A0A087Y310_POEFO Loading...

G protein-coupled receptor kinase interacting ArfGAP 2a

AlphaFold DB , UniProt , Accession A0A087Y310, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 723 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
1M32.1Very low57.1Low246 Ų246132.5 Ų132.5100%1.21263%0.631SS**  0124.50-65.9174177.600107.8
2S31.6Very low60.3Low122 Ų122121.5 Ų121.585%0.85358%0.579SS**  trans-79.2130.5-180-1690000110.5R4S2-R4 PolarHBondContact O-N 3.34Å
3K37.2Very low63.1Low199 Ų199112.2 Ų112.287%0.86554%0.535SS*.  trans-70.7110.1167.7-70.5178.3179.1175.90106.9L5K3-L5 PolarHBondContact O-N 3.13Å
4R42Very low65.4Low236 Ų236104.2 Ų104.289%0.89150%0.497SS*.PPolyproline II helixtrans-53.5126.3163.8-76.2-178173.5175.6-3.2107.3S2 R6S2-R4 PolarHBondContact O-N 3.34Å; R4-R6 PolarHBondContact O-N 3.36Å
5L41.4Very low67.3Low151 Ų151100.6 Ų100.679%0.79149%0.486SS*.PPolyproline II helixtrans-52.7131.5165.9-75.9157.6000107.3K3 N7K3-L5 PolarHBondContact O-N 3.13Å; L5-N7 PolarHBondContact O-N 3.47Å
6R54.7Low69Low194 Ų19496.5 Ų96.573%0.73247%0.469SS*.PPolyproline II helixtrans-72.9130.8-177.2-72.8-175.9-78-156.1-1107.8R4 T8R4-R6 PolarHBondContact O-N 3.36Å; R6-T8 WeakPolarHBondContact CB-OG1 3.45Å; R6-T8 PolarHBondContact O-N 3.44Å; R6-T8 PolarHBondContact O-OG1 3.41Å
7N57.9Low70.4Confident86 Ų8695.8 Ų95.846%0.4647%0.474SS..G310 helixtrans-58.5-13.4-178.7-77.1-6.4000113.7L5 E9 L10 Y68L5-N7 PolarHBondContact O-N 3.47Å; N7-E9 PolarHBondContact O-N 3.36Å; N7-L10 PolarHBondContact O-N 3.26Å; N7-Y68 WeakPolarHBondContact O-CE1 3.43Å; N7-Y68 PolarHBondContact O-OH 3.12Å
8T62.1Low71.4Confident43 Ų4399.6 Ų99.626%0.26449%0.49SS..G310 helixtrans-50.3-23.9-179.943.60000115.6R6 S69R6-T8 WeakPolarHBondContact CB-OG1 3.45Å; R6-T8 PolarHBondContact O-N 3.44Å; R6-T8 PolarHBondContact O-OG1 3.41Å; T8-S69 VanDerWaalsContact CG2-CB 3.44Å
9E79.6Confident72.6Confident122 Ų12294.9 Ų94.957%0.5747%0.468SS*.G310 helixtrans-104.74.5-175.7-70.5154.3-146.300113.2N7 P17 E18 P19N7-E9 PolarHBondContact O-N 3.36Å; E9-P17 CarbonylContact O-C 3.52Å; E9-P17 WeakPolarHBondContact O-CA 3.4Å; E9-E18 PolarHBondContact O-N 2.67Å; E9-P19 VanDerWaalsContact O-CD 3.31Å; E9-P19 WeakPolarHBondContact O-CD 3.31Å
10L93.3Very high73.7Confident57 Ų5795.2 Ų95.230%0.29846%0.464SS..BIsolated β-bridgetrans-118.6150-178.8-56.9-178000112.2N7 A12 V16 P17 Y68N7-L10 PolarHBondContact O-N 3.26Å; L10-A12 PolarHBondContact O-N 2.95Å; L10-V16 CarbonylContact C-O 3.57Å; L10-P17 HydrophobicContact CD2-CB 4.17Å; L10-Y68 WeakPolarHBondContact O-CE1 3.34Å; L10-Y68 PolarHBondContact O-OH 2.86Å
11C95.8Very high74.8Confident1 Ų190.7 Ų90.71%0.00744%0.442CS..  trans-63.7126.7167.8174.40000110.7D13 C15 V16 C31 C34C11-D13 PolarHBondContact O-N 2.73Å; C11-D13 VanDerWaalsContact O-N 3.12Å; C11-C15 VanDerWaalsContact O-CA 3.3Å; C11-C15 WeakPolarHBondContact O-CA 3.44Å; C11-C15 PolarHBondContact O-N 3.4Å; C11-V16 HydrophobicContact CB-CB 4.15Å; C11-V16 VanDerWaalsContact CB-O 3.29Å; C11-V16 WeakPolarHBondContact CB-O 3.36Å; C11-V16 PolarHBondContact N-O 2.87Å; C11-C31 HydrophobicContact CB-CB 3.99Å; C11-C31 PolarHBondContact SG-N 3.45Å; C11-C34 VanDerWaalsContact SG-SG 3.68Å
12A95.9Very high78Confident1 Ų179 Ų791%0.00838%0.384CS..THydrogen-bonded Turntrans-61.8-21-176.200000114.4L10 V28 L29 I30 Y68 N73 K92 K110L10-A12 PolarHBondContact O-N 2.95Å; A12-V28 HydrophobicContact CB-CB 3.66Å; A12-V28 HydrophobicContact CB-CG1 4Å; A12-V28 HydrophobicContact CB-CG2 4.24Å; A12-L29 VanDerWaalsContact CB-O 3.28Å; A12-L29 WeakPolarHBondContact CB-O 3.37Å; A12-L29 PolarHBondContact N-O 2.62Å; A12-I30 HydrophobicContact CB-CG2 4.37Å; A12-Y68 WeakPolarHBondContact CA-OH 3.27Å; A12-Y68 HydrophobicContact CB-CE2 3.74Å; A12-Y68 PolarHBondContact N-OH 3.28Å; A12-N73 PolarHBondContact O-ND2 2.88Å; A12-K92 VanDerWaalsContact O-CE 3.23Å; A12-K92 WeakPolarHBondContact O-CE 3.39Å; A12-K92 PolarHBondContact O-NZ 2.96Å; A12-K110 PolarHBondContact O-NZ 3.26Å
13D96.6Very high81.1Confident1 Ų173.2 Ų73.21%0.00534%0.343CS..THydrogen-bonded Turntrans-107-36-172.3-53.2-48.8000114.2C11 I30 C34 H38 K92 F106 I107 K110 Y111C11-D13 PolarHBondContact O-N 2.73Å; C11-D13 VanDerWaalsContact O-N 3.12Å; D13-I30 WeakPolarHBondContact OD2-CG2 3.34Å; D13-C34 HydrophobicContact CB-CB 4.42Å; D13-H38 IonicContact OD2-NE2 3.49Å; D13-H38 PolarHBondContact OD2-NE2 2.64Å; D13-K92 WeakPolarHBondContact O-CE 3.21Å; D13-K92 WeakPolarHBondContact O-CG 3.47Å; D13-F106 HydrophobicContact CB-CD1 4.35Å; D13-F106 HydrophobicContact CB-CE1 4.21Å; D13-F106 VanDerWaalsContact O-CE1 3.3Å; D13-F106 WeakPolarHBondContact O-CE1 3.17Å; D13-I107 HydrophobicContact CB-CD1 4.36Å; D13-I107 HydrophobicContact CB-CG1 4.01Å; D13-K110 WeakPolarHBondContact OD1-CD 3.39Å; D13-K110 WeakPolarHBondContact OD1-CE 3.37Å; D13-K110 IonicContact OD1-NZ 2.71Å; D13-K110 PolarHBondContact OD1-NZ 3.37Å; D13-Y111 WeakPolarHBondContact OD1-CE2 3.46Å; D13-Y111 VanDerWaalsContact OD1-CZ 3.31Å; D13-Y111 PolarHBondContact OD1-OH 3.16Å
14C95.1Very high84Confident0 Ų064 Ų640%030%0.304CS..THydrogen-bonded Turntrans-127.54.7-176.570.30000114.8V16 C34 A93 N94 P95 K103C14-V16 PolarHBondContact O-N 3.37Å; C14-V16 VanDerWaalsContact O-N 3.09Å; C14-V16 WeakPolarHBondContact SG-CG2 3.23Å; C14-C34 PolarHBondContact SG-SG 3.49Å; C14-A93 WeakPolarHBondContact CA-O 3.39Å; C14-A93 HydrophobicContact CB-CB 4.29Å; C14-N94 CarbonylContact O-C 3.41Å; C14-P95 WeakPolarHBondContact O-CD 3.41Å; C14-P95 VanDerWaalsContact O-CG 3.32Å; C14-P95 WeakPolarHBondContact O-CG 3.38Å; C14-P95 VanDerWaalsContact O-N 3.12Å; C14-K103 HydrophobicContact CB-CD 4.37Å; C14-K103 HydrophobicContact CB-CG 4.31Å
15C94.3Very high86.7Confident50 Ų5053.2 Ų53.234%0.33826%0.264SS..  trans60.215.4177.1-55.60000116.2C11C11-C15 VanDerWaalsContact O-CA 3.3Å; C11-C15 WeakPolarHBondContact O-CA 3.44Å; C11-C15 PolarHBondContact O-N 3.4Å
16V93.9Very high89.3Confident35 Ų3547 Ų4721%0.21223%0.23CC..  trans-58.4132.5165.7167.70000109.7L10 C11 C14 C31 P95L10-V16 CarbonylContact C-O 3.57Å; C11-V16 HydrophobicContact CB-CB 4.15Å; C11-V16 VanDerWaalsContact CB-O 3.29Å; C11-V16 WeakPolarHBondContact CB-O 3.36Å; C11-V16 PolarHBondContact N-O 2.87Å; C14-V16 PolarHBondContact O-N 3.37Å; C14-V16 VanDerWaalsContact O-N 3.09Å; C14-V16 WeakPolarHBondContact SG-CG2 3.23Å; V16-C31 HydrophobicContact CB-CB 4.17Å; V16-C31 HydrophobicContact CG1-CB 3.89Å; V16-P95 HydrophobicContact CG2-CB 3.72Å; V16-P95 HydrophobicContact CG2-CG 4.44Å
17P92.9Very high91.3Very high84 Ų8437.8 Ų37.855%0.54520%0.195SC..BIsolated β-bridgetrans-68.7165.117730.4-36.5000112.7E9 L10E9-P17 CarbonylContact O-C 3.52Å; E9-P17 WeakPolarHBondContact O-CA 3.4Å; L10-P17 HydrophobicContact CD2-CB 4.17Å
18E89.1Confident93.2Very high164 Ų16433.7 Ų33.777%0.76617%0.173SC*.SBendtrans54.657.7175.7-60.1-175.3177.300114.2E9 R20E9-E18 PolarHBondContact O-N 2.67Å; E18-R20 WeakPolarHBondContact O-CG 3.05Å; E18-R20 PolarHBondContact O-N 3.22Å
19P94.4Very high94.9Very high11 Ų1132.3 Ų32.37%0.07116%0.164CC..  trans-61.1122.8175.228.2-36.2000111.2E9 L29 I30 L51E9-P19 VanDerWaalsContact O-CD 3.31Å; E9-P19 WeakPolarHBondContact O-CD 3.31Å; P19-L29 HydrophobicContact CB-CB 3.83Å; P19-L29 HydrophobicContact CG-CB 3.62Å; P19-L29 HydrophobicContact CG-CD1 4.28Å; P19-I30 CarbonylContact C-O 3.53Å; P19-I30 VanDerWaalsContact CB-C 3.44Å; P19-I30 WeakPolarHBondContact CB-O 3.4Å; P19-L51 WeakPolarHBondContact O-CD1 3.42Å
20R94.4Very high95.7Very high101 Ų10126.5 Ų26.538%0.38114%0.137SC..  trans-92.3-9.3-175.5-51.5-165.8-61.3167.112.2114E18 I30 D32 H50 L51 T302E18-R20 WeakPolarHBondContact O-CG 3.05Å; E18-R20 PolarHBondContact O-N 3.22Å; R20-I30 PolarHBondContact N-O 3.27Å; R20-D32 IonicContact CZ-OD1 3.21Å; R20-D32 IonicContact CZ-OD2 3.33Å; R20-D32 IonicContact NE-OD1 2.72Å; R20-D32 PolarHBondContact NE-OD1 3.09Å; R20-D32 IonicContact NE-OD2 2.71Å; R20-D32 PolarHBondContact NE-OD2 2.89Å; R20-D32 IonicContact NH2-OD1 2.77Å; R20-D32 PolarHBondContact NH2-OD1 2.6Å; R20-D32 IonicContact NH2-OD2 2.81Å; R20-D32 PolarHBondContact NH2-OD2 3.42Å; R20-H50 PolarHBondContact O-CE1 3.24Å; R20-H50 PolarHBondContact O-ND1 2.89Å; R20-L51 WeakPolarHBondContact O-CB 3.4Å; R20-L51 WeakPolarHBondContact O-CG 3.41Å; R20-L51 PolarHBondContact O-N 2.97Å; R20-T302 PolarHBondContact NH2-O 3.28Å
21W97.1Very high95.8Very high1 Ų124.1 Ų24.10%0.00413%0.125CC..EExtended strand (participates in β ladder)trans-124.8160.8-175.5-61.783.6000111.7L29 I30 D32 C35 V48 H50 T295 V298 W299W21-L29 CarbonylContact O-C 3.56Å; W21-L29 WeakPolarHBondContact O-CA 3.42Å; W21-I30 HydrophobicContact CB-CG1 3.82Å; W21-I30 PolarHBondContact N-O 3.22Å; W21-I30 PolarHBondContact O-N 3.48Å; W21-D32 PolarHBondContact NE1-OD1 3.06Å; W21-C35 HydrophobicContact CB-CB 4.12Å; W21-C35 HydrophobicContact CD2-CB 4.11Å; W21-C35 HydrophobicContact CG-CB 3.79Å; W21-V48 HydrophobicContact CE3-CG1 3.62Å; W21-V48 HydrophobicContact CZ3-CG1 4.03Å; W21-H50 HydrophobicContact CD2-CB 4.07Å; W21-H50 AromaticContact CD2-CD2 3.92Å; W21-H50 AromaticContact CE2-CD2 3.48Å; W21-H50 VanDerWaalsContact CE2-CD2 3.48Å; W21-H50 HydrophobicContact CE3-CB 3.7Å; W21-H50 HydrophobicContact CH2-CB 4.13Å; W21-H50 HydrophobicContact CZ2-CB 4.44Å; W21-H50 AromaticContact CZ2-CD2 3.55Å; W21-H50 HydrophobicContact CZ3-CB 3.74Å; W21-H50 AromaticContact NE1-CD2 3.83Å; W21-T295 HydrophobicContact CH2-CG2 4.42Å; W21-T295 HydrophobicContact CZ3-CG2 4.14Å; W21-V298 HydrophobicContact CH2-CB 4.37Å; W21-V298 HydrophobicContact CH2-CG1 3.73Å; W21-V298 HydrophobicContact CZ2-CG1 4.33Å; W21-V298 HydrophobicContact CZ3-CG1 4.3Å; W21-W299 HydrophobicContact CH2-CE3 4.19Å; W21-W299 AromaticContact CZ2-CE3 3.67Å; W21-W299 HydrophobicContact CZ2-CE3 3.67Å; W21-W299 HydrophobicContact CZ2-CZ3 4.22Å
22A97.9Very high95.6Very high0 Ų025.1 Ų25.10%013%0.13CC..EExtended strand (participates in β ladder)trans-125.6146.3173.800000111.5V28 L29 V48 R49 L51 W56 V64A22-V28 WeakPolarHBondContact CA-O 3.23Å; A22-L29 HydrophobicContact CB-CD2 3.84Å; A22-V48 WeakPolarHBondContact O-CA 3.47Å; A22-R49 PolarHBondContact N-O 3.02Å; A22-R49 PolarHBondContact O-N 2.9Å; A22-L51 HydrophobicContact CB-CD2 4.07Å; A22-W56 HydrophobicContact CB-CH2 3.81Å; A22-W56 HydrophobicContact CB-CZ2 4.04Å; A22-V64 HydrophobicContact CB-CG1 4.14Å
23S98.1Very high95.5Very high0 Ų028.9 Ų28.90%015%0.148CC..EExtended strand (participates in β ladder)trans-102.7101.8161.5-175.80000107.9R26 G27 V28 S46 Q47S23-R26 PolarHBondContact O-N 3.18Å; S23-R26 WeakPolarHBondContact OG-CG 3.38Å; S23-G27 PolarHBondContact O-N 3.07Å; S23-V28 PolarHBondContact N-O 2.74Å; S23-V28 PolarHBondContact O-N 3.41Å; S23-S46 PolarHBondContact OG-OG 3.12Å; S23-Q47 CarbonylContact C-O 3.59Å; S23-Q47 WeakPolarHBondContact CA-O 3.47Å
24V98.1Very high95.5Very high5 Ų528.9 Ų28.93%0.0315%0.148CC..THydrogen-bonded Turntrans-65-51.2-165-177.30000111.2R26 G27 Q47 R49 W56 Q60 M63 V64 V188V24-R26 VanDerWaalsContact C-N 3.25Å; V24-R26 PolarHBondContact O-N 3.15Å; V24-G27 PolarHBondContact O-N 3.5Å; V24-Q47 HydrophobicContact CB-CB 4.3Å; V24-Q47 PolarHBondContact N-O 3.41Å; V24-R49 HydrophobicContact CG2-CB 4.08Å; V24-W56 HydrophobicContact CG2-CH2 3.99Å; V24-W56 HydrophobicContact CG2-CZ3 4.31Å; V24-Q60 HydrophobicContact CG1-CG 4.28Å; V24-M63 HydrophobicContact CG1-CE 4.21Å; V24-V64 HydrophobicContact CB-CG2 4.34Å; V24-V64 HydrophobicContact CG1-CG2 3.86Å; V24-V188 HydrophobicContact CG1-CG1 4.11Å; V24-V188 HydrophobicContact CG1-CG2 3.78Å
25N97.4Very high95.5Very high11 Ų1128.9 Ų28.96%0.05915%0.148CC..THydrogen-bonded Turntrans-67.1-22.317867.1-45.2000113.7S45 S46 Q47 V188 Y189N25-S45 PolarHBondContact ND2-O 3.48Å; N25-S45 VanDerWaalsContact ND2-O 3.14Å; N25-S46 WeakPolarHBondContact OD1-CA 3.24Å; N25-Q47 HydrophobicContact CB-CG 4.24Å; N25-Q47 PolarHBondContact OD1-N 3.15Å; N25-V188 HydrophobicContact CB-CG1 3.77Å; N25-Y189 HydrophobicContact CB-CE2 4.34Å; N25-Y189 WeakPolarHBondContact O-CE2 3.5Å; N25-Y189 PolarHBondContact O-OH 3.46Å; N25-Y189 VanDerWaalsContact O-OH 3.11Å
26R97.5Very high95.5Very high21 Ų2126.7 Ų26.78%0.07913%0.133CC..THydrogen-bonded Turntrans-91.5-11.4177.1-58.7-58.3-177.6146.27.1113.4S23 V24 V28 S45 W76 Y111S23-R26 PolarHBondContact O-N 3.18Å; S23-R26 WeakPolarHBondContact OG-CG 3.38Å; V24-R26 VanDerWaalsContact C-N 3.25Å; V24-R26 PolarHBondContact O-N 3.15Å; R26-V28 HydrophobicContact CB-CG2 3.86Å; R26-S45 VanDerWaalsContact CZ-O 3.32Å; R26-S45 PolarHBondContact NE-O 3.46Å; R26-S45 PolarHBondContact NH2-O 3.45Å; R26-S45 PolarHBondContact NH2-OG 3.37Å; R26-W76 HydrophobicContact CB-CZ2 4.36Å; R26-W76 PolarHBondContact O-NE1 3.35Å; R26-Y111 HydrophobicContact CB-CD1 4.5Å; R26-Y111 HydrophobicContact CB-CE1 4.11Å; R26-Y111 HydrophobicContact CG-CD1 3.87Å; R26-Y111 HydrophobicContact CG-CE1 3.98Å; R26-Y111 PolarHBondContact NH2-O 3.28Å
27G96.7Very high95.5Very high0 Ų025.4 Ų25.40%013%0.125CC..THydrogen-bonded Turntrans65.936.3-18000000113.6S23 V24 Y68S23-G27 PolarHBondContact O-N 3.07Å; V24-G27 PolarHBondContact O-N 3.5Å; G27-Y68 WeakPolarHBondContact O-CA 3.46Å; G27-Y68 WeakPolarHBondContact O-CB 3.27Å; G27-Y68 PolarHBondContact O-N 3.28Å
28V96.9Very high95.7Very high0 Ų021.4 Ų21.40%010%0.099CC..EExtended strand (participates in β ladder)trans-135.3152.7-174.2-63.90000113.4A12 A22 S23 R26 I30 Y68 N73A12-V28 HydrophobicContact CB-CB 3.66Å; A12-V28 HydrophobicContact CB-CG1 4Å; A12-V28 HydrophobicContact CB-CG2 4.24Å; A22-V28 WeakPolarHBondContact CA-O 3.23Å; S23-V28 PolarHBondContact N-O 2.74Å; S23-V28 PolarHBondContact O-N 3.41Å; R26-V28 HydrophobicContact CB-CG2 3.86Å; V28-I30 HydrophobicContact CG2-CG2 4.32Å; V28-Y68 HydrophobicContact CB-CD2 3.98Å; V28-Y68 HydrophobicContact CB-CE2 4.14Å; V28-Y68 HydrophobicContact CG1-CD2 3.92Å; V28-Y68 HydrophobicContact CG1-CE2 4.12Å; V28-N73 HydrophobicContact CG1-CB 4.17Å
29L97.2Very high96.1Very high13 Ų1314.6 Ų14.67%0.0687%0.067CC..EExtended strand (participates in β ladder)trans-102.3139.6172.8-55-176.1000110.8A12 P19 W21 A22 L51 V64 Y68A12-L29 VanDerWaalsContact CB-O 3.28Å; A12-L29 WeakPolarHBondContact CB-O 3.37Å; A12-L29 PolarHBondContact N-O 2.62Å; P19-L29 HydrophobicContact CB-CB 3.83Å; P19-L29 HydrophobicContact CG-CB 3.62Å; P19-L29 HydrophobicContact CG-CD1 4.28Å; W21-L29 CarbonylContact O-C 3.56Å; W21-L29 WeakPolarHBondContact O-CA 3.42Å; A22-L29 HydrophobicContact CB-CD2 3.84Å; L29-L51 HydrophobicContact CD2-CD1 4.27Å; L29-L51 HydrophobicContact CD2-CD2 4Å; L29-V64 HydrophobicContact CD2-CG1 4.21Å; L29-Y68 HydrophobicContact CB-CD1 3.89Å; L29-Y68 HydrophobicContact CB-CE1 3.83Å; L29-Y68 HydrophobicContact CD1-CD1 3.78Å; L29-Y68 HydrophobicContact CD1-CE1 4.21Å; L29-Y68 HydrophobicContact CG-CD1 3.55Å; L29-Y68 HydrophobicContact CG-CE1 4.02Å; L29-Y68 HydrophobicContact CG-CG 4.17Å
30I97Very high96Very high0 Ų016.1 Ų16.10%08%0.084CC..EExtended strand (participates in β ladder)trans-136.1150-17465.3-175.6000111.7A12 D13 P19 R20 W21 V28 C34 C35 H38A12-I30 HydrophobicContact CB-CG2 4.37Å; D13-I30 WeakPolarHBondContact OD2-CG2 3.34Å; P19-I30 CarbonylContact C-O 3.53Å; P19-I30 VanDerWaalsContact CB-C 3.44Å; P19-I30 WeakPolarHBondContact CB-O 3.4Å; R20-I30 PolarHBondContact N-O 3.27Å; W21-I30 HydrophobicContact CB-CG1 3.82Å; W21-I30 PolarHBondContact N-O 3.22Å; W21-I30 PolarHBondContact O-N 3.48Å; V28-I30 HydrophobicContact CG2-CG2 4.32Å; I30-C34 HydrophobicContact CB-CB 4.19Å; I30-C35 HydrophobicContact CD1-CB 4.12Å; I30-C35 HydrophobicContact CG1-CB 4.29Å; I30-H38 HydrophobicContact CD1-CB 4Å
31C95Very high96.1Very high7 Ų711.7 Ų11.75%0.0477%0.068CC..  trans-81.3167.917268.60000111.4C11 V16 E33 C34 C35C11-C31 HydrophobicContact CB-CB 3.99Å; C11-C31 PolarHBondContact SG-N 3.45Å; V16-C31 HydrophobicContact CB-CB 4.17Å; V16-C31 HydrophobicContact CG1-CB 3.89Å; C31-E33 PolarHBondContact O-N 2.86Å; C31-C34 PolarHBondContact O-N 3.2Å; C31-C34 VanDerWaalsContact O-N 3.15Å; C31-C35 WeakPolarHBondContact O-CB 3.09Å; C31-C35 PolarHBondContact O-N 2.62Å
32D93.1Very high96Very high22 Ų2212 Ų1212%0.1187%0.071CC..Hα-helixtrans-56.7-43.5-175.8-58.5-101.2000113.8R20 W21 C34 C35 S36 W299 Q303R20-D32 IonicContact CZ-OD1 3.21Å; R20-D32 IonicContact CZ-OD2 3.33Å; R20-D32 IonicContact NE-OD1 2.72Å; R20-D32 PolarHBondContact NE-OD1 3.09Å; R20-D32 IonicContact NE-OD2 2.71Å; R20-D32 PolarHBondContact NE-OD2 2.89Å; R20-D32 IonicContact NH2-OD1 2.77Å; R20-D32 PolarHBondContact NH2-OD1 2.6Å; R20-D32 IonicContact NH2-OD2 2.81Å; R20-D32 PolarHBondContact NH2-OD2 3.42Å; W21-D32 PolarHBondContact NE1-OD1 3.06Å; D32-C34 VanDerWaalsContact C-N 3.35Å; D32-C34 PolarHBondContact O-N 2.89Å; D32-C35 WeakPolarHBondContact O-CB 3.19Å; D32-C35 PolarHBondContact O-N 3.03Å; D32-S36 PolarHBondContact O-N 3.21Å; D32-W299 HydrophobicContact CB-CH2 4.39Å; D32-W299 HydrophobicContact CB-CZ3 4.33Å; D32-W299 VanDerWaalsContact O-CH2 3.27Å; D32-W299 WeakPolarHBondContact O-CH2 3.43Å; D32-W299 WeakPolarHBondContact O-CZ3 3.4Å; D32-Q303 PolarHBondContact OD1-NE2 3.31Å
33E92.6Very high95.9Very high81 Ų8114.4 Ų14.438%0.3798%0.08SC..Hα-helixtrans-57-47.7175.8-80.7-173.1-134.400111.8C31 S36 L99 K103C31-E33 PolarHBondContact O-N 2.86Å; E33-S36 PolarHBondContact O-N 3.42Å; E33-S36 PolarHBondContact O-OG 3.26Å; E33-L99 HydrophobicContact CB-CD1 4.25Å; E33-L99 VanDerWaalsContact O-CD1 3.26Å; E33-L99 WeakPolarHBondContact O-CD1 3.39Å; E33-K103 IonicContact OE1-NZ 3.2Å; E33-K103 VanDerWaalsContact OE2-CD 3.28Å; E33-K103 WeakPolarHBondContact OE2-CD 3.34Å; E33-K103 WeakPolarHBondContact OE2-CE 3.33Å; E33-K103 IonicContact OE2-NZ 2.72Å; E33-K103 PolarHBondContact OE2-NZ 3.49Å
34C95.8Very high95.7Very high0 Ų018 Ų180%010%0.097CC..Hα-helixtrans-69-37.1178.1-62.40000111.4C11 D13 C14 I30 C31 D32 S36 V37 H38 I107C11-C34 VanDerWaalsContact SG-SG 3.68Å; D13-C34 HydrophobicContact CB-CB 4.42Å; C14-C34 PolarHBondContact SG-SG 3.49Å; I30-C34 HydrophobicContact CB-CB 4.19Å; C31-C34 PolarHBondContact O-N 3.2Å; C31-C34 VanDerWaalsContact O-N 3.15Å; D32-C34 VanDerWaalsContact C-N 3.35Å; D32-C34 PolarHBondContact O-N 2.89Å; C34-S36 VanDerWaalsContact C-N 3.3Å; C34-S36 PolarHBondContact O-N 3.19Å; C34-V37 PolarHBondContact O-N 3.08Å; C34-H38 PolarHBondContact O-CD2 2.73Å; C34-H38 VanDerWaalsContact O-CD2 3.23Å; C34-H38 PolarHBondContact O-N 2.91Å; C34-I107 HydrophobicContact CB-CD1 3.71Å
35C95.9Very high95.6Very high0 Ų018 Ų180%010%0.097CC..Hα-helixtrans-56.4-40.41731780000112.6W21 I30 C31 D32 V37 H38 R39 V48 W299W21-C35 HydrophobicContact CB-CB 4.12Å; W21-C35 HydrophobicContact CD2-CB 4.11Å; W21-C35 HydrophobicContact CG-CB 3.79Å; I30-C35 HydrophobicContact CD1-CB 4.12Å; I30-C35 HydrophobicContact CG1-CB 4.29Å; C31-C35 WeakPolarHBondContact O-CB 3.09Å; C31-C35 PolarHBondContact O-N 2.62Å; D32-C35 WeakPolarHBondContact O-CB 3.19Å; D32-C35 PolarHBondContact O-N 3.03Å; C35-V37 VanDerWaalsContact C-N 3.29Å; C35-V37 PolarHBondContact O-N 2.97Å; C35-H38 PolarHBondContact O-N 3.46Å; C35-H38 VanDerWaalsContact O-N 3.14Å; C35-R39 PolarHBondContact O-N 3.19Å; C35-V48 VanDerWaalsContact SG-CG1 3.56Å; C35-W299 HydrophobicContact CB-CZ3 4.23Å
36S93.8Very high95.6Very high5 Ų517.6 Ų17.64%0.03510%0.095CC..Hα-helixtrans-58.5-40.7177.475.10000112.4D32 E33 C34 G40D32-S36 PolarHBondContact O-N 3.21Å; E33-S36 PolarHBondContact O-N 3.42Å; E33-S36 PolarHBondContact O-OG 3.26Å; C34-S36 VanDerWaalsContact C-N 3.3Å; C34-S36 PolarHBondContact O-N 3.19Å; S36-G40 PolarHBondContact O-N 2.68Å
37V95.4Very high95.6Very high8 Ų818.6 Ų18.65%0.04810%0.101CC..Hα-helixtrans-69.5-43.6174.6-169.20000111.1C34 C35 R39 G40 L41 L99 I107C34-V37 PolarHBondContact O-N 3.08Å; C35-V37 VanDerWaalsContact C-N 3.29Å; C35-V37 PolarHBondContact O-N 2.97Å; V37-R39 VanDerWaalsContact C-N 3.35Å; V37-R39 PolarHBondContact O-N 2.92Å; V37-G40 CarbonylContact O-C 3.59Å; V37-G40 WeakPolarHBondContact O-CA 3.43Å; V37-G40 PolarHBondContact O-N 3.29Å; V37-L41 WeakPolarHBondContact O-CG 3.39Å; V37-L41 PolarHBondContact O-N 3.19Å; V37-L41 VanDerWaalsContact O-N 3.11Å; V37-L99 HydrophobicContact CG2-CD1 3.63Å; V37-I107 HydrophobicContact CB-CB 4.46Å; V37-I107 HydrophobicContact CB-CD1 3.91Å; V37-I107 HydrophobicContact CB-CG2 4.02Å; V37-I107 HydrophobicContact CG1-CB 4Å; V37-I107 HydrophobicContact CG1-CD1 4.36Å; V37-I107 HydrophobicContact CG1-CG2 3.58Å; V37-I107 HydrophobicContact CG2-CD1 4.01Å
38H97.3Very high95.7Very high0 Ų019.1 Ų19.10%010%0.104CC..Hα-helixtrans-60-40.9178.5-85.1-118.2000112.8D13 I30 C34 C35 G40 L41 S46 V48 Y111D13-H38 IonicContact OD2-NE2 3.49Å; D13-H38 PolarHBondContact OD2-NE2 2.64Å; I30-H38 HydrophobicContact CD1-CB 4Å; C34-H38 PolarHBondContact O-CD2 2.73Å; C34-H38 VanDerWaalsContact O-CD2 3.23Å; C34-H38 PolarHBondContact O-N 2.91Å; C35-H38 PolarHBondContact O-N 3.46Å; C35-H38 VanDerWaalsContact O-N 3.14Å; H38-G40 VanDerWaalsContact C-N 3.26Å; H38-G40 PolarHBondContact O-N 2.91Å; H38-L41 WeakPolarHBondContact O-CB 3.23Å; H38-L41 PolarHBondContact O-N 2.85Å; H38-L41 VanDerWaalsContact O-N 3.08Å; H38-S46 WeakPolarHBondContact ND1-CB 3.45Å; H38-S46 PolarHBondContact ND1-OG 3.31Å; H38-V48 HydrophobicContact CB-CG2 3.8Å; H38-Y111 AromaticContact CE1-CD2 3.55Å; H38-Y111 AromaticContact CE1-CE2 3.26Å; H38-Y111 WeakPolarHBondContact CE1-CE2 3.45Å; H38-Y111 AromaticContact CE1-CZ 3.79Å; H38-Y111 AromaticContact NE2-CD2 3.53Å; H38-Y111 AromaticContact NE2-CE2 3.18Å; H38-Y111 WeakPolarHBondContact NE2-CE2 3.21Å
39R95.6Very high95.7Very high21 Ų2120.6 Ų20.68%0.07911%0.11CC..Hα-helixtrans-57-41.2171.6-75.3170.159.8-122.50.8111C35 V37 L41 G42 V48 T295 D296 T313 V315 P319C35-R39 PolarHBondContact O-N 3.19Å; V37-R39 VanDerWaalsContact C-N 3.35Å; V37-R39 PolarHBondContact O-N 2.92Å; R39-L41 VanDerWaalsContact C-N 3.31Å; R39-L41 PolarHBondContact O-N 2.86Å; R39-G42 PolarHBondContact O-N 3.13Å; R39-V48 HydrophobicContact CG-CG1 4.42Å; R39-T295 HydrophobicContact CG-CG2 4.02Å; R39-D296 IonicContact CZ-OD1 2.74Å; R39-D296 IonicContact NE-OD1 2.75Å; R39-D296 IonicContact NH2-OD1 3.37Å; R39-D296 PolarHBondContact NH2-OD1 3.31Å; R39-T313 PolarHBondContact NH1-O 2.8Å; R39-V315 HydrophobicContact CB-CG2 3.97Å; R39-P319 WeakPolarHBondContact O-CG 3.38Å
40G93.6Very high95.7Very high42 Ų4220.1 Ų20.143%0.43311%0.107SC..Hα-helixtrans-69.3-16.9175.300000115.8S36 V37 H38S36-G40 PolarHBondContact O-N 2.68Å; V37-G40 CarbonylContact O-C 3.59Å; V37-G40 WeakPolarHBondContact O-CA 3.43Å; V37-G40 PolarHBondContact O-N 3.29Å; H38-G40 VanDerWaalsContact C-N 3.26Å; H38-G40 PolarHBondContact O-N 2.91Å
41L95.1Very high95.6Very high9 Ų922.1 Ų22.15%0.04712%0.117CC..Hα-helixtrans-79.8-24.2172.8-54.7-174.9000112.7V37 H38 R39 H44 I107 R108V37-L41 WeakPolarHBondContact O-CG 3.39Å; V37-L41 PolarHBondContact O-N 3.19Å; V37-L41 VanDerWaalsContact O-N 3.11Å; H38-L41 WeakPolarHBondContact O-CB 3.23Å; H38-L41 PolarHBondContact O-N 2.85Å; H38-L41 VanDerWaalsContact O-N 3.08Å; R39-L41 VanDerWaalsContact C-N 3.31Å; R39-L41 PolarHBondContact O-N 2.86Å; L41-H44 PolarHBondContact O-CE1 2.79Å; L41-I107 HydrophobicContact CD1-CG2 4Å; L41-R108 HydrophobicContact CD2-CG 3.87Å
42G95.1Very high95.5Very high7 Ų727.2 Ų27.27%0.07215%0.148CC..  trans77162.3-175.500000114.7R39 H44 S45 S46R39-G42 PolarHBondContact O-N 3.13Å; G42-H44 VanDerWaalsContact C-N 3.29Å; G42-H44 PolarHBondContact O-N 3.43Å; G42-S45 PolarHBondContact O-N 3.11Å; G42-S46 PolarHBondContact O-N 3.13Å
43R96.4Very high95.5Very high51 Ų5131.4 Ų31.419%0.19217%0.167CC..THydrogen-bonded Turntrans-61.1-30.5-168-56.9-177.376.9-109.6-12.1114.8S45 S46 Q47 D288 D291R43-S45 PolarHBondContact O-N 3.11Å; R43-S46 WeakPolarHBondContact CA-O 3.3Å; R43-Q47 WeakPolarHBondContact O-CG 3.37Å; R43-D288 WeakPolarHBondContact CD-OD1 3.33Å; R43-D288 IonicContact CZ-OD1 2.76Å; R43-D288 IonicContact NE-OD1 2.74Å; R43-D288 IonicContact NH1-OD1 2.79Å; R43-D288 PolarHBondContact NH1-OD1 3.18Å; R43-D291 WeakPolarHBondContact CD-OD2 3.45Å; R43-D291 IonicContact CZ-OD2 3.74Å; R43-D291 IonicContact NE-OD2 3.97Å; R43-D291 PolarHBondContact NE-OD2 3.26Å
44H94.5Very high95.5Very high76 Ų7628.9 Ų28.935%0.35216%0.158SC..THydrogen-bonded Turntrans-60.5-31.4175.670.9-86.9000112.1L41 G42 V320 N321L41-H44 PolarHBondContact O-CE1 2.79Å; G42-H44 VanDerWaalsContact C-N 3.29Å; G42-H44 PolarHBondContact O-N 3.43Å; H44-V320 PolarHBondContact CE1-O 3.42Å; H44-N321 PolarHBondContact CD2-OD1 2.97Å
45S95.7Very high95.2Very high5 Ų533.5 Ų33.54%0.03519%0.187CC..THydrogen-bonded Turntrans-96.8-43.9175.1-174.10000112.3N25 R26 G42 R43N25-S45 PolarHBondContact ND2-O 3.48Å; N25-S45 VanDerWaalsContact ND2-O 3.14Å; R26-S45 VanDerWaalsContact CZ-O 3.32Å; R26-S45 PolarHBondContact NE-O 3.46Å; R26-S45 PolarHBondContact NH2-O 3.45Å; R26-S45 PolarHBondContact NH2-OG 3.37Å; G42-S45 PolarHBondContact O-N 3.11Å; R43-S45 PolarHBondContact O-N 3.11Å
46S97.6Very high95.2Very high2 Ų235.4 Ų35.41%0.01419%0.194CC..  trans-144.4115.9-180173.60000112.2S23 N25 H38 G42 R43 V48S23-S46 PolarHBondContact OG-OG 3.12Å; N25-S46 WeakPolarHBondContact OD1-CA 3.24Å; H38-S46 WeakPolarHBondContact ND1-CB 3.45Å; H38-S46 PolarHBondContact ND1-OG 3.31Å; G42-S46 PolarHBondContact O-N 3.13Å; R43-S46 WeakPolarHBondContact CA-O 3.3Å; S46-V48 PolarHBondContact O-N 3.46Å; S46-V48 WeakPolarHBondContact OG-CG2 3.42Å
47Q97.6Very high95.2Very high42 Ų4235.9 Ų35.920%0.19620%0.197CC..  trans-82.9109.5169.2-59.8175.118.900108.8S23 V24 N25 R43 V188S23-Q47 CarbonylContact C-O 3.59Å; S23-Q47 WeakPolarHBondContact CA-O 3.47Å; V24-Q47 HydrophobicContact CB-CB 4.3Å; V24-Q47 PolarHBondContact N-O 3.41Å; N25-Q47 HydrophobicContact CB-CG 4.24Å; N25-Q47 PolarHBondContact OD1-N 3.15Å; R43-Q47 WeakPolarHBondContact O-CG 3.37Å; Q47-V188 PolarHBondContact NE2-O 2.9Å
48V97.4Very high95.3Very high11 Ų1140.4 Ų40.47%0.06723%0.227CC..EExtended strand (participates in β ladder)trans-99.9136.4-171.1178.40000111.2W21 A22 C35 H38 R39 S46W21-V48 HydrophobicContact CE3-CG1 3.62Å; W21-V48 HydrophobicContact CZ3-CG1 4.03Å; A22-V48 WeakPolarHBondContact O-CA 3.47Å; C35-V48 VanDerWaalsContact SG-CG1 3.56Å; H38-V48 HydrophobicContact CB-CG2 3.8Å; R39-V48 HydrophobicContact CG-CG1 4.42Å; S46-V48 PolarHBondContact O-N 3.46Å; S46-V48 WeakPolarHBondContact OG-CG2 3.42Å
49R97.3Very high95.3Very high31 Ų3142 Ų4212%0.11724%0.236CC..EExtended strand (participates in β ladder)trans-145.8138.2177-160.5171.4-170.5136.518.1110.4A22 V24 T55 W56A22-R49 PolarHBondContact N-O 3.02Å; A22-R49 PolarHBondContact O-N 2.9Å; V24-R49 HydrophobicContact CG2-CB 4.08Å; R49-T55 PolarHBondContact NE-O 3.48Å; R49-T55 PolarHBondContact NH2-O 3.18Å; R49-W56 HydrophobicContact CB-CH2 3.97Å; R49-W56 HydrophobicContact CB-CZ2 3.6Å; R49-W56 HydrophobicContact CG-CD2 4.31Å; R49-W56 HydrophobicContact CG-CH2 4.18Å; R49-W56 HydrophobicContact CG-CZ2 3.61Å
50H97.3Very high95.4Very high3 Ų341.9 Ų41.91%0.01424%0.237CC..EExtended strand (participates in β ladder)trans-83.1136.3179.4-169.9-53.2000109.9R20 W21 T52 H53 S54 W56 V298R20-H50 PolarHBondContact O-CE1 3.24Å; R20-H50 PolarHBondContact O-ND1 2.89Å; W21-H50 HydrophobicContact CD2-CB 4.07Å; W21-H50 AromaticContact CD2-CD2 3.92Å; W21-H50 AromaticContact CE2-CD2 3.48Å; W21-H50 VanDerWaalsContact CE2-CD2 3.48Å; W21-H50 HydrophobicContact CE3-CB 3.7Å; W21-H50 HydrophobicContact CH2-CB 4.13Å; W21-H50 HydrophobicContact CZ2-CB 4.44Å; W21-H50 AromaticContact CZ2-CD2 3.55Å; W21-H50 HydrophobicContact CZ3-CB 3.74Å; W21-H50 AromaticContact NE1-CD2 3.83Å; H50-T52 PolarHBondContact CE1-OG1 3.28Å; H50-T52 PolarHBondContact ND1-N 3.37Å; H50-T52 VanDerWaalsContact ND1-N 3.15Å; H50-T52 PolarHBondContact ND1-OG1 3.09Å; H50-T52 PolarHBondContact O-N 3.05Å; H50-H53 HydrophobicContact CB-CB 4.35Å; H50-H53 AromaticContact CE1-CD2 3.7Å; H50-H53 PolarHBondContact ND1-N 2.89Å; H50-H53 AromaticContact NE2-CD2 3.88Å; H50-S54 PolarHBondContact N-OG 3.33Å; H50-S54 VanDerWaalsContact N-OG 3.07Å; H50-S54 VanDerWaalsContact O-CB 3.3Å; H50-S54 WeakPolarHBondContact O-CB 3.46Å; H50-S54 PolarHBondContact O-N 2.62Å; H50-S54 PolarHBondContact O-OG 3.23Å; H50-W56 PolarHBondContact O-NE1 2.84Å; H50-V298 HydrophobicContact CB-CG1 3.67Å
51L95.4Very high95.5Very high42 Ų4241.7 Ų41.722%0.2223%0.225CC..THydrogen-bonded Turntrans-63.7-43-174-66.1177.3000114.4P19 R20 A22 L29 W56 L61P19-L51 WeakPolarHBondContact O-CD1 3.42Å; R20-L51 WeakPolarHBondContact O-CB 3.4Å; R20-L51 WeakPolarHBondContact O-CG 3.41Å; R20-L51 PolarHBondContact O-N 2.97Å; A22-L51 HydrophobicContact CB-CD2 4.07Å; L29-L51 HydrophobicContact CD2-CD1 4.27Å; L29-L51 HydrophobicContact CD2-CD2 4Å; L51-W56 HydrophobicContact CD2-CZ2 4.01Å; L51-W56 PolarHBondContact O-NE1 2.83Å; L51-L61 HydrophobicContact CD2-CD1 3.85Å
52T93.8Very high95.6Very high113 Ų11346.2 Ų46.269%0.69325%0.246SC*.THydrogen-bonded Turntrans-104-33.4179.753.50000115.6H50H50-T52 PolarHBondContact CE1-OG1 3.28Å; H50-T52 PolarHBondContact ND1-N 3.37Å; H50-T52 VanDerWaalsContact ND1-N 3.15Å; H50-T52 PolarHBondContact ND1-OG1 3.09Å; H50-T52 PolarHBondContact O-N 3.05Å
53H92.9Very high95.7Very high110 Ų11045.9 Ų45.951%0.50924%0.243SC..THydrogen-bonded Turntrans-91.9-7.7-174.9-74.9-94.8000114.9H50 V298 T302H50-H53 HydrophobicContact CB-CB 4.35Å; H50-H53 AromaticContact CE1-CD2 3.7Å; H50-H53 PolarHBondContact ND1-N 2.89Å; H50-H53 AromaticContact NE2-CD2 3.88Å; H53-V298 HydrophobicContact CB-CG1 3.72Å; H53-T302 HydrophobicContact CB-CG2 4.04Å; H53-T302 VanDerWaalsContact CD2-CG2 3.48Å; H53-T302 WeakPolarHBondContact CD2-CG2 3.24Å
54S91.8Very high95.8Very high29 Ų2943.5 Ų43.520%0.20323%0.234CC..SBendtrans-97.3147.7165.4-54.90000109.7H50 W56H50-S54 PolarHBondContact N-OG 3.33Å; H50-S54 VanDerWaalsContact N-OG 3.07Å; H50-S54 VanDerWaalsContact O-CB 3.3Å; H50-S54 WeakPolarHBondContact O-CB 3.46Å; H50-S54 PolarHBondContact O-N 2.62Å; H50-S54 PolarHBondContact O-OG 3.23Å; S54-W56 VanDerWaalsContact O-CD1 3.29Å
55T90.3Very high95.8Very high97 Ų9744.4 Ų44.460%0.59524%0.238SC*.  trans-63.4149.8161.554.50000109.5R49R49-T55 PolarHBondContact NE-O 3.48Å; R49-T55 PolarHBondContact NH2-O 3.18Å
56W94.7Very high95.8Very high39 Ų3946.1 Ų46.115%0.14825%0.249CC..  trans-138137.1176.6-78.485.4000111.3A22 V24 R49 H50 L51 S54 Q60 L61 V64A22-W56 HydrophobicContact CB-CH2 3.81Å; A22-W56 HydrophobicContact CB-CZ2 4.04Å; V24-W56 HydrophobicContact CG2-CH2 3.99Å; V24-W56 HydrophobicContact CG2-CZ3 4.31Å; R49-W56 HydrophobicContact CB-CH2 3.97Å; R49-W56 HydrophobicContact CB-CZ2 3.6Å; R49-W56 HydrophobicContact CG-CD2 4.31Å; R49-W56 HydrophobicContact CG-CH2 4.18Å; R49-W56 HydrophobicContact CG-CZ2 3.61Å; H50-W56 PolarHBondContact O-NE1 2.84Å; L51-W56 HydrophobicContact CD2-CZ2 4.01Å; L51-W56 PolarHBondContact O-NE1 2.83Å; S54-W56 VanDerWaalsContact O-CD1 3.29Å; W56-Q60 HydrophobicContact CE3-CB 4.47Å; W56-Q60 HydrophobicContact CE3-CG 4.4Å; W56-Q60 HydrophobicContact CZ3-CG 4.27Å; W56-L61 HydrophobicContact CB-CB 4.31Å; W56-L61 HydrophobicContact CD2-CB 4.02Å; W56-L61 HydrophobicContact CD2-CD1 4.06Å; W56-L61 HydrophobicContact CD2-CG 4.45Å; W56-L61 HydrophobicContact CE3-CB 3.63Å; W56-L61 HydrophobicContact CE3-CD1 4.04Å; W56-L61 HydrophobicContact CE3-CG 4.38Å; W56-L61 HydrophobicContact CG-CB 4.34Å; W56-L61 HydrophobicContact CG-CD2 4.45Å; W56-L61 HydrophobicContact CH2-CD1 4.15Å; W56-L61 HydrophobicContact CZ2-CD1 4.19Å; W56-L61 HydrophobicContact CZ3-CB 4.21Å; W56-L61 HydrophobicContact CZ3-CD1 4.08Å; W56-V64 HydrophobicContact CZ3-CG2 4.35Å
57P95.2Very high95.7Very high15 Ų1546.1 Ų46.110%0.09725%0.249CC..  trans-63.2126.6155-14.429.1000108.8T59 Q60 L61 R218P57-T59 PolarHBondContact O-N 3.09Å; P57-Q60 HydrophobicContact CB-CB 3.98Å; P57-Q60 HydrophobicContact CG-CB 4.13Å; P57-Q60 PolarHBondContact O-N 3.15Å; P57-Q60 VanDerWaalsContact O-N 3.08Å; P57-L61 PolarHBondContact O-N 3.02Å; P57-L61 VanDerWaalsContact O-N 3.13Å; P57-R218 VanDerWaalsContact CB-CZ 3.41Å
58P96.3Very high95.6Very high104 Ų10444.4 Ų44.468%0.67524%0.24SC*.Hα-helixtrans-57.8-37.6-176.1-27.135.2000113.2L61 Q62P58-L61 PolarHBondContact O-N 2.98Å; P58-Q62 VanDerWaalsContact O-CB 3.31Å; P58-Q62 WeakPolarHBondContact O-CB 3.4Å; P58-Q62 PolarHBondContact O-N 3.04Å
59T97.3Very high95.3Very high32 Ų3247 Ų4720%0.19626%0.258CS..Hα-helixtrans-63.8-38.7176.846.30000112.9P57 M63 V180 E184 R218P57-T59 PolarHBondContact O-N 3.09Å; T59-M63 WeakPolarHBondContact O-CB 3.42Å; T59-M63 PolarHBondContact O-N 3.47Å; T59-V180 HydrophobicContact CG2-CG1 3.51Å; T59-E184 VanDerWaalsContact CB-OE1 3.28Å; T59-E184 WeakPolarHBondContact CB-OE1 3.27Å; T59-E184 PolarHBondContact OG1-OE1 3.3Å; T59-R218 PolarHBondContact OG1-NE 3.46Å
60Q97.7Very high95Very high20 Ų2050.5 Ų50.59%0.09328%0.28CS..Hα-helixtrans-70.1-42.6176.1-170.2171.197.500111.7V24 W56 P57 M63 V64 E184V24-Q60 HydrophobicContact CG1-CG 4.28Å; W56-Q60 HydrophobicContact CE3-CB 4.47Å; W56-Q60 HydrophobicContact CE3-CG 4.4Å; W56-Q60 HydrophobicContact CZ3-CG 4.27Å; P57-Q60 HydrophobicContact CB-CB 3.98Å; P57-Q60 HydrophobicContact CG-CB 4.13Å; P57-Q60 PolarHBondContact O-N 3.15Å; P57-Q60 VanDerWaalsContact O-N 3.08Å; Q60-M63 HydrophobicContact CG-CE 4.3Å; Q60-M63 WeakPolarHBondContact O-CB 3.44Å; Q60-M63 PolarHBondContact O-N 3.31Å; Q60-V64 WeakPolarHBondContact O-CG2 3.38Å; Q60-V64 PolarHBondContact O-N 3.17Å; Q60-V64 VanDerWaalsContact O-N 3.09Å; Q60-E184 WeakPolarHBondContact CB-OE2 3.4Å; Q60-E184 PolarHBondContact N-OE1 3.16Å; Q60-E184 PolarHBondContact NE2-OE2 3.48Å
61L96.5Very high94.6Very high37 Ų3751.3 Ų51.319%0.19429%0.289CS..Hα-helixtrans-63.8-43.7175.5-179.157.4000110.9L51 W56 P57 P58 M63 V64 Q65L51-L61 HydrophobicContact CD2-CD1 3.85Å; W56-L61 HydrophobicContact CB-CB 4.31Å; W56-L61 HydrophobicContact CD2-CB 4.02Å; W56-L61 HydrophobicContact CD2-CD1 4.06Å; W56-L61 HydrophobicContact CD2-CG 4.45Å; W56-L61 HydrophobicContact CE3-CB 3.63Å; W56-L61 HydrophobicContact CE3-CD1 4.04Å; W56-L61 HydrophobicContact CE3-CG 4.38Å; W56-L61 HydrophobicContact CG-CB 4.34Å; W56-L61 HydrophobicContact CG-CD2 4.45Å; W56-L61 HydrophobicContact CH2-CD1 4.15Å; W56-L61 HydrophobicContact CZ2-CD1 4.19Å; W56-L61 HydrophobicContact CZ3-CB 4.21Å; W56-L61 HydrophobicContact CZ3-CD1 4.08Å; P57-L61 PolarHBondContact O-N 3.02Å; P57-L61 VanDerWaalsContact O-N 3.13Å; P58-L61 PolarHBondContact O-N 2.98Å; L61-M63 VanDerWaalsContact C-N 3.34Å; L61-M63 PolarHBondContact O-N 3.01Å; L61-V64 PolarHBondContact O-N 3.27Å; L61-Q65 HydrophobicContact CD1-CG 4.24Å; L61-Q65 HydrophobicContact CG-CG 4.49Å; L61-Q65 WeakPolarHBondContact O-CB 3.44Å; L61-Q65 VanDerWaalsContact O-CG 3.31Å; L61-Q65 WeakPolarHBondContact O-CG 3.01Å; L61-Q65 PolarHBondContact O-N 3.36Å
62Q96.9Very high94.4Very high105 Ų10549.3 Ų49.349%0.49128%0.279SS..Hα-helixtrans-59.8-41.9174.3-175-177.97.300111.7P58 Q65 T66P58-Q62 VanDerWaalsContact O-CB 3.31Å; P58-Q62 WeakPolarHBondContact O-CB 3.4Å; P58-Q62 PolarHBondContact O-N 3.04Å; Q62-Q65 PolarHBondContact O-N 2.99Å; Q62-T66 WeakPolarHBondContact O-CB 3.25Å; Q62-T66 PolarHBondContact O-N 3.36Å; Q62-T66 PolarHBondContact O-OG1 3.47Å
63M97.9Very high94.4Very high0 Ų044.3 Ų44.30%025%0.248CC..Hα-helixtrans-59-49176176.9-80.4-71.700111.4V24 T59 Q60 L61 T66 L67 L146 S181 E184 L185 V188V24-M63 HydrophobicContact CG1-CE 4.21Å; T59-M63 WeakPolarHBondContact O-CB 3.42Å; T59-M63 PolarHBondContact O-N 3.47Å; Q60-M63 HydrophobicContact CG-CE 4.3Å; Q60-M63 WeakPolarHBondContact O-CB 3.44Å; Q60-M63 PolarHBondContact O-N 3.31Å; L61-M63 VanDerWaalsContact C-N 3.34Å; L61-M63 PolarHBondContact O-N 3.01Å; M63-T66 PolarHBondContact O-N 3.39Å; M63-L67 PolarHBondContact O-N 3.25Å; M63-L67 HydrophobicContact SD-CD1 3.51Å; M63-L67 VanDerWaalsContact SD-CD1 3.51Å; M63-L67 HydrophobicContact SD-CG 4.4Å; M63-L146 HydrophobicContact CG-CD1 4.37Å; M63-S181 VanDerWaalsContact CG-O 3.26Å; M63-S181 WeakPolarHBondContact CG-O 3.35Å; M63-E184 HydrophobicContact CB-CB 4.06Å; M63-E184 HydrophobicContact CE-CB 4.18Å; M63-E184 HydrophobicContact CG-CB 3.99Å; M63-L185 HydrophobicContact CG-CB 4.24Å; M63-L185 HydrophobicContact SD-CB 4.23Å; M63-V188 HydrophobicContact CE-CG2 4Å
64V97.4Very high94.4Very high0 Ų040.8 Ų40.80%024%0.235CC..Hα-helixtrans-65-44.2178.6176.20000111.8A22 V24 L29 W56 Q60 L61 T66 L67 Y68A22-V64 HydrophobicContact CB-CG1 4.14Å; V24-V64 HydrophobicContact CB-CG2 4.34Å; V24-V64 HydrophobicContact CG1-CG2 3.86Å; L29-V64 HydrophobicContact CD2-CG1 4.21Å; W56-V64 HydrophobicContact CZ3-CG2 4.35Å; Q60-V64 WeakPolarHBondContact O-CG2 3.38Å; Q60-V64 PolarHBondContact O-N 3.17Å; Q60-V64 VanDerWaalsContact O-N 3.09Å; L61-V64 PolarHBondContact O-N 3.27Å; V64-T66 VanDerWaalsContact C-N 3.31Å; V64-T66 PolarHBondContact O-N 3.18Å; V64-L67 PolarHBondContact O-N 3.12Å; V64-Y68 PolarHBondContact O-N 3.13Å
65Q94.8Very high94.6Very high96 Ų9639.8 Ų39.845%0.44923%0.228SC..Hα-helixtrans-62.9-37.5175.9-72.1174.5-11.200112L61 Q62 S69L61-Q65 HydrophobicContact CD1-CG 4.24Å; L61-Q65 HydrophobicContact CG-CG 4.49Å; L61-Q65 WeakPolarHBondContact O-CB 3.44Å; L61-Q65 VanDerWaalsContact O-CG 3.31Å; L61-Q65 WeakPolarHBondContact O-CG 3.01Å; L61-Q65 PolarHBondContact O-N 3.36Å; Q62-Q65 PolarHBondContact O-N 2.99Å; Q65-S69 VanDerWaalsContact O-CB 3.24Å; Q65-S69 WeakPolarHBondContact O-CB 3.26Å; Q65-S69 PolarHBondContact O-N 3.27Å; Q65-S69 PolarHBondContact O-OG 3.15Å
66T95.5Very high94.8Very high41 Ų4135.3 Ų35.325%0.25220%0.2SC..Hα-helixtrans-70-40.2177.6-55.80000111.2Q62 M63 V64 S69 N70 L146Q62-T66 WeakPolarHBondContact O-CB 3.25Å; Q62-T66 PolarHBondContact O-N 3.36Å; Q62-T66 PolarHBondContact O-OG1 3.47Å; M63-T66 PolarHBondContact O-N 3.39Å; V64-T66 VanDerWaalsContact C-N 3.31Å; V64-T66 PolarHBondContact O-N 3.18Å; T66-S69 WeakPolarHBondContact CA-OG 3.46Å; T66-S69 PolarHBondContact O-OG 2.76Å; T66-N70 WeakPolarHBondContact CG2-ND2 3.27Å; T66-N70 WeakPolarHBondContact O-CB 3.41Å; T66-N70 PolarHBondContact O-N 3.45Å; T66-N70 VanDerWaalsContact O-N 3.15Å; T66-N70 PolarHBondContact O-ND2 3.1Å; T66-L146 HydrophobicContact CG2-CD1 3.66Å
67L96.1Very high94.8Very high2 Ų234 Ų341%0.0120%0.195CC..Hα-helixtrans-61.1-49.3171.6-83.3171.3000111.8M63 V64 N70 G71 A72 L146 L150 L185M63-L67 PolarHBondContact O-N 3.25Å; M63-L67 HydrophobicContact SD-CD1 3.51Å; M63-L67 VanDerWaalsContact SD-CD1 3.51Å; M63-L67 HydrophobicContact SD-CG 4.4Å; V64-L67 PolarHBondContact O-N 3.12Å; L67-N70 PolarHBondContact O-N 2.82Å; L67-G71 PolarHBondContact O-N 3.15Å; L67-A72 HydrophobicContact CB-CB 3.99Å; L67-A72 HydrophobicContact CD2-CB 4.25Å; L67-A72 VanDerWaalsContact O-CB 3.23Å; L67-A72 WeakPolarHBondContact O-CB 3.47Å; L67-A72 PolarHBondContact O-N 3.28Å; L67-L146 HydrophobicContact CD2-CB 3.5Å; L67-L146 VanDerWaalsContact CD2-CB 3.5Å; L67-L146 HydrophobicContact CG-CB 3.98Å; L67-L146 HydrophobicContact CG-CD1 4.21Å; L67-L150 HydrophobicContact CD1-CD2 4.22Å; L67-L150 HydrophobicContact CD2-CB 3.96Å; L67-L150 HydrophobicContact CD2-CD2 3.76Å; L67-L150 HydrophobicContact CD2-CG 4.47Å; L67-L185 HydrophobicContact CD1-CD1 4.18Å
68Y94.8Very high94.7Very high6 Ų636.2 Ų36.22%0.02420%0.204CC..Hα-helixtrans-69-41.9-174.4-167.1-128.6000112.5N7 L10 A12 G27 V28 L29 V64 N70 G71 N73N7-Y68 WeakPolarHBondContact O-CE1 3.43Å; N7-Y68 PolarHBondContact O-OH 3.12Å; L10-Y68 WeakPolarHBondContact O-CE1 3.34Å; L10-Y68 PolarHBondContact O-OH 2.86Å; A12-Y68 WeakPolarHBondContact CA-OH 3.27Å; A12-Y68 HydrophobicContact CB-CE2 3.74Å; A12-Y68 PolarHBondContact N-OH 3.28Å; G27-Y68 WeakPolarHBondContact O-CA 3.46Å; G27-Y68 WeakPolarHBondContact O-CB 3.27Å; G27-Y68 PolarHBondContact O-N 3.28Å; V28-Y68 HydrophobicContact CB-CD2 3.98Å; V28-Y68 HydrophobicContact CB-CE2 4.14Å; V28-Y68 HydrophobicContact CG1-CD2 3.92Å; V28-Y68 HydrophobicContact CG1-CE2 4.12Å; L29-Y68 HydrophobicContact CB-CD1 3.89Å; L29-Y68 HydrophobicContact CB-CE1 3.83Å; L29-Y68 HydrophobicContact CD1-CD1 3.78Å; L29-Y68 HydrophobicContact CD1-CE1 4.21Å; L29-Y68 HydrophobicContact CG-CD1 3.55Å; L29-Y68 HydrophobicContact CG-CE1 4.02Å; L29-Y68 HydrophobicContact CG-CG 4.17Å; V64-Y68 PolarHBondContact O-N 3.13Å; Y68-N70 VanDerWaalsContact C-N 3.35Å; Y68-N70 PolarHBondContact O-N 3.39Å; Y68-G71 PolarHBondContact O-N 2.87Å; Y68-G71 VanDerWaalsContact O-N 3.08Å; Y68-N73 HydrophobicContact CE2-CB 4.2Å
69S92.2Very high94.4Very high64 Ų6432.4 Ų32.445%0.44818%0.18SC..Hα-helixtrans-65.5-33.5176.556.90000113.6T8 Q65 T66 G71T8-S69 VanDerWaalsContact CG2-CB 3.44Å; Q65-S69 VanDerWaalsContact O-CB 3.24Å; Q65-S69 WeakPolarHBondContact O-CB 3.26Å; Q65-S69 PolarHBondContact O-N 3.27Å; Q65-S69 PolarHBondContact O-OG 3.15Å; T66-S69 WeakPolarHBondContact CA-OG 3.46Å; T66-S69 PolarHBondContact O-OG 2.76Å; S69-G71 VanDerWaalsContact C-N 3.26Å; S69-G71 PolarHBondContact O-N 3.24Å
70N90.8Very high94Very high106 Ų10632.5 Ų32.557%0.56718%0.179SC*.THydrogen-bonded Turntrans-84.37.5172.8-68.3-62.7000113.7T66 L67 Y68T66-N70 WeakPolarHBondContact CG2-ND2 3.27Å; T66-N70 WeakPolarHBondContact O-CB 3.41Å; T66-N70 PolarHBondContact O-N 3.45Å; T66-N70 VanDerWaalsContact O-N 3.15Å; T66-N70 PolarHBondContact O-ND2 3.1Å; L67-N70 PolarHBondContact O-N 2.82Å; Y68-N70 VanDerWaalsContact C-N 3.35Å; Y68-N70 PolarHBondContact O-N 3.39Å
71G87.8Confident93.4Very high20 Ų2036.8 Ų36.821%0.20620%0.202CC..THydrogen-bonded Turntrans86.428.8167.600000115.7L67 Y68 S69 N73 S74L67-G71 PolarHBondContact O-N 3.15Å; Y68-G71 PolarHBondContact O-N 2.87Å; Y68-G71 VanDerWaalsContact O-N 3.08Å; S69-G71 VanDerWaalsContact C-N 3.26Å; S69-G71 PolarHBondContact O-N 3.24Å; G71-N73 PolarHBondContact O-N 3.02Å; G71-S74 WeakPolarHBondContact O-CB 3.48Å; G71-S74 PolarHBondContact O-N 3.5Å; G71-S74 PolarHBondContact O-OG 2.83Å
72A92.3Very high92.7Very high0 Ų038.4 Ų38.40%021%0.211CC..THydrogen-bonded Turntrans-46.6-31.1172.400000114L67 S74 I75 L150L67-A72 HydrophobicContact CB-CB 3.99Å; L67-A72 HydrophobicContact CD2-CB 4.25Å; L67-A72 VanDerWaalsContact O-CB 3.23Å; L67-A72 WeakPolarHBondContact O-CB 3.47Å; L67-A72 PolarHBondContact O-N 3.28Å; A72-S74 PolarHBondContact O-N 3.24Å; A72-S74 VanDerWaalsContact O-N 3.1Å; A72-I75 WeakPolarHBondContact O-CB 3.18Å; A72-I75 PolarHBondContact O-N 2.93Å; A72-L150 HydrophobicContact CB-CD2 3.71Å
73N93.4Very high91.8Very high8 Ų838.6 Ų38.64%0.04322%0.221CC..Hα-helixtrans-58.2-22.7175.5-15953.7000114.3A12 V28 Y68 G71 I75 W76 E77 K110A12-N73 PolarHBondContact O-ND2 2.88Å; V28-N73 HydrophobicContact CG1-CB 4.17Å; Y68-N73 HydrophobicContact CE2-CB 4.2Å; G71-N73 PolarHBondContact O-N 3.02Å; N73-I75 VanDerWaalsContact C-N 3.27Å; N73-I75 PolarHBondContact O-N 3.36Å; N73-W76 PolarHBondContact O-N 3.04Å; N73-E77 PolarHBondContact ND2-OE1 3.39Å; N73-E77 PolarHBondContact ND2-OE2 2.92Å; N73-E77 WeakPolarHBondContact O-CB 3.5Å; N73-E77 PolarHBondContact O-N 2.8Å; N73-K110 WeakPolarHBondContact OD1-CE 3.3Å; N73-K110 PolarHBondContact OD1-NZ 3.4Å
74S93.4Very high90.8Very high35 Ų3542.3 Ų42.325%0.24525%0.252CS..Hα-helixtrans-70.2-19175.966.80000114G71 A72 H78G71-S74 WeakPolarHBondContact O-CB 3.48Å; G71-S74 PolarHBondContact O-N 3.5Å; G71-S74 PolarHBondContact O-OG 2.83Å; A72-S74 PolarHBondContact O-N 3.24Å; A72-S74 VanDerWaalsContact O-N 3.1Å; S74-H78 WeakPolarHBondContact O-CA 3.43Å; S74-H78 WeakPolarHBondContact O-CB 3.48Å; S74-H78 PolarHBondContact O-N 2.95Å; S74-H78 VanDerWaalsContact O-N 3.15Å
75I94.7Very high89.4Confident9 Ų943.7 Ų43.75%0.04626%0.262CS..Hα-helixtrans-67.7-46.9169.5-60.6167.4000109.1A72 N73 E147 L150 R151 S154A72-I75 WeakPolarHBondContact O-CB 3.18Å; A72-I75 PolarHBondContact O-N 2.93Å; N73-I75 VanDerWaalsContact C-N 3.27Å; N73-I75 PolarHBondContact O-N 3.36Å; I75-E147 HydrophobicContact CD1-CG 4.44Å; I75-L150 HydrophobicContact CD1-CB 4.14Å; I75-L150 HydrophobicContact CD1-CD2 3.84Å; I75-L150 HydrophobicContact CD1-CG 3.86Å; I75-R151 HydrophobicContact CD1-CB 3.93Å; I75-R151 HydrophobicContact CG1-CB 4.32Å; I75-R151 HydrophobicContact CG1-CG 4.45Å; I75-S154 WeakPolarHBondContact CG2-OG 3.37Å
76W95.9Very high88Confident3 Ų343.7 Ų43.71%0.01127%0.268CS..Hα-helixtrans-80.8-13-176.6-45.4124.5000114.3R26 N73 K110 Y111 L114 V117 L150R26-W76 HydrophobicContact CB-CZ2 4.36Å; R26-W76 PolarHBondContact O-NE1 3.35Å; N73-W76 PolarHBondContact O-N 3.04Å; W76-K110 HydrophobicContact CB-CD 4.47Å; W76-K110 HydrophobicContact CB-CG 4.08Å; W76-Y111 HydrophobicContact CB-CE1 4.17Å; W76-Y111 AromaticContact CD1-CE1 3.89Å; W76-Y111 HydrophobicContact CD2-CD1 4.47Å; W76-Y111 HydrophobicContact CD2-CE1 4.38Å; W76-Y111 HydrophobicContact CG-CD1 4.36Å; W76-Y111 AromaticContact CG-CE1 3.88Å; W76-Y111 HydrophobicContact CG-CE1 3.88Å; W76-L114 HydrophobicContact CE3-CD2 4.41Å; W76-L114 HydrophobicContact CZ3-CD2 4.29Å; W76-V117 HydrophobicContact CE3-CG1 4.2Å; W76-L150 HydrophobicContact CZ2-CD1 4.24Å; W76-L150 HydrophobicContact CZ2-CD2 4.43Å; W76-L150 HydrophobicContact CZ2-CG 4.41Å
77E94Very high86.2Confident12 Ų1250.2 Ų50.26%0.05630%0.298CS..THydrogen-bonded Turntrans-125.918.3-178.1-63.3-173.1179.300113.4N73 S79 L80 L81 K92 K110N73-E77 PolarHBondContact ND2-OE1 3.39Å; N73-E77 PolarHBondContact ND2-OE2 2.92Å; N73-E77 WeakPolarHBondContact O-CB 3.5Å; N73-E77 PolarHBondContact O-N 2.8Å; E77-S79 VanDerWaalsContact C-N 3.33Å; E77-S79 PolarHBondContact O-N 2.93Å; E77-L80 HydrophobicContact CB-CB 4.39Å; E77-L80 HydrophobicContact CB-CD1 4.16Å; E77-L80 HydrophobicContact CG-CD1 4.15Å; E77-L80 WeakPolarHBondContact O-CA 3.43Å; E77-L80 WeakPolarHBondContact O-CB 3.43Å; E77-L80 PolarHBondContact O-N 3.47Å; E77-L81 PolarHBondContact O-N 2.72Å; E77-K92 WeakPolarHBondContact OE1-CE 3.49Å; E77-K92 IonicContact OE1-NZ 3.65Å; E77-K92 PolarHBondContact OE1-NZ 3.25Å; E77-K92 IonicContact OE2-NZ 2.67Å; E77-K92 PolarHBondContact OE2-NZ 3.24Å; E77-K110 HydrophobicContact CG-CD 4.22Å; E77-K110 WeakPolarHBondContact OE1-CE 3.43Å; E77-K110 IonicContact OE1-NZ 2.75Å; E77-K110 PolarHBondContact OE1-NZ 2.98Å
78H92.3Very high84.7Confident61 Ų6153.6 Ų53.628%0.28232%0.321SS..Hα-helixtrans-50.9-47.2-173.3-170.1-70.2000113.5S74 L80 L81 D82 F116 H118S74-H78 WeakPolarHBondContact O-CA 3.43Å; S74-H78 WeakPolarHBondContact O-CB 3.48Å; S74-H78 PolarHBondContact O-N 2.95Å; S74-H78 VanDerWaalsContact O-N 3.15Å; H78-L80 PolarHBondContact O-N 3.45Å; H78-L81 PolarHBondContact O-N 2.8Å; H78-L81 VanDerWaalsContact O-N 3.16Å; H78-D82 PolarHBondContact O-N 2.87Å; H78-F116 WeakPolarHBondContact CB-O 3.39Å; H78-F116 PolarHBondContact N-O 2.74Å; H78-H118 HydrophobicContact CB-CB 4.31Å; H78-H118 AromaticContact CE1-ND1 3.82Å
79S90.4Very high83.4Confident24 Ų2456.7 Ų56.717%0.16836%0.356CS..Hα-helixtrans-76.32.8179.296.70000114.4E77 S85 F116E77-S79 VanDerWaalsContact C-N 3.33Å; E77-S79 PolarHBondContact O-N 2.93Å; S79-S85 WeakPolarHBondContact O-CB 3.3Å; S79-S85 PolarHBondContact O-OG 3.39Å; S79-F116 PolarHBondContact N-O 2.8Å; S79-F116 WeakPolarHBondContact OG-CA 3.21Å
80L88.5Confident82.5Confident34 Ų3458.3 Ų58.318%0.17835%0.354CS..Hα-helixtrans-104-14.3170.7-53.4175.6000111.3E77 H78 K90 F106 F116E77-L80 HydrophobicContact CB-CB 4.39Å; E77-L80 HydrophobicContact CB-CD1 4.16Å; E77-L80 HydrophobicContact CG-CD1 4.15Å; E77-L80 WeakPolarHBondContact O-CA 3.43Å; E77-L80 WeakPolarHBondContact O-CB 3.43Å; E77-L80 PolarHBondContact O-N 3.47Å; H78-L80 PolarHBondContact O-N 3.45Å; L80-K90 HydrophobicContact CD2-CB 3.93Å; L80-K90 WeakPolarHBondContact CD2-O 3.48Å; L80-F106 HydrophobicContact CD1-CE2 3.73Å; L80-F106 HydrophobicContact CD1-CZ 3.97Å; L80-F116 HydrophobicContact CD1-CB 4.4Å; L80-F116 HydrophobicContact CD1-CD1 4.17Å; L80-F116 HydrophobicContact CD1-CD2 4Å; L80-F116 HydrophobicContact CD1-CE1 4.48Å; L80-F116 HydrophobicContact CD1-CE2 4.32Å; L80-F116 HydrophobicContact CD1-CG 3.94Å; L80-F116 HydrophobicContact CD2-CD1 3.73Å; L80-F116 HydrophobicContact CD2-CE1 3.98Å; L80-F116 HydrophobicContact CD2-CG 4.28Å; L80-F116 HydrophobicContact CG-CB 4.17Å; L80-F116 HydrophobicContact CG-CD1 3.96Å; L80-F116 HydrophobicContact CG-CG 3.98Å
81L86.3Confident82.2Confident109 Ų10960.5 Ų60.557%0.57136%0.355SS*.Hα-helixtrans-98-21.8177.9-62.1174.2000112.8E77 H78 P83E77-L81 PolarHBondContact O-N 2.72Å; H78-L81 PolarHBondContact O-N 2.8Å; H78-L81 VanDerWaalsContact O-N 3.16Å; L81-P83 WeakPolarHBondContact O-CD 3.46Å
82D81.5Confident82.3Confident71 Ų7162 Ų6238%0.3836%0.355SS..SBendtrans-73.2118.4172.5-179.1-7.5000110.8H78 A84 S85H78-D82 PolarHBondContact O-N 2.87Å; D82-A84 PolarHBondContact O-N 2.81Å; D82-A84 VanDerWaalsContact O-N 3.16Å; D82-A84 WeakPolarHBondContact OD1-CB 3.5Å; D82-A84 PolarHBondContact OD1-N 3.23Å; D82-S85 PolarHBondContact O-N 3.3Å; D82-S85 PolarHBondContact O-OG 2.85Å
83P77.4Confident82.2Confident109 Ų10962.3 Ų62.371%0.70836%0.358SS*.THydrogen-bonded Turntrans-57.6-26.4178.4-25.335.7000114.7L81L81-P83 WeakPolarHBondContact O-CD 3.46Å
84A76.9Confident82.1Confident78 Ų7865.1 Ų65.165%0.64537%0.373SS*.THydrogen-bonded Turntrans-70.5-30.7-178.500000112.8D82D82-A84 PolarHBondContact O-N 2.81Å; D82-A84 VanDerWaalsContact O-N 3.16Å; D82-A84 WeakPolarHBondContact OD1-CB 3.5Å; D82-A84 PolarHBondContact OD1-N 3.23Å
85S69.4Low82.1Confident30 Ų3065.4 Ų65.421%0.2137%0.374CS..THydrogen-bonded Turntrans-94.3-8.7-177.349.30000114.6S79 D82 M87 S88S79-S85 WeakPolarHBondContact O-CB 3.3Å; S79-S85 PolarHBondContact O-OG 3.39Å; D82-S85 PolarHBondContact O-N 3.3Å; D82-S85 PolarHBondContact O-OG 2.85Å; S85-M87 PolarHBondContact O-N 2.91Å; S85-M87 VanDerWaalsContact O-N 3.1Å; S85-S88 WeakPolarHBondContact O-CB 3.43Å; S85-S88 PolarHBondContact O-N 3.46Å
86V64.3Low82Confident95 Ų9572.8 Ų72.858%0.57641%0.409SS*.G310 helixtrans-55.6-28.8175.6177.90000112.2S88V86-S88 PolarHBondContact O-N 2.81Å
87M58.8Low81.8Confident179 Ų17974 Ų7488%0.88242%0.415SS*.G310 helixtrans-66.8-14.1177.9-63.4-179.568.200114.3S85 G89S85-M87 PolarHBondContact O-N 2.91Å; S85-M87 VanDerWaalsContact O-N 3.1Å; M87-G89 VanDerWaalsContact C-N 3.25Å; M87-G89 PolarHBondContact O-N 2.9Å
88S63Low81.7Confident72 Ų7280.8 Ų80.850%0.50345%0.445SS..G310 helixtrans-82.712.7-171.7100.80000115S85 V86 K90S85-S88 WeakPolarHBondContact O-CB 3.43Å; S85-S88 PolarHBondContact O-N 3.46Å; V86-S88 PolarHBondContact O-N 2.81Å; S88-K90 PolarHBondContact O-N 3.29Å; S88-K90 WeakPolarHBondContact OG-CD 3.4Å; S88-K90 WeakPolarHBondContact OG-CG 3.29Å
89G67.5Low81.6Confident72 Ų7279.3 Ų79.374%0.74244%0.439SS*.SBendtrans68.7-5.4-177.800000115.7M87 R91M87-G89 VanDerWaalsContact C-N 3.25Å; M87-G89 PolarHBondContact O-N 2.9Å; G89-R91 PolarHBondContact O-N 3.38Å
90K74.5Confident81.5Confident97 Ų9781.1 Ų81.142%0.42244%0.444SS..  trans-69.296.8175.6-74.5177.6173.3-1690109.7L80 S88 A115 F116L80-K90 HydrophobicContact CD2-CB 3.93Å; L80-K90 WeakPolarHBondContact CD2-O 3.48Å; S88-K90 PolarHBondContact O-N 3.29Å; S88-K90 WeakPolarHBondContact OG-CD 3.4Å; S88-K90 WeakPolarHBondContact OG-CG 3.29Å; K90-A115 PolarHBondContact NZ-O 2.76Å; K90-F116 HydrophobicContact CB-CE1 4.27Å; K90-F116 HydrophobicContact CD-CD1 4.09Å; K90-F116 HydrophobicContact CD-CE1 3.9Å; K90-F116 HydrophobicContact CG-CE1 4.2Å
91R82.9Confident81.6Confident153 Ų15382.5 Ų82.558%0.57746%0.455SS*.PPolyproline II helixtrans-100.4150.717477.2177.4-149.8-178.16.3112.1G89 N94 D97G89-R91 PolarHBondContact O-N 3.38Å; R91-N94 PolarHBondContact NH2-ND2 2.89Å; R91-D97 IonicContact CZ-OD1 4Å; R91-D97 IonicContact CZ-OD2 3.73Å; R91-D97 IonicContact NE-OD2 3.92Å; R91-D97 IonicContact NH2-OD1 2.74Å; R91-D97 PolarHBondContact NH2-OD1 2.67Å; R91-D97 IonicContact NH2-OD2 2.8Å; R91-D97 PolarHBondContact NH2-OD2 3.09Å
92K90.3Very high82Confident50 Ų5080.4 Ų80.422%0.21745%0.445CS..PPolyproline II helixtrans-69.2152165.1-173.1164.9-174.9165.80110.5A12 D13 E77 F106A12-K92 VanDerWaalsContact O-CE 3.23Å; A12-K92 WeakPolarHBondContact O-CE 3.39Å; A12-K92 PolarHBondContact O-NZ 2.96Å; D13-K92 WeakPolarHBondContact O-CE 3.21Å; D13-K92 WeakPolarHBondContact O-CG 3.47Å; E77-K92 WeakPolarHBondContact OE1-CE 3.49Å; E77-K92 IonicContact OE1-NZ 3.65Å; E77-K92 PolarHBondContact OE1-NZ 3.25Å; E77-K92 IonicContact OE2-NZ 2.67Å; E77-K92 PolarHBondContact OE2-NZ 3.24Å; K92-F106 HydrophobicContact CB-CE2 4.26Å; K92-F106 HydrophobicContact CB-CZ 4.22Å; K92-F106 HydrophobicContact CD-CZ 4.41Å; K92-F106 HydrophobicContact CG-CE1 4.05Å; K92-F106 HydrophobicContact CG-CE2 4.24Å; K92-F106 HydrophobicContact CG-CZ 3.74Å
93A91.3Very high82.6Confident7 Ų777.1 Ų77.16%0.05843%0.427CS..PPolyproline II helixtrans-68.4146.2172.600000111C14 K103 F106C14-A93 WeakPolarHBondContact CA-O 3.39Å; C14-A93 HydrophobicContact CB-CB 4.29Å; A93-K103 HydrophobicContact CB-CG 3.91Å; A93-F106 HydrophobicContact CB-CB 4.16Å; A93-F106 HydrophobicContact CB-CD1 4.2Å; A93-F106 HydrophobicContact CB-CG 4.2Å
94N91.7Very high83.4Confident67 Ų6772.1 Ų72.136%0.35839%0.394SS..PPolyproline II helixtrans-98.8162.9178.8-59.6-84.9000111.1C14 R91 Q96 D97 K103C14-N94 CarbonylContact O-C 3.41Å; R91-N94 PolarHBondContact NH2-ND2 2.89Å; N94-Q96 PolarHBondContact O-N 3.15Å; N94-D97 HydrophobicContact CB-CB 4.49Å; N94-D97 PolarHBondContact N-OD2 3.38Å; N94-D97 PolarHBondContact ND2-OD2 3.07Å; N94-D97 PolarHBondContact O-N 3.39Å; N94-D97 VanDerWaalsContact O-N 3.12Å; N94-K103 VanDerWaalsContact O-CE 3.25Å; N94-K103 WeakPolarHBondContact O-CE 3.19Å
95P92.7Very high84.2Confident42 Ų4273.9 Ų73.927%0.27339%0.389SS..THydrogen-bonded Turntrans-56.7-36.4176.7-25.433.8000113C14 V16 K103C14-P95 WeakPolarHBondContact O-CD 3.41Å; C14-P95 VanDerWaalsContact O-CG 3.32Å; C14-P95 WeakPolarHBondContact O-CG 3.38Å; C14-P95 VanDerWaalsContact O-N 3.12Å; V16-P95 HydrophobicContact CG2-CB 3.72Å; V16-P95 HydrophobicContact CG2-CG 4.44Å; P95-K103 PolarHBondContact O-NZ 3.45Å
96Q92.1Very high85.5Confident163 Ų16373.1 Ų73.176%0.76238%0.382SS*.THydrogen-bonded Turntrans-89.5-4.6-178.6-59.177.89.900114.2N94N94-Q96 PolarHBondContact O-N 3.15Å
97D92.6Very high87Confident28 Ų2868.6 Ų68.615%0.1536%0.355CS..SBendtrans-67.4145175.5-78.3-24.9000110.2R91 N94 N102 K103R91-D97 IonicContact CZ-OD1 4Å; R91-D97 IonicContact CZ-OD2 3.73Å; R91-D97 IonicContact NE-OD2 3.92Å; R91-D97 IonicContact NH2-OD1 2.74Å; R91-D97 PolarHBondContact NH2-OD1 2.67Å; R91-D97 IonicContact NH2-OD2 2.8Å; R91-D97 PolarHBondContact NH2-OD2 3.09Å; N94-D97 HydrophobicContact CB-CB 4.49Å; N94-D97 PolarHBondContact N-OD2 3.38Å; N94-D97 PolarHBondContact ND2-OD2 3.07Å; N94-D97 PolarHBondContact O-N 3.39Å; N94-D97 VanDerWaalsContact O-N 3.12Å; D97-N102 HydrophobicContact CB-CB 4.04Å; D97-K103 HydrophobicContact CB-CG 4.48Å; D97-K103 WeakPolarHBondContact O-CD 3.34Å; D97-K103 WeakPolarHBondContact O-CE 3.45Å; D97-K103 PolarHBondContact O-NZ 3.42Å
98K91.3Very high88.8Confident155 Ų15564.6 Ų64.667%0.67433%0.33SS*.  trans-64.3146.6-179.7-66.4-175.6177.9-177.70111.3H100 K103K98-H100 VanDerWaalsContact C-N 3.31Å; K98-H100 VanDerWaalsContact CB-O 3.32Å; K98-H100 WeakPolarHBondContact CB-O 3.43Å; K98-H100 PolarHBondContact O-N 2.9Å; K98-K103 PolarHBondContact O-N 3.21Å
99L90.4Very high90.3Very high30 Ų3062 Ų6216%0.15731%0.313CS..Iπ-helixtrans-53.5-49.9173.6177.857.1000111.2E33 V37 K103 S104 T313E33-L99 HydrophobicContact CB-CD1 4.25Å; E33-L99 VanDerWaalsContact O-CD1 3.26Å; E33-L99 WeakPolarHBondContact O-CD1 3.39Å; V37-L99 HydrophobicContact CG2-CD1 3.63Å; L99-K103 HydrophobicContact CD1-CB 4.48Å; L99-K103 PolarHBondContact O-N 3.31Å; L99-S104 WeakPolarHBondContact O-CB 3.25Å; L99-S104 PolarHBondContact O-N 3.49Å; L99-T313 HydrophobicContact CD2-CG2 4.02Å
100H89Confident91.7Very high63 Ų6358.6 Ų58.629%0.29228%0.278SS..Iπ-helixtrans-118.8137.9172.1-61-63.1000111.1K98 S104 T312K98-H100 VanDerWaalsContact C-N 3.31Å; K98-H100 VanDerWaalsContact CB-O 3.32Å; K98-H100 WeakPolarHBondContact CB-O 3.43Å; K98-H100 PolarHBondContact O-N 2.9Å; H100-S104 WeakPolarHBondContact ND1-CB 3.49Å; H100-S104 PolarHBondContact ND1-OG 3.44Å; H100-T312 PolarHBondContact CD2-OG1 3.24Å; H100-T312 WeakPolarHBondContact NE2-CB 3.22Å; H100-T312 PolarHBondContact NE2-OG1 3.09Å
101P90.8Very high92.7Very high63 Ų6354.1 Ų54.141%0.40926%0.258SS..Iπ-helixcis-74-31-7.829.8-33.4000112.9K103 S104 E105P101-K103 PolarHBondContact O-N 2.69Å; P101-S104 PolarHBondContact O-N 3.3Å; P101-S104 VanDerWaalsContact O-N 3.08Å; P101-S104 PolarHBondContact O-OG 3.29Å; P101-E105 HydrophobicContact CB-CG 4.17Å; P101-E105 PolarHBondContact O-N 3.48Å
102N93.2Very high93.2Very high64 Ų6451.4 Ų51.434%0.34225%0.252SS..Iπ-helixtrans-56.7-58.8-153-51.999.6000115.6D97 S104 E105 F106D97-N102 HydrophobicContact CB-CB 4.04Å; N102-S104 VanDerWaalsContact C-N 3.3Å; N102-S104 PolarHBondContact O-N 3.39Å; N102-E105 PolarHBondContact O-N 3.28Å; N102-F106 PolarHBondContact O-N 3.49Å; N102-F106 VanDerWaalsContact O-N 3.14Å
103K94.6Very high93.2Very high3 Ų355.1 Ų55.11%0.01327%0.272CS..Iπ-helixtrans-62.8-39.7179.1-73.6166.4171.9150.30110.8C14 E33 A93 N94 P95 D97 K98 L99 P101 F106 I107C14-K103 HydrophobicContact CB-CD 4.37Å; C14-K103 HydrophobicContact CB-CG 4.31Å; E33-K103 IonicContact OE1-NZ 3.2Å; E33-K103 VanDerWaalsContact OE2-CD 3.28Å; E33-K103 WeakPolarHBondContact OE2-CD 3.34Å; E33-K103 WeakPolarHBondContact OE2-CE 3.33Å; E33-K103 IonicContact OE2-NZ 2.72Å; E33-K103 PolarHBondContact OE2-NZ 3.49Å; A93-K103 HydrophobicContact CB-CG 3.91Å; N94-K103 VanDerWaalsContact O-CE 3.25Å; N94-K103 WeakPolarHBondContact O-CE 3.19Å; P95-K103 PolarHBondContact O-NZ 3.45Å; D97-K103 HydrophobicContact CB-CG 4.48Å; D97-K103 WeakPolarHBondContact O-CD 3.34Å; D97-K103 WeakPolarHBondContact O-CE 3.45Å; D97-K103 PolarHBondContact O-NZ 3.42Å; K98-K103 PolarHBondContact O-N 3.21Å; L99-K103 HydrophobicContact CD1-CB 4.48Å; L99-K103 PolarHBondContact O-N 3.31Å; P101-K103 PolarHBondContact O-N 2.69Å; K103-F106 PolarHBondContact O-N 2.92Å; K103-I107 WeakPolarHBondContact O-CB 3.29Å; K103-I107 WeakPolarHBondContact O-CD1 3.29Å; K103-I107 VanDerWaalsContact O-CG1 3.27Å; K103-I107 WeakPolarHBondContact O-CG1 3.16Å; K103-I107 PolarHBondContact O-N 3.49Å
104S94Very high93.4Very high3 Ų356 Ų562%0.02128%0.275CS..Hα-helixtrans-69-35.8-178.479.60000114.4L99 H100 P101 N102 R108L99-S104 WeakPolarHBondContact O-CB 3.25Å; L99-S104 PolarHBondContact O-N 3.49Å; H100-S104 WeakPolarHBondContact ND1-CB 3.49Å; H100-S104 PolarHBondContact ND1-OG 3.44Å; P101-S104 PolarHBondContact O-N 3.3Å; P101-S104 VanDerWaalsContact O-N 3.08Å; P101-S104 PolarHBondContact O-OG 3.29Å; N102-S104 VanDerWaalsContact C-N 3.3Å; N102-S104 PolarHBondContact O-N 3.39Å; S104-R108 VanDerWaalsContact C-NH1 3.3Å; S104-R108 VanDerWaalsContact CB-NH1 3.34Å; S104-R108 WeakPolarHBondContact O-CG 3.24Å; S104-R108 PolarHBondContact O-N 3.25Å; S104-R108 VanDerWaalsContact O-N 3.12Å; S104-R108 PolarHBondContact O-NH1 3.22Å; S104-R108 VanDerWaalsContact O-NH1 3.13Å; S104-R108 PolarHBondContact OG-NH1 3.08Å
105E94.4Very high93.4Very high115 Ų11554.4 Ų54.454%0.53727%0.271SS..Hα-helixtrans-69.5-44173.9-74.3176.2167.400111P101 N102 I107 R108 A109P101-E105 HydrophobicContact CB-CG 4.17Å; P101-E105 PolarHBondContact O-N 3.48Å; N102-E105 PolarHBondContact O-N 3.28Å; E105-I107 VanDerWaalsContact C-N 3.34Å; E105-I107 PolarHBondContact O-N 3.25Å; E105-R108 PolarHBondContact O-N 2.84Å; E105-A109 VanDerWaalsContact O-CB 3.28Å; E105-A109 WeakPolarHBondContact O-CB 3.47Å; E105-A109 PolarHBondContact O-N 3.12Å
106F95.8Very high93.4Very high14 Ų1453 Ų536%0.06126%0.261CS..Hα-helixtrans-58.1-45.2175.7179.1-100.6000112.1D13 L80 K92 A93 N102 K103 A109 K110 F116D13-F106 HydrophobicContact CB-CD1 4.35Å; D13-F106 HydrophobicContact CB-CE1 4.21Å; D13-F106 VanDerWaalsContact O-CE1 3.3Å; D13-F106 WeakPolarHBondContact O-CE1 3.17Å; L80-F106 HydrophobicContact CD1-CE2 3.73Å; L80-F106 HydrophobicContact CD1-CZ 3.97Å; K92-F106 HydrophobicContact CB-CE2 4.26Å; K92-F106 HydrophobicContact CB-CZ 4.22Å; K92-F106 HydrophobicContact CD-CZ 4.41Å; K92-F106 HydrophobicContact CG-CE1 4.05Å; K92-F106 HydrophobicContact CG-CE2 4.24Å; K92-F106 HydrophobicContact CG-CZ 3.74Å; A93-F106 HydrophobicContact CB-CB 4.16Å; A93-F106 HydrophobicContact CB-CD1 4.2Å; A93-F106 HydrophobicContact CB-CG 4.2Å; N102-F106 PolarHBondContact O-N 3.49Å; N102-F106 VanDerWaalsContact O-N 3.14Å; K103-F106 PolarHBondContact O-N 2.92Å; F106-A109 PolarHBondContact O-N 3Å; F106-K110 HydrophobicContact CE1-CD 3.74Å; F106-K110 HydrophobicContact CZ-CD 3.94Å; F106-K110 WeakPolarHBondContact O-CB 3.21Å; F106-K110 PolarHBondContact O-N 2.93Å; F106-F116 AromaticContact CD2-CE2 3.91Å; F106-F116 HydrophobicContact CD2-CE2 3.91Å; F106-F116 HydrophobicContact CD2-CZ 4.02Å; F106-F116 HydrophobicContact CE2-CD2 4.28Å; F106-F116 AromaticContact CE2-CE2 3.52Å; F106-F116 HydrophobicContact CE2-CE2 3.52Å; F106-F116 AromaticContact CE2-CZ 3.86Å; F106-F116 HydrophobicContact CE2-CZ 3.86Å; F106-F116 HydrophobicContact CZ-CE2 4.19Å
107I96.9Very high93.5Very high0 Ų046.4 Ų46.40%023%0.232CC..Hα-helixtrans-64.4-44.3179-74.2165.1000111.9D13 C34 V37 L41 K103 E105 K110 Y111D13-I107 HydrophobicContact CB-CD1 4.36Å; D13-I107 HydrophobicContact CB-CG1 4.01Å; C34-I107 HydrophobicContact CB-CD1 3.71Å; V37-I107 HydrophobicContact CB-CB 4.46Å; V37-I107 HydrophobicContact CB-CD1 3.91Å; V37-I107 HydrophobicContact CB-CG2 4.02Å; V37-I107 HydrophobicContact CG1-CB 4Å; V37-I107 HydrophobicContact CG1-CD1 4.36Å; V37-I107 HydrophobicContact CG1-CG2 3.58Å; V37-I107 HydrophobicContact CG2-CD1 4.01Å; L41-I107 HydrophobicContact CD1-CG2 4Å; K103-I107 WeakPolarHBondContact O-CB 3.29Å; K103-I107 WeakPolarHBondContact O-CD1 3.29Å; K103-I107 VanDerWaalsContact O-CG1 3.27Å; K103-I107 WeakPolarHBondContact O-CG1 3.16Å; K103-I107 PolarHBondContact O-N 3.49Å; E105-I107 VanDerWaalsContact C-N 3.34Å; E105-I107 PolarHBondContact O-N 3.25Å; I107-K110 PolarHBondContact O-N 3.44Å; I107-Y111 HydrophobicContact CG2-CD2 4.19Å; I107-Y111 WeakPolarHBondContact O-CD2 3.26Å; I107-Y111 PolarHBondContact O-N 3.41Å
108R95.6Very high93.3Very high95 Ų9550.2 Ų50.236%0.35825%0.249SC..Iπ-helixtrans-62.5-47174-70.9-178.7-161.898.7-6.9111.2L41 S104 E105 K110 Q112 M113L41-R108 HydrophobicContact CD2-CG 3.87Å; S104-R108 VanDerWaalsContact C-NH1 3.3Å; S104-R108 VanDerWaalsContact CB-NH1 3.34Å; S104-R108 WeakPolarHBondContact O-CG 3.24Å; S104-R108 PolarHBondContact O-N 3.25Å; S104-R108 VanDerWaalsContact O-N 3.12Å; S104-R108 PolarHBondContact O-NH1 3.22Å; S104-R108 VanDerWaalsContact O-NH1 3.13Å; S104-R108 PolarHBondContact OG-NH1 3.08Å; E105-R108 PolarHBondContact O-N 2.84Å; R108-K110 VanDerWaalsContact C-N 3.28Å; R108-K110 PolarHBondContact O-N 3.27Å; R108-Q112 WeakPolarHBondContact O-CA 3.24Å; R108-Q112 VanDerWaalsContact O-CB 3.28Å; R108-Q112 WeakPolarHBondContact O-CB 3.32Å; R108-Q112 PolarHBondContact O-N 2.85Å; R108-M113 PolarHBondContact O-N 3.45Å
109A95Very high93.1Very high18 Ų1851 Ų5115%0.14925%0.247CC..Iπ-helixtrans-56.8-43176.300000111.7E105 F106 M113 L114 A115 F116E105-A109 VanDerWaalsContact O-CB 3.28Å; E105-A109 WeakPolarHBondContact O-CB 3.47Å; E105-A109 PolarHBondContact O-N 3.12Å; F106-A109 PolarHBondContact O-N 3Å; A109-M113 CarbonylContact O-C 3.57Å; A109-L114 PolarHBondContact O-N 3.03Å; A109-L114 VanDerWaalsContact O-N 3.11Å; A109-A115 HydrophobicContact CB-CB 4.25Å; A109-A115 WeakPolarHBondContact O-CB 3.33Å; A109-A115 PolarHBondContact O-N 3.37Å; A109-F116 HydrophobicContact CB-CE2 4Å; A109-F116 HydrophobicContact CB-CZ 3.89Å
110K96.2Very high93Very high0 Ų055 Ų550%027%0.267CS..Iπ-helixtrans-69.6-49.8-177.3-175.9172.1173.4-174.40114.2A12 D13 N73 W76 E77 F106 I107 R108 L114 F116A12-K110 PolarHBondContact O-NZ 3.26Å; D13-K110 WeakPolarHBondContact OD1-CD 3.39Å; D13-K110 WeakPolarHBondContact OD1-CE 3.37Å; D13-K110 IonicContact OD1-NZ 2.71Å; D13-K110 PolarHBondContact OD1-NZ 3.37Å; N73-K110 WeakPolarHBondContact OD1-CE 3.3Å; N73-K110 PolarHBondContact OD1-NZ 3.4Å; W76-K110 HydrophobicContact CB-CD 4.47Å; W76-K110 HydrophobicContact CB-CG 4.08Å; E77-K110 HydrophobicContact CG-CD 4.22Å; E77-K110 WeakPolarHBondContact OE1-CE 3.43Å; E77-K110 IonicContact OE1-NZ 2.75Å; E77-K110 PolarHBondContact OE1-NZ 2.98Å; F106-K110 HydrophobicContact CE1-CD 3.74Å; F106-K110 HydrophobicContact CZ-CD 3.94Å; F106-K110 WeakPolarHBondContact O-CB 3.21Å; F106-K110 PolarHBondContact O-N 2.93Å; I107-K110 PolarHBondContact O-N 3.44Å; R108-K110 VanDerWaalsContact C-N 3.28Å; R108-K110 PolarHBondContact O-N 3.27Å; K110-L114 WeakPolarHBondContact O-CA 3.21Å; K110-F116 HydrophobicContact CB-CD2 4Å; K110-F116 HydrophobicContact CB-CE2 3.94Å; K110-F116 HydrophobicContact CG-CD2 4.3Å
111Y96.1Very high92.8Very high3 Ų354.5 Ų54.51%0.01227%0.269CS..Iπ-helixtrans-107.9-28.7-170.1-58.3-71.9000115D13 R26 H38 W76 I107 L114D13-Y111 WeakPolarHBondContact OD1-CE2 3.46Å; D13-Y111 VanDerWaalsContact OD1-CZ 3.31Å; D13-Y111 PolarHBondContact OD1-OH 3.16Å; R26-Y111 HydrophobicContact CB-CD1 4.5Å; R26-Y111 HydrophobicContact CB-CE1 4.11Å; R26-Y111 HydrophobicContact CG-CD1 3.87Å; R26-Y111 HydrophobicContact CG-CE1 3.98Å; R26-Y111 PolarHBondContact NH2-O 3.28Å; H38-Y111 AromaticContact CE1-CD2 3.55Å; H38-Y111 AromaticContact CE1-CE2 3.26Å; H38-Y111 WeakPolarHBondContact CE1-CE2 3.45Å; H38-Y111 AromaticContact CE1-CZ 3.79Å; H38-Y111 AromaticContact NE2-CD2 3.53Å; H38-Y111 AromaticContact NE2-CE2 3.18Å; H38-Y111 WeakPolarHBondContact NE2-CE2 3.21Å; W76-Y111 HydrophobicContact CB-CE1 4.17Å; W76-Y111 AromaticContact CD1-CE1 3.89Å; W76-Y111 HydrophobicContact CD2-CD1 4.47Å; W76-Y111 HydrophobicContact CD2-CE1 4.38Å; W76-Y111 HydrophobicContact CG-CD1 4.36Å; W76-Y111 AromaticContact CG-CE1 3.88Å; W76-Y111 HydrophobicContact CG-CE1 3.88Å; I107-Y111 HydrophobicContact CG2-CD2 4.19Å; I107-Y111 WeakPolarHBondContact O-CD2 3.26Å; I107-Y111 PolarHBondContact O-N 3.41Å; Y111-L114 WeakPolarHBondContact O-CD2 3.41Å
112Q92.8Very high92.4Very high97 Ų9752.9 Ų52.945%0.45326%0.259SS..Iπ-helixtrans-93.9-41.2-178.8-169-178.815.500111.6R108R108-Q112 WeakPolarHBondContact O-CA 3.24Å; R108-Q112 VanDerWaalsContact O-CB 3.28Å; R108-Q112 WeakPolarHBondContact O-CB 3.32Å; R108-Q112 PolarHBondContact O-N 2.85Å
113M91.9Very high91.6Very high127 Ų12758.9 Ų58.963%0.62628%0.277SS*.SBendtrans-94.1-12.2176.3-53.5174.467.600113.4R108 A109 A115R108-M113 PolarHBondContact O-N 3.45Å; A109-M113 CarbonylContact O-C 3.57Å; M113-A115 HydrophobicContact CB-CB 4.33Å; M113-A115 PolarHBondContact O-N 3.06Å; M113-A115 VanDerWaalsContact O-N 3.13Å
114L93.8Very high90.2Very high26 Ų2666.3 Ų66.314%0.13632%0.316CS..  trans52.728.4-175.4-53.8177000113.9W76 A109 K110 Y111 F116 V117 M120 P121W76-L114 HydrophobicContact CE3-CD2 4.41Å; W76-L114 HydrophobicContact CZ3-CD2 4.29Å; A109-L114 PolarHBondContact O-N 3.03Å; A109-L114 VanDerWaalsContact O-N 3.11Å; K110-L114 WeakPolarHBondContact O-CA 3.21Å; Y111-L114 WeakPolarHBondContact O-CD2 3.41Å; L114-F116 PolarHBondContact O-N 2.79Å; L114-V117 HydrophobicContact CB-CG1 3.99Å; L114-V117 HydrophobicContact CB-CG2 4.09Å; L114-V117 HydrophobicContact CD2-CG1 4.36Å; L114-V117 WeakPolarHBondContact O-CG2 3.31Å; L114-V117 PolarHBondContact O-N 2.97Å; L114-V117 VanDerWaalsContact O-N 3.11Å; L114-M120 HydrophobicContact CB-CE 4.04Å; L114-M120 HydrophobicContact CB-SD 3.95Å; L114-M120 HydrophobicContact CD1-CE 4.29Å; L114-P121 HydrophobicContact CD1-CG 3.73Å
115A92.6Very high88.8Confident33 Ų3373 Ų7327%0.27335%0.352SS..THydrogen-bonded Turntrans-66.73-165.300000116.5K90 A109 M113K90-A115 PolarHBondContact NZ-O 2.76Å; A109-A115 HydrophobicContact CB-CB 4.25Å; A109-A115 WeakPolarHBondContact O-CB 3.33Å; A109-A115 PolarHBondContact O-N 3.37Å; M113-A115 HydrophobicContact CB-CB 4.33Å; M113-A115 PolarHBondContact O-N 3.06Å; M113-A115 VanDerWaalsContact O-N 3.13Å
116F93.2Very high88.1Confident13 Ų1370 Ų706%0.05734%0.34CS..THydrogen-bonded Turntrans-132.12.8-179.7-39.9-61.7000114.3H78 S79 L80 K90 F106 A109 K110 L114H78-F116 WeakPolarHBondContact CB-O 3.39Å; H78-F116 PolarHBondContact N-O 2.74Å; S79-F116 PolarHBondContact N-O 2.8Å; S79-F116 WeakPolarHBondContact OG-CA 3.21Å; L80-F116 HydrophobicContact CD1-CB 4.4Å; L80-F116 HydrophobicContact CD1-CD1 4.17Å; L80-F116 HydrophobicContact CD1-CD2 4Å; L80-F116 HydrophobicContact CD1-CE1 4.48Å; L80-F116 HydrophobicContact CD1-CE2 4.32Å; L80-F116 HydrophobicContact CD1-CG 3.94Å; L80-F116 HydrophobicContact CD2-CD1 3.73Å; L80-F116 HydrophobicContact CD2-CE1 3.98Å; L80-F116 HydrophobicContact CD2-CG 4.28Å; L80-F116 HydrophobicContact CG-CB 4.17Å; L80-F116 HydrophobicContact CG-CD1 3.96Å; L80-F116 HydrophobicContact CG-CG 3.98Å; K90-F116 HydrophobicContact CB-CE1 4.27Å; K90-F116 HydrophobicContact CD-CD1 4.09Å; K90-F116 HydrophobicContact CD-CE1 3.9Å; K90-F116 HydrophobicContact CG-CE1 4.2Å; F106-F116 AromaticContact CD2-CE2 3.91Å; F106-F116 HydrophobicContact CD2-CE2 3.91Å; F106-F116 HydrophobicContact CD2-CZ 4.02Å; F106-F116 HydrophobicContact CE2-CD2 4.28Å; F106-F116 AromaticContact CE2-CE2 3.52Å; F106-F116 HydrophobicContact CE2-CE2 3.52Å; F106-F116 AromaticContact CE2-CZ 3.86Å; F106-F116 HydrophobicContact CE2-CZ 3.86Å; F106-F116 HydrophobicContact CZ-CE2 4.19Å; A109-F116 HydrophobicContact CB-CE2 4Å; A109-F116 HydrophobicContact CB-CZ 3.89Å; K110-F116 HydrophobicContact CB-CD2 4Å; K110-F116 HydrophobicContact CB-CE2 3.94Å; K110-F116 HydrophobicContact CG-CD2 4.3Å; L114-F116 PolarHBondContact O-N 2.79Å
117V93.3Very high87.3Confident24 Ų2471.9 Ų71.915%0.14535%0.354CS..SBendtrans-72.3159.7177-550000111.4W76 L114 R119 M120W76-V117 HydrophobicContact CE3-CG1 4.2Å; L114-V117 HydrophobicContact CB-CG1 3.99Å; L114-V117 HydrophobicContact CB-CG2 4.09Å; L114-V117 HydrophobicContact CD2-CG1 4.36Å; L114-V117 WeakPolarHBondContact O-CG2 3.31Å; L114-V117 PolarHBondContact O-N 2.97Å; L114-V117 VanDerWaalsContact O-N 3.11Å; V117-R119 WeakPolarHBondContact CG2-O 3.47Å; V117-M120 HydrophobicContact CG2-SD 4.19Å
118H88.4Confident86.7Confident109 Ų10975.5 Ų75.551%0.50538%0.38SS..SBendtrans-65.4-38.7178.1177.151.4000113H78H78-H118 HydrophobicContact CB-CB 4.31Å; H78-H118 AromaticContact CE1-ND1 3.82Å
119R87.6Confident86.5Confident171 Ų17173.9 Ų73.965%0.64538%0.381SS*.SBendtrans-146.6141.9176.2-60.9177.5-164.4-169.30.7108.4V117 L155V117-R119 WeakPolarHBondContact CG2-O 3.47Å; R119-L155 HydrophobicContact CB-CD2 3.86Å
120M88.9Confident86.3Confident114 Ų11473.6 Ų73.656%0.56238%0.378SS*.PPolyproline II helixtrans-62.7157.8170.8-63.7-59.8-7100110.6L114 V117L114-M120 HydrophobicContact CB-CE 4.04Å; L114-M120 HydrophobicContact CB-SD 3.95Å; L114-M120 HydrophobicContact CD1-CE 4.29Å; V117-M120 HydrophobicContact CG2-SD 4.19Å
121P84.5Confident86.1Confident52 Ų5278.4 Ų78.434%0.33840%0.399SS..PPolyproline II helixtrans-54.6152.1167.1-19.930.3000111.6L114 L155L114-P121 HydrophobicContact CD1-CG 3.73Å; P121-L155 WeakPolarHBondContact CA-O 3.45Å
122C82.6Confident86Confident29 Ų2982 Ų8220%0.19642%0.418CS..PPolyproline II helixtrans-60.6144.1167.356.90000110.5D126 T129 L155C122-D126 HydrophobicContact CB-CB 4.47Å; C122-T129 HydrophobicContact CB-CG2 4.06Å; C122-L155 PolarHBondContact N-O 2.94Å; C122-L155 PolarHBondContact SG-O 2.95Å
123R75Confident86.2Confident191 Ų19178.2 Ų78.272%0.72140%0.401SS*.PPolyproline II helixtrans-68.9154168.9-74.4-178.6165-167.4-5.1110.1D125 D126R123-D125 PolarHBondContact O-N 3.37Å; R123-D126 PolarHBondContact O-N 3.01Å
124D65.4Low86.4Confident159 Ų15972.1 Ų72.185%0.8537%0.371SS*.THydrogen-bonded Turntrans-59.1-30.9179.3-48.5-82.2000112.8D126D124-D126 VanDerWaalsContact C-N 3.29Å; D124-D126 PolarHBondContact O-N 3.32Å
125D65.3Low86.6Confident143 Ų14374.7 Ų74.777%0.76538%0.381SS*.THydrogen-bonded Turntrans-63.4-29.8173.2-53.3-54.9000113R123 S127R123-D125 PolarHBondContact O-N 3.37Å; D125-S127 PolarHBondContact O-N 3.48Å
126D78.2Confident86.8Confident52 Ų5277.6 Ų77.628%0.27839%0.389SS..  trans-85.563.2178.9-171.10.4000111.4C122 R123 D124 S128 T129 A130C122-D126 HydrophobicContact CB-CB 4.47Å; R123-D126 PolarHBondContact O-N 3.01Å; D124-D126 VanDerWaalsContact C-N 3.29Å; D124-D126 PolarHBondContact O-N 3.32Å; D126-S128 PolarHBondContact O-N 3.07Å; D126-S128 VanDerWaalsContact O-N 3.13Å; D126-S128 WeakPolarHBondContact OD1-CB 3.4Å; D126-S128 PolarHBondContact OD1-N 3.34Å; D126-S128 PolarHBondContact OD1-OG 2.83Å; D126-T129 VanDerWaalsContact CG-CB 3.48Å; D126-T129 VanDerWaalsContact CG-OG1 3.23Å; D126-T129 PolarHBondContact O-N 2.82Å; D126-T129 PolarHBondContact OD1-N 3.45Å; D126-T129 PolarHBondContact OD1-OG1 3.38Å; D126-T129 WeakPolarHBondContact OD2-CB 3.43Å; D126-T129 PolarHBondContact OD2-OG1 2.92Å; D126-A130 PolarHBondContact O-N 2.89Å; D126-A130 VanDerWaalsContact O-N 3.14Å
127S79.1Confident87.1Confident53 Ų5377 Ų7737%0.37139%0.387SS..Hα-helixtrans-57.4-23.9174.6-162.10000112.7D125 K131D125-S127 PolarHBondContact O-N 3.48Å; S127-K131 WeakPolarHBondContact O-CB 3.19Å; S127-K131 VanDerWaalsContact O-CD 3.22Å; S127-K131 WeakPolarHBondContact O-CD 3.44Å; S127-K131 WeakPolarHBondContact O-CG 3.21Å; S127-K131 PolarHBondContact O-N 3.38Å; S127-K131 WeakPolarHBondContact OG-CE 3.14Å; S127-K131 PolarHBondContact OG-NZ 3.21Å
128S85.9Confident87.3Confident77 Ų7776.5 Ų76.554%0.53838%0.383SS..Hα-helixtrans-65.6-60.9174.519.50000112D126 A130 K131 D132D126-S128 PolarHBondContact O-N 3.07Å; D126-S128 VanDerWaalsContact O-N 3.13Å; D126-S128 WeakPolarHBondContact OD1-CB 3.4Å; D126-S128 PolarHBondContact OD1-N 3.34Å; D126-S128 PolarHBondContact OD1-OG 2.83Å; S128-A130 VanDerWaalsContact C-N 3.3Å; S128-A130 PolarHBondContact O-N 3.32Å; S128-K131 PolarHBondContact O-N 3.06Å; S128-D132 PolarHBondContact O-N 3.46Å; S128-D132 VanDerWaalsContact O-N 3.1Å
129T90.1Very high87.7Confident61 Ų6174.5 Ų74.537%0.37438%0.381SS..Hα-helixtrans-62.2-40.2-179.1-61.10000111C122 D126 K131 D132 L133C122-T129 HydrophobicContact CB-CG2 4.06Å; D126-T129 VanDerWaalsContact CG-CB 3.48Å; D126-T129 VanDerWaalsContact CG-OG1 3.23Å; D126-T129 PolarHBondContact O-N 2.82Å; D126-T129 PolarHBondContact OD1-N 3.45Å; D126-T129 PolarHBondContact OD1-OG1 3.38Å; D126-T129 WeakPolarHBondContact OD2-CB 3.43Å; D126-T129 PolarHBondContact OD2-OG1 2.92Å; T129-K131 PolarHBondContact O-N 3.19Å; T129-D132 PolarHBondContact O-N 3.44Å; T129-L133 HydrophobicContact CG2-CD1 3.81Å; T129-L133 HydrophobicContact CG2-CG 4.16Å; T129-L133 WeakPolarHBondContact O-CB 3.3Å; T129-L133 VanDerWaalsContact O-CG 3.3Å; T129-L133 WeakPolarHBondContact O-CG 3.35Å; T129-L133 PolarHBondContact O-N 3.19Å
130A90.8Very high88.2Confident11 Ų1167.7 Ų67.79%0.09136%0.359CS..Hα-helixtrans-57.6-44.7175.600000112.3D126 S128 S134D126-A130 PolarHBondContact O-N 2.89Å; D126-A130 VanDerWaalsContact O-N 3.14Å; S128-A130 VanDerWaalsContact C-N 3.3Å; S128-A130 PolarHBondContact O-N 3.32Å; A130-S134 VanDerWaalsContact O-CB 3.31Å; A130-S134 WeakPolarHBondContact O-CB 3.39Å; A130-S134 PolarHBondContact O-N 2.86Å; A130-S134 PolarHBondContact O-OG 3.44Å
131K92.9Very high88.6Confident101 Ų10162.2 Ų62.244%0.43933%0.332SS..Hα-helixtrans-64.8-43.1177.1-77.2165.6-177.5142.20112.2S127 S128 T129 S134 K135 F161S127-K131 WeakPolarHBondContact O-CB 3.19Å; S127-K131 VanDerWaalsContact O-CD 3.22Å; S127-K131 WeakPolarHBondContact O-CD 3.44Å; S127-K131 WeakPolarHBondContact O-CG 3.21Å; S127-K131 PolarHBondContact O-N 3.38Å; S127-K131 WeakPolarHBondContact OG-CE 3.14Å; S127-K131 PolarHBondContact OG-NZ 3.21Å; S128-K131 PolarHBondContact O-N 3.06Å; T129-K131 PolarHBondContact O-N 3.19Å; K131-S134 PolarHBondContact O-N 3.39Å; K131-K135 WeakPolarHBondContact O-CG 3.49Å; K131-K135 PolarHBondContact O-N 3.1Å; K131-F161 HydrophobicContact CG-CE2 4.32Å
132D94.6Very high89.1Confident79 Ų7967.8 Ų67.842%0.42235%0.347SS..Hα-helixtrans-75.3-31.9-177.6-73.6-18.5000113.3S128 T129 S134 K135 Q136S128-D132 PolarHBondContact O-N 3.46Å; S128-D132 VanDerWaalsContact O-N 3.1Å; T129-D132 PolarHBondContact O-N 3.44Å; D132-S134 VanDerWaalsContact C-N 3.3Å; D132-K135 WeakPolarHBondContact OD1-CD 3.24Å; D132-K135 WeakPolarHBondContact OD1-CE 3.45Å; D132-K135 IonicContact OD1-NZ 2.72Å; D132-K135 PolarHBondContact OD1-NZ 3.42Å; D132-Q136 WeakPolarHBondContact O-CG 3.43Å; D132-Q136 PolarHBondContact O-N 3.37Å; D132-Q136 PolarHBondContact O-NE2 3.32Å
133L96.3Very high89.7Confident17 Ų1769.6 Ų69.69%0.08936%0.357CS..Hα-helixtrans-63.5-37.1165.7-72.1171.8000111.6T129 Q136 L137 L152 L155 A157T129-L133 HydrophobicContact CG2-CD1 3.81Å; T129-L133 HydrophobicContact CG2-CG 4.16Å; T129-L133 WeakPolarHBondContact O-CB 3.3Å; T129-L133 VanDerWaalsContact O-CG 3.3Å; T129-L133 WeakPolarHBondContact O-CG 3.35Å; T129-L133 PolarHBondContact O-N 3.19Å; L133-Q136 WeakPolarHBondContact O-CB 3.11Å; L133-Q136 PolarHBondContact O-N 2.8Å; L133-L137 PolarHBondContact O-N 3.29Å; L133-L152 HydrophobicContact CD2-CD2 3.82Å; L133-L155 HydrophobicContact CD1-CB 3.75Å; L133-L155 VanDerWaalsContact CD1-O 3.29Å; L133-L155 WeakPolarHBondContact CD1-O 3.3Å; L133-L155 HydrophobicContact CD2-CB 4.19Å; L133-L155 HydrophobicContact CD2-CD1 4.2Å; L133-A157 HydrophobicContact CB-CB 4.02Å
134S96.9Very high90.5Very high0 Ų063 Ų630%035%0.349CS..Hα-helixtrans-73-34.3179.7-560000113.4A130 K131 D132 Q136 L137 H138 Q158A130-S134 VanDerWaalsContact O-CB 3.31Å; A130-S134 WeakPolarHBondContact O-CB 3.39Å; A130-S134 PolarHBondContact O-N 2.86Å; A130-S134 PolarHBondContact O-OG 3.44Å; K131-S134 PolarHBondContact O-N 3.39Å; D132-S134 VanDerWaalsContact C-N 3.3Å; S134-Q136 VanDerWaalsContact C-N 3.34Å; S134-L137 PolarHBondContact O-N 2.93Å; S134-H138 WeakPolarHBondContact O-CB 3.35Å; S134-H138 PolarHBondContact O-N 2.93Å; S134-Q158 PolarHBondContact OG-N 3.44Å
135K96.9Very high91.9Very high79 Ų7959 Ų5934%0.34333%0.327SS..Hα-helixtrans-62.5-39.2167.6-67.1168.9-166.2164.50112K131 D132 S139 F161K131-K135 WeakPolarHBondContact O-CG 3.49Å; K131-K135 PolarHBondContact O-N 3.1Å; D132-K135 WeakPolarHBondContact OD1-CD 3.24Å; D132-K135 WeakPolarHBondContact OD1-CE 3.45Å; D132-K135 IonicContact OD1-NZ 2.72Å; D132-K135 PolarHBondContact OD1-NZ 3.42Å; K135-S139 PolarHBondContact O-N 3.11Å; K135-S139 PolarHBondContact O-OG 3.02Å; K135-F161 HydrophobicContact CG-CE1 3.95Å; K135-F161 HydrophobicContact CG-CZ 4.03Å
136Q97.4Very high93.3Very high95 Ų9552.5 Ų52.544%0.44429%0.293SS..Hα-helixtrans-65.4-39.9173.8-73.2166.975.900111.5D132 L133 S134 S139 S140 L152D132-Q136 WeakPolarHBondContact O-CG 3.43Å; D132-Q136 PolarHBondContact O-N 3.37Å; D132-Q136 PolarHBondContact O-NE2 3.32Å; L133-Q136 WeakPolarHBondContact O-CB 3.11Å; L133-Q136 PolarHBondContact O-N 2.8Å; S134-Q136 VanDerWaalsContact C-N 3.34Å; Q136-S139 PolarHBondContact O-N 2.91Å; Q136-S139 PolarHBondContact O-OG 3.16Å; Q136-S140 VanDerWaalsContact O-CB 3.25Å; Q136-S140 WeakPolarHBondContact O-CB 3.42Å; Q136-S140 PolarHBondContact O-N 3.22Å; Q136-S140 PolarHBondContact O-OG 3.42Å; Q136-L152 HydrophobicContact CB-CD1 3.98Å; Q136-L152 HydrophobicContact CB-CD2 3.86Å
137L98.3Very high94.1Very high0 Ų052.2 Ų52.20%029%0.289CS..Hα-helixtrans-63.3-51.2175.7-179.865.8000111L133 S134 S139 S140 V141 C149 L152 L153 A157 P170 L186L133-L137 PolarHBondContact O-N 3.29Å; S134-L137 PolarHBondContact O-N 2.93Å; L137-S139 PolarHBondContact O-N 3.25Å; L137-S140 PolarHBondContact O-N 2.79Å; L137-V141 HydrophobicContact CD1-CG1 3.84Å; L137-V141 HydrophobicContact CG-CG1 4.3Å; L137-V141 WeakPolarHBondContact O-CG1 3.49Å; L137-V141 WeakPolarHBondContact O-CG2 3.48Å; L137-V141 PolarHBondContact O-N 2.82Å; L137-V141 VanDerWaalsContact O-N 3.11Å; L137-C149 HydrophobicContact CD1-CB 3.9Å; L137-L152 HydrophobicContact CB-CB 4.47Å; L137-L152 HydrophobicContact CB-CD1 4.37Å; L137-L152 HydrophobicContact CD1-CB 4.41Å; L137-L153 HydrophobicContact CD1-CG 4.22Å; L137-L153 HydrophobicContact CD2-CD2 3.65Å; L137-L153 HydrophobicContact CD2-CG 4.15Å; L137-A157 HydrophobicContact CB-CB 3.97Å; L137-A157 HydrophobicContact CD2-CB 3.9Å; L137-A157 HydrophobicContact CG-CB 4.49Å; L137-P170 HydrophobicContact CD2-CG 4.37Å; L137-P170 HydrophobicContact CG-CG 4.4Å; L137-L186 HydrophobicContact CD1-CD2 4.38Å; L137-L186 HydrophobicContact CD2-CD2 3.99Å; L137-L186 HydrophobicContact CG-CD2 4.32Å
138H98.1Very high94.9Very high14 Ų1452.1 Ų52.17%0.06529%0.287CS..Hα-helixtrans-51.5-39.8177.7-177.5-81.2000113.3S134 V141 H163 N168 P170S134-H138 WeakPolarHBondContact O-CB 3.35Å; S134-H138 PolarHBondContact O-N 2.93Å; H138-V141 WeakPolarHBondContact O-CG2 3.29Å; H138-H163 AromaticContact CE1-CD2 3.72Å; H138-H163 AromaticContact CG-CD2 3.81Å; H138-H163 AromaticContact ND1-CD2 3.55Å; H138-N168 PolarHBondContact CD2-O 3.25Å; H138-N168 PolarHBondContact CE1-OD1 3.43Å; H138-N168 PolarHBondContact NE2-O 3Å; H138-N168 VanDerWaalsContact NE2-O 3.16Å; H138-N168 PolarHBondContact NE2-OD1 3.24Å; H138-P170 HydrophobicContact CB-CG 4.14Å
139S96.9Very high95.5Very high67 Ų6748.5 Ų48.547%0.46926%0.261SS..Hα-helixtrans-83.3-28.5178.149.20000114.3K135 Q136 L137K135-S139 PolarHBondContact O-N 3.11Å; K135-S139 PolarHBondContact O-OG 3.02Å; Q136-S139 PolarHBondContact O-N 2.91Å; Q136-S139 PolarHBondContact O-OG 3.16Å; L137-S139 PolarHBondContact O-N 3.25Å
140S97.6Very high95.9Very high27 Ų2745.6 Ų45.619%0.18924%0.244CC..Hα-helixtrans-74.9-38.6-179-62.20000113.6Q136 L137 R142 T143Q136-S140 VanDerWaalsContact O-CB 3.25Å; Q136-S140 WeakPolarHBondContact O-CB 3.42Å; Q136-S140 PolarHBondContact O-N 3.22Å; Q136-S140 PolarHBondContact O-OG 3.42Å; L137-S140 PolarHBondContact O-N 2.79Å; S140-R142 PolarHBondContact O-N 3Å; S140-T143 PolarHBondContact O-N 3.38Å; S140-T143 PolarHBondContact O-OG1 3.37Å
141V97.8Very high96.1Very high0 Ų049.4 Ų49.40%026%0.256CS..THydrogen-bonded Turntrans-66-6.9-175.6-64.30000114.6L137 H138 T143 C149 P170 V173 A174 Q179 Q182 L186L137-V141 HydrophobicContact CD1-CG1 3.84Å; L137-V141 HydrophobicContact CG-CG1 4.3Å; L137-V141 WeakPolarHBondContact O-CG1 3.49Å; L137-V141 WeakPolarHBondContact O-CG2 3.48Å; L137-V141 PolarHBondContact O-N 2.82Å; L137-V141 VanDerWaalsContact O-N 3.11Å; H138-V141 WeakPolarHBondContact O-CG2 3.29Å; V141-T143 PolarHBondContact O-N 2.96Å; V141-C149 HydrophobicContact CG1-CB 4.36Å; V141-C149 VanDerWaalsContact CG1-SG 3.54Å; V141-P170 HydrophobicContact CG2-CB 4Å; V141-P170 WeakPolarHBondContact CG2-O 3.4Å; V141-V173 HydrophobicContact CG2-CB 4.08Å; V141-V173 HydrophobicContact CG2-CG1 4.21Å; V141-A174 HydrophobicContact CB-CB 4.36Å; V141-A174 HydrophobicContact CG2-CB 4.47Å; V141-Q179 WeakPolarHBondContact O-CG 3.45Å; V141-Q182 HydrophobicContact CB-CB 4.31Å; V141-Q182 HydrophobicContact CB-CG 4.47Å; V141-L186 HydrophobicContact CB-CD1 4.37Å; V141-L186 HydrophobicContact CG1-CD1 4.03Å; V141-L186 HydrophobicContact CG1-CD2 4.25Å; V141-L186 HydrophobicContact CG1-CG 4.3Å
142R96.3Very high96.3Very high168 Ų16845.2 Ų45.263%0.63424%0.238SC*.THydrogen-bonded Turntrans-68-11.2166.8-170.9171.959.5108.11.6113S140 V173 A177S140-R142 PolarHBondContact O-N 3Å; R142-V173 HydrophobicContact CB-CG1 3.87Å; R142-V173 HydrophobicContact CG-CG1 4.47Å; R142-A177 HydrophobicContact CG-CB 4.25Å
143T94.6Very high96.4Very high67 Ų6742 Ų4241%0.41122%0.22SC..SBendtrans-122.5157.1-178.171.10000111.3S140 V141 N145 Q182S140-T143 PolarHBondContact O-N 3.38Å; S140-T143 PolarHBondContact O-OG1 3.37Å; V141-T143 PolarHBondContact O-N 2.96Å; T143-N145 PolarHBondContact O-N 3.3Å; T143-Q182 WeakPolarHBondContact O-CG 3.35Å; T143-Q182 PolarHBondContact O-NE2 3.05Å
144G91.9Very high96.3Very high54 Ų5442 Ų4256%0.55722%0.222SC*.SBendtrans-72.58.6-178.600000116.2L146 Q179G144-L146 PolarHBondContact O-N 3.07Å; G144-Q179 VanDerWaalsContact CA-OE1 3.31Å; G144-Q179 VanDerWaalsContact N-OE1 3.13Å
145N93.9Very high96.2Very high73 Ų7343.7 Ų43.739%0.3923%0.231SC..  trans-80.586.2-179.1-168.3-18.7000111.8T143 E147 T148 C149 Q182T143-N145 PolarHBondContact O-N 3.3Å; N145-E147 VanDerWaalsContact C-N 3.27Å; N145-E147 PolarHBondContact O-N 3.41Å; N145-E147 PolarHBondContact OD1-N 2.95Å; N145-E147 VanDerWaalsContact OD1-N 3.15Å; N145-T148 VanDerWaalsContact CG-OG1 3.29Å; N145-T148 PolarHBondContact ND2-OG1 3.34Å; N145-T148 PolarHBondContact OD1-N 3.48Å; N145-T148 VanDerWaalsContact OD1-N 3.08Å; N145-T148 PolarHBondContact OD1-OG1 2.93Å; N145-C149 PolarHBondContact O-N 3.32Å; N145-Q182 VanDerWaalsContact C-NE2 3.28Å; N145-Q182 PolarHBondContact O-NE2 3.05Å; N145-Q182 VanDerWaalsContact O-NE2 3.09Å
146L95.8Very high96Very high8 Ų841 Ų414%0.04223%0.226CC..Hα-helixtrans-63.4-31.2176.6-58.7175.1000112.8M63 T66 L67 G144 C149 L150 S181 Q182 L185M63-L146 HydrophobicContact CG-CD1 4.37Å; T66-L146 HydrophobicContact CG2-CD1 3.66Å; L67-L146 HydrophobicContact CD2-CB 3.5Å; L67-L146 VanDerWaalsContact CD2-CB 3.5Å; L67-L146 HydrophobicContact CG-CB 3.98Å; L67-L146 HydrophobicContact CG-CD1 4.21Å; G144-L146 PolarHBondContact O-N 3.07Å; L146-C149 PolarHBondContact O-N 2.83Å; L146-L150 WeakPolarHBondContact O-CB 3.4Å; L146-L150 PolarHBondContact O-N 3.28Å; L146-S181 VanDerWaalsContact CD2-C 3.47Å; L146-S181 WeakPolarHBondContact CD2-O 3.4Å; L146-Q182 HydrophobicContact CD2-CG 3.99Å; L146-L185 HydrophobicContact CB-CD2 4.42Å; L146-L185 HydrophobicContact CD2-CD2 4.27Å
147E95.1Very high95.9Very high45 Ų4536.9 Ų36.921%0.2121%0.208CC..Hα-helixtrans-68.7-41.5-176.2-160.4-120.2118.700111.1I75 N145 R151I75-E147 HydrophobicContact CD1-CG 4.44Å; N145-E147 VanDerWaalsContact C-N 3.27Å; N145-E147 PolarHBondContact O-N 3.41Å; N145-E147 PolarHBondContact OD1-N 2.95Å; N145-E147 VanDerWaalsContact OD1-N 3.15Å; E147-R151 WeakPolarHBondContact O-CB 3.46Å; E147-R151 PolarHBondContact O-N 3.33Å; E147-R151 IonicContact OE1-CZ 2.77Å; E147-R151 IonicContact OE1-NE 2.8Å; E147-R151 PolarHBondContact OE1-NE 2.81Å; E147-R151 IonicContact OE1-NH2 3.55Å; E147-R151 PolarHBondContact OE1-NH2 3.47Å
148T95.6Very high95.8Very high51 Ų5142.1 Ų42.131%0.31323%0.233SC..Hα-helixtrans-61.6-43.6171.5-60.70000112N145 R151 L152N145-T148 VanDerWaalsContact CG-OG1 3.29Å; N145-T148 PolarHBondContact ND2-OG1 3.34Å; N145-T148 PolarHBondContact OD1-N 3.48Å; N145-T148 VanDerWaalsContact OD1-N 3.08Å; N145-T148 PolarHBondContact OD1-OG1 2.93Å; T148-R151 PolarHBondContact O-N 3.24Å; T148-L152 HydrophobicContact CG2-CD1 4.09Å; T148-L152 WeakPolarHBondContact O-CG 3.32Å; T148-L152 PolarHBondContact O-N 3.12Å
149C97.8Very high95.8Very high1 Ų141.8 Ų41.81%0.00723%0.232CC..Hα-helixtrans-68.3-43.9-179.8-67.10000112.2L137 V141 N145 L146 R151 L152 L153 Q182 L185L137-C149 HydrophobicContact CD1-CB 3.9Å; V141-C149 HydrophobicContact CG1-CB 4.36Å; V141-C149 VanDerWaalsContact CG1-SG 3.54Å; N145-C149 PolarHBondContact O-N 3.32Å; L146-C149 PolarHBondContact O-N 2.83Å; C149-R151 VanDerWaalsContact C-N 3.3Å; C149-R151 PolarHBondContact O-N 3.17Å; C149-L152 PolarHBondContact O-N 3.45Å; C149-L153 WeakPolarHBondContact O-CB 3.38Å; C149-L153 WeakPolarHBondContact O-CD1 3.44Å; C149-L153 VanDerWaalsContact O-CG 3.28Å; C149-L153 WeakPolarHBondContact O-CG 3.22Å; C149-L153 PolarHBondContact O-N 2.88Å; C149-Q182 VanDerWaalsContact CB-OE1 3.3Å; C149-Q182 PolarHBondContact SG-NE2 2.76Å; C149-Q182 PolarHBondContact SG-OE1 3.35Å; C149-Q182 VanDerWaalsContact SG-OE1 3.34Å; C149-L185 HydrophobicContact CB-CD2 3.97Å
150L97.7Very high95.7Very high0 Ų042.1 Ų42.10%023%0.229CC..Hα-helixtrans-60.8-40173-179.465.1000111.5L67 A72 I75 W76 L146 L153 S154 L185 Y189L67-L150 HydrophobicContact CD1-CD2 4.22Å; L67-L150 HydrophobicContact CD2-CB 3.96Å; L67-L150 HydrophobicContact CD2-CD2 3.76Å; L67-L150 HydrophobicContact CD2-CG 4.47Å; A72-L150 HydrophobicContact CB-CD2 3.71Å; I75-L150 HydrophobicContact CD1-CB 4.14Å; I75-L150 HydrophobicContact CD1-CD2 3.84Å; I75-L150 HydrophobicContact CD1-CG 3.86Å; W76-L150 HydrophobicContact CZ2-CD1 4.24Å; W76-L150 HydrophobicContact CZ2-CD2 4.43Å; W76-L150 HydrophobicContact CZ2-CG 4.41Å; L146-L150 WeakPolarHBondContact O-CB 3.4Å; L146-L150 PolarHBondContact O-N 3.28Å; L150-L153 PolarHBondContact O-N 3.17Å; L150-S154 WeakPolarHBondContact O-CB 3.29Å; L150-S154 PolarHBondContact O-N 3.38Å; L150-S154 PolarHBondContact O-OG 3.45Å; L150-L185 HydrophobicContact CB-CD2 4.26Å; L150-L185 HydrophobicContact CD1-CD1 4.14Å; L150-Y189 HydrophobicContact CD1-CE2 3.84Å; L150-Y189 WeakPolarHBondContact CD1-OH 3.29Å
151R96.4Very high95.7Very high92 Ų9241.7 Ų41.735%0.34722%0.223SC..Hα-helixtrans-63.8-43.4176.9-168.7-175.6-68.3-132.53.1111.5I75 E147 T148 C149 S154 L155I75-R151 HydrophobicContact CD1-CB 3.93Å; I75-R151 HydrophobicContact CG1-CB 4.32Å; I75-R151 HydrophobicContact CG1-CG 4.45Å; E147-R151 WeakPolarHBondContact O-CB 3.46Å; E147-R151 PolarHBondContact O-N 3.33Å; E147-R151 IonicContact OE1-CZ 2.77Å; E147-R151 IonicContact OE1-NE 2.8Å; E147-R151 PolarHBondContact OE1-NE 2.81Å; E147-R151 IonicContact OE1-NH2 3.55Å; E147-R151 PolarHBondContact OE1-NH2 3.47Å; T148-R151 PolarHBondContact O-N 3.24Å; C149-R151 VanDerWaalsContact C-N 3.3Å; C149-R151 PolarHBondContact O-N 3.17Å; R151-S154 WeakPolarHBondContact CA-OG 3.46Å; R151-S154 PolarHBondContact O-N 3.36Å; R151-S154 PolarHBondContact O-OG 3.07Å; R151-L155 WeakPolarHBondContact O-CG 3.44Å; R151-L155 PolarHBondContact O-N 3.07Å
152L96.8Very high95.7Very high12 Ų1246.1 Ų46.16%0.06324%0.243CC..Hα-helixtrans-64.1-44.6175.4-72.1166.2000112.1L133 Q136 L137 T148 C149 S154 L155 G156 A157L133-L152 HydrophobicContact CD2-CD2 3.82Å; Q136-L152 HydrophobicContact CB-CD1 3.98Å; Q136-L152 HydrophobicContact CB-CD2 3.86Å; L137-L152 HydrophobicContact CB-CB 4.47Å; L137-L152 HydrophobicContact CB-CD1 4.37Å; L137-L152 HydrophobicContact CD1-CB 4.41Å; T148-L152 HydrophobicContact CG2-CD1 4.09Å; T148-L152 WeakPolarHBondContact O-CG 3.32Å; T148-L152 PolarHBondContact O-N 3.12Å; C149-L152 PolarHBondContact O-N 3.45Å; L152-S154 VanDerWaalsContact C-N 3.31Å; L152-S154 PolarHBondContact O-N 3.21Å; L152-L155 PolarHBondContact O-N 2.76Å; L152-L155 VanDerWaalsContact O-N 3.1Å; L152-G156 PolarHBondContact O-N 2.99Å; L152-A157 HydrophobicContact CB-CB 4.06Å; L152-A157 WeakPolarHBondContact O-CB 3.38Å; L152-A157 PolarHBondContact O-N 3.11Å
153L96.7Very high95.7Very high11 Ų1139.3 Ų39.36%0.05822%0.218CC..Hα-helixtrans-58.9-41.9173.5-70.1163.1000111.3L137 C149 L150 L155 G156 A159 L185 Y189L137-L153 HydrophobicContact CD1-CG 4.22Å; L137-L153 HydrophobicContact CD2-CD2 3.65Å; L137-L153 HydrophobicContact CD2-CG 4.15Å; C149-L153 WeakPolarHBondContact O-CB 3.38Å; C149-L153 WeakPolarHBondContact O-CD1 3.44Å; C149-L153 VanDerWaalsContact O-CG 3.28Å; C149-L153 WeakPolarHBondContact O-CG 3.22Å; C149-L153 PolarHBondContact O-N 2.88Å; L150-L153 PolarHBondContact O-N 3.17Å; L153-L155 PolarHBondContact O-N 3.01Å; L153-G156 PolarHBondContact O-N 2.99Å; L153-G156 VanDerWaalsContact O-N 3.12Å; L153-A159 HydrophobicContact CD2-CB 4.08Å; L153-L185 HydrophobicContact CD1-CD1 4.11Å; L153-L185 HydrophobicContact CD1-CD2 4.32Å; L153-L185 HydrophobicContact CD1-CG 3.93Å; L153-Y189 HydrophobicContact CB-CD1 3.97Å; L153-Y189 HydrophobicContact CB-CE1 3.78Å; L153-Y189 HydrophobicContact CB-CE2 4.48Å; L153-Y189 HydrophobicContact CB-CG 4.39Å; L153-Y189 HydrophobicContact CD1-CD1 4.33Å; L153-Y189 HydrophobicContact CD1-CD2 3.81Å; L153-Y189 HydrophobicContact CD1-CE2 4.15Å; L153-Y189 HydrophobicContact CD1-CG 3.9Å; L153-Y189 HydrophobicContact CD2-CD1 3.97Å; L153-Y189 HydrophobicContact CD2-CG 4.01Å; L153-Y189 HydrophobicContact CG-CD1 4.31Å; L153-Y189 HydrophobicContact CG-CG 4.33Å
154S94.7Very high95.7Very high18 Ų1840.3 Ų40.313%0.12623%0.226CC..Hα-helixtrans-66.2-14.7176.678.10000114.9I75 L150 R151 L152I75-S154 WeakPolarHBondContact CG2-OG 3.37Å; L150-S154 WeakPolarHBondContact O-CB 3.29Å; L150-S154 PolarHBondContact O-N 3.38Å; L150-S154 PolarHBondContact O-OG 3.45Å; R151-S154 WeakPolarHBondContact CA-OG 3.46Å; R151-S154 PolarHBondContact O-N 3.36Å; R151-S154 PolarHBondContact O-OG 3.07Å; L152-S154 VanDerWaalsContact C-N 3.31Å; L152-S154 PolarHBondContact O-N 3.21Å
155L93.8Very high95.8Very high36 Ų3643.3 Ų43.319%0.18823%0.229CC..THydrogen-bonded Turntrans-97.9-3.9176.3-68169.9000113.1R119 P121 C122 L133 R151 L152 L153R119-L155 HydrophobicContact CB-CD2 3.86Å; P121-L155 WeakPolarHBondContact CA-O 3.45Å; C122-L155 PolarHBondContact N-O 2.94Å; C122-L155 PolarHBondContact SG-O 2.95Å; L133-L155 HydrophobicContact CD1-CB 3.75Å; L133-L155 VanDerWaalsContact CD1-O 3.29Å; L133-L155 WeakPolarHBondContact CD1-O 3.3Å; L133-L155 HydrophobicContact CD2-CB 4.19Å; L133-L155 HydrophobicContact CD2-CD1 4.2Å; R151-L155 WeakPolarHBondContact O-CG 3.44Å; R151-L155 PolarHBondContact O-N 3.07Å; L152-L155 PolarHBondContact O-N 2.76Å; L152-L155 VanDerWaalsContact O-N 3.1Å; L153-L155 PolarHBondContact O-N 3.01Å
156G92.9Very high95.9Very high23 Ų2346.4 Ų46.424%0.23724%0.239CC..THydrogen-bonded Turntrans104.715.7-17900000115.5L152 L153L152-G156 PolarHBondContact O-N 2.99Å; L153-G156 PolarHBondContact O-N 2.99Å; L153-G156 VanDerWaalsContact O-N 3.12Å
157A95.9Very high95.9Very high8 Ų846.2 Ų46.27%0.06624%0.239CC..  trans-63.7135.8167.600000110.9L133 L137 L152L133-A157 HydrophobicContact CB-CB 4.02Å; L137-A157 HydrophobicContact CB-CB 3.97Å; L137-A157 HydrophobicContact CD2-CB 3.9Å; L137-A157 HydrophobicContact CG-CB 4.49Å; L152-A157 HydrophobicContact CB-CB 4.06Å; L152-A157 WeakPolarHBondContact O-CB 3.38Å; L152-A157 PolarHBondContact O-N 3.11Å
158Q95.4Very high96.1Very high110 Ų11045.2 Ų45.251%0.51424%0.236SC..  trans-91121.5-177.4-65.2176.3-12.900111S134 N160 F161S134-Q158 PolarHBondContact OG-N 3.44Å; Q158-N160 VanDerWaalsContact C-N 3.28Å; Q158-N160 PolarHBondContact O-N 2.95Å; Q158-F161 HydrophobicContact CB-CB 4.15Å; Q158-F161 VanDerWaalsContact O-CB 3.23Å; Q158-F161 WeakPolarHBondContact O-CB 3.43Å; Q158-F161 PolarHBondContact O-N 3.16Å; Q158-F161 VanDerWaalsContact O-N 3.11Å
159A97.2Very high96.2Very high6 Ų643 Ų435%0.0522%0.222CC..THydrogen-bonded Turntrans-65-31.3-17900000113.1L153 L186 A191L153-A159 HydrophobicContact CD2-CB 4.08Å; A159-L186 HydrophobicContact CB-CD2 4.04Å; A159-A191 HydrophobicContact CB-CB 4Å
160N96.3Very high96.2Very high75 Ų7543 Ų4340%0.40122%0.221SC..THydrogen-bonded Turntrans-89.312.8173.8-88.5-27.9000114.7Q158 F162 G190 A191 D192Q158-N160 VanDerWaalsContact C-N 3.28Å; Q158-N160 PolarHBondContact O-N 2.95Å; N160-F162 PolarHBondContact O-N 3.36Å; N160-F162 VanDerWaalsContact O-N 3.1Å; N160-G190 PolarHBondContact ND2-O 2.92Å; N160-A191 VanDerWaalsContact OD1-CA 3.28Å; N160-A191 WeakPolarHBondContact OD1-CA 3.45Å; N160-D192 PolarHBondContact OD1-N 2.85Å
161F96.9Very high96.3Very high17 Ų1743 Ų438%0.07522%0.221CC..  trans-56.3118-178.5174.5-109.9000112.6K131 K135 Q158 H163 T169 P170K131-F161 HydrophobicContact CG-CE2 4.32Å; K135-F161 HydrophobicContact CG-CE1 3.95Å; K135-F161 HydrophobicContact CG-CZ 4.03Å; Q158-F161 HydrophobicContact CB-CB 4.15Å; Q158-F161 VanDerWaalsContact O-CB 3.23Å; Q158-F161 WeakPolarHBondContact O-CB 3.43Å; Q158-F161 PolarHBondContact O-N 3.16Å; Q158-F161 VanDerWaalsContact O-N 3.11Å; F161-H163 HydrophobicContact CD1-CB 4.3Å; F161-H163 HydrophobicContact CE1-CB 3.82Å; F161-H163 PolarHBondContact O-N 2.94Å; F161-T169 WeakPolarHBondContact O-CA 3.47Å; F161-P170 WeakPolarHBondContact O-CD 3.41Å
162F97.3Very high96.4Very high94 Ų9438.6 Ų38.641%0.41221%0.205SC..  trans-84.8111.7173.1-166.9-87.7000110N160 P164 G167 T169N160-F162 PolarHBondContact O-N 3.36Å; N160-F162 VanDerWaalsContact O-N 3.1Å; F162-P164 WeakPolarHBondContact O-CD 3.28Å; F162-G167 WeakPolarHBondContact CE2-O 3.24Å; F162-G167 WeakPolarHBondContact CZ-O 3.44Å; F162-T169 HydrophobicContact CD2-CG2 4.19Å
163H96.9Very high96.4Very high24 Ų2439.1 Ų39.111%0.11121%0.209CC..BIsolated β-bridgetrans-78.3116.2-176.6-172.3-36.8000110.7H138 F161 D165 K166 G167 N168H138-H163 AromaticContact CE1-CD2 3.72Å; H138-H163 AromaticContact CG-CD2 3.81Å; H138-H163 AromaticContact ND1-CD2 3.55Å; F161-H163 HydrophobicContact CD1-CB 4.3Å; F161-H163 HydrophobicContact CE1-CB 3.82Å; F161-H163 PolarHBondContact O-N 2.94Å; H163-D165 IonicContact CE1-OD2 2.8Å; H163-D165 PolarHBondContact CE1-OD2 3.48Å; H163-D165 PolarHBondContact ND1-N 2.96Å; H163-D165 IonicContact ND1-OD2 2.87Å; H163-D165 PolarHBondContact O-N 2.87Å; H163-K166 HydrophobicContact CB-CB 4.1Å; H163-K166 HydrophobicContact CB-CG 4.48Å; H163-K166 PolarHBondContact O-N 3.04Å; H163-G167 PolarHBondContact O-N 3.29Å; H163-N168 WeakPolarHBondContact CB-O 3.43Å; H163-N168 PolarHBondContact N-O 3.45Å
164P94.3Very high96.5Very high89 Ų8938.6 Ų38.658%0.57821%0.206SC*.THydrogen-bonded Turntrans-60.5-49.2-172.621.5-31.9000112.7F162 K166F162-P164 WeakPolarHBondContact O-CD 3.28Å; P164-K166 PolarHBondContact O-N 3.08Å; P164-K166 VanDerWaalsContact O-N 3.16Å
165D94.4Very high96.7Very high117 Ų11737.8 Ų37.863%0.62620%0.2SC*.THydrogen-bonded Turntrans-78.85.8-176.7-30.8-85.5000115H163H163-D165 IonicContact CE1-OD2 2.8Å; H163-D165 PolarHBondContact CE1-OD2 3.48Å; H163-D165 PolarHBondContact ND1-N 2.96Å; H163-D165 IonicContact ND1-OD2 2.87Å; H163-D165 PolarHBondContact O-N 2.87Å
166K95.3Very high96.9Very high137 Ų13741.1 Ų41.160%0.59621%0.213SC*.THydrogen-bonded Turntrans-130.6-15.9179.2-57.4-64.9162.4-134.30113.4H163 P164 N168H163-K166 HydrophobicContact CB-CB 4.1Å; H163-K166 HydrophobicContact CB-CG 4.48Å; H163-K166 PolarHBondContact O-N 3.04Å; P164-K166 PolarHBondContact O-N 3.08Å; P164-K166 VanDerWaalsContact O-N 3.16Å; K166-N168 VanDerWaalsContact C-N 3.29Å; K166-N168 PolarHBondContact O-N 2.97Å
167G96.9Very high97.1Very high5 Ų541.5 Ų41.55%0.05221%0.214CC..THydrogen-bonded Turntrans68.220.1176.300000114.9F162 H163 D197 S198F162-G167 WeakPolarHBondContact CE2-O 3.24Å; F162-G167 WeakPolarHBondContact CZ-O 3.44Å; H163-G167 PolarHBondContact O-N 3.29Å; G167-D197 CarbonylContact O-C 3.56Å; G167-D197 VanDerWaalsContact O-CA 3.26Å; G167-D197 WeakPolarHBondContact O-CA 3.42Å; G167-D197 VanDerWaalsContact O-CB 3.27Å; G167-D197 WeakPolarHBondContact O-CB 3.49Å; G167-S198 WeakPolarHBondContact CA-OG 3.18Å; G167-S198 PolarHBondContact O-N 3.4Å; G167-S198 PolarHBondContact O-OG 2.87Å
168N97.9Very high97.2Very high24 Ų2442.1 Ų42.113%0.12822%0.221CC..BIsolated β-bridgetrans-152.5167.1-174.768.2-3.5000113.9H138 H163 K166 H172 D197H138-N168 PolarHBondContact CD2-O 3.25Å; H138-N168 PolarHBondContact CE1-OD1 3.43Å; H138-N168 PolarHBondContact NE2-O 3Å; H138-N168 VanDerWaalsContact NE2-O 3.16Å; H138-N168 PolarHBondContact NE2-OD1 3.24Å; H163-N168 WeakPolarHBondContact CB-O 3.43Å; H163-N168 PolarHBondContact N-O 3.45Å; K166-N168 VanDerWaalsContact C-N 3.29Å; K166-N168 PolarHBondContact O-N 2.97Å; N168-H172 HydrophobicContact CB-CB 3.94Å; N168-D197 HydrophobicContact CB-CB 3.86Å
169T98.3Very high97.3Very high4 Ų439.4 Ų39.43%0.02521%0.209CC..  trans-96.3163.5-178.673.50000112.8F161 F162 L171 H172 V173F161-T169 WeakPolarHBondContact O-CA 3.47Å; F162-T169 HydrophobicContact CD2-CG2 4.19Å; T169-L171 PolarHBondContact O-N 2.88Å; T169-L171 VanDerWaalsContact O-N 3.16Å; T169-H172 PolarHBondContact N-ND1 3.46Å; T169-H172 WeakPolarHBondContact O-CB 3.34Å; T169-H172 PolarHBondContact O-N 3.35Å; T169-H172 VanDerWaalsContact O-N 3.1Å; T169-H172 PolarHBondContact OG1-ND1 3.23Å; T169-V173 PolarHBondContact O-N 2.94Å
170P98.6Very high97.4Very high0 Ų041.3 Ų41.30%022%0.22CC..Hα-helixtrans-50.4-36.4172.3-28.833.6000113.9L137 H138 V141 F161 H172 V173 A174 L186L137-P170 HydrophobicContact CD2-CG 4.37Å; L137-P170 HydrophobicContact CG-CG 4.4Å; H138-P170 HydrophobicContact CB-CG 4.14Å; V141-P170 HydrophobicContact CG2-CB 4Å; V141-P170 WeakPolarHBondContact CG2-O 3.4Å; F161-P170 WeakPolarHBondContact O-CD 3.41Å; P170-H172 VanDerWaalsContact C-N 3.34Å; P170-H172 PolarHBondContact O-N 2.84Å; P170-V173 PolarHBondContact O-N 3.13Å; P170-V173 VanDerWaalsContact O-N 3.12Å; P170-A174 PolarHBondContact O-N 3.38Å; P170-L186 HydrophobicContact CB-CD1 3.86Å; P170-L186 HydrophobicContact CB-CD2 3.85Å
171L98.6Very high97.4Very high0 Ų038.9 Ų38.90%021%0.208CC..Hα-helixtrans-66.8-34.8-178.9-168.459.6000112.4T169 V173 A174 A175 A183 L186 T187 A191 P193 P203 L219T169-L171 PolarHBondContact O-N 2.88Å; T169-L171 VanDerWaalsContact O-N 3.16Å; L171-V173 VanDerWaalsContact C-N 3.33Å; L171-V173 PolarHBondContact O-N 3.35Å; L171-A174 PolarHBondContact O-N 3.04Å; L171-A175 WeakPolarHBondContact O-CB 3.39Å; L171-A175 PolarHBondContact O-N 3.2Å; L171-A183 HydrophobicContact CD1-CB 3.78Å; L171-L186 HydrophobicContact CB-CD1 4.32Å; L171-L186 HydrophobicContact CD1-CB 4.24Å; L171-L186 HydrophobicContact CD1-CD1 4.15Å; L171-T187 HydrophobicContact CD1-CG2 4.08Å; L171-T187 HydrophobicContact CD2-CG2 3.92Å; L171-A191 HydrophobicContact CB-CB 4.23Å; L171-A191 HydrophobicContact CD2-CB 4Å; L171-P193 HydrophobicContact CD2-CB 4.42Å; L171-P193 HydrophobicContact CD2-CG 4.28Å; L171-P203 HydrophobicContact CB-CG 4.12Å; L171-P203 HydrophobicContact CD2-CB 4.37Å; L171-P203 HydrophobicContact CD2-CG 4.07Å; L171-P203 HydrophobicContact CG-CB 3.95Å; L171-P203 HydrophobicContact CG-CG 3.92Å; L171-L219 HydrophobicContact CD1-CD2 4.05Å; L171-L219 HydrophobicContact CD2-CD2 4.25Å; L171-L219 HydrophobicContact CG-CD2 4.36Å
172H98.6Very high97.5Very high1 Ų138.1 Ų38.11%0.00521%0.205CC..Hα-helixtrans-61.7-41.1171.1-68.282.5000111.8N168 T169 P170 K176 A195 D197 K201 P203 H206N168-H172 HydrophobicContact CB-CB 3.94Å; T169-H172 PolarHBondContact N-ND1 3.46Å; T169-H172 WeakPolarHBondContact O-CB 3.34Å; T169-H172 PolarHBondContact O-N 3.35Å; T169-H172 VanDerWaalsContact O-N 3.1Å; T169-H172 PolarHBondContact OG1-ND1 3.23Å; P170-H172 VanDerWaalsContact C-N 3.34Å; P170-H172 PolarHBondContact O-N 2.84Å; H172-K176 WeakPolarHBondContact O-CB 3.25Å; H172-K176 PolarHBondContact O-N 3.24Å; H172-A195 PolarHBondContact CE1-O 2.94Å; H172-A195 PolarHBondContact NE2-O 3.2Å; H172-D197 PolarHBondContact NE2-N 2.92Å; H172-K201 PolarHBondContact NE2-O 3.01Å; H172-K201 VanDerWaalsContact NE2-O 3.1Å; H172-P203 WeakPolarHBondContact NE2-CD 3.44Å; H172-H206 AromaticContact CD2-CD2 3.77Å
173V98.3Very high97.6Very high23 Ų2333.7 Ų33.714%0.13919%0.186CC..Hα-helixtrans-68.2-43.4179.3-178.70000110.9V141 R142 T169 P170 L171 A177V141-V173 HydrophobicContact CG2-CB 4.08Å; V141-V173 HydrophobicContact CG2-CG1 4.21Å; R142-V173 HydrophobicContact CB-CG1 3.87Å; R142-V173 HydrophobicContact CG-CG1 4.47Å; T169-V173 PolarHBondContact O-N 2.94Å; P170-V173 PolarHBondContact O-N 3.13Å; P170-V173 VanDerWaalsContact O-N 3.12Å; L171-V173 VanDerWaalsContact C-N 3.33Å; L171-V173 PolarHBondContact O-N 3.35Å; V173-A177 VanDerWaalsContact O-CB 3.24Å; V173-A177 WeakPolarHBondContact O-CB 3.49Å; V173-A177 PolarHBondContact O-N 2.98Å; V173-A177 VanDerWaalsContact O-N 3.12Å
174A98.4Very high97.6Very high0 Ų032.6 Ų32.60%018%0.181CC..Hα-helixtrans-62.8-46.2175.800000111.9V141 P170 L171 A177 G178 Q179 Q182 L186V141-A174 HydrophobicContact CB-CB 4.36Å; V141-A174 HydrophobicContact CG2-CB 4.47Å; P170-A174 PolarHBondContact O-N 3.38Å; L171-A174 PolarHBondContact O-N 3.04Å; A174-A177 CarbonylContact O-C 3.56Å; A174-A177 PolarHBondContact O-N 3.28Å; A174-G178 PolarHBondContact O-N 3.09Å; A174-G178 VanDerWaalsContact O-N 3.13Å; A174-Q179 HydrophobicContact CB-CB 4.41Å; A174-Q179 PolarHBondContact O-N 3.33Å; A174-Q182 HydrophobicContact CB-CB 4.09Å; A174-L186 HydrophobicContact CB-CD1 4.04Å
175A98.4Very high97.8Very high0 Ų028.4 Ų28.40%015%0.153CC..Hα-helixtrans-62.1-48.2178.800000112.4L171 A177 G178 P203 A207 L219L171-A175 WeakPolarHBondContact O-CB 3.39Å; L171-A175 PolarHBondContact O-N 3.2Å; A175-A177 PolarHBondContact O-N 3.01Å; A175-G178 PolarHBondContact O-N 2.94Å; A175-G178 VanDerWaalsContact O-N 3.16Å; A175-P203 HydrophobicContact CB-CB 3.94Å; A175-P203 VanDerWaalsContact CB-O 3.24Å; A175-P203 WeakPolarHBondContact CB-O 3.45Å; A175-A207 HydrophobicContact CB-CB 4.25Å; A175-L219 HydrophobicContact CB-CD1 3.97Å
176K97.8Very high98Very high106 Ų10622.9 Ų22.946%0.46112%0.124SC..Hα-helixtrans-64.4-23.2176.9-167172.5-166.3131.80113.8H172 H206 V210H172-K176 WeakPolarHBondContact O-CB 3.25Å; H172-K176 PolarHBondContact O-N 3.24Å; K176-H206 HydrophobicContact CB-CB 4.18Å; K176-H206 PolarHBondContact NZ-ND1 2.93Å; K176-V210 HydrophobicContact CG-CG2 3.99Å
177A97.7Very high98.2Very high31 Ų3117.3 Ų17.326%0.25610%0.102SC..THydrogen-bonded Turntrans-100.27.4178.300000113.7R142 V173 A174 A175 Q179R142-A177 HydrophobicContact CG-CB 4.25Å; V173-A177 VanDerWaalsContact O-CB 3.24Å; V173-A177 WeakPolarHBondContact O-CB 3.49Å; V173-A177 PolarHBondContact O-N 2.98Å; V173-A177 VanDerWaalsContact O-N 3.12Å; A174-A177 CarbonylContact O-C 3.56Å; A174-A177 PolarHBondContact O-N 3.28Å; A175-A177 PolarHBondContact O-N 3.01Å; A177-Q179 HydrophobicContact CB-CG 3.9Å; A177-Q179 PolarHBondContact O-N 2.56Å; A177-Q179 PolarHBondContact O-NE2 3.28Å
178G97.7Very high98.2Very high21 Ų2117.8 Ų17.822%0.21610%0.103CC..THydrogen-bonded Turntrans64.319179.400000114.6A174 A175 V180 H212A174-G178 PolarHBondContact O-N 3.09Å; A174-G178 VanDerWaalsContact O-N 3.13Å; A175-G178 PolarHBondContact O-N 2.94Å; A175-G178 VanDerWaalsContact O-N 3.16Å; G178-V180 VanDerWaalsContact C-N 3.3Å; G178-V180 PolarHBondContact O-N 2.72Å; G178-H212 WeakPolarHBondContact CA-CD2 3.33Å; G178-H212 WeakPolarHBondContact CA-NE2 3.41Å; G178-H212 PolarHBondContact N-CD2 3.41Å; G178-H212 PolarHBondContact N-NE2 3.26Å
179Q97.9Very high98.2Very high54 Ų5420 Ų2025%0.25211%0.11SC..  trans-8370.9-171.9-61.4-57.5-59.500111.4V141 G144 A174 A177 S181 Q182 A183V141-Q179 WeakPolarHBondContact O-CG 3.45Å; G144-Q179 VanDerWaalsContact CA-OE1 3.31Å; G144-Q179 VanDerWaalsContact N-OE1 3.13Å; A174-Q179 HydrophobicContact CB-CB 4.41Å; A174-Q179 PolarHBondContact O-N 3.33Å; A177-Q179 HydrophobicContact CB-CG 3.9Å; A177-Q179 PolarHBondContact O-N 2.56Å; A177-Q179 PolarHBondContact O-NE2 3.28Å; Q179-S181 PolarHBondContact O-N 2.9Å; Q179-Q182 HydrophobicContact CB-CB 3.8Å; Q179-Q182 HydrophobicContact CB-CG 3.84Å; Q179-Q182 WeakPolarHBondContact O-CA 3.28Å; Q179-Q182 WeakPolarHBondContact O-CB 3.4Å; Q179-Q182 PolarHBondContact O-N 3.44Å; Q179-A183 PolarHBondContact O-N 2.93Å
180V98Very high98.1Very high46 Ų4622 Ų2228%0.27913%0.133SC..Hα-helixtrans-48.5-50.6-174.5-176.40000113T59 G178 Q182 A183 E184 L215T59-V180 HydrophobicContact CG2-CG1 3.51Å; G178-V180 VanDerWaalsContact C-N 3.3Å; G178-V180 PolarHBondContact O-N 2.72Å; V180-Q182 VanDerWaalsContact C-N 3.31Å; V180-Q182 PolarHBondContact O-N 3.48Å; V180-A183 WeakPolarHBondContact O-CB 3.16Å; V180-A183 PolarHBondContact O-N 3.22Å; V180-E184 PolarHBondContact O-N 3.36Å; V180-L215 HydrophobicContact CB-CD1 4.34Å; V180-L215 HydrophobicContact CG1-CD1 4.27Å; V180-L215 HydrophobicContact CG2-CB 4.28Å; V180-L215 HydrophobicContact CG2-CD1 4.19Å; V180-L215 HydrophobicContact CG2-CD2 4.25Å; V180-L215 HydrophobicContact CG2-CG 4.48Å
181S98.1Very high98.1Very high24 Ų2422.3 Ų22.317%0.16814%0.135CC..Hα-helixtrans-70.5-24.4-179.4-51.80000113.6M63 L146 Q179 L185M63-S181 VanDerWaalsContact CG-O 3.26Å; M63-S181 WeakPolarHBondContact CG-O 3.35Å; L146-S181 VanDerWaalsContact CD2-C 3.47Å; L146-S181 WeakPolarHBondContact CD2-O 3.4Å; Q179-S181 PolarHBondContact O-N 2.9Å; S181-L185 WeakPolarHBondContact O-CB 3.33Å; S181-L185 PolarHBondContact O-N 2.91Å; S181-L185 VanDerWaalsContact O-N 3.14Å
182Q98.4Very high98Very high1 Ų125.6 Ų25.61%0.00515%0.152CC..Hα-helixtrans-73.5-38.5171.7-67.1-73.514.300110.6V141 T143 N145 L146 C149 A174 Q179 V180 L185 L186V141-Q182 HydrophobicContact CB-CB 4.31Å; V141-Q182 HydrophobicContact CB-CG 4.47Å; T143-Q182 WeakPolarHBondContact O-CG 3.35Å; T143-Q182 PolarHBondContact O-NE2 3.05Å; N145-Q182 VanDerWaalsContact C-NE2 3.28Å; N145-Q182 PolarHBondContact O-NE2 3.05Å; N145-Q182 VanDerWaalsContact O-NE2 3.09Å; L146-Q182 HydrophobicContact CD2-CG 3.99Å; C149-Q182 VanDerWaalsContact CB-OE1 3.3Å; C149-Q182 PolarHBondContact SG-NE2 2.76Å; C149-Q182 PolarHBondContact SG-OE1 3.35Å; C149-Q182 VanDerWaalsContact SG-OE1 3.34Å; A174-Q182 HydrophobicContact CB-CB 4.09Å; Q179-Q182 HydrophobicContact CB-CB 3.8Å; Q179-Q182 HydrophobicContact CB-CG 3.84Å; Q179-Q182 WeakPolarHBondContact O-CA 3.28Å; Q179-Q182 WeakPolarHBondContact O-CB 3.4Å; Q179-Q182 PolarHBondContact O-N 3.44Å; V180-Q182 VanDerWaalsContact C-N 3.31Å; V180-Q182 PolarHBondContact O-N 3.48Å; Q182-L185 PolarHBondContact O-N 3.05Å; Q182-L186 WeakPolarHBondContact O-CB 3.45Å; Q182-L186 VanDerWaalsContact O-CG 3.24Å; Q182-L186 WeakPolarHBondContact O-CG 3.33Å; Q182-L186 PolarHBondContact O-N 2.87Å
183A98.4Very high97.9Very high1 Ų125.9 Ų25.91%0.00815%0.154CC..Hα-helixtrans-60.4-50.2173.600000111.2L171 Q179 V180 L185 L186 T187 L215 L219L171-A183 HydrophobicContact CD1-CB 3.78Å; Q179-A183 PolarHBondContact O-N 2.93Å; V180-A183 WeakPolarHBondContact O-CB 3.16Å; V180-A183 PolarHBondContact O-N 3.22Å; A183-L185 VanDerWaalsContact C-N 3.33Å; A183-L185 PolarHBondContact O-N 3.12Å; A183-L186 PolarHBondContact O-N 3.41Å; A183-T187 WeakPolarHBondContact O-CG2 3.45Å; A183-T187 PolarHBondContact O-N 3.16Å; A183-T187 PolarHBondContact O-OG1 2.94Å; A183-T187 VanDerWaalsContact O-OG1 3.05Å; A183-L215 HydrophobicContact CB-CD1 3.95Å; A183-L219 HydrophobicContact CB-CD2 4.32Å
184E98.4Very high97.8Very high1 Ų125.9 Ų25.91%0.00516%0.158CC..Hα-helixtrans-56.2-43.7175.3-71.3-82.9-169.700112.6T59 Q60 M63 V180 T187 V188 R218T59-E184 VanDerWaalsContact CB-OE1 3.28Å; T59-E184 WeakPolarHBondContact CB-OE1 3.27Å; T59-E184 PolarHBondContact OG1-OE1 3.3Å; Q60-E184 WeakPolarHBondContact CB-OE2 3.4Å; Q60-E184 PolarHBondContact N-OE1 3.16Å; Q60-E184 PolarHBondContact NE2-OE2 3.48Å; M63-E184 HydrophobicContact CB-CB 4.06Å; M63-E184 HydrophobicContact CE-CB 4.18Å; M63-E184 HydrophobicContact CG-CB 3.99Å; V180-E184 PolarHBondContact O-N 3.36Å; E184-T187 WeakPolarHBondContact CA-OG1 3.4Å; E184-T187 PolarHBondContact O-N 3.43Å; E184-T187 PolarHBondContact O-OG1 3.46Å; E184-T187 VanDerWaalsContact O-OG1 3.05Å; E184-V188 WeakPolarHBondContact O-CB 3.39Å; E184-V188 VanDerWaalsContact O-CG2 3.23Å; E184-V188 WeakPolarHBondContact O-CG2 3.41Å; E184-V188 PolarHBondContact O-N 3.16Å; E184-R218 IonicContact OE1-CZ 2.7Å; E184-R218 IonicContact OE1-NE 3.73Å; E184-R218 PolarHBondContact OE1-NE 3.45Å; E184-R218 IonicContact OE1-NH2 2.66Å; E184-R218 PolarHBondContact OE1-NH2 3Å; E184-R218 VanDerWaalsContact OE1-NH2 3.09Å; E184-R218 IonicContact OE2-CZ 3.88Å; E184-R218 IonicContact OE2-NH2 2.99Å; E184-R218 PolarHBondContact OE2-NH2 3.11Å
185L98.6Very high97.7Very high0 Ų026.9 Ų26.90%017%0.167CC..Hα-helixtrans-64.6-45.3177.8174.557.5000111.8M63 L67 L146 C149 L150 L153 S181 Q182 A183 T187 V188 Y189M63-L185 HydrophobicContact CG-CB 4.24Å; M63-L185 HydrophobicContact SD-CB 4.23Å; L67-L185 HydrophobicContact CD1-CD1 4.18Å; L146-L185 HydrophobicContact CB-CD2 4.42Å; L146-L185 HydrophobicContact CD2-CD2 4.27Å; C149-L185 HydrophobicContact CB-CD2 3.97Å; L150-L185 HydrophobicContact CB-CD2 4.26Å; L150-L185 HydrophobicContact CD1-CD1 4.14Å; L153-L185 HydrophobicContact CD1-CD1 4.11Å; L153-L185 HydrophobicContact CD1-CD2 4.32Å; L153-L185 HydrophobicContact CD1-CG 3.93Å; S181-L185 WeakPolarHBondContact O-CB 3.33Å; S181-L185 PolarHBondContact O-N 2.91Å; S181-L185 VanDerWaalsContact O-N 3.14Å; Q182-L185 PolarHBondContact O-N 3.05Å; A183-L185 VanDerWaalsContact C-N 3.33Å; A183-L185 PolarHBondContact O-N 3.12Å; L185-T187 PolarHBondContact O-N 3.35Å; L185-V188 PolarHBondContact O-N 2.86Å; L185-Y189 HydrophobicContact CD1-CD2 3.93Å; L185-Y189 HydrophobicContact CD1-CE2 3.92Å; L185-Y189 WeakPolarHBondContact O-CD2 3.38Å; L185-Y189 PolarHBondContact O-N 3.3Å
186L98.6Very high97.6Very high1 Ų131.8 Ų31.81%0.00519%0.192CC..Hα-helixtrans-61.2-43.5176.8-75.1170.6000111.7L137 V141 A159 P170 L171 A174 Q182 A183 Y189 G190 A191L137-L186 HydrophobicContact CD1-CD2 4.38Å; L137-L186 HydrophobicContact CD2-CD2 3.99Å; L137-L186 HydrophobicContact CG-CD2 4.32Å; V141-L186 HydrophobicContact CB-CD1 4.37Å; V141-L186 HydrophobicContact CG1-CD1 4.03Å; V141-L186 HydrophobicContact CG1-CD2 4.25Å; V141-L186 HydrophobicContact CG1-CG 4.3Å; A159-L186 HydrophobicContact CB-CD2 4.04Å; P170-L186 HydrophobicContact CB-CD1 3.86Å; P170-L186 HydrophobicContact CB-CD2 3.85Å; L171-L186 HydrophobicContact CB-CD1 4.32Å; L171-L186 HydrophobicContact CD1-CB 4.24Å; L171-L186 HydrophobicContact CD1-CD1 4.15Å; A174-L186 HydrophobicContact CB-CD1 4.04Å; Q182-L186 WeakPolarHBondContact O-CB 3.45Å; Q182-L186 VanDerWaalsContact O-CG 3.24Å; Q182-L186 WeakPolarHBondContact O-CG 3.33Å; Q182-L186 PolarHBondContact O-N 2.87Å; A183-L186 PolarHBondContact O-N 3.41Å; L186-Y189 CarbonylContact O-C 3.17Å; L186-Y189 VanDerWaalsContact O-C 3.24Å; L186-Y189 WeakPolarHBondContact O-CA 3.43Å; L186-Y189 PolarHBondContact O-N 2.89Å; L186-Y189 VanDerWaalsContact O-N 3.13Å; L186-G190 PolarHBondContact O-N 3.41Å; L186-A191 HydrophobicContact CB-CB 3.77Å; L186-A191 VanDerWaalsContact O-CB 3.25Å; L186-A191 WeakPolarHBondContact O-CB 3.38Å; L186-A191 PolarHBondContact O-N 3.41Å
187T98.1Very high97.6Very high21 Ų2127.1 Ų27.113%0.12917%0.173CC..Hα-helixtrans-73-31.7-178.555.90000112.6L171 A183 E184 L185 Y189 G190 A191 P193 I222L171-T187 HydrophobicContact CD1-CG2 4.08Å; L171-T187 HydrophobicContact CD2-CG2 3.92Å; A183-T187 WeakPolarHBondContact O-CG2 3.45Å; A183-T187 PolarHBondContact O-N 3.16Å; A183-T187 PolarHBondContact O-OG1 2.94Å; A183-T187 VanDerWaalsContact O-OG1 3.05Å; E184-T187 WeakPolarHBondContact CA-OG1 3.4Å; E184-T187 PolarHBondContact O-N 3.43Å; E184-T187 PolarHBondContact O-OG1 3.46Å; E184-T187 VanDerWaalsContact O-OG1 3.05Å; L185-T187 PolarHBondContact O-N 3.35Å; T187-Y189 PolarHBondContact O-N 3.23Å; T187-G190 PolarHBondContact O-N 2.94Å; T187-A191 HydrophobicContact CG2-CB 4.45Å; T187-A191 WeakPolarHBondContact CG2-O 3.43Å; T187-P193 HydrophobicContact CG2-CG 4.35Å; T187-I222 HydrophobicContact CG2-CD1 4.39Å; T187-I222 HydrophobicContact CG2-CG2 3.72Å
188V97.7Very high97.6Very high15 Ų1529.7 Ų29.79%0.09119%0.189CC..Hα-helixtrans-62.3-27.3168.6161.40000112.1V24 N25 Q47 M63 E184 L185V24-V188 HydrophobicContact CG1-CG1 4.11Å; V24-V188 HydrophobicContact CG1-CG2 3.78Å; N25-V188 HydrophobicContact CB-CG1 3.77Å; Q47-V188 PolarHBondContact NE2-O 2.9Å; M63-V188 HydrophobicContact CE-CG2 4Å; E184-V188 WeakPolarHBondContact O-CB 3.39Å; E184-V188 VanDerWaalsContact O-CG2 3.23Å; E184-V188 WeakPolarHBondContact O-CG2 3.41Å; E184-V188 PolarHBondContact O-N 3.16Å; L185-V188 PolarHBondContact O-N 2.86Å
189Y97.7Very high97.5Very high69 Ų6934.4 Ų34.427%0.27121%0.209SC..THydrogen-bonded Turntrans-94.619170.6-84.6-98.5000113.5N25 L150 L153 L185 L186 T187N25-Y189 HydrophobicContact CB-CE2 4.34Å; N25-Y189 WeakPolarHBondContact O-CE2 3.5Å; N25-Y189 PolarHBondContact O-OH 3.46Å; N25-Y189 VanDerWaalsContact O-OH 3.11Å; L150-Y189 HydrophobicContact CD1-CE2 3.84Å; L150-Y189 WeakPolarHBondContact CD1-OH 3.29Å; L153-Y189 HydrophobicContact CB-CD1 3.97Å; L153-Y189 HydrophobicContact CB-CE1 3.78Å; L153-Y189 HydrophobicContact CB-CE2 4.48Å; L153-Y189 HydrophobicContact CB-CG 4.39Å; L153-Y189 HydrophobicContact CD1-CD1 4.33Å; L153-Y189 HydrophobicContact CD1-CD2 3.81Å; L153-Y189 HydrophobicContact CD1-CE2 4.15Å; L153-Y189 HydrophobicContact CD1-CG 3.9Å; L153-Y189 HydrophobicContact CD2-CD1 3.97Å; L153-Y189 HydrophobicContact CD2-CG 4.01Å; L153-Y189 HydrophobicContact CG-CD1 4.31Å; L153-Y189 HydrophobicContact CG-CG 4.33Å; L185-Y189 HydrophobicContact CD1-CD2 3.93Å; L185-Y189 HydrophobicContact CD1-CE2 3.92Å; L185-Y189 WeakPolarHBondContact O-CD2 3.38Å; L185-Y189 PolarHBondContact O-N 3.3Å; L186-Y189 CarbonylContact O-C 3.17Å; L186-Y189 VanDerWaalsContact O-C 3.24Å; L186-Y189 WeakPolarHBondContact O-CA 3.43Å; L186-Y189 PolarHBondContact O-N 2.89Å; L186-Y189 VanDerWaalsContact O-N 3.13Å; T187-Y189 PolarHBondContact O-N 3.23Å
190G95.8Very high97.5Very high48 Ų4834.3 Ų34.350%0.49522%0.222SC..THydrogen-bonded Turntrans8512.8170.200000116.2N160 L186 T187 D192N160-G190 PolarHBondContact ND2-O 2.92Å; L186-G190 PolarHBondContact O-N 3.41Å; T187-G190 PolarHBondContact O-N 2.94Å; G190-D192 PolarHBondContact O-N 2.81Å
191A97.9Very high97.5Very high5 Ų535.1 Ų35.14%0.04122%0.222CC..  trans-62.8132.8172.700000111.9A159 N160 L171 L186 T187 P193A159-A191 HydrophobicContact CB-CB 4Å; N160-A191 VanDerWaalsContact OD1-CA 3.28Å; N160-A191 WeakPolarHBondContact OD1-CA 3.45Å; L171-A191 HydrophobicContact CB-CB 4.23Å; L171-A191 HydrophobicContact CD2-CB 4Å; L186-A191 HydrophobicContact CB-CB 3.77Å; L186-A191 VanDerWaalsContact O-CB 3.25Å; L186-A191 WeakPolarHBondContact O-CB 3.38Å; L186-A191 PolarHBondContact O-N 3.41Å; T187-A191 HydrophobicContact CG2-CB 4.45Å; T187-A191 WeakPolarHBondContact CG2-O 3.43Å; A191-P193 WeakPolarHBondContact O-CD 3.34Å
192D96.9Very high97.5Very high70 Ų7035 Ų3537%0.37422%0.22SC..  trans-90.9118.4-174.8173.225.4000112.3N160 G190 G194 A195N160-D192 PolarHBondContact OD1-N 2.85Å; G190-D192 PolarHBondContact O-N 2.81Å; D192-G194 PolarHBondContact O-N 2.87Å; D192-G194 WeakPolarHBondContact OD1-CA 3.32Å; D192-G194 PolarHBondContact OD1-N 3.23Å; D192-A195 HydrophobicContact CB-CB 4.15Å; D192-A195 PolarHBondContact O-N 3.06Å; D192-A195 PolarHBondContact OD2-N 3.41Å
193P97.5Very high97.5Very high7 Ų735 Ų355%0.04522%0.22CC..THydrogen-bonded Turntrans-69.4-14173.1-17.332.1000114.8L171 T187 A191 P203 I204 L219 I222 Q223L171-P193 HydrophobicContact CD2-CB 4.42Å; L171-P193 HydrophobicContact CD2-CG 4.28Å; T187-P193 HydrophobicContact CG2-CG 4.35Å; A191-P193 WeakPolarHBondContact O-CD 3.34Å; P193-P203 WeakPolarHBondContact O-CD 3.26Å; P193-I204 HydrophobicContact CB-CD1 4.2Å; P193-I204 HydrophobicContact CB-CG1 4.35Å; P193-L219 HydrophobicContact CB-CB 4.43Å; P193-L219 HydrophobicContact CB-CD2 4.31Å; P193-L219 HydrophobicContact CG-CD2 4.41Å; P193-I222 HydrophobicContact CG-CB 4.27Å; P193-I222 HydrophobicContact CG-CG2 3.87Å; P193-Q223 HydrophobicContact CB-CB 4.17Å; P193-Q223 HydrophobicContact CG-CB 4.31Å
194G95.8Very high97.5Very high22 Ų2235.2 Ų35.223%0.22722%0.221CC..THydrogen-bonded Turntrans-90.1-10.5175.900000114.9D192D192-G194 PolarHBondContact O-N 2.87Å; D192-G194 WeakPolarHBondContact OD1-CA 3.32Å; D192-G194 PolarHBondContact OD1-N 3.23Å
195A96.1Very high97.5Very high21 Ų2137.7 Ų37.717%0.17423%0.234CC..  trans-62.5137.2-177.200000111.6H172 D192 P203H172-A195 PolarHBondContact CE1-O 2.94Å; H172-A195 PolarHBondContact NE2-O 3.2Å; D192-A195 HydrophobicContact CB-CB 4.15Å; D192-A195 PolarHBondContact O-N 3.06Å; D192-A195 PolarHBondContact OD2-N 3.41Å; A195-P203 VanDerWaalsContact O-CD 3.31Å; A195-P203 WeakPolarHBondContact O-CD 3.48Å
196L97.5Very high97.4Very high103 Ų10338.1 Ų38.154%0.53924%0.237SC..  trans-93.4142.4-178.4-58.6176.8000112.3K201 T202L196-K201 CarbonylContact C-O 3.42Å; L196-K201 WeakPolarHBondContact CA-O 3.46Å; L196-T202 HydrophobicContact CD2-CG2 3.78Å
197D97.3Very high97.4Very high9 Ų938.1 Ų38.15%0.04824%0.236CC..  trans-81.7174.3165.279.1-1.1000112.6G167 N168 H172 N199 G200 K201 H206G167-D197 CarbonylContact O-C 3.56Å; G167-D197 VanDerWaalsContact O-CA 3.26Å; G167-D197 WeakPolarHBondContact O-CA 3.42Å; G167-D197 VanDerWaalsContact O-CB 3.27Å; G167-D197 WeakPolarHBondContact O-CB 3.49Å; N168-D197 HydrophobicContact CB-CB 3.86Å; H172-D197 PolarHBondContact NE2-N 2.92Å; D197-N199 PolarHBondContact O-N 3.19Å; D197-N199 VanDerWaalsContact OD1-C 3.31Å; D197-N199 VanDerWaalsContact OD1-CA 3.23Å; D197-N199 WeakPolarHBondContact OD1-CA 3.46Å; D197-N199 VanDerWaalsContact OD1-CB 3.24Å; D197-N199 WeakPolarHBondContact OD1-CB 3.27Å; D197-N199 PolarHBondContact OD1-N 3.06Å; D197-N199 PolarHBondContact OD1-ND2 2.92Å; D197-N199 PolarHBondContact OD2-ND2 3.1Å; D197-G200 PolarHBondContact O-N 3.47Å; D197-G200 PolarHBondContact OD1-N 3.24Å; D197-G200 VanDerWaalsContact OD1-N 3.08Å; D197-K201 PolarHBondContact N-O 2.68Å; D197-K201 PolarHBondContact OD1-N 3.21Å; D197-H206 IonicContact OD2-CD2 3.55Å; D197-H206 IonicContact OD2-CE1 3.53Å; D197-H206 PolarHBondContact OD2-CE1 3.06Å; D197-H206 IonicContact OD2-NE2 3.74Å; D197-H206 PolarHBondContact OD2-NE2 2.95Å
198S97.4Very high97.4Very high85 Ų8542 Ų4259%0.59425%0.249SC*.THydrogen-bonded Turntrans-63.5-5.4175.4-65.20000114.7G167G167-S198 WeakPolarHBondContact CA-OG 3.18Å; G167-S198 PolarHBondContact O-N 3.4Å; G167-S198 PolarHBondContact O-OG 2.87Å
199N96.1Very high97.4Very high120 Ų12047 Ų4764%0.64227%0.271SS*.THydrogen-bonded Turntrans-100.60.1172.5-44.3-79.9000111.9D197 K201D197-N199 PolarHBondContact O-N 3.19Å; D197-N199 VanDerWaalsContact OD1-C 3.31Å; D197-N199 VanDerWaalsContact OD1-CA 3.23Å; D197-N199 WeakPolarHBondContact OD1-CA 3.46Å; D197-N199 VanDerWaalsContact OD1-CB 3.24Å; D197-N199 WeakPolarHBondContact OD1-CB 3.27Å; D197-N199 PolarHBondContact OD1-N 3.06Å; D197-N199 PolarHBondContact OD1-ND2 2.92Å; D197-N199 PolarHBondContact OD2-ND2 3.1Å; N199-K201 HydrophobicContact CB-CG 4.32Å
200G96.8Very high97.4Very high51 Ų5147 Ų4753%0.52628%0.278SS..SBendtrans76.421.6-17600000114.5D197D197-G200 PolarHBondContact O-N 3.47Å; D197-G200 PolarHBondContact OD1-N 3.24Å; D197-G200 VanDerWaalsContact OD1-N 3.08Å
201K97.9Very high97.5Very high64 Ų6446.2 Ų46.228%0.27827%0.27SS..  trans-106.2149.9179.9-56.3-166.8-170.3-1620111.8H172 L196 D197 N199 D205 E209H172-K201 PolarHBondContact NE2-O 3.01Å; H172-K201 VanDerWaalsContact NE2-O 3.1Å; L196-K201 CarbonylContact C-O 3.42Å; L196-K201 WeakPolarHBondContact CA-O 3.46Å; D197-K201 PolarHBondContact N-O 2.68Å; D197-K201 PolarHBondContact OD1-N 3.21Å; N199-K201 HydrophobicContact CB-CG 4.32Å; K201-D205 HydrophobicContact CB-CB 4.24Å; K201-E209 IonicContact NZ-OE1 3.49Å; K201-E209 PolarHBondContact NZ-OE1 2.82Å; K201-E209 IonicContact NZ-OE2 3.99Å; K201-E209 PolarHBondContact NZ-OE2 3.26Å
202T98.3Very high97.5Very high21 Ų2149 Ų4913%0.12928%0.282CS..  trans-89.2166.217266.90000112.1L196 I204 D205 H206L196-T202 HydrophobicContact CD2-CG2 3.78Å; T202-I204 PolarHBondContact O-N 2.99Å; T202-I204 WeakPolarHBondContact OG1-CB 3.49Å; T202-I204 PolarHBondContact OG1-N 3.18Å; T202-D205 WeakPolarHBondContact CB-OD2 3.39Å; T202-D205 PolarHBondContact N-OD2 3.48Å; T202-D205 PolarHBondContact O-N 3.2Å; T202-D205 VanDerWaalsContact O-N 3.15Å; T202-D205 PolarHBondContact OG1-N 2.97Å; T202-D205 VanDerWaalsContact OG1-N 3.12Å; T202-D205 PolarHBondContact OG1-OD2 3.15Å; T202-H206 PolarHBondContact O-CD2 3.48Å; T202-H206 PolarHBondContact O-N 3.14Å
203P98.5Very high97.5Very high0 Ų052.8 Ų52.80%029%0.292CS..Hα-helixtrans-54.5-35165.6-25.734.3000113.1L171 H172 A175 P193 A195 D205 H206 A207 L219L171-P203 HydrophobicContact CB-CG 4.12Å; L171-P203 HydrophobicContact CD2-CB 4.37Å; L171-P203 HydrophobicContact CD2-CG 4.07Å; L171-P203 HydrophobicContact CG-CB 3.95Å; L171-P203 HydrophobicContact CG-CG 3.92Å; H172-P203 WeakPolarHBondContact NE2-CD 3.44Å; A175-P203 HydrophobicContact CB-CB 3.94Å; A175-P203 VanDerWaalsContact CB-O 3.24Å; A175-P203 WeakPolarHBondContact CB-O 3.45Å; P193-P203 WeakPolarHBondContact O-CD 3.26Å; A195-P203 VanDerWaalsContact O-CD 3.31Å; A195-P203 WeakPolarHBondContact O-CD 3.48Å; P203-D205 VanDerWaalsContact C-N 3.32Å; P203-D205 PolarHBondContact O-N 2.63Å; P203-H206 PolarHBondContact O-N 3.22Å; P203-A207 PolarHBondContact O-N 3.12Å; P203-L219 HydrophobicContact CB-CD1 4.32Å
204I98.3Very high97.5Very high6 Ų659.3 Ų59.33%0.03133%0.326CS..Hα-helixtrans-62.6-41.5178.4-55.9163.4000110P193 T202 A207 R208 A216 L219 V220P193-I204 HydrophobicContact CB-CD1 4.2Å; P193-I204 HydrophobicContact CB-CG1 4.35Å; T202-I204 PolarHBondContact O-N 2.99Å; T202-I204 WeakPolarHBondContact OG1-CB 3.49Å; T202-I204 PolarHBondContact OG1-N 3.18Å; I204-A207 PolarHBondContact O-N 2.91Å; I204-R208 VanDerWaalsContact CG2-CZ 3.45Å; I204-R208 WeakPolarHBondContact O-CG 3.5Å; I204-R208 PolarHBondContact O-N 2.91Å; I204-A216 HydrophobicContact CG2-CB 4.15Å; I204-L219 HydrophobicContact CG1-CB 3.7Å; I204-V220 HydrophobicContact CD1-CG2 4.01Å; I204-V220 HydrophobicContact CG2-CG2 3.89Å
205D98.1Very high97.6Very high53 Ų5358.5 Ų58.528%0.28332%0.317SS..Hα-helixtrans-68.4-43.5178.5-55.7-49.3000111.7K201 T202 P203 A207 R208 E209K201-D205 HydrophobicContact CB-CB 4.24Å; T202-D205 WeakPolarHBondContact CB-OD2 3.39Å; T202-D205 PolarHBondContact N-OD2 3.48Å; T202-D205 PolarHBondContact O-N 3.2Å; T202-D205 VanDerWaalsContact O-N 3.15Å; T202-D205 PolarHBondContact OG1-N 2.97Å; T202-D205 VanDerWaalsContact OG1-N 3.12Å; T202-D205 PolarHBondContact OG1-OD2 3.15Å; P203-D205 VanDerWaalsContact C-N 3.32Å; P203-D205 PolarHBondContact O-N 2.63Å; D205-A207 VanDerWaalsContact C-N 3.28Å; D205-A207 PolarHBondContact O-N 3.38Å; D205-R208 PolarHBondContact O-N 2.84Å; D205-R208 VanDerWaalsContact O-N 3.15Å; D205-E209 WeakPolarHBondContact O-CB 3.43Å; D205-E209 WeakPolarHBondContact O-CG 3.31Å; D205-E209 PolarHBondContact O-N 3.48Å
206H98.1Very high97.7Very high10 Ų1057.5 Ų57.55%0.04631%0.309CS..Hα-helixtrans-62.6-33.7174.5-77.8-98.3000112.3H172 K176 D197 T202 P203 V210H172-H206 AromaticContact CD2-CD2 3.77Å; K176-H206 HydrophobicContact CB-CB 4.18Å; K176-H206 PolarHBondContact NZ-ND1 2.93Å; D197-H206 IonicContact OD2-CD2 3.55Å; D197-H206 IonicContact OD2-CE1 3.53Å; D197-H206 PolarHBondContact OD2-CE1 3.06Å; D197-H206 IonicContact OD2-NE2 3.74Å; D197-H206 PolarHBondContact OD2-NE2 2.95Å; T202-H206 PolarHBondContact O-CD2 3.48Å; T202-H206 PolarHBondContact O-N 3.14Å; P203-H206 PolarHBondContact O-N 3.22Å; H206-V210 WeakPolarHBondContact O-CG2 3.42Å; H206-V210 PolarHBondContact O-N 3.15Å
207A98.3Very high97.6Very high0 Ų054.9 Ų54.90%030%0.295CS..Hα-helixtrans-65.7-44.817200000111.7A175 P203 I204 D205 V210 G211 H212 A216 L219A175-A207 HydrophobicContact CB-CB 4.25Å; P203-A207 PolarHBondContact O-N 3.12Å; I204-A207 PolarHBondContact O-N 2.91Å; D205-A207 VanDerWaalsContact C-N 3.28Å; D205-A207 PolarHBondContact O-N 3.38Å; A207-V210 PolarHBondContact O-N 2.79Å; A207-G211 PolarHBondContact O-N 2.95Å; A207-H212 HydrophobicContact CB-CB 4.33Å; A207-H212 PolarHBondContact O-N 2.94Å; A207-A216 HydrophobicContact CB-CB 3.91Å; A207-L219 HydrophobicContact CB-CD1 4.47Å
208R97.8Very high97.6Very high104 Ų10455.1 Ų55.139%0.39230%0.296SS..Hα-helixtrans-64.5-41.8177.6-71.3174.2176.1147.3-0.1112.8I204 D205 V210 G211 A216I204-R208 VanDerWaalsContact CG2-CZ 3.45Å; I204-R208 WeakPolarHBondContact O-CG 3.5Å; I204-R208 PolarHBondContact O-N 2.91Å; D205-R208 PolarHBondContact O-N 2.84Å; D205-R208 VanDerWaalsContact O-N 3.15Å; R208-V210 VanDerWaalsContact C-N 3.3Å; R208-V210 PolarHBondContact O-N 2.75Å; R208-G211 PolarHBondContact O-N 3.07Å; R208-G211 VanDerWaalsContact O-N 3.12Å; R208-A216 HydrophobicContact CG-CB 3.52Å
209E97.3Very high97.7Very high118 Ų11851.1 Ų51.155%0.55127%0.267SS*.Hα-helixtrans-66.5-28.9-179.4-75.6-178.5-179.400113.5K201 D205K201-E209 IonicContact NZ-OE1 3.49Å; K201-E209 PolarHBondContact NZ-OE1 2.82Å; K201-E209 IonicContact NZ-OE2 3.99Å; K201-E209 PolarHBondContact NZ-OE2 3.26Å; D205-E209 WeakPolarHBondContact O-CB 3.43Å; D205-E209 WeakPolarHBondContact O-CG 3.31Å; D205-E209 PolarHBondContact O-N 3.48Å
210V97.4Very high97.7Very high70 Ų7045.9 Ų45.942%0.42424%0.24SC..Hα-helixtrans-89-10.4174.6-1780000112K176 H206 A207 R208 H212K176-V210 HydrophobicContact CG-CG2 3.99Å; H206-V210 WeakPolarHBondContact O-CG2 3.42Å; H206-V210 PolarHBondContact O-N 3.15Å; A207-V210 PolarHBondContact O-N 2.79Å; R208-V210 VanDerWaalsContact C-N 3.3Å; R208-V210 PolarHBondContact O-N 2.75Å; V210-H212 WeakPolarHBondContact CG1-NE2 3.39Å
211G97.8Very high97.7Very high31 Ų3146.9 Ų46.932%0.3223%0.231SC..THydrogen-bonded Turntrans88.715.5-179.800000114.9A207 R208 Y213A207-G211 PolarHBondContact O-N 2.95Å; R208-G211 PolarHBondContact O-N 3.07Å; R208-G211 VanDerWaalsContact O-N 3.12Å; G211-Y213 VanDerWaalsContact O-CD2 3.3Å; G211-Y213 WeakPolarHBondContact O-CD2 3.49Å; G211-Y213 PolarHBondContact O-N 3.39Å
212H98.2Very high97.7Very high65 Ų6545.2 Ų45.230%0.30123%0.225SC..  trans-83.159.2175.5-62.2-44000111.5G178 A207 V210 D214 L215 A216G178-H212 WeakPolarHBondContact CA-CD2 3.33Å; G178-H212 WeakPolarHBondContact CA-NE2 3.41Å; G178-H212 PolarHBondContact N-CD2 3.41Å; G178-H212 PolarHBondContact N-NE2 3.26Å; A207-H212 HydrophobicContact CB-CB 4.33Å; A207-H212 PolarHBondContact O-N 2.94Å; V210-H212 WeakPolarHBondContact CG1-NE2 3.39Å; H212-D214 PolarHBondContact O-N 2.89Å; H212-L215 HydrophobicContact CB-CB 4.19Å; H212-L215 WeakPolarHBondContact O-CB 3.48Å; H212-L215 PolarHBondContact O-N 3.49Å; H212-L215 VanDerWaalsContact O-N 3.09Å; H212-A216 PolarHBondContact O-N 3.06Å
213Y97Very high97.6Very high148 Ų14847.5 Ų47.558%0.5823%0.234SC*.Hα-helixtrans-59.5-41.6-171.8-59.6-67.4000113.9G211 L215 A216 D217G211-Y213 VanDerWaalsContact O-CD2 3.3Å; G211-Y213 WeakPolarHBondContact O-CD2 3.49Å; G211-Y213 PolarHBondContact O-N 3.39Å; Y213-L215 PolarHBondContact O-N 2.95Å; Y213-A216 WeakPolarHBondContact O-CB 3.26Å; Y213-A216 PolarHBondContact O-N 3.05Å; Y213-A216 VanDerWaalsContact O-N 3.09Å; Y213-D217 PolarHBondContact O-N 3.37Å
214D96.9Very high97.5Very high144 Ų14448.3 Ų48.377%0.7724%0.237SC*.Hα-helixtrans-60.9-34.3177.1-57.6-45.5000112.3H212 R218H212-D214 PolarHBondContact O-N 2.89Å; D214-R218 VanDerWaalsContact O-CB 3.24Å; D214-R218 WeakPolarHBondContact O-CB 3.24Å; D214-R218 PolarHBondContact O-N 3.1Å
215L97.9Very high97.4Very high5 Ų549.5 Ų49.53%0.02624%0.242CC..Hα-helixtrans-75.4-37175-17851.8000111.6V180 A183 H212 Y213 R218 L219V180-L215 HydrophobicContact CB-CD1 4.34Å; V180-L215 HydrophobicContact CG1-CD1 4.27Å; V180-L215 HydrophobicContact CG2-CB 4.28Å; V180-L215 HydrophobicContact CG2-CD1 4.19Å; V180-L215 HydrophobicContact CG2-CD2 4.25Å; V180-L215 HydrophobicContact CG2-CG 4.48Å; A183-L215 HydrophobicContact CB-CD1 3.95Å; H212-L215 HydrophobicContact CB-CB 4.19Å; H212-L215 WeakPolarHBondContact O-CB 3.48Å; H212-L215 PolarHBondContact O-N 3.49Å; H212-L215 VanDerWaalsContact O-N 3.09Å; Y213-L215 PolarHBondContact O-N 2.95Å; L215-R218 PolarHBondContact O-N 2.93Å; L215-L219 HydrophobicContact CD1-CD1 4.24Å; L215-L219 HydrophobicContact CD1-CG 4.12Å; L215-L219 HydrophobicContact CG-CD1 4.1Å; L215-L219 HydrophobicContact CG-CG 4.47Å; L215-L219 WeakPolarHBondContact O-CB 3.5Å; L215-L219 WeakPolarHBondContact O-CG 3.36Å; L215-L219 PolarHBondContact O-N 3.24Å
216A97.9Very high97.3Very high0 Ų049.4 Ų49.40%024%0.242CC..Hα-helixtrans-63.2-47174.700000111.7I204 A207 R208 H212 Y213 L219 V220I204-A216 HydrophobicContact CG2-CB 4.15Å; A207-A216 HydrophobicContact CB-CB 3.91Å; R208-A216 HydrophobicContact CG-CB 3.52Å; H212-A216 PolarHBondContact O-N 3.06Å; Y213-A216 WeakPolarHBondContact O-CB 3.26Å; Y213-A216 PolarHBondContact O-N 3.05Å; Y213-A216 VanDerWaalsContact O-N 3.09Å; A216-L219 PolarHBondContact O-N 3.49Å; A216-V220 WeakPolarHBondContact O-CG2 3.49Å; A216-V220 PolarHBondContact O-N 3.29Å
217D96.7Very high97.3Very high49 Ų4949.6 Ų49.626%0.26224%0.243SC..Hα-helixtrans-62.7-42.8176.5-76.55.9000111Y213 L219 V220 E221 K242Y213-D217 PolarHBondContact O-N 3.37Å; D217-L219 VanDerWaalsContact C-N 3.35Å; D217-L219 PolarHBondContact O-N 3.09Å; D217-V220 WeakPolarHBondContact O-CB 3.3Å; D217-V220 PolarHBondContact O-N 2.92Å; D217-E221 PolarHBondContact O-N 3.38Å; D217-K242 IonicContact OD2-NZ 2.68Å; D217-K242 PolarHBondContact OD2-NZ 3.11Å
218R97.4Very high97.3Very high14 Ų1449.7 Ų49.75%0.05324%0.244CC..Hα-helixtrans-65.7-34.7176-178.357.6-169.2133.118.8112.9P57 T59 E184 D214 L215 V220 E221 I222P57-R218 VanDerWaalsContact CB-CZ 3.41Å; T59-R218 PolarHBondContact OG1-NE 3.46Å; E184-R218 IonicContact OE1-CZ 2.7Å; E184-R218 IonicContact OE1-NE 3.73Å; E184-R218 PolarHBondContact OE1-NE 3.45Å; E184-R218 IonicContact OE1-NH2 2.66Å; E184-R218 PolarHBondContact OE1-NH2 3Å; E184-R218 VanDerWaalsContact OE1-NH2 3.09Å; E184-R218 IonicContact OE2-CZ 3.88Å; E184-R218 IonicContact OE2-NH2 2.99Å; E184-R218 PolarHBondContact OE2-NH2 3.11Å; D214-R218 VanDerWaalsContact O-CB 3.24Å; D214-R218 WeakPolarHBondContact O-CB 3.24Å; D214-R218 PolarHBondContact O-N 3.1Å; L215-R218 PolarHBondContact O-N 2.93Å; R218-V220 VanDerWaalsContact C-N 3.33Å; R218-E221 WeakPolarHBondContact CD-OE2 3.44Å; R218-E221 IonicContact CZ-OE2 2.63Å; R218-E221 IonicContact NE-OE2 3.86Å; R218-E221 IonicContact NH1-OE2 2.76Å; R218-E221 PolarHBondContact NH1-OE2 2.99Å; R218-E221 WeakPolarHBondContact O-CB 3.38Å; R218-E221 PolarHBondContact O-N 3.5Å; R218-I222 HydrophobicContact CG-CD1 4.18Å; R218-I222 WeakPolarHBondContact O-CD1 3.23Å; R218-I222 VanDerWaalsContact O-CG1 3.25Å; R218-I222 WeakPolarHBondContact O-CG1 3.35Å; R218-I222 PolarHBondContact O-N 3.37Å
219L98.1Very high97.2Very high0 Ų046.1 Ų46.10%023%0.231CC..Hα-helixtrans-67.8-32.8173.2-76.4167000112.1L171 A175 A183 P193 P203 I204 A207 L215 A216 D217 I222 Q223L171-L219 HydrophobicContact CD1-CD2 4.05Å; L171-L219 HydrophobicContact CD2-CD2 4.25Å; L171-L219 HydrophobicContact CG-CD2 4.36Å; A175-L219 HydrophobicContact CB-CD1 3.97Å; A183-L219 HydrophobicContact CB-CD2 4.32Å; P193-L219 HydrophobicContact CB-CB 4.43Å; P193-L219 HydrophobicContact CB-CD2 4.31Å; P193-L219 HydrophobicContact CG-CD2 4.41Å; P203-L219 HydrophobicContact CB-CD1 4.32Å; I204-L219 HydrophobicContact CG1-CB 3.7Å; A207-L219 HydrophobicContact CB-CD1 4.47Å; L215-L219 HydrophobicContact CD1-CD1 4.24Å; L215-L219 HydrophobicContact CD1-CG 4.12Å; L215-L219 HydrophobicContact CG-CD1 4.1Å; L215-L219 HydrophobicContact CG-CG 4.47Å; L215-L219 WeakPolarHBondContact O-CB 3.5Å; L215-L219 WeakPolarHBondContact O-CG 3.36Å; L215-L219 PolarHBondContact O-N 3.24Å; A216-L219 PolarHBondContact O-N 3.49Å; D217-L219 VanDerWaalsContact C-N 3.35Å; D217-L219 PolarHBondContact O-N 3.09Å; L219-I222 PolarHBondContact O-N 3.03Å; L219-Q223 PolarHBondContact O-N 3.46Å
220V97.4Very high97.2Very high10 Ų1040.5 Ų40.56%0.06120%0.204CC..Hα-helixtrans-65.6-46.3170.6176.10000110.7I204 A216 D217 R218 I222 Q223 Y224 H241I204-V220 HydrophobicContact CD1-CG2 4.01Å; I204-V220 HydrophobicContact CG2-CG2 3.89Å; A216-V220 WeakPolarHBondContact O-CG2 3.49Å; A216-V220 PolarHBondContact O-N 3.29Å; D217-V220 WeakPolarHBondContact O-CB 3.3Å; D217-V220 PolarHBondContact O-N 2.92Å; R218-V220 VanDerWaalsContact C-N 3.33Å; V220-I222 PolarHBondContact O-N 3.09Å; V220-Q223 WeakPolarHBondContact O-CB 3.39Å; V220-Q223 PolarHBondContact O-N 2.97Å; V220-Q223 VanDerWaalsContact O-N 3.13Å; V220-Y224 HydrophobicContact CG1-CD2 3.99Å; V220-Y224 HydrophobicContact CG1-CE2 3.88Å; V220-Y224 VanDerWaalsContact O-CD2 3.27Å; V220-Y224 WeakPolarHBondContact O-CD2 3.33Å; V220-Y224 PolarHBondContact O-N 3.44Å; V220-H241 HydrophobicContact CG1-CB 3.82Å
221E96.6Very high97.2Very high73 Ų7337.2 Ų37.234%0.34118%0.184SC..Hα-helixtrans-56.1-38.7173.2-66.6178.1-176.300112.5D217 R218 E225D217-E221 PolarHBondContact O-N 3.38Å; R218-E221 WeakPolarHBondContact CD-OE2 3.44Å; R218-E221 IonicContact CZ-OE2 2.63Å; R218-E221 IonicContact NE-OE2 3.86Å; R218-E221 IonicContact NH1-OE2 2.76Å; R218-E221 PolarHBondContact NH1-OE2 2.99Å; R218-E221 WeakPolarHBondContact O-CB 3.38Å; R218-E221 PolarHBondContact O-N 3.5Å; E221-E225 PolarHBondContact O-N 2.9Å
222I97.3Very high97.1Very high28 Ų2839.2 Ų39.214%0.14419%0.185CC..Hα-helixtrans-69.9-38.4178.3-67162.3000111.1T187 P193 R218 L219 V220 Y224 E225T187-I222 HydrophobicContact CG2-CD1 4.39Å; T187-I222 HydrophobicContact CG2-CG2 3.72Å; P193-I222 HydrophobicContact CG-CB 4.27Å; P193-I222 HydrophobicContact CG-CG2 3.87Å; R218-I222 HydrophobicContact CG-CD1 4.18Å; R218-I222 WeakPolarHBondContact O-CD1 3.23Å; R218-I222 VanDerWaalsContact O-CG1 3.25Å; R218-I222 WeakPolarHBondContact O-CG1 3.35Å; R218-I222 PolarHBondContact O-N 3.37Å; L219-I222 PolarHBondContact O-N 3.03Å; V220-I222 PolarHBondContact O-N 3.09Å; I222-Y224 PolarHBondContact O-N 2.91Å; I222-E225 PolarHBondContact O-N 3.42Å
223Q96.8Very high97Very high69 Ų6939.6 Ų39.632%0.32218%0.184SC..Hα-helixtrans-58.4-35.1177.1-167.1-179.613.700112.3P193 L219 V220P193-Q223 HydrophobicContact CB-CB 4.17Å; P193-Q223 HydrophobicContact CG-CB 4.31Å; L219-Q223 PolarHBondContact O-N 3.46Å; V220-Q223 WeakPolarHBondContact O-CB 3.39Å; V220-Q223 PolarHBondContact O-N 2.97Å; V220-Q223 VanDerWaalsContact O-N 3.13Å
224Y96.6Very high96.9Very high18 Ų1835 Ų357%0.07117%0.169CC..Hα-helixtrans-102.8-1.3-179.3-62.5-72.7000114.7V220 I222 L226 T227 D228 H241 H246 F247 Q358V220-Y224 HydrophobicContact CG1-CD2 3.99Å; V220-Y224 HydrophobicContact CG1-CE2 3.88Å; V220-Y224 VanDerWaalsContact O-CD2 3.27Å; V220-Y224 WeakPolarHBondContact O-CD2 3.33Å; V220-Y224 PolarHBondContact O-N 3.44Å; I222-Y224 PolarHBondContact O-N 2.91Å; Y224-L226 CarbonylContact O-C 3.53Å; Y224-L226 PolarHBondContact O-N 3.08Å; Y224-T227 PolarHBondContact O-N 3.41Å; Y224-T227 PolarHBondContact O-OG1 3.08Å; Y224-D228 WeakPolarHBondContact O-CB 3.48Å; Y224-D228 PolarHBondContact O-N 2.98Å; Y224-H241 AromaticContact CD2-CE1 3.9Å; Y224-H241 AromaticContact CD2-NE2 3.77Å; Y224-H246 HydrophobicContact CD1-CB 4.05Å; Y224-H246 HydrophobicContact CD2-CB 4.21Å; Y224-H246 AromaticContact CD2-ND1 3.73Å; Y224-H246 HydrophobicContact CE1-CB 3.63Å; Y224-H246 HydrophobicContact CE2-CB 3.83Å; Y224-H246 AromaticContact CE2-CE1 3.84Å; Y224-H246 AromaticContact CE2-CG 3.48Å; Y224-H246 VanDerWaalsContact CE2-CG 3.48Å; Y224-H246 AromaticContact CE2-ND1 3.23Å; Y224-H246 WeakPolarHBondContact CE2-ND1 3.31Å; Y224-H246 HydrophobicContact CG-CB 4.33Å; Y224-H246 AromaticContact CZ-CD2 3.98Å; Y224-H246 AromaticContact CZ-CG 3.46Å; Y224-H246 VanDerWaalsContact CZ-CG 3.46Å; Y224-H246 AromaticContact CZ-ND1 3.75Å; Y224-F247 HydrophobicContact CE1-CZ 4.27Å; Y224-Q358 PolarHBondContact OH-NE2 3.15Å; Y224-Q358 PolarHBondContact OH-OE1 3.41Å
225E96.1Very high96.7Very high30 Ų3030.4 Ų30.414%0.1415%0.148CC..Hα-helixtrans-50.8-31.2-173.3174.765.4177.200113.6E221 I222 R229 K238E221-E225 PolarHBondContact O-N 2.9Å; I222-E225 PolarHBondContact O-N 3.42Å; E225-R229 VanDerWaalsContact O-CB 3.26Å; E225-R229 WeakPolarHBondContact O-CB 3.49Å; E225-R229 PolarHBondContact O-N 3.13Å; E225-K238 IonicContact OE2-NZ 3.45Å; E225-K238 PolarHBondContact OE2-NZ 3.11Å
226L96.8Very high96.5Very high51 Ų5132.5 Ų32.527%0.26717%0.171SC..Hα-helixtrans-61.2-61.8172.6-166.8161.6000111.3Y224 D228 R229 L230 A283 M284 Y287Y224-L226 CarbonylContact O-C 3.53Å; Y224-L226 PolarHBondContact O-N 3.08Å; L226-D228 VanDerWaalsContact C-N 3.33Å; L226-D228 PolarHBondContact O-N 3.3Å; L226-R229 PolarHBondContact O-N 3.06Å; L226-L230 HydrophobicContact CD2-CD1 3.77Å; L226-L230 HydrophobicContact CD2-CG 4.21Å; L226-L230 WeakPolarHBondContact O-CG 3.48Å; L226-L230 PolarHBondContact O-N 3.05Å; L226-L230 VanDerWaalsContact O-N 3.11Å; L226-A283 HydrophobicContact CD1-CB 4.21Å; L226-A283 HydrophobicContact CD2-CB 4.01Å; L226-M284 HydrophobicContact CD1-CG 4.03Å; L226-Y287 HydrophobicContact CB-CD2 4.22Å; L226-Y287 HydrophobicContact CG-CD2 3.91Å; L226-Y287 HydrophobicContact CG-CG 4.27Å
227T97.2Very high96.2Very high14 Ų1441.1 Ų41.19%0.08620%0.203CC..Hα-helixtrans-68.4-33.1-178.242.30000112.6Y224 L230 A231 F247 L351 A354Y224-T227 PolarHBondContact O-N 3.41Å; Y224-T227 PolarHBondContact O-OG1 3.08Å; T227-L230 PolarHBondContact O-N 2.78Å; T227-A231 WeakPolarHBondContact O-CB 3.4Å; T227-A231 PolarHBondContact O-N 3.14Å; T227-F247 HydrophobicContact CG2-CD1 4.46Å; T227-F247 HydrophobicContact CG2-CE1 4.16Å; T227-L351 HydrophobicContact CG2-CD2 4.14Å; T227-L351 VanDerWaalsContact O-CD2 3.25Å; T227-L351 WeakPolarHBondContact O-CD2 3.46Å; T227-A354 HydrophobicContact CG2-CB 3.82Å
228D97.2Very high96Very high3 Ų343 Ų432%0.01621%0.209CC..Hα-helixtrans-58.2-47.2172.2-100.938000112.2Y224 L226 A231 F232 K238 P239 H241Y224-D228 WeakPolarHBondContact O-CB 3.48Å; Y224-D228 PolarHBondContact O-N 2.98Å; L226-D228 VanDerWaalsContact C-N 3.33Å; L226-D228 PolarHBondContact O-N 3.3Å; D228-A231 PolarHBondContact O-N 3.3Å; D228-F232 VanDerWaalsContact O-CB 3.24Å; D228-F232 WeakPolarHBondContact O-CB 3.4Å; D228-F232 PolarHBondContact O-N 3.09Å; D228-K238 HydrophobicContact CB-CD 4.33Å; D228-K238 HydrophobicContact CB-CG 4.14Å; D228-K238 WeakPolarHBondContact OD2-CD 3.29Å; D228-K238 VanDerWaalsContact OD2-CE 3.29Å; D228-K238 WeakPolarHBondContact OD2-CE 3.48Å; D228-K238 VanDerWaalsContact OD2-CG 3.29Å; D228-K238 WeakPolarHBondContact OD2-CG 3.43Å; D228-K238 IonicContact OD2-NZ 3.91Å; D228-K238 PolarHBondContact OD2-NZ 2.88Å; D228-P239 WeakPolarHBondContact OD1-CD 3.49Å; D228-P239 WeakPolarHBondContact OD1-CG 3.4Å; D228-H241 IonicContact OD1-CE1 2.62Å; D228-H241 PolarHBondContact OD1-CE1 2.72Å; D228-H241 VanDerWaalsContact OD1-CE1 3.24Å; D228-H241 IonicContact OD1-NE2 3.62Å; D228-H241 IonicContact OD2-NE2 3.69Å
229R97.1Very high95.8Very high28 Ų2843 Ų4311%0.10621%0.211CC..Hα-helixtrans-70.2-39.6-179.5-165.3175.2-169176.2-3.4111.7E225 L226 A231 F232 Y233 Y287 V290 D291 E294E225-R229 VanDerWaalsContact O-CB 3.26Å; E225-R229 WeakPolarHBondContact O-CB 3.49Å; E225-R229 PolarHBondContact O-N 3.13Å; L226-R229 PolarHBondContact O-N 3.06Å; R229-A231 VanDerWaalsContact C-N 3.33Å; R229-A231 PolarHBondContact O-N 2.92Å; R229-F232 PolarHBondContact O-N 2.79Å; R229-Y233 VanDerWaalsContact O-CB 3.32Å; R229-Y233 WeakPolarHBondContact O-CB 3.45Å; R229-Y233 PolarHBondContact O-N 3.4Å; R229-Y287 HydrophobicContact CB-CD2 4.14Å; R229-Y287 HydrophobicContact CB-CE2 3.66Å; R229-Y287 HydrophobicContact CG-CE2 4.12Å; R229-Y287 PolarHBondContact NH1-OH 3.16Å; R229-Y287 VanDerWaalsContact NH1-OH 3.11Å; R229-V290 HydrophobicContact CG-CG1 4.05Å; R229-D291 IonicContact CZ-OD1 3.6Å; R229-D291 IonicContact NH1-OD1 3.73Å; R229-D291 PolarHBondContact NH1-OD1 3.34Å; R229-D291 IonicContact NH2-OD1 2.65Å; R229-D291 PolarHBondContact NH2-OD1 3.49Å; R229-E294 IonicContact CZ-OE2 2.67Å; R229-E294 IonicContact NE-OE2 3.25Å; R229-E294 PolarHBondContact NE-OE2 3.37Å; R229-E294 IonicContact NH2-OE2 2.76Å; R229-E294 PolarHBondContact NH2-OE2 3Å
230L97.8Very high95.5Very high0 Ų046.4 Ų46.40%023%0.229CC..Hα-helixtrans-59-41.4172.4-72.3-167.5000112.2L226 T227 V286 V290 V347 I350 L351L226-L230 HydrophobicContact CD2-CD1 3.77Å; L226-L230 HydrophobicContact CD2-CG 4.21Å; L226-L230 WeakPolarHBondContact O-CG 3.48Å; L226-L230 PolarHBondContact O-N 3.05Å; L226-L230 VanDerWaalsContact O-N 3.11Å; T227-L230 PolarHBondContact O-N 2.78Å; L230-V286 HydrophobicContact CD2-CG1 4.07Å; L230-V290 HydrophobicContact CD2-CB 4.38Å; L230-V290 HydrophobicContact CD2-CG2 3.71Å; L230-V347 HydrophobicContact CB-CG1 3.86Å; L230-V347 HydrophobicContact CD2-CG1 4.22Å; L230-V347 HydrophobicContact CD2-CG2 4.35Å; L230-V347 HydrophobicContact CG-CG1 4.42Å; L230-V347 WeakPolarHBondContact O-CG1 3.41Å; L230-I350 HydrophobicContact CD1-CB 4.47Å; L230-I350 HydrophobicContact CD1-CG2 3.68Å; L230-L351 HydrophobicContact CB-CD1 4.36Å; L230-L351 HydrophobicContact CB-CD2 3.85Å; L230-L351 HydrophobicContact CB-CG 4.13Å
231A96.8Very high95.3Very high1 Ų147.2 Ų47.21%0.00823%0.232CC..Hα-helixtrans-71-43.4175.300000112.2T227 D228 R229 Y233 L234 C235 I248 L351T227-A231 WeakPolarHBondContact O-CB 3.4Å; T227-A231 PolarHBondContact O-N 3.14Å; D228-A231 PolarHBondContact O-N 3.3Å; R229-A231 VanDerWaalsContact C-N 3.33Å; R229-A231 PolarHBondContact O-N 2.92Å; A231-Y233 PolarHBondContact O-N 2.85Å; A231-L234 PolarHBondContact O-N 3.21Å; A231-C235 PolarHBondContact O-N 3.01Å; A231-C235 PolarHBondContact O-SG 2.96Å; A231-I248 HydrophobicContact CB-CB 4.16Å; A231-L351 HydrophobicContact CB-CD1 4.19Å; A231-L351 HydrophobicContact CB-CD2 4.3Å
232F96.1Very high95Very high74 Ų7451 Ų5133%0.32525%0.247SC..Hα-helixtrans-61.1-42.8179.3-176.3-94.8000112D228 R229 L234 C235 G236 R237 K238D228-F232 VanDerWaalsContact O-CB 3.24Å; D228-F232 WeakPolarHBondContact O-CB 3.4Å; D228-F232 PolarHBondContact O-N 3.09Å; R229-F232 PolarHBondContact O-N 2.79Å; F232-L234 PolarHBondContact O-N 2.98Å; F232-C235 PolarHBondContact O-N 3.4Å; F232-G236 VanDerWaalsContact CD2-C 3.47Å; F232-G236 WeakPolarHBondContact CE2-O 3.47Å; F232-G236 WeakPolarHBondContact O-CA 3.05Å; F232-G236 PolarHBondContact O-N 3.34Å; F232-R237 WeakPolarHBondContact CA-O 3.5Å; F232-R237 PolarHBondContact N-O 3.02Å; F232-K238 HydrophobicContact CB-CG 4.43Å; F232-K238 HydrophobicContact CD2-CG 4.43Å
233Y95.9Very high94.7Very high72 Ų7255.8 Ų55.828%0.28227%0.273SS..Hα-helixtrans-55.3-33.4176.6175.7-101.4000113.3R229 A231 V290 R293 E294 F343R229-Y233 VanDerWaalsContact O-CB 3.32Å; R229-Y233 WeakPolarHBondContact O-CB 3.45Å; R229-Y233 PolarHBondContact O-N 3.4Å; A231-Y233 PolarHBondContact O-N 2.85Å; Y233-V290 HydrophobicContact CD1-CG2 3.97Å; Y233-V290 HydrophobicContact CD2-CG1 3.86Å; Y233-V290 HydrophobicContact CD2-CG2 4.33Å; Y233-V290 HydrophobicContact CE1-CG2 4.41Å; Y233-V290 HydrophobicContact CG-CG1 3.87Å; Y233-V290 HydrophobicContact CG-CG2 3.93Å; Y233-R293 HydrophobicContact CE2-CB 4.2Å; Y233-R293 WeakPolarHBondContact OH-CD 3.22Å; Y233-E294 HydrophobicContact CD2-CG 4Å; Y233-F343 HydrophobicContact CD1-CE1 4.34Å; Y233-F343 AromaticContact CE1-CD1 3.71Å; Y233-F343 HydrophobicContact CE1-CD1 3.71Å; Y233-F343 AromaticContact CE1-CE1 3.65Å; Y233-F343 HydrophobicContact CE1-CE1 3.65Å
234L94.9Very high94.2Very high53 Ų5354.8 Ų54.828%0.27728%0.281SS..Hα-helixtrans-94.3-28.9-178.6-65.4-175000115A231 F232 P250 A344 V347 I348A231-L234 PolarHBondContact O-N 3.21Å; F232-L234 PolarHBondContact O-N 2.98Å; L234-P250 HydrophobicContact CB-CB 4.43Å; L234-P250 HydrophobicContact CB-CG 3.99Å; L234-P250 HydrophobicContact CD1-CB 4.46Å; L234-P250 HydrophobicContact CD1-CG 4.11Å; L234-A344 HydrophobicContact CD1-CB 4.45Å; L234-A344 HydrophobicContact CD2-CB 3.74Å; L234-V347 HydrophobicContact CD1-CB 3.93Å; L234-V347 HydrophobicContact CD1-CG1 3.55Å; L234-V347 HydrophobicContact CG-CG1 4Å; L234-I348 HydrophobicContact CD1-CD1 4.13Å; L234-I348 HydrophobicContact CD1-CG1 3.58Å
235C93.1Very high94Very high47 Ų4760 Ų6032%0.31831%0.307SS..Hα-helixtrans-133.71.7-172.1730000116A231 F232 R237A231-C235 PolarHBondContact O-N 3.01Å; A231-C235 PolarHBondContact O-SG 2.96Å; F232-C235 PolarHBondContact O-N 3.4Å; C235-R237 PolarHBondContact O-N 3.4Å
236G92.9Very high93.9Very high49 Ų4960.8 Ų60.851%0.50531%0.31SS..SBendtrans66.420178.900000114.6F232F232-G236 VanDerWaalsContact CD2-C 3.47Å; F232-G236 WeakPolarHBondContact CE2-O 3.47Å; F232-G236 WeakPolarHBondContact O-CA 3.05Å; F232-G236 PolarHBondContact O-N 3.34Å
237R91.9Very high93.8Very high181 Ų18159.8 Ų59.868%0.68330%0.304SS*.  trans-134.3146.2-175.7-59.7174-163.9-168.13110.8F232 C235 I248F232-R237 WeakPolarHBondContact CA-O 3.5Å; F232-R237 PolarHBondContact N-O 3.02Å; C235-R237 PolarHBondContact O-N 3.4Å; R237-I248 HydrophobicContact CB-CD1 4.02Å
238K91.2Very high93.7Very high87 Ų8761.2 Ų61.238%0.37831%0.31SS..  trans-105.9155.5167.1-80179.2156.5-115.10109.9E225 D228 F232 I248E225-K238 IonicContact OE2-NZ 3.45Å; E225-K238 PolarHBondContact OE2-NZ 3.11Å; D228-K238 HydrophobicContact CB-CD 4.33Å; D228-K238 HydrophobicContact CB-CG 4.14Å; D228-K238 WeakPolarHBondContact OD2-CD 3.29Å; D228-K238 VanDerWaalsContact OD2-CE 3.29Å; D228-K238 WeakPolarHBondContact OD2-CE 3.48Å; D228-K238 VanDerWaalsContact OD2-CG 3.29Å; D228-K238 WeakPolarHBondContact OD2-CG 3.43Å; D228-K238 IonicContact OD2-NZ 3.91Å; D228-K238 PolarHBondContact OD2-NZ 2.88Å; F232-K238 HydrophobicContact CB-CG 4.43Å; F232-K238 HydrophobicContact CD2-CG 4.43Å; K238-I248 VanDerWaalsContact C-CD1 3.48Å; K238-I248 WeakPolarHBondContact O-CD1 3.21Å
239P93.6Very high93.5Very high15 Ų1564 Ų6410%0.09732%0.324CS..  trans-66.2156.7175.2-14.731.3000112.5D228 H241 E245 I248D228-P239 WeakPolarHBondContact OD1-CD 3.49Å; D228-P239 WeakPolarHBondContact OD1-CG 3.4Å; P239-H241 PolarHBondContact O-N 3.47Å; P239-E245 WeakPolarHBondContact CB-O 3.23Å; P239-I248 HydrophobicContact CB-CG1 4.24Å; P239-I248 HydrophobicContact CG-CD1 4.43Å; P239-I248 HydrophobicContact CG-CG1 4.1Å
240D92.8Very high93.2Very high72 Ų7263.6 Ų63.639%0.38533%0.325SS..  trans-92.686.5172.8-172.2-8.3000111.6K242 N243 G244 E245D240-K242 PolarHBondContact O-N 2.7Å; D240-K242 WeakPolarHBondContact OD1-CB 3.37Å; D240-K242 PolarHBondContact OD1-N 3.39Å; D240-N243 PolarHBondContact O-N 3.45Å; D240-N243 VanDerWaalsContact O-N 3.15Å; D240-N243 PolarHBondContact OD1-N 2.96Å; D240-N243 PolarHBondContact OD2-ND2 2.88Å; D240-G244 PolarHBondContact O-N 3.17Å; D240-E245 CarbonylContact C-O 3.6Å; D240-E245 PolarHBondContact N-O 3.34Å; D240-E245 PolarHBondContact O-N 2.91Å
241H93.7Very high92.5Very high26 Ų2672.5 Ų72.512%0.1237%0.367CS..G310 helixtrans-60.2-24.6179.4-60.4-13.3000114.1V220 Y224 D228 P239 N243 G244 E245 H246V220-H241 HydrophobicContact CG1-CB 3.82Å; Y224-H241 AromaticContact CD2-CE1 3.9Å; Y224-H241 AromaticContact CD2-NE2 3.77Å; D228-H241 IonicContact OD1-CE1 2.62Å; D228-H241 PolarHBondContact OD1-CE1 2.72Å; D228-H241 VanDerWaalsContact OD1-CE1 3.24Å; D228-H241 IonicContact OD1-NE2 3.62Å; D228-H241 IonicContact OD2-NE2 3.69Å; P239-H241 PolarHBondContact O-N 3.47Å; H241-N243 VanDerWaalsContact C-N 3.27Å; H241-N243 PolarHBondContact O-N 3.26Å; H241-G244 PolarHBondContact O-N 3.25Å; H241-G244 VanDerWaalsContact O-N 3.15Å; H241-E245 PolarHBondContact N-O 2.71Å; H241-E245 PolarHBondContact ND1-O 3.1Å; H241-H246 AromaticContact CG-ND1 3.68Å; H241-H246 AromaticContact ND1-ND1 3.45Å; H241-H246 PolarHBondContact ND1-ND1 3.17Å
242K89.6Confident91.5Very high153 Ų15375.7 Ų75.767%0.66538%0.383SS*.G310 helixtrans-72.7-26.4-179.4-62.8178.9-174.1-94.80111.4D217 D240D217-K242 IonicContact OD2-NZ 2.68Å; D217-K242 PolarHBondContact OD2-NZ 3.11Å; D240-K242 PolarHBondContact O-N 2.7Å; D240-K242 WeakPolarHBondContact OD1-CB 3.37Å; D240-K242 PolarHBondContact OD1-N 3.39Å
243N90.1Very high90Very high128 Ų12876.8 Ų76.868%0.68441%0.406SS*.G310 helixtrans-92.27.9171.9-75.9-54.5000113.3D240 H241 E245D240-N243 PolarHBondContact O-N 3.45Å; D240-N243 VanDerWaalsContact O-N 3.15Å; D240-N243 PolarHBondContact OD1-N 2.96Å; D240-N243 PolarHBondContact OD2-ND2 2.88Å; H241-N243 VanDerWaalsContact C-N 3.27Å; H241-N243 PolarHBondContact O-N 3.26Å; N243-E245 VanDerWaalsContact C-N 3.29Å; N243-E245 PolarHBondContact O-N 3.48Å
244G87.9Confident88Confident48 Ų4878.5 Ų78.550%0.49542%0.42SS..THydrogen-bonded Turntrans77.98.2-177.900000114.6D240 H241 H246D240-G244 PolarHBondContact O-N 3.17Å; H241-G244 PolarHBondContact O-N 3.25Å; H241-G244 VanDerWaalsContact O-N 3.15Å; G244-H246 PolarHBondContact O-CD2 3.41Å; G244-H246 PolarHBondContact O-N 2.84Å
245E91Very high86Confident129 Ų12981.2 Ų81.260%0.60344%0.443SS*.  trans-85.2103.7173-63.6-159.2148.600109.6P239 D240 H241 N243P239-E245 WeakPolarHBondContact CB-O 3.23Å; D240-E245 CarbonylContact C-O 3.6Å; D240-E245 PolarHBondContact N-O 3.34Å; D240-E245 PolarHBondContact O-N 2.91Å; H241-E245 PolarHBondContact N-O 2.71Å; H241-E245 PolarHBondContact ND1-O 3.1Å; N243-E245 VanDerWaalsContact C-N 3.29Å; N243-E245 PolarHBondContact O-N 3.48Å
246H94.3Very high84Confident46 Ų4689.6 Ų89.621%0.21347%0.468CS..  trans-102.5-2.4-177.3-59.6-57.4000114.6Y224 H241 G244Y224-H246 HydrophobicContact CD1-CB 4.05Å; Y224-H246 HydrophobicContact CD2-CB 4.21Å; Y224-H246 AromaticContact CD2-ND1 3.73Å; Y224-H246 HydrophobicContact CE1-CB 3.63Å; Y224-H246 HydrophobicContact CE2-CB 3.83Å; Y224-H246 AromaticContact CE2-CE1 3.84Å; Y224-H246 AromaticContact CE2-CG 3.48Å; Y224-H246 VanDerWaalsContact CE2-CG 3.48Å; Y224-H246 AromaticContact CE2-ND1 3.23Å; Y224-H246 WeakPolarHBondContact CE2-ND1 3.31Å; Y224-H246 HydrophobicContact CG-CB 4.33Å; Y224-H246 AromaticContact CZ-CD2 3.98Å; Y224-H246 AromaticContact CZ-CG 3.46Å; Y224-H246 VanDerWaalsContact CZ-CG 3.46Å; Y224-H246 AromaticContact CZ-ND1 3.75Å; H241-H246 AromaticContact CG-ND1 3.68Å; H241-H246 AromaticContact ND1-ND1 3.45Å; H241-H246 PolarHBondContact ND1-ND1 3.17Å; G244-H246 PolarHBondContact O-CD2 3.41Å; G244-H246 PolarHBondContact O-N 2.84Å
247F95.3Very high82.1Confident29 Ų2989.4 Ų89.413%0.12746%0.459CS..  trans-144.2131179.7-58.6-86.7000112.5Y224 T227 I249 A354 K355 Q358Y224-F247 HydrophobicContact CE1-CZ 4.27Å; T227-F247 HydrophobicContact CG2-CD1 4.46Å; T227-F247 HydrophobicContact CG2-CE1 4.16Å; F247-I249 HydrophobicContact CB-CD1 4.36Å; F247-A354 HydrophobicContact CE1-CB 4.04Å; F247-K355 HydrophobicContact CB-CB 4.36Å; F247-K355 HydrophobicContact CB-CD 3.94Å; F247-K355 HydrophobicContact CB-CG 4.33Å; F247-K355 HydrophobicContact CD1-CB 3.93Å; F247-K355 HydrophobicContact CD2-CB 3.93Å; F247-K355 HydrophobicContact CD2-CD 4.13Å; F247-K355 HydrophobicContact CD2-CG 3.71Å; F247-K355 HydrophobicContact CE1-CB 4.16Å; F247-K355 HydrophobicContact CE2-CB 4.16Å; F247-K355 HydrophobicContact CE2-CG 4.11Å; F247-K355 HydrophobicContact CG-CB 3.82Å; F247-K355 HydrophobicContact CG-CD 4.14Å; F247-K355 HydrophobicContact CG-CG 3.97Å; F247-K355 HydrophobicContact CZ-CB 4.28Å; F247-Q358 HydrophobicContact CE2-CB 4.42Å; F247-Q358 HydrophobicContact CZ-CB 4.07Å; F247-Q358 VanDerWaalsContact CZ-OE1 3.32Å
248I94.3Very high80.5Confident45 Ų4585.2 Ų85.223%0.23146%0.455CS..  trans-103.3130.4160.6-68.9173.8000107.8A231 R237 K238 P239A231-I248 HydrophobicContact CB-CB 4.16Å; R237-I248 HydrophobicContact CB-CD1 4.02Å; K238-I248 VanDerWaalsContact C-CD1 3.48Å; K238-I248 WeakPolarHBondContact O-CD1 3.21Å; P239-I248 HydrophobicContact CB-CG1 4.24Å; P239-I248 HydrophobicContact CG-CD1 4.43Å; P239-I248 HydrophobicContact CG-CG1 4.1Å
249I93.6Very high78.7Confident60 Ų6087.3 Ų87.331%0.30847%0.47SS..  trans-112.1105.4173.7-47.9-58.2000108F247 I348 L351 K355F247-I249 HydrophobicContact CB-CD1 4.36Å; I249-I348 HydrophobicContact CG2-CG2 4.28Å; I249-L351 HydrophobicContact CD1-CB 3.82Å; I249-L351 WeakPolarHBondContact CD1-O 3.41Å; I249-K355 HydrophobicContact CD1-CB 4.4Å; I249-K355 HydrophobicContact CD1-CD 4.28Å; I249-K355 HydrophobicContact CG1-CD 4.27Å
250P91.1Very high77.1Confident20 Ų2091.4 Ų91.413%0.1349%0.491CS..  trans-63.6154.9175.7-21.933.8000112.5L234 I348 L351L234-P250 HydrophobicContact CB-CB 4.43Å; L234-P250 HydrophobicContact CB-CG 3.99Å; L234-P250 HydrophobicContact CD1-CB 4.46Å; L234-P250 HydrophobicContact CD1-CG 4.11Å; P250-I348 HydrophobicContact CB-CD1 4.1Å; P250-I348 HydrophobicContact CB-CG1 4.06Å; P250-I348 HydrophobicContact CG-CG1 4.37Å; P250-L351 HydrophobicContact CG-CD1 4.38Å
251Q82.8Confident76.1Confident187 Ų18790.5 Ų90.587%0.87449%0.488SS*.  trans-110.5137.2174.1-65.5-176.5-2.300110.1
252M75Confident75.6Confident68 Ų6893.7 Ų93.734%0.33550%0.503SS..  trans-78135.7173.7-65.9-68.3-83.200110.1D254 H341 A344 I348M252-D254 PolarHBondContact O-N 3.42Å; M252-H341 WeakPolarHBondContact CE-CD2 3.33Å; M252-H341 WeakPolarHBondContact CE-NE2 3.39Å; M252-A344 HydrophobicContact CE-CB 4.29Å; M252-A344 HydrophobicContact SD-CB 4.02Å; M252-I348 HydrophobicContact CG-CD1 3.65Å; M252-I348 HydrophobicContact SD-CD1 3.59Å; M252-I348 VanDerWaalsContact SD-CD1 3.59Å
253A64.3Low75.4Confident98 Ų9892.4 Ų92.481%0.8150%0.503SS*.SBendtrans-69.1-32.1-175.900000114
254D54.5Low75.2Confident108 Ų10888 Ų8858%0.57848%0.484SS*.  trans-117.580-168.1-77.6-68.1000113.4M252 R256M252-D254 PolarHBondContact O-N 3.42Å; D254-R256 PolarHBondContact O-N 2.97Å
255S53.1Low75.1Confident109 Ų10990.3 Ų90.376%0.76248%0.48SS*.  trans-74.436.7166.7-540000112.8
256R50.4Low75.1Confident223 Ų22386.2 Ų86.284%0.84247%0.469SS*.  trans-100.84.7-160.9-96-176.3171.5-169.2-1.3116.6D254D254-R256 PolarHBondContact O-N 2.97Å
257S54.6Low75Confident45 Ų4586.8 Ų86.832%0.31548%0.481SS..  trans-127.4129.2168.759.60000111.6T261S257-T261 PolarHBondContact O-OG1 3.49Å
258P56.7Low74.8Confident94 Ų9488.2 Ų88.261%0.6149%0.488SS*.Hα-helixtrans-73-34.8-17828.5-33.4000112.5T261 E262P258-T261 WeakPolarHBondContact O-CA 3.46Å; P258-T261 VanDerWaalsContact O-CB 3.23Å; P258-T261 WeakPolarHBondContact O-CB 3.4Å; P258-T261 PolarHBondContact O-N 3.15Å; P258-T261 VanDerWaalsContact O-N 3.11Å; P258-E262 PolarHBondContact O-N 3.07Å
259D55Low74.8Confident130 Ų13093 Ų9370%0.69550%0.503SS*.Hα-helixtrans-75.8-41.4-169.7-49.5-54.4000112.5T261 E262 L263D259-T261 PolarHBondContact O-N 2.82Å; D259-E262 PolarHBondContact O-N 3.17Å; D259-L263 PolarHBondContact O-N 3.21Å
260L59.3Low74.9Confident102 Ų10297.7 Ų97.753%0.53452%0.521SS..Hα-helixtrans-60.5-29.6168.7-65.1-175.7000111.5A264L260-A264 WeakPolarHBondContact O-CB 3.44Å; L260-A264 PolarHBondContact O-N 2.92Å
261T72Confident75.1Confident53 Ų5397.3 Ų97.333%0.32552%0.518SS..Hα-helixtrans-69.5-36.8178.7-600000111.9S257 P258 D259 K265S257-T261 PolarHBondContact O-OG1 3.49Å; P258-T261 WeakPolarHBondContact O-CA 3.46Å; P258-T261 VanDerWaalsContact O-CB 3.23Å; P258-T261 WeakPolarHBondContact O-CB 3.4Å; P258-T261 PolarHBondContact O-N 3.15Å; P258-T261 VanDerWaalsContact O-N 3.11Å; D259-T261 PolarHBondContact O-N 2.82Å; T261-K265 HydrophobicContact CG2-CD 4.2Å; T261-K265 WeakPolarHBondContact O-CB 3.37Å; T261-K265 WeakPolarHBondContact O-CD 3.35Å; T261-K265 WeakPolarHBondContact O-CG 3.36Å; T261-K265 PolarHBondContact O-N 3.23Å
262E83.1Confident75.7Confident93 Ų9392.2 Ų92.244%0.43549%0.494SS..Hα-helixtrans-73.4-39.1173.9-72.6-50.3135.900113.1P258 D259 A264 K265 A266 R269P258-E262 PolarHBondContact O-N 3.07Å; D259-E262 PolarHBondContact O-N 3.17Å; E262-A264 VanDerWaalsContact C-N 3.33Å; E262-A264 PolarHBondContact O-N 2.94Å; E262-K265 PolarHBondContact O-N 3.45Å; E262-K265 WeakPolarHBondContact OE1-CD 3.4Å; E262-K265 WeakPolarHBondContact OE1-CE 3.37Å; E262-K265 IonicContact OE1-NZ 3.13Å; E262-K265 PolarHBondContact OE1-NZ 3.5Å; E262-K265 WeakPolarHBondContact OE2-CD 3.45Å; E262-A266 WeakPolarHBondContact O-CB 3.25Å; E262-A266 PolarHBondContact O-N 3.06Å; E262-R269 IonicContact OE2-NH2 2.8Å
263L85.9Confident76.7Confident126 Ų12693.5 Ų93.566%0.6651%0.51SS*.Hα-helixtrans-61-43.7173-169.276.3000111D259 A266 A267D259-L263 PolarHBondContact O-N 3.21Å; L263-A266 PolarHBondContact O-N 2.72Å; L263-A267 PolarHBondContact O-N 2.74Å
264A84.1Confident78.2Confident34 Ų3491.3 Ų91.328%0.28148%0.484SS..Hα-helixtrans-62.7-44.9174.500000112L260 E262 A266 A267 K268L260-A264 WeakPolarHBondContact O-CB 3.44Å; L260-A264 PolarHBondContact O-N 2.92Å; E262-A264 VanDerWaalsContact C-N 3.33Å; E262-A264 PolarHBondContact O-N 2.94Å; A264-A266 VanDerWaalsContact C-N 3.26Å; A264-A266 PolarHBondContact O-N 3.23Å; A264-A267 PolarHBondContact O-N 3.32Å; A264-K268 WeakPolarHBondContact O-CB 3.47Å; A264-K268 PolarHBondContact O-N 3.13Å
265K86.6Confident80.2Confident97 Ų9789.1 Ų89.142%0.42248%0.477SS..Hα-helixtrans-59.9-33.6173.5-76.2163.9178.41740112.8T261 E262 R269T261-K265 HydrophobicContact CG2-CD 4.2Å; T261-K265 WeakPolarHBondContact O-CB 3.37Å; T261-K265 WeakPolarHBondContact O-CD 3.35Å; T261-K265 WeakPolarHBondContact O-CG 3.36Å; T261-K265 PolarHBondContact O-N 3.23Å; E262-K265 PolarHBondContact O-N 3.45Å; E262-K265 WeakPolarHBondContact OE1-CD 3.4Å; E262-K265 WeakPolarHBondContact OE1-CE 3.37Å; E262-K265 IonicContact OE1-NZ 3.13Å; E262-K265 PolarHBondContact OE1-NZ 3.5Å; E262-K265 WeakPolarHBondContact OE2-CD 3.45Å; K265-R269 WeakPolarHBondContact O-CB 3.41Å; K265-R269 WeakPolarHBondContact O-CG 3.22Å; K265-R269 PolarHBondContact O-N 3.26Å; K265-R269 VanDerWaalsContact O-N 3.13Å; K265-R269 PolarHBondContact O-NE 2.99Å
266A90.9Very high82.2Confident43 Ų4388 Ų8836%0.35546%0.462SS..Hα-helixtrans-73.6-42.317600000111.7E262 L263 A264 R269 K270E262-A266 WeakPolarHBondContact O-CB 3.25Å; E262-A266 PolarHBondContact O-N 3.06Å; L263-A266 PolarHBondContact O-N 2.72Å; A264-A266 VanDerWaalsContact C-N 3.26Å; A264-A266 PolarHBondContact O-N 3.23Å; A266-R269 PolarHBondContact O-N 3.21Å; A266-K270 PolarHBondContact O-N 2.75Å
267A91.6Very high84.3Confident58 Ų5882.9 Ų82.948%0.47945%0.448SS..Hα-helixtrans-61.4-45.1173.200000111.8L263 A264 R269 K270 L271L263-A267 PolarHBondContact O-N 2.74Å; A264-A267 PolarHBondContact O-N 3.32Å; A267-R269 PolarHBondContact O-N 2.9Å; A267-K270 WeakPolarHBondContact O-CA 3.15Å; A267-K270 WeakPolarHBondContact O-CB 3.44Å; A267-K270 PolarHBondContact O-N 2.99Å; A267-K270 VanDerWaalsContact O-N 3.09Å; A267-L271 PolarHBondContact O-N 2.93Å
268K92.1Very high86.3Confident60 Ų6084.9 Ų84.926%0.26146%0.455SS..Hα-helixtrans-60-42.1175.5-166.3168.1-166.7144.50112.5A264 K270 L271 Q272 D349A264-K268 WeakPolarHBondContact O-CB 3.47Å; A264-K268 PolarHBondContact O-N 3.13Å; K268-K270 VanDerWaalsContact C-N 3.33Å; K268-K270 PolarHBondContact O-N 3.36Å; K268-L271 PolarHBondContact O-N 2.88Å; K268-Q272 WeakPolarHBondContact O-CB 3.28Å; K268-Q272 WeakPolarHBondContact O-CG 3.31Å; K268-Q272 PolarHBondContact O-N 2.91Å; K268-D349 WeakPolarHBondContact CB-OD2 3.35Å; K268-D349 VanDerWaalsContact CD-OD1 3.3Å; K268-D349 WeakPolarHBondContact CD-OD1 3.34Å; K268-D349 WeakPolarHBondContact CE-OD1 3.13Å; K268-D349 WeakPolarHBondContact CG-OD2 3.43Å; K268-D349 IonicContact NZ-OD1 2.6Å; K268-D349 PolarHBondContact NZ-OD1 3.47Å
269R93.5Very high88.3Confident146 Ų14680.9 Ų80.955%0.55143%0.428SS*.Hα-helixtrans-61.4-38.8173-81.4177.6-89.3-176.4-6.9112.1E262 K265 A266 A267 Q272 S273E262-R269 IonicContact OE2-NH2 2.8Å; K265-R269 WeakPolarHBondContact O-CB 3.41Å; K265-R269 WeakPolarHBondContact O-CG 3.22Å; K265-R269 PolarHBondContact O-N 3.26Å; K265-R269 VanDerWaalsContact O-N 3.13Å; K265-R269 PolarHBondContact O-NE 2.99Å; A266-R269 PolarHBondContact O-N 3.21Å; A267-R269 PolarHBondContact O-N 2.9Å; R269-Q272 PolarHBondContact O-N 3.31Å; R269-S273 PolarHBondContact O-N 3.42Å; R269-S273 VanDerWaalsContact O-N 3.11Å
270K95.4Very high90.3Very high157 Ų15779.4 Ų79.468%0.68342%0.417SS*.Hα-helixtrans-66.6-44.5173.4-70.6-176.2177.8-174.70112.3A266 A267 K268 Q272 S273A266-K270 PolarHBondContact O-N 2.75Å; A267-K270 WeakPolarHBondContact O-CA 3.15Å; A267-K270 WeakPolarHBondContact O-CB 3.44Å; A267-K270 PolarHBondContact O-N 2.99Å; A267-K270 VanDerWaalsContact O-N 3.09Å; K268-K270 VanDerWaalsContact C-N 3.33Å; K268-K270 PolarHBondContact O-N 3.36Å; K270-Q272 VanDerWaalsContact C-N 3.3Å; K270-Q272 PolarHBondContact O-N 2.91Å; K270-S273 PolarHBondContact O-N 3.4Å; K270-S273 VanDerWaalsContact O-N 3.15Å; K270-S273 PolarHBondContact O-OG 2.94Å
271L96Very high92.1Very high13 Ų1376.9 Ų76.97%0.06840%0.402CS..Hα-helixtrans-56.8-44173.4-177.869.9000111.8A267 K268 S273 L274 F279 L282 D349 I350 D353 R357A267-L271 PolarHBondContact O-N 2.93Å; K268-L271 PolarHBondContact O-N 2.88Å; L271-S273 VanDerWaalsContact C-N 3.29Å; L271-S273 PolarHBondContact O-N 2.77Å; L271-L274 HydrophobicContact CD1-CD1 4.17Å; L271-L274 WeakPolarHBondContact O-CB 3.29Å; L271-L274 WeakPolarHBondContact O-CG 3.49Å; L271-L274 PolarHBondContact O-N 3.17Å; L271-F279 HydrophobicContact CD1-CD2 3.92Å; L271-F279 HydrophobicContact CD1-CE2 4.09Å; L271-F279 HydrophobicContact CG-CD2 4.37Å; L271-F279 HydrophobicContact CG-CE2 4.38Å; L271-L282 HydrophobicContact CD1-CD2 3.56Å; L271-D349 HydrophobicContact CD2-CB 3.81Å; L271-I350 HydrophobicContact CD1-CG1 4.24Å; L271-I350 HydrophobicContact CD2-CG1 4.08Å; L271-D353 HydrophobicContact CD2-CB 4.26Å; L271-R357 PolarHBondContact O-NH2 3.44Å
272Q95.1Very high93.3Very high79 Ų7976.9 Ų76.937%0.36940%0.4SS..Hα-helixtrans-63.9-31.4178-75.6171.3-11.200113.2K268 R269 K270 L274 D353 R357K268-Q272 WeakPolarHBondContact O-CB 3.28Å; K268-Q272 WeakPolarHBondContact O-CG 3.31Å; K268-Q272 PolarHBondContact O-N 2.91Å; R269-Q272 PolarHBondContact O-N 3.31Å; K270-Q272 VanDerWaalsContact C-N 3.3Å; K270-Q272 PolarHBondContact O-N 2.91Å; Q272-L274 VanDerWaalsContact C-N 3.28Å; Q272-L274 PolarHBondContact O-N 2.72Å; Q272-D353 WeakPolarHBondContact CG-OD1 3.34Å; Q272-R357 PolarHBondContact O-NH2 2.77Å
273S96.1Very high94Very high96 Ų9672.7 Ų72.767%0.67138%0.381SS*.Hα-helixtrans-74.1-10.9177.569.60000114.9R269 K270 L271R269-S273 PolarHBondContact O-N 3.42Å; R269-S273 VanDerWaalsContact O-N 3.11Å; K270-S273 PolarHBondContact O-N 3.4Å; K270-S273 VanDerWaalsContact O-N 3.15Å; K270-S273 PolarHBondContact O-OG 2.94Å; L271-S273 VanDerWaalsContact C-N 3.29Å; L271-S273 PolarHBondContact O-N 2.77Å
274L96.4Very high94.6Very high51 Ų5170.6 Ų70.627%0.26737%0.369SS..SBendtrans-67.2143.6175.3-60.4-177.9000111.5L271 Q272 L278 F279 L282 R357L271-L274 HydrophobicContact CD1-CD1 4.17Å; L271-L274 WeakPolarHBondContact O-CB 3.29Å; L271-L274 WeakPolarHBondContact O-CG 3.49Å; L271-L274 PolarHBondContact O-N 3.17Å; Q272-L274 VanDerWaalsContact C-N 3.28Å; Q272-L274 PolarHBondContact O-N 2.72Å; L274-L278 HydrophobicContact CB-CB 4.32Å; L274-L278 HydrophobicContact CD2-CB 4.43Å; L274-F279 HydrophobicContact CB-CB 4.21Å; L274-L282 HydrophobicContact CD1-CD2 3.9Å; L274-R357 PolarHBondContact O-NH1 3.06Å; L274-R357 PolarHBondContact O-NH2 3.44Å
275S96.5Very high95.3Very high62 Ų6269.6 Ų69.643%0.43436%0.359SS..  trans-62160.4164.466.70000110.6H277 L278 F279S275-H277 VanDerWaalsContact C-N 3.32Å; S275-H277 PolarHBondContact O-N 3.24Å; S275-L278 PolarHBondContact O-N 2.93Å; S275-L278 WeakPolarHBondContact OG-CG 3.48Å; S275-L278 PolarHBondContact OG-N 3.49Å; S275-F279 VanDerWaalsContact O-CB 3.3Å; S275-F279 WeakPolarHBondContact O-CB 3.23Å; S275-F279 PolarHBondContact O-N 3.26Å
276N95.1Very high95.9Very high85 Ų8565 Ų6546%0.45534%0.339SS..Hα-helixtrans-56.8-46.2179.2-74.83.6000111.7L278 F279 E280 R357N276-L278 PolarHBondContact O-N 3.49Å; N276-F279 WeakPolarHBondContact O-CB 3.27Å; N276-F279 PolarHBondContact O-N 3.5Å; N276-E280 WeakPolarHBondContact CB-OE1 3.42Å; N276-E280 WeakPolarHBondContact O-CB 3.25Å; N276-E280 VanDerWaalsContact O-CG 3.24Å; N276-E280 WeakPolarHBondContact O-CG 3.43Å; N276-E280 PolarHBondContact O-N 2.86Å; N276-R357 PolarHBondContact OD1-NH1 3.32Å
277H95Very high96.2Very high116 Ų11664.2 Ų64.254%0.53733%0.327SS..Hα-helixtrans-55.5-51.8175.7175.637.8000113S275 F279 E280 E281S275-H277 VanDerWaalsContact C-N 3.32Å; S275-H277 PolarHBondContact O-N 3.24Å; H277-F279 VanDerWaalsContact C-N 3.28Å; H277-F279 PolarHBondContact O-N 3.04Å; H277-E280 PolarHBondContact O-N 3.18Å; H277-E281 IonicContact CE1-OE1 3.65Å; H277-E281 WeakPolarHBondContact O-CG 3.46Å; H277-E281 PolarHBondContact O-N 2.64Å
278L96.6Very high96.5Very high87 Ų8762.1 Ų62.146%0.45531%0.308SS..Hα-helixtrans-68.1-28.4179.5-67.7175.1000112.8L274 S275 N276 L282L274-L278 HydrophobicContact CB-CB 4.32Å; L274-L278 HydrophobicContact CD2-CB 4.43Å; S275-L278 PolarHBondContact O-N 2.93Å; S275-L278 WeakPolarHBondContact OG-CG 3.48Å; S275-L278 PolarHBondContact OG-N 3.49Å; N276-L278 PolarHBondContact O-N 3.49Å; L278-L282 PolarHBondContact O-N 3.46Å
279F97.9Very high96.8Very high10 Ų1059.3 Ų59.34%0.04430%0.295CS..Hα-helixtrans-69.9-43.8172.1170.7-96.8000111.8L271 L274 S275 N276 H277 L282 A283 I350 D353 A354L271-F279 HydrophobicContact CD1-CD2 3.92Å; L271-F279 HydrophobicContact CD1-CE2 4.09Å; L271-F279 HydrophobicContact CG-CD2 4.37Å; L271-F279 HydrophobicContact CG-CE2 4.38Å; L274-F279 HydrophobicContact CB-CB 4.21Å; S275-F279 VanDerWaalsContact O-CB 3.3Å; S275-F279 WeakPolarHBondContact O-CB 3.23Å; S275-F279 PolarHBondContact O-N 3.26Å; N276-F279 WeakPolarHBondContact O-CB 3.27Å; N276-F279 PolarHBondContact O-N 3.5Å; H277-F279 VanDerWaalsContact C-N 3.28Å; H277-F279 PolarHBondContact O-N 3.04Å; F279-L282 PolarHBondContact O-N 3.37Å; F279-A283 VanDerWaalsContact O-CB 3.3Å; F279-A283 WeakPolarHBondContact O-CB 3.47Å; F279-A283 PolarHBondContact O-N 3.4Å; F279-I350 HydrophobicContact CE2-CB 4.41Å; F279-I350 HydrophobicContact CE2-CG1 4.26Å; F279-I350 HydrophobicContact CE2-CG2 4.16Å; F279-I350 HydrophobicContact CZ-CG2 3.9Å; F279-I350 WeakPolarHBondContact CZ-O 3.37Å; F279-D353 HydrophobicContact CD2-CB 4.24Å; F279-D353 HydrophobicContact CE2-CB 3.48Å; F279-D353 VanDerWaalsContact CE2-CB 3.48Å; F279-D353 HydrophobicContact CZ-CB 3.75Å; F279-A354 HydrophobicContact CE1-CB 4.03Å; F279-A354 HydrophobicContact CZ-CB 4.01Å
280E96.6Very high97.1Very high99 Ų9952.3 Ų52.346%0.46327%0.269SS..Hα-helixtrans-62.6-41.3175-71.4149.1-15400111.2N276 H277 L282 A283 M284N276-E280 WeakPolarHBondContact CB-OE1 3.42Å; N276-E280 WeakPolarHBondContact O-CB 3.25Å; N276-E280 VanDerWaalsContact O-CG 3.24Å; N276-E280 WeakPolarHBondContact O-CG 3.43Å; N276-E280 PolarHBondContact O-N 2.86Å; H277-E280 PolarHBondContact O-N 3.18Å; E280-L282 PolarHBondContact O-N 2.67Å; E280-A283 PolarHBondContact O-N 3.13Å; E280-M284 WeakPolarHBondContact O-CG 3.43Å; E280-M284 PolarHBondContact O-N 3Å
281E97.1Very high97.1Very high50 Ų5045.5 Ų45.523%0.23424%0.24CC..Hα-helixtrans-56.9-47.2173.5-66.3-117.5109.200112.4H277 D285 R328H277-E281 IonicContact CE1-OE1 3.65Å; H277-E281 WeakPolarHBondContact O-CG 3.46Å; H277-E281 PolarHBondContact O-N 2.64Å; E281-D285 PolarHBondContact O-N 2.71Å; E281-R328 VanDerWaalsContact CD-CZ 3.49Å; E281-R328 PolarHBondContact O-NH2 3.31Å; E281-R328 IonicContact OE1-CZ 3.55Å; E281-R328 VanDerWaalsContact OE1-CZ 3.3Å; E281-R328 IonicContact OE1-NH1 3.68Å; E281-R328 PolarHBondContact OE1-NH1 3.03Å; E281-R328 IonicContact OE1-NH2 2.69Å; E281-R328 PolarHBondContact OE1-NH2 3.24Å; E281-R328 IonicContact OE2-CZ 2.7Å; E281-R328 IonicContact OE2-NH1 3.62Å; E281-R328 PolarHBondContact OE2-NH1 3.49Å; E281-R328 IonicContact OE2-NH2 3.31Å
282L98.2Very high97.2Very high53 Ų5346.2 Ų46.228%0.27724%0.242SC..Hα-helixtrans-69.4-37.9177176.860.2000112.1L271 L274 L278 F279 E280 M284 D285 V286L271-L282 HydrophobicContact CD1-CD2 3.56Å; L274-L282 HydrophobicContact CD1-CD2 3.9Å; L278-L282 PolarHBondContact O-N 3.46Å; F279-L282 PolarHBondContact O-N 3.37Å; E280-L282 PolarHBondContact O-N 2.67Å; L282-M284 VanDerWaalsContact C-N 3.34Å; L282-D285 PolarHBondContact O-N 2.99Å; L282-V286 HydrophobicContact CD1-CG2 4.3Å; L282-V286 WeakPolarHBondContact O-CG2 3.49Å; L282-V286 PolarHBondContact O-N 3.48Å
283A98.3Very high97.3Very high4 Ų444.5 Ų44.53%0.03323%0.232CC..Hα-helixtrans-65-37.817700000111.5L226 F279 E280 Y287 I350L226-A283 HydrophobicContact CD1-CB 4.21Å; L226-A283 HydrophobicContact CD2-CB 4.01Å; F279-A283 VanDerWaalsContact O-CB 3.3Å; F279-A283 WeakPolarHBondContact O-CB 3.47Å; F279-A283 PolarHBondContact O-N 3.4Å; E280-A283 PolarHBondContact O-N 3.13Å; A283-Y287 WeakPolarHBondContact O-CB 3.28Å; A283-Y287 PolarHBondContact O-N 3.41Å; A283-I350 HydrophobicContact CB-CG2 4.02Å
284M97.7Very high97.2Very high82 Ų8242 Ų4240%0.40421%0.21SC..Hα-helixtrans-66.4-41.4170.5-72.8-173.4-71.100112.3L226 E280 L282 V286 Y287 D288L226-M284 HydrophobicContact CD1-CG 4.03Å; E280-M284 WeakPolarHBondContact O-CG 3.43Å; E280-M284 PolarHBondContact O-N 3Å; L282-M284 VanDerWaalsContact C-N 3.34Å; M284-V286 VanDerWaalsContact C-N 3.3Å; M284-V286 PolarHBondContact O-N 2.9Å; M284-Y287 PolarHBondContact O-N 3.42Å; M284-D288 PolarHBondContact O-N 3.35Å
285D98.4Very high97.1Very high14 Ų1440.2 Ų40.28%0.07520%0.201CC..Hα-helixtrans-65.1-32.9177.7-74.3-16000112.2E281 L282 E289 R328 R332 L335E281-D285 PolarHBondContact O-N 2.71Å; L282-D285 PolarHBondContact O-N 2.99Å; D285-E289 PolarHBondContact O-N 3.18Å; D285-R328 IonicContact OD1-CZ 3.37Å; D285-R328 IonicContact OD1-NE 2.66Å; D285-R328 PolarHBondContact OD1-NE 3.47Å; D285-R328 IonicContact OD1-NH2 2.92Å; D285-R328 WeakPolarHBondContact OD2-CG 3.23Å; D285-R328 IonicContact OD2-CZ 3.49Å; D285-R328 IonicContact OD2-NE 2.75Å; D285-R328 PolarHBondContact OD2-NE 3.25Å; D285-R328 IonicContact OD2-NH2 3.27Å; D285-R332 HydrophobicContact CB-CG 3.76Å; D285-R332 VanDerWaalsContact OD1-CD 3.25Å; D285-R332 WeakPolarHBondContact OD1-CD 3.46Å; D285-R332 WeakPolarHBondContact OD1-CG 3.22Å; D285-R332 IonicContact OD1-CZ 2.76Å; D285-R332 IonicContact OD1-NE 3.51Å; D285-R332 IonicContact OD1-NH1 3.16Å; D285-R332 PolarHBondContact OD1-NH1 2.95Å; D285-R332 WeakPolarHBondContact OD2-CG 3.39Å; D285-L335 HydrophobicContact CB-CD1 4.43Å; D285-L335 WeakPolarHBondContact O-CD1 3.29Å
286V98.6Very high97Very high0 Ų038.9 Ų38.90%019%0.189CC..Hα-helixtrans-78.4-35.7172.81750000112.7L230 L282 M284 D288 E289 V290 L335 F343 L346 V347 I350L230-V286 HydrophobicContact CD2-CG1 4.07Å; L282-V286 HydrophobicContact CD1-CG2 4.3Å; L282-V286 WeakPolarHBondContact O-CG2 3.49Å; L282-V286 PolarHBondContact O-N 3.48Å; M284-V286 VanDerWaalsContact C-N 3.3Å; M284-V286 PolarHBondContact O-N 2.9Å; V286-D288 VanDerWaalsContact C-N 3.3Å; V286-D288 PolarHBondContact O-N 3.45Å; V286-E289 PolarHBondContact O-N 2.95Å; V286-V290 PolarHBondContact O-N 2.9Å; V286-L335 HydrophobicContact CG2-CD1 3.96Å; V286-L335 HydrophobicContact CG2-CD2 4.16Å; V286-F343 HydrophobicContact CG1-CE2 4.13Å; V286-F343 HydrophobicContact CG1-CZ 4.08Å; V286-L346 HydrophobicContact CG2-CD2 3.83Å; V286-L346 HydrophobicContact CG2-CG 4.33Å; V286-V347 HydrophobicContact CG1-CG2 3.75Å; V286-I350 HydrophobicContact CB-CD1 3.97Å; V286-I350 HydrophobicContact CG1-CD1 4.13Å; V286-I350 HydrophobicContact CG2-CD1 3.7Å
287Y98.5Very high96.9Very high27 Ų2737.7 Ų37.711%0.10619%0.191CC..Hα-helixtrans-59.3-41.9170.9177.2-81.9000111.5L226 R229 A283 M284 E289 V290 D291L226-Y287 HydrophobicContact CB-CD2 4.22Å; L226-Y287 HydrophobicContact CG-CD2 3.91Å; L226-Y287 HydrophobicContact CG-CG 4.27Å; R229-Y287 HydrophobicContact CB-CD2 4.14Å; R229-Y287 HydrophobicContact CB-CE2 3.66Å; R229-Y287 HydrophobicContact CG-CE2 4.12Å; R229-Y287 PolarHBondContact NH1-OH 3.16Å; R229-Y287 VanDerWaalsContact NH1-OH 3.11Å; A283-Y287 WeakPolarHBondContact O-CB 3.28Å; A283-Y287 PolarHBondContact O-N 3.41Å; M284-Y287 PolarHBondContact O-N 3.42Å; Y287-E289 VanDerWaalsContact C-N 3.34Å; Y287-E289 PolarHBondContact O-N 3.21Å; Y287-V290 PolarHBondContact O-N 3.25Å; Y287-D291 PolarHBondContact O-N 2.83Å
288D98.3Very high96.9Very high14 Ų1433.2 Ų33.28%0.07517%0.172CC..Hα-helixtrans-60.7-40.8175.4-85.516.3000112R43 M284 V286 D291 R292 L318 R332R43-D288 WeakPolarHBondContact CD-OD1 3.33Å; R43-D288 IonicContact CZ-OD1 2.76Å; R43-D288 IonicContact NE-OD1 2.74Å; R43-D288 IonicContact NH1-OD1 2.79Å; R43-D288 PolarHBondContact NH1-OD1 3.18Å; M284-D288 PolarHBondContact O-N 3.35Å; V286-D288 VanDerWaalsContact C-N 3.3Å; V286-D288 PolarHBondContact O-N 3.45Å; D288-D291 PolarHBondContact O-N 3.35Å; D288-R292 WeakPolarHBondContact O-CB 3.44Å; D288-R292 PolarHBondContact O-N 2.8Å; D288-L318 HydrophobicContact CB-CD1 3.85Å; D288-L318 HydrophobicContact CB-CD2 3.91Å; D288-R332 IonicContact OD2-CZ 2.84Å; D288-R332 IonicContact OD2-NH1 3.5Å; D288-R332 PolarHBondContact OD2-NH1 3.4Å; D288-R332 IonicContact OD2-NH2 3.99Å; D288-R332 PolarHBondContact OD2-NH2 3.1Å
289E98.3Very high96.6Very high0 Ų029.5 Ų29.50%015%0.152CC..Hα-helixtrans-70.7-33.1176.6177.961.8-167.900112.2D285 V286 Y287 R292 R293 L318 L335 A336 F343D285-E289 PolarHBondContact O-N 3.18Å; V286-E289 PolarHBondContact O-N 2.95Å; Y287-E289 VanDerWaalsContact C-N 3.34Å; Y287-E289 PolarHBondContact O-N 3.21Å; E289-R292 PolarHBondContact O-N 2.89Å; E289-R292 IonicContact OE1-CZ 3.56Å; E289-R292 IonicContact OE1-NE 3.4Å; E289-R292 PolarHBondContact OE1-NE 3.15Å; E289-R292 IonicContact OE1-NH2 2.72Å; E289-R292 PolarHBondContact OE1-NH2 3.03Å; E289-R292 IonicContact OE2-CZ 2.7Å; E289-R292 IonicContact OE2-NE 3.36Å; E289-R292 PolarHBondContact OE2-NE 3.36Å; E289-R292 IonicContact OE2-NH2 3.69Å; E289-R293 HydrophobicContact CG-CG 4.44Å; E289-R293 WeakPolarHBondContact O-CB 3.47Å; E289-R293 VanDerWaalsContact O-CG 3.29Å; E289-R293 WeakPolarHBondContact O-CG 3.22Å; E289-R293 PolarHBondContact O-N 2.7Å; E289-R293 WeakPolarHBondContact OE1-CG 3.44Å; E289-R293 IonicContact OE1-CZ 3.34Å; E289-R293 IonicContact OE1-NE 3.01Å; E289-R293 PolarHBondContact OE1-NE 3.47Å; E289-R293 IonicContact OE1-NH2 3.09Å; E289-R293 PolarHBondContact OE1-NH2 2.99Å; E289-L318 HydrophobicContact CB-CD1 4.19Å; E289-L335 HydrophobicContact CB-CB 4.07Å; E289-L335 HydrophobicContact CB-CD1 4.12Å; E289-L335 HydrophobicContact CG-CB 3.86Å; E289-A336 WeakPolarHBondContact OE1-CA 3.32Å; E289-F343 HydrophobicContact CB-CE2 4.11Å; E289-F343 HydrophobicContact CB-CZ 3.98Å; E289-F343 HydrophobicContact CG-CE2 3.6Å; E289-F343 HydrophobicContact CG-CZ 3.59Å
290V98Very high96.2Very high0 Ų034.5 Ų34.50%018%0.178CC..Hα-helixtrans-62.6-47.9168.5165.80000110.7R229 L230 Y233 V286 Y287 R292 R293 E294 F343R229-V290 HydrophobicContact CG-CG1 4.05Å; L230-V290 HydrophobicContact CD2-CB 4.38Å; L230-V290 HydrophobicContact CD2-CG2 3.71Å; Y233-V290 HydrophobicContact CD1-CG2 3.97Å; Y233-V290 HydrophobicContact CD2-CG1 3.86Å; Y233-V290 HydrophobicContact CD2-CG2 4.33Å; Y233-V290 HydrophobicContact CE1-CG2 4.41Å; Y233-V290 HydrophobicContact CG-CG1 3.87Å; Y233-V290 HydrophobicContact CG-CG2 3.93Å; V286-V290 PolarHBondContact O-N 2.9Å; Y287-V290 PolarHBondContact O-N 3.25Å; V290-R292 VanDerWaalsContact C-N 3.26Å; V290-R292 PolarHBondContact O-N 2.67Å; V290-R293 PolarHBondContact O-N 2.9Å; V290-E294 HydrophobicContact CG1-CG 4.27Å; V290-E294 WeakPolarHBondContact O-CB 3.31Å; V290-E294 WeakPolarHBondContact O-CG 3.42Å; V290-E294 PolarHBondContact O-N 3.09Å; V290-F343 HydrophobicContact CG2-CE1 3.73Å; V290-F343 HydrophobicContact CG2-CZ 3.86Å
291D96.9Very high96Very high14 Ų1433.2 Ų33.28%0.07518%0.184CC..Hα-helixtrans-57.2-39.9176-173.362.7000111.8R43 R229 Y287 D288 T295R43-D291 WeakPolarHBondContact CD-OD2 3.45Å; R43-D291 IonicContact CZ-OD2 3.74Å; R43-D291 IonicContact NE-OD2 3.97Å; R43-D291 PolarHBondContact NE-OD2 3.26Å; R229-D291 IonicContact CZ-OD1 3.6Å; R229-D291 IonicContact NH1-OD1 3.73Å; R229-D291 PolarHBondContact NH1-OD1 3.34Å; R229-D291 IonicContact NH2-OD1 2.65Å; R229-D291 PolarHBondContact NH2-OD1 3.49Å; Y287-D291 PolarHBondContact O-N 2.83Å; D288-D291 PolarHBondContact O-N 3.35Å; D291-T295 WeakPolarHBondContact O-CB 3.48Å; D291-T295 PolarHBondContact O-N 3.2Å; D291-T295 PolarHBondContact O-OG1 3.42Å
292R97.2Very high95.6Very high28 Ų2831.4 Ų31.411%0.10618%0.177CC..Hα-helixtrans-65.2-51.1174.4-162.5-16768.267.416.4112D288 E289 V290 E294 T295 D296 V315 L318D288-R292 WeakPolarHBondContact O-CB 3.44Å; D288-R292 PolarHBondContact O-N 2.8Å; E289-R292 PolarHBondContact O-N 2.89Å; E289-R292 IonicContact OE1-CZ 3.56Å; E289-R292 IonicContact OE1-NE 3.4Å; E289-R292 PolarHBondContact OE1-NE 3.15Å; E289-R292 IonicContact OE1-NH2 2.72Å; E289-R292 PolarHBondContact OE1-NH2 3.03Å; E289-R292 IonicContact OE2-CZ 2.7Å; E289-R292 IonicContact OE2-NE 3.36Å; E289-R292 PolarHBondContact OE2-NE 3.36Å; E289-R292 IonicContact OE2-NH2 3.69Å; V290-R292 VanDerWaalsContact C-N 3.26Å; V290-R292 PolarHBondContact O-N 2.67Å; R292-E294 PolarHBondContact O-N 3.36Å; R292-T295 PolarHBondContact O-N 2.89Å; R292-D296 IonicContact CZ-OD2 3.87Å; R292-D296 IonicContact NH1-OD2 2.7Å; R292-D296 PolarHBondContact NH1-OD2 2.83Å; R292-D296 WeakPolarHBondContact O-CB 3.43Å; R292-D296 PolarHBondContact O-N 3.14Å; R292-V315 PolarHBondContact NH1-O 2.87Å; R292-L318 HydrophobicContact CB-CD2 4.06Å; R292-L318 HydrophobicContact CG-CD2 4.46Å
293R96.8Very high94.9Very high42 Ų4229.9 Ų29.916%0.15817%0.168CC..Hα-helixtrans-63.1-40.5-178.8-72.6177.6-176.3-141.9-1.1112.4Y233 E289 V290 A297 L335 F338Y233-R293 HydrophobicContact CE2-CB 4.2Å; Y233-R293 WeakPolarHBondContact OH-CD 3.22Å; E289-R293 HydrophobicContact CG-CG 4.44Å; E289-R293 WeakPolarHBondContact O-CB 3.47Å; E289-R293 VanDerWaalsContact O-CG 3.29Å; E289-R293 WeakPolarHBondContact O-CG 3.22Å; E289-R293 PolarHBondContact O-N 2.7Å; E289-R293 WeakPolarHBondContact OE1-CG 3.44Å; E289-R293 IonicContact OE1-CZ 3.34Å; E289-R293 IonicContact OE1-NE 3.01Å; E289-R293 PolarHBondContact OE1-NE 3.47Å; E289-R293 IonicContact OE1-NH2 3.09Å; E289-R293 PolarHBondContact OE1-NH2 2.99Å; V290-R293 PolarHBondContact O-N 2.9Å; R293-A297 PolarHBondContact O-N 3.05Å; R293-A297 VanDerWaalsContact O-N 3.17Å; R293-L335 PolarHBondContact NH2-O 2.88Å; R293-F338 PolarHBondContact NH1-O 2.71Å; R293-F338 PolarHBondContact NH2-O 2.76Å
294E95.3Very high93.8Very high44 Ų4435.8 Ų35.821%0.20620%0.199CC..Hα-helixtrans-66.4-44173.5-70.7-178.6154.300111.7R229 Y233 V290 R292 D296 A297 V298R229-E294 IonicContact CZ-OE2 2.67Å; R229-E294 IonicContact NE-OE2 3.25Å; R229-E294 PolarHBondContact NE-OE2 3.37Å; R229-E294 IonicContact NH2-OE2 2.76Å; R229-E294 PolarHBondContact NH2-OE2 3Å; Y233-E294 HydrophobicContact CD2-CG 4Å; V290-E294 HydrophobicContact CG1-CG 4.27Å; V290-E294 WeakPolarHBondContact O-CB 3.31Å; V290-E294 WeakPolarHBondContact O-CG 3.42Å; V290-E294 PolarHBondContact O-N 3.09Å; R292-E294 PolarHBondContact O-N 3.36Å; E294-D296 VanDerWaalsContact C-N 3.33Å; E294-D296 PolarHBondContact O-N 3.46Å; E294-A297 PolarHBondContact O-N 3.45Å; E294-V298 WeakPolarHBondContact O-CG2 3.35Å; E294-V298 PolarHBondContact O-N 3.21Å
295T94.9Very high92.4Very high13 Ų1339.8 Ų39.88%0.0822%0.217CC..Hα-helixtrans-64.6-36.5178.3-61.90000112W21 R39 D291 R292 V298 W299W21-T295 HydrophobicContact CH2-CG2 4.42Å; W21-T295 HydrophobicContact CZ3-CG2 4.14Å; R39-T295 HydrophobicContact CG-CG2 4.02Å; D291-T295 WeakPolarHBondContact O-CB 3.48Å; D291-T295 PolarHBondContact O-N 3.2Å; D291-T295 PolarHBondContact O-OG1 3.42Å; R292-T295 PolarHBondContact O-N 2.89Å; T295-V298 PolarHBondContact O-N 3.26Å; T295-W299 VanDerWaalsContact O-CB 3.27Å; T295-W299 WeakPolarHBondContact O-CB 3.35Å; T295-W299 PolarHBondContact O-N 2.76Å
296D93.3Very high90.8Very high34 Ų3444.4 Ų44.418%0.18225%0.25CS..Hα-helixtrans-64.5-42.8173.8-77.2-2000111.9R39 R292 E294 W299 L300R39-D296 IonicContact CZ-OD1 2.74Å; R39-D296 IonicContact NE-OD1 2.75Å; R39-D296 IonicContact NH2-OD1 3.37Å; R39-D296 PolarHBondContact NH2-OD1 3.31Å; R292-D296 IonicContact CZ-OD2 3.87Å; R292-D296 IonicContact NH1-OD2 2.7Å; R292-D296 PolarHBondContact NH1-OD2 2.83Å; R292-D296 WeakPolarHBondContact O-CB 3.43Å; R292-D296 PolarHBondContact O-N 3.14Å; E294-D296 VanDerWaalsContact C-N 3.33Å; E294-D296 PolarHBondContact O-N 3.46Å; D296-W299 WeakPolarHBondContact O-CB 3.5Å; D296-W299 PolarHBondContact O-N 2.7Å; D296-L300 WeakPolarHBondContact O-CB 3.35Å; D296-L300 WeakPolarHBondContact O-CG 3.27Å; D296-L300 PolarHBondContact O-N 2.66Å
297A93.1Very high89.3Confident60 Ų6046.6 Ų46.650%0.49626%0.264SS..Hα-helixtrans-63.1-42.6175.300000111.8R293 E294 A301R293-A297 PolarHBondContact O-N 3.05Å; R293-A297 VanDerWaalsContact O-N 3.17Å; E294-A297 PolarHBondContact O-N 3.45Å; A297-A301 WeakPolarHBondContact O-CB 3.16Å; A297-A301 PolarHBondContact O-N 2.71Å
298V94.1Very high87.7Confident23 Ų2347.5 Ų47.514%0.13927%0.27CS..Hα-helixtrans-65.4-39.5174.11740000111.4W21 H50 H53 E294 T295 A301 T302W21-V298 HydrophobicContact CH2-CB 4.37Å; W21-V298 HydrophobicContact CH2-CG1 3.73Å; W21-V298 HydrophobicContact CZ2-CG1 4.33Å; W21-V298 HydrophobicContact CZ3-CG1 4.3Å; H50-V298 HydrophobicContact CB-CG1 3.67Å; H53-V298 HydrophobicContact CB-CG1 3.72Å; E294-V298 WeakPolarHBondContact O-CG2 3.35Å; E294-V298 PolarHBondContact O-N 3.21Å; T295-V298 PolarHBondContact O-N 3.26Å; V298-A301 PolarHBondContact O-N 2.8Å; V298-T302 HydrophobicContact CG1-CG2 4.18Å; V298-T302 WeakPolarHBondContact O-CB 3.33Å; V298-T302 VanDerWaalsContact O-CG2 3.23Å; V298-T302 WeakPolarHBondContact O-CG2 3.49Å; V298-T302 PolarHBondContact O-N 2.84Å; V298-T302 VanDerWaalsContact O-N 3.11Å; V298-T302 PolarHBondContact O-OG1 2.63Å
299W91.6Very high85.8Confident9 Ų952.8 Ų52.83%0.03430%0.303CS..Hα-helixtrans-60.4-51.1175.9-176.5-101.3000111.1W21 D32 C35 T295 D296 A301 T302 Q303 T307W21-W299 HydrophobicContact CH2-CE3 4.19Å; W21-W299 AromaticContact CZ2-CE3 3.67Å; W21-W299 HydrophobicContact CZ2-CE3 3.67Å; W21-W299 HydrophobicContact CZ2-CZ3 4.22Å; D32-W299 HydrophobicContact CB-CH2 4.39Å; D32-W299 HydrophobicContact CB-CZ3 4.33Å; D32-W299 VanDerWaalsContact O-CH2 3.27Å; D32-W299 WeakPolarHBondContact O-CH2 3.43Å; D32-W299 WeakPolarHBondContact O-CZ3 3.4Å; C35-W299 HydrophobicContact CB-CZ3 4.23Å; T295-W299 VanDerWaalsContact O-CB 3.27Å; T295-W299 WeakPolarHBondContact O-CB 3.35Å; T295-W299 PolarHBondContact O-N 2.76Å; D296-W299 WeakPolarHBondContact O-CB 3.5Å; D296-W299 PolarHBondContact O-N 2.7Å; W299-A301 VanDerWaalsContact C-N 3.26Å; W299-A301 PolarHBondContact O-N 2.65Å; W299-T302 PolarHBondContact O-N 3.43Å; W299-T302 VanDerWaalsContact O-N 3.14Å; W299-T302 PolarHBondContact O-OG1 3.47Å; W299-Q303 HydrophobicContact CD2-CG 3.64Å; W299-Q303 VanDerWaalsContact CE2-CG 3.43Å; W299-Q303 HydrophobicContact CE3-CG 4.04Å; W299-Q303 HydrophobicContact CG-CG 4.09Å; W299-Q303 HydrophobicContact CH2-CG 3.99Å; W299-Q303 HydrophobicContact CZ2-CG 3.64Å; W299-Q303 HydrophobicContact CZ3-CG 4.2Å; W299-Q303 WeakPolarHBondContact O-CG 3.36Å; W299-Q303 PolarHBondContact O-N 2.92Å; W299-T307 HydrophobicContact CZ2-CG2 4.32Å
300L90.2Very high84.1Confident114 Ų11454.9 Ų54.960%0.59732%0.317SS*.Hα-helixtrans-59.4-34.5176.3-70.6167.1000112.9D296 L308D296-L300 WeakPolarHBondContact O-CB 3.35Å; D296-L300 WeakPolarHBondContact O-CG 3.27Å; D296-L300 PolarHBondContact O-N 2.66Å; L300-L308 HydrophobicContact CD2-CD1 4.11Å; L300-L308 HydrophobicContact CD2-CD2 4Å
301A90.9Very high82.2Confident72 Ų7263.4 Ų63.460%0.59536%0.357SS*.Hα-helixtrans-80.7-10.8178.600000115A297 V298 W299A297-A301 WeakPolarHBondContact O-CB 3.16Å; A297-A301 PolarHBondContact O-N 2.71Å; V298-A301 PolarHBondContact O-N 2.8Å; W299-A301 VanDerWaalsContact C-N 3.26Å; W299-A301 PolarHBondContact O-N 2.65Å
302T89.6Confident80.6Confident13 Ų1367 Ų678%0.0838%0.379CS..Hα-helixtrans-122.7-14.4-171.656.30000114.8R20 H53 V298 W299R20-T302 PolarHBondContact NH2-O 3.28Å; H53-T302 HydrophobicContact CB-CG2 4.04Å; H53-T302 VanDerWaalsContact CD2-CG2 3.48Å; H53-T302 WeakPolarHBondContact CD2-CG2 3.24Å; V298-T302 HydrophobicContact CG1-CG2 4.18Å; V298-T302 WeakPolarHBondContact O-CB 3.33Å; V298-T302 VanDerWaalsContact O-CG2 3.23Å; V298-T302 WeakPolarHBondContact O-CG2 3.49Å; V298-T302 PolarHBondContact O-N 2.84Å; V298-T302 VanDerWaalsContact O-N 3.11Å; V298-T302 PolarHBondContact O-OG1 2.63Å; W299-T302 PolarHBondContact O-N 3.43Å; W299-T302 VanDerWaalsContact O-N 3.14Å; W299-T302 PolarHBondContact O-OG1 3.47Å
303Q83.1Confident79.3Confident21 Ų2165.7 Ų65.710%0.09838%0.375CS..SBendtrans-90.3146.1175.3-64.6-37.8-68.100112.8D32 W299 T307 L308D32-Q303 PolarHBondContact OD1-NE2 3.31Å; W299-Q303 HydrophobicContact CD2-CG 3.64Å; W299-Q303 VanDerWaalsContact CE2-CG 3.43Å; W299-Q303 HydrophobicContact CE3-CG 4.04Å; W299-Q303 HydrophobicContact CG-CG 4.09Å; W299-Q303 HydrophobicContact CH2-CG 3.99Å; W299-Q303 HydrophobicContact CZ2-CG 3.64Å; W299-Q303 HydrophobicContact CZ3-CG 4.2Å; W299-Q303 WeakPolarHBondContact O-CG 3.36Å; W299-Q303 PolarHBondContact O-N 2.92Å; Q303-T307 HydrophobicContact CG-CG2 4.45Å; Q303-L308 HydrophobicContact CB-CD1 4.33Å; Q303-L308 HydrophobicContact CB-CD2 3.68Å; Q303-L308 HydrophobicContact CB-CG 3.79Å; Q303-L308 HydrophobicContact CG-CD2 4.03Å
304N76.1Confident78.4Confident128 Ų12867.9 Ų67.968%0.68439%0.393SS*.  trans-68.8147.3167.3-64.4-35.9000110.3S306 T307 L308N304-S306 PolarHBondContact O-N 3.45Å; N304-T307 WeakPolarHBondContact O-CB 3.34Å; N304-T307 PolarHBondContact O-N 3.46Å; N304-L308 PolarHBondContact O-N 3.47Å
305H66.6Low77.9Confident165 Ų16566.5 Ų66.576%0.76439%0.387SS*.Hα-helixtrans-50.6-35.9180-67.7-70000113.9T307 L308 V309H305-T307 VanDerWaalsContact C-N 3.26Å; H305-T307 PolarHBondContact O-N 2.9Å; H305-L308 PolarHBondContact O-N 3.25Å; H305-V309 WeakPolarHBondContact O-CG2 3.48Å; H305-V309 PolarHBondContact O-N 3.29Å
306S66.3Low77.7Confident112 Ų11269.4 Ų69.478%0.78341%0.406SS*.Hα-helixtrans-64.2-24.8178.1-170.20000114.4N304N304-S306 PolarHBondContact O-N 3.45Å
307T66.4Low77.8Confident46 Ų4672.4 Ų72.428%0.28242%0.418SS..Hα-helixtrans-81-40.8177.3-48.60000110.6W299 Q303 N304 H305 V309 S310W299-T307 HydrophobicContact CZ2-CG2 4.32Å; Q303-T307 HydrophobicContact CG-CG2 4.45Å; N304-T307 WeakPolarHBondContact O-CB 3.34Å; N304-T307 PolarHBondContact O-N 3.46Å; H305-T307 VanDerWaalsContact C-N 3.26Å; H305-T307 PolarHBondContact O-N 2.9Å; T307-V309 PolarHBondContact O-N 3.49Å; T307-S310 PolarHBondContact O-N 3.19Å; T307-S310 PolarHBondContact O-OG 3.15Å
308L65.6Low78Confident46 Ų4669.8 Ų69.824%0.24140%0.396CS..Hα-helixtrans-66.5-20.2-174.9-66.4177.6000114.3L300 Q303 N304 H305 S310L300-L308 HydrophobicContact CD2-CD1 4.11Å; L300-L308 HydrophobicContact CD2-CD2 4Å; Q303-L308 HydrophobicContact CB-CD1 4.33Å; Q303-L308 HydrophobicContact CB-CD2 3.68Å; Q303-L308 HydrophobicContact CB-CG 3.79Å; Q303-L308 HydrophobicContact CG-CD2 4.03Å; N304-L308 PolarHBondContact O-N 3.47Å; H305-L308 PolarHBondContact O-N 3.25Å; L308-S310 VanDerWaalsContact C-N 3.29Å
309V57.4Low78.1Confident125 Ų12569.8 Ų69.876%0.75840%0.396SS*.THydrogen-bonded Turntrans-79.4-9177.8176.10000112.4H305 T307H305-V309 WeakPolarHBondContact O-CG2 3.48Å; H305-V309 PolarHBondContact O-N 3.29Å; T307-V309 PolarHBondContact O-N 3.49Å
310S63.6Low78.3Confident44 Ų4473.3 Ų73.331%0.30842%0.419SS..  trans-89.1111177.865.90000112.6T307 L308 T312 T313T307-S310 PolarHBondContact O-N 3.19Å; T307-S310 PolarHBondContact O-OG 3.15Å; L308-S310 VanDerWaalsContact C-N 3.29Å; S310-T312 PolarHBondContact O-N 2.99Å; S310-T313 PolarHBondContact O-N 3.03Å; S310-T313 VanDerWaalsContact O-N 3.1Å; S310-T313 PolarHBondContact O-OG1 2.81Å; S310-T313 WeakPolarHBondContact OG-CG2 3.47Å
311E57.8Low78.5Confident178 Ų17868.3 Ų68.383%0.83239%0.392SS*.G310 helixtrans-51.7-33.4-178.2-61.9-176150.600113.1T313 V314E311-T313 PolarHBondContact O-N 2.91Å; E311-V314 PolarHBondContact O-N 3.45Å
312T62.1Low78.5Confident89 Ų8968.8 Ų68.855%0.54639%0.389SS..G310 helixtrans-65.2-6.1-17864.20000114.8H100 S310H100-T312 PolarHBondContact CD2-OG1 3.24Å; H100-T312 WeakPolarHBondContact NE2-CB 3.22Å; H100-T312 PolarHBondContact NE2-OG1 3.09Å; S310-T312 PolarHBondContact O-N 2.99Å
313T70.5Confident78.5Confident2 Ų275.5 Ų75.51%0.01242%0.42CS..G310 helixtrans-106.9-1.7179.166.30000114.3R39 L99 S310 E311R39-T313 PolarHBondContact NH1-O 2.8Å; L99-T313 HydrophobicContact CD2-CG2 4.02Å; S310-T313 PolarHBondContact O-N 3.03Å; S310-T313 VanDerWaalsContact O-N 3.1Å; S310-T313 PolarHBondContact O-OG1 2.81Å; S310-T313 WeakPolarHBondContact OG-CG2 3.47Å; E311-T313 PolarHBondContact O-N 2.91Å
314V77.5Confident79Confident87 Ų8777.7 Ų77.753%0.52743%0.428SS..  trans-89.1134-178.7-1720000110.1E311 P316E311-V314 PolarHBondContact O-N 3.45Å; V314-P316 HydrophobicContact CG1-CB 4.45Å; V314-P316 WeakPolarHBondContact O-CD 3.25Å
315V85.1Confident79.8Confident15 Ų1573.6 Ų73.69%0.09141%0.409CS..  trans-12176.3177.5-175.80000108.1R39 R292 F317 P319R39-V315 HydrophobicContact CB-CG2 3.97Å; R292-V315 PolarHBondContact NH1-O 2.87Å; V315-F317 WeakPolarHBondContact CG1-O 3.36Å; V315-F317 PolarHBondContact O-N 3.07Å; V315-P319 HydrophobicContact CG1-CG 3.87Å
316P90.1Very high80.9Confident75 Ų7570 Ų7049%0.48740%0.403SS..  trans-70.9-14.5-164.129.2-36.2000114.2V314 A336V314-P316 HydrophobicContact CG1-CB 4.45Å; V314-P316 WeakPolarHBondContact O-CD 3.25Å; P316-A336 WeakPolarHBondContact O-CB 3.46Å
317F96Very high82.2Confident96 Ų9669.1 Ų69.142%0.42139%0.393SS..SBendtrans-151.1168.7176.347.5-109.8000109.6V315 P319 Q333 A336V315-F317 WeakPolarHBondContact CG1-O 3.36Å; V315-F317 PolarHBondContact O-N 3.07Å; F317-P319 WeakPolarHBondContact O-CD 3.48Å; F317-Q333 HydrophobicContact CB-CB 4.38Å; F317-Q333 HydrophobicContact CB-CG 4.32Å; F317-Q333 HydrophobicContact CD2-CB 4.44Å; F317-Q333 HydrophobicContact CD2-CG 3.75Å; F317-Q333 HydrophobicContact CE2-CG 4.43Å; F317-Q333 HydrophobicContact CG-CB 4.48Å; F317-Q333 HydrophobicContact CG-CG 4.23Å; F317-A336 HydrophobicContact CB-CB 3.64Å
318L97.1Very high83.7Confident6 Ų668.6 Ų68.63%0.03139%0.385CS..PPolyproline II helixtrans-58.2127179.9-73173.2000112.5D288 E289 R292 R332 Q333D288-L318 HydrophobicContact CB-CD1 3.85Å; D288-L318 HydrophobicContact CB-CD2 3.91Å; E289-L318 HydrophobicContact CB-CD1 4.19Å; R292-L318 HydrophobicContact CB-CD2 4.06Å; R292-L318 HydrophobicContact CG-CD2 4.46Å; L318-R332 HydrophobicContact CB-CB 4.32Å; L318-R332 HydrophobicContact CD1-CB 3.86Å; L318-R332 HydrophobicContact CD1-CG 4.36Å; L318-Q333 VanDerWaalsContact O-CG 3.26Å; L318-Q333 WeakPolarHBondContact O-CG 3.29Å; L318-Q333 PolarHBondContact O-NE2 2.82Å; L318-Q333 VanDerWaalsContact O-NE2 3.09Å
319P96.4Very high85.1Confident22 Ų2266.9 Ų66.914%0.14338%0.377CS..PPolyproline II helixtrans-57.7148173.5-26.535.4000112.5R39 V315 F317 N321R39-P319 WeakPolarHBondContact O-CG 3.38Å; V315-P319 HydrophobicContact CG1-CG 3.87Å; F317-P319 WeakPolarHBondContact O-CD 3.48Å; P319-N321 PolarHBondContact O-N 3.28Å
320V95.7Very high87Confident84 Ų8466 Ų6651%0.50936%0.364SS..PPolyproline II helixtrans-63.8127.8177.7178.60000109.7H44 N329H44-V320 PolarHBondContact CE1-O 3.42Å; V320-N329 WeakPolarHBondContact CA-OD1 3.28Å
321N95.1Very high88.6Confident9 Ų965.6 Ų65.65%0.04837%0.366CS..PPolyproline II helixtrans-91.5119.1165.6-17912.4000108.9H44 P319 E323 Y324 N329H44-N321 PolarHBondContact CD2-OD1 2.97Å; P319-N321 PolarHBondContact O-N 3.28Å; N321-E323 PolarHBondContact O-N 3.3Å; N321-E323 PolarHBondContact OD1-N 3.04Å; N321-Y324 HydrophobicContact CB-CD2 3.65Å; N321-Y324 HydrophobicContact CB-CE2 4.21Å; N321-Y324 HydrophobicContact CB-CG 3.92Å; N321-Y324 VanDerWaalsContact ND2-CD1 3.31Å; N321-Y324 WeakPolarHBondContact ND2-CD1 3.49Å; N321-Y324 WeakPolarHBondContact ND2-CD2 3.47Å; N321-Y324 VanDerWaalsContact ND2-CE1 3.35Å; N321-Y324 WeakPolarHBondContact ND2-CE1 3.46Å; N321-Y324 PolarHBondContact O-N 3.29Å; N321-Y324 VanDerWaalsContact O-N 3.14Å; N321-N329 PolarHBondContact N-OD1 2.66Å; N321-N329 PolarHBondContact O-ND2 3.44Å
322P91.6Very high90.5Very high82 Ų8257.5 Ų57.553%0.53233%0.328SS..THydrogen-bonded Turntrans-58.4-27.4177-25.235.7000114.3Y324P322-Y324 VanDerWaalsContact C-N 3.27Å; P322-Y324 PolarHBondContact O-N 2.87Å
323E89.7Confident92.2Very high154 Ų15455.7 Ų55.772%0.7231%0.314SS*.THydrogen-bonded Turntrans-81.2-3.8-179.4-48.8-45133.200113.5N321N321-E323 PolarHBondContact O-N 3.3Å; N321-E323 PolarHBondContact OD1-N 3.04Å
324Y92.5Very high93.5Very high66 Ų6660.5 Ų60.526%0.25933%0.334SS..SBendtrans-105.7145.6178.8-70.8-11.5000111.9N321 P322 R328 N329N321-Y324 HydrophobicContact CB-CD2 3.65Å; N321-Y324 HydrophobicContact CB-CE2 4.21Å; N321-Y324 HydrophobicContact CB-CG 3.92Å; N321-Y324 VanDerWaalsContact ND2-CD1 3.31Å; N321-Y324 WeakPolarHBondContact ND2-CD1 3.49Å; N321-Y324 WeakPolarHBondContact ND2-CD2 3.47Å; N321-Y324 VanDerWaalsContact ND2-CE1 3.35Å; N321-Y324 WeakPolarHBondContact ND2-CE1 3.46Å; N321-Y324 PolarHBondContact O-N 3.29Å; N321-Y324 VanDerWaalsContact O-N 3.14Å; P322-Y324 VanDerWaalsContact C-N 3.27Å; P322-Y324 PolarHBondContact O-N 2.87Å; Y324-R328 HydrophobicContact CD2-CG 4.26Å; Y324-R328 HydrophobicContact CG-CG 4.46Å; Y324-N329 WeakPolarHBondContact CB-ND2 3.35Å; Y324-N329 PolarHBondContact O-ND2 3.49Å
325S91.9Very high94.5Very high42 Ų4256.9 Ų56.929%0.29431%0.312SS..  trans-53.1153.5172.758.20000112.4T327 R328 N329 E612S325-T327 PolarHBondContact O-N 3.07Å; S325-R328 PolarHBondContact O-N 3.44Å; S325-R328 VanDerWaalsContact OG-CB 3.28Å; S325-R328 WeakPolarHBondContact OG-CB 3.27Å; S325-R328 PolarHBondContact OG-N 3.32Å; S325-R328 VanDerWaalsContact OG-N 3.15Å; S325-N329 PolarHBondContact O-N 2.84Å; S325-N329 PolarHBondContact O-ND2 3.04Å; S325-E612 WeakPolarHBondContact CB-OE1 3.31Å
326S91.4Very high95Very high90 Ų9057.4 Ų57.463%0.62932%0.318SS*.Hα-helixtrans-59.1-35.617563.40000111.6Q330S326-Q330 WeakPolarHBondContact O-CB 3.41Å; S326-Q330 PolarHBondContact O-N 3.48Å
327T93.7Very high95.3Very high94 Ų9464.1 Ų64.158%0.57733%0.334SS*.Hα-helixtrans-62.5-47.8174.4-530000112.3S325 Q330 G331S325-T327 PolarHBondContact O-N 3.07Å; T327-Q330 PolarHBondContact O-N 3.3Å; T327-G331 PolarHBondContact O-N 3.09Å
328R96.3Very high95.3Very high34 Ų3462.9 Ų62.913%0.12833%0.329CS..Hα-helixtrans-68.9-42.4179.5-174.4176-174.9173.66.4112.2E281 D285 Y324 S325 Q330 G331 R332E281-R328 VanDerWaalsContact CD-CZ 3.49Å; E281-R328 PolarHBondContact O-NH2 3.31Å; E281-R328 IonicContact OE1-CZ 3.55Å; E281-R328 VanDerWaalsContact OE1-CZ 3.3Å; E281-R328 IonicContact OE1-NH1 3.68Å; E281-R328 PolarHBondContact OE1-NH1 3.03Å; E281-R328 IonicContact OE1-NH2 2.69Å; E281-R328 PolarHBondContact OE1-NH2 3.24Å; E281-R328 IonicContact OE2-CZ 2.7Å; E281-R328 IonicContact OE2-NH1 3.62Å; E281-R328 PolarHBondContact OE2-NH1 3.49Å; E281-R328 IonicContact OE2-NH2 3.31Å; D285-R328 IonicContact OD1-CZ 3.37Å; D285-R328 IonicContact OD1-NE 2.66Å; D285-R328 PolarHBondContact OD1-NE 3.47Å; D285-R328 IonicContact OD1-NH2 2.92Å; D285-R328 WeakPolarHBondContact OD2-CG 3.23Å; D285-R328 IonicContact OD2-CZ 3.49Å; D285-R328 IonicContact OD2-NE 2.75Å; D285-R328 PolarHBondContact OD2-NE 3.25Å; D285-R328 IonicContact OD2-NH2 3.27Å; Y324-R328 HydrophobicContact CD2-CG 4.26Å; Y324-R328 HydrophobicContact CG-CG 4.46Å; S325-R328 PolarHBondContact O-N 3.44Å; S325-R328 VanDerWaalsContact OG-CB 3.28Å; S325-R328 WeakPolarHBondContact OG-CB 3.27Å; S325-R328 PolarHBondContact OG-N 3.32Å; S325-R328 VanDerWaalsContact OG-N 3.15Å; R328-Q330 VanDerWaalsContact C-N 3.3Å; R328-Q330 PolarHBondContact O-N 3.41Å; R328-G331 WeakPolarHBondContact O-CA 3.41Å; R328-G331 PolarHBondContact O-N 2.84Å; R328-G331 VanDerWaalsContact O-N 3.1Å; R328-R332 WeakPolarHBondContact O-CG 3.48Å; R328-R332 PolarHBondContact O-N 2.86Å
329N96.4Very high95.2Very high11 Ų1166.4 Ų66.46%0.05935%0.347CS..Hα-helixtrans-58.2-42.6172.9-83-59.4000111.7V320 N321 Y324 S325 R332 Q333V320-N329 WeakPolarHBondContact CA-OD1 3.28Å; N321-N329 PolarHBondContact N-OD1 2.66Å; N321-N329 PolarHBondContact O-ND2 3.44Å; Y324-N329 WeakPolarHBondContact CB-ND2 3.35Å; Y324-N329 PolarHBondContact O-ND2 3.49Å; S325-N329 PolarHBondContact O-N 2.84Å; S325-N329 PolarHBondContact O-ND2 3.04Å; N329-R332 PolarHBondContact O-N 3.25Å; N329-Q333 WeakPolarHBondContact O-CB 3.38Å; N329-Q333 VanDerWaalsContact O-CG 3.32Å; N329-Q333 WeakPolarHBondContact O-CG 3.46Å; N329-Q333 PolarHBondContact O-N 2.67Å
330Q96.1Very high95Very high107 Ų10769.2 Ų69.250%0.537%0.372SS..Hα-helixtrans-65.6-37174.1-168.5-171.59800112.4S326 T327 R328 Q333 K334S326-Q330 WeakPolarHBondContact O-CB 3.41Å; S326-Q330 PolarHBondContact O-N 3.48Å; T327-Q330 PolarHBondContact O-N 3.3Å; R328-Q330 VanDerWaalsContact C-N 3.3Å; R328-Q330 PolarHBondContact O-N 3.41Å; Q330-Q333 PolarHBondContact O-N 3.3Å; Q330-K334 HydrophobicContact CG-CD 4.49Å; Q330-K334 VanDerWaalsContact O-CG 3.31Å; Q330-K334 WeakPolarHBondContact O-CG 3.37Å; Q330-K334 PolarHBondContact O-N 2.94Å; Q330-K334 VanDerWaalsContact OE1-CE 3.26Å
331G97Very high94.8Very high34 Ų3469.5 Ų69.535%0.35137%0.368SS..Hα-helixtrans-58.9-54.4173.500000112T327 R328 Q333 K334 L335T327-G331 PolarHBondContact O-N 3.09Å; R328-G331 WeakPolarHBondContact O-CA 3.41Å; R328-G331 PolarHBondContact O-N 2.84Å; R328-G331 VanDerWaalsContact O-N 3.1Å; G331-Q333 VanDerWaalsContact C-N 3.32Å; G331-Q333 PolarHBondContact O-N 2.91Å; G331-K334 WeakPolarHBondContact O-CB 3.42Å; G331-K334 PolarHBondContact O-N 3.42Å; G331-K334 VanDerWaalsContact O-N 3.13Å; G331-L335 PolarHBondContact O-N 2.69Å
332R98.3Very high94.7Very high8 Ų873.3 Ų73.33%0.0339%0.385CS..Hα-helixtrans-52.4-46.7174.4-72.2164.561.981.34.4112.2D285 D288 L318 R328 N329 K334 L335D285-R332 HydrophobicContact CB-CG 3.76Å; D285-R332 VanDerWaalsContact OD1-CD 3.25Å; D285-R332 WeakPolarHBondContact OD1-CD 3.46Å; D285-R332 WeakPolarHBondContact OD1-CG 3.22Å; D285-R332 IonicContact OD1-CZ 2.76Å; D285-R332 IonicContact OD1-NE 3.51Å; D285-R332 IonicContact OD1-NH1 3.16Å; D285-R332 PolarHBondContact OD1-NH1 2.95Å; D285-R332 WeakPolarHBondContact OD2-CG 3.39Å; D288-R332 IonicContact OD2-CZ 2.84Å; D288-R332 IonicContact OD2-NH1 3.5Å; D288-R332 PolarHBondContact OD2-NH1 3.4Å; D288-R332 IonicContact OD2-NH2 3.99Å; D288-R332 PolarHBondContact OD2-NH2 3.1Å; L318-R332 HydrophobicContact CB-CB 4.32Å; L318-R332 HydrophobicContact CD1-CB 3.86Å; L318-R332 HydrophobicContact CD1-CG 4.36Å; R328-R332 WeakPolarHBondContact O-CG 3.48Å; R328-R332 PolarHBondContact O-N 2.86Å; N329-R332 PolarHBondContact O-N 3.25Å; R332-K334 PolarHBondContact O-N 3.42Å; R332-L335 WeakPolarHBondContact O-CB 3.26Å; R332-L335 PolarHBondContact O-N 2.98Å
333Q97.8Very high94.9Very high51 Ų5169.5 Ų69.524%0.23836%0.36CS..Hα-helixtrans-70-28.6-179.6-72.5175.6-13.600113.7F317 L318 N329 Q330 G331 L335 A336F317-Q333 HydrophobicContact CB-CB 4.38Å; F317-Q333 HydrophobicContact CB-CG 4.32Å; F317-Q333 HydrophobicContact CD2-CB 4.44Å; F317-Q333 HydrophobicContact CD2-CG 3.75Å; F317-Q333 HydrophobicContact CE2-CG 4.43Å; F317-Q333 HydrophobicContact CG-CB 4.48Å; F317-Q333 HydrophobicContact CG-CG 4.23Å; L318-Q333 VanDerWaalsContact O-CG 3.26Å; L318-Q333 WeakPolarHBondContact O-CG 3.29Å; L318-Q333 PolarHBondContact O-NE2 2.82Å; L318-Q333 VanDerWaalsContact O-NE2 3.09Å; N329-Q333 WeakPolarHBondContact O-CB 3.38Å; N329-Q333 VanDerWaalsContact O-CG 3.32Å; N329-Q333 WeakPolarHBondContact O-CG 3.46Å; N329-Q333 PolarHBondContact O-N 2.67Å; Q330-Q333 PolarHBondContact O-N 3.3Å; G331-Q333 VanDerWaalsContact C-N 3.32Å; G331-Q333 PolarHBondContact O-N 2.91Å; Q333-L335 VanDerWaalsContact C-N 3.27Å; Q333-L335 PolarHBondContact O-N 3.28Å; Q333-A336 PolarHBondContact O-N 3.17Å
334K97.9Very high95.2Very high103 Ų10362.7 Ų62.745%0.44833%0.331SS..Hα-helixtrans-66.1-26.6173.2-77.7167.7-178.5167.50112.8Q330 G331 R332 A336 R337 F338Q330-K334 HydrophobicContact CG-CD 4.49Å; Q330-K334 VanDerWaalsContact O-CG 3.31Å; Q330-K334 WeakPolarHBondContact O-CG 3.37Å; Q330-K334 PolarHBondContact O-N 2.94Å; Q330-K334 VanDerWaalsContact OE1-CE 3.26Å; G331-K334 WeakPolarHBondContact O-CB 3.42Å; G331-K334 PolarHBondContact O-N 3.42Å; G331-K334 VanDerWaalsContact O-N 3.13Å; R332-K334 PolarHBondContact O-N 3.42Å; K334-A336 PolarHBondContact O-N 2.82Å; K334-R337 WeakPolarHBondContact O-CB 3.31Å; K334-R337 PolarHBondContact O-N 2.7Å; K334-F338 WeakPolarHBondContact O-CD1 3.46Å
335L98Very high95.3Very high11 Ų1161.2 Ų61.26%0.05833%0.328CS..Hα-helixtrans-60-30.8178.6-59.7175.4000112.7D285 V286 E289 R293 G331 R332 Q333 R337 F338 L346D285-L335 HydrophobicContact CB-CD1 4.43Å; D285-L335 WeakPolarHBondContact O-CD1 3.29Å; V286-L335 HydrophobicContact CG2-CD1 3.96Å; V286-L335 HydrophobicContact CG2-CD2 4.16Å; E289-L335 HydrophobicContact CB-CB 4.07Å; E289-L335 HydrophobicContact CB-CD1 4.12Å; E289-L335 HydrophobicContact CG-CB 3.86Å; R293-L335 PolarHBondContact NH2-O 2.88Å; G331-L335 PolarHBondContact O-N 2.69Å; R332-L335 WeakPolarHBondContact O-CB 3.26Å; R332-L335 PolarHBondContact O-N 2.98Å; Q333-L335 VanDerWaalsContact C-N 3.27Å; Q333-L335 PolarHBondContact O-N 3.28Å; L335-R337 PolarHBondContact O-N 3.14Å; L335-F338 HydrophobicContact CD2-CE1 4.22Å; L335-F338 HydrophobicContact CD2-CZ 4.46Å; L335-F338 WeakPolarHBondContact O-CB 3.46Å; L335-F338 PolarHBondContact O-N 2.67Å; L335-F338 VanDerWaalsContact O-N 3.17Å; L335-L346 HydrophobicContact CD2-CD2 3.94Å
336A97.1Very high95.5Very high27 Ų2760.8 Ų60.822%0.22332%0.323CS..THydrogen-bonded Turntrans-66.2-19.3174.400000113.9E289 P316 F317 Q333 K334E289-A336 WeakPolarHBondContact OE1-CA 3.32Å; P316-A336 WeakPolarHBondContact O-CB 3.46Å; F317-A336 HydrophobicContact CB-CB 3.64Å; Q333-A336 PolarHBondContact O-N 3.17Å; K334-A336 PolarHBondContact O-N 2.82Å
337R96.4Very high95.8Very high215 Ų21556.5 Ų56.581%0.81129%0.293SS*.THydrogen-bonded Turntrans-81.6-14.1175-62.9-178.859.7167.4-2.3113.7K334 L335 N339K334-R337 WeakPolarHBondContact O-CB 3.31Å; K334-R337 PolarHBondContact O-N 2.7Å; L335-R337 PolarHBondContact O-N 3.14Å; R337-N339 PolarHBondContact O-N 3.44Å
338F96Very high95.9Very high71 Ų7153 Ų5331%0.31127%0.27SS..  trans-70.6125.2-179.1-77.155.2000109.7R293 K334 L335 E342 F343 L346R293-F338 PolarHBondContact NH1-O 2.71Å; R293-F338 PolarHBondContact NH2-O 2.76Å; K334-F338 WeakPolarHBondContact O-CD1 3.46Å; L335-F338 HydrophobicContact CD2-CE1 4.22Å; L335-F338 HydrophobicContact CD2-CZ 4.46Å; L335-F338 WeakPolarHBondContact O-CB 3.46Å; L335-F338 PolarHBondContact O-N 2.67Å; L335-F338 VanDerWaalsContact O-N 3.17Å; F338-E342 WeakPolarHBondContact CA-OE2 3.24Å; F338-E342 HydrophobicContact CB-CB 4.16Å; F338-E342 HydrophobicContact CD2-CB 3.76Å; F338-E342 HydrophobicContact CG-CB 4.3Å; F338-F343 HydrophobicContact CB-CB 3.92Å; F338-F343 HydrophobicContact CB-CD2 4.16Å; F338-F343 HydrophobicContact CB-CG 4.5Å; F338-L346 HydrophobicContact CD2-CD2 4.43Å; F338-L346 HydrophobicContact CE2-CD2 3.94Å; F338-L346 HydrophobicContact CZ-CD2 4.39Å
339N93.8Very high95.8Very high80 Ų8052.2 Ų52.243%0.42827%0.269SS..  trans-66.3170171.67753.7000111R337 H341 E342 F343R337-N339 PolarHBondContact O-N 3.44Å; N339-H341 VanDerWaalsContact C-N 3.28Å; N339-H341 PolarHBondContact O-N 2.93Å; N339-H341 WeakPolarHBondContact OD1-CA 3.37Å; N339-H341 WeakPolarHBondContact OD1-CB 3.42Å; N339-H341 PolarHBondContact OD1-N 3.02Å; N339-E342 VanDerWaalsContact CG-OE2 3.32Å; N339-E342 PolarHBondContact N-OE2 3.08Å; N339-E342 WeakPolarHBondContact ND2-CG 3.35Å; N339-E342 PolarHBondContact ND2-OE1 2.84Å; N339-E342 PolarHBondContact ND2-OE2 3.18Å; N339-E342 PolarHBondContact O-N 3.2Å; N339-E342 PolarHBondContact OD1-N 3.06Å; N339-F343 WeakPolarHBondContact O-CB 3.5Å; N339-F343 PolarHBondContact O-N 3.2Å
340A92.7Very high95.9Very high80 Ų8051.7 Ų51.766%0.66127%0.266SS*.Hα-helixtrans-58-37.4-174.700000113.5A344A340-A344 WeakPolarHBondContact O-CB 3.06Å; A340-A344 PolarHBondContact O-N 3.29Å
341H90.7Very high95.9Very high90 Ų9046.7 Ų46.742%0.41724%0.242SC..Hα-helixtrans-73.4-46.1179.6178.1-75.9000111.9M252 N339 A344 T345M252-H341 WeakPolarHBondContact CE-CD2 3.33Å; M252-H341 WeakPolarHBondContact CE-NE2 3.39Å; N339-H341 VanDerWaalsContact C-N 3.28Å; N339-H341 PolarHBondContact O-N 2.93Å; N339-H341 WeakPolarHBondContact OD1-CA 3.37Å; N339-H341 WeakPolarHBondContact OD1-CB 3.42Å; N339-H341 PolarHBondContact OD1-N 3.02Å; H341-A344 PolarHBondContact O-N 3.32Å; H341-T345 WeakPolarHBondContact O-CB 3.22Å; H341-T345 PolarHBondContact O-N 3.03Å; H341-T345 PolarHBondContact O-OG1 2.9Å
342E93.4Very high95.8Very high90 Ų9046.5 Ų46.542%0.42124%0.236SC..Hα-helixtrans-59.8-46.3176.3-67.5165.8160.700111.3F338 N339 T345 L346F338-E342 WeakPolarHBondContact CA-OE2 3.24Å; F338-E342 HydrophobicContact CB-CB 4.16Å; F338-E342 HydrophobicContact CD2-CB 3.76Å; F338-E342 HydrophobicContact CG-CB 4.3Å; N339-E342 VanDerWaalsContact CG-OE2 3.32Å; N339-E342 PolarHBondContact N-OE2 3.08Å; N339-E342 WeakPolarHBondContact ND2-CG 3.35Å; N339-E342 PolarHBondContact ND2-OE1 2.84Å; N339-E342 PolarHBondContact ND2-OE2 3.18Å; N339-E342 PolarHBondContact O-N 3.2Å; N339-E342 PolarHBondContact OD1-N 3.06Å; E342-T345 WeakPolarHBondContact O-CB 3.48Å; E342-T345 PolarHBondContact O-N 3.47Å; E342-L346 PolarHBondContact O-N 3.1Å
343F96.4Very high95.7Very high1 Ų146.1 Ų46.10%0.00423%0.234CC..Hα-helixtrans-67.9-43.1-179.2-165.7-111.3000111.6Y233 V286 E289 V290 F338 N339 T345 L346 V347Y233-F343 HydrophobicContact CD1-CE1 4.34Å; Y233-F343 AromaticContact CE1-CD1 3.71Å; Y233-F343 HydrophobicContact CE1-CD1 3.71Å; Y233-F343 AromaticContact CE1-CE1 3.65Å; Y233-F343 HydrophobicContact CE1-CE1 3.65Å; V286-F343 HydrophobicContact CG1-CE2 4.13Å; V286-F343 HydrophobicContact CG1-CZ 4.08Å; E289-F343 HydrophobicContact CB-CE2 4.11Å; E289-F343 HydrophobicContact CB-CZ 3.98Å; E289-F343 HydrophobicContact CG-CE2 3.6Å; E289-F343 HydrophobicContact CG-CZ 3.59Å; V290-F343 HydrophobicContact CG2-CE1 3.73Å; V290-F343 HydrophobicContact CG2-CZ 3.86Å; F338-F343 HydrophobicContact CB-CB 3.92Å; F338-F343 HydrophobicContact CB-CD2 4.16Å; F338-F343 HydrophobicContact CB-CG 4.5Å; N339-F343 WeakPolarHBondContact O-CB 3.5Å; N339-F343 PolarHBondContact O-N 3.2Å; F343-T345 VanDerWaalsContact C-N 3.31Å; F343-T345 PolarHBondContact O-N 2.83Å; F343-L346 PolarHBondContact O-N 3.28Å; F343-V347 HydrophobicContact CD1-CG2 4.27Å; F343-V347 HydrophobicContact CE1-CG2 4.07Å; F343-V347 HydrophobicContact CZ-CG2 4.27Å; F343-V347 VanDerWaalsContact O-CG2 3.3Å; F343-V347 WeakPolarHBondContact O-CG2 3.45Å; F343-V347 PolarHBondContact O-N 3.41Å
344A95.4Very high95.7Very high12 Ų1244.4 Ų44.410%0.09923%0.229CC..Hα-helixtrans-60.6-39.3173.600000112.4L234 M252 A340 H341 V347 I348L234-A344 HydrophobicContact CD1-CB 4.45Å; L234-A344 HydrophobicContact CD2-CB 3.74Å; M252-A344 HydrophobicContact CE-CB 4.29Å; M252-A344 HydrophobicContact SD-CB 4.02Å; A340-A344 WeakPolarHBondContact O-CB 3.06Å; A340-A344 PolarHBondContact O-N 3.29Å; H341-A344 PolarHBondContact O-N 3.32Å; A344-V347 PolarHBondContact O-N 3.18Å; A344-I348 WeakPolarHBondContact O-CB 3.48Å; A344-I348 VanDerWaalsContact O-CG1 3.27Å; A344-I348 WeakPolarHBondContact O-CG1 3.32Å; A344-I348 PolarHBondContact O-N 3.19Å
345T93.8Very high95.5Very high34 Ų3442.7 Ų42.721%0.20922%0.222CC..Hα-helixtrans-61-48.8175.9-550000111H341 E342 F343 V347 I348 D349H341-T345 WeakPolarHBondContact O-CB 3.22Å; H341-T345 PolarHBondContact O-N 3.03Å; H341-T345 PolarHBondContact O-OG1 2.9Å; E342-T345 WeakPolarHBondContact O-CB 3.48Å; E342-T345 PolarHBondContact O-N 3.47Å; F343-T345 VanDerWaalsContact C-N 3.31Å; F343-T345 PolarHBondContact O-N 2.83Å; T345-V347 PolarHBondContact O-N 2.88Å; T345-I348 PolarHBondContact O-N 3.14Å; T345-D349 WeakPolarHBondContact O-CB 3.31Å; T345-D349 PolarHBondContact O-N 3.39Å
346L96.3Very high95.4Very high34 Ų3445.7 Ų45.718%0.17823%0.232CC..Hα-helixtrans-60.1-43.4177.1177.260.5000112.2V286 L335 F338 E342 F343 D349 I350V286-L346 HydrophobicContact CG2-CD2 3.83Å; V286-L346 HydrophobicContact CG2-CG 4.33Å; L335-L346 HydrophobicContact CD2-CD2 3.94Å; F338-L346 HydrophobicContact CD2-CD2 4.43Å; F338-L346 HydrophobicContact CE2-CD2 3.94Å; F338-L346 HydrophobicContact CZ-CD2 4.39Å; E342-L346 PolarHBondContact O-N 3.1Å; F343-L346 PolarHBondContact O-N 3.28Å; L346-D349 PolarHBondContact O-N 3.42Å; L346-I350 HydrophobicContact CD1-CD1 3.92Å; L346-I350 HydrophobicContact CD1-CG1 4.3Å; L346-I350 HydrophobicContact CG-CD1 4Å; L346-I350 WeakPolarHBondContact O-CG1 3.38Å; L346-I350 PolarHBondContact O-N 3.42Å
347V97.6Very high95.2Very high0 Ų046.6 Ų46.60%023%0.23CC..Hα-helixtrans-66-43.1179.2171.80000111.6L230 L234 V286 F343 A344 T345 D349 I350 L351L230-V347 HydrophobicContact CB-CG1 3.86Å; L230-V347 HydrophobicContact CD2-CG1 4.22Å; L230-V347 HydrophobicContact CD2-CG2 4.35Å; L230-V347 HydrophobicContact CG-CG1 4.42Å; L230-V347 WeakPolarHBondContact O-CG1 3.41Å; L234-V347 HydrophobicContact CD1-CB 3.93Å; L234-V347 HydrophobicContact CD1-CG1 3.55Å; L234-V347 HydrophobicContact CG-CG1 4Å; V286-V347 HydrophobicContact CG1-CG2 3.75Å; F343-V347 HydrophobicContact CD1-CG2 4.27Å; F343-V347 HydrophobicContact CE1-CG2 4.07Å; F343-V347 HydrophobicContact CZ-CG2 4.27Å; F343-V347 VanDerWaalsContact O-CG2 3.3Å; F343-V347 WeakPolarHBondContact O-CG2 3.45Å; F343-V347 PolarHBondContact O-N 3.41Å; A344-V347 PolarHBondContact O-N 3.18Å; T345-V347 PolarHBondContact O-N 2.88Å; V347-D349 VanDerWaalsContact C-N 3.33Å; V347-D349 PolarHBondContact O-N 3.22Å; V347-I350 PolarHBondContact O-N 2.9Å; V347-L351 HydrophobicContact CG1-CD1 4.08Å; V347-L351 WeakPolarHBondContact O-CB 3.3Å; V347-L351 VanDerWaalsContact O-CG 3.27Å; V347-L351 WeakPolarHBondContact O-CG 3.41Å; V347-L351 PolarHBondContact O-N 3.09Å
348I95.8Very high94.9Very high19 Ų1940.9 Ų40.910%0.09721%0.212CC..Hα-helixtrans-64-38.6175.7-69.9166.7000111.4L234 I249 P250 M252 A344 T345 S352L234-I348 HydrophobicContact CD1-CD1 4.13Å; L234-I348 HydrophobicContact CD1-CG1 3.58Å; I249-I348 HydrophobicContact CG2-CG2 4.28Å; P250-I348 HydrophobicContact CB-CD1 4.1Å; P250-I348 HydrophobicContact CB-CG1 4.06Å; P250-I348 HydrophobicContact CG-CG1 4.37Å; M252-I348 HydrophobicContact CG-CD1 3.65Å; M252-I348 HydrophobicContact SD-CD1 3.59Å; M252-I348 VanDerWaalsContact SD-CD1 3.59Å; A344-I348 WeakPolarHBondContact O-CB 3.48Å; A344-I348 VanDerWaalsContact O-CG1 3.27Å; A344-I348 WeakPolarHBondContact O-CG1 3.32Å; A344-I348 PolarHBondContact O-N 3.19Å; T345-I348 PolarHBondContact O-N 3.14Å; I348-S352 WeakPolarHBondContact O-CB 3.37Å; I348-S352 PolarHBondContact O-N 2.99Å; I348-S352 PolarHBondContact O-OG 2.9Å
349D95.8Very high94.4Very high19 Ų1943.5 Ų43.510%0.10223%0.225CC..Hα-helixtrans-67.1-43.1176-85.3-2.5000111.9K268 L271 T345 L346 V347 S352 D353K268-D349 WeakPolarHBondContact CB-OD2 3.35Å; K268-D349 VanDerWaalsContact CD-OD1 3.3Å; K268-D349 WeakPolarHBondContact CD-OD1 3.34Å; K268-D349 WeakPolarHBondContact CE-OD1 3.13Å; K268-D349 WeakPolarHBondContact CG-OD2 3.43Å; K268-D349 IonicContact NZ-OD1 2.6Å; K268-D349 PolarHBondContact NZ-OD1 3.47Å; L271-D349 HydrophobicContact CD2-CB 3.81Å; T345-D349 WeakPolarHBondContact O-CB 3.31Å; T345-D349 PolarHBondContact O-N 3.39Å; L346-D349 PolarHBondContact O-N 3.42Å; V347-D349 VanDerWaalsContact C-N 3.33Å; V347-D349 PolarHBondContact O-N 3.22Å; D349-S352 WeakPolarHBondContact O-CB 3.4Å; D349-S352 PolarHBondContact O-N 3.36Å; D349-D353 WeakPolarHBondContact O-CB 3.41Å; D349-D353 PolarHBondContact O-N 3.42Å
350I97.8Very high93Very high0 Ų041.2 Ų41.20%022%0.221CC..Hα-helixtrans-61.4-45.3174-72.4169.6000111.4L230 L271 F279 A283 V286 L346 V347 S352 D353 A354L230-I350 HydrophobicContact CD1-CB 4.47Å; L230-I350 HydrophobicContact CD1-CG2 3.68Å; L271-I350 HydrophobicContact CD1-CG1 4.24Å; L271-I350 HydrophobicContact CD2-CG1 4.08Å; F279-I350 HydrophobicContact CE2-CB 4.41Å; F279-I350 HydrophobicContact CE2-CG1 4.26Å; F279-I350 HydrophobicContact CE2-CG2 4.16Å; F279-I350 HydrophobicContact CZ-CG2 3.9Å; F279-I350 WeakPolarHBondContact CZ-O 3.37Å; A283-I350 HydrophobicContact CB-CG2 4.02Å; V286-I350 HydrophobicContact CB-CD1 3.97Å; V286-I350 HydrophobicContact CG1-CD1 4.13Å; V286-I350 HydrophobicContact CG2-CD1 3.7Å; L346-I350 HydrophobicContact CD1-CD1 3.92Å; L346-I350 HydrophobicContact CD1-CG1 4.3Å; L346-I350 HydrophobicContact CG-CD1 4Å; L346-I350 WeakPolarHBondContact O-CG1 3.38Å; L346-I350 PolarHBondContact O-N 3.42Å; V347-I350 PolarHBondContact O-N 2.9Å; I350-S352 VanDerWaalsContact C-N 3.3Å; I350-S352 PolarHBondContact O-N 2.89Å; I350-D353 PolarHBondContact O-N 3.13Å; I350-A354 WeakPolarHBondContact O-CB 3.39Å; I350-A354 PolarHBondContact O-N 3.33Å
351L96.9Very high90.7Very high1 Ų143.8 Ų43.81%0.00522%0.223CC..Hα-helixtrans-58.5-42.6174.7-73.1168.7000111.9T227 L230 A231 I249 P250 V347 K355T227-L351 HydrophobicContact CG2-CD2 4.14Å; T227-L351 VanDerWaalsContact O-CD2 3.25Å; T227-L351 WeakPolarHBondContact O-CD2 3.46Å; L230-L351 HydrophobicContact CB-CD1 4.36Å; L230-L351 HydrophobicContact CB-CD2 3.85Å; L230-L351 HydrophobicContact CB-CG 4.13Å; A231-L351 HydrophobicContact CB-CD1 4.19Å; A231-L351 HydrophobicContact CB-CD2 4.3Å; I249-L351 HydrophobicContact CD1-CB 3.82Å; I249-L351 WeakPolarHBondContact CD1-O 3.41Å; P250-L351 HydrophobicContact CG-CD1 4.38Å; V347-L351 HydrophobicContact CG1-CD1 4.08Å; V347-L351 WeakPolarHBondContact O-CB 3.3Å; V347-L351 VanDerWaalsContact O-CG 3.27Å; V347-L351 WeakPolarHBondContact O-CG 3.41Å; V347-L351 PolarHBondContact O-N 3.09Å; L351-K355 PolarHBondContact O-N 3.14Å
352S94.9Very high87.8Confident30 Ų3044.4 Ų44.421%0.2124%0.238CC..Hα-helixtrans-65.5-38.5176.8-58.10000112.2I348 D349 I350 R356I348-S352 WeakPolarHBondContact O-CB 3.37Å; I348-S352 PolarHBondContact O-N 2.99Å; I348-S352 PolarHBondContact O-OG 2.9Å; D349-S352 WeakPolarHBondContact O-CB 3.4Å; D349-S352 PolarHBondContact O-N 3.36Å; I350-S352 VanDerWaalsContact C-N 3.3Å; I350-S352 PolarHBondContact O-N 2.89Å; S352-R356 PolarHBondContact O-N 3.22Å
353D95.8Very high84.9Confident0 Ų045.9 Ų45.90%025%0.253CS..Hα-helixtrans-71.6-45.4-179.7-128.265.7000111.9L271 Q272 F279 D349 I350 K355 R356 R357L271-D353 HydrophobicContact CD2-CB 4.26Å; Q272-D353 WeakPolarHBondContact CG-OD1 3.34Å; F279-D353 HydrophobicContact CD2-CB 4.24Å; F279-D353 HydrophobicContact CE2-CB 3.48Å; F279-D353 VanDerWaalsContact CE2-CB 3.48Å; F279-D353 HydrophobicContact CZ-CB 3.75Å; D349-D353 WeakPolarHBondContact O-CB 3.41Å; D349-D353 PolarHBondContact O-N 3.42Å; I350-D353 PolarHBondContact O-N 3.13Å; D353-K355 VanDerWaalsContact C-N 3.33Å; D353-K355 PolarHBondContact O-N 3.43Å; D353-R356 VanDerWaalsContact CG-NH1 3.29Å; D353-R356 PolarHBondContact O-N 2.88Å; D353-R356 IonicContact OD1-CZ 2.74Å; D353-R356 IonicContact OD1-NH1 3.66Å; D353-R356 PolarHBondContact OD1-NH1 2.97Å; D353-R356 IonicContact OD1-NH2 2.64Å; D353-R356 PolarHBondContact OD1-NH2 3.28Å; D353-R356 VanDerWaalsContact OD1-NH2 3.13Å; D353-R356 IonicContact OD2-CZ 2.62Å; D353-R356 IonicContact OD2-NH1 3.13Å; D353-R356 IonicContact OD2-NH2 3.36Å; D353-R356 PolarHBondContact OD2-NH2 2.96Å; D353-R357 WeakPolarHBondContact O-CG 3.29Å; D353-R357 PolarHBondContact O-N 3.24Å; D353-R357 IonicContact OD2-CZ 3.24Å; D353-R357 VanDerWaalsContact OD2-CZ 3.25Å; D353-R357 IonicContact OD2-NE 2.76Å; D353-R357 PolarHBondContact OD2-NE 2.94Å; D353-R357 IonicContact OD2-NH2 3.64Å; D353-R357 PolarHBondContact OD2-NH2 2.98Å
354A96.6Very high81.8Confident15 Ų1548.5 Ų48.512%0.12428%0.28CS..Hα-helixtrans-57.6-45.9176.500000111.2T227 F247 F279 I350 R356 R357 Q358T227-A354 HydrophobicContact CG2-CB 3.82Å; F247-A354 HydrophobicContact CE1-CB 4.04Å; F279-A354 HydrophobicContact CE1-CB 4.03Å; F279-A354 HydrophobicContact CZ-CB 4.01Å; I350-A354 WeakPolarHBondContact O-CB 3.39Å; I350-A354 PolarHBondContact O-N 3.33Å; A354-R356 PolarHBondContact O-N 3.25Å; A354-R357 PolarHBondContact O-N 2.92Å; A354-Q358 PolarHBondContact O-N 3.01Å
355K95.1Very high78.6Confident68 Ų6850.9 Ų50.930%0.29630%0.296SS..Hα-helixtrans-58.2-47.3175.1-176.1171.3-173.9167.20112.2F247 I249 L351 D353 Q359F247-K355 HydrophobicContact CB-CB 4.36Å; F247-K355 HydrophobicContact CB-CD 3.94Å; F247-K355 HydrophobicContact CB-CG 4.33Å; F247-K355 HydrophobicContact CD1-CB 3.93Å; F247-K355 HydrophobicContact CD2-CB 3.93Å; F247-K355 HydrophobicContact CD2-CD 4.13Å; F247-K355 HydrophobicContact CD2-CG 3.71Å; F247-K355 HydrophobicContact CE1-CB 4.16Å; F247-K355 HydrophobicContact CE2-CB 4.16Å; F247-K355 HydrophobicContact CE2-CG 4.11Å; F247-K355 HydrophobicContact CG-CB 3.82Å; F247-K355 HydrophobicContact CG-CD 4.14Å; F247-K355 HydrophobicContact CG-CG 3.97Å; F247-K355 HydrophobicContact CZ-CB 4.28Å; I249-K355 HydrophobicContact CD1-CB 4.4Å; I249-K355 HydrophobicContact CD1-CD 4.28Å; I249-K355 HydrophobicContact CG1-CD 4.27Å; L351-K355 PolarHBondContact O-N 3.14Å; D353-K355 VanDerWaalsContact C-N 3.33Å; D353-K355 PolarHBondContact O-N 3.43Å; K355-Q359 HydrophobicContact CG-CG 4.47Å; K355-Q359 WeakPolarHBondContact O-CB 3.47Å; K355-Q359 VanDerWaalsContact O-CG 3.31Å; K355-Q359 WeakPolarHBondContact O-CG 3.24Å; K355-Q359 PolarHBondContact O-N 2.61Å
356R94.8Very high76Confident73 Ų7354.2 Ų54.228%0.27532%0.318SS..Hα-helixtrans-62.7-43.2177-172.6-169.567.6-96.6-2.1111.7S352 D353 A354 G360S352-R356 PolarHBondContact O-N 3.22Å; D353-R356 VanDerWaalsContact CG-NH1 3.29Å; D353-R356 PolarHBondContact O-N 2.88Å; D353-R356 IonicContact OD1-CZ 2.74Å; D353-R356 IonicContact OD1-NH1 3.66Å; D353-R356 PolarHBondContact OD1-NH1 2.97Å; D353-R356 IonicContact OD1-NH2 2.64Å; D353-R356 PolarHBondContact OD1-NH2 3.28Å; D353-R356 VanDerWaalsContact OD1-NH2 3.13Å; D353-R356 IonicContact OD2-CZ 2.62Å; D353-R356 IonicContact OD2-NH1 3.13Å; D353-R356 IonicContact OD2-NH2 3.36Å; D353-R356 PolarHBondContact OD2-NH2 2.96Å; A354-R356 PolarHBondContact O-N 3.25Å; R356-G360 CarbonylContact O-C 3.24Å; R356-G360 PolarHBondContact O-N 2.8Å; R356-G360 VanDerWaalsContact O-N 3.09Å
357R94.3Very high73.2Confident47 Ų4760.4 Ų60.418%0.17734%0.344CS..Hα-helixtrans-63.7-43.3-178.9-72.5173.1-168-94.41.9111.5L271 Q272 L274 N276 D353 A354 G360L271-R357 PolarHBondContact O-NH2 3.44Å; Q272-R357 PolarHBondContact O-NH2 2.77Å; L274-R357 PolarHBondContact O-NH1 3.06Å; L274-R357 PolarHBondContact O-NH2 3.44Å; N276-R357 PolarHBondContact OD1-NH1 3.32Å; D353-R357 WeakPolarHBondContact O-CG 3.29Å; D353-R357 PolarHBondContact O-N 3.24Å; D353-R357 IonicContact OD2-CZ 3.24Å; D353-R357 VanDerWaalsContact OD2-CZ 3.25Å; D353-R357 IonicContact OD2-NE 2.76Å; D353-R357 PolarHBondContact OD2-NE 2.94Å; D353-R357 IonicContact OD2-NH2 3.64Å; D353-R357 PolarHBondContact OD2-NH2 2.98Å; A354-R357 PolarHBondContact O-N 2.92Å; R357-G360 PolarHBondContact O-N 3.32Å
358Q89.5Confident70.2Confident95 Ų9566.3 Ų66.344%0.44438%0.375SS..Hα-helixtrans-73.9-38.1179.9-159.2-164.43600113.3Y224 F247 A354 G360Y224-Q358 PolarHBondContact OH-NE2 3.15Å; Y224-Q358 PolarHBondContact OH-OE1 3.41Å; F247-Q358 HydrophobicContact CE2-CB 4.42Å; F247-Q358 HydrophobicContact CZ-CB 4.07Å; F247-Q358 VanDerWaalsContact CZ-OE1 3.32Å; A354-Q358 PolarHBondContact O-N 3.01Å; Q358-G360 PolarHBondContact O-N 3.28Å
359Q84.5Confident67.2Low125 Ų12571.3 Ų71.358%0.58440%0.402SS*.Hα-helixtrans-70.4-8.8172.9-66.4-174.5-41.800112.6K355K355-Q359 HydrophobicContact CG-CG 4.47Å; K355-Q359 WeakPolarHBondContact O-CB 3.47Å; K355-Q359 VanDerWaalsContact O-CG 3.31Å; K355-Q359 WeakPolarHBondContact O-CG 3.24Å; K355-Q359 PolarHBondContact O-N 2.61Å
360G64.8Low64.5Low32 Ų3274.1 Ų74.133%0.3342%0.42SS..  trans65.6176.2-17000000112.6R356 R357 Q358 S362R356-G360 CarbonylContact O-C 3.24Å; R356-G360 PolarHBondContact O-N 2.8Å; R356-G360 VanDerWaalsContact O-N 3.09Å; R357-G360 PolarHBondContact O-N 3.32Å; Q358-G360 PolarHBondContact O-N 3.28Å; G360-S362 PolarHBondContact O-N 3.32Å
361N43.7Very low61.5Low134 Ų13480.5 Ų80.572%0.71745%0.45SS*.  trans-70.385.6157-82.3-8000107.9V363N361-V363 VanDerWaalsContact C-N 3.27Å; N361-V363 PolarHBondContact O-N 3.1Å
362S30.2Very low58.7Low104 Ų10487.6 Ų87.673%0.72749%0.487SS*.  trans-58.897.3159.7610000107.7G360 G364G360-S362 PolarHBondContact O-N 3.32Å; S362-G364 PolarHBondContact O-N 3.12Å
363V32.7Very low56.1Low120 Ų12092.2 Ų92.273%0.72751%0.508SS*.  trans-60.4108177.8172.10000106.9N361 S365N361-V363 VanDerWaalsContact C-N 3.27Å; N361-V363 PolarHBondContact O-N 3.1Å; V363-S365 PolarHBondContact O-N 3.48Å
364G32.1Very low53.2Low56 Ų5698.8 Ų98.858%0.57754%0.542SS*.  trans-49.6129.3167.700000107.9S362S362-G364 PolarHBondContact O-N 3.12Å
365S27.7Very low50.3Low63 Ų63105.8 Ų105.844%0.44157%0.57SS.*  trans-54.6146.2-161.981.50000111.1V363 K367V363-S365 PolarHBondContact O-N 3.48Å; S365-K367 PolarHBondContact O-N 3.35Å
366P38.6Very low47.3Very low103 Ų103105.7 Ų105.767%0.66959%0.588SS**THydrogen-bonded Turntrans-63.716.2-172.5-25.535.7000117.2V370P366-V370 WeakPolarHBondContact O-CG2 3.24Å
367K37.9Very low44.3Very low165 Ų165108.9 Ų108.972%0.71762%0.615SS**THydrogen-bonded Turntrans-88.3-35.4-179.4-62.4-172.8175.6-176.20112.9S365 N369 V370S365-K367 PolarHBondContact O-N 3.35Å; K367-N369 VanDerWaalsContact C-N 3.3Å; K367-N369 PolarHBondContact O-N 2.84Å; K367-V370 WeakPolarHBondContact O-CB 3.4Å; K367-V370 PolarHBondContact O-N 3.48Å; K367-V370 VanDerWaalsContact O-N 3.12Å
368D34.2Very low41.3Very low123 Ų123110.6 Ų110.666%0.65864%0.64SS**THydrogen-bonded Turntrans-74.3-23.7-172.3-57.5-17.3000112.5V370D368-V370 VanDerWaalsContact C-N 3.27Å; D368-V370 PolarHBondContact O-N 3Å
369N33.2Very low38.6Very low124 Ų124113.2 Ų113.266%0.66366%0.662SS**THydrogen-bonded Turntrans-77.2-6.4173-72.8-34.9000113.9K367K367-N369 VanDerWaalsContact C-N 3.3Å; K367-N369 PolarHBondContact O-N 2.84Å
370V39.6Very low36.1Very low78 Ų78117.3 Ų117.347%0.47367%0.672SS.*THydrogen-bonded Turntrans-85.3-31.6-177.1-177.40000112.1P366 K367 D368 L372 I373 L374P366-V370 WeakPolarHBondContact O-CG2 3.24Å; K367-V370 WeakPolarHBondContact O-CB 3.4Å; K367-V370 PolarHBondContact O-N 3.48Å; K367-V370 VanDerWaalsContact O-N 3.12Å; D368-V370 VanDerWaalsContact C-N 3.27Å; D368-V370 PolarHBondContact O-N 3Å; V370-L372 PolarHBondContact O-N 3.31Å; V370-I373 PolarHBondContact O-N 2.85Å; V370-L374 HydrophobicContact CG1-CD1 4.09Å
371E35.2Very low34.4Very low134 Ų134123.9 Ų123.963%0.62669%0.694SS**THydrogen-bonded Turntrans-72.3-28.8-173.7-162.2-179.7156.300113.4K375E371-K375 IonicContact OE1-NZ 3.03Å; E371-K375 PolarHBondContact OE1-NZ 2.65Å; E371-K375 VanDerWaalsContact OE1-NZ 3.13Å
372L36.9Very low33.6Very low150 Ų150122.7 Ų122.779%0.78570%0.696SS**THydrogen-bonded Turntrans-76.9-23.7179.2-79.6165.4000113.9V370V370-L372 PolarHBondContact O-N 3.31Å
373I41.2Very low33.7Very low128 Ų128122.9 Ų122.966%0.65670%0.697SS**THydrogen-bonded Turntrans-82.8-29.5-177.9-62.3176.9000111.4V370 K375V370-I373 PolarHBondContact O-N 2.85Å; I373-K375 VanDerWaalsContact C-N 3.32Å; I373-K375 PolarHBondContact O-N 3.01Å
374L34.1Very low33.8Very low138 Ų138124.3 Ų124.372%0.72370%0.701SS**THydrogen-bonded Turntrans-77.6-6.7-176.1-78.3166.5000115.5V370V370-L374 HydrophobicContact CG1-CD1 4.09Å
375K35.7Very low34Very low162 Ų162132.1 Ų132.170%0.70471%0.714SS**THydrogen-bonded Turntrans-98.6-4.6177.7-78.8167.8180151.70114.5E371 I373E371-K375 IonicContact OE1-NZ 3.03Å; E371-K375 PolarHBondContact OE1-NZ 2.65Å; E371-K375 VanDerWaalsContact OE1-NZ 3.13Å; I373-K375 VanDerWaalsContact C-N 3.32Å; I373-K375 PolarHBondContact O-N 3.01Å
376G32.2Very low34.4Very low66 Ų66135.4 Ų135.468%0.6873%0.727SS**SBendtrans-87.8-13-179.800000116A378G376-A378 PolarHBondContact O-N 3.01Å
377V32.7Very low34.4Very low139 Ų139136.2 Ų136.284%0.84274%0.735SS**  trans-100.969.6-169.5-168.50000111.7
378A31.7Very low34.3Very low83 Ų83135 Ų13569%0.68674%0.741SS**  trans-145.8130169.100000111.6G376G376-A378 PolarHBondContact O-N 3.01Å
379V32.1Very low34.2Very low150 Ų150134 Ų13491%0.90975%0.75SS**  trans79.5139.7-175.5-169.90000114.8
380R31.3Very low34.2Very low211 Ų211133.7 Ų133.780%0.79676%0.758SS**  trans-132.2157.3-174.3-60.4175.5171.9175.5-4.1110.9
381H30.6Very low34.3Very low170 Ų170136.8 Ų136.879%0.78777%0.771SS**  trans63151.2164-58.1-64.4000115.5
382S26.6Very low34.3Very low110 Ų110139.8 Ų139.877%0.76979%0.785SS**  cis-152169.3-11.744.20000106
383S30.8Very low34.4Very low107 Ų107139.9 Ų139.975%0.74879%0.787SS**  cis-168.2169.441.250.80000111.8
384D34.7Very low34.1Very low150 Ų150139.5 Ų139.580%0.80279%0.791SS**  trans-73.8158.3175.1-44.2-89000113.9
385Y36.7Very low34.1Very low220 Ų220139.2 Ų139.286%0.86379%0.79SS**  trans154.7108.3155.5-102-77000106
386D36.5Very low33.9Very low133 Ų133138.6 Ų138.671%0.71179%0.79SS**  68.5102.353-169.229.9000114.7
387S39.5Very low33.7Very low120 Ų120143.3 Ų143.384%0.83979%0.794SS**  trans-173.2146.1149.4-79.70000110
388V35.6Very low33.5Very low139 Ų139143.1 Ų143.184%0.84279%0.787SS**  trans-118.1149.7-178-86.10000112.6
389A31.2Very low33.9Very low102 Ų102144 Ų14484%0.84379%0.786SS**  trans37133.6150.700000121.9
390S34.3Very low33.7Very low118 Ų118142.1 Ų142.183%0.82578%0.779SS**  -165.7146.5123-167.60000111.3
391D40.4Very low33.6Very low142 Ų142138.1 Ų138.176%0.75978%0.784SS**  trans-76.6161.1163.6-45.2-82.8000111.2
392E35.7Very low33.7Very low197 Ų197140 Ų14092%0.92179%0.79SS**  178.8-179114-94.2-164.1147.300111.8
393D37.9Very low33.9Very low152 Ų152138.4 Ų138.481%0.81379%0.791SS**  trans-112.9-177.1-143.9-114.3-44.3000117.1
394T35Very low33.9Very low121 Ų121141 Ų14174%0.74280%0.797SS**  trans84.1105151.935.30000124
395D34.6Very low33.8Very low131 Ų131145.3 Ų145.370%0.70180%0.802SS**  82.2141.9115.5-97.68.7000127.1
396Q31.3Very low33.8Very low150 Ų150142 Ų14270%0.70180%0.804SS**  trans70.1105.9149.4-70.9164.837.100119.5
397E27.9Very low33.7Very low164 Ų164144.4 Ų144.477%0.76681%0.808SS**  91.513893.3-90.9-155.1176.400112.9
398L29Very low33.1Very low135 Ų135144.5 Ų144.571%0.70781%0.809SS**  cis-156.2-168.413.9-95156.3000107.6
399P40.3Very low33.4Very low101 Ų101144.2 Ų144.266%0.65680%0.802SS**  cis-131163.8-45.937.1-21.6000115.2
400S28.1Very low33.8Very low111 Ų111147 Ų14778%0.77680%0.803SS**  trans42118145.868.30000123.1
401S29.1Very low34Very low128 Ų128146.5 Ų146.590%0.89580%0.8SS**  -154155.8125.6-164.90000111.8
402K32.3Very low34Very low209 Ų209147.2 Ų147.291%0.90980%0.803SS**  trans-87148.9-168-57.2169.3-179.6176.20112.6
403G30.1Very low34.2Very low77 Ų77146.2 Ų146.279%0.79480%0.803SS**  trans166.9113.8164.700000115.2
404D31.8Very low34.3Very low162 Ų162143.9 Ų143.987%0.86680%0.798SS**  trans-16.7124.6178.2-62.6-34.8000120.5
405R32.6Very low34.9Very low240 Ų240146.4 Ų146.491%0.90681%0.807SS**  trans-143.6104.6142.9-90.3-169.6169.6169.9-3.6110.6K407R405-K407 PolarHBondContact O-N 3.47Å
406T35.8Very low36Very low150 Ų150142.3 Ų142.392%0.9280%0.796SS**  trans-69109.3164.933.30000109.6
407K35.3Very low37.5Very low183 Ų183141.4 Ų141.480%0.79680%0.803SS**  trans-81.8126.6166.6-70-177.6178.1-179.70108.8R405R405-K407 PolarHBondContact O-N 3.47Å
408S27.5Very low39.4Very low122 Ų122138.9 Ų138.985%0.85380%0.799SS**  trans-88.7139150.5-177.50000107.6
409L41.1Very low42.1Very low134 Ų134135.8 Ų135.870%0.70279%0.786SS**  trans-150.7140.5177.6-117.2168.3000107.3
410D40Very low44Very low160 Ų160136.8 Ų136.886%0.85678%0.783SS**  trans-61.7140.1176.4-55.7-87.7000111.3
411S38.4Very low46.7Very low108 Ų108137.9 Ų137.976%0.75578%0.775SS**  trans-147.8141.2163.362.90000110.8
412D39.3Very low49.2Very low157 Ų157136.2 Ų136.284%0.8475%0.754SS**  trans-51.1139.7-172.6-58.1-91.1000114.9S414D412-S414 VanDerWaalsContact C-N 3.26Å; D412-S414 PolarHBondContact O-N 3.16Å
413I41.2Very low51.6Low176 Ų176132.7 Ų132.790%0.90374%0.736SS**  trans-74.385.6168-54.7178.2000108.2
414S38.9Very low54.5Low103 Ų103133.6 Ų133.672%0.7272%0.72SS**  trans-65.1143.4161.4-172.90000109.8D412 G416D412-S414 VanDerWaalsContact C-N 3.26Å; D412-S414 PolarHBondContact O-N 3.16Å; S414-G416 PolarHBondContact O-N 3.37Å
415D48Very low57.2Low173 Ų173131.5 Ų131.593%0.92571%0.705SS**  trans-78.367.7-176.8-155.79.7000110.7
416G59.1Low59.8Low46 Ų46124.8 Ų124.847%0.47469%0.691SS.*PPolyproline II helixtrans-95.2160.4-17700000113.6S414 V418S414-G416 PolarHBondContact O-N 3.37Å; G416-V418 PolarHBondContact O-N 3.31Å
417P62.7Low62.4Low131 Ų131123.2 Ų123.285%0.85167%0.671SS**PPolyproline II helixtrans-65.3124.6176.327.6-33.7000110.8T419P417-T419 PolarHBondContact O-N 2.97Å
418V67.7Low65Low110 Ų110119.5 Ų119.567%0.66766%0.66SS**PPolyproline II helixtrans-48.7125.9-176.9-179.50000111.4G416 E422G416-V418 PolarHBondContact O-N 3.31Å; V418-E422 HydrophobicContact CG1-CB 4.04Å
419T84.4Confident67.9Low71 Ų71116.6 Ų116.644%0.43664%0.644SS.*PPolyproline II helixtrans-72.8153.4-179.670.70000111.3P417 H421 E422 Y423P417-T419 PolarHBondContact O-N 2.97Å; T419-H421 PolarHBondContact O-N 3.33Å; T419-H421 VanDerWaalsContact O-N 3.1Å; T419-E422 WeakPolarHBondContact CA-OE2 3.41Å; T419-E422 VanDerWaalsContact CB-OE2 3.22Å; T419-E422 WeakPolarHBondContact CB-OE2 3.23Å; T419-E422 VanDerWaalsContact CG2-OE2 3.31Å; T419-E422 WeakPolarHBondContact CG2-OE2 3.35Å; T419-E422 PolarHBondContact N-OE2 3.04Å; T419-E422 PolarHBondContact O-N 3.45Å; T419-E422 WeakPolarHBondContact OG1-CG 3.22Å; T419-E422 PolarHBondContact OG1-N 2.89Å; T419-E422 PolarHBondContact OG1-OE2 3.27Å; T419-Y423 PolarHBondContact O-N 3.41Å
420M81.6Confident70.2Confident122 Ų122114.8 Ų114.860%0.60163%0.634SS**Hα-helixtrans-59.6-23.1175-17162.6-169.200112.6Y423 M424M420-Y423 HydrophobicContact CE-CD1 4.29Å; M420-Y423 HydrophobicContact SD-CD1 4.13Å; M420-M424 HydrophobicContact CE-CE 3.57Å; M420-M424 HydrophobicContact CE-CG 4.3Å; M420-M424 WeakPolarHBondContact O-CG 3.23Å; M420-M424 PolarHBondContact O-N 2.92Å; M420-M424 VanDerWaalsContact O-N 3.15Å
421H83.1Confident72.7Confident133 Ų133110.4 Ų110.462%0.61661%0.613SS**Hα-helixtrans-72.8-53.2177.5-166.132.4000111.2T419 Y423 M424 E425T419-H421 PolarHBondContact O-N 3.33Å; T419-H421 VanDerWaalsContact O-N 3.1Å; H421-Y423 VanDerWaalsContact C-N 3.27Å; H421-Y423 PolarHBondContact O-N 2.99Å; H421-M424 WeakPolarHBondContact O-CA 3.35Å; H421-M424 PolarHBondContact O-N 3.33Å; H421-E425 PolarHBondContact O-N 2.89Å
422E82.8Confident75.2Confident94 Ų94108.2 Ų108.244%0.43960%0.602SS.*Hα-helixtrans-57.3-40.6175.2-66.4158.9119.100111.4V418 T419 M424 E425 V426V418-E422 HydrophobicContact CG1-CB 4.04Å; T419-E422 WeakPolarHBondContact CA-OE2 3.41Å; T419-E422 VanDerWaalsContact CB-OE2 3.22Å; T419-E422 WeakPolarHBondContact CB-OE2 3.23Å; T419-E422 VanDerWaalsContact CG2-OE2 3.31Å; T419-E422 WeakPolarHBondContact CG2-OE2 3.35Å; T419-E422 PolarHBondContact N-OE2 3.04Å; T419-E422 PolarHBondContact O-N 3.45Å; T419-E422 WeakPolarHBondContact OG1-CG 3.22Å; T419-E422 PolarHBondContact OG1-N 2.89Å; T419-E422 PolarHBondContact OG1-OE2 3.27Å; E422-M424 PolarHBondContact O-N 3.36Å; E422-E425 PolarHBondContact O-N 2.86Å; E422-V426 WeakPolarHBondContact O-CG2 3.38Å; E422-V426 PolarHBondContact O-N 3.4Å
423Y81.9Confident77.5Confident135 Ų135103.6 Ų103.653%0.52958%0.582SS.*Hα-helixtrans-61.9-39.3174.7-179.7-105.1000112.8T419 M420 H421 K427T419-Y423 PolarHBondContact O-N 3.41Å; M420-Y423 HydrophobicContact CE-CD1 4.29Å; M420-Y423 HydrophobicContact SD-CD1 4.13Å; H421-Y423 VanDerWaalsContact C-N 3.27Å; H421-Y423 PolarHBondContact O-N 2.99Å; Y423-K427 VanDerWaalsContact O-CB 3.24Å; Y423-K427 WeakPolarHBondContact O-CB 3.39Å; Y423-K427 PolarHBondContact O-N 3.38Å
424M90.8Very high79.9Confident96 Ų9699.7 Ų99.747%0.47356%0.56SS.*Hα-helixtrans-68.5-39.1173.3-75.6-159.1-169.800112.5M420 H421 E422 K427 N428M420-M424 HydrophobicContact CE-CE 3.57Å; M420-M424 HydrophobicContact CE-CG 4.3Å; M420-M424 WeakPolarHBondContact O-CG 3.23Å; M420-M424 PolarHBondContact O-N 2.92Å; M420-M424 VanDerWaalsContact O-N 3.15Å; H421-M424 WeakPolarHBondContact O-CA 3.35Å; H421-M424 PolarHBondContact O-N 3.33Å; E422-M424 PolarHBondContact O-N 3.36Å; M424-K427 PolarHBondContact O-N 2.89Å; M424-N428 WeakPolarHBondContact O-CB 3.39Å; M424-N428 PolarHBondContact O-N 3.32Å; M424-N428 PolarHBondContact O-ND2 3.39Å
425E89.3Confident82.5Confident117 Ų11797.6 Ų97.655%0.54755%0.548SS..Hα-helixtrans-63.7-46.9176.4-67.6-16414100111.8H421 E422 K427 N428 A429H421-E425 PolarHBondContact O-N 2.89Å; E422-E425 PolarHBondContact O-N 2.86Å; E425-K427 VanDerWaalsContact C-N 3.32Å; E425-K427 PolarHBondContact O-N 3.38Å; E425-N428 PolarHBondContact O-N 3.47Å; E425-A429 WeakPolarHBondContact O-CB 3.42Å; E425-A429 PolarHBondContact O-N 3.07Å
426V87.7Confident84.7Confident99 Ų9995.9 Ų95.960%0.653%0.533SS*.Hα-helixtrans-61.4-39.8175.1172.60000111.3E422 A429 L430E422-V426 WeakPolarHBondContact O-CG2 3.38Å; E422-V426 PolarHBondContact O-N 3.4Å; V426-A429 PolarHBondContact O-N 2.79Å; V426-L430 VanDerWaalsContact O-CB 3.29Å; V426-L430 WeakPolarHBondContact O-CB 3.36Å; V426-L430 PolarHBondContact O-N 3.41Å
427K89.1Confident86.3Confident117 Ų11798 Ų9851%0.50953%0.532SS..Hα-helixtrans-64.7-39.6175.4-176.9179.9178-1770112.7Y423 M424 E425 L430 T431Y423-K427 VanDerWaalsContact O-CB 3.24Å; Y423-K427 WeakPolarHBondContact O-CB 3.39Å; Y423-K427 PolarHBondContact O-N 3.38Å; M424-K427 PolarHBondContact O-N 2.89Å; E425-K427 VanDerWaalsContact C-N 3.32Å; E425-K427 PolarHBondContact O-N 3.38Å; K427-L430 PolarHBondContact O-N 3.15Å; K427-T431 PolarHBondContact O-N 3.47Å; K427-T431 PolarHBondContact O-OG1 2.9Å
428N90.6Very high87.7Confident105 Ų10598.4 Ų98.456%0.56152%0.523SS*.Hα-helixtrans-69.6-39.7176.6-68.1-19.8000111.2M424 E425 T431 A432M424-N428 WeakPolarHBondContact O-CB 3.39Å; M424-N428 PolarHBondContact O-N 3.32Å; M424-N428 PolarHBondContact O-ND2 3.39Å; E425-N428 PolarHBondContact O-N 3.47Å; N428-T431 PolarHBondContact O-OG1 3.22Å; N428-A432 WeakPolarHBondContact O-CB 3.21Å; N428-A432 PolarHBondContact O-N 3.24Å
429A89.2Confident89Confident62 Ų62100 Ų10051%0.51252%0.523SS..Hα-helixtrans-64.8-40.2172.900000112.4E425 V426 A432 S433E425-A429 WeakPolarHBondContact O-CB 3.42Å; E425-A429 PolarHBondContact O-N 3.07Å; V426-A429 PolarHBondContact O-N 2.79Å; A429-A432 PolarHBondContact O-N 2.68Å; A429-S433 WeakPolarHBondContact O-CB 3.43Å; A429-S433 PolarHBondContact O-N 3.38Å
430L89.4Confident89.2Confident95 Ų95102 Ų10250%0.49753%0.53SS..Hα-helixtrans-62.7-52.2176.8178.860.4000111.2V426 K427 A432 S433 E434V426-L430 VanDerWaalsContact O-CB 3.29Å; V426-L430 WeakPolarHBondContact O-CB 3.36Å; V426-L430 PolarHBondContact O-N 3.41Å; K427-L430 PolarHBondContact O-N 3.15Å; L430-A432 VanDerWaalsContact C-N 3.31Å; L430-A432 PolarHBondContact O-N 2.94Å; L430-S433 CarbonylContact O-C 3.52Å; L430-S433 WeakPolarHBondContact O-CA 3.36Å; L430-S433 VanDerWaalsContact O-CB 3.27Å; L430-S433 WeakPolarHBondContact O-CB 3.48Å; L430-S433 PolarHBondContact O-N 2.84Å; L430-E434 HydrophobicContact CD1-CG 4.4Å; L430-E434 WeakPolarHBondContact O-CG 3.35Å; L430-E434 PolarHBondContact O-N 3.14Å
431T91.6Very high89.7Confident68 Ų68101 Ų10142%0.41753%0.527SS..Hα-helixtrans-63.9-33.6178.847.30000113.1K427 N428 A435K427-T431 PolarHBondContact O-N 3.47Å; K427-T431 PolarHBondContact O-OG1 2.9Å; N428-T431 PolarHBondContact O-OG1 3.22Å; T431-A435 WeakPolarHBondContact O-CB 3.46Å; T431-A435 PolarHBondContact O-N 3.11Å; T431-A435 VanDerWaalsContact O-N 3.08Å
432A91.9Very high90.3Very high63 Ų63101 Ų10152%0.52153%0.525SS..Hα-helixtrans-66-36.2169.600000112.7N428 A429 L430 K436N428-A432 WeakPolarHBondContact O-CB 3.21Å; N428-A432 PolarHBondContact O-N 3.24Å; A429-A432 PolarHBondContact O-N 2.68Å; L430-A432 VanDerWaalsContact C-N 3.31Å; L430-A432 PolarHBondContact O-N 2.94Å; A432-K436 WeakPolarHBondContact O-CB 3.48Å; A432-K436 PolarHBondContact O-N 3.15Å
433S86.1Confident90.9Very high60 Ų6098.5 Ų98.542%0.4252%0.52SS..Hα-helixtrans-68.3-45.2174.7-166.10000111.8A429 L430 A435 K436 I437A429-S433 WeakPolarHBondContact O-CB 3.43Å; A429-S433 PolarHBondContact O-N 3.38Å; L430-S433 CarbonylContact O-C 3.52Å; L430-S433 WeakPolarHBondContact O-CA 3.36Å; L430-S433 VanDerWaalsContact O-CB 3.27Å; L430-S433 WeakPolarHBondContact O-CB 3.48Å; L430-S433 PolarHBondContact O-N 2.84Å; S433-A435 PolarHBondContact O-N 3.05Å; S433-K436 CarbonylContact O-C 3.55Å; S433-K436 WeakPolarHBondContact O-CB 3.35Å; S433-K436 PolarHBondContact O-N 3.44Å; S433-K436 VanDerWaalsContact O-N 3.1Å; S433-I437 WeakPolarHBondContact O-CG1 3.38Å; S433-I437 PolarHBondContact O-N 3.21Å
434E91.6Very high91.2Very high94 Ų9496.8 Ų96.844%0.43952%0.521SS..Hα-helixtrans-57.8-46.3175.9-70.8172.7155.700111.8L430 K436 I437 Q438L430-E434 HydrophobicContact CD1-CG 4.4Å; L430-E434 WeakPolarHBondContact O-CG 3.35Å; L430-E434 PolarHBondContact O-N 3.14Å; E434-K436 VanDerWaalsContact C-N 3.31Å; E434-K436 PolarHBondContact O-N 3Å; E434-I437 PolarHBondContact O-N 3.35Å; E434-Q438 WeakPolarHBondContact O-CG 3.48Å; E434-Q438 PolarHBondContact O-N 2.94Å
435A93.9Very high91.3Very high58 Ų5897.1 Ų97.148%0.47952%0.524SS..Hα-helixtrans-60.4-39.717500000112.2T431 S433 Q438 Q439T431-A435 WeakPolarHBondContact O-CB 3.46Å; T431-A435 PolarHBondContact O-N 3.11Å; T431-A435 VanDerWaalsContact O-N 3.08Å; S433-A435 PolarHBondContact O-N 3.05Å; A435-Q438 PolarHBondContact O-N 3.08Å; A435-Q439 PolarHBondContact O-N 3.37Å
436K93.6Very high91.5Very high137 Ų13795.8 Ų95.860%0.59652%0.521SS*.Hα-helixtrans-70-35.4177.1-166.7171.4-175.6176.60112.5A432 S433 E434 Q439 L440A432-K436 WeakPolarHBondContact O-CB 3.48Å; A432-K436 PolarHBondContact O-N 3.15Å; S433-K436 CarbonylContact O-C 3.55Å; S433-K436 WeakPolarHBondContact O-CB 3.35Å; S433-K436 PolarHBondContact O-N 3.44Å; S433-K436 VanDerWaalsContact O-N 3.1Å; E434-K436 VanDerWaalsContact C-N 3.31Å; E434-K436 PolarHBondContact O-N 3Å; K436-Q439 PolarHBondContact O-N 2.89Å; K436-L440 HydrophobicContact CG-CD1 4.47Å; K436-L440 WeakPolarHBondContact O-CG 3.39Å; K436-L440 PolarHBondContact O-N 3.06Å
437I94Very high91.7Very high90 Ų9095.9 Ų95.946%0.46252%0.517SS..Hα-helixtrans-64.1-46172.5-69.8163.9000110.1S433 E434 Q439 L440 L441S433-I437 WeakPolarHBondContact O-CG1 3.38Å; S433-I437 PolarHBondContact O-N 3.21Å; E434-I437 PolarHBondContact O-N 3.35Å; I437-Q439 VanDerWaalsContact C-N 3.32Å; I437-Q439 PolarHBondContact O-N 2.84Å; I437-L440 PolarHBondContact O-N 2.83Å; I437-L441 HydrophobicContact CG2-CD1 3.99Å; I437-L441 HydrophobicContact CG2-CG 4.36Å; I437-L441 WeakPolarHBondContact O-CG 3.44Å; I437-L441 PolarHBondContact O-N 2.78Å
438Q92.2Very high91.9Very high140 Ų14092.5 Ų92.565%0.65451%0.508SS*.Hα-helixtrans-60.6-40175.4-70.3-178.41100112.4E434 A435 L441 K442E434-Q438 WeakPolarHBondContact O-CG 3.48Å; E434-Q438 PolarHBondContact O-N 2.94Å; A435-Q438 PolarHBondContact O-N 3.08Å; Q438-L441 PolarHBondContact O-N 3.34Å; Q438-K442 PolarHBondContact O-N 3.03Å
439Q94.4Very high92Very high145 Ų14591.7 Ų91.768%0.67850%0.504SS*.Hα-helixtrans-64-41.1175.3-170.7179.512.100112.4A435 K436 I437 A443A435-Q439 PolarHBondContact O-N 3.37Å; K436-Q439 PolarHBondContact O-N 2.89Å; I437-Q439 VanDerWaalsContact C-N 3.32Å; I437-Q439 PolarHBondContact O-N 2.84Å; Q439-A443 WeakPolarHBondContact O-CB 3.49Å; Q439-A443 PolarHBondContact O-N 2.92Å
440L89.4Confident92.3Very high111 Ų11195.1 Ų95.158%0.58151%0.51SS*.Hα-helixtrans-70.2-38.7177.6-73.6169.7000112.6K436 I437 A443 N444K436-L440 HydrophobicContact CG-CD1 4.47Å; K436-L440 WeakPolarHBondContact O-CG 3.39Å; K436-L440 PolarHBondContact O-N 3.06Å; I437-L440 PolarHBondContact O-N 2.83Å; L440-A443 PolarHBondContact O-N 3.03Å; L440-N444 WeakPolarHBondContact O-CB 3.41Å; L440-N444 PolarHBondContact O-N 3.36Å
441L92Very high92.4Very high101 Ų10195.6 Ų95.653%0.52951%0.512SS..Hα-helixtrans-59.8-49.7173.8-73.9170.7000110.7I437 Q438 A443 N444 D445I437-L441 HydrophobicContact CG2-CD1 3.99Å; I437-L441 HydrophobicContact CG2-CG 4.36Å; I437-L441 WeakPolarHBondContact O-CG 3.44Å; I437-L441 PolarHBondContact O-N 2.78Å; Q438-L441 PolarHBondContact O-N 3.34Å; L441-A443 PolarHBondContact O-N 2.85Å; L441-N444 WeakPolarHBondContact O-CB 3.3Å; L441-N444 PolarHBondContact O-N 3.27Å; L441-N444 VanDerWaalsContact O-N 3.08Å; L441-D445 PolarHBondContact O-N 2.96Å
442K94.7Very high92.6Very high134 Ų13499.1 Ų99.158%0.58352%0.518SS*.Hα-helixtrans-58.5-45.7176.4-177.5-179.6174-175.80112.2Q438 N444 D445 D446Q438-K442 PolarHBondContact O-N 3.03Å; K442-N444 PolarHBondContact O-N 2.78Å; K442-D445 PolarHBondContact O-N 2.92Å; K442-D445 VanDerWaalsContact O-N 3.16Å; K442-D446 PolarHBondContact O-N 2.96Å
443A94.4Very high92.7Very high41 Ų41101.9 Ų101.934%0.33952%0.523SS..Hα-helixtrans-61.6-32.5177.800000112.4Q439 L440 L441 L447Q439-A443 WeakPolarHBondContact O-CB 3.49Å; Q439-A443 PolarHBondContact O-N 2.92Å; L440-A443 PolarHBondContact O-N 3.03Å; L441-A443 PolarHBondContact O-N 2.85Å; A443-L447 WeakPolarHBondContact O-CB 3.11Å; A443-L447 WeakPolarHBondContact O-CD1 3.4Å; A443-L447 PolarHBondContact O-N 3.25Å
444N89.8Confident93Very high100 Ų100104.2 Ų104.254%0.53553%0.529SS..Hα-helixtrans-72.7-35175.8-167.546.1000112.6L440 L441 K442 S448L440-N444 WeakPolarHBondContact O-CB 3.41Å; L440-N444 PolarHBondContact O-N 3.36Å; L441-N444 WeakPolarHBondContact O-CB 3.3Å; L441-N444 PolarHBondContact O-N 3.27Å; L441-N444 VanDerWaalsContact O-N 3.08Å; K442-N444 PolarHBondContact O-N 2.78Å; N444-S448 VanDerWaalsContact O-CB 3.28Å; N444-S448 WeakPolarHBondContact O-CB 3.43Å; N444-S448 PolarHBondContact O-N 2.68Å; N444-S448 PolarHBondContact O-OG 2.84Å
445D92.3Very high93Very high103 Ų103105.4 Ų105.455%0.55153%0.534SS*.Hα-helixtrans-65.2-47.5170.4-67-33000110.9L441 K442 L447 S448 D449L441-D445 PolarHBondContact O-N 2.96Å; K442-D445 PolarHBondContact O-N 2.92Å; K442-D445 VanDerWaalsContact O-N 3.16Å; D445-L447 PolarHBondContact O-N 3.31Å; D445-S448 WeakPolarHBondContact O-CB 3.29Å; D445-S448 PolarHBondContact O-N 3.36Å; D445-S448 VanDerWaalsContact O-N 3.09Å; D445-D449 PolarHBondContact O-N 3.11Å
446D92.9Very high93.1Very high89 Ų89109.9 Ų109.948%0.47654%0.543SS..Hα-helixtrans-57-47.6176.9-69-33.7000110.9K442 S448 D449 E450K442-D446 PolarHBondContact O-N 2.96Å; D446-S448 PolarHBondContact O-N 3.49Å; D446-D449 PolarHBondContact O-N 2.82Å; D446-E450 PolarHBondContact O-N 2.89Å; D446-E450 VanDerWaalsContact O-N 3.1Å
447L92.8Very high93.1Very high101 Ų101109.9 Ų109.953%0.52954%0.543SS..Hα-helixtrans-64.7-34.5174.5-96.580000113.2A443 D445 D449 E450 L451A443-L447 WeakPolarHBondContact O-CB 3.11Å; A443-L447 WeakPolarHBondContact O-CD1 3.4Å; A443-L447 PolarHBondContact O-N 3.25Å; D445-L447 PolarHBondContact O-N 3.31Å; L447-D449 VanDerWaalsContact C-N 3.31Å; L447-D449 PolarHBondContact O-N 2.95Å; L447-E450 PolarHBondContact O-N 2.93Å; L447-L451 WeakPolarHBondContact O-CB 3.44Å; L447-L451 WeakPolarHBondContact O-CG 3.44Å; L447-L451 PolarHBondContact O-N 3.02Å
448S92.2Very high93Very high45 Ų45109.9 Ų109.932%0.31554%0.543SS..Hα-helixtrans-67.6-33.5178.8-66.50000112.1N444 D445 D446 R452N444-S448 VanDerWaalsContact O-CB 3.28Å; N444-S448 WeakPolarHBondContact O-CB 3.43Å; N444-S448 PolarHBondContact O-N 2.68Å; N444-S448 PolarHBondContact O-OG 2.84Å; D445-S448 WeakPolarHBondContact O-CB 3.29Å; D445-S448 PolarHBondContact O-N 3.36Å; D445-S448 VanDerWaalsContact O-N 3.09Å; D446-S448 PolarHBondContact O-N 3.49Å; S448-R452 WeakPolarHBondContact O-CB 3.39Å; S448-R452 PolarHBondContact O-N 3.36Å; S448-R452 VanDerWaalsContact O-N 3.09Å
449D94.4Very high93.1Very high89 Ų89109.4 Ų109.448%0.47654%0.541SS..Hα-helixtrans-75.5-37.3173.6-87.320.4000112.2D445 D446 L447 R452 L453D445-D449 PolarHBondContact O-N 3.11Å; D446-D449 PolarHBondContact O-N 2.82Å; L447-D449 VanDerWaalsContact C-N 3.31Å; L447-D449 PolarHBondContact O-N 2.95Å; D449-R452 PolarHBondContact O-N 3.31Å; D449-R452 IonicContact OD1-CZ 3.15Å; D449-R452 IonicContact OD1-NH1 3.09Å; D449-R452 PolarHBondContact OD1-NH1 3.41Å; D449-R452 IonicContact OD1-NH2 2.71Å; D449-R452 PolarHBondContact OD1-NH2 3.43Å; D449-R452 IonicContact OD2-NH1 2.72Å; D449-L453 WeakPolarHBondContact O-CB 3.46Å; D449-L453 PolarHBondContact O-N 3.08Å
450E94.8Very high93Very high134 Ų134106 Ų10663%0.62653%0.533SS*.Hα-helixtrans-60.4-44.1169.4-73.9-158.3152.500112.2D446 L447 R452 L453 M454D446-E450 PolarHBondContact O-N 2.89Å; D446-E450 VanDerWaalsContact O-N 3.1Å; L447-E450 PolarHBondContact O-N 2.93Å; E450-R452 VanDerWaalsContact C-N 3.34Å; E450-R452 PolarHBondContact O-N 3.39Å; E450-L453 PolarHBondContact O-N 3.42Å; E450-M454 WeakPolarHBondContact O-CB 3.36Å; E450-M454 WeakPolarHBondContact O-CG 3.39Å; E450-M454 PolarHBondContact O-N 3.43Å
451L90.9Very high93.2Very high105 Ų105104.9 Ų104.955%0.5553%0.527SS..Hα-helixtrans-61.4-41.3175.4-77.2171.7000111.8L447 L453 M454 Q455L447-L451 WeakPolarHBondContact O-CB 3.44Å; L447-L451 WeakPolarHBondContact O-CG 3.44Å; L447-L451 PolarHBondContact O-N 3.02Å; L451-L453 VanDerWaalsContact C-N 3.34Å; L451-L453 PolarHBondContact O-N 3.1Å; L451-M454 PolarHBondContact O-N 3.12Å; L451-Q455 WeakPolarHBondContact O-CB 3.48Å; L451-Q455 VanDerWaalsContact O-CG 3.27Å; L451-Q455 WeakPolarHBondContact O-CG 3.46Å; L451-Q455 PolarHBondContact O-N 3.19Å
452R95.4Very high93.2Very high142 Ų142106.1 Ų106.154%0.53653%0.53SS..Hα-helixtrans-64.6-38.5176.1-158.9-177.8-53.6125.915.4111.8S448 D449 E450 K456S448-R452 WeakPolarHBondContact O-CB 3.39Å; S448-R452 PolarHBondContact O-N 3.36Å; S448-R452 VanDerWaalsContact O-N 3.09Å; D449-R452 PolarHBondContact O-N 3.31Å; D449-R452 IonicContact OD1-CZ 3.15Å; D449-R452 IonicContact OD1-NH1 3.09Å; D449-R452 PolarHBondContact OD1-NH1 3.41Å; D449-R452 IonicContact OD1-NH2 2.71Å; D449-R452 PolarHBondContact OD1-NH2 3.43Å; D449-R452 IonicContact OD2-NH1 2.72Å; E450-R452 VanDerWaalsContact C-N 3.34Å; E450-R452 PolarHBondContact O-N 3.39Å; R452-K456 WeakPolarHBondContact O-CB 3.4Å; R452-K456 PolarHBondContact O-N 3.37Å
453L95.4Very high93Very high121 Ų121103 Ų10363%0.63453%0.525SS*.Hα-helixtrans-67.1-43174.6-176.762.6000111.9D449 E450 L451 K456 K457D449-L453 WeakPolarHBondContact O-CB 3.46Å; D449-L453 PolarHBondContact O-N 3.08Å; E450-L453 PolarHBondContact O-N 3.42Å; L451-L453 VanDerWaalsContact C-N 3.34Å; L451-L453 PolarHBondContact O-N 3.1Å; L453-K456 PolarHBondContact O-N 2.83Å; L453-K457 WeakPolarHBondContact O-CB 3.49Å; L453-K457 PolarHBondContact O-N 3Å
454M92.1Very high92.8Very high109 Ų109106.2 Ų106.254%0.53753%0.534SS..Hα-helixtrans-60.5-45.7174.3-79.3-114.257.500112E450 L451 K457 L458E450-M454 WeakPolarHBondContact O-CB 3.36Å; E450-M454 WeakPolarHBondContact O-CG 3.39Å; E450-M454 PolarHBondContact O-N 3.43Å; L451-M454 PolarHBondContact O-N 3.12Å; M454-K457 PolarHBondContact O-N 3Å; M454-L458 WeakPolarHBondContact O-CG 3.44Å; M454-L458 PolarHBondContact O-N 3.38Å
455Q91.4Very high92.8Very high119 Ų119105.2 Ų105.256%0.55653%0.528SS*.Hα-helixtrans-60.3-45.8175.2-73.9171.41.800111.9L451 K457 L458 Q459L451-Q455 WeakPolarHBondContact O-CB 3.48Å; L451-Q455 VanDerWaalsContact O-CG 3.27Å; L451-Q455 WeakPolarHBondContact O-CG 3.46Å; L451-Q455 PolarHBondContact O-N 3.19Å; Q455-K457 VanDerWaalsContact C-N 3.32Å; Q455-K457 PolarHBondContact O-N 3.46Å; Q455-L458 PolarHBondContact O-N 2.62Å; Q455-Q459 WeakPolarHBondContact O-CG 3.38Å; Q455-Q459 PolarHBondContact O-N 2.9Å
456K95.8Very high92.7Very high152 Ų152103.9 Ų103.966%0.66152%0.524SS*.Hα-helixtrans-61.3-39.2176.1-172.2175.2-178.5178.10112.1R452 L453 Q459 S460R452-K456 WeakPolarHBondContact O-CB 3.4Å; R452-K456 PolarHBondContact O-N 3.37Å; L453-K456 PolarHBondContact O-N 2.83Å; K456-Q459 PolarHBondContact O-N 2.62Å; K456-S460 PolarHBondContact O-N 2.89Å
457K93.4Very high92.5Very high137 Ų137102.3 Ų102.360%0.59652%0.52SS*.Hα-helixtrans-68.1-39.5175.9-166.6172.6-176.7177.70112.1L453 M454 Q455 S460 L461L453-K457 WeakPolarHBondContact O-CB 3.49Å; L453-K457 PolarHBondContact O-N 3Å; M454-K457 PolarHBondContact O-N 3Å; Q455-K457 VanDerWaalsContact C-N 3.32Å; Q455-K457 PolarHBondContact O-N 3.46Å; K457-S460 PolarHBondContact O-N 3Å; K457-L461 HydrophobicContact CG-CD1 4.37Å; K457-L461 WeakPolarHBondContact O-CG 3.39Å; K457-L461 PolarHBondContact O-N 3.02Å
458L93.2Very high92.2Very high90 Ų90101.5 Ų101.547%0.47152%0.516SS..Hα-helixtrans-62.7-44.5173.4-77.7167.7000112.1M454 Q455 S460 L461 Q462M454-L458 WeakPolarHBondContact O-CG 3.44Å; M454-L458 PolarHBondContact O-N 3.38Å; Q455-L458 PolarHBondContact O-N 2.62Å; L458-S460 VanDerWaalsContact C-N 3.33Å; L458-S460 PolarHBondContact O-N 3.23Å; L458-L461 PolarHBondContact O-N 3.39Å; L458-Q462 WeakPolarHBondContact O-CB 3.42Å; L458-Q462 VanDerWaalsContact O-CG 3.29Å; L458-Q462 WeakPolarHBondContact O-CG 3.33Å; L458-Q462 PolarHBondContact O-N 3.45Å
459Q92.7Very high91.7Very high130 Ų130107.3 Ų107.361%0.60753%0.531SS*.Hα-helixtrans-60.6-41.5174.8-73.3178.4-1000112.1Q455 K456 Q462 S463Q455-Q459 WeakPolarHBondContact O-CG 3.38Å; Q455-Q459 PolarHBondContact O-N 2.9Å; K456-Q459 PolarHBondContact O-N 2.62Å; Q459-Q462 PolarHBondContact O-N 3.19Å; Q459-S463 PolarHBondContact O-N 2.88Å; Q459-S463 PolarHBondContact O-OG 3.19Å
460S93.9Very high91.1Very high72 Ų72112 Ų11250%0.50354%0.542SS..Hα-helixtrans-63.6-41175.4-166.30000112.5K456 K457 L458 Q462 S463 E464K456-S460 PolarHBondContact O-N 2.89Å; K457-S460 PolarHBondContact O-N 3Å; L458-S460 VanDerWaalsContact C-N 3.33Å; L458-S460 PolarHBondContact O-N 3.23Å; S460-Q462 VanDerWaalsContact C-N 3.34Å; S460-S463 PolarHBondContact O-OG 3.31Å; S460-E464 WeakPolarHBondContact O-CB 3.22Å; S460-E464 PolarHBondContact O-N 3.06Å
461L92.5Very high90.3Very high89 Ų89110.7 Ų110.747%0.46654%0.536SS..Hα-helixtrans-70.7-30.8176.3-71168.6000111.9K457 L458 N465K457-L461 HydrophobicContact CG-CD1 4.37Å; K457-L461 WeakPolarHBondContact O-CG 3.39Å; K457-L461 PolarHBondContact O-N 3.02Å; L458-L461 PolarHBondContact O-N 3.39Å; L461-N465 WeakPolarHBondContact O-CB 3.37Å; L461-N465 PolarHBondContact O-N 3.42Å
462Q91.4Very high89.4Confident126 Ų126110.2 Ų110.259%0.58954%0.537SS*.Hα-helixtrans-71.1-40.4174.4-75.2172-11.300112.4L458 Q459 S460 N465 T466L458-Q462 WeakPolarHBondContact O-CB 3.42Å; L458-Q462 VanDerWaalsContact O-CG 3.29Å; L458-Q462 WeakPolarHBondContact O-CG 3.33Å; L458-Q462 PolarHBondContact O-N 3.45Å; Q459-Q462 PolarHBondContact O-N 3.19Å; S460-Q462 VanDerWaalsContact C-N 3.34Å; Q462-N465 PolarHBondContact O-N 3.28Å; Q462-T466 WeakPolarHBondContact O-CB 3.47Å; Q462-T466 WeakPolarHBondContact O-CG2 3.08Å; Q462-T466 PolarHBondContact O-N 2.9Å; Q462-T466 PolarHBondContact O-OG1 3.27Å
463S90.6Very high88.1Confident69 Ų69107.2 Ų107.248%0.48353%0.534SS..Hα-helixtrans-68.4-37.8174.764.80000111.8Q459 S460 T466 S467Q459-S463 PolarHBondContact O-N 2.88Å; Q459-S463 PolarHBondContact O-OG 3.19Å; S460-S463 PolarHBondContact O-OG 3.31Å; S463-T466 WeakPolarHBondContact CA-OG1 3.37Å; S463-T466 PolarHBondContact O-OG1 3.48Å; S463-T466 VanDerWaalsContact O-OG1 3.08Å; S463-S467 VanDerWaalsContact O-CB 3.32Å; S463-S467 WeakPolarHBondContact O-CB 3.31Å; S463-S467 PolarHBondContact O-N 3.04Å
464E91.7Very high86.5Confident109 Ų109105.6 Ų105.651%0.50953%0.529SS..Hα-helixtrans-64.2-48.2171.4-173.2174.5-161.100111.9S460 T466 S467 L468S460-E464 WeakPolarHBondContact O-CB 3.22Å; S460-E464 PolarHBondContact O-N 3.06Å; E464-T466 VanDerWaalsContact C-N 3.32Å; E464-T466 PolarHBondContact O-N 3.43Å; E464-S467 WeakPolarHBondContact O-CB 3.35Å; E464-S467 PolarHBondContact O-N 3.25Å; E464-S467 VanDerWaalsContact O-N 3.16Å; E464-L468 HydrophobicContact CG-CD1 4.06Å; E464-L468 WeakPolarHBondContact O-CG 3.38Å; E464-L468 PolarHBondContact O-N 3.38Å
465N88.2Confident84.8Confident78 Ų78105.7 Ų105.742%0.41753%0.532SS..Hα-helixtrans-63.7-36.6179.9-155.4-87.6000112.2L461 Q462 R469L461-N465 WeakPolarHBondContact O-CB 3.37Å; L461-N465 PolarHBondContact O-N 3.42Å; Q462-N465 PolarHBondContact O-N 3.28Å; N465-R469 WeakPolarHBondContact O-CB 3.34Å; N465-R469 WeakPolarHBondContact O-CD 3.28Å; N465-R469 WeakPolarHBondContact O-CG 3.4Å; N465-R469 PolarHBondContact O-N 2.88Å; N465-R469 PolarHBondContact OD1-NE 3.34Å
466T90.6Very high82.9Confident75 Ų75104.9 Ų104.946%0.4654%0.535SS..Hα-helixtrans-72.9-33.6174.349.80000112.6Q462 S463 E464 R470Q462-T466 WeakPolarHBondContact O-CB 3.47Å; Q462-T466 WeakPolarHBondContact O-CG2 3.08Å; Q462-T466 PolarHBondContact O-N 2.9Å; Q462-T466 PolarHBondContact O-OG1 3.27Å; S463-T466 WeakPolarHBondContact CA-OG1 3.37Å; S463-T466 PolarHBondContact O-OG1 3.48Å; S463-T466 VanDerWaalsContact O-OG1 3.08Å; E464-T466 VanDerWaalsContact C-N 3.32Å; E464-T466 PolarHBondContact O-N 3.43Å; T466-R470 VanDerWaalsContact O-CG 3.32Å; T466-R470 WeakPolarHBondContact O-CG 3.49Å; T466-R470 PolarHBondContact O-N 3.08Å
467S89.2Confident80.5Confident57 Ų57106.9 Ų106.940%0.39954%0.54SS..Hα-helixtrans-63.9-49170.7-170.10000111.9S463 E464 R469 R470 Q471S463-S467 VanDerWaalsContact O-CB 3.32Å; S463-S467 WeakPolarHBondContact O-CB 3.31Å; S463-S467 PolarHBondContact O-N 3.04Å; E464-S467 WeakPolarHBondContact O-CB 3.35Å; E464-S467 PolarHBondContact O-N 3.25Å; E464-S467 VanDerWaalsContact O-N 3.16Å; S467-R469 PolarHBondContact O-N 2.88Å; S467-R470 WeakPolarHBondContact O-CB 3.41Å; S467-R470 PolarHBondContact O-N 2.97Å; S467-R470 VanDerWaalsContact O-N 3.11Å; S467-Q471 WeakPolarHBondContact O-CG 3.49Å; S467-Q471 PolarHBondContact O-N 3.01Å
468L86.5Confident78.1Confident84 Ų84107.6 Ų107.644%0.4455%0.545SS..Hα-helixtrans-60.9-42.4175.9-70.6169.4000111.9E464 R470 Q471 V472E464-L468 HydrophobicContact CG-CD1 4.06Å; E464-L468 WeakPolarHBondContact O-CG 3.38Å; E464-L468 PolarHBondContact O-N 3.38Å; L468-R470 VanDerWaalsContact C-N 3.33Å; L468-R470 PolarHBondContact O-N 3.16Å; L468-Q471 PolarHBondContact O-N 2.82Å; L468-V472 WeakPolarHBondContact O-CG2 3.37Å; L468-V472 PolarHBondContact O-N 3.02Å
469R81.9Confident75.4Confident166 Ų166109 Ų10963%0.62656%0.558SS**Hα-helixtrans-60.6-40.2173-77169.2-176.9-93.60.1112.3N465 S467 V472 T473N465-R469 WeakPolarHBondContact O-CB 3.34Å; N465-R469 WeakPolarHBondContact O-CD 3.28Å; N465-R469 WeakPolarHBondContact O-CG 3.4Å; N465-R469 PolarHBondContact O-N 2.88Å; N465-R469 PolarHBondContact OD1-NE 3.34Å; S467-R469 PolarHBondContact O-N 2.88Å; R469-V472 PolarHBondContact O-N 3.32Å; R469-T473 PolarHBondContact O-N 3.41Å; R469-T473 PolarHBondContact O-OG1 3.05Å
470R81.5Confident73Confident188 Ų188108.9 Ų108.971%0.70957%0.568SS**Hα-helixtrans-62.7-46.5174-75.2171.7178.8-172-0.2111.2T466 S467 L468 V472 T473 T474T466-R470 VanDerWaalsContact O-CG 3.32Å; T466-R470 WeakPolarHBondContact O-CG 3.49Å; T466-R470 PolarHBondContact O-N 3.08Å; S467-R470 WeakPolarHBondContact O-CB 3.41Å; S467-R470 PolarHBondContact O-N 2.97Å; S467-R470 VanDerWaalsContact O-N 3.11Å; L468-R470 VanDerWaalsContact C-N 3.33Å; L468-R470 PolarHBondContact O-N 3.16Å; R470-V472 PolarHBondContact O-N 3.39Å; R470-T473 PolarHBondContact O-N 3.41Å; R470-T474 PolarHBondContact O-N 3.14Å; R470-T474 PolarHBondContact O-OG1 3.36Å
471Q77.3Confident70.4Confident107 Ų107111.6 Ų111.650%0.559%0.587SS.*Hα-helixtrans-59.3-44.2176.9-68.81763.300112.6S467 L468 T473 T474 N475S467-Q471 WeakPolarHBondContact O-CG 3.49Å; S467-Q471 PolarHBondContact O-N 3.01Å; L468-Q471 PolarHBondContact O-N 2.82Å; Q471-T473 PolarHBondContact O-N 2.93Å; Q471-T474 PolarHBondContact O-N 3.23Å; Q471-N475 PolarHBondContact O-N 2.67Å; Q471-N475 VanDerWaalsContact O-N 3.08Å
472V73Confident67.6Low94 Ų94111 Ų11157%0.5760%0.602SS**Hα-helixtrans-60.3-45174.3171.60000111L468 R469 R470 T474 N475 V476L468-V472 WeakPolarHBondContact O-CG2 3.37Å; L468-V472 PolarHBondContact O-N 3.02Å; R469-V472 PolarHBondContact O-N 3.32Å; R470-V472 PolarHBondContact O-N 3.39Å; V472-T474 PolarHBondContact O-N 2.76Å; V472-N475 PolarHBondContact O-N 3.44Å; V472-V476 WeakPolarHBondContact O-CG2 3.18Å; V472-V476 PolarHBondContact O-N 3.46Å
473T67.2Low64.9Low79 Ų79110.6 Ų110.649%0.48561%0.609SS.*Hα-helixtrans-62.1-40.7176-59.40000112.3R469 R470 Q471 N475 V476 Y477R469-T473 PolarHBondContact O-N 3.41Å; R469-T473 PolarHBondContact O-OG1 3.05Å; R470-T473 PolarHBondContact O-N 3.41Å; Q471-T473 PolarHBondContact O-N 2.93Å; T473-N475 VanDerWaalsContact C-N 3.32Å; T473-N475 PolarHBondContact O-N 3Å; T473-V476 PolarHBondContact O-N 2.65Å; T473-Y477 HydrophobicContact CG2-CD2 4.46Å; T473-Y477 HydrophobicContact CG2-CE2 3.96Å; T473-Y477 VanDerWaalsContact O-CD2 3.29Å; T473-Y477 WeakPolarHBondContact O-CD2 3.43Å
474T61.9Low62.1Low87 Ų87114.3 Ų114.353%0.53462%0.623SS.*Hα-helixtrans-61.3-41.3176.6-50.60000111.7R470 Q471 V472 V476 Y477R470-T474 PolarHBondContact O-N 3.14Å; R470-T474 PolarHBondContact O-OG1 3.36Å; Q471-T474 PolarHBondContact O-N 3.23Å; V472-T474 PolarHBondContact O-N 2.76Å; T474-V476 VanDerWaalsContact C-N 3.29Å; T474-V476 PolarHBondContact O-N 2.89Å; T474-Y477 PolarHBondContact O-N 3.46Å
475N56.2Low59.2Low112 Ų112119.6 Ų119.660%0.59964%0.64SS**Hα-helixtrans-69.4-23.7179.6-68.2-6.5000113.2Q471 V472 T473 Y477 Q478Q471-N475 PolarHBondContact O-N 2.67Å; Q471-N475 VanDerWaalsContact O-N 3.08Å; V472-N475 PolarHBondContact O-N 3.44Å; T473-N475 VanDerWaalsContact C-N 3.32Å; T473-N475 PolarHBondContact O-N 3Å; N475-Y477 VanDerWaalsContact C-N 3.3Å; N475-Y477 PolarHBondContact O-N 3.05Å; N475-Q478 PolarHBondContact O-N 2.88Å
476V51.5Low57.5Low101 Ų101121.2 Ų121.261%0.61266%0.655SS**Hα-helixtrans-72.4-22176.6168.70000112.6V472 T473 T474 Q478V472-V476 WeakPolarHBondContact O-CG2 3.18Å; V472-V476 PolarHBondContact O-N 3.46Å; T473-V476 PolarHBondContact O-N 2.65Å; T474-V476 VanDerWaalsContact C-N 3.29Å; T474-V476 PolarHBondContact O-N 2.89Å; V476-Q478 VanDerWaalsContact C-N 3.29Å; V476-Q478 PolarHBondContact O-N 3.01Å
477Y46.6Very low54.5Low194 Ų194124.5 Ų124.576%0.76167%0.67SS**THydrogen-bonded Turntrans-88.314.6175.5-70-74.7000113.9T473 T474 N475T473-Y477 HydrophobicContact CG2-CD2 4.46Å; T473-Y477 HydrophobicContact CG2-CE2 3.96Å; T473-Y477 VanDerWaalsContact O-CD2 3.29Å; T473-Y477 WeakPolarHBondContact O-CD2 3.43Å; T474-Y477 PolarHBondContact O-N 3.46Å; N475-Y477 VanDerWaalsContact C-N 3.3Å; N475-Y477 PolarHBondContact O-N 3.05Å
478Q43.2Very low53.2Low153 Ų153126.2 Ų126.272%0.71568%0.679SS**SBendtrans-121.645.4179.4-66.7-164.6-8.300114.2N475 V476N475-Q478 PolarHBondContact O-N 2.88Å; V476-Q478 VanDerWaalsContact C-N 3.29Å; V476-Q478 PolarHBondContact O-N 3.01Å
479T36.7Very low50.4Low120 Ų120127 Ų12774%0.73669%0.692SS**SBendtrans-142.3139.6161.417.10000111.3
480P41.9Very low47.9Very low126 Ų126124.6 Ų124.682%0.81870%0.7SS**  trans-84.6162.9-172.534.2-36000113.7
481S39Very low46.3Very low129 Ų129120.7 Ų120.790%0.90270%0.7SS**  trans-63.3141.6-176.2-48.80000114.6
482G33.5Very low44.2Very low76 Ų76121 Ų12178%0.78471%0.714SS**  trans-150.9135161.900000108.9
483T33.7Very low42.1Very low119 Ų119121.7 Ų121.773%0.7373%0.729SS**  trans-104.6172.1-171.949.50000113.1
484D33.4Very low40.5Very low146 Ų146125.6 Ų125.678%0.78175%0.746SS**  trans87108.6155.8-50.7-50.9000119.8
485Y29.6Very low39Very low221 Ų221131.2 Ų131.287%0.86776%0.763SS**  trans-69.5-177.8155.4-93.8-109.6000110.7
486P52.3Low37.9Very low112 Ų112137.3 Ų137.373%0.72778%0.777SS**  cis-135.2161.6918.18.8000117.9
487D28.9Very low36.8Very low144 Ų144142.6 Ų142.677%0.7779%0.787SS**  43174.7120.2-134.323.4000121.5
488P60.4Low36.1Very low92 Ų92141 Ų14160%0.59779%0.786SS**  cis-128.9-177.3-28.914.411.1000115.6
489S28.5Very low35.6Very low100 Ų100139.3 Ų139.370%0.69979%0.791SS**  trans89.1114.3138.770.10000124.6
490S29.1Very low35.5Very low116 Ų116137.7 Ų137.781%0.81179%0.79SS**  65.7166.7129.4-64.40000122.1
491P48.7Very low35.1Very low107 Ų107143.3 Ų143.370%0.69579%0.794SS**  cis-137.6161.9-49.140-24.9000115.6
492S32.2Very low34.7Very low114 Ų114141.7 Ų141.780%0.79779%0.789SS**  trans41.8119.6147.663.80000123.2
493A29.8Very low34.8Very low107 Ų107143.2 Ų143.288%0.88479%0.788SS**  trans-163.8130.6139.500000115.9
494L33Very low35.1Very low161 Ų161147.7 Ų147.784%0.84379%0.791SS**  trans-58.4142.7-179.7-64.6151.6000118.4
495K31.5Very low35.3Very low206 Ų206147 Ų14790%0.89679%0.794SS**  trans159.1149.5136.6-83.8149.3-168.6170.40108.9
496R31.6Very low35.4Very low239 Ų239142.9 Ų142.990%0.90279%0.785SS**  cis-158.5161.733.3-163.1-176.4-69.5-158.9-2.2111.4
497R29.7Very low34.5Very low213 Ų213142.9 Ų142.980%0.80479%0.788SS**  trans-72.3168.9164.2-75.8178.8170.1-176.5-3.2110.8
498Q31.8Very low34.6Very low161 Ų161142.8 Ų142.875%0.75278%0.784SS**  cis-154.4148.818.6-127.5142.7-26.100108.6
499S32.8Very low33.3Very low116 Ų116147.8 Ų147.881%0.81179%0.793SS**  50.8137.3102.8-143.20000117
500A33.8Very low33.6Very low86 Ų86150.7 Ų150.771%0.71180%0.795SS**  cis-154.2144.95.500000109.7
501R33.9Very low33.9Very low244 Ų244151.2 Ų151.292%0.92179%0.793SS**  85.99875.6-165.2-167.2-165.5-176.27.2117.2
502A31.1Very low33.1Very low96 Ų96149.9 Ų149.979%0.79380%0.799SS**  trans-169.2158.7149.400000111.1
503S33.9Very low33.3Very low107 Ų107150 Ų15075%0.74880%0.8SS**  cis-168104.7-40.6-96.80000113
504R40.3Very low33.3Very low214 Ų214148.9 Ų148.981%0.80880%0.798SS**  trans63.2170.1154.9-92.7-179.6-174-152.7-1117.8
505P39.3Very low33.1Very low130 Ų130149.4 Ų149.484%0.84480%0.801SS**  cis-118.6-159.623.643.3-29.1000116.9
506M29.9Very low33.1Very low136 Ų136149.5 Ų149.567%0.6780%0.802SS**  trans-125.9152.3-164.3-70.1157.661.800113.4
507S33.5Very low33.2Very low112 Ų112143.5 Ų143.578%0.78379%0.794SS**  trans-167.4103.5147.4-156.60000107.2
508M32.4Very low33.1Very low142 Ų142143.5 Ų143.570%0.780%0.795SS**  79.8130.285.7-71.6-66.6-70.300114.1
509Y33Very low32.9Very low197 Ų197142.7 Ų142.777%0.77380%0.795SS**  trans65.6142.1-171.2-60.8-85000115.8
510E34.9Very low32.7Very low161 Ų161142.5 Ų142.575%0.75279%0.794SS**  cis-155.6-169-29.3-140.6-179.8173.200111.1
511T34.2Very low32.4Very low126 Ų126148.8 Ų148.877%0.77381%0.805SS**  trans-44.7132.9-175.745.90000116.8
512G32.4Very low32Very low79 Ų79140.8 Ų140.881%0.81480%0.799SS**  trans-126.990.1169.300000113G514G512-G514 PolarHBondContact O-N 3.27Å
513S36.3Very low31.8Very low118 Ų118145 Ų14583%0.82580%0.802SS**  trans-77.895.8173.537.50000111.2L515S513-L515 PolarHBondContact O-N 3.24Å
514G29.5Very low31.4Very low82 Ų82146 Ų14685%0.84580%0.804SS**  trans-75.679-174.600000115.4G512G512-G514 PolarHBondContact O-N 3.27Å
515L30.1Very low31.4Very low173 Ų173141.1 Ų141.191%0.90680%0.8SS**PPolyproline II helixtrans-78.7124.1160-77.9173.1000110.3S513S513-L515 PolarHBondContact O-N 3.24Å
516K30.2Very low30.6Very low208 Ų208146 Ų14690%0.90480%0.803SS**PPolyproline II helixtrans-97.9138.5171.9-104.9-174.5175.4-178.40110.7
517P35.1Very low30.9Very low112 Ų112145.3 Ų145.373%0.72781%0.809SS**PPolyproline II helixtrans-94.8153.2-178.436.9-35.5000113.7
518Y26.9Very low30.6Very low214 Ų214149.2 Ų149.284%0.83982%0.815SS**  trans174.2146.3152.7-103.3-151.5000107
519L28.6Very low30.4Very low143 Ų143152.1 Ų152.175%0.74983%0.827SS**  cis-153162.17.8-119.2168.8000110.6
520S27.1Very low30.1Very low113 Ų113146 Ų14679%0.7982%0.824SS**  trans-104.7147.2171.4-56.80000112.6
521K28.3Very low29.8Very low218 Ų218146.8 Ų146.895%0.94883%0.832SS**  trans-165.3131157.8-97.4177.4-175.6-179.10107.5
522G25.8Very low29.7Very low76 Ų76146.5 Ų146.578%0.78483%0.832SS**  cis-165.8169.2-6.600000110.9
523E25.4Very low29.4Very low184 Ų184147.7 Ų147.786%0.8683%0.828SS**  trans-88.5155-173.9-58.5157.1121.400111.8
524T27.2Very low28.9Very low128 Ų128149 Ų14979%0.78583%0.825SS**  165.7173.482.836.60000108.4
525P39.3Very low28.7Very low112 Ų112153.2 Ų153.273%0.72782%0.823SS**  cis-130.7173.4-3937.2-22000113
526Y23.2Very low28.9Very low231 Ų231148.9 Ų148.991%0.90681%0.805SS**  trans-136.5144.3159-109.6-96.2000108.6
527P34.6Very low28.6Very low123 Ų123148 Ų14880%0.79980%0.802SS**  trans-85.6164.4-175.534.2-36000114.4
528E27.5Very low28.7Very low194 Ų194148.1 Ų148.191%0.90780%0.802SS**  trans-82.8143.7-178.9-58.9168.992.600114.3
529E28.3Very low29.5Very low203 Ų203142.8 Ų142.895%0.94979%0.794SS**  trans-144.9150.6132.9-68.8-165.7159.600106.7
530G27.3Very low29.4Very low69 Ų69144.7 Ų144.771%0.71180%0.799SS**  cis164.166.40.200000111.5P532G530-P532 WeakPolarHBondContact O-CD 3.26Å
531L28.6Very low29.3Very low176 Ų176145.2 Ų145.292%0.92180%0.797SS**  trans-86.1126.9-177.4-73.5176.7000113.5
532P31.4Very low29.2Very low121 Ų121140.2 Ų140.279%0.78679%0.79SS**  trans-90.2149.2151.134.2-29.7000111.2G530G530-P532 WeakPolarHBondContact O-CD 3.26Å
533S26.2Very low29.3Very low104 Ų104146.1 Ų146.173%0.72779%0.794SS**  trans-119.7-177.4178.8-175.20000110.4
534L25.5Very low29.3Very low145 Ų145144.1 Ų144.176%0.75979%0.788SS**  trans77.2145.8167.2-52.5-179.4000116.6
535Q25.9Very low29.2Very low171 Ų171144 Ų14480%0.79978%0.779SS**  cis-159.7-161.2-28.6-132.4-166.1-20.700109.1
536P33.9Very low28.6Very low81 Ų81145.1 Ų145.153%0.52677%0.772SS.*  trans-124.2-171.3-141.835.1-11.5000117.3
537F23.9Very low28.9Very low190 Ų190142.8 Ų142.883%0.83377%0.769SS**  trans80.5157.1152.4-73.8-39.3000120.5
538P37.3Very low28.4Very low114 Ų114142 Ų14274%0.7477%0.767SS**  cis-131.9-131.2-24.540.3-19.3000112.4
539P43.4Very low28.4Very low102 Ų102137.7 Ų137.766%0.66276%0.758SS**  trans-119.3-174.1-147.229.5-2.7000114.2
540H26.8Very low28.5Very low184 Ų184134.4 Ų134.485%0.85275%0.752SS**  trans-174.9169.3132.7-99.8-62.2000113.3
541T24.7Very low29.4Very low123 Ų123136 Ų13676%0.75575%0.75SS**  trans-102.5147.9-169.251.20000114.1
542S26.3Very low29.2Very low114 Ų114135.5 Ų135.580%0.79774%0.742SS**  175.4127.112757.50000117.4
543K27.6Very low29Very low199 Ų199135.3 Ų135.387%0.86574%0.744SS**  trans37.3116.5134.8-68.1-174.9177-178.20123.6
544L26.2Very low29.1Very low142 Ų142136.8 Ų136.874%0.74374%0.744SS**  64.6127.9102.8-157.2112.4000122.9
545E24.4Very low29.3Very low125 Ų125140.9 Ų140.958%0.58475%0.751SS**  -151.1178.1114.8-127.7-57.1102.100109.3
546K28.5Very low29.4Very low136 Ų136139.1 Ų139.159%0.59175%0.747SS**  trans-157.5138.9-179.685-62.9122.7-1150115.6
547Q28.2Very low29.2Very low182 Ų182142.6 Ų142.685%0.8576%0.761SS**  trans-166.2147.7172.3-99.3163.573.800107.3
548S25.2Very low29.4Very low106 Ų106138.5 Ų138.574%0.74175%0.752SS**  cis-167.8168.7-13.6-151.60000106.8
549S26.8Very low28.8Very low105 Ų105142 Ų14273%0.73476%0.756SS**  cis-149.1-164.711.4-64.60000110.4
550V30Very low27.9Very low134 Ų134144.8 Ų144.881%0.81277%0.765SS**  trans-126.2-171.1169.4-126.20000108.2
551P45.8Very low27.8Very low102 Ų102142.3 Ų142.366%0.66276%0.758SS**  cis-142.116226.642.9-21.9000120.2
552E26Very low27.9Very low165 Ų165141.8 Ų141.877%0.77176%0.759SS**  trans30.3138.5131.8-55.2160.4144.100122.9
553S26.7Very low27.9Very low117 Ų117145 Ų14582%0.81876%0.762SS**  -159.2125.311564.30000111.8
554D28.3Very low27.9Very low135 Ų135143.2 Ų143.272%0.72276%0.759SS**  trans-77162.3172.8-50-80.9000112.4
555Y30.1Very low27.8Very low231 Ų231143 Ų14391%0.90676%0.759SS**  trans-156.3124136.8-100.6-64.9000110.9
556D27.5Very low27.7Very low135 Ų135143.4 Ų143.472%0.72277%0.765SS**  trans-113.7150166.9-177.217.9000108.6
557N28.9Very low27.6Very low153 Ų153141.4 Ų141.482%0.81877%0.767SS**  trans-173.7147.5160.9-105.5-63.2000111.2
558T27.8Very low27.4Very low105 Ų105136.1 Ų136.164%0.64476%0.762SS**  trans-121.5159.6-173.1-25.90000111.8
559F25Very low27.5Very low187 Ų187140.7 Ų140.782%0.8277%0.769SS**  trans60.7127.3166.2-85.3-83.1000118.3
560N25.5Very low27.3Very low161 Ų161139.4 Ų139.486%0.86177%0.772SS**  -150.2162103.1-145.74.7000111.7
561D24.5Very low27.2Very low131 Ų131145 Ų14570%0.70178%0.779SS**  trans-111.7150.2179-173.916000110.4
562S26.8Very low26.3Very low112 Ų112152.3 Ų152.378%0.78379%0.793SS**  trans-171.799.5172.255.60000113.4
563E25.8Very low26.2Very low182 Ų182148.2 Ų148.285%0.8580%0.796SS**  trans-73.4154.9152.9-60.8-174.2121.700111.1
564M28.5Very low26.3Very low161 Ų161154.6 Ų154.679%0.79380%0.802SS**  trans173.3135.6132.2-96.6-171.883.500112.3
565D24Very low26.1Very low139 Ų139157 Ų15774%0.74381%0.811SS**  trans38.8155.3136.3-65.3-2000123.5
566D22.8Very low26Very low133 Ų133157 Ų15771%0.71181%0.809SS**  cis-173.7173-22.8176.441.9000108
567S25.6Very low25.8Very low93 Ų93155.7 Ų155.765%0.6581%0.811SS**  trans69.9118.1151.2-90.10000119.5
568G25Very low25.6Very low72 Ų72153.7 Ų153.774%0.74281%0.809SS**  trans-161.514.8-17900000119
569F26.5Very low25.5Very low201 Ų201151.6 Ų151.688%0.88281%0.808SS**  trans40.9103.4168.7-74.9-90000119.4
570G23.3Very low25.5Very low78 Ų78154.1 Ų154.180%0.80481%0.812SS**  trans-81.2170.7171.700000115.6
571R26.1Very low25.5Very low251 Ų251153.8 Ų153.895%0.94781%0.809SS**  trans-141.3137.2163.4-92.6-176.3179.2-121.6-1.8111.9
572R26.9Very low25.5Very low256 Ų256150.2 Ų150.297%0.96680%0.803SS**  trans-74.8131.6163.6-71-178.6175.5-177.2-0.7109.3
573G24.5Very low25.4Very low80 Ų80154.8 Ų154.883%0.82581%0.812SS**  trans-132.793.7172.300000110.9
574R29.4Very low25.4Very low250 Ų250149.2 Ų149.294%0.94380%0.804SS**  trans-96.4121.6177.9-158.7-172.3-156.7-170.68.4108.6
575M24.7Very low25.2Very low185 Ų185149.3 Ų149.391%0.91181%0.807SS**  trans-131.4150.7173.2-111.3-64151.900111.4
576R26.5Very low25.3Very low232 Ų232147.8 Ų147.888%0.87581%0.808SS**  trans-154121.1-168.2-174.1-167.2-165.4-149.16.7110.7
577S23.4Very low25.8Very low108 Ų108148.6 Ų148.676%0.75581%0.81SS**  trans-148137161-108.10000107
578S25.5Very low26.3Very low111 Ų111149.7 Ų149.778%0.77682%0.815SS**  70116.755.7-50.50000111.6
579G24.6Very low26.8Very low60 Ų60154.6 Ų154.662%0.61982%0.819SS**  cis168.8-167.5-3.700000111.5
580W25Very low26.9Very low241 Ų241153.1 Ų153.191%0.91382%0.819SS**  trans68.7150.6172.6-49.178.9000115.7
581L26.2Very low27.3Very low154 Ų154158 Ų15881%0.80682%0.821SS**  cis-159163.2-32.1-97.5-167.3000105.7
582G24.1Very low27.3Very low55 Ų55153.3 Ų153.357%0.56782%0.815SS**  cis173.4-178.9-0.300000111
583E25.2Very low27.6Very low209 Ų209148.7 Ų148.798%0.97781%0.809SS**  trans65.3139.7167.6-52.3-175.1147.200118.3
584G25.2Very low27.8Very low65 Ų65153.7 Ų153.767%0.6781%0.81SS**  cis174.3158.8-9.300000113.4
585N24.3Very low27.8Very low162 Ų162148 Ų14887%0.86680%0.804SS**  trans66.7146.1167.3-59.4-3.3000117.9
586S25.9Very low28.3Very low108 Ų108148.6 Ų148.676%0.75580%0.804SS**  cis-160.2161.6-14.9-88.80000110.3
587I34.3Very low28.5Very low150 Ų150142.9 Ų142.977%0.76980%0.8SS**  trans-91151.2165.5-15-179.1000108.7
588P35.9Very low29.3Very low116 Ų116142.4 Ų142.475%0.75379%0.789SS**  -125150.374.41013.4000112.3
589E35Very low30.4Very low175 Ų175139.9 Ų139.982%0.81877%0.77SS**  74100.252.2-168.7176.5-120.500113
590L28.7Very low32.2Very low169 Ų169142.4 Ų142.489%0.88577%0.773SS**  trans-151.1147.6151.3-104176.8000108
591E31.5Very low34Very low182 Ų182133.5 Ų133.585%0.8574%0.743SS**  trans-79.4149.4-173.5-58.5164.911400112.1
592D26.2Very low36.5Very low152 Ų152126.9 Ų126.981%0.81371%0.71SS**  trans-148.1143.1141.5-151.7-10.1000110.8
593L34.3Very low39.2Very low159 Ų159126.8 Ų126.883%0.83270%0.7SS**  trans-95101.3-171-80.8163.3000110.9
594Q28.6Very low41.8Very low184 Ų184118.4 Ų118.486%0.8666%0.663SS**  trans-110.698.8163.3-69-163.7-5.700111.4
595T28.6Very low44.5Very low132 Ų132122.7 Ų122.781%0.8167%0.666SS**  trans-23.5131.7162.8-42.20000114.2S597T595-S597 PolarHBondContact O-N 3.32Å; T595-S597 VanDerWaalsContact O-N 3.09Å
596E35.2Very low47.3Very low197 Ų197117.2 Ų117.292%0.92164%0.637SS**  trans-60.7112.8172.9-65.3-170.5122.800111.1
597S31.6Very low50.3Low111 Ų111112.1 Ų112.178%0.77660%0.601SS**  trans-89.7129.9164.152.70000109.9T595T595-S597 PolarHBondContact O-N 3.32Å; T595-S597 VanDerWaalsContact O-N 3.09Å
598D39.5Very low52.8Low99 Ų99107.6 Ų107.653%0.52958%0.577SS.*  trans-56.7132.9176.2-17249.9000109.8T600 R656D598-T600 VanDerWaalsContact C-N 3.26Å; D598-T600 PolarHBondContact O-N 2.75Å; D598-R656 IonicContact OD1-CZ 3.51Å; D598-R656 VanDerWaalsContact OD1-CZ 3.27Å; D598-R656 IonicContact OD1-NH1 3.99Å; D598-R656 PolarHBondContact OD1-NH1 2.84Å; D598-R656 IonicContact OD1-NH2 3.58Å; D598-R656 PolarHBondContact OD1-NH2 3.36Å; D598-R656 IonicContact OD2-NH1 2.67Å; D598-R656 PolarHBondContact OD2-NH1 3.4Å
599P47.8Very low55.2Low58 Ų58109.4 Ų109.438%0.37757%0.569SS.*  trans-72.577.7-175.228.6-37.9000112.4P652P599-P652 HydrophobicContact CB-CB 4.05Å; P599-P652 HydrophobicContact CB-CG 4.2Å
600T62.1Low57.8Low112 Ų112103.3 Ų103.369%0.68754%0.54SS*.PPolyproline II helixtrans-57.1141.7170.352.80000111D598D598-T600 VanDerWaalsContact C-N 3.26Å; D598-T600 PolarHBondContact O-N 2.75Å
601L63.6Low60.8Low54 Ų5496 Ų9628%0.28350%0.503SS..PPolyproline II helixtrans-64.9151171.2-69.1165.6000110.6E720L601-E720 HydrophobicContact CD1-CB 3.76Å; L601-E720 VanDerWaalsContact CD1-OE2 3.26Å; L601-E720 WeakPolarHBondContact CD1-OE2 3.41Å
602P78.6Confident63.5Low16 Ų1690.1 Ų90.110%0.10448%0.475CS..PPolyproline II helixtrans-62.6157.417425.4-33.6000112T604 V607 L650 F651P602-T604 PolarHBondContact O-N 2.86Å; P602-V607 HydrophobicContact CB-CG2 4.01Å; P602-V607 HydrophobicContact CG-CG2 3.68Å; P602-L650 HydrophobicContact CB-CB 3.91Å; P602-L650 WeakPolarHBondContact CB-O 3.2Å; P602-L650 HydrophobicContact CG-CB 4.16Å; P602-F651 HydrophobicContact CG-CD1 3.76Å; P602-F651 HydrophobicContact CG-CD2 4.28Å; P602-F651 HydrophobicContact CG-CE1 3.58Å; P602-F651 HydrophobicContact CG-CE2 4.11Å; P602-F651 HydrophobicContact CG-CG 4.11Å; P602-F651 HydrophobicContact CG-CZ 3.77Å
603S80.4Confident66.6Low52 Ų5286.6 Ų86.636%0.36445%0.454SS..PPolyproline II helixtrans-59.9139.5176.991.10000110.5E605 D606 V607S603-E605 PolarHBondContact O-N 3.38Å; S603-D606 PolarHBondContact O-N 3.36Å; S603-D606 WeakPolarHBondContact OG-CB 3.27Å; S603-D606 VanDerWaalsContact OG-CG 3.27Å; S603-D606 PolarHBondContact OG-N 2.84Å; S603-D606 PolarHBondContact OG-OD2 3.49Å; S603-V607 WeakPolarHBondContact O-CG2 3.32Å; S603-V607 PolarHBondContact O-N 2.74Å; S603-V607 VanDerWaalsContact O-N 3.15Å
604T81.3Confident69.3Low33 Ų3379 Ų7920%0.20241%0.414CS..Hα-helixtrans-58.6-32.3177.7-48.80000111.4P602 I608 T717 T718 N721P602-T604 PolarHBondContact O-N 2.86Å; T604-I608 HydrophobicContact CG2-CD1 4.1Å; T604-I608 WeakPolarHBondContact O-CB 3.46Å; T604-I608 WeakPolarHBondContact O-CD1 3.09Å; T604-I608 VanDerWaalsContact O-CG1 3.23Å; T604-I608 WeakPolarHBondContact O-CG1 3.49Å; T604-I608 PolarHBondContact O-N 2.98Å; T604-T717 PolarHBondContact OG1-O 3.46Å; T604-T717 VanDerWaalsContact OG1-O 3.14Å; T604-T718 HydrophobicContact CG2-CG2 3.45Å; T604-T718 VanDerWaalsContact CG2-CG2 3.45Å; T604-N721 PolarHBondContact OG1-ND2 3.08Å
605E80.6Confident72.3Confident156 Ų15672.4 Ų72.473%0.72939%0.386SS*.Hα-helixtrans-67.5-43.1177.8-169176.4162.200112.4S603 V607 I608 R609S603-E605 PolarHBondContact O-N 3.38Å; E605-V607 PolarHBondContact O-N 2.84Å; E605-I608 PolarHBondContact O-N 3.33Å; E605-R609 VanDerWaalsContact O-CB 3.29Å; E605-R609 WeakPolarHBondContact O-CB 3.41Å; E605-R609 PolarHBondContact O-N 3.29Å
606D84.6Confident75.3Confident47 Ų4771.7 Ų71.725%0.25137%0.372SS..Hα-helixtrans-64.1-40.5174.8-76-60.6000112.3S603 R609 K610 L650S603-D606 PolarHBondContact O-N 3.36Å; S603-D606 WeakPolarHBondContact OG-CB 3.27Å; S603-D606 VanDerWaalsContact OG-CG 3.27Å; S603-D606 PolarHBondContact OG-N 2.84Å; S603-D606 PolarHBondContact OG-OD2 3.49Å; D606-R609 PolarHBondContact O-N 2.66Å; D606-R609 IonicContact OD1-CZ 3.77Å; D606-R609 IonicContact OD1-NE 3.19Å; D606-R609 IonicContact OD1-NH2 3.94Å; D606-R609 PolarHBondContact OD1-NH2 3.42Å; D606-K610 PolarHBondContact O-N 3.15Å; D606-L650 HydrophobicContact CB-CD1 3.94Å; D606-L650 HydrophobicContact CB-CD2 4.47Å
607V87.9Confident78Confident0 Ų062.9 Ų62.90%033%0.331CS..Hα-helixtrans-67.5-37.4178-179.80000110.9P602 S603 E605 T611 M647 L650 F651 L713 V714 T717P602-V607 HydrophobicContact CB-CG2 4.01Å; P602-V607 HydrophobicContact CG-CG2 3.68Å; S603-V607 WeakPolarHBondContact O-CG2 3.32Å; S603-V607 PolarHBondContact O-N 2.74Å; S603-V607 VanDerWaalsContact O-N 3.15Å; E605-V607 PolarHBondContact O-N 2.84Å; V607-T611 VanDerWaalsContact O-CB 3.27Å; V607-T611 WeakPolarHBondContact O-CB 3.43Å; V607-T611 PolarHBondContact O-N 3.31Å; V607-T611 PolarHBondContact O-OG1 2.9Å; V607-M647 HydrophobicContact CG1-CE 3.68Å; V607-L650 HydrophobicContact CG2-CD1 4.3Å; V607-F651 HydrophobicContact CG1-CZ 4.29Å; V607-F651 HydrophobicContact CG2-CE2 4.27Å; V607-F651 HydrophobicContact CG2-CZ 3.87Å; V607-L713 HydrophobicContact CG1-CB 4.29Å; V607-V714 HydrophobicContact CG1-CG2 4.03Å; V607-T717 HydrophobicContact CG2-CG2 4.3Å
608I86.8Confident80.9Confident55 Ų5558 Ų5828%0.28230%0.297SS..Hα-helixtrans-63.2-53.4169.9-72.1164.7000110.2T604 E605 K610 T611 E612 V714T604-I608 HydrophobicContact CG2-CD1 4.1Å; T604-I608 WeakPolarHBondContact O-CB 3.46Å; T604-I608 WeakPolarHBondContact O-CD1 3.09Å; T604-I608 VanDerWaalsContact O-CG1 3.23Å; T604-I608 WeakPolarHBondContact O-CG1 3.49Å; T604-I608 PolarHBondContact O-N 2.98Å; E605-I608 PolarHBondContact O-N 3.33Å; I608-K610 VanDerWaalsContact C-N 3.35Å; I608-K610 PolarHBondContact O-N 3.04Å; I608-T611 CarbonylContact O-C 3.47Å; I608-T611 WeakPolarHBondContact O-CA 3.46Å; I608-T611 VanDerWaalsContact O-CB 3.32Å; I608-T611 WeakPolarHBondContact O-CB 3.38Å; I608-T611 PolarHBondContact O-N 3.5Å; I608-E612 HydrophobicContact CG2-CG 4.35Å; I608-E612 WeakPolarHBondContact O-CG 3.34Å; I608-E612 PolarHBondContact O-N 2.75Å; I608-V714 HydrophobicContact CD1-CG1 4.38Å; I608-V714 HydrophobicContact CG1-CG1 3.73Å; I608-V714 HydrophobicContact CG1-CG2 4.13Å
609R87Confident83.4Confident154 Ų15458.6 Ų58.658%0.58130%0.296SS*.Hα-helixtrans-57.1-42.4-177.6-177.5169.764.3144.8-4.3113E605 D606 E612 Q613E605-R609 VanDerWaalsContact O-CB 3.29Å; E605-R609 WeakPolarHBondContact O-CB 3.41Å; E605-R609 PolarHBondContact O-N 3.29Å; D606-R609 PolarHBondContact O-N 2.66Å; D606-R609 IonicContact OD1-CZ 3.77Å; D606-R609 IonicContact OD1-NE 3.19Å; D606-R609 IonicContact OD1-NH2 3.94Å; D606-R609 PolarHBondContact OD1-NH2 3.42Å; R609-E612 PolarHBondContact O-N 3.26Å; R609-Q613 PolarHBondContact O-N 3.04Å; R609-Q613 VanDerWaalsContact O-N 3.12Å
610K89.6Confident85.4Confident47 Ų4758.6 Ų58.620%0.20429%0.291CS..Hα-helixtrans-71.3-35.5173.7-68.5-59.5-173.4-176.40112.7D606 I608 E612 Q613 I614 E646 M647 L650D606-K610 PolarHBondContact O-N 3.15Å; I608-K610 VanDerWaalsContact C-N 3.35Å; I608-K610 PolarHBondContact O-N 3.04Å; K610-E612 VanDerWaalsContact C-N 3.33Å; K610-E612 PolarHBondContact O-N 2.65Å; K610-Q613 PolarHBondContact O-N 3.23Å; K610-I614 WeakPolarHBondContact O-CG1 3.41Å; K610-I614 PolarHBondContact O-N 3.1Å; K610-E646 HydrophobicContact CD-CB 4.27Å; K610-E646 IonicContact NZ-OE2 3.48Å; K610-E646 PolarHBondContact NZ-OE2 2.85Å; K610-M647 HydrophobicContact CB-CB 3.95Å; K610-M647 HydrophobicContact CB-CG 3.97Å; K610-L650 HydrophobicContact CB-CD1 4.34Å; K610-L650 HydrophobicContact CG-CD1 3.78Å
611T91.5Very high86.8Confident16 Ų1653.3 Ų53.310%0.09826%0.258CS..Hα-helixtrans-60.8-41.9171.8-63.40000111.6V607 I608 I614 T615 M647 A710 V714V607-T611 VanDerWaalsContact O-CB 3.27Å; V607-T611 WeakPolarHBondContact O-CB 3.43Å; V607-T611 PolarHBondContact O-N 3.31Å; V607-T611 PolarHBondContact O-OG1 2.9Å; I608-T611 CarbonylContact O-C 3.47Å; I608-T611 WeakPolarHBondContact O-CA 3.46Å; I608-T611 VanDerWaalsContact O-CB 3.32Å; I608-T611 WeakPolarHBondContact O-CB 3.38Å; I608-T611 PolarHBondContact O-N 3.5Å; T611-I614 PolarHBondContact O-N 3.32Å; T611-T615 HydrophobicContact CG2-CG2 4.49Å; T611-T615 WeakPolarHBondContact O-CG2 3.42Å; T611-T615 PolarHBondContact O-N 2.87Å; T611-T615 PolarHBondContact O-OG1 2.99Å; T611-M647 WeakPolarHBondContact OG1-CE 3.28Å; T611-A710 HydrophobicContact CG2-CB 3.81Å; T611-V714 HydrophobicContact CG2-CG2 4.06Å; T611-V714 VanDerWaalsContact OG1-CG2 3.25Å; T611-V714 WeakPolarHBondContact OG1-CG2 3.32Å
612E88.5Confident88.1Confident59 Ų5953.5 Ų53.528%0.27626%0.259SS..Hα-helixtrans-66.4-39.8177.5-68.7-172.6144.300112.2S325 I608 R609 K610 I614 T615 K616S325-E612 WeakPolarHBondContact CB-OE1 3.31Å; I608-E612 HydrophobicContact CG2-CG 4.35Å; I608-E612 WeakPolarHBondContact O-CG 3.34Å; I608-E612 PolarHBondContact O-N 2.75Å; R609-E612 PolarHBondContact O-N 3.26Å; K610-E612 VanDerWaalsContact C-N 3.33Å; K610-E612 PolarHBondContact O-N 2.65Å; E612-I614 VanDerWaalsContact C-N 3.32Å; E612-I614 PolarHBondContact O-N 3.37Å; E612-T615 WeakPolarHBondContact CA-OG1 3.33Å; E612-T615 PolarHBondContact O-N 3.19Å; E612-T615 PolarHBondContact O-OG1 3.17Å; E612-T615 VanDerWaalsContact O-OG1 3.06Å; E612-K616 WeakPolarHBondContact O-CB 3.46Å; E612-K616 PolarHBondContact O-N 3.4Å
613Q90.8Very high88.7Confident77 Ų7758.6 Ų58.636%0.3628%0.277SS..Hα-helixtrans-62-38.8172.5-176.455.975.700112.5R609 K610 N617 A643R609-Q613 PolarHBondContact O-N 3.04Å; R609-Q613 VanDerWaalsContact O-N 3.12Å; K610-Q613 PolarHBondContact O-N 3.23Å; Q613-N617 PolarHBondContact NE2-ND2 3.34Å; Q613-N617 PolarHBondContact NE2-OD1 3.14Å; Q613-N617 VanDerWaalsContact O-CG 3.28Å; Q613-N617 PolarHBondContact O-N 3.37Å; Q613-N617 PolarHBondContact O-ND2 2.95Å; Q613-A643 HydrophobicContact CG-CB 4.12Å
614I91.4Very high89Confident0 Ų056.5 Ų56.50%026%0.262CS..Hα-helixtrans-65.4-46.3174-70.1163.9000110.7K610 T611 E612 K616 N617 I618 A643 V644 M647 I706K610-I614 WeakPolarHBondContact O-CG1 3.41Å; K610-I614 PolarHBondContact O-N 3.1Å; T611-I614 PolarHBondContact O-N 3.32Å; E612-I614 VanDerWaalsContact C-N 3.32Å; E612-I614 PolarHBondContact O-N 3.37Å; I614-K616 PolarHBondContact O-N 2.7Å; I614-N617 PolarHBondContact O-N 2.81Å; I614-I618 HydrophobicContact CG2-CD1 3.71Å; I614-I618 WeakPolarHBondContact O-CG1 3.38Å; I614-I618 PolarHBondContact O-N 3.02Å; I614-A643 HydrophobicContact CG1-CB 3.67Å; I614-V644 HydrophobicContact CD1-CG2 3.81Å; I614-V644 HydrophobicContact CG1-CG2 4.12Å; I614-V644 HydrophobicContact CG2-CG2 4.48Å; I614-M647 HydrophobicContact CD1-CB 3.88Å; I614-M647 HydrophobicContact CD1-CG 4.26Å; I614-M647 HydrophobicContact CD1-SD 3.46Å; I614-M647 WeakPolarHBondContact CD1-SD 3.43Å; I614-I706 HydrophobicContact CG2-CG2 3.64Å
615T91.9Very high89.2Confident45 Ų4555.3 Ų55.328%0.27626%0.256SS..Hα-helixtrans-67.8-34.3-18059.90000112.8T611 E612 I618 Q619T611-T615 HydrophobicContact CG2-CG2 4.49Å; T611-T615 WeakPolarHBondContact O-CG2 3.42Å; T611-T615 PolarHBondContact O-N 2.87Å; T611-T615 PolarHBondContact O-OG1 2.99Å; E612-T615 WeakPolarHBondContact CA-OG1 3.33Å; E612-T615 PolarHBondContact O-N 3.19Å; E612-T615 PolarHBondContact O-OG1 3.17Å; E612-T615 VanDerWaalsContact O-OG1 3.06Å; T615-I618 PolarHBondContact O-N 3.11Å; T615-Q619 WeakPolarHBondContact O-CG 3.29Å; T615-Q619 PolarHBondContact O-N 3.01Å
616K91.4Very high89.5Confident118 Ų11855 Ų5551%0.51325%0.254SS..Hα-helixtrans-60-47.5171.9-173.5172.3-177.21720111.5E612 I614 I618 Q619 E620E612-K616 WeakPolarHBondContact O-CB 3.46Å; E612-K616 PolarHBondContact O-N 3.4Å; I614-K616 PolarHBondContact O-N 2.7Å; K616-I618 VanDerWaalsContact C-N 3.34Å; K616-I618 PolarHBondContact O-N 3.18Å; K616-Q619 PolarHBondContact O-N 3.1Å; K616-E620 PolarHBondContact O-N 2.89Å
617N91.3Very high89.5Confident11 Ų1157.1 Ų57.16%0.05927%0.265CS..Hα-helixtrans-65.9-36.2177.4-66.5-12.8000111.9Q613 I614 E620 L621 R639 I640Q613-N617 PolarHBondContact NE2-ND2 3.34Å; Q613-N617 PolarHBondContact NE2-OD1 3.14Å; Q613-N617 VanDerWaalsContact O-CG 3.28Å; Q613-N617 PolarHBondContact O-N 3.37Å; Q613-N617 PolarHBondContact O-ND2 2.95Å; I614-N617 PolarHBondContact O-N 2.81Å; N617-E620 PolarHBondContact O-N 3.17Å; N617-L621 PolarHBondContact O-N 3.25Å; N617-L621 VanDerWaalsContact O-N 3.17Å; N617-R639 PolarHBondContact ND2-O 2.85Å; N617-I640 HydrophobicContact CB-CG1 3.59Å
618I92.7Very high89.3Confident10 Ų1062.4 Ų62.45%0.05129%0.294CS..Hα-helixtrans-64.2-42.6172.1-74.5166000111.9I614 T615 K616 E620 L621 L622 I640 A703 I706 A707I614-I618 HydrophobicContact CG2-CD1 3.71Å; I614-I618 WeakPolarHBondContact O-CG1 3.38Å; I614-I618 PolarHBondContact O-N 3.02Å; T615-I618 PolarHBondContact O-N 3.11Å; K616-I618 VanDerWaalsContact C-N 3.34Å; K616-I618 PolarHBondContact O-N 3.18Å; I618-E620 VanDerWaalsContact C-N 3.25Å; I618-E620 PolarHBondContact O-N 3.06Å; I618-L621 WeakPolarHBondContact O-CB 3.24Å; I618-L621 PolarHBondContact O-N 2.95Å; I618-L622 HydrophobicContact CG2-CD1 3.83Å; I618-L622 HydrophobicContact CG2-CG 4.18Å; I618-L622 WeakPolarHBondContact O-CG 3.39Å; I618-L622 PolarHBondContact O-N 2.7Å; I618-I640 HydrophobicContact CG1-CD1 3.92Å; I618-I640 HydrophobicContact CG1-CG1 4.26Å; I618-A703 HydrophobicContact CG1-CB 4.36Å; I618-A703 HydrophobicContact CG2-CB 4.04Å; I618-I706 HydrophobicContact CD1-CB 4.17Å; I618-I706 HydrophobicContact CD1-CG2 3.89Å; I618-A707 HydrophobicContact CD1-CB 4.14Å
619Q91.8Very high89.1Confident111 Ų11164.8 Ų64.852%0.51930%0.302SS..Hα-helixtrans-63.6-29.9178-75174.510.200112.9T615 K616 R623T615-Q619 WeakPolarHBondContact O-CG 3.29Å; T615-Q619 PolarHBondContact O-N 3.01Å; K616-Q619 PolarHBondContact O-N 3.1Å; Q619-R623 WeakPolarHBondContact O-CG 3.46Å; Q619-R623 PolarHBondContact O-N 2.86Å; Q619-R623 VanDerWaalsContact O-N 3.17Å; Q619-R623 PolarHBondContact O-NE 3.32Å
620E90.6Very high88.9Confident58 Ų5859.4 Ų59.427%0.27128%0.283SS..Hα-helixtrans-72-42.7172.5-71.5-179.4-161.700111.8K616 N617 I618 L622 R623 A624 R639K616-E620 PolarHBondContact O-N 2.89Å; N617-E620 PolarHBondContact O-N 3.17Å; I618-E620 VanDerWaalsContact C-N 3.25Å; I618-E620 PolarHBondContact O-N 3.06Å; E620-L622 PolarHBondContact O-N 3.24Å; E620-R623 VanDerWaalsContact CG-NH2 3.34Å; E620-R623 PolarHBondContact O-N 3.47Å; E620-A624 PolarHBondContact O-N 2.92Å; E620-R639 IonicContact OE2-CZ 3.86Å; E620-R639 IonicContact OE2-NH1 3.5Å; E620-R639 PolarHBondContact OE2-NH1 3.34Å; E620-R639 IonicContact OE2-NH2 3.91Å; E620-R639 PolarHBondContact OE2-NH2 2.91Å
621L90.9Very high88.5Confident1 Ų164.2 Ų64.21%0.00531%0.312CS..Hα-helixtrans-59.9-44.1173.4177.364.7000112N617 I618 R623 A624 A625 F633 C636 I640 L674 V699 A703N617-L621 PolarHBondContact O-N 3.25Å; N617-L621 VanDerWaalsContact O-N 3.17Å; I618-L621 WeakPolarHBondContact O-CB 3.24Å; I618-L621 PolarHBondContact O-N 2.95Å; L621-R623 PolarHBondContact O-N 3.32Å; L621-A624 PolarHBondContact O-N 3.21Å; L621-A625 WeakPolarHBondContact O-CB 3.3Å; L621-A625 PolarHBondContact O-N 3.46Å; L621-F633 HydrophobicContact CD1-CB 4.48Å; L621-F633 HydrophobicContact CD1-CD1 4.17Å; L621-F633 HydrophobicContact CD1-CG 4.33Å; L621-C636 HydrophobicContact CB-CB 3.97Å; L621-C636 HydrophobicContact CD1-CB 3.9Å; L621-C636 HydrophobicContact CG-CB 4.49Å; L621-I640 HydrophobicContact CB-CD1 4.04Å; L621-I640 HydrophobicContact CD2-CD1 3.62Å; L621-I640 HydrophobicContact CG-CD1 4.46Å; L621-L674 HydrophobicContact CD2-CD1 3.77Å; L621-L674 HydrophobicContact CD2-CD2 3.99Å; L621-L674 HydrophobicContact CD2-CG 4.46Å; L621-V699 HydrophobicContact CD1-CG1 3.84Å; L621-V699 HydrophobicContact CD2-CG1 3.91Å; L621-V699 HydrophobicContact CG-CG1 4.06Å; L621-A703 HydrophobicContact CD2-CB 4.13Å
622L90.8Very high88.3Confident57 Ų5765.9 Ų65.930%0.29832%0.324SS..Hα-helixtrans-66.5-35.6178.7-68176000112.2I618 E620 A625 Q626 I700I618-L622 HydrophobicContact CG2-CD1 3.83Å; I618-L622 HydrophobicContact CG2-CG 4.18Å; I618-L622 WeakPolarHBondContact O-CG 3.39Å; I618-L622 PolarHBondContact O-N 2.7Å; E620-L622 PolarHBondContact O-N 3.24Å; L622-A625 PolarHBondContact O-N 2.96Å; L622-Q626 VanDerWaalsContact O-CG 3.3Å; L622-Q626 WeakPolarHBondContact O-CG 3.28Å; L622-Q626 PolarHBondContact O-N 3.26Å; L622-I700 HydrophobicContact CD2-CB 4.33Å; L622-I700 HydrophobicContact CD2-CG1 3.88Å; L622-I700 HydrophobicContact CD2-CG2 4.11Å
623R90.1Very high88.4Confident124 Ų12463 Ų6347%0.46831%0.31SS..Hα-helixtrans-65.8-43.1170.7-82.9174.6-80.2146.3-10111.9Q619 E620 L621 A625 Q626 D627Q619-R623 WeakPolarHBondContact O-CG 3.46Å; Q619-R623 PolarHBondContact O-N 2.86Å; Q619-R623 VanDerWaalsContact O-N 3.17Å; Q619-R623 PolarHBondContact O-NE 3.32Å; E620-R623 VanDerWaalsContact CG-NH2 3.34Å; E620-R623 PolarHBondContact O-N 3.47Å; L621-R623 PolarHBondContact O-N 3.32Å; R623-A625 VanDerWaalsContact C-N 3.27Å; R623-A625 PolarHBondContact O-N 2.94Å; R623-Q626 PolarHBondContact O-N 3.17Å; R623-D627 WeakPolarHBondContact O-CB 3.45Å; R623-D627 PolarHBondContact O-N 3.41Å
624A87.6Confident88.3Confident8 Ų860.8 Ų60.87%0.06630%0.302CS..Hα-helixtrans-61.3-36.3174.100000112.4E620 L621 N628 K629 F633E620-A624 PolarHBondContact O-N 2.92Å; L621-A624 PolarHBondContact O-N 3.21Å; A624-N628 PolarHBondContact O-N 2.95Å; A624-K629 HydrophobicContact CB-CB 4.42Å; A624-K629 PolarHBondContact O-N 3.48Å; A624-F633 HydrophobicContact CB-CD1 4.35Å; A624-F633 HydrophobicContact CB-CE1 4.32Å
625A86.3Confident88.2Confident7 Ų763.9 Ų63.96%0.05832%0.322CS..Hα-helixtrans-67.7-43.7174.600000112.6L621 L622 R623 D627 N628 F633 T696 I700L621-A625 WeakPolarHBondContact O-CB 3.3Å; L621-A625 PolarHBondContact O-N 3.46Å; L622-A625 PolarHBondContact O-N 2.96Å; R623-A625 VanDerWaalsContact C-N 3.27Å; R623-A625 PolarHBondContact O-N 2.94Å; A625-D627 VanDerWaalsContact C-N 3.31Å; A625-D627 PolarHBondContact O-N 2.97Å; A625-N628 PolarHBondContact O-N 3.41Å; A625-F633 HydrophobicContact CB-CE1 4.19Å; A625-F633 HydrophobicContact CB-CZ 4.08Å; A625-T696 HydrophobicContact CB-CG2 3.86Å; A625-I700 HydrophobicContact CB-CD1 4.31Å; A625-I700 HydrophobicContact CB-CG1 4.31Å
626Q85.8Confident88.1Confident150 Ų15062.1 Ų62.170%0.70131%0.311SS*.Hα-helixtrans-62.2-37.7174.7-73.2168-16.800112.3L622 R623 N628L622-Q626 VanDerWaalsContact O-CG 3.3Å; L622-Q626 WeakPolarHBondContact O-CG 3.28Å; L622-Q626 PolarHBondContact O-N 3.26Å; R623-Q626 PolarHBondContact O-N 3.17Å; Q626-N628 VanDerWaalsContact C-N 3.28Å; Q626-N628 PolarHBondContact O-N 3.29Å
627D85.4Confident88.1Confident91 Ų9156.5 Ų56.549%0.48729%0.287SS..THydrogen-bonded Turntrans-79.1-2.7177.2-73.5-14.3000114R623 A625 K629R623-D627 WeakPolarHBondContact O-CB 3.45Å; R623-D627 PolarHBondContact O-N 3.41Å; A625-D627 VanDerWaalsContact C-N 3.31Å; A625-D627 PolarHBondContact O-N 2.97Å; D627-K629 HydrophobicContact CB-CB 4.4Å; D627-K629 HydrophobicContact CB-CD 3.58Å; D627-K629 HydrophobicContact CB-CG 3.78Å; D627-K629 PolarHBondContact O-N 3.28Å; D627-K629 WeakPolarHBondContact OD2-CE 3.47Å; D627-K629 IonicContact OD2-NZ 2.67Å; D627-K629 PolarHBondContact OD2-NZ 3.47Å
628N82.4Confident88.2Confident111 Ų11160 Ų6059%0.59430%0.303SS*.THydrogen-bonded Turntrans54.532.6-170.8-56.8-83.8000114.3A624 A625 Q626 H630A624-N628 PolarHBondContact O-N 2.95Å; A625-N628 PolarHBondContact O-N 3.41Å; Q626-N628 VanDerWaalsContact C-N 3.28Å; Q626-N628 PolarHBondContact O-N 3.29Å; N628-H630 PolarHBondContact O-CD2 2.92Å; N628-H630 VanDerWaalsContact O-CD2 3.24Å; N628-H630 PolarHBondContact O-N 3.36Å; N628-H630 PolarHBondContact O-NE2 3.2Å
629K84.1Confident88.2Confident106 Ų10664.2 Ų64.246%0.46132%0.318SS..  trans-90.168.3-178.5-71.7170.1-175.1159.10111.4A624 D627 D631 S632A624-K629 HydrophobicContact CB-CB 4.42Å; A624-K629 PolarHBondContact O-N 3.48Å; D627-K629 HydrophobicContact CB-CB 4.4Å; D627-K629 HydrophobicContact CB-CD 3.58Å; D627-K629 HydrophobicContact CB-CG 3.78Å; D627-K629 PolarHBondContact O-N 3.28Å; D627-K629 WeakPolarHBondContact OD2-CE 3.47Å; D627-K629 IonicContact OD2-NZ 2.67Å; D627-K629 PolarHBondContact OD2-NZ 3.47Å; K629-D631 VanDerWaalsContact C-N 3.28Å; K629-D631 PolarHBondContact O-N 2.9Å; K629-S632 WeakPolarHBondContact O-CB 3.39Å; K629-S632 PolarHBondContact O-N 3.08Å
630H82.1Confident88.2Confident40 Ų4058.9 Ų58.919%0.18529%0.293CS..G310 helixtrans-59-33-173.7-56.5-58.8000113.9N628 S632 F633 A681 M692 T696N628-H630 PolarHBondContact O-CD2 2.92Å; N628-H630 VanDerWaalsContact O-CD2 3.24Å; N628-H630 PolarHBondContact O-N 3.36Å; N628-H630 PolarHBondContact O-NE2 3.2Å; H630-S632 PolarHBondContact O-N 3.33Å; H630-S632 VanDerWaalsContact O-N 3.09Å; H630-F633 AromaticContact CE1-CZ 3.92Å; H630-F633 AromaticContact ND1-CE1 3.91Å; H630-F633 AromaticContact ND1-CE2 3.47Å; H630-F633 WeakPolarHBondContact ND1-CE2 3.48Å; H630-F633 AromaticContact ND1-CZ 3.28Å; H630-F633 VanDerWaalsContact ND1-CZ 3.28Å; H630-F633 WeakPolarHBondContact ND1-CZ 3.18Å; H630-F633 VanDerWaalsContact O-CB 3.25Å; H630-F633 WeakPolarHBondContact O-CB 3.46Å; H630-F633 WeakPolarHBondContact O-CG 3.3Å; H630-F633 PolarHBondContact O-N 2.85Å; H630-A681 HydrophobicContact CB-CB 4.38Å; H630-M692 HydrophobicContact CB-SD 4.31Å; H630-M692 WeakPolarHBondContact CE1-CG 3.38Å; H630-M692 WeakPolarHBondContact NE2-CG 3.17Å; H630-T696 PolarHBondContact CE1-OG1 2.71Å
631D82.1Confident88.4Confident149 Ų14958.5 Ų58.580%0.79729%0.291SS*.G310 helixtrans-56.7-27.5173.9-53.4-43.2000113.2K629 F633 P635K629-D631 VanDerWaalsContact C-N 3.28Å; K629-D631 PolarHBondContact O-N 2.9Å; D631-F633 VanDerWaalsContact C-N 3.34Å; D631-P635 WeakPolarHBondContact O-CD 3.2Å
632S86.9Confident88.5Confident50 Ų5062.2 Ų62.235%0.3531%0.314SS..G310 helixtrans-81.7-9.8178.7-59.50000113.4K629 H630 C636K629-S632 WeakPolarHBondContact O-CB 3.39Å; K629-S632 PolarHBondContact O-N 3.08Å; H630-S632 PolarHBondContact O-N 3.33Å; H630-S632 VanDerWaalsContact O-N 3.09Å; S632-C636 WeakPolarHBondContact O-CB 3.41Å; S632-C636 PolarHBondContact O-N 2.95Å; S632-C636 VanDerWaalsContact O-N 3.16Å; S632-C636 PolarHBondContact O-SG 3.37Å
633F89.8Confident88.5Confident0 Ų059.6 Ų59.60%030%0.301CS..Hα-helixtrans-65.9-45.5-175.7-75.216.3000111.5L621 A624 A625 H630 D631 C636 S637 C678 A681 T696 V699L621-F633 HydrophobicContact CD1-CB 4.48Å; L621-F633 HydrophobicContact CD1-CD1 4.17Å; L621-F633 HydrophobicContact CD1-CG 4.33Å; A624-F633 HydrophobicContact CB-CD1 4.35Å; A624-F633 HydrophobicContact CB-CE1 4.32Å; A625-F633 HydrophobicContact CB-CE1 4.19Å; A625-F633 HydrophobicContact CB-CZ 4.08Å; H630-F633 AromaticContact CE1-CZ 3.92Å; H630-F633 AromaticContact ND1-CE1 3.91Å; H630-F633 AromaticContact ND1-CE2 3.47Å; H630-F633 WeakPolarHBondContact ND1-CE2 3.48Å; H630-F633 AromaticContact ND1-CZ 3.28Å; H630-F633 VanDerWaalsContact ND1-CZ 3.28Å; H630-F633 WeakPolarHBondContact ND1-CZ 3.18Å; H630-F633 VanDerWaalsContact O-CB 3.25Å; H630-F633 WeakPolarHBondContact O-CB 3.46Å; H630-F633 WeakPolarHBondContact O-CG 3.3Å; H630-F633 PolarHBondContact O-N 2.85Å; D631-F633 VanDerWaalsContact C-N 3.34Å; F633-C636 PolarHBondContact O-N 3.38Å; F633-S637 WeakPolarHBondContact O-CB 3.47Å; F633-S637 PolarHBondContact O-N 3.14Å; F633-C678 HydrophobicContact CB-CB 3.97Å; F633-A681 HydrophobicContact CD2-CB 3.8Å; F633-A681 HydrophobicContact CE2-CB 4.47Å; F633-T696 HydrophobicContact CZ-CG2 4.2Å; F633-V699 HydrophobicContact CD2-CG1 4.28Å; F633-V699 HydrophobicContact CD2-CG2 4.11Å; F633-V699 HydrophobicContact CE2-CB 4.46Å; F633-V699 HydrophobicContact CE2-CG1 4.29Å; F633-V699 HydrophobicContact CE2-CG2 4.29Å
634V88.9Confident88.7Confident29 Ų2953.8 Ų53.818%0.17628%0.279CS..Hα-helixtrans-63.5-53.5-179.1176.40000111.6C636 S637 E638 C678 R679 V682V634-C636 PolarHBondContact O-N 2.85Å; V634-S637 PolarHBondContact O-N 3.44Å; V634-S637 PolarHBondContact O-OG 3.31Å; V634-E638 PolarHBondContact O-N 2.9Å; V634-C678 HydrophobicContact CG2-CB 4.39Å; V634-C678 VanDerWaalsContact CG2-O 3.31Å; V634-C678 WeakPolarHBondContact CG2-O 3.47Å; V634-R679 HydrophobicContact CG2-CG 4.43Å; V634-V682 HydrophobicContact CG2-CG2 3.91Å
635P88.8Confident88.9Confident66 Ų6656.9 Ų56.943%0.42930%0.297SS..Hα-helixtrans-62.9-23.6177.1-2435.2000114.8D631 R639D631-P635 WeakPolarHBondContact O-CD 3.2Å; P635-R639 WeakPolarHBondContact O-CG 3.23Å; P635-R639 PolarHBondContact O-NE 2.87Å
636C90.3Very high89.1Confident7 Ų760.4 Ų60.45%0.04731%0.313CS..Hα-helixtrans-76.6-43170.7-67.30000111.6L621 S632 F633 V634 E638 R639 I640L621-C636 HydrophobicContact CB-CB 3.97Å; L621-C636 HydrophobicContact CD1-CB 3.9Å; L621-C636 HydrophobicContact CG-CB 4.49Å; S632-C636 WeakPolarHBondContact O-CB 3.41Å; S632-C636 PolarHBondContact O-N 2.95Å; S632-C636 VanDerWaalsContact O-N 3.16Å; S632-C636 PolarHBondContact O-SG 3.37Å; F633-C636 PolarHBondContact O-N 3.38Å; V634-C636 PolarHBondContact O-N 2.85Å; C636-E638 VanDerWaalsContact C-N 3.29Å; C636-E638 PolarHBondContact O-N 3.03Å; C636-R639 PolarHBondContact O-N 3.36Å; C636-R639 PolarHBondContact SG-NH2 3.47Å; C636-I640 VanDerWaalsContact O-CG1 3.31Å; C636-I640 WeakPolarHBondContact O-CG1 3.42Å; C636-I640 PolarHBondContact O-N 3.21Å
637S92.4Very high89.3Confident1 Ų153.3 Ų53.31%0.00728%0.279CS..Hα-helixtrans-61.2-35.8178.1770000113F633 V634 I640 H641F633-S637 WeakPolarHBondContact O-CB 3.47Å; F633-S637 PolarHBondContact O-N 3.14Å; V634-S637 PolarHBondContact O-N 3.44Å; V634-S637 PolarHBondContact O-OG 3.31Å; S637-I640 PolarHBondContact O-N 2.74Å; S637-H641 WeakPolarHBondContact O-CB 3.26Å; S637-H641 PolarHBondContact O-N 2.74Å
638E92Very high89.5Confident85 Ų8550.4 Ų50.440%0.39727%0.268SS..Hα-helixtrans-69.1-43.8177.2-69.517615900111.7V634 C636 I640 H641 V642V634-E638 PolarHBondContact O-N 2.9Å; C636-E638 VanDerWaalsContact C-N 3.29Å; C636-E638 PolarHBondContact O-N 3.03Å; E638-I640 VanDerWaalsContact C-N 3.33Å; E638-I640 PolarHBondContact O-N 3.09Å; E638-H641 PolarHBondContact O-N 2.81Å; E638-V642 WeakPolarHBondContact O-CG2 3.21Å; E638-V642 PolarHBondContact O-N 3.42Å
639R92.4Very high89.8Confident97 Ų9749 Ų4937%0.36627%0.271SS..Hα-helixtrans-67.4-32.1175.2-66.6-178.5-60.9136.6-3.9112.8N617 E620 P635 C636 A643N617-R639 PolarHBondContact ND2-O 2.85Å; E620-R639 IonicContact OE2-CZ 3.86Å; E620-R639 IonicContact OE2-NH1 3.5Å; E620-R639 PolarHBondContact OE2-NH1 3.34Å; E620-R639 IonicContact OE2-NH2 3.91Å; E620-R639 PolarHBondContact OE2-NH2 2.91Å; P635-R639 WeakPolarHBondContact O-CG 3.23Å; P635-R639 PolarHBondContact O-NE 2.87Å; C636-R639 PolarHBondContact O-N 3.36Å; C636-R639 PolarHBondContact SG-NH2 3.47Å; R639-A643 WeakPolarHBondContact O-CB 3.27Å; R639-A643 PolarHBondContact O-N 3.46Å
640I93.1Very high89.8Confident0 Ų046.3 Ų46.30%026%0.262CS..Hα-helixtrans-67.4-44.7170.6-67.2165000110.2N617 I618 L621 C636 S637 E638 A643 V644 L674 I706N617-I640 HydrophobicContact CB-CG1 3.59Å; I618-I640 HydrophobicContact CG1-CD1 3.92Å; I618-I640 HydrophobicContact CG1-CG1 4.26Å; L621-I640 HydrophobicContact CB-CD1 4.04Å; L621-I640 HydrophobicContact CD2-CD1 3.62Å; L621-I640 HydrophobicContact CG-CD1 4.46Å; C636-I640 VanDerWaalsContact O-CG1 3.31Å; C636-I640 WeakPolarHBondContact O-CG1 3.42Å; C636-I640 PolarHBondContact O-N 3.21Å; S637-I640 PolarHBondContact O-N 2.74Å; E638-I640 VanDerWaalsContact C-N 3.33Å; E638-I640 PolarHBondContact O-N 3.09Å; I640-A643 PolarHBondContact O-N 2.67Å; I640-V644 WeakPolarHBondContact O-CB 3.34Å; I640-V644 WeakPolarHBondContact O-CG2 3.24Å; I640-V644 PolarHBondContact O-N 2.97Å; I640-L674 HydrophobicContact CB-CD2 4.15Å; I640-L674 HydrophobicContact CD1-CD2 3.69Å; I640-L674 HydrophobicContact CG2-CD2 3.84Å; I640-I706 HydrophobicContact CG2-CD1 3.86Å; I640-I706 HydrophobicContact CG2-CG2 4.43Å
641H93.6Very high90.1Very high49 Ų4945 Ų4523%0.22726%0.256CS..Hα-helixtrans-61.2-49.4178.7-171.8105.9000111.9S637 E638 A643 V644 T645 Q675S637-H641 WeakPolarHBondContact O-CB 3.26Å; S637-H641 PolarHBondContact O-N 2.74Å; E638-H641 PolarHBondContact O-N 2.81Å; H641-A643 VanDerWaalsContact C-N 3.35Å; H641-A643 PolarHBondContact O-N 3.15Å; H641-V644 CarbonylContact O-C 3.59Å; H641-V644 WeakPolarHBondContact O-CA 3.43Å; H641-V644 WeakPolarHBondContact O-CB 3.49Å; H641-V644 PolarHBondContact O-N 3.06Å; H641-V644 VanDerWaalsContact O-N 3.08Å; H641-T645 PolarHBondContact CD2-OG1 2.72Å; H641-T645 PolarHBondContact O-N 3.01Å; H641-T645 PolarHBondContact O-OG1 2.8Å; H641-Q675 HydrophobicContact CB-CG 4.25Å; H641-Q675 PolarHBondContact CE1-OE1 3.12Å; H641-Q675 VanDerWaalsContact ND1-CD 3.32Å; H641-Q675 PolarHBondContact ND1-OE1 2.96Å
642V93.6Very high90Very high79 Ų7939.8 Ų39.848%0.47923%0.23SC..Hα-helixtrans-56.7-47.4177.7172.20000111.2E638 V644 T645 E646E638-V642 WeakPolarHBondContact O-CG2 3.21Å; E638-V642 PolarHBondContact O-N 3.42Å; V642-V644 VanDerWaalsContact C-N 3.29Å; V642-V644 PolarHBondContact O-N 2.71Å; V642-T645 PolarHBondContact O-N 3.24Å; V642-T645 VanDerWaalsContact O-N 3.16Å; V642-E646 HydrophobicContact CG1-CG 4.49Å; V642-E646 WeakPolarHBondContact O-CG 3.43Å; V642-E646 PolarHBondContact O-N 3.01Å
643A91.3Very high89.3Confident3 Ų347.9 Ų47.93%0.02526%0.259CS..Hα-helixtrans-63.2-33.3177.700000112.9Q613 I614 R639 I640 H641 M647Q613-A643 HydrophobicContact CG-CB 4.12Å; I614-A643 HydrophobicContact CG1-CB 3.67Å; R639-A643 WeakPolarHBondContact O-CB 3.27Å; R639-A643 PolarHBondContact O-N 3.46Å; I640-A643 PolarHBondContact O-N 2.67Å; H641-A643 VanDerWaalsContact C-N 3.35Å; H641-A643 PolarHBondContact O-N 3.15Å; A643-M647 WeakPolarHBondContact O-CB 3.38Å; A643-M647 PolarHBondContact O-N 3.38Å
644V93.8Very high88.3Confident2 Ų256.6 Ų56.61%0.01230%0.297CS..Hα-helixtrans-70.1-41.4172.2163.20000112.1I614 I640 H641 V642 E646 M647 A648 L667 A671 I706I614-V644 HydrophobicContact CD1-CG2 3.81Å; I614-V644 HydrophobicContact CG1-CG2 4.12Å; I614-V644 HydrophobicContact CG2-CG2 4.48Å; I640-V644 WeakPolarHBondContact O-CB 3.34Å; I640-V644 WeakPolarHBondContact O-CG2 3.24Å; I640-V644 PolarHBondContact O-N 2.97Å; H641-V644 CarbonylContact O-C 3.59Å; H641-V644 WeakPolarHBondContact O-CA 3.43Å; H641-V644 WeakPolarHBondContact O-CB 3.49Å; H641-V644 PolarHBondContact O-N 3.06Å; H641-V644 VanDerWaalsContact O-N 3.08Å; V642-V644 VanDerWaalsContact C-N 3.29Å; V642-V644 PolarHBondContact O-N 2.71Å; V644-E646 VanDerWaalsContact C-N 3.35Å; V644-M647 PolarHBondContact O-N 3.34Å; V644-A648 WeakPolarHBondContact O-CB 3.4Å; V644-A648 PolarHBondContact O-N 3.24Å; V644-L667 HydrophobicContact CB-CD2 4.48Å; V644-L667 HydrophobicContact CB-CG 4.46Å; V644-L667 HydrophobicContact CG1-CD2 3.92Å; V644-L667 HydrophobicContact CG1-CG 3.79Å; V644-L667 HydrophobicContact CG2-CD1 4.18Å; V644-L667 HydrophobicContact CG2-CD2 4.25Å; V644-L667 HydrophobicContact CG2-CG 3.95Å; V644-A671 HydrophobicContact CB-CB 4.09Å; V644-A671 HydrophobicContact CG1-CB 3.83Å; V644-A671 HydrophobicContact CG2-CB 4.14Å; V644-I706 HydrophobicContact CG2-CG2 3.99Å
645T91.1Very high87.6Confident73 Ų7355.7 Ų55.745%0.44829%0.292SS..Hα-helixtrans-61.8-43.8174.7-49.30000110.9H641 V642 A648 A649H641-T645 PolarHBondContact CD2-OG1 2.72Å; H641-T645 PolarHBondContact O-N 3.01Å; H641-T645 PolarHBondContact O-OG1 2.8Å; V642-T645 PolarHBondContact O-N 3.24Å; V642-T645 VanDerWaalsContact O-N 3.16Å; T645-A648 PolarHBondContact O-N 3.42Å; T645-A649 WeakPolarHBondContact O-CB 3.47Å; T645-A649 PolarHBondContact O-N 3.12Å
646E91.4Very high86.7Confident81 Ų8160.9 Ų60.938%0.37930%0.303SS..Hα-helixtrans-63.4-42.1174.7-71.4177.2-178.600112.4K610 V642 V644 A648 A649 L650K610-E646 HydrophobicContact CD-CB 4.27Å; K610-E646 IonicContact NZ-OE2 3.48Å; K610-E646 PolarHBondContact NZ-OE2 2.85Å; V642-E646 HydrophobicContact CG1-CG 4.49Å; V642-E646 WeakPolarHBondContact O-CG 3.43Å; V642-E646 PolarHBondContact O-N 3.01Å; V644-E646 VanDerWaalsContact C-N 3.35Å; E646-A648 VanDerWaalsContact C-N 3.34Å; E646-A649 PolarHBondContact O-N 3.06Å; E646-L650 PolarHBondContact O-N 2.85Å
647M90.1Very high86.2Confident0 Ų061.9 Ų61.90%031%0.31CS..Hα-helixtrans-63.4-41175.1-170.5-176.7-172.900111.5V607 K610 T611 I614 A643 V644 A649 L650 F651 L667 A710 L713V607-M647 HydrophobicContact CG1-CE 3.68Å; K610-M647 HydrophobicContact CB-CB 3.95Å; K610-M647 HydrophobicContact CB-CG 3.97Å; T611-M647 WeakPolarHBondContact OG1-CE 3.28Å; I614-M647 HydrophobicContact CD1-CB 3.88Å; I614-M647 HydrophobicContact CD1-CG 4.26Å; I614-M647 HydrophobicContact CD1-SD 3.46Å; I614-M647 WeakPolarHBondContact CD1-SD 3.43Å; A643-M647 WeakPolarHBondContact O-CB 3.38Å; A643-M647 PolarHBondContact O-N 3.38Å; V644-M647 PolarHBondContact O-N 3.34Å; M647-A649 VanDerWaalsContact C-N 3.33Å; M647-L650 WeakPolarHBondContact O-CB 3.48Å; M647-L650 PolarHBondContact O-N 3Å; M647-F651 VanDerWaalsContact O-CD2 3.3Å; M647-F651 WeakPolarHBondContact O-CD2 3.37Å; M647-L667 HydrophobicContact CB-CD2 4.41Å; M647-L667 HydrophobicContact CG-CD2 4.34Å; M647-L667 HydrophobicContact SD-CD2 3.64Å; M647-A710 HydrophobicContact CE-CB 4.29Å; M647-A710 HydrophobicContact SD-CB 4.19Å; M647-L713 HydrophobicContact CE-CB 3.78Å; M647-L713 HydrophobicContact CE-CD1 3.71Å; M647-L713 HydrophobicContact CE-CG 4.39Å; M647-L713 HydrophobicContact SD-CD1 4.2Å
648A89.2Confident85.6Confident30 Ų3067.1 Ų67.125%0.24833%0.334CS..Hα-helixtrans-67.7-33.117700000112.5V644 T645 E646 L650 F651 L664V644-A648 WeakPolarHBondContact O-CB 3.4Å; V644-A648 PolarHBondContact O-N 3.24Å; T645-A648 PolarHBondContact O-N 3.42Å; E646-A648 VanDerWaalsContact C-N 3.34Å; A648-L650 PolarHBondContact O-N 3.13Å; A648-F651 PolarHBondContact O-N 3.44Å; A648-F651 VanDerWaalsContact O-N 3.14Å; A648-L664 HydrophobicContact CB-CD2 4.23Å
649A88.3Confident85.2Confident81 Ų8166.9 Ų66.967%0.66934%0.339SS*.Hα-helixtrans-68.2-16.317700000114.1T645 E646 M647 F651T645-A649 WeakPolarHBondContact O-CB 3.47Å; T645-A649 PolarHBondContact O-N 3.12Å; E646-A649 PolarHBondContact O-N 3.06Å; M647-A649 VanDerWaalsContact C-N 3.33Å; A649-F651 PolarHBondContact O-N 2.75Å
650L85.9Confident84.9Confident51 Ų5162.3 Ų62.327%0.26732%0.321SS..THydrogen-bonded Turntrans-68.3-19.9170.6-62.5-178.8000113.1P602 D606 V607 K610 E646 M647 A648P602-L650 HydrophobicContact CB-CB 3.91Å; P602-L650 WeakPolarHBondContact CB-O 3.2Å; P602-L650 HydrophobicContact CG-CB 4.16Å; D606-L650 HydrophobicContact CB-CD1 3.94Å; D606-L650 HydrophobicContact CB-CD2 4.47Å; V607-L650 HydrophobicContact CG2-CD1 4.3Å; K610-L650 HydrophobicContact CB-CD1 4.34Å; K610-L650 HydrophobicContact CG-CD1 3.78Å; E646-L650 PolarHBondContact O-N 2.85Å; M647-L650 WeakPolarHBondContact O-CB 3.48Å; M647-L650 PolarHBondContact O-N 3Å; A648-L650 PolarHBondContact O-N 3.13Å
651F87.1Confident84.5Confident13 Ų1365.5 Ų65.56%0.05733%0.334CS..SBendtrans-101.8144.8-174.5-65.8-95.3000111.6P602 V607 M647 A648 A649 V660 L664 L713 T717P602-F651 HydrophobicContact CG-CD1 3.76Å; P602-F651 HydrophobicContact CG-CD2 4.28Å; P602-F651 HydrophobicContact CG-CE1 3.58Å; P602-F651 HydrophobicContact CG-CE2 4.11Å; P602-F651 HydrophobicContact CG-CG 4.11Å; P602-F651 HydrophobicContact CG-CZ 3.77Å; V607-F651 HydrophobicContact CG1-CZ 4.29Å; V607-F651 HydrophobicContact CG2-CE2 4.27Å; V607-F651 HydrophobicContact CG2-CZ 3.87Å; M647-F651 VanDerWaalsContact O-CD2 3.3Å; M647-F651 WeakPolarHBondContact O-CD2 3.37Å; A648-F651 PolarHBondContact O-N 3.44Å; A648-F651 VanDerWaalsContact O-N 3.14Å; A649-F651 PolarHBondContact O-N 2.75Å; F651-V660 HydrophobicContact CD1-CG1 3.64Å; F651-V660 HydrophobicContact CE1-CG1 3.71Å; F651-L664 HydrophobicContact CB-CD1 3.73Å; F651-L664 HydrophobicContact CD1-CD1 4.16Å; F651-L664 HydrophobicContact CD2-CD1 4.07Å; F651-L664 HydrophobicContact CD2-CD2 3.75Å; F651-L664 HydrophobicContact CD2-CG 4.43Å; F651-L664 HydrophobicContact CE2-CD2 4.05Å; F651-L664 HydrophobicContact CG-CD1 3.73Å; F651-L664 HydrophobicContact CG-CD2 4.28Å; F651-L713 HydrophobicContact CZ-CD2 4.21Å; F651-T717 HydrophobicContact CE1-CG2 4Å; F651-T717 HydrophobicContact CZ-CG2 4.19Å
652P80.3Confident84.1Confident39 Ų3964.9 Ų64.925%0.25334%0.34SS..  trans-61.4145.4176.425.9-34.7000111P599 K654 P655P599-P652 HydrophobicContact CB-CB 4.05Å; P599-P652 HydrophobicContact CB-CG 4.2Å; P652-K654 CarbonylContact O-C 3.57Å; P652-K654 PolarHBondContact O-N 2.97Å; P652-P655 VanDerWaalsContact O-CD 3.23Å; P652-P655 WeakPolarHBondContact O-CD 3.35Å
653K71.3Confident83.9Confident220 Ų22061.5 Ų61.596%0.95732%0.321SS*.SBendtrans-53.9-16.8-175.3-65.5178.3-178.7172.50115
654K69.3Low83.8Confident183 Ų18362.3 Ų62.380%0.79632%0.324SS*.SBendtrans-136.892.1168.6-66.7179.1-178.1173.90109.4P652 R656P652-K654 CarbonylContact O-C 3.57Å; P652-K654 PolarHBondContact O-N 2.97Å; K654-R656 PolarHBondContact O-N 2.94Å
655P75.4Confident83.6Confident10 Ų1069.5 Ų69.57%0.06535%0.351CS..  trans-64133.9174.2-20.233000110.6P652 V660 R661 L664P652-P655 VanDerWaalsContact O-CD 3.23Å; P652-P655 WeakPolarHBondContact O-CD 3.35Å; P655-V660 HydrophobicContact CB-CB 4.33Å; P655-V660 HydrophobicContact CB-CG1 3.97Å; P655-V660 HydrophobicContact CG-CG1 4.27Å; P655-R661 PolarHBondContact O-NE 3.08Å; P655-R661 PolarHBondContact O-NH2 2.93Å; P655-L664 HydrophobicContact CG-CD1 3.95Å
656R69.1Low83.5Confident174 Ų17469.3 Ų69.366%0.65735%0.347SS*.SBendtrans-59.4-48.6175.5-71.7177.5172.7146.30.1110.5D598 K654 R661D598-R656 IonicContact OD1-CZ 3.51Å; D598-R656 VanDerWaalsContact OD1-CZ 3.27Å; D598-R656 IonicContact OD1-NH1 3.99Å; D598-R656 PolarHBondContact OD1-NH1 2.84Å; D598-R656 IonicContact OD1-NH2 3.58Å; D598-R656 PolarHBondContact OD1-NH2 3.36Å; D598-R656 IonicContact OD2-NH1 2.67Å; D598-R656 PolarHBondContact OD2-NH1 3.4Å; K654-R656 PolarHBondContact O-N 2.94Å; R656-R661 PolarHBondContact O-NH2 3.43Å; R656-R661 VanDerWaalsContact O-NH2 3.15Å
657S80.5Confident83.6Confident29 Ų2965.5 Ų65.520%0.20333%0.329CS..  trans-69124.4179.6-167.80000112.7T659 R661 E720S657-T659 PolarHBondContact OG-OG1 3.46Å; S657-T659 VanDerWaalsContact OG-OG1 3.07Å; S657-R661 PolarHBondContact O-N 3.11Å; S657-E720 WeakPolarHBondContact CB-OE1 3.31Å; S657-E720 PolarHBondContact OG-OE1 3.36Å
658E80.1Confident83.7Confident110 Ų11068.3 Ų68.351%0.51435%0.346SS..Hα-helixtrans-70.3-31.4179.7-167.172.1-110.700112R661 G662 R665E658-R661 WeakPolarHBondContact O-CB 3.37Å; E658-R661 PolarHBondContact O-N 3.34Å; E658-R661 IonicContact OE1-CZ 3.8Å; E658-R661 IonicContact OE1-NE 2.68Å; E658-R661 IonicContact OE1-NH1 3.3Å; E658-R661 PolarHBondContact OE1-NH1 2.85Å; E658-R661 IonicContact OE2-CZ 3.68Å; E658-R661 IonicContact OE2-NH1 3.01Å; E658-R661 PolarHBondContact OE2-NH1 3.35Å; E658-R661 IonicContact OE2-NH2 3.42Å; E658-G662 PolarHBondContact O-N 3.39Å; E658-R665 IonicContact OE1-NH1 3.26Å
659T82.7Confident83.8Confident81 Ų8171.1 Ų71.150%0.49736%0.361SS..Hα-helixtrans-65.7-46.8178.154.90000110.7S657 R661 G662 S663S657-T659 PolarHBondContact OG-OG1 3.46Å; S657-T659 VanDerWaalsContact OG-OG1 3.07Å; T659-R661 VanDerWaalsContact C-N 3.29Å; T659-R661 PolarHBondContact O-N 3.11Å; T659-G662 PolarHBondContact O-N 2.82Å; T659-S663 PolarHBondContact O-N 2.75Å; T659-S663 PolarHBondContact O-OG 3.17Å
660V85.3Confident84Confident0 Ų067.4 Ų67.40%033%0.33CS..Hα-helixtrans-55.6-45.9171.3177.60000110.6F651 P655 G662 S663 L664 L713 I716F651-V660 HydrophobicContact CD1-CG1 3.64Å; F651-V660 HydrophobicContact CE1-CG1 3.71Å; P655-V660 HydrophobicContact CB-CB 4.33Å; P655-V660 HydrophobicContact CB-CG1 3.97Å; P655-V660 HydrophobicContact CG-CG1 4.27Å; V660-G662 PolarHBondContact O-N 3.13Å; V660-S663 PolarHBondContact O-N 2.8Å; V660-L664 HydrophobicContact CG1-CD1 3.85Å; V660-L664 HydrophobicContact CG1-CG 4.4Å; V660-L664 WeakPolarHBondContact O-CB 3.41Å; V660-L664 WeakPolarHBondContact O-CG 3.32Å; V660-L664 PolarHBondContact O-N 3.5Å; V660-L713 HydrophobicContact CG1-CD2 4.11Å; V660-I716 HydrophobicContact CG2-CB 4.42Å; V660-I716 HydrophobicContact CG2-CG2 3.54Å
661R84.6Confident84.3Confident67 Ų6765 Ų6525%0.25332%0.317SS..Hα-helixtrans-64.7-38.4179.6-156.4-174.3-51.6138.65.9112.7P655 R656 S657 E658 T659 R665P655-R661 PolarHBondContact O-NE 3.08Å; P655-R661 PolarHBondContact O-NH2 2.93Å; R656-R661 PolarHBondContact O-NH2 3.43Å; R656-R661 VanDerWaalsContact O-NH2 3.15Å; S657-R661 PolarHBondContact O-N 3.11Å; E658-R661 WeakPolarHBondContact O-CB 3.37Å; E658-R661 PolarHBondContact O-N 3.34Å; E658-R661 IonicContact OE1-CZ 3.8Å; E658-R661 IonicContact OE1-NE 2.68Å; E658-R661 IonicContact OE1-NH1 3.3Å; E658-R661 PolarHBondContact OE1-NH1 2.85Å; E658-R661 IonicContact OE2-CZ 3.68Å; E658-R661 IonicContact OE2-NH1 3.01Å; E658-R661 PolarHBondContact OE2-NH1 3.35Å; E658-R661 IonicContact OE2-NH2 3.42Å; T659-R661 VanDerWaalsContact C-N 3.29Å; T659-R661 PolarHBondContact O-N 3.11Å; R661-R665 WeakPolarHBondContact O-CB 3.41Å; R661-R665 VanDerWaalsContact O-CG 3.24Å; R661-R665 WeakPolarHBondContact O-CG 3.25Å; R661-R665 PolarHBondContact O-N 3.49Å; R661-R665 VanDerWaalsContact O-N 3.07Å
662G85.8Confident84.6Confident36 Ų3666.8 Ų66.837%0.37133%0.331SS..Hα-helixtrans-65.1-49.4173.800000112.2E658 T659 V660 R665 L666E658-G662 PolarHBondContact O-N 3.39Å; T659-G662 PolarHBondContact O-N 2.82Å; V660-G662 PolarHBondContact O-N 3.13Å; G662-R665 PolarHBondContact O-N 2.93Å; G662-L666 WeakPolarHBondContact O-CB 3.29Å; G662-L666 PolarHBondContact O-N 3.28Å
663S89.6Confident85.1Confident9 Ų969.4 Ų69.46%0.06334%0.336CS..Hα-helixtrans-65.4-38.1178.5-65.80000112.6T659 V660 L666 L667 Q712T659-S663 PolarHBondContact O-N 2.75Å; T659-S663 PolarHBondContact O-OG 3.17Å; V660-S663 PolarHBondContact O-N 2.8Å; S663-L666 PolarHBondContact O-N 3.12Å; S663-L667 VanDerWaalsContact O-CB 3.29Å; S663-L667 WeakPolarHBondContact O-CB 3.45Å; S663-L667 PolarHBondContact O-N 3.32Å; S663-Q712 PolarHBondContact OG-OE1 3.03Å
664L89.5Confident86.2Confident19 Ų1959 Ų5910%0.09929%0.29CS..Hα-helixtrans-65.2-41.9173.1-76169.8000112.9A648 F651 P655 V660 T668 L713A648-L664 HydrophobicContact CB-CD2 4.23Å; F651-L664 HydrophobicContact CB-CD1 3.73Å; F651-L664 HydrophobicContact CD1-CD1 4.16Å; F651-L664 HydrophobicContact CD2-CD1 4.07Å; F651-L664 HydrophobicContact CD2-CD2 3.75Å; F651-L664 HydrophobicContact CD2-CG 4.43Å; F651-L664 HydrophobicContact CE2-CD2 4.05Å; F651-L664 HydrophobicContact CG-CD1 3.73Å; F651-L664 HydrophobicContact CG-CD2 4.28Å; P655-L664 HydrophobicContact CG-CD1 3.95Å; V660-L664 HydrophobicContact CG1-CD1 3.85Å; V660-L664 HydrophobicContact CG1-CG 4.4Å; V660-L664 WeakPolarHBondContact O-CB 3.41Å; V660-L664 WeakPolarHBondContact O-CG 3.32Å; V660-L664 PolarHBondContact O-N 3.5Å; L664-T668 WeakPolarHBondContact O-CB 3.42Å; L664-T668 PolarHBondContact O-N 2.88Å; L664-T668 PolarHBondContact O-OG1 3.35Å; L664-L713 HydrophobicContact CD2-CD1 3.79Å; L664-L713 HydrophobicContact CD2-CD2 4.37Å; L664-L713 HydrophobicContact CG-CD1 4.24Å; L664-L713 HydrophobicContact CG-CD2 4.02Å
665R88.9Confident87.3Confident153 Ų15351.9 Ų51.958%0.57726%0.26SS*.Hα-helixtrans-61-45.1172.9-78.3170.9176162.4-1111.2E658 R661 G662 T669E658-R665 IonicContact OE1-NH1 3.26Å; R661-R665 WeakPolarHBondContact O-CB 3.41Å; R661-R665 VanDerWaalsContact O-CG 3.24Å; R661-R665 WeakPolarHBondContact O-CG 3.25Å; R661-R665 PolarHBondContact O-N 3.49Å; R661-R665 VanDerWaalsContact O-N 3.07Å; G662-R665 PolarHBondContact O-N 2.93Å; R665-T669 VanDerWaalsContact O-CB 3.22Å; R665-T669 WeakPolarHBondContact O-CB 3.17Å; R665-T669 PolarHBondContact O-N 3.16Å; R665-T669 PolarHBondContact O-OG1 2.87Å
666L90.5Very high87.9Confident70 Ų7056.1 Ų56.137%0.36628%0.282SS..Hα-helixtrans-62.8-49.1177.5-179.260.9000111.5G662 S663 T668 T669 S670 A709G662-L666 WeakPolarHBondContact O-CB 3.29Å; G662-L666 PolarHBondContact O-N 3.28Å; S663-L666 PolarHBondContact O-N 3.12Å; L666-T668 PolarHBondContact O-N 3.04Å; L666-T669 PolarHBondContact O-N 3.18Å; L666-S670 WeakPolarHBondContact O-CB 3.38Å; L666-S670 PolarHBondContact O-N 2.92Å; L666-S670 PolarHBondContact O-OG 3.32Å; L666-A709 HydrophobicContact CB-CB 4.3Å; L666-A709 HydrophobicContact CD2-CB 4.05Å; L666-A709 HydrophobicContact CG-CB 4.03Å
667L91.9Very high88.8Confident0 Ų048.9 Ų48.90%026%0.256CS..Hα-helixtrans-54.8-50.7178-17178.5000111.4V644 M647 S663 A671 I706 A709 A710 L713V644-L667 HydrophobicContact CB-CD2 4.48Å; V644-L667 HydrophobicContact CB-CG 4.46Å; V644-L667 HydrophobicContact CG1-CD2 3.92Å; V644-L667 HydrophobicContact CG1-CG 3.79Å; V644-L667 HydrophobicContact CG2-CD1 4.18Å; V644-L667 HydrophobicContact CG2-CD2 4.25Å; V644-L667 HydrophobicContact CG2-CG 3.95Å; M647-L667 HydrophobicContact CB-CD2 4.41Å; M647-L667 HydrophobicContact CG-CD2 4.34Å; M647-L667 HydrophobicContact SD-CD2 3.64Å; S663-L667 VanDerWaalsContact O-CB 3.29Å; S663-L667 WeakPolarHBondContact O-CB 3.45Å; S663-L667 PolarHBondContact O-N 3.32Å; L667-A671 WeakPolarHBondContact O-CB 3.08Å; L667-A671 PolarHBondContact O-N 3.07Å; L667-I706 HydrophobicContact CD1-CG2 3.75Å; L667-I706 WeakPolarHBondContact CD1-O 3.45Å; L667-A709 HydrophobicContact CB-CB 3.92Å; L667-A709 HydrophobicContact CD1-CB 3.92Å; L667-A710 HydrophobicContact CD1-CB 3.93Å; L667-L713 HydrophobicContact CD2-CD1 4.05Å
668T92.1Very high89.1Confident59 Ų5947.5 Ų47.536%0.36225%0.246SC..Hα-helixtrans-67.5-44.4-178.4-49.20000111.5L664 L666 A671 C672L664-T668 WeakPolarHBondContact O-CB 3.42Å; L664-T668 PolarHBondContact O-N 2.88Å; L664-T668 PolarHBondContact O-OG1 3.35Å; L666-T668 PolarHBondContact O-N 3.04Å; T668-A671 PolarHBondContact O-N 3.04Å; T668-C672 PolarHBondContact O-N 2.85Å; T668-C672 PolarHBondContact O-SG 3.36Å; T668-C672 VanDerWaalsContact O-SG 3.36Å
669T91.8Very high89.4Confident90 Ų9049.1 Ų49.155%0.55225%0.247SC*.Hα-helixtrans-65.1-42.8-179.5-54.80000111.3R665 L666 A671 C672 R673R665-T669 VanDerWaalsContact O-CB 3.22Å; R665-T669 WeakPolarHBondContact O-CB 3.17Å; R665-T669 PolarHBondContact O-N 3.16Å; R665-T669 PolarHBondContact O-OG1 2.87Å; L666-T669 PolarHBondContact O-N 3.18Å; T669-A671 VanDerWaalsContact C-N 3.35Å; T669-C672 PolarHBondContact O-N 3.25Å; T669-R673 WeakPolarHBondContact O-CB 3.45Å; T669-R673 PolarHBondContact O-N 3.19Å
670S92.9Very high89.3Confident2 Ų249.9 Ų49.91%0.01424%0.244CC..Hα-helixtrans-68.6-31.5177.3-63.70000112.5L666 R673 L674L666-S670 WeakPolarHBondContact O-CB 3.38Å; L666-S670 PolarHBondContact O-N 2.92Å; L666-S670 PolarHBondContact O-OG 3.32Å; S670-R673 PolarHBondContact O-N 3.24Å; S670-L674 VanDerWaalsContact O-CB 3.29Å; S670-L674 WeakPolarHBondContact O-CB 3.39Å; S670-L674 PolarHBondContact O-N 3.49Å
671A92.9Very high88.7Confident1 Ų150.1 Ų50.11%0.00825%0.246CC..Hα-helixtrans-67.8-41.9171.900000112.8V644 L667 T668 T669 L674 Q675 I706V644-A671 HydrophobicContact CB-CB 4.09Å; V644-A671 HydrophobicContact CG1-CB 3.83Å; V644-A671 HydrophobicContact CG2-CB 4.14Å; L667-A671 WeakPolarHBondContact O-CB 3.08Å; L667-A671 PolarHBondContact O-N 3.07Å; T668-A671 PolarHBondContact O-N 3.04Å; T669-A671 VanDerWaalsContact C-N 3.35Å; A671-L674 PolarHBondContact O-N 2.74Å; A671-Q675 PolarHBondContact O-N 3.3Å; A671-Q675 VanDerWaalsContact O-N 3.14Å; A671-I706 HydrophobicContact CB-CD1 4.24Å
672C91.6Very high88Confident50 Ų5050.8 Ų50.834%0.33826%0.257SS..Hα-helixtrans-65.1-40.2172.1-64.80000111.9T668 T669 Q675 N676T668-C672 PolarHBondContact O-N 2.85Å; T668-C672 PolarHBondContact O-SG 3.36Å; T668-C672 VanDerWaalsContact O-SG 3.36Å; T669-C672 PolarHBondContact O-N 3.25Å; C672-Q675 PolarHBondContact O-N 3.26Å; C672-N676 PolarHBondContact O-N 2.96Å
673R92.3Very high86.8Confident95 Ų9554.2 Ų54.236%0.35827%0.273SS..Hα-helixtrans-61.9-45.9175.2-159.8179.476.5-152.1-0.8110.7T669 S670 Q675 N676 E677 C702 D705T669-R673 WeakPolarHBondContact O-CB 3.45Å; T669-R673 PolarHBondContact O-N 3.19Å; S670-R673 PolarHBondContact O-N 3.24Å; R673-Q675 PolarHBondContact O-N 3.35Å; R673-N676 PolarHBondContact O-N 2.95Å; R673-N676 VanDerWaalsContact O-N 3.13Å; R673-E677 WeakPolarHBondContact O-CG 3.38Å; R673-E677 PolarHBondContact O-N 3.37Å; R673-C702 PolarHBondContact NE-SG 3.4Å; R673-C702 PolarHBondContact NH2-SG 2.92Å; R673-D705 IonicContact CZ-OD2 2.67Å; R673-D705 IonicContact NH1-OD2 2.71Å; R673-D705 PolarHBondContact NH1-OD2 2.91Å; R673-D705 IonicContact NH2-OD2 3.68Å; R673-D705 PolarHBondContact NH2-OD2 3.34Å
674L92.8Very high85.2Confident0 Ų060.9 Ų60.90%031%0.307CS..Hα-helixtrans-55.4-48.4176.4177.262.4000112.4L621 I640 S670 A671 N676 E677 C678 V699 C702 I706L621-L674 HydrophobicContact CD2-CD1 3.77Å; L621-L674 HydrophobicContact CD2-CD2 3.99Å; L621-L674 HydrophobicContact CD2-CG 4.46Å; I640-L674 HydrophobicContact CB-CD2 4.15Å; I640-L674 HydrophobicContact CD1-CD2 3.69Å; I640-L674 HydrophobicContact CG2-CD2 3.84Å; S670-L674 VanDerWaalsContact O-CB 3.29Å; S670-L674 WeakPolarHBondContact O-CB 3.39Å; S670-L674 PolarHBondContact O-N 3.49Å; A671-L674 PolarHBondContact O-N 2.74Å; L674-N676 VanDerWaalsContact C-N 3.29Å; L674-N676 PolarHBondContact O-N 3.03Å; L674-E677 PolarHBondContact O-N 3.46Å; L674-C678 WeakPolarHBondContact O-CB 3.44Å; L674-C678 PolarHBondContact O-N 3.09Å; L674-C678 PolarHBondContact O-SG 3.14Å; L674-V699 HydrophobicContact CD1-CB 4.43Å; L674-V699 HydrophobicContact CD1-CG1 3.96Å; L674-C702 HydrophobicContact CB-CB 3.81Å; L674-C702 HydrophobicContact CD1-CB 3.91Å; L674-C702 HydrophobicContact CG-CB 4.42Å; L674-I706 HydrophobicContact CB-CD1 4.19Å; L674-I706 HydrophobicContact CD2-CD1 3.72Å
675Q92.8Very high83.3Confident35 Ų3568.3 Ų68.316%0.16435%0.347CS..Hα-helixtrans-59.8-38.9177.2-75.5179.6-46.400112.7H641 A671 C672 R673 R679H641-Q675 HydrophobicContact CB-CG 4.25Å; H641-Q675 PolarHBondContact CE1-OE1 3.12Å; H641-Q675 VanDerWaalsContact ND1-CD 3.32Å; H641-Q675 PolarHBondContact ND1-OE1 2.96Å; A671-Q675 PolarHBondContact O-N 3.3Å; A671-Q675 VanDerWaalsContact O-N 3.14Å; C672-Q675 PolarHBondContact O-N 3.26Å; R673-Q675 PolarHBondContact O-N 3.35Å; Q675-R679 WeakPolarHBondContact O-CB 3.3Å; Q675-R679 VanDerWaalsContact O-CG 3.24Å; Q675-R679 WeakPolarHBondContact O-CG 3.34Å; Q675-R679 PolarHBondContact O-N 3.22Å
676N87.7Confident81.7Confident98 Ų9865.3 Ų65.352%0.52436%0.364SS..Hα-helixtrans-67.8-40.7177.3-71-20.6000111.9C672 R673 L674 R679 K680C672-N676 PolarHBondContact O-N 2.96Å; R673-N676 PolarHBondContact O-N 2.95Å; R673-N676 VanDerWaalsContact O-N 3.13Å; L674-N676 VanDerWaalsContact C-N 3.29Å; L674-N676 PolarHBondContact O-N 3.03Å; N676-R679 PolarHBondContact O-N 3.12Å; N676-K680 PolarHBondContact O-N 3.36Å
677E88.1Confident79.8Confident22 Ų2266.1 Ų66.110%0.10338%0.375CS..Hα-helixtrans-68.3-42.8175.5-60.4-45.713600112.2R673 L674 R679 K680 Q698 V699R673-E677 WeakPolarHBondContact O-CG 3.38Å; R673-E677 PolarHBondContact O-N 3.37Å; L674-E677 PolarHBondContact O-N 3.46Å; E677-R679 PolarHBondContact O-N 3.22Å; E677-K680 WeakPolarHBondContact O-CB 3.47Å; E677-K680 PolarHBondContact O-N 3.13Å; E677-K680 IonicContact OE1-NZ 2.73Å; E677-K680 PolarHBondContact OE1-NZ 3.22Å; E677-K680 WeakPolarHBondContact OE2-CD 3.4Å; E677-K680 WeakPolarHBondContact OE2-CE 3.28Å; E677-K680 IonicContact OE2-NZ 2.62Å; E677-K680 PolarHBondContact OE2-NZ 3.42Å; E677-Q698 HydrophobicContact CG-CB 4.32Å; E677-Q698 PolarHBondContact OE2-OE1 3.44Å; E677-Q698 VanDerWaalsContact OE2-OE1 3.12Å; E677-V699 HydrophobicContact CB-CG2 3.89Å
678C87.6Confident78Confident0 Ų071.7 Ų71.70%041%0.414CS..Hα-helixtrans-62.6-29.6174.7-68.20000112.8F633 V634 L674 A681F633-C678 HydrophobicContact CB-CB 3.97Å; V634-C678 HydrophobicContact CG2-CB 4.39Å; V634-C678 VanDerWaalsContact CG2-O 3.31Å; V634-C678 WeakPolarHBondContact CG2-O 3.47Å; L674-C678 WeakPolarHBondContact O-CB 3.44Å; L674-C678 PolarHBondContact O-N 3.09Å; L674-C678 PolarHBondContact O-SG 3.14Å; C678-A681 WeakPolarHBondContact O-CB 3.39Å; C678-A681 PolarHBondContact O-N 2.98Å
679R85.5Confident76.4Confident145 Ų14571.9 Ų71.955%0.54743%0.427SS..Hα-helixtrans-70.4-28.4172.8-76.8169.7-176.1-122.5-6.3113.3V634 Q675 N676 E677 A681 V682V634-R679 HydrophobicContact CG2-CG 4.43Å; Q675-R679 WeakPolarHBondContact O-CB 3.3Å; Q675-R679 VanDerWaalsContact O-CG 3.24Å; Q675-R679 WeakPolarHBondContact O-CG 3.34Å; Q675-R679 PolarHBondContact O-N 3.22Å; N676-R679 PolarHBondContact O-N 3.12Å; E677-R679 PolarHBondContact O-N 3.22Å; R679-A681 PolarHBondContact O-N 2.79Å; R679-V682 PolarHBondContact O-N 2.75Å
680K81.9Confident75.1Confident97 Ų9770.6 Ų70.642%0.42242%0.421SS..Hα-helixtrans-70.5-17.6172.8-60.9177.8-157.9164.50113N676 E677 V682 P690 V695N676-K680 PolarHBondContact O-N 3.36Å; E677-K680 WeakPolarHBondContact O-CB 3.47Å; E677-K680 PolarHBondContact O-N 3.13Å; E677-K680 IonicContact OE1-NZ 2.73Å; E677-K680 PolarHBondContact OE1-NZ 3.22Å; E677-K680 WeakPolarHBondContact OE2-CD 3.4Å; E677-K680 WeakPolarHBondContact OE2-CE 3.28Å; E677-K680 IonicContact OE2-NZ 2.62Å; E677-K680 PolarHBondContact OE2-NZ 3.42Å; K680-V682 PolarHBondContact O-N 3.19Å; K680-P690 VanDerWaalsContact O-CG 3.31Å; K680-P690 WeakPolarHBondContact O-CG 3.5Å; K680-V695 HydrophobicContact CB-CG2 4.35Å
681A72.1Confident74.4Confident5 Ų575.1 Ų75.14%0.04145%0.445CS..THydrogen-bonded Turntrans-73.5-11.1174.400000113.1H630 F633 C678 R679 M692 V695H630-A681 HydrophobicContact CB-CB 4.38Å; F633-A681 HydrophobicContact CD2-CB 3.8Å; F633-A681 HydrophobicContact CE2-CB 4.47Å; C678-A681 WeakPolarHBondContact O-CB 3.39Å; C678-A681 PolarHBondContact O-N 2.98Å; R679-A681 PolarHBondContact O-N 2.79Å; A681-M692 HydrophobicContact CB-CE 4.5Å; A681-M692 HydrophobicContact CB-SD 4.02Å; A681-V695 HydrophobicContact CB-CG1 4.09Å
682V69.6Low73.7Confident81 Ų8177.7 Ų77.749%0.49146%0.457SS..SBendtrans-89125.3174.1-1750000109.3V634 R679 K680 L684V634-V682 HydrophobicContact CG2-CG2 3.91Å; R679-V682 PolarHBondContact O-N 2.75Å; K680-V682 PolarHBondContact O-N 3.19Å; V682-L684 PolarHBondContact O-N 3.25Å
683P60.3Low73Confident108 Ų10883 Ų8370%0.70148%0.477SS*.PPolyproline II helixtrans-60.8132.3174.5-23.434.3000112.2
684L56.8Low72.7Confident149 Ų14982.1 Ų82.178%0.7848%0.479SS*.PPolyproline II helixtrans-102.1131.7163.6-79.4163.5000108.2V682 G686V682-L684 PolarHBondContact O-N 3.25Å; L684-G686 PolarHBondContact O-N 3.16Å
685D49Very low72.3Confident175 Ų17582.5 Ų82.594%0.93648%0.481SS*.THydrogen-bonded Turntrans-58.2127.7-175.8-74.8-51.3000112.6
686G55.8Low72Confident90 Ų9081.6 Ų81.693%0.92848%0.478SS*.THydrogen-bonded Turntrans96.55.4162.700000117.9L684L684-G686 PolarHBondContact O-N 3.16Å
687S49.8Very low72Confident86 Ų8683.1 Ų83.160%0.60148%0.482SS*.SBendtrans-113.3160.8171.671.70000113G689S687-G689 PolarHBondContact O-N 2.86Å; S687-G689 VanDerWaalsContact O-N 3.12Å
688S54.9Low72.1Confident118 Ų11885.4 Ų85.483%0.82549%0.493SS*.  trans-61.1113.116952.40000109
689G58.3Low72.2Confident62 Ų6285.4 Ų85.464%0.63949%0.493SS*.  trans-55145.8-173.400000112.9S687S687-G689 PolarHBondContact O-N 2.86Å; S687-G689 VanDerWaalsContact O-N 3.12Å
690P64.8Low72.5Confident64 Ų6482 Ų8242%0.41649%0.485SS..  trans-63.2149.6178.327.3-33.1000110.6K680 M692 V695K680-P690 VanDerWaalsContact O-CG 3.31Å; K680-P690 WeakPolarHBondContact O-CG 3.5Å; P690-M692 PolarHBondContact O-N 3.2Å; P690-V695 HydrophobicContact CB-CG2 4.05Å; P690-V695 HydrophobicContact CG-CG2 4.48Å
691D77.3Confident73Confident96 Ų9681.9 Ų81.951%0.51349%0.486SS..  trans-59.5105170.5175.3-3.9000109.2Q693 L694 V695D691-Q693 PolarHBondContact O-N 2.85Å; D691-Q693 WeakPolarHBondContact OD1-CA 3.44Å; D691-Q693 VanDerWaalsContact OD1-CB 3.3Å; D691-Q693 WeakPolarHBondContact OD1-CB 3.41Å; D691-Q693 PolarHBondContact OD1-N 3.05Å; D691-L694 HydrophobicContact CB-CB 3.88Å; D691-L694 PolarHBondContact O-N 3.4Å; D691-L694 PolarHBondContact OD1-N 3.22Å; D691-L694 VanDerWaalsContact OD1-N 3.11Å; D691-L694 WeakPolarHBondContact OD2-CB 3.28Å; D691-V695 WeakPolarHBondContact O-CG2 3.47Å; D691-V695 PolarHBondContact O-N 2.68Å
692M78.1Confident73.9Confident55 Ų5581.7 Ų81.727%0.27148%0.484SS..Hα-helixtrans-69.9-23.1-175.4-162.860.56900112.2H630 A681 P690 V695 T696H630-M692 HydrophobicContact CB-SD 4.31Å; H630-M692 WeakPolarHBondContact CE1-CG 3.38Å; H630-M692 WeakPolarHBondContact NE2-CG 3.17Å; A681-M692 HydrophobicContact CB-CE 4.5Å; A681-M692 HydrophobicContact CB-SD 4.02Å; P690-M692 PolarHBondContact O-N 3.2Å; M692-V695 HydrophobicContact SD-CB 4.38Å; M692-V695 HydrophobicContact SD-CG1 4.38Å; M692-T696 WeakPolarHBondContact O-CB 3.48Å; M692-T696 PolarHBondContact O-N 3.5Å; M692-T696 PolarHBondContact O-OG1 2.94Å
693Q78.6Confident75Confident161 Ų16177.9 Ų77.975%0.75246%0.461SS*.Hα-helixtrans-71.3-44.7173-173.1174.7-16.500109.9D691 T696 Q697D691-Q693 PolarHBondContact O-N 2.85Å; D691-Q693 WeakPolarHBondContact OD1-CA 3.44Å; D691-Q693 VanDerWaalsContact OD1-CB 3.3Å; D691-Q693 WeakPolarHBondContact OD1-CB 3.41Å; D691-Q693 PolarHBondContact OD1-N 3.05Å; Q693-T696 PolarHBondContact O-N 2.9Å; Q693-Q697 WeakPolarHBondContact O-CB 3.25Å; Q693-Q697 PolarHBondContact O-N 2.67Å
694L84.3Confident76.5Confident78 Ų7879.9 Ų79.941%0.40846%0.456SS..Hα-helixtrans-63.7-44.6173.5-178.563.3000112.4D691 T696 Q697 Q698D691-L694 HydrophobicContact CB-CB 3.88Å; D691-L694 PolarHBondContact O-N 3.4Å; D691-L694 PolarHBondContact OD1-N 3.22Å; D691-L694 VanDerWaalsContact OD1-N 3.11Å; D691-L694 WeakPolarHBondContact OD2-CB 3.28Å; L694-T696 VanDerWaalsContact C-N 3.33Å; L694-T696 PolarHBondContact O-N 3.44Å; L694-Q697 PolarHBondContact O-N 2.94Å; L694-Q698 HydrophobicContact CD1-CG 4.45Å; L694-Q698 VanDerWaalsContact O-CG 3.32Å; L694-Q698 WeakPolarHBondContact O-CG 3.49Å; L694-Q698 PolarHBondContact O-N 3.28Å
695V84.7Confident78.1Confident7 Ų774.2 Ų74.24%0.04243%0.426CS..Hα-helixtrans-59.7-44.8175171.20000110.5K680 A681 P690 D691 M692 Q697 Q698 V699K680-V695 HydrophobicContact CB-CG2 4.35Å; A681-V695 HydrophobicContact CB-CG1 4.09Å; P690-V695 HydrophobicContact CB-CG2 4.05Å; P690-V695 HydrophobicContact CG-CG2 4.48Å; D691-V695 WeakPolarHBondContact O-CG2 3.47Å; D691-V695 PolarHBondContact O-N 2.68Å; M692-V695 HydrophobicContact SD-CB 4.38Å; M692-V695 HydrophobicContact SD-CG1 4.38Å; V695-Q697 PolarHBondContact O-N 3.38Å; V695-Q698 PolarHBondContact O-N 3.14Å; V695-V699 HydrophobicContact CG1-CG2 4.37Å; V695-V699 WeakPolarHBondContact O-CB 3.25Å; V695-V699 VanDerWaalsContact O-CG2 3.29Å; V695-V699 WeakPolarHBondContact O-CG2 3.48Å; V695-V699 PolarHBondContact O-N 2.9Å
696T86.3Confident80.2Confident16 Ų1665.9 Ų65.910%0.09838%0.382CS..Hα-helixtrans-63.2-41177.8-60.30000111.8A625 H630 F633 M692 Q693 L694 V699 I700A625-T696 HydrophobicContact CB-CG2 3.86Å; H630-T696 PolarHBondContact CE1-OG1 2.71Å; F633-T696 HydrophobicContact CZ-CG2 4.2Å; M692-T696 WeakPolarHBondContact O-CB 3.48Å; M692-T696 PolarHBondContact O-N 3.5Å; M692-T696 PolarHBondContact O-OG1 2.94Å; Q693-T696 PolarHBondContact O-N 2.9Å; L694-T696 VanDerWaalsContact C-N 3.33Å; L694-T696 PolarHBondContact O-N 3.44Å; T696-V699 PolarHBondContact O-N 3.43Å; T696-I700 HydrophobicContact CG2-CD1 4Å; T696-I700 WeakPolarHBondContact O-CD1 3.38Å; T696-I700 VanDerWaalsContact O-CG1 3.25Å; T696-I700 WeakPolarHBondContact O-CG1 3.31Å; T696-I700 PolarHBondContact O-N 3.38Å
697Q88.9Confident81.9Confident130 Ų13063 Ų6361%0.60735%0.349SS*.Hα-helixtrans-62.6-42.6174.1-168.9-179.121.700112.2Q693 L694 V695 I700 Q701Q693-Q697 WeakPolarHBondContact O-CB 3.25Å; Q693-Q697 PolarHBondContact O-N 2.67Å; L694-Q697 PolarHBondContact O-N 2.94Å; V695-Q697 PolarHBondContact O-N 3.38Å; Q697-I700 PolarHBondContact O-N 2.84Å; Q697-Q701 PolarHBondContact O-N 2.96Å
698Q89.4Confident83.9Confident70 Ų7064 Ų6433%0.32734%0.343SS..Hα-helixtrans-66.3-39.6177.6-71.3175.15.900112E677 L694 V695 Q701 C702E677-Q698 HydrophobicContact CG-CB 4.32Å; E677-Q698 PolarHBondContact OE2-OE1 3.44Å; E677-Q698 VanDerWaalsContact OE2-OE1 3.12Å; L694-Q698 HydrophobicContact CD1-CG 4.45Å; L694-Q698 VanDerWaalsContact O-CG 3.32Å; L694-Q698 WeakPolarHBondContact O-CG 3.49Å; L694-Q698 PolarHBondContact O-N 3.28Å; V695-Q698 PolarHBondContact O-N 3.14Å; Q698-Q701 PolarHBondContact O-N 2.94Å; Q698-C702 PolarHBondContact O-N 3.09Å; Q698-C702 PolarHBondContact O-SG 3.28Å
699V90.9Very high85.6Confident1 Ų158.4 Ų58.41%0.00630%0.303CS..Hα-helixtrans-60.7-46.1172.71650000111.3L621 F633 L674 E677 V695 T696 C702 A703L621-V699 HydrophobicContact CD1-CG1 3.84Å; L621-V699 HydrophobicContact CD2-CG1 3.91Å; L621-V699 HydrophobicContact CG-CG1 4.06Å; F633-V699 HydrophobicContact CD2-CG1 4.28Å; F633-V699 HydrophobicContact CD2-CG2 4.11Å; F633-V699 HydrophobicContact CE2-CB 4.46Å; F633-V699 HydrophobicContact CE2-CG1 4.29Å; F633-V699 HydrophobicContact CE2-CG2 4.29Å; L674-V699 HydrophobicContact CD1-CB 4.43Å; L674-V699 HydrophobicContact CD1-CG1 3.96Å; E677-V699 HydrophobicContact CB-CG2 3.89Å; V695-V699 HydrophobicContact CG1-CG2 4.37Å; V695-V699 WeakPolarHBondContact O-CB 3.25Å; V695-V699 VanDerWaalsContact O-CG2 3.29Å; V695-V699 WeakPolarHBondContact O-CG2 3.48Å; V695-V699 PolarHBondContact O-N 2.9Å; T696-V699 PolarHBondContact O-N 3.43Å; V699-C702 PolarHBondContact O-N 2.97Å; V699-A703 PolarHBondContact O-N 3.46Å
700I90.9Very high87.1Confident74 Ų7455.4 Ų55.438%0.37927%0.273SS..Hα-helixtrans-61.2-44.6175.7-68.9164.5000111.1L622 A625 T696 Q697 C702 A703 Y704L622-I700 HydrophobicContact CD2-CB 4.33Å; L622-I700 HydrophobicContact CD2-CG1 3.88Å; L622-I700 HydrophobicContact CD2-CG2 4.11Å; A625-I700 HydrophobicContact CB-CD1 4.31Å; A625-I700 HydrophobicContact CB-CG1 4.31Å; T696-I700 HydrophobicContact CG2-CD1 4Å; T696-I700 WeakPolarHBondContact O-CD1 3.38Å; T696-I700 VanDerWaalsContact O-CG1 3.25Å; T696-I700 WeakPolarHBondContact O-CG1 3.31Å; T696-I700 PolarHBondContact O-N 3.38Å; Q697-I700 PolarHBondContact O-N 2.84Å; I700-C702 PolarHBondContact O-N 3.21Å; I700-A703 PolarHBondContact O-N 3.25Å; I700-Y704 PolarHBondContact O-N 3.29Å
701Q91.6Very high88.3Confident94 Ų9459.6 Ų59.644%0.43928%0.284SS..Hα-helixtrans-63.7-41.4178-174.560.951.700112.2Q697 Q698 A703 Y704 D705Q697-Q701 PolarHBondContact O-N 2.96Å; Q698-Q701 PolarHBondContact O-N 2.94Å; Q701-A703 VanDerWaalsContact C-N 3.32Å; Q701-A703 PolarHBondContact O-N 3.02Å; Q701-Y704 PolarHBondContact O-N 3.32Å; Q701-D705 PolarHBondContact NE2-OD1 3.25Å; Q701-D705 VanDerWaalsContact O-CG 3.27Å; Q701-D705 PolarHBondContact O-N 2.88Å
702C92Very high88.9Confident1 Ų158.7 Ų58.71%0.00728%0.277CS..Hα-helixtrans-61.5-41.6174.8-61.40000111.7R673 L674 Q698 V699 I700 D705 I706R673-C702 PolarHBondContact NE-SG 3.4Å; R673-C702 PolarHBondContact NH2-SG 2.92Å; L674-C702 HydrophobicContact CB-CB 3.81Å; L674-C702 HydrophobicContact CD1-CB 3.91Å; L674-C702 HydrophobicContact CG-CB 4.42Å; Q698-C702 PolarHBondContact O-N 3.09Å; Q698-C702 PolarHBondContact O-SG 3.28Å; V699-C702 PolarHBondContact O-N 2.97Å; I700-C702 PolarHBondContact O-N 3.21Å; C702-D705 PolarHBondContact O-N 3.36Å; C702-I706 WeakPolarHBondContact O-CD1 3.32Å; C702-I706 VanDerWaalsContact O-CG1 3.24Å; C702-I706 WeakPolarHBondContact O-CG1 3.43Å; C702-I706 PolarHBondContact O-N 3.12Å; C702-I706 VanDerWaalsContact O-N 3.08Å
703A91.8Very high89.3Confident1 Ų156 Ų561%0.00826%0.264CS..Hα-helixtrans-63.2-40.117600000112.4I618 L621 V699 I700 Q701 I706 A707I618-A703 HydrophobicContact CG1-CB 4.36Å; I618-A703 HydrophobicContact CG2-CB 4.04Å; L621-A703 HydrophobicContact CD2-CB 4.13Å; V699-A703 PolarHBondContact O-N 3.46Å; I700-A703 PolarHBondContact O-N 3.25Å; Q701-A703 VanDerWaalsContact C-N 3.32Å; Q701-A703 PolarHBondContact O-N 3.02Å; A703-I706 PolarHBondContact O-N 3.39Å; A703-A707 PolarHBondContact O-N 2.73Å
704Y92.2Very high89.8Confident149 Ų14949.6 Ų49.658%0.58424%0.236SC*.Hα-helixtrans-64.5-43.6174.5-175.9-101.7000112.6I700 Q701 I706 A707 K708I700-Y704 PolarHBondContact O-N 3.29Å; Q701-Y704 PolarHBondContact O-N 3.32Å; Y704-I706 VanDerWaalsContact C-N 3.32Å; Y704-I706 PolarHBondContact O-N 3.06Å; Y704-A707 PolarHBondContact O-N 2.91Å; Y704-K708 WeakPolarHBondContact O-CB 3.29Å; Y704-K708 PolarHBondContact O-N 2.8Å
705D91.6Very high89.9Confident31 Ų3148.9 Ų48.917%0.16623%0.234CC..Hα-helixtrans-61.7-39.2177.9-68.2-11.7000111.8R673 Q701 C702 A709R673-D705 IonicContact CZ-OD2 2.67Å; R673-D705 IonicContact NH1-OD2 2.71Å; R673-D705 PolarHBondContact NH1-OD2 2.91Å; R673-D705 IonicContact NH2-OD2 3.68Å; R673-D705 PolarHBondContact NH2-OD2 3.34Å; Q701-D705 PolarHBondContact NE2-OD1 3.25Å; Q701-D705 VanDerWaalsContact O-CG 3.27Å; Q701-D705 PolarHBondContact O-N 2.88Å; C702-D705 PolarHBondContact O-N 3.36Å; D705-A709 WeakPolarHBondContact O-CB 3.24Å; D705-A709 PolarHBondContact O-N 3.42Å
706I92.3Very high89.9Confident0 Ų049.9 Ų49.90%024%0.239CC..Hα-helixtrans-64.6-48.6174.4-65164000110.5I614 I618 I640 V644 L667 A671 L674 C702 A703 Y704 K708 A709 A710I614-I706 HydrophobicContact CG2-CG2 3.64Å; I618-I706 HydrophobicContact CD1-CB 4.17Å; I618-I706 HydrophobicContact CD1-CG2 3.89Å; I640-I706 HydrophobicContact CG2-CD1 3.86Å; I640-I706 HydrophobicContact CG2-CG2 4.43Å; V644-I706 HydrophobicContact CG2-CG2 3.99Å; L667-I706 HydrophobicContact CD1-CG2 3.75Å; L667-I706 WeakPolarHBondContact CD1-O 3.45Å; A671-I706 HydrophobicContact CB-CD1 4.24Å; L674-I706 HydrophobicContact CB-CD1 4.19Å; L674-I706 HydrophobicContact CD2-CD1 3.72Å; C702-I706 WeakPolarHBondContact O-CD1 3.32Å; C702-I706 VanDerWaalsContact O-CG1 3.24Å; C702-I706 WeakPolarHBondContact O-CG1 3.43Å; C702-I706 PolarHBondContact O-N 3.12Å; C702-I706 VanDerWaalsContact O-N 3.08Å; A703-I706 PolarHBondContact O-N 3.39Å; Y704-I706 VanDerWaalsContact C-N 3.32Å; Y704-I706 PolarHBondContact O-N 3.06Å; I706-K708 VanDerWaalsContact C-N 3.31Å; I706-K708 PolarHBondContact O-N 2.74Å; I706-A709 PolarHBondContact O-N 2.62Å; I706-A710 PolarHBondContact O-N 3.16Å
707A91.6Very high89.6Confident29 Ų2949.1 Ų49.124%0.2424%0.235CC..Hα-helixtrans-60.9-39.3178.600000112.3I618 A703 Y704 K711I618-A707 HydrophobicContact CD1-CB 4.14Å; A703-A707 PolarHBondContact O-N 2.73Å; Y704-A707 PolarHBondContact O-N 2.91Å; A707-K711 WeakPolarHBondContact O-CB 3.21Å; A707-K711 PolarHBondContact O-N 3.01Å
708K91.3Very high89.1Confident107 Ų10745.4 Ų45.447%0.46522%0.221SC..Hα-helixtrans-62.8-46.5174.6-175179.3179.8-178.30111.6Y704 I706 K711 Q712Y704-K708 WeakPolarHBondContact O-CB 3.29Å; Y704-K708 PolarHBondContact O-N 2.8Å; I706-K708 VanDerWaalsContact C-N 3.31Å; I706-K708 PolarHBondContact O-N 2.74Å; K708-K711 PolarHBondContact O-N 3.24Å; K708-Q712 WeakPolarHBondContact O-CG 3.38Å; K708-Q712 PolarHBondContact O-N 2.99Å
709A90.5Very high88.5Confident0 Ų048.6 Ų48.60%023%0.234CC..Hα-helixtrans-65.2-41.5178.700000112.6L666 L667 D705 I706 Q712 L713L666-A709 HydrophobicContact CB-CB 4.3Å; L666-A709 HydrophobicContact CD2-CB 4.05Å; L666-A709 HydrophobicContact CG-CB 4.03Å; L667-A709 HydrophobicContact CB-CB 3.92Å; L667-A709 HydrophobicContact CD1-CB 3.92Å; D705-A709 WeakPolarHBondContact O-CB 3.24Å; D705-A709 PolarHBondContact O-N 3.42Å; I706-A709 PolarHBondContact O-N 2.62Å; A709-Q712 WeakPolarHBondContact O-CB 3.46Å; A709-Q712 PolarHBondContact O-N 2.91Å; A709-L713 PolarHBondContact O-N 3.31Å
710A90.4Very high87.4Confident0 Ų051.8 Ų51.80%025%0.249CC..Hα-helixtrans-65.3-43.3176.700000111.8T611 M647 L667 I706 Q712 L713 V714T611-A710 HydrophobicContact CG2-CB 3.81Å; M647-A710 HydrophobicContact CE-CB 4.29Å; M647-A710 HydrophobicContact SD-CB 4.19Å; L667-A710 HydrophobicContact CD1-CB 3.93Å; I706-A710 PolarHBondContact O-N 3.16Å; A710-Q712 VanDerWaalsContact C-N 3.29Å; A710-Q712 PolarHBondContact O-N 3.17Å; A710-L713 PolarHBondContact O-N 3.1Å; A710-L713 VanDerWaalsContact O-N 3.16Å; A710-V714 PolarHBondContact O-N 3.44Å
711K90.5Very high86Confident151 Ų15151.8 Ų51.866%0.65725%0.25SC*.Hα-helixtrans-60.6-36.7173.1-176.7177.9177.4-1780112.5A707 K708 T715A707-K711 WeakPolarHBondContact O-CB 3.21Å; A707-K711 PolarHBondContact O-N 3.01Å; K708-K711 PolarHBondContact O-N 3.24Å; K711-T715 WeakPolarHBondContact O-CB 3.37Å; K711-T715 PolarHBondContact O-N 3.44Å; K711-T715 PolarHBondContact O-OG1 3.34Å
712Q88.5Confident84.1Confident77 Ų7752.6 Ų52.636%0.3626%0.261SS..Hα-helixtrans-64-44.3173.5-76.9176.2-30.200111.6S663 K708 A709 A710 V714 T715 I716S663-Q712 PolarHBondContact OG-OE1 3.03Å; K708-Q712 WeakPolarHBondContact O-CG 3.38Å; K708-Q712 PolarHBondContact O-N 2.99Å; A709-Q712 WeakPolarHBondContact O-CB 3.46Å; A709-Q712 PolarHBondContact O-N 2.91Å; A710-Q712 VanDerWaalsContact C-N 3.29Å; A710-Q712 PolarHBondContact O-N 3.17Å; Q712-V714 PolarHBondContact O-N 3.24Å; Q712-T715 CarbonylContact O-C 3.58Å; Q712-T715 PolarHBondContact O-N 3.24Å; Q712-T715 VanDerWaalsContact O-N 3.09Å; Q712-I716 VanDerWaalsContact O-CG1 3.29Å; Q712-I716 WeakPolarHBondContact O-CG1 3.47Å; Q712-I716 PolarHBondContact O-N 2.69Å
713L87.9Confident81.8Confident0 Ų062.2 Ų62.20%031%0.312CS..Hα-helixtrans-59.2-46.6176.2-69.9168.4000111.9V607 M647 F651 V660 L664 L667 A709 A710 T715 I716 T717V607-L713 HydrophobicContact CG1-CB 4.29Å; M647-L713 HydrophobicContact CE-CB 3.78Å; M647-L713 HydrophobicContact CE-CD1 3.71Å; M647-L713 HydrophobicContact CE-CG 4.39Å; M647-L713 HydrophobicContact SD-CD1 4.2Å; F651-L713 HydrophobicContact CZ-CD2 4.21Å; V660-L713 HydrophobicContact CG1-CD2 4.11Å; L664-L713 HydrophobicContact CD2-CD1 3.79Å; L664-L713 HydrophobicContact CD2-CD2 4.37Å; L664-L713 HydrophobicContact CG-CD1 4.24Å; L664-L713 HydrophobicContact CG-CD2 4.02Å; L667-L713 HydrophobicContact CD2-CD1 4.05Å; A709-L713 PolarHBondContact O-N 3.31Å; A710-L713 PolarHBondContact O-N 3.1Å; A710-L713 VanDerWaalsContact O-N 3.16Å; L713-T715 VanDerWaalsContact C-N 3.3Å; L713-T715 PolarHBondContact O-N 3.18Å; L713-I716 PolarHBondContact O-N 3.45Å; L713-T717 PolarHBondContact O-N 2.95Å; L713-T717 PolarHBondContact O-OG1 3.4Å
714V87.6Confident81.3Confident26 Ų2665.3 Ų65.316%0.15833%0.328CS..Hα-helixtrans-57.6-42.2172.91740000111.6V607 I608 T611 A710 Q712 I716 T717 T718V607-V714 HydrophobicContact CG1-CG2 4.03Å; I608-V714 HydrophobicContact CD1-CG1 4.38Å; I608-V714 HydrophobicContact CG1-CG1 3.73Å; I608-V714 HydrophobicContact CG1-CG2 4.13Å; T611-V714 HydrophobicContact CG2-CG2 4.06Å; T611-V714 VanDerWaalsContact OG1-CG2 3.25Å; T611-V714 WeakPolarHBondContact OG1-CG2 3.32Å; A710-V714 PolarHBondContact O-N 3.44Å; Q712-V714 PolarHBondContact O-N 3.24Å; V714-I716 VanDerWaalsContact C-N 3.32Å; V714-I716 PolarHBondContact O-N 2.98Å; V714-T717 PolarHBondContact O-OG1 3.18Å; V714-T718 HydrophobicContact CG1-CG2 4.3Å; V714-T718 WeakPolarHBondContact O-CB 3.36Å; V714-T718 VanDerWaalsContact O-CG2 3.29Å; V714-T718 WeakPolarHBondContact O-CG2 3.4Å; V714-T718 PolarHBondContact O-N 3.4Å; V714-T718 PolarHBondContact O-OG1 3.11Å
715T86.4Confident80.8Confident62 Ų6260.9 Ų60.938%0.3831%0.314SS..Hα-helixtrans-68.8-29.4-179.3-52.90000112.8K711 Q712 L713 T718 K719K711-T715 WeakPolarHBondContact O-CB 3.37Å; K711-T715 PolarHBondContact O-N 3.44Å; K711-T715 PolarHBondContact O-OG1 3.34Å; Q712-T715 CarbonylContact O-C 3.58Å; Q712-T715 PolarHBondContact O-N 3.24Å; Q712-T715 VanDerWaalsContact O-N 3.09Å; L713-T715 VanDerWaalsContact C-N 3.3Å; L713-T715 PolarHBondContact O-N 3.18Å; T715-T718 WeakPolarHBondContact CA-OG1 3.22Å; T715-T718 PolarHBondContact O-OG1 3.23Å; T715-T718 VanDerWaalsContact O-OG1 3.12Å; T715-K719 WeakPolarHBondContact O-CG 3.45Å
716I84.4Confident80.2Confident28 Ų2862.6 Ų62.614%0.14432%0.322CS..Hα-helixtrans-79-49176.2-63.6159.2000109.4V660 Q712 L713 V714 T718 K719 E720V660-I716 HydrophobicContact CG2-CB 4.42Å; V660-I716 HydrophobicContact CG2-CG2 3.54Å; Q712-I716 VanDerWaalsContact O-CG1 3.29Å; Q712-I716 WeakPolarHBondContact O-CG1 3.47Å; Q712-I716 PolarHBondContact O-N 2.69Å; L713-I716 PolarHBondContact O-N 3.45Å; V714-I716 VanDerWaalsContact C-N 3.32Å; V714-I716 PolarHBondContact O-N 2.98Å; I716-T718 VanDerWaalsContact C-N 3.33Å; I716-T718 PolarHBondContact O-N 2.89Å; I716-K719 PolarHBondContact O-N 3.2Å; I716-E720 HydrophobicContact CG2-CG 3.95Å; I716-E720 WeakPolarHBondContact CG2-OE1 3.44Å; I716-E720 WeakPolarHBondContact CG2-OE2 3.35Å; I716-E720 PolarHBondContact O-N 3.22Å
717T80.9Confident79.5Confident0 Ų066.2 Ų66.20%034%0.341CS..Hα-helixtrans-71-22.8-178.856.40000113.9T604 V607 F651 L713 V714 N721T604-T717 PolarHBondContact OG1-O 3.46Å; T604-T717 VanDerWaalsContact OG1-O 3.14Å; V607-T717 HydrophobicContact CG2-CG2 4.3Å; F651-T717 HydrophobicContact CE1-CG2 4Å; F651-T717 HydrophobicContact CZ-CG2 4.19Å; L713-T717 PolarHBondContact O-N 2.95Å; L713-T717 PolarHBondContact O-OG1 3.4Å; V714-T717 PolarHBondContact O-OG1 3.18Å; T717-N721 WeakPolarHBondContact O-CB 3.45Å; T717-N721 PolarHBondContact O-N 3.37Å; T717-N721 PolarHBondContact O-ND2 3.29Å
718T79.4Confident78.7Confident53 Ų5368.6 Ų68.633%0.32535%0.348SS..Hα-helixtrans-66.4-43166.1480000111.4T604 V714 T715 I716 T722T604-T718 HydrophobicContact CG2-CG2 3.45Å; T604-T718 VanDerWaalsContact CG2-CG2 3.45Å; V714-T718 HydrophobicContact CG1-CG2 4.3Å; V714-T718 WeakPolarHBondContact O-CB 3.36Å; V714-T718 VanDerWaalsContact O-CG2 3.29Å; V714-T718 WeakPolarHBondContact O-CG2 3.4Å; V714-T718 PolarHBondContact O-N 3.4Å; V714-T718 PolarHBondContact O-OG1 3.11Å; T715-T718 WeakPolarHBondContact CA-OG1 3.22Å; T715-T718 PolarHBondContact O-OG1 3.23Å; T715-T718 VanDerWaalsContact O-OG1 3.12Å; I716-T718 VanDerWaalsContact C-N 3.33Å; I716-T718 PolarHBondContact O-N 2.89Å; T718-T722 VanDerWaalsContact O-CG2 3.29Å; T718-T722 WeakPolarHBondContact O-CG2 3.3Å; T718-T722 PolarHBondContact O-N 3.43Å; T718-T722 PolarHBondContact O-OG1 3.33Å; T718-T722 VanDerWaalsContact O-OG1 3.07Å
719K76.3Confident77.9Confident137 Ų13766 Ų6660%0.59634%0.34SS*.Hα-helixtrans-73.4-47.5-178.6-72-178.6175.3-167.50113.2T715 I716 N721 T722T715-K719 WeakPolarHBondContact O-CG 3.45Å; I716-K719 PolarHBondContact O-N 3.2Å; K719-N721 PolarHBondContact O-N 2.9Å; K719-T722 PolarHBondContact O-N 2.92Å; K719-T722 VanDerWaalsContact O-N 3.12Å; K719-T722 PolarHBondContact O-OG1 3.12Å; K719-T722 VanDerWaalsContact O-OG1 3.07Å
720E68.4Low77Confident67 Ų6770.7 Ų70.731%0.31336%0.364SS..Hα-helixtrans-66.9-14.3-178.8-69.5-179.7165.300112.7L601 S657 I716L601-E720 HydrophobicContact CD1-CB 3.76Å; L601-E720 VanDerWaalsContact CD1-OE2 3.26Å; L601-E720 WeakPolarHBondContact CD1-OE2 3.41Å; S657-E720 WeakPolarHBondContact CB-OE1 3.31Å; S657-E720 PolarHBondContact OG-OE1 3.36Å; I716-E720 HydrophobicContact CG2-CG 3.95Å; I716-E720 WeakPolarHBondContact CG2-OE1 3.44Å; I716-E720 WeakPolarHBondContact CG2-OE2 3.35Å; I716-E720 PolarHBondContact O-N 3.22Å
721N60.1Low75.9Confident75 Ų7576.2 Ų76.240%0.40139%0.392SS..THydrogen-bonded Turntrans-106.86.9173.5-68.9-26.5000114.1T604 T717 K719T604-N721 PolarHBondContact OG1-ND2 3.08Å; T717-N721 WeakPolarHBondContact O-CB 3.45Å; T717-N721 PolarHBondContact O-N 3.37Å; T717-N721 PolarHBondContact O-ND2 3.29Å; K719-N721 PolarHBondContact O-N 2.9Å
722T52.6Low74.7Confident110 Ų11069.9 Ų69.968%0.67537%0.37SS*.THydrogen-bonded Turntrans-112.8-1.5175500000114.4T718 K719T718-T722 VanDerWaalsContact O-CG2 3.29Å; T718-T722 WeakPolarHBondContact O-CG2 3.3Å; T718-T722 PolarHBondContact O-N 3.43Å; T718-T722 PolarHBondContact O-OG1 3.33Å; T718-T722 VanDerWaalsContact O-OG1 3.07Å; K719-T722 PolarHBondContact O-N 2.92Å; K719-T722 VanDerWaalsContact O-N 3.12Å; K719-T722 PolarHBondContact O-OG1 3.12Å; K719-T722 VanDerWaalsContact O-OG1 3.07Å
723N44.1Very low73.5Confident204 Ų20469.3 Ų69.3100%1.09137%0.371SS*.  trans-107.50172.8-70.7-1.5000109.8

Retrieved 723 of 723 residues in 118.4 ms (Link to these results)

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