A0A3Q0KLD4_SCHMA Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession A0A3Q0KLD4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 186 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
1M67.6Low93.1Very high228 Ų22861.5 Ų61.5100%1.12326%0.262SS*.  0127.80-165.5175.5-164.800108.3
2R86.3Confident93.1Very high104 Ų10457.4 Ų57.439%0.39225%0.248SC..  trans-68.9136177.8-68.1178.7177.5177.2-9.4109.3D44 H51R2-D44 IonicContact CZ-OD2 2.85Å; R2-D44 IonicContact NH1-OD2 3.38Å; R2-D44 PolarHBondContact NH1-OD2 2.95Å; R2-H51 HydrophobicContact CG-CB 4.21Å; R2-H51 PolarHBondContact NH2-ND1 3.43Å
3R92.9Very high93Very high114 Ų11456.5 Ų56.543%0.4326%0.264SS..EExtended strand (participates in β ladder)trans-67.4142.2171.6-76.2-173.4174.3-172.9-4.3109.4Y5 T53 E176R3-Y5 WeakPolarHBondContact CD-OH 3.48Å; R3-T53 PolarHBondContact O-N 3.1Å; R3-E176 IonicContact CZ-OE2 2.77Å; R3-E176 IonicContact NH1-OE2 3.06Å; R3-E176 PolarHBondContact NH1-OE2 3.29Å
4K96.3Very high93Very high98 Ų9854.4 Ų54.443%0.42627%0.266SS..EExtended strand (participates in β ladder)trans-105.4136.2179.1-59.6-178.5-179.9-176.20109.4T53K4-T53 CarbonylContact C-O 3.43Å; K4-T53 VanDerWaalsContact CA-O 3.26Å; K4-T53 WeakPolarHBondContact CA-O 3.39Å; K4-T53 HydrophobicContact CG-CG2 4.19Å
5Y97.6Very high93.2Very high3 Ų350.8 Ų50.81%0.01225%0.248CC..EExtended strand (participates in β ladder)trans-124.3143.2174.2-59-55000110.4R3 H52 T53 E55 V169 L172 L173 E176R3-Y5 WeakPolarHBondContact CD-OH 3.48Å; Y5-H52 HydrophobicContact CD2-CB 4.1Å; Y5-H52 HydrophobicContact CE2-CB 3.98Å; Y5-H52 AromaticContact CE2-CE1 3.86Å; Y5-H52 AromaticContact CE2-CG 3.6Å; Y5-H52 AromaticContact CE2-ND1 3.35Å; Y5-H52 VanDerWaalsContact CE2-ND1 3.35Å; Y5-H52 WeakPolarHBondContact CE2-ND1 3.23Å; Y5-H52 AromaticContact CZ-ND1 3.93Å; Y5-T53 PolarHBondContact N-O 3.07Å; Y5-E55 PolarHBondContact O-N 2.75Å; Y5-V169 HydrophobicContact CD2-CG1 3.59Å; Y5-V169 HydrophobicContact CE2-CG1 3.84Å; Y5-L172 HydrophobicContact CD1-CD2 3.38Å; Y5-L172 HydrophobicContact CD1-CG 4.42Å; Y5-L172 HydrophobicContact CE1-CD2 4.02Å; Y5-L172 HydrophobicContact CG-CD2 3.74Å; Y5-L173 HydrophobicContact CE2-CD2 4.04Å; Y5-L173 HydrophobicContact CE2-CG 4.5Å; Y5-L173 WeakPolarHBondContact OH-CD2 3.11Å; Y5-E176 WeakPolarHBondContact CE1-OE1 3.26Å
6R98.2Very high93.5Very high123 Ų12348.5 Ų48.546%0.46424%0.242SC..EExtended strand (participates in β ladder)trans-105.5112.6177.9-65.9175.5-177.6165.81110.3E55 Q77 C78R6-E55 CarbonylContact C-O 3.36Å; R6-E55 WeakPolarHBondContact CA-O 3.29Å; R6-E55 HydrophobicContact CG-CB 4.26Å; R6-E55 IonicContact NE-OE2 3.94Å; R6-E55 PolarHBondContact NE-OE2 2.78Å; R6-Q77 HydrophobicContact CB-CG 4.49Å; R6-Q77 PolarHBondContact O-N 3.39Å; R6-C78 PolarHBondContact O-N 3.25Å
7L98.6Very high93.7Very high1 Ų146.2 Ų46.21%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-103136175.1-178.1149.7000109.7V9 L54 E55 I56 L57 C78 L80 F165 A168L7-V9 HydrophobicContact CD2-CG2 3.52Å; L7-L54 HydrophobicContact CB-CD1 3.76Å; L7-L54 HydrophobicContact CB-CG 4.31Å; L7-L54 HydrophobicContact CD1-CD2 4.27Å; L7-E55 PolarHBondContact N-O 2.86Å; L7-I56 HydrophobicContact CD2-CG2 3.93Å; L7-I56 WeakPolarHBondContact O-CA 3.41Å; L7-L57 PolarHBondContact O-N 2.81Å; L7-C78 WeakPolarHBondContact CA-O 3.38Å; L7-L80 HydrophobicContact CD1-CD2 4.48Å; L7-L80 HydrophobicContact CD1-CG 4.13Å; L7-L80 HydrophobicContact CD2-CD1 4.3Å; L7-L80 HydrophobicContact CD2-CG 4.08Å; L7-L80 HydrophobicContact CG-CG 4.46Å; L7-F165 HydrophobicContact CD1-CD1 4.03Å; L7-F165 HydrophobicContact CD2-CD1 4.05Å; L7-F165 HydrophobicContact CD2-CE1 3.93Å; L7-A168 HydrophobicContact CD1-CB 3.53Å
8V97.9Very high93.8Very high3 Ų345.2 Ų45.22%0.01823%0.228CC..EExtended strand (participates in β ladder)trans-114.6129.8173.9-173.50000109.2L10 L57 T59 C78 F79 L80V8-L10 HydrophobicContact CG1-CD2 3.84Å; V8-L10 HydrophobicContact CG1-CG 3.97Å; V8-L57 HydrophobicContact CG1-CD2 4.25Å; V8-L57 HydrophobicContact CG1-CG 4.41Å; V8-L57 HydrophobicContact CG2-CB 4.38Å; V8-L57 HydrophobicContact CG2-CD2 4.34Å; V8-T59 HydrophobicContact CG1-CG2 3.91Å; V8-C78 PolarHBondContact N-O 3.01Å; V8-F79 HydrophobicContact CB-CD1 3.83Å; V8-F79 HydrophobicContact CB-CE1 3.91Å; V8-F79 HydrophobicContact CG2-CD1 4.45Å; V8-F79 HydrophobicContact CG2-CE1 4.07Å; V8-F79 WeakPolarHBondContact O-CA 3.34Å; V8-L80 PolarHBondContact O-N 3.49Å
9V97.8Very high94Very high0 Ų044.2 Ų44.20%023%0.228CC..EExtended strand (participates in β ladder)trans-98114.7177-1690000108.9L7 K17 I56 L57 T59 L80 V82 F165L7-V9 HydrophobicContact CD2-CG2 3.52Å; V9-K17 HydrophobicContact CB-CB 4.5Å; V9-K17 HydrophobicContact CG1-CB 3.65Å; V9-K17 HydrophobicContact CG1-CD 4.11Å; V9-K17 HydrophobicContact CG1-CG 3.85Å; V9-I56 HydrophobicContact CG2-CG2 3.86Å; V9-L57 PolarHBondContact N-O 3.44Å; V9-T59 PolarHBondContact O-OG1 2.91Å; V9-L80 HydrophobicContact CG1-CB 4.24Å; V9-L80 HydrophobicContact CG2-CD1 4.4Å; V9-V82 HydrophobicContact CG1-CG2 3.73Å; V9-F165 HydrophobicContact CG2-CE1 4.07Å; V9-F165 HydrophobicContact CG2-CZ 4.38Å
10L95.3Very high94.2Very high2 Ų242 Ų421%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-116.7155-178-62.3173000110.6V8 T59 I73 F79 L80 V82 M97 I101V8-L10 HydrophobicContact CG1-CD2 3.84Å; V8-L10 HydrophobicContact CG1-CG 3.97Å; L10-T59 HydrophobicContact CD2-CG2 4.22Å; L10-I73 HydrophobicContact CD1-CD1 4.48Å; L10-I73 HydrophobicContact CD1-CG1 4.24Å; L10-F79 HydrophobicContact CD1-CD1 3.81Å; L10-F79 HydrophobicContact CD1-CE1 4.37Å; L10-L80 PolarHBondContact N-O 2.95Å; L10-V82 PolarHBondContact O-N 3.14Å; L10-M97 HydrophobicContact CB-SD 4.45Å; L10-I101 HydrophobicContact CD1-CD1 3.76Å; L10-I101 HydrophobicContact CD1-CG1 3.95Å
11G95.5Very high94.4Very high0 Ų040 Ų400%021%0.206CC..EExtended strand (participates in β ladder)trans152.2160.2-176.300000111.9K17 V82 M97G11-K17 PolarHBondContact O-NZ 3.48Å; G11-V82 VanDerWaalsContact CA-O 3.23Å; G11-V82 WeakPolarHBondContact CA-O 3.36Å; G11-M97 WeakPolarHBondContact CA-SD 3.26Å; G11-M97 PolarHBondContact N-SD 3.44Å; G11-M97 VanDerWaalsContact N-SD 3.44Å
12S93.6Very high95.8Very high13 Ų1330.6 Ų30.69%0.09116%0.161CC..  trans-62.4171.6-177.8-57.30000112V15 K17 D93S12-V15 WeakPolarHBondContact O-CG2 3.27Å; S12-K17 PolarHBondContact O-NZ 2.9Å; S12-D93 VanDerWaalsContact OG-CB 3.28Å; S12-D93 WeakPolarHBondContact OG-CB 3.47Å; S12-D93 PolarHBondContact OG-OD2 3.37Å
13G91.7Very high96.4Very high45 Ų4526.8 Ų26.846%0.46415%0.147SC..THydrogen-bonded Turntrans-57.2141.9172.900000111.4V15G13-V15 PolarHBondContact O-N 3.22Å; G13-V15 VanDerWaalsContact O-N 3.09Å
14G92.8Very high96.7Very high28 Ų2821.5 Ų21.529%0.28913%0.128SC..THydrogen-bonded Turntrans69.64172.900000117.1G16 Y33 K123G14-G16 PolarHBondContact O-N 2.85Å; G14-Y33 PolarHBondContact N-OH 3Å; G14-K123 WeakPolarHBondContact O-CE 3.29Å; G14-K123 PolarHBondContact O-NZ 3.38Å
15V96.2Very high96.8Very high0 Ų019 Ų190%012%0.12CC..SBendtrans-70-15.8177.4-57.30000113.6S12 G13 K17 V82 N84 T90 N122S12-V15 WeakPolarHBondContact O-CG2 3.27Å; G13-V15 PolarHBondContact O-N 3.22Å; G13-V15 VanDerWaalsContact O-N 3.09Å; V15-K17 HydrophobicContact CG2-CD 4.29Å; V15-K17 HydrophobicContact CG2-CG 3.58Å; V15-V82 HydrophobicContact CB-CG1 4.26Å; V15-V82 HydrophobicContact CG2-CB 3.96Å; V15-V82 HydrophobicContact CG2-CG1 3.83Å; V15-N84 HydrophobicContact CB-CB 4.4Å; V15-N84 HydrophobicContact CG1-CB 4.29Å; V15-T90 HydrophobicContact CG1-CG2 3.61Å; V15-N122 PolarHBondContact O-ND2 3.45Å
16G97Very high96.7Very high14 Ų1421.7 Ų21.714%0.14414%0.14CC..SBendtrans98.427.9176.700000115.2G14 A19 L20G14-G16 PolarHBondContact O-N 2.85Å; G16-A19 PolarHBondContact O-N 3.41Å; G16-L20 WeakPolarHBondContact O-CG 3.5Å; G16-L20 PolarHBondContact O-N 2.7Å
17K96.9Very high96.6Very high10 Ų1018 Ų184%0.04314%0.14CC..Hα-helixtrans-53.2-54.3174.6-57-172.1-62-74.80112.2V9 G11 S12 V15 A19 L20 T21 D58 T59 A60 V82V9-K17 HydrophobicContact CB-CB 4.5Å; V9-K17 HydrophobicContact CG1-CB 3.65Å; V9-K17 HydrophobicContact CG1-CD 4.11Å; V9-K17 HydrophobicContact CG1-CG 3.85Å; G11-K17 PolarHBondContact O-NZ 3.48Å; S12-K17 PolarHBondContact O-NZ 2.9Å; V15-K17 HydrophobicContact CG2-CD 4.29Å; V15-K17 HydrophobicContact CG2-CG 3.58Å; K17-A19 VanDerWaalsContact C-N 3.35Å; K17-A19 PolarHBondContact O-N 3.04Å; K17-L20 WeakPolarHBondContact O-CB 3.37Å; K17-L20 PolarHBondContact O-N 3.3Å; K17-T21 PolarHBondContact O-N 3.04Å; K17-T21 PolarHBondContact O-OG1 2.65Å; K17-T21 VanDerWaalsContact O-OG1 3.06Å; K17-D58 VanDerWaalsContact CB-OD1 3.32Å; K17-D58 WeakPolarHBondContact CB-OD1 3.25Å; K17-T59 WeakPolarHBondContact CE-O 3.5Å; K17-A60 WeakPolarHBondContact CE-O 3.48Å; K17-A60 PolarHBondContact NZ-O 2.79Å; K17-V82 HydrophobicContact CG-CB 4.31Å; K17-V82 HydrophobicContact CG-CG2 4.4Å
18S96.3Very high96.4Very high28 Ų2824.8 Ų24.820%0.19617%0.169CC..Hα-helixtrans-65-38179.1-40.30000112.5L20 T21 V22 T36 D58S18-L20 PolarHBondContact O-N 3.41Å; S18-T21 PolarHBondContact O-N 3.39Å; S18-V22 WeakPolarHBondContact O-CB 3.43Å; S18-V22 VanDerWaalsContact O-CG2 3.28Å; S18-V22 WeakPolarHBondContact O-CG2 3.17Å; S18-V22 PolarHBondContact O-N 3.24Å; S18-T36 PolarHBondContact OG-OG1 3.47Å; S18-D58 WeakPolarHBondContact CA-OD2 3.45Å; S18-D58 WeakPolarHBondContact CB-OD2 3.49Å; S18-D58 PolarHBondContact OG-OD2 2.88Å
19A97.5Very high96.1Very high26 Ų2628.1 Ų28.122%0.21518%0.184CC..Hα-helixtrans-62.4-44.1175.400000111.4G16 K17 K23 F29 A155G16-A19 PolarHBondContact O-N 3.41Å; K17-A19 VanDerWaalsContact C-N 3.35Å; K17-A19 PolarHBondContact O-N 3.04Å; A19-K23 WeakPolarHBondContact O-CB 3.48Å; A19-K23 PolarHBondContact O-N 3.14Å; A19-F29 HydrophobicContact CB-CD2 4.36Å; A19-F29 HydrophobicContact CB-CE2 4.02Å; A19-A155 HydrophobicContact CB-CB 3.7Å
20L98.7Very high95.7Very high0 Ų032.4 Ų32.40%021%0.21CC..Hα-helixtrans-62.4-47.9173.7-75.4171.1000111.4G16 K17 S18 K23 F24 V82 V120 N122 A155 V161 F165G16-L20 WeakPolarHBondContact O-CG 3.5Å; G16-L20 PolarHBondContact O-N 2.7Å; K17-L20 WeakPolarHBondContact O-CB 3.37Å; K17-L20 PolarHBondContact O-N 3.3Å; S18-L20 PolarHBondContact O-N 3.41Å; L20-K23 PolarHBondContact O-N 2.96Å; L20-F24 VanDerWaalsContact O-CB 3.29Å; L20-F24 WeakPolarHBondContact O-CB 3.08Å; L20-F24 PolarHBondContact O-N 3.37Å; L20-V82 HydrophobicContact CD1-CG1 3.9Å; L20-V82 HydrophobicContact CD1-CG2 4.25Å; L20-V120 HydrophobicContact CD1-CG1 4.02Å; L20-N122 HydrophobicContact CD1-CB 4.08Å; L20-A155 HydrophobicContact CD2-CB 3.92Å; L20-A155 HydrophobicContact CG-CB 4.14Å; L20-V161 HydrophobicContact CD2-CB 4.47Å; L20-V161 HydrophobicContact CD2-CG1 4.22Å; L20-V161 HydrophobicContact CD2-CG2 3.87Å; L20-F165 HydrophobicContact CB-CE2 4.11Å; L20-F165 HydrophobicContact CB-CZ 4.34Å
21T98.3Very high95.1Very high0 Ų040.5 Ų40.50%025%0.248CC..Hα-helixtrans-62.4-48.3-179-59.10000111.8K17 S18 F24 V25 Y41 I56 D58K17-T21 PolarHBondContact O-N 3.04Å; K17-T21 PolarHBondContact O-OG1 2.65Å; K17-T21 VanDerWaalsContact O-OG1 3.06Å; S18-T21 PolarHBondContact O-N 3.39Å; T21-F24 PolarHBondContact O-N 3.19Å; T21-V25 HydrophobicContact CG2-CG2 4.27Å; T21-V25 WeakPolarHBondContact O-CB 3.31Å; T21-V25 WeakPolarHBondContact O-CG2 3.35Å; T21-V25 PolarHBondContact O-N 2.91Å; T21-Y41 HydrophobicContact CG2-CD2 3.33Å; T21-Y41 HydrophobicContact CG2-CE2 3.63Å; T21-Y41 HydrophobicContact CG2-CG 3.95Å; T21-I56 HydrophobicContact CG2-CB 4.47Å; T21-I56 HydrophobicContact CG2-CG2 3.78Å; T21-D58 HydrophobicContact CG2-CB 4.33Å
22V97.1Very high94.5Very high31 Ų3148.8 Ų48.819%0.18828%0.284CS..Hα-helixtrans-66.7-40.8179.3172.90000111S18 V25 S26S18-V22 WeakPolarHBondContact O-CB 3.43Å; S18-V22 VanDerWaalsContact O-CG2 3.28Å; S18-V22 WeakPolarHBondContact O-CG2 3.17Å; S18-V22 PolarHBondContact O-N 3.24Å; V22-V25 PolarHBondContact O-N 2.9Å; V22-S26 WeakPolarHBondContact CG1-OG 3.23Å; V22-S26 WeakPolarHBondContact O-CB 3.42Å; V22-S26 PolarHBondContact O-N 3.21Å; V22-S26 PolarHBondContact O-OG 2.89Å
23K98.1Very high93.6Very high23 Ų2354.9 Ų54.910%0.131%0.306CS..Hα-helixtrans-60.5-47.3174.5177.559.669.9166.30110.8A19 L20 G27 K28 A155 D158 V161A19-K23 WeakPolarHBondContact O-CB 3.48Å; A19-K23 PolarHBondContact O-N 3.14Å; L20-K23 PolarHBondContact O-N 2.96Å; K23-G27 WeakPolarHBondContact CD-O 2.97Å; K23-G27 PolarHBondContact NZ-O 3.14Å; K23-G27 WeakPolarHBondContact O-CA 3.4Å; K23-G27 PolarHBondContact O-N 3.39Å; K23-K28 VanDerWaalsContact CA-O 3.25Å; K23-K28 WeakPolarHBondContact CA-O 3.25Å; K23-K28 PolarHBondContact N-O 2.85Å; K23-A155 WeakPolarHBondContact CE-O 3.42Å; K23-D158 HydrophobicContact CD-CB 4.08Å; K23-D158 WeakPolarHBondContact CD-OD1 3.22Å; K23-D158 WeakPolarHBondContact CG-OD1 3.31Å; K23-V161 HydrophobicContact CB-CG1 4.17Å; K23-V161 HydrophobicContact CG-CB 4.28Å; K23-V161 HydrophobicContact CG-CG1 3.93Å; K23-V161 HydrophobicContact CG-CG2 3.99Å
24F98.7Very high93.1Very high4 Ų458.6 Ų58.62%0.01832%0.315CS..Hα-helixtrans-60.3-49.1175.8179-112.9000112.1L20 T21 K43 I45 L54 I56 V161 N162 F165 L166L20-F24 VanDerWaalsContact O-CB 3.29Å; L20-F24 WeakPolarHBondContact O-CB 3.08Å; L20-F24 PolarHBondContact O-N 3.37Å; T21-F24 PolarHBondContact O-N 3.19Å; F24-K43 HydrophobicContact CD1-CD 4.03Å; F24-K43 HydrophobicContact CE1-CB 4.25Å; F24-K43 HydrophobicContact CE1-CD 3.66Å; F24-K43 HydrophobicContact CE1-CG 4.34Å; F24-K43 HydrophobicContact CE2-CD 4.42Å; F24-K43 HydrophobicContact CZ-CD 3.89Å; F24-K43 PolarHBondContact O-NZ 3.48Å; F24-I45 HydrophobicContact CE1-CG2 4.29Å; F24-I45 HydrophobicContact CZ-CG2 3.74Å; F24-L54 HydrophobicContact CE1-CD2 4.06Å; F24-L54 HydrophobicContact CZ-CD2 4.47Å; F24-I56 HydrophobicContact CD1-CD1 3.62Å; F24-I56 HydrophobicContact CE1-CD1 3.79Å; F24-V161 HydrophobicContact CB-CG1 3.88Å; F24-N162 WeakPolarHBondContact CD2-OD1 3.27Å; F24-N162 HydrophobicContact CE2-CB 4.49Å; F24-N162 VanDerWaalsContact CE2-OD1 3.27Å; F24-N162 WeakPolarHBondContact CE2-OD1 3.42Å; F24-F165 HydrophobicContact CB-CD2 3.61Å; F24-F165 HydrophobicContact CB-CE2 3.59Å; F24-F165 HydrophobicContact CB-CG 4.24Å; F24-F165 HydrophobicContact CB-CZ 4.19Å; F24-F165 HydrophobicContact CD1-CB 4.06Å; F24-F165 AromaticContact CD1-CD1 3.87Å; F24-F165 HydrophobicContact CD1-CD1 3.87Å; F24-F165 AromaticContact CD1-CD2 3.98Å; F24-F165 HydrophobicContact CD1-CD2 3.98Å; F24-F165 HydrophobicContact CD1-CE1 4.33Å; F24-F165 HydrophobicContact CD1-CE2 4.42Å; F24-F165 AromaticContact CD1-CG 3.7Å; F24-F165 HydrophobicContact CD1-CG 3.7Å; F24-F165 HydrophobicContact CD2-CB 3.88Å; F24-F165 AromaticContact CD2-CD2 3.8Å; F24-F165 HydrophobicContact CD2-CD2 3.8Å; F24-F165 AromaticContact CD2-CG 3.97Å; F24-F165 HydrophobicContact CD2-CG 3.97Å; F24-F165 HydrophobicContact CE1-CB 3.85Å; F24-F165 HydrophobicContact CE1-CD1 4.15Å; F24-F165 AromaticContact CE1-CG 3.97Å; F24-F165 HydrophobicContact CE1-CG 3.97Å; F24-F165 HydrophobicContact CE2-CB 3.67Å; F24-F165 HydrophobicContact CE2-CD2 4.46Å; F24-F165 HydrophobicContact CE2-CG 4.23Å; F24-F165 HydrophobicContact CG-CB 4.06Å; F24-F165 HydrophobicContact CG-CD1 4.27Å; F24-F165 AromaticContact CG-CD2 3.51Å; F24-F165 HydrophobicContact CG-CD2 3.51Å; F24-F165 AromaticContact CG-CE2 3.99Å; F24-F165 HydrophobicContact CG-CE2 3.99Å; F24-F165 AromaticContact CG-CG 3.69Å; F24-F165 HydrophobicContact CG-CG 3.69Å; F24-F165 HydrophobicContact CZ-CB 3.64Å; F24-F165 HydrophobicContact CZ-CG 4.22Å; F24-L166 HydrophobicContact CZ-CD2 4.4Å
25V98.1Very high92.7Very high44 Ų4461.2 Ų61.227%0.26733%0.327SS..Hα-helixtrans-72.6-38.9-172.3173.10000112.1T21 V22 Y41 I56T21-V25 HydrophobicContact CG2-CG2 4.27Å; T21-V25 WeakPolarHBondContact O-CB 3.31Å; T21-V25 WeakPolarHBondContact O-CG2 3.35Å; T21-V25 PolarHBondContact O-N 2.91Å; V22-V25 PolarHBondContact O-N 2.9Å; V25-Y41 HydrophobicContact CB-CD1 4.43Å; V25-Y41 HydrophobicContact CG1-CD1 4.08Å; V25-Y41 HydrophobicContact CG2-CD1 4.29Å; V25-Y41 HydrophobicContact CG2-CG 4.11Å; V25-I56 HydrophobicContact CG2-CD1 3.91Å
26S96Very high92Very high60 Ų6062.2 Ų62.242%0.4233%0.333SS..Hα-helixtrans-123-7.2-167.273.60000115.3V22 K28V22-S26 WeakPolarHBondContact CG1-OG 3.23Å; V22-S26 WeakPolarHBondContact O-CB 3.42Å; V22-S26 PolarHBondContact O-N 3.21Å; V22-S26 PolarHBondContact O-OG 2.89Å; S26-K28 PolarHBondContact O-N 2.98Å; S26-K28 WeakPolarHBondContact OG-CB 3.41Å; S26-K28 PolarHBondContact OG-N 3.44Å
27G96.3Very high91.4Very high46 Ų4668 Ų6847%0.47436%0.359SS..SBendtrans73.4-3.5-171.900000114.3K23K23-G27 WeakPolarHBondContact CD-O 2.97Å; K23-G27 PolarHBondContact NZ-O 3.14Å; K23-G27 WeakPolarHBondContact O-CA 3.4Å; K23-G27 PolarHBondContact O-N 3.39Å
28K94.9Very high91Very high143 Ų14371 Ų7162%0.62237%0.374SS*.  trans-94.4144.3-174-60.3-179.1-177.9-179.90111.7K23 S26K23-K28 VanDerWaalsContact CA-O 3.25Å; K23-K28 WeakPolarHBondContact CA-O 3.25Å; K23-K28 PolarHBondContact N-O 2.85Å; S26-K28 PolarHBondContact O-N 2.98Å; S26-K28 WeakPolarHBondContact OG-CB 3.41Å; S26-K28 PolarHBondContact OG-N 3.44Å
29F92.3Very high90.8Very high73 Ų7373 Ų7332%0.3238%0.382SS..  trans-109.1129.8164.9-179.6-107.2000107.9A19 E31 A155 R156A19-F29 HydrophobicContact CB-CD2 4.36Å; A19-F29 HydrophobicContact CB-CE2 4.02Å; F29-E31 HydrophobicContact CD1-CG 4.13Å; F29-E31 HydrophobicContact CE1-CG 3.82Å; F29-A155 HydrophobicContact CD2-CB 4.32Å; F29-A155 WeakPolarHBondContact CD2-O 3.34Å; F29-A155 HydrophobicContact CE2-CB 4.36Å; F29-R156 HydrophobicContact CD1-CG 4.35Å; F29-R156 HydrophobicContact CD2-CB 4.46Å; F29-R156 HydrophobicContact CE1-CB 4.24Å; F29-R156 HydrophobicContact CE1-CG 3.97Å; F29-R156 HydrophobicContact CE2-CB 4.08Å; F29-R156 HydrophobicContact CZ-CB 3.97Å; F29-R156 HydrophobicContact CZ-CG 4.16Å
30V88.2Confident90.8Very high90 Ų9078.6 Ų78.655%0.54540%0.402SS..  trans-111.9115.2178.2-178.60000107.4K32V30-K32 VanDerWaalsContact C-N 3.31Å; V30-K32 HydrophobicContact CG1-CB 4.33Å; V30-K32 PolarHBondContact O-N 3.37Å
31E82.5Confident90.7Very high172 Ų17281.7 Ų81.780%0.80441%0.414SS*.  trans-68.1-32.3-177.9-69-175.6171.300112.7F29 Y33F29-E31 HydrophobicContact CD1-CG 4.13Å; F29-E31 HydrophobicContact CE1-CG 3.82Å; E31-Y33 PolarHBondContact O-N 3.11Å
32K84.1Confident90.7Very high175 Ų17588.6 Ų88.676%0.76144%0.44SS*.SBendtrans-69.3120.2178.7-173.7179.7176.7-173.70109.9V30V30-K32 VanDerWaalsContact C-N 3.31Å; V30-K32 HydrophobicContact CG1-CB 4.33Å; V30-K32 PolarHBondContact O-N 3.37Å
33Y74Confident90.7Very high140 Ų14089.7 Ų89.755%0.54944%0.442SS..  trans-90.9125.2173.9-179.8-108.8000110.8G14 E31 P35G14-Y33 PolarHBondContact N-OH 3Å; E31-Y33 PolarHBondContact O-N 3.11Å; Y33-P35 HydrophobicContact CE1-CG 3.86Å
34D81.5Confident90.7Very high123 Ų12392.1 Ų92.166%0.65846%0.456SS*.  trans-123124166.5-164.7-4.5000107.5T36D34-T36 PolarHBondContact O-N 3.02Å; D34-T36 VanDerWaalsContact O-N 3.11Å
35P84.1Confident90.7Very high84 Ų8492.4 Ų92.455%0.54546%0.458SS..  trans-56.8116.4178-25.734.5000112.4Y33Y33-P35 HydrophobicContact CE1-CG 3.86Å
36T81.7Confident90.7Very high21 Ų2194.6 Ų94.613%0.12947%0.468CS..  trans-66142.3175.2-54.20000111.4S18 D34 D39 A60S18-T36 PolarHBondContact OG-OG1 3.47Å; D34-T36 PolarHBondContact O-N 3.02Å; D34-T36 VanDerWaalsContact O-N 3.11Å; T36-D39 HydrophobicContact CG2-CB 4.48Å; T36-D39 WeakPolarHBondContact CG2-OD2 3.32Å; T36-A60 WeakPolarHBondContact O-CA 3.43Å; T36-A60 WeakPolarHBondContact O-CB 3.31Å
37I83.2Confident90.7Very high134 Ų13491.9 Ų91.969%0.68745%0.448SS*.SBendtrans-88.9-66.6162.5-62.9174.4000107.7A60I37-A60 WeakPolarHBondContact O-CB 3.45Å; I37-A60 PolarHBondContact O-N 3.24Å
38E88.3Confident90.6Very high75 Ų7594.8 Ų94.835%0.3545%0.453SS..EExtended strand (participates in β ladder)trans-157.1145.8165.861.4177.7-178.100108.8F40 L57 D58 Y72E38-F40 HydrophobicContact CG-CE2 4.31Å; E38-L57 HydrophobicContact CB-CD1 4.06Å; E38-D58 CarbonylContact C-O 3.55Å; E38-D58 VanDerWaalsContact CA-O 3.27Å; E38-D58 WeakPolarHBondContact CA-O 3.34Å; E38-Y72 VanDerWaalsContact CD-OH 3.32Å; E38-Y72 WeakPolarHBondContact OE2-CE1 3.39Å; E38-Y72 PolarHBondContact OE2-OH 2.88Å
39D93.6Very high90.5Very high70 Ų7091 Ų9137%0.37445%0.454SS..EExtended strand (participates in β ladder)trans-135.7139.6172.4-78.8-61.9000110.2T36 Y41 D58T36-D39 HydrophobicContact CG2-CB 4.48Å; T36-D39 WeakPolarHBondContact CG2-OD2 3.32Å; D39-Y41 HydrophobicContact CB-CD2 4.32Å; D39-Y41 HydrophobicContact CB-CE2 3.5Å; D39-D58 HydrophobicContact CB-CB 4.36Å; D39-D58 PolarHBondContact N-O 2.96Å; D39-D58 PolarHBondContact O-N 3.32Å
40F96.1Very high90.7Very high143 Ų14391.4 Ų91.463%0.62746%0.463SS*.EExtended strand (participates in β ladder)trans-109.2123.3178.9-70.2-89.2000110.5E38 I56 L57E38-F40 HydrophobicContact CG-CE2 4.31Å; F40-I56 WeakPolarHBondContact CA-O 3.44Å; F40-L57 HydrophobicContact CD1-CB 4.39Å; F40-L57 HydrophobicContact CD1-CD1 4.04Å; F40-L57 HydrophobicContact CD2-CD1 4.38Å; F40-L57 HydrophobicContact CE1-CB 4.18Å; F40-L57 HydrophobicContact CE1-CD1 3.62Å; F40-L57 HydrophobicContact CE1-CD2 4.34Å; F40-L57 HydrophobicContact CE1-CG 4.25Å; F40-L57 HydrophobicContact CE2-CD1 3.97Å; F40-L57 HydrophobicContact CG-CD1 4.42Å; F40-L57 HydrophobicContact CZ-CD1 3.57Å; F40-L57 HydrophobicContact CZ-CD2 4.49Å
41Y98Very high91.1Very high64 Ų6491.6 Ų91.625%0.25146%0.457SS..EExtended strand (participates in β ladder)trans-118.9158.1175.1-58.7-90.1000111T21 V25 D39 E55 I56 D58T21-Y41 HydrophobicContact CG2-CD2 3.33Å; T21-Y41 HydrophobicContact CG2-CE2 3.63Å; T21-Y41 HydrophobicContact CG2-CG 3.95Å; V25-Y41 HydrophobicContact CB-CD1 4.43Å; V25-Y41 HydrophobicContact CG1-CD1 4.08Å; V25-Y41 HydrophobicContact CG2-CD1 4.29Å; V25-Y41 HydrophobicContact CG2-CG 4.11Å; D39-Y41 HydrophobicContact CB-CD2 4.32Å; D39-Y41 HydrophobicContact CB-CE2 3.5Å; Y41-E55 CarbonylContact O-C 3.5Å; Y41-E55 WeakPolarHBondContact O-CA 3.39Å; Y41-I56 PolarHBondContact N-O 2.87Å; Y41-I56 PolarHBondContact O-N 2.91Å; Y41-D58 HydrophobicContact CE2-CB 4.22Å
42R97.8Very high91.8Very high145 Ų14584 Ų8455%0.54742%0.422SS..EExtended strand (participates in β ladder)trans-137129173.6-175.6177.5167.8-175.3-0.8109.3T53 L54R42-T53 HydrophobicContact CG-CG2 3.68Å; R42-L54 VanDerWaalsContact CA-O 3.3Å; R42-L54 WeakPolarHBondContact CA-O 3.26Å
43K98.1Very high92.5Very high54 Ų5475.8 Ų75.824%0.23539%0.386CS..EExtended strand (participates in β ladder)trans-134.2134.8174.7-178.7166.9170.9-166.90109.9F24 I45 L54F24-K43 HydrophobicContact CD1-CD 4.03Å; F24-K43 HydrophobicContact CE1-CB 4.25Å; F24-K43 HydrophobicContact CE1-CD 3.66Å; F24-K43 HydrophobicContact CE1-CG 4.34Å; F24-K43 HydrophobicContact CE2-CD 4.42Å; F24-K43 HydrophobicContact CZ-CD 3.89Å; F24-K43 PolarHBondContact O-NZ 3.48Å; K43-I45 HydrophobicContact CB-CG2 4.44Å; K43-I45 HydrophobicContact CD-CG2 4.5Å; K43-I45 HydrophobicContact CG-CG2 4.02Å; K43-L54 PolarHBondContact N-O 2.66Å; K43-L54 PolarHBondContact O-N 3.35Å
44D98Very high93.6Very high75 Ų7569.1 Ų69.140%0.40136%0.36SS..EExtended strand (participates in β ladder)trans-79.5131.3166.9-76.4-17.3000109.2R2 H52 T53R2-D44 IonicContact CZ-OD2 2.85Å; R2-D44 IonicContact NH1-OD2 3.38Å; R2-D44 PolarHBondContact NH1-OD2 2.95Å; D44-H52 WeakPolarHBondContact CA-O 3.39Å; D44-T53 PolarHBondContact OD1-OG1 2.9Å
45I98Very high94.5Very high9 Ų965.8 Ų65.85%0.04634%0.341CS..EExtended strand (participates in β ladder)trans-128.7158.8-171.560.3168.1000110.4F24 K43 V47 H51 H52 L54 L166 V169F24-I45 HydrophobicContact CE1-CG2 4.29Å; F24-I45 HydrophobicContact CZ-CG2 3.74Å; K43-I45 HydrophobicContact CB-CG2 4.44Å; K43-I45 HydrophobicContact CD-CG2 4.5Å; K43-I45 HydrophobicContact CG-CG2 4.02Å; I45-V47 HydrophobicContact CD1-CG2 3.81Å; I45-V47 HydrophobicContact CG1-CG2 4.39Å; I45-H51 WeakPolarHBondContact O-CA 3.45Å; I45-H52 HydrophobicContact CD1-CB 4.28Å; I45-H52 HydrophobicContact CG1-CB 3.9Å; I45-H52 PolarHBondContact N-O 2.92Å; I45-H52 PolarHBondContact O-N 3.4Å; I45-L54 HydrophobicContact CD1-CB 3.91Å; I45-L54 HydrophobicContact CD1-CD2 4.3Å; I45-L54 HydrophobicContact CG1-CB 4.33Å; I45-L54 HydrophobicContact CG2-CB 4.32Å; I45-L166 HydrophobicContact CB-CD2 3.86Å; I45-L166 HydrophobicContact CD1-CD2 4.09Å; I45-L166 HydrophobicContact CG2-CD2 4.1Å; I45-V169 HydrophobicContact CD1-CB 4.25Å; I45-V169 HydrophobicContact CD1-CG1 4.17Å; I45-V169 HydrophobicContact CD1-CG2 3.75Å
46L97.1Very high95.2Very high91 Ų9161.8 Ų61.848%0.47632%0.315SS..EExtended strand (participates in β ladder)trans-118114.5172.7-174.670.3000107.5G49L46-G49 VanDerWaalsContact CD1-C 3.43Å
47V96.7Very high95.9Very high2 Ų261.5 Ų61.51%0.01231%0.312CS..EExtended strand (participates in β ladder)trans-119.7121.1176.3-179.10000107.2I45 G49 V50 L166 V169 R170 L173I45-V47 HydrophobicContact CD1-CG2 3.81Å; I45-V47 HydrophobicContact CG1-CG2 4.39Å; V47-G49 PolarHBondContact O-N 3.22Å; V47-G49 VanDerWaalsContact O-N 3.14Å; V47-V50 PolarHBondContact N-O 3.5Å; V47-V50 PolarHBondContact O-N 2.99Å; V47-L166 HydrophobicContact CG2-CB 4.45Å; V47-L166 HydrophobicContact CG2-CD2 3.89Å; V47-V169 HydrophobicContact CG2-CB 4.17Å; V47-V169 HydrophobicContact CG2-CG1 3.96Å; V47-R170 HydrophobicContact CG1-CB 4.28Å; V47-L173 HydrophobicContact CB-CD1 4.39Å; V47-L173 HydrophobicContact CG1-CD1 3.93Å
48D93.8Very high96.4Very high108 Ų10855.1 Ų55.158%0.57828%0.28SS*.THydrogen-bonded Turntrans50.542.3177.5-50.6-22.3000112.7V50 R170D48-V50 VanDerWaalsContact C-N 3.29Å; D48-V50 PolarHBondContact O-N 3.47Å; D48-R170 IonicContact OD1-CZ 2.7Å; D48-R170 IonicContact OD1-NE 3.24Å; D48-R170 PolarHBondContact OD1-NE 3.16Å; D48-R170 VanDerWaalsContact OD1-NE 3.12Å; D48-R170 IonicContact OD1-NH2 2.67Å; D48-R170 PolarHBondContact OD1-NH2 3.47Å; D48-R170 IonicContact OD2-NE 3.57Å; D48-R170 PolarHBondContact OD2-NE 3Å
49G94.1Very high96.6Very high62 Ų6251.6 Ų51.664%0.63926%0.263SS*.THydrogen-bonded Turntrans80-0.7179.500000115.5L46 V47L46-G49 VanDerWaalsContact CD1-C 3.43Å; V47-G49 PolarHBondContact O-N 3.22Å; V47-G49 VanDerWaalsContact O-N 3.14Å
50V95.3Very high96.3Very high82 Ų8249.2 Ų49.250%0.49725%0.254SS..EExtended strand (participates in β ladder)trans-109.7130.6-178.6-174.50000111.1V47 D48 H52V47-V50 PolarHBondContact N-O 3.5Å; V47-V50 PolarHBondContact O-N 2.99Å; D48-V50 VanDerWaalsContact C-N 3.29Å; D48-V50 PolarHBondContact O-N 3.47Å; V50-H52 PolarHBondContact O-CD2 3.29Å
51H96.9Very high95.1Very high95 Ų9544.1 Ų44.144%0.4424%0.241SC..EExtended strand (participates in β ladder)trans-78129.2177.5-76.7-75.1000112.3R2 I45R2-H51 HydrophobicContact CG-CB 4.21Å; R2-H51 PolarHBondContact NH2-ND1 3.43Å; I45-H51 WeakPolarHBondContact O-CA 3.45Å
52H97.5Very high93.4Very high11 Ų1142.2 Ų42.25%0.05124%0.236CC..EExtended strand (participates in β ladder)trans-129.1165.1174.2-56.1-74.6000110.8Y5 D44 I45 V50Y5-H52 HydrophobicContact CD2-CB 4.1Å; Y5-H52 HydrophobicContact CE2-CB 3.98Å; Y5-H52 AromaticContact CE2-CE1 3.86Å; Y5-H52 AromaticContact CE2-CG 3.6Å; Y5-H52 AromaticContact CE2-ND1 3.35Å; Y5-H52 VanDerWaalsContact CE2-ND1 3.35Å; Y5-H52 WeakPolarHBondContact CE2-ND1 3.23Å; Y5-H52 AromaticContact CZ-ND1 3.93Å; D44-H52 WeakPolarHBondContact CA-O 3.39Å; I45-H52 HydrophobicContact CD1-CB 4.28Å; I45-H52 HydrophobicContact CG1-CB 3.9Å; I45-H52 PolarHBondContact N-O 2.92Å; I45-H52 PolarHBondContact O-N 3.4Å; V50-H52 PolarHBondContact O-CD2 3.29Å
53T98.2Very high91.5Very high3 Ų343.9 Ų43.92%0.01825%0.25CC..EExtended strand (participates in β ladder)trans-109126.6166.2-68.80000107.7R3 K4 Y5 R42 D44R3-T53 PolarHBondContact O-N 3.1Å; K4-T53 CarbonylContact C-O 3.43Å; K4-T53 VanDerWaalsContact CA-O 3.26Å; K4-T53 WeakPolarHBondContact CA-O 3.39Å; K4-T53 HydrophobicContact CG-CG2 4.19Å; Y5-T53 PolarHBondContact N-O 3.07Å; R42-T53 HydrophobicContact CG-CG2 3.68Å; D44-T53 PolarHBondContact OD1-OG1 2.9Å
54L98.6Very high89.5Confident0 Ų049.2 Ų49.20%028%0.276CS..EExtended strand (participates in β ladder)trans-103.4120.5173.3-169.160.9000109.5L7 F24 R42 K43 I45 I56 F165 V169L7-L54 HydrophobicContact CB-CD1 3.76Å; L7-L54 HydrophobicContact CB-CG 4.31Å; L7-L54 HydrophobicContact CD1-CD2 4.27Å; F24-L54 HydrophobicContact CE1-CD2 4.06Å; F24-L54 HydrophobicContact CZ-CD2 4.47Å; R42-L54 VanDerWaalsContact CA-O 3.3Å; R42-L54 WeakPolarHBondContact CA-O 3.26Å; K43-L54 PolarHBondContact N-O 2.66Å; K43-L54 PolarHBondContact O-N 3.35Å; I45-L54 HydrophobicContact CD1-CB 3.91Å; I45-L54 HydrophobicContact CD1-CD2 4.3Å; I45-L54 HydrophobicContact CG1-CB 4.33Å; I45-L54 HydrophobicContact CG2-CB 4.32Å; L54-I56 HydrophobicContact CD2-CD1 4.11Å; L54-I56 HydrophobicContact CD2-CG1 3.92Å; L54-I56 HydrophobicContact CG-CD1 4.41Å; L54-I56 HydrophobicContact CG-CG1 3.81Å; L54-F165 HydrophobicContact CD2-CB 4.45Å; L54-F165 HydrophobicContact CD2-CD1 4.36Å; L54-V169 HydrophobicContact CD1-CG2 3.57Å; L54-V169 HydrophobicContact CD2-CG2 4.14Å; L54-V169 HydrophobicContact CG-CG2 4.43Å
55E98.6Very high87.8Confident53 Ų5351.8 Ų51.825%0.24828%0.284CS..EExtended strand (participates in β ladder)trans-93.4120166.7-66.5175.8171.500107Y5 R6 L7 Y41Y5-E55 PolarHBondContact O-N 2.75Å; R6-E55 CarbonylContact C-O 3.36Å; R6-E55 WeakPolarHBondContact CA-O 3.29Å; R6-E55 HydrophobicContact CG-CB 4.26Å; R6-E55 IonicContact NE-OE2 3.94Å; R6-E55 PolarHBondContact NE-OE2 2.78Å; L7-E55 PolarHBondContact N-O 2.86Å; Y41-E55 CarbonylContact O-C 3.5Å; Y41-E55 WeakPolarHBondContact O-CA 3.39Å
56I98.8Very high86.4Confident1 Ų155.5 Ų55.51%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-112124-176.1-55.3165.7000107.8L7 V9 T21 F24 V25 F40 Y41 L54 F165L7-I56 HydrophobicContact CD2-CG2 3.93Å; L7-I56 WeakPolarHBondContact O-CA 3.41Å; V9-I56 HydrophobicContact CG2-CG2 3.86Å; T21-I56 HydrophobicContact CG2-CB 4.47Å; T21-I56 HydrophobicContact CG2-CG2 3.78Å; F24-I56 HydrophobicContact CD1-CD1 3.62Å; F24-I56 HydrophobicContact CE1-CD1 3.79Å; V25-I56 HydrophobicContact CG2-CD1 3.91Å; F40-I56 WeakPolarHBondContact CA-O 3.44Å; Y41-I56 PolarHBondContact N-O 2.87Å; Y41-I56 PolarHBondContact O-N 2.91Å; L54-I56 HydrophobicContact CD2-CD1 4.11Å; L54-I56 HydrophobicContact CD2-CG1 3.92Å; L54-I56 HydrophobicContact CG-CD1 4.41Å; L54-I56 HydrophobicContact CG-CG1 3.81Å; I56-F165 HydrophobicContact CD1-CD1 3.94Å; I56-F165 HydrophobicContact CD1-CE1 3.91Å; I56-F165 HydrophobicContact CG1-CD1 4.46Å; I56-F165 HydrophobicContact CG1-CE1 4.42Å; I56-F165 HydrophobicContact CG2-CE1 4.05Å
57L97.1Very high85.4Confident14 Ų1455.9 Ų55.97%0.07332%0.321CS..EExtended strand (participates in β ladder)trans-98.9108.6167173.457.5000108.7L7 V8 V9 E38 F40 T59 Y72L7-L57 PolarHBondContact O-N 2.81Å; V8-L57 HydrophobicContact CG1-CD2 4.25Å; V8-L57 HydrophobicContact CG1-CG 4.41Å; V8-L57 HydrophobicContact CG2-CB 4.38Å; V8-L57 HydrophobicContact CG2-CD2 4.34Å; V9-L57 PolarHBondContact N-O 3.44Å; E38-L57 HydrophobicContact CB-CD1 4.06Å; F40-L57 HydrophobicContact CD1-CB 4.39Å; F40-L57 HydrophobicContact CD1-CD1 4.04Å; F40-L57 HydrophobicContact CD2-CD1 4.38Å; F40-L57 HydrophobicContact CE1-CB 4.18Å; F40-L57 HydrophobicContact CE1-CD1 3.62Å; F40-L57 HydrophobicContact CE1-CD2 4.34Å; F40-L57 HydrophobicContact CE1-CG 4.25Å; F40-L57 HydrophobicContact CE2-CD1 3.97Å; F40-L57 HydrophobicContact CG-CD1 4.42Å; F40-L57 HydrophobicContact CZ-CD1 3.57Å; F40-L57 HydrophobicContact CZ-CD2 4.49Å; L57-T59 HydrophobicContact CD2-CG2 4.33Å; L57-T59 HydrophobicContact CG-CG2 3.93Å; L57-Y72 HydrophobicContact CD2-CD1 3.36Å; L57-Y72 HydrophobicContact CD2-CD2 4.14Å; L57-Y72 HydrophobicContact CD2-CE1 3.89Å; L57-Y72 HydrophobicContact CD2-CG 3.48Å; L57-Y72 VanDerWaalsContact CD2-CG 3.48Å
58D94.6Very high84.8Confident0 Ų058.9 Ų58.90%034%0.336CS..EExtended strand (participates in β ladder)trans-86.6132.1167.3-175.131.7000109.4K17 S18 T21 E38 D39 Y41K17-D58 VanDerWaalsContact CB-OD1 3.32Å; K17-D58 WeakPolarHBondContact CB-OD1 3.25Å; S18-D58 WeakPolarHBondContact CA-OD2 3.45Å; S18-D58 WeakPolarHBondContact CB-OD2 3.49Å; S18-D58 PolarHBondContact OG-OD2 2.88Å; T21-D58 HydrophobicContact CG2-CB 4.33Å; E38-D58 CarbonylContact C-O 3.55Å; E38-D58 VanDerWaalsContact CA-O 3.27Å; E38-D58 WeakPolarHBondContact CA-O 3.34Å; D39-D58 HydrophobicContact CB-CB 4.36Å; D39-D58 PolarHBondContact N-O 2.96Å; D39-D58 PolarHBondContact O-N 3.32Å; Y41-D58 HydrophobicContact CE2-CB 4.22Å
59T92.1Very high84.3Confident1 Ų155.4 Ų55.41%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-117.8159.9-171.4760000111.9V8 V9 L10 K17 L57 Y72V8-T59 HydrophobicContact CG1-CG2 3.91Å; V9-T59 PolarHBondContact O-OG1 2.91Å; L10-T59 HydrophobicContact CD2-CG2 4.22Å; K17-T59 WeakPolarHBondContact CE-O 3.5Å; L57-T59 HydrophobicContact CD2-CG2 4.33Å; L57-T59 HydrophobicContact CG-CG2 3.93Å; T59-Y72 HydrophobicContact CG2-CD2 4.02Å; T59-Y72 HydrophobicContact CG2-CE2 4.23Å
60A86.7Confident84.2Confident21 Ų2153.7 Ų53.717%0.17429%0.291CS..  trans-54.1162.3166.900000113.9K17 T36 I37 T62K17-A60 WeakPolarHBondContact CE-O 3.48Å; K17-A60 PolarHBondContact NZ-O 2.79Å; T36-A60 WeakPolarHBondContact O-CA 3.43Å; T36-A60 WeakPolarHBondContact O-CB 3.31Å; I37-A60 WeakPolarHBondContact O-CB 3.45Å; I37-A60 PolarHBondContact O-N 3.24Å; A60-T62 WeakPolarHBondContact O-CG2 3.3Å; A60-T62 PolarHBondContact O-N 2.8Å
61G70.7Confident84Confident35 Ų3553.3 Ų53.336%0.36129%0.286SS..  trans-69.6118.3157.600000109
62T62Low83.7Confident25 Ų2549.8 Ų49.815%0.15327%0.269CS..SBendtrans-107.2102.1-152.648.80000114.3A60 R69A60-T62 WeakPolarHBondContact O-CG2 3.3Å; A60-T62 PolarHBondContact O-N 2.8Å; T62-R69 PolarHBondContact O-NH2 3.16Å; T62-R69 PolarHBondContact OG1-NH1 3.17Å; T62-R69 VanDerWaalsContact OG1-NH1 3.14Å; T62-R69 PolarHBondContact OG1-NH2 3.38Å
63E59Low83.6Confident179 Ų17949.3 Ų49.384%0.83627%0.267SS*.SBendtrans-121.6-16159.1-65.4-158.4179.100114.5
64Q55.9Low83.4Confident167 Ų16755.8 Ų55.878%0.7829%0.291SS*.SBendtrans-105.4-4.3-166.7-67.5172.3-2.900116.7
65F63Low83.3Confident128 Ų12859.6 Ų59.656%0.56131%0.311SS*.  trans-139.271.7-173.1-53.5-72.6000114.3L68 R69F65-L68 HydrophobicContact CB-CB 4.03Å; F65-L68 HydrophobicContact CB-CD2 4.41Å; F65-L68 PolarHBondContact O-N 3.3Å; F65-R69 PolarHBondContact O-N 2.74Å
66S68.3Low83.2Confident87 Ų8757.2 Ų57.261%0.60830%0.301SS*.Hα-helixtrans-60.9-47.5-177.956.20000113.4L68 R69 D70S66-L68 VanDerWaalsContact C-N 3.32Å; S66-L68 PolarHBondContact O-N 2.84Å; S66-R69 WeakPolarHBondContact O-CB 3.44Å; S66-R69 PolarHBondContact O-N 3.49Å; S66-D70 PolarHBondContact O-N 3.08Å
67S76Confident83.1Confident99 Ų9960.5 Ų60.569%0.69232%0.316SS*.Hα-helixtrans-62-37.9-178.4-52.70000113.2D70 L71S67-D70 PolarHBondContact O-N 3.27Å; S67-L71 PolarHBondContact O-N 3.24Å
68L83.3Confident83.1Confident65 Ų6559.8 Ų59.834%0.3431%0.313SS..Hα-helixtrans-70.2-39.3179-173.658.9000110.8F65 S66 D70 L71 Y72F65-L68 HydrophobicContact CB-CB 4.03Å; F65-L68 HydrophobicContact CB-CD2 4.41Å; F65-L68 PolarHBondContact O-N 3.3Å; S66-L68 VanDerWaalsContact C-N 3.32Å; S66-L68 PolarHBondContact O-N 2.84Å; L68-D70 VanDerWaalsContact C-N 3.34Å; L68-D70 PolarHBondContact O-N 2.68Å; L68-L71 WeakPolarHBondContact O-CB 3.33Å; L68-L71 PolarHBondContact O-N 2.9Å; L68-L71 VanDerWaalsContact O-N 3.16Å; L68-Y72 HydrophobicContact CD1-CE1 3.71Å; L68-Y72 HydrophobicContact CD1-CE2 4.48Å; L68-Y72 HydrophobicContact CD2-CE2 4.31Å; L68-Y72 WeakPolarHBondContact CD2-OH 3.47Å; L68-Y72 HydrophobicContact CG-CE1 3.9Å; L68-Y72 HydrophobicContact CG-CE2 3.75Å; L68-Y72 WeakPolarHBondContact CG-OH 3.42Å; L68-Y72 WeakPolarHBondContact O-CD2 3.43Å; L68-Y72 VanDerWaalsContact O-CG 3.29Å; L68-Y72 PolarHBondContact O-N 2.91Å; L68-Y72 VanDerWaalsContact O-N 3.09Å
69R83.4Confident83.2Confident36 Ų3659.8 Ų59.814%0.13631%0.313CS..Hα-helixtrans-60-43172.9-163.7-168.6-55-161.215112.2T62 F65 S66 L71 Y72 I73T62-R69 PolarHBondContact O-NH2 3.16Å; T62-R69 PolarHBondContact OG1-NH1 3.17Å; T62-R69 VanDerWaalsContact OG1-NH1 3.14Å; T62-R69 PolarHBondContact OG1-NH2 3.38Å; F65-R69 PolarHBondContact O-N 2.74Å; S66-R69 WeakPolarHBondContact O-CB 3.44Å; S66-R69 PolarHBondContact O-N 3.49Å; R69-L71 VanDerWaalsContact C-N 3.26Å; R69-L71 PolarHBondContact O-N 2.91Å; R69-Y72 PolarHBondContact O-N 2.83Å; R69-I73 HydrophobicContact CG-CD1 3.89Å; R69-I73 HydrophobicContact CG-CG1 4.46Å; R69-I73 WeakPolarHBondContact O-CG1 3.29Å; R69-I73 PolarHBondContact O-N 2.66Å
70D91.6Very high83.6Confident25 Ų2559.8 Ų59.813%0.13431%0.312CS..Hα-helixtrans-63.2-34.3178.1-78.311.1000111.7S66 S67 L68 R74 N100 R103 V104S66-D70 PolarHBondContact O-N 3.08Å; S67-D70 PolarHBondContact O-N 3.27Å; L68-D70 VanDerWaalsContact C-N 3.34Å; L68-D70 PolarHBondContact O-N 2.68Å; D70-R74 VanDerWaalsContact O-CB 3.23Å; D70-R74 WeakPolarHBondContact O-CB 3.29Å; D70-R74 PolarHBondContact O-N 2.77Å; D70-N100 PolarHBondContact OD1-ND2 3.12Å; D70-R103 VanDerWaalsContact CG-NH2 3.29Å; D70-R103 IonicContact OD1-NH2 3.44Å; D70-R103 PolarHBondContact OD1-NH2 3.16Å; D70-R103 IonicContact OD2-CZ 3.74Å; D70-R103 IonicContact OD2-NH1 3.12Å; D70-R103 IonicContact OD2-NH2 2.68Å; D70-R103 PolarHBondContact OD2-NH2 3.06Å; D70-V104 HydrophobicContact CB-CG2 3.98Å; D70-V104 VanDerWaalsContact CG-CG2 3.43Å; D70-V104 WeakPolarHBondContact O-CG1 3.45Å; D70-V104 VanDerWaalsContact OD1-CG2 3.3Å; D70-V104 WeakPolarHBondContact OD1-CG2 3.3Å
71L91.4Very high84.1Confident75 Ų7558.8 Ų58.839%0.39330%0.304SS..Hα-helixtrans-65.2-46.9173.4-178.764000111.9S67 L68 R69 I73 R74 N75S67-L71 PolarHBondContact O-N 3.24Å; L68-L71 WeakPolarHBondContact O-CB 3.33Å; L68-L71 PolarHBondContact O-N 2.9Å; L68-L71 VanDerWaalsContact O-N 3.16Å; R69-L71 VanDerWaalsContact C-N 3.26Å; R69-L71 PolarHBondContact O-N 2.91Å; L71-I73 VanDerWaalsContact C-N 3.35Å; L71-I73 PolarHBondContact O-N 3.45Å; L71-R74 PolarHBondContact O-N 3.06Å; L71-N75 WeakPolarHBondContact O-CB 3.5Å; L71-N75 PolarHBondContact O-N 2.8Å
72Y92Very high85.4Confident21 Ų2157.1 Ų57.18%0.08229%0.287CS..Hα-helixtrans-58.5-47.7176.8-56.3-30.5000111.7E38 L57 T59 L68 R69 R74 N75 G76E38-Y72 VanDerWaalsContact CD-OH 3.32Å; E38-Y72 WeakPolarHBondContact OE2-CE1 3.39Å; E38-Y72 PolarHBondContact OE2-OH 2.88Å; L57-Y72 HydrophobicContact CD2-CD1 3.36Å; L57-Y72 HydrophobicContact CD2-CD2 4.14Å; L57-Y72 HydrophobicContact CD2-CE1 3.89Å; L57-Y72 HydrophobicContact CD2-CG 3.48Å; L57-Y72 VanDerWaalsContact CD2-CG 3.48Å; T59-Y72 HydrophobicContact CG2-CD2 4.02Å; T59-Y72 HydrophobicContact CG2-CE2 4.23Å; L68-Y72 HydrophobicContact CD1-CE1 3.71Å; L68-Y72 HydrophobicContact CD1-CE2 4.48Å; L68-Y72 HydrophobicContact CD2-CE2 4.31Å; L68-Y72 WeakPolarHBondContact CD2-OH 3.47Å; L68-Y72 HydrophobicContact CG-CE1 3.9Å; L68-Y72 HydrophobicContact CG-CE2 3.75Å; L68-Y72 WeakPolarHBondContact CG-OH 3.42Å; L68-Y72 WeakPolarHBondContact O-CD2 3.43Å; L68-Y72 VanDerWaalsContact O-CG 3.29Å; L68-Y72 PolarHBondContact O-N 2.91Å; L68-Y72 VanDerWaalsContact O-N 3.09Å; R69-Y72 PolarHBondContact O-N 2.83Å; Y72-R74 PolarHBondContact O-N 2.69Å; Y72-N75 PolarHBondContact O-N 3.39Å; Y72-G76 PolarHBondContact O-N 2.99Å
73I94.4Very high87.2Confident0 Ų056 Ų560%028%0.28CS..Hα-helixtrans-64.2-43.6179.6-68167.9000110.5L10 R69 L71 N75 G76 F79 N100 I101 V104 K105L10-I73 HydrophobicContact CD1-CD1 4.48Å; L10-I73 HydrophobicContact CD1-CG1 4.24Å; R69-I73 HydrophobicContact CG-CD1 3.89Å; R69-I73 HydrophobicContact CG-CG1 4.46Å; R69-I73 WeakPolarHBondContact O-CG1 3.29Å; R69-I73 PolarHBondContact O-N 2.66Å; L71-I73 VanDerWaalsContact C-N 3.35Å; L71-I73 PolarHBondContact O-N 3.45Å; I73-N75 VanDerWaalsContact C-N 3.27Å; I73-N75 PolarHBondContact O-N 2.68Å; I73-G76 PolarHBondContact O-N 3.18Å; I73-F79 HydrophobicContact CB-CE1 4.27Å; I73-F79 HydrophobicContact CB-CZ 4.47Å; I73-F79 HydrophobicContact CG1-CE1 4.08Å; I73-F79 HydrophobicContact CG2-CE1 4.23Å; I73-F79 HydrophobicContact CG2-CZ 4.06Å; I73-N100 HydrophobicContact CD1-CB 4.4Å; I73-N100 VanDerWaalsContact CD1-ND2 3.28Å; I73-N100 WeakPolarHBondContact CD1-ND2 3.47Å; I73-I101 HydrophobicContact CD1-CG1 4.08Å; I73-I101 HydrophobicContact CG1-CG1 4.27Å; I73-I101 HydrophobicContact CG2-CB 4.39Å; I73-I101 HydrophobicContact CG2-CG1 4.37Å; I73-I101 HydrophobicContact CG2-CG2 4.38Å; I73-V104 HydrophobicContact CB-CB 4.26Å; I73-V104 HydrophobicContact CB-CG1 3.96Å; I73-V104 HydrophobicContact CG2-CB 3.62Å; I73-V104 HydrophobicContact CG2-CG1 3.62Å; I73-V104 HydrophobicContact CG2-CG2 4.33Å; I73-K105 HydrophobicContact CG2-CG 4.31Å; I73-K105 WeakPolarHBondContact O-CE 3.41Å; I73-K105 PolarHBondContact O-NZ 3.41Å
74R95Very high89.1Confident139 Ų13948.2 Ų48.253%0.52524%0.244SC..Hα-helixtrans-56.9-44.3178.1-169.8177.8-58.9114.75.3111.1D70 L71 Y72 V104 K105D70-R74 VanDerWaalsContact O-CB 3.23Å; D70-R74 WeakPolarHBondContact O-CB 3.29Å; D70-R74 PolarHBondContact O-N 2.77Å; L71-R74 PolarHBondContact O-N 3.06Å; Y72-R74 PolarHBondContact O-N 2.69Å; R74-V104 HydrophobicContact CB-CG1 3.99Å; R74-K105 PolarHBondContact O-NZ 2.93Å
75N94.7Very high91.1Very high81 Ų8140.2 Ų40.243%0.43321%0.207SC..Hα-helixtrans-84.1-24.5-175.6-67.2-17000114.8L71 Y72 I73L71-N75 WeakPolarHBondContact O-CB 3.5Å; L71-N75 PolarHBondContact O-N 2.8Å; Y72-N75 PolarHBondContact O-N 3.39Å; I73-N75 VanDerWaalsContact C-N 3.27Å; I73-N75 PolarHBondContact O-N 2.68Å
76G96.9Very high92.8Very high2 Ų235 Ų352%0.02119%0.187CC..  trans-70.8144.6177.300000112.5Y72 I73 K105Y72-G76 PolarHBondContact O-N 2.99Å; I73-G76 PolarHBondContact O-N 3.18Å; G76-K105 WeakPolarHBondContact O-CE 3.45Å; G76-K105 PolarHBondContact O-NZ 2.91Å
77Q96.4Very high94.3Very high70 Ų7032.3 Ų32.333%0.32717%0.168SC..SBendtrans-105.2-32.4-179-64.8173.7-83.300112.3R6 P116 L172R6-Q77 HydrophobicContact CB-CG 4.49Å; R6-Q77 PolarHBondContact O-N 3.39Å; Q77-P116 WeakPolarHBondContact O-CD 3.36Å; Q77-L172 HydrophobicContact CB-CD1 4.12Å; Q77-L172 HydrophobicContact CB-CD2 3.75Å
78C97.6Very high95.3Very high0 Ų032.3 Ų32.30%015%0.153CC..EExtended strand (participates in β ladder)trans-136.3160.3172.856.90000110.6R6 L7 V8 P116 A168 L172R6-C78 PolarHBondContact O-N 3.25Å; L7-C78 WeakPolarHBondContact CA-O 3.38Å; V8-C78 PolarHBondContact N-O 3.01Å; C78-P116 CarbonylContact C-O 3.5Å; C78-P116 WeakPolarHBondContact CA-O 3.28Å; C78-P116 HydrophobicContact CB-CB 3.71Å; C78-P116 HydrophobicContact CB-CG 4.41Å; C78-A168 HydrophobicContact CB-CB 4.35Å; C78-A168 WeakPolarHBondContact CB-O 3.27Å; C78-L172 HydrophobicContact CB-CB 4.29Å
79F98.1Very high96Very high0 Ų035 Ų350%016%0.164CC..EExtended strand (participates in β ladder)trans-135.9133.3-170.1-59.4-91.9000111.2V8 L10 I73 I101 V115 P116 I117 V118V8-F79 HydrophobicContact CB-CD1 3.83Å; V8-F79 HydrophobicContact CB-CE1 3.91Å; V8-F79 HydrophobicContact CG2-CD1 4.45Å; V8-F79 HydrophobicContact CG2-CE1 4.07Å; V8-F79 WeakPolarHBondContact O-CA 3.34Å; L10-F79 HydrophobicContact CD1-CD1 3.81Å; L10-F79 HydrophobicContact CD1-CE1 4.37Å; I73-F79 HydrophobicContact CB-CE1 4.27Å; I73-F79 HydrophobicContact CB-CZ 4.47Å; I73-F79 HydrophobicContact CG1-CE1 4.08Å; I73-F79 HydrophobicContact CG2-CE1 4.23Å; I73-F79 HydrophobicContact CG2-CZ 4.06Å; F79-I101 HydrophobicContact CB-CD1 4.19Å; F79-I101 HydrophobicContact CD1-CD1 4.05Å; F79-I101 HydrophobicContact CD1-CG1 4.28Å; F79-I101 HydrophobicContact CD2-CG2 4.17Å; F79-I101 HydrophobicContact CE1-CG1 4.45Å; F79-I101 HydrophobicContact CE2-CG2 4.08Å; F79-I101 HydrophobicContact CG-CD1 4.03Å; F79-I101 HydrophobicContact CZ-CG2 4.35Å; F79-V115 HydrophobicContact CD2-CG1 3.29Å; F79-V115 HydrophobicContact CE2-CG1 3.32Å; F79-P116 PolarHBondContact N-O 2.84Å; F79-I117 HydrophobicContact CB-CG1 4.23Å; F79-I117 CarbonylContact O-C 3.59Å; F79-I117 WeakPolarHBondContact O-CA 3.49Å; F79-V118 PolarHBondContact O-N 2.49Å
80L98.8Very high96.7Very high1 Ų133.9 Ų33.91%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-93.2127.9156.7-61.1-173.9000107.8L7 V8 V9 L10 V82 V118 V120 A164 F165 A168L7-L80 HydrophobicContact CD1-CD2 4.48Å; L7-L80 HydrophobicContact CD1-CG 4.13Å; L7-L80 HydrophobicContact CD2-CD1 4.3Å; L7-L80 HydrophobicContact CD2-CG 4.08Å; L7-L80 HydrophobicContact CG-CG 4.46Å; V8-L80 PolarHBondContact O-N 3.49Å; V9-L80 HydrophobicContact CG1-CB 4.24Å; V9-L80 HydrophobicContact CG2-CD1 4.4Å; L10-L80 PolarHBondContact N-O 2.95Å; L80-V82 HydrophobicContact CB-CG2 4.13Å; L80-V118 HydrophobicContact CD2-CB 3.74Å; L80-V118 HydrophobicContact CD2-CG1 4.26Å; L80-V118 HydrophobicContact CD2-CG2 4.39Å; L80-V120 HydrophobicContact CB-CG2 4.42Å; L80-V120 HydrophobicContact CD2-CG2 4.1Å; L80-A164 WeakPolarHBondContact CD2-O 3.39Å; L80-F165 HydrophobicContact CD1-CD1 3.84Å; L80-F165 HydrophobicContact CD1-CD2 4.15Å; L80-F165 HydrophobicContact CD1-CE1 3.66Å; L80-F165 HydrophobicContact CD1-CE2 3.99Å; L80-F165 HydrophobicContact CD1-CG 4.07Å; L80-F165 HydrophobicContact CD1-CZ 3.73Å; L80-A168 HydrophobicContact CD2-CB 3.79Å
81V98.1Very high97Very high0 Ų032.7 Ų32.70%016%0.155CC..EExtended strand (participates in β ladder)trans-110.8102.8173.3178.40000107.3I94 I101 I117 V118 L119 V120 W146V81-I94 HydrophobicContact CG1-CB 3.57Å; V81-I94 HydrophobicContact CG1-CG2 3.49Å; V81-I94 VanDerWaalsContact CG1-CG2 3.49Å; V81-I101 HydrophobicContact CG2-CD1 3.94Å; V81-I117 HydrophobicContact CB-CG2 4.35Å; V81-I117 HydrophobicContact CG2-CG2 3.84Å; V81-V118 PolarHBondContact N-O 2.94Å; V81-L119 HydrophobicContact CG1-CD1 4.38Å; V81-V120 PolarHBondContact O-N 3.4Å; V81-W146 HydrophobicContact CG1-CZ3 4.26Å
82V98.7Very high97.3Very high0 Ų031.2 Ų31.20%015%0.151CC..EExtended strand (participates in β ladder)trans-102.5130.8-167.4-1690000110.6V9 L10 G11 V15 K17 L20 L80 V120 N122V9-V82 HydrophobicContact CG1-CG2 3.73Å; L10-V82 PolarHBondContact O-N 3.14Å; G11-V82 VanDerWaalsContact CA-O 3.23Å; G11-V82 WeakPolarHBondContact CA-O 3.36Å; V15-V82 HydrophobicContact CB-CG1 4.26Å; V15-V82 HydrophobicContact CG2-CB 3.96Å; V15-V82 HydrophobicContact CG2-CG1 3.83Å; K17-V82 HydrophobicContact CG-CB 4.31Å; K17-V82 HydrophobicContact CG-CG2 4.4Å; L20-V82 HydrophobicContact CD1-CG1 3.9Å; L20-V82 HydrophobicContact CD1-CG2 4.25Å; L80-V82 HydrophobicContact CB-CG2 4.13Å; V82-V120 WeakPolarHBondContact CA-O 3.19Å; V82-V120 HydrophobicContact CG1-CB 4.44Å; V82-V120 HydrophobicContact CG1-CG1 4.33Å; V82-V120 HydrophobicContact CG2-CB 4.18Å; V82-N122 HydrophobicContact CG1-CB 3.8Å
83Y98.7Very high97.4Very high0 Ų031.7 Ų31.70%015%0.154CC..EExtended strand (participates in β ladder)trans-124.8167.2167.369.1-81000110.2L85 F91 I94 L119 V120 N122 I134 S139 H150Y83-L85 HydrophobicContact CE2-CD2 3.74Å; Y83-L85 HydrophobicContact CE2-CG 4.45Å; Y83-F91 AromaticContact CD1-CD2 3.94Å; Y83-F91 HydrophobicContact CD1-CD2 3.94Å; Y83-F91 HydrophobicContact CD2-CB 3.78Å; Y83-F91 AromaticContact CD2-CD2 3.59Å; Y83-F91 HydrophobicContact CD2-CD2 3.59Å; Y83-F91 HydrophobicContact CD2-CG 4.12Å; Y83-F91 AromaticContact CE1-CD2 3.9Å; Y83-F91 HydrophobicContact CE1-CD2 3.9Å; Y83-F91 HydrophobicContact CE1-CE2 4.17Å; Y83-F91 HydrophobicContact CE2-CB 4.32Å; Y83-F91 AromaticContact CE2-CD2 3.52Å; Y83-F91 HydrophobicContact CE2-CD2 3.52Å; Y83-F91 HydrophobicContact CE2-CE2 4.22Å; Y83-F91 HydrophobicContact CE2-CG 4.25Å; Y83-F91 HydrophobicContact CG-CB 4.21Å; Y83-F91 AromaticContact CG-CD2 3.8Å; Y83-F91 HydrophobicContact CG-CD2 3.8Å; Y83-F91 AromaticContact CZ-CD2 3.7Å; Y83-F91 AromaticContact CZ-CE2 3.99Å; Y83-I94 HydrophobicContact CD1-CD1 4.11Å; Y83-L119 HydrophobicContact CD1-CD1 3.95Å; Y83-L119 HydrophobicContact CD1-CG 4.47Å; Y83-L119 HydrophobicContact CE1-CD1 3.96Å; Y83-L119 HydrophobicContact CE1-CD2 4.44Å; Y83-L119 HydrophobicContact CE1-CG 3.99Å; Y83-V120 VanDerWaalsContact CD1-O 3.22Å; Y83-V120 WeakPolarHBondContact CD1-O 3.13Å; Y83-V120 PolarHBondContact N-O 3.01Å; Y83-N122 PolarHBondContact O-N 2.96Å; Y83-I134 HydrophobicContact CD2-CG1 4.35Å; Y83-I134 HydrophobicContact CE2-CB 4.27Å; Y83-I134 HydrophobicContact CE2-CG1 4.03Å; Y83-I134 HydrophobicContact CE2-CG2 4.16Å; Y83-S139 WeakPolarHBondContact OH-CB 3.39Å; Y83-H150 AromaticContact CZ-NE2 3.9Å; Y83-H150 PolarHBondContact OH-NE2 2.94Å
84N98.6Very high97.5Very high16 Ų1631.7 Ų31.79%0.08615%0.154CC..EExtended strand (participates in β ladder)trans-98.5125.3175.4173.314.9000109.3V15 A86 S87 T90 K123V15-N84 HydrophobicContact CB-CB 4.4Å; V15-N84 HydrophobicContact CG1-CB 4.29Å; N84-A86 PolarHBondContact O-N 3.4Å; N84-A86 VanDerWaalsContact O-N 3.14Å; N84-A86 PolarHBondContact OD1-N 2.89Å; N84-S87 PolarHBondContact O-N 3.01Å; N84-T90 HydrophobicContact CB-CG2 4.48Å; N84-T90 PolarHBondContact N-OG1 2.91Å; N84-T90 PolarHBondContact O-OG1 3.5Å; N84-K123 WeakPolarHBondContact OD1-CB 3.5Å; N84-K123 WeakPolarHBondContact OD1-CD 3.43Å
85L98.9Very high97.5Very high0 Ų029 Ų290%014%0.144CC..THydrogen-bonded Turntrans-61.7-19.9177.1-69.2168.4000113.6Y83 G121 N122 A124 A127 E133 I134 E152Y83-L85 HydrophobicContact CE2-CD2 3.74Å; Y83-L85 HydrophobicContact CE2-CG 4.45Å; L85-G121 VanDerWaalsContact CD1-O 3.27Å; L85-G121 WeakPolarHBondContact CD1-O 3.15Å; L85-N122 WeakPolarHBondContact CG-O 3.11Å; L85-N122 PolarHBondContact N-O 2.95Å; L85-A124 HydrophobicContact CD1-CB 3.91Å; L85-A127 HydrophobicContact CB-CB 3.85Å; L85-A127 HydrophobicContact CD1-CB 4.13Å; L85-E133 PolarHBondContact O-N 3.31Å; L85-I134 WeakPolarHBondContact O-CD1 3.05Å; L85-I134 PolarHBondContact O-N 2.89Å; L85-E152 HydrophobicContact CD1-CB 4.06Å; L85-E152 HydrophobicContact CD1-CG 3.94Å; L85-E152 HydrophobicContact CD2-CG 4.13Å; L85-E152 VanDerWaalsContact CD2-OE1 3.26Å; L85-E152 WeakPolarHBondContact CD2-OE1 3.47Å
86A98.5Very high97.4Very high17 Ų1730.7 Ų30.714%0.1415%0.153CC..THydrogen-bonded Turntrans-102.627.6174.200000112.7N84 L126 H131N84-A86 PolarHBondContact O-N 3.4Å; N84-A86 VanDerWaalsContact O-N 3.14Å; N84-A86 PolarHBondContact OD1-N 2.89Å; A86-L126 HydrophobicContact CB-CB 4.07Å; A86-L126 HydrophobicContact CB-CD1 4.24Å; A86-H131 VanDerWaalsContact CA-O 3.24Å; A86-H131 WeakPolarHBondContact CA-O 3.22Å; A86-H131 HydrophobicContact CB-CB 4.03Å; A86-H131 WeakPolarHBondContact CB-O 3.27Å
87S98.4Very high97.1Very high31 Ų3131 Ų3122%0.21715%0.154CC..  trans-154.7102.1173-178.70000112.5N84 Q89 T90 F91 E133N84-S87 PolarHBondContact O-N 3.01Å; S87-Q89 VanDerWaalsContact C-N 3.25Å; S87-Q89 PolarHBondContact O-N 2.92Å; S87-T90 PolarHBondContact O-N 3.32Å; S87-T90 VanDerWaalsContact O-N 3.11Å; S87-T90 PolarHBondContact O-OG1 3.47Å; S87-T90 WeakPolarHBondContact OG-CG2 3.25Å; S87-F91 PolarHBondContact O-N 2.94Å; S87-E133 VanDerWaalsContact CA-OE2 3.27Å; S87-E133 WeakPolarHBondContact CA-OE2 3.44Å
88R98.3Very high97Very high100 Ų10029.6 Ų29.638%0.37715%0.146SC..Hα-helixtrans-53-40.3177.4-175.571.7-140.7-144.42.2113T90 F91 S92 E133 E138R88-T90 VanDerWaalsContact C-N 3.34Å; R88-T90 PolarHBondContact O-N 3.25Å; R88-F91 PolarHBondContact O-N 3.07Å; R88-S92 PolarHBondContact O-N 3.24Å; R88-S92 PolarHBondContact O-OG 3.07Å; R88-E133 HydrophobicContact CB-CB 4.42Å; R88-E133 WeakPolarHBondContact CB-OE2 3.45Å; R88-E133 PolarHBondContact N-OE2 3.45Å; R88-E138 IonicContact CZ-OE1 2.72Å; R88-E138 VanDerWaalsContact CZ-OE1 3.3Å; R88-E138 IonicContact CZ-OE2 3.3Å; R88-E138 VanDerWaalsContact CZ-OE2 3.26Å; R88-E138 IonicContact NH1-OE1 3.42Å; R88-E138 PolarHBondContact NH1-OE1 2.88Å; R88-E138 IonicContact NH1-OE2 3.37Å; R88-E138 PolarHBondContact NH1-OE2 3.45Å; R88-E138 IonicContact NH2-OE1 3.23Å; R88-E138 PolarHBondContact NH2-OE1 2.91Å; R88-E138 IonicContact NH2-OE2 2.6Å; R88-E138 PolarHBondContact NH2-OE2 2.8Å
89Q97.6Very high96.7Very high122 Ų12233.3 Ų33.357%0.5717%0.166SC*.Hα-helixtrans-59.5-45.3179.5-175.460.147.300111.3S87 F91 S92 D93S87-Q89 VanDerWaalsContact C-N 3.25Å; S87-Q89 PolarHBondContact O-N 2.92Å; Q89-F91 PolarHBondContact O-N 3.07Å; Q89-S92 WeakPolarHBondContact O-CA 3.44Å; Q89-S92 WeakPolarHBondContact O-CB 3.48Å; Q89-S92 PolarHBondContact O-N 3.09Å; Q89-D93 PolarHBondContact NE2-OD1 2.98Å; Q89-D93 PolarHBondContact O-N 3.16Å
90T97.6Very high96.4Very high12 Ų1234.6 Ų34.67%0.07417%0.173CC..Hα-helixtrans-65-29.4-178.469.70000112.2V15 N84 S87 R88 I94V15-T90 HydrophobicContact CG1-CG2 3.61Å; N84-T90 HydrophobicContact CB-CG2 4.48Å; N84-T90 PolarHBondContact N-OG1 2.91Å; N84-T90 PolarHBondContact O-OG1 3.5Å; S87-T90 PolarHBondContact O-N 3.32Å; S87-T90 VanDerWaalsContact O-N 3.11Å; S87-T90 PolarHBondContact O-OG1 3.47Å; S87-T90 WeakPolarHBondContact OG-CG2 3.25Å; R88-T90 VanDerWaalsContact C-N 3.34Å; R88-T90 PolarHBondContact O-N 3.25Å; T90-I94 WeakPolarHBondContact O-CG2 3.28Å
91F98.6Very high96.2Very high0 Ų034.6 Ų34.60%017%0.173CC..Hα-helixtrans-76.3-26.6172.6-177.5-105.1000113.1Y83 S87 R88 Q89 I94 R95 I134 E138 L142Y83-F91 AromaticContact CD1-CD2 3.94Å; Y83-F91 HydrophobicContact CD1-CD2 3.94Å; Y83-F91 HydrophobicContact CD2-CB 3.78Å; Y83-F91 AromaticContact CD2-CD2 3.59Å; Y83-F91 HydrophobicContact CD2-CD2 3.59Å; Y83-F91 HydrophobicContact CD2-CG 4.12Å; Y83-F91 AromaticContact CE1-CD2 3.9Å; Y83-F91 HydrophobicContact CE1-CD2 3.9Å; Y83-F91 HydrophobicContact CE1-CE2 4.17Å; Y83-F91 HydrophobicContact CE2-CB 4.32Å; Y83-F91 AromaticContact CE2-CD2 3.52Å; Y83-F91 HydrophobicContact CE2-CD2 3.52Å; Y83-F91 HydrophobicContact CE2-CE2 4.22Å; Y83-F91 HydrophobicContact CE2-CG 4.25Å; Y83-F91 HydrophobicContact CG-CB 4.21Å; Y83-F91 AromaticContact CG-CD2 3.8Å; Y83-F91 HydrophobicContact CG-CD2 3.8Å; Y83-F91 AromaticContact CZ-CD2 3.7Å; Y83-F91 AromaticContact CZ-CE2 3.99Å; S87-F91 PolarHBondContact O-N 2.94Å; R88-F91 PolarHBondContact O-N 3.07Å; Q89-F91 PolarHBondContact O-N 3.07Å; F91-I94 HydrophobicContact CD2-CD1 3.74Å; F91-I94 HydrophobicContact CE2-CD1 3.98Å; F91-I94 WeakPolarHBondContact O-CG1 3.3Å; F91-R95 PolarHBondContact O-NH1 3.46Å; F91-I134 HydrophobicContact CB-CD1 4.12Å; F91-I134 HydrophobicContact CB-CG1 3.67Å; F91-I134 HydrophobicContact CD1-CG1 4.18Å; F91-I134 HydrophobicContact CD1-CG2 4.42Å; F91-I134 HydrophobicContact CD2-CG1 4.36Å; F91-I134 HydrophobicContact CD2-CG2 4.33Å; F91-I134 HydrophobicContact CE1-CG2 4.48Å; F91-I134 HydrophobicContact CE2-CG2 4.38Å; F91-I134 HydrophobicContact CG-CG1 3.82Å; F91-I134 HydrophobicContact CG-CG2 4.33Å; F91-I134 HydrophobicContact CZ-CG2 4.46Å; F91-E138 HydrophobicContact CE1-CG 3.8Å; F91-E138 WeakPolarHBondContact CE1-OE1 3.2Å; F91-E138 HydrophobicContact CZ-CG 4.15Å; F91-L142 HydrophobicContact CE1-CD2 4.36Å; F91-L142 HydrophobicContact CE2-CD2 3.64Å; F91-L142 HydrophobicContact CZ-CB 4.08Å; F91-L142 HydrophobicContact CZ-CD2 3.53Å; F91-L142 HydrophobicContact CZ-CG 4.43Å
92S97.4Very high96Very high44 Ų4435.4 Ų35.431%0.30818%0.177SC..Hα-helixtrans-70.2-45.1170.3-64.30000111R88 Q89 I94 R95R88-S92 PolarHBondContact O-N 3.24Å; R88-S92 PolarHBondContact O-OG 3.07Å; Q89-S92 WeakPolarHBondContact O-CA 3.44Å; Q89-S92 WeakPolarHBondContact O-CB 3.48Å; Q89-S92 PolarHBondContact O-N 3.09Å; S92-I94 VanDerWaalsContact C-N 3.3Å; S92-I94 PolarHBondContact O-N 2.9Å; S92-R95 PolarHBondContact O-N 2.99Å
93D95.1Very high95.8Very high30 Ų3042.5 Ų42.516%0.1620%0.204CC..Hα-helixtrans-61.6-32-173.8-61.7-21.2000114.3S12 Q89 R95 N96 M97S12-D93 VanDerWaalsContact OG-CB 3.28Å; S12-D93 WeakPolarHBondContact OG-CB 3.47Å; S12-D93 PolarHBondContact OG-OD2 3.37Å; Q89-D93 PolarHBondContact NE2-OD1 2.98Å; Q89-D93 PolarHBondContact O-N 3.16Å; D93-R95 PolarHBondContact O-N 3.18Å; D93-R95 VanDerWaalsContact O-N 3.13Å; D93-N96 PolarHBondContact O-N 2.85Å; D93-N96 VanDerWaalsContact O-N 3.16Å; D93-M97 HydrophobicContact CB-CE 4.48Å; D93-M97 PolarHBondContact O-N 2.82Å
94I95.5Very high95.5Very high0 Ų043.8 Ų43.80%021%0.212CC..Hα-helixtrans-62-22.3-177.251.8161.9000113.5V81 Y83 T90 F91 S92 M97 R98 L119 L142 W146V81-I94 HydrophobicContact CG1-CB 3.57Å; V81-I94 HydrophobicContact CG1-CG2 3.49Å; V81-I94 VanDerWaalsContact CG1-CG2 3.49Å; Y83-I94 HydrophobicContact CD1-CD1 4.11Å; T90-I94 WeakPolarHBondContact O-CG2 3.28Å; F91-I94 HydrophobicContact CD2-CD1 3.74Å; F91-I94 HydrophobicContact CE2-CD1 3.98Å; F91-I94 WeakPolarHBondContact O-CG1 3.3Å; S92-I94 VanDerWaalsContact C-N 3.3Å; S92-I94 PolarHBondContact O-N 2.9Å; I94-M97 WeakPolarHBondContact O-CB 3.32Å; I94-M97 PolarHBondContact O-N 2.92Å; I94-R98 PolarHBondContact O-N 3.01Å; I94-L119 HydrophobicContact CD1-CD1 3.4Å; I94-L119 VanDerWaalsContact CD1-CD1 3.4Å; I94-L142 HydrophobicContact CD1-CD2 3.7Å; I94-W146 HydrophobicContact CB-CH2 4.25Å; I94-W146 HydrophobicContact CD1-CH2 4.11Å; I94-W146 HydrophobicContact CG1-CH2 4.28Å; I94-W146 WeakPolarHBondContact O-CH2 3.47Å
95R94.9Very high95.3Very high82 Ų8246 Ų4631%0.30922%0.221SC..Hα-helixtrans-62.7-47.8175-69.5174.5-178.874.5-2.5110.8F91 S92 D93 M97 R98 D99 W146F91-R95 PolarHBondContact O-NH1 3.46Å; S92-R95 PolarHBondContact O-N 2.99Å; D93-R95 PolarHBondContact O-N 3.18Å; D93-R95 VanDerWaalsContact O-N 3.13Å; R95-M97 PolarHBondContact O-N 2.82Å; R95-R98 WeakPolarHBondContact O-CB 3.49Å; R95-R98 PolarHBondContact O-N 2.97Å; R95-D99 PolarHBondContact O-N 3.32Å; R95-W146 HydrophobicContact CG-CZ2 4.18Å
96N91.9Very high95Very high117 Ų11749.2 Ų49.263%0.62625%0.253SS*.Hα-helixtrans-61.1-34.8175.7-65.3-24.3000111.6D93 N100D93-N96 PolarHBondContact O-N 2.85Å; D93-N96 VanDerWaalsContact O-N 3.16Å; N96-N100 WeakPolarHBondContact O-CB 3.44Å; N96-N100 PolarHBondContact O-N 3.39Å
97M91.8Very high94.5Very high9 Ų949.9 Ų49.94%0.04426%0.255CS..Hα-helixtrans-67.8-45.2176.7-60.1-176.2-177.700111.8L10 G11 D93 I94 R95 D99 N100 I101L10-M97 HydrophobicContact CB-SD 4.45Å; G11-M97 WeakPolarHBondContact CA-SD 3.26Å; G11-M97 PolarHBondContact N-SD 3.44Å; G11-M97 VanDerWaalsContact N-SD 3.44Å; D93-M97 HydrophobicContact CB-CE 4.48Å; D93-M97 PolarHBondContact O-N 2.82Å; I94-M97 WeakPolarHBondContact O-CB 3.32Å; I94-M97 PolarHBondContact O-N 2.92Å; R95-M97 PolarHBondContact O-N 2.82Å; M97-D99 VanDerWaalsContact C-N 3.34Å; M97-D99 PolarHBondContact O-N 3.48Å; M97-N100 PolarHBondContact O-N 2.94Å; M97-I101 VanDerWaalsContact O-CG1 3.32Å; M97-I101 WeakPolarHBondContact O-CG1 3.42Å; M97-I101 PolarHBondContact O-N 3.33Å
98R93.7Very high93.9Very high40 Ų4055.7 Ų55.715%0.15128%0.278CS..Hα-helixtrans-59.3-45.5175.1-173.7-130-171.8168.3-1.2111.2I94 R95 N100 I101 L102 I117 W146I94-R98 PolarHBondContact O-N 3.01Å; R95-R98 WeakPolarHBondContact O-CB 3.49Å; R95-R98 PolarHBondContact O-N 2.97Å; R98-N100 VanDerWaalsContact C-N 3.29Å; R98-N100 PolarHBondContact O-N 2.82Å; R98-I101 WeakPolarHBondContact O-CB 3.19Å; R98-I101 PolarHBondContact O-N 3.48Å; R98-I101 VanDerWaalsContact O-N 3.14Å; R98-L102 WeakPolarHBondContact O-CG 3.37Å; R98-L102 PolarHBondContact O-N 3.13Å; R98-I117 HydrophobicContact CG-CD1 4.24Å; R98-W146 HydrophobicContact CB-CE3 4.33Å; R98-W146 HydrophobicContact CB-CH2 3.5Å; R98-W146 VanDerWaalsContact CB-CH2 3.5Å; R98-W146 HydrophobicContact CB-CZ2 3.74Å; R98-W146 HydrophobicContact CB-CZ3 3.82Å; R98-W146 VanDerWaalsContact CD-CE2 3.46Å; R98-W146 HydrophobicContact CG-CD2 3.95Å; R98-W146 HydrophobicContact CG-CE3 3.9Å; R98-W146 HydrophobicContact CG-CH2 3.96Å; R98-W146 HydrophobicContact CG-CZ2 3.99Å; R98-W146 HydrophobicContact CG-CZ3 3.91Å; R98-W146 VanDerWaalsContact CZ-CG 3.42Å
99D92.6Very high92.9Very high79 Ų7955.3 Ų55.342%0.42229%0.289SS..Hα-helixtrans-63-38.6178.8-67.1-14.7000111.4R95 M97 L102 R103R95-D99 PolarHBondContact O-N 3.32Å; M97-D99 VanDerWaalsContact C-N 3.34Å; M97-D99 PolarHBondContact O-N 3.48Å; D99-L102 PolarHBondContact O-N 2.92Å; D99-R103 WeakPolarHBondContact O-CB 3.12Å; D99-R103 PolarHBondContact O-N 3.24Å
100N91.7Very high91.7Very high27 Ų2753.4 Ų53.414%0.14430%0.302CS..Hα-helixtrans-65.2-40.3174.2-159.649.9000112.7D70 I73 N96 M97 R98 R103 V104D70-N100 PolarHBondContact OD1-ND2 3.12Å; I73-N100 HydrophobicContact CD1-CB 4.4Å; I73-N100 VanDerWaalsContact CD1-ND2 3.28Å; I73-N100 WeakPolarHBondContact CD1-ND2 3.47Å; N96-N100 WeakPolarHBondContact O-CB 3.44Å; N96-N100 PolarHBondContact O-N 3.39Å; M97-N100 PolarHBondContact O-N 2.94Å; R98-N100 VanDerWaalsContact C-N 3.29Å; R98-N100 PolarHBondContact O-N 2.82Å; N100-R103 PolarHBondContact O-N 3.18Å; N100-R103 PolarHBondContact OD1-NE 3.41Å; N100-R103 PolarHBondContact OD1-NH2 3.22Å; N100-V104 WeakPolarHBondContact O-CB 3.42Å; N100-V104 VanDerWaalsContact O-CG2 3.31Å; N100-V104 WeakPolarHBondContact O-CG2 3.29Å; N100-V104 PolarHBondContact O-N 3.35Å
101I94.2Very high90.4Very high0 Ų055 Ų550%031%0.314CS..Hα-helixtrans-57.5-51.2175-67.1164.3000110L10 I73 F79 V81 M97 R98 R103 V104 K105 V115 I117L10-I101 HydrophobicContact CD1-CD1 3.76Å; L10-I101 HydrophobicContact CD1-CG1 3.95Å; I73-I101 HydrophobicContact CD1-CG1 4.08Å; I73-I101 HydrophobicContact CG1-CG1 4.27Å; I73-I101 HydrophobicContact CG2-CB 4.39Å; I73-I101 HydrophobicContact CG2-CG1 4.37Å; I73-I101 HydrophobicContact CG2-CG2 4.38Å; F79-I101 HydrophobicContact CB-CD1 4.19Å; F79-I101 HydrophobicContact CD1-CD1 4.05Å; F79-I101 HydrophobicContact CD1-CG1 4.28Å; F79-I101 HydrophobicContact CD2-CG2 4.17Å; F79-I101 HydrophobicContact CE1-CG1 4.45Å; F79-I101 HydrophobicContact CE2-CG2 4.08Å; F79-I101 HydrophobicContact CG-CD1 4.03Å; F79-I101 HydrophobicContact CZ-CG2 4.35Å; V81-I101 HydrophobicContact CG2-CD1 3.94Å; M97-I101 VanDerWaalsContact O-CG1 3.32Å; M97-I101 WeakPolarHBondContact O-CG1 3.42Å; M97-I101 PolarHBondContact O-N 3.33Å; R98-I101 WeakPolarHBondContact O-CB 3.19Å; R98-I101 PolarHBondContact O-N 3.48Å; R98-I101 VanDerWaalsContact O-N 3.14Å; I101-R103 PolarHBondContact O-N 3.28Å; I101-V104 PolarHBondContact O-N 3.23Å; I101-K105 HydrophobicContact CG2-CG 4.36Å; I101-K105 VanDerWaalsContact O-CB 3.25Å; I101-K105 WeakPolarHBondContact O-CB 3.36Å; I101-K105 WeakPolarHBondContact O-CG 3.11Å; I101-K105 PolarHBondContact O-N 2.71Å; I101-V115 HydrophobicContact CG2-CB 4.21Å; I101-V115 HydrophobicContact CG2-CG1 3.69Å; I101-V115 HydrophobicContact CG2-CG2 4.37Å; I101-I117 HydrophobicContact CD1-CD1 4.26Å; I101-I117 HydrophobicContact CG2-CD1 4.33Å
102L94.2Very high88.7Confident17 Ų1762.3 Ų62.39%0.08936%0.358CS..Hα-helixtrans-60.7-47.5-179.8-65.9178.7000111.6R98 D99 V104 K105 G106 L107 P109R98-L102 WeakPolarHBondContact O-CG 3.37Å; R98-L102 PolarHBondContact O-N 3.13Å; D99-L102 PolarHBondContact O-N 2.92Å; L102-V104 PolarHBondContact O-N 3.43Å; L102-K105 CarbonylContact O-C 3.57Å; L102-K105 PolarHBondContact O-N 3.32Å; L102-G106 PolarHBondContact O-N 3.24Å; L102-L107 CarbonylContact C-O 3.49Å; L102-L107 HydrophobicContact CD2-CB 4.07Å; L102-L107 HydrophobicContact CD2-CD1 4.47Å; L102-L107 PolarHBondContact O-N 3.28Å; L102-P109 HydrophobicContact CD1-CG 4.1Å
103R93.3Very high87.3Confident149 Ų14968 Ų6856%0.56238%0.377SS*.Hα-helixtrans-56.3-52.2178.5-176.8-175.767.5830.2112D70 D99 N100 I101 K105 G106D70-R103 VanDerWaalsContact CG-NH2 3.29Å; D70-R103 IonicContact OD1-NH2 3.44Å; D70-R103 PolarHBondContact OD1-NH2 3.16Å; D70-R103 IonicContact OD2-CZ 3.74Å; D70-R103 IonicContact OD2-NH1 3.12Å; D70-R103 IonicContact OD2-NH2 2.68Å; D70-R103 PolarHBondContact OD2-NH2 3.06Å; D99-R103 WeakPolarHBondContact O-CB 3.12Å; D99-R103 PolarHBondContact O-N 3.24Å; N100-R103 PolarHBondContact O-N 3.18Å; N100-R103 PolarHBondContact OD1-NE 3.41Å; N100-R103 PolarHBondContact OD1-NH2 3.22Å; I101-R103 PolarHBondContact O-N 3.28Å; R103-K105 VanDerWaalsContact C-N 3.27Å; R103-K105 PolarHBondContact O-N 3.01Å; R103-G106 PolarHBondContact O-N 3.18Å; R103-G106 VanDerWaalsContact O-N 3.11Å
104V93.6Very high86.5Confident27 Ų2769.6 Ų69.616%0.16439%0.391CS..Hα-helixtrans-67.5-31.1-178.4172.90000111.7D70 I73 R74 N100 I101 L102 G106D70-V104 HydrophobicContact CB-CG2 3.98Å; D70-V104 VanDerWaalsContact CG-CG2 3.43Å; D70-V104 WeakPolarHBondContact O-CG1 3.45Å; D70-V104 VanDerWaalsContact OD1-CG2 3.3Å; D70-V104 WeakPolarHBondContact OD1-CG2 3.3Å; I73-V104 HydrophobicContact CB-CB 4.26Å; I73-V104 HydrophobicContact CB-CG1 3.96Å; I73-V104 HydrophobicContact CG2-CB 3.62Å; I73-V104 HydrophobicContact CG2-CG1 3.62Å; I73-V104 HydrophobicContact CG2-CG2 4.33Å; R74-V104 HydrophobicContact CB-CG1 3.99Å; N100-V104 WeakPolarHBondContact O-CB 3.42Å; N100-V104 VanDerWaalsContact O-CG2 3.31Å; N100-V104 WeakPolarHBondContact O-CG2 3.29Å; N100-V104 PolarHBondContact O-N 3.35Å; I101-V104 PolarHBondContact O-N 3.23Å; L102-V104 PolarHBondContact O-N 3.43Å; V104-G106 VanDerWaalsContact C-N 3.25Å; V104-G106 PolarHBondContact O-N 3.43Å
105K93.7Very high86.1Confident63 Ų6370.5 Ų70.527%0.27440%0.396SS..THydrogen-bonded Turntrans-80.8-2.2175.3-67.6-68.9-171.5-168.30113.8I73 R74 G76 I101 L102 R103 L107 V115I73-K105 HydrophobicContact CG2-CG 4.31Å; I73-K105 WeakPolarHBondContact O-CE 3.41Å; I73-K105 PolarHBondContact O-NZ 3.41Å; R74-K105 PolarHBondContact O-NZ 2.93Å; G76-K105 WeakPolarHBondContact O-CE 3.45Å; G76-K105 PolarHBondContact O-NZ 2.91Å; I101-K105 HydrophobicContact CG2-CG 4.36Å; I101-K105 VanDerWaalsContact O-CB 3.25Å; I101-K105 WeakPolarHBondContact O-CB 3.36Å; I101-K105 WeakPolarHBondContact O-CG 3.11Å; I101-K105 PolarHBondContact O-N 2.71Å; L102-K105 CarbonylContact O-C 3.57Å; L102-K105 PolarHBondContact O-N 3.32Å; R103-K105 VanDerWaalsContact C-N 3.27Å; R103-K105 PolarHBondContact O-N 3.01Å; K105-L107 VanDerWaalsContact C-N 3.29Å; K105-L107 HydrophobicContact CB-CD1 4.3Å; K105-L107 HydrophobicContact CB-CG 4.25Å; K105-L107 PolarHBondContact O-N 2.81Å; K105-V115 HydrophobicContact CB-CG2 3.8Å; K105-V115 HydrophobicContact CD-CG2 4.32Å; K105-V115 HydrophobicContact CG-CG2 3.64Å
106G92.3Very high86.1Confident67 Ų6767 Ų6769%0.69138%0.384SS*.THydrogen-bonded Turntrans65.832.1-179.200000112.9L102 R103 V104L102-G106 PolarHBondContact O-N 3.24Å; R103-G106 PolarHBondContact O-N 3.18Å; R103-G106 VanDerWaalsContact O-N 3.11Å; V104-G106 VanDerWaalsContact C-N 3.25Å; V104-G106 PolarHBondContact O-N 3.43Å
107L89.3Confident86.3Confident32 Ų3262 Ų6217%0.16836%0.357CS..  trans-113151179.6-62.4178.8000110.9L102 K105 K113 V115L102-L107 CarbonylContact C-O 3.49Å; L102-L107 HydrophobicContact CD2-CB 4.07Å; L102-L107 HydrophobicContact CD2-CD1 4.47Å; L102-L107 PolarHBondContact O-N 3.28Å; K105-L107 VanDerWaalsContact C-N 3.29Å; K105-L107 HydrophobicContact CB-CD1 4.3Å; K105-L107 HydrophobicContact CB-CG 4.25Å; K105-L107 PolarHBondContact O-N 2.81Å; L107-K113 HydrophobicContact CD2-CB 3.84Å; L107-V115 HydrophobicContact CD1-CB 4.48Å; L107-V115 HydrophobicContact CD1-CG2 3.43Å; L107-V115 VanDerWaalsContact CD1-CG2 3.43Å
108Q84.3Confident86.7Confident152 Ų15261.6 Ų61.671%0.7136%0.355SS*.  trans-104152.6171.9-63.6-177-2.800110.4G110 S111Q108-G110 PolarHBondContact O-N 3.01Å; Q108-S111 PolarHBondContact N-OG 2.87Å; Q108-S111 VanDerWaalsContact O-CB 3.23Å; Q108-S111 WeakPolarHBondContact O-CB 3.27Å; Q108-S111 PolarHBondContact O-N 2.88Å; Q108-S111 PolarHBondContact O-OG 2.79Å
109P77.4Confident86.9Confident92 Ų9259.7 Ų59.760%0.59735%0.348SS*.THydrogen-bonded Turntrans-51.4134.5169-25.434.8000111.3L102 S111L102-P109 HydrophobicContact CD1-CG 4.1Å; P109-S111 VanDerWaalsContact C-N 3.29Å; P109-S111 PolarHBondContact O-N 3.44Å
110G73.1Confident87.2Confident82 Ų8255.9 Ų55.985%0.84533%0.328SS*.THydrogen-bonded Turntrans785.8-17700000115.4Q108Q108-G110 PolarHBondContact O-N 3.01Å
111S69.5Low87.6Confident46 Ų4654.6 Ų54.632%0.32232%0.321SS..  trans-58.5140173.1-65.80000111.5Q108 P109 K113Q108-S111 PolarHBondContact N-OG 2.87Å; Q108-S111 VanDerWaalsContact O-CB 3.23Å; Q108-S111 WeakPolarHBondContact O-CB 3.27Å; Q108-S111 PolarHBondContact O-N 2.88Å; Q108-S111 PolarHBondContact O-OG 2.79Å; P109-S111 VanDerWaalsContact C-N 3.29Å; P109-S111 PolarHBondContact O-N 3.44Å; S111-K113 VanDerWaalsContact CB-O 3.29Å; S111-K113 WeakPolarHBondContact CB-O 3.19Å; S111-K113 CarbonylContact O-C 3.59Å; S111-K113 PolarHBondContact O-N 2.95Å
112V64.1Low87.8Confident153 Ų15354.7 Ų54.793%0.92732%0.321SS*.SBendtrans-59.1-34.8173.31780000111.4
113K67.1Low88Confident164 Ų16456.6 Ų56.671%0.71333%0.329SS*.SBendtrans-79.2120.7167.3-69.4-177.9-179.81780108.5L107 S111L107-K113 HydrophobicContact CD2-CB 3.84Å; S111-K113 VanDerWaalsContact CB-O 3.29Å; S111-K113 WeakPolarHBondContact CB-O 3.19Å; S111-K113 CarbonylContact O-C 3.59Å; S111-K113 PolarHBondContact O-N 2.95Å
114S79.7Confident88.2Confident64 Ų6450 Ų5045%0.44831%0.306SS..PPolyproline II helixtrans-102.3159.2172.359.30000111.2L175S114-L175 VanDerWaalsContact O-CD1 3.27Å; S114-L175 WeakPolarHBondContact O-CD1 3.49Å; S114-L175 VanDerWaalsContact OG-CD1 3.29Å; S114-L175 WeakPolarHBondContact OG-CD1 3.45Å; S114-L175 WeakPolarHBondContact OG-CD2 3.01Å
115V86.4Confident88.5Confident18 Ų1849.2 Ų49.211%0.10930%0.301CS..PPolyproline II helixtrans-97.3130.1164.1168.60000106.7F79 I101 K105 L107 I117F79-V115 HydrophobicContact CD2-CG1 3.29Å; F79-V115 HydrophobicContact CE2-CG1 3.32Å; I101-V115 HydrophobicContact CG2-CB 4.21Å; I101-V115 HydrophobicContact CG2-CG1 3.69Å; I101-V115 HydrophobicContact CG2-CG2 4.37Å; K105-V115 HydrophobicContact CB-CG2 3.8Å; K105-V115 HydrophobicContact CD-CG2 4.32Å; K105-V115 HydrophobicContact CG-CG2 3.64Å; L107-V115 HydrophobicContact CD1-CB 4.48Å; L107-V115 HydrophobicContact CD1-CG2 3.43Å; L107-V115 VanDerWaalsContact CD1-CG2 3.43Å; V115-I117 HydrophobicContact CG1-CG1 4.16Å; V115-I117 PolarHBondContact O-N 3.02Å
116P94.8Very high88.7Confident9 Ų948.7 Ų48.76%0.05830%0.301CS..  trans-59.5107.8175.7-22.132.1000110.3Q77 C78 F79 Q171 L172 L175Q77-P116 WeakPolarHBondContact O-CD 3.36Å; C78-P116 CarbonylContact C-O 3.5Å; C78-P116 WeakPolarHBondContact CA-O 3.28Å; C78-P116 HydrophobicContact CB-CB 3.71Å; C78-P116 HydrophobicContact CB-CG 4.41Å; F79-P116 PolarHBondContact N-O 2.84Å; P116-Q171 HydrophobicContact CB-CB 3.86Å; P116-L172 HydrophobicContact CB-CB 4.15Å; P116-L172 VanDerWaalsContact CG-CA 3.49Å; P116-L172 HydrophobicContact CG-CB 3.86Å; P116-L172 HydrophobicContact CG-CD1 3.85Å; P116-L172 HydrophobicContact CG-CG 4.47Å; P116-L175 HydrophobicContact CG-CD1 3.65Å
117I96.8Very high88.9Confident12 Ų1245.9 Ų45.96%0.06227%0.271CS..EExtended strand (participates in β ladder)trans-122.2140.1176.7-67.7170.7000106.6F79 V81 R98 I101 V115 W146 C148F79-I117 HydrophobicContact CB-CG1 4.23Å; F79-I117 CarbonylContact O-C 3.59Å; F79-I117 WeakPolarHBondContact O-CA 3.49Å; V81-I117 HydrophobicContact CB-CG2 4.35Å; V81-I117 HydrophobicContact CG2-CG2 3.84Å; R98-I117 HydrophobicContact CG-CD1 4.24Å; I101-I117 HydrophobicContact CD1-CD1 4.26Å; I101-I117 HydrophobicContact CG2-CD1 4.33Å; V115-I117 HydrophobicContact CG1-CG1 4.16Å; V115-I117 PolarHBondContact O-N 3.02Å; I117-W146 HydrophobicContact CG2-CE3 4.45Å; I117-C148 HydrophobicContact CB-CB 4.43Å; I117-C148 VanDerWaalsContact O-CB 3.29Å; I117-C148 WeakPolarHBondContact O-CB 3.15Å
118V98.6Very high89.3Confident0 Ų051 Ų510%030%0.298CS..EExtended strand (participates in β ladder)trans-119.7126.31621770000107.2F79 L80 V81 V120 P149 L151 E167 A168 Q171F79-V118 PolarHBondContact O-N 2.49Å; L80-V118 HydrophobicContact CD2-CB 3.74Å; L80-V118 HydrophobicContact CD2-CG1 4.26Å; L80-V118 HydrophobicContact CD2-CG2 4.39Å; V81-V118 PolarHBondContact N-O 2.94Å; V118-V120 HydrophobicContact CG1-CG2 3.94Å; V118-P149 HydrophobicContact CG1-CB 4.44Å; V118-P149 HydrophobicContact CG2-CB 4.48Å; V118-P149 HydrophobicContact CG2-CG 4.44Å; V118-L151 HydrophobicContact CG1-CD1 3.45Å; V118-L151 VanDerWaalsContact CG1-CD1 3.45Å; V118-E167 HydrophobicContact CG2-CB 4.21Å; V118-E167 HydrophobicContact CG2-CG 3.96Å; V118-A168 HydrophobicContact CG2-CB 3.92Å; V118-Q171 HydrophobicContact CG2-CG 4.33Å
119L98.7Very high89.9Confident0 Ų049.1 Ų49.10%029%0.292CS..EExtended strand (participates in β ladder)trans-83.6125.3175.2-178.663.5000108.8V81 Y83 I94 L142 A143 W146 P149 H150 L151V81-L119 HydrophobicContact CG1-CD1 4.38Å; Y83-L119 HydrophobicContact CD1-CD1 3.95Å; Y83-L119 HydrophobicContact CD1-CG 4.47Å; Y83-L119 HydrophobicContact CE1-CD1 3.96Å; Y83-L119 HydrophobicContact CE1-CD2 4.44Å; Y83-L119 HydrophobicContact CE1-CG 3.99Å; I94-L119 HydrophobicContact CD1-CD1 3.4Å; I94-L119 VanDerWaalsContact CD1-CD1 3.4Å; L119-L142 HydrophobicContact CD2-CB 4.49Å; L119-L142 HydrophobicContact CD2-CD2 4.19Å; L119-L142 HydrophobicContact CD2-CG 4.46Å; L119-A143 HydrophobicContact CD2-CB 4.19Å; L119-W146 HydrophobicContact CD1-CZ3 4.11Å; L119-P149 PolarHBondContact N-O 2.84Å; L119-H150 HydrophobicContact CB-CB 4.4Å; L119-H150 VanDerWaalsContact O-CA 3.29Å; L119-H150 WeakPolarHBondContact O-CA 3.25Å; L119-H150 PolarHBondContact O-CD2 3.43Å; L119-L151 PolarHBondContact O-N 2.88Å
120V98.9Very high90.9Very high0 Ų048 Ų480%030%0.298CS..EExtended strand (participates in β ladder)trans-123.6111.1-172.4-178.10000110.7L20 L80 V81 V82 Y83 V118 N122 L151 T153 A164L20-V120 HydrophobicContact CD1-CG1 4.02Å; L80-V120 HydrophobicContact CB-CG2 4.42Å; L80-V120 HydrophobicContact CD2-CG2 4.1Å; V81-V120 PolarHBondContact O-N 3.4Å; V82-V120 WeakPolarHBondContact CA-O 3.19Å; V82-V120 HydrophobicContact CG1-CB 4.44Å; V82-V120 HydrophobicContact CG1-CG1 4.33Å; V82-V120 HydrophobicContact CG2-CB 4.18Å; Y83-V120 VanDerWaalsContact CD1-O 3.22Å; Y83-V120 WeakPolarHBondContact CD1-O 3.13Å; Y83-V120 PolarHBondContact N-O 3.01Å; V118-V120 HydrophobicContact CG1-CG2 3.94Å; V120-N122 PolarHBondContact O-N 3.4Å; V120-L151 CarbonylContact C-O 3.56Å; V120-L151 WeakPolarHBondContact CA-O 3.49Å; V120-T153 HydrophobicContact CG1-CG2 3.69Å; V120-T153 WeakPolarHBondContact CG1-OG1 3.26Å; V120-A164 HydrophobicContact CG2-CB 4.12Å
121G98.9Very high92.1Very high0 Ų049.5 Ų49.50%028%0.282CS..EExtended strand (participates in β ladder)trans-879717000000110.3L85 L151 E152 T153L85-G121 VanDerWaalsContact CD1-O 3.27Å; L85-G121 WeakPolarHBondContact CD1-O 3.15Å; G121-L151 PolarHBondContact N-O 3.08Å; G121-E152 CarbonylContact O-C 3.53Å; G121-E152 WeakPolarHBondContact O-CA 3.5Å; G121-T153 PolarHBondContact O-N 3.45Å
122N98.9Very high93.5Very high2 Ų251 Ų511%0.01128%0.281CS..EExtended strand (participates in β ladder)trans-89.1169.7-176.7-168.236.4000112.9V15 L20 V82 Y83 L85 V120 T153 A155V15-N122 PolarHBondContact O-ND2 3.45Å; L20-N122 HydrophobicContact CD1-CB 4.08Å; V82-N122 HydrophobicContact CG1-CB 3.8Å; Y83-N122 PolarHBondContact O-N 2.96Å; L85-N122 WeakPolarHBondContact CG-O 3.11Å; L85-N122 PolarHBondContact N-O 2.95Å; V120-N122 PolarHBondContact O-N 3.4Å; N122-T153 CarbonylContact C-O 3.56Å; N122-T153 WeakPolarHBondContact CA-O 3.45Å; N122-T153 WeakPolarHBondContact CA-OG1 3.45Å; N122-T153 PolarHBondContact OD1-O 2.81Å; N122-T153 PolarHBondContact OD1-OG1 3.3Å; N122-A155 PolarHBondContact OD1-N 2.87Å
123K98.4Very high95.1Very high57 Ų5748.9 Ų48.925%0.24826%0.261CS..  trans65.341.6-177.4-46.5-166-171.4177.80112.9G14 N84 D125 L126 A127 T153G14-K123 WeakPolarHBondContact O-CE 3.29Å; G14-K123 PolarHBondContact O-NZ 3.38Å; N84-K123 WeakPolarHBondContact OD1-CB 3.5Å; N84-K123 WeakPolarHBondContact OD1-CD 3.43Å; K123-D125 WeakPolarHBondContact CA-OD1 3.22Å; K123-D125 PolarHBondContact O-N 2.65Å; K123-D125 VanDerWaalsContact O-N 3.16Å; K123-L126 HydrophobicContact CB-CB 4.45Å; K123-L126 HydrophobicContact CB-CD1 4.06Å; K123-L126 HydrophobicContact CB-CG 4.18Å; K123-L126 HydrophobicContact CD-CD1 3.78Å; K123-L126 WeakPolarHBondContact O-CB 3.34Å; K123-L126 PolarHBondContact O-N 3.37Å; K123-A127 PolarHBondContact O-N 2.67Å; K123-T153 PolarHBondContact N-O 3.35Å
124A98.7Very high96.6Very high9 Ų941.1 Ų41.17%0.07423%0.228CC..Hα-helixtrans-56.2-27.4173.700000112.4L85 L126 A127 L128 T153L85-A124 HydrophobicContact CD1-CB 3.91Å; A124-L126 VanDerWaalsContact C-N 3.28Å; A124-L126 PolarHBondContact O-N 3.42Å; A124-A127 PolarHBondContact O-N 3.37Å; A124-A127 VanDerWaalsContact O-N 3.16Å; A124-L128 WeakPolarHBondContact O-CB 3.23Å; A124-L128 VanDerWaalsContact O-CG 3.27Å; A124-L128 WeakPolarHBondContact O-CG 3.47Å; A124-L128 PolarHBondContact O-N 2.6Å; A124-T153 WeakPolarHBondContact CB-O 3.35Å; A124-T153 PolarHBondContact N-O 2.68Å
125D98.3Very high97.5Very high12 Ų1242.3 Ų42.36%0.06423%0.229CC..Hα-helixtrans-58.5-36.417259-72.6000112.7K123 N129 S154 R156 D157K123-D125 WeakPolarHBondContact CA-OD1 3.22Å; K123-D125 PolarHBondContact O-N 2.65Å; K123-D125 VanDerWaalsContact O-N 3.16Å; D125-N129 WeakPolarHBondContact O-CB 3.4Å; D125-N129 PolarHBondContact O-N 3.26Å; D125-N129 PolarHBondContact O-ND2 3.06Å; D125-S154 PolarHBondContact OD1-OG 3.22Å; D125-R156 VanDerWaalsContact OD2-CD 3.24Å; D125-R156 WeakPolarHBondContact OD2-CD 3.41Å; D125-R156 IonicContact OD2-NH1 3.62Å; D125-R156 PolarHBondContact OD2-NH1 3.24Å; D125-D157 VanDerWaalsContact CB-OD2 3.26Å; D125-D157 WeakPolarHBondContact CB-OD2 2.81Å
126L98.4Very high98Very high52 Ų5243.9 Ų43.927%0.27224%0.24SC..Hα-helixtrans-75.2-41.4173.7-59.6-177.3000111.2A86 K123 A124 L128 N129 G130 H131A86-L126 HydrophobicContact CB-CB 4.07Å; A86-L126 HydrophobicContact CB-CD1 4.24Å; K123-L126 HydrophobicContact CB-CB 4.45Å; K123-L126 HydrophobicContact CB-CD1 4.06Å; K123-L126 HydrophobicContact CB-CG 4.18Å; K123-L126 HydrophobicContact CD-CD1 3.78Å; K123-L126 WeakPolarHBondContact O-CB 3.34Å; K123-L126 PolarHBondContact O-N 3.37Å; A124-L126 VanDerWaalsContact C-N 3.28Å; A124-L126 PolarHBondContact O-N 3.42Å; L126-L128 PolarHBondContact O-N 2.91Å; L126-N129 CarbonylContact O-C 3.46Å; L126-N129 PolarHBondContact O-N 2.96Å; L126-N129 VanDerWaalsContact O-N 3.11Å; L126-G130 PolarHBondContact O-N 2.68Å; L126-H131 HydrophobicContact CB-CB 4.17Å; L126-H131 WeakPolarHBondContact O-CB 3.33Å; L126-H131 PolarHBondContact O-N 3.17Å
127A97.6Very high98.2Very high7 Ų749.7 Ų49.76%0.05827%0.266CS..Iπ-helixtrans-61.8-42.1-179.200000112.3L85 K123 A124 N129 G130 R132L85-A127 HydrophobicContact CB-CB 3.85Å; L85-A127 HydrophobicContact CD1-CB 4.13Å; K123-A127 PolarHBondContact O-N 2.67Å; A124-A127 PolarHBondContact O-N 3.37Å; A124-A127 VanDerWaalsContact O-N 3.16Å; A127-N129 VanDerWaalsContact C-N 3.25Å; A127-N129 PolarHBondContact O-N 2.95Å; A127-G130 PolarHBondContact O-N 3.01Å; A127-R132 HydrophobicContact CB-CB 3.95Å; A127-R132 HydrophobicContact CB-CG 4.4Å
128L96.7Very high98.2Very high141 Ų14151.8 Ų51.874%0.73828%0.275SS*.Iπ-helixtrans-66.5-27.6175.5-69.9171000112.4A124 L126 G130A124-L128 WeakPolarHBondContact O-CB 3.23Å; A124-L128 VanDerWaalsContact O-CG 3.27Å; A124-L128 WeakPolarHBondContact O-CG 3.47Å; A124-L128 PolarHBondContact O-N 2.6Å; L126-L128 PolarHBondContact O-N 2.91Å; L128-G130 VanDerWaalsContact C-N 3.25Å; L128-G130 PolarHBondContact O-N 3.14Å
129N97.5Very high98.2Very high111 Ų11151.8 Ų51.859%0.59428%0.275SS*.Iπ-helixtrans-89.724.1176.6-71.7-46.8000113.2D125 L126 A127D125-N129 WeakPolarHBondContact O-CB 3.4Å; D125-N129 PolarHBondContact O-N 3.26Å; D125-N129 PolarHBondContact O-ND2 3.06Å; L126-N129 CarbonylContact O-C 3.46Å; L126-N129 PolarHBondContact O-N 2.96Å; L126-N129 VanDerWaalsContact O-N 3.11Å; A127-N129 VanDerWaalsContact C-N 3.25Å; A127-N129 PolarHBondContact O-N 2.95Å
130G97.7Very high98.2Very high69 Ų6957.2 Ų57.271%0.71130%0.301SS*.Iπ-helixtrans84.17.2172.200000115.4L126 A127 L128L126-G130 PolarHBondContact O-N 2.68Å; A127-G130 PolarHBondContact O-N 3.01Å; L128-G130 VanDerWaalsContact C-N 3.25Å; L128-G130 PolarHBondContact O-N 3.14Å
131H98.2Very high98.2Very high113 Ų11360.3 Ų60.352%0.52332%0.32SS..Iπ-helixtrans-95.613.2177.2-58-72.3000113.7A86 L126 E133A86-H131 VanDerWaalsContact CA-O 3.24Å; A86-H131 WeakPolarHBondContact CA-O 3.22Å; A86-H131 HydrophobicContact CB-CB 4.03Å; A86-H131 WeakPolarHBondContact CB-O 3.27Å; L126-H131 HydrophobicContact CB-CB 4.17Å; L126-H131 WeakPolarHBondContact O-CB 3.33Å; L126-H131 PolarHBondContact O-N 3.17Å; H131-E133 PolarHBondContact O-N 3.5Å
132R98.5Very high98.1Very high77 Ų7760.5 Ų60.529%0.29132%0.321SS..  trans-64.9126.9-179.8-179.6175.1-72.5-85.50.7110.6A127 I134 E152A127-R132 HydrophobicContact CB-CB 3.95Å; A127-R132 HydrophobicContact CB-CG 4.4Å; R132-I134 VanDerWaalsContact CD-O 3.31Å; R132-I134 WeakPolarHBondContact CD-O 3.1Å; R132-I134 VanDerWaalsContact CG-O 3.22Å; R132-I134 WeakPolarHBondContact CG-O 3.46Å; R132-I134 PolarHBondContact NH1-O 3.22Å; R132-E152 IonicContact CZ-OE1 2.7Å; R132-E152 IonicContact CZ-OE2 3.87Å; R132-E152 IonicContact NH1-OE1 3.66Å; R132-E152 PolarHBondContact NH1-OE1 2.81Å; R132-E152 IonicContact NH1-OE2 2.68Å; R132-E152 IonicContact NH2-OE1 3.73Å; R132-E152 PolarHBondContact NH2-OE1 2.83Å; R132-E152 IonicContact NH2-OE2 3.45Å; R132-E152 PolarHBondContact NH2-OE2 3.35Å
133E98.6Very high98Very high110 Ų11060.6 Ų60.651%0.51432%0.322SS..  trans-112.7-15.6174.3-69.1-172.5-17100113.3L85 S87 R88 H131L85-E133 PolarHBondContact O-N 3.31Å; S87-E133 VanDerWaalsContact CA-OE2 3.27Å; S87-E133 WeakPolarHBondContact CA-OE2 3.44Å; R88-E133 HydrophobicContact CB-CB 4.42Å; R88-E133 WeakPolarHBondContact CB-OE2 3.45Å; R88-E133 PolarHBondContact N-OE2 3.45Å; H131-E133 PolarHBondContact O-N 3.5Å
134I98.5Very high97.8Very high1 Ų161.2 Ų61.21%0.00534%0.337CS..SBendtrans-107.9121.1179.7-66.372000108.9Y83 L85 F91 R132Y83-I134 HydrophobicContact CD2-CG1 4.35Å; Y83-I134 HydrophobicContact CE2-CB 4.27Å; Y83-I134 HydrophobicContact CE2-CG1 4.03Å; Y83-I134 HydrophobicContact CE2-CG2 4.16Å; L85-I134 WeakPolarHBondContact O-CD1 3.05Å; L85-I134 PolarHBondContact O-N 2.89Å; F91-I134 HydrophobicContact CB-CD1 4.12Å; F91-I134 HydrophobicContact CB-CG1 3.67Å; F91-I134 HydrophobicContact CD1-CG1 4.18Å; F91-I134 HydrophobicContact CD1-CG2 4.42Å; F91-I134 HydrophobicContact CD2-CG1 4.36Å; F91-I134 HydrophobicContact CD2-CG2 4.33Å; F91-I134 HydrophobicContact CE1-CG2 4.48Å; F91-I134 HydrophobicContact CE2-CG2 4.38Å; F91-I134 HydrophobicContact CG-CG1 3.82Å; F91-I134 HydrophobicContact CG-CG2 4.33Å; F91-I134 HydrophobicContact CZ-CG2 4.46Å; R132-I134 VanDerWaalsContact CD-O 3.31Å; R132-I134 WeakPolarHBondContact CD-O 3.1Å; R132-I134 VanDerWaalsContact CG-O 3.22Å; R132-I134 WeakPolarHBondContact CG-O 3.46Å; R132-I134 PolarHBondContact NH1-O 3.22Å
135D97.9Very high97.6Very high89 Ų8966.8 Ų66.848%0.47636%0.362SS..  trans-62.3127.5170.7-172.2-30.9000109.7Q137 E138 S139D135-Q137 PolarHBondContact O-N 3.27Å; D135-Q137 WeakPolarHBondContact OD1-CB 3.32Å; D135-Q137 PolarHBondContact OD1-N 3.44Å; D135-E138 HydrophobicContact CB-CB 4.11Å; D135-E138 WeakPolarHBondContact O-CB 3.27Å; D135-E138 PolarHBondContact O-N 2.72Å; D135-S139 PolarHBondContact O-N 3.37Å
136P97.7Very high97.3Very high51 Ų5167.4 Ų67.433%0.33136%0.363SS..Hα-helixtrans-49.7-42.9175.5-27.835.8000113E138 S139 E140P136-E138 PolarHBondContact O-N 3.23Å; P136-S139 PolarHBondContact O-N 2.92Å; P136-S139 PolarHBondContact O-OG 2.99Å; P136-E140 WeakPolarHBondContact O-CB 3.29Å; P136-E140 VanDerWaalsContact O-CG 3.29Å; P136-E140 WeakPolarHBondContact O-CG 3.1Å; P136-E140 PolarHBondContact O-N 3.01Å
137Q98.2Very high97Very high131 Ų13170.5 Ų70.561%0.61239%0.388SS*.Hα-helixtrans-62.4-34.5-179.5-173.6177.210.200111.7D135 T141D135-Q137 PolarHBondContact O-N 3.27Å; D135-Q137 WeakPolarHBondContact OD1-CB 3.32Å; D135-Q137 PolarHBondContact OD1-N 3.44Å; Q137-T141 VanDerWaalsContact O-CB 3.26Å; Q137-T141 WeakPolarHBondContact O-CB 3.28Å; Q137-T141 PolarHBondContact O-N 2.94Å; Q137-T141 PolarHBondContact O-OG1 3.17Å
138E98.2Very high96.9Very high55 Ų5571 Ų7126%0.25739%0.391SS..Hα-helixtrans-67.6-46177.7-173.5178.3-175.900111.3R88 F91 D135 P136 T141 L142R88-E138 IonicContact CZ-OE1 2.72Å; R88-E138 VanDerWaalsContact CZ-OE1 3.3Å; R88-E138 IonicContact CZ-OE2 3.3Å; R88-E138 VanDerWaalsContact CZ-OE2 3.26Å; R88-E138 IonicContact NH1-OE1 3.42Å; R88-E138 PolarHBondContact NH1-OE1 2.88Å; R88-E138 IonicContact NH1-OE2 3.37Å; R88-E138 PolarHBondContact NH1-OE2 3.45Å; R88-E138 IonicContact NH2-OE1 3.23Å; R88-E138 PolarHBondContact NH2-OE1 2.91Å; R88-E138 IonicContact NH2-OE2 2.6Å; R88-E138 PolarHBondContact NH2-OE2 2.8Å; F91-E138 HydrophobicContact CE1-CG 3.8Å; F91-E138 WeakPolarHBondContact CE1-OE1 3.2Å; F91-E138 HydrophobicContact CZ-CG 4.15Å; D135-E138 HydrophobicContact CB-CB 4.11Å; D135-E138 WeakPolarHBondContact O-CB 3.27Å; D135-E138 PolarHBondContact O-N 2.72Å; P136-E138 PolarHBondContact O-N 3.23Å; E138-T141 PolarHBondContact O-N 2.95Å; E138-L142 PolarHBondContact O-N 2.83Å
139S98.2Very high96.9Very high0 Ų065.7 Ų65.70%037%0.365CS..Hα-helixtrans-65.6-39.7177.346.90000113.1Y83 D135 P136 L142 A143 H150Y83-S139 WeakPolarHBondContact OH-CB 3.39Å; D135-S139 PolarHBondContact O-N 3.37Å; P136-S139 PolarHBondContact O-N 2.92Å; P136-S139 PolarHBondContact O-OG 2.99Å; S139-L142 PolarHBondContact O-N 2.94Å; S139-A143 WeakPolarHBondContact O-CB 3.36Å; S139-A143 PolarHBondContact O-N 3.44Å; S139-H150 PolarHBondContact OG-CE1 3.49Å; S139-H150 VanDerWaalsContact OG-CE1 3.28Å
140E98.1Very high97Very high114 Ų11462.5 Ų62.553%0.53335%0.347SS..Hα-helixtrans-64-42.8175.1-73.1171.4-170.100111.5P136 L142 A143 A144P136-E140 WeakPolarHBondContact O-CB 3.29Å; P136-E140 VanDerWaalsContact O-CG 3.29Å; P136-E140 WeakPolarHBondContact O-CG 3.1Å; P136-E140 PolarHBondContact O-N 3.01Å; E140-L142 VanDerWaalsContact C-N 3.33Å; E140-L142 PolarHBondContact O-N 2.96Å; E140-A143 PolarHBondContact O-N 2.7Å; E140-A144 WeakPolarHBondContact O-CB 3.19Å; E140-A144 PolarHBondContact O-N 2.89Å
141T98.3Very high97Very high65 Ų6561 Ų6140%0.39932%0.322SS..Hα-helixtrans-60.7-43.9175.6-62.10000110.9Q137 E138 A144 Q145Q137-T141 VanDerWaalsContact O-CB 3.26Å; Q137-T141 WeakPolarHBondContact O-CB 3.28Å; Q137-T141 PolarHBondContact O-N 2.94Å; Q137-T141 PolarHBondContact O-OG1 3.17Å; E138-T141 PolarHBondContact O-N 2.95Å; T141-A144 PolarHBondContact O-N 3.23Å; T141-Q145 WeakPolarHBondContact O-CB 3.35Å; T141-Q145 VanDerWaalsContact O-CG 3.25Å; T141-Q145 WeakPolarHBondContact O-CG 3.4Å; T141-Q145 PolarHBondContact O-N 2.91Å
142L96.9Very high97.1Very high4 Ų458.4 Ų58.42%0.02131%0.31CS..Hα-helixtrans-62.9-43.2177.1-172.267.5000111.4F91 I94 L119 E138 S139 E140 Q145 W146F91-L142 HydrophobicContact CE1-CD2 4.36Å; F91-L142 HydrophobicContact CE2-CD2 3.64Å; F91-L142 HydrophobicContact CZ-CB 4.08Å; F91-L142 HydrophobicContact CZ-CD2 3.53Å; F91-L142 HydrophobicContact CZ-CG 4.43Å; I94-L142 HydrophobicContact CD1-CD2 3.7Å; L119-L142 HydrophobicContact CD2-CB 4.49Å; L119-L142 HydrophobicContact CD2-CD2 4.19Å; L119-L142 HydrophobicContact CD2-CG 4.46Å; E138-L142 PolarHBondContact O-N 2.83Å; S139-L142 PolarHBondContact O-N 2.94Å; E140-L142 VanDerWaalsContact C-N 3.33Å; E140-L142 PolarHBondContact O-N 2.96Å; L142-Q145 WeakPolarHBondContact O-CB 3.32Å; L142-Q145 PolarHBondContact O-N 2.89Å; L142-W146 HydrophobicContact CD1-CZ2 3.98Å; L142-W146 HydrophobicContact CD2-CH2 4.3Å; L142-W146 HydrophobicContact CD2-CZ2 3.9Å; L142-W146 HydrophobicContact CG-CD2 4.33Å; L142-W146 HydrophobicContact CG-CZ2 4.01Å; L142-W146 WeakPolarHBondContact O-CB 3.42Å; L142-W146 VanDerWaalsContact O-CG 3.26Å; L142-W146 PolarHBondContact O-N 3.38Å
143A96.8Very high97.1Very high4 Ų454.7 Ų54.73%0.03330%0.296CS..Hα-helixtrans-62.7-42.9177.700000112.4L119 S139 E140 W146 C147 C148 H150L119-A143 HydrophobicContact CD2-CB 4.19Å; S139-A143 WeakPolarHBondContact O-CB 3.36Å; S139-A143 PolarHBondContact O-N 3.44Å; E140-A143 PolarHBondContact O-N 2.7Å; A143-W146 CarbonylContact O-C 3.59Å; A143-W146 WeakPolarHBondContact O-CA 3.35Å; A143-W146 PolarHBondContact O-N 2.96Å; A143-W146 VanDerWaalsContact O-N 3.07Å; A143-C147 PolarHBondContact O-N 3.32Å; A143-C148 PolarHBondContact O-N 3.44Å; A143-H150 HydrophobicContact CB-CB 3.49Å; A143-H150 VanDerWaalsContact CB-CB 3.49Å
144A95.6Very high97.1Very high70 Ų7049.5 Ų49.558%0.57927%0.272SS*.Hα-helixtrans-61.6-44.5174.400000111.8E140 T141 W146 C147E140-A144 WeakPolarHBondContact O-CB 3.19Å; E140-A144 PolarHBondContact O-N 2.89Å; T141-A144 PolarHBondContact O-N 3.23Å; A144-W146 PolarHBondContact O-N 3.06Å; A144-C147 PolarHBondContact O-N 2.62Å
145Q93.2Very high97.1Very high126 Ų12649.6 Ų49.659%0.58927%0.273SS*.Hα-helixtrans-61.3-29.6172.9-72.5173.9300112.6T141 L142 C147T141-Q145 WeakPolarHBondContact O-CB 3.35Å; T141-Q145 VanDerWaalsContact O-CG 3.25Å; T141-Q145 WeakPolarHBondContact O-CG 3.4Å; T141-Q145 PolarHBondContact O-N 2.91Å; L142-Q145 WeakPolarHBondContact O-CB 3.32Å; L142-Q145 PolarHBondContact O-N 2.89Å; Q145-C147 VanDerWaalsContact C-N 3.33Å
146W92.8Very high97.1Very high25 Ų2551.5 Ų51.510%0.09527%0.273CS..Hα-helixtrans-87.6-8.6178.4-69.822000113.1V81 I94 R95 R98 I117 L119 L142 A143 A144 C148V81-W146 HydrophobicContact CG1-CZ3 4.26Å; I94-W146 HydrophobicContact CB-CH2 4.25Å; I94-W146 HydrophobicContact CD1-CH2 4.11Å; I94-W146 HydrophobicContact CG1-CH2 4.28Å; I94-W146 WeakPolarHBondContact O-CH2 3.47Å; R95-W146 HydrophobicContact CG-CZ2 4.18Å; R98-W146 HydrophobicContact CB-CE3 4.33Å; R98-W146 HydrophobicContact CB-CH2 3.5Å; R98-W146 VanDerWaalsContact CB-CH2 3.5Å; R98-W146 HydrophobicContact CB-CZ2 3.74Å; R98-W146 HydrophobicContact CB-CZ3 3.82Å; R98-W146 VanDerWaalsContact CD-CE2 3.46Å; R98-W146 HydrophobicContact CG-CD2 3.95Å; R98-W146 HydrophobicContact CG-CE3 3.9Å; R98-W146 HydrophobicContact CG-CH2 3.96Å; R98-W146 HydrophobicContact CG-CZ2 3.99Å; R98-W146 HydrophobicContact CG-CZ3 3.91Å; R98-W146 VanDerWaalsContact CZ-CG 3.42Å; I117-W146 HydrophobicContact CG2-CE3 4.45Å; L119-W146 HydrophobicContact CD1-CZ3 4.11Å; L142-W146 HydrophobicContact CD1-CZ2 3.98Å; L142-W146 HydrophobicContact CD2-CH2 4.3Å; L142-W146 HydrophobicContact CD2-CZ2 3.9Å; L142-W146 HydrophobicContact CG-CD2 4.33Å; L142-W146 HydrophobicContact CG-CZ2 4.01Å; L142-W146 WeakPolarHBondContact O-CB 3.42Å; L142-W146 VanDerWaalsContact O-CG 3.26Å; L142-W146 PolarHBondContact O-N 3.38Å; A143-W146 CarbonylContact O-C 3.59Å; A143-W146 WeakPolarHBondContact O-CA 3.35Å; A143-W146 PolarHBondContact O-N 2.96Å; A143-W146 VanDerWaalsContact O-N 3.07Å; A144-W146 PolarHBondContact O-N 3.06Å; W146-C148 HydrophobicContact CB-CB 4.4Å; W146-C148 VanDerWaalsContact CB-SG 3.51Å; W146-C148 PolarHBondContact O-N 2.95Å
147C92.4Very high97.1Very high117 Ų11753.2 Ų53.279%0.79128%0.28SS*.THydrogen-bonded Turntrans49.344-171-53.90000111.3A143 A144 Q145A143-C147 PolarHBondContact O-N 3.32Å; A144-C147 PolarHBondContact O-N 2.62Å; Q145-C147 VanDerWaalsContact C-N 3.33Å
148C94.7Very high97.1Very high19 Ų1950.7 Ų50.713%0.12827%0.27CS..  trans-127.9155.9179.968.50000112I117 A143 W146I117-C148 HydrophobicContact CB-CB 4.43Å; I117-C148 VanDerWaalsContact O-CB 3.29Å; I117-C148 WeakPolarHBondContact O-CB 3.15Å; A143-C148 PolarHBondContact O-N 3.44Å; W146-C148 HydrophobicContact CB-CB 4.4Å; W146-C148 VanDerWaalsContact CB-SG 3.51Å; W146-C148 PolarHBondContact O-N 2.95Å
149P97.5Very high97.1Very high28 Ų2851.8 Ų51.818%0.18228%0.281CS..  trans-62.9146.1169.5-20.733.1000111.6V118 L119 L151 E167 Q171V118-P149 HydrophobicContact CG1-CB 4.44Å; V118-P149 HydrophobicContact CG2-CB 4.48Å; V118-P149 HydrophobicContact CG2-CG 4.44Å; L119-P149 PolarHBondContact N-O 2.84Å; P149-L151 HydrophobicContact CB-CD1 4.23Å; P149-E167 HydrophobicContact CB-CG 3.84Å; P149-E167 HydrophobicContact CG-CG 3.8Å; P149-E167 WeakPolarHBondContact CG-OE1 3.07Å; P149-Q171 VanDerWaalsContact CG-CD 3.49Å; P149-Q171 HydrophobicContact CG-CG 3.76Å; P149-Q171 VanDerWaalsContact CG-NE2 3.31Å
150H98.5Very high97.1Very high45 Ų4552.5 Ų52.521%0.20829%0.288CS..EExtended strand (participates in β ladder)trans-122.6133.8170.1171.1-117.2000110Y83 L119 S139 A143Y83-H150 AromaticContact CZ-NE2 3.9Å; Y83-H150 PolarHBondContact OH-NE2 2.94Å; L119-H150 HydrophobicContact CB-CB 4.4Å; L119-H150 VanDerWaalsContact O-CA 3.29Å; L119-H150 WeakPolarHBondContact O-CA 3.25Å; L119-H150 PolarHBondContact O-CD2 3.43Å; S139-H150 PolarHBondContact OG-CE1 3.49Å; S139-H150 VanDerWaalsContact OG-CE1 3.28Å; A143-H150 HydrophobicContact CB-CB 3.49Å; A143-H150 VanDerWaalsContact CB-CB 3.49Å
151L98.8Very high97.2Very high36 Ų3647.1 Ų47.119%0.18826%0.263CS..EExtended strand (participates in β ladder)trans-133.4136.5175.9-66.492.9000109.4V118 L119 V120 G121 P149 T153 E163 E167V118-L151 HydrophobicContact CG1-CD1 3.45Å; V118-L151 VanDerWaalsContact CG1-CD1 3.45Å; L119-L151 PolarHBondContact O-N 2.88Å; V120-L151 CarbonylContact C-O 3.56Å; V120-L151 WeakPolarHBondContact CA-O 3.49Å; G121-L151 PolarHBondContact N-O 3.08Å; P149-L151 HydrophobicContact CB-CD1 4.23Å; L151-T153 HydrophobicContact CB-CG2 4.44Å; L151-E163 HydrophobicContact CD2-CB 3.6Å; L151-E167 HydrophobicContact CD1-CG 4.37Å
152E98.7Very high97.2Very high59 Ų5946.9 Ų46.928%0.27626%0.259SS..EExtended strand (participates in β ladder)trans-88.8136.5162.7-65.2-162.9165.700110.1L85 G121 R132L85-E152 HydrophobicContact CD1-CB 4.06Å; L85-E152 HydrophobicContact CD1-CG 3.94Å; L85-E152 HydrophobicContact CD2-CG 4.13Å; L85-E152 VanDerWaalsContact CD2-OE1 3.26Å; L85-E152 WeakPolarHBondContact CD2-OE1 3.47Å; G121-E152 CarbonylContact O-C 3.53Å; G121-E152 WeakPolarHBondContact O-CA 3.5Å; R132-E152 IonicContact CZ-OE1 2.7Å; R132-E152 IonicContact CZ-OE2 3.87Å; R132-E152 IonicContact NH1-OE1 3.66Å; R132-E152 PolarHBondContact NH1-OE1 2.81Å; R132-E152 IonicContact NH1-OE2 2.68Å; R132-E152 IonicContact NH2-OE1 3.73Å; R132-E152 PolarHBondContact NH2-OE1 2.83Å; R132-E152 IonicContact NH2-OE2 3.45Å; R132-E152 PolarHBondContact NH2-OE2 3.35Å
153T98.9Very high97.3Very high0 Ų051.7 Ų51.70%028%0.281CS..EExtended strand (participates in β ladder)trans-132.9153.8-174.6650000111.7V120 G121 N122 K123 A124 L151 V159 G160 A164V120-T153 HydrophobicContact CG1-CG2 3.69Å; V120-T153 WeakPolarHBondContact CG1-OG1 3.26Å; G121-T153 PolarHBondContact O-N 3.45Å; N122-T153 CarbonylContact C-O 3.56Å; N122-T153 WeakPolarHBondContact CA-O 3.45Å; N122-T153 WeakPolarHBondContact CA-OG1 3.45Å; N122-T153 PolarHBondContact OD1-O 2.81Å; N122-T153 PolarHBondContact OD1-OG1 3.3Å; K123-T153 PolarHBondContact N-O 3.35Å; A124-T153 WeakPolarHBondContact CB-O 3.35Å; A124-T153 PolarHBondContact N-O 2.68Å; L151-T153 HydrophobicContact CB-CG2 4.44Å; T153-V159 CarbonylContact C-O 3.58Å; T153-V159 WeakPolarHBondContact CA-O 3.44Å; T153-V159 WeakPolarHBondContact CB-O 3.48Å; T153-G160 WeakPolarHBondContact CG2-O 3.37Å; T153-A164 HydrophobicContact CG2-CB 4.21Å
154S98.8Very high97.4Very high1 Ų151.5 Ų51.51%0.00728%0.28CS..BIsolated β-bridgetrans-129112.2160.2178.30000109.3D125 R156 D157 D158 V159D125-S154 PolarHBondContact OD1-OG 3.22Å; S154-R156 PolarHBondContact O-N 2.85Å; S154-R156 PolarHBondContact OG-N 3.43Å; S154-D157 PolarHBondContact OG-N 2.75Å; S154-D157 VanDerWaalsContact OG-N 3.08Å; S154-D158 WeakPolarHBondContact O-CA 3.46Å; S154-D158 PolarHBondContact O-N 3.24Å; S154-V159 PolarHBondContact N-O 2.68Å; S154-V159 PolarHBondContact O-N 3.37Å
155A98.5Very high97.5Very high3 Ų348.2 Ų48.23%0.02525%0.253CS..THydrogen-bonded Turntrans-64-27169.300000112.5A19 L20 K23 F29 N122A19-A155 HydrophobicContact CB-CB 3.7Å; L20-A155 HydrophobicContact CD2-CB 3.92Å; L20-A155 HydrophobicContact CG-CB 4.14Å; K23-A155 WeakPolarHBondContact CE-O 3.42Å; F29-A155 HydrophobicContact CD2-CB 4.32Å; F29-A155 WeakPolarHBondContact CD2-O 3.34Å; F29-A155 HydrophobicContact CE2-CB 4.36Å; N122-A155 PolarHBondContact OD1-N 2.87Å
156R97.6Very high97.8Very high128 Ų12844 Ų4448%0.48323%0.234SC..THydrogen-bonded Turntrans-69.8-50.7179-176.1-172.7-179.1-169.6-4.1110.6F29 D125 S154F29-R156 HydrophobicContact CD1-CG 4.35Å; F29-R156 HydrophobicContact CD2-CB 4.46Å; F29-R156 HydrophobicContact CE1-CB 4.24Å; F29-R156 HydrophobicContact CE1-CG 3.97Å; F29-R156 HydrophobicContact CE2-CB 4.08Å; F29-R156 HydrophobicContact CZ-CB 3.97Å; F29-R156 HydrophobicContact CZ-CG 4.16Å; D125-R156 VanDerWaalsContact OD2-CD 3.24Å; D125-R156 WeakPolarHBondContact OD2-CD 3.41Å; D125-R156 IonicContact OD2-NH1 3.62Å; D125-R156 PolarHBondContact OD2-NH1 3.24Å; S154-R156 PolarHBondContact O-N 2.85Å; S154-R156 PolarHBondContact OG-N 3.43Å
157D98.2Very high98Very high88 Ų8844.5 Ų44.547%0.47124%0.238SC..THydrogen-bonded Turntrans-94.34.3-173.8-60.8-11.2000113D125 S154 V159D125-D157 VanDerWaalsContact CB-OD2 3.26Å; D125-D157 WeakPolarHBondContact CB-OD2 2.81Å; S154-D157 PolarHBondContact OG-N 2.75Å; S154-D157 VanDerWaalsContact OG-N 3.08Å; D157-V159 VanDerWaalsContact C-N 3.34Å; D157-V159 HydrophobicContact CB-CG2 4.09Å; D157-V159 PolarHBondContact O-N 3.25Å
158D98.1Very high98.3Very high78 Ų7839 Ų3942%0.41720%0.2SC..THydrogen-bonded Turntrans56.941.2-177.7-16127.2000113.9K23 S154K23-D158 HydrophobicContact CD-CB 4.08Å; K23-D158 WeakPolarHBondContact CD-OD1 3.22Å; K23-D158 WeakPolarHBondContact CG-OD1 3.31Å; S154-D158 WeakPolarHBondContact O-CA 3.46Å; S154-D158 PolarHBondContact O-N 3.24Å
159V98.7Very high98.5Very high78 Ų7838 Ų3847%0.47319%0.194SC..BIsolated β-bridgetrans-101.6127.2179.5178.20000110.2T153 S154 D157 V161T153-V159 CarbonylContact C-O 3.58Å; T153-V159 WeakPolarHBondContact CA-O 3.44Å; T153-V159 WeakPolarHBondContact CB-O 3.48Å; S154-V159 PolarHBondContact N-O 2.68Å; S154-V159 PolarHBondContact O-N 3.37Å; D157-V159 VanDerWaalsContact C-N 3.34Å; D157-V159 HydrophobicContact CB-CG2 4.09Å; D157-V159 PolarHBondContact O-N 3.25Å; V159-V161 PolarHBondContact O-N 3.48Å; V159-V161 VanDerWaalsContact O-N 3.08Å
160G98.5Very high98.4Very high15 Ų1540 Ų4016%0.15520%0.198CC..SBendtrans693173.800000114.9T153 E163 A164T153-G160 WeakPolarHBondContact CG2-O 3.37Å; G160-E163 WeakPolarHBondContact CA-OE2 3.49Å; G160-A164 WeakPolarHBondContact O-CB 3.48Å; G160-A164 PolarHBondContact O-N 2.93Å
161V98.8Very high98.3Very high0 Ų039.8 Ų39.80%020%0.197CC..Hα-helixtrans-67.9-54.6-172.2-177.60000110.4L20 K23 F24 V159 E163 A164 F165L20-V161 HydrophobicContact CD2-CB 4.47Å; L20-V161 HydrophobicContact CD2-CG1 4.22Å; L20-V161 HydrophobicContact CD2-CG2 3.87Å; K23-V161 HydrophobicContact CB-CG1 4.17Å; K23-V161 HydrophobicContact CG-CB 4.28Å; K23-V161 HydrophobicContact CG-CG1 3.93Å; K23-V161 HydrophobicContact CG-CG2 3.99Å; F24-V161 HydrophobicContact CB-CG1 3.88Å; V159-V161 PolarHBondContact O-N 3.48Å; V159-V161 VanDerWaalsContact O-N 3.08Å; V161-E163 VanDerWaalsContact C-N 3.28Å; V161-E163 PolarHBondContact N-OE2 2.76Å; V161-E163 PolarHBondContact O-N 2.75Å; V161-A164 PolarHBondContact O-N 3.42Å; V161-F165 HydrophobicContact CG1-CD2 4.45Å; V161-F165 HydrophobicContact CG1-CE2 4.3Å; V161-F165 VanDerWaalsContact O-CD2 3.3Å; V161-F165 WeakPolarHBondContact O-CD2 3.02Å; V161-F165 PolarHBondContact O-N 3.11Å
162N98.5Very high98Very high61 Ų6138.8 Ų38.833%0.32619%0.192SC..Hα-helixtrans-61.8-42.1178.7-76.8-58.5000110.9F24 A164 F165 L166F24-N162 WeakPolarHBondContact CD2-OD1 3.27Å; F24-N162 HydrophobicContact CE2-CB 4.49Å; F24-N162 VanDerWaalsContact CE2-OD1 3.27Å; F24-N162 WeakPolarHBondContact CE2-OD1 3.42Å; N162-A164 VanDerWaalsContact C-N 3.34Å; N162-A164 PolarHBondContact O-N 3.46Å; N162-F165 PolarHBondContact O-N 3.46Å; N162-L166 WeakPolarHBondContact O-CB 3.43Å; N162-L166 VanDerWaalsContact O-CG 3.25Å; N162-L166 WeakPolarHBondContact O-CG 3.14Å; N162-L166 PolarHBondContact O-N 3.14Å
163E98.8Very high97.8Very high104 Ų10438.3 Ų38.349%0.48619%0.19SC..Hα-helixtrans-56.5-47-179.3-65.471.7-161.700111L151 G160 V161 F165 L166 E167L151-E163 HydrophobicContact CD2-CB 3.6Å; G160-E163 WeakPolarHBondContact CA-OE2 3.49Å; V161-E163 VanDerWaalsContact C-N 3.28Å; V161-E163 PolarHBondContact N-OE2 2.76Å; V161-E163 PolarHBondContact O-N 2.75Å; E163-F165 PolarHBondContact O-N 3.26Å; E163-L166 PolarHBondContact O-N 2.94Å; E163-E167 WeakPolarHBondContact O-CB 3.48Å; E163-E167 PolarHBondContact O-N 2.89Å
164A98.9Very high97.4Very high1 Ų144.7 Ų44.71%0.00822%0.222CC..Hα-helixtrans-60.2-48.1179.900000112.9L80 V120 T153 G160 V161 N162 A168L80-A164 WeakPolarHBondContact CD2-O 3.39Å; V120-A164 HydrophobicContact CG2-CB 4.12Å; T153-A164 HydrophobicContact CG2-CB 4.21Å; G160-A164 WeakPolarHBondContact O-CB 3.48Å; G160-A164 PolarHBondContact O-N 2.93Å; V161-A164 PolarHBondContact O-N 3.42Å; N162-A164 VanDerWaalsContact C-N 3.34Å; N162-A164 PolarHBondContact O-N 3.46Å; A164-A168 PolarHBondContact O-N 3.45Å
165F98.8Very high96.8Very high0 Ų048.5 Ų48.50%024%0.242CC..Hα-helixtrans-69.4-39.1-179.4-75.8-89.8000112.5L7 V9 L20 F24 L54 I56 L80 V161 N162 E163L7-F165 HydrophobicContact CD1-CD1 4.03Å; L7-F165 HydrophobicContact CD2-CD1 4.05Å; L7-F165 HydrophobicContact CD2-CE1 3.93Å; V9-F165 HydrophobicContact CG2-CE1 4.07Å; V9-F165 HydrophobicContact CG2-CZ 4.38Å; L20-F165 HydrophobicContact CB-CE2 4.11Å; L20-F165 HydrophobicContact CB-CZ 4.34Å; F24-F165 HydrophobicContact CB-CD2 3.61Å; F24-F165 HydrophobicContact CB-CE2 3.59Å; F24-F165 HydrophobicContact CB-CG 4.24Å; F24-F165 HydrophobicContact CB-CZ 4.19Å; F24-F165 HydrophobicContact CD1-CB 4.06Å; F24-F165 AromaticContact CD1-CD1 3.87Å; F24-F165 HydrophobicContact CD1-CD1 3.87Å; F24-F165 AromaticContact CD1-CD2 3.98Å; F24-F165 HydrophobicContact CD1-CD2 3.98Å; F24-F165 HydrophobicContact CD1-CE1 4.33Å; F24-F165 HydrophobicContact CD1-CE2 4.42Å; F24-F165 AromaticContact CD1-CG 3.7Å; F24-F165 HydrophobicContact CD1-CG 3.7Å; F24-F165 HydrophobicContact CD2-CB 3.88Å; F24-F165 AromaticContact CD2-CD2 3.8Å; F24-F165 HydrophobicContact CD2-CD2 3.8Å; F24-F165 AromaticContact CD2-CG 3.97Å; F24-F165 HydrophobicContact CD2-CG 3.97Å; F24-F165 HydrophobicContact CE1-CB 3.85Å; F24-F165 HydrophobicContact CE1-CD1 4.15Å; F24-F165 AromaticContact CE1-CG 3.97Å; F24-F165 HydrophobicContact CE1-CG 3.97Å; F24-F165 HydrophobicContact CE2-CB 3.67Å; F24-F165 HydrophobicContact CE2-CD2 4.46Å; F24-F165 HydrophobicContact CE2-CG 4.23Å; F24-F165 HydrophobicContact CG-CB 4.06Å; F24-F165 HydrophobicContact CG-CD1 4.27Å; F24-F165 AromaticContact CG-CD2 3.51Å; F24-F165 HydrophobicContact CG-CD2 3.51Å; F24-F165 AromaticContact CG-CE2 3.99Å; F24-F165 HydrophobicContact CG-CE2 3.99Å; F24-F165 AromaticContact CG-CG 3.69Å; F24-F165 HydrophobicContact CG-CG 3.69Å; F24-F165 HydrophobicContact CZ-CB 3.64Å; F24-F165 HydrophobicContact CZ-CG 4.22Å; L54-F165 HydrophobicContact CD2-CB 4.45Å; L54-F165 HydrophobicContact CD2-CD1 4.36Å; I56-F165 HydrophobicContact CD1-CD1 3.94Å; I56-F165 HydrophobicContact CD1-CE1 3.91Å; I56-F165 HydrophobicContact CG1-CD1 4.46Å; I56-F165 HydrophobicContact CG1-CE1 4.42Å; I56-F165 HydrophobicContact CG2-CE1 4.05Å; L80-F165 HydrophobicContact CD1-CD1 3.84Å; L80-F165 HydrophobicContact CD1-CD2 4.15Å; L80-F165 HydrophobicContact CD1-CE1 3.66Å; L80-F165 HydrophobicContact CD1-CE2 3.99Å; L80-F165 HydrophobicContact CD1-CG 4.07Å; L80-F165 HydrophobicContact CD1-CZ 3.73Å; V161-F165 HydrophobicContact CG1-CD2 4.45Å; V161-F165 HydrophobicContact CG1-CE2 4.3Å; V161-F165 VanDerWaalsContact O-CD2 3.3Å; V161-F165 WeakPolarHBondContact O-CD2 3.02Å; V161-F165 PolarHBondContact O-N 3.11Å; N162-F165 PolarHBondContact O-N 3.46Å; E163-F165 PolarHBondContact O-N 3.26Å
166L98.7Very high96Very high39 Ų3950.9 Ų50.920%0.20425%0.252CS..Hα-helixtrans-71.1-37.3177.8-61.9-176000111.5F24 I45 V47 N162 E163 A168 V169 R170F24-L166 HydrophobicContact CZ-CD2 4.4Å; I45-L166 HydrophobicContact CB-CD2 3.86Å; I45-L166 HydrophobicContact CD1-CD2 4.09Å; I45-L166 HydrophobicContact CG2-CD2 4.1Å; V47-L166 HydrophobicContact CG2-CB 4.45Å; V47-L166 HydrophobicContact CG2-CD2 3.89Å; N162-L166 WeakPolarHBondContact O-CB 3.43Å; N162-L166 VanDerWaalsContact O-CG 3.25Å; N162-L166 WeakPolarHBondContact O-CG 3.14Å; N162-L166 PolarHBondContact O-N 3.14Å; E163-L166 PolarHBondContact O-N 2.94Å; L166-A168 VanDerWaalsContact C-N 3.33Å; L166-A168 PolarHBondContact O-N 2.86Å; L166-V169 PolarHBondContact O-N 3.16Å; L166-V169 VanDerWaalsContact O-N 3.16Å; L166-R170 PolarHBondContact O-N 3.35Å
167E98.5Very high94.8Very high35 Ų3550.3 Ų50.316%0.16427%0.266CS..Hα-helixtrans-62.8-39.9176.8-173.655.9-147.100111.5V118 P149 L151 E163 V169 R170 Q171V118-E167 HydrophobicContact CG2-CB 4.21Å; V118-E167 HydrophobicContact CG2-CG 3.96Å; P149-E167 HydrophobicContact CB-CG 3.84Å; P149-E167 HydrophobicContact CG-CG 3.8Å; P149-E167 WeakPolarHBondContact CG-OE1 3.07Å; L151-E167 HydrophobicContact CD1-CG 4.37Å; E163-E167 WeakPolarHBondContact O-CB 3.48Å; E163-E167 PolarHBondContact O-N 2.89Å; E167-V169 PolarHBondContact O-N 2.9Å; E167-R170 WeakPolarHBondContact O-CB 3.37Å; E167-R170 PolarHBondContact O-N 2.98Å; E167-R170 VanDerWaalsContact O-N 3.08Å; E167-R170 IonicContact OE2-CZ 3.26Å; E167-R170 IonicContact OE2-NH1 3.42Å; E167-R170 PolarHBondContact OE2-NH1 3.09Å; E167-Q171 HydrophobicContact CG-CG 4.46Å; E167-Q171 VanDerWaalsContact O-CG 3.32Å; E167-Q171 WeakPolarHBondContact O-CG 3.15Å; E167-Q171 PolarHBondContact O-N 2.88Å; E167-Q171 PolarHBondContact OE1-NE2 2.92Å
168A98.4Very high93.1Very high0 Ų055.9 Ų55.90%029%0.285CS..Hα-helixtrans-60.5-35175.400000113L7 C78 L80 V118 A164 L166 L172L7-A168 HydrophobicContact CD1-CB 3.53Å; C78-A168 HydrophobicContact CB-CB 4.35Å; C78-A168 WeakPolarHBondContact CB-O 3.27Å; L80-A168 HydrophobicContact CD2-CB 3.79Å; V118-A168 HydrophobicContact CG2-CB 3.92Å; A164-A168 PolarHBondContact O-N 3.45Å; L166-A168 VanDerWaalsContact C-N 3.33Å; L166-A168 PolarHBondContact O-N 2.86Å; A168-L172 PolarHBondContact O-N 2.91Å
169V97.6Very high91.1Very high0 Ų061.8 Ų61.80%030%0.302CS..Hα-helixtrans-73.8-39.6174.1178.10000110.9Y5 I45 V47 L54 L166 E167 Q171 L172 L173Y5-V169 HydrophobicContact CD2-CG1 3.59Å; Y5-V169 HydrophobicContact CE2-CG1 3.84Å; I45-V169 HydrophobicContact CD1-CB 4.25Å; I45-V169 HydrophobicContact CD1-CG1 4.17Å; I45-V169 HydrophobicContact CD1-CG2 3.75Å; V47-V169 HydrophobicContact CG2-CB 4.17Å; V47-V169 HydrophobicContact CG2-CG1 3.96Å; L54-V169 HydrophobicContact CD1-CG2 3.57Å; L54-V169 HydrophobicContact CD2-CG2 4.14Å; L54-V169 HydrophobicContact CG-CG2 4.43Å; L166-V169 PolarHBondContact O-N 3.16Å; L166-V169 VanDerWaalsContact O-N 3.16Å; E167-V169 PolarHBondContact O-N 2.9Å; V169-Q171 PolarHBondContact O-N 3.31Å; V169-L172 WeakPolarHBondContact O-CB 3.24Å; V169-L172 PolarHBondContact O-N 3.11Å; V169-L173 HydrophobicContact CG1-CD1 4.08Å; V169-L173 HydrophobicContact CG1-CG 4.34Å; V169-L173 VanDerWaalsContact O-CG 3.31Å; V169-L173 WeakPolarHBondContact O-CG 3.33Å; V169-L173 PolarHBondContact O-N 2.68Å
170R96.6Very high88.7Confident69 Ų6969.2 Ų69.226%0.2632%0.322SS..Hα-helixtrans-60.2-44.9175.3-170.8177.3-68.9113.6-1.3111.8V47 D48 L166 E167 L172 L173 M174V47-R170 HydrophobicContact CG1-CB 4.28Å; D48-R170 IonicContact OD1-CZ 2.7Å; D48-R170 IonicContact OD1-NE 3.24Å; D48-R170 PolarHBondContact OD1-NE 3.16Å; D48-R170 VanDerWaalsContact OD1-NE 3.12Å; D48-R170 IonicContact OD1-NH2 2.67Å; D48-R170 PolarHBondContact OD1-NH2 3.47Å; D48-R170 IonicContact OD2-NE 3.57Å; D48-R170 PolarHBondContact OD2-NE 3Å; L166-R170 PolarHBondContact O-N 3.35Å; E167-R170 WeakPolarHBondContact O-CB 3.37Å; E167-R170 PolarHBondContact O-N 2.98Å; E167-R170 VanDerWaalsContact O-N 3.08Å; E167-R170 IonicContact OE2-CZ 3.26Å; E167-R170 IonicContact OE2-NH1 3.42Å; E167-R170 PolarHBondContact OE2-NH1 3.09Å; R170-L172 VanDerWaalsContact C-N 3.31Å; R170-L172 PolarHBondContact O-N 3.27Å; R170-L173 PolarHBondContact O-N 2.93Å; R170-M174 WeakPolarHBondContact O-CG 3.5Å; R170-M174 PolarHBondContact O-N 3.25Å
171Q95Very high86.4Confident40 Ų4074.3 Ų74.319%0.18735%0.35CS..Hα-helixtrans-58.2-42.1173.7-68.4-59.6-5200111.7P116 V118 P149 E167 V169 M174 L175P116-Q171 HydrophobicContact CB-CB 3.86Å; V118-Q171 HydrophobicContact CG2-CG 4.33Å; P149-Q171 VanDerWaalsContact CG-CD 3.49Å; P149-Q171 HydrophobicContact CG-CG 3.76Å; P149-Q171 VanDerWaalsContact CG-NE2 3.31Å; E167-Q171 HydrophobicContact CG-CG 4.46Å; E167-Q171 VanDerWaalsContact O-CG 3.32Å; E167-Q171 WeakPolarHBondContact O-CG 3.15Å; E167-Q171 PolarHBondContact O-N 2.88Å; E167-Q171 PolarHBondContact OE1-NE2 2.92Å; V169-Q171 PolarHBondContact O-N 3.31Å; Q171-M174 PolarHBondContact O-N 2.92Å; Q171-L175 WeakPolarHBondContact O-CG 3.24Å; Q171-L175 PolarHBondContact O-N 3.28Å
172L94Very high83.7Confident16 Ų1681.4 Ų81.48%0.08439%0.387CS..Hα-helixtrans-62.9-4617517762000112.2Y5 Q77 C78 P116 A168 V169 R170 M174 L175 E176Y5-L172 HydrophobicContact CD1-CD2 3.38Å; Y5-L172 HydrophobicContact CD1-CG 4.42Å; Y5-L172 HydrophobicContact CE1-CD2 4.02Å; Y5-L172 HydrophobicContact CG-CD2 3.74Å; Q77-L172 HydrophobicContact CB-CD1 4.12Å; Q77-L172 HydrophobicContact CB-CD2 3.75Å; C78-L172 HydrophobicContact CB-CB 4.29Å; P116-L172 HydrophobicContact CB-CB 4.15Å; P116-L172 VanDerWaalsContact CG-CA 3.49Å; P116-L172 HydrophobicContact CG-CB 3.86Å; P116-L172 HydrophobicContact CG-CD1 3.85Å; P116-L172 HydrophobicContact CG-CG 4.47Å; A168-L172 PolarHBondContact O-N 2.91Å; V169-L172 WeakPolarHBondContact O-CB 3.24Å; V169-L172 PolarHBondContact O-N 3.11Å; R170-L172 VanDerWaalsContact C-N 3.31Å; R170-L172 PolarHBondContact O-N 3.27Å; L172-M174 VanDerWaalsContact C-N 3.28Å; L172-M174 PolarHBondContact O-N 3.35Å; L172-L175 PolarHBondContact O-N 2.74Å; L172-L175 VanDerWaalsContact O-N 3.14Å; L172-E176 PolarHBondContact O-N 3.05Å
173L93.6Very high81.2Confident48 Ų4883.6 Ų83.625%0.25141%0.406SS..Hα-helixtrans-62.4-33.9178.7-70.9170.6000112.7Y5 V47 V169 R170 L175 E176Y5-L173 HydrophobicContact CE2-CD2 4.04Å; Y5-L173 HydrophobicContact CE2-CG 4.5Å; Y5-L173 WeakPolarHBondContact OH-CD2 3.11Å; V47-L173 HydrophobicContact CB-CD1 4.39Å; V47-L173 HydrophobicContact CG1-CD1 3.93Å; V169-L173 HydrophobicContact CG1-CD1 4.08Å; V169-L173 HydrophobicContact CG1-CG 4.34Å; V169-L173 VanDerWaalsContact O-CG 3.31Å; V169-L173 WeakPolarHBondContact O-CG 3.33Å; V169-L173 PolarHBondContact O-N 2.68Å; R170-L173 PolarHBondContact O-N 2.93Å; L173-L175 VanDerWaalsContact C-N 3.26Å; L173-L175 PolarHBondContact O-N 3.08Å; L173-E176 PolarHBondContact O-N 3.38Å
174M90.2Very high78.6Confident135 Ų13583.4 Ų83.467%0.66541%0.411SS*.Hα-helixtrans-65.5-28176.1-75179.213800113.2R170 Q171 L172R170-M174 WeakPolarHBondContact O-CG 3.5Å; R170-M174 PolarHBondContact O-N 3.25Å; Q171-M174 PolarHBondContact O-N 2.92Å; L172-M174 VanDerWaalsContact C-N 3.28Å; L172-M174 PolarHBondContact O-N 3.35Å
175L86Confident76Confident81 Ų8189.7 Ų89.742%0.42445%0.449SS..Hα-helixtrans-90.1-18178.8-59.6-176.3000113.5S114 P116 Q171 L172 L173S114-L175 VanDerWaalsContact O-CD1 3.27Å; S114-L175 WeakPolarHBondContact O-CD1 3.49Å; S114-L175 VanDerWaalsContact OG-CD1 3.29Å; S114-L175 WeakPolarHBondContact OG-CD1 3.45Å; S114-L175 WeakPolarHBondContact OG-CD2 3.01Å; P116-L175 HydrophobicContact CG-CD1 3.65Å; Q171-L175 WeakPolarHBondContact O-CG 3.24Å; Q171-L175 PolarHBondContact O-N 3.28Å; L172-L175 PolarHBondContact O-N 2.74Å; L172-L175 VanDerWaalsContact O-N 3.14Å; L173-L175 VanDerWaalsContact C-N 3.26Å; L173-L175 PolarHBondContact O-N 3.08Å
176E82.7Confident73.4Confident52 Ų52100.4 Ų100.424%0.24351%0.505CS..SBendtrans-65.5134.8174.6-71.1-164.8165.200109.9R3 Y5 L172 L173 K178R3-E176 IonicContact CZ-OE2 2.77Å; R3-E176 IonicContact NH1-OE2 3.06Å; R3-E176 PolarHBondContact NH1-OE2 3.29Å; Y5-E176 WeakPolarHBondContact CE1-OE1 3.26Å; L172-E176 PolarHBondContact O-N 3.05Å; L173-E176 PolarHBondContact O-N 3.38Å; E176-K178 PolarHBondContact O-N 3.42Å
177P71.6Confident72.1Confident117 Ų117103.5 Ų103.576%0.7652%0.521SS*.  trans-54.7119.3171.1-20.630000108.4R179P177-R179 PolarHBondContact O-N 3.5Å
178K63.7Low70.8Confident204 Ų204107.1 Ų107.189%0.88754%0.539SS*.  trans-52.4111.8169.7-70.2-170.9-179.7-177.50105.9E176 R180E176-K178 PolarHBondContact O-N 3.42Å; K178-R180 PolarHBondContact O-N 3.11Å
179R56.5Low69.2Low203 Ų203113 Ų11377%0.76657%0.569SS**  trans-54.9116.7170.3-78.8-17874.9-1685.8104.1P177 T181P177-R179 PolarHBondContact O-N 3.5Å; R179-T181 VanDerWaalsContact C-N 3.27Å; R179-T181 PolarHBondContact O-N 3.46Å
180R48.1Very low67.6Low234 Ų234119.6 Ų119.688%0.88360%0.603SS**  trans-49.3108.1162.1-73.3-179.5175.4176.6-2.1103.7K178 L182K178-R180 PolarHBondContact O-N 3.11Å; R180-L182 VanDerWaalsContact C-N 3.33Å; R180-L182 PolarHBondContact O-N 2.74Å
181T48.6Very low65.7Low122 Ų122122.8 Ų122.875%0.74862%0.624SS**  trans-50.3113.1168.1-49.20000103.1R179 C183R179-T181 VanDerWaalsContact C-N 3.27Å; R179-T181 PolarHBondContact O-N 3.46Å; T181-C183 PolarHBondContact O-N 3.45Å
182L43.9Very low63.8Low148 Ų148128.3 Ų128.378%0.77565%0.653SS**  trans-62.795.9171.4-141.182.1000102.2R180 V184R180-L182 VanDerWaalsContact C-N 3.33Å; R180-L182 PolarHBondContact O-N 2.74Å; L182-V184 HydrophobicContact CB-CG2 4.37Å; L182-V184 HydrophobicContact CD2-CG2 4.2Å; L182-V184 PolarHBondContact O-N 3.45Å
183C45.4Very low61.6Low108 Ų108136.4 Ų136.473%0.7369%0.694SS**  trans-61.989161.3-82.80000103.8T181 V185T181-C183 PolarHBondContact O-N 3.45Å; C183-V185 HydrophobicContact CB-CG2 4.42Å; C183-V185 PolarHBondContact O-N 3.49Å
184V43.5Very low59.2Low99 Ų99143.2 Ų143.260%0.673%0.728SS**  trans-69.991.3160.1-165.40000102.8L182 L186L182-V184 HydrophobicContact CB-CG2 4.37Å; L182-V184 HydrophobicContact CD2-CG2 4.2Å; L182-V184 PolarHBondContact O-N 3.45Å; V184-L186 VanDerWaalsContact C-N 3.33Å; V184-L186 HydrophobicContact CG1-CD1 4.22Å; V184-L186 HydrophobicContact CG1-CG 4Å; V184-L186 PolarHBondContact O-N 3.28Å; V184-L186 VanDerWaalsContact O-N 3.1Å
185V44.7Very low56.6Low133 Ų133143.8 Ų143.881%0.80673%0.733SS**  trans-65.4103.4165-176.40000104.4C183C183-V185 HydrophobicContact CB-CG2 4.42Å; C183-V185 PolarHBondContact O-N 3.49Å
186L44.5Very low53.9Low225 Ų225149.5 Ų149.5100%1.17876%0.761SS**  trans-113.30159.5-75.6171.3000107V184V184-L186 VanDerWaalsContact C-N 3.33Å; V184-L186 HydrophobicContact CG1-CD1 4.22Å; V184-L186 HydrophobicContact CG1-CG 4Å; V184-L186 PolarHBondContact O-N 3.28Å; V184-L186 VanDerWaalsContact O-N 3.1Å

Retrieved 186 of 186 residues in 61.4 ms (Link to these results)

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