD1-CG1 3.49Å; D276-I278 PolarHBondContact OD1-N 3.49Å; D276-W279 HydrophobicContact CB-CB 4.1Å; D276-W279 WeakPolarHBondContact O-CA 3.46Å; D276-W279 VanDerWaalsContact O-CB 3.29Å; D276-W279 WeakPolarHBondContact O-CB 3.38Å; D276-W279 PolarHBondContact O-N 3.39Å; D276-L280 PolarHBondContact O-N 2.92Å
277P55.7Low53.8Low85 Ų85103.7 Ų103.755%0.55254%0.543SS*.Hα-helixtrans-58.8-17.7172.921.8-31.5000113.1L275 R281L275-P277 WeakPolarHBondContact O-CD 3.29Å; P277-R281 PolarHBondContact O-N 3Å
278I57.2Low55.6Low113 Ų113102.4 Ų102.458%0.57953%0.526SS*.Hα-helixtrans-74.6-33.5170.9-58.7173.3000111.3D276 R281 K282D276-I278 PolarHBondContact O-N 2.86Å; D276-I278 WeakPolarHBondContact OD1-CB 3.46Å; D276-I278 WeakPolarHBondContact OD1-CG1 3.49Å; D276-I278 PolarHBondContact OD1-N 3.49Å; I278-R281 CarbonylContact O-C 3.55Å; I278-R281 WeakPolarHBondContact O-CB 3.31Å; I278-R281 PolarHBondContact O-N 3.3Å; I278-K282 PolarHBondContact O-N 3.45Å
279W52.1Low57.1Low100 Ų100101.8 Ų101.838%0.37952%0.518SS..Hα-helixtrans-66.2-41.8175.8-178.194.4000111.8N273 E274 D276 R281 K282 K283N273-W279 WeakPolarHBondContact O-CB 3.32Å; E274-W279 HydrophobicContact CG-CH2 4Å; E274-W279 HydrophobicContact CG-CZ2 3.98Å; E274-W279 HydrophobicContact CG-CZ3 4.33Å; D276-W279 HydrophobicContact CB-CB 4.1Å; D276-W279 WeakPolarHBondContact O-CA 3.46Å; D276-W279 VanDerWaalsContact O-CB 3.29Å; D276-W279 WeakPolarHBondContact O-CB 3.38Å; D276-W279 PolarHBondContact O-N 3.39Å; W279-R281 VanDerWaalsContact C-N 3.29Å; W279-R281 PolarHBondContact O-N 2.88Å; W279-K282 PolarHBondContact O-N 2.93Å; W279-K283 PolarHBondContact O-N 3.27Å
280L53.9Low58.3Low33 Ų3396.4 Ų96.417%0.17349%0.494CS..Hα-helixtrans-61.5-39.1172.6-77.3166000112.1D276 K282 K283 A294 Y295D276-L280 PolarHBondContact O-N 2.92Å; L280-K282 VanDerWaalsContact C-N 3.3Å; L280-K282 PolarHBondContact O-N 3.35Å; L280-K283 PolarHBondContact O-N 3.45Å; L280-A294 HydrophobicContact CD1-CB 4.2Å; L280-A294 HydrophobicContact CD2-CB 3.53Å; L280-Y295 HydrophobicContact CD1-CE1 4.19Å
281R47.3Very low59.7Low150 Ų15092.5 Ų92.557%0.56648%0.476SS*.Hα-helixtrans-65-34.4172.3-166.1-176.4174.6-170.7-4.7111.5P277 I278 W279 E284P277-R281 PolarHBondContact O-N 3Å; I278-R281 CarbonylContact O-C 3.55Å; I278-R281 WeakPolarHBondContact O-CB 3.31Å; I278-R281 PolarHBondContact O-N 3.3Å; W279-R281 VanDerWaalsContact C-N 3.29Å; W279-R281 PolarHBondContact O-N 2.88Å; R281-E284 WeakPolarHBondContact CG-OE1 3.45Å; R281-E284 IonicContact NE-OE1 4Å; R281-E284 WeakPolarHBondContact O-CB 3.35Å; R281-E284 WeakPolarHBondContact O-CG 3.39Å; R281-E284 PolarHBondContact O-N 3.23Å
282K50.7Low61.4Low176 Ų17690.6 Ų90.677%0.76546%0.461SS*.Hα-helixtrans-80.2-16-178.4-149.1175.1-177-178.70113.8I278 W279 L280 E284I278-K282 PolarHBondContact O-N 3.45Å; W279-K282 PolarHBondContact O-N 2.93Å; L280-K282 VanDerWaalsContact C-N 3.3Å; L280-K282 PolarHBondContact O-N 3.35Å; K282-E284 PolarHBondContact O-N 2.87Å; K282-E284 VanDerWaalsContact O-N 3.14Å
283K49.8Very low63.3Low83 Ų8388.6 Ų88.636%0.36145%0.453SS..THydrogen-bonded Turntrans-703.7167.4-152.4-175.5173.8-168.40112.8W279 L280 T285 D287W279-K283 PolarHBondContact O-N 3.27Å; L280-K283 PolarHBondContact O-N 3.45Å; K283-T285 PolarHBondContact O-N 3.4Å; K283-D287 WeakPolarHBondContact CE-OD2 3.44Å; K283-D287 IonicContact NZ-OD2 2.62Å; K283-D287 PolarHBondContact NZ-OD2 3.44Å; K283-D287 VanDerWaalsContact NZ-OD2 3.09Å
284E51.1Low64.9Low114 Ų11484.8 Ų84.853%0.53344%0.436SS..THydrogen-bonded Turntrans-49.88176.6-94.9169.1-175.900117.1R281 K282R281-E284 WeakPolarHBondContact CG-OE1 3.45Å; R281-E284 IonicContact NE-OE1 4Å; R281-E284 WeakPolarHBondContact O-CB 3.35Å; R281-E284 WeakPolarHBondContact O-CG 3.39Å; R281-E284 PolarHBondContact O-N 3.23Å; K282-E284 PolarHBondContact O-N 2.87Å; K282-E284 VanDerWaalsContact O-N 3.14Å
285T54.3Low66.6Low144 Ų14481.8 Ų81.888%0.88342%0.421SS*.THydrogen-bonded Turntrans-103.631.5177.360.30000114.8K283K283-T285 PolarHBondContact O-N 3.4Å
286G62.1Low68.4Low46 Ų4680 Ų8047%0.47441%0.414SS..THydrogen-bonded Turntrans151-26.9160.700000117.2Y288G286-Y288 PolarHBondContact O-N 3.49Å; G286-Y288 VanDerWaalsContact O-N 3.17Å
287D78.6Confident70.1Confident91 Ų9182.5 Ų82.549%0.48742%0.424SS..  trans-96.461.5-169.2-67.7-13.3000112.9K283 E289 A290 A291K283-D287 WeakPolarHBondContact CE-OD2 3.44Å; K283-D287 IonicContact NZ-OD2 2.62Å; K283-D287 PolarHBondContact NZ-OD2 3.44Å; K283-D287 VanDerWaalsContact NZ-OD2 3.09Å; D287-E289 PolarHBondContact O-N 2.93Å; D287-A290 HydrophobicContact CB-CB 3.91Å; D287-A290 PolarHBondContact O-N 2.92Å; D287-A291 PolarHBondContact O-N 3.03Å; D287-A291 VanDerWaalsContact O-N 3.15Å
288Y84.3Confident71.5Confident71 Ų7180 Ų8028%0.27841%0.411SS..Hα-helixtrans-59.8-30.6176.2-61.7-66.2000112.5G286 A291 V292 Q318G286-Y288 PolarHBondContact O-N 3.49Å; G286-Y288 VanDerWaalsContact O-N 3.17Å; Y288-A291 PolarHBondContact O-N 3.14Å; Y288-V292 WeakPolarHBondContact O-CG2 3.44Å; Y288-V292 PolarHBondContact O-N 2.9Å; Y288-Q318 HydrophobicContact CD1-CB 3.77Å; Y288-Q318 HydrophobicContact CD1-CG 4.04Å; Y288-Q318 HydrophobicContact CD2-CB 3.71Å; Y288-Q318 HydrophobicContact CE1-CB 3.7Å; Y288-Q318 HydrophobicContact CE1-CG 3.56Å; Y288-Q318 HydrophobicContact CE2-CB 3.62Å; Y288-Q318 HydrophobicContact CE2-CG 4.15Å; Y288-Q318 HydrophobicContact CG-CB 3.77Å
289E83.8Confident73.1Confident141 Ų14175.3 Ų75.366%0.65939%0.387SS*.Hα-helixtrans-65-44.7176.4-60.6-172.5160.200112D287 A291 V292 I293 L319D287-E289 PolarHBondContact O-N 2.93Å; E289-A291 VanDerWaalsContact C-N 3.31Å; E289-A291 PolarHBondContact O-N 3.49Å; E289-V292 PolarHBondContact O-N 2.9Å; E289-I293 WeakPolarHBondContact O-CG1 3.11Å; E289-I293 PolarHBondContact O-N 3.33Å; E289-I293 VanDerWaalsContact O-N 3.07Å; E289-L319 HydrophobicContact CG-CD1 4.15Å; E289-L319 HydrophobicContact CG-CD2 3.73Å
290A78.8Confident74.9Confident36 Ų3675.1 Ų75.130%0.29840%0.396SS..Hα-helixtrans-64.3-38.2176.400000111.4D287 I293 A294D287-A290 HydrophobicContact CB-CB 3.91Å; D287-A290 PolarHBondContact O-N 2.92Å; A290-I293 PolarHBondContact O-N 3.23Å; A290-A294 PolarHBondContact O-N 3.44Å
291A85Confident76.5Confident13 Ų1378.3 Ų78.311%0.10741%0.411CS..Hα-helixtrans-64.2-40.8174.900000112D287 Y288 E289 I293 A294 Y295D287-A291 PolarHBondContact O-N 3.03Å; D287-A291 VanDerWaalsContact O-N 3.15Å; Y288-A291 PolarHBondContact O-N 3.14Å; E289-A291 VanDerWaalsContact C-N 3.31Å; E289-A291 PolarHBondContact O-N 3.49Å; A291-I293 VanDerWaalsContact C-N 3.31Å; A291-I293 PolarHBondContact O-N 2.66Å; A291-A294 PolarHBondContact O-N 3.38Å; A291-Y295 HydrophobicContact CB-CD2 4.49Å; A291-Y295 HydrophobicContact CB-CE2 4.26Å; A291-Y295 WeakPolarHBondContact O-CD2 3.3Å; A291-Y295 PolarHBondContact O-N 2.91Å
292V88.5Confident78.2Confident21 Ų2172.1 Ų72.113%0.12739%0.388CS..Hα-helixtrans-59.6-42.1173.6168.20000111.3Y288 E289 Y295 T296 R312 C315 L319Y288-V292 WeakPolarHBondContact O-CG2 3.44Å; Y288-V292 PolarHBondContact O-N 2.9Å; E289-V292 PolarHBondContact O-N 2.9Å; V292-Y295 PolarHBondContact O-N 3Å; V292-T296 VanDerWaalsContact O-CB 3.29Å; V292-T296 WeakPolarHBondContact O-CB 3.39Å; V292-T296 PolarHBondContact O-N 3.2Å; V292-T296 PolarHBondContact O-OG1 2.66Å; V292-R312 HydrophobicContact CG1-CG 4.34Å; V292-R312 HydrophobicContact CG2-CG 4.4Å; V292-C315 HydrophobicContact CG2-CB 3.54Å; V292-L319 HydrophobicContact CG2-CD1 3.83Å
293I86.9Confident80.1Confident101 Ų10167.3 Ų67.352%0.51838%0.375SS..Hα-helixtrans-62.4-51177.3-65.3166.2000110E289 A290 A291 Y295 T296 E297E289-I293 WeakPolarHBondContact O-CG1 3.11Å; E289-I293 PolarHBondContact O-N 3.33Å; E289-I293 VanDerWaalsContact O-N 3.07Å; A290-I293 PolarHBondContact O-N 3.23Å; A291-I293 VanDerWaalsContact C-N 3.31Å; A291-I293 PolarHBondContact O-N 2.66Å; I293-Y295 VanDerWaalsContact C-N 3.35Å; I293-Y295 PolarHBondContact O-N 3.28Å; I293-T296 CarbonylContact O-C 3.2Å; I293-T296 WeakPolarHBondContact O-CA 3.16Å; I293-T296 WeakPolarHBondContact O-CB 3.35Å; I293-T296 PolarHBondContact O-N 3.4Å; I293-E297 PolarHBondContact O-N 3.01Å
294A84.5Confident81.8Confident26 Ų2668.1 Ų68.122%0.21538%0.379CS..Hα-helixtrans-60.4-41.4179.300000112.6L280 A290 A291 T296 E297 A298L280-A294 HydrophobicContact CD1-CB 4.2Å; L280-A294 HydrophobicContact CD2-CB 3.53Å; A290-A294 PolarHBondContact O-N 3.44Å; A291-A294 PolarHBondContact O-N 3.38Å; A294-T296 VanDerWaalsContact C-N 3.33Å; A294-E297 PolarHBondContact O-N 2.92Å; A294-A298 PolarHBondContact O-N 2.99Å
295Y89Confident83.5Confident17 Ų1763.8 Ų63.87%0.06736%0.359CS..Hα-helixtrans-68.7-33.3174.4-70.1-48.9000112.7L280 A291 V292 I293 A298 I299 A308 N311 R312L280-Y295 HydrophobicContact CD1-CE1 4.19Å; A291-Y295 HydrophobicContact CB-CD2 4.49Å; A291-Y295 HydrophobicContact CB-CE2 4.26Å; A291-Y295 WeakPolarHBondContact O-CD2 3.3Å; A291-Y295 PolarHBondContact O-N 2.91Å; V292-Y295 PolarHBondContact O-N 3Å; I293-Y295 VanDerWaalsContact C-N 3.35Å; I293-Y295 PolarHBondContact O-N 3.28Å; Y295-A298 PolarHBondContact O-N 3.35Å; Y295-I299 WeakPolarHBondContact O-CB 3.32Å; Y295-I299 WeakPolarHBondContact O-CD1 3.33Å; Y295-I299 WeakPolarHBondContact O-CG1 3.46Å; Y295-I299 PolarHBondContact O-N 2.92Å; Y295-A308 HydrophobicContact CD1-CB 4.44Å; Y295-N311 HydrophobicContact CD1-CB 4.32Å; Y295-N311 HydrophobicContact CD2-CB 4.19Å; Y295-N311 HydrophobicContact CE1-CB 3.79Å; Y295-N311 HydrophobicContact CE2-CB 3.6Å; Y295-R312 HydrophobicContact CD2-CB 4.31Å; Y295-R312 HydrophobicContact CG-CB 4.36Å
296T90.7Very high85.2Confident52 Ų5258.3 Ų58.332%0.31932%0.323SS..Hα-helixtrans-65-42.8174.1-60.40000110.4V292 I293 A294 I299 T300 R312V292-T296 VanDerWaalsContact O-CB 3.29Å; V292-T296 WeakPolarHBondContact O-CB 3.39Å; V292-T296 PolarHBondContact O-N 3.2Å; V292-T296 PolarHBondContact O-OG1 2.66Å; I293-T296 CarbonylContact O-C 3.2Å; I293-T296 WeakPolarHBondContact O-CA 3.16Å; I293-T296 WeakPolarHBondContact O-CB 3.35Å; I293-T296 PolarHBondContact O-N 3.4Å; A294-T296 VanDerWaalsContact C-N 3.33Å; T296-I299 PolarHBondContact O-N 3.01Å; T296-T300 WeakPolarHBondContact O-CG2 3.44Å; T296-T300 PolarHBondContact O-N 3.28Å; T296-R312 PolarHBondContact OG1-NH1 3.4Å
297E86.9Confident86.4Confident119 Ų11958 Ų5856%0.55631%0.314SS*.Hα-helixtrans-61.9-43.3171-68.8-178.3176.300112I293 A294 I299 T300 Q301I293-E297 PolarHBondContact O-N 3.01Å; A294-E297 PolarHBondContact O-N 2.92Å; E297-I299 VanDerWaalsContact C-N 3.27Å; E297-I299 PolarHBondContact O-N 3.38Å; E297-T300 WeakPolarHBondContact CA-OG1 3.4Å; E297-T300 PolarHBondContact O-N 3.34Å; E297-T300 PolarHBondContact O-OG1 2.92Å; E297-Q301 VanDerWaalsContact O-CG 3.29Å; E297-Q301 WeakPolarHBondContact O-CG 3.37Å; E297-Q301 PolarHBondContact O-N 3.46Å
298A86.8Confident87Confident34 Ų3453.8 Ų53.828%0.28129%0.292SS..Hα-helixtrans-59.8-38.7175.900000112.3A294 Y295 Q301 N302 A308A294-A298 PolarHBondContact O-N 2.99Å; Y295-A298 PolarHBondContact O-N 3.35Å; A298-Q301 PolarHBondContact O-N 2.97Å; A298-N302 PolarHBondContact O-N 2.62Å; A298-A308 HydrophobicContact CB-CB 4.4Å
299I90.4Very high87.4Confident14 Ų1451.7 Ų51.77%0.07228%0.284CS..Hα-helixtrans-70.3-39.6176.8-71.1162.4000111.4Y295 T296 E297 Q301 N302 P303 A308 Y309 R312Y295-I299 WeakPolarHBondContact O-CB 3.32Å; Y295-I299 WeakPolarHBondContact O-CD1 3.33Å; Y295-I299 WeakPolarHBondContact O-CG1 3.46Å; Y295-I299 PolarHBondContact O-N 2.92Å; T296-I299 PolarHBondContact O-N 3.01Å; E297-I299 VanDerWaalsContact C-N 3.27Å; E297-I299 PolarHBondContact O-N 3.38Å; I299-Q301 VanDerWaalsContact C-N 3.28Å; I299-Q301 PolarHBondContact O-N 3.09Å; I299-N302 CarbonylContact O-C 3.41Å; I299-N302 PolarHBondContact O-N 3.23Å; I299-P303 WeakPolarHBondContact O-CA 3.45Å; I299-P303 WeakPolarHBondContact O-CD 3.48Å; I299-A308 HydrophobicContact CD1-CB 4.32Å; I299-A308 HydrophobicContact CG1-CB 3.79Å; I299-Y309 HydrophobicContact CD1-CD1 3.77Å; I299-Y309 HydrophobicContact CD1-CD2 4.32Å; I299-Y309 HydrophobicContact CD1-CE1 3.84Å; I299-Y309 HydrophobicContact CD1-CE2 4.38Å; I299-Y309 HydrophobicContact CD1-CG 4.03Å; I299-Y309 HydrophobicContact CG1-CD1 4.5Å; I299-Y309 HydrophobicContact CG1-CD2 4.28Å; I299-Y309 HydrophobicContact CG1-CE1 4.33Å; I299-Y309 HydrophobicContact CG1-CE2 4.1Å; I299-Y309 HydrophobicContact CG1-CG 4.48Å; I299-Y309 HydrophobicContact CG2-CE1 3.99Å; I299-Y309 HydrophobicContact CG2-CE2 4.08Å; I299-Y309 VanDerWaalsContact CG2-OH 3.27Å; I299-Y309 WeakPolarHBondContact CG2-OH 3.48Å; I299-R312 VanDerWaalsContact CD1-CZ 3.46Å
300T89.6Confident87.8Confident95 Ų9545.1 Ų45.158%0.58325%0.254SS*.Hα-helixtrans-64.7-36.5176.159.20000111.2T296 E297T296-T300 WeakPolarHBondContact O-CG2 3.44Å; T296-T300 PolarHBondContact O-N 3.28Å; E297-T300 WeakPolarHBondContact CA-OG1 3.4Å; E297-T300 PolarHBondContact O-N 3.34Å; E297-T300 PolarHBondContact O-OG1 2.92Å
301Q87.2Confident88.4Confident101 Ų10145.2 Ų45.247%0.47225%0.249SC..Hα-helixtrans-72.1-38.8174.9-61.7-54.6-11.800112.8R264 E297 A298 I299R264-Q301 VanDerWaalsContact NH1-CD 3.3Å; E297-Q301 VanDerWaalsContact O-CG 3.29Å; E297-Q301 WeakPolarHBondContact O-CG 3.37Å; E297-Q301 PolarHBondContact O-N 3.46Å; A298-Q301 PolarHBondContact O-N 2.97Å; I299-Q301 VanDerWaalsContact C-N 3.28Å; I299-Q301 PolarHBondContact O-N 3.09Å
302N84Confident88.7Confident19 Ų1946.5 Ų46.510%0.10225%0.251CS..  trans-141.697.3175.1-166.1-13.1000112.9Y257 A298 I299 K304 L305Y257-N302 WeakPolarHBondContact CD2-ND2 3.5Å; A298-N302 PolarHBondContact O-N 2.62Å; I299-N302 CarbonylContact O-C 3.41Å; I299-N302 PolarHBondContact O-N 3.23Å; N302-K304 PolarHBondContact O-N 3.48Å; N302-K304 VanDerWaalsContact O-N 3.08Å; N302-K304 PolarHBondContact OD1-N 2.89Å; N302-K304 VanDerWaalsContact OD1-N 3.12Å; N302-L305 WeakPolarHBondContact O-CB 3.26Å; N302-L305 PolarHBondContact O-N 3.13Å
303P89.4Confident89Confident76 Ų7645.5 Ų45.549%0.49425%0.245SC..THydrogen-bonded Turntrans-67-11-179.2-23.533.8000114.9I299 L305 Y309I299-P303 WeakPolarHBondContact O-CA 3.45Å; I299-P303 WeakPolarHBondContact O-CD 3.48Å; P303-L305 VanDerWaalsContact C-N 3.33Å; P303-Y309 WeakPolarHBondContact O-CE2 3.36Å
304K86.2Confident89.2Confident99 Ų9942 Ų4243%0.4323%0.231SC..THydrogen-bonded Turntrans-91.15-179.4-61.6-178.8-177.2172.70112.9K253 E256 N302 H306K253-K304 HydrophobicContact CG-CD 4.47Å; E256-K304 IonicContact OE2-NZ 2.58Å; E256-K304 PolarHBondContact OE2-NZ 3.45Å; N302-K304 PolarHBondContact O-N 3.48Å; N302-K304 VanDerWaalsContact O-N 3.08Å; N302-K304 PolarHBondContact OD1-N 2.89Å; N302-K304 VanDerWaalsContact OD1-N 3.12Å; K304-H306 PolarHBondContact O-N 3.26Å; K304-H306 VanDerWaalsContact O-N 3.15Å
305L86.9Confident89.6Confident24 Ų2441.3 Ų41.313%0.12623%0.225CC..  trans-84.286.9-174.4-173.949.9000112.5Y257 N302 P303 S307 A308 Y309Y257-L305 HydrophobicContact CD2-CD1 4.06Å; Y257-L305 HydrophobicContact CE1-CD1 4.48Å; Y257-L305 HydrophobicContact CE2-CD1 3.26Å; Y257-L305 HydrophobicContact CE2-CD2 4.13Å; Y257-L305 HydrophobicContact CE2-CG 4.16Å; Y257-L305 VanDerWaalsContact CZ-CD1 3.49Å; Y257-L305 WeakPolarHBondContact OH-CD1 3.33Å; N302-L305 WeakPolarHBondContact O-CB 3.26Å; N302-L305 PolarHBondContact O-N 3.13Å; P303-L305 VanDerWaalsContact C-N 3.33Å; L305-S307 WeakPolarHBondContact CD1-OG 3.46Å; L305-S307 WeakPolarHBondContact CG-OG 3.28Å; L305-S307 PolarHBondContact O-N 3.43Å; L305-S307 VanDerWaalsContact O-N 3.15Å; L305-A308 HydrophobicContact CB-CB 4.15Å; L305-A308 HydrophobicContact CD2-CB 3.77Å; L305-A308 HydrophobicContact CG-CB 3.72Å; L305-A308 PolarHBondContact O-N 3.47Å; L305-A308 VanDerWaalsContact O-N 3.09Å; L305-Y309 WeakPolarHBondContact O-CD2 3.39Å; L305-Y309 PolarHBondContact O-N 2.81Å
306H89.1Confident89.8Confident28 Ų2841.1 Ų41.113%0.1322%0.224CC..Hα-helixtrans-56.4-31.2179.865.580.3000113.8K304 S310 L335 S346K304-H306 PolarHBondContact O-N 3.26Å; K304-H306 VanDerWaalsContact O-N 3.15Å; H306-S310 WeakPolarHBondContact O-CB 3.39Å; H306-S310 PolarHBondContact O-N 3.22Å; H306-L335 HydrophobicContact CB-CB 3.75Å; H306-L335 HydrophobicContact CB-CD1 4.37Å; H306-S346 PolarHBondContact CE1-OG 3.37Å; H306-S346 WeakPolarHBondContact ND1-CB 3.41Å; H306-S346 PolarHBondContact ND1-OG 2.93Å
307S88.9Confident89.8Confident39 Ų3939.8 Ų39.827%0.27322%0.215SC..Hα-helixtrans-68.9-34.4178.861.50000112.7L305 S310 N311L305-S307 WeakPolarHBondContact CD1-OG 3.46Å; L305-S307 WeakPolarHBondContact CG-OG 3.28Å; L305-S307 PolarHBondContact O-N 3.43Å; L305-S307 VanDerWaalsContact O-N 3.15Å; S307-S310 PolarHBondContact O-N 2.93Å; S307-N311 WeakPolarHBondContact O-CB 3.44Å; S307-N311 VanDerWaalsContact O-CG 3.23Å; S307-N311 PolarHBondContact O-N 3.47Å; S307-N311 PolarHBondContact O-ND2 3.04Å
308A89.5Confident90.1Very high3 Ų339.6 Ų39.63%0.02521%0.214CC..Hα-helixtrans-68.8-45.8177.400000111Y295 A298 I299 L305 S310 N311 R312Y295-A308 HydrophobicContact CD1-CB 4.44Å; A298-A308 HydrophobicContact CB-CB 4.4Å; I299-A308 HydrophobicContact CD1-CB 4.32Å; I299-A308 HydrophobicContact CG1-CB 3.79Å; L305-A308 HydrophobicContact CB-CB 4.15Å; L305-A308 HydrophobicContact CD2-CB 3.77Å; L305-A308 HydrophobicContact CG-CB 3.72Å; L305-A308 PolarHBondContact O-N 3.47Å; L305-A308 VanDerWaalsContact O-N 3.09Å; A308-S310 VanDerWaalsContact C-N 3.34Å; A308-S310 PolarHBondContact O-N 3.49Å; A308-N311 PolarHBondContact O-N 2.68Å; A308-R312 VanDerWaalsContact O-CB 3.32Å; A308-R312 WeakPolarHBondContact O-CB 3.39Å; A308-R312 PolarHBondContact O-N 3.02Å
309Y92.8Very high90.2Very high28 Ų2840.3 Ų40.311%0.1121%0.213CC..Hα-helixtrans-57.9-47.3172-73.6-79.5000111.6I299 P303 L305 N311 R312 A313 M331 L335I299-Y309 HydrophobicContact CD1-CD1 3.77Å; I299-Y309 HydrophobicContact CD1-CD2 4.32Å; I299-Y309 HydrophobicContact CD1-CE1 3.84Å; I299-Y309 HydrophobicContact CD1-CE2 4.38Å; I299-Y309 HydrophobicContact CD1-CG 4.03Å; I299-Y309 HydrophobicContact CG1-CD1 4.5Å; I299-Y309 HydrophobicContact CG1-CD2 4.28Å; I299-Y309 HydrophobicContact CG1-CE1 4.33Å; I299-Y309 HydrophobicContact CG1-CE2 4.1Å; I299-Y309 HydrophobicContact CG1-CG 4.48Å; I299-Y309 HydrophobicContact CG2-CE1 3.99Å; I299-Y309 HydrophobicContact CG2-CE2 4.08Å; I299-Y309 VanDerWaalsContact CG2-OH 3.27Å; I299-Y309 WeakPolarHBondContact CG2-OH 3.48Å; P303-Y309 WeakPolarHBondContact O-CE2 3.36Å; L305-Y309 WeakPolarHBondContact O-CD2 3.39Å; L305-Y309 PolarHBondContact O-N 2.81Å; Y309-N311 VanDerWaalsContact C-N 3.32Å; Y309-N311 PolarHBondContact O-N 3.2Å; Y309-R312 PolarHBondContact O-N 3.41Å; Y309-A313 WeakPolarHBondContact O-CB 3.12Å; Y309-A313 PolarHBondContact O-N 3.5Å; Y309-M331 HydrophobicContact CD1-CB 3.97Å; Y309-M331 HydrophobicContact CD1-CG 3.77Å; Y309-M331 HydrophobicContact CD2-CG 4.15Å; Y309-M331 HydrophobicContact CE1-CB 4.23Å; Y309-M331 HydrophobicContact CE1-CG 3.6Å; Y309-M331 HydrophobicContact CE2-CG 4.01Å; Y309-M331 HydrophobicContact CG-CB 4.29Å; Y309-M331 HydrophobicContact CG-CG 4.03Å; Y309-L335 HydrophobicContact CD2-CD1 3.57Å; Y309-L335 HydrophobicContact CE2-CD1 3.57Å
310S92.1Very high90.2Very high3 Ų348.7 Ų48.72%0.02124%0.244CC..Hα-helixtrans-61-42.1179.9-157.80000111.4H306 S307 A308 A313 A314 R353H306-S310 WeakPolarHBondContact O-CB 3.39Å; H306-S310 PolarHBondContact O-N 3.22Å; S307-S310 PolarHBondContact O-N 2.93Å; A308-S310 VanDerWaalsContact C-N 3.34Å; A308-S310 PolarHBondContact O-N 3.49Å; S310-A313 WeakPolarHBondContact O-CB 3.43Å; S310-A313 PolarHBondContact O-N 3.43Å; S310-A314 PolarHBondContact O-N 3.39Å; S310-R353 VanDerWaalsContact O-CD 3.23Å; S310-R353 WeakPolarHBondContact O-CD 3.39Å; S310-R353 PolarHBondContact O-NE 3.46Å; S310-R353 PolarHBondContact O-NH1 3Å; S310-R353 PolarHBondContact OG-NH1 2.78Å
311N91.3Very high90.3Very high38 Ų3847.3 Ų47.320%0.20323%0.233CC..Hα-helixtrans-72.8-36.1178.5-68-18.7000112.7Y295 S307 A308 Y309 A313 A314 C315 R353Y295-N311 HydrophobicContact CD1-CB 4.32Å; Y295-N311 HydrophobicContact CD2-CB 4.19Å; Y295-N311 HydrophobicContact CE1-CB 3.79Å; Y295-N311 HydrophobicContact CE2-CB 3.6Å; S307-N311 WeakPolarHBondContact O-CB 3.44Å; S307-N311 VanDerWaalsContact O-CG 3.23Å; S307-N311 PolarHBondContact O-N 3.47Å; S307-N311 PolarHBondContact O-ND2 3.04Å; A308-N311 PolarHBondContact O-N 2.68Å; Y309-N311 VanDerWaalsContact C-N 3.32Å; Y309-N311 PolarHBondContact O-N 3.2Å; N311-A313 VanDerWaalsContact C-N 3.32Å; N311-A313 PolarHBondContact O-N 2.85Å; N311-A314 WeakPolarHBondContact O-CB 3.33Å; N311-A314 PolarHBondContact O-N 3.35Å; N311-A314 VanDerWaalsContact O-N 3.09Å; N311-C315 PolarHBondContact O-N 3.29Å; N311-C315 PolarHBondContact O-SG 3.28Å; N311-C315 VanDerWaalsContact O-SG 3.39Å; N311-R353 PolarHBondContact OD1-NH1 3.33Å; N311-R353 PolarHBondContact OD1-NH2 2.65Å
312R92.7Very high90.5Very high40 Ų4044.7 Ų44.715%0.15122%0.219CC..Hα-helixtrans-61.9-40.2172.4-165.117371.1177.6-1.2111.4V292 Y295 T296 I299 A308 Y309 A314 C315 H316 D328V292-R312 HydrophobicContact CG1-CG 4.34Å; V292-R312 HydrophobicContact CG2-CG 4.4Å; Y295-R312 HydrophobicContact CD2-CB 4.31Å; Y295-R312 HydrophobicContact CG-CB 4.36Å; T296-R312 PolarHBondContact OG1-NH1 3.4Å; I299-R312 VanDerWaalsContact CD1-CZ 3.46Å; A308-R312 VanDerWaalsContact O-CB 3.32Å; A308-R312 WeakPolarHBondContact O-CB 3.39Å; A308-R312 PolarHBondContact O-N 3.02Å; Y309-R312 PolarHBondContact O-N 3.41Å; R312-A314 VanDerWaalsContact C-N 3.3Å; R312-A314 PolarHBondContact O-N 3.38Å; R312-C315 PolarHBondContact O-N 2.96Å; R312-H316 PolarHBondContact O-CD2 2.95Å; R312-H316 PolarHBondContact O-N 3.21Å; R312-D328 WeakPolarHBondContact CB-OD2 3.5Å; R312-D328 WeakPolarHBondContact CG-OD2 3.3Å; R312-D328 IonicContact CZ-OD1 3.6Å; R312-D328 IonicContact CZ-OD2 3.09Å; R312-D328 IonicContact NE-OD1 2.73Å; R312-D328 PolarHBondContact NE-OD1 2.97Å; R312-D328 IonicContact NE-OD2 3.23Å; R312-D328 PolarHBondContact NE-OD2 3.27Å; R312-D328 IonicContact NH2-OD1 2.68Å; R312-D328 PolarHBondContact NH2-OD1 3.23Å; R312-D328 IonicContact NH2-OD2 3.59Å
313A93.6Very high91Very high0 Ų050.8 Ų50.80%025%0.245CC..Hα-helixtrans-57.5-41.7170.800000112.2Y309 S310 N311 H316 L317 A325 D328 S329Y309-A313 WeakPolarHBondContact O-CB 3.12Å; Y309-A313 PolarHBondContact O-N 3.5Å; S310-A313 WeakPolarHBondContact O-CB 3.43Å; S310-A313 PolarHBondContact O-N 3.43Å; N311-A313 VanDerWaalsContact C-N 3.32Å; N311-A313 PolarHBondContact O-N 2.85Å; A313-H316 PolarHBondContact O-N 2.96Å; A313-L317 WeakPolarHBondContact O-CG 3.44Å; A313-L317 PolarHBondContact O-N 2.89Å; A313-A325 HydrophobicContact CB-CB 4.47Å; A313-D328 HydrophobicContact CB-CB 3.7Å; A313-S329 WeakPolarHBondContact CB-OG 3.36Å
314A92.6Very high91.1Very high26 Ų2652.5 Ų52.522%0.21524%0.244CC..Hα-helixtrans-62.6-43.9176.300000112.2S310 N311 R312 H316 L317 Q318S310-A314 PolarHBondContact O-N 3.39Å; N311-A314 WeakPolarHBondContact O-CB 3.33Å; N311-A314 PolarHBondContact O-N 3.35Å; N311-A314 VanDerWaalsContact O-N 3.09Å; R312-A314 VanDerWaalsContact C-N 3.3Å; R312-A314 PolarHBondContact O-N 3.38Å; A314-H316 VanDerWaalsContact C-N 3.33Å; A314-H316 PolarHBondContact O-N 3.38Å; A314-L317 WeakPolarHBondContact O-CB 3.42Å; A314-L317 PolarHBondContact O-N 3.07Å; A314-Q318 WeakPolarHBondContact O-CG 3.32Å; A314-Q318 PolarHBondContact O-N 3.06Å
315C91.4Very high91.4Very high13 Ų1347.8 Ų47.89%0.08822%0.224CC..Hα-helixtrans-63.3-40.2174.7-58.60000111.4V292 N311 R312 L317 Q318 L319V292-C315 HydrophobicContact CG2-CB 3.54Å; N311-C315 PolarHBondContact O-N 3.29Å; N311-C315 PolarHBondContact O-SG 3.28Å; N311-C315 VanDerWaalsContact O-SG 3.39Å; R312-C315 PolarHBondContact O-N 2.96Å; C315-L317 PolarHBondContact O-N 3.29Å; C315-Q318 PolarHBondContact O-N 3.29Å; C315-L319 WeakPolarHBondContact O-CG 3.49Å; C315-L319 PolarHBondContact O-N 2.9Å
316H93.2Very high91.8Very high12 Ų1247.7 Ų47.76%0.05622%0.224CC..Hα-helixtrans-64.2-36.3175.6-80.1-44.7000113.2R312 A313 A314 Q318 L319 R320 N321 K324 A325 D328R312-H316 PolarHBondContact O-CD2 2.95Å; R312-H316 PolarHBondContact O-N 3.21Å; A313-H316 PolarHBondContact O-N 2.96Å; A314-H316 VanDerWaalsContact C-N 3.33Å; A314-H316 PolarHBondContact O-N 3.38Å; H316-Q318 VanDerWaalsContact C-N 3.34Å; H316-L319 CarbonylContact O-C 3.39Å; H316-L319 PolarHBondContact O-N 3.45Å; H316-R320 PolarHBondContact O-N 3.05Å; H316-R320 VanDerWaalsContact O-N 3.12Å; H316-N321 HydrophobicContact CB-CB 4.08Å; H316-N321 PolarHBondContact O-N 3.05Å; H316-K324 HydrophobicContact CB-CB 4.45Å; H316-A325 HydrophobicContact CB-CB 3.91Å; H316-D328 IonicContact CD2-OD2 3.54Å; H316-D328 PolarHBondContact CD2-OD2 2.92Å; H316-D328 IonicContact NE2-OD2 3.01Å
317L92.2Very high92Very high25 Ų2552.8 Ų52.813%0.13125%0.247CC..Hα-helixtrans-59.8-44.7171.7-74.7173.7000111.5A313 A314 C315 L319 R320 Y322 A325 R353 A356 A357A313-L317 WeakPolarHBondContact O-CG 3.44Å; A313-L317 PolarHBondContact O-N 2.89Å; A314-L317 WeakPolarHBondContact O-CB 3.42Å; A314-L317 PolarHBondContact O-N 3.07Å; C315-L317 PolarHBondContact O-N 3.29Å; L317-L319 VanDerWaalsContact C-N 3.35Å; L317-R320 PolarHBondContact O-N 3.48Å; L317-R320 VanDerWaalsContact O-N 3.13Å; L317-Y322 HydrophobicContact CD2-CD1 4.22Å; L317-A325 HydrophobicContact CD2-CB 3.91Å; L317-A325 HydrophobicContact CG-CB 3.89Å; L317-R353 HydrophobicContact CD1-CB 4.17Å; L317-R353 HydrophobicContact CD1-CG 4.27Å; L317-A356 HydrophobicContact CD1-CB 4.07Å; L317-A356 HydrophobicContact CD2-CB 4.46Å; L317-A357 HydrophobicContact CD2-CB 3.74Å
318Q91.2Very high92.2Very high114 Ų11451.3 Ų51.353%0.53324%0.236SC..Hα-helixtrans-67.7-35178.6-61.9-60.5-33.100112.5Y288 A314 C315 H316 R320Y288-Q318 HydrophobicContact CD1-CB 3.77Å; Y288-Q318 HydrophobicContact CD1-CG 4.04Å; Y288-Q318 HydrophobicContact CD2-CB 3.71Å; Y288-Q318 HydrophobicContact CE1-CB 3.7Å; Y288-Q318 HydrophobicContact CE1-CG 3.56Å; Y288-Q318 HydrophobicContact CE2-CB 3.62Å; Y288-Q318 HydrophobicContact CE2-CG 4.15Å; Y288-Q318 HydrophobicContact CG-CB 3.77Å; A314-Q318 WeakPolarHBondContact O-CG 3.32Å; A314-Q318 PolarHBondContact O-N 3.06Å; C315-Q318 PolarHBondContact O-N 3.29Å; H316-Q318 VanDerWaalsContact C-N 3.34Å; Q318-R320 PolarHBondContact O-N 3.37Å
319L90.2Very high92.4Very high50 Ų5051.1 Ų51.126%0.26224%0.235SC..THydrogen-bonded Turntrans-78.34.3173.3-67.4171.8000113.9E289 V292 C315 H316 L317 N321E289-L319 HydrophobicContact CG-CD1 4.15Å; E289-L319 HydrophobicContact CG-CD2 3.73Å; V292-L319 HydrophobicContact CG2-CD1 3.83Å; C315-L319 WeakPolarHBondContact O-CG 3.49Å; C315-L319 PolarHBondContact O-N 2.9Å; H316-L319 CarbonylContact O-C 3.39Å; H316-L319 PolarHBondContact O-N 3.45Å; L317-L319 VanDerWaalsContact C-N 3.35Å; L319-N321 PolarHBondContact O-N 2.89Å
320R90.2Very high92.5Very high190 Ų19051.5 Ų51.572%0.71724%0.241SC*.THydrogen-bonded Turntrans58.723.1-176.2-53.1-174.8177.3-160.7-2.6115H316 L317 Q318 Y322H316-R320 PolarHBondContact O-N 3.05Å; H316-R320 VanDerWaalsContact O-N 3.12Å; L317-R320 PolarHBondContact O-N 3.48Å; L317-R320 VanDerWaalsContact O-N 3.13Å; Q318-R320 PolarHBondContact O-N 3.37Å; R320-Y322 VanDerWaalsContact C-N 3.33Å; R320-Y322 HydrophobicContact CB-CE1 4.12Å; R320-Y322 HydrophobicContact CB-CE2 4.24Å; R320-Y322 HydrophobicContact CG-CE1 4.49Å; R320-Y322 WeakPolarHBondContact CG-OH 3.39Å; R320-Y322 PolarHBondContact O-N 2.92Å
321N90.9Very high92.6Very high66 Ų6655.1 Ų55.135%0.35326%0.259SS..  trans-89.864.3176-75-47.9000110.6H316 L319 F323 K324 A325H316-N321 HydrophobicContact CB-CB 4.08Å; H316-N321 PolarHBondContact O-N 3.05Å; L319-N321 PolarHBondContact O-N 2.89Å; N321-F323 PolarHBondContact O-N 3.41Å; N321-K324 HydrophobicContact CB-CB 4.41Å; N321-K324 HydrophobicContact CB-CD 4.49Å; N321-K324 PolarHBondContact O-N 2.91Å; N321-A325 PolarHBondContact O-N 3.23Å
322Y92.9Very high92.6Very high46 Ų4653.3 Ų53.318%0.1825%0.25CC..Hα-helixtrans-63.6-38.4-167.1-48.8-54.1000114.2L317 R320 K324 A325 L326 N360 L361L317-Y322 HydrophobicContact CD2-CD1 4.22Å; R320-Y322 VanDerWaalsContact C-N 3.33Å; R320-Y322 HydrophobicContact CB-CE1 4.12Å; R320-Y322 HydrophobicContact CB-CE2 4.24Å; R320-Y322 HydrophobicContact CG-CE1 4.49Å; R320-Y322 WeakPolarHBondContact CG-OH 3.39Å; R320-Y322 PolarHBondContact O-N 2.92Å; Y322-K324 PolarHBondContact O-N 2.92Å; Y322-A325 WeakPolarHBondContact O-CB 3.47Å; Y322-A325 PolarHBondContact O-N 3.46Å; Y322-L326 PolarHBondContact O-N 3.08Å; Y322-N360 HydrophobicContact CD1-CB 3.5Å; Y322-N360 VanDerWaalsContact CD1-CB 3.5Å; Y322-N360 HydrophobicContact CD2-CB 4.03Å; Y322-N360 HydrophobicContact CE1-CB 3.38Å; Y322-N360 VanDerWaalsContact CE1-CG 3.48Å; Y322-N360 HydrophobicContact CE2-CB 3.91Å; Y322-N360 HydrophobicContact CG-CB 3.83Å; Y322-N360 PolarHBondContact OH-OD1 3.22Å; Y322-L361 HydrophobicContact CD2-CD2 4.06Å; Y322-L361 HydrophobicContact CD2-CG 4.35Å; Y322-L361 HydrophobicContact CG-CD2 4.43Å; Y322-L361 HydrophobicContact CG-CG 4.35Å
323F93Very high92.6Very high146 Ų14652.5 Ų52.564%0.6425%0.248SC*.Hα-helixtrans-61.7-43.8176.4-70.2-74000112.4N321 A325 L326 E327 L361N321-F323 PolarHBondContact O-N 3.41Å; F323-A325 VanDerWaalsContact C-N 3.31Å; F323-A325 PolarHBondContact O-N 3.34Å; F323-L326 WeakPolarHBondContact O-CB 3.27Å; F323-L326 PolarHBondContact O-N 2.86Å; F323-E327 PolarHBondContact O-N 3.44Å; F323-E327 VanDerWaalsContact O-N 3.07Å; F323-L361 HydrophobicContact CD1-CD1 4.35Å; F323-L361 HydrophobicContact CD2-CD2 4.35Å; F323-L361 HydrophobicContact CE1-CD1 4.23Å; F323-L361 HydrophobicContact CE1-CD2 4.38Å; F323-L361 HydrophobicContact CE2-CD2 3.84Å; F323-L361 HydrophobicContact CZ-CD2 3.86Å
324K91.9Very high92.5Very high112 Ų11257.7 Ų57.749%0.48728%0.276SS..Hα-helixtrans-65.2-36.9175.5-65-174.4178-179.60111.6H316 N321 Y322 L326 E327 D328H316-K324 HydrophobicContact CB-CB 4.45Å; N321-K324 HydrophobicContact CB-CB 4.41Å; N321-K324 HydrophobicContact CB-CD 4.49Å; N321-K324 PolarHBondContact O-N 2.91Å; Y322-K324 PolarHBondContact O-N 2.92Å; K324-L326 VanDerWaalsContact C-N 3.33Å; K324-L326 PolarHBondContact O-N 3.47Å; K324-E327 PolarHBondContact O-N 2.87Å; K324-D328 WeakPolarHBondContact O-CB 3.3Å; K324-D328 PolarHBondContact O-N 3.33Å
325A93.3Very high92.4Very high0 Ų058.7 Ų58.70%028%0.277CS..Hα-helixtrans-63.6-36.9174.300000112.5A313 H316 L317 N321 Y322 F323 S329 A357A313-A325 HydrophobicContact CB-CB 4.47Å; H316-A325 HydrophobicContact CB-CB 3.91Å; L317-A325 HydrophobicContact CD2-CB 3.91Å; L317-A325 HydrophobicContact CG-CB 3.89Å; N321-A325 PolarHBondContact O-N 3.23Å; Y322-A325 WeakPolarHBondContact O-CB 3.47Å; Y322-A325 PolarHBondContact O-N 3.46Å; F323-A325 VanDerWaalsContact C-N 3.31Å; F323-A325 PolarHBondContact O-N 3.34Å; A325-S329 VanDerWaalsContact O-CB 3.23Å; A325-S329 WeakPolarHBondContact O-CB 3.45Å; A325-S329 PolarHBondContact O-N 3.43Å; A325-S329 PolarHBondContact O-OG 3.4Å; A325-A357 HydrophobicContact CB-CB 4.15Å
326L94Very high92.2Very high23 Ų2358.1 Ų58.112%0.1227%0.274CS..Hα-helixtrans-64.8-46.5174-75.6176000112.1Y322 F323 K324 S329 S330 R354 A357 F358 L361Y322-L326 PolarHBondContact O-N 3.08Å; F323-L326 WeakPolarHBondContact O-CB 3.27Å; F323-L326 PolarHBondContact O-N 2.86Å; K324-L326 VanDerWaalsContact C-N 3.33Å; K324-L326 PolarHBondContact O-N 3.47Å; L326-S329 PolarHBondContact O-N 2.93Å; L326-S330 WeakPolarHBondContact O-CB 3.45Å; L326-S330 PolarHBondContact O-N 2.88Å; L326-S330 PolarHBondContact O-OG 3.42Å; L326-R354 HydrophobicContact CD2-CG 3.67Å; L326-R354 WeakPolarHBondContact CD2-O 3.48Å; L326-A357 HydrophobicContact CD2-CB 3.63Å; L326-A357 HydrophobicContact CG-CB 3.71Å; L326-F358 HydrophobicContact CD1-CD1 4.07Å; L326-F358 HydrophobicContact CD1-CE1 3.84Å; L326-F358 HydrophobicContact CD1-CZ 4.47Å; L326-F358 HydrophobicContact CD2-CD1 3.85Å; L326-F358 HydrophobicContact CD2-CD2 3.89Å; L326-F358 HydrophobicContact CD2-CE1 3.74Å; L326-F358 HydrophobicContact CD2-CE2 3.8Å; L326-F358 HydrophobicContact CD2-CG 3.92Å; L326-F358 HydrophobicContact CD2-CZ 3.72Å; L326-F358 HydrophobicContact CG-CE1 4.48Å; L326-L361 HydrophobicContact CD1-CD1 3.47Å; L326-L361 VanDerWaalsContact CD1-CD1 3.47Å; L326-L361 HydrophobicContact CG-CD1 4.36Å
327E93.8Very high91.9Very high135 Ų13562.3 Ų62.363%0.63130%0.3SS*.Hα-helixtrans-59-51177.4-72.1176.2-179.500110.9F323 K324 S329 S330 M331F323-E327 PolarHBondContact O-N 3.44Å; F323-E327 VanDerWaalsContact O-N 3.07Å; K324-E327 PolarHBondContact O-N 2.87Å; E327-S329 PolarHBondContact O-N 3.35Å; E327-S330 PolarHBondContact O-N 3.22Å; E327-M331 WeakPolarHBondContact O-CB 3.5Å; E327-M331 PolarHBondContact O-N 3.37Å
328D93.7Very high91.4Very high7 Ų762.6 Ų62.64%0.03730%0.303CS..Hα-helixtrans-64.4-39.1179.8-82.2-14.5000112.9R312 A313 H316 K324 S330 M331 A332R312-D328 WeakPolarHBondContact CB-OD2 3.5Å; R312-D328 WeakPolarHBondContact CG-OD2 3.3Å; R312-D328 IonicContact CZ-OD1 3.6Å; R312-D328 IonicContact CZ-OD2 3.09Å; R312-D328 IonicContact NE-OD1 2.73Å; R312-D328 PolarHBondContact NE-OD1 2.97Å; R312-D328 IonicContact NE-OD2 3.23Å; R312-D328 PolarHBondContact NE-OD2 3.27Å; R312-D328 IonicContact NH2-OD1 2.68Å; R312-D328 PolarHBondContact NH2-OD1 3.23Å; R312-D328 IonicContact NH2-OD2 3.59Å; A313-D328 HydrophobicContact CB-CB 3.7Å; H316-D328 IonicContact CD2-OD2 3.54Å; H316-D328 PolarHBondContact CD2-OD2 2.92Å; H316-D328 IonicContact NE2-OD2 3.01Å; K324-D328 WeakPolarHBondContact O-CB 3.3Å; K324-D328 PolarHBondContact O-N 3.33Å; D328-S330 VanDerWaalsContact C-N 3.34Å; D328-M331 PolarHBondContact O-N 3.35Å; D328-A332 WeakPolarHBondContact O-CB 3.5Å; D328-A332 PolarHBondContact O-N 2.84Å
329S93.5Very high91.2Very high0 Ų061.1 Ų61.10%030%0.303CS..Hα-helixtrans-68.5-36.7177.5-58.10000111.6A313 A325 L326 E327 A332 L333A313-S329 WeakPolarHBondContact CB-OG 3.36Å; A325-S329 VanDerWaalsContact O-CB 3.23Å; A325-S329 WeakPolarHBondContact O-CB 3.45Å; A325-S329 PolarHBondContact O-N 3.43Å; A325-S329 PolarHBondContact O-OG 3.4Å; L326-S329 PolarHBondContact O-N 2.93Å; E327-S329 PolarHBondContact O-N 3.35Å; S329-A332 PolarHBondContact O-N 2.96Å; S329-L333 WeakPolarHBondContact O-CG 3.3Å; S329-L333 PolarHBondContact O-N 3.48Å; S329-L333 VanDerWaalsContact O-N 3.13Å
330S94.9Very high90.9Very high35 Ų3559.2 Ų59.225%0.24529%0.294CS..Hα-helixtrans-68-45.1175.7-57.30000110.9L326 E327 D328 A332 L333 D334 R354L326-S330 WeakPolarHBondContact O-CB 3.45Å; L326-S330 PolarHBondContact O-N 2.88Å; L326-S330 PolarHBondContact O-OG 3.42Å; E327-S330 PolarHBondContact O-N 3.22Å; D328-S330 VanDerWaalsContact C-N 3.34Å; S330-A332 VanDerWaalsContact C-N 3.28Å; S330-A332 PolarHBondContact O-N 3.41Å; S330-L333 WeakPolarHBondContact O-CB 3.12Å; S330-L333 PolarHBondContact O-N 3.46Å; S330-D334 PolarHBondContact O-N 2.9Å; S330-R354 WeakPolarHBondContact OG-CD 3.45Å
331M93.2Very high90.8Very high79 Ų7954.6 Ų54.639%0.38930%0.296SS..Hα-helixtrans-60.3-38.4174.2-169.260.563.600112.1Y309 E327 D328 L333 D334 L335Y309-M331 HydrophobicContact CD1-CB 3.97Å; Y309-M331 HydrophobicContact CD1-CG 3.77Å; Y309-M331 HydrophobicContact CD2-CG 4.15Å; Y309-M331 HydrophobicContact CE1-CB 4.23Å; Y309-M331 HydrophobicContact CE1-CG 3.6Å; Y309-M331 HydrophobicContact CE2-CG 4.01Å; Y309-M331 HydrophobicContact CG-CB 4.29Å; Y309-M331 HydrophobicContact CG-CG 4.03Å; E327-M331 WeakPolarHBondContact O-CB 3.5Å; E327-M331 PolarHBondContact O-N 3.37Å; D328-M331 PolarHBondContact O-N 3.35Å; M331-L333 VanDerWaalsContact C-N 3.32Å; M331-L333 PolarHBondContact O-N 3.29Å; M331-D334 PolarHBondContact O-N 3.39Å; M331-L335 HydrophobicContact CG-CD1 4.23Å; M331-L335 WeakPolarHBondContact O-CB 3.35Å; M331-L335 VanDerWaalsContact O-CG 3.26Å; M331-L335 WeakPolarHBondContact O-CG 3.28Å; M331-L335 PolarHBondContact O-N 2.94Å
332A92.4Very high90.5Very high1 Ų156.8 Ų56.81%0.00830%0.304CS..Hα-helixtrans-63.1-36.5174.800000112.6D328 S329 S330 C336 A350D328-A332 WeakPolarHBondContact O-CB 3.5Å; D328-A332 PolarHBondContact O-N 2.84Å; S329-A332 PolarHBondContact O-N 2.96Å; S330-A332 VanDerWaalsContact C-N 3.28Å; S330-A332 PolarHBondContact O-N 3.41Å; A332-C336 PolarHBondContact O-N 2.93Å; A332-C336 PolarHBondContact O-SG 2.9Å; A332-A350 HydrophobicContact CB-CB 4.04Å
333L92.1Very high90.2Very high22 Ų2254.9 Ų54.912%0.11530%0.297CS..Hα-helixtrans-70.8-43.5175.2-73.1169.6000111.9S329 S330 M331 L335 C336 R347 A350S329-L333 WeakPolarHBondContact O-CG 3.3Å; S329-L333 PolarHBondContact O-N 3.48Å; S329-L333 VanDerWaalsContact O-N 3.13Å; S330-L333 WeakPolarHBondContact O-CB 3.12Å; S330-L333 PolarHBondContact O-N 3.46Å; M331-L333 VanDerWaalsContact C-N 3.32Å; M331-L333 PolarHBondContact O-N 3.29Å; L333-L335 VanDerWaalsContact C-N 3.27Å; L333-L335 PolarHBondContact O-N 3.02Å; L333-C336 WeakPolarHBondContact O-CA 3.49Å; L333-C336 WeakPolarHBondContact O-CB 3.39Å; L333-C336 PolarHBondContact O-N 3.5Å; L333-R347 HydrophobicContact CD2-CB 4.4Å; L333-A350 HydrophobicContact CD1-CB 4.48Å; L333-A350 HydrophobicContact CD2-CB 3.71Å; L333-A350 HydrophobicContact CG-CB 3.67Å
334D92.7Very high90Very high109 Ų10950.7 Ų50.758%0.58328%0.281SS*.Hα-helixtrans-61.5-37.2178.8-67.7-20.9000111.8S330 M331 C336 V337S330-D334 PolarHBondContact O-N 2.9Å; M331-D334 PolarHBondContact O-N 3.39Å; D334-C336 VanDerWaalsContact C-N 3.27Å; D334-C336 PolarHBondContact O-N 3.27Å; D334-V337 WeakPolarHBondContact O-CG2 3.23Å
335L89.7Confident89.9Confident47 Ų4752.5 Ų52.525%0.24629%0.289CS..THydrogen-bonded Turntrans-74.8-14174.8-68.2173.7000113.5H306 Y309 M331 L333 V337H306-L335 HydrophobicContact CB-CB 3.75Å; H306-L335 HydrophobicContact CB-CD1 4.37Å; Y309-L335 HydrophobicContact CD2-CD1 3.57Å; Y309-L335 HydrophobicContact CE2-CD1 3.57Å; M331-L335 HydrophobicContact CG-CD1 4.23Å; M331-L335 WeakPolarHBondContact O-CB 3.35Å; M331-L335 VanDerWaalsContact O-CG 3.26Å; M331-L335 WeakPolarHBondContact O-CG 3.28Å; M331-L335 PolarHBondContact O-N 2.94Å; L333-L335 VanDerWaalsContact C-N 3.27Å; L333-L335 PolarHBondContact O-N 3.02Å; L335-V337 VanDerWaalsContact C-N 3.27Å; L335-V337 PolarHBondContact O-N 2.93Å
336C87.1Confident89.8Confident2 Ų253.6 Ų53.61%0.01430%0.297CS..THydrogen-bonded Turntrans-9231.5176.7-71.10000113.1A332 L333 D334 P338 N343 R347A332-C336 PolarHBondContact O-N 2.93Å; A332-C336 PolarHBondContact O-SG 2.9Å; L333-C336 WeakPolarHBondContact O-CA 3.49Å; L333-C336 WeakPolarHBondContact O-CB 3.39Å; L333-C336 PolarHBondContact O-N 3.5Å; D334-C336 VanDerWaalsContact C-N 3.27Å; D334-C336 PolarHBondContact O-N 3.27Å; C336-P338 CarbonylContact O-C 3.58Å; C336-N343 PolarHBondContact O-ND2 2.67Å; C336-N343 VanDerWaalsContact O-ND2 3.11Å; C336-R347 HydrophobicContact CB-CG 3.42Å; C336-R347 VanDerWaalsContact CB-CG 3.42Å
337V86.8Confident89.7Confident100 Ų10054.9 Ų54.961%0.60630%0.3SS*.  trans-109.2130174.8-177.40000109.5D334 L335D334-V337 WeakPolarHBondContact O-CG2 3.23Å; L335-V337 VanDerWaalsContact C-N 3.27Å; L335-V337 PolarHBondContact O-N 2.93Å
338P82.9Confident89.7Confident31 Ų3148.7 Ų48.720%0.20127%0.271CS..SBendcis-68.8157.5-2.826.9-38.8000115.6F235 W250 C336 V340 N343F235-P338 HydrophobicContact CE1-CB 4.39Å; F235-P338 HydrophobicContact CE1-CG 3.66Å; F235-P338 HydrophobicContact CZ-CG 4.18Å; W250-P338 HydrophobicContact CB-CG 4.05Å; W250-P338 VanDerWaalsContact CD1-CD 3.45Å; W250-P338 HydrophobicContact CG-CG 3.92Å; C336-P338 CarbonylContact O-C 3.58Å; P338-V340 PolarHBondContact O-N 3.5Å; P338-N343 PolarHBondContact O-ND2 3.17Å
339P85.5Confident89.6Confident82 Ų8254.1 Ų54.153%0.53229%0.291SS..  trans-68.1112.5172.429.2-34.7000110.7
340V84.5Confident89.6Confident10 Ų1054.1 Ų54.16%0.06129%0.291CS..  trans-126.5157.8178.6-730000111.5F235 W250 P338 Q342 N343 L344F235-V340 HydrophobicContact CD1-CG1 3.63Å; F235-V340 HydrophobicContact CE1-CG1 3.24Å; F235-V340 HydrophobicContact CZ-CG1 4.15Å; W250-V340 HydrophobicContact CH2-CG1 4.47Å; W250-V340 HydrophobicContact CH2-CG2 3.73Å; W250-V340 HydrophobicContact CZ2-CB 4.46Å; W250-V340 HydrophobicContact CZ2-CG1 4.5Å; W250-V340 HydrophobicContact CZ2-CG2 3.34Å; P338-V340 PolarHBondContact O-N 3.5Å; V340-Q342 HydrophobicContact CG2-CB 4.28Å; V340-Q342 PolarHBondContact O-N 2.91Å; V340-Q342 VanDerWaalsContact O-N 3.12Å; V340-N343 HydrophobicContact CG2-CB 4.07Å; V340-N343 VanDerWaalsContact CG2-CG 3.44Å; V340-N343 PolarHBondContact N-OD1 3.2Å; V340-N343 PolarHBondContact O-N 3.42Å; V340-N343 VanDerWaalsContact O-N 3.1Å; V340-N343 PolarHBondContact O-OD1 3.11Å; V340-L344 PolarHBondContact O-N 3.45Å; V340-L344 VanDerWaalsContact O-N 3.16Å
341A87.1Confident89.6Confident93 Ų9353.7 Ų53.777%0.76929%0.285SS*.THydrogen-bonded Turntrans-55.9-32.617700000112.7N343 L344A341-N343 PolarHBondContact O-N 3.4Å; A341-L344 WeakPolarHBondContact O-CB 3.34Å; A341-L344 PolarHBondContact O-N 3.34Å
342Q84.5Confident89.7Confident113 Ų11352 Ų5253%0.52828%0.277SS..THydrogen-bonded Turntrans-67.4-34179.3-65.5-178.111.900113.5V340V340-Q342 HydrophobicContact CG2-CB 4.28Å; V340-Q342 PolarHBondContact O-N 2.91Å; V340-Q342 VanDerWaalsContact O-N 3.12Å
343N86.7Confident89.8Confident5 Ų554 Ų543%0.02729%0.285CS..THydrogen-bonded Turntrans-97.70.918071.611.6000113.3C336 P338 V340 A341 K345 S346 R347C336-N343 PolarHBondContact O-ND2 2.67Å; C336-N343 VanDerWaalsContact O-ND2 3.11Å; P338-N343 PolarHBondContact O-ND2 3.17Å; V340-N343 HydrophobicContact CG2-CB 4.07Å; V340-N343 VanDerWaalsContact CG2-CG 3.44Å; V340-N343 PolarHBondContact N-OD1 3.2Å; V340-N343 PolarHBondContact O-N 3.42Å; V340-N343 VanDerWaalsContact O-N 3.1Å; V340-N343 PolarHBondContact O-OD1 3.11Å; A341-N343 PolarHBondContact O-N 3.4Å; N343-K345 VanDerWaalsContact C-N 3.35Å; N343-K345 PolarHBondContact O-N 3.09Å; N343-S346 WeakPolarHBondContact O-CA 3.29Å; N343-S346 WeakPolarHBondContact O-CB 3.28Å; N343-S346 PolarHBondContact O-N 2.78Å; N343-R347 WeakPolarHBondContact O-CG 3.38Å; N343-R347 PolarHBondContact O-N 2.94Å; N343-R347 WeakPolarHBondContact OD1-CD 3.48Å
344L89.9Confident89.9Confident59 Ų5955.4 Ų55.431%0.30929%0.289SS..Hα-helixtrans-49-52.4179.8-177.965.8000112.2V340 A341 S346 R347 V348 L377V340-L344 PolarHBondContact O-N 3.45Å; V340-L344 VanDerWaalsContact O-N 3.16Å; A341-L344 WeakPolarHBondContact O-CB 3.34Å; A341-L344 PolarHBondContact O-N 3.34Å; L344-S346 VanDerWaalsContact C-N 3.27Å; L344-S346 PolarHBondContact O-N 2.9Å; L344-R347 PolarHBondContact O-N 3.34Å; L344-V348 VanDerWaalsContact O-CG2 3.32Å; L344-V348 WeakPolarHBondContact O-CG2 3.48Å; L344-V348 PolarHBondContact O-N 3.43Å; L344-L377 HydrophobicContact CD1-CB 4.08Å; L344-L377 HydrophobicContact CD1-CD2 4.36Å
345K90.6Very high90Very high150 Ų15050.2 Ų50.265%0.65226%0.261SS*.Hα-helixtrans-61-35.1179.2-66.1-173.2178.5-177.90113N343 R349N343-K345 VanDerWaalsContact C-N 3.35Å; N343-K345 PolarHBondContact O-N 3.09Å; K345-R349 WeakPolarHBondContact O-CB 3.33Å; K345-R349 VanDerWaalsContact O-CG 3.25Å; K345-R349 WeakPolarHBondContact O-CG 3.5Å; K345-R349 PolarHBondContact O-N 3.13Å; K345-R349 VanDerWaalsContact O-N 3.09Å
346S90Very high90.2Very high22 Ų2249 Ų4915%0.15426%0.257CS..Hα-helixtrans-73-39.2179.4-62.20000111.4H306 N343 L344 R349 A350H306-S346 PolarHBondContact CE1-OG 3.37Å; H306-S346 WeakPolarHBondContact ND1-CB 3.41Å; H306-S346 PolarHBondContact ND1-OG 2.93Å; N343-S346 WeakPolarHBondContact O-CA 3.29Å; N343-S346 WeakPolarHBondContact O-CB 3.28Å; N343-S346 PolarHBondContact O-N 2.78Å; L344-S346 VanDerWaalsContact C-N 3.27Å; L344-S346 PolarHBondContact O-N 2.9Å; S346-R349 PolarHBondContact O-N 3.44Å; S346-A350 WeakPolarHBondContact O-CB 3.39Å; S346-A350 PolarHBondContact O-N 3.28Å
347R91.5Very high90.6Very high50 Ų5048.9 Ų48.919%0.18926%0.256CS..Hα-helixtrans-64-46.5175-67.9171.861.8-144.9-0.4111.7L333 C336 N343 L344 R349 A350 H351 L377L333-R347 HydrophobicContact CD2-CB 4.4Å; C336-R347 HydrophobicContact CB-CG 3.42Å; C336-R347 VanDerWaalsContact CB-CG 3.42Å; N343-R347 WeakPolarHBondContact O-CG 3.38Å; N343-R347 PolarHBondContact O-N 2.94Å; N343-R347 WeakPolarHBondContact OD1-CD 3.48Å; L344-R347 PolarHBondContact O-N 3.34Å; R347-R349 PolarHBondContact O-N 2.86Å; R347-A350 PolarHBondContact O-N 3.45Å; R347-H351 PolarHBondContact O-CD2 3.21Å; R347-H351 VanDerWaalsContact O-CD2 3.27Å; R347-H351 PolarHBondContact O-N 3.14Å; R347-L377 HydrophobicContact CB-CD1 3.99Å
348V93.7Very high91Very high5 Ų546 Ų463%0.0324%0.236CC..Hα-helixtrans-57.1-50.9175173.50000110.4L344 A350 H351 I352 L377 Q378 I384L344-V348 VanDerWaalsContact O-CG2 3.32Å; L344-V348 WeakPolarHBondContact O-CG2 3.48Å; L344-V348 PolarHBondContact O-N 3.43Å; V348-A350 VanDerWaalsContact C-N 3.31Å; V348-A350 PolarHBondContact O-N 3.03Å; V348-H351 PolarHBondContact O-N 3.23Å; V348-I352 HydrophobicContact CG1-CD1 3.78Å; V348-I352 HydrophobicContact CG1-CG1 4.5Å; V348-I352 WeakPolarHBondContact O-CG1 3.45Å; V348-I352 PolarHBondContact O-N 3.09Å; V348-L377 HydrophobicContact CG2-CB 3.65Å; V348-L377 HydrophobicContact CG2-CD1 4.11Å; V348-Q378 HydrophobicContact CG2-CB 4.15Å; V348-I384 HydrophobicContact CG1-CD1 3.97Å
349R92.8Very high91.5Very high121 Ų12145.5 Ų45.546%0.45723%0.233SC..Hα-helixtrans-59.9-39.3177.4-75.3172.9178.8176.1-0.6113K345 S346 R347 I352 R353K345-R349 WeakPolarHBondContact O-CB 3.33Å; K345-R349 VanDerWaalsContact O-CG 3.25Å; K345-R349 WeakPolarHBondContact O-CG 3.5Å; K345-R349 PolarHBondContact O-N 3.13Å; K345-R349 VanDerWaalsContact O-N 3.09Å; S346-R349 PolarHBondContact O-N 3.44Å; R347-R349 PolarHBondContact O-N 2.86Å; R349-I352 PolarHBondContact O-N 3.48Å; R349-R353 VanDerWaalsContact O-CB 3.31Å; R349-R353 WeakPolarHBondContact O-CB 3.33Å; R349-R353 WeakPolarHBondContact O-CD 3.39Å; R349-R353 WeakPolarHBondContact O-CG 3.45Å; R349-R353 PolarHBondContact O-N 3.5Å
350A93.5Very high91.8Very high0 Ų045.5 Ų45.50%023%0.228CC..Hα-helixtrans-68.1-41.8179.500000111.7A332 L333 S346 R347 V348 R353 R354A332-A350 HydrophobicContact CB-CB 4.04Å; L333-A350 HydrophobicContact CD1-CB 4.48Å; L333-A350 HydrophobicContact CD2-CB 3.71Å; L333-A350 HydrophobicContact CG-CB 3.67Å; S346-A350 WeakPolarHBondContact O-CB 3.39Å; S346-A350 PolarHBondContact O-N 3.28Å; R347-A350 PolarHBondContact O-N 3.45Å; V348-A350 VanDerWaalsContact C-N 3.31Å; V348-A350 PolarHBondContact O-N 3.03Å; A350-R353 PolarHBondContact O-N 2.9Å; A350-R354 VanDerWaalsContact O-CB 3.25Å; A350-R354 WeakPolarHBondContact O-CB 3.41Å; A350-R354 PolarHBondContact O-N 3.36Å
351H94.9Very high92.2Very high26 Ų2647 Ų4712%0.1224%0.236CC..Hα-helixtrans-61.1-45.8171.4-78-63.1000112.2R347 V348 R353 R354 G355 E370 A374R347-H351 PolarHBondContact O-CD2 3.21Å; R347-H351 VanDerWaalsContact O-CD2 3.27Å; R347-H351 PolarHBondContact O-N 3.14Å; V348-H351 PolarHBondContact O-N 3.23Å; H351-R353 PolarHBondContact O-N 3.38Å; H351-R354 PolarHBondContact O-N 3.01Å; H351-G355 PolarHBondContact O-N 2.96Å; H351-E370 IonicContact CE1-OE2 3.91Å; H351-E370 IonicContact CG-OE2 2.66Å; H351-E370 IonicContact ND1-OE2 3.22Å; H351-E370 PolarHBondContact ND1-OE2 2.77Å; H351-A374 HydrophobicContact CB-CB 3.91Å
352I94.8Very high92.4Very high43 Ų4349.7 Ų49.722%0.22123%0.233CC..Hα-helixtrans-61.5-46.3177.9-66.7168.9000111V348 R349 R354 G355 A356 Y371 A374 I384V348-I352 HydrophobicContact CG1-CD1 3.78Å; V348-I352 HydrophobicContact CG1-CG1 4.5Å; V348-I352 WeakPolarHBondContact O-CG1 3.45Å; V348-I352 PolarHBondContact O-N 3.09Å; R349-I352 PolarHBondContact O-N 3.48Å; I352-R354 VanDerWaalsContact C-N 3.33Å; I352-R354 PolarHBondContact O-N 3.01Å; I352-G355 PolarHBondContact O-N 2.91Å; I352-A356 WeakPolarHBondContact O-CB 3.17Å; I352-A356 PolarHBondContact O-N 2.87Å; I352-Y371 HydrophobicContact CG2-CE1 4.18Å; I352-A374 HydrophobicContact CG1-CB 3.95Å; I352-I384 HydrophobicContact CD1-CD1 3.84Å; I352-I384 HydrophobicContact CD1-CG1 3.92Å; I352-I384 HydrophobicContact CG1-CD1 4.5Å
353R94.3Very high92.8Very high43 Ų4347.9 Ų47.916%0.16223%0.226CC..Hα-helixtrans-64.6-38.4179.3-72.2166174.7173.3-16.1111.6S310 N311 L317 R349 A350 H351 A357S310-R353 VanDerWaalsContact O-CD 3.23Å; S310-R353 WeakPolarHBondContact O-CD 3.39Å; S310-R353 PolarHBondContact O-NE 3.46Å; S310-R353 PolarHBondContact O-NH1 3Å; S310-R353 PolarHBondContact OG-NH1 2.78Å; N311-R353 PolarHBondContact OD1-NH1 3.33Å; N311-R353 PolarHBondContact OD1-NH2 2.65Å; L317-R353 HydrophobicContact CD1-CB 4.17Å; L317-R353 HydrophobicContact CD1-CG 4.27Å; R349-R353 VanDerWaalsContact O-CB 3.31Å; R349-R353 WeakPolarHBondContact O-CB 3.33Å; R349-R353 WeakPolarHBondContact O-CD 3.39Å; R349-R353 WeakPolarHBondContact O-CG 3.45Å; R349-R353 PolarHBondContact O-N 3.5Å; A350-R353 PolarHBondContact O-N 2.9Å; H351-R353 PolarHBondContact O-N 3.38Å; R353-A357 WeakPolarHBondContact O-CB 3.18Å; R353-A357 PolarHBondContact O-N 2.8Å
354R95.2Very high93Very high53 Ų5350.6 Ų50.620%0.224%0.236CC..Hα-helixtrans-66.4-45.8174.5-162.7164.270.41603.4111.7L326 S330 A350 H351 I352 A357 F358 E370L326-R354 HydrophobicContact CD2-CG 3.67Å; L326-R354 WeakPolarHBondContact CD2-O 3.48Å; S330-R354 WeakPolarHBondContact OG-CD 3.45Å; A350-R354 VanDerWaalsContact O-CB 3.25Å; A350-R354 WeakPolarHBondContact O-CB 3.41Å; A350-R354 PolarHBondContact O-N 3.36Å; H351-R354 PolarHBondContact O-N 3.01Å; I352-R354 VanDerWaalsContact C-N 3.33Å; I352-R354 PolarHBondContact O-N 3.01Å; R354-A357 WeakPolarHBondContact O-CB 3.28Å; R354-A357 PolarHBondContact O-N 2.85Å; R354-F358 HydrophobicContact CG-CD2 4.2Å; R354-F358 HydrophobicContact CG-CE2 3.77Å; R354-F358 VanDerWaalsContact O-CD2 3.29Å; R354-F358 WeakPolarHBondContact O-CD2 3.32Å; R354-F358 PolarHBondContact O-N 2.95Å; R354-E370 HydrophobicContact CB-CG 4.46Å; R354-E370 HydrophobicContact CG-CG 4.4Å; R354-E370 VanDerWaalsContact CZ-CD 3.5Å; R354-E370 IonicContact CZ-OE1 2.99Å; R354-E370 VanDerWaalsContact CZ-OE1 3.28Å; R354-E370 IonicContact CZ-OE2 3.53Å; R354-E370 VanDerWaalsContact CZ-OE2 3.23Å; R354-E370 IonicContact NE-OE1 3.68Å; R354-E370 PolarHBondContact NE-OE1 2.8Å; R354-E370 IonicContact NE-OE2 3.36Å; R354-E370 PolarHBondContact NE-OE2 2.86Å; R354-E370 IonicContact NH2-OE1 3.12Å; R354-E370 PolarHBondContact NH2-OE1 3.49Å; R354-E370 IonicContact NH2-OE2 3.01Å; R354-E370 PolarHBondContact NH2-OE2 2.83Å
355G94.2Very high93.1Very high0 Ų054.9 Ų54.90%025%0.253CS..Hα-helixtrans-59.7-46.6175.100000112.4H351 I352 A357 F358 C359H351-G355 PolarHBondContact O-N 2.96Å; I352-G355 PolarHBondContact O-N 2.91Å; G355-A357 VanDerWaalsContact C-N 3.31Å; G355-A357 PolarHBondContact O-N 2.88Å; G355-F358 PolarHBondContact O-N 2.85Å; G355-F358 VanDerWaalsContact O-N 3.17Å; G355-C359 PolarHBondContact O-N 3.39Å; G355-C359 PolarHBondContact O-SG 3.29Å
356A94.3Very high93.2Very high20 Ų2051.7 Ų51.717%0.16524%0.24CC..Hα-helixtrans-59.8-39.8174.900000112.2L317 I352 C359 N360L317-A356 HydrophobicContact CD1-CB 4.07Å; L317-A356 HydrophobicContact CD2-CB 4.46Å; I352-A356 WeakPolarHBondContact O-CB 3.17Å; I352-A356 PolarHBondContact O-N 2.87Å; A356-C359 PolarHBondContact O-N 2.79Å; A356-N360 PolarHBondContact O-N 3.42Å; A356-N360 PolarHBondContact O-ND2 3.15Å
357A94.7Very high93.3Very high0 Ų050.6 Ų50.60%023%0.232CC..Hα-helixtrans-65-41.4175.800000111.9L317 A325 L326 R353 R354 G355 N360 L361L317-A357 HydrophobicContact CD2-CB 3.74Å; A325-A357 HydrophobicContact CB-CB 4.15Å; L326-A357 HydrophobicContact CD2-CB 3.63Å; L326-A357 HydrophobicContact CG-CB 3.71Å; R353-A357 WeakPolarHBondContact O-CB 3.18Å; R353-A357 PolarHBondContact O-N 2.8Å; R354-A357 WeakPolarHBondContact O-CB 3.28Å; R354-A357 PolarHBondContact O-N 2.85Å; G355-A357 VanDerWaalsContact C-N 3.31Å; G355-A357 PolarHBondContact O-N 2.88Å; A357-N360 PolarHBondContact O-N 3.28Å; A357-L361 WeakPolarHBondContact O-CG 3.28Å; A357-L361 PolarHBondContact O-N 3.12Å; A357-L361 VanDerWaalsContact O-N 3.1Å
358F94.8Very high93.4Very high40 Ų4048.9 Ų48.918%0.17523%0.227CC..Hα-helixtrans-62.3-45.4173.9-76.6-54.4000112.5L326 R354 G355 N360 L361 Q362 L363 E366 E370L326-F358 HydrophobicContact CD1-CD1 4.07Å; L326-F358 HydrophobicContact CD1-CE1 3.84Å; L326-F358 HydrophobicContact CD1-CZ 4.47Å; L326-F358 HydrophobicContact CD2-CD1 3.85Å; L326-F358 HydrophobicContact CD2-CD2 3.89Å; L326-F358 HydrophobicContact CD2-CE1 3.74Å; L326-F358 HydrophobicContact CD2-CE2 3.8Å; L326-F358 HydrophobicContact CD2-CG 3.92Å; L326-F358 HydrophobicContact CD2-CZ 3.72Å; L326-F358 HydrophobicContact CG-CE1 4.48Å; R354-F358 HydrophobicContact CG-CD2 4.2Å; R354-F358 HydrophobicContact CG-CE2 3.77Å; R354-F358 VanDerWaalsContact O-CD2 3.29Å; R354-F358 WeakPolarHBondContact O-CD2 3.32Å; R354-F358 PolarHBondContact O-N 2.95Å; G355-F358 PolarHBondContact O-N 2.85Å; G355-F358 VanDerWaalsContact O-N 3.17Å; F358-N360 VanDerWaalsContact C-N 3.31Å; F358-N360 PolarHBondContact O-N 3.11Å; F358-L361 CarbonylContact O-C 3.56Å; F358-L361 WeakPolarHBondContact O-CA 3.38Å; F358-L361 PolarHBondContact O-N 2.92Å; F358-Q362 PolarHBondContact O-N 3.38Å; F358-L363 HydrophobicContact CB-CB 4.26Å; F358-L363 HydrophobicContact CD1-CB 4.14Å; F358-L363 HydrophobicContact CD1-CD1 3.98Å; F358-L363 HydrophobicContact CE1-CD1 4.39Å; F358-L363 PolarHBondContact O-N 3.47Å; F358-E366 HydrophobicContact CB-CB 4.37Å; F358-E366 HydrophobicContact CD1-CB 4.04Å; F358-E366 HydrophobicContact CD2-CB 4.16Å; F358-E366 HydrophobicContact CE1-CB 4.33Å; F358-E366 HydrophobicContact CE2-CB 4.43Å; F358-E366 HydrophobicContact CG-CB 3.96Å; F358-E370 HydrophobicContact CD2-CG 3.87Å; F358-E370 HydrophobicContact CE2-CG 3.92Å
359C93.2Very high93.4Very high20 Ų2053.7 Ų53.714%0.13525%0.251CS..Hα-helixtrans-60.7-39.8176.7-63.10000112.1G355 A356 L361 Q362 Y364 L391G355-C359 PolarHBondContact O-N 3.39Å; G355-C359 PolarHBondContact O-SG 3.29Å; A356-C359 PolarHBondContact O-N 2.79Å; C359-L361 PolarHBondContact O-N 3.46Å; C359-Q362 PolarHBondContact O-N 3.47Å; C359-Q362 VanDerWaalsContact O-N 3.11Å; C359-Y364 HydrophobicContact CB-CD1 4.22Å; C359-Y364 HydrophobicContact CB-CE1 4.41Å; C359-Y364 WeakPolarHBondContact O-CE1 3.43Å; C359-L391 HydrophobicContact CB-CD2 4.42Å; C359-L391 VanDerWaalsContact SG-CD2 3.51Å
360N92.8Very high93.5Very high82 Ų8248.9 Ų48.944%0.43923%0.234SC..Hα-helixtrans-68.3-23.2175-81-77.2000113.6Y322 A356 A357 F358 Q362Y322-N360 HydrophobicContact CD1-CB 3.5Å; Y322-N360 VanDerWaalsContact CD1-CB 3.5Å; Y322-N360 HydrophobicContact CD2-CB 4.03Å; Y322-N360 HydrophobicContact CE1-CB 3.38Å; Y322-N360 VanDerWaalsContact CE1-CG 3.48Å; Y322-N360 HydrophobicContact CE2-CB 3.91Å; Y322-N360 HydrophobicContact CG-CB 3.83Å; Y322-N360 PolarHBondContact OH-OD1 3.22Å; A356-N360 PolarHBondContact O-N 3.42Å; A356-N360 PolarHBondContact O-ND2 3.15Å; A357-N360 PolarHBondContact O-N 3.28Å; F358-N360 VanDerWaalsContact C-N 3.31Å; F358-N360 PolarHBondContact O-N 3.11Å; N360-Q362 VanDerWaalsContact C-N 3.3Å
361L93.4Very high93.5Very high42 Ų4249.8 Ų49.822%0.2224%0.238CC..THydrogen-bonded Turntrans-88.58.7172.6-70.9168.1000113.1Y322 F323 L326 A357 F358 C359 L363Y322-L361 HydrophobicContact CD2-CD2 4.06Å; Y322-L361 HydrophobicContact CD2-CG 4.35Å; Y322-L361 HydrophobicContact CG-CD2 4.43Å; Y322-L361 HydrophobicContact CG-CG 4.35Å; F323-L361 HydrophobicContact CD1-CD1 4.35Å; F323-L361 HydrophobicContact CD2-CD2 4.35Å; F323-L361 HydrophobicContact CE1-CD1 4.23Å; F323-L361 HydrophobicContact CE1-CD2 4.38Å; F323-L361 HydrophobicContact CE2-CD2 3.84Å; F323-L361 HydrophobicContact CZ-CD2 3.86Å; L326-L361 HydrophobicContact CD1-CD1 3.47Å; L326-L361 VanDerWaalsContact CD1-CD1 3.47Å; L326-L361 HydrophobicContact CG-CD1 4.36Å; A357-L361 WeakPolarHBondContact O-CG 3.28Å; A357-L361 PolarHBondContact O-N 3.12Å; A357-L361 VanDerWaalsContact O-N 3.1Å; F358-L361 CarbonylContact O-C 3.56Å; F358-L361 WeakPolarHBondContact O-CA 3.38Å; F358-L361 PolarHBondContact O-N 2.92Å; C359-L361 PolarHBondContact O-N 3.46Å; L361-L363 HydrophobicContact CB-CD1 4.47Å; L361-L363 HydrophobicContact CB-CG 4.49Å; L361-L363 PolarHBondContact O-N 3.17Å
362Q91.4Very high93.5Very high150 Ų15053.8 Ų53.870%0.70125%0.251SS*.THydrogen-bonded Turntrans63.517.7-176.5-54.5175.5-6.200114.3F358 C359 N360 Y364F358-Q362 PolarHBondContact O-N 3.38Å; C359-Q362 PolarHBondContact O-N 3.47Å; C359-Q362 VanDerWaalsContact O-N 3.11Å; N360-Q362 VanDerWaalsContact C-N 3.3Å; Q362-Y364 VanDerWaalsContact C-N 3.33Å; Q362-Y364 HydrophobicContact CB-CE2 4.28Å; Q362-Y364 PolarHBondContact O-N 3.12Å
363L91.2Very high93.5Very high74 Ų7453 Ų5339%0.38725%0.252SS..  trans-94.164.5174.7-66.4175.9000109.5F358 L361 K365 E366 G367F358-L363 HydrophobicContact CB-CB 4.26Å; F358-L363 HydrophobicContact CD1-CB 4.14Å; F358-L363 HydrophobicContact CD1-CD1 3.98Å; F358-L363 HydrophobicContact CE1-CD1 4.39Å; F358-L363 PolarHBondContact O-N 3.47Å; L361-L363 HydrophobicContact CB-CD1 4.47Å; L361-L363 HydrophobicContact CB-CG 4.49Å; L361-L363 PolarHBondContact O-N 3.17Å; L363-K365 VanDerWaalsContact C-N 3.33Å; L363-K365 PolarHBondContact O-N 2.86Å; L363-E366 HydrophobicContact CB-CB 4.26Å; L363-E366 HydrophobicContact CB-CG 4.45Å; L363-E366 WeakPolarHBondContact CB-OE2 3.44Å; L363-E366 PolarHBondContact O-N 2.61Å; L363-G367 PolarHBondContact O-N 3.19Å
364Y91.6Very high93.5Very high62 Ų6251 Ų5124%0.24324%0.244CC..Hα-helixtrans-67.2-32.2-171.1-57.4-65.5000113.3C359 Q362 G367 L368 L391C359-Y364 HydrophobicContact CB-CD1 4.22Å; C359-Y364 HydrophobicContact CB-CE1 4.41Å; C359-Y364 WeakPolarHBondContact O-CE1 3.43Å; Q362-Y364 VanDerWaalsContact C-N 3.33Å; Q362-Y364 HydrophobicContact CB-CE2 4.28Å; Q362-Y364 PolarHBondContact O-N 3.12Å; Y364-G367 PolarHBondContact O-N 2.9Å; Y364-L368 WeakPolarHBondContact O-CB 3.33Å; Y364-L368 PolarHBondContact O-N 2.77Å; Y364-L391 HydrophobicContact CD1-CD2 4.21Å
365K92.1Very high93.4Very high150 Ų15051.7 Ų51.765%0.65225%0.25SC*.Hα-helixtrans-65.2-44.1177.6-67.7179.5-178.8173.80111L363 L368 I369 V395L363-K365 VanDerWaalsContact C-N 3.33Å; L363-K365 PolarHBondContact O-N 2.86Å; K365-L368 PolarHBondContact O-N 2.95Å; K365-I369 WeakPolarHBondContact O-CG1 3.05Å; K365-I369 PolarHBondContact O-N 3.36Å; K365-V395 HydrophobicContact CG-CG1 4.29Å
366E92.5Very high93.4Very high82 Ų8260.2 Ų60.238%0.38329%0.287SS..Hα-helixtrans-66.5-43.6175.5-65.776.3-174.700110.8F358 L363 L368 I369 E370F358-E366 HydrophobicContact CB-CB 4.37Å; F358-E366 HydrophobicContact CD1-CB 4.04Å; F358-E366 HydrophobicContact CD2-CB 4.16Å; F358-E366 HydrophobicContact CE1-CB 4.33Å; F358-E366 HydrophobicContact CE2-CB 4.43Å; F358-E366 HydrophobicContact CG-CB 3.96Å; L363-E366 HydrophobicContact CB-CB 4.26Å; L363-E366 HydrophobicContact CB-CG 4.45Å; L363-E366 WeakPolarHBondContact CB-OE2 3.44Å; L363-E366 PolarHBondContact O-N 2.61Å; E366-L368 VanDerWaalsContact C-N 3.33Å; E366-L368 PolarHBondContact O-N 2.98Å; E366-I369 WeakPolarHBondContact O-CB 3.47Å; E366-I369 PolarHBondContact O-N 2.91Å; E366-E370 PolarHBondContact O-N 2.85Å
367G92.5Very high93.2Very high0 Ų061.1 Ų61.10%029%0.289CS..Hα-helixtrans-55.5-46.717300000112.2L363 Y364 I369 E370 Y371L363-G367 PolarHBondContact O-N 3.19Å; Y364-G367 PolarHBondContact O-N 2.9Å; G367-I369 VanDerWaalsContact C-N 3.3Å; G367-I369 PolarHBondContact O-N 3.15Å; G367-E370 WeakPolarHBondContact O-CB 3.43Å; G367-E370 PolarHBondContact O-N 3.46Å; G367-E370 VanDerWaalsContact O-N 3.08Å; G367-Y371 VanDerWaalsContact O-CD2 3.23Å; G367-Y371 WeakPolarHBondContact O-CD2 3.5Å; G367-Y371 PolarHBondContact O-N 2.76Å
368L93.3Very high93Very high14 Ų1464.1 Ų64.17%0.07330%0.303CS..Hα-helixtrans-60.4-37.6178.8-176.563.1000112.6Y364 K365 E366 E370 Y371 R372 I388 L391 E392Y364-L368 WeakPolarHBondContact O-CB 3.33Å; Y364-L368 PolarHBondContact O-N 2.77Å; K365-L368 PolarHBondContact O-N 2.95Å; E366-L368 VanDerWaalsContact C-N 3.33Å; E366-L368 PolarHBondContact O-N 2.98Å; L368-E370 VanDerWaalsContact C-N 3.32Å; L368-E370 PolarHBondContact O-N 3.11Å; L368-Y371 PolarHBondContact O-N 2.88Å; L368-R372 HydrophobicContact CD1-CG 4.49Å; L368-R372 WeakPolarHBondContact O-CB 3.25Å; L368-R372 VanDerWaalsContact O-CG 3.27Å; L368-R372 WeakPolarHBondContact O-CG 3.41Å; L368-R372 PolarHBondContact O-N 2.89Å; L368-I388 HydrophobicContact CD1-CG2 3.95Å; L368-L391 HydrophobicContact CD1-CB 4.38Å; L368-E392 HydrophobicContact CD1-CG 3.8Å; L368-E392 HydrophobicContact CD2-CG 4.07Å
369I94.6Very high92.8Very high106 Ų10666.7 Ų66.754%0.54432%0.323SS..Hα-helixtrans-61.5-42.6175.1-66.6166.3000110.5K365 E366 G367 R372 A373K365-I369 WeakPolarHBondContact O-CG1 3.05Å; K365-I369 PolarHBondContact O-N 3.36Å; E366-I369 WeakPolarHBondContact O-CB 3.47Å; E366-I369 PolarHBondContact O-N 2.91Å; G367-I369 VanDerWaalsContact C-N 3.3Å; G367-I369 PolarHBondContact O-N 3.15Å; I369-R372 PolarHBondContact O-N 2.98Å; I369-A373 WeakPolarHBondContact O-CB 3.43Å; I369-A373 PolarHBondContact O-N 3.41Å
370E93.9Very high92.7Very high19 Ų1972.7 Ų72.79%0.08935%0.354CS..Hα-helixtrans-67.2-44178.2-65-56.7136.100112.9H351 R354 F358 E366 G367 L368 R372 A373 A374H351-E370 IonicContact CE1-OE2 3.91Å; H351-E370 IonicContact CG-OE2 2.66Å; H351-E370 IonicContact ND1-OE2 3.22Å; H351-E370 PolarHBondContact ND1-OE2 2.77Å; R354-E370 HydrophobicContact CB-CG 4.46Å; R354-E370 HydrophobicContact CG-CG 4.4Å; R354-E370 VanDerWaalsContact CZ-CD 3.5Å; R354-E370 IonicContact CZ-OE1 2.99Å; R354-E370 VanDerWaalsContact CZ-OE1 3.28Å; R354-E370 IonicContact CZ-OE2 3.53Å; R354-E370 VanDerWaalsContact CZ-OE2 3.23Å; R354-E370 IonicContact NE-OE1 3.68Å; R354-E370 PolarHBondContact NE-OE1 2.8Å; R354-E370 IonicContact NE-OE2 3.36Å; R354-E370 PolarHBondContact NE-OE2 2.86Å; R354-E370 IonicContact NH2-OE1 3.12Å; R354-E370 PolarHBondContact NH2-OE1 3.49Å; R354-E370 IonicContact NH2-OE2 3.01Å; R354-E370 PolarHBondContact NH2-OE2 2.83Å; F358-E370 HydrophobicContact CD2-CG 3.87Å; F358-E370 HydrophobicContact CE2-CG 3.92Å; E366-E370 PolarHBondContact O-N 2.85Å; G367-E370 WeakPolarHBondContact O-CB 3.43Å; G367-E370 PolarHBondContact O-N 3.46Å; G367-E370 VanDerWaalsContact O-N 3.08Å; L368-E370 VanDerWaalsContact C-N 3.32Å; L368-E370 PolarHBondContact O-N 3.11Å; E370-R372 VanDerWaalsContact C-N 3.34Å; E370-R372 PolarHBondContact O-N 3.03Å; E370-A373 WeakPolarHBondContact O-CB 3.45Å; E370-A373 PolarHBondContact O-N 3.22Å; E370-A373 VanDerWaalsContact O-N 3.17Å; E370-A374 PolarHBondContact O-N 2.94Å
371Y94.5Very high92.5Very high20 Ų2070.6 Ų70.68%0.07834%0.343CS..Hα-helixtrans-63.7-40.2175.7-80.9-80.1000111.7I352 G367 L368 A373 A374 Q375 I384 D387 L391I352-Y371 HydrophobicContact CG2-CE1 4.18Å; G367-Y371 VanDerWaalsContact O-CD2 3.23Å; G367-Y371 WeakPolarHBondContact O-CD2 3.5Å; G367-Y371 PolarHBondContact O-N 2.76Å; L368-Y371 PolarHBondContact O-N 2.88Å; Y371-A373 VanDerWaalsContact C-N 3.32Å; Y371-A373 PolarHBondContact O-N 3.13Å; Y371-A374 WeakPolarHBondContact O-CB 3.12Å; Y371-A374 PolarHBondContact O-N 3.25Å; Y371-A374 VanDerWaalsContact O-N 3.16Å; Y371-Q375 PolarHBondContact O-N 2.7Å; Y371-I384 HydrophobicContact CD1-CG2 4.45Å; Y371-D387 HydrophobicContact CD1-CB 4.08Å; Y371-D387 HydrophobicContact CE1-CB 3.8Å; Y371-L391 HydrophobicContact CD2-CD1 3.35Å; Y371-L391 HydrophobicContact CE2-CD1 3.53Å; Y371-L391 HydrophobicContact CG-CD1 4.12Å
372R94.9Very high92.4Very high109 Ų10973.3 Ų73.341%0.41136%0.358SS..Hα-helixtrans-63.4-36.5172.6-74.6175.9177.5171.5-0.3112.2L368 I369 E370 Q375 K376 I388 E392L368-R372 HydrophobicContact CD1-CG 4.49Å; L368-R372 WeakPolarHBondContact O-CB 3.25Å; L368-R372 VanDerWaalsContact O-CG 3.27Å; L368-R372 WeakPolarHBondContact O-CG 3.41Å; L368-R372 PolarHBondContact O-N 2.89Å; I369-R372 PolarHBondContact O-N 2.98Å; E370-R372 VanDerWaalsContact C-N 3.34Å; E370-R372 PolarHBondContact O-N 3.03Å; R372-Q375 PolarHBondContact O-N 3.41Å; R372-K376 WeakPolarHBondContact O-CG 3.49Å; R372-K376 PolarHBondContact O-N 2.85Å; R372-I388 HydrophobicContact CG-CD1 4.45Å; R372-E392 IonicContact CZ-OE1 3.32Å; R372-E392 IonicContact NE-OE1 2.66Å; R372-E392 IonicContact NH2-OE1 2.66Å; R372-E392 PolarHBondContact NH2-OE1 2.76Å
373A93.9Very high92.4Very high28 Ų2870.1 Ų70.123%0.23135%0.348CS..Hα-helixtrans-64.7-40.3172.800000111.5I369 E370 Y371 K376 L377I369-A373 WeakPolarHBondContact O-CB 3.43Å; I369-A373 PolarHBondContact O-N 3.41Å; E370-A373 WeakPolarHBondContact O-CB 3.45Å; E370-A373 PolarHBondContact O-N 3.22Å; E370-A373 VanDerWaalsContact O-N 3.17Å; Y371-A373 VanDerWaalsContact C-N 3.32Å; Y371-A373 PolarHBondContact O-N 3.13Å; A373-K376 PolarHBondContact O-N 3.18Å; A373-L377 WeakPolarHBondContact O-CG 3.31Å; A373-L377 PolarHBondContact O-N 3.4Å
374A93.9Very high92.4Very high0 Ų066.6 Ų66.60%033%0.33CS..Hα-helixtrans-64-4317400000112.4H351 I352 E370 Y371 K376 L377 Q378 I384H351-A374 HydrophobicContact CB-CB 3.91Å; I352-A374 HydrophobicContact CG1-CB 3.95Å; E370-A374 PolarHBondContact O-N 2.94Å; Y371-A374 WeakPolarHBondContact O-CB 3.12Å; Y371-A374 PolarHBondContact O-N 3.25Å; Y371-A374 VanDerWaalsContact O-N 3.16Å; A374-K376 VanDerWaalsContact C-N 3.33Å; A374-K376 PolarHBondContact O-N 2.8Å; A374-L377 WeakPolarHBondContact O-CB 3.42Å; A374-L377 PolarHBondContact O-N 3.33Å; A374-Q378 PolarHBondContact O-N 3.04Å; A374-I384 HydrophobicContact CB-CD1 4.18Å; A374-I384 HydrophobicContact CB-CG2 4.36Å
375Q94.2Very high92.5Very high67 Ų6769.5 Ų69.531%0.31334%0.341SS..Hα-helixtrans-61.7-38.9176.5-174.5-176.552.500112.2Y371 R372 L377 Q378 P379 I384 I388Y371-Q375 PolarHBondContact O-N 2.7Å; R372-Q375 PolarHBondContact O-N 3.41Å; Q375-L377 PolarHBondContact O-N 2.86Å; Q375-Q378 CarbonylContact O-C 3.56Å; Q375-Q378 PolarHBondContact O-N 3Å; Q375-P379 WeakPolarHBondContact O-CA 3.4Å; Q375-P379 VanDerWaalsContact O-N 3.15Å; Q375-I384 HydrophobicContact CB-CG2 4.04Å; Q375-I388 HydrophobicContact CB-CD1 3.8Å; Q375-I388 HydrophobicContact CG-CD1 4.26Å
376K93.7Very high92.6Very high179 Ų17965.5 Ų65.578%0.77833%0.329SS*.Hα-helixtrans-61.4-30173.9-74.9178.2-178.6-178.40112.9R372 A373 A374R372-K376 WeakPolarHBondContact O-CG 3.49Å; R372-K376 PolarHBondContact O-N 2.85Å; A373-K376 PolarHBondContact O-N 3.18Å; A374-K376 VanDerWaalsContact C-N 3.33Å; A374-K376 PolarHBondContact O-N 2.8Å
377L91.1Very high92.5Very high40 Ų4064.4 Ų64.421%0.20933%0.326CS..Hα-helixtrans-82.6-35.8178.5-65.8176.6000112.6L344 R347 V348 A373 A374 Q375L344-L377 HydrophobicContact CD1-CB 4.08Å; L344-L377 HydrophobicContact CD1-CD2 4.36Å; R347-L377 HydrophobicContact CB-CD1 3.99Å; V348-L377 HydrophobicContact CG2-CB 3.65Å; V348-L377 HydrophobicContact CG2-CD1 4.11Å; A373-L377 WeakPolarHBondContact O-CG 3.31Å; A373-L377 PolarHBondContact O-N 3.4Å; A374-L377 WeakPolarHBondContact O-CB 3.42Å; A374-L377 PolarHBondContact O-N 3.33Å; Q375-L377 PolarHBondContact O-N 2.86Å
378Q89.9Confident92.6Very high62 Ų6264.9 Ų64.929%0.2933%0.328SS..  trans-13585.9178.1-167.3179.9-37.600110.2V348 A374 Q375 D380 D381V348-Q378 HydrophobicContact CG2-CB 4.15Å; A374-Q378 PolarHBondContact O-N 3.04Å; Q375-Q378 CarbonylContact O-C 3.56Å; Q375-Q378 PolarHBondContact O-N 3Å; Q378-D380 PolarHBondContact O-N 3.43Å; Q378-D381 HydrophobicContact CG-CB 4.1Å; Q378-D381 PolarHBondContact NE2-OD2 2.67Å
379P90.2Very high92.6Very high94 Ų9468.3 Ų68.361%0.6134%0.344SS*.THydrogen-bonded Turntrans-66.1-25.2-177.8-23.735.3000114.2Q375 D381Q375-P379 WeakPolarHBondContact O-CA 3.4Å; Q375-P379 VanDerWaalsContact O-N 3.15Å; P379-D381 VanDerWaalsContact C-N 3.31Å; P379-D381 PolarHBondContact O-N 3.15Å
380D90.4Very high92.5Very high147 Ų14766.8 Ų66.879%0.78634%0.337SS*.THydrogen-bonded Turntrans-83.9-0.9-173.9-55.1-31.7000113.7Q378 D382Q378-D380 PolarHBondContact O-N 3.43Å; D380-D382 PolarHBondContact O-N 2.91Å
381D89.2Confident92.3Very high38 Ų3866.8 Ų66.820%0.20334%0.337CS..  trans-84.9105.8-177.9-155.9-33000112.1Q378 P379 T383 I384 R385Q378-D381 HydrophobicContact CG-CB 4.1Å; Q378-D381 PolarHBondContact NE2-OD2 2.67Å; P379-D381 VanDerWaalsContact C-N 3.31Å; P379-D381 PolarHBondContact O-N 3.15Å; D381-T383 PolarHBondContact O-N 2.82Å; D381-T383 WeakPolarHBondContact OD1-CB 3.44Å; D381-T383 PolarHBondContact OD1-N 2.78Å; D381-T383 VanDerWaalsContact OD1-N 3.08Å; D381-T383 PolarHBondContact OD1-OG1 2.83Å; D381-I384 HydrophobicContact CB-CB 4.35Å; D381-I384 HydrophobicContact CB-CD1 3.76Å; D381-I384 HydrophobicContact CB-CG1 3.92Å; D381-I384 PolarHBondContact O-N 2.8Å; D381-R385 PolarHBondContact O-N 2.82Å
382D91.5Very high92.2Very high98 Ų9868.9 Ų68.952%0.52435%0.348SS..Hα-helixtrans-60.5-32177.7-77.3-22.3000113D380 R385 T386D380-D382 PolarHBondContact O-N 2.91Å; D382-R385 PolarHBondContact O-N 2.86Å; D382-R385 IonicContact OD1-CZ 3.49Å; D382-R385 IonicContact OD1-NE 3.61Å; D382-R385 IonicContact OD1-NH2 2.66Å; D382-R385 PolarHBondContact OD1-NH2 2.76Å; D382-T386 WeakPolarHBondContact O-CG2 3.23Å; D382-T386 PolarHBondContact O-N 3.19Å; D382-T386 PolarHBondContact O-OG1 2.94Å
383T91.5Very high92Very high83 Ų8369.3 Ų69.351%0.50935%0.352SS..Hα-helixtrans-66.9-42.6-177.563.30000111.9D381 R385 T386 D387D381-T383 PolarHBondContact O-N 2.82Å; D381-T383 WeakPolarHBondContact OD1-CB 3.44Å; D381-T383 PolarHBondContact OD1-N 2.78Å; D381-T383 VanDerWaalsContact OD1-N 3.08Å; D381-T383 PolarHBondContact OD1-OG1 2.83Å; T383-R385 VanDerWaalsContact C-N 3.32Å; T383-R385 PolarHBondContact O-N 2.9Å; T383-T386 WeakPolarHBondContact CA-OG1 3.45Å; T383-T386 PolarHBondContact O-N 3.45Å; T383-T386 PolarHBondContact O-OG1 3.34Å; T383-D387 PolarHBondContact O-N 2.88Å
384I91.5Very high91.7Very high1 Ų173.8 Ų73.81%0.00537%0.367CS..Hα-helixtrans-64.9-40.9177-56.7177.2000109.8V348 I352 Y371 A374 Q375 D381 D387 I388V348-I384 HydrophobicContact CG1-CD1 3.97Å; I352-I384 HydrophobicContact CD1-CD1 3.84Å; I352-I384 HydrophobicContact CD1-CG1 3.92Å; I352-I384 HydrophobicContact CG1-CD1 4.5Å; Y371-I384 HydrophobicContact CD1-CG2 4.45Å; A374-I384 HydrophobicContact CB-CD1 4.18Å; A374-I384 HydrophobicContact CB-CG2 4.36Å; Q375-I384 HydrophobicContact CB-CG2 4.04Å; D381-I384 HydrophobicContact CB-CB 4.35Å; D381-I384 HydrophobicContact CB-CD1 3.76Å; D381-I384 HydrophobicContact CB-CG1 3.92Å; D381-I384 PolarHBondContact O-N 2.8Å; I384-D387 PolarHBondContact O-N 3.23Å; I384-I388 HydrophobicContact CG2-CD1 3.96Å; I384-I388 VanDerWaalsContact O-CG1 3.29Å; I384-I388 WeakPolarHBondContact O-CG1 3.35Å; I384-I388 PolarHBondContact O-N 2.78Å
385R93.1Very high91.4Very high123 Ų12375 Ų7546%0.46437%0.374SS..Hα-helixtrans-61.5-46.6176.8178.6170.558.3147.2-1.8111.6D381 D382 T383 D387 I388 E389D381-R385 PolarHBondContact O-N 2.82Å; D382-R385 PolarHBondContact O-N 2.86Å; D382-R385 IonicContact OD1-CZ 3.49Å; D382-R385 IonicContact OD1-NE 3.61Å; D382-R385 IonicContact OD1-NH2 2.66Å; D382-R385 PolarHBondContact OD1-NH2 2.76Å; T383-R385 VanDerWaalsContact C-N 3.32Å; T383-R385 PolarHBondContact O-N 2.9Å; R385-D387 VanDerWaalsContact C-N 3.33Å; R385-D387 PolarHBondContact O-N 2.75Å; R385-I388 PolarHBondContact O-N 2.79Å; R385-E389 WeakPolarHBondContact O-CG 3.23Å; R385-E389 PolarHBondContact O-N 2.83Å
386T93.6Very high90.9Very high66 Ų6678 Ų7841%0.40539%0.393SS..Hα-helixtrans-63.4-38.117751.30000112.6D382 T383 E389 N390D382-T386 WeakPolarHBondContact O-CG2 3.23Å; D382-T386 PolarHBondContact O-N 3.19Å; D382-T386 PolarHBondContact O-OG1 2.94Å; T383-T386 WeakPolarHBondContact CA-OG1 3.45Å; T383-T386 PolarHBondContact O-N 3.45Å; T383-T386 PolarHBondContact O-OG1 3.34Å; T386-E389 PolarHBondContact O-N 2.78Å; T386-N390 WeakPolarHBondContact O-CB 3.47Å; T386-N390 PolarHBondContact O-N 2.71Å; T386-N390 PolarHBondContact O-ND2 2.87Å; T386-N390 VanDerWaalsContact O-ND2 3.15Å
387D91.8Very high90Very high59 Ų5976.9 Ų76.932%0.31639%0.39SS..Hα-helixtrans-65.3-41.7177.2-75.1-11.7000111.6Y371 T383 I384 R385 N390 L391Y371-D387 HydrophobicContact CD1-CB 4.08Å; Y371-D387 HydrophobicContact CE1-CB 3.8Å; T383-D387 PolarHBondContact O-N 2.88Å; I384-D387 PolarHBondContact O-N 3.23Å; R385-D387 VanDerWaalsContact C-N 3.33Å; R385-D387 PolarHBondContact O-N 2.75Å; D387-N390 PolarHBondContact O-N 3.49Å; D387-L391 WeakPolarHBondContact O-CB 3.35Å; D387-L391 VanDerWaalsContact O-CG 3.31Å; D387-L391 WeakPolarHBondContact O-CG 3.46Å; D387-L391 PolarHBondContact O-N 2.78Å
388I93.9Very high88.3Confident9 Ų984 Ų845%0.04642%0.422CS..Hα-helixtrans-62.4-48.9174.9-69.3168.1000110.7L368 R372 Q375 I384 R385 N390 L391 E392L368-I388 HydrophobicContact CD1-CG2 3.95Å; R372-I388 HydrophobicContact CG-CD1 4.45Å; Q375-I388 HydrophobicContact CB-CD1 3.8Å; Q375-I388 HydrophobicContact CG-CD1 4.26Å; I384-I388 HydrophobicContact CG2-CD1 3.96Å; I384-I388 VanDerWaalsContact O-CG1 3.29Å; I384-I388 WeakPolarHBondContact O-CG1 3.35Å; I384-I388 PolarHBondContact O-N 2.78Å; R385-I388 PolarHBondContact O-N 2.79Å; I388-N390 VanDerWaalsContact C-N 3.28Å; I388-N390 PolarHBondContact O-N 2.62Å; I388-L391 PolarHBondContact O-N 3.44Å; I388-E392 HydrophobicContact CG2-CG 4.2Å; I388-E392 WeakPolarHBondContact O-CB 3.13Å; I388-E392 WeakPolarHBondContact O-CG 3.14Å; I388-E392 PolarHBondContact O-N 2.78Å
389E93.6Very high88.2Confident86 Ų8685.1 Ų85.140%0.40243%0.429SS..Hα-helixtrans-60-38.9179.2-73.6176.4-165.900112.1R385 T386 K393R385-E389 WeakPolarHBondContact O-CG 3.23Å; R385-E389 PolarHBondContact O-N 2.83Å; T386-E389 PolarHBondContact O-N 2.78Å; E389-K393 VanDerWaalsContact O-CG 3.27Å; E389-K393 WeakPolarHBondContact O-CG 3.44Å; E389-K393 PolarHBondContact O-N 2.87Å; E389-K393 VanDerWaalsContact O-N 3.11Å
390N91.7Very high88.1Confident74 Ų7484.6 Ų84.640%0.39642%0.419SS..Hα-helixtrans-67-46.6175.5-70.7-27000111.1T386 D387 I388 E392 K393 F394T386-N390 WeakPolarHBondContact O-CB 3.47Å; T386-N390 PolarHBondContact O-N 2.71Å; T386-N390 PolarHBondContact O-ND2 2.87Å; T386-N390 VanDerWaalsContact O-ND2 3.15Å; D387-N390 PolarHBondContact O-N 3.49Å; I388-N390 VanDerWaalsContact C-N 3.28Å; I388-N390 PolarHBondContact O-N 2.62Å; N390-E392 PolarHBondContact O-N 2.96Å; N390-K393 WeakPolarHBondContact O-CB 3.36Å; N390-K393 PolarHBondContact O-N 3.2Å; N390-F394 WeakPolarHBondContact O-CD2 3.48Å; N390-F394 PolarHBondContact O-N 2.84Å; N390-F394 VanDerWaalsContact O-N 3.08Å
391L91Very high88Confident20 Ų2081.2 Ų81.211%0.10540%0.399CS..Hα-helixtrans-63.4-39.3177.6-74.4171.5000112.5C359 Y364 L368 Y371 D387 I388 K393 F394 V395C359-L391 HydrophobicContact CB-CD2 4.42Å; C359-L391 VanDerWaalsContact SG-CD2 3.51Å; Y364-L391 HydrophobicContact CD1-CD2 4.21Å; L368-L391 HydrophobicContact CD1-CB 4.38Å; Y371-L391 HydrophobicContact CD2-CD1 3.35Å; Y371-L391 HydrophobicContact CE2-CD1 3.53Å; Y371-L391 HydrophobicContact CG-CD1 4.12Å; D387-L391 WeakPolarHBondContact O-CB 3.35Å; D387-L391 VanDerWaalsContact O-CG 3.31Å; D387-L391 WeakPolarHBondContact O-CG 3.46Å; D387-L391 PolarHBondContact O-N 2.78Å; I388-L391 PolarHBondContact O-N 3.44Å; L391-K393 VanDerWaalsContact C-N 3.33Å; L391-K393 PolarHBondContact O-N 2.76Å; L391-F394 PolarHBondContact O-N 3.41Å; L391-V395 WeakPolarHBondContact O-CB 3.27Å; L391-V395 VanDerWaalsContact O-CG2 3.29Å; L391-V395 WeakPolarHBondContact O-CG2 3.45Å; L391-V395 PolarHBondContact O-N 2.9Å
392E92.3Very high87.9Confident64 Ų6483.7 Ų83.730%0.29941%0.411SS..Hα-helixtrans-64.8-37.5175.6-73.5-177.8166.800111.7L368 R372 I388 N390 N396L368-E392 HydrophobicContact CD1-CG 3.8Å; L368-E392 HydrophobicContact CD2-CG 4.07Å; R372-E392 IonicContact CZ-OE1 3.32Å; R372-E392 IonicContact NE-OE1 2.66Å; R372-E392 IonicContact NH2-OE1 2.66Å; R372-E392 PolarHBondContact NH2-OE1 2.76Å; I388-E392 HydrophobicContact CG2-CG 4.2Å; I388-E392 WeakPolarHBondContact O-CB 3.13Å; I388-E392 WeakPolarHBondContact O-CG 3.14Å; I388-E392 PolarHBondContact O-N 2.78Å; N390-E392 PolarHBondContact O-N 2.96Å; E392-N396 VanDerWaalsContact O-CB 3.28Å; E392-N396 WeakPolarHBondContact O-CB 3.43Å; E392-N396 PolarHBondContact O-N 2.64Å; E392-N396 PolarHBondContact O-ND2 2.99Å
393K90.8Very high87.7Confident117 Ų11782.8 Ų82.851%0.50940%0.403SS..Hα-helixtrans-62-42.7172.3-72.7166.9-171.1165.50111.8E389 N390 L391 Q397E389-K393 VanDerWaalsContact O-CG 3.27Å; E389-K393 WeakPolarHBondContact O-CG 3.44Å; E389-K393 PolarHBondContact O-N 2.87Å; E389-K393 VanDerWaalsContact O-N 3.11Å; N390-K393 WeakPolarHBondContact O-CB 3.36Å; N390-K393 PolarHBondContact O-N 3.2Å; L391-K393 VanDerWaalsContact C-N 3.33Å; L391-K393 PolarHBondContact O-N 2.76Å; K393-Q397 WeakPolarHBondContact O-CG 3.42Å; K393-Q397 PolarHBondContact O-N 2.77Å
394F87.4Confident87.5Confident122 Ų12282.8 Ų82.854%0.53540%0.396SS..Hα-helixtrans-68.3-46.2178.1-78.2-69.5000112.5N390 L391 N396 Q397 E398N390-F394 WeakPolarHBondContact O-CD2 3.48Å; N390-F394 PolarHBondContact O-N 2.84Å; N390-F394 VanDerWaalsContact O-N 3.08Å; L391-F394 PolarHBondContact O-N 3.41Å; F394-N396 VanDerWaalsContact C-N 3.26Å; F394-N396 PolarHBondContact O-N 3.44Å; F394-Q397 PolarHBondContact O-N 3.05Å; F394-Q397 VanDerWaalsContact O-N 3.07Å; F394-E398 PolarHBondContact O-N 3.36Å
395V87.1Confident87.2Confident25 Ų2588.6 Ų88.615%0.15242%0.424CS..Hα-helixtrans-66.3-27.9-179.71740000112.5K365 L391K365-V395 HydrophobicContact CG-CG1 4.29Å; L391-V395 WeakPolarHBondContact O-CB 3.27Å; L391-V395 VanDerWaalsContact O-CG2 3.29Å; L391-V395 WeakPolarHBondContact O-CG2 3.45Å; L391-V395 PolarHBondContact O-N 2.9Å
396N83.3Confident86.7Confident132 Ų13286 Ų8671%0.70642%0.421SS*.THydrogen-bonded Turntrans-83.9-11.4175.1-68.8-27.7000113.4E392 F394E392-N396 VanDerWaalsContact O-CB 3.28Å; E392-N396 WeakPolarHBondContact O-CB 3.43Å; E392-N396 PolarHBondContact O-N 2.64Å; E392-N396 PolarHBondContact O-ND2 2.99Å; F394-N396 VanDerWaalsContact C-N 3.26Å; F394-N396 PolarHBondContact O-N 3.44Å
397Q75.9Confident86.1Confident155 Ų15587.7 Ų87.772%0.72442%0.423SS*.THydrogen-bonded Turntrans-91.8-25.1176.3-77.91758.900112.8K393 F394K393-Q397 WeakPolarHBondContact O-CG 3.42Å; K393-Q397 PolarHBondContact O-N 2.77Å; F394-Q397 PolarHBondContact O-N 3.05Å; F394-Q397 VanDerWaalsContact O-N 3.07Å
398E55Low85.6Confident189 Ų18990.3 Ų90.388%0.88343%0.432SS*.  trans-80.90166.1-69.9-171.4161.400111.6F394F394-E398 PolarHBondContact O-N 3.36Å

Retrieved 398 of 398 residues in 568.1 ms (Link to these results)

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