A0A096MQH4_PAPAN Loading...

GIT ArfGAP 2

AlphaFold DB , UniProt , Accession A0A096MQH4, Species PAPAN (Papio anubis, Olive baboon), Gene GIT2, Length 759 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
1M31.6Very low63.2Low242 Ų242116.5 Ų116.5100%1.19256%0.563SS**  01270-65.6173178.300107.8
2S34.1Very low66Low124 Ų124106.9 Ų106.987%0.86752%0.516SS*.PPolyproline II helixtrans-76.3127.3174.1-168.40000109.3R4S2-R4 PolarHBondContact O-N 2.61Å
3K38.8Very low68.4Low189 Ų18998.8 Ų98.882%0.82248%0.477SS*.PPolyproline II helixtrans-69.9119.3167.8-67.5-179.5-179.7178.50106.7L5K3-L5 PolarHBondContact O-N 3.36Å
4R47.7Very low70.3Confident247 Ų24791.8 Ų91.893%0.93244%0.443SS*.PPolyproline II helixtrans-59.1121.2159.7-79.7-174174.6-178.4-1.9106.4S2S2-R4 PolarHBondContact O-N 2.61Å
5L52.5Low72Confident115 Ų11589.5 Ų89.560%0.60244%0.441SS*.PPolyproline II helixtrans-56.4146.9169.3-65.7171.4000108.6K3 E9 V10K3-L5 PolarHBondContact O-N 3.36Å; L5-E9 VanDerWaalsContact CA-OE2 3.3Å; L5-E9 WeakPolarHBondContact CA-OE2 3.25Å; L5-E9 HydrophobicContact CB-CB 4.32Å; L5-E9 WeakPolarHBondContact CB-OE2 3.37Å; L5-E9 WeakPolarHBondContact CD2-OE2 3.4Å; L5-V10 HydrophobicContact CB-CG1 4.44Å; L5-V10 HydrophobicContact CD1-CG1 3.81Å
6R64.3Low73.4Confident178 Ų17884.3 Ų84.367%0.67242%0.417SS*.PPolyproline II helixtrans-66.2148.8172.1-66.2177.7166.5-168.5-4.1108.5S8 E9R6-S8 PolarHBondContact O-N 3.33Å; R6-S8 VanDerWaalsContact O-N 3.15Å; R6-E9 HydrophobicContact CB-CG 4.14Å; R6-E9 PolarHBondContact N-OE2 3.33Å; R6-E9 WeakPolarHBondContact O-CB 3.43Å; R6-E9 PolarHBondContact O-N 2.74Å
7S71.7Confident74.6Confident43 Ų4384.5 Ų84.530%0.30143%0.426SS..G310 helixtrans-50.4-45.4-179.8-51.50000111.4E9 V10 Y68S7-E9 PolarHBondContact O-N 3.36Å; S7-V10 WeakPolarHBondContact O-CG2 3.49Å; S7-V10 PolarHBondContact O-N 3.45Å; S7-V10 VanDerWaalsContact O-N 3.14Å; S7-V10 VanDerWaalsContact O-O 3.09Å; S7-Y68 WeakPolarHBondContact CB-O 3.25Å; S7-Y68 WeakPolarHBondContact O-CE1 2.93Å; S7-Y68 PolarHBondContact O-OH 3.15Å; S7-Y68 PolarHBondContact OG-O 2.91Å
8S77.1Confident75.5Confident36 Ų3687.4 Ų87.425%0.25244%0.443SS..G310 helixtrans-55.5-20.2177.757.70000116.3R6 N69R6-S8 PolarHBondContact O-N 3.33Å; R6-S8 VanDerWaalsContact O-N 3.15Å; S8-N69 PolarHBondContact N-OD1 2.89Å; S8-N69 PolarHBondContact OG-OD1 2.98Å
9E86.8Confident76.5Confident77 Ų7783.6 Ų83.636%0.3643%0.425SS..G310 helixtrans-87.1-5.9-177-63.2164.117500112.4L5 R6 S7 D18L5-E9 VanDerWaalsContact CA-OE2 3.3Å; L5-E9 WeakPolarHBondContact CA-OE2 3.25Å; L5-E9 HydrophobicContact CB-CB 4.32Å; L5-E9 WeakPolarHBondContact CB-OE2 3.37Å; L5-E9 WeakPolarHBondContact CD2-OE2 3.4Å; R6-E9 HydrophobicContact CB-CG 4.14Å; R6-E9 PolarHBondContact N-OE2 3.33Å; R6-E9 WeakPolarHBondContact O-CB 3.43Å; R6-E9 PolarHBondContact O-N 2.74Å; S7-E9 PolarHBondContact O-N 3.36Å; E9-D18 PolarHBondContact O-N 3.06Å; E9-D18 VanDerWaalsContact O-N 3.1Å
10V94.4Very high77.5Confident30 Ų3080.5 Ų80.518%0.18241%0.411CS..BIsolated β-bridgetrans-135.5152.7-177.9-65.80000113.1L5 S7 G16 Y68L5-V10 HydrophobicContact CB-CG1 4.44Å; L5-V10 HydrophobicContact CD1-CG1 3.81Å; S7-V10 WeakPolarHBondContact O-CG2 3.49Å; S7-V10 PolarHBondContact O-N 3.45Å; S7-V10 VanDerWaalsContact O-N 3.14Å; S7-V10 VanDerWaalsContact O-O 3.09Å; V10-G16 CarbonylContact C-O 3.42Å; V10-G16 WeakPolarHBondContact CA-O 3.33Å; V10-Y68 WeakPolarHBondContact O-CE1 3.23Å; V10-Y68 PolarHBondContact O-OH 3.25Å
11C96.5Very high78.4Confident1 Ų176.7 Ų76.71%0.00739%0.392CS..  trans-68.1129.6172172.20000111.3D13 S15 G16 C31 C34C11-D13 PolarHBondContact O-N 2.95Å; C11-D13 VanDerWaalsContact O-N 3.13Å; C11-S15 VanDerWaalsContact O-CA 3.22Å; C11-S15 WeakPolarHBondContact O-CA 3.23Å; C11-S15 PolarHBondContact O-N 3.49Å; C11-G16 WeakPolarHBondContact CB-O 3.49Å; C11-G16 PolarHBondContact N-O 3.42Å; C11-C31 HydrophobicContact CB-CB 4.09Å; C11-C31 PolarHBondContact SG-N 2.92Å; C11-C31 VanDerWaalsContact SG-N 3.4Å; C11-C31 VanDerWaalsContact SG-SG 3.64Å; C11-C34 VanDerWaalsContact SG-SG 3.62Å
12A96.6Very high81.6Confident1 Ų165.2 Ų65.21%0.00834%0.335CS..THydrogen-bonded Turntrans-61.6-23.1-175.700000114.3T28 F29 I30 Y68 N73 K92 K110A12-T28 HydrophobicContact CB-CG2 3.76Å; A12-F29 VanDerWaalsContact CB-O 3.29Å; A12-F29 WeakPolarHBondContact CB-O 3.3Å; A12-F29 PolarHBondContact N-O 3.5Å; A12-I30 HydrophobicContact CB-CG2 4.36Å; A12-Y68 VanDerWaalsContact CA-OH 3.26Å; A12-Y68 WeakPolarHBondContact CA-OH 3.43Å; A12-Y68 HydrophobicContact CB-CE2 3.67Å; A12-Y68 PolarHBondContact N-OH 3.38Å; A12-N73 PolarHBondContact O-ND2 3.31Å; A12-K92 WeakPolarHBondContact O-CE 3.41Å; A12-K92 PolarHBondContact O-NZ 3.48Å; A12-K110 PolarHBondContact O-NZ 3.19Å
13D97.1Very high84.6Confident1 Ų159.3 Ų59.31%0.00529%0.294CS..THydrogen-bonded Turntrans-107.5-39.6-170.5-51-49.1000113.8C11 I30 C34 H38 K92 F106 I107 K110 Y111C11-D13 PolarHBondContact O-N 2.95Å; C11-D13 VanDerWaalsContact O-N 3.13Å; D13-I30 WeakPolarHBondContact OD2-CG2 3.46Å; D13-C34 HydrophobicContact CB-CB 4.45Å; D13-H38 IonicContact OD2-NE2 2.72Å; D13-H38 PolarHBondContact OD2-NE2 3.22Å; D13-K92 WeakPolarHBondContact O-CE 3.31Å; D13-K92 VanDerWaalsContact O-CG 3.29Å; D13-K92 WeakPolarHBondContact O-CG 3.25Å; D13-F106 HydrophobicContact CB-CD1 4.38Å; D13-F106 HydrophobicContact CB-CE1 4.25Å; D13-F106 VanDerWaalsContact O-CE1 3.28Å; D13-F106 WeakPolarHBondContact O-CE1 3.36Å; D13-I107 HydrophobicContact CB-CD1 4.27Å; D13-I107 HydrophobicContact CB-CG1 3.91Å; D13-K110 WeakPolarHBondContact OD1-CD 3.48Å; D13-K110 WeakPolarHBondContact OD1-CE 3.31Å; D13-K110 IonicContact OD1-NZ 3.19Å; D13-K110 PolarHBondContact OD1-NZ 3.34Å; D13-Y111 WeakPolarHBondContact OD1-CE2 3.49Å; D13-Y111 VanDerWaalsContact OD1-CZ 3.3Å; D13-Y111 PolarHBondContact OD1-OH 3.25Å
14C95.6Very high87.5Confident1 Ų150.7 Ų50.71%0.00726%0.257CS..THydrogen-bonded Turntrans-112.5-2.6-179.973.30000114.4G16 C34 A93 N94 P95 K103C14-G16 PolarHBondContact O-N 3.23Å; C14-G16 VanDerWaalsContact O-N 3.16Å; C14-C34 VanDerWaalsContact SG-SG 3.63Å; C14-A93 CarbonylContact C-O 3.48Å; C14-A93 WeakPolarHBondContact CA-O 3.44Å; C14-A93 HydrophobicContact CB-CB 4.35Å; C14-N94 CarbonylContact O-C 3.59Å; C14-N94 VanDerWaalsContact O-C 3.31Å; C14-P95 WeakPolarHBondContact O-CD 3.48Å; C14-P95 WeakPolarHBondContact O-CG 3.34Å; C14-P95 VanDerWaalsContact O-N 3.11Å; C14-K103 HydrophobicContact CB-CD 4.35Å; C14-K103 HydrophobicContact CB-CG 4.35Å
15S95.4Very high89.9Confident58 Ų5839.4 Ų39.441%0.40622%0.215SC..  trans60.715-176.4-35.60000115.2C11C11-S15 VanDerWaalsContact O-CA 3.22Å; C11-S15 WeakPolarHBondContact O-CA 3.23Å; C11-S15 PolarHBondContact O-N 3.49Å
16G94.3Very high92Very high5 Ų535.1 Ų35.15%0.05219%0.191CC..  trans-66.4150.2172.900000112V10 C11 C14V10-G16 CarbonylContact C-O 3.42Å; V10-G16 WeakPolarHBondContact CA-O 3.33Å; C11-G16 WeakPolarHBondContact CB-O 3.49Å; C11-G16 PolarHBondContact N-O 3.42Å; C14-G16 PolarHBondContact O-N 3.23Å; C14-G16 VanDerWaalsContact O-N 3.16Å
17P94.3Very high93.6Very high89 Ų8926.6 Ų26.658%0.57816%0.159SC*.BIsolated β-bridgetrans-69.4165.4-176.931.1-36.8000112.9
18D90.4Very high94.8Very high137 Ų13724.6 Ų24.673%0.73314%0.144SC*.SBendtrans49.560164.7-63.7-54.7000115.1E9 S20E9-D18 PolarHBondContact O-N 3.06Å; E9-D18 VanDerWaalsContact O-N 3.1Å; D18-S20 PolarHBondContact O-N 3.27Å
19P95.1Very high95.8Very high15 Ų1523.3 Ų23.310%0.09713%0.134CC..  trans-60.6138.8178.228.2-36.3000112.3F29 I30 L51P19-F29 HydrophobicContact CB-CB 3.87Å; P19-F29 HydrophobicContact CG-CB 3.69Å; P19-F29 HydrophobicContact CG-CD2 4.34Å; P19-I30 WeakPolarHBondContact CB-O 3.37Å; P19-L51 WeakPolarHBondContact O-CD1 3.33Å
20S95Very high96.3Very high21 Ų2119.6 Ų19.615%0.14712%0.117CC..  trans-100.7-20.9-174.436.80000113.4D18 I30 D32 H50 L51D18-S20 PolarHBondContact O-N 3.27Å; S20-I30 PolarHBondContact N-O 3.43Å; S20-D32 PolarHBondContact OG-N 3.03Å; S20-D32 PolarHBondContact OG-OD1 3.25Å; S20-D32 PolarHBondContact OG-OD2 3.35Å; S20-H50 PolarHBondContact O-CE1 3.38Å; S20-H50 PolarHBondContact O-ND1 3.07Å; S20-L51 WeakPolarHBondContact O-CB 3.34Å; S20-L51 WeakPolarHBondContact O-CG 3.24Å; S20-L51 PolarHBondContact O-N 2.81Å
21W97.3Very high96.3Very high1 Ų119.1 Ų19.10%0.00412%0.115CC..EExtended strand (participates in β ladder)trans-125164.8-174.3-59.183.2000112.3F29 I30 D32 C35 V48 H50 T294 V297 W298W21-F29 CarbonylContact O-C 3.47Å; W21-F29 WeakPolarHBondContact O-CA 3.4Å; W21-I30 HydrophobicContact CB-CG1 3.81Å; W21-I30 PolarHBondContact N-O 3.21Å; W21-I30 PolarHBondContact O-N 3.28Å; W21-D32 PolarHBondContact NE1-OD1 3.26Å; W21-C35 HydrophobicContact CB-CB 4.21Å; W21-C35 HydrophobicContact CD2-CB 4.2Å; W21-C35 HydrophobicContact CG-CB 3.8Å; W21-C35 VanDerWaalsContact CG-SG 3.54Å; W21-V48 HydrophobicContact CD2-CG1 4.39Å; W21-V48 HydrophobicContact CE3-CG1 3.53Å; W21-V48 HydrophobicContact CZ3-CG1 3.97Å; W21-H50 HydrophobicContact CD2-CB 4.01Å; W21-H50 AromaticContact CE2-CD2 3.57Å; W21-H50 HydrophobicContact CE3-CB 3.64Å; W21-H50 HydrophobicContact CH2-CB 4.02Å; W21-H50 HydrophobicContact CZ2-CB 4.34Å; W21-H50 AromaticContact CZ2-CD2 3.6Å; W21-H50 HydrophobicContact CZ3-CB 3.66Å; W21-H50 AromaticContact NE1-CD2 3.95Å; W21-T294 HydrophobicContact CH2-CG2 4.22Å; W21-T294 HydrophobicContact CZ3-CG2 3.94Å; W21-V297 HydrophobicContact CH2-CB 4.24Å; W21-V297 HydrophobicContact CH2-CG1 3.68Å; W21-V297 HydrophobicContact CZ2-CG1 4.23Å; W21-V297 HydrophobicContact CZ3-CG1 4.34Å; W21-W298 HydrophobicContact CH2-CE3 4.38Å; W21-W298 AromaticContact CZ2-CE3 3.76Å; W21-W298 HydrophobicContact CZ2-CE3 3.76Å; W21-W298 HydrophobicContact CZ2-CZ3 4.41Å
22A98.2Very high96.2Very high0 Ų021.4 Ų21.40%013%0.127CC..EExtended strand (participates in β ladder)trans-125.5147.1171.300000111.7T28 F29 V48 R49 L51 W56 V64A22-T28 CarbonylContact C-O 3.59Å; A22-T28 WeakPolarHBondContact CA-O 3.44Å; A22-F29 HydrophobicContact CB-CD1 3.82Å; A22-F29 HydrophobicContact CB-CE1 4.02Å; A22-V48 WeakPolarHBondContact O-CA 3.39Å; A22-R49 PolarHBondContact N-O 3.04Å; A22-R49 PolarHBondContact O-N 3.44Å; A22-L51 HydrophobicContact CB-CD2 4.02Å; A22-W56 HydrophobicContact CB-CH2 3.79Å; A22-W56 HydrophobicContact CB-CZ2 4.09Å; A22-V64 HydrophobicContact CB-CG1 4.19Å
23S98.3Very high96Very high0 Ų025.3 Ų25.30%015%0.145CC..EExtended strand (participates in β ladder)trans-100.598.3161.1-173.20000108.1N25 R26 G27 T28 S46 Q47S23-N25 PolarHBondContact O-N 3.43Å; S23-R26 PolarHBondContact O-N 2.89Å; S23-R26 VanDerWaalsContact O-N 3.12Å; S23-R26 WeakPolarHBondContact OG-CG 3.49Å; S23-G27 PolarHBondContact O-N 2.94Å; S23-G27 VanDerWaalsContact O-N 3.08Å; S23-T28 PolarHBondContact N-O 3.04Å; S23-T28 PolarHBondContact O-N 3.25Å; S23-S46 PolarHBondContact OG-OG 2.86Å; S23-Q47 CarbonylContact C-O 3.55Å; S23-Q47 WeakPolarHBondContact CA-O 3.05Å
24V98.4Very high95.9Very high8 Ų825.2 Ų25.25%0.04815%0.145CC..G310 helixtrans-62.4-47.9-165.3-177.20000111.4R26 G27 Q47 R49 W56 L60 M63 V64 V188V24-R26 PolarHBondContact O-N 3.11Å; V24-G27 PolarHBondContact O-N 3.32Å; V24-Q47 HydrophobicContact CB-CB 4.3Å; V24-Q47 PolarHBondContact N-O 3.42Å; V24-R49 HydrophobicContact CG2-CB 4.03Å; V24-W56 HydrophobicContact CG2-CH2 3.95Å; V24-W56 HydrophobicContact CG2-CZ3 4.27Å; V24-L60 HydrophobicContact CG1-CD1 4.05Å; V24-M63 HydrophobicContact CG1-CE 4.37Å; V24-V64 HydrophobicContact CB-CG2 4.41Å; V24-V64 HydrophobicContact CG1-CG2 3.92Å; V24-V188 HydrophobicContact CG1-CG1 4.09Å; V24-V188 HydrophobicContact CG1-CG2 3.76Å
25N97.9Very high95.9Very high10 Ų1025.2 Ų25.25%0.05314%0.144CC..G310 helixtrans-73-11.5178.568.8-50.2000114.1S23 I45 S46 Q47 V188 Y189S23-N25 PolarHBondContact O-N 3.43Å; N25-I45 PolarHBondContact ND2-O 3Å; N25-I45 VanDerWaalsContact ND2-O 3.08Å; N25-S46 WeakPolarHBondContact OD1-CA 3.38Å; N25-Q47 HydrophobicContact CB-CG 4.23Å; N25-Q47 PolarHBondContact OD1-N 3.29Å; N25-V188 HydrophobicContact CB-CG1 3.69Å; N25-Y189 HydrophobicContact CB-CE2 4.31Å; N25-Y189 WeakPolarHBondContact O-CE2 3.43Å; N25-Y189 PolarHBondContact O-OH 2.82Å; N25-Y189 VanDerWaalsContact O-OH 3.07Å
26R97.8Very high95.9Very high25 Ų2522.7 Ų22.79%0.09413%0.127CC..G310 helixtrans-100.3-11.8176.3-58.5-59.1178.3161.6-2113.2S23 V24 I45 W76 Y111S23-R26 PolarHBondContact O-N 2.89Å; S23-R26 VanDerWaalsContact O-N 3.12Å; S23-R26 WeakPolarHBondContact OG-CG 3.49Å; V24-R26 PolarHBondContact O-N 3.11Å; R26-I45 PolarHBondContact NE-O 3.37Å; R26-I45 PolarHBondContact NH2-O 2.97Å; R26-W76 HydrophobicContact CB-CZ2 4.47Å; R26-W76 PolarHBondContact O-NE1 3.13Å; R26-Y111 HydrophobicContact CB-CD1 4.44Å; R26-Y111 HydrophobicContact CB-CE1 3.97Å; R26-Y111 HydrophobicContact CG-CD1 3.83Å; R26-Y111 HydrophobicContact CG-CE1 3.85Å; R26-Y111 PolarHBondContact NH2-O 3.47Å
27G97.2Very high95.9Very high0 Ų022.5 Ų22.50%013%0.125CC..THydrogen-bonded Turntrans65.239.3-177.400000112.5S23 V24 Y68S23-G27 PolarHBondContact O-N 2.94Å; S23-G27 VanDerWaalsContact O-N 3.08Å; V24-G27 PolarHBondContact O-N 3.32Å; G27-Y68 VanDerWaalsContact O-CA 3.27Å; G27-Y68 WeakPolarHBondContact O-CA 3.17Å; G27-Y68 VanDerWaalsContact O-CB 3.23Å; G27-Y68 WeakPolarHBondContact O-CB 3.36Å; G27-Y68 PolarHBondContact O-N 3.24Å
28T97.4Very high96.1Very high0 Ų018.3 Ų18.30%010%0.097CC..EExtended strand (participates in β ladder)trans-134.6145.9-174.651.60000112.9A12 A22 S23 Y68 N73A12-T28 HydrophobicContact CB-CG2 3.76Å; A22-T28 CarbonylContact C-O 3.59Å; A22-T28 WeakPolarHBondContact CA-O 3.44Å; S23-T28 PolarHBondContact N-O 3.04Å; S23-T28 PolarHBondContact O-N 3.25Å; T28-Y68 HydrophobicContact CG2-CD2 4.01Å; T28-Y68 HydrophobicContact CG2-CE2 4.18Å; T28-N73 HydrophobicContact CG2-CB 4.38Å
29F97.9Very high96.3Very high9 Ų912.6 Ų12.64%0.0397%0.066CC..EExtended strand (participates in β ladder)trans-99142.1168.5-66.7-12000111.1A12 P19 W21 A22 L51 L61 V64 E65 Y68A12-F29 VanDerWaalsContact CB-O 3.29Å; A12-F29 WeakPolarHBondContact CB-O 3.3Å; A12-F29 PolarHBondContact N-O 3.5Å; P19-F29 HydrophobicContact CB-CB 3.87Å; P19-F29 HydrophobicContact CG-CB 3.69Å; P19-F29 HydrophobicContact CG-CD2 4.34Å; W21-F29 CarbonylContact O-C 3.47Å; W21-F29 WeakPolarHBondContact O-CA 3.4Å; A22-F29 HydrophobicContact CB-CD1 3.82Å; A22-F29 HydrophobicContact CB-CE1 4.02Å; F29-L51 HydrophobicContact CD1-CD2 4.14Å; F29-L51 HydrophobicContact CD2-CD1 4.22Å; F29-L51 HydrophobicContact CE1-CD2 3.6Å; F29-L51 HydrophobicContact CE2-CD1 4.22Å; F29-L51 HydrophobicContact CE2-CD2 4.42Å; F29-L51 HydrophobicContact CG-CD1 4.36Å; F29-L51 HydrophobicContact CZ-CD1 4.34Å; F29-L51 HydrophobicContact CZ-CD2 3.74Å; F29-L61 HydrophobicContact CE1-CD1 4.49Å; F29-L61 HydrophobicContact CZ-CD1 4.26Å; F29-V64 HydrophobicContact CD1-CG1 4.03Å; F29-V64 HydrophobicContact CE1-CB 4.45Å; F29-V64 HydrophobicContact CE1-CG1 3.68Å; F29-E65 HydrophobicContact CE1-CG 4.37Å; F29-E65 HydrophobicContact CE2-CG 4.04Å; F29-E65 HydrophobicContact CZ-CG 3.45Å; F29-E65 VanDerWaalsContact CZ-CG 3.45Å; F29-Y68 HydrophobicContact CB-CD1 3.78Å; F29-Y68 HydrophobicContact CB-CE1 3.64Å; F29-Y68 HydrophobicContact CD1-CD1 4.43Å; F29-Y68 AromaticContact CD2-CD1 3.93Å; F29-Y68 HydrophobicContact CD2-CD1 3.93Å; F29-Y68 HydrophobicContact CD2-CE1 4.29Å; F29-Y68 AromaticContact CG-CD1 3.76Å; F29-Y68 HydrophobicContact CG-CD1 3.76Å; F29-Y68 HydrophobicContact CG-CE1 4.11Å
30I97.3Very high96.3Very high0 Ų014 Ų140%08%0.076CC..EExtended strand (participates in β ladder)trans-138.8148.3-172.966.8-175.6000111A12 D13 P19 S20 W21 C34 C35 H38A12-I30 HydrophobicContact CB-CG2 4.36Å; D13-I30 WeakPolarHBondContact OD2-CG2 3.46Å; P19-I30 WeakPolarHBondContact CB-O 3.37Å; S20-I30 PolarHBondContact N-O 3.43Å; W21-I30 HydrophobicContact CB-CG1 3.81Å; W21-I30 PolarHBondContact N-O 3.21Å; W21-I30 PolarHBondContact O-N 3.28Å; I30-C34 HydrophobicContact CB-CB 4.15Å; I30-C35 HydrophobicContact CD1-CB 4.14Å; I30-C35 HydrophobicContact CG1-CB 4.29Å; I30-H38 HydrophobicContact CD1-CB 4.01Å
31C95.2Very high96.4Very high20 Ų2013.5 Ų13.514%0.1357%0.071CC..  trans-82.2167.5173.265.40000111.7C11 E33 C34 C35C11-C31 HydrophobicContact CB-CB 4.09Å; C11-C31 PolarHBondContact SG-N 2.92Å; C11-C31 VanDerWaalsContact SG-N 3.4Å; C11-C31 VanDerWaalsContact SG-SG 3.64Å; C31-E33 VanDerWaalsContact C-N 3.32Å; C31-E33 PolarHBondContact O-N 2.89Å; C31-C34 PolarHBondContact O-N 3.37Å; C31-C35 WeakPolarHBondContact O-CB 3.17Å; C31-C35 PolarHBondContact O-N 2.96Å
32D93Very high96.3Very high48 Ų4813.9 Ų13.926%0.2578%0.076SC..Hα-helixtrans-53.9-42.9-176.5-57.6-86.1000113.5S20 W21 C34 C35 S36 W298S20-D32 PolarHBondContact OG-N 3.03Å; S20-D32 PolarHBondContact OG-OD1 3.25Å; S20-D32 PolarHBondContact OG-OD2 3.35Å; W21-D32 PolarHBondContact NE1-OD1 3.26Å; D32-C34 VanDerWaalsContact C-N 3.31Å; D32-C34 PolarHBondContact O-N 3.24Å; D32-C35 WeakPolarHBondContact O-CB 3.5Å; D32-C35 PolarHBondContact O-N 2.92Å; D32-S36 PolarHBondContact O-N 3.35Å; D32-W298 HydrophobicContact CB-CH2 4.42Å; D32-W298 HydrophobicContact CB-CZ3 4.25Å; D32-W298 VanDerWaalsContact O-CH2 3.26Å; D32-W298 WeakPolarHBondContact O-CH2 3.36Å; D32-W298 WeakPolarHBondContact O-CZ3 3.42Å
33E92.8Very high96.3Very high83 Ų8316.3 Ų16.339%0.3889%0.085SC..Hα-helixtrans-63-32.4177.4-78.1-171.8-115.800114.2C31 S36 V99 K103C31-E33 VanDerWaalsContact C-N 3.32Å; C31-E33 PolarHBondContact O-N 2.89Å; E33-S36 PolarHBondContact O-OG 2.84Å; E33-S36 VanDerWaalsContact O-OG 3.05Å; E33-V99 HydrophobicContact CB-CG2 4.04Å; E33-V99 HydrophobicContact CG-CG2 3.79Å; E33-V99 WeakPolarHBondContact OE2-CG2 3.47Å; E33-K103 HydrophobicContact CB-CD 4.43Å; E33-K103 VanDerWaalsContact CD-NZ 3.34Å; E33-K103 IonicContact OE1-NZ 3.23Å; E33-K103 PolarHBondContact OE1-NZ 3.11Å; E33-K103 IonicContact OE2-NZ 2.77Å; E33-K103 PolarHBondContact OE2-NZ 3.38Å
34C96Very high96.2Very high0 Ų019.5 Ų19.50%010%0.1CC..Hα-helixtrans-82.5-34.3174.5-650000110.4C11 D13 C14 I30 C31 D32 S36 V37 H38 I107C11-C34 VanDerWaalsContact SG-SG 3.62Å; D13-C34 HydrophobicContact CB-CB 4.45Å; C14-C34 VanDerWaalsContact SG-SG 3.63Å; I30-C34 HydrophobicContact CB-CB 4.15Å; C31-C34 PolarHBondContact O-N 3.37Å; D32-C34 VanDerWaalsContact C-N 3.31Å; D32-C34 PolarHBondContact O-N 3.24Å; C34-S36 PolarHBondContact O-N 3.5Å; C34-V37 PolarHBondContact O-N 2.96Å; C34-H38 PolarHBondContact O-CD2 2.94Å; C34-H38 VanDerWaalsContact O-CD2 3.25Å; C34-H38 PolarHBondContact O-N 3.38Å; C34-I107 HydrophobicContact CB-CD1 3.75Å
35C95.9Very high96.1Very high0 Ų019.7 Ų19.70%010%0.1CC..Hα-helixtrans-57.8-44.3174.5-1790000112.6W21 I30 C31 D32 V37 H38 R39 V48 W298W21-C35 HydrophobicContact CB-CB 4.21Å; W21-C35 HydrophobicContact CD2-CB 4.2Å; W21-C35 HydrophobicContact CG-CB 3.8Å; W21-C35 VanDerWaalsContact CG-SG 3.54Å; I30-C35 HydrophobicContact CD1-CB 4.14Å; I30-C35 HydrophobicContact CG1-CB 4.29Å; C31-C35 WeakPolarHBondContact O-CB 3.17Å; C31-C35 PolarHBondContact O-N 2.96Å; D32-C35 WeakPolarHBondContact O-CB 3.5Å; D32-C35 PolarHBondContact O-N 2.92Å; C35-V37 PolarHBondContact O-N 3.45Å; C35-H38 PolarHBondContact O-N 2.96Å; C35-R39 WeakPolarHBondContact O-CG 3.47Å; C35-R39 PolarHBondContact O-N 3.36Å; C35-V48 VanDerWaalsContact SG-CG1 3.54Å; C35-W298 HydrophobicContact CB-CZ3 4.16Å
36S93.4Very high96.2Very high6 Ų619.3 Ų19.34%0.04210%0.098CC..Hα-helixtrans-54.6-41.3177.464.50000112.4D32 E33 C34 S40D32-S36 PolarHBondContact O-N 3.35Å; E33-S36 PolarHBondContact O-OG 2.84Å; E33-S36 VanDerWaalsContact O-OG 3.05Å; C34-S36 PolarHBondContact O-N 3.5Å; S36-S40 PolarHBondContact O-N 3.15Å
37V95.7Very high96.2Very high1 Ų120.1 Ų20.11%0.00610%0.103CC..Hα-helixtrans-67.6-48.9175-172.60000110.5C34 C35 R39 S40 L41 V99 A104 I107C34-V37 PolarHBondContact O-N 2.96Å; C35-V37 PolarHBondContact O-N 3.45Å; V37-R39 VanDerWaalsContact C-N 3.27Å; V37-R39 PolarHBondContact O-N 2.93Å; V37-S40 WeakPolarHBondContact O-CA 3.32Å; V37-S40 WeakPolarHBondContact O-CB 3.44Å; V37-S40 PolarHBondContact O-N 2.95Å; V37-S40 PolarHBondContact O-OG 3.38Å; V37-L41 WeakPolarHBondContact O-CG 3.32Å; V37-L41 PolarHBondContact O-N 3.47Å; V37-V99 HydrophobicContact CG2-CG1 4.1Å; V37-A104 HydrophobicContact CG1-CB 4.07Å; V37-A104 HydrophobicContact CG2-CB 3.85Å; V37-I107 HydrophobicContact CB-CD1 3.93Å; V37-I107 HydrophobicContact CB-CG2 4.11Å; V37-I107 HydrophobicContact CG1-CB 3.98Å; V37-I107 HydrophobicContact CG1-CD1 4.31Å; V37-I107 HydrophobicContact CG1-CG2 3.59Å; V37-I107 HydrophobicContact CG2-CD1 4.12Å
38H97.5Very high96.2Very high0 Ų020.6 Ų20.60%011%0.106CC..Hα-helixtrans-55.6-40.6178.7-85.4-118000112.8D13 I30 C34 C35 S40 L41 S46 V48 I107 Y111D13-H38 IonicContact OD2-NE2 2.72Å; D13-H38 PolarHBondContact OD2-NE2 3.22Å; I30-H38 HydrophobicContact CD1-CB 4.01Å; C34-H38 PolarHBondContact O-CD2 2.94Å; C34-H38 VanDerWaalsContact O-CD2 3.25Å; C34-H38 PolarHBondContact O-N 3.38Å; C35-H38 PolarHBondContact O-N 2.96Å; H38-S40 VanDerWaalsContact C-N 3.28Å; H38-S40 PolarHBondContact O-N 2.9Å; H38-L41 PolarHBondContact O-N 2.99Å; H38-L41 VanDerWaalsContact O-N 3.14Å; H38-S46 WeakPolarHBondContact ND1-CB 3.36Å; H38-S46 PolarHBondContact ND1-OG 3.5Å; H38-V48 HydrophobicContact CB-CG2 3.78Å; H38-I107 VanDerWaalsContact CD2-CG2 3.5Å; H38-I107 WeakPolarHBondContact CD2-CG2 3.46Å; H38-Y111 AromaticContact CE1-CD2 3.6Å; H38-Y111 AromaticContact CE1-CE2 3.26Å; H38-Y111 WeakPolarHBondContact CE1-CE2 3.48Å; H38-Y111 AromaticContact CE1-CZ 3.78Å; H38-Y111 AromaticContact NE2-CD2 3.59Å; H38-Y111 AromaticContact NE2-CE2 3.2Å; H38-Y111 WeakPolarHBondContact NE2-CE2 3.48Å
39R95.9Very high96.2Very high17 Ų1722.8 Ų22.86%0.06412%0.115CC..Hα-helixtrans-59.8-37.6174.9-67179.869.8-144.8-4.7112.1C35 V37 L41 G42 V48 T294 D295 W298 V314C35-R39 WeakPolarHBondContact O-CG 3.47Å; C35-R39 PolarHBondContact O-N 3.36Å; V37-R39 VanDerWaalsContact C-N 3.27Å; V37-R39 PolarHBondContact O-N 2.93Å; R39-L41 VanDerWaalsContact C-N 3.27Å; R39-L41 PolarHBondContact O-N 2.73Å; R39-G42 PolarHBondContact O-N 3.32Å; R39-V48 HydrophobicContact CG-CG1 4.28Å; R39-V48 HydrophobicContact CG-CG2 4.4Å; R39-T294 HydrophobicContact CG-CG2 4.32Å; R39-T294 VanDerWaalsContact NE-CG2 3.33Å; R39-D295 IonicContact CZ-OD1 3.02Å; R39-D295 IonicContact NH1-OD1 2.79Å; R39-D295 PolarHBondContact NH1-OD1 2.99Å; R39-D295 IonicContact NH2-OD1 3.49Å; R39-D295 PolarHBondContact NH2-OD1 2.94Å; R39-W298 VanDerWaalsContact NH1-CG 3.29Å; R39-V314 HydrophobicContact CB-CG2 3.96Å
40S94.8Very high96.1Very high46 Ų4622.8 Ų22.832%0.32212%0.115SC..Hα-helixtrans-70-18.5177.578.80000114.3S36 V37 H38 P318S36-S40 PolarHBondContact O-N 3.15Å; V37-S40 WeakPolarHBondContact O-CA 3.32Å; V37-S40 WeakPolarHBondContact O-CB 3.44Å; V37-S40 PolarHBondContact O-N 2.95Å; V37-S40 PolarHBondContact O-OG 3.38Å; H38-S40 VanDerWaalsContact C-N 3.28Å; H38-S40 PolarHBondContact O-N 2.9Å; S40-P318 WeakPolarHBondContact O-CB 3.47Å
41L96.3Very high96.1Very high9 Ų924.3 Ų24.35%0.04712%0.123CC..Hα-helixtrans-83.2-23.7176.7-50.7-174.5000112.6V37 H38 R39 H44 I45 I107 R108V37-L41 WeakPolarHBondContact O-CG 3.32Å; V37-L41 PolarHBondContact O-N 3.47Å; H38-L41 PolarHBondContact O-N 2.99Å; H38-L41 VanDerWaalsContact O-N 3.14Å; R39-L41 VanDerWaalsContact C-N 3.27Å; R39-L41 PolarHBondContact O-N 2.73Å; L41-H44 PolarHBondContact O-CE1 2.95Å; L41-I45 HydrophobicContact CB-CB 3.95Å; L41-I45 HydrophobicContact CB-CD1 3.97Å; L41-I45 HydrophobicContact CB-CG2 4.01Å; L41-I45 HydrophobicContact CD1-CG2 3.7Å; L41-I107 HydrophobicContact CD1-CG2 4.05Å; L41-R108 HydrophobicContact CD2-CG 3.98Å
42G96.1Very high95.9Very high9 Ų932.3 Ų32.39%0.09316%0.155CC..  trans77.3166-178.400000114.6R39 H44 I45 S46R39-G42 PolarHBondContact O-N 3.32Å; G42-H44 VanDerWaalsContact C-N 3.28Å; G42-H44 PolarHBondContact O-N 3.3Å; G42-I45 PolarHBondContact O-N 2.99Å; G42-S46 PolarHBondContact O-N 3.32Å
43R97.3Very high95.8Very high51 Ų5135.3 Ų35.319%0.19217%0.167CC..THydrogen-bonded Turntrans-62.7-28.6-166.5-58.8-177.175-104.1-16114.9I45 S46 Q47 D287 D290R43-I45 PolarHBondContact O-N 3.19Å; R43-S46 WeakPolarHBondContact CA-O 3.43Å; R43-Q47 HydrophobicContact CB-CG 4.44Å; R43-Q47 WeakPolarHBondContact O-CG 2.98Å; R43-D287 VanDerWaalsContact CD-OD1 3.23Å; R43-D287 WeakPolarHBondContact CD-OD1 3.37Å; R43-D287 IonicContact CZ-OD1 3.5Å; R43-D287 IonicContact NE-OD1 2.74Å; R43-D287 IonicContact NH1-OD1 3.61Å; R43-D287 PolarHBondContact NH1-OD1 3.3Å; R43-D290 WeakPolarHBondContact CD-OD2 3.47Å; R43-D290 IonicContact NE-OD2 2.71Å; R43-D290 PolarHBondContact NE-OD2 3.3Å
44H96Very high95.5Very high67 Ų6733 Ų3331%0.3116%0.159SC..THydrogen-bonded Turntrans-63.3-28.5175.770.3-75.7000112.5L41 G42 V319 N320 P321L41-H44 PolarHBondContact O-CE1 2.95Å; G42-H44 VanDerWaalsContact C-N 3.28Å; G42-H44 PolarHBondContact O-N 3.3Å; H44-V319 PolarHBondContact CE1-O 3.31Å; H44-N320 PolarHBondContact CD2-OD1 3Å; H44-P321 WeakPolarHBondContact NE2-CD 3.31Å
45I97.7Very high95.2Very high12 Ų1237.6 Ų37.66%0.06219%0.189CC..THydrogen-bonded Turntrans-96.3-48171.9-66.5159.9000110.9N25 R26 L41 G42 R43 Q112N25-I45 PolarHBondContact ND2-O 3Å; N25-I45 VanDerWaalsContact ND2-O 3.08Å; R26-I45 PolarHBondContact NE-O 3.37Å; R26-I45 PolarHBondContact NH2-O 2.97Å; L41-I45 HydrophobicContact CB-CB 3.95Å; L41-I45 HydrophobicContact CB-CD1 3.97Å; L41-I45 HydrophobicContact CB-CG2 4.01Å; L41-I45 HydrophobicContact CD1-CG2 3.7Å; G42-I45 PolarHBondContact O-N 2.99Å; R43-I45 PolarHBondContact O-N 3.19Å; I45-Q112 HydrophobicContact CD1-CB 3.99Å; I45-Q112 HydrophobicContact CD1-CG 3.69Å
46S98.3Very high95.1Very high2 Ų239.3 Ų39.31%0.01420%0.195CC..  trans-142.3116.3-176.9173.30000112.6S23 N25 H38 G42 R43 V48S23-S46 PolarHBondContact OG-OG 2.86Å; N25-S46 WeakPolarHBondContact OD1-CA 3.38Å; H38-S46 WeakPolarHBondContact ND1-CB 3.36Å; H38-S46 PolarHBondContact ND1-OG 3.5Å; G42-S46 PolarHBondContact O-N 3.32Å; R43-S46 WeakPolarHBondContact CA-O 3.43Å; S46-V48 PolarHBondContact O-N 3.5Å; S46-V48 WeakPolarHBondContact OG-CG2 3.45Å
47Q98.1Very high95.2Very high43 Ų4339.9 Ų39.920%0.20120%0.199CC..  trans-82.8105.5169.2-58.1179.827.400109S23 V24 N25 R43 V188S23-Q47 CarbonylContact C-O 3.55Å; S23-Q47 WeakPolarHBondContact CA-O 3.05Å; V24-Q47 HydrophobicContact CB-CB 4.3Å; V24-Q47 PolarHBondContact N-O 3.42Å; N25-Q47 HydrophobicContact CB-CG 4.23Å; N25-Q47 PolarHBondContact OD1-N 3.29Å; R43-Q47 HydrophobicContact CB-CG 4.44Å; R43-Q47 WeakPolarHBondContact O-CG 2.98Å; Q47-V188 PolarHBondContact NE2-O 2.73Å
48V97.4Very high95.3Very high10 Ų1044.8 Ų44.86%0.06123%0.231CC..EExtended strand (participates in β ladder)trans-93.9136-172.4174.80000111.1W21 A22 C35 H38 R39 S46W21-V48 HydrophobicContact CD2-CG1 4.39Å; W21-V48 HydrophobicContact CE3-CG1 3.53Å; W21-V48 HydrophobicContact CZ3-CG1 3.97Å; A22-V48 WeakPolarHBondContact O-CA 3.39Å; C35-V48 VanDerWaalsContact SG-CG1 3.54Å; H38-V48 HydrophobicContact CB-CG2 3.78Å; R39-V48 HydrophobicContact CG-CG1 4.28Å; R39-V48 HydrophobicContact CG-CG2 4.4Å; S46-V48 PolarHBondContact O-N 3.5Å; S46-V48 WeakPolarHBondContact OG-CG2 3.45Å
49R97.4Very high95.3Very high46 Ų4645.1 Ų45.117%0.17423%0.233CC..EExtended strand (participates in β ladder)trans-146.6136.2175.5-165.7171.3-170.2139.92.6111.4A22 V24 T54 P55 W56A22-R49 PolarHBondContact N-O 3.04Å; A22-R49 PolarHBondContact O-N 3.44Å; V24-R49 HydrophobicContact CG2-CB 4.03Å; R49-T54 VanDerWaalsContact CG-OG1 3.27Å; R49-T54 WeakPolarHBondContact CG-OG1 3.45Å; R49-P55 PolarHBondContact NH2-O 3.39Å; R49-W56 HydrophobicContact CB-CH2 3.95Å; R49-W56 HydrophobicContact CB-CZ2 3.63Å; R49-W56 HydrophobicContact CG-CD2 4.44Å; R49-W56 HydrophobicContact CG-CH2 4.1Å; R49-W56 HydrophobicContact CG-CZ2 3.53Å
50H97.1Very high95.4Very high9 Ų944.8 Ų44.84%0.04223%0.232CC..EExtended strand (participates in β ladder)trans-80.1132178.9-169.9-50.8000110.5S20 W21 K52 H53 T54 W56 V297S20-H50 PolarHBondContact O-CE1 3.38Å; S20-H50 PolarHBondContact O-ND1 3.07Å; W21-H50 HydrophobicContact CD2-CB 4.01Å; W21-H50 AromaticContact CE2-CD2 3.57Å; W21-H50 HydrophobicContact CE3-CB 3.64Å; W21-H50 HydrophobicContact CH2-CB 4.02Å; W21-H50 HydrophobicContact CZ2-CB 4.34Å; W21-H50 AromaticContact CZ2-CD2 3.6Å; W21-H50 HydrophobicContact CZ3-CB 3.66Å; W21-H50 AromaticContact NE1-CD2 3.95Å; H50-K52 PolarHBondContact ND1-N 3.23Å; H50-H53 HydrophobicContact CB-CB 4.37Å; H50-H53 AromaticContact CE1-CD2 3.73Å; H50-H53 PolarHBondContact ND1-N 3.5Å; H50-H53 AromaticContact NE2-CD2 3.86Å; H50-T54 HydrophobicContact CB-CG2 4.34Å; H50-T54 PolarHBondContact O-OG1 3.5Å; H50-W56 PolarHBondContact O-NE1 2.73Å; H50-V297 HydrophobicContact CB-CG1 3.75Å
51L95.5Very high95.5Very high32 Ų3244.4 Ų44.417%0.16823%0.226CC..THydrogen-bonded Turntrans-61.6-47.5-176.2-63.3173.5000113.8P19 S20 A22 F29 W56 L61P19-L51 WeakPolarHBondContact O-CD1 3.33Å; S20-L51 WeakPolarHBondContact O-CB 3.34Å; S20-L51 WeakPolarHBondContact O-CG 3.24Å; S20-L51 PolarHBondContact O-N 2.81Å; A22-L51 HydrophobicContact CB-CD2 4.02Å; F29-L51 HydrophobicContact CD1-CD2 4.14Å; F29-L51 HydrophobicContact CD2-CD1 4.22Å; F29-L51 HydrophobicContact CE1-CD2 3.6Å; F29-L51 HydrophobicContact CE2-CD1 4.22Å; F29-L51 HydrophobicContact CE2-CD2 4.42Å; F29-L51 HydrophobicContact CG-CD1 4.36Å; F29-L51 HydrophobicContact CZ-CD1 4.34Å; F29-L51 HydrophobicContact CZ-CD2 3.74Å; L51-W56 HydrophobicContact CD2-CZ2 4.02Å; L51-W56 PolarHBondContact O-NE1 2.67Å; L51-L61 HydrophobicContact CD2-CD1 3.86Å
52K92.7Very high95.6Very high187 Ų18748.8 Ų48.881%0.81325%0.246SC*.THydrogen-bonded Turntrans-98.2-31.7-176.2-58.9172.9-173.8167.70116H50H50-K52 PolarHBondContact ND1-N 3.23Å
53H89.5Confident95.7Very high111 Ų11148.3 Ų48.351%0.51424%0.242SC..THydrogen-bonded Turntrans-94.5-2.6-172.6-80.5-105.8000115.3H50 V297 T301H50-H53 HydrophobicContact CB-CB 4.37Å; H50-H53 AromaticContact CE1-CD2 3.73Å; H50-H53 PolarHBondContact ND1-N 3.5Å; H50-H53 AromaticContact NE2-CD2 3.86Å; H53-V297 HydrophobicContact CB-CG1 3.75Å; H53-T301 HydrophobicContact CB-CG2 4.2Å
54T86.5Confident95.7Very high36 Ų3645.9 Ų45.922%0.22123%0.233CC..SBendtrans-117.6144.916866.40000109.5R49 H50 W56 V297R49-T54 VanDerWaalsContact CG-OG1 3.27Å; R49-T54 WeakPolarHBondContact CG-OG1 3.45Å; H50-T54 HydrophobicContact CB-CG2 4.34Å; H50-T54 PolarHBondContact O-OG1 3.5Å; T54-W56 VanDerWaalsContact O-CD1 3.23Å; T54-W56 PolarHBondContact OG1-NE1 2.98Å; T54-V297 HydrophobicContact CG2-CG2 4Å
55P89.4Confident95.8Very high96 Ų9646.6 Ų46.662%0.62324%0.236SC*.  trans-67.4139.8170.329.3-33.5000109.4R49R49-P55 PolarHBondContact NH2-O 3.39Å
56W95.1Very high95.7Very high36 Ų3648 Ų4814%0.13625%0.246CC..  trans-116.3140.2176.9-75.677.2000110.8A22 V24 R49 H50 L51 T54 L60 L61 V64A22-W56 HydrophobicContact CB-CH2 3.79Å; A22-W56 HydrophobicContact CB-CZ2 4.09Å; V24-W56 HydrophobicContact CG2-CH2 3.95Å; V24-W56 HydrophobicContact CG2-CZ3 4.27Å; R49-W56 HydrophobicContact CB-CH2 3.95Å; R49-W56 HydrophobicContact CB-CZ2 3.63Å; R49-W56 HydrophobicContact CG-CD2 4.44Å; R49-W56 HydrophobicContact CG-CH2 4.1Å; R49-W56 HydrophobicContact CG-CZ2 3.53Å; H50-W56 PolarHBondContact O-NE1 2.73Å; L51-W56 HydrophobicContact CD2-CZ2 4.02Å; L51-W56 PolarHBondContact O-NE1 2.67Å; T54-W56 VanDerWaalsContact O-CD1 3.23Å; T54-W56 PolarHBondContact OG1-NE1 2.98Å; W56-L60 HydrophobicContact CE3-CD2 4.23Å; W56-L60 HydrophobicContact CE3-CG 4.19Å; W56-L60 HydrophobicContact CZ3-CD2 4.37Å; W56-L60 HydrophobicContact CZ3-CG 4.19Å; W56-L61 HydrophobicContact CB-CB 4.14Å; W56-L61 HydrophobicContact CD2-CB 4.01Å; W56-L61 HydrophobicContact CD2-CD1 4.1Å; W56-L61 HydrophobicContact CD2-CG 4.48Å; W56-L61 HydrophobicContact CE3-CB 3.66Å; W56-L61 HydrophobicContact CE3-CD1 4.06Å; W56-L61 HydrophobicContact CE3-CG 4.42Å; W56-L61 HydrophobicContact CG-CB 4.25Å; W56-L61 HydrophobicContact CG-CD2 4.45Å; W56-L61 HydrophobicContact CH2-CD1 4.26Å; W56-L61 HydrophobicContact CZ2-CD1 4.33Å; W56-L61 HydrophobicContact CZ3-CB 4.31Å; W56-L61 HydrophobicContact CZ3-CD1 4.13Å; W56-V64 HydrophobicContact CZ3-CG2 4.34Å
57P95.8Very high95.6Very high17 Ų1748 Ų4811%0.1125%0.246CC..  trans-58.9127.2154.7-15.229.2000108.3T59 L60 L61 R218P57-T59 VanDerWaalsContact C-N 3.27Å; P57-T59 PolarHBondContact O-N 3.31Å; P57-L60 HydrophobicContact CB-CB 3.92Å; P57-L60 HydrophobicContact CG-CB 4.09Å; P57-L60 HydrophobicContact CG-CD2 4.16Å; P57-L60 PolarHBondContact O-N 3.03Å; P57-L60 VanDerWaalsContact O-N 3.1Å; P57-L61 PolarHBondContact O-N 2.73Å; P57-R218 VanDerWaalsContact CB-CZ 3.49Å
58P96.6Very high95.5Very high105 Ų10546.4 Ų46.468%0.68224%0.238SC*.Hα-helixtrans-57.3-41-173.9-27.235.2000113.1L61 Q62P58-L61 PolarHBondContact O-N 3.33Å; P58-Q62 WeakPolarHBondContact O-CB 3.5Å; P58-Q62 PolarHBondContact O-N 3.23Å
59T97.7Very high95.3Very high6 Ų649 Ų494%0.03725%0.251CS..Hα-helixtrans-65.6-34.6178.545.60000113P57 M63 I180 L181 E184P57-T59 VanDerWaalsContact C-N 3.27Å; P57-T59 PolarHBondContact O-N 3.31Å; T59-M63 VanDerWaalsContact O-CB 3.32Å; T59-M63 WeakPolarHBondContact O-CB 3.48Å; T59-M63 PolarHBondContact O-N 3.05Å; T59-I180 HydrophobicContact CG2-CD1 3.58Å; T59-I180 HydrophobicContact CG2-CG1 3.89Å; T59-L181 WeakPolarHBondContact O-CD2 3.48Å; T59-E184 VanDerWaalsContact CB-OE1 3.24Å; T59-E184 WeakPolarHBondContact CB-OE1 3.3Å; T59-E184 PolarHBondContact OG1-OE1 2.96Å
60L98.3Very high95Very high10 Ų1051.7 Ų51.75%0.05227%0.269CS..Hα-helixtrans-70-43.1176.1-177.267000111.2V24 W56 P57 M63 V64 E184 V188V24-L60 HydrophobicContact CG1-CD1 4.05Å; W56-L60 HydrophobicContact CE3-CD2 4.23Å; W56-L60 HydrophobicContact CE3-CG 4.19Å; W56-L60 HydrophobicContact CZ3-CD2 4.37Å; W56-L60 HydrophobicContact CZ3-CG 4.19Å; P57-L60 HydrophobicContact CB-CB 3.92Å; P57-L60 HydrophobicContact CG-CB 4.09Å; P57-L60 HydrophobicContact CG-CD2 4.16Å; P57-L60 PolarHBondContact O-N 3.03Å; P57-L60 VanDerWaalsContact O-N 3.1Å; L60-M63 HydrophobicContact CD1-CE 3.81Å; L60-M63 PolarHBondContact O-N 2.91Å; L60-V64 WeakPolarHBondContact O-CG2 3.36Å; L60-V64 PolarHBondContact O-N 3.29Å; L60-E184 HydrophobicContact CD1-CB 4.37Å; L60-E184 PolarHBondContact N-OE1 3.09Å; L60-E184 VanDerWaalsContact N-OE1 3.09Å; L60-V188 HydrophobicContact CD1-CG2 3.74Å
61L97.4Very high94.4Very high39 Ų3952.4 Ų52.420%0.20428%0.279CS..Hα-helixtrans-65-45.6175.1-179.657.6000110.7F29 L51 W56 P57 P58 M63 V64 E65F29-L61 HydrophobicContact CE1-CD1 4.49Å; F29-L61 HydrophobicContact CZ-CD1 4.26Å; L51-L61 HydrophobicContact CD2-CD1 3.86Å; W56-L61 HydrophobicContact CB-CB 4.14Å; W56-L61 HydrophobicContact CD2-CB 4.01Å; W56-L61 HydrophobicContact CD2-CD1 4.1Å; W56-L61 HydrophobicContact CD2-CG 4.48Å; W56-L61 HydrophobicContact CE3-CB 3.66Å; W56-L61 HydrophobicContact CE3-CD1 4.06Å; W56-L61 HydrophobicContact CE3-CG 4.42Å; W56-L61 HydrophobicContact CG-CB 4.25Å; W56-L61 HydrophobicContact CG-CD2 4.45Å; W56-L61 HydrophobicContact CH2-CD1 4.26Å; W56-L61 HydrophobicContact CZ2-CD1 4.33Å; W56-L61 HydrophobicContact CZ3-CB 4.31Å; W56-L61 HydrophobicContact CZ3-CD1 4.13Å; P57-L61 PolarHBondContact O-N 2.73Å; P58-L61 PolarHBondContact O-N 3.33Å; L61-M63 VanDerWaalsContact C-N 3.27Å; L61-M63 PolarHBondContact O-N 3.35Å; L61-V64 PolarHBondContact O-N 3.28Å; L61-V64 VanDerWaalsContact O-N 3.17Å; L61-E65 HydrophobicContact CD1-CG 4.34Å; L61-E65 HydrophobicContact CG-CG 4.48Å; L61-E65 PolarHBondContact O-N 3Å
62Q97.7Very high94.2Very high100 Ų10050.9 Ų50.947%0.46727%0.271SS..Hα-helixtrans-58.2-37.9175.7-172.5-177.115.500112.2P58 T66 L181P58-Q62 WeakPolarHBondContact O-CB 3.5Å; P58-Q62 PolarHBondContact O-N 3.23Å; Q62-T66 WeakPolarHBondContact O-CB 3.36Å; Q62-T66 PolarHBondContact O-N 3.34Å; Q62-T66 PolarHBondContact O-OG1 2.64Å; Q62-L181 HydrophobicContact CB-CD2 4.12Å; Q62-L181 HydrophobicContact CG-CD1 4.22Å; Q62-L181 HydrophobicContact CG-CD2 4.08Å
63M98.3Very high94.2Very high0 Ų043 Ų430%024%0.238CC..Hα-helixtrans-62.1-47.5175.8-178.1-79.2-67.200111.2V24 T59 L60 L61 T66 L67 L146 L181 E184 L185 V188V24-M63 HydrophobicContact CG1-CE 4.37Å; T59-M63 VanDerWaalsContact O-CB 3.32Å; T59-M63 WeakPolarHBondContact O-CB 3.48Å; T59-M63 PolarHBondContact O-N 3.05Å; L60-M63 HydrophobicContact CD1-CE 3.81Å; L60-M63 PolarHBondContact O-N 2.91Å; L61-M63 VanDerWaalsContact C-N 3.27Å; L61-M63 PolarHBondContact O-N 3.35Å; M63-T66 PolarHBondContact O-N 2.85Å; M63-L67 PolarHBondContact O-N 3.43Å; M63-L67 HydrophobicContact SD-CD1 3.47Å; M63-L67 WeakPolarHBondContact SD-CD1 3.37Å; M63-L67 HydrophobicContact SD-CG 4.25Å; M63-L146 HydrophobicContact CG-CD1 4.35Å; M63-L146 HydrophobicContact CG-CD2 4.48Å; M63-L181 HydrophobicContact CB-CB 4.29Å; M63-L181 HydrophobicContact CB-CD2 4.11Å; M63-L181 HydrophobicContact CG-CB 4.32Å; M63-L181 VanDerWaalsContact CG-O 3.27Å; M63-L181 WeakPolarHBondContact CG-O 3.43Å; M63-E184 HydrophobicContact CB-CB 4.08Å; M63-E184 HydrophobicContact CE-CB 4.39Å; M63-E184 HydrophobicContact CG-CB 3.99Å; M63-L185 HydrophobicContact CG-CB 4.22Å; M63-L185 HydrophobicContact SD-CB 4.04Å; M63-L185 HydrophobicContact SD-CD1 4.3Å; M63-V188 HydrophobicContact CE-CG2 4.04Å
64V98.1Very high94.4Very high0 Ų039.3 Ų39.30%022%0.224CC..Hα-helixtrans-66.8-43.6177.8-178.70000111.7A22 V24 F29 W56 L60 L61 T66 L67 Y68A22-V64 HydrophobicContact CB-CG1 4.19Å; V24-V64 HydrophobicContact CB-CG2 4.41Å; V24-V64 HydrophobicContact CG1-CG2 3.92Å; F29-V64 HydrophobicContact CD1-CG1 4.03Å; F29-V64 HydrophobicContact CE1-CB 4.45Å; F29-V64 HydrophobicContact CE1-CG1 3.68Å; W56-V64 HydrophobicContact CZ3-CG2 4.34Å; L60-V64 WeakPolarHBondContact O-CG2 3.36Å; L60-V64 PolarHBondContact O-N 3.29Å; L61-V64 PolarHBondContact O-N 3.28Å; L61-V64 VanDerWaalsContact O-N 3.17Å; V64-T66 VanDerWaalsContact C-N 3.32Å; V64-T66 PolarHBondContact O-N 3.38Å; V64-L67 PolarHBondContact O-N 2.71Å; V64-Y68 WeakPolarHBondContact O-CB 3.42Å; V64-Y68 PolarHBondContact O-N 2.96Å
65E96.6Very high94.8Very high81 Ų8138 Ų3838%0.37922%0.216SC..Hα-helixtrans-60.2-41.4174.7-77.5-175.3-177.900112.2F29 L61 Y68 N69F29-E65 HydrophobicContact CE1-CG 4.37Å; F29-E65 HydrophobicContact CE2-CG 4.04Å; F29-E65 HydrophobicContact CZ-CG 3.45Å; F29-E65 VanDerWaalsContact CZ-CG 3.45Å; L61-E65 HydrophobicContact CD1-CG 4.34Å; L61-E65 HydrophobicContact CG-CG 4.48Å; L61-E65 PolarHBondContact O-N 3Å; E65-Y68 PolarHBondContact O-N 3.43Å; E65-N69 WeakPolarHBondContact O-CB 3.34Å; E65-N69 PolarHBondContact O-N 2.93Å; E65-N69 PolarHBondContact O-ND2 3.36Å
66T96.7Very high95.2Very high43 Ų4333.5 Ų33.526%0.26419%0.186SC..Hα-helixtrans-68.1-44.7179.6-57.40000110.3Q62 M63 V64 N70 L146Q62-T66 WeakPolarHBondContact O-CB 3.36Å; Q62-T66 PolarHBondContact O-N 3.34Å; Q62-T66 PolarHBondContact O-OG1 2.64Å; M63-T66 PolarHBondContact O-N 2.85Å; V64-T66 VanDerWaalsContact C-N 3.32Å; V64-T66 PolarHBondContact O-N 3.38Å; T66-N70 VanDerWaalsContact O-CB 3.27Å; T66-N70 WeakPolarHBondContact O-CB 3.36Å; T66-N70 PolarHBondContact O-N 3.5Å; T66-N70 PolarHBondContact O-ND2 3.48Å; T66-L146 HydrophobicContact CG2-CD1 3.68Å
67L96.6Very high95.2Very high2 Ų232.2 Ų32.21%0.0118%0.182CC..Hα-helixtrans-57.5-49.1173-85.7175.3000112M63 V64 N70 G71 A72 L146 L150 L185M63-L67 PolarHBondContact O-N 3.43Å; M63-L67 HydrophobicContact SD-CD1 3.47Å; M63-L67 WeakPolarHBondContact SD-CD1 3.37Å; M63-L67 HydrophobicContact SD-CG 4.25Å; V64-L67 PolarHBondContact O-N 2.71Å; L67-N70 CarbonylContact O-C 3.32Å; L67-N70 PolarHBondContact O-N 3.3Å; L67-G71 PolarHBondContact O-N 3.1Å; L67-A72 HydrophobicContact CB-CB 3.99Å; L67-A72 HydrophobicContact CD2-CB 4.29Å; L67-A72 WeakPolarHBondContact O-CB 3.13Å; L67-A72 PolarHBondContact O-N 3.34Å; L67-L146 HydrophobicContact CD2-CB 3.53Å; L67-L146 HydrophobicContact CG-CB 4Å; L67-L146 HydrophobicContact CG-CD1 4.25Å; L67-L150 HydrophobicContact CD1-CD2 4.17Å; L67-L150 HydrophobicContact CD2-CB 3.97Å; L67-L150 HydrophobicContact CD2-CD2 3.77Å; L67-L150 HydrophobicContact CD2-CG 4.47Å; L67-L185 HydrophobicContact CD1-CD1 4.15Å
68Y95.5Very high95Very high8 Ų834.3 Ų34.33%0.03119%0.19CC..Hα-helixtrans-69.1-40.5-172.9-168.6-140.1000112.3S7 V10 A12 G27 T28 F29 V64 E65 G71 N73S7-Y68 WeakPolarHBondContact CB-O 3.25Å; S7-Y68 WeakPolarHBondContact O-CE1 2.93Å; S7-Y68 PolarHBondContact O-OH 3.15Å; S7-Y68 PolarHBondContact OG-O 2.91Å; V10-Y68 WeakPolarHBondContact O-CE1 3.23Å; V10-Y68 PolarHBondContact O-OH 3.25Å; A12-Y68 VanDerWaalsContact CA-OH 3.26Å; A12-Y68 WeakPolarHBondContact CA-OH 3.43Å; A12-Y68 HydrophobicContact CB-CE2 3.67Å; A12-Y68 PolarHBondContact N-OH 3.38Å; G27-Y68 VanDerWaalsContact O-CA 3.27Å; G27-Y68 WeakPolarHBondContact O-CA 3.17Å; G27-Y68 VanDerWaalsContact O-CB 3.23Å; G27-Y68 WeakPolarHBondContact O-CB 3.36Å; G27-Y68 PolarHBondContact O-N 3.24Å; T28-Y68 HydrophobicContact CG2-CD2 4.01Å; T28-Y68 HydrophobicContact CG2-CE2 4.18Å; F29-Y68 HydrophobicContact CB-CD1 3.78Å; F29-Y68 HydrophobicContact CB-CE1 3.64Å; F29-Y68 HydrophobicContact CD1-CD1 4.43Å; F29-Y68 AromaticContact CD2-CD1 3.93Å; F29-Y68 HydrophobicContact CD2-CD1 3.93Å; F29-Y68 HydrophobicContact CD2-CE1 4.29Å; F29-Y68 AromaticContact CG-CD1 3.76Å; F29-Y68 HydrophobicContact CG-CD1 3.76Å; F29-Y68 HydrophobicContact CG-CE1 4.11Å; V64-Y68 WeakPolarHBondContact O-CB 3.42Å; V64-Y68 PolarHBondContact O-N 2.96Å; E65-Y68 PolarHBondContact O-N 3.43Å; Y68-G71 PolarHBondContact O-N 3.45Å; Y68-N73 HydrophobicContact CE2-CB 4.25Å
69N93.4Very high94.8Very high65 Ų6530.4 Ų30.435%0.34817%0.165SC..Hα-helixtrans-72.5-29.6175.6-71.7-56.8000113.3S8 E65 G71S8-N69 PolarHBondContact N-OD1 2.89Å; S8-N69 PolarHBondContact OG-OD1 2.98Å; E65-N69 WeakPolarHBondContact O-CB 3.34Å; E65-N69 PolarHBondContact O-N 2.93Å; E65-N69 PolarHBondContact O-ND2 3.36Å; N69-G71 VanDerWaalsContact C-N 3.27Å; N69-G71 PolarHBondContact O-N 3.36Å
70N90.4Very high94.4Very high102 Ų10231.4 Ų31.455%0.54517%0.17SC..THydrogen-bonded Turntrans-91.927.9173.4-65.1-84.8000112.9T66 L67T66-N70 VanDerWaalsContact O-CB 3.27Å; T66-N70 WeakPolarHBondContact O-CB 3.36Å; T66-N70 PolarHBondContact O-N 3.5Å; T66-N70 PolarHBondContact O-ND2 3.48Å; L67-N70 CarbonylContact O-C 3.32Å; L67-N70 PolarHBondContact O-N 3.3Å
71G84.9Confident93.8Very high24 Ų2436 Ų3625%0.24719%0.194CC..THydrogen-bonded Turntrans81.323.1161.900000116.4L67 Y68 N69 N73 S74L67-G71 PolarHBondContact O-N 3.1Å; Y68-G71 PolarHBondContact O-N 3.45Å; N69-G71 VanDerWaalsContact C-N 3.27Å; N69-G71 PolarHBondContact O-N 3.36Å; G71-N73 PolarHBondContact O-N 3.36Å; G71-S74 VanDerWaalsContact O-CB 3.26Å; G71-S74 WeakPolarHBondContact O-CB 3.33Å; G71-S74 PolarHBondContact O-N 3.37Å; G71-S74 PolarHBondContact O-OG 3.41Å
72A91.9Very high93Very high0 Ų037.3 Ų37.30%020%0.201CC..THydrogen-bonded Turntrans-49.3-33.5171.600000113.3L67 S74 I75 L150L67-A72 HydrophobicContact CB-CB 3.99Å; L67-A72 HydrophobicContact CD2-CB 4.29Å; L67-A72 WeakPolarHBondContact O-CB 3.13Å; L67-A72 PolarHBondContact O-N 3.34Å; A72-S74 PolarHBondContact O-N 3.25Å; A72-I75 WeakPolarHBondContact O-CB 3.42Å; A72-I75 PolarHBondContact O-N 3.22Å; A72-I75 VanDerWaalsContact O-N 3.1Å; A72-L150 HydrophobicContact CB-CD2 3.65Å
73N92.7Very high92Very high22 Ų2237.5 Ų37.512%0.11821%0.212CC..Hα-helixtrans-63.1-20.4176.3-153.856.6000114A12 T28 Y68 G71 I75 W76 E77 K110A12-N73 PolarHBondContact O-ND2 3.31Å; T28-N73 HydrophobicContact CG2-CB 4.38Å; Y68-N73 HydrophobicContact CE2-CB 4.25Å; G71-N73 PolarHBondContact O-N 3.36Å; N73-I75 VanDerWaalsContact C-N 3.29Å; N73-I75 PolarHBondContact O-N 2.64Å; N73-W76 PolarHBondContact O-N 3.4Å; N73-E77 PolarHBondContact ND2-OE1 3.36Å; N73-E77 PolarHBondContact ND2-OE2 2.87Å; N73-E77 WeakPolarHBondContact O-CB 3.2Å; N73-E77 PolarHBondContact O-N 3.16Å; N73-K110 WeakPolarHBondContact OD1-CE 3.48Å; N73-K110 PolarHBondContact OD1-NZ 3.21Å
74S93.5Very high91Very high33 Ų3341 Ų4123%0.23124%0.241CC..Hα-helixtrans-71.7-20.9175.1730000113.6G71 A72 H78G71-S74 VanDerWaalsContact O-CB 3.26Å; G71-S74 WeakPolarHBondContact O-CB 3.33Å; G71-S74 PolarHBondContact O-N 3.37Å; G71-S74 PolarHBondContact O-OG 3.41Å; A72-S74 PolarHBondContact O-N 3.25Å; S74-H78 WeakPolarHBondContact O-CA 3.47Å; S74-H78 WeakPolarHBondContact O-CB 3.27Å; S74-H78 PolarHBondContact O-N 2.96Å; S74-H78 VanDerWaalsContact O-N 3.17Å
75I95.1Very high89.6Confident8 Ų842.6 Ų42.64%0.04125%0.251CS..Hα-helixtrans-69.1-47.3170.7-59.5167.6000108.9A72 N73 E147 L150 R151 S154A72-I75 WeakPolarHBondContact O-CB 3.42Å; A72-I75 PolarHBondContact O-N 3.22Å; A72-I75 VanDerWaalsContact O-N 3.1Å; N73-I75 VanDerWaalsContact C-N 3.29Å; N73-I75 PolarHBondContact O-N 2.64Å; I75-E147 HydrophobicContact CD1-CG 4.41Å; I75-L150 HydrophobicContact CD1-CB 4.15Å; I75-L150 HydrophobicContact CD1-CD2 3.84Å; I75-L150 HydrophobicContact CD1-CG 3.87Å; I75-R151 HydrophobicContact CD1-CB 3.93Å; I75-R151 HydrophobicContact CG1-CB 4.37Å; I75-S154 WeakPolarHBondContact CG2-OG 3.36Å
76W96.6Very high88.1Confident2 Ų243.6 Ų43.61%0.00826%0.258CS..Hα-helixtrans-80.5-15.1-176-46.9124.7000114.6R26 N73 K110 Y111 L114 V117 L150R26-W76 HydrophobicContact CB-CZ2 4.47Å; R26-W76 PolarHBondContact O-NE1 3.13Å; N73-W76 PolarHBondContact O-N 3.4Å; W76-K110 HydrophobicContact CB-CD 4.47Å; W76-K110 HydrophobicContact CB-CG 4.07Å; W76-Y111 HydrophobicContact CB-CE1 4.22Å; W76-Y111 AromaticContact CD1-CE1 3.89Å; W76-Y111 HydrophobicContact CD2-CD1 4.41Å; W76-Y111 HydrophobicContact CD2-CE1 4.36Å; W76-Y111 HydrophobicContact CG-CD1 4.32Å; W76-Y111 AromaticContact CG-CE1 3.9Å; W76-Y111 HydrophobicContact CG-CE1 3.9Å; W76-L114 HydrophobicContact CE3-CD2 4.32Å; W76-L114 HydrophobicContact CZ3-CD2 4.18Å; W76-V117 HydrophobicContact CE3-CG1 4.16Å; W76-L150 HydrophobicContact CZ2-CD1 4.23Å; W76-L150 HydrophobicContact CZ2-CD2 4.45Å; W76-L150 HydrophobicContact CZ2-CG 4.42Å
77E94.6Very high86.3Confident10 Ų1050 Ų505%0.04729%0.288CS..THydrogen-bonded Turntrans-125.619.8-178.7-63.2-175.4-174.900113.3N73 S79 L80 L81 K92 K110N73-E77 PolarHBondContact ND2-OE1 3.36Å; N73-E77 PolarHBondContact ND2-OE2 2.87Å; N73-E77 WeakPolarHBondContact O-CB 3.2Å; N73-E77 PolarHBondContact O-N 3.16Å; E77-S79 VanDerWaalsContact C-N 3.34Å; E77-S79 PolarHBondContact O-N 2.63Å; E77-L80 HydrophobicContact CB-CB 4.38Å; E77-L80 HydrophobicContact CB-CD1 4.17Å; E77-L80 HydrophobicContact CG-CD1 4.18Å; E77-L80 WeakPolarHBondContact O-CA 3.32Å; E77-L80 WeakPolarHBondContact O-CB 3.46Å; E77-L80 PolarHBondContact O-N 2.84Å; E77-L81 PolarHBondContact O-N 3.42Å; E77-K92 WeakPolarHBondContact OE1-CE 3.45Å; E77-K92 IonicContact OE1-NZ 2.71Å; E77-K92 PolarHBondContact OE1-NZ 3.12Å; E77-K92 IonicContact OE2-NZ 3.71Å; E77-K92 PolarHBondContact OE2-NZ 2.67Å; E77-K110 HydrophobicContact CG-CD 4.19Å; E77-K110 WeakPolarHBondContact OE1-CE 3.29Å; E77-K110 IonicContact OE1-NZ 3.61Å; E77-K110 PolarHBondContact OE1-NZ 2.88Å
78H93.1Very high84.7Confident61 Ų6153.4 Ų53.428%0.28231%0.311SS..Hα-helixtrans-49.7-48.3-174-169.8-71.6000113.6S74 L80 L81 D82 F116 H118S74-H78 WeakPolarHBondContact O-CA 3.47Å; S74-H78 WeakPolarHBondContact O-CB 3.27Å; S74-H78 PolarHBondContact O-N 2.96Å; S74-H78 VanDerWaalsContact O-N 3.17Å; H78-L80 PolarHBondContact O-N 3.32Å; H78-L81 PolarHBondContact O-N 3.2Å; H78-L81 VanDerWaalsContact O-N 3.17Å; H78-D82 PolarHBondContact O-N 3.13Å; H78-D82 VanDerWaalsContact O-N 3.15Å; H78-F116 WeakPolarHBondContact CA-O 3.4Å; H78-F116 WeakPolarHBondContact CB-O 3.45Å; H78-F116 PolarHBondContact N-O 3.01Å; H78-H118 HydrophobicContact CB-CB 4.36Å; H78-H118 AromaticContact CE1-ND1 3.83Å
79S91.3Very high83.3Confident23 Ų2356.3 Ų56.316%0.16134%0.344CS..Hα-helixtrans-75.93.4179.693.50000114.5E77 S85 F116E77-S79 VanDerWaalsContact C-N 3.34Å; E77-S79 PolarHBondContact O-N 2.63Å; S79-S85 WeakPolarHBondContact O-CB 3.3Å; S79-S85 PolarHBondContact O-OG 2.73Å; S79-F116 PolarHBondContact N-O 2.94Å; S79-F116 WeakPolarHBondContact OG-CA 3.45Å
80L88.8Confident82.4Confident27 Ų2759.5 Ų59.514%0.14135%0.351CS..Hα-helixtrans-106.5-14.1171.7-52.5176000111.4E77 H78 R90 F106 F116E77-L80 HydrophobicContact CB-CB 4.38Å; E77-L80 HydrophobicContact CB-CD1 4.17Å; E77-L80 HydrophobicContact CG-CD1 4.18Å; E77-L80 WeakPolarHBondContact O-CA 3.32Å; E77-L80 WeakPolarHBondContact O-CB 3.46Å; E77-L80 PolarHBondContact O-N 2.84Å; H78-L80 PolarHBondContact O-N 3.32Å; L80-R90 HydrophobicContact CD2-CB 3.97Å; L80-F106 HydrophobicContact CD1-CE2 3.74Å; L80-F106 HydrophobicContact CD1-CZ 3.99Å; L80-F116 HydrophobicContact CD1-CB 4.41Å; L80-F116 HydrophobicContact CD1-CD1 4.21Å; L80-F116 HydrophobicContact CD1-CD2 3.95Å; L80-F116 HydrophobicContact CD1-CE2 4.25Å; L80-F116 HydrophobicContact CD1-CG 3.93Å; L80-F116 HydrophobicContact CD2-CD1 3.84Å; L80-F116 HydrophobicContact CD2-CE1 4.09Å; L80-F116 HydrophobicContact CD2-CG 4.32Å; L80-F116 HydrophobicContact CG-CB 4.2Å; L80-F116 HydrophobicContact CG-CD1 4.04Å; L80-F116 HydrophobicContact CG-CG 4.01Å
81L86.4Confident82.1Confident106 Ų10662.3 Ų62.356%0.55535%0.354SS*.Hα-helixtrans-97.6-25.5176.7-61.9175.5000112.6E77 H78 P83E77-L81 PolarHBondContact O-N 3.42Å; H78-L81 PolarHBondContact O-N 3.2Å; H78-L81 VanDerWaalsContact O-N 3.17Å; L81-P83 WeakPolarHBondContact O-CD 3.46Å
82D81.1Confident82.4Confident66 Ų6663.6 Ų63.635%0.35335%0.353SS..SBendtrans-70.1118172.6170.317.8000111.3H78 A84 S85H78-D82 PolarHBondContact O-N 3.13Å; H78-D82 VanDerWaalsContact O-N 3.15Å; D82-A84 PolarHBondContact O-N 3.4Å; D82-A84 VanDerWaalsContact O-N 3.15Å; D82-A84 WeakPolarHBondContact OD1-CB 3.46Å; D82-A84 PolarHBondContact OD1-N 2.96Å; D82-S85 PolarHBondContact O-N 3.19Å; D82-S85 PolarHBondContact O-OG 2.86Å
83P76.5Confident82.5Confident105 Ų10564 Ų6468%0.68236%0.356SS*.THydrogen-bonded Turntrans-57.3-27179-25.735.9000114.9L81L81-P83 WeakPolarHBondContact O-CD 3.46Å
84A76.4Confident82.5Confident74 Ų7466.4 Ų66.461%0.61237%0.369SS*.THydrogen-bonded Turntrans-71.1-30.2-17900000112.8D82D82-A84 PolarHBondContact O-N 3.4Å; D82-A84 VanDerWaalsContact O-N 3.15Å; D82-A84 WeakPolarHBondContact OD1-CB 3.46Å; D82-A84 PolarHBondContact OD1-N 2.96Å
85S68.9Low82.5Confident32 Ų3266.8 Ų66.822%0.22437%0.37CS..THydrogen-bonded Turntrans-96.1-10.7-175.852.10000114.9S79 D82 M87 S88S79-S85 WeakPolarHBondContact O-CB 3.3Å; S79-S85 PolarHBondContact O-OG 2.73Å; D82-S85 PolarHBondContact O-N 3.19Å; D82-S85 PolarHBondContact O-OG 2.86Å; S85-M87 PolarHBondContact O-N 2.99Å; S85-M87 VanDerWaalsContact O-N 3.1Å; S85-S88 PolarHBondContact O-N 2.99Å; S85-S88 VanDerWaalsContact O-N 3.14Å
86I65.8Low82.4Confident103 Ų10374.2 Ų74.253%0.52841%0.405SS..G310 helixtrans-56.1-27.9175.8-67175.8000112.3S88I86-S88 PolarHBondContact O-N 3.31Å; I86-S88 VanDerWaalsContact O-N 3.17Å
87M58.6Low82.2Confident178 Ų17875.4 Ų75.488%0.87741%0.411SS*.G310 helixtrans-65.4-15-179.8-60.6-17771.800114.3S85 G89S85-M87 PolarHBondContact O-N 2.99Å; S85-M87 VanDerWaalsContact O-N 3.1Å; M87-G89 PolarHBondContact O-N 2.88Å; M87-G89 VanDerWaalsContact O-N 3.16Å
88S62.3Low82.1Confident73 Ų7382.2 Ų82.251%0.5144%0.441SS..G310 helixtrans-80.911.4-171.4109.80000115.2S85 I86 R90S85-S88 PolarHBondContact O-N 2.99Å; S85-S88 VanDerWaalsContact O-N 3.14Å; I86-S88 PolarHBondContact O-N 3.31Å; I86-S88 VanDerWaalsContact O-N 3.17Å; S88-R90 PolarHBondContact O-N 3.48Å; S88-R90 VanDerWaalsContact O-N 3.08Å; S88-R90 VanDerWaalsContact OG-CD 3.25Å; S88-R90 WeakPolarHBondContact OG-CD 3.18Å; S88-R90 VanDerWaalsContact OG-CG 3.3Å; S88-R90 WeakPolarHBondContact OG-CG 3.23Å; S88-R90 PolarHBondContact OG-NE 3.15Å
89G66.6Low82Confident69 Ų6980.9 Ų80.971%0.71144%0.437SS*.SBendtrans70.2-1.7-178.400000115.6M87 R91M87-G89 PolarHBondContact O-N 2.88Å; M87-G89 VanDerWaalsContact O-N 3.16Å; G89-R91 PolarHBondContact O-N 3.17Å
90R75.4Confident81.9Confident132 Ų13282.7 Ų82.750%0.49844%0.443SS..  trans-72.3106.6174.6-69.8171.1-175.3-155.12109.1L80 S88 A115 F116L80-R90 HydrophobicContact CD2-CB 3.97Å; S88-R90 PolarHBondContact O-N 3.48Å; S88-R90 VanDerWaalsContact O-N 3.08Å; S88-R90 VanDerWaalsContact OG-CD 3.25Å; S88-R90 WeakPolarHBondContact OG-CD 3.18Å; S88-R90 VanDerWaalsContact OG-CG 3.3Å; S88-R90 WeakPolarHBondContact OG-CG 3.23Å; S88-R90 PolarHBondContact OG-NE 3.15Å; R90-A115 PolarHBondContact NH1-O 3.47Å; R90-F116 HydrophobicContact CB-CE1 4.34Å; R90-F116 HydrophobicContact CG-CE1 4.39Å
91R83.2Confident82Confident161 Ų16185 Ų8561%0.60846%0.459SS*.  trans-110.2148.2176.777.9-178.2-154.9-163.27.6111.9G89 D97G89-R91 PolarHBondContact O-N 3.17Å; R91-D97 IonicContact NH2-OD1 2.74Å; R91-D97 PolarHBondContact NH2-OD1 3.4Å; R91-D97 IonicContact NH2-OD2 2.62Å
92K91.7Very high82.4Confident51 Ų5183.2 Ų83.222%0.22245%0.45CS..PPolyproline II helixtrans-66.3150.7165.3-171.6165.6-173.6163.50110.4A12 D13 E77 F106A12-K92 WeakPolarHBondContact O-CE 3.41Å; A12-K92 PolarHBondContact O-NZ 3.48Å; D13-K92 WeakPolarHBondContact O-CE 3.31Å; D13-K92 VanDerWaalsContact O-CG 3.29Å; D13-K92 WeakPolarHBondContact O-CG 3.25Å; E77-K92 WeakPolarHBondContact OE1-CE 3.45Å; E77-K92 IonicContact OE1-NZ 2.71Å; E77-K92 PolarHBondContact OE1-NZ 3.12Å; E77-K92 IonicContact OE2-NZ 3.71Å; E77-K92 PolarHBondContact OE2-NZ 2.67Å; K92-F106 HydrophobicContact CB-CE2 4.27Å; K92-F106 HydrophobicContact CB-CZ 4.19Å; K92-F106 HydrophobicContact CD-CZ 4.46Å; K92-F106 HydrophobicContact CG-CE1 4.02Å; K92-F106 HydrophobicContact CG-CE2 4.3Å; K92-F106 HydrophobicContact CG-CZ 3.77Å
93A93.3Very high83Confident7 Ų780.2 Ų80.26%0.05843%0.434CS..PPolyproline II helixtrans-68.5148.8172.900000111C14 K103 F106C14-A93 CarbonylContact C-O 3.48Å; C14-A93 WeakPolarHBondContact CA-O 3.44Å; C14-A93 HydrophobicContact CB-CB 4.35Å; A93-K103 HydrophobicContact CB-CG 3.91Å; A93-F106 HydrophobicContact CB-CB 4.25Å; A93-F106 HydrophobicContact CB-CD1 4.29Å; A93-F106 HydrophobicContact CB-CG 4.31Å
94N93.6Very high83.9Confident74 Ų7475.2 Ų75.240%0.39640%0.401SS..PPolyproline II helixtrans-95162.1176.1-59.6-83.5000111C14 Q96 D97 K103C14-N94 CarbonylContact O-C 3.59Å; C14-N94 VanDerWaalsContact O-C 3.31Å; N94-Q96 PolarHBondContact O-N 2.84Å; N94-D97 HydrophobicContact CB-CB 4.45Å; N94-D97 WeakPolarHBondContact CB-OD2 3.37Å; N94-D97 PolarHBondContact N-OD2 3Å; N94-D97 PolarHBondContact ND2-OD2 3.1Å; N94-D97 PolarHBondContact O-N 2.64Å; N94-D97 VanDerWaalsContact O-N 3.16Å; N94-K103 VanDerWaalsContact O-CE 3.25Å; N94-K103 WeakPolarHBondContact O-CE 3.2Å
95P94Very high84.8Confident41 Ų4175.6 Ų75.627%0.26639%0.393SS..THydrogen-bonded Turntrans-59.8-31.9177.2-2131.3000112.6C14 K103C14-P95 WeakPolarHBondContact O-CD 3.48Å; C14-P95 WeakPolarHBondContact O-CG 3.34Å; C14-P95 VanDerWaalsContact O-N 3.11Å; P95-K103 PolarHBondContact O-NZ 3.48Å
96Q92.9Very high86.1Confident164 Ų16474.8 Ų74.877%0.76639%0.386SS*.THydrogen-bonded Turntrans-94-3.3-179.1-58.777.611.600114.2N94N94-Q96 PolarHBondContact O-N 2.84Å
97D92.8Very high87.6Confident27 Ų2769.9 Ų69.914%0.14436%0.361CS..SBendtrans-66.3145.4173.2-82.1-35.5000109.7R91 N94 N102 K103R91-D97 IonicContact NH2-OD1 2.74Å; R91-D97 PolarHBondContact NH2-OD1 3.4Å; R91-D97 IonicContact NH2-OD2 2.62Å; N94-D97 HydrophobicContact CB-CB 4.45Å; N94-D97 WeakPolarHBondContact CB-OD2 3.37Å; N94-D97 PolarHBondContact N-OD2 3Å; N94-D97 PolarHBondContact ND2-OD2 3.1Å; N94-D97 PolarHBondContact O-N 2.64Å; N94-D97 VanDerWaalsContact O-N 3.16Å; D97-N102 HydrophobicContact CB-CB 3.92Å; D97-K103 HydrophobicContact CB-CG 4.49Å; D97-K103 WeakPolarHBondContact O-CD 3.27Å; D97-K103 WeakPolarHBondContact O-CE 3.49Å; D97-K103 PolarHBondContact O-NZ 2.83Å
98K91.1Very high89.4Confident153 Ų15365.2 Ų65.267%0.66533%0.333SS*.  trans-63.8146.8-179.7-65.8-175.3178.3-1770111.7H100 K103K98-H100 VanDerWaalsContact C-N 3.29Å; K98-H100 WeakPolarHBondContact CB-O 3.4Å; K98-H100 PolarHBondContact O-N 2.91Å; K98-K103 PolarHBondContact O-N 3.44Å
99V91.1Very high91.1Very high32 Ų3262.5 Ų62.519%0.19432%0.316CS..Iπ-helixtrans-51.1-51.4172.6-173.90000110.4E33 V37 K103 A104E33-V99 HydrophobicContact CB-CG2 4.04Å; E33-V99 HydrophobicContact CG-CG2 3.79Å; E33-V99 WeakPolarHBondContact OE2-CG2 3.47Å; V37-V99 HydrophobicContact CG2-CG1 4.1Å; V99-K103 PolarHBondContact O-N 3.49Å; V99-A104 WeakPolarHBondContact O-CB 3.31Å; V99-A104 PolarHBondContact O-N 3.48Å
100H89.8Confident92.5Very high62 Ų6259.2 Ų59.229%0.28728%0.282SS..Iπ-helixtrans-118.4137.9174.6-59.5-76.9000111K98 A104 T311K98-H100 VanDerWaalsContact C-N 3.29Å; K98-H100 WeakPolarHBondContact CB-O 3.4Å; K98-H100 PolarHBondContact O-N 2.91Å; H100-A104 WeakPolarHBondContact ND1-CB 3.26Å; H100-T311 PolarHBondContact CD2-OG1 3.4Å; H100-T311 PolarHBondContact NE2-OG1 3.1Å
101P91.6Very high93.6Very high75 Ų7553.1 Ų53.149%0.48726%0.259SS..Iπ-helixcis-76.3-24-9.330.8-33.8000113.3K103 A104 D105P101-K103 PolarHBondContact O-N 3.32Å; P101-A104 PolarHBondContact O-N 2.91Å; P101-D105 WeakPolarHBondContact CB-OD2 3.26Å; P101-D105 PolarHBondContact O-N 3.44Å
102N93.3Very high94.2Very high69 Ų6949.8 Ų49.837%0.36925%0.25SS..Iπ-helixtrans-60.8-54.2-155.2-56.292.9000115.6D97 F106D97-N102 HydrophobicContact CB-CB 3.92Å; N102-F106 PolarHBondContact O-N 3.1Å
103K95Very high94.3Very high2 Ų253.7 Ų53.71%0.00927%0.271CS..Iπ-helixtrans-68.4-40.7177.7-72168171.2148.70110.9C14 E33 A93 N94 P95 D97 K98 V99 P101 F106 I107C14-K103 HydrophobicContact CB-CD 4.35Å; C14-K103 HydrophobicContact CB-CG 4.35Å; E33-K103 HydrophobicContact CB-CD 4.43Å; E33-K103 VanDerWaalsContact CD-NZ 3.34Å; E33-K103 IonicContact OE1-NZ 3.23Å; E33-K103 PolarHBondContact OE1-NZ 3.11Å; E33-K103 IonicContact OE2-NZ 2.77Å; E33-K103 PolarHBondContact OE2-NZ 3.38Å; A93-K103 HydrophobicContact CB-CG 3.91Å; N94-K103 VanDerWaalsContact O-CE 3.25Å; N94-K103 WeakPolarHBondContact O-CE 3.2Å; P95-K103 PolarHBondContact O-NZ 3.48Å; D97-K103 HydrophobicContact CB-CG 4.49Å; D97-K103 WeakPolarHBondContact O-CD 3.27Å; D97-K103 WeakPolarHBondContact O-CE 3.49Å; D97-K103 PolarHBondContact O-NZ 2.83Å; K98-K103 PolarHBondContact O-N 3.44Å; V99-K103 PolarHBondContact O-N 3.49Å; P101-K103 PolarHBondContact O-N 3.32Å; K103-F106 PolarHBondContact O-N 3.04Å; K103-I107 WeakPolarHBondContact O-CB 3.38Å; K103-I107 WeakPolarHBondContact O-CD1 3.42Å; K103-I107 VanDerWaalsContact O-CG1 3.24Å; K103-I107 WeakPolarHBondContact O-CG1 3.45Å; K103-I107 PolarHBondContact O-N 3.45Å
104A94.9Very high94.4Very high0 Ų054.7 Ų54.70%028%0.275CS..Hα-helixtrans-62-45.5-177.900000113.3V37 V99 H100 P101 I107 R108V37-A104 HydrophobicContact CG1-CB 4.07Å; V37-A104 HydrophobicContact CG2-CB 3.85Å; V99-A104 WeakPolarHBondContact O-CB 3.31Å; V99-A104 PolarHBondContact O-N 3.48Å; H100-A104 WeakPolarHBondContact ND1-CB 3.26Å; P101-A104 PolarHBondContact O-N 2.91Å; A104-I107 PolarHBondContact O-N 3.21Å; A104-R108 WeakPolarHBondContact O-CG 3.18Å; A104-R108 PolarHBondContact O-N 2.91Å
105D95.1Very high94.4Very high82 Ų8252.8 Ų52.844%0.43927%0.27SS..Hα-helixtrans-72.5-34.8-179.3-67.2-15.2000111.8P101 R108 A109P101-D105 WeakPolarHBondContact CB-OD2 3.26Å; P101-D105 PolarHBondContact O-N 3.44Å; D105-R108 IonicContact OD1-CZ 2.69Å; D105-R108 IonicContact OD1-NH1 3.29Å; D105-R108 PolarHBondContact OD1-NH1 2.82Å; D105-A109 VanDerWaalsContact O-CB 3.24Å; D105-A109 WeakPolarHBondContact O-CB 3.42Å; D105-A109 PolarHBondContact O-N 3.43Å
106F96.3Very high94.4Very high15 Ų1551.4 Ų51.47%0.06626%0.26CS..Hα-helixtrans-61.3-45.5170.6178.5-100.6000112D13 L80 K92 A93 N102 K103 A109 K110 F116D13-F106 HydrophobicContact CB-CD1 4.38Å; D13-F106 HydrophobicContact CB-CE1 4.25Å; D13-F106 VanDerWaalsContact O-CE1 3.28Å; D13-F106 WeakPolarHBondContact O-CE1 3.36Å; L80-F106 HydrophobicContact CD1-CE2 3.74Å; L80-F106 HydrophobicContact CD1-CZ 3.99Å; K92-F106 HydrophobicContact CB-CE2 4.27Å; K92-F106 HydrophobicContact CB-CZ 4.19Å; K92-F106 HydrophobicContact CD-CZ 4.46Å; K92-F106 HydrophobicContact CG-CE1 4.02Å; K92-F106 HydrophobicContact CG-CE2 4.3Å; K92-F106 HydrophobicContact CG-CZ 3.77Å; A93-F106 HydrophobicContact CB-CB 4.25Å; A93-F106 HydrophobicContact CB-CD1 4.29Å; A93-F106 HydrophobicContact CB-CG 4.31Å; N102-F106 PolarHBondContact O-N 3.1Å; K103-F106 PolarHBondContact O-N 3.04Å; F106-A109 PolarHBondContact O-N 2.87Å; F106-K110 HydrophobicContact CE1-CD 3.8Å; F106-K110 HydrophobicContact CZ-CD 4.03Å; F106-K110 VanDerWaalsContact O-CB 3.24Å; F106-K110 WeakPolarHBondContact O-CB 3.46Å; F106-K110 PolarHBondContact O-N 3.06Å; F106-F116 AromaticContact CD2-CE2 3.92Å; F106-F116 HydrophobicContact CD2-CE2 3.92Å; F106-F116 HydrophobicContact CD2-CZ 4.06Å; F106-F116 HydrophobicContact CE2-CD2 4.27Å; F106-F116 AromaticContact CE2-CE2 3.5Å; F106-F116 HydrophobicContact CE2-CE2 3.5Å; F106-F116 VanDerWaalsContact CE2-CE2 3.5Å; F106-F116 AromaticContact CE2-CZ 3.89Å; F106-F116 HydrophobicContact CE2-CZ 3.89Å; F106-F116 HydrophobicContact CZ-CE2 4.16Å
107I97.6Very high94.5Very high1 Ų144.7 Ų44.71%0.00523%0.23CC..Hα-helixtrans-64.9-42.3179.8-74.5165.2000111.5D13 C34 V37 H38 L41 K103 A104 K110 Y111D13-I107 HydrophobicContact CB-CD1 4.27Å; D13-I107 HydrophobicContact CB-CG1 3.91Å; C34-I107 HydrophobicContact CB-CD1 3.75Å; V37-I107 HydrophobicContact CB-CD1 3.93Å; V37-I107 HydrophobicContact CB-CG2 4.11Å; V37-I107 HydrophobicContact CG1-CB 3.98Å; V37-I107 HydrophobicContact CG1-CD1 4.31Å; V37-I107 HydrophobicContact CG1-CG2 3.59Å; V37-I107 HydrophobicContact CG2-CD1 4.12Å; H38-I107 VanDerWaalsContact CD2-CG2 3.5Å; H38-I107 WeakPolarHBondContact CD2-CG2 3.46Å; L41-I107 HydrophobicContact CD1-CG2 4.05Å; K103-I107 WeakPolarHBondContact O-CB 3.38Å; K103-I107 WeakPolarHBondContact O-CD1 3.42Å; K103-I107 VanDerWaalsContact O-CG1 3.24Å; K103-I107 WeakPolarHBondContact O-CG1 3.45Å; K103-I107 PolarHBondContact O-N 3.45Å; A104-I107 PolarHBondContact O-N 3.21Å; I107-K110 PolarHBondContact O-N 3.5Å; I107-Y111 HydrophobicContact CG2-CD2 4.17Å; I107-Y111 WeakPolarHBondContact O-CD2 3.25Å; I107-Y111 PolarHBondContact O-N 3.23Å
108R96.9Very high94.4Very high79 Ų7948.5 Ų48.530%0.29825%0.246SC..Iπ-helixtrans-62.6-48172.6-70.3173.9-166.9129.1-3.2111.4L41 A104 D105 K110 Q112 M113L41-R108 HydrophobicContact CD2-CG 3.98Å; A104-R108 WeakPolarHBondContact O-CG 3.18Å; A104-R108 PolarHBondContact O-N 2.91Å; D105-R108 IonicContact OD1-CZ 2.69Å; D105-R108 IonicContact OD1-NH1 3.29Å; D105-R108 PolarHBondContact OD1-NH1 2.82Å; R108-K110 VanDerWaalsContact C-N 3.26Å; R108-K110 PolarHBondContact O-N 3.22Å; R108-Q112 WeakPolarHBondContact O-CA 3.4Å; R108-Q112 VanDerWaalsContact O-CB 3.32Å; R108-Q112 WeakPolarHBondContact O-CB 3.29Å; R108-Q112 PolarHBondContact O-N 3.4Å; R108-M113 PolarHBondContact O-N 2.91Å
109A96.1Very high94.4Very high17 Ų1749.1 Ų49.114%0.1424%0.244CC..Iπ-helixtrans-56.2-43.1176.300000111.3D105 F106 L114 A115 F116D105-A109 VanDerWaalsContact O-CB 3.24Å; D105-A109 WeakPolarHBondContact O-CB 3.42Å; D105-A109 PolarHBondContact O-N 3.43Å; F106-A109 PolarHBondContact O-N 2.87Å; A109-L114 PolarHBondContact O-N 2.94Å; A109-L114 VanDerWaalsContact O-N 3.16Å; A109-A115 HydrophobicContact CB-CB 4.2Å; A109-A115 VanDerWaalsContact O-CB 3.31Å; A109-A115 WeakPolarHBondContact O-CB 3.26Å; A109-A115 PolarHBondContact O-N 3.47Å; A109-F116 HydrophobicContact CB-CE2 3.95Å; A109-F116 HydrophobicContact CB-CZ 3.78Å
110K97.2Very high94.4Very high0 Ų053.1 Ų53.10%026%0.264CS..Iπ-helixtrans-68.5-51.9-178-175.9172.7173.8-176.50114.2A12 D13 N73 W76 E77 F106 I107 R108 F116A12-K110 PolarHBondContact O-NZ 3.19Å; D13-K110 WeakPolarHBondContact OD1-CD 3.48Å; D13-K110 WeakPolarHBondContact OD1-CE 3.31Å; D13-K110 IonicContact OD1-NZ 3.19Å; D13-K110 PolarHBondContact OD1-NZ 3.34Å; N73-K110 WeakPolarHBondContact OD1-CE 3.48Å; N73-K110 PolarHBondContact OD1-NZ 3.21Å; W76-K110 HydrophobicContact CB-CD 4.47Å; W76-K110 HydrophobicContact CB-CG 4.07Å; E77-K110 HydrophobicContact CG-CD 4.19Å; E77-K110 WeakPolarHBondContact OE1-CE 3.29Å; E77-K110 IonicContact OE1-NZ 3.61Å; E77-K110 PolarHBondContact OE1-NZ 2.88Å; F106-K110 HydrophobicContact CE1-CD 3.8Å; F106-K110 HydrophobicContact CZ-CD 4.03Å; F106-K110 VanDerWaalsContact O-CB 3.24Å; F106-K110 WeakPolarHBondContact O-CB 3.46Å; F106-K110 PolarHBondContact O-N 3.06Å; I107-K110 PolarHBondContact O-N 3.5Å; R108-K110 VanDerWaalsContact C-N 3.26Å; R108-K110 PolarHBondContact O-N 3.22Å; K110-F116 HydrophobicContact CB-CD2 4.05Å; K110-F116 HydrophobicContact CB-CE2 3.98Å; K110-F116 HydrophobicContact CG-CD2 4.38Å
111Y97.5Very high94.2Very high3 Ų352.9 Ų52.91%0.01227%0.268CS..Iπ-helixtrans-108.7-25.3-169.2-57.5-73.7000115.5D13 R26 H38 W76 I107D13-Y111 WeakPolarHBondContact OD1-CE2 3.49Å; D13-Y111 VanDerWaalsContact OD1-CZ 3.3Å; D13-Y111 PolarHBondContact OD1-OH 3.25Å; R26-Y111 HydrophobicContact CB-CD1 4.44Å; R26-Y111 HydrophobicContact CB-CE1 3.97Å; R26-Y111 HydrophobicContact CG-CD1 3.83Å; R26-Y111 HydrophobicContact CG-CE1 3.85Å; R26-Y111 PolarHBondContact NH2-O 3.47Å; H38-Y111 AromaticContact CE1-CD2 3.6Å; H38-Y111 AromaticContact CE1-CE2 3.26Å; H38-Y111 WeakPolarHBondContact CE1-CE2 3.48Å; H38-Y111 AromaticContact CE1-CZ 3.78Å; H38-Y111 AromaticContact NE2-CD2 3.59Å; H38-Y111 AromaticContact NE2-CE2 3.2Å; H38-Y111 WeakPolarHBondContact NE2-CE2 3.48Å; W76-Y111 HydrophobicContact CB-CE1 4.22Å; W76-Y111 AromaticContact CD1-CE1 3.89Å; W76-Y111 HydrophobicContact CD2-CD1 4.41Å; W76-Y111 HydrophobicContact CD2-CE1 4.36Å; W76-Y111 HydrophobicContact CG-CD1 4.32Å; W76-Y111 AromaticContact CG-CE1 3.9Å; W76-Y111 HydrophobicContact CG-CE1 3.9Å; I107-Y111 HydrophobicContact CG2-CD2 4.17Å; I107-Y111 WeakPolarHBondContact O-CD2 3.25Å; I107-Y111 PolarHBondContact O-N 3.23Å
112Q95.6Very high93.9Very high92 Ų9250.7 Ų50.743%0.4325%0.254SS..Iπ-helixtrans-95.7-43179.9-176.4175.725.500111.6I45 R108I45-Q112 HydrophobicContact CD1-CB 3.99Å; I45-Q112 HydrophobicContact CD1-CG 3.69Å; R108-Q112 WeakPolarHBondContact O-CA 3.4Å; R108-Q112 VanDerWaalsContact O-CB 3.32Å; R108-Q112 WeakPolarHBondContact O-CB 3.29Å; R108-Q112 PolarHBondContact O-N 3.4Å
113M94.6Very high93.3Very high133 Ų13356.7 Ų56.766%0.65527%0.272SS*.SBendtrans-92.5-11.6177.4-54.1174.265.200113.2R108 A115R108-M113 PolarHBondContact O-N 2.91Å; M113-A115 HydrophobicContact CB-CB 4.39Å; M113-A115 PolarHBondContact O-N 2.97Å; M113-A115 VanDerWaalsContact O-N 3.12Å
114L95.4Very high92Very high27 Ų2764 Ų6414%0.14131%0.311CS..  trans50.733.1-175.7-56.1177.4000113.2W76 A109 F116 V117 L120 P121W76-L114 HydrophobicContact CE3-CD2 4.32Å; W76-L114 HydrophobicContact CZ3-CD2 4.18Å; A109-L114 PolarHBondContact O-N 2.94Å; A109-L114 VanDerWaalsContact O-N 3.16Å; L114-F116 PolarHBondContact O-N 3.33Å; L114-V117 HydrophobicContact CB-CG1 4.03Å; L114-V117 HydrophobicContact CB-CG2 4.13Å; L114-V117 HydrophobicContact CD2-CG1 4.29Å; L114-V117 WeakPolarHBondContact O-CG2 3.27Å; L114-V117 PolarHBondContact O-N 3.46Å; L114-L120 HydrophobicContact CB-CD2 3.78Å; L114-P121 HydrophobicContact CD1-CG 3.74Å
115A93.9Very high90.9Very high35 Ų3570.9 Ų70.929%0.28935%0.347SS..THydrogen-bonded Turntrans-67.1-6.9-166.200000115.5R90 A109 M113R90-A115 PolarHBondContact NH1-O 3.47Å; A109-A115 HydrophobicContact CB-CB 4.2Å; A109-A115 VanDerWaalsContact O-CB 3.31Å; A109-A115 WeakPolarHBondContact O-CB 3.26Å; A109-A115 PolarHBondContact O-N 3.47Å; M113-A115 HydrophobicContact CB-CB 4.39Å; M113-A115 PolarHBondContact O-N 2.97Å; M113-A115 VanDerWaalsContact O-N 3.12Å
116F94.1Very high90.4Very high12 Ų1269.9 Ų69.95%0.05334%0.342CS..THydrogen-bonded Turntrans-125.53.9-176.6-39.8-59.8000114.3H78 S79 L80 R90 F106 A109 K110 L114H78-F116 WeakPolarHBondContact CA-O 3.4Å; H78-F116 WeakPolarHBondContact CB-O 3.45Å; H78-F116 PolarHBondContact N-O 3.01Å; S79-F116 PolarHBondContact N-O 2.94Å; S79-F116 WeakPolarHBondContact OG-CA 3.45Å; L80-F116 HydrophobicContact CD1-CB 4.41Å; L80-F116 HydrophobicContact CD1-CD1 4.21Å; L80-F116 HydrophobicContact CD1-CD2 3.95Å; L80-F116 HydrophobicContact CD1-CE2 4.25Å; L80-F116 HydrophobicContact CD1-CG 3.93Å; L80-F116 HydrophobicContact CD2-CD1 3.84Å; L80-F116 HydrophobicContact CD2-CE1 4.09Å; L80-F116 HydrophobicContact CD2-CG 4.32Å; L80-F116 HydrophobicContact CG-CB 4.2Å; L80-F116 HydrophobicContact CG-CD1 4.04Å; L80-F116 HydrophobicContact CG-CG 4.01Å; R90-F116 HydrophobicContact CB-CE1 4.34Å; R90-F116 HydrophobicContact CG-CE1 4.39Å; F106-F116 AromaticContact CD2-CE2 3.92Å; F106-F116 HydrophobicContact CD2-CE2 3.92Å; F106-F116 HydrophobicContact CD2-CZ 4.06Å; F106-F116 HydrophobicContact CE2-CD2 4.27Å; F106-F116 AromaticContact CE2-CE2 3.5Å; F106-F116 HydrophobicContact CE2-CE2 3.5Å; F106-F116 VanDerWaalsContact CE2-CE2 3.5Å; F106-F116 AromaticContact CE2-CZ 3.89Å; F106-F116 HydrophobicContact CE2-CZ 3.89Å; F106-F116 HydrophobicContact CZ-CE2 4.16Å; A109-F116 HydrophobicContact CB-CE2 3.95Å; A109-F116 HydrophobicContact CB-CZ 3.78Å; K110-F116 HydrophobicContact CB-CD2 4.05Å; K110-F116 HydrophobicContact CB-CE2 3.98Å; K110-F116 HydrophobicContact CG-CD2 4.38Å; L114-F116 PolarHBondContact O-N 3.33Å
117V94.4Very high89.7Confident23 Ų2371.9 Ų71.914%0.13936%0.358CS..SBendtrans-73.6158.9178-53.50000111.3W76 L114 R119 L120W76-V117 HydrophobicContact CE3-CG1 4.16Å; L114-V117 HydrophobicContact CB-CG1 4.03Å; L114-V117 HydrophobicContact CB-CG2 4.13Å; L114-V117 HydrophobicContact CD2-CG1 4.29Å; L114-V117 WeakPolarHBondContact O-CG2 3.27Å; L114-V117 PolarHBondContact O-N 3.46Å; V117-R119 VanDerWaalsContact CG2-C 3.49Å; V117-R119 WeakPolarHBondContact CG2-O 3.17Å; V117-L120 HydrophobicContact CG2-CD2 4.15Å
118H91.1Very high89.2Confident106 Ų10676.4 Ų76.449%0.49139%0.385SS..SBendtrans-64.5-39.6177.7177.253.5000113H78H78-H118 HydrophobicContact CB-CB 4.36Å; H78-H118 AromaticContact CE1-ND1 3.83Å
119R90.1Very high88.9Confident167 Ų16775.4 Ų75.463%0.6339%0.388SS*.SBendtrans-146.3140.6175.9-62.3176.8-163.8-165.20.2108.4V117 L155V117-R119 VanDerWaalsContact CG2-C 3.49Å; V117-R119 WeakPolarHBondContact CG2-O 3.17Å; R119-L155 HydrophobicContact CB-CD2 3.86Å
120L91.1Very high88.6Confident116 Ų11675.1 Ų75.161%0.60739%0.386SS*.PPolyproline II helixtrans-66.2159.7171.7-65.7174.8000110.5L114 V117L114-L120 HydrophobicContact CB-CD2 3.78Å; V117-L120 HydrophobicContact CG2-CD2 4.15Å
121P87.4Confident88.5Confident57 Ų5779.9 Ų79.937%0.3741%0.406SS..PPolyproline II helixtrans-55.9153.5170.5-19.529.6000112L114 L155L114-P121 HydrophobicContact CD1-CG 3.74Å; P121-L155 WeakPolarHBondContact CA-O 3.37Å
122C84.8Confident88.3Confident28 Ų2882.9 Ų82.919%0.18942%0.423CS..PPolyproline II helixtrans-61.2147.3165.458.80000110.4D126 T129 L155C122-D126 HydrophobicContact CB-CB 4.39Å; C122-T129 HydrophobicContact CB-CG2 3.9Å; C122-L155 PolarHBondContact N-O 2.83Å; C122-L155 PolarHBondContact SG-O 2.85Å
123R79.4Confident88.4Confident196 Ų19679.4 Ų79.474%0.7441%0.407SS*.PPolyproline II helixtrans-68.9153.6170.3-73.7-178.3166.1-168.4-5110.2D125 D126R123-D125 PolarHBondContact O-N 2.91Å; R123-D126 WeakPolarHBondContact O-CA 3.4Å; R123-D126 WeakPolarHBondContact O-CB 3.16Å; R123-D126 PolarHBondContact O-N 3.38Å
124D69.1Low88.5Confident155 Ų15573.1 Ų73.183%0.82938%0.376SS*.THydrogen-bonded Turntrans-60.6-31.2179.5-48.6-84.9000112.7D126D124-D126 VanDerWaalsContact C-N 3.28Å; D124-D126 PolarHBondContact O-N 3.17Å
125D71.2Confident88.6Confident144 Ų14475.6 Ų75.677%0.7739%0.386SS*.THydrogen-bonded Turntrans-64.6-28172.5-55.1-54.9000113R123 S127R123-D125 PolarHBondContact O-N 2.91Å; D125-S127 PolarHBondContact O-N 2.86Å
126D83.4Confident88.8Confident62 Ų6278.6 Ų78.633%0.33239%0.394SS..  trans-82.263.3179.5-171.3-1.8000111.2C122 R123 D124 V128 T129 A130C122-D126 HydrophobicContact CB-CB 4.39Å; R123-D126 WeakPolarHBondContact O-CA 3.4Å; R123-D126 WeakPolarHBondContact O-CB 3.16Å; R123-D126 PolarHBondContact O-N 3.38Å; D124-D126 VanDerWaalsContact C-N 3.28Å; D124-D126 PolarHBondContact O-N 3.17Å; D126-V128 PolarHBondContact O-N 3.4Å; D126-V128 PolarHBondContact OD1-N 3.4Å; D126-T129 VanDerWaalsContact CG-CB 3.45Å; D126-T129 PolarHBondContact O-N 2.77Å; D126-T129 WeakPolarHBondContact OD1-CB 3.34Å; D126-T129 PolarHBondContact OD1-N 3.34Å; D126-T129 PolarHBondContact OD1-OG1 2.79Å; D126-T129 WeakPolarHBondContact OD2-CB 3.22Å; D126-T129 PolarHBondContact OD2-OG1 3.31Å; D126-A130 WeakPolarHBondContact O-CB 3.27Å; D126-A130 PolarHBondContact O-N 3.34Å; D126-A130 VanDerWaalsContact O-N 3.08Å
127S82.8Confident89Confident57 Ų5778 Ų7840%0.39939%0.391SS..THydrogen-bonded Turntrans-67.3-0.9177.6820000113.7D125 K131D125-S127 PolarHBondContact O-N 2.86Å; S127-K131 WeakPolarHBondContact O-CD 3.42Å; S127-K131 VanDerWaalsContact O-CE 3.25Å; S127-K131 WeakPolarHBondContact O-CE 3.43Å; S127-K131 WeakPolarHBondContact O-CG 3.3Å; S127-K131 PolarHBondContact O-NZ 2.91Å; S127-K131 PolarHBondContact OG-NZ 3.3Å
128V86.2Confident89.2Confident95 Ų9577.6 Ų77.658%0.57639%0.388SS*.THydrogen-bonded Turntrans-88.6-57.5173.2-178.60000108.9D126 A130 K131 D132D126-V128 PolarHBondContact O-N 3.4Å; D126-V128 PolarHBondContact OD1-N 3.4Å; V128-A130 VanDerWaalsContact C-N 3.29Å; V128-A130 PolarHBondContact O-N 2.96Å; V128-K131 PolarHBondContact O-N 2.85Å; V128-K131 VanDerWaalsContact O-N 3.1Å; V128-D132 PolarHBondContact O-N 3.13Å
129T90.6Very high89.4Confident58 Ų5876 Ų7636%0.35639%0.388SS..Hα-helixtrans-58.5-42.1177-590000111.3C122 D126 K131 D132 L133C122-T129 HydrophobicContact CB-CG2 3.9Å; D126-T129 VanDerWaalsContact CG-CB 3.45Å; D126-T129 PolarHBondContact O-N 2.77Å; D126-T129 WeakPolarHBondContact OD1-CB 3.34Å; D126-T129 PolarHBondContact OD1-N 3.34Å; D126-T129 PolarHBondContact OD1-OG1 2.79Å; D126-T129 WeakPolarHBondContact OD2-CB 3.22Å; D126-T129 PolarHBondContact OD2-OG1 3.31Å; T129-K131 VanDerWaalsContact C-N 3.33Å; T129-K131 PolarHBondContact O-N 3.39Å; T129-D132 PolarHBondContact O-N 3.33Å; T129-L133 HydrophobicContact CG2-CD1 3.83Å; T129-L133 HydrophobicContact CG2-CG 4.2Å; T129-L133 WeakPolarHBondContact O-CB 3.42Å; T129-L133 VanDerWaalsContact O-CG 3.32Å; T129-L133 WeakPolarHBondContact O-CG 3.43Å; T129-L133 PolarHBondContact O-N 3.21Å
130A91.3Very high89.8Confident11 Ų1169.4 Ų69.49%0.09137%0.368CS..Hα-helixtrans-59-41.4176.600000112.7D126 V128 S134D126-A130 WeakPolarHBondContact O-CB 3.27Å; D126-A130 PolarHBondContact O-N 3.34Å; D126-A130 VanDerWaalsContact O-N 3.08Å; V128-A130 VanDerWaalsContact C-N 3.29Å; V128-A130 PolarHBondContact O-N 2.96Å; A130-S134 VanDerWaalsContact O-CB 3.31Å; A130-S134 WeakPolarHBondContact O-CB 3.5Å; A130-S134 PolarHBondContact O-N 3.46Å; A130-S134 PolarHBondContact O-OG 2.96Å
131K93.5Very high90.1Very high100 Ų10063.9 Ų63.944%0.43534%0.339SS..Hα-helixtrans-68.2-42.1177.4-74173.7-163.8119.20111.6S127 V128 T129 S134 K135 F161S127-K131 WeakPolarHBondContact O-CD 3.42Å; S127-K131 VanDerWaalsContact O-CE 3.25Å; S127-K131 WeakPolarHBondContact O-CE 3.43Å; S127-K131 WeakPolarHBondContact O-CG 3.3Å; S127-K131 PolarHBondContact O-NZ 2.91Å; S127-K131 PolarHBondContact OG-NZ 3.3Å; V128-K131 PolarHBondContact O-N 2.85Å; V128-K131 VanDerWaalsContact O-N 3.1Å; T129-K131 VanDerWaalsContact C-N 3.33Å; T129-K131 PolarHBondContact O-N 3.39Å; K131-S134 PolarHBondContact O-N 3.07Å; K131-K135 WeakPolarHBondContact O-CG 3.4Å; K131-K135 PolarHBondContact O-N 2.94Å; K131-F161 HydrophobicContact CG-CE2 4.37Å
132D95.2Very high90.6Very high66 Ų6669 Ų6935%0.35335%0.351SS..Hα-helixtrans-74.4-32.4-178-72.2-22.1000113.1V128 T129 S134 K135 Q136V128-D132 PolarHBondContact O-N 3.13Å; T129-D132 PolarHBondContact O-N 3.33Å; D132-S134 VanDerWaalsContact C-N 3.31Å; D132-K135 WeakPolarHBondContact OD1-CD 3.45Å; D132-K135 WeakPolarHBondContact OD1-CE 3.48Å; D132-K135 IonicContact OD1-NZ 3.94Å; D132-K135 PolarHBondContact OD1-NZ 3.13Å; D132-Q136 WeakPolarHBondContact O-CG 3.35Å; D132-Q136 PolarHBondContact O-N 3.39Å; D132-Q136 VanDerWaalsContact O-N 3.15Å; D132-Q136 PolarHBondContact O-NE2 2.84Å
133L96.6Very high91.1Very high20 Ų2070.8 Ų70.811%0.10536%0.361CS..Hα-helixtrans-63.8-37.1165.9-71.3171.2000111.6T129 Q136 L137 L152 L155 A157T129-L133 HydrophobicContact CG2-CD1 3.83Å; T129-L133 HydrophobicContact CG2-CG 4.2Å; T129-L133 WeakPolarHBondContact O-CB 3.42Å; T129-L133 VanDerWaalsContact O-CG 3.32Å; T129-L133 WeakPolarHBondContact O-CG 3.43Å; T129-L133 PolarHBondContact O-N 3.21Å; L133-Q136 WeakPolarHBondContact O-CB 3.47Å; L133-Q136 PolarHBondContact O-N 2.74Å; L133-L137 PolarHBondContact O-N 3.49Å; L133-L152 HydrophobicContact CD2-CD2 3.86Å; L133-L155 HydrophobicContact CD1-CB 3.79Å; L133-L155 VanDerWaalsContact CD1-O 3.28Å; L133-L155 WeakPolarHBondContact CD1-O 3.49Å; L133-L155 HydrophobicContact CD2-CB 4.18Å; L133-L155 HydrophobicContact CD2-CD1 4.24Å; L133-A157 HydrophobicContact CB-CB 4.01Å
134S97.3Very high91.7Very high0 Ų064 Ų640%035%0.352CS..Hα-helixtrans-72.8-34.5178.9-560000113.3A130 K131 D132 Q136 L137 H138 Q158A130-S134 VanDerWaalsContact O-CB 3.31Å; A130-S134 WeakPolarHBondContact O-CB 3.5Å; A130-S134 PolarHBondContact O-N 3.46Å; A130-S134 PolarHBondContact O-OG 2.96Å; K131-S134 PolarHBondContact O-N 3.07Å; D132-S134 VanDerWaalsContact C-N 3.31Å; S134-Q136 VanDerWaalsContact C-N 3.34Å; S134-L137 PolarHBondContact O-N 3.14Å; S134-H138 WeakPolarHBondContact O-CB 3.4Å; S134-H138 PolarHBondContact O-N 3.29Å; S134-Q158 PolarHBondContact OG-N 2.96Å
135K97.2Very high92.9Very high79 Ų7960.2 Ų60.234%0.34333%0.332SS..Hα-helixtrans-62.6-39.7168-68.1170.9-166.6165.60112K131 D132 S139 F161K131-K135 WeakPolarHBondContact O-CG 3.4Å; K131-K135 PolarHBondContact O-N 2.94Å; D132-K135 WeakPolarHBondContact OD1-CD 3.45Å; D132-K135 WeakPolarHBondContact OD1-CE 3.48Å; D132-K135 IonicContact OD1-NZ 3.94Å; D132-K135 PolarHBondContact OD1-NZ 3.13Å; K135-S139 PolarHBondContact O-N 3.25Å; K135-S139 VanDerWaalsContact O-N 3.14Å; K135-S139 PolarHBondContact O-OG 3.3Å; K135-F161 HydrophobicContact CG-CE1 4.12Å; K135-F161 HydrophobicContact CG-CZ 4.21Å
136Q97.6Very high94.1Very high99 Ų9953.8 Ų53.846%0.46330%0.297SS..Hα-helixtrans-63.2-47.5174.1-73.9166.872.900110.6D132 L133 S134 H138 S139 S140 L152D132-Q136 WeakPolarHBondContact O-CG 3.35Å; D132-Q136 PolarHBondContact O-N 3.39Å; D132-Q136 VanDerWaalsContact O-N 3.15Å; D132-Q136 PolarHBondContact O-NE2 2.84Å; L133-Q136 WeakPolarHBondContact O-CB 3.47Å; L133-Q136 PolarHBondContact O-N 2.74Å; S134-Q136 VanDerWaalsContact C-N 3.34Å; Q136-H138 PolarHBondContact O-N 3.42Å; Q136-S139 WeakPolarHBondContact O-CB 3.17Å; Q136-S139 PolarHBondContact O-N 3.08Å; Q136-S139 VanDerWaalsContact O-N 3.11Å; Q136-S140 WeakPolarHBondContact O-CB 3.11Å; Q136-S140 PolarHBondContact O-N 2.97Å; Q136-S140 PolarHBondContact O-OG 2.82Å; Q136-L152 HydrophobicContact CB-CD1 4.04Å; Q136-L152 HydrophobicContact CB-CD2 3.89Å
137L98.3Very high94.7Very high0 Ų053.1 Ų53.10%029%0.292CS..Hα-helixtrans-58-49.1177-179.966.5000111.6L133 S134 S139 S140 V141 C149 L152 L153 A157 P170 L186L133-L137 PolarHBondContact O-N 3.49Å; S134-L137 PolarHBondContact O-N 3.14Å; L137-S139 PolarHBondContact O-N 3.37Å; L137-S140 PolarHBondContact O-N 2.95Å; L137-S140 VanDerWaalsContact O-N 3.09Å; L137-V141 HydrophobicContact CD1-CG1 3.84Å; L137-V141 HydrophobicContact CG-CG1 4.31Å; L137-V141 WeakPolarHBondContact O-CG1 3.49Å; L137-V141 WeakPolarHBondContact O-CG2 3.47Å; L137-V141 PolarHBondContact O-N 2.99Å; L137-V141 VanDerWaalsContact O-N 3.13Å; L137-C149 HydrophobicContact CD1-CB 3.84Å; L137-L152 HydrophobicContact CB-CB 4.44Å; L137-L152 HydrophobicContact CB-CD1 4.34Å; L137-L152 HydrophobicContact CD1-CB 4.37Å; L137-L153 HydrophobicContact CD1-CG 4.26Å; L137-L153 HydrophobicContact CD2-CD2 3.66Å; L137-L153 HydrophobicContact CD2-CG 4.16Å; L137-A157 HydrophobicContact CB-CB 3.98Å; L137-A157 HydrophobicContact CD2-CB 3.88Å; L137-A157 HydrophobicContact CG-CB 4.49Å; L137-P170 HydrophobicContact CD2-CG 4.42Å; L137-P170 HydrophobicContact CG-CG 4.44Å; L137-L186 HydrophobicContact CD1-CD2 4.46Å; L137-L186 HydrophobicContact CD2-CD2 4.06Å; L137-L186 HydrophobicContact CG-CD2 4.39Å
138H98.3Very high95.3Very high13 Ų1352.9 Ų52.96%0.0629%0.288CS..Hα-helixtrans-52.7-38175.5-176.5-81.9000112.8S134 Q136 H163 N168 P170S134-H138 WeakPolarHBondContact O-CB 3.4Å; S134-H138 PolarHBondContact O-N 3.29Å; Q136-H138 PolarHBondContact O-N 3.42Å; H138-H163 AromaticContact CE1-CD2 3.76Å; H138-H163 AromaticContact CG-CD2 3.86Å; H138-H163 AromaticContact ND1-CD2 3.62Å; H138-N168 PolarHBondContact CE1-OD1 3.35Å; H138-N168 PolarHBondContact NE2-O 3.47Å; H138-N168 PolarHBondContact NE2-OD1 2.9Å; H138-P170 HydrophobicContact CB-CG 4.12Å
139S97.1Very high95.8Very high73 Ų7348.4 Ų48.451%0.5126%0.261SS..Hα-helixtrans-78-36.9177-58.60000113.6K135 Q136 L137K135-S139 PolarHBondContact O-N 3.25Å; K135-S139 VanDerWaalsContact O-N 3.14Å; K135-S139 PolarHBondContact O-OG 3.3Å; Q136-S139 WeakPolarHBondContact O-CB 3.17Å; Q136-S139 PolarHBondContact O-N 3.08Å; Q136-S139 VanDerWaalsContact O-N 3.11Å; L137-S139 PolarHBondContact O-N 3.37Å
140S97.6Very high96.2Very high28 Ų2845.6 Ų45.620%0.19624%0.244CC..Hα-helixtrans-73.2-38.3-174.1-66.60000113.8Q136 L137 R142 T143Q136-S140 WeakPolarHBondContact O-CB 3.11Å; Q136-S140 PolarHBondContact O-N 2.97Å; Q136-S140 PolarHBondContact O-OG 2.82Å; L137-S140 PolarHBondContact O-N 2.95Å; L137-S140 VanDerWaalsContact O-N 3.09Å; S140-R142 PolarHBondContact O-N 2.93Å; S140-T143 PolarHBondContact O-N 3.28Å; S140-T143 PolarHBondContact O-OG1 2.93Å
141V97.9Very high96.4Very high0 Ų049.3 Ų49.30%026%0.256CS..THydrogen-bonded Turntrans-67-5.3-176-630000114.5L137 T143 C149 P170 V173 A174 Q179 Q182 L186L137-V141 HydrophobicContact CD1-CG1 3.84Å; L137-V141 HydrophobicContact CG-CG1 4.31Å; L137-V141 WeakPolarHBondContact O-CG1 3.49Å; L137-V141 WeakPolarHBondContact O-CG2 3.47Å; L137-V141 PolarHBondContact O-N 2.99Å; L137-V141 VanDerWaalsContact O-N 3.13Å; V141-T143 PolarHBondContact O-N 3.46Å; V141-C149 HydrophobicContact CG1-CB 4.32Å; V141-P170 HydrophobicContact CG2-CB 3.97Å; V141-P170 WeakPolarHBondContact CG2-O 3.29Å; V141-V173 HydrophobicContact CG2-CB 4.11Å; V141-V173 HydrophobicContact CG2-CG1 4.26Å; V141-A174 HydrophobicContact CB-CB 4.34Å; V141-A174 HydrophobicContact CG2-CB 4.4Å; V141-Q179 WeakPolarHBondContact O-CG 3.27Å; 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 4.06Å; V141-L186 HydrophobicContact CG1-CD2 4.29Å; V141-L186 HydrophobicContact CG1-CG 4.34Å; V141-L186 HydrophobicContact CG2-CD1 4.49Å
142R96.6Very high96.6Very high166 Ų16645.1 Ų45.163%0.62624%0.238SC*.THydrogen-bonded Turntrans-67.8-11.8165.6-170.7172.160.494.50.2112.9S140 V173 A177S140-R142 PolarHBondContact O-N 2.93Å; R142-V173 HydrophobicContact CB-CG1 3.89Å; R142-V173 HydrophobicContact CG-CG1 4.48Å; R142-A177 HydrophobicContact CG-CB 4.28Å
143T95Very high96.7Very high65 Ų6542.5 Ų42.540%0.39922%0.224SC..SBendtrans-123.1156.7-178.170.20000111.3S140 V141 N145 Q182S140-T143 PolarHBondContact O-N 3.28Å; S140-T143 PolarHBondContact O-OG1 2.93Å; V141-T143 PolarHBondContact O-N 3.46Å; T143-N145 PolarHBondContact O-N 3.13Å; T143-Q182 PolarHBondContact O-NE2 3.47Å
144G92.7Very high96.6Very high54 Ų5442.4 Ų42.456%0.55723%0.225SC*.SBendtrans-73.29.1-17800000116.2L146 Q179G144-L146 PolarHBondContact O-N 2.6Å; G144-Q179 VanDerWaalsContact CA-OE1 3.26Å; G144-Q179 VanDerWaalsContact N-OE1 3.09Å
145N94.6Very high96.5Very high75 Ų7544.2 Ų44.240%0.40124%0.235SC..  trans-79.987.6-178.8-168-39.4000111.2T143 E147 T148 C149 Q182T143-N145 PolarHBondContact O-N 3.13Å; N145-E147 VanDerWaalsContact C-N 3.33Å; N145-E147 PolarHBondContact OD1-N 3.29Å; N145-T148 PolarHBondContact ND2-OG1 2.86Å; N145-T148 WeakPolarHBondContact OD1-CB 3.37Å; N145-T148 PolarHBondContact OD1-N 3.21Å; N145-T148 PolarHBondContact OD1-OG1 3.43Å; N145-C149 PolarHBondContact O-N 2.81Å; N145-C149 PolarHBondContact O-SG 2.94Å; N145-C149 VanDerWaalsContact O-SG 3.37Å; N145-Q182 PolarHBondContact O-NE2 3.12Å
146L96.4Very high96.4Very high8 Ų841.6 Ų41.64%0.04223%0.23CC..Hα-helixtrans-63.4-36.6177.4-62.6173.5000112.4M63 T66 L67 G144 T148 C149 L150 L181 Q182 L185M63-L146 HydrophobicContact CG-CD1 4.35Å; M63-L146 HydrophobicContact CG-CD2 4.48Å; T66-L146 HydrophobicContact CG2-CD1 3.68Å; L67-L146 HydrophobicContact CD2-CB 3.53Å; L67-L146 HydrophobicContact CG-CB 4Å; L67-L146 HydrophobicContact CG-CD1 4.25Å; G144-L146 PolarHBondContact O-N 2.6Å; L146-T148 PolarHBondContact O-N 2.77Å; L146-C149 PolarHBondContact O-N 3.39Å; L146-C149 VanDerWaalsContact O-N 3.17Å; L146-L150 WeakPolarHBondContact O-CB 3.41Å; L146-L150 PolarHBondContact O-N 2.88Å; L146-L181 HydrophobicContact CD1-CB 3.99Å; L146-L181 HydrophobicContact CD1-CD1 4.25Å; L146-L181 HydrophobicContact CD2-CB 3.86Å; L146-L181 WeakPolarHBondContact CD2-O 3.38Å; L146-L181 HydrophobicContact CG-CB 4.4Å; L146-Q182 HydrophobicContact CD2-CG 4.17Å; L146-L185 HydrophobicContact CB-CD2 4.45Å; L146-L185 HydrophobicContact CD2-CB 4.44Å; L146-L185 HydrophobicContact CD2-CD2 4.18Å
147E95.3Very high96.3Very high48 Ų4837.2 Ų37.222%0.22421%0.211CC..Hα-helixtrans-63.6-41.5-177-164.8-122.8123.300111.6I75 N145 C149 R151I75-E147 HydrophobicContact CD1-CG 4.41Å; N145-E147 VanDerWaalsContact C-N 3.33Å; N145-E147 PolarHBondContact OD1-N 3.29Å; E147-C149 VanDerWaalsContact C-N 3.34Å; E147-C149 PolarHBondContact O-N 2.81Å; E147-R151 WeakPolarHBondContact O-CB 3.38Å; E147-R151 PolarHBondContact O-N 3.39Å; E147-R151 IonicContact OE1-CZ 2.76Å; E147-R151 IonicContact OE1-NE 3.38Å; E147-R151 PolarHBondContact OE1-NE 3.35Å; E147-R151 IonicContact OE1-NH2 3.71Å; E147-R151 PolarHBondContact OE1-NH2 2.9Å
148T95.8Very high96.2Very high52 Ų5242.6 Ų42.632%0.31924%0.236SC..Hα-helixtrans-62.2-41.4174-60.80000111.5N145 L146 R151 L152N145-T148 PolarHBondContact ND2-OG1 2.86Å; N145-T148 WeakPolarHBondContact OD1-CB 3.37Å; N145-T148 PolarHBondContact OD1-N 3.21Å; N145-T148 PolarHBondContact OD1-OG1 3.43Å; L146-T148 PolarHBondContact O-N 2.77Å; T148-R151 PolarHBondContact O-N 2.93Å; T148-L152 HydrophobicContact CG2-CD1 4.2Å; T148-L152 WeakPolarHBondContact O-CG 3.32Å; T148-L152 PolarHBondContact O-N 3.35Å
149C97.6Very high96.2Very high1 Ų142.3 Ų42.31%0.00724%0.236CC..Hα-helixtrans-73.1-41.9-178.4-60.50000111.4L137 V141 N145 L146 E147 R151 L152 L153 Q182 L185L137-C149 HydrophobicContact CD1-CB 3.84Å; V141-C149 HydrophobicContact CG1-CB 4.32Å; N145-C149 PolarHBondContact O-N 2.81Å; N145-C149 PolarHBondContact O-SG 2.94Å; N145-C149 VanDerWaalsContact O-SG 3.37Å; L146-C149 PolarHBondContact O-N 3.39Å; L146-C149 VanDerWaalsContact O-N 3.17Å; E147-C149 VanDerWaalsContact C-N 3.34Å; E147-C149 PolarHBondContact O-N 2.81Å; C149-R151 VanDerWaalsContact C-N 3.31Å; C149-R151 PolarHBondContact O-N 3.49Å; C149-L152 PolarHBondContact O-N 3.03Å; C149-L153 WeakPolarHBondContact O-CB 3.3Å; C149-L153 WeakPolarHBondContact O-CD1 3.4Å; C149-L153 VanDerWaalsContact O-CG 3.23Å; C149-L153 WeakPolarHBondContact O-CG 3.5Å; C149-L153 PolarHBondContact O-N 2.76Å; C149-Q182 PolarHBondContact SG-NE2 3.49Å; C149-Q182 PolarHBondContact SG-OE1 3.21Å; C149-L185 HydrophobicContact CB-CD2 4.05Å
150L97.8Very high96.1Very high0 Ų041.7 Ų41.70%023%0.227CC..Hα-helixtrans-60.2-40.4171-178.465.5000111.5L67 A72 I75 W76 L146 L153 S154 L185 Y189L67-L150 HydrophobicContact CD1-CD2 4.17Å; L67-L150 HydrophobicContact CD2-CB 3.97Å; L67-L150 HydrophobicContact CD2-CD2 3.77Å; L67-L150 HydrophobicContact CD2-CG 4.47Å; A72-L150 HydrophobicContact CB-CD2 3.65Å; I75-L150 HydrophobicContact CD1-CB 4.15Å; I75-L150 HydrophobicContact CD1-CD2 3.84Å; I75-L150 HydrophobicContact CD1-CG 3.87Å; W76-L150 HydrophobicContact CZ2-CD1 4.23Å; W76-L150 HydrophobicContact CZ2-CD2 4.45Å; W76-L150 HydrophobicContact CZ2-CG 4.42Å; L146-L150 WeakPolarHBondContact O-CB 3.41Å; L146-L150 PolarHBondContact O-N 2.88Å; L150-L153 PolarHBondContact O-N 3.33Å; L150-S154 WeakPolarHBondContact O-CB 3.44Å; L150-S154 PolarHBondContact O-N 3.43Å; L150-S154 PolarHBondContact O-OG 3.39Å; L150-L185 HydrophobicContact CB-CD2 4.29Å; L150-L185 HydrophobicContact CD1-CD1 4.23Å; L150-Y189 HydrophobicContact CD1-CE2 3.93Å; L150-Y189 WeakPolarHBondContact CD1-OH 3.44Å
151R96.6Very high96.1Very high88 Ų8841.2 Ų41.233%0.33222%0.221SC..Hα-helixtrans-63.5-44.3176.8-169.7-177-70.1-120.73.6111.3I75 E147 T148 C149 S154 L155I75-R151 HydrophobicContact CD1-CB 3.93Å; I75-R151 HydrophobicContact CG1-CB 4.37Å; E147-R151 WeakPolarHBondContact O-CB 3.38Å; E147-R151 PolarHBondContact O-N 3.39Å; E147-R151 IonicContact OE1-CZ 2.76Å; E147-R151 IonicContact OE1-NE 3.38Å; E147-R151 PolarHBondContact OE1-NE 3.35Å; E147-R151 IonicContact OE1-NH2 3.71Å; E147-R151 PolarHBondContact OE1-NH2 2.9Å; T148-R151 PolarHBondContact O-N 2.93Å; C149-R151 VanDerWaalsContact C-N 3.31Å; C149-R151 PolarHBondContact O-N 3.49Å; R151-S154 WeakPolarHBondContact CA-OG 3.47Å; R151-S154 PolarHBondContact O-N 3.35Å; R151-S154 PolarHBondContact O-OG 3.4Å; R151-L155 WeakPolarHBondContact O-CG 3.49Å; R151-L155 PolarHBondContact O-N 2.96Å
152L97.1Very high96.1Very high13 Ų1345.3 Ų45.37%0.06824%0.239CC..Hα-helixtrans-63.9-44.5175-72.2165.7000112.3L133 Q136 L137 T148 C149 S154 L155 G156 A157L133-L152 HydrophobicContact CD2-CD2 3.86Å; Q136-L152 HydrophobicContact CB-CD1 4.04Å; Q136-L152 HydrophobicContact CB-CD2 3.89Å; L137-L152 HydrophobicContact CB-CB 4.44Å; L137-L152 HydrophobicContact CB-CD1 4.34Å; L137-L152 HydrophobicContact CD1-CB 4.37Å; T148-L152 HydrophobicContact CG2-CD1 4.2Å; T148-L152 WeakPolarHBondContact O-CG 3.32Å; T148-L152 PolarHBondContact O-N 3.35Å; C149-L152 PolarHBondContact O-N 3.03Å; L152-S154 VanDerWaalsContact C-N 3.3Å; L152-S154 PolarHBondContact O-N 2.83Å; L152-L155 PolarHBondContact O-N 3.43Å; L152-L155 VanDerWaalsContact O-N 3.1Å; L152-G156 PolarHBondContact O-N 3.36Å; L152-A157 HydrophobicContact CB-CB 4.07Å; L152-A157 VanDerWaalsContact O-CB 3.22Å; L152-A157 WeakPolarHBondContact O-CB 3.4Å; L152-A157 PolarHBondContact O-N 2.85Å; L152-A157 VanDerWaalsContact O-N 3.07Å
153L97.1Very high96.1Very high11 Ų1138 Ų386%0.05821%0.212CC..Hα-helixtrans-59.4-40.7173.7-69.6163.5000111.4L137 C149 L150 L155 G156 A159 L185 Y189L137-L153 HydrophobicContact CD1-CG 4.26Å; L137-L153 HydrophobicContact CD2-CD2 3.66Å; L137-L153 HydrophobicContact CD2-CG 4.16Å; C149-L153 WeakPolarHBondContact O-CB 3.3Å; C149-L153 WeakPolarHBondContact O-CD1 3.4Å; C149-L153 VanDerWaalsContact O-CG 3.23Å; C149-L153 WeakPolarHBondContact O-CG 3.5Å; C149-L153 PolarHBondContact O-N 2.76Å; L150-L153 PolarHBondContact O-N 3.33Å; L153-L155 PolarHBondContact O-N 2.95Å; L153-G156 PolarHBondContact O-N 2.77Å; L153-G156 VanDerWaalsContact O-N 3.17Å; L153-A159 HydrophobicContact CD2-CB 3.95Å; L153-L185 HydrophobicContact CD1-CD1 4.15Å; L153-L185 HydrophobicContact CD1-CD2 4.33Å; L153-L185 HydrophobicContact CD1-CG 3.95Å; L153-Y189 HydrophobicContact CB-CD1 4Å; L153-Y189 HydrophobicContact CB-CE1 3.76Å; L153-Y189 HydrophobicContact CB-CG 4.46Å; L153-Y189 HydrophobicContact CD1-CD1 4.3Å; L153-Y189 HydrophobicContact CD1-CD2 3.83Å; L153-Y189 HydrophobicContact CD1-CE2 4.11Å; L153-Y189 HydrophobicContact CD1-CG 3.91Å; L153-Y189 HydrophobicContact CD2-CD1 3.94Å; L153-Y189 HydrophobicContact CD2-CG 4.03Å; L153-Y189 HydrophobicContact CG-CD1 4.3Å; L153-Y189 HydrophobicContact CG-CG 4.36Å
154S95.4Very high96.1Very high18 Ų1839.9 Ų39.913%0.12623%0.225CC..Hα-helixtrans-67.2-14.7176.678.10000114.7I75 L150 R151 L152I75-S154 WeakPolarHBondContact CG2-OG 3.36Å; L150-S154 WeakPolarHBondContact O-CB 3.44Å; L150-S154 PolarHBondContact O-N 3.43Å; L150-S154 PolarHBondContact O-OG 3.39Å; R151-S154 WeakPolarHBondContact CA-OG 3.47Å; R151-S154 PolarHBondContact O-N 3.35Å; R151-S154 PolarHBondContact O-OG 3.4Å; L152-S154 VanDerWaalsContact C-N 3.3Å; L152-S154 PolarHBondContact O-N 2.83Å
155L95Very high96.2Very high37 Ų3744.1 Ų44.119%0.19423%0.231CC..THydrogen-bonded Turntrans-97.4-4.6176.3-67.6169.5000113.2R119 P121 C122 L133 R151 L152 L153R119-L155 HydrophobicContact CB-CD2 3.86Å; P121-L155 WeakPolarHBondContact CA-O 3.37Å; C122-L155 PolarHBondContact N-O 2.83Å; C122-L155 PolarHBondContact SG-O 2.85Å; L133-L155 HydrophobicContact CD1-CB 3.79Å; L133-L155 VanDerWaalsContact CD1-O 3.28Å; L133-L155 WeakPolarHBondContact CD1-O 3.49Å; L133-L155 HydrophobicContact CD2-CB 4.18Å; L133-L155 HydrophobicContact CD2-CD1 4.24Å; R151-L155 WeakPolarHBondContact O-CG 3.49Å; R151-L155 PolarHBondContact O-N 2.96Å; L152-L155 PolarHBondContact O-N 3.43Å; L152-L155 VanDerWaalsContact O-N 3.1Å; L153-L155 PolarHBondContact O-N 2.95Å
156G93.9Very high96.3Very high24 Ų2446.4 Ų46.425%0.24724%0.237CC..THydrogen-bonded Turntrans106.314.3-178.900000115.5L152 L153L152-G156 PolarHBondContact O-N 3.36Å; L153-G156 PolarHBondContact O-N 2.77Å; L153-G156 VanDerWaalsContact O-N 3.17Å
157A96.4Very high96.3Very high8 Ų846.3 Ų46.37%0.06624%0.238CC..  trans-63.8135.916800000110.9L133 L137 L152L133-A157 HydrophobicContact CB-CB 4.01Å; L137-A157 HydrophobicContact CB-CB 3.98Å; L137-A157 HydrophobicContact CD2-CB 3.88Å; L137-A157 HydrophobicContact CG-CB 4.49Å; L152-A157 HydrophobicContact CB-CB 4.07Å; L152-A157 VanDerWaalsContact O-CB 3.22Å; L152-A157 WeakPolarHBondContact O-CB 3.4Å; L152-A157 PolarHBondContact O-N 2.85Å; L152-A157 VanDerWaalsContact O-N 3.07Å
158Q95.9Very high96.4Very high113 Ų11345.2 Ų45.253%0.52823%0.234SC..  trans-90.2119.8-178.2-66.3176-12.700110.7S134 N160 F161S134-Q158 PolarHBondContact OG-N 2.96Å; Q158-N160 VanDerWaalsContact C-N 3.32Å; Q158-N160 PolarHBondContact O-N 2.8Å; Q158-F161 HydrophobicContact CB-CB 4.12Å; Q158-F161 WeakPolarHBondContact O-CB 3.49Å; Q158-F161 PolarHBondContact O-N 3.29Å; Q158-F161 VanDerWaalsContact O-N 3.14Å
159A97.4Very high96.5Very high6 Ų642.8 Ų42.85%0.0522%0.219CC..THydrogen-bonded Turntrans-63.1-35.5-177.400000113.2L153 L186 Y189 A191L153-A159 HydrophobicContact CD2-CB 3.95Å; A159-L186 HydrophobicContact CB-CD2 3.99Å; A159-Y189 WeakPolarHBondContact CB-O 3.24Å; A159-A191 HydrophobicContact CB-CB 4.06Å
160N96.1Very high96.6Very high61 Ų6142.7 Ų42.733%0.32622%0.218SC..THydrogen-bonded Turntrans-94.922.3176-146.924.8000114Q158 F162 D192Q158-N160 VanDerWaalsContact C-N 3.32Å; Q158-N160 PolarHBondContact O-N 2.8Å; N160-F162 PolarHBondContact O-N 2.9Å; N160-D192 PolarHBondContact OD1-N 3.33Å
161F97.2Very high96.6Very high17 Ų1742.7 Ų42.78%0.07522%0.218CC..  trans-56.9125.4178.7172.7-111.9000112.2K131 K135 Q158 H163 T169 P170K131-F161 HydrophobicContact CG-CE2 4.37Å; K135-F161 HydrophobicContact CG-CE1 4.12Å; K135-F161 HydrophobicContact CG-CZ 4.21Å; Q158-F161 HydrophobicContact CB-CB 4.12Å; Q158-F161 WeakPolarHBondContact O-CB 3.49Å; Q158-F161 PolarHBondContact O-N 3.29Å; Q158-F161 VanDerWaalsContact O-N 3.14Å; F161-H163 HydrophobicContact CD1-CB 4.34Å; F161-H163 HydrophobicContact CE1-CB 3.86Å; F161-T169 VanDerWaalsContact O-CA 3.25Å; F161-T169 WeakPolarHBondContact O-CA 3.24Å; F161-T169 WeakPolarHBondContact O-CB 3.39Å; F161-P170 WeakPolarHBondContact O-CD 3.42Å
162F97.4Very high96.7Very high87 Ų8738.6 Ų38.638%0.38220%0.203SC..  trans-90.6111.4173.4-165.5-86.1000110.4N160 P164 G167 T169N160-F162 PolarHBondContact O-N 2.9Å; F162-P164 VanDerWaalsContact O-CD 3.27Å; F162-P164 WeakPolarHBondContact O-CD 3.35Å; F162-G167 WeakPolarHBondContact CE2-O 3.31Å; F162-G167 WeakPolarHBondContact CZ-O 3.26Å; F162-T169 HydrophobicContact CD2-CG2 4.05Å
163H97.2Very high96.8Very high12 Ų1239.1 Ų39.16%0.05621%0.207CC..BIsolated β-bridgetrans-76.2115-175-171.5-38.6000111.4H138 F161 E165 K166 G167 N168H138-H163 AromaticContact CE1-CD2 3.76Å; H138-H163 AromaticContact CG-CD2 3.86Å; H138-H163 AromaticContact ND1-CD2 3.62Å; F161-H163 HydrophobicContact CD1-CB 4.34Å; F161-H163 HydrophobicContact CE1-CB 3.86Å; H163-E165 IonicContact CE1-OE2 2.67Å; H163-E165 PolarHBondContact ND1-N 3.36Å; H163-E165 PolarHBondContact O-N 3.29Å; H163-K166 HydrophobicContact CB-CB 4.17Å; H163-K166 PolarHBondContact O-N 3.42Å; H163-K166 VanDerWaalsContact O-N 3.15Å; H163-G167 PolarHBondContact O-N 3.24Å; H163-N168 WeakPolarHBondContact CB-O 3.49Å; H163-N168 PolarHBondContact N-O 3.35Å
164P94.9Very high96.9Very high104 Ų10438.6 Ų38.668%0.67520%0.204SC*.THydrogen-bonded Turntrans-58.2-47-170.7-27.336.2000114.3F162 K166F162-P164 VanDerWaalsContact O-CD 3.27Å; F162-P164 WeakPolarHBondContact O-CD 3.35Å; P164-K166 PolarHBondContact O-N 3.37Å
165E95.1Very high97Very high144 Ų14437.8 Ų37.867%0.67320%0.198SC*.THydrogen-bonded Turntrans-75.8-18-179.3-56.7165.4-152.500115.5H163H163-E165 IonicContact CE1-OE2 2.67Å; H163-E165 PolarHBondContact ND1-N 3.36Å; H163-E165 PolarHBondContact O-N 3.29Å
166K95.6Very high97.1Very high122 Ų12242.6 Ų42.653%0.5322%0.217SC..THydrogen-bonded Turntrans-109-11.8-176.2-52.7-54.2178.1-130.80112.5H163 P164 N168H163-K166 HydrophobicContact CB-CB 4.17Å; H163-K166 PolarHBondContact O-N 3.42Å; H163-K166 VanDerWaalsContact O-N 3.15Å; P164-K166 PolarHBondContact O-N 3.37Å; K166-N168 VanDerWaalsContact C-N 3.27Å; K166-N168 PolarHBondContact O-N 2.94Å
167G97.2Very high97.3Very high6 Ų642.9 Ų42.96%0.06222%0.217CC..THydrogen-bonded Turntrans67.718.8175.500000114.9F162 H163 D197 S198F162-G167 WeakPolarHBondContact CE2-O 3.31Å; F162-G167 WeakPolarHBondContact CZ-O 3.26Å; H163-G167 PolarHBondContact O-N 3.24Å; G167-D197 CarbonylContact O-C 3.55Å; G167-D197 VanDerWaalsContact O-CA 3.29Å; G167-D197 WeakPolarHBondContact O-CA 3.34Å; G167-D197 VanDerWaalsContact O-CB 3.27Å; G167-D197 WeakPolarHBondContact O-CB 3.36Å; G167-S198 WeakPolarHBondContact CA-OG 3.48Å; G167-S198 PolarHBondContact O-N 3.02Å; G167-S198 PolarHBondContact O-OG 3.39Å
168N98.1Very high97.4Very high26 Ų2643.3 Ų43.314%0.13922%0.223CC..BIsolated β-bridgetrans-151.7167-172.663.99.4000113.7H138 H163 K166 H172 D197H138-N168 PolarHBondContact CE1-OD1 3.35Å; H138-N168 PolarHBondContact NE2-O 3.47Å; H138-N168 PolarHBondContact NE2-OD1 2.9Å; H163-N168 WeakPolarHBondContact CB-O 3.49Å; H163-N168 PolarHBondContact N-O 3.35Å; K166-N168 VanDerWaalsContact C-N 3.27Å; K166-N168 PolarHBondContact O-N 2.94Å; N168-H172 HydrophobicContact CB-CB 3.96Å; N168-D197 HydrophobicContact CB-CB 3.81Å
169T98.4Very high97.5Very high0 Ų040.4 Ų40.40%021%0.21CC..  trans-98.9163.1-177.675.60000113.1F161 F162 L171 H172 V173 T195F161-T169 VanDerWaalsContact O-CA 3.25Å; F161-T169 WeakPolarHBondContact O-CA 3.24Å; F161-T169 WeakPolarHBondContact O-CB 3.39Å; F162-T169 HydrophobicContact CD2-CG2 4.05Å; T169-L171 PolarHBondContact O-N 3.48Å; T169-L171 VanDerWaalsContact O-N 3.14Å; T169-H172 PolarHBondContact N-ND1 3.28Å; T169-H172 WeakPolarHBondContact O-CB 3.49Å; T169-H172 PolarHBondContact O-N 2.89Å; T169-H172 PolarHBondContact OG1-ND1 2.86Å; T169-V173 PolarHBondContact O-N 3.38Å; T169-T195 HydrophobicContact CG2-CG2 3.96Å
170P98.6Very high97.6Very high0 Ų041.7 Ų41.70%022%0.215CC..Hα-helixtrans-50-36.3173.1-28.734.1000113.7L137 H138 V141 F161 H172 V173 A174 L186L137-P170 HydrophobicContact CD2-CG 4.42Å; L137-P170 HydrophobicContact CG-CG 4.44Å; H138-P170 HydrophobicContact CB-CG 4.12Å; V141-P170 HydrophobicContact CG2-CB 3.97Å; V141-P170 WeakPolarHBondContact CG2-O 3.29Å; F161-P170 WeakPolarHBondContact O-CD 3.42Å; P170-H172 VanDerWaalsContact C-N 3.33Å; P170-H172 PolarHBondContact O-N 3.14Å; P170-V173 WeakPolarHBondContact O-CB 3.36Å; P170-V173 PolarHBondContact O-N 2.68Å; P170-V173 VanDerWaalsContact O-N 3.12Å; P170-A174 PolarHBondContact O-N 3.17Å; P170-L186 HydrophobicContact CB-CD1 3.89Å; P170-L186 HydrophobicContact CB-CD2 3.9Å
171L98.6Very high97.7Very high0 Ų040.2 Ų40.20%021%0.207CC..Hα-helixtrans-66.9-32.6-179.8-16860.8000112.5T169 S175 A183 L186 A191 P193 P203 L219T169-L171 PolarHBondContact O-N 3.48Å; T169-L171 VanDerWaalsContact O-N 3.14Å; L171-S175 VanDerWaalsContact O-CB 3.24Å; L171-S175 WeakPolarHBondContact O-CB 3.45Å; L171-S175 PolarHBondContact O-N 3.06Å; L171-S175 PolarHBondContact O-OG 3Å; L171-A183 HydrophobicContact CD1-CB 3.77Å; L171-L186 HydrophobicContact CB-CD1 4.3Å; L171-L186 HydrophobicContact CD1-CB 4.2Å; L171-L186 HydrophobicContact CD1-CD1 4.13Å; L171-A191 HydrophobicContact CB-CB 4.14Å; L171-A191 HydrophobicContact CD2-CB 4.02Å; L171-P193 HydrophobicContact CD2-CB 4.34Å; L171-P193 HydrophobicContact CD2-CG 4.14Å; L171-P203 HydrophobicContact CB-CG 4.19Å; L171-P203 HydrophobicContact CD2-CB 4.29Å; L171-P203 HydrophobicContact CD2-CG 4.05Å; L171-P203 HydrophobicContact CG-CB 3.92Å; L171-P203 HydrophobicContact CG-CG 3.95Å; L171-L219 HydrophobicContact CD1-CD2 4Å; L171-L219 HydrophobicContact CD2-CD2 4.23Å; L171-L219 HydrophobicContact CG-CD2 4.28Å
172H98.6Very high97.7Very high1 Ų139.5 Ų39.51%0.00520%0.204CC..Hα-helixtrans-64.4-41.4171.3-6779.4000111.5N168 T169 P170 S175 K176 T195 D197 K201 P203 Y206N168-H172 HydrophobicContact CB-CB 3.96Å; T169-H172 PolarHBondContact N-ND1 3.28Å; T169-H172 WeakPolarHBondContact O-CB 3.49Å; T169-H172 PolarHBondContact O-N 2.89Å; T169-H172 PolarHBondContact OG1-ND1 2.86Å; P170-H172 VanDerWaalsContact C-N 3.33Å; P170-H172 PolarHBondContact O-N 3.14Å; H172-S175 PolarHBondContact O-N 3.27Å; H172-K176 VanDerWaalsContact O-CB 3.29Å; H172-K176 WeakPolarHBondContact O-CB 3.25Å; H172-K176 PolarHBondContact O-N 3.13Å; H172-T195 PolarHBondContact CE1-O 3.39Å; H172-T195 PolarHBondContact NE2-O 3.12Å; H172-D197 PolarHBondContact NE2-N 3Å; H172-K201 PolarHBondContact NE2-O 3.35Å; H172-K201 VanDerWaalsContact NE2-O 3.12Å; H172-P203 WeakPolarHBondContact NE2-CD 3.5Å; H172-Y206 AromaticContact CD2-CD2 3.8Å; H172-Y206 AromaticContact CD2-CE2 3.83Å
173V98.3Very high97.8Very high25 Ų2535.3 Ų35.315%0.15219%0.186CC..Hα-helixtrans-66.4-46.8178.9-178.60000110.9V141 R142 T169 P170 S175 K176 A177V141-V173 HydrophobicContact CG2-CB 4.11Å; V141-V173 HydrophobicContact CG2-CG1 4.26Å; R142-V173 HydrophobicContact CB-CG1 3.89Å; R142-V173 HydrophobicContact CG-CG1 4.48Å; T169-V173 PolarHBondContact O-N 3.38Å; P170-V173 WeakPolarHBondContact O-CB 3.36Å; P170-V173 PolarHBondContact O-N 2.68Å; P170-V173 VanDerWaalsContact O-N 3.12Å; V173-S175 VanDerWaalsContact C-N 3.34Å; V173-S175 PolarHBondContact O-N 3.47Å; V173-K176 PolarHBondContact O-N 2.93Å; V173-A177 VanDerWaalsContact O-CB 3.31Å; V173-A177 WeakPolarHBondContact O-CB 3.4Å; V173-A177 PolarHBondContact O-N 3.44Å; V173-A177 VanDerWaalsContact O-N 3.13Å
174A98.5Very high97.9Very high0 Ų034.9 Ų34.90%018%0.184CC..Hα-helixtrans-59.2-44.9175.500000111.6V141 P170 A177 G178 Q179 Q182 L186V141-A174 HydrophobicContact CB-CB 4.34Å; V141-A174 HydrophobicContact CG2-CB 4.4Å; P170-A174 PolarHBondContact O-N 3.17Å; A174-A177 CarbonylContact O-C 3.55Å; A174-A177 PolarHBondContact O-N 3.27Å; A174-G178 PolarHBondContact O-N 2.94Å; A174-G178 VanDerWaalsContact O-N 3.09Å; A174-Q179 HydrophobicContact CB-CB 4.36Å; A174-Q179 PolarHBondContact O-N 3.47Å; A174-Q182 HydrophobicContact CB-CB 4.14Å; A174-L186 HydrophobicContact CB-CD1 4.13Å
175S98.6Very high98Very high0 Ų030 Ų300%015%0.152CC..Hα-helixtrans-66.3-42.6-178.9-57.60000113L171 H172 V173 A177 G178 P203 H212 L219L171-S175 VanDerWaalsContact O-CB 3.24Å; L171-S175 WeakPolarHBondContact O-CB 3.45Å; L171-S175 PolarHBondContact O-N 3.06Å; L171-S175 PolarHBondContact O-OG 3Å; H172-S175 PolarHBondContact O-N 3.27Å; V173-S175 VanDerWaalsContact C-N 3.34Å; V173-S175 PolarHBondContact O-N 3.47Å; S175-A177 PolarHBondContact O-N 2.89Å; S175-G178 PolarHBondContact O-N 2.73Å; S175-P203 WeakPolarHBondContact CB-O 3.41Å; S175-P203 WeakPolarHBondContact OG-CB 3.37Å; S175-H212 PolarHBondContact O-CD2 3.46Å; S175-L219 WeakPolarHBondContact OG-CD1 3.41Å
176K97.9Very high98.2Very high138 Ų13823.2 Ų23.260%0.612%0.12SC*.Hα-helixtrans-67.9-20.5175.1-169.8175-177175.70113.2H172 V173 Y206H172-K176 VanDerWaalsContact O-CB 3.29Å; H172-K176 WeakPolarHBondContact O-CB 3.25Å; H172-K176 PolarHBondContact O-N 3.13Å; V173-K176 PolarHBondContact O-N 2.93Å; K176-Y206 HydrophobicContact CB-CD1 4.11Å; K176-Y206 HydrophobicContact CB-CG 4.3Å; K176-Y206 HydrophobicContact CD-CD1 3.77Å; K176-Y206 HydrophobicContact CD-CE1 3.94Å; K176-Y206 HydrophobicContact CG-CD1 3.95Å
177A97.6Very high98.3Very high30 Ų3018.5 Ų18.525%0.24810%0.104CC..THydrogen-bonded Turntrans-102.97178.500000113.6R142 V173 A174 S175 Q179R142-A177 HydrophobicContact CG-CB 4.28Å; V173-A177 VanDerWaalsContact O-CB 3.31Å; V173-A177 WeakPolarHBondContact O-CB 3.4Å; V173-A177 PolarHBondContact O-N 3.44Å; V173-A177 VanDerWaalsContact O-N 3.13Å; A174-A177 CarbonylContact O-C 3.55Å; A174-A177 PolarHBondContact O-N 3.27Å; S175-A177 PolarHBondContact O-N 2.89Å; A177-Q179 HydrophobicContact CB-CG 3.92Å; A177-Q179 PolarHBondContact O-N 3.32Å; A177-Q179 PolarHBondContact O-NE2 2.79Å
178G98Very high98.4Very high18 Ų1819.2 Ų19.219%0.18611%0.107CC..THydrogen-bonded Turntrans63.818.1-179.800000115A174 S175 I180 H212A174-G178 PolarHBondContact O-N 2.94Å; A174-G178 VanDerWaalsContact O-N 3.09Å; S175-G178 PolarHBondContact O-N 2.73Å; G178-I180 VanDerWaalsContact C-N 3.29Å; G178-I180 PolarHBondContact O-N 3.12Å; G178-H212 VanDerWaalsContact CA-CD2 3.46Å; G178-H212 WeakPolarHBondContact CA-CD2 3.46Å; G178-H212 PolarHBondContact N-CD2 3.35Å
179Q98.3Very high98.4Very high52 Ų5221.1 Ų21.124%0.24311%0.113CC..  trans-81.471.4-172.4-61.7-56.3-6300111.5V141 G144 A174 A177 L181 Q182 A183V141-Q179 WeakPolarHBondContact O-CG 3.27Å; G144-Q179 VanDerWaalsContact CA-OE1 3.26Å; G144-Q179 VanDerWaalsContact N-OE1 3.09Å; A174-Q179 HydrophobicContact CB-CB 4.36Å; A174-Q179 PolarHBondContact O-N 3.47Å; A177-Q179 HydrophobicContact CB-CG 3.92Å; A177-Q179 PolarHBondContact O-N 3.32Å; A177-Q179 PolarHBondContact O-NE2 2.79Å; Q179-L181 VanDerWaalsContact C-N 3.33Å; Q179-L181 PolarHBondContact O-N 3.01Å; Q179-Q182 HydrophobicContact CB-CB 3.86Å; Q179-Q182 HydrophobicContact CB-CG 3.84Å; Q179-Q182 WeakPolarHBondContact O-CA 3.31Å; Q179-Q182 WeakPolarHBondContact O-CB 3.4Å; Q179-Q182 PolarHBondContact O-N 3.16Å; Q179-A183 PolarHBondContact O-N 2.93Å
180I98.5Very high98.3Very high32 Ų3223.6 Ų23.616%0.16414%0.139CC..Hα-helixtrans-57.1-40.2-171.8-170.9154.9000114.1T59 G178 Q182 A183 E184 E214 L215T59-I180 HydrophobicContact CG2-CD1 3.58Å; T59-I180 HydrophobicContact CG2-CG1 3.89Å; G178-I180 VanDerWaalsContact C-N 3.29Å; G178-I180 PolarHBondContact O-N 3.12Å; I180-Q182 VanDerWaalsContact C-N 3.34Å; I180-Q182 PolarHBondContact O-N 3.32Å; I180-A183 WeakPolarHBondContact O-CB 3.28Å; I180-A183 PolarHBondContact O-N 2.89Å; I180-E184 WeakPolarHBondContact O-CG 3.43Å; I180-E184 PolarHBondContact O-N 3.31Å; I180-E184 VanDerWaalsContact O-N 3.08Å; I180-E214 HydrophobicContact CD1-CG 3.93Å; I180-L215 HydrophobicContact CB-CB 4.47Å; I180-L215 HydrophobicContact CB-CD1 4.25Å; I180-L215 HydrophobicContact CD1-CB 4.07Å; I180-L215 HydrophobicContact CD1-CD1 4.43Å; I180-L215 HydrophobicContact CG1-CB 4.4Å; I180-L215 HydrophobicContact CG1-CD1 3.99Å
181L98.6Very high98.3Very high31 Ų3123.8 Ų23.816%0.16214%0.14CC..Hα-helixtrans-71.6-28177.3-52-175.8000112.6T59 Q62 M63 L146 Q179 L185T59-L181 WeakPolarHBondContact O-CD2 3.48Å; Q62-L181 HydrophobicContact CB-CD2 4.12Å; Q62-L181 HydrophobicContact CG-CD1 4.22Å; Q62-L181 HydrophobicContact CG-CD2 4.08Å; M63-L181 HydrophobicContact CB-CB 4.29Å; M63-L181 HydrophobicContact CB-CD2 4.11Å; M63-L181 HydrophobicContact CG-CB 4.32Å; M63-L181 VanDerWaalsContact CG-O 3.27Å; M63-L181 WeakPolarHBondContact CG-O 3.43Å; L146-L181 HydrophobicContact CD1-CB 3.99Å; L146-L181 HydrophobicContact CD1-CD1 4.25Å; L146-L181 HydrophobicContact CD2-CB 3.86Å; L146-L181 WeakPolarHBondContact CD2-O 3.38Å; L146-L181 HydrophobicContact CG-CB 4.4Å; Q179-L181 VanDerWaalsContact C-N 3.33Å; Q179-L181 PolarHBondContact O-N 3.01Å; L181-L185 PolarHBondContact O-N 3.13Å; L181-L185 VanDerWaalsContact O-N 3.13Å
182Q98.6Very high98.2Very high1 Ų126.6 Ų26.61%0.00516%0.155CC..Hα-helixtrans-71.7-37.2172.1-65.3-72.312.700110.9V141 T143 N145 L146 C149 A174 Q179 I180 L185 L186V141-Q182 HydrophobicContact CB-CB 4.31Å; V141-Q182 HydrophobicContact CB-CG 4.47Å; T143-Q182 PolarHBondContact O-NE2 3.47Å; N145-Q182 PolarHBondContact O-NE2 3.12Å; L146-Q182 HydrophobicContact CD2-CG 4.17Å; C149-Q182 PolarHBondContact SG-NE2 3.49Å; C149-Q182 PolarHBondContact SG-OE1 3.21Å; A174-Q182 HydrophobicContact CB-CB 4.14Å; Q179-Q182 HydrophobicContact CB-CB 3.86Å; Q179-Q182 HydrophobicContact CB-CG 3.84Å; Q179-Q182 WeakPolarHBondContact O-CA 3.31Å; Q179-Q182 WeakPolarHBondContact O-CB 3.4Å; Q179-Q182 PolarHBondContact O-N 3.16Å; I180-Q182 VanDerWaalsContact C-N 3.34Å; I180-Q182 PolarHBondContact O-N 3.32Å; Q182-L185 PolarHBondContact O-N 2.98Å; Q182-L186 WeakPolarHBondContact O-CB 3.39Å; Q182-L186 VanDerWaalsContact O-CG 3.25Å; Q182-L186 WeakPolarHBondContact O-CG 3.23Å; Q182-L186 PolarHBondContact O-N 3.19Å
183A98.6Very high98.1Very high0 Ų026.8 Ų26.80%016%0.156CC..Hα-helixtrans-63.1-43175.200000112L171 Q179 I180 L186 A187 L215 L219L171-A183 HydrophobicContact CD1-CB 3.77Å; Q179-A183 PolarHBondContact O-N 2.93Å; I180-A183 WeakPolarHBondContact O-CB 3.28Å; I180-A183 PolarHBondContact O-N 2.89Å; A183-L186 PolarHBondContact O-N 2.94Å; A183-A187 VanDerWaalsContact O-CB 3.28Å; A183-A187 WeakPolarHBondContact O-CB 3.44Å; A183-A187 PolarHBondContact O-N 2.91Å; A183-L215 HydrophobicContact CB-CD1 3.66Å; A183-L219 HydrophobicContact CB-CD2 4.31Å
184E98.6Very high98Very high3 Ų326.7 Ų26.71%0.01416%0.161CC..Hα-helixtrans-60.4-45.8172.9-67.2-83.8-155.300112T59 L60 M63 I180 A187 V188 R218T59-E184 VanDerWaalsContact CB-OE1 3.24Å; T59-E184 WeakPolarHBondContact CB-OE1 3.3Å; T59-E184 PolarHBondContact OG1-OE1 2.96Å; L60-E184 HydrophobicContact CD1-CB 4.37Å; L60-E184 PolarHBondContact N-OE1 3.09Å; L60-E184 VanDerWaalsContact N-OE1 3.09Å; M63-E184 HydrophobicContact CB-CB 4.08Å; M63-E184 HydrophobicContact CE-CB 4.39Å; M63-E184 HydrophobicContact CG-CB 3.99Å; I180-E184 WeakPolarHBondContact O-CG 3.43Å; I180-E184 PolarHBondContact O-N 3.31Å; I180-E184 VanDerWaalsContact O-N 3.08Å; E184-A187 PolarHBondContact O-N 2.74Å; E184-V188 WeakPolarHBondContact O-CB 3.29Å; E184-V188 VanDerWaalsContact O-CG2 3.28Å; E184-V188 WeakPolarHBondContact O-CG2 3.19Å; E184-V188 PolarHBondContact O-N 2.55Å; E184-R218 IonicContact OE1-CZ 3.29Å; E184-R218 IonicContact OE1-NE 2.64Å; E184-R218 PolarHBondContact OE1-NE 3.04Å; E184-R218 IonicContact OE1-NH2 3.34Å; E184-R218 PolarHBondContact OE1-NH2 3.21Å; E184-R218 IonicContact OE2-CZ 3Å; E184-R218 IonicContact OE2-NE 3.67Å; E184-R218 IonicContact OE2-NH2 3.77Å; E184-R218 PolarHBondContact OE2-NH2 3.46Å
185L98.6Very high97.9Very high1 Ų128.3 Ų28.31%0.00517%0.171CC..Hα-helixtrans-63.2-43.8178.1176.356.5000112.2M63 L67 L146 C149 L150 L153 L181 Q182 V188 Y189M63-L185 HydrophobicContact CG-CB 4.22Å; M63-L185 HydrophobicContact SD-CB 4.04Å; M63-L185 HydrophobicContact SD-CD1 4.3Å; L67-L185 HydrophobicContact CD1-CD1 4.15Å; L146-L185 HydrophobicContact CB-CD2 4.45Å; L146-L185 HydrophobicContact CD2-CB 4.44Å; L146-L185 HydrophobicContact CD2-CD2 4.18Å; C149-L185 HydrophobicContact CB-CD2 4.05Å; L150-L185 HydrophobicContact CB-CD2 4.29Å; L150-L185 HydrophobicContact CD1-CD1 4.23Å; L153-L185 HydrophobicContact CD1-CD1 4.15Å; L153-L185 HydrophobicContact CD1-CD2 4.33Å; L153-L185 HydrophobicContact CD1-CG 3.95Å; L181-L185 PolarHBondContact O-N 3.13Å; L181-L185 VanDerWaalsContact O-N 3.13Å; Q182-L185 PolarHBondContact O-N 2.98Å; L185-V188 PolarHBondContact O-N 2.8Å; L185-Y189 HydrophobicContact CD1-CD2 3.96Å; L185-Y189 HydrophobicContact CD1-CE2 3.94Å; L185-Y189 WeakPolarHBondContact O-CD2 3.45Å; L185-Y189 PolarHBondContact O-N 3.49Å
186L98.7Very high97.9Very high1 Ų134.1 Ų34.11%0.00520%0.198CC..Hα-helixtrans-62.9-41.6175.6-73.9171.2000111.8L137 V141 A159 P170 L171 A174 Q182 A183 Y189 G190 A191L137-L186 HydrophobicContact CD1-CD2 4.46Å; L137-L186 HydrophobicContact CD2-CD2 4.06Å; L137-L186 HydrophobicContact CG-CD2 4.39Å; V141-L186 HydrophobicContact CB-CD1 4.37Å; V141-L186 HydrophobicContact CG1-CD1 4.06Å; V141-L186 HydrophobicContact CG1-CD2 4.29Å; V141-L186 HydrophobicContact CG1-CG 4.34Å; V141-L186 HydrophobicContact CG2-CD1 4.49Å; A159-L186 HydrophobicContact CB-CD2 3.99Å; P170-L186 HydrophobicContact CB-CD1 3.89Å; P170-L186 HydrophobicContact CB-CD2 3.9Å; L171-L186 HydrophobicContact CB-CD1 4.3Å; L171-L186 HydrophobicContact CD1-CB 4.2Å; L171-L186 HydrophobicContact CD1-CD1 4.13Å; A174-L186 HydrophobicContact CB-CD1 4.13Å; Q182-L186 WeakPolarHBondContact O-CB 3.39Å; Q182-L186 VanDerWaalsContact O-CG 3.25Å; Q182-L186 WeakPolarHBondContact O-CG 3.23Å; Q182-L186 PolarHBondContact O-N 3.19Å; A183-L186 PolarHBondContact O-N 2.94Å; L186-Y189 CarbonylContact O-C 3.5Å; L186-Y189 WeakPolarHBondContact O-CA 3.32Å; L186-Y189 PolarHBondContact O-N 2.95Å; L186-G190 PolarHBondContact O-N 2.96Å; L186-A191 HydrophobicContact CB-CB 3.78Å; L186-A191 WeakPolarHBondContact O-CB 3.38Å; L186-A191 PolarHBondContact O-N 3.47Å
187A98.4Very high97.9Very high24 Ų2428.3 Ų28.320%0.19817%0.173CC..Hα-helixtrans-64.9-41.8177.600000112.7A183 E184 Y189 G190 I222A183-A187 VanDerWaalsContact O-CB 3.28Å; A183-A187 WeakPolarHBondContact O-CB 3.44Å; A183-A187 PolarHBondContact O-N 2.91Å; E184-A187 PolarHBondContact O-N 2.74Å; A187-Y189 PolarHBondContact O-N 3.47Å; A187-G190 PolarHBondContact O-N 3.45Å; A187-I222 HydrophobicContact CB-CD1 4.06Å; A187-I222 HydrophobicContact CB-CG1 4.47Å; A187-I222 HydrophobicContact CB-CG2 3.52Å
188V98.2Very high97.9Very high20 Ų2031.3 Ų31.312%0.12119%0.193CC..Hα-helixtrans-59.4-25.9173.6166.10000112.3V24 N25 Q47 L60 M63 E184 L185V24-V188 HydrophobicContact CG1-CG1 4.09Å; V24-V188 HydrophobicContact CG1-CG2 3.76Å; N25-V188 HydrophobicContact CB-CG1 3.69Å; Q47-V188 PolarHBondContact NE2-O 2.73Å; L60-V188 HydrophobicContact CD1-CG2 3.74Å; M63-V188 HydrophobicContact CE-CG2 4.04Å; E184-V188 WeakPolarHBondContact O-CB 3.29Å; E184-V188 VanDerWaalsContact O-CG2 3.28Å; E184-V188 WeakPolarHBondContact O-CG2 3.19Å; E184-V188 PolarHBondContact O-N 2.55Å; L185-V188 PolarHBondContact O-N 2.8Å
189Y98.1Very high97.8Very high66 Ų6633.9 Ų33.926%0.25921%0.208SC..THydrogen-bonded Turntrans-99.314.5174.2-85-99.1000114.2N25 L150 L153 A159 L185 L186 A187N25-Y189 HydrophobicContact CB-CE2 4.31Å; N25-Y189 WeakPolarHBondContact O-CE2 3.43Å; N25-Y189 PolarHBondContact O-OH 2.82Å; N25-Y189 VanDerWaalsContact O-OH 3.07Å; L150-Y189 HydrophobicContact CD1-CE2 3.93Å; L150-Y189 WeakPolarHBondContact CD1-OH 3.44Å; L153-Y189 HydrophobicContact CB-CD1 4Å; L153-Y189 HydrophobicContact CB-CE1 3.76Å; L153-Y189 HydrophobicContact CB-CG 4.46Å; L153-Y189 HydrophobicContact CD1-CD1 4.3Å; L153-Y189 HydrophobicContact CD1-CD2 3.83Å; L153-Y189 HydrophobicContact CD1-CE2 4.11Å; L153-Y189 HydrophobicContact CD1-CG 3.91Å; L153-Y189 HydrophobicContact CD2-CD1 3.94Å; L153-Y189 HydrophobicContact CD2-CG 4.03Å; L153-Y189 HydrophobicContact CG-CD1 4.3Å; L153-Y189 HydrophobicContact CG-CG 4.36Å; A159-Y189 WeakPolarHBondContact CB-O 3.24Å; L185-Y189 HydrophobicContact CD1-CD2 3.96Å; L185-Y189 HydrophobicContact CD1-CE2 3.94Å; L185-Y189 WeakPolarHBondContact O-CD2 3.45Å; L185-Y189 PolarHBondContact O-N 3.49Å; L186-Y189 CarbonylContact O-C 3.5Å; L186-Y189 WeakPolarHBondContact O-CA 3.32Å; L186-Y189 PolarHBondContact O-N 2.95Å; A187-Y189 PolarHBondContact O-N 3.47Å
190G96.2Very high97.7Very high53 Ų5333.2 Ų33.255%0.54622%0.215SC..THydrogen-bonded Turntrans84.522.8170.800000116.3L186 A187L186-G190 PolarHBondContact O-N 2.96Å; A187-G190 PolarHBondContact O-N 3.45Å
191A97.9Very high97.7Very high4 Ų435.2 Ų35.23%0.03322%0.222CC..  trans-72.2131.1164.800000111A159 L171 L186A159-A191 HydrophobicContact CB-CB 4.06Å; L171-A191 HydrophobicContact CB-CB 4.14Å; L171-A191 HydrophobicContact CD2-CB 4.02Å; L186-A191 HydrophobicContact CB-CB 3.78Å; L186-A191 WeakPolarHBondContact O-CB 3.38Å; L186-A191 PolarHBondContact O-N 3.47Å
192D97.1Very high97.7Very high59 Ų5934.9 Ų34.932%0.31622%0.222SC..  trans-94.8122.4-173.8165.539.4000112.2N160 G194 T195N160-D192 PolarHBondContact OD1-N 3.33Å; D192-G194 VanDerWaalsContact C-N 3.26Å; D192-G194 PolarHBondContact O-N 2.88Å; D192-G194 WeakPolarHBondContact OD1-CA 3.39Å; D192-G194 PolarHBondContact OD1-N 3.21Å; D192-T195 WeakPolarHBondContact OD2-CA 3.49Å; D192-T195 WeakPolarHBondContact OD2-CB 3.32Å; D192-T195 PolarHBondContact OD2-N 2.93Å; D192-T195 PolarHBondContact OD2-OG1 2.98Å
193P97.4Very high97.7Very high4 Ų434.8 Ų34.83%0.02622%0.221CC..THydrogen-bonded Turntrans-70.9-12.5173.7-15.930.2000115.1L171 P203 V204 L219 I222 Q223L171-P193 HydrophobicContact CD2-CB 4.34Å; L171-P193 HydrophobicContact CD2-CG 4.14Å; P193-P203 WeakPolarHBondContact O-CD 3.28Å; P193-V204 HydrophobicContact CB-CG2 4.34Å; P193-L219 HydrophobicContact CB-CB 4.34Å; P193-L219 HydrophobicContact CB-CD2 4.21Å; P193-L219 HydrophobicContact CG-CD2 4.26Å; P193-I222 HydrophobicContact CG-CB 4.12Å; P193-I222 HydrophobicContact CG-CG2 3.62Å; P193-Q223 HydrophobicContact CB-CB 4.14Å; P193-Q223 HydrophobicContact CG-CB 4.21Å
194G95.9Very high97.7Very high24 Ų2435 Ų3525%0.24722%0.222CC..THydrogen-bonded Turntrans-84.8-22176.700000114.8D192 Q196D192-G194 VanDerWaalsContact C-N 3.26Å; D192-G194 PolarHBondContact O-N 2.88Å; D192-G194 WeakPolarHBondContact OD1-CA 3.39Å; D192-G194 PolarHBondContact OD1-N 3.21Å; G194-Q196 PolarHBondContact O-N 3.46Å
195T96.5Very high97.7Very high34 Ų3437.1 Ų37.121%0.20923%0.234CC..  trans-59.9130.5-177.4-720000110.7T169 H172 D192 P203T169-T195 HydrophobicContact CG2-CG2 3.96Å; H172-T195 PolarHBondContact CE1-O 3.39Å; H172-T195 PolarHBondContact NE2-O 3.12Å; D192-T195 WeakPolarHBondContact OD2-CA 3.49Å; D192-T195 WeakPolarHBondContact OD2-CB 3.32Å; D192-T195 PolarHBondContact OD2-N 2.93Å; D192-T195 PolarHBondContact OD2-OG1 2.98Å; T195-P203 VanDerWaalsContact O-CD 3.3Å; T195-P203 WeakPolarHBondContact O-CD 3.5Å
196Q97.6Very high97.6Very high122 Ų12238.5 Ų38.557%0.5724%0.239SC*.  trans-91.6146.6178.6-64.3178.9-69.600112.2G194 G200 K201 T202G194-Q196 PolarHBondContact O-N 3.46Å; Q196-G200 PolarHBondContact NE2-O 3.26Å; Q196-K201 CarbonylContact C-O 3.6Å; Q196-K201 WeakPolarHBondContact CA-O 3.45Å; Q196-T202 HydrophobicContact CG-CG2 4.21Å
197D97.6Very high97.6Very high15 Ų1538.4 Ų38.48%0.0824%0.239CC..  trans-80.5175.5168.480.5-6.1000113G167 N168 H172 S199 G200 K201 Y206G167-D197 CarbonylContact O-C 3.55Å; G167-D197 VanDerWaalsContact O-CA 3.29Å; G167-D197 WeakPolarHBondContact O-CA 3.34Å; G167-D197 VanDerWaalsContact O-CB 3.27Å; G167-D197 WeakPolarHBondContact O-CB 3.36Å; N168-D197 HydrophobicContact CB-CB 3.81Å; H172-D197 PolarHBondContact NE2-N 3Å; D197-S199 VanDerWaalsContact CG-OG 3.26Å; D197-S199 PolarHBondContact O-N 3.09Å; D197-S199 VanDerWaalsContact OD1-C 3.3Å; D197-S199 VanDerWaalsContact OD1-CA 3.22Å; D197-S199 WeakPolarHBondContact OD1-CA 3.43Å; D197-S199 WeakPolarHBondContact OD1-CB 3.48Å; D197-S199 PolarHBondContact OD1-N 2.67Å; D197-S199 PolarHBondContact OD1-OG 3.05Å; D197-S199 PolarHBondContact OD2-OG 3.5Å; D197-S199 VanDerWaalsContact OD2-OG 3.13Å; D197-G200 PolarHBondContact O-N 2.89Å; D197-G200 PolarHBondContact OD1-N 3.41Å; D197-G200 VanDerWaalsContact OD1-N 3.13Å; D197-K201 PolarHBondContact N-O 2.86Å; D197-K201 PolarHBondContact OD1-N 2.79Å; D197-Y206 WeakPolarHBondContact OD2-CE2 3.44Å; D197-Y206 VanDerWaalsContact OD2-CZ 3.28Å; D197-Y206 PolarHBondContact OD2-OH 2.97Å
198S97.6Very high97.6Very high94 Ų9443.3 Ų43.366%0.65725%0.252SS*.THydrogen-bonded Turntrans-64.1-0.2174.9-59.90000115G167G167-S198 WeakPolarHBondContact CA-OG 3.48Å; G167-S198 PolarHBondContact O-N 3.02Å; G167-S198 PolarHBondContact O-OG 3.39Å
199S96.7Very high97.5Very high71 Ų7147.6 Ų47.650%0.49727%0.271SS..THydrogen-bonded Turntrans-106.85.8168.478.30000113.3D197 K201D197-S199 VanDerWaalsContact CG-OG 3.26Å; D197-S199 PolarHBondContact O-N 3.09Å; D197-S199 VanDerWaalsContact OD1-C 3.3Å; D197-S199 VanDerWaalsContact OD1-CA 3.22Å; D197-S199 WeakPolarHBondContact OD1-CA 3.43Å; D197-S199 WeakPolarHBondContact OD1-CB 3.48Å; D197-S199 PolarHBondContact OD1-N 2.67Å; D197-S199 PolarHBondContact OD1-OG 3.05Å; D197-S199 PolarHBondContact OD2-OG 3.5Å; D197-S199 VanDerWaalsContact OD2-OG 3.13Å; S199-K201 VanDerWaalsContact C-N 3.32Å; S199-K201 WeakPolarHBondContact OG-CD 3.25Å
200G97.1Very high97.4Very high39 Ų3946.3 Ų46.340%0.40228%0.277SS..SBendtrans789.6-178.600000114.5Q196 D197Q196-G200 PolarHBondContact NE2-O 3.26Å; D197-G200 PolarHBondContact O-N 2.89Å; D197-G200 PolarHBondContact OD1-N 3.41Å; D197-G200 VanDerWaalsContact OD1-N 3.13Å
201K98.1Very high97.5Very high73 Ų7345.7 Ų45.732%0.31727%0.271SS..  trans-96.2144-176.4-68.3178177.7-1770111.4H172 Q196 D197 S199 D205 Y206H172-K201 PolarHBondContact NE2-O 3.35Å; H172-K201 VanDerWaalsContact NE2-O 3.12Å; Q196-K201 CarbonylContact C-O 3.6Å; Q196-K201 WeakPolarHBondContact CA-O 3.45Å; D197-K201 PolarHBondContact N-O 2.86Å; D197-K201 PolarHBondContact OD1-N 2.79Å; S199-K201 VanDerWaalsContact C-N 3.32Å; S199-K201 WeakPolarHBondContact OG-CD 3.25Å; K201-D205 HydrophobicContact CB-CB 4.39Å; K201-Y206 HydrophobicContact CB-CD2 4.25Å; K201-Y206 HydrophobicContact CB-CE2 3.71Å; K201-Y206 HydrophobicContact CD-CE1 4.41Å; K201-Y206 HydrophobicContact CD-CE2 4.19Å
202T98.3Very high97.5Very high24 Ų2449.7 Ų49.715%0.14729%0.289CS..  trans-88.2165.6172.666.90000111.8Q196 V204 D205 Y206Q196-T202 HydrophobicContact CG-CG2 4.21Å; T202-V204 PolarHBondContact O-N 2.62Å; T202-V204 PolarHBondContact OG1-N 3.35Å; T202-D205 WeakPolarHBondContact CB-OD2 3.28Å; T202-D205 PolarHBondContact N-OD2 3.37Å; T202-D205 PolarHBondContact O-N 2.97Å; T202-D205 VanDerWaalsContact O-N 3.13Å; T202-D205 PolarHBondContact OG1-N 2.93Å; T202-D205 VanDerWaalsContact OG1-N 3.16Å; T202-D205 PolarHBondContact OG1-OD2 3.33Å; T202-Y206 WeakPolarHBondContact O-CD2 3.39Å; T202-Y206 PolarHBondContact O-N 3.49Å
203P98.5Very high97.5Very high0 Ų052.9 Ų52.90%030%0.302CS..Hα-helixtrans-53.5-37.8166.3-26.635.1000112.9L171 H172 S175 P193 T195 D205 Y206 A207 L219L171-P203 HydrophobicContact CB-CG 4.19Å; L171-P203 HydrophobicContact CD2-CB 4.29Å; L171-P203 HydrophobicContact CD2-CG 4.05Å; L171-P203 HydrophobicContact CG-CB 3.92Å; L171-P203 HydrophobicContact CG-CG 3.95Å; H172-P203 WeakPolarHBondContact NE2-CD 3.5Å; S175-P203 WeakPolarHBondContact CB-O 3.41Å; S175-P203 WeakPolarHBondContact OG-CB 3.37Å; P193-P203 WeakPolarHBondContact O-CD 3.28Å; T195-P203 VanDerWaalsContact O-CD 3.3Å; T195-P203 WeakPolarHBondContact O-CD 3.5Å; P203-D205 VanDerWaalsContact C-N 3.3Å; P203-D205 PolarHBondContact O-N 3.08Å; P203-Y206 PolarHBondContact O-N 3.15Å; P203-A207 PolarHBondContact O-N 2.86Å; P203-L219 HydrophobicContact CB-CD1 4.39Å
204V98.1Very high97.6Very high3 Ų359 Ų592%0.01833%0.33CS..Hα-helixtrans-59.5-42.2177.1-165.40000111P193 T202 Y206 A207 R208 A216 L219 V220P193-V204 HydrophobicContact CB-CG2 4.34Å; T202-V204 PolarHBondContact O-N 2.62Å; T202-V204 PolarHBondContact OG1-N 3.35Å; V204-Y206 VanDerWaalsContact C-N 3.34Å; V204-Y206 PolarHBondContact O-N 3.4Å; V204-A207 PolarHBondContact O-N 2.9Å; V204-R208 VanDerWaalsContact CG1-CZ 3.42Å; V204-R208 WeakPolarHBondContact O-CG 3.46Å; V204-R208 PolarHBondContact O-N 3.29Å; V204-A216 HydrophobicContact CG1-CB 4.37Å; V204-L219 HydrophobicContact CG2-CB 3.97Å; V204-V220 HydrophobicContact CG1-CG2 3.81Å; V204-V220 HydrophobicContact CG2-CG2 4.44Å
205D98.1Very high97.7Very high48 Ų4858.1 Ų58.126%0.25732%0.32SS..Hα-helixtrans-68.1-34.9179.9-57.9-48.7000112K201 T202 P203 R208 Q209K201-D205 HydrophobicContact CB-CB 4.39Å; T202-D205 WeakPolarHBondContact CB-OD2 3.28Å; T202-D205 PolarHBondContact N-OD2 3.37Å; T202-D205 PolarHBondContact O-N 2.97Å; T202-D205 VanDerWaalsContact O-N 3.13Å; T202-D205 PolarHBondContact OG1-N 2.93Å; T202-D205 VanDerWaalsContact OG1-N 3.16Å; T202-D205 PolarHBondContact OG1-OD2 3.33Å; P203-D205 VanDerWaalsContact C-N 3.3Å; P203-D205 PolarHBondContact O-N 3.08Å; D205-R208 PolarHBondContact O-N 3.31Å; D205-R208 IonicContact OD1-NH1 2.65Å; D205-Q209 VanDerWaalsContact C-NE2 3.32Å; D205-Q209 VanDerWaalsContact O-CB 3.31Å; D205-Q209 WeakPolarHBondContact O-CB 3.47Å; D205-Q209 VanDerWaalsContact O-CG 3.24Å; D205-Q209 WeakPolarHBondContact O-CG 3.35Å; D205-Q209 PolarHBondContact O-N 2.83Å; D205-Q209 PolarHBondContact O-NE2 3.23Å
206Y98.3Very high97.7Very high30 Ų3056.7 Ų56.712%0.11831%0.311CS..Hα-helixtrans-68.9-39.2172.8-80.8-71.7000112.8H172 K176 D197 K201 T202 P203 V204 R208 Q209 G210H172-Y206 AromaticContact CD2-CD2 3.8Å; H172-Y206 AromaticContact CD2-CE2 3.83Å; K176-Y206 HydrophobicContact CB-CD1 4.11Å; K176-Y206 HydrophobicContact CB-CG 4.3Å; K176-Y206 HydrophobicContact CD-CD1 3.77Å; K176-Y206 HydrophobicContact CD-CE1 3.94Å; K176-Y206 HydrophobicContact CG-CD1 3.95Å; D197-Y206 WeakPolarHBondContact OD2-CE2 3.44Å; D197-Y206 VanDerWaalsContact OD2-CZ 3.28Å; D197-Y206 PolarHBondContact OD2-OH 2.97Å; K201-Y206 HydrophobicContact CB-CD2 4.25Å; K201-Y206 HydrophobicContact CB-CE2 3.71Å; K201-Y206 HydrophobicContact CD-CE1 4.41Å; K201-Y206 HydrophobicContact CD-CE2 4.19Å; T202-Y206 WeakPolarHBondContact O-CD2 3.39Å; T202-Y206 PolarHBondContact O-N 3.49Å; P203-Y206 PolarHBondContact O-N 3.15Å; V204-Y206 VanDerWaalsContact C-N 3.34Å; V204-Y206 PolarHBondContact O-N 3.4Å; Y206-R208 VanDerWaalsContact C-N 3.35Å; Y206-Q209 PolarHBondContact O-N 2.94Å; Y206-G210 PolarHBondContact O-N 2.81Å
207A98.3Very high97.7Very high0 Ų055.1 Ų55.10%030%0.304CS..Hα-helixtrans-60.6-45.117300000111P203 V204 G210 G211 H212 L215 A216 L219P203-A207 PolarHBondContact O-N 2.86Å; V204-A207 PolarHBondContact O-N 2.9Å; A207-G210 PolarHBondContact O-N 3.33Å; A207-G211 PolarHBondContact O-N 3.39Å; A207-H212 HydrophobicContact CB-CB 4.38Å; A207-H212 WeakPolarHBondContact O-CA 3.34Å; A207-H212 WeakPolarHBondContact O-CB 3.49Å; A207-H212 PolarHBondContact O-N 3.2Å; A207-L215 HydrophobicContact CB-CB 4.38Å; A207-L215 HydrophobicContact CB-CD2 4.47Å; A207-L215 HydrophobicContact CB-CG 4.05Å; A207-A216 HydrophobicContact CB-CB 3.84Å; A207-L219 HydrophobicContact CB-CD1 4Å
208R97.6Very high97.7Very high126 Ų12655.2 Ų55.248%0.47530%0.303SS..Hα-helixtrans-61.3-46.5174.2-68.3174.9-178.6137.3-0.2112.3V204 D205 Y206 G210 G211 A216V204-R208 VanDerWaalsContact CG1-CZ 3.42Å; V204-R208 WeakPolarHBondContact O-CG 3.46Å; V204-R208 PolarHBondContact O-N 3.29Å; D205-R208 PolarHBondContact O-N 3.31Å; D205-R208 IonicContact OD1-NH1 2.65Å; Y206-R208 VanDerWaalsContact C-N 3.35Å; R208-G210 VanDerWaalsContact C-N 3.28Å; R208-G210 PolarHBondContact O-N 3.19Å; R208-G211 PolarHBondContact O-N 3.37Å; R208-G211 VanDerWaalsContact O-N 3.1Å; R208-A216 HydrophobicContact CG-CB 3.59Å
209Q97.4Very high97.7Very high111 Ų11150.7 Ų50.752%0.51927%0.272SS..Hα-helixtrans-65.9-27.4179.5-77.8161.272.300113.3D205 Y206 G211D205-Q209 VanDerWaalsContact C-NE2 3.32Å; D205-Q209 VanDerWaalsContact O-CB 3.31Å; D205-Q209 WeakPolarHBondContact O-CB 3.47Å; D205-Q209 VanDerWaalsContact O-CG 3.24Å; D205-Q209 WeakPolarHBondContact O-CG 3.35Å; D205-Q209 PolarHBondContact O-N 2.83Å; D205-Q209 PolarHBondContact O-NE2 3.23Å; Y206-Q209 PolarHBondContact O-N 2.94Å; Q209-G211 VanDerWaalsContact C-N 3.34Å
210G96.1Very high97.8Very high38 Ų3847.9 Ų47.939%0.39225%0.251SS..THydrogen-bonded Turntrans-83.1-2.6172.500000115Y206 A207 R208 H212Y206-G210 PolarHBondContact O-N 2.81Å; A207-G210 PolarHBondContact O-N 3.33Å; R208-G210 VanDerWaalsContact C-N 3.28Å; R208-G210 PolarHBondContact O-N 3.19Å; G210-H212 PolarHBondContact O-N 3.46Å
211G97.8Very high97.8Very high40 Ų4049.5 Ų49.541%0.41225%0.249SC..THydrogen-bonded Turntrans74.810.4-172.900000114.3A207 R208 Q209 H213A207-G211 PolarHBondContact O-N 3.39Å; R208-G211 PolarHBondContact O-N 3.37Å; R208-G211 VanDerWaalsContact O-N 3.1Å; Q209-G211 VanDerWaalsContact C-N 3.34Å; G211-H213 PolarHBondContact O-CD2 3.18Å; G211-H213 VanDerWaalsContact O-CD2 3.24Å; G211-H213 PolarHBondContact O-N 2.98Å
212H98.2Very high97.8Very high88 Ų8847.3 Ų47.341%0.40724%0.24SC..  trans-82.862.3-178.9-51-52.1000110.7S175 G178 A207 G210 E214 L215 A216S175-H212 PolarHBondContact O-CD2 3.46Å; G178-H212 VanDerWaalsContact CA-CD2 3.46Å; G178-H212 WeakPolarHBondContact CA-CD2 3.46Å; G178-H212 PolarHBondContact N-CD2 3.35Å; A207-H212 HydrophobicContact CB-CB 4.38Å; A207-H212 WeakPolarHBondContact O-CA 3.34Å; A207-H212 WeakPolarHBondContact O-CB 3.49Å; A207-H212 PolarHBondContact O-N 3.2Å; G210-H212 PolarHBondContact O-N 3.46Å; H212-E214 PolarHBondContact O-N 3.43Å; H212-L215 HydrophobicContact CB-CB 4.11Å; H212-L215 PolarHBondContact O-N 3.48Å; H212-L215 VanDerWaalsContact O-N 3.17Å; H212-A216 PolarHBondContact O-N 3.48Å
213H97.3Very high97.7Very high127 Ų12749.6 Ų49.659%0.58825%0.249SC*.Hα-helixtrans-60.9-40.7-170.7-63.2-65.4000113.8G211 L215 A216 E217G211-H213 PolarHBondContact O-CD2 3.18Å; G211-H213 VanDerWaalsContact O-CD2 3.24Å; G211-H213 PolarHBondContact O-N 2.98Å; H213-L215 VanDerWaalsContact C-N 3.35Å; H213-L215 PolarHBondContact O-N 3.26Å; H213-A216 WeakPolarHBondContact O-CB 3.4Å; H213-A216 PolarHBondContact O-N 2.92Å; H213-A216 VanDerWaalsContact O-N 3.15Å; H213-E217 WeakPolarHBondContact O-CG 3.13Å; H213-E217 PolarHBondContact O-N 3.39Å
214E97.7Very high97.6Very high133 Ų13350.4 Ų50.462%0.62125%0.252SS*.Hα-helixtrans-58.6-44.9174.8-177.7179.8-162.500111.8I180 H212 E217 R218I180-E214 HydrophobicContact CD1-CG 3.93Å; H212-E214 PolarHBondContact O-N 3.43Å; E214-E217 PolarHBondContact O-N 3.1Å; E214-R218 VanDerWaalsContact O-CB 3.3Å; E214-R218 WeakPolarHBondContact O-CB 3.35Å; E214-R218 PolarHBondContact O-N 2.86Å
215L98.3Very high97.5Very high5 Ų551.8 Ų51.83%0.02626%0.258CS..Hα-helixtrans-66.2-38174.9176.952000111.7I180 A183 A207 H212 H213 R218 L219I180-L215 HydrophobicContact CB-CB 4.47Å; I180-L215 HydrophobicContact CB-CD1 4.25Å; I180-L215 HydrophobicContact CD1-CB 4.07Å; I180-L215 HydrophobicContact CD1-CD1 4.43Å; I180-L215 HydrophobicContact CG1-CB 4.4Å; I180-L215 HydrophobicContact CG1-CD1 3.99Å; A183-L215 HydrophobicContact CB-CD1 3.66Å; A207-L215 HydrophobicContact CB-CB 4.38Å; A207-L215 HydrophobicContact CB-CD2 4.47Å; A207-L215 HydrophobicContact CB-CG 4.05Å; H212-L215 HydrophobicContact CB-CB 4.11Å; H212-L215 PolarHBondContact O-N 3.48Å; H212-L215 VanDerWaalsContact O-N 3.17Å; H213-L215 VanDerWaalsContact C-N 3.35Å; H213-L215 PolarHBondContact O-N 3.26Å; L215-R218 PolarHBondContact O-N 3.39Å; L215-L219 HydrophobicContact CD1-CD1 3.8Å; L215-L219 HydrophobicContact CD1-CD2 4.34Å; L215-L219 HydrophobicContact CD1-CG 3.73Å; L215-L219 HydrophobicContact CG-CD1 3.87Å; L215-L219 HydrophobicContact CG-CG 4.32Å; L215-L219 WeakPolarHBondContact O-CB 3.43Å; L215-L219 WeakPolarHBondContact O-CD1 3.46Å; L215-L219 WeakPolarHBondContact O-CG 3.24Å; L215-L219 PolarHBondContact O-N 2.89Å
216A98Very high97.5Very high4 Ų452 Ų523%0.03326%0.259CS..Hα-helixtrans-65.2-38.6176.200000112.8V204 A207 R208 H212 H213 V220V204-A216 HydrophobicContact CG1-CB 4.37Å; A207-A216 HydrophobicContact CB-CB 3.84Å; R208-A216 HydrophobicContact CG-CB 3.59Å; H212-A216 PolarHBondContact O-N 3.48Å; H213-A216 WeakPolarHBondContact O-CB 3.4Å; H213-A216 PolarHBondContact O-N 2.92Å; H213-A216 VanDerWaalsContact O-N 3.15Å; A216-V220 WeakPolarHBondContact O-CG2 3.43Å
217E96.7Very high97.4Very high88 Ų8851.2 Ų51.241%0.41126%0.257SS..Hα-helixtrans-67.7-47.4172.8-68.1-174.8153.600110.9H213 E214 L219 V220 E221 K242H213-E217 WeakPolarHBondContact O-CG 3.13Å; H213-E217 PolarHBondContact O-N 3.39Å; E214-E217 PolarHBondContact O-N 3.1Å; E217-L219 VanDerWaalsContact C-N 3.35Å; E217-L219 PolarHBondContact O-N 3.49Å; E217-V220 WeakPolarHBondContact O-CB 3.39Å; E217-V220 PolarHBondContact O-N 3.27Å; E217-V220 VanDerWaalsContact O-N 3.07Å; E217-E221 PolarHBondContact O-N 3.09Å; E217-E221 VanDerWaalsContact O-N 3.13Å; E217-K242 VanDerWaalsContact OE1-CE 3.32Å; E217-K242 WeakPolarHBondContact OE1-CE 3.23Å; E217-K242 IonicContact OE1-NZ 2.74Å; E217-K242 PolarHBondContact OE1-NZ 3.22Å; E217-K242 WeakPolarHBondContact OE2-CE 3.46Å; E217-K242 IonicContact OE2-NZ 3.87Å; E217-K242 PolarHBondContact OE2-NZ 3.36Å
218R97.8Very high97.4Very high17 Ų1751.3 Ų51.36%0.06426%0.258CS..Hα-helixtrans-64.3-34.9-178.8-176.659.8-169.3128.320.6113.2P57 E184 E214 L215 V220 E221 I222P57-R218 VanDerWaalsContact CB-CZ 3.49Å; E184-R218 IonicContact OE1-CZ 3.29Å; E184-R218 IonicContact OE1-NE 2.64Å; E184-R218 PolarHBondContact OE1-NE 3.04Å; E184-R218 IonicContact OE1-NH2 3.34Å; E184-R218 PolarHBondContact OE1-NH2 3.21Å; E184-R218 IonicContact OE2-CZ 3Å; E184-R218 IonicContact OE2-NE 3.67Å; E184-R218 IonicContact OE2-NH2 3.77Å; E184-R218 PolarHBondContact OE2-NH2 3.46Å; E214-R218 VanDerWaalsContact O-CB 3.3Å; E214-R218 WeakPolarHBondContact O-CB 3.35Å; E214-R218 PolarHBondContact O-N 2.86Å; L215-R218 PolarHBondContact O-N 3.39Å; R218-V220 VanDerWaalsContact C-N 3.3Å; R218-V220 PolarHBondContact O-N 3.08Å; R218-E221 VanDerWaalsContact CD-OE2 3.23Å; R218-E221 WeakPolarHBondContact CD-OE2 3.2Å; R218-E221 IonicContact CZ-OE2 3.78Å; R218-E221 IonicContact NE-OE2 2.68Å; R218-E221 IonicContact NH1-OE2 3.49Å; R218-E221 PolarHBondContact NH1-OE2 2.87Å; R218-E221 WeakPolarHBondContact O-CB 3.24Å; R218-E221 PolarHBondContact O-N 3.39Å; R218-I222 HydrophobicContact CG-CD1 4.2Å; R218-I222 VanDerWaalsContact O-CG1 3.27Å; R218-I222 WeakPolarHBondContact O-CG1 3.39Å; R218-I222 PolarHBondContact O-N 3.38Å
219L98.3Very high97.4Very high0 Ų046.7 Ų46.70%024%0.241CC..Hα-helixtrans-65-32.4173.4-76163.9000112.6L171 S175 A183 P193 P203 V204 A207 L215 E217 I222 Q223L171-L219 HydrophobicContact CD1-CD2 4Å; L171-L219 HydrophobicContact CD2-CD2 4.23Å; L171-L219 HydrophobicContact CG-CD2 4.28Å; S175-L219 WeakPolarHBondContact OG-CD1 3.41Å; A183-L219 HydrophobicContact CB-CD2 4.31Å; P193-L219 HydrophobicContact CB-CB 4.34Å; P193-L219 HydrophobicContact CB-CD2 4.21Å; P193-L219 HydrophobicContact CG-CD2 4.26Å; P203-L219 HydrophobicContact CB-CD1 4.39Å; V204-L219 HydrophobicContact CG2-CB 3.97Å; A207-L219 HydrophobicContact CB-CD1 4Å; L215-L219 HydrophobicContact CD1-CD1 3.8Å; L215-L219 HydrophobicContact CD1-CD2 4.34Å; L215-L219 HydrophobicContact CD1-CG 3.73Å; L215-L219 HydrophobicContact CG-CD1 3.87Å; L215-L219 HydrophobicContact CG-CG 4.32Å; L215-L219 WeakPolarHBondContact O-CB 3.43Å; L215-L219 WeakPolarHBondContact O-CD1 3.46Å; L215-L219 WeakPolarHBondContact O-CG 3.24Å; L215-L219 PolarHBondContact O-N 2.89Å; E217-L219 VanDerWaalsContact C-N 3.35Å; E217-L219 PolarHBondContact O-N 3.49Å; L219-I222 PolarHBondContact O-N 3.1Å; L219-Q223 WeakPolarHBondContact O-CB 3.4Å; L219-Q223 PolarHBondContact O-N 3.16Å
220V97.6Very high97.4Very high11 Ų1141.4 Ų41.47%0.06722%0.216CC..Hα-helixtrans-69.7-43.9173.4176.70000110.1V204 A216 E217 R218 I222 Q223 Y224 H241V204-V220 HydrophobicContact CG1-CG2 3.81Å; V204-V220 HydrophobicContact CG2-CG2 4.44Å; A216-V220 WeakPolarHBondContact O-CG2 3.43Å; E217-V220 WeakPolarHBondContact O-CB 3.39Å; E217-V220 PolarHBondContact O-N 3.27Å; E217-V220 VanDerWaalsContact O-N 3.07Å; R218-V220 VanDerWaalsContact C-N 3.3Å; R218-V220 PolarHBondContact O-N 3.08Å; V220-I222 VanDerWaalsContact C-N 3.27Å; V220-I222 PolarHBondContact O-N 3.26Å; V220-Q223 WeakPolarHBondContact O-CB 3.27Å; V220-Q223 PolarHBondContact O-N 3.47Å; V220-Q223 VanDerWaalsContact O-N 3.13Å; V220-Y224 HydrophobicContact CG1-CD2 3.92Å; V220-Y224 HydrophobicContact CG1-CE2 3.89Å; V220-Y224 VanDerWaalsContact O-CD2 3.26Å; V220-Y224 WeakPolarHBondContact O-CD2 3.46Å; V220-Y224 PolarHBondContact O-N 2.91Å; V220-H241 HydrophobicContact CG1-CB 3.88Å
221E96.9Very high97.4Very high74 Ų7439.6 Ų39.635%0.34620%0.197SC..Hα-helixtrans-56.9-41.2172.3-62.5-179175.400112.4E217 R218 Y224 E225E217-E221 PolarHBondContact O-N 3.09Å; E217-E221 VanDerWaalsContact O-N 3.13Å; R218-E221 VanDerWaalsContact CD-OE2 3.23Å; R218-E221 WeakPolarHBondContact CD-OE2 3.2Å; R218-E221 IonicContact CZ-OE2 3.78Å; R218-E221 IonicContact NE-OE2 2.68Å; R218-E221 IonicContact NH1-OE2 3.49Å; R218-E221 PolarHBondContact NH1-OE2 2.87Å; R218-E221 WeakPolarHBondContact O-CB 3.24Å; R218-E221 PolarHBondContact O-N 3.39Å; E221-Y224 PolarHBondContact O-N 2.74Å; E221-E225 WeakPolarHBondContact O-CA 3.47Å; E221-E225 PolarHBondContact O-N 3.22Å
222I97.8Very high97.3Very high27 Ų2741.4 Ų41.414%0.13819%0.194CC..Hα-helixtrans-63.9-41.9176.6-70.1165.6000110.9A187 P193 R218 L219 V220 Y224 E225A187-I222 HydrophobicContact CB-CD1 4.06Å; A187-I222 HydrophobicContact CB-CG1 4.47Å; A187-I222 HydrophobicContact CB-CG2 3.52Å; P193-I222 HydrophobicContact CG-CB 4.12Å; P193-I222 HydrophobicContact CG-CG2 3.62Å; R218-I222 HydrophobicContact CG-CD1 4.2Å; R218-I222 VanDerWaalsContact O-CG1 3.27Å; R218-I222 WeakPolarHBondContact O-CG1 3.39Å; R218-I222 PolarHBondContact O-N 3.38Å; L219-I222 PolarHBondContact O-N 3.1Å; V220-I222 VanDerWaalsContact C-N 3.27Å; V220-I222 PolarHBondContact O-N 3.26Å; I222-Y224 PolarHBondContact O-N 3.43Å; I222-E225 PolarHBondContact O-N 3.38Å
223Q96.9Very high97.2Very high71 Ų7140.7 Ų40.733%0.33219%0.188SC..Hα-helixtrans-60.1-32.5179.1-165.8-178.95.600112.7P193 L219 V220P193-Q223 HydrophobicContact CB-CB 4.14Å; P193-Q223 HydrophobicContact CG-CB 4.21Å; L219-Q223 WeakPolarHBondContact O-CB 3.4Å; L219-Q223 PolarHBondContact O-N 3.16Å; V220-Q223 WeakPolarHBondContact O-CB 3.27Å; V220-Q223 PolarHBondContact O-N 3.47Å; V220-Q223 VanDerWaalsContact O-N 3.13Å
224Y96.8Very high97.1Very high18 Ų1837 Ų377%0.07117%0.173CC..Hα-helixtrans-105.2-2.8-178.5-65.7-75.4000114.7V220 E221 I222 L226 T227 D228 H241 H246 F247 Q357V220-Y224 HydrophobicContact CG1-CD2 3.92Å; V220-Y224 HydrophobicContact CG1-CE2 3.89Å; V220-Y224 VanDerWaalsContact O-CD2 3.26Å; V220-Y224 WeakPolarHBondContact O-CD2 3.46Å; V220-Y224 PolarHBondContact O-N 2.91Å; E221-Y224 PolarHBondContact O-N 2.74Å; I222-Y224 PolarHBondContact O-N 3.43Å; Y224-L226 CarbonylContact O-C 3.58Å; Y224-L226 PolarHBondContact O-N 3.35Å; Y224-T227 PolarHBondContact O-N 2.95Å; Y224-T227 PolarHBondContact O-OG1 3.02Å; Y224-D228 WeakPolarHBondContact O-CB 3.37Å; Y224-D228 PolarHBondContact O-N 3.01Å; Y224-H241 AromaticContact CD2-NE2 3.93Å; Y224-H246 HydrophobicContact CD1-CB 3.99Å; Y224-H246 HydrophobicContact CD2-CB 4.15Å; Y224-H246 AromaticContact CD2-ND1 3.75Å; Y224-H246 HydrophobicContact CE1-CB 3.55Å; Y224-H246 HydrophobicContact CE2-CB 3.77Å; Y224-H246 AromaticContact CE2-CG 3.51Å; Y224-H246 AromaticContact CE2-ND1 3.3Å; Y224-H246 VanDerWaalsContact CE2-ND1 3.3Å; Y224-H246 WeakPolarHBondContact CE2-ND1 3.48Å; Y224-H246 HydrophobicContact CG-CB 4.27Å; Y224-H246 VanDerWaalsContact CZ-CB 3.44Å; Y224-H246 AromaticContact CZ-CG 3.52Å; Y224-H246 AromaticContact CZ-ND1 3.84Å; Y224-F247 HydrophobicContact CE1-CE2 4.41Å; Y224-F247 HydrophobicContact CE1-CZ 4.11Å; Y224-Q357 VanDerWaalsContact CE1-NE2 3.29Å; Y224-Q357 PolarHBondContact OH-NE2 2.9Å; Y224-Q357 PolarHBondContact OH-OE1 3.36Å; Y224-Q357 VanDerWaalsContact OH-OE1 3.12Å
225E96.5Very high96.9Very high31 Ų3133 Ų3315%0.14516%0.158CC..Hα-helixtrans-49.1-34.9-172.4177.268.9165.700113.6E221 I222 R229 K238E221-E225 WeakPolarHBondContact O-CA 3.47Å; E221-E225 PolarHBondContact O-N 3.22Å; I222-E225 PolarHBondContact O-N 3.38Å; E225-R229 VanDerWaalsContact O-CB 3.26Å; E225-R229 WeakPolarHBondContact O-CB 3.27Å; E225-R229 PolarHBondContact O-N 2.72Å; E225-K238 IonicContact OE2-NZ 2.77Å; E225-K238 PolarHBondContact OE2-NZ 2.98Å
226L97.2Very high96.6Very high52 Ų5235.1 Ų35.127%0.27218%0.182SC..Hα-helixtrans-59.2-61.5173.8-167.1163.9000111.1Y224 D228 R229 L230 A282 M283 Y286Y224-L226 CarbonylContact O-C 3.58Å; Y224-L226 PolarHBondContact O-N 3.35Å; L226-D228 VanDerWaalsContact C-N 3.32Å; L226-D228 PolarHBondContact O-N 2.96Å; L226-R229 PolarHBondContact O-N 2.69Å; L226-L230 HydrophobicContact CD2-CD1 3.76Å; L226-L230 HydrophobicContact CD2-CG 4.18Å; L226-L230 WeakPolarHBondContact O-CG 3.35Å; L226-L230 PolarHBondContact O-N 2.98Å; L226-L230 VanDerWaalsContact O-N 3.09Å; L226-A282 HydrophobicContact CD1-CB 4.2Å; L226-A282 HydrophobicContact CD2-CB 4.02Å; L226-M283 HydrophobicContact CD1-CG 4.02Å; L226-Y286 HydrophobicContact CB-CD2 4.26Å; L226-Y286 HydrophobicContact CG-CD2 3.96Å; L226-Y286 HydrophobicContact CG-CG 4.2Å
227T97.3Very high96.3Very high14 Ų1442.3 Ų42.39%0.08621%0.208CC..Hα-helixtrans-68.4-31.7-178.942.80000112.7Y224 L230 A231 F247 L350 A353Y224-T227 PolarHBondContact O-N 2.95Å; Y224-T227 PolarHBondContact O-OG1 3.02Å; T227-L230 PolarHBondContact O-N 3.13Å; T227-A231 WeakPolarHBondContact O-CB 3.44Å; T227-A231 PolarHBondContact O-N 3.34Å; T227-F247 HydrophobicContact CG2-CE1 4.19Å; T227-L350 HydrophobicContact CG2-CD2 4.16Å; T227-L350 VanDerWaalsContact O-CD2 3.25Å; T227-L350 WeakPolarHBondContact O-CD2 3.5Å; T227-A353 HydrophobicContact CG2-CB 3.82Å
228D97.2Very high96.1Very high3 Ų342.3 Ų42.32%0.01621%0.207CC..Hα-helixtrans-60.2-46.1173.1-103.741.2000112Y224 L226 A231 F232 K238 P239 H241Y224-D228 WeakPolarHBondContact O-CB 3.37Å; Y224-D228 PolarHBondContact O-N 3.01Å; L226-D228 VanDerWaalsContact C-N 3.32Å; L226-D228 PolarHBondContact O-N 2.96Å; D228-A231 PolarHBondContact O-N 2.92Å; D228-F232 VanDerWaalsContact O-CB 3.26Å; D228-F232 WeakPolarHBondContact O-CB 3.38Å; D228-F232 PolarHBondContact O-N 3.45Å; D228-K238 HydrophobicContact CB-CD 4.37Å; D228-K238 HydrophobicContact CB-CG 4.15Å; D228-K238 WeakPolarHBondContact OD2-CD 3.49Å; D228-K238 VanDerWaalsContact OD2-CE 3.31Å; D228-K238 WeakPolarHBondContact OD2-CE 3.47Å; D228-K238 VanDerWaalsContact OD2-CG 3.25Å; D228-K238 WeakPolarHBondContact OD2-CG 3.46Å; D228-K238 IonicContact OD2-NZ 2.67Å; D228-K238 PolarHBondContact OD2-NZ 2.75Å; D228-P239 VanDerWaalsContact CG-CD 3.47Å; D228-P239 WeakPolarHBondContact OD1-CD 3.39Å; D228-P239 WeakPolarHBondContact OD1-CG 3.46Å; D228-H241 IonicContact OD1-CE1 3.94Å; D228-H241 PolarHBondContact OD1-CE1 2.93Å; D228-H241 VanDerWaalsContact OD1-CE1 3.22Å; D228-H241 IonicContact OD1-NE2 2.71Å; D228-H241 IonicContact OD2-NE2 2.64Å
229R96.9Very high95.9Very high29 Ų2942.2 Ų42.211%0.10921%0.208CC..Hα-helixtrans-71.1-39.3179.8-164.7175.2-169.6177.4-5.3111.9E225 L226 A231 F232 Y233 Y286 V289 D290 E293E225-R229 VanDerWaalsContact O-CB 3.26Å; E225-R229 WeakPolarHBondContact O-CB 3.27Å; E225-R229 PolarHBondContact O-N 2.72Å; L226-R229 PolarHBondContact O-N 2.69Å; R229-A231 VanDerWaalsContact C-N 3.33Å; R229-A231 PolarHBondContact O-N 3.08Å; R229-F232 PolarHBondContact O-N 3.17Å; R229-Y233 WeakPolarHBondContact O-CB 3.49Å; R229-Y233 PolarHBondContact O-N 3.46Å; R229-Y286 HydrophobicContact CB-CD2 4.15Å; R229-Y286 HydrophobicContact CB-CE2 3.7Å; R229-Y286 HydrophobicContact CG-CE2 4.12Å; R229-Y286 PolarHBondContact NH1-OH 3.33Å; R229-Y286 VanDerWaalsContact NH1-OH 3.08Å; R229-V289 HydrophobicContact CG-CG1 4.09Å; R229-D290 IonicContact CZ-OD1 3.77Å; R229-D290 IonicContact NH1-OD1 2.83Å; R229-D290 PolarHBondContact NH1-OD1 2.88Å; R229-D290 IonicContact NH2-OD1 2.74Å; R229-D290 PolarHBondContact NH2-OD1 3.21Å; R229-E293 IonicContact CZ-OE2 3.56Å; R229-E293 IonicContact NE-OE2 3.22Å; R229-E293 PolarHBondContact NE-OE2 2.75Å; R229-E293 IonicContact NH2-OE2 3.72Å; R229-E293 PolarHBondContact NH2-OE2 3.04Å
230L97.9Very high95.6Very high0 Ų045.5 Ų45.50%023%0.226CC..Hα-helixtrans-58.6-42.3171.9-72.4-167.8000112.1L226 T227 V285 V289 V346 I349 L350L226-L230 HydrophobicContact CD2-CD1 3.76Å; L226-L230 HydrophobicContact CD2-CG 4.18Å; L226-L230 WeakPolarHBondContact O-CG 3.35Å; L226-L230 PolarHBondContact O-N 2.98Å; L226-L230 VanDerWaalsContact O-N 3.09Å; T227-L230 PolarHBondContact O-N 3.13Å; L230-V285 HydrophobicContact CD2-CG1 4.1Å; L230-V289 HydrophobicContact CD2-CB 4.38Å; L230-V289 HydrophobicContact CD2-CG2 3.71Å; L230-V346 HydrophobicContact CB-CG1 3.86Å; L230-V346 HydrophobicContact CD2-CG1 4.2Å; L230-V346 HydrophobicContact CD2-CG2 4.33Å; L230-V346 HydrophobicContact CG-CG1 4.41Å; L230-V346 WeakPolarHBondContact O-CG1 3.27Å; L230-I349 HydrophobicContact CD1-CB 4.48Å; L230-I349 HydrophobicContact CD1-CG2 3.68Å; L230-L350 HydrophobicContact CB-CD1 4.34Å; L230-L350 HydrophobicContact CB-CD2 3.84Å; L230-L350 HydrophobicContact CB-CG 4.11Å
231A96.8Very high95.4Very high0 Ų046.3 Ų46.30%023%0.229CC..Hα-helixtrans-69.5-43174.100000112.4T227 D228 R229 Y233 L234 C235 I248 L350T227-A231 WeakPolarHBondContact O-CB 3.44Å; T227-A231 PolarHBondContact O-N 3.34Å; D228-A231 PolarHBondContact O-N 2.92Å; R229-A231 VanDerWaalsContact C-N 3.33Å; R229-A231 PolarHBondContact O-N 3.08Å; A231-Y233 PolarHBondContact O-N 2.94Å; A231-L234 PolarHBondContact O-N 3.14Å; A231-C235 PolarHBondContact O-N 2.94Å; A231-C235 VanDerWaalsContact O-N 3.08Å; A231-C235 PolarHBondContact O-SG 2.93Å; A231-I248 HydrophobicContact CB-CB 4.16Å; A231-L350 HydrophobicContact CB-CD1 4.22Å; A231-L350 HydrophobicContact CB-CD2 4.31Å
232F95.8Very high95.1Very high78 Ų7849.6 Ų49.634%0.34224%0.242SC..Hα-helixtrans-61.4-43.1179.6-175.6-94.8000112.1D228 R229 L234 C235 G236 R237 K238D228-F232 VanDerWaalsContact O-CB 3.26Å; D228-F232 WeakPolarHBondContact O-CB 3.38Å; D228-F232 PolarHBondContact O-N 3.45Å; R229-F232 PolarHBondContact O-N 3.17Å; F232-L234 PolarHBondContact O-N 3.17Å; F232-C235 PolarHBondContact O-N 3.18Å; F232-G236 VanDerWaalsContact CD2-C 3.49Å; F232-G236 VanDerWaalsContact O-CA 3.31Å; F232-G236 WeakPolarHBondContact O-CA 3.49Å; F232-G236 PolarHBondContact O-N 2.89Å; F232-R237 WeakPolarHBondContact CA-O 3.19Å; F232-R237 PolarHBondContact N-O 3.28Å; F232-K238 HydrophobicContact CB-CG 4.42Å; F232-K238 HydrophobicContact CD2-CG 4.42Å
233Y95.8Very high94.7Very high72 Ų7254.7 Ų54.728%0.28227%0.269SS..Hα-helixtrans-54.7-35.8176.9175.4-102.7000113.2R229 A231 V289 R292 E293 F342R229-Y233 WeakPolarHBondContact O-CB 3.49Å; R229-Y233 PolarHBondContact O-N 3.46Å; A231-Y233 PolarHBondContact O-N 2.94Å; Y233-V289 HydrophobicContact CD1-CG2 3.97Å; Y233-V289 HydrophobicContact CD2-CG1 3.89Å; Y233-V289 HydrophobicContact CD2-CG2 4.34Å; Y233-V289 HydrophobicContact CE1-CG2 4.42Å; Y233-V289 HydrophobicContact CG-CG1 3.88Å; Y233-V289 HydrophobicContact CG-CG2 3.95Å; Y233-R292 HydrophobicContact CE2-CB 4.25Å; Y233-R292 WeakPolarHBondContact OH-CD 3.34Å; Y233-E293 HydrophobicContact CD2-CG 4.01Å; Y233-F342 HydrophobicContact CD1-CE1 4.36Å; Y233-F342 AromaticContact CE1-CD1 3.68Å; Y233-F342 HydrophobicContact CE1-CD1 3.68Å; Y233-F342 AromaticContact CE1-CE1 3.65Å; Y233-F342 HydrophobicContact CE1-CE1 3.65Å; Y233-F342 AromaticContact CZ-CE1 3.97Å
234L95.1Very high94.2Very high51 Ų5153.6 Ų53.627%0.26728%0.278SS..Hα-helixtrans-91.9-28.7-178.3-65.1-174.8000115A231 F232 P250 A343 V346 I347A231-L234 PolarHBondContact O-N 3.14Å; F232-L234 PolarHBondContact O-N 3.17Å; L234-P250 HydrophobicContact CB-CB 4.38Å; L234-P250 HydrophobicContact CB-CG 3.97Å; L234-P250 HydrophobicContact CD1-CB 4.41Å; L234-P250 HydrophobicContact CD1-CG 4.07Å; L234-A343 HydrophobicContact CD1-CB 4.46Å; L234-A343 HydrophobicContact CD2-CB 3.74Å; L234-V346 HydrophobicContact CD1-CB 3.93Å; L234-V346 HydrophobicContact CD1-CG1 3.56Å; L234-V346 HydrophobicContact CG-CG1 3.99Å; L234-I347 HydrophobicContact CD1-CD1 4.18Å; L234-I347 HydrophobicContact CD1-CG1 3.61Å
235C93.1Very high93.9Very high47 Ų4757.6 Ų57.632%0.31830%0.297SS..Hα-helixtrans-133.31.4-171.9740000116.1A231 F232 R237A231-C235 PolarHBondContact O-N 2.94Å; A231-C235 VanDerWaalsContact O-N 3.08Å; A231-C235 PolarHBondContact O-SG 2.93Å; F232-C235 PolarHBondContact O-N 3.18Å; C235-R237 PolarHBondContact O-N 3.35Å
236G92.6Very high93.8Very high50 Ų5058.3 Ų58.352%0.51530%0.3SS..SBendtrans65.422.9179.600000114.3F232F232-G236 VanDerWaalsContact CD2-C 3.49Å; F232-G236 VanDerWaalsContact O-CA 3.31Å; F232-G236 WeakPolarHBondContact O-CA 3.49Å; F232-G236 PolarHBondContact O-N 2.89Å
237R92Very high93.8Very high156 Ų15656.8 Ų56.859%0.58929%0.291SS*.  trans-138.4144.5-175.9-60.1174.8-169-165.70.5111.1F232 C235 I248F232-R237 WeakPolarHBondContact CA-O 3.19Å; F232-R237 PolarHBondContact N-O 3.28Å; C235-R237 PolarHBondContact O-N 3.35Å; R237-I248 HydrophobicContact CB-CD1 4.14Å
238K91.1Very high93.6Very high88 Ų8857.8 Ų57.838%0.38330%0.296SS..  trans-102.5156.8167.4-79.4177.8154.8-112.80110.4E225 D228 F232 I248E225-K238 IonicContact OE2-NZ 2.77Å; E225-K238 PolarHBondContact OE2-NZ 2.98Å; D228-K238 HydrophobicContact CB-CD 4.37Å; D228-K238 HydrophobicContact CB-CG 4.15Å; D228-K238 WeakPolarHBondContact OD2-CD 3.49Å; D228-K238 VanDerWaalsContact OD2-CE 3.31Å; D228-K238 WeakPolarHBondContact OD2-CE 3.47Å; D228-K238 VanDerWaalsContact OD2-CG 3.25Å; D228-K238 WeakPolarHBondContact OD2-CG 3.46Å; D228-K238 IonicContact OD2-NZ 2.67Å; D228-K238 PolarHBondContact OD2-NZ 2.75Å; F232-K238 HydrophobicContact CB-CG 4.42Å; F232-K238 HydrophobicContact CD2-CG 4.42Å; K238-I248 WeakPolarHBondContact O-CD1 3.33Å
239P93.6Very high93.5Very high14 Ų1460.4 Ų60.49%0.09131%0.309CS..  trans-66.6155.5175.2-14.931.6000112.5D228 H241 Q245 I248D228-P239 VanDerWaalsContact CG-CD 3.47Å; D228-P239 WeakPolarHBondContact OD1-CD 3.39Å; D228-P239 WeakPolarHBondContact OD1-CG 3.46Å; P239-H241 PolarHBondContact O-N 2.76Å; P239-Q245 HydrophobicContact CB-CG 4.45Å; P239-Q245 WeakPolarHBondContact CB-O 3.04Å; P239-I248 HydrophobicContact CB-CG1 4.19Å; P239-I248 HydrophobicContact CG-CD1 4.44Å; P239-I248 HydrophobicContact CG-CG1 4.1Å
240D92.6Very high93.3Very high70 Ų7059.9 Ų59.937%0.37431%0.31SS..  trans-9088.2172.3-173.7-10.6000111.3K242 N243 Q245D240-K242 PolarHBondContact O-N 3.37Å; D240-K242 WeakPolarHBondContact OD1-CB 3.46Å; D240-K242 PolarHBondContact OD1-N 3.49Å; D240-N243 PolarHBondContact O-N 2.92Å; D240-N243 PolarHBondContact OD1-N 3.31Å; D240-N243 PolarHBondContact OD2-ND2 3.42Å; D240-Q245 CarbonylContact C-O 3.16Å; D240-Q245 PolarHBondContact N-O 3.23Å; D240-Q245 WeakPolarHBondContact O-CB 3.49Å; D240-Q245 PolarHBondContact O-N 2.9Å
241H93.8Very high92.7Very high27 Ų2768.4 Ų68.413%0.12535%0.349CS..G310 helixtrans-61.6-24.4178-61.6-12.2000114V220 Y224 D228 P239 N243 G244 Q245 H246V220-H241 HydrophobicContact CG1-CB 3.88Å; Y224-H241 AromaticContact CD2-NE2 3.93Å; D228-H241 IonicContact OD1-CE1 3.94Å; D228-H241 PolarHBondContact OD1-CE1 2.93Å; D228-H241 VanDerWaalsContact OD1-CE1 3.22Å; D228-H241 IonicContact OD1-NE2 2.71Å; D228-H241 IonicContact OD2-NE2 2.64Å; P239-H241 PolarHBondContact O-N 2.76Å; H241-N243 VanDerWaalsContact C-N 3.32Å; H241-G244 PolarHBondContact O-N 2.87Å; H241-Q245 PolarHBondContact N-O 2.94Å; H241-Q245 PolarHBondContact ND1-O 3.39Å; H241-H246 AromaticContact CG-ND1 3.75Å; H241-H246 AromaticContact ND1-ND1 3.53Å
242K89.4Confident91.7Very high144 Ų14471 Ų7163%0.62636%0.362SS*.G310 helixtrans-71.7-32.8-178.3-56.8-167.1179-140.50111.2E217 D240 G244E217-K242 VanDerWaalsContact OE1-CE 3.32Å; E217-K242 WeakPolarHBondContact OE1-CE 3.23Å; E217-K242 IonicContact OE1-NZ 2.74Å; E217-K242 PolarHBondContact OE1-NZ 3.22Å; E217-K242 WeakPolarHBondContact OE2-CE 3.46Å; E217-K242 IonicContact OE2-NZ 3.87Å; E217-K242 PolarHBondContact OE2-NZ 3.36Å; D240-K242 PolarHBondContact O-N 3.37Å; D240-K242 WeakPolarHBondContact OD1-CB 3.46Å; D240-K242 PolarHBondContact OD1-N 3.49Å; K242-G244 VanDerWaalsContact C-N 3.29Å
243N89.6Confident90.3Very high133 Ų13371.9 Ų71.971%0.71138%0.384SS*.G310 helixtrans-89.714.9173-73.5-52.6000113.3D240 H241 Q245D240-N243 PolarHBondContact O-N 2.92Å; D240-N243 PolarHBondContact OD1-N 3.31Å; D240-N243 PolarHBondContact OD2-ND2 3.42Å; H241-N243 VanDerWaalsContact C-N 3.32Å; N243-Q245 PolarHBondContact O-N 3.46Å
244G87.9Confident88.5Confident49 Ų4973 Ų7351%0.50539%0.394SS..THydrogen-bonded Turntrans72.88.2179.600000114.7H241 K242 H246H241-G244 PolarHBondContact O-N 2.87Å; K242-G244 VanDerWaalsContact C-N 3.29Å; G244-H246 PolarHBondContact O-CD2 3.26Å; G244-H246 VanDerWaalsContact O-CD2 3.31Å; G244-H246 PolarHBondContact O-N 3.43Å
245Q90.8Very high86.6Confident101 Ų10175 Ų7547%0.47241%0.413SS..  trans-85.599.9173-172.9179.1-800109.5P239 D240 H241 N243 F247P239-Q245 HydrophobicContact CB-CG 4.45Å; P239-Q245 WeakPolarHBondContact CB-O 3.04Å; D240-Q245 CarbonylContact C-O 3.16Å; D240-Q245 PolarHBondContact N-O 3.23Å; D240-Q245 WeakPolarHBondContact O-CB 3.49Å; D240-Q245 PolarHBondContact O-N 2.9Å; H241-Q245 PolarHBondContact N-O 2.94Å; H241-Q245 PolarHBondContact ND1-O 3.39Å; N243-Q245 PolarHBondContact O-N 3.46Å; Q245-F247 WeakPolarHBondContact CG-O 3.23Å; Q245-F247 PolarHBondContact NE2-O 3.18Å
246H94.4Very high84.4Confident46 Ų4678.2 Ų78.221%0.21344%0.436CS..  trans-95.5-2.2180-58.4-62.9000114.8Y224 H241 G244Y224-H246 HydrophobicContact CD1-CB 3.99Å; Y224-H246 HydrophobicContact CD2-CB 4.15Å; Y224-H246 AromaticContact CD2-ND1 3.75Å; Y224-H246 HydrophobicContact CE1-CB 3.55Å; Y224-H246 HydrophobicContact CE2-CB 3.77Å; Y224-H246 AromaticContact CE2-CG 3.51Å; Y224-H246 AromaticContact CE2-ND1 3.3Å; Y224-H246 VanDerWaalsContact CE2-ND1 3.3Å; Y224-H246 WeakPolarHBondContact CE2-ND1 3.48Å; Y224-H246 HydrophobicContact CG-CB 4.27Å; Y224-H246 VanDerWaalsContact CZ-CB 3.44Å; Y224-H246 AromaticContact CZ-CG 3.52Å; Y224-H246 AromaticContact CZ-ND1 3.84Å; H241-H246 AromaticContact CG-ND1 3.75Å; H241-H246 AromaticContact ND1-ND1 3.53Å; G244-H246 PolarHBondContact O-CD2 3.26Å; G244-H246 VanDerWaalsContact O-CD2 3.31Å; G244-H246 PolarHBondContact O-N 3.43Å
247F95.4Very high82.8Confident20 Ų2082 Ų829%0.08844%0.444CS..  trans-138.3144178.2-59-84.6000112.7Y224 T227 Q245 I249 A353 K354 Q357Y224-F247 HydrophobicContact CE1-CE2 4.41Å; Y224-F247 HydrophobicContact CE1-CZ 4.11Å; T227-F247 HydrophobicContact CG2-CE1 4.19Å; Q245-F247 WeakPolarHBondContact CG-O 3.23Å; Q245-F247 PolarHBondContact NE2-O 3.18Å; F247-I249 HydrophobicContact CB-CD1 4.45Å; F247-A353 HydrophobicContact CE1-CB 4.14Å; F247-K354 HydrophobicContact CB-CB 4.44Å; F247-K354 HydrophobicContact CB-CD 4.11Å; F247-K354 HydrophobicContact CB-CG 4.42Å; F247-K354 HydrophobicContact CD1-CB 3.96Å; F247-K354 HydrophobicContact CD2-CB 3.91Å; F247-K354 HydrophobicContact CD2-CD 4.19Å; F247-K354 HydrophobicContact CD2-CG 3.71Å; F247-K354 HydrophobicContact CE1-CB 4.15Å; F247-K354 HydrophobicContact CE2-CB 4.1Å; F247-K354 HydrophobicContact CE2-CG 4.07Å; F247-K354 HydrophobicContact CG-CB 3.84Å; F247-K354 HydrophobicContact CG-CD 4.24Å; F247-K354 HydrophobicContact CG-CG 4.01Å; F247-K354 HydrophobicContact CZ-CB 4.23Å; F247-Q357 HydrophobicContact CE2-CB 4.44Å; F247-Q357 HydrophobicContact CZ-CB 4.14Å
248I94.8Very high81.3Confident35 Ų3581.2 Ų81.218%0.17945%0.451CS..  trans-117.1130.4159.5-70.3175.1000106.8A231 R237 K238 P239A231-I248 HydrophobicContact CB-CB 4.16Å; R237-I248 HydrophobicContact CB-CD1 4.14Å; K238-I248 WeakPolarHBondContact O-CD1 3.33Å; P239-I248 HydrophobicContact CB-CG1 4.19Å; P239-I248 HydrophobicContact CG-CD1 4.44Å; P239-I248 HydrophobicContact CG-CG1 4.1Å
249I94.6Very high80.1Confident58 Ų5882.3 Ų82.330%0.29746%0.461SS..  trans-110.6107.3172.7-48.4-57000107.2F247 I347 L350 S351 K354F247-I249 HydrophobicContact CB-CD1 4.45Å; I249-I347 HydrophobicContact CG2-CG2 4.29Å; I249-L350 HydrophobicContact CD1-CB 3.85Å; I249-L350 WeakPolarHBondContact CD1-O 3.14Å; I249-S351 WeakPolarHBondContact CG2-OG 3.5Å; I249-K354 HydrophobicContact CD1-CB 4.4Å; I249-K354 HydrophobicContact CD1-CD 4.31Å; I249-K354 HydrophobicContact CG1-CD 4.31Å
250P92.1Very high79.5Confident19 Ų1985.1 Ų85.112%0.12348%0.48CS..  trans-63.5153.1175.4-22.334.2000112.1L234 I347 L350L234-P250 HydrophobicContact CB-CB 4.38Å; L234-P250 HydrophobicContact CB-CG 3.97Å; L234-P250 HydrophobicContact CD1-CB 4.41Å; L234-P250 HydrophobicContact CD1-CG 4.07Å; P250-I347 HydrophobicContact CB-CD1 4.17Å; P250-I347 HydrophobicContact CB-CG1 4.07Å; P250-I347 HydrophobicContact CG-CG1 4.4Å; P250-L350 HydrophobicContact CG-CD1 4.3Å
251Q84.5Confident79.1Confident179 Ų17987.8 Ų87.884%0.83649%0.491SS*.  trans-111.4135.6172.1-69.3-178.1-2900109.4
252M77.2Confident78.7Confident53 Ų5393 Ų9326%0.26152%0.519SS..  trans-71.8142172-63.6-66.7-87.600109.6D254 S255 H340 A343 I347M252-D254 PolarHBondContact O-N 3.1Å; M252-S255 WeakPolarHBondContact O-CB 3.28Å; M252-S255 PolarHBondContact O-N 3.12Å; M252-S255 PolarHBondContact O-OG 3.37Å; M252-H340 WeakPolarHBondContact CE-ND1 3.42Å; M252-A343 HydrophobicContact CE-CB 4.23Å; M252-A343 HydrophobicContact SD-CB 4.08Å; M252-I347 HydrophobicContact CG-CD1 3.72Å; M252-I347 HydrophobicContact SD-CD1 3.6Å
253A66.3Low78.5Confident97 Ų9787.5 Ų87.580%0.80250%0.5SS*.THydrogen-bonded Turntrans-63.5-30.9-179.300000112.9S255A253-S255 VanDerWaalsContact C-N 3.25Å; A253-S255 PolarHBondContact O-N 3.37Å
254D57.8Low78.4Confident95 Ų9583.9 Ų83.951%0.50848%0.478SS..THydrogen-bonded Turntrans-87.520.8-175.5-47.1-59.1000113.3M252 S256 L257M252-D254 PolarHBondContact O-N 3.1Å; D254-S256 PolarHBondContact O-N 3.3Å; D254-L257 PolarHBondContact O-N 2.8Å
255S56Low78.6Confident94 Ų9483.6 Ų83.666%0.65747%0.471SS*.THydrogen-bonded Turntrans-68.113.3-176.9700000115.2M252 A253M252-S255 WeakPolarHBondContact O-CB 3.28Å; M252-S255 PolarHBondContact O-N 3.12Å; M252-S255 PolarHBondContact O-OG 3.37Å; A253-S255 VanDerWaalsContact C-N 3.25Å; A253-S255 PolarHBondContact O-N 3.37Å
256S47Very low78.6Confident114 Ų11481.4 Ų81.480%0.79747%0.47SS*.THydrogen-bonded Turntrans-96.1-12.1168.455.20000113.1D254D254-S256 PolarHBondContact O-N 3.3Å
257L58.1Low78.5Confident131 Ų13182 Ų8269%0.68647%0.472SS*.SBendtrans-88.8139.7169-63.6177.2000109.5D254 L259D254-L257 PolarHBondContact O-N 2.8Å; L257-L259 PolarHBondContact O-N 3.4Å
258D59.6Low78.4Confident138 Ų13888 Ų8874%0.73850%0.498SS*.PPolyproline II helixtrans-61130.9-179.5-148.6-40.2000109.9S260 K264D258-S260 PolarHBondContact O-N 3.18Å; D258-S260 VanDerWaalsContact O-N 3.1Å; D258-K264 IonicContact OD1-NZ 3.19Å; D258-K264 PolarHBondContact OD1-NZ 3.13Å
259L66.9Low78.5Confident112 Ų11293.9 Ų93.959%0.58652%0.522SS*.PPolyproline II helixtrans-60.5120.3-178.8-76.8169.9000108.4L257 E261 K264L257-L259 PolarHBondContact O-N 3.4Å; L259-E261 PolarHBondContact O-N 2.99Å; L259-K264 HydrophobicContact CB-CD 4.5Å; L259-K264 HydrophobicContact CB-CG 4.11Å; L259-K264 VanDerWaalsContact O-CD 3.25Å; L259-K264 WeakPolarHBondContact O-CD 3.47Å; L259-K264 WeakPolarHBondContact O-CE 3.48Å; L259-K264 PolarHBondContact O-NZ 3.27Å
260S80.3Confident78.5Confident72 Ų7291.7 Ų91.750%0.50351%0.511SS..PPolyproline II helixtrans-46.8136.9179.7173.40000111.1D258 L262 A263 K264D258-S260 PolarHBondContact O-N 3.18Å; D258-S260 VanDerWaalsContact O-N 3.1Å; S260-L262 PolarHBondContact O-N 2.66Å; S260-L262 VanDerWaalsContact O-N 3.1Å; S260-L262 PolarHBondContact OG-N 2.96Å; S260-A263 WeakPolarHBondContact O-CA 3.49Å; S260-A263 WeakPolarHBondContact O-CB 3.34Å; S260-A263 PolarHBondContact O-N 3.17Å; S260-K264 PolarHBondContact O-N 2.75Å
261E85Confident78.7Confident126 Ų12694.7 Ų94.759%0.58952%0.523SS*.Hα-helixtrans-57.8-27.6178.1-67.5-54138.300112.1L259 K264 A265L259-E261 PolarHBondContact O-N 2.99Å; E261-K264 VanDerWaalsContact CD-CD 3.48Å; E261-K264 PolarHBondContact O-N 3.38Å; E261-K264 WeakPolarHBondContact OE1-CD 3.22Å; E261-K264 WeakPolarHBondContact OE1-CE 3.31Å; E261-K264 IonicContact OE1-NZ 2.61Å; E261-K264 PolarHBondContact OE1-NZ 3.1Å; E261-K264 WeakPolarHBondContact OE2-CD 3.4Å; E261-A265 WeakPolarHBondContact O-CB 3.41Å; E261-A265 PolarHBondContact O-N 3.38Å
262L85.9Confident79.3Confident138 Ų13890.7 Ų90.772%0.72352%0.516SS*.Hα-helixtrans-64.4-40.6170.8-174.763.6000112.3S260 A265 A266S260-L262 PolarHBondContact O-N 2.66Å; S260-L262 VanDerWaalsContact O-N 3.1Å; S260-L262 PolarHBondContact OG-N 2.96Å; L262-A265 PolarHBondContact O-N 3.25Å; L262-A266 WeakPolarHBondContact O-CB 3.4Å; L262-A266 PolarHBondContact O-N 2.82Å
263A84.7Confident80.2Confident27 Ų2790.6 Ų90.622%0.22352%0.516CS..Hα-helixtrans-70.9-42.7175.400000111.5S260 A265 A266 K267S260-A263 WeakPolarHBondContact O-CA 3.49Å; S260-A263 WeakPolarHBondContact O-CB 3.34Å; S260-A263 PolarHBondContact O-N 3.17Å; A263-A265 VanDerWaalsContact C-N 3.29Å; A263-A265 PolarHBondContact O-N 3.05Å; A263-A266 PolarHBondContact O-N 3.39Å; A263-K267 WeakPolarHBondContact O-CB 3.41Å; A263-K267 PolarHBondContact O-N 2.65Å
264K87.4Confident81.6Confident57 Ų5788.9 Ų88.925%0.24850%0.498CS..Hα-helixtrans-58-40.8172.2-69.9165175.7154.60111.3D258 L259 S260 E261 K268D258-K264 IonicContact OD1-NZ 3.19Å; D258-K264 PolarHBondContact OD1-NZ 3.13Å; L259-K264 HydrophobicContact CB-CD 4.5Å; L259-K264 HydrophobicContact CB-CG 4.11Å; L259-K264 VanDerWaalsContact O-CD 3.25Å; L259-K264 WeakPolarHBondContact O-CD 3.47Å; L259-K264 WeakPolarHBondContact O-CE 3.48Å; L259-K264 PolarHBondContact O-NZ 3.27Å; S260-K264 PolarHBondContact O-N 2.75Å; E261-K264 VanDerWaalsContact CD-CD 3.48Å; E261-K264 PolarHBondContact O-N 3.38Å; E261-K264 WeakPolarHBondContact OE1-CD 3.22Å; E261-K264 WeakPolarHBondContact OE1-CE 3.31Å; E261-K264 IonicContact OE1-NZ 2.61Å; E261-K264 PolarHBondContact OE1-NZ 3.1Å; E261-K264 WeakPolarHBondContact OE2-CD 3.4Å; K264-K268 WeakPolarHBondContact O-CG 3.44Å; K264-K268 PolarHBondContact O-N 3.38Å; K264-K268 VanDerWaalsContact O-N 3.11Å
265A91.3Very high83.4Confident43 Ų4388.5 Ų88.536%0.35550%0.496SS..Hα-helixtrans-70.4-41.917600000113E261 L262 A263 K267 K268 K269E261-A265 WeakPolarHBondContact O-CB 3.41Å; E261-A265 PolarHBondContact O-N 3.38Å; L262-A265 PolarHBondContact O-N 3.25Å; A263-A265 VanDerWaalsContact C-N 3.29Å; A263-A265 PolarHBondContact O-N 3.05Å; A265-K267 VanDerWaalsContact C-N 3.35Å; A265-K268 PolarHBondContact O-N 3.44Å; A265-K269 PolarHBondContact O-N 3.3Å
266A91.2Very high85.3Confident55 Ų5589.5 Ų89.546%0.45549%0.49SS..Hα-helixtrans-60.8-43.9174.900000111.5L262 A263 K268 K269 L270L262-A266 WeakPolarHBondContact O-CB 3.4Å; L262-A266 PolarHBondContact O-N 2.82Å; A263-A266 PolarHBondContact O-N 3.39Å; A266-K268 PolarHBondContact O-N 2.88Å; A266-K269 WeakPolarHBondContact O-CB 3.36Å; A266-K269 PolarHBondContact O-N 2.84Å; A266-K269 VanDerWaalsContact O-N 3.14Å; A266-L270 PolarHBondContact O-N 3.17Å
267K92.4Very high87.6Confident60 Ų6088.2 Ų88.226%0.26147%0.473SS..Hα-helixtrans-61.2-42.5175.3-168.6167.4-168.6144.20112.6A263 A265 K269 L270 Q271 D348A263-K267 WeakPolarHBondContact O-CB 3.41Å; A263-K267 PolarHBondContact O-N 2.65Å; A265-K267 VanDerWaalsContact C-N 3.35Å; K267-K269 VanDerWaalsContact C-N 3.34Å; K267-K269 PolarHBondContact O-N 2.86Å; K267-L270 PolarHBondContact O-N 3.32Å; K267-Q271 WeakPolarHBondContact O-CB 3.32Å; K267-Q271 VanDerWaalsContact O-CG 3.23Å; K267-Q271 WeakPolarHBondContact O-CG 3.41Å; K267-Q271 PolarHBondContact O-N 2.92Å; K267-D348 WeakPolarHBondContact CB-OD2 3.34Å; K267-D348 WeakPolarHBondContact CD-OD1 3.38Å; K267-D348 WeakPolarHBondContact CE-OD1 3.26Å; K267-D348 WeakPolarHBondContact CG-OD2 3.44Å; K267-D348 IonicContact NZ-OD1 2.7Å; K267-D348 PolarHBondContact NZ-OD1 2.83Å
268K93.9Very high89.5Confident145 Ų14582.4 Ų82.463%0.6344%0.443SS*.Hα-helixtrans-60.6-40.9172.3-75.1172.5179.8176.20112.1K264 A265 A266 Q271 S272K264-K268 WeakPolarHBondContact O-CG 3.44Å; K264-K268 PolarHBondContact O-N 3.38Å; K264-K268 VanDerWaalsContact O-N 3.11Å; A265-K268 PolarHBondContact O-N 3.44Å; A266-K268 PolarHBondContact O-N 2.88Å; K268-Q271 PolarHBondContact O-N 3.21Å; K268-S272 PolarHBondContact O-N 2.85Å
269K95.5Very high91.3Very high158 Ų15880.5 Ų80.569%0.68743%0.43SS*.Hα-helixtrans-64.8-44.4175.2-72.4-176.8178-176.30112A265 A266 K267 Q271 S272A265-K269 PolarHBondContact O-N 3.3Å; A266-K269 WeakPolarHBondContact O-CB 3.36Å; A266-K269 PolarHBondContact O-N 2.84Å; A266-K269 VanDerWaalsContact O-N 3.14Å; K267-K269 VanDerWaalsContact C-N 3.34Å; K267-K269 PolarHBondContact O-N 2.86Å; K269-Q271 VanDerWaalsContact C-N 3.32Å; K269-Q271 PolarHBondContact O-N 3.01Å; K269-S272 PolarHBondContact O-N 3.06Å; K269-S272 PolarHBondContact O-OG 3.03Å
270L96.2Very high92.7Very high12 Ų1277.8 Ų77.86%0.06341%0.414CS..Hα-helixtrans-57.4-44.7173.1-177.870000111.9A266 K267 S272 L273 F278 L281 D348 I349 D352 R356A266-L270 PolarHBondContact O-N 3.17Å; K267-L270 PolarHBondContact O-N 3.32Å; L270-S272 VanDerWaalsContact C-N 3.26Å; L270-S272 PolarHBondContact O-N 3.48Å; L270-L273 HydrophobicContact CD1-CD1 4.14Å; L270-L273 WeakPolarHBondContact O-CB 3.47Å; L270-L273 WeakPolarHBondContact O-CG 3.35Å; L270-L273 PolarHBondContact O-N 3.37Å; L270-F278 HydrophobicContact CD1-CD2 3.96Å; L270-F278 HydrophobicContact CD1-CE2 4.13Å; L270-F278 HydrophobicContact CG-CD2 4.43Å; L270-F278 HydrophobicContact CG-CE2 4.45Å; L270-L281 HydrophobicContact CD1-CD2 3.55Å; L270-D348 HydrophobicContact CD2-CB 3.79Å; L270-I349 HydrophobicContact CD1-CG1 4.25Å; L270-I349 HydrophobicContact CD2-CG1 4.1Å; L270-D352 HydrophobicContact CD2-CB 4.26Å; L270-R356 PolarHBondContact O-NH2 3.48Å
271Q95.4Very high93.5Very high82 Ų8276.8 Ų76.838%0.38340%0.402SS..Hα-helixtrans-63.1-30.9178.2-74.8172.1-5.100113.2K267 K268 K269 L273 D352 R356K267-Q271 WeakPolarHBondContact O-CB 3.32Å; K267-Q271 VanDerWaalsContact O-CG 3.23Å; K267-Q271 WeakPolarHBondContact O-CG 3.41Å; K267-Q271 PolarHBondContact O-N 2.92Å; K268-Q271 PolarHBondContact O-N 3.21Å; K269-Q271 VanDerWaalsContact C-N 3.32Å; K269-Q271 PolarHBondContact O-N 3.01Å; Q271-L273 VanDerWaalsContact C-N 3.29Å; Q271-L273 PolarHBondContact O-N 2.96Å; Q271-D352 WeakPolarHBondContact CG-OD1 3.28Å; Q271-R356 PolarHBondContact O-NH2 3.23Å
272S96.4Very high94.2Very high96 Ų9671 Ų7167%0.67138%0.376SS*.Hα-helixtrans-74.7-11.9178.773.40000114.9K268 K269 L270K268-S272 PolarHBondContact O-N 2.85Å; K269-S272 PolarHBondContact O-N 3.06Å; K269-S272 PolarHBondContact O-OG 3.03Å; L270-S272 VanDerWaalsContact C-N 3.26Å; L270-S272 PolarHBondContact O-N 3.48Å
273L96.6Very high94.7Very high51 Ų5168.3 Ų68.327%0.26736%0.361SS..SBendtrans-65.8144176-60.9-177.9000111.5L270 Q271 L277 F278 L281 R356L270-L273 HydrophobicContact CD1-CD1 4.14Å; L270-L273 WeakPolarHBondContact O-CB 3.47Å; L270-L273 WeakPolarHBondContact O-CG 3.35Å; L270-L273 PolarHBondContact O-N 3.37Å; Q271-L273 VanDerWaalsContact C-N 3.29Å; Q271-L273 PolarHBondContact O-N 2.96Å; L273-L277 HydrophobicContact CB-CB 4.37Å; L273-L277 HydrophobicContact CD2-CB 4.46Å; L273-F278 HydrophobicContact CB-CB 4.2Å; L273-L281 HydrophobicContact CD1-CD2 3.89Å; L273-R356 PolarHBondContact O-NH1 3.42Å; L273-R356 PolarHBondContact O-NH2 3.08Å
274S96.8Very high95.4Very high61 Ų6167.6 Ų67.643%0.42735%0.353SS..  trans-62.7159.8164.567.30000110.7H276 L277 F278S274-H276 VanDerWaalsContact C-N 3.31Å; S274-H276 PolarHBondContact O-N 2.94Å; S274-L277 PolarHBondContact O-N 3.38Å; S274-L277 WeakPolarHBondContact OG-CG 3.3Å; S274-L277 PolarHBondContact OG-N 3.1Å; S274-F278 VanDerWaalsContact O-CB 3.3Å; S274-F278 WeakPolarHBondContact O-CB 3.48Å; S274-F278 PolarHBondContact O-N 3.23Å
275N95Very high95.9Very high87 Ų8764.9 Ų64.947%0.46534%0.342SS..Hα-helixtrans-56.5-46179.5-73.20.7000111.7L277 F278 E279 R356N275-L277 PolarHBondContact O-N 2.95Å; N275-F278 WeakPolarHBondContact O-CB 3.35Å; N275-F278 PolarHBondContact O-N 3.47Å; N275-E279 WeakPolarHBondContact O-CB 3.25Å; N275-E279 VanDerWaalsContact O-CG 3.23Å; N275-E279 WeakPolarHBondContact O-CG 3.1Å; N275-E279 PolarHBondContact O-N 2.85Å; N275-R356 PolarHBondContact OD1-NH1 3.23Å
276H95Very high96.3Very high115 Ų11564.1 Ų64.153%0.53233%0.33SS..Hα-helixtrans-55.8-51.9175.9175.737.9000113S274 F278 E279 E280S274-H276 VanDerWaalsContact C-N 3.31Å; S274-H276 PolarHBondContact O-N 2.94Å; H276-F278 VanDerWaalsContact C-N 3.29Å; H276-F278 PolarHBondContact O-N 3.5Å; H276-E279 PolarHBondContact O-N 3.47Å; H276-E280 IonicContact CE1-OE1 3.18Å; H276-E280 WeakPolarHBondContact O-CG 3.43Å; H276-E280 PolarHBondContact O-N 3.5Å
277L96.6Very high96.6Very high86 Ų8662 Ų6245%0.4531%0.311SS..Hα-helixtrans-68-29.4179.7-67175.4000112.7L273 S274 N275 L281L273-L277 HydrophobicContact CB-CB 4.37Å; L273-L277 HydrophobicContact CD2-CB 4.46Å; S274-L277 PolarHBondContact O-N 3.38Å; S274-L277 WeakPolarHBondContact OG-CG 3.3Å; S274-L277 PolarHBondContact OG-N 3.1Å; N275-L277 PolarHBondContact O-N 2.95Å; L277-L281 PolarHBondContact O-N 3.33Å
278F97.9Very high96.9Very high9 Ų959.2 Ų59.24%0.03930%0.299CS..Hα-helixtrans-68.8-43.5172170.9-97000111.8L270 L273 S274 N275 H276 E280 L281 A282 I349 D352 A353L270-F278 HydrophobicContact CD1-CD2 3.96Å; L270-F278 HydrophobicContact CD1-CE2 4.13Å; L270-F278 HydrophobicContact CG-CD2 4.43Å; L270-F278 HydrophobicContact CG-CE2 4.45Å; L273-F278 HydrophobicContact CB-CB 4.2Å; S274-F278 VanDerWaalsContact O-CB 3.3Å; S274-F278 WeakPolarHBondContact O-CB 3.48Å; S274-F278 PolarHBondContact O-N 3.23Å; N275-F278 WeakPolarHBondContact O-CB 3.35Å; N275-F278 PolarHBondContact O-N 3.47Å; H276-F278 VanDerWaalsContact C-N 3.29Å; H276-F278 PolarHBondContact O-N 3.5Å; F278-E280 VanDerWaalsContact C-N 3.35Å; F278-L281 PolarHBondContact O-N 3.04Å; F278-A282 VanDerWaalsContact O-CB 3.29Å; F278-A282 WeakPolarHBondContact O-CB 3.11Å; F278-A282 PolarHBondContact O-N 3.47Å; F278-I349 HydrophobicContact CE2-CB 4.41Å; F278-I349 HydrophobicContact CE2-CG1 4.26Å; F278-I349 HydrophobicContact CE2-CG2 4.15Å; F278-I349 HydrophobicContact CZ-CG2 3.91Å; F278-I349 WeakPolarHBondContact CZ-O 3.4Å; F278-D352 HydrophobicContact CD2-CB 4.26Å; F278-D352 HydrophobicContact CE2-CB 3.5Å; F278-D352 VanDerWaalsContact CE2-CB 3.5Å; F278-D352 HydrophobicContact CZ-CB 3.77Å; F278-A353 HydrophobicContact CE1-CB 4.01Å; F278-A353 HydrophobicContact CZ-CB 3.98Å
279E96.3Very high97.1Very high99 Ų9952.3 Ų52.346%0.46327%0.269SS..Hα-helixtrans-62.7-40.6175.2-71.8149.6-154.400111.3N275 H276 A282 M283N275-E279 WeakPolarHBondContact O-CB 3.25Å; N275-E279 VanDerWaalsContact O-CG 3.23Å; N275-E279 WeakPolarHBondContact O-CG 3.1Å; N275-E279 PolarHBondContact O-N 2.85Å; H276-E279 PolarHBondContact O-N 3.47Å; E279-A282 PolarHBondContact O-N 3.04Å; E279-M283 WeakPolarHBondContact O-CG 3.46Å; E279-M283 PolarHBondContact O-N 2.77Å
280E96.9Very high97.2Very high54 Ų5445.5 Ų45.525%0.25224%0.24SC..Hα-helixtrans-59-47.1173.5-63.2-130.2115.800112.4H276 F278 M283 D284 R327H276-E280 IonicContact CE1-OE1 3.18Å; H276-E280 WeakPolarHBondContact O-CG 3.43Å; H276-E280 PolarHBondContact O-N 3.5Å; F278-E280 VanDerWaalsContact C-N 3.35Å; E280-M283 PolarHBondContact O-N 2.66Å; E280-D284 VanDerWaalsContact O-CG 3.31Å; E280-D284 PolarHBondContact O-N 2.89Å; E280-R327 PolarHBondContact O-NH2 3.31Å; E280-R327 IonicContact OE1-CZ 3.99Å; E280-R327 IonicContact OE1-NH1 2.66Å; E280-R327 PolarHBondContact OE1-NH1 3.37Å; E280-R327 IonicContact OE1-NH2 2.73Å; E280-R327 IonicContact OE2-CZ 3.55Å; E280-R327 IonicContact OE2-NH1 2.83Å; E280-R327 PolarHBondContact OE2-NH1 3.42Å
281L98.2Very high97.2Very high51 Ų5146.2 Ų46.227%0.26724%0.242SC..Hα-helixtrans-67.1-38176.6177.459.9000112.1L270 L273 L277 F278 M283 D284 V285 I349L270-L281 HydrophobicContact CD1-CD2 3.55Å; L273-L281 HydrophobicContact CD1-CD2 3.89Å; L277-L281 PolarHBondContact O-N 3.33Å; F278-L281 PolarHBondContact O-N 3.04Å; L281-M283 VanDerWaalsContact C-N 3.35Å; L281-D284 PolarHBondContact O-N 3.04Å; L281-V285 HydrophobicContact CD1-CG2 4.26Å; L281-V285 WeakPolarHBondContact O-CG2 3.27Å; L281-V285 PolarHBondContact O-N 3.37Å; L281-I349 HydrophobicContact CG-CD1 4.46Å
282A98.3Very high97.2Very high4 Ų444.3 Ų44.33%0.03323%0.231CC..Hα-helixtrans-65.2-38.3176.900000111.6L226 F278 E279 Y286 I349L226-A282 HydrophobicContact CD1-CB 4.2Å; L226-A282 HydrophobicContact CD2-CB 4.02Å; F278-A282 VanDerWaalsContact O-CB 3.29Å; F278-A282 WeakPolarHBondContact O-CB 3.11Å; F278-A282 PolarHBondContact O-N 3.47Å; E279-A282 PolarHBondContact O-N 3.04Å; A282-Y286 VanDerWaalsContact O-CB 3.27Å; A282-Y286 WeakPolarHBondContact O-CB 3.27Å; A282-Y286 PolarHBondContact O-N 2.85Å; A282-I349 HydrophobicContact CB-CG2 4.03Å
283M97.7Very high97.2Very high82 Ų8241.6 Ų41.640%0.40421%0.208SC..Hα-helixtrans-66.4-41.7170.9-73-173.8-71.300112.2L226 E279 E280 L281 V285 Y286 D287L226-M283 HydrophobicContact CD1-CG 4.02Å; E279-M283 WeakPolarHBondContact O-CG 3.46Å; E279-M283 PolarHBondContact O-N 2.77Å; E280-M283 PolarHBondContact O-N 2.66Å; L281-M283 VanDerWaalsContact C-N 3.35Å; M283-V285 VanDerWaalsContact C-N 3.31Å; M283-V285 PolarHBondContact O-N 2.98Å; M283-Y286 PolarHBondContact O-N 3.33Å; M283-D287 PolarHBondContact O-N 3.48Å
284D98.4Very high97Very high13 Ų1339.8 Ų39.87%0.0720%0.199CC..Hα-helixtrans-65.1-34178.3-73.7-7.6000112.1E280 L281 E288 R327 R331 L334E280-D284 VanDerWaalsContact O-CG 3.31Å; E280-D284 PolarHBondContact O-N 2.89Å; L281-D284 PolarHBondContact O-N 3.04Å; D284-E288 PolarHBondContact O-N 3.45Å; D284-R327 IonicContact OD1-CZ 3.58Å; D284-R327 IonicContact OD1-NE 3.72Å; D284-R327 PolarHBondContact OD1-NE 2.9Å; D284-R327 IonicContact OD1-NH2 2.89Å; D284-R327 PolarHBondContact OD1-NH2 3.45Å; D284-R327 VanDerWaalsContact OD1-NH2 3.13Å; D284-R327 WeakPolarHBondContact OD2-CG 3.43Å; D284-R327 IonicContact OD2-CZ 3.13Å; D284-R327 IonicContact OD2-NE 3.78Å; D284-R327 PolarHBondContact OD2-NE 3.36Å; D284-R327 IonicContact OD2-NH2 3.96Å; D284-R331 HydrophobicContact CB-CG 3.74Å; D284-R331 WeakPolarHBondContact OD1-CD 3.23Å; D284-R331 IonicContact OD1-CZ 2.72Å; D284-R331 IonicContact OD1-NE 3.32Å; D284-R331 IonicContact OD1-NH1 2.76Å; D284-R331 PolarHBondContact OD1-NH1 2.89Å; D284-R331 VanDerWaalsContact OD2-CG 3.32Å; D284-R331 WeakPolarHBondContact OD2-CG 3.47Å; D284-L334 HydrophobicContact CB-CD1 4.42Å; D284-L334 VanDerWaalsContact O-CD1 3.24Å; D284-L334 WeakPolarHBondContact O-CD1 3.46Å
285V98.6Very high96.8Very high0 Ų038.5 Ų38.50%019%0.187CC..Hα-helixtrans-77.6-36.3173.2174.40000112.7L230 L281 M283 D287 E288 V289 L334 F342 L345 V346 I349L230-V285 HydrophobicContact CD2-CG1 4.1Å; L281-V285 HydrophobicContact CD1-CG2 4.26Å; L281-V285 WeakPolarHBondContact O-CG2 3.27Å; L281-V285 PolarHBondContact O-N 3.37Å; M283-V285 VanDerWaalsContact C-N 3.31Å; M283-V285 PolarHBondContact O-N 2.98Å; V285-D287 VanDerWaalsContact C-N 3.29Å; V285-D287 PolarHBondContact O-N 3.13Å; V285-E288 PolarHBondContact O-N 3.4Å; V285-V289 PolarHBondContact O-N 3.03Å; V285-L334 HydrophobicContact CG2-CD1 3.94Å; V285-L334 HydrophobicContact CG2-CD2 4.12Å; V285-F342 HydrophobicContact CG1-CE2 4.13Å; V285-F342 HydrophobicContact CG1-CZ 4.11Å; V285-L345 HydrophobicContact CG2-CD2 3.83Å; V285-L345 HydrophobicContact CG2-CG 4.35Å; V285-V346 HydrophobicContact CG1-CG2 3.75Å; V285-I349 HydrophobicContact CB-CD1 3.97Å; V285-I349 HydrophobicContact CG1-CD1 4.12Å; V285-I349 HydrophobicContact CG2-CD1 3.7Å
286Y98.6Very high96.7Very high26 Ų2637.3 Ų37.310%0.10219%0.19CC..Hα-helixtrans-59.4-40.8171.3173.8-85.5000111.7L226 R229 A282 M283 E288 V289 D290L226-Y286 HydrophobicContact CB-CD2 4.26Å; L226-Y286 HydrophobicContact CG-CD2 3.96Å; L226-Y286 HydrophobicContact CG-CG 4.2Å; R229-Y286 HydrophobicContact CB-CD2 4.15Å; R229-Y286 HydrophobicContact CB-CE2 3.7Å; R229-Y286 HydrophobicContact CG-CE2 4.12Å; R229-Y286 PolarHBondContact NH1-OH 3.33Å; R229-Y286 VanDerWaalsContact NH1-OH 3.08Å; A282-Y286 VanDerWaalsContact O-CB 3.27Å; A282-Y286 WeakPolarHBondContact O-CB 3.27Å; A282-Y286 PolarHBondContact O-N 2.85Å; M283-Y286 PolarHBondContact O-N 3.33Å; Y286-E288 PolarHBondContact O-N 3.04Å; Y286-V289 PolarHBondContact O-N 3.09Å; Y286-D290 PolarHBondContact O-N 3.14Å
287D98.3Very high96.5Very high12 Ų1232.9 Ų32.96%0.06417%0.17CC..Hα-helixtrans-62.3-40.3175.2-83.910.8000112.1R43 M283 V285 D290 R291 L317 R331R43-D287 VanDerWaalsContact CD-OD1 3.23Å; R43-D287 WeakPolarHBondContact CD-OD1 3.37Å; R43-D287 IonicContact CZ-OD1 3.5Å; R43-D287 IonicContact NE-OD1 2.74Å; R43-D287 IonicContact NH1-OD1 3.61Å; R43-D287 PolarHBondContact NH1-OD1 3.3Å; M283-D287 PolarHBondContact O-N 3.48Å; V285-D287 VanDerWaalsContact C-N 3.29Å; V285-D287 PolarHBondContact O-N 3.13Å; D287-D290 WeakPolarHBondContact O-CB 3.49Å; D287-D290 PolarHBondContact O-N 3.45Å; D287-R291 WeakPolarHBondContact O-CB 3.17Å; D287-R291 PolarHBondContact O-N 3.02Å; D287-L317 HydrophobicContact CB-CD1 3.86Å; D287-L317 HydrophobicContact CB-CD2 3.93Å; D287-R331 IonicContact OD2-CZ 2.75Å; D287-R331 VanDerWaalsContact OD2-CZ 3.23Å; D287-R331 IonicContact OD2-NH1 2.75Å; D287-R331 PolarHBondContact OD2-NH1 3.01Å; D287-R331 IonicContact OD2-NH2 2.69Å; D287-R331 PolarHBondContact OD2-NH2 2.59Å
288E98.3Very high96.2Very high0 Ų029.2 Ų29.20%015%0.15CC..Hα-helixtrans-70.7-32.9176.1178.260.7-165.600112.1D284 V285 Y286 R291 R292 L317 L334 A335 F342D284-E288 PolarHBondContact O-N 3.45Å; V285-E288 PolarHBondContact O-N 3.4Å; Y286-E288 PolarHBondContact O-N 3.04Å; E288-R291 PolarHBondContact O-N 3.02Å; E288-R291 IonicContact OE1-CZ 3.53Å; E288-R291 IonicContact OE1-NE 3.1Å; E288-R291 PolarHBondContact OE1-NE 2.72Å; E288-R291 IonicContact OE1-NH2 2.73Å; E288-R291 PolarHBondContact OE1-NH2 3.41Å; E288-R291 IonicContact OE2-CZ 2.8Å; E288-R291 IonicContact OE2-NE 3.15Å; E288-R291 PolarHBondContact OE2-NE 2.89Å; E288-R291 IonicContact OE2-NH2 3.39Å; E288-R292 HydrophobicContact CG-CG 4.43Å; E288-R292 WeakPolarHBondContact O-CB 3.02Å; E288-R292 VanDerWaalsContact O-CG 3.28Å; E288-R292 WeakPolarHBondContact O-CG 3.39Å; E288-R292 PolarHBondContact O-N 2.9Å; E288-R292 WeakPolarHBondContact OE1-CG 3.27Å; E288-R292 IonicContact OE1-CZ 2.77Å; E288-R292 IonicContact OE1-NE 2.85Å; E288-R292 PolarHBondContact OE1-NE 2.76Å; E288-R292 IonicContact OE1-NH2 3Å; E288-L317 HydrophobicContact CB-CD1 4.2Å; E288-L334 HydrophobicContact CB-CB 4.09Å; E288-L334 HydrophobicContact CB-CD1 4.15Å; E288-L334 HydrophobicContact CG-CB 3.9Å; E288-A335 WeakPolarHBondContact OE1-CA 3.27Å; E288-F342 HydrophobicContact CB-CE2 4.15Å; E288-F342 HydrophobicContact CB-CZ 4Å; E288-F342 HydrophobicContact CG-CE2 3.67Å; E288-F342 HydrophobicContact CG-CZ 3.64Å
289V98Very high95.7Very high0 Ų034.3 Ų34.30%018%0.178CC..Hα-helixtrans-61.9-48.6168.2165.50000110.6R229 L230 Y233 V285 Y286 R291 R292 E293 F342R229-V289 HydrophobicContact CG-CG1 4.09Å; L230-V289 HydrophobicContact CD2-CB 4.38Å; L230-V289 HydrophobicContact CD2-CG2 3.71Å; Y233-V289 HydrophobicContact CD1-CG2 3.97Å; Y233-V289 HydrophobicContact CD2-CG1 3.89Å; Y233-V289 HydrophobicContact CD2-CG2 4.34Å; Y233-V289 HydrophobicContact CE1-CG2 4.42Å; Y233-V289 HydrophobicContact CG-CG1 3.88Å; Y233-V289 HydrophobicContact CG-CG2 3.95Å; V285-V289 PolarHBondContact O-N 3.03Å; Y286-V289 PolarHBondContact O-N 3.09Å; V289-R291 VanDerWaalsContact C-N 3.28Å; V289-R291 PolarHBondContact O-N 2.89Å; V289-R292 PolarHBondContact O-N 3.21Å; V289-E293 HydrophobicContact CG1-CG 4.26Å; V289-E293 WeakPolarHBondContact O-CB 3.42Å; V289-E293 WeakPolarHBondContact O-CG 3.23Å; V289-E293 PolarHBondContact O-N 3.11Å; V289-F342 HydrophobicContact CG2-CE1 3.73Å; V289-F342 HydrophobicContact CG2-CZ 3.85Å
290D96.9Very high95.4Very high15 Ų1533.1 Ų33.18%0.0818%0.184CC..Hα-helixtrans-57-41175.8-174.872.7000111.7R43 R229 Y286 D287 T294R43-D290 WeakPolarHBondContact CD-OD2 3.47Å; R43-D290 IonicContact NE-OD2 2.71Å; R43-D290 PolarHBondContact NE-OD2 3.3Å; R229-D290 IonicContact CZ-OD1 3.77Å; R229-D290 IonicContact NH1-OD1 2.83Å; R229-D290 PolarHBondContact NH1-OD1 2.88Å; R229-D290 IonicContact NH2-OD1 2.74Å; R229-D290 PolarHBondContact NH2-OD1 3.21Å; Y286-D290 PolarHBondContact O-N 3.14Å; D287-D290 WeakPolarHBondContact O-CB 3.49Å; D287-D290 PolarHBondContact O-N 3.45Å; D290-T294 WeakPolarHBondContact O-CB 3.4Å; D290-T294 PolarHBondContact O-N 3.36Å; D290-T294 PolarHBondContact O-OG1 2.9Å
291R97Very high94.9Very high27 Ų2731.9 Ų31.910%0.10218%0.181CC..Hα-helixtrans-64.5-48.9175.5-162.7-162.266.966.214.1112.2D287 E288 V289 T294 D295 V314 F316 L317D287-R291 WeakPolarHBondContact O-CB 3.17Å; D287-R291 PolarHBondContact O-N 3.02Å; E288-R291 PolarHBondContact O-N 3.02Å; E288-R291 IonicContact OE1-CZ 3.53Å; E288-R291 IonicContact OE1-NE 3.1Å; E288-R291 PolarHBondContact OE1-NE 2.72Å; E288-R291 IonicContact OE1-NH2 2.73Å; E288-R291 PolarHBondContact OE1-NH2 3.41Å; E288-R291 IonicContact OE2-CZ 2.8Å; E288-R291 IonicContact OE2-NE 3.15Å; E288-R291 PolarHBondContact OE2-NE 2.89Å; E288-R291 IonicContact OE2-NH2 3.39Å; V289-R291 VanDerWaalsContact C-N 3.28Å; V289-R291 PolarHBondContact O-N 2.89Å; R291-T294 PolarHBondContact O-N 3.23Å; R291-D295 IonicContact CZ-OD2 2.64Å; R291-D295 IonicContact NH1-OD2 2.71Å; R291-D295 PolarHBondContact NH1-OD2 3.38Å; R291-D295 PolarHBondContact O-N 3.44Å; R291-V314 PolarHBondContact NH1-O 3.12Å; R291-F316 VanDerWaalsContact CD-C 3.49Å; R291-L317 HydrophobicContact CB-CD2 3.99Å; R291-L317 HydrophobicContact CG-CD2 4.38Å
292R96.4Very high93.7Very high42 Ų4231.5 Ų31.516%0.15818%0.177CC..Hα-helixtrans-64.9-43.1-179.2-73.5177.4-176.2-141.5-0.6112.2Y233 E288 V289 D295 A296 L334 F337Y233-R292 HydrophobicContact CE2-CB 4.25Å; Y233-R292 WeakPolarHBondContact OH-CD 3.34Å; E288-R292 HydrophobicContact CG-CG 4.43Å; E288-R292 WeakPolarHBondContact O-CB 3.02Å; E288-R292 VanDerWaalsContact O-CG 3.28Å; E288-R292 WeakPolarHBondContact O-CG 3.39Å; E288-R292 PolarHBondContact O-N 2.9Å; E288-R292 WeakPolarHBondContact OE1-CG 3.27Å; E288-R292 IonicContact OE1-CZ 2.77Å; E288-R292 IonicContact OE1-NE 2.85Å; E288-R292 PolarHBondContact OE1-NE 2.76Å; E288-R292 IonicContact OE1-NH2 3Å; V289-R292 PolarHBondContact O-N 3.21Å; R292-D295 PolarHBondContact O-N 3.17Å; R292-A296 PolarHBondContact O-N 2.93Å; R292-A296 VanDerWaalsContact O-N 3.1Å; R292-L334 PolarHBondContact NH2-O 2.77Å; R292-F337 PolarHBondContact NH1-O 3.38Å; R292-F337 PolarHBondContact NH2-O 2.86Å
293E94.6Very high92.1Very high39 Ų3937.2 Ų37.218%0.18221%0.207CC..Hα-helixtrans-63.6-43.2173.7-71.2-178.4153.700111.5R229 Y233 V289 D295 A296 V297R229-E293 IonicContact CZ-OE2 3.56Å; R229-E293 IonicContact NE-OE2 3.22Å; R229-E293 PolarHBondContact NE-OE2 2.75Å; R229-E293 IonicContact NH2-OE2 3.72Å; R229-E293 PolarHBondContact NH2-OE2 3.04Å; Y233-E293 HydrophobicContact CD2-CG 4.01Å; V289-E293 HydrophobicContact CG1-CG 4.26Å; V289-E293 WeakPolarHBondContact O-CB 3.42Å; V289-E293 WeakPolarHBondContact O-CG 3.23Å; V289-E293 PolarHBondContact O-N 3.11Å; E293-D295 PolarHBondContact O-N 2.91Å; E293-A296 PolarHBondContact O-N 3.33Å; E293-V297 WeakPolarHBondContact O-CG2 3.27Å; E293-V297 PolarHBondContact O-N 3.15Å
294T93.9Very high90Very high14 Ų1442.2 Ų42.29%0.08623%0.23CC..Hα-helixtrans-67.4-35.5179.1-57.40000112.1W21 R39 D290 R291 W298W21-T294 HydrophobicContact CH2-CG2 4.22Å; W21-T294 HydrophobicContact CZ3-CG2 3.94Å; R39-T294 HydrophobicContact CG-CG2 4.32Å; R39-T294 VanDerWaalsContact NE-CG2 3.33Å; D290-T294 WeakPolarHBondContact O-CB 3.4Å; D290-T294 PolarHBondContact O-N 3.36Å; D290-T294 PolarHBondContact O-OG1 2.9Å; R291-T294 PolarHBondContact O-N 3.23Å; T294-W298 WeakPolarHBondContact O-CB 3.22Å; T294-W298 PolarHBondContact O-N 2.71Å
295D92.1Very high87.7Confident34 Ų3446.9 Ų46.918%0.18226%0.263CS..Hα-helixtrans-61.3-45.9170-99.2-18.8000111.6R39 R291 R292 E293 V297 W298 L299R39-D295 IonicContact CZ-OD1 3.02Å; R39-D295 IonicContact NH1-OD1 2.79Å; R39-D295 PolarHBondContact NH1-OD1 2.99Å; R39-D295 IonicContact NH2-OD1 3.49Å; R39-D295 PolarHBondContact NH2-OD1 2.94Å; R291-D295 IonicContact CZ-OD2 2.64Å; R291-D295 IonicContact NH1-OD2 2.71Å; R291-D295 PolarHBondContact NH1-OD2 3.38Å; R291-D295 PolarHBondContact O-N 3.44Å; R292-D295 PolarHBondContact O-N 3.17Å; E293-D295 PolarHBondContact O-N 2.91Å; D295-V297 PolarHBondContact O-N 3.14Å; D295-W298 PolarHBondContact O-N 2.82Å; D295-L299 WeakPolarHBondContact O-CB 3.34Å; D295-L299 WeakPolarHBondContact O-CG 3.42Å; D295-L299 PolarHBondContact O-N 2.75Å
296A92.1Very high85.6Confident62 Ų6249.1 Ų49.151%0.51228%0.282SS..Hα-helixtrans-63.1-41.2179.200000112.2R292 E293 A300R292-A296 PolarHBondContact O-N 2.93Å; R292-A296 VanDerWaalsContact O-N 3.1Å; E293-A296 PolarHBondContact O-N 3.33Å; A296-A300 WeakPolarHBondContact O-CB 3.35Å; A296-A300 PolarHBondContact O-N 3.43Å; A296-A300 VanDerWaalsContact O-N 3.15Å
297V92.4Very high83.4Confident21 Ų2154.7 Ų54.713%0.12731%0.313CS..Hα-helixtrans-65.5-46.6173.4174.80000110.9W21 H50 H53 T54 E293 D295 L299 A300 T301W21-V297 HydrophobicContact CH2-CB 4.24Å; W21-V297 HydrophobicContact CH2-CG1 3.68Å; W21-V297 HydrophobicContact CZ2-CG1 4.23Å; W21-V297 HydrophobicContact CZ3-CG1 4.34Å; H50-V297 HydrophobicContact CB-CG1 3.75Å; H53-V297 HydrophobicContact CB-CG1 3.75Å; T54-V297 HydrophobicContact CG2-CG2 4Å; E293-V297 WeakPolarHBondContact O-CG2 3.27Å; E293-V297 PolarHBondContact O-N 3.15Å; D295-V297 PolarHBondContact O-N 3.14Å; V297-L299 PolarHBondContact O-N 2.92Å; V297-A300 CarbonylContact O-C 3.5Å; V297-A300 WeakPolarHBondContact O-CA 3.16Å; V297-A300 PolarHBondContact O-N 3.24Å; V297-T301 HydrophobicContact CG1-CG2 4.18Å; V297-T301 WeakPolarHBondContact O-CG2 3.49Å; V297-T301 PolarHBondContact O-N 2.74Å; V297-T301 PolarHBondContact O-OG1 3.19Å
298W89.6Confident81.4Confident9 Ų957.3 Ų57.33%0.03433%0.329CS..Hα-helixtrans-56.7-46.5179.1179.6-99.5000112.2W21 D32 C35 R39 T294 D295 A300 T301 Q302W21-W298 HydrophobicContact CH2-CE3 4.38Å; W21-W298 AromaticContact CZ2-CE3 3.76Å; W21-W298 HydrophobicContact CZ2-CE3 3.76Å; W21-W298 HydrophobicContact CZ2-CZ3 4.41Å; D32-W298 HydrophobicContact CB-CH2 4.42Å; D32-W298 HydrophobicContact CB-CZ3 4.25Å; D32-W298 VanDerWaalsContact O-CH2 3.26Å; D32-W298 WeakPolarHBondContact O-CH2 3.36Å; D32-W298 WeakPolarHBondContact O-CZ3 3.42Å; C35-W298 HydrophobicContact CB-CZ3 4.16Å; R39-W298 VanDerWaalsContact NH1-CG 3.29Å; T294-W298 WeakPolarHBondContact O-CB 3.22Å; T294-W298 PolarHBondContact O-N 2.71Å; D295-W298 PolarHBondContact O-N 2.82Å; W298-A300 VanDerWaalsContact C-N 3.28Å; W298-A300 PolarHBondContact O-N 2.98Å; W298-T301 PolarHBondContact O-N 2.9Å; W298-Q302 HydrophobicContact CD2-CG 4.18Å; W298-Q302 HydrophobicContact CG-CG 4.42Å; W298-Q302 HydrophobicContact CZ2-CG 4.24Å; W298-Q302 WeakPolarHBondContact O-CB 3.39Å; W298-Q302 VanDerWaalsContact O-CG 3.25Å; W298-Q302 WeakPolarHBondContact O-CG 3.2Å; W298-Q302 PolarHBondContact O-N 3.05Å
299L87.9Confident79.5Confident117 Ų11760.8 Ų60.861%0.61335%0.35SS*.Hα-helixtrans-67.1-26.8176.2-68.4171.3000113.1D295 V297 V308D295-L299 WeakPolarHBondContact O-CB 3.34Å; D295-L299 WeakPolarHBondContact O-CG 3.42Å; D295-L299 PolarHBondContact O-N 2.75Å; V297-L299 PolarHBondContact O-N 2.92Å; L299-V308 HydrophobicContact CD2-CG2 4.44Å
300A88.9Confident77.5Confident73 Ų7369.7 Ų69.760%0.60339%0.392SS*.Hα-helixtrans-83.5-1917700000114.1A296 V297 W298A296-A300 WeakPolarHBondContact O-CB 3.35Å; A296-A300 PolarHBondContact O-N 3.43Å; A296-A300 VanDerWaalsContact O-N 3.15Å; V297-A300 CarbonylContact O-C 3.5Å; V297-A300 WeakPolarHBondContact O-CA 3.16Å; V297-A300 PolarHBondContact O-N 3.24Å; W298-A300 VanDerWaalsContact C-N 3.28Å; W298-A300 PolarHBondContact O-N 2.98Å
301T86.3Confident75.8Confident29 Ų2972.9 Ų72.918%0.17841%0.412CS..Hα-helixtrans-107.6-14.1-178.863.40000114H53 V297 W298H53-T301 HydrophobicContact CB-CG2 4.2Å; V297-T301 HydrophobicContact CG1-CG2 4.18Å; V297-T301 WeakPolarHBondContact O-CG2 3.49Å; V297-T301 PolarHBondContact O-N 2.74Å; V297-T301 PolarHBondContact O-OG1 3.19Å; W298-T301 PolarHBondContact O-N 2.9Å
302Q74.4Confident74.5Confident42 Ų4272.4 Ų72.420%0.19641%0.412CS..  trans-73.1126.1174.7-79.7-63.3-12.100112.4W298W298-Q302 HydrophobicContact CD2-CG 4.18Å; W298-Q302 HydrophobicContact CG-CG 4.42Å; W298-Q302 HydrophobicContact CZ2-CG 4.24Å; W298-Q302 WeakPolarHBondContact O-CB 3.39Å; W298-Q302 VanDerWaalsContact O-CG 3.25Å; W298-Q302 WeakPolarHBondContact O-CG 3.2Å; W298-Q302 PolarHBondContact O-N 3.05Å
303N64.8Low73.7Confident124 Ų12473.6 Ų73.666%0.66342%0.424SS*.  trans-70.8137.8168.1-74.2-59000109.6S305 A306N303-S305 PolarHBondContact O-N 3.32Å; N303-A306 PolarHBondContact O-N 2.65Å
304H53Low73.2Confident188 Ų18872.2 Ų72.287%0.8742%0.418SS*.THydrogen-bonded Turntrans-55.7-16.6-177.7-62.2-62.7000115.7
305S50.7Low73Confident110 Ų11075 Ų7577%0.76944%0.437SS*.THydrogen-bonded Turntrans-73.9-29.6172.753.40000113.8N303 L307N303-S305 PolarHBondContact O-N 3.32Å; S305-L307 PolarHBondContact O-N 3.48Å; S305-L307 VanDerWaalsContact O-N 3.11Å
306A53.7Low73.2Confident47 Ų4778 Ų7839%0.38845%0.448SS..SBendtrans-85.370.7171.800000108.5N303 V308N303-A306 PolarHBondContact O-N 2.65Å; A306-V308 PolarHBondContact O-N 2.98Å
307L52.3Low73.4Confident144 Ų14475.4 Ų75.475%0.75443%0.425SS*.  trans-49.8131.7176.6-78.2167000110.3S305 T309S305-L307 PolarHBondContact O-N 3.48Å; S305-L307 VanDerWaalsContact O-N 3.11Å; L307-T309 VanDerWaalsContact C-N 3.31Å; L307-T309 PolarHBondContact O-N 2.9Å
308V55.3Low73.6Confident67 Ų6775.3 Ų75.341%0.40643%0.425SS..  trans-66.791.4175.2179.10000108.3L299 A306 V313L299-V308 HydrophobicContact CD2-CG2 4.44Å; A306-V308 PolarHBondContact O-N 2.98Å; V308-V313 HydrophobicContact CG1-CG2 3.48Å; V308-V313 VanDerWaalsContact CG1-CG2 3.48Å
309T60Low74Confident73 Ų7379 Ų7945%0.44845%0.448SS..  trans-69.7148.8172.658.40000109.3L307 T311 T312L307-T309 VanDerWaalsContact C-N 3.31Å; L307-T309 PolarHBondContact O-N 2.9Å; T309-T311 PolarHBondContact O-N 3.34Å; T309-T311 PolarHBondContact OG1-OG1 2.95Å; T309-T312 PolarHBondContact N-OG1 3.45Å; T309-T312 PolarHBondContact O-N 3.34Å; T309-T312 PolarHBondContact O-OG1 3Å
310E54.9Low74.3Confident186 Ų18673.8 Ų73.887%0.86942%0.421SS*.G310 helixtrans-50.6-34.5-179.8-60.5-178142.200112.6T312 V313E310-T312 PolarHBondContact O-N 3.42Å; E310-T312 VanDerWaalsContact O-N 3.15Å; E310-V313 PolarHBondContact O-N 3.4Å
311T61.9Low74.6Confident83 Ų8374.5 Ų74.551%0.50942%0.42SS..G310 helixtrans-65.8-9.7177.264.80000115.4H100 T309H100-T311 PolarHBondContact CD2-OG1 3.4Å; H100-T311 PolarHBondContact NE2-OG1 3.1Å; T309-T311 PolarHBondContact O-N 3.34Å; T309-T311 PolarHBondContact OG1-OG1 2.95Å
312T70.3Confident74.8Confident17 Ų1780.2 Ų80.210%0.10444%0.444CS..G310 helixtrans-112.2-6.2-178.362.70000114T309 E310T309-T312 PolarHBondContact N-OG1 3.45Å; T309-T312 PolarHBondContact O-N 3.34Å; T309-T312 PolarHBondContact O-OG1 3Å; E310-T312 PolarHBondContact O-N 3.42Å; E310-T312 VanDerWaalsContact O-N 3.15Å
313V77.9Confident75.7Confident67 Ų6781.5 Ų81.541%0.40645%0.448SS..  trans-80.9137.2176.2-171.10000109.4V308 E310 P315V308-V313 HydrophobicContact CG1-CG2 3.48Å; V308-V313 VanDerWaalsContact CG1-CG2 3.48Å; E310-V313 PolarHBondContact O-N 3.4Å; V313-P315 HydrophobicContact CG1-CB 4.21Å; V313-P315 WeakPolarHBondContact O-CD 3.44Å
314V84.9Confident77Confident10 Ų1077.8 Ų77.86%0.06143%0.432CS..  trans-118.975173.4-174.90000108R39 R291 F316 P318R39-V314 HydrophobicContact CB-CG2 3.96Å; R291-V314 PolarHBondContact NH1-O 3.12Å; V314-F316 WeakPolarHBondContact CG1-O 3.45Å; V314-F316 PolarHBondContact O-N 3.12Å; V314-P318 HydrophobicContact CG1-CG 3.84Å
315P90Very high78.9Confident73 Ų7373 Ų7347%0.47442%0.419SS..  trans-72.2-16.3-164.730-35.8000113.6V313 A335V313-P315 HydrophobicContact CG1-CB 4.21Å; V313-P315 WeakPolarHBondContact O-CD 3.44Å; P315-A335 WeakPolarHBondContact O-CB 3.38Å
316F95.9Very high81Confident97 Ų9772.8 Ų72.843%0.42541%0.414SS..SBendtrans-148.3168.8175.447.6-109.2000109.3R291 V314 P318 Q332 A335R291-F316 VanDerWaalsContact CD-C 3.49Å; V314-F316 WeakPolarHBondContact CG1-O 3.45Å; V314-F316 PolarHBondContact O-N 3.12Å; F316-P318 WeakPolarHBondContact O-CD 3.47Å; F316-Q332 HydrophobicContact CB-CB 4.35Å; F316-Q332 HydrophobicContact CB-CG 4.29Å; F316-Q332 HydrophobicContact CD2-CB 4.44Å; F316-Q332 HydrophobicContact CD2-CG 3.74Å; F316-Q332 HydrophobicContact CE2-CG 4.44Å; F316-Q332 HydrophobicContact CG-CB 4.47Å; F316-Q332 HydrophobicContact CG-CG 4.22Å; F316-A335 HydrophobicContact CB-CB 3.64Å
317L97Very high83Confident6 Ų672 Ų723%0.03140%0.401CS..PPolyproline II helixtrans-58.9127.8-179.8-71.8173.7000112.4D287 E288 R291 R331 Q332D287-L317 HydrophobicContact CB-CD1 3.86Å; D287-L317 HydrophobicContact CB-CD2 3.93Å; E288-L317 HydrophobicContact CB-CD1 4.2Å; R291-L317 HydrophobicContact CB-CD2 3.99Å; R291-L317 HydrophobicContact CG-CD2 4.38Å; L317-R331 HydrophobicContact CB-CB 4.36Å; L317-R331 HydrophobicContact CD1-CB 3.87Å; L317-R331 HydrophobicContact CD1-CG 4.37Å; L317-Q332 VanDerWaalsContact O-CG 3.29Å; L317-Q332 WeakPolarHBondContact O-CG 3.4Å; L317-Q332 PolarHBondContact O-NE2 3.28Å; L317-Q332 VanDerWaalsContact O-NE2 3.07Å
318P96.8Very high85.1Confident20 Ų2065.7 Ų65.713%0.1337%0.368CS..PPolyproline II helixtrans-56.3146.9172.4-27.636.4000112.5S40 V314 F316 N320S40-P318 WeakPolarHBondContact O-CB 3.47Å; V314-P318 HydrophobicContact CG1-CG 3.84Å; F316-P318 WeakPolarHBondContact O-CD 3.47Å; P318-N320 PolarHBondContact O-N 3.36Å
319V96.4Very high87Confident85 Ų8567.7 Ų67.752%0.51537%0.372SS..PPolyproline II helixtrans-64.2128.6177.41780000109.6H44 N328H44-V319 PolarHBondContact CE1-O 3.31Å; V319-N328 WeakPolarHBondContact CA-OD1 3.48Å
320N95.9Very high88.8Confident8 Ų865.8 Ų65.84%0.04337%0.368CS..PPolyproline II helixtrans-93.4118.8165.81809000108.8H44 P318 E322 Y323 N328H44-N320 PolarHBondContact CD2-OD1 3Å; P318-N320 PolarHBondContact O-N 3.36Å; N320-E322 PolarHBondContact O-N 3.08Å; N320-E322 PolarHBondContact OD1-N 2.83Å; N320-E322 VanDerWaalsContact OD1-N 3.14Å; N320-Y323 HydrophobicContact CB-CD2 3.6Å; N320-Y323 HydrophobicContact CB-CE2 4.09Å; N320-Y323 HydrophobicContact CB-CG 3.97Å; N320-Y323 WeakPolarHBondContact ND2-CD1 3.33Å; N320-Y323 WeakPolarHBondContact ND2-CD2 3.39Å; N320-Y323 WeakPolarHBondContact ND2-CE1 3.41Å; N320-Y323 WeakPolarHBondContact ND2-CE2 3.36Å; N320-Y323 PolarHBondContact O-N 3.05Å; N320-Y323 VanDerWaalsContact O-N 3.14Å; N320-N328 PolarHBondContact N-OD1 2.91Å; N320-N328 PolarHBondContact O-ND2 2.65Å
321P93.8Very high90.8Very high88 Ų8857.3 Ų57.357%0.57133%0.328SS*.THydrogen-bonded Turntrans-58.2-27177.1-25.335.7000114.3H44 Y323H44-P321 WeakPolarHBondContact NE2-CD 3.31Å; P321-Y323 VanDerWaalsContact C-N 3.26Å; P321-Y323 PolarHBondContact O-N 3.24Å
322E90.4Very high92.5Very high149 Ų14955.8 Ų55.870%0.69632%0.315SS*.THydrogen-bonded Turntrans-81.7-2.2-179.2-48.4-44132.700113.5N320N320-E322 PolarHBondContact O-N 3.08Å; N320-E322 PolarHBondContact OD1-N 2.83Å; N320-E322 VanDerWaalsContact OD1-N 3.14Å
323Y93.5Very high93.8Very high69 Ų6959.7 Ų59.727%0.27133%0.33SS..SBendtrans-106.9143.3177.2-68.4-16.6000111.5N320 P321 R327 N328N320-Y323 HydrophobicContact CB-CD2 3.6Å; N320-Y323 HydrophobicContact CB-CE2 4.09Å; N320-Y323 HydrophobicContact CB-CG 3.97Å; N320-Y323 WeakPolarHBondContact ND2-CD1 3.33Å; N320-Y323 WeakPolarHBondContact ND2-CD2 3.39Å; N320-Y323 WeakPolarHBondContact ND2-CE1 3.41Å; N320-Y323 WeakPolarHBondContact ND2-CE2 3.36Å; N320-Y323 PolarHBondContact O-N 3.05Å; N320-Y323 VanDerWaalsContact O-N 3.14Å; P321-Y323 VanDerWaalsContact C-N 3.26Å; P321-Y323 PolarHBondContact O-N 3.24Å; Y323-R327 HydrophobicContact CD2-CG 4.38Å; Y323-R327 HydrophobicContact CG-CG 4.47Å; Y323-N328 WeakPolarHBondContact CB-ND2 3.33Å; Y323-N328 PolarHBondContact O-ND2 3.43Å
324S93.1Very high94.8Very high47 Ų4757 Ų5733%0.32931%0.314SS..  trans-55.7154.7174.766.60000112.1T326 R327 N328 E648S324-T326 PolarHBondContact O-N 2.58Å; S324-R327 PolarHBondContact O-N 3.22Å; S324-R327 VanDerWaalsContact O-N 3.12Å; S324-R327 PolarHBondContact OG-N 3.19Å; S324-N328 PolarHBondContact O-N 3.14Å; S324-N328 PolarHBondContact O-ND2 3.45Å; S324-E648 VanDerWaalsContact CB-OE1 3.26Å; S324-E648 WeakPolarHBondContact CB-OE1 3.35Å
325S92.5Very high95.4Very high87 Ų8757.9 Ų57.961%0.60832%0.322SS*.Hα-helixtrans-57.5-36.6177.761.70000112.1Q329S325-Q329 WeakPolarHBondContact O-CB 3.46Å; S325-Q329 PolarHBondContact O-N 3.04Å
326T93.8Very high95.6Very high105 Ų10564.5 Ų64.564%0.64434%0.337SS*.Hα-helixtrans-62.1-46.7174.7-52.10000112.2S324 Q329 G330S324-T326 PolarHBondContact O-N 2.58Å; T326-Q329 PolarHBondContact O-N 3.21Å; T326-G330 PolarHBondContact O-N 3.5Å
327R96.3Very high95.7Very high32 Ų3263.2 Ų63.212%0.12133%0.332CS..Hα-helixtrans-68.7-42.7179.5-175.1174.7-177.3175.82.8112.1E280 D284 Y323 S324 Q329 G330 R331E280-R327 PolarHBondContact O-NH2 3.31Å; E280-R327 IonicContact OE1-CZ 3.99Å; E280-R327 IonicContact OE1-NH1 2.66Å; E280-R327 PolarHBondContact OE1-NH1 3.37Å; E280-R327 IonicContact OE1-NH2 2.73Å; E280-R327 IonicContact OE2-CZ 3.55Å; E280-R327 IonicContact OE2-NH1 2.83Å; E280-R327 PolarHBondContact OE2-NH1 3.42Å; D284-R327 IonicContact OD1-CZ 3.58Å; D284-R327 IonicContact OD1-NE 3.72Å; D284-R327 PolarHBondContact OD1-NE 2.9Å; D284-R327 IonicContact OD1-NH2 2.89Å; D284-R327 PolarHBondContact OD1-NH2 3.45Å; D284-R327 VanDerWaalsContact OD1-NH2 3.13Å; D284-R327 WeakPolarHBondContact OD2-CG 3.43Å; D284-R327 IonicContact OD2-CZ 3.13Å; D284-R327 IonicContact OD2-NE 3.78Å; D284-R327 PolarHBondContact OD2-NE 3.36Å; D284-R327 IonicContact OD2-NH2 3.96Å; Y323-R327 HydrophobicContact CD2-CG 4.38Å; Y323-R327 HydrophobicContact CG-CG 4.47Å; S324-R327 PolarHBondContact O-N 3.22Å; S324-R327 VanDerWaalsContact O-N 3.12Å; S324-R327 PolarHBondContact OG-N 3.19Å; R327-Q329 VanDerWaalsContact C-N 3.3Å; R327-Q329 PolarHBondContact O-N 3Å; R327-G330 PolarHBondContact O-N 2.65Å; R327-G330 VanDerWaalsContact O-N 3.12Å; R327-R331 WeakPolarHBondContact O-CG 3.35Å; R327-R331 PolarHBondContact O-N 3.1Å
328N96.3Very high95.5Very high11 Ų1166.7 Ų66.76%0.05935%0.351CS..Hα-helixtrans-58.3-42.3173.1-84.1-60.2000111.9V319 N320 Y323 S324 R331 Q332V319-N328 WeakPolarHBondContact CA-OD1 3.48Å; N320-N328 PolarHBondContact N-OD1 2.91Å; N320-N328 PolarHBondContact O-ND2 2.65Å; Y323-N328 WeakPolarHBondContact CB-ND2 3.33Å; Y323-N328 PolarHBondContact O-ND2 3.43Å; S324-N328 PolarHBondContact O-N 3.14Å; S324-N328 PolarHBondContact O-ND2 3.45Å; N328-R331 PolarHBondContact O-N 3.48Å; N328-Q332 WeakPolarHBondContact O-CB 3.34Å; N328-Q332 WeakPolarHBondContact O-CG 3.45Å; N328-Q332 PolarHBondContact O-N 3.37Å
329Q96.1Very high95.3Very high108 Ų10869.6 Ų69.651%0.50538%0.376SS..Hα-helixtrans-65-38.5174.2-167-166.491.600112.3S325 T326 R327 Q332 K333S325-Q329 WeakPolarHBondContact O-CB 3.46Å; S325-Q329 PolarHBondContact O-N 3.04Å; T326-Q329 PolarHBondContact O-N 3.21Å; R327-Q329 VanDerWaalsContact C-N 3.3Å; R327-Q329 PolarHBondContact O-N 3Å; Q329-Q332 PolarHBondContact O-N 3.49Å; Q329-K333 HydrophobicContact CG-CD 4.32Å; Q329-K333 WeakPolarHBondContact O-CB 3.44Å; Q329-K333 VanDerWaalsContact O-CG 3.3Å; Q329-K333 WeakPolarHBondContact O-CG 3.41Å; Q329-K333 PolarHBondContact O-N 3.42Å; Q329-K333 VanDerWaalsContact OE1-CE 3.32Å
330G96.9Very high95.1Very high34 Ų3470.4 Ų70.435%0.35137%0.374SS..Hα-helixtrans-59-53.217400000112.1T326 R327 Q332 K333 L334T326-G330 PolarHBondContact O-N 3.5Å; R327-G330 PolarHBondContact O-N 2.65Å; R327-G330 VanDerWaalsContact O-N 3.12Å; G330-Q332 VanDerWaalsContact C-N 3.31Å; G330-Q332 PolarHBondContact O-N 2.99Å; G330-K333 WeakPolarHBondContact O-CB 3.17Å; G330-K333 PolarHBondContact O-N 2.8Å; G330-K333 VanDerWaalsContact O-N 3.1Å; G330-L334 PolarHBondContact O-N 3.34Å
331R98Very high94.9Very high8 Ų874.3 Ų74.33%0.0339%0.392CS..Hα-helixtrans-53.3-45.1174.6-72.9166.161.883.84.5112.2D284 D287 L317 R327 N328 L334D284-R331 HydrophobicContact CB-CG 3.74Å; D284-R331 WeakPolarHBondContact OD1-CD 3.23Å; D284-R331 IonicContact OD1-CZ 2.72Å; D284-R331 IonicContact OD1-NE 3.32Å; D284-R331 IonicContact OD1-NH1 2.76Å; D284-R331 PolarHBondContact OD1-NH1 2.89Å; D284-R331 VanDerWaalsContact OD2-CG 3.32Å; D284-R331 WeakPolarHBondContact OD2-CG 3.47Å; D287-R331 IonicContact OD2-CZ 2.75Å; D287-R331 VanDerWaalsContact OD2-CZ 3.23Å; D287-R331 IonicContact OD2-NH1 2.75Å; D287-R331 PolarHBondContact OD2-NH1 3.01Å; D287-R331 IonicContact OD2-NH2 2.69Å; D287-R331 PolarHBondContact OD2-NH2 2.59Å; L317-R331 HydrophobicContact CB-CB 4.36Å; L317-R331 HydrophobicContact CD1-CB 3.87Å; L317-R331 HydrophobicContact CD1-CG 4.37Å; R327-R331 WeakPolarHBondContact O-CG 3.35Å; R327-R331 PolarHBondContact O-N 3.1Å; N328-R331 PolarHBondContact O-N 3.48Å; R331-L334 WeakPolarHBondContact O-CB 3.43Å; R331-L334 PolarHBondContact O-N 2.96Å
332Q97.4Very high95.1Very high50 Ų5070.1 Ų70.123%0.23437%0.365CS..Hα-helixtrans-72.1-27.2179.3-71.4176.7-12.100113.9F316 L317 N328 Q329 G330 L334 A335F316-Q332 HydrophobicContact CB-CB 4.35Å; F316-Q332 HydrophobicContact CB-CG 4.29Å; F316-Q332 HydrophobicContact CD2-CB 4.44Å; F316-Q332 HydrophobicContact CD2-CG 3.74Å; F316-Q332 HydrophobicContact CE2-CG 4.44Å; F316-Q332 HydrophobicContact CG-CB 4.47Å; F316-Q332 HydrophobicContact CG-CG 4.22Å; L317-Q332 VanDerWaalsContact O-CG 3.29Å; L317-Q332 WeakPolarHBondContact O-CG 3.4Å; L317-Q332 PolarHBondContact O-NE2 3.28Å; L317-Q332 VanDerWaalsContact O-NE2 3.07Å; N328-Q332 WeakPolarHBondContact O-CB 3.34Å; N328-Q332 WeakPolarHBondContact O-CG 3.45Å; N328-Q332 PolarHBondContact O-N 3.37Å; Q329-Q332 PolarHBondContact O-N 3.49Å; G330-Q332 VanDerWaalsContact C-N 3.31Å; G330-Q332 PolarHBondContact O-N 2.99Å; Q332-L334 VanDerWaalsContact C-N 3.29Å; Q332-L334 PolarHBondContact O-N 2.89Å; Q332-A335 PolarHBondContact O-N 3.47Å
333K97.8Very high95.3Very high100 Ų10063.6 Ų63.644%0.43534%0.336SS..Hα-helixtrans-66.6-27.8173.3-80.5165.3166.5173.50112.7Q329 G330 A335 R336 F337Q329-K333 HydrophobicContact CG-CD 4.32Å; Q329-K333 WeakPolarHBondContact O-CB 3.44Å; Q329-K333 VanDerWaalsContact O-CG 3.3Å; Q329-K333 WeakPolarHBondContact O-CG 3.41Å; Q329-K333 PolarHBondContact O-N 3.42Å; Q329-K333 VanDerWaalsContact OE1-CE 3.32Å; G330-K333 WeakPolarHBondContact O-CB 3.17Å; G330-K333 PolarHBondContact O-N 2.8Å; G330-K333 VanDerWaalsContact O-N 3.1Å; K333-A335 PolarHBondContact O-N 2.84Å; K333-R336 WeakPolarHBondContact O-CB 3.32Å; K333-R336 PolarHBondContact O-N 3.32Å; K333-F337 WeakPolarHBondContact O-CD1 3.49Å
334L97.8Very high95.3Very high11 Ų1161.9 Ų61.96%0.05833%0.333CS..G310 helixtrans-59.6-30.5177.3-59.7175.3000113D284 V285 E288 R292 G330 R331 Q332 R336 F337 L345D284-L334 HydrophobicContact CB-CD1 4.42Å; D284-L334 VanDerWaalsContact O-CD1 3.24Å; D284-L334 WeakPolarHBondContact O-CD1 3.46Å; V285-L334 HydrophobicContact CG2-CD1 3.94Å; V285-L334 HydrophobicContact CG2-CD2 4.12Å; E288-L334 HydrophobicContact CB-CB 4.09Å; E288-L334 HydrophobicContact CB-CD1 4.15Å; E288-L334 HydrophobicContact CG-CB 3.9Å; R292-L334 PolarHBondContact NH2-O 2.77Å; G330-L334 PolarHBondContact O-N 3.34Å; R331-L334 WeakPolarHBondContact O-CB 3.43Å; R331-L334 PolarHBondContact O-N 2.96Å; Q332-L334 VanDerWaalsContact C-N 3.29Å; Q332-L334 PolarHBondContact O-N 2.89Å; L334-R336 PolarHBondContact O-N 3.01Å; L334-F337 HydrophobicContact CD2-CE1 4.36Å; L334-F337 WeakPolarHBondContact O-CB 3.22Å; L334-F337 PolarHBondContact O-N 2.99Å; L334-L345 HydrophobicContact CD2-CD2 3.95Å
335A96.9Very high95.5Very high28 Ų2861.2 Ų61.223%0.23133%0.326CS..G310 helixtrans-66.4-19.2175.400000113.7E288 P315 F316 Q332 K333E288-A335 WeakPolarHBondContact OE1-CA 3.27Å; P315-A335 WeakPolarHBondContact O-CB 3.38Å; F316-A335 HydrophobicContact CB-CB 3.64Å; Q332-A335 PolarHBondContact O-N 3.47Å; K333-A335 PolarHBondContact O-N 2.84Å
336R96.1Very high95.7Very high211 Ų21157 Ų5780%0.79630%0.297SS*.G310 helixtrans-81-16.7175.6-58.7-175.5177.1-163.4-3.5113.5K333 L334 N338K333-R336 WeakPolarHBondContact O-CB 3.32Å; K333-R336 PolarHBondContact O-N 3.32Å; L334-R336 PolarHBondContact O-N 3.01Å; R336-N338 PolarHBondContact O-N 3.21Å
337F96Very high95.8Very high70 Ų7053 Ų5331%0.30727%0.271SS..  trans-68.6125.1-177.5-78.150.9000109.8R292 K333 L334 E341 F342 L345R292-F337 PolarHBondContact NH1-O 3.38Å; R292-F337 PolarHBondContact NH2-O 2.86Å; K333-F337 WeakPolarHBondContact O-CD1 3.49Å; L334-F337 HydrophobicContact CD2-CE1 4.36Å; L334-F337 WeakPolarHBondContact O-CB 3.22Å; L334-F337 PolarHBondContact O-N 2.99Å; F337-E341 WeakPolarHBondContact CA-OE2 3.41Å; F337-E341 HydrophobicContact CB-CB 4.16Å; F337-E341 HydrophobicContact CD2-CB 3.81Å; F337-E341 HydrophobicContact CG-CB 4.3Å; F337-F342 HydrophobicContact CB-CB 3.91Å; F337-F342 HydrophobicContact CB-CD2 4.14Å; F337-F342 HydrophobicContact CB-CG 4.48Å; F337-L345 HydrophobicContact CD2-CD2 4.33Å; F337-L345 HydrophobicContact CE2-CB 4.49Å; F337-L345 HydrophobicContact CE2-CD2 3.84Å; F337-L345 HydrophobicContact CZ-CD2 4.39Å
338N93.9Very high95.8Very high80 Ų8052.4 Ų52.443%0.42827%0.27SS..  trans-66.4170.8172.678.853.3000111R336 H340 E341 F342R336-N338 PolarHBondContact O-N 3.21Å; N338-H340 VanDerWaalsContact C-N 3.29Å; N338-H340 PolarHBondContact O-N 3.03Å; N338-H340 WeakPolarHBondContact OD1-CA 3.29Å; N338-H340 WeakPolarHBondContact OD1-CB 3.37Å; N338-H340 PolarHBondContact OD1-N 2.96Å; N338-E341 PolarHBondContact N-OE2 3.4Å; N338-E341 WeakPolarHBondContact ND2-CG 3.5Å; N338-E341 PolarHBondContact ND2-OE1 2.76Å; N338-E341 VanDerWaalsContact ND2-OE1 3.12Å; N338-E341 PolarHBondContact ND2-OE2 3.15Å; N338-E341 VanDerWaalsContact ND2-OE2 3.1Å; N338-E341 PolarHBondContact O-N 3.34Å; N338-E341 PolarHBondContact OD1-N 3.03Å; N338-E341 VanDerWaalsContact OD1-N 3.08Å; N338-F342 VanDerWaalsContact O-CB 3.31Å; N338-F342 WeakPolarHBondContact O-CB 3.44Å; N338-F342 PolarHBondContact O-N 3.4Å
339A92.9Very high95.9Very high81 Ų8151.9 Ų51.967%0.66927%0.267SS*.Hα-helixtrans-59.3-36.1-174.400000113.8A343A339-A343 WeakPolarHBondContact O-CB 3.42Å; A339-A343 PolarHBondContact O-N 3.28Å
340H90.9Very high96Very high102 Ų10246.8 Ų46.847%0.47224%0.244SC..Hα-helixtrans-75.9-44.4179.9179.7104.8000111.7M252 N338 A343 T344M252-H340 WeakPolarHBondContact CE-ND1 3.42Å; N338-H340 VanDerWaalsContact C-N 3.29Å; N338-H340 PolarHBondContact O-N 3.03Å; N338-H340 WeakPolarHBondContact OD1-CA 3.29Å; N338-H340 WeakPolarHBondContact OD1-CB 3.37Å; N338-H340 PolarHBondContact OD1-N 2.96Å; H340-A343 PolarHBondContact O-N 2.92Å; H340-T344 WeakPolarHBondContact O-CB 3.33Å; H340-T344 PolarHBondContact O-N 2.97Å; H340-T344 PolarHBondContact O-OG1 2.86Å
341E93.5Very high95.9Very high89 Ų8946.7 Ų46.742%0.41624%0.237SC..Hα-helixtrans-60-47.3175.3-69.2164.7167.100111.4F337 N338 T344 L345F337-E341 WeakPolarHBondContact CA-OE2 3.41Å; F337-E341 HydrophobicContact CB-CB 4.16Å; F337-E341 HydrophobicContact CD2-CB 3.81Å; F337-E341 HydrophobicContact CG-CB 4.3Å; N338-E341 PolarHBondContact N-OE2 3.4Å; N338-E341 WeakPolarHBondContact ND2-CG 3.5Å; N338-E341 PolarHBondContact ND2-OE1 2.76Å; N338-E341 VanDerWaalsContact ND2-OE1 3.12Å; N338-E341 PolarHBondContact ND2-OE2 3.15Å; N338-E341 VanDerWaalsContact ND2-OE2 3.1Å; N338-E341 PolarHBondContact O-N 3.34Å; N338-E341 PolarHBondContact OD1-N 3.03Å; N338-E341 VanDerWaalsContact OD1-N 3.08Å; E341-T344 PolarHBondContact O-N 3.24Å; E341-L345 PolarHBondContact O-N 3Å
342F96.4Very high95.8Very high1 Ų146.4 Ų46.40%0.00424%0.236CC..Hα-helixtrans-68.2-42-178.8-165.4-112.3000111.5Y233 V285 E288 V289 F337 N338 T344 L345 V346Y233-F342 HydrophobicContact CD1-CE1 4.36Å; Y233-F342 AromaticContact CE1-CD1 3.68Å; Y233-F342 HydrophobicContact CE1-CD1 3.68Å; Y233-F342 AromaticContact CE1-CE1 3.65Å; Y233-F342 HydrophobicContact CE1-CE1 3.65Å; Y233-F342 AromaticContact CZ-CE1 3.97Å; V285-F342 HydrophobicContact CG1-CE2 4.13Å; V285-F342 HydrophobicContact CG1-CZ 4.11Å; E288-F342 HydrophobicContact CB-CE2 4.15Å; E288-F342 HydrophobicContact CB-CZ 4Å; E288-F342 HydrophobicContact CG-CE2 3.67Å; E288-F342 HydrophobicContact CG-CZ 3.64Å; V289-F342 HydrophobicContact CG2-CE1 3.73Å; V289-F342 HydrophobicContact CG2-CZ 3.85Å; F337-F342 HydrophobicContact CB-CB 3.91Å; F337-F342 HydrophobicContact CB-CD2 4.14Å; F337-F342 HydrophobicContact CB-CG 4.48Å; N338-F342 VanDerWaalsContact O-CB 3.31Å; N338-F342 WeakPolarHBondContact O-CB 3.44Å; N338-F342 PolarHBondContact O-N 3.4Å; F342-T344 VanDerWaalsContact C-N 3.32Å; F342-T344 PolarHBondContact O-N 3.39Å; F342-L345 PolarHBondContact O-N 2.86Å; F342-V346 HydrophobicContact CD1-CG2 4.33Å; F342-V346 HydrophobicContact CE1-CG2 4.13Å; F342-V346 HydrophobicContact CZ-CG2 4.31Å; F342-V346 WeakPolarHBondContact O-CB 3.2Å; F342-V346 VanDerWaalsContact O-CG2 3.28Å; F342-V346 WeakPolarHBondContact O-CG2 3.46Å; F342-V346 PolarHBondContact O-N 2.92Å
343A95.5Very high95.8Very high12 Ų1244.7 Ų44.710%0.09923%0.231CC..Hα-helixtrans-60.7-40.3173.300000112.4L234 M252 A339 H340 V346 I347L234-A343 HydrophobicContact CD1-CB 4.46Å; L234-A343 HydrophobicContact CD2-CB 3.74Å; M252-A343 HydrophobicContact CE-CB 4.23Å; M252-A343 HydrophobicContact SD-CB 4.08Å; A339-A343 WeakPolarHBondContact O-CB 3.42Å; A339-A343 PolarHBondContact O-N 3.28Å; H340-A343 PolarHBondContact O-N 2.92Å; A343-V346 PolarHBondContact O-N 3.43Å; A343-I347 WeakPolarHBondContact O-CB 3.38Å; A343-I347 VanDerWaalsContact O-CG1 3.27Å; A343-I347 WeakPolarHBondContact O-CG1 3.49Å; A343-I347 PolarHBondContact O-N 2.87Å
344T93.9Very high95.6Very high32 Ų3243.5 Ų43.520%0.19623%0.226CC..Hα-helixtrans-62.3-47.9176.7-57.10000111.3H340 E341 F342 V346 I347 D348H340-T344 WeakPolarHBondContact O-CB 3.33Å; H340-T344 PolarHBondContact O-N 2.97Å; H340-T344 PolarHBondContact O-OG1 2.86Å; E341-T344 PolarHBondContact O-N 3.24Å; F342-T344 VanDerWaalsContact C-N 3.32Å; F342-T344 PolarHBondContact O-N 3.39Å; T344-V346 VanDerWaalsContact C-N 3.34Å; T344-V346 PolarHBondContact O-N 3.43Å; T344-I347 PolarHBondContact O-N 2.91Å; T344-D348 WeakPolarHBondContact O-CB 3.48Å; T344-D348 PolarHBondContact O-N 2.87Å
345L96.3Very high95.5Very high33 Ų3347.1 Ų47.117%0.17324%0.239CC..Hα-helixtrans-59.2-43.4176177.260.6000112.1V285 L334 F337 E341 F342 D348 I349V285-L345 HydrophobicContact CG2-CD2 3.83Å; V285-L345 HydrophobicContact CG2-CG 4.35Å; L334-L345 HydrophobicContact CD2-CD2 3.95Å; F337-L345 HydrophobicContact CD2-CD2 4.33Å; F337-L345 HydrophobicContact CE2-CB 4.49Å; F337-L345 HydrophobicContact CE2-CD2 3.84Å; F337-L345 HydrophobicContact CZ-CD2 4.39Å; E341-L345 PolarHBondContact O-N 3Å; F342-L345 PolarHBondContact O-N 2.86Å; L345-D348 PolarHBondContact O-N 3.31Å; L345-I349 HydrophobicContact CD1-CD1 3.91Å; L345-I349 HydrophobicContact CD1-CG1 4.29Å; L345-I349 HydrophobicContact CG-CD1 4Å; L345-I349 WeakPolarHBondContact O-CG1 3.29Å; L345-I349 PolarHBondContact O-N 3.47Å
346V97.7Very high95.4Very high0 Ų048.2 Ų48.20%024%0.237CC..Hα-helixtrans-66.7-42.1179.1171.80000111.7L230 L234 V285 F342 A343 T344 D348 I349 L350L230-V346 HydrophobicContact CB-CG1 3.86Å; L230-V346 HydrophobicContact CD2-CG1 4.2Å; L230-V346 HydrophobicContact CD2-CG2 4.33Å; L230-V346 HydrophobicContact CG-CG1 4.41Å; L230-V346 WeakPolarHBondContact O-CG1 3.27Å; L234-V346 HydrophobicContact CD1-CB 3.93Å; L234-V346 HydrophobicContact CD1-CG1 3.56Å; L234-V346 HydrophobicContact CG-CG1 3.99Å; V285-V346 HydrophobicContact CG1-CG2 3.75Å; F342-V346 HydrophobicContact CD1-CG2 4.33Å; F342-V346 HydrophobicContact CE1-CG2 4.13Å; F342-V346 HydrophobicContact CZ-CG2 4.31Å; F342-V346 WeakPolarHBondContact O-CB 3.2Å; F342-V346 VanDerWaalsContact O-CG2 3.28Å; F342-V346 WeakPolarHBondContact O-CG2 3.46Å; F342-V346 PolarHBondContact O-N 2.92Å; A343-V346 PolarHBondContact O-N 3.43Å; T344-V346 VanDerWaalsContact C-N 3.34Å; T344-V346 PolarHBondContact O-N 3.43Å; V346-D348 VanDerWaalsContact C-N 3.33Å; V346-D348 PolarHBondContact O-N 3.28Å; V346-I349 PolarHBondContact O-N 3.17Å; V346-L350 HydrophobicContact CG1-CD1 4.07Å; V346-L350 WeakPolarHBondContact O-CB 3.48Å; V346-L350 VanDerWaalsContact O-CG 3.26Å; V346-L350 WeakPolarHBondContact O-CG 3.23Å; V346-L350 PolarHBondContact O-N 3.39Å
347I96Very high95Very high20 Ų2042.6 Ų42.610%0.10322%0.22CC..Hα-helixtrans-63.4-39.7175.2-70.6166.9000111.3L234 I249 P250 M252 A343 T344 S351L234-I347 HydrophobicContact CD1-CD1 4.18Å; L234-I347 HydrophobicContact CD1-CG1 3.61Å; I249-I347 HydrophobicContact CG2-CG2 4.29Å; P250-I347 HydrophobicContact CB-CD1 4.17Å; P250-I347 HydrophobicContact CB-CG1 4.07Å; P250-I347 HydrophobicContact CG-CG1 4.4Å; M252-I347 HydrophobicContact CG-CD1 3.72Å; M252-I347 HydrophobicContact SD-CD1 3.6Å; A343-I347 WeakPolarHBondContact O-CB 3.38Å; A343-I347 VanDerWaalsContact O-CG1 3.27Å; A343-I347 WeakPolarHBondContact O-CG1 3.49Å; A343-I347 PolarHBondContact O-N 2.87Å; T344-I347 PolarHBondContact O-N 2.91Å; I347-S351 WeakPolarHBondContact O-CB 3.29Å; I347-S351 PolarHBondContact O-N 3.32Å; I347-S351 PolarHBondContact O-OG 3.47Å
348D95.9Very high94.4Very high19 Ų1945.5 Ų45.510%0.10223%0.234CC..Hα-helixtrans-67-44.2176.6-86.8-2.6000111.7K267 L270 T344 L345 V346 L350 S351 D352K267-D348 WeakPolarHBondContact CB-OD2 3.34Å; K267-D348 WeakPolarHBondContact CD-OD1 3.38Å; K267-D348 WeakPolarHBondContact CE-OD1 3.26Å; K267-D348 WeakPolarHBondContact CG-OD2 3.44Å; K267-D348 IonicContact NZ-OD1 2.7Å; K267-D348 PolarHBondContact NZ-OD1 2.83Å; L270-D348 HydrophobicContact CD2-CB 3.79Å; T344-D348 WeakPolarHBondContact O-CB 3.48Å; T344-D348 PolarHBondContact O-N 2.87Å; L345-D348 PolarHBondContact O-N 3.31Å; V346-D348 VanDerWaalsContact C-N 3.33Å; V346-D348 PolarHBondContact O-N 3.28Å; D348-L350 PolarHBondContact O-N 3.08Å; D348-S351 WeakPolarHBondContact O-CB 3.43Å; D348-S351 PolarHBondContact O-N 3.12Å; D348-D352 WeakPolarHBondContact O-CB 3.49Å; D348-D352 PolarHBondContact O-N 2.85Å
349I97.9Very high92.9Very high1 Ų143.5 Ų43.51%0.00523%0.233CC..Hα-helixtrans-60.5-44.9174.4-72.4170000111.5L230 L270 F278 L281 A282 V285 L345 V346 S351 D352 A353L230-I349 HydrophobicContact CD1-CB 4.48Å; L230-I349 HydrophobicContact CD1-CG2 3.68Å; L270-I349 HydrophobicContact CD1-CG1 4.25Å; L270-I349 HydrophobicContact CD2-CG1 4.1Å; F278-I349 HydrophobicContact CE2-CB 4.41Å; F278-I349 HydrophobicContact CE2-CG1 4.26Å; F278-I349 HydrophobicContact CE2-CG2 4.15Å; F278-I349 HydrophobicContact CZ-CG2 3.91Å; F278-I349 WeakPolarHBondContact CZ-O 3.4Å; L281-I349 HydrophobicContact CG-CD1 4.46Å; A282-I349 HydrophobicContact CB-CG2 4.03Å; V285-I349 HydrophobicContact CB-CD1 3.97Å; V285-I349 HydrophobicContact CG1-CD1 4.12Å; V285-I349 HydrophobicContact CG2-CD1 3.7Å; L345-I349 HydrophobicContact CD1-CD1 3.91Å; L345-I349 HydrophobicContact CD1-CG1 4.29Å; L345-I349 HydrophobicContact CG-CD1 4Å; L345-I349 WeakPolarHBondContact O-CG1 3.29Å; L345-I349 PolarHBondContact O-N 3.47Å; V346-I349 PolarHBondContact O-N 3.17Å; I349-S351 VanDerWaalsContact C-N 3.3Å; I349-S351 PolarHBondContact O-N 3.07Å; I349-D352 PolarHBondContact O-N 3.45Å; I349-A353 WeakPolarHBondContact O-CB 3.39Å; I349-A353 PolarHBondContact O-N 2.87Å
350L97.2Very high90.4Very high1 Ų144.4 Ų44.41%0.00523%0.234CC..Hα-helixtrans-58.9-42174.8-73.8168.5000112T227 L230 A231 I249 P250 V346 D348 K354T227-L350 HydrophobicContact CG2-CD2 4.16Å; T227-L350 VanDerWaalsContact O-CD2 3.25Å; T227-L350 WeakPolarHBondContact O-CD2 3.5Å; L230-L350 HydrophobicContact CB-CD1 4.34Å; L230-L350 HydrophobicContact CB-CD2 3.84Å; L230-L350 HydrophobicContact CB-CG 4.11Å; A231-L350 HydrophobicContact CB-CD1 4.22Å; A231-L350 HydrophobicContact CB-CD2 4.31Å; I249-L350 HydrophobicContact CD1-CB 3.85Å; I249-L350 WeakPolarHBondContact CD1-O 3.14Å; P250-L350 HydrophobicContact CG-CD1 4.3Å; V346-L350 HydrophobicContact CG1-CD1 4.07Å; V346-L350 WeakPolarHBondContact O-CB 3.48Å; V346-L350 VanDerWaalsContact O-CG 3.26Å; V346-L350 WeakPolarHBondContact O-CG 3.23Å; V346-L350 PolarHBondContact O-N 3.39Å; D348-L350 PolarHBondContact O-N 3.08Å; L350-K354 PolarHBondContact O-N 2.68Å
351S95.4Very high87.5Confident32 Ų3244.4 Ų44.422%0.22425%0.246CC..Hα-helixtrans-67.1-37.8177.4-58.10000112.2I249 I347 D348 I349 R355I249-S351 WeakPolarHBondContact CG2-OG 3.5Å; I347-S351 WeakPolarHBondContact O-CB 3.29Å; I347-S351 PolarHBondContact O-N 3.32Å; I347-S351 PolarHBondContact O-OG 3.47Å; D348-S351 WeakPolarHBondContact O-CB 3.43Å; D348-S351 PolarHBondContact O-N 3.12Å; I349-S351 VanDerWaalsContact C-N 3.3Å; I349-S351 PolarHBondContact O-N 3.07Å; S351-R355 PolarHBondContact O-N 3.3Å
352D96Very high84.8Confident1 Ų147.1 Ų47.11%0.00526%0.262CS..Hα-helixtrans-71-46.5179.7-131.968.7000111.8L270 Q271 F278 D348 I349 K354 R355 R356L270-D352 HydrophobicContact CD2-CB 4.26Å; Q271-D352 WeakPolarHBondContact CG-OD1 3.28Å; F278-D352 HydrophobicContact CD2-CB 4.26Å; F278-D352 HydrophobicContact CE2-CB 3.5Å; F278-D352 VanDerWaalsContact CE2-CB 3.5Å; F278-D352 HydrophobicContact CZ-CB 3.77Å; D348-D352 WeakPolarHBondContact O-CB 3.49Å; D348-D352 PolarHBondContact O-N 2.85Å; I349-D352 PolarHBondContact O-N 3.45Å; D352-K354 VanDerWaalsContact C-N 3.33Å; D352-K354 PolarHBondContact O-N 3.49Å; D352-R355 VanDerWaalsContact CG-NH1 3.32Å; D352-R355 PolarHBondContact O-N 2.99Å; D352-R355 VanDerWaalsContact O-N 3.15Å; D352-R355 IonicContact OD1-CZ 3.08Å; D352-R355 VanDerWaalsContact OD1-CZ 3.29Å; D352-R355 IonicContact OD1-NH1 2.73Å; D352-R355 PolarHBondContact OD1-NH1 3.42Å; D352-R355 IonicContact OD1-NH2 3.54Å; D352-R355 PolarHBondContact OD1-NH2 2.78Å; D352-R355 IonicContact OD2-CZ 3.93Å; D352-R355 IonicContact OD2-NH1 2.67Å; D352-R355 IonicContact OD2-NH2 3.14Å; D352-R355 PolarHBondContact OD2-NH2 2.88Å; D352-R356 WeakPolarHBondContact O-CG 3.31Å; D352-R356 PolarHBondContact O-N 2.83Å; D352-R356 IonicContact OD2-CZ 2.72Å; D352-R356 VanDerWaalsContact OD2-CZ 3.22Å; D352-R356 IonicContact OD2-NE 2.76Å; D352-R356 PolarHBondContact OD2-NE 3.42Å; D352-R356 IonicContact OD2-NH2 2.88Å; D352-R356 PolarHBondContact OD2-NH2 2.7Å
353A96.7Very high81.9Confident15 Ų1553 Ų5312%0.12430%0.303CS..Hα-helixtrans-57.4-45.8176.400000111.3T227 F247 F278 I349 R355 R356 Q357T227-A353 HydrophobicContact CG2-CB 3.82Å; F247-A353 HydrophobicContact CE1-CB 4.14Å; F278-A353 HydrophobicContact CE1-CB 4.01Å; F278-A353 HydrophobicContact CZ-CB 3.98Å; I349-A353 WeakPolarHBondContact O-CB 3.39Å; I349-A353 PolarHBondContact O-N 2.87Å; A353-R355 PolarHBondContact O-N 3.43Å; A353-R356 PolarHBondContact O-N 3.3Å; A353-Q357 PolarHBondContact O-N 2.85Å
354K95.2Very high79Confident74 Ų7454.4 Ų54.432%0.32232%0.319SS..Hα-helixtrans-58.5-47.3174.6-178.2176.1178.3-179.30112F247 I249 L350 D352 R356 Q357 Q358F247-K354 HydrophobicContact CB-CB 4.44Å; F247-K354 HydrophobicContact CB-CD 4.11Å; F247-K354 HydrophobicContact CB-CG 4.42Å; F247-K354 HydrophobicContact CD1-CB 3.96Å; F247-K354 HydrophobicContact CD2-CB 3.91Å; F247-K354 HydrophobicContact CD2-CD 4.19Å; F247-K354 HydrophobicContact CD2-CG 3.71Å; F247-K354 HydrophobicContact CE1-CB 4.15Å; F247-K354 HydrophobicContact CE2-CB 4.1Å; F247-K354 HydrophobicContact CE2-CG 4.07Å; F247-K354 HydrophobicContact CG-CB 3.84Å; F247-K354 HydrophobicContact CG-CD 4.24Å; F247-K354 HydrophobicContact CG-CG 4.01Å; F247-K354 HydrophobicContact CZ-CB 4.23Å; I249-K354 HydrophobicContact CD1-CB 4.4Å; I249-K354 HydrophobicContact CD1-CD 4.31Å; I249-K354 HydrophobicContact CG1-CD 4.31Å; L350-K354 PolarHBondContact O-N 2.68Å; D352-K354 VanDerWaalsContact C-N 3.33Å; D352-K354 PolarHBondContact O-N 3.49Å; K354-R356 PolarHBondContact O-N 3.36Å; K354-Q357 PolarHBondContact O-N 2.92Å; K354-Q358 HydrophobicContact CG-CG 4.43Å; K354-Q358 WeakPolarHBondContact O-CB 3.22Å; K354-Q358 VanDerWaalsContact O-CG 3.3Å; K354-Q358 WeakPolarHBondContact O-CG 3.49Å; K354-Q358 PolarHBondContact O-N 3.41Å; K354-Q358 VanDerWaalsContact O-N 3.07Å
355R95.2Very high76.2Confident88 Ų8856.9 Ų56.933%0.33234%0.338SS..Hα-helixtrans-62-43.9178.1-172.8-170.767.7-97.3-3.1111.6S351 D352 A353 G359S351-R355 PolarHBondContact O-N 3.3Å; D352-R355 VanDerWaalsContact CG-NH1 3.32Å; D352-R355 PolarHBondContact O-N 2.99Å; D352-R355 VanDerWaalsContact O-N 3.15Å; D352-R355 IonicContact OD1-CZ 3.08Å; D352-R355 VanDerWaalsContact OD1-CZ 3.29Å; D352-R355 IonicContact OD1-NH1 2.73Å; D352-R355 PolarHBondContact OD1-NH1 3.42Å; D352-R355 IonicContact OD1-NH2 3.54Å; D352-R355 PolarHBondContact OD1-NH2 2.78Å; D352-R355 IonicContact OD2-CZ 3.93Å; D352-R355 IonicContact OD2-NH1 2.67Å; D352-R355 IonicContact OD2-NH2 3.14Å; D352-R355 PolarHBondContact OD2-NH2 2.88Å; A353-R355 PolarHBondContact O-N 3.43Å; R355-G359 PolarHBondContact O-N 2.94Å
356R94.3Very high73.4Confident50 Ų5063.9 Ų63.919%0.18937%0.367CS..Hα-helixtrans-63-44.3-179.2-72.1174-167.9-93.60.7111.6L270 Q271 L273 N275 D352 A353 K354 G359L270-R356 PolarHBondContact O-NH2 3.48Å; Q271-R356 PolarHBondContact O-NH2 3.23Å; L273-R356 PolarHBondContact O-NH1 3.42Å; L273-R356 PolarHBondContact O-NH2 3.08Å; N275-R356 PolarHBondContact OD1-NH1 3.23Å; D352-R356 WeakPolarHBondContact O-CG 3.31Å; D352-R356 PolarHBondContact O-N 2.83Å; D352-R356 IonicContact OD2-CZ 2.72Å; D352-R356 VanDerWaalsContact OD2-CZ 3.22Å; D352-R356 IonicContact OD2-NE 2.76Å; D352-R356 PolarHBondContact OD2-NE 3.42Å; D352-R356 IonicContact OD2-NH2 2.88Å; D352-R356 PolarHBondContact OD2-NH2 2.7Å; A353-R356 PolarHBondContact O-N 3.3Å; K354-R356 PolarHBondContact O-N 3.36Å; R356-G359 PolarHBondContact O-N 3.36Å
357Q89.1Confident70.5Confident93 Ų9370.2 Ų70.244%0.43540%0.401SS..Hα-helixtrans-70.5-38179.2-169.8-17768.200113.3Y224 F247 A353 K354 G359Y224-Q357 VanDerWaalsContact CE1-NE2 3.29Å; Y224-Q357 PolarHBondContact OH-NE2 2.9Å; Y224-Q357 PolarHBondContact OH-OE1 3.36Å; Y224-Q357 VanDerWaalsContact OH-OE1 3.12Å; F247-Q357 HydrophobicContact CE2-CB 4.44Å; F247-Q357 HydrophobicContact CZ-CB 4.14Å; A353-Q357 PolarHBondContact O-N 2.85Å; K354-Q357 PolarHBondContact O-N 2.92Å; Q357-G359 PolarHBondContact O-N 3.02Å
358Q83.2Confident67.6Low131 Ų13175 Ų7561%0.61243%0.427SS*.Hα-helixtrans-69.4-14.9-179.4-71-173.1-5000113.6K354K354-Q358 HydrophobicContact CG-CG 4.43Å; K354-Q358 WeakPolarHBondContact O-CB 3.22Å; K354-Q358 VanDerWaalsContact O-CG 3.3Å; K354-Q358 WeakPolarHBondContact O-CG 3.49Å; K354-Q358 PolarHBondContact O-N 3.41Å; K354-Q358 VanDerWaalsContact O-N 3.07Å
359G60.7Low65Low39 Ų3978.2 Ų78.240%0.40245%0.447SS..  trans72.4152.2-174.200000112.5R355 R356 Q357 S361R355-G359 PolarHBondContact O-N 2.94Å; R356-G359 PolarHBondContact O-N 3.36Å; Q357-G359 PolarHBondContact O-N 3.02Å; G359-S361 VanDerWaalsContact C-N 3.26Å; G359-S361 PolarHBondContact O-N 3.19Å
360S42.3Very low62.1Low99 Ų9984 Ų8469%0.69247%0.474SS*.  trans-75.373.3-177.4-63.50000112.6L362S360-L362 VanDerWaalsContact C-N 3.29Å; S360-L362 PolarHBondContact O-N 2.79Å
361S28.1Very low59.4Low103 Ų10390.1 Ų90.172%0.7251%0.506SS*.  trans-65.989.9160.7-70.40000109.1G359 S363G359-S361 VanDerWaalsContact C-N 3.26Å; G359-S361 PolarHBondContact O-N 3.19Å; S361-S363 PolarHBondContact O-N 3.43Å
362L37.7Very low57.1Low146 Ų14693.9 Ų93.976%0.76452%0.522SS*.  trans-72.959.1-179.4-75.8168.6000112.5S360 G364S360-L362 VanDerWaalsContact C-N 3.29Å; S360-L362 PolarHBondContact O-N 2.79Å; L362-G364 PolarHBondContact O-N 3.23Å
363S35.8Very low54.4Low123 Ų12399.6 Ų99.686%0.8655%0.552SS**THydrogen-bonded Turntrans-80.242.2174.5660000112.7S361S361-S363 PolarHBondContact O-N 3.43Å
364G34.3Very low51.5Low43 Ų43106 Ų10644%0.44358%0.577SS.*THydrogen-bonded Turntrans-144.716.2-177.600000113.6L362L362-G364 PolarHBondContact O-N 3.23Å
365S36.3Very low48.8Very low84 Ų84107.7 Ų107.759%0.58759%0.594SS**  trans-883.5-175.452.80000114.9
366K37.5Very low46.1Very low180 Ų180109.4 Ų109.478%0.78361%0.608SS**SBendtrans-92.1-37-179.7-72.6-166.3171.7-173.30114.1N368 V369K366-N368 VanDerWaalsContact C-N 3.32Å; K366-N368 PolarHBondContact O-N 2.96Å; K366-V369 PolarHBondContact O-N 2.96Å
367D35.6Very low43.1Very low133 Ų133113.9 Ų113.971%0.71164%0.636SS**Hα-helixtrans-73.9-25.1-170.2-52.7-21000112.8V369D367-V369 VanDerWaalsContact C-N 3.32Å; D367-V369 PolarHBondContact O-N 3.07Å
368N35.9Very low40.7Very low120 Ų120116.7 Ų116.764%0.64265%0.654SS**Hα-helixtrans-76.7-13.1178.4-68.7-53.2000114.2K366K366-N368 VanDerWaalsContact C-N 3.32Å; K366-N368 PolarHBondContact O-N 2.96Å
369V41.6Very low38.3Very low87 Ų87119.4 Ų119.453%0.52767%0.667SS.*Hα-helixtrans-82.3-31.4-178-176.70000111.7K366 D367K366-V369 PolarHBondContact O-N 2.96Å; D367-V369 VanDerWaalsContact C-N 3.32Å; D367-V369 PolarHBondContact O-N 3.07Å
370E36.3Very low36.8Very low121 Ų121126.4 Ų126.457%0.56569%0.689SS**Hα-helixtrans-75.2-28-175.4-152.5-172.3126.200113.3K374E370-K374 PolarHBondContact O-N 3.1Å; E370-K374 IonicContact OE1-NZ 3.82Å; E370-K374 PolarHBondContact OE1-NZ 3.42Å
371L40.7Very low36.1Very low131 Ų131126.6 Ų126.669%0.68669%0.69SS**Hα-helixtrans-70.3-35179.4-125.275.6000112.8T375L371-T375 PolarHBondContact O-N 3.17Å; L371-T375 PolarHBondContact O-OG1 3.22Å
372I46.2Very low36.3Very low111 Ų111129.7 Ų129.757%0.56970%0.697SS**Hα-helixtrans-68.1-45.1-178.6-62.5175.1000110.1K374 T375 I376I372-K374 VanDerWaalsContact C-N 3.31Å; I372-K374 PolarHBondContact O-N 3.17Å; I372-T375 PolarHBondContact O-N 3.43Å; I372-I376 HydrophobicContact CG2-CD1 4.16Å
373L39.4Very low35.9Very low121 Ų121131.5 Ų131.563%0.63470%0.701SS**Hα-helixtrans-66.8-27.5-179-70.1170.6000113.8
374K37.2Very low35.8Very low149 Ų149130.3 Ų130.365%0.64869%0.693SS**Hα-helixtrans-78.4-18.2175.7-81.1168.8173.4166.10114.2E370 I372E370-K374 PolarHBondContact O-N 3.1Å; E370-K374 IonicContact OE1-NZ 3.82Å; E370-K374 PolarHBondContact OE1-NZ 3.42Å; I372-K374 VanDerWaalsContact C-N 3.31Å; I372-K374 PolarHBondContact O-N 3.17Å
375T36.7Very low35.7Very low110 Ų110136.3 Ų136.368%0.67571%0.71SS**Hα-helixtrans-86.8-29.3-177.4-52.50000112.5L371 I372 N377L371-T375 PolarHBondContact O-N 3.17Å; L371-T375 PolarHBondContact O-OG1 3.22Å; I372-T375 PolarHBondContact O-N 3.43Å; T375-N377 VanDerWaalsContact C-N 3.34Å; T375-N377 PolarHBondContact O-N 3.07Å
376I38.4Very low35.6Very low123 Ų123139.3 Ų139.363%0.63172%0.719SS**G310 helixtrans-70.1-25.2-172.6-68.6165.7000113.4I372 N378I372-I376 HydrophobicContact CG2-CD1 4.16Å; I376-N378 PolarHBondContact O-N 2.88Å
377N32.9Very low35.2Very low145 Ų145138.7 Ų138.778%0.77572%0.724SS**G310 helixtrans-91.919.6-165.3-155.391.7000115.1T375T375-N377 VanDerWaalsContact C-N 3.34Å; T375-N377 PolarHBondContact O-N 3.07Å
378N37.8Very low35.4Very low151 Ų151139.9 Ų139.981%0.80773%0.73SS**G310 helixtrans-145.415.8-168.6-134.726.2000117.5I376I376-N378 PolarHBondContact O-N 2.88Å
379Q32.7Very low35.3Very low189 Ų189142.7 Ų142.788%0.88374%0.74SS**  trans-136107.5168.9-71.6-170.2-7.300111.5
380H30.1Very low35.5Very low185 Ų185143.9 Ų143.986%0.85675%0.75SS**  trans-125.3144.7164.8-116.9-78000107.9
381S28.1Very low35.6Very low103 Ų103146.3 Ų146.372%0.7277%0.766SS**  trans7095.9165.6-49.50000117.4
382I30.7Very low35.4Very low169 Ų169150 Ų15087%0.86777%0.773SS**  178.4144.9101.4-90160000110.4
383E31Very low35.4Very low184 Ų184152.7 Ų152.786%0.8679%0.788SS**  trans-87.2166177.5-48.5159.512900109.2
384S31.9Very low35.7Very low98 Ų98151 Ų15169%0.68579%0.787SS**  cis-172.2-178.626.657.40000111.1
385Q32.4Very low35.7Very low169 Ų169149.9 Ų149.979%0.7979%0.792SS**  trans79.7101.7155.5-70.2177.5-15.500121.7
386D34.3Very low35.6Very low147 Ų147149.1 Ų149.179%0.78680%0.797SS**  35.9121.9126.2-49.8-14.4000122.4
387N30.4Very low35.5Very low167 Ų167148.5 Ų148.589%0.89380%0.803SS**  -162.8147.2109.2-108.5-68.8000112.5
388D38.3Very low35.8Very low157 Ų157148.8 Ų148.884%0.8481%0.805SS**  trans-86.9132173.8-74.5-63.8000112
389Q35.1Very low35.8Very low179 Ų179150.5 Ų150.584%0.83681%0.808SS**  -169.6139.7127-131.9168.7-113.400112
390P45.3Very low36Very low113 Ų113149.3 Ų149.373%0.73481%0.807SS**  trans-90.7132.6170.433.4-31.8000112.2
391D38.7Very low36.2Very low171 Ų171147.1 Ų147.191%0.91481%0.807SS**  trans-72.7144.7174.3-78.4-47.8000112.7
392Y36.8Very low36.8Very low209 Ų209149.5 Ų149.582%0.8281%0.812SS**  trans-121.987.7-164.5-162.7-87.1000111.1S394Y392-S394 PolarHBondContact O-N 3.21Å; Y392-S394 PolarHBondContact O-OG 2.95Å
393D44.8Very low37Very low167 Ų167149.9 Ų149.989%0.89382%0.815SS**  trans-67129.3179.8-167.714000111.2
394S45.3Very low36.9Very low87 Ų87149 Ų14961%0.60881%0.811SS**  trans-109.2121.2-160-70.60000112.2Y392 A396Y392-S394 PolarHBondContact O-N 3.21Å; Y392-S394 PolarHBondContact O-OG 2.95Å; S394-A396 PolarHBondContact O-N 3.41Å
395V38.3Very low36.9Very low125 Ų125149.9 Ų149.976%0.75881%0.812SS**  trans-61127.6172-80.30000110.9S397V395-S397 PolarHBondContact O-N 3.01Å
396A34.6Very low36.7Very low94 Ų94147.9 Ų147.978%0.77781%0.812SS**  trans-57.7133.6175.300000111.6S394S394-A396 PolarHBondContact O-N 3.41Å
397S35.9Very low36.5Very low109 Ų109145.2 Ų145.276%0.76281%0.81SS**  trans-139.4102.9172.258.60000108.6V395 E399V395-S397 PolarHBondContact O-N 3.01Å; S397-E399 PolarHBondContact O-N 3.14Å
398D40.4Very low36.5Very low151 Ų151142.1 Ų142.181%0.80780%0.801SS**  trans-81.696.6-175.3-42.9-48.8000110.2
399E36.3Very low36.2Very low188 Ų188144.3 Ų144.388%0.87980%0.804SS**  trans-13697.8161.5-72.5-164.9140.500108.9S397S397-E399 PolarHBondContact O-N 3.14Å
400D37.6Very low36Very low163 Ų163140.3 Ų140.387%0.87280%0.801SS**  trans-66.8147.5176.1-73.4-57.9000112.3
401T35Very low35.3Very low139 Ų139141.8 Ų141.885%0.85380%0.803SS**  trans-151.8118.9154.7-41.50000110.2
402D39.9Very low35Very low154 Ų154145.2 Ų145.282%0.82480%0.803SS**  trans-60.7150.7175.8-65.6-72.9000113
403L34.7Very low34.9Very low176 Ų176143.3 Ų143.392%0.92180%0.801SS**  -167.4141.6129.2-105166.4000112.3
404E29.6Very low34.5Very low166 Ų166144.2 Ų144.278%0.77680%0.797SS**  trans-69.1158.4177.6-56.9-178.4113.400112
405T30.2Very low33.8Very low117 Ų117144.7 Ų144.772%0.71880%0.801SS**  179.9158.877.128.80000115.3
406T28.8Very low33.9Very low126 Ų126145.3 Ų145.377%0.77380%0.799SS**  trans69.97515047.60000122.1
407A30.5Very low34.1Very low91 Ų91147.9 Ų147.975%0.75280%0.8SS**  37.6124.4113.300000122.2
408S30.8Very low34.2Very low102 Ų102148.1 Ų148.171%0.71380%0.801SS**  173.2123.299.2-79.50000116.2
409K31.7Very low34Very low204 Ų204148.2 Ų148.289%0.88780%0.802SS**  trans61.7137.2142.7-63.9172.4-176171.60119.5
410A31.3Very low34.2Very low94 Ų94147 Ų14778%0.77780%0.801SS**  cis-167.1169.3-7.400000112.7
411N30.7Very low34.1Very low144 Ų144144.1 Ų144.177%0.7779%0.793SS**  trans83.581.6146.8-161.220.2000120.2
412R32.1Very low34.6Very low243 Ų243146 Ų14692%0.91780%0.798SS**  -157.7162.2112.7-105.1167.6-175.1-175.11.3110.4
413Q33.8Very low35.5Very low170 Ų170140.5 Ų140.579%0.79478%0.778SS**  trans-131.3115.8-150.6-172169.2-64.600114.6
414K37.3Very low36.7Very low185 Ų185138.4 Ų138.480%0.80477%0.774SS**  trans59.5146.4151.7-68.1-173.5175.6-167.90119.2
415S31.1Very low38.5Very low98 Ų98135.7 Ų135.769%0.68577%0.769SS**  cis-150.3135.8-4.638.70000107.7
416L40.6Very low41Very low137 Ų137133.5 Ų133.572%0.71776%0.755SS**  56109.672.6-61.9167.5000110.6
417D38.4Very low43.5Very low149 Ų149132.7 Ų132.780%0.79775%0.75SS**  72.213458.4-66.6-46000113.9
418S36.5Very low45.9Very low113 Ų113133.5 Ų133.579%0.7974%0.738SS**  trans-153.4100.2169.356.80000108.7
419D36.9Very low48.3Very low153 Ų153132.5 Ų132.582%0.81872%0.723SS**  trans-59.8148.3172-72.7-71.7000111.7S421D419-S421 VanDerWaalsContact C-N 3.28Å; D419-S421 PolarHBondContact O-N 3.32Å
420L40.2Very low50.6Low164 Ų164129 Ų12986%0.85971%0.707SS**  trans-77.875.6176.8-69174.7000111.2
421S36.3Very low53.4Low101 Ų101128.8 Ų128.871%0.70669%0.691SS**  trans-64.9140.4160.964.30000110.4D419 G423D419-S421 VanDerWaalsContact C-N 3.28Å; D419-S421 PolarHBondContact O-N 3.32Å; S421-G423 PolarHBondContact O-N 3.03Å
422D45.5Very low56.1Low180 Ų180127 Ų12796%0.96368%0.679SS**SBendtrans-75.360.6177.2-16218.3000111.7
423G57.7Low58.7Low38 Ų38120.3 Ų120.339%0.39266%0.664SS.*  trans-98.6168.8-178.700000113.1S421 V425S421-G423 PolarHBondContact O-N 3.03Å; G423-V425 PolarHBondContact O-N 3.31Å; G423-V425 VanDerWaalsContact O-N 3.09Å
424P61.3Low61.3Low131 Ų131117.9 Ų117.985%0.85165%0.651SS**  trans-65.8111.9176.327.5-33.5000110.7T426P424-T426 PolarHBondContact O-N 3.29Å
425V66.7Low63.7Low109 Ų109114.3 Ų114.366%0.66164%0.641SS**  trans-39.6123.9-176.8-1790000112.3G423 E429 F430G423-V425 PolarHBondContact O-N 3.31Å; G423-V425 VanDerWaalsContact O-N 3.09Å; V425-E429 HydrophobicContact CG1-CB 4.13Å; V425-F430 HydrophobicContact CG1-CB 4.49Å
426T83.3Confident66.5Low71 Ų71112.7 Ų112.744%0.43663%0.633SS.*  trans-72.2154.1-179.271.30000111.5P424 Q428 E429 F430P424-T426 PolarHBondContact O-N 3.29Å; T426-Q428 PolarHBondContact O-N 2.67Å; T426-Q428 VanDerWaalsContact O-N 3.15Å; T426-E429 WeakPolarHBondContact CA-OE2 3.44Å; T426-E429 WeakPolarHBondContact CB-OE2 3.3Å; T426-E429 VanDerWaalsContact CG2-OE2 3.29Å; T426-E429 WeakPolarHBondContact CG2-OE2 3.4Å; T426-E429 PolarHBondContact N-OE2 3.03Å; T426-E429 PolarHBondContact O-N 2.9Å; T426-E429 WeakPolarHBondContact OG1-CG 3.42Å; T426-E429 PolarHBondContact OG1-N 3.27Å; T426-E429 PolarHBondContact OG1-OE2 3.38Å; T426-F430 PolarHBondContact O-N 3.1Å
427V81.4Confident68.8Low110 Ų110111 Ų11167%0.66762%0.624SS**Hα-helixtrans-61-24.5176.5-179.30000111.8M431V427-M431 HydrophobicContact CG1-CE 4.39Å; V427-M431 WeakPolarHBondContact O-CG 3.19Å; V427-M431 PolarHBondContact O-N 3.34Å; V427-M431 VanDerWaalsContact O-N 3.14Å
428Q80.7Confident71.3Confident108 Ų108107.7 Ų107.751%0.50561%0.61SS.*Hα-helixtrans-72.5-53.4176.7-17660.62600111.4T426 F430 M431 E432T426-Q428 PolarHBondContact O-N 2.67Å; T426-Q428 VanDerWaalsContact O-N 3.15Å; Q428-F430 VanDerWaalsContact C-N 3.26Å; Q428-F430 PolarHBondContact O-N 3.08Å; Q428-M431 PolarHBondContact O-N 3.14Å; Q428-E432 PolarHBondContact NE2-OE1 2.6Å; Q428-E432 PolarHBondContact O-N 3.14Å
429E80.5Confident73.9Confident81 Ų81105.4 Ų105.438%0.37960%0.597SS.*Hα-helixtrans-57.6-40.8175.6-66.5159116.600111.2V425 T426 M431 E432 V433V425-E429 HydrophobicContact CG1-CB 4.13Å; T426-E429 WeakPolarHBondContact CA-OE2 3.44Å; T426-E429 WeakPolarHBondContact CB-OE2 3.3Å; T426-E429 VanDerWaalsContact CG2-OE2 3.29Å; T426-E429 WeakPolarHBondContact CG2-OE2 3.4Å; T426-E429 PolarHBondContact N-OE2 3.03Å; T426-E429 PolarHBondContact O-N 2.9Å; T426-E429 WeakPolarHBondContact OG1-CG 3.42Å; T426-E429 PolarHBondContact OG1-N 3.27Å; T426-E429 PolarHBondContact OG1-OE2 3.38Å; E429-M431 VanDerWaalsContact C-N 3.33Å; E429-M431 PolarHBondContact O-N 3.21Å; E429-E432 PolarHBondContact O-N 2.86Å; E429-V433 WeakPolarHBondContact O-CB 3.26Å; E429-V433 WeakPolarHBondContact O-CG2 3.49Å; E429-V433 PolarHBondContact O-N 2.79Å
430F79.9Confident76.2Confident129 Ų129100.9 Ų100.957%0.56658%0.578SS**Hα-helixtrans-60.6-39.6174.6-179.7-98.7000112.7V425 T426 Q428 K434V425-F430 HydrophobicContact CG1-CB 4.49Å; T426-F430 PolarHBondContact O-N 3.1Å; Q428-F430 VanDerWaalsContact C-N 3.26Å; Q428-F430 PolarHBondContact O-N 3.08Å; F430-K434 WeakPolarHBondContact O-CB 2.94Å; F430-K434 PolarHBondContact O-N 2.95Å
431M89.8Confident78.6Confident90 Ų9097.9 Ų97.944%0.44356%0.559SS.*Hα-helixtrans-70.8-34.7175-78.3-160.1-73.500112.8V427 Q428 E429 K434 N435V427-M431 HydrophobicContact CG1-CE 4.39Å; V427-M431 WeakPolarHBondContact O-CG 3.19Å; V427-M431 PolarHBondContact O-N 3.34Å; V427-M431 VanDerWaalsContact O-N 3.14Å; Q428-M431 PolarHBondContact O-N 3.14Å; E429-M431 VanDerWaalsContact C-N 3.33Å; E429-M431 PolarHBondContact O-N 3.21Å; M431-K434 PolarHBondContact O-N 3.4Å; M431-N435 WeakPolarHBondContact O-CB 3.41Å; M431-N435 PolarHBondContact O-N 3.04Å; M431-N435 PolarHBondContact O-ND2 2.9Å
432E88.6Confident81.2Confident108 Ų10895.7 Ų95.751%0.50555%0.547SS..Hα-helixtrans-68.7-45.5176.4-71.5175.1-159.200111.8Q428 E429 K434 N435 A436Q428-E432 PolarHBondContact NE2-OE1 2.6Å; Q428-E432 PolarHBondContact O-N 3.14Å; E429-E432 PolarHBondContact O-N 2.86Å; E432-K434 VanDerWaalsContact C-N 3.33Å; E432-K434 PolarHBondContact O-N 2.93Å; E432-N435 PolarHBondContact O-N 2.87Å; E432-A436 WeakPolarHBondContact O-CB 3.43Å; E432-A436 PolarHBondContact O-N 3.41Å
433V86.4Confident83.5Confident102 Ų10294.2 Ų94.262%0.61853%0.532SS*.Hα-helixtrans-60.7-41.3171.8172.70000111.2E429 A436 L437E429-V433 WeakPolarHBondContact O-CB 3.26Å; E429-V433 WeakPolarHBondContact O-CG2 3.49Å; E429-V433 PolarHBondContact O-N 2.79Å; V433-A436 PolarHBondContact O-N 2.88Å; V433-L437 WeakPolarHBondContact O-CB 3.25Å; V433-L437 PolarHBondContact O-N 3.36Å
434K87.7Confident85.1Confident119 Ų11996.7 Ų96.752%0.51754%0.536SS..Hα-helixtrans-62.3-42175.3-179.6-178.7177.1-176.10112.3F430 M431 E432 L437 V438F430-K434 WeakPolarHBondContact O-CB 2.94Å; F430-K434 PolarHBondContact O-N 2.95Å; M431-K434 PolarHBondContact O-N 3.4Å; E432-K434 VanDerWaalsContact C-N 3.33Å; E432-K434 PolarHBondContact O-N 2.93Å; K434-L437 PolarHBondContact O-N 3.4Å; K434-V438 WeakPolarHBondContact O-CG2 3.42Å; K434-V438 PolarHBondContact O-N 2.96Å
435N88.9Confident86.4Confident110 Ų11096.8 Ų96.859%0.58853%0.525SS*.Hα-helixtrans-67.4-40.1177.2-70.3-24.4000111.5M431 E432 V438 A439M431-N435 WeakPolarHBondContact O-CB 3.41Å; M431-N435 PolarHBondContact O-N 3.04Å; M431-N435 PolarHBondContact O-ND2 2.9Å; E432-N435 PolarHBondContact O-N 2.87Å; N435-V438 PolarHBondContact O-N 3.25Å; N435-A439 PolarHBondContact O-N 3.05Å
436A88.8Confident87.7Confident63 Ų6396.8 Ų96.852%0.52152%0.518SS..Hα-helixtrans-63.6-38.7173.300000112.3E432 V433 A439 S440E432-A436 WeakPolarHBondContact O-CB 3.43Å; E432-A436 PolarHBondContact O-N 3.41Å; V433-A436 PolarHBondContact O-N 2.88Å; A436-A439 PolarHBondContact O-N 3.41Å; A436-S440 WeakPolarHBondContact O-CB 3.16Å; A436-S440 PolarHBondContact O-N 3.43Å
437L89.4Confident88Confident101 Ų10198.7 Ų98.753%0.52953%0.525SS..Hα-helixtrans-62.9-48.8175.2-178.761.7000111.5V433 K434 A439 S440 E441V433-L437 WeakPolarHBondContact O-CB 3.25Å; V433-L437 PolarHBondContact O-N 3.36Å; K434-L437 PolarHBondContact O-N 3.4Å; L437-A439 VanDerWaalsContact C-N 3.3Å; L437-A439 PolarHBondContact O-N 2.98Å; L437-S440 CarbonylContact O-C 3.46Å; L437-S440 WeakPolarHBondContact O-CA 3.26Å; L437-S440 WeakPolarHBondContact O-CB 3.29Å; L437-S440 PolarHBondContact O-N 3.42Å; L437-E441 WeakPolarHBondContact O-CG 3.44Å; L437-E441 PolarHBondContact O-N 2.97Å
438V91.6Very high88.4Confident81 Ų8199 Ų9949%0.49152%0.52SS..Hα-helixtrans-60.2-39.4176.7171.20000111.7K434 N435 S440 E441 A442K434-V438 WeakPolarHBondContact O-CG2 3.42Å; K434-V438 PolarHBondContact O-N 2.96Å; N435-V438 PolarHBondContact O-N 3.25Å; V438-S440 VanDerWaalsContact C-N 3.33Å; V438-S440 PolarHBondContact O-N 2.92Å; V438-E441 PolarHBondContact O-N 3.29Å; V438-A442 WeakPolarHBondContact O-CB 3.34Å; V438-A442 PolarHBondContact O-N 2.94Å
439A90.2Very high88.9Confident64 Ų64100.1 Ų100.153%0.52952%0.523SS..Hα-helixtrans-65.2-36.117400000112.6N435 A436 L437 K443N435-A439 PolarHBondContact O-N 3.05Å; A436-A439 PolarHBondContact O-N 3.41Å; L437-A439 VanDerWaalsContact C-N 3.3Å; L437-A439 PolarHBondContact O-N 2.98Å; A439-K443 WeakPolarHBondContact O-CB 3.45Å; A439-K443 PolarHBondContact O-N 2.71Å; A439-K443 VanDerWaalsContact O-N 3.16Å
440S85.3Confident89.6Confident59 Ų5999.3 Ų99.341%0.41352%0.524SS..Hα-helixtrans-68.1-45.9174.7-1650000112A436 L437 V438 A442 K443 I444A436-S440 WeakPolarHBondContact O-CB 3.16Å; A436-S440 PolarHBondContact O-N 3.43Å; L437-S440 CarbonylContact O-C 3.46Å; L437-S440 WeakPolarHBondContact O-CA 3.26Å; L437-S440 WeakPolarHBondContact O-CB 3.29Å; L437-S440 PolarHBondContact O-N 3.42Å; V438-S440 VanDerWaalsContact C-N 3.33Å; V438-S440 PolarHBondContact O-N 2.92Å; S440-A442 PolarHBondContact O-N 2.84Å; S440-K443 WeakPolarHBondContact O-CB 3.26Å; S440-K443 PolarHBondContact O-N 3.04Å; S440-K443 VanDerWaalsContact O-N 3.1Å; S440-I444 WeakPolarHBondContact O-CG1 3.39Å; S440-I444 PolarHBondContact O-N 3.49Å
441E90.1Very high90Very high100 Ų10098 Ų9847%0.46752%0.522SS..Hα-helixtrans-58.3-45.5175.6-72.2-177.7162.400111.8L437 V438 K443 I444 Q445L437-E441 WeakPolarHBondContact O-CG 3.44Å; L437-E441 PolarHBondContact O-N 2.97Å; V438-E441 PolarHBondContact O-N 3.29Å; E441-K443 VanDerWaalsContact C-N 3.29Å; E441-K443 PolarHBondContact O-N 3.07Å; E441-I444 PolarHBondContact O-N 3.48Å; E441-Q445 WeakPolarHBondContact O-CG 3.2Å; E441-Q445 PolarHBondContact O-N 3.07Å
442A92.4Very high90Very high55 Ų5598.5 Ų98.546%0.45553%0.527SS..Hα-helixtrans-60.3-38.9175.200000112.3V438 S440 Q445 Q446V438-A442 WeakPolarHBondContact O-CB 3.34Å; V438-A442 PolarHBondContact O-N 2.94Å; S440-A442 PolarHBondContact O-N 2.84Å; A442-Q445 PolarHBondContact O-N 3.22Å; A442-Q446 WeakPolarHBondContact O-CB 3.26Å; A442-Q446 PolarHBondContact O-N 3.43Å
443K92.7Very high90.2Very high149 Ų14997.9 Ų97.965%0.64853%0.527SS*.Hα-helixtrans-68.5-38.5176.3-166.9173.4-177.4178.20112.1A439 S440 E441 Q446 L447A439-K443 WeakPolarHBondContact O-CB 3.45Å; A439-K443 PolarHBondContact O-N 2.71Å; A439-K443 VanDerWaalsContact O-N 3.16Å; S440-K443 WeakPolarHBondContact O-CB 3.26Å; S440-K443 PolarHBondContact O-N 3.04Å; S440-K443 VanDerWaalsContact O-N 3.1Å; E441-K443 VanDerWaalsContact C-N 3.29Å; E441-K443 PolarHBondContact O-N 3.07Å; K443-Q446 PolarHBondContact O-N 3.21Å; K443-L447 WeakPolarHBondContact O-CG 3.39Å; K443-L447 PolarHBondContact O-N 3.4Å
444I91.9Very high90.4Very high90 Ų9097.2 Ų97.246%0.46252%0.52SS..Hα-helixtrans-64-47.3173.8-69164.4000110.4S440 E441 Q446 L447 M448S440-I444 WeakPolarHBondContact O-CG1 3.39Å; S440-I444 PolarHBondContact O-N 3.49Å; E441-I444 PolarHBondContact O-N 3.48Å; I444-Q446 VanDerWaalsContact C-N 3.32Å; I444-Q446 PolarHBondContact O-N 3.07Å; I444-L447 PolarHBondContact O-N 3.35Å; I444-L447 VanDerWaalsContact O-N 3.16Å; I444-M448 HydrophobicContact CG2-CG 4.44Å; I444-M448 HydrophobicContact CG2-SD 4.13Å; I444-M448 WeakPolarHBondContact O-CG 3.5Å; I444-M448 PolarHBondContact O-N 3.37Å
445Q89.3Confident90.5Very high134 Ų13493.9 Ų93.963%0.62651%0.511SS*.Hα-helixtrans-59.1-42.1176.8-70.7177.820.700112.1E441 A442 M448 K449E441-Q445 WeakPolarHBondContact O-CG 3.2Å; E441-Q445 PolarHBondContact O-N 3.07Å; A442-Q445 PolarHBondContact O-N 3.22Å; Q445-M448 PolarHBondContact O-N 3.22Å; Q445-K449 WeakPolarHBondContact O-CB 3.35Å; Q445-K449 PolarHBondContact O-N 3.03Å
446Q93.1Very high90.7Very high109 Ų10992.1 Ų92.151%0.50950%0.502SS..Hα-helixtrans-65.4-39.9175.8-179.663.8-0.700112.2A442 K443 I444 K449 V450A442-Q446 WeakPolarHBondContact O-CB 3.26Å; A442-Q446 PolarHBondContact O-N 3.43Å; K443-Q446 PolarHBondContact O-N 3.21Å; I444-Q446 VanDerWaalsContact C-N 3.32Å; I444-Q446 PolarHBondContact O-N 3.07Å; Q446-K449 PolarHBondContact O-N 2.9Å; Q446-V450 WeakPolarHBondContact O-CG2 3.47Å; Q446-V450 PolarHBondContact O-N 3.2Å
447L89.3Confident90.9Very high111 Ų11194.6 Ų94.658%0.58150%0.503SS*.Hα-helixtrans-65.3-41.1174.4-74.7168.8000112.2K443 I444 K449 V450 N451K443-L447 WeakPolarHBondContact O-CG 3.39Å; K443-L447 PolarHBondContact O-N 3.4Å; I444-L447 PolarHBondContact O-N 3.35Å; I444-L447 VanDerWaalsContact O-N 3.16Å; L447-K449 VanDerWaalsContact C-N 3.33Å; L447-K449 PolarHBondContact O-N 3.38Å; L447-V450 PolarHBondContact O-N 3.04Å; L447-N451 WeakPolarHBondContact O-CB 3.5Å; L447-N451 PolarHBondContact O-N 3.5Å
448M89.6Confident90.8Very high116 Ų11694.3 Ų94.357%0.57150%0.501SS*.Hα-helixtrans-60.7-41.8173.6-7017873.800111.6I444 Q445 N451 N452I444-M448 HydrophobicContact CG2-CG 4.44Å; I444-M448 HydrophobicContact CG2-SD 4.13Å; I444-M448 WeakPolarHBondContact O-CG 3.5Å; I444-M448 PolarHBondContact O-N 3.37Å; Q445-M448 PolarHBondContact O-N 3.22Å; M448-N451 PolarHBondContact O-N 3.46Å; M448-N452 VanDerWaalsContact O-CG 3.29Å; M448-N452 PolarHBondContact O-N 3.45Å
449K92.5Very high90.9Very high131 Ų13197.8 Ų97.857%0.5751%0.506SS*.Hα-helixtrans-62.2-43.9175.6-171.8177.3-176.7178.60112.3Q445 Q446 L447 N452 N453Q445-K449 WeakPolarHBondContact O-CB 3.35Å; Q445-K449 PolarHBondContact O-N 3.03Å; Q446-K449 PolarHBondContact O-N 2.9Å; L447-K449 VanDerWaalsContact C-N 3.33Å; L447-K449 PolarHBondContact O-N 3.38Å; K449-N452 PolarHBondContact O-N 2.92Å; K449-N453 PolarHBondContact O-N 2.81Å; K449-N453 VanDerWaalsContact O-N 3.12Å; K449-N453 PolarHBondContact O-OD1 2.76Å
450V93.8Very high91Very high65 Ų6599.2 Ų99.239%0.39450%0.504SS..Hα-helixtrans-65-40.5175.5171.10000111.5Q446 L447 N453 L454Q446-V450 WeakPolarHBondContact O-CG2 3.47Å; Q446-V450 PolarHBondContact O-N 3.2Å; L447-V450 PolarHBondContact O-N 3.04Å; V450-N453 PolarHBondContact O-N 3.39Å; V450-L454 HydrophobicContact CG1-CD1 3.94Å; V450-L454 WeakPolarHBondContact O-CG 3.5Å; V450-L454 PolarHBondContact O-N 2.72Å
451N88Confident91.3Very high100 Ų100101.4 Ų101.454%0.53551%0.509SS..Hα-helixtrans-66.6-37.6178.4-16411000112.5L447 M448 L454 S455L447-N451 WeakPolarHBondContact O-CB 3.5Å; L447-N451 PolarHBondContact O-N 3.5Å; M448-N451 PolarHBondContact O-N 3.46Å; N451-L454 PolarHBondContact O-N 2.88Å; N451-S455 WeakPolarHBondContact O-CB 3.4Å; N451-S455 PolarHBondContact O-N 2.76Å; N451-S455 PolarHBondContact O-OG 3.47Å
452N90.8Very high91.2Very high101 Ų101102.5 Ų102.554%0.5451%0.514SS..Hα-helixtrans-62.3-47.2172.1-71.9-16.7000111.4M448 K449 L454 S455 D456M448-N452 VanDerWaalsContact O-CG 3.29Å; M448-N452 PolarHBondContact O-N 3.45Å; K449-N452 PolarHBondContact O-N 2.92Å; N452-L454 PolarHBondContact O-N 3.26Å; N452-S455 WeakPolarHBondContact O-CB 3.47Å; N452-S455 PolarHBondContact O-N 2.79Å; N452-S455 VanDerWaalsContact O-N 3.13Å; N452-D456 PolarHBondContact O-N 3.28Å
453N92.3Very high91.3Very high96 Ų96107.1 Ų107.151%0.51352%0.523SS..Hα-helixtrans-58.6-46.6176.6-69.34.8000111.8K449 V450 S455 D456 E457K449-N453 PolarHBondContact O-N 2.81Å; K449-N453 VanDerWaalsContact O-N 3.12Å; K449-N453 PolarHBondContact O-OD1 2.76Å; V450-N453 PolarHBondContact O-N 3.39Å; N453-S455 VanDerWaalsContact C-N 3.29Å; N453-S455 PolarHBondContact O-N 3.48Å; N453-D456 PolarHBondContact O-N 2.91Å; N453-E457 PolarHBondContact O-N 3.14Å
454L91.3Very high91.3Very high87 Ų87106.5 Ų106.546%0.45552%0.521SS..Hα-helixtrans-60.7-37.6175.5-76.9163.8000112.3V450 N451 N452 E457 L458V450-L454 HydrophobicContact CG1-CD1 3.94Å; V450-L454 WeakPolarHBondContact O-CG 3.5Å; V450-L454 PolarHBondContact O-N 2.72Å; N451-L454 PolarHBondContact O-N 2.88Å; N452-L454 PolarHBondContact O-N 3.26Å; L454-E457 PolarHBondContact O-N 2.93Å; L454-L458 WeakPolarHBondContact O-CB 3.37Å; L454-L458 VanDerWaalsContact O-CG 3.29Å; L454-L458 WeakPolarHBondContact O-CG 3.36Å; L454-L458 PolarHBondContact O-N 3.05Å
455S89.9Confident91.2Very high49 Ų49106.8 Ų106.834%0.34352%0.523SS..Hα-helixtrans-66.7-36.1177-62.40000112.6N451 N452 N453 R459N451-S455 WeakPolarHBondContact O-CB 3.4Å; N451-S455 PolarHBondContact O-N 2.76Å; N451-S455 PolarHBondContact O-OG 3.47Å; N452-S455 WeakPolarHBondContact O-CB 3.47Å; N452-S455 PolarHBondContact O-N 2.79Å; N452-S455 VanDerWaalsContact O-N 3.13Å; N453-S455 VanDerWaalsContact C-N 3.29Å; N453-S455 PolarHBondContact O-N 3.48Å; S455-R459 WeakPolarHBondContact O-CB 3.11Å; S455-R459 PolarHBondContact O-N 3.1Å
456D91.9Very high91.3Very high73 Ų73106.7 Ų106.739%0.3952%0.522SS..Hα-helixtrans-75.1-37174.3-76.4-29.1000112.1N452 N453 R459 I460N452-D456 PolarHBondContact O-N 3.28Å; N453-D456 PolarHBondContact O-N 2.91Å; D456-R459 WeakPolarHBondContact O-CB 3.45Å; D456-R459 PolarHBondContact O-N 3.5Å; D456-R459 IonicContact OD1-CZ 3.22Å; D456-R459 IonicContact OD1-NE 3.77Å; D456-R459 IonicContact OD1-NH1 2.67Å; D456-R459 PolarHBondContact OD1-NH1 3.18Å; D456-R459 IonicContact OD1-NH2 3.52Å; D456-R459 PolarHBondContact OD1-NH2 3.4Å; D456-I460 VanDerWaalsContact O-CG1 3.32Å; D456-I460 WeakPolarHBondContact O-CG1 3.46Å; D456-I460 PolarHBondContact O-N 2.68Å
457E93Very high91.2Very high116 Ų116104.5 Ų104.554%0.54252%0.516SS..Hα-helixtrans-61.8-42.9170.6-74.5-163.8162.700112.2N453 L454 R459 I460 M461N453-E457 PolarHBondContact O-N 3.14Å; L454-E457 PolarHBondContact O-N 2.93Å; E457-R459 VanDerWaalsContact C-N 3.32Å; E457-R459 PolarHBondContact O-N 3.42Å; E457-I460 PolarHBondContact O-N 3.23Å; E457-M461 HydrophobicContact CB-CE 4.39Å; E457-M461 WeakPolarHBondContact O-CG 3.28Å; E457-M461 PolarHBondContact O-N 3.49Å
458L88.1Confident91.3Very high94 Ų94104.4 Ų104.449%0.49252%0.516SS..Hα-helixtrans-59.6-41.6172.7-76.6168.1000111.6L454 I460 M461 Q462L454-L458 WeakPolarHBondContact O-CB 3.37Å; L454-L458 VanDerWaalsContact O-CG 3.29Å; L454-L458 WeakPolarHBondContact O-CG 3.36Å; L454-L458 PolarHBondContact O-N 3.05Å; L458-I460 PolarHBondContact O-N 3.15Å; L458-M461 HydrophobicContact CD2-CE 4.19Å; L458-M461 PolarHBondContact O-N 3.4Å; L458-Q462 WeakPolarHBondContact O-CB 3.38Å; L458-Q462 VanDerWaalsContact O-CG 3.27Å; L458-Q462 WeakPolarHBondContact O-CG 3.44Å; L458-Q462 PolarHBondContact O-N 2.62Å
459R93.6Very high91.3Very high154 Ų154104.7 Ų104.758%0.58152%0.516SS*.Hα-helixtrans-63.5-39.9175.4-163.1-175.5-58.8138.716.8111.9S455 D456 E457 K463S455-R459 WeakPolarHBondContact O-CB 3.11Å; S455-R459 PolarHBondContact O-N 3.1Å; D456-R459 WeakPolarHBondContact O-CB 3.45Å; D456-R459 PolarHBondContact O-N 3.5Å; D456-R459 IonicContact OD1-CZ 3.22Å; D456-R459 IonicContact OD1-NE 3.77Å; D456-R459 IonicContact OD1-NH1 2.67Å; D456-R459 PolarHBondContact OD1-NH1 3.18Å; D456-R459 IonicContact OD1-NH2 3.52Å; D456-R459 PolarHBondContact OD1-NH2 3.4Å; E457-R459 VanDerWaalsContact C-N 3.32Å; E457-R459 PolarHBondContact O-N 3.42Å; R459-K463 WeakPolarHBondContact O-CB 3.48Å; R459-K463 PolarHBondContact O-N 3.31Å
460I93.3Very high91.1Very high95 Ų95101.3 Ų101.349%0.48751%0.509SS..Hα-helixtrans-66.6-43.1175.6-69164.1000110.9D456 E457 L458 K463 K464D456-I460 VanDerWaalsContact O-CG1 3.32Å; D456-I460 WeakPolarHBondContact O-CG1 3.46Å; D456-I460 PolarHBondContact O-N 2.68Å; E457-I460 PolarHBondContact O-N 3.23Å; L458-I460 PolarHBondContact O-N 3.15Å; I460-K463 PolarHBondContact O-N 3.19Å; I460-K464 HydrophobicContact CG2-CD 4.46Å; I460-K464 WeakPolarHBondContact O-CG 3.49Å; I460-K464 PolarHBondContact O-N 2.85Å
461M89.9Confident91Very high105 Ų105102.9 Ų102.952%0.51751%0.512SS..Hα-helixtrans-64.2-44.5176.2-76.5-170.2-85.400112.1E457 L458 K463 K464 L465E457-M461 HydrophobicContact CB-CE 4.39Å; E457-M461 WeakPolarHBondContact O-CG 3.28Å; E457-M461 PolarHBondContact O-N 3.49Å; L458-M461 HydrophobicContact CD2-CE 4.19Å; L458-M461 PolarHBondContact O-N 3.4Å; M461-K463 VanDerWaalsContact C-N 3.33Å; M461-K463 PolarHBondContact O-N 3.28Å; M461-K464 PolarHBondContact O-N 2.68Å; M461-L465 WeakPolarHBondContact O-CB 3.46Å; M461-L465 PolarHBondContact O-N 2.83Å
462Q89.6Confident90.9Very high123 Ų123102 Ų10258%0.57551%0.507SS*.Hα-helixtrans-58.6-43.5174.4-74.8172.2-1.400111.8L458 L465 Q466L458-Q462 WeakPolarHBondContact O-CB 3.38Å; L458-Q462 VanDerWaalsContact O-CG 3.27Å; L458-Q462 WeakPolarHBondContact O-CG 3.44Å; L458-Q462 PolarHBondContact O-N 2.62Å; Q462-L465 PolarHBondContact O-N 3.05Å; Q462-Q466 WeakPolarHBondContact O-CG 3.4Å; Q462-Q466 PolarHBondContact O-N 2.85Å
463K94Very high90.8Very high151 Ų15199.6 Ų99.666%0.65750%0.498SS*.Hα-helixtrans-62.6-45.6176.5-171.7174.6-179.1179.20112.1R459 I460 M461 L465 Q466 T467R459-K463 WeakPolarHBondContact O-CB 3.48Å; R459-K463 PolarHBondContact O-N 3.31Å; I460-K463 PolarHBondContact O-N 3.19Å; M461-K463 VanDerWaalsContact C-N 3.33Å; M461-K463 PolarHBondContact O-N 3.28Å; K463-L465 VanDerWaalsContact C-N 3.31Å; K463-L465 PolarHBondContact O-N 2.81Å; K463-Q466 PolarHBondContact O-N 3.18Å; K463-T467 PolarHBondContact O-N 3.03Å; K463-T467 PolarHBondContact O-OG1 3.47Å
464K91.6Very high90.6Very high136 Ų13698.9 Ų98.959%0.59149%0.494SS*.Hα-helixtrans-59.8-41.1174.5-73.7177.7178.1179.90111.9I460 M461 T467 L468I460-K464 HydrophobicContact CG2-CD 4.46Å; I460-K464 WeakPolarHBondContact O-CG 3.49Å; I460-K464 PolarHBondContact O-N 2.85Å; M461-K464 PolarHBondContact O-N 2.68Å; K464-T467 WeakPolarHBondContact O-CB 3.48Å; K464-T467 PolarHBondContact O-N 3.26Å; K464-L468 WeakPolarHBondContact O-CG 3.32Å; K464-L468 PolarHBondContact O-N 3.36Å
465L91.4Very high90.3Very high97 Ų9799.8 Ų99.851%0.50850%0.499SS..Hα-helixtrans-66.9-39.2179.9-167.4150.8000111.7M461 Q462 K463 L468 Q469M461-L465 WeakPolarHBondContact O-CB 3.46Å; M461-L465 PolarHBondContact O-N 2.83Å; Q462-L465 PolarHBondContact O-N 3.05Å; K463-L465 VanDerWaalsContact C-N 3.31Å; K463-L465 PolarHBondContact O-N 2.81Å; L465-L468 PolarHBondContact O-N 2.67Å; L465-Q469 HydrophobicContact CD2-CG 4.15Å; L465-Q469 WeakPolarHBondContact O-CB 3.48Å; L465-Q469 WeakPolarHBondContact O-CG 3.38Å; L465-Q469 PolarHBondContact O-N 3.18Å
466Q90.3Very high89.8Confident131 Ų131106 Ų10661%0.61252%0.515SS*.Hα-helixtrans-63.5-42.5171.6-74.1179-9.700112.5Q462 K463 Q469 S470Q462-Q466 WeakPolarHBondContact O-CG 3.4Å; Q462-Q466 PolarHBondContact O-N 2.85Å; K463-Q466 PolarHBondContact O-N 3.18Å; Q466-Q469 PolarHBondContact O-N 3.1Å; Q466-S470 PolarHBondContact O-N 2.86Å
467T91.9Very high89.3Confident63 Ų63108.1 Ų108.139%0.38752%0.521SS..Hα-helixtrans-57.2-53.8174-60.40000110.7K463 K464 Q469 S470 E471K463-T467 PolarHBondContact O-N 3.03Å; K463-T467 PolarHBondContact O-OG1 3.47Å; K464-T467 WeakPolarHBondContact O-CB 3.48Å; K464-T467 PolarHBondContact O-N 3.26Å; T467-Q469 VanDerWaalsContact C-N 3.32Å; T467-Q469 PolarHBondContact O-N 2.98Å; T467-S470 PolarHBondContact O-N 3.27Å; T467-S470 PolarHBondContact O-OG 2.87Å; T467-E471 WeakPolarHBondContact CG2-OE1 3.45Å; T467-E471 WeakPolarHBondContact O-CG 3.37Å; T467-E471 PolarHBondContact O-N 3.25Å
468L91.2Very high88.6Confident110 Ų110108 Ų10858%0.57652%0.52SS*.Hα-helixtrans-60.3-36.9179.2-70.5168.7000112.9K464 L465 N472K464-L468 WeakPolarHBondContact O-CG 3.32Å; K464-L468 PolarHBondContact O-N 3.36Å; L465-L468 PolarHBondContact O-N 2.67Å; L468-N472 WeakPolarHBondContact O-CB 3.39Å; L468-N472 PolarHBondContact O-N 3.03Å
469Q89.4Confident87.7Confident121 Ų121106.1 Ų106.157%0.56552%0.518SS*.Hα-helixtrans-64.9-39.8173.2-78.6178.6-20.100112.3L465 Q466 T467 S473L465-Q469 HydrophobicContact CD2-CG 4.15Å; L465-Q469 WeakPolarHBondContact O-CB 3.48Å; L465-Q469 WeakPolarHBondContact O-CG 3.38Å; L465-Q469 PolarHBondContact O-N 3.18Å; Q466-Q469 PolarHBondContact O-N 3.1Å; T467-Q469 VanDerWaalsContact C-N 3.32Å; T467-Q469 PolarHBondContact O-N 2.98Å; Q469-S473 WeakPolarHBondContact O-CB 3.38Å; Q469-S473 PolarHBondContact O-N 3.05Å
470S88.8Confident86.4Confident60 Ų60102.5 Ų102.542%0.4251%0.514SS..Hα-helixtrans-68.2-40176.976.90000112.1Q466 T467 S473 N474Q466-S470 PolarHBondContact O-N 2.86Å; T467-S470 PolarHBondContact O-N 3.27Å; T467-S470 PolarHBondContact O-OG 2.87Å; S470-S473 PolarHBondContact O-N 3.24Å; S470-N474 WeakPolarHBondContact O-CB 3.49Å; S470-N474 VanDerWaalsContact O-CG 3.26Å; S470-N474 PolarHBondContact O-N 3.38Å; S470-N474 PolarHBondContact O-ND2 3.37Å
471E90.2Very high84.9Confident98 Ų98102 Ų10246%0.45852%0.515SS..Hα-helixtrans-63.6-46.9173.5-70.5170.3-179.200111.4T467 S473 N474 L475T467-E471 WeakPolarHBondContact CG2-OE1 3.45Å; T467-E471 WeakPolarHBondContact O-CG 3.37Å; T467-E471 PolarHBondContact O-N 3.25Å; E471-S473 VanDerWaalsContact C-N 3.3Å; E471-S473 PolarHBondContact O-N 3.36Å; E471-N474 PolarHBondContact O-N 3.24Å; E471-N474 VanDerWaalsContact O-N 3.15Å; E471-L475 WeakPolarHBondContact O-CB 3.5Å; E471-L475 WeakPolarHBondContact O-CG 3.36Å; E471-L475 PolarHBondContact O-N 2.9Å
472N87.3Confident83.3Confident81 Ų81101.8 Ų101.843%0.43352%0.516SS..Hα-helixtrans-62.7-37.3177.2-151.6-81.6000111.8L468 R476L468-N472 WeakPolarHBondContact O-CB 3.39Å; L468-N472 PolarHBondContact O-N 3.03Å; N472-R476 WeakPolarHBondContact O-CB 3.38Å; N472-R476 VanDerWaalsContact O-CG 3.23Å; N472-R476 WeakPolarHBondContact O-CG 3.34Å; N472-R476 PolarHBondContact O-N 2.87Å; N472-R476 PolarHBondContact OD1-NE 3.37Å
473S88.9Confident81.5Confident51 Ų51100.2 Ų100.236%0.35751%0.514SS..Hα-helixtrans-64.2-42.3173.5-171.70000111.9Q469 S470 E471 R476 K477Q469-S473 WeakPolarHBondContact O-CB 3.38Å; Q469-S473 PolarHBondContact O-N 3.05Å; S470-S473 PolarHBondContact O-N 3.24Å; E471-S473 VanDerWaalsContact C-N 3.3Å; E471-S473 PolarHBondContact O-N 3.36Å; S473-R476 PolarHBondContact O-N 3.22Å; S473-K477 VanDerWaalsContact O-CG 3.31Å; S473-K477 WeakPolarHBondContact O-CG 3.35Å; S473-K477 PolarHBondContact O-N 3.14Å
474N86.8Confident79.2Confident81 Ų81101.2 Ų101.243%0.43352%0.515SS..Hα-helixtrans-69.5-40.5177.3-70-21.1000112.4S470 E471 R476 K477 Q478S470-N474 WeakPolarHBondContact O-CB 3.49Å; S470-N474 VanDerWaalsContact O-CG 3.26Å; S470-N474 PolarHBondContact O-N 3.38Å; S470-N474 PolarHBondContact O-ND2 3.37Å; E471-N474 PolarHBondContact O-N 3.24Å; E471-N474 VanDerWaalsContact O-N 3.15Å; N474-R476 PolarHBondContact O-N 2.68Å; N474-K477 PolarHBondContact O-N 3.34Å; N474-Q478 WeakPolarHBondContact O-CG 3.2Å; N474-Q478 PolarHBondContact O-N 3.39Å
475L84.6Confident76.9Confident106 Ų106102.2 Ų102.256%0.55552%0.522SS*.Hα-helixtrans-62.5-40.6173.3-72168.4000111.9E471 Q478 A479E471-L475 WeakPolarHBondContact O-CB 3.5Å; E471-L475 WeakPolarHBondContact O-CG 3.36Å; E471-L475 PolarHBondContact O-N 2.9Å; L475-Q478 PolarHBondContact O-N 3.39Å; L475-A479 WeakPolarHBondContact O-CB 3.34Å; L475-A479 PolarHBondContact O-N 2.96Å
476R80.8Confident74.7Confident179 Ų179103.5 Ų103.568%0.67553%0.534SS*.Hα-helixtrans-62.6-41173.2-75.3170.9-176.6-120.7-1.2112.3N472 S473 N474 A479 T480N472-R476 WeakPolarHBondContact O-CB 3.38Å; N472-R476 VanDerWaalsContact O-CG 3.23Å; N472-R476 WeakPolarHBondContact O-CG 3.34Å; N472-R476 PolarHBondContact O-N 2.87Å; N472-R476 PolarHBondContact OD1-NE 3.37Å; S473-R476 PolarHBondContact O-N 3.22Å; N474-R476 PolarHBondContact O-N 2.68Å; R476-A479 PolarHBondContact O-N 3.03Å; R476-T480 PolarHBondContact O-N 3.15Å; R476-T480 PolarHBondContact O-OG1 2.98Å
477K81Confident72.1Confident118 Ų118105 Ų10551%0.51354%0.54SS..Hα-helixtrans-64.5-43.4174.6-71167.5-172.8172.10112.1S473 N474 A479 T480 T481S473-K477 VanDerWaalsContact O-CG 3.31Å; S473-K477 WeakPolarHBondContact O-CG 3.35Å; S473-K477 PolarHBondContact O-N 3.14Å; N474-K477 PolarHBondContact O-N 3.34Å; K477-A479 VanDerWaalsContact C-N 3.34Å; K477-A479 PolarHBondContact O-N 3.36Å; K477-T480 PolarHBondContact O-N 3.46Å; K477-T480 PolarHBondContact O-OG1 3.09Å; K477-T481 PolarHBondContact O-N 3.32Å; K477-T481 PolarHBondContact O-OG1 3.17Å; K477-T481 VanDerWaalsContact O-OG1 3.11Å
478Q77.3Confident69.3Low113 Ų113108.1 Ų108.153%0.52856%0.56SS.*Hα-helixtrans-61.7-42.6175.7-74.6174.2-9.100111.5N474 L475 T480 T481 N482N474-Q478 WeakPolarHBondContact O-CG 3.2Å; N474-Q478 PolarHBondContact O-N 3.39Å; L475-Q478 PolarHBondContact O-N 3.39Å; Q478-T480 PolarHBondContact O-N 2.64Å; Q478-T481 WeakPolarHBondContact CA-OG1 3.45Å; Q478-T481 PolarHBondContact O-N 2.63Å; Q478-T481 PolarHBondContact O-OG1 2.89Å; Q478-N482 VanDerWaalsContact O-CG 3.22Å; Q478-N482 PolarHBondContact O-N 3.23Å; Q478-N482 PolarHBondContact O-OD1 3.34Å
479A70.4Confident66.3Low55 Ų55106.9 Ų106.946%0.45557%0.573SS.*Hα-helixtrans-60.9-41.5174.500000112.2L475 R476 K477 N482 V483L475-A479 WeakPolarHBondContact O-CB 3.34Å; L475-A479 PolarHBondContact O-N 2.96Å; R476-A479 PolarHBondContact O-N 3.03Å; K477-A479 VanDerWaalsContact C-N 3.34Å; K477-A479 PolarHBondContact O-N 3.36Å; A479-N482 PolarHBondContact O-N 2.79Å; A479-V483 WeakPolarHBondContact O-CG2 3.22Å; A479-V483 PolarHBondContact O-N 3.44Å
480T65.2Low63.5Low79 Ų79106.8 Ų106.849%0.48559%0.586SS.*Hα-helixtrans-70.1-37.9176.550.90000113.2R476 K477 Q478 N482 V483 Y484R476-T480 PolarHBondContact O-N 3.15Å; R476-T480 PolarHBondContact O-OG1 2.98Å; K477-T480 PolarHBondContact O-N 3.46Å; K477-T480 PolarHBondContact O-OG1 3.09Å; Q478-T480 PolarHBondContact O-N 2.64Å; T480-N482 VanDerWaalsContact C-N 3.31Å; T480-N482 PolarHBondContact O-N 3.13Å; T480-V483 PolarHBondContact O-N 3.28Å; T480-Y484 VanDerWaalsContact O-CD2 3.25Å; T480-Y484 WeakPolarHBondContact O-CD2 3.21Å; T480-Y484 PolarHBondContact O-N 3.4Å
481T61.8Low60.7Low84 Ų84111.5 Ų111.552%0.51560%0.602SS.*Hα-helixtrans-62.4-37.7173.239.50000112.6K477 Q478 V483 Y484 Q485K477-T481 PolarHBondContact O-N 3.32Å; K477-T481 PolarHBondContact O-OG1 3.17Å; K477-T481 VanDerWaalsContact O-OG1 3.11Å; Q478-T481 WeakPolarHBondContact CA-OG1 3.45Å; Q478-T481 PolarHBondContact O-N 2.63Å; Q478-T481 PolarHBondContact O-OG1 2.89Å; T481-V483 VanDerWaalsContact C-N 3.25Å; T481-V483 PolarHBondContact O-N 3.02Å; T481-Y484 PolarHBondContact O-N 3.32Å; T481-Q485 PolarHBondContact O-N 2.91Å
482N55.8Low57.8Low101 Ų101115.7 Ų115.754%0.5462%0.615SS.*Hα-helixtrans-68.3-23.8178-68.43000112.8Q478 A479 T480Q478-N482 VanDerWaalsContact O-CG 3.22Å; Q478-N482 PolarHBondContact O-N 3.23Å; Q478-N482 PolarHBondContact O-OD1 3.34Å; A479-N482 PolarHBondContact O-N 2.79Å; T480-N482 VanDerWaalsContact C-N 3.31Å; T480-N482 PolarHBondContact O-N 3.13Å
483V52.1Low55.1Low89 Ų89118 Ų11854%0.53963%0.632SS.*Hα-helixtrans-74.1-45.2171.8171.60000110.9A479 T480 T481 Q485 V486A479-V483 WeakPolarHBondContact O-CG2 3.22Å; A479-V483 PolarHBondContact O-N 3.44Å; T480-V483 PolarHBondContact O-N 3.28Å; T481-V483 VanDerWaalsContact C-N 3.25Å; T481-V483 PolarHBondContact O-N 3.02Å; V483-Q485 VanDerWaalsContact C-N 3.33Å; V483-Q485 PolarHBondContact O-N 2.66Å; V483-V486 PolarHBondContact O-N 2.94Å
484Y45.4Very low52.1Low173 Ų173122.8 Ų122.868%0.67865%0.654SS**Hα-helixtrans-70.4-25.4-179.4-73.5-69.3000113.8T480 T481 V486 Q487T480-Y484 VanDerWaalsContact O-CD2 3.25Å; T480-Y484 WeakPolarHBondContact O-CD2 3.21Å; T480-Y484 PolarHBondContact O-N 3.4Å; T481-Y484 PolarHBondContact O-N 3.32Å; Y484-V486 PolarHBondContact O-N 3.01Å; Y484-Q487 PolarHBondContact O-N 3.46Å
485Q45.1Very low49.3Very low157 Ų157124.9 Ų124.973%0.73467%0.669SS**THydrogen-bonded Turntrans-67.5-10.5172.6-98.7-174.6-26.900114.8T481 V483T481-Q485 PolarHBondContact O-N 2.91Å; V483-Q485 VanDerWaalsContact C-N 3.33Å; V483-Q485 PolarHBondContact O-N 2.66Å
486V44.5Very low46.7Very low124 Ų124124.5 Ų124.575%0.75268%0.676SS**THydrogen-bonded Turntrans-97.3-5.1177.3-176.80000112V483 Y484V483-V486 PolarHBondContact O-N 2.94Å; Y484-V486 PolarHBondContact O-N 3.01Å
487Q35.8Very low44.3Very low161 Ų161122.9 Ų122.975%0.75268%0.68SS**  trans-133.660.4-175.7-69.4-170-23.900113.5Y484Y484-Q487 PolarHBondContact O-N 3.46Å
488T32Very low41.9Very low130 Ų130125.5 Ų125.580%0.79869%0.694SS**  trans-132.810716350.80000110.7
489G29.3Very low39.6Very low83 Ų83124.6 Ų124.686%0.85670%0.7SS**  trans136.882.216800000116
490S31.2Very low37.7Very low120 Ų120126.7 Ų126.784%0.83971%0.711SS**  trans-167.3107144.1-168.80000112.5
491E28.9Very low35.9Very low158 Ų158129.9 Ų129.974%0.73873%0.725SS**  trans-162121.4152.6-106.8-171.4-179.700102.8
492Y29.3Very low34.3Very low187 Ų187133.8 Ų133.873%0.73374%0.735SS**SBendcis-138.9-179.618.2-95.4-97.1000112.8
493T30.3Very low32.9Very low130 Ų130139.7 Ų139.780%0.79875%0.749SS**  trans94.2121.4166.1670000118.8
494D26.2Very low31.8Very low151 Ų151147 Ų14781%0.80777%0.767SS**  trans32.6127.5154.5-58.8-9.4000120.3
495T27.5Very low32.1Very low125 Ų125144.1 Ų144.177%0.76777%0.77SS**  cis-158.5156.945.640.60000115
496S31.1Very low31.4Very low98 Ų98142.2 Ų142.269%0.68577%0.774SS**  trans63.6117.7145.765.40000123.4
497N31.1Very low30.9Very low145 Ų145140.4 Ų140.478%0.77577%0.772SS**  trans72.494130.3-63.3-8.1000122.8
498H30.2Very low30.7Very low173 Ų173145 Ų14580%0.80178%0.782SS**  59.3112.9114.4-86.4-86.5000122.4
499S28Very low30.5Very low94 Ų94142.8 Ų142.866%0.65779%0.785SS**  93.3105.9118.674.80000121.9
500S30.8Very low30.7Very low98 Ų98144.5 Ų144.569%0.68578%0.784SS**  61.8121.312566.70000123.2
501L28.6Very low30.9Very low146 Ų146150 Ų15076%0.76479%0.787SS**  trans86.5132.5133.3-71.6168.6000122.4
502K26.9Very low31.4Very low167 Ų167149 Ų14973%0.72679%0.793SS**  trans77.6115.3146.3-70.4165.7-177.21730121
503R25.8Very low31.5Very low224 Ų224149 Ų14985%0.84580%0.802SS**  trans60.1112130.3-60.8-179-179.3-173.5-0120.2
504R30.3Very low31.8Very low242 Ų242147.9 Ų147.991%0.91380%0.8SS**  49.8158.2121.1-85.7-167.3175.5-168.8-0.9120.7
505P50.5Low32.2Very low113 Ų113147.6 Ų147.673%0.73480%0.796SS**  cis-143.4175.1-22.139.2-20.9000116.5
506S30.6Very low32.7Very low118 Ų118152.5 Ų152.583%0.82580%0.802SS**  trans91.4145.8139-148.80000122.6
507A33.6Very low32.8Very low85 Ų85156.5 Ų156.570%0.70281%0.81SS**  trans99124141.600000122.8
508R31.7Very low33.1Very low258 Ų258156.7 Ų156.797%0.97482%0.816SS**  trans68.4135.3151.9-67.6179.4173.7-180-1.5120.5
509G29.6Very low33.2Very low83 Ų83152 Ų15286%0.85682%0.815SS**  trans173.3102.4166.900000115.6
510S32.2Very low33.5Very low120 Ų120153.8 Ų153.884%0.83983%0.827SS**  trans-39.6147.5-178.7-54.30000122.5
511R36.2Very low33.4Very low236 Ų236152.1 Ų152.189%0.89183%0.826SS**  10.7146.3126.2-76.3-175.6-176.1-164.71.1118.9
512P39.6Very low33.6Very low135 Ų135155 Ų15588%0.87784%0.835SS**  -142.7-153.760.642.4-23.2000116.6
513M30Very low33.7Very low187 Ų187156.4 Ų156.492%0.92184%0.841SS**  trans-145.4151.5-148.9-171.7168.5176.400110.9
514S37.4Very low34.1Very low108 Ų108151.3 Ų151.376%0.75584%0.837SS**  trans-155.6114.3168.3-162.90000114.9
515M33.7Very low34Very low145 Ų145150.2 Ų150.271%0.71484%0.835SS**  trans46.191.4135.3-53.9-61.8-75.100120.4
516Y38.4Very low32.9Very low228 Ų228152.5 Ų152.589%0.89484%0.839SS**  -174.8144.1101.6-102.2-72.4000110.1
517E33.1Very low33.5Very low182 Ų182152.4 Ų152.485%0.8584%0.836SS**  trans-144.2128.8-168.7-179.8177.3-130.400112.7
518T37.4Very low33.2Very low148 Ų148157 Ų15791%0.90885%0.845SS**  trans178.9132.2150.524.50000106.3
519G32.6Very low32.8Very low76 Ų76148.3 Ų148.378%0.78484%0.836SS**  cis137.4124.3-2.500000110.1
520S34.1Very low32.5Very low131 Ų131153.9 Ų153.992%0.91684%0.84SS**  cis-155.5-173.8-1.475.30000108.9
521G30.2Very low32.1Very low63 Ų63152.5 Ų152.565%0.64984%0.836SS**  cis172.2-154.810.300000113.9
522Q31.3Very low31.5Very low206 Ų206146.6 Ų146.696%0.96383%0.831SS**  trans79.9161.6-175.2-56.3-161.7-8.500117.2
523K29.1Very low30.8Very low197 Ų197149.4 Ų149.486%0.85782%0.824SS**  trans-108167.8-153.8-82.9177179.4175.90111.4
524P35Very low30.6Very low116 Ų116146.9 Ų146.975%0.75382%0.821SS**  cis-151.9-179.538.343.5-21.3000120.5
525Y28.1Very low30Very low220 Ų220148.4 Ų148.486%0.86382%0.817SS**  trans8.2139.9155.9-82.1-88.8000123.9
526L27.2Very low29.7Very low160 Ų160149.9 Ų149.984%0.83882%0.822SS**  trans-152.1168155.4-69.5178.3000108.6
527P44Very low29Very low117 Ų117144.1 Ų144.176%0.7681%0.814SS**  cis-112.8-131.3-22.521.34.3000108.1
528M26.2Very low28.7Very low181 Ų181147.1 Ų147.189%0.89282%0.818SS**  cis-165136.4-0.4-163.5172.5176.300112.6
529G24.1Very low28.2Very low76 Ų76147.2 Ų147.278%0.78482%0.819SS**  trans81145.2155.500000118.7
530E23.3Very low27.8Very low200 Ų200154.8 Ų154.894%0.93582%0.823SS**  cis-16099.6-12-176.2171.3-121.300110.5
531A22.5Very low27.4Very low91 Ų91155.5 Ų155.575%0.75282%0.816SS**  trans-167.2142.716800000115
532S23.7Very low27.2Very low112 Ų112161 Ų16178%0.78383%0.825SS**  trans73.9142.1153.1780000122
533R24.5Very low27.2Very low194 Ų194156.5 Ų156.573%0.73281%0.814SS**  trans55.2143.1161.1-65.3-169-177.5-156.62.2121.3E535R533-E535 IonicContact CZ-OE2 3.32Å; R533-E535 IonicContact NH1-OE1 3.94Å; R533-E535 IonicContact NH1-OE2 2.98Å; R533-E535 PolarHBondContact NH1-OE2 3.17Å
534P27.3Very low27.1Very low133 Ų133156.7 Ų156.786%0.86482%0.815SS**  trans-112.2129.9142.534.8-24.2000111
535E24.6Very low26.9Very low141 Ų141157.2 Ų157.266%0.65982%0.818SS**  trans-143.9135.7175.5-163.4156.5-157.800109.7R533R533-E535 IonicContact CZ-OE2 3.32Å; R533-E535 IonicContact NH1-OE1 3.94Å; R533-E535 IonicContact NH1-OE2 2.98Å; R533-E535 PolarHBondContact NH1-OE2 3.17Å
536E27.4Very low26.9Very low176 Ų176150.8 Ų150.882%0.82281%0.811SS**  trans23.7126.9172.1-57-162139.800122.6
537S22.6Very low27Very low106 Ų106152 Ų15274%0.74181%0.812SS**  -170.4123.9109.9-88.50000116
538R27.6Very low26.2Very low245 Ų245153.9 Ų153.993%0.92581%0.814SS**  trans25.6109.5142.6-66173.5164.7137.1-5.8119.3
539T26.2Very low26.2Very low150 Ų150149 Ų14992%0.9281%0.81SS**  trans-133.1158.4152.937.90000113
540R25.3Very low26.4Very low235 Ų235157.3 Ų157.389%0.88782%0.818SS**  trans-77.7157.2-170.5-178.8179.9-79.5-155.2-3.1113.2
541L24.9Very low26.4Very low146 Ų146153.3 Ų153.376%0.76481%0.812SS**  trans-44.6141.6177-61.3164.4000114.8
542Q26.1Very low26.5Very low178 Ų178153.7 Ų153.783%0.83282%0.815SS**  trans-108.5148.1163.5-78.6-79.2-1300109.5
543P31.5Very low26.5Very low112 Ų112158.1 Ų158.173%0.72782%0.82SS**PPolyproline II helixtrans-84.7158.8-177.934.5-34.8000113.5
544F27.8Very low26.5Very low201 Ų201155.6 Ų155.688%0.88283%0.826SS**PPolyproline II helixtrans-70.1151174.9-73.8-86.4000112.9
545P30.1Very low26.3Very low127 Ų127155.3 Ų155.383%0.82582%0.822SS**PPolyproline II helixtrans-76.5154.7174.633.1-35.7000112.2
546A27.8Very low26.2Very low85 Ų85154.6 Ų154.670%0.70283%0.833SS**  trans-138.5125.5178.100000112
547H29.1Very low26Very low186 Ų186151.3 Ų151.386%0.86183%0.829SS**  trans-176147.1162.3-81.6-30.4000107.1
548I28.2Very low26.1Very low156 Ų156151.8 Ų151.880%0.883%0.833SS**  cis-152.3147.5-5.8-109.1159.1000108
549G24.8Very low25.9Very low79 Ų79145.6 Ų145.681%0.81483%0.827SS**  trans-175.9105.517100000111.7
550R28.9Very low25.8Very low250 Ų250146.9 Ų146.994%0.94383%0.828SS**  trans-100.6135.4-176.7-81.6179.4164-169.4-3.3111.9
551S23.6Very low25.8Very low116 Ų116141.6 Ų141.681%0.81182%0.823SS**  trans-159.3130.3143.855.60000112.7
552A24.5Very low25.7Very low99 Ų99140.1 Ų140.182%0.81883%0.826SS**  trans35121.415800000121.2
553F22.9Very low25.5Very low205 Ų205141 Ų14190%0.89983%0.827SS**  trans-81.2140.5154.7-73.2-98.3000110.5
554V25Very low25.1Very low141 Ų141141.5 Ų141.586%0.85583%0.83SS**  trans-134.9125.7151.3-178.60000107.8
555T23.1Very low24.8Very low127 Ų127136.9 Ų136.978%0.77982%0.823SS**  trans-89.1134.9176.9490000110.9
556S23.9Very low24.6Very low127 Ų127137.6 Ų137.689%0.88883%0.825SS**  trans-156.9154.5153.4-121.80000112.6
557S22.9Very low24.3Very low106 Ų106141.1 Ų141.174%0.74183%0.831SS**  trans-70.5148.5-166.148.80000115.9
558S23.3Very low24Very low116 Ų116138 Ų13881%0.81183%0.83SS**  trans-46139162.351.60000115.8
559S23.8Very low23.8Very low116 Ų116142.1 Ų142.181%0.81184%0.836SS**  trans-150.2131.5148.4520000110.6
560L25.2Very low23.6Very low177 Ų177144.2 Ų144.293%0.92784%0.838SS**PPolyproline II helixtrans-94.3139.2172.1-71.1167.6000109.4
561P24.3Very low23.3Very low123 Ų123142.7 Ų142.780%0.79983%0.833SS**PPolyproline II helixtrans-101.9135.6157.912.96000111.2
562S22.5Very low23.4Very low116 Ų116143.6 Ų143.681%0.81183%0.828SS**PPolyproline II helixtrans-72.7156.2-175.8-48.40000114.4
563F22.4Very low23.3Very low195 Ų195148.3 Ų148.386%0.85583%0.833SS**PPolyproline II helixtrans-63.9140.9160-66.4-92.1000111.4
564P24.1Very low23.3Very low124 Ų124143.3 Ų143.381%0.80582%0.824SS**PPolyproline II helixtrans-97.5127.5153.633.5-26.1000110.5
565S21.2Very low23.3Very low103 Ų103141.1 Ų141.172%0.7282%0.821SS**  trans-94.9177.3174.5-59.20000112
566T25.1Very low23.5Very low143 Ų143146.4 Ų146.488%0.87783%0.826SS**  trans82.6128.4169.271.20000117.5
567L22Very low23.6Very low158 Ų158152.4 Ų152.483%0.82783%0.83SS**  trans-90.9146.5165.2-68.1158.5000108.5
568S22.1Very low23.7Very low121 Ų121152.4 Ų152.485%0.84684%0.836SS**  trans-137.5136.6154.561.80000109.5
569W23.4Very low23.8Very low242 Ų242152.8 Ų152.892%0.91784%0.839SS**  trans-101.1123.8178.1-74.764000108.9
570S21.6Very low24Very low123 Ų123156.7 Ų156.786%0.8684%0.836SS**  trans-109.3115.9164.658.10000109.5
571R23.4Very low24Very low219 Ų219156.8 Ų156.883%0.82684%0.836SS**  trans-81.9150.9171.6172.2-172.3-78.8-168.7-2.5109.7
572D24.1Very low24.1Very low134 Ų134155.7 Ų155.772%0.71782%0.82SS**  trans61.2115.2169-64.2-35.7000117.9
573E22.2Very low24.4Very low198 Ų198158.5 Ų158.593%0.92582%0.818SS**  -139.1142.2118.2-163.4169.4141.400109.6
574S23.7Very low24.6Very low101 Ų101158.1 Ų158.171%0.70682%0.819SS**  trans-114.2146.1-175-84.80000113.2
575A25.4Very low24.6Very low95 Ų95159.5 Ų159.579%0.78582%0.819SS**  trans85.7158.5156.700000120.1
576R27.5Very low24.8Very low237 Ų237160.4 Ų160.489%0.89483%0.825SS**  trans70.791.4167-54-172.6-178.1-148.7-0.5117.8
577R26.5Very low25.1Very low254 Ų254160.1 Ų160.196%0.95882%0.824SS**  -155.4116.394.7-104.3169.6-171.5-176.63.5112
578A23.4Very low25.9Very low105 Ų105157.7 Ų157.787%0.86882%0.817SS**  trans-105.7146159.700000108.4
579S26.2Very low26Very low125 Ų125160.6 Ų160.687%0.87482%0.818SS**  trans-140.1132.5160.4-1670000108.4
580R27.9Very low26.3Very low198 Ų198153.8 Ų153.875%0.74781%0.807SS**  trans-87.9155.6178.6-71.2-178.6171.2-165.50.7110.4E582R580-E582 IonicContact CZ-OE1 3.51Å; R580-E582 IonicContact NH1-OE1 2.66Å; R580-E582 PolarHBondContact NH1-OE1 3.41Å
581L25.4Very low26.7Very low179 Ų179153.4 Ų153.494%0.93780%0.795SS**  trans-134.5148.9135.1-148.669.5000108.2
582E27.2Very low27.1Very low100 Ų100152.4 Ų152.447%0.46779%0.793SS.*  trans-119.9155.9-170.8-70.3-174.3-176.300112.9R580R580-E582 IonicContact CZ-OE1 3.51Å; R580-E582 IonicContact NH1-OE1 2.66Å; R580-E582 PolarHBondContact NH1-OE1 3.41Å
583K27.8Very low27.3Very low174 Ų174151.8 Ų151.876%0.75779%0.789SS**  trans70.4152159.6-70.6147.9-179.5155.30114.2
584Q25.9Very low27.7Very low187 Ų187148.7 Ų148.787%0.87478%0.779SS**  cis-135.1166.734.7-65.5170.3-7.300114.6
585N24.3Very low28.1Very low153 Ų153150 Ų15082%0.81878%0.783SS**  trans-84.9153.6172.5-64.51.7000111.3
586S26.6Very low29Very low122 Ų122150.6 Ų150.685%0.85378%0.779SS**  trans-155.7122.3153-70.30000111
587T31.3Very low29.1Very low138 Ų138145.6 Ų145.685%0.84777%0.77SS**  trans-119.8152.5157.743.70000108.1
588P38.8Very low29.2Very low106 Ų106138.8 Ų138.869%0.68875%0.753SS**  -131.4163.2116.340.3-30.3000109.7
589E24.4Very low29.6Very low182 Ų182141.7 Ų141.785%0.8575%0.75SS**  55.6134.254.5-62.3179.115100112.8
590S29.5Very low29.6Very low99 Ų99144.6 Ų144.669%0.69275%0.75SS**  cis-157.2-163.2-22.657.50000106.9
591D29.6Very low30.7Very low115 Ų115140.6 Ų140.662%0.61575%0.75SS**  cis-169.4165.68.9-133-36.7000112.3
592Y30.8Very low30.9Very low199 Ų199139.7 Ų139.778%0.7875%0.746SS**  trans54.6159.8161.9-69-70.5000119.8
593D29.8Very low30.8Very low120 Ų120137.5 Ų137.564%0.64275%0.75SS**  cis-153.816210.9-147.8-4000116.4
594N29.4Very low31Very low133 Ų133138.8 Ų138.871%0.71176%0.761SS**  trans61.5115.7151.6-83.2-50.3000125.4
595T33.5Very low31Very low128 Ų128133.3 Ų133.379%0.78576%0.756SS**  trans-71.7-170.215127.40000112.3
596P44Very low31.1Very low108 Ų108131.6 Ų131.670%0.70176%0.755SS**  cis-128.2-151.110.737-12.1000112.9
597N29.8Very low31Very low132 Ų132130.5 Ų130.571%0.70675%0.748SS**  cis-161.5179.312-140.912.7000108.9
598D28.8Very low30.8Very low112 Ų112135.3 Ų135.360%0.59975%0.75SS**  cis-160.3176.22.7-152.7-19000110.5
599M31.1Very low30.3Very low165 Ų165140.5 Ų140.581%0.81376%0.762SS**  trans62.188.6155.1-65.5-168.5177.200122.5
600E26.5Very low30.3Very low187 Ų187135.2 Ų135.287%0.87476%0.757SS**  trans-71.6-169.4133.9-79.9-159.6134.500111.8
601P50.7Low30.1Very low114 Ų114141.3 Ų141.374%0.7477%0.765SS**  cis-123-155.2-3.339.3-18.6000112
602D28.6Very low29.9Very low160 Ų160142.4 Ų142.486%0.85677%0.766SS**  cis-157.51685.6-161.339.7000108.3
603G26.2Very low29.8Very low54 Ų54143.3 Ų143.356%0.55777%0.768SS**  cis-176.5150.2-3.400000113.8
604M30.6Very low29.4Very low200 Ų200143.2 Ų143.299%0.98578%0.777SS**  trans25.8128.8153.7-149.665.3110.400122.1
605G26.1Very low29.4Very low73 Ų73144.3 Ų144.375%0.75378%0.78SS**  trans-150.5-29-175.100000124.2
606S26.4Very low28.9Very low116 Ų116145 Ų14581%0.81178%0.784SS**  trans72.8139.3169.6-158.10000122.9
607S24.3Very low28.2Very low100 Ų100151 Ų15170%0.69979%0.792SS**  trans73.4105.9143-67.50000126.1
608R28.8Very low28.7Very low238 Ų238150.8 Ų150.890%0.89880%0.798SS**  48.3144.7121.8-74.9-177.5167.1-176.2-3.1123.4
609K27.7Very low28.6Very low215 Ų215148.3 Ų148.394%0.93580%0.799SS**  trans84.3154.5172-55.1174.8-1781740114.8
610G23.8Very low28.3Very low72 Ų72148.8 Ų148.874%0.74281%0.805SS**  cis147.6126.1-1500000116
611R26.2Very low28.1Very low227 Ų227143.1 Ų143.186%0.85780%0.796SS**  trans63.4124.6163-87.5-172.6175.2-15011.2121.4
612Q25.8Very low27Very low138 Ų138146.2 Ų146.265%0.64581%0.806SS**  trans67.4116130.7-71.4-177.7-70.700123.1
613R27.3Very low27.2Very low217 Ų217144.6 Ų144.682%0.81980%0.801SS**  76.6122.7114.6-163.5-169.8-157.1-164.16.1120.1
614S21.7Very low27.9Very low118 Ų118148 Ų14883%0.82581%0.813SS**  trans-149.7170.5137.7-161.40000111.4
615M29.6Very low27.7Very low157 Ų157145 Ų14577%0.77380%0.802SS**  trans-133.4154.3175.2-72.9167.6140.700108.8
616V22.8Very low27.8Very low143 Ų143147.3 Ų147.387%0.86780%0.801SS**  trans-175.9163.3141.31390000110.7
617W30.1Very low28Very low232 Ų232146.3 Ų146.388%0.87980%0.8SS**  trans-95.7-174.1-171.2-65.669.9000111.9
618P40.4Very low28.2Very low128 Ų128149.5 Ų149.583%0.83180%0.804SS**  cis-121.3-141.5-0.446.7-29.9000111.4
619G25.3Very low28.5Very low60 Ų60144 Ų14462%0.61980%0.799SS**  cis174.51671.200000113
620D25.7Very low28.6Very low176 Ų176142.4 Ų142.494%0.94180%0.795SS**  trans42.5147.6165.6-52.8-22.5000121.5
621G22.9Very low29.1Very low67 Ų67145.4 Ų145.469%0.69180%0.798SS**  cis148.9121.6-10.400000113.9
622L26.8Very low29.4Very low180 Ų180138.6 Ų138.694%0.94279%0.791SS**  trans174.7157151.2-99.6162.5000112.8
623V33.6Very low29.9Very low125 Ų125138 Ų13876%0.75880%0.798SS**  trans-139.9159.6-177.3-147.60000109.7
624P40.8Very low30.4Very low125 Ų125131.9 Ų131.981%0.81279%0.789SS**  -148.2171.999.538.6-22.8000114
625D26.3Very low31.6Very low139 Ų139130.3 Ų130.374%0.74378%0.776SS**  cis-168.8179-29.6-174.422.5000107.9
626T28.5Very low33Very low121 Ų121128 Ų12874%0.74277%0.771SS**  trans92.5103.8167.967.60000120.3
627A29.6Very low34.8Very low95 Ų95123.3 Ų123.379%0.78574%0.741SS**  trans47.8102.8138.100000121.8
628E29Very low37Very low167 Ų167113 Ų11378%0.7870%0.703SS**  -175.9157.984.5-92.7-154.1159.900112H630E628-H630 PolarHBondContact O-N 2.95Å
629P34.6Very low38.9Very low123 Ų123109.3 Ų109.380%0.79968%0.681SS**  trans-89.686.7-172.135.2-34.7000113.5V631P629-V631 PolarHBondContact O-N 2.92Å
630H31Very low41.6Very low181 Ų181107.9 Ų107.984%0.83866%0.66SS**PPolyproline II helixtrans-70.5129.9171.2-82.5-63.8000113E628 A632E628-H630 PolarHBondContact O-N 2.95Å; H630-A632 PolarHBondContact O-N 3.34Å
631V33.1Very low44.1Very low135 Ų135104.8 Ų104.882%0.81864%0.64SS**PPolyproline II helixtrans-57.5129.9179.6176.90000111.3P629P629-V631 PolarHBondContact O-N 2.92Å
632A32.2Very low47Very low84 Ų84104.8 Ų104.869%0.69462%0.624SS**PPolyproline II helixtrans-64.4129.2172.300000110.3H630 S634H630-A632 PolarHBondContact O-N 3.34Å; A632-S634 PolarHBondContact O-N 3.44Å
633P36.3Very low49.9Very low124 Ų12496.2 Ų96.281%0.80558%0.579SS**PPolyproline II helixtrans-62.3139.3179.725.5-33.7000110.7
634S37.5Very low52.4Low89 Ų8993.3 Ų93.362%0.62256%0.559SS**PPolyproline II helixtrans-61.9153.3174.446.10000111A632 T636A632-S634 PolarHBondContact O-N 3.44Å; S634-T636 PolarHBondContact O-N 3.36Å; S634-T636 PolarHBondContact O-OG1 2.9Å
635P48Very low54.6Low85 Ų8594.1 Ų94.155%0.55255%0.546SS*.  trans-76.375.2174.832.3-35.1000109.8
636T58.3Low57.5Low108 Ų10890.6 Ų90.666%0.66352%0.524SS*.PPolyproline II helixtrans-59142175-38.70000110.1S634S634-T636 PolarHBondContact O-N 3.36Å; S634-T636 PolarHBondContact O-OG1 2.9Å
637L61.4Low60.5Low46 Ų4685.5 Ų85.524%0.24149%0.493CS..PPolyproline II helixtrans-69152.5168.7-69.8169.8000109.9E756L637-E756 HydrophobicContact CD1-CB 3.56Å; L637-E756 WeakPolarHBondContact CD1-OE2 3.38Å
638P76.7Confident63.3Low14 Ų1484.1 Ų84.19%0.09147%0.47CS..PPolyproline II helixtrans-62.6155.1172.626.7-34.1000111.4V643 L686 F687 N757P638-V643 HydrophobicContact CB-CG2 3.95Å; P638-V643 HydrophobicContact CG-CG2 3.68Å; P638-L686 HydrophobicContact CB-CB 3.88Å; P638-L686 WeakPolarHBondContact CB-O 3.45Å; P638-L686 HydrophobicContact CG-CB 4.15Å; P638-F687 HydrophobicContact CG-CD1 3.83Å; P638-F687 HydrophobicContact CG-CD2 4.4Å; P638-F687 HydrophobicContact CG-CE1 3.66Å; P638-F687 HydrophobicContact CG-CE2 4.25Å; P638-F687 HydrophobicContact CG-CG 4.22Å; P638-F687 HydrophobicContact CG-CZ 3.88Å; P638-N757 PolarHBondContact O-ND2 3.12Å; P638-N757 VanDerWaalsContact O-ND2 3.1Å
639S80.2Confident66.3Low51 Ų5179.9 Ų79.936%0.35745%0.45SS..PPolyproline II helixtrans-61.714217790.70000110.2E641 D642 V643S639-E641 PolarHBondContact O-N 2.93Å; S639-E641 PolarHBondContact OG-N 3.4Å; S639-D642 WeakPolarHBondContact CB-OD2 3.19Å; S639-D642 PolarHBondContact O-N 2.91Å; S639-D642 PolarHBondContact OG-N 3.37Å; S639-D642 PolarHBondContact OG-OD2 3.37Å; S639-V643 WeakPolarHBondContact O-CG2 3.17Å; S639-V643 PolarHBondContact O-N 2.95Å
640T80.3Confident68.9Low31 Ų3174 Ų7419%0.1941%0.412CS..Hα-helixtrans-58.5-31.3177.4-49.30000111.1I644 T754 N757T640-I644 HydrophobicContact CG2-CD1 4.09Å; T640-I644 WeakPolarHBondContact O-CD1 3.47Å; T640-I644 VanDerWaalsContact O-CG1 3.23Å; T640-I644 WeakPolarHBondContact O-CG1 3.24Å; T640-I644 PolarHBondContact O-N 3.19Å; T640-T754 VanDerWaalsContact CG2-OG1 3.27Å; T640-T754 WeakPolarHBondContact CG2-OG1 3.44Å; T640-N757 PolarHBondContact OG1-ND2 2.89Å
641E80.3Confident71.8Confident111 Ų11167.6 Ų67.652%0.51939%0.385SS..Hα-helixtrans-69.4-43.2178.5-161.4-176.5166.200112.6S639 V643 I644 R645S639-E641 PolarHBondContact O-N 2.93Å; S639-E641 PolarHBondContact OG-N 3.4Å; E641-V643 VanDerWaalsContact C-N 3.31Å; E641-V643 PolarHBondContact O-N 3.03Å; E641-I644 PolarHBondContact O-N 3.28Å; E641-R645 WeakPolarHBondContact O-CB 3.46Å; E641-R645 VanDerWaalsContact O-CG 3.27Å; E641-R645 WeakPolarHBondContact O-CG 3.5Å; E641-R645 PolarHBondContact O-N 3.23Å; E641-R645 IonicContact OE1-CZ 3.78Å; E641-R645 IonicContact OE1-NE 3.17Å; E641-R645 PolarHBondContact OE1-NE 2.95Å; E641-R645 VanDerWaalsContact OE1-NE 3.08Å; E641-R645 IonicContact OE1-NH2 2.66Å; E641-R645 PolarHBondContact OE1-NH2 3.13Å
642D83.1Confident74.6Confident67 Ų6766.9 Ų66.936%0.35837%0.371SS..Hα-helixtrans-64-38.5176.6-66.6-55.9000111.8S639 R645 K646 L686S639-D642 WeakPolarHBondContact CB-OD2 3.19Å; S639-D642 PolarHBondContact O-N 2.91Å; S639-D642 PolarHBondContact OG-N 3.37Å; S639-D642 PolarHBondContact OG-OD2 3.37Å; D642-R645 PolarHBondContact O-N 2.75Å; D642-K646 WeakPolarHBondContact O-CG 3.41Å; D642-K646 PolarHBondContact O-N 3.11Å; D642-L686 HydrophobicContact CB-CD1 4.01Å
643V87Confident77.4Confident0 Ų063.4 Ų63.40%034%0.341CS..Hα-helixtrans-67.9-36.6176.7-179.60000111.1P638 S639 E641 T647 M683 L686 F687 L749 V750 T753P638-V643 HydrophobicContact CB-CG2 3.95Å; P638-V643 HydrophobicContact CG-CG2 3.68Å; S639-V643 WeakPolarHBondContact O-CG2 3.17Å; S639-V643 PolarHBondContact O-N 2.95Å; E641-V643 VanDerWaalsContact C-N 3.31Å; E641-V643 PolarHBondContact O-N 3.03Å; V643-T647 VanDerWaalsContact O-CB 3.29Å; V643-T647 WeakPolarHBondContact O-CB 3.41Å; V643-T647 PolarHBondContact O-N 3.33Å; V643-T647 PolarHBondContact O-OG1 3.18Å; V643-M683 HydrophobicContact CG1-CE 3.73Å; V643-L686 HydrophobicContact CG2-CD1 4.2Å; V643-F687 HydrophobicContact CG1-CZ 4.31Å; V643-F687 HydrophobicContact CG2-CE2 4.36Å; V643-F687 HydrophobicContact CG2-CZ 3.97Å; V643-L749 HydrophobicContact CG1-CB 4.48Å; V643-V750 HydrophobicContact CG1-CG2 4.05Å; V643-T753 HydrophobicContact CG1-CG2 4.43Å; V643-T753 HydrophobicContact CG2-CG2 4.27Å
644I86.1Confident80.1Confident64 Ų6458 Ų5833%0.32831%0.305SS..Hα-helixtrans-64.5-54170.5-72.4164.9000110.4T640 E641 K646 T647 E648 V750T640-I644 HydrophobicContact CG2-CD1 4.09Å; T640-I644 WeakPolarHBondContact O-CD1 3.47Å; T640-I644 VanDerWaalsContact O-CG1 3.23Å; T640-I644 WeakPolarHBondContact O-CG1 3.24Å; T640-I644 PolarHBondContact O-N 3.19Å; E641-I644 PolarHBondContact O-N 3.28Å; I644-K646 VanDerWaalsContact C-N 3.33Å; I644-K646 PolarHBondContact O-N 2.95Å; I644-T647 CarbonylContact O-C 3.57Å; I644-T647 WeakPolarHBondContact O-CA 3.34Å; I644-T647 WeakPolarHBondContact O-CB 3.41Å; I644-T647 PolarHBondContact O-N 3.17Å; I644-E648 HydrophobicContact CG2-CG 4.37Å; I644-E648 PolarHBondContact O-N 3.34Å; I644-V750 HydrophobicContact CD1-CG1 4.35Å; I644-V750 HydrophobicContact CG1-CG1 3.7Å; I644-V750 HydrophobicContact CG1-CG2 4.16Å
645R86.6Confident82.7Confident142 Ų14259.6 Ų59.654%0.53630%0.303SS..Hα-helixtrans-55.8-43.6-178.7-71.3168176.9-160.7-0.8112.2E641 D642 E648 Q649E641-R645 WeakPolarHBondContact O-CB 3.46Å; E641-R645 VanDerWaalsContact O-CG 3.27Å; E641-R645 WeakPolarHBondContact O-CG 3.5Å; E641-R645 PolarHBondContact O-N 3.23Å; E641-R645 IonicContact OE1-CZ 3.78Å; E641-R645 IonicContact OE1-NE 3.17Å; E641-R645 PolarHBondContact OE1-NE 2.95Å; E641-R645 VanDerWaalsContact OE1-NE 3.08Å; E641-R645 IonicContact OE1-NH2 2.66Å; E641-R645 PolarHBondContact OE1-NH2 3.13Å; D642-R645 PolarHBondContact O-N 2.75Å; R645-E648 PolarHBondContact O-N 2.88Å; R645-Q649 PolarHBondContact O-N 3.16Å
646K88.8Confident84.7Confident64 Ų6459 Ų5928%0.27829%0.293SS..Hα-helixtrans-70-33.7174.6-68-59.1-175.8-175.60113D642 I644 Q649 I650 E682 M683 L686D642-K646 WeakPolarHBondContact O-CG 3.41Å; D642-K646 PolarHBondContact O-N 3.11Å; I644-K646 VanDerWaalsContact C-N 3.33Å; I644-K646 PolarHBondContact O-N 2.95Å; K646-Q649 PolarHBondContact O-N 2.83Å; K646-I650 WeakPolarHBondContact O-CG1 3.24Å; K646-I650 PolarHBondContact O-N 2.75Å; K646-E682 HydrophobicContact CD-CB 4.32Å; K646-E682 IonicContact NZ-OE2 2.72Å; K646-E682 PolarHBondContact NZ-OE2 3.15Å; K646-M683 HydrophobicContact CB-CB 4.02Å; K646-M683 HydrophobicContact CB-CG 4.07Å; K646-L686 HydrophobicContact CB-CD1 4.41Å; K646-L686 HydrophobicContact CG-CD1 3.87Å
647T91.1Very high86.3Confident15 Ų1553.9 Ų53.99%0.09226%0.261CS..Hα-helixtrans-64.3-40.7172.1-630000111.9V643 I644 I650 T651 M683 A746 V750V643-T647 VanDerWaalsContact O-CB 3.29Å; V643-T647 WeakPolarHBondContact O-CB 3.41Å; V643-T647 PolarHBondContact O-N 3.33Å; V643-T647 PolarHBondContact O-OG1 3.18Å; I644-T647 CarbonylContact O-C 3.57Å; I644-T647 WeakPolarHBondContact O-CA 3.34Å; I644-T647 WeakPolarHBondContact O-CB 3.41Å; I644-T647 PolarHBondContact O-N 3.17Å; T647-I650 PolarHBondContact O-N 3.31Å; T647-T651 WeakPolarHBondContact O-CG2 3.39Å; T647-T651 PolarHBondContact O-N 3.33Å; T647-T651 PolarHBondContact O-OG1 2.71Å; T647-M683 WeakPolarHBondContact OG1-CE 3.32Å; T647-A746 HydrophobicContact CG2-CB 3.82Å; T647-V750 HydrophobicContact CG2-CG2 4Å; T647-V750 VanDerWaalsContact OG1-CG2 3.23Å; T647-V750 WeakPolarHBondContact OG1-CG2 3.42Å
648E88.6Confident87.7Confident65 Ų6553.5 Ų53.530%0.30426%0.259SS..Hα-helixtrans-66.3-39.2175.8-69-175.4133.800111.8S324 I644 R645 I650 T651 K652S324-E648 VanDerWaalsContact CB-OE1 3.26Å; S324-E648 WeakPolarHBondContact CB-OE1 3.35Å; I644-E648 HydrophobicContact CG2-CG 4.37Å; I644-E648 PolarHBondContact O-N 3.34Å; R645-E648 PolarHBondContact O-N 2.88Å; E648-I650 VanDerWaalsContact C-N 3.33Å; E648-I650 PolarHBondContact O-N 3Å; E648-T651 WeakPolarHBondContact CA-OG1 3.38Å; E648-T651 PolarHBondContact O-N 3Å; E648-T651 PolarHBondContact O-OG1 2.67Å; E648-T651 VanDerWaalsContact O-OG1 3.13Å; E648-K652 WeakPolarHBondContact O-CB 3.35Å; E648-K652 PolarHBondContact O-N 3.05Å
649Q90.6Very high88.3Confident79 Ų7960 Ų6037%0.36928%0.282SS..Hα-helixtrans-62.8-37.7172.3-17755.679.100112.7R645 K646 N653 A679R645-Q649 PolarHBondContact O-N 3.16Å; K646-Q649 PolarHBondContact O-N 2.83Å; Q649-N653 PolarHBondContact NE2-ND2 3.48Å; Q649-N653 PolarHBondContact NE2-OD1 3.15Å; Q649-N653 VanDerWaalsContact NE2-OD1 3.1Å; Q649-N653 VanDerWaalsContact O-CG 3.31Å; Q649-N653 PolarHBondContact O-N 2.71Å; Q649-N653 PolarHBondContact O-ND2 3.33Å; Q649-A679 HydrophobicContact CG-CB 4.14Å
650I91Very high88.7Confident0 Ų058 Ų580%027%0.269CS..Hα-helixtrans-67-45.7174.2-70.9164.2000110.8K646 T647 E648 N653 I654 A679 V680 M683 I742K646-I650 WeakPolarHBondContact O-CG1 3.24Å; K646-I650 PolarHBondContact O-N 2.75Å; T647-I650 PolarHBondContact O-N 3.31Å; E648-I650 VanDerWaalsContact C-N 3.33Å; E648-I650 PolarHBondContact O-N 3Å; I650-N653 PolarHBondContact O-N 2.97Å; I650-I654 HydrophobicContact CG2-CD1 3.74Å; I650-I654 WeakPolarHBondContact O-CG1 3.1Å; I650-I654 PolarHBondContact O-N 2.75Å; I650-A679 HydrophobicContact CG1-CB 3.67Å; I650-V680 HydrophobicContact CD1-CG2 3.85Å; I650-V680 HydrophobicContact CG1-CG2 4.16Å; I650-M683 HydrophobicContact CD1-CB 3.91Å; I650-M683 HydrophobicContact CD1-CG 4.28Å; I650-M683 HydrophobicContact CD1-SD 3.48Å; I650-M683 WeakPolarHBondContact CD1-SD 3.29Å; I650-I742 HydrophobicContact CG2-CG2 3.63Å
651T91.6Very high88.9Confident45 Ų4556.9 Ų56.928%0.27626%0.262SS..Hα-helixtrans-69-33.6-179.6580000112.8T647 E648 I654 Q655T647-T651 WeakPolarHBondContact O-CG2 3.39Å; T647-T651 PolarHBondContact O-N 3.33Å; T647-T651 PolarHBondContact O-OG1 2.71Å; E648-T651 WeakPolarHBondContact CA-OG1 3.38Å; E648-T651 PolarHBondContact O-N 3Å; E648-T651 PolarHBondContact O-OG1 2.67Å; E648-T651 VanDerWaalsContact O-OG1 3.13Å; T651-I654 PolarHBondContact O-N 3.03Å; T651-Q655 WeakPolarHBondContact O-CG 3.4Å; T651-Q655 PolarHBondContact O-N 3.32Å
652K91.8Very high89.2Confident121 Ų12159.1 Ų59.153%0.52627%0.273SS..Hα-helixtrans-59.4-49.2170.7-174.8172-177.91720111.7E648 I654 Q655 E656E648-K652 WeakPolarHBondContact O-CB 3.35Å; E648-K652 PolarHBondContact O-N 3.05Å; K652-I654 VanDerWaalsContact C-N 3.29Å; K652-I654 PolarHBondContact O-N 2.84Å; K652-Q655 PolarHBondContact O-N 3.46Å; K652-Q655 VanDerWaalsContact O-N 3.17Å; K652-E656 PolarHBondContact O-N 3.17Å
653N91Very high89.3Confident11 Ų1160.5 Ų60.56%0.05928%0.277CS..Hα-helixtrans-64.7-33177.4-67.4-18000112.3Q649 I650 L657 R675 I676Q649-N653 PolarHBondContact NE2-ND2 3.48Å; Q649-N653 PolarHBondContact NE2-OD1 3.15Å; Q649-N653 VanDerWaalsContact NE2-OD1 3.1Å; Q649-N653 VanDerWaalsContact O-CG 3.31Å; Q649-N653 PolarHBondContact O-N 2.71Å; Q649-N653 PolarHBondContact O-ND2 3.33Å; I650-N653 PolarHBondContact O-N 2.97Å; N653-L657 PolarHBondContact O-N 3.36Å; N653-R675 PolarHBondContact ND2-O 2.77Å; N653-R675 VanDerWaalsContact ND2-O 3.1Å; N653-I676 HydrophobicContact CB-CG1 3.59Å
654I92.5Very high89Confident9 Ų965.8 Ų65.85%0.04631%0.306CS..Hα-helixtrans-67.3-41.4172.1-75.4164.9000112I650 T651 K652 E656 L657 L658 I676 A739 I742 A743I650-I654 HydrophobicContact CG2-CD1 3.74Å; I650-I654 WeakPolarHBondContact O-CG1 3.1Å; I650-I654 PolarHBondContact O-N 2.75Å; T651-I654 PolarHBondContact O-N 3.03Å; K652-I654 VanDerWaalsContact C-N 3.29Å; K652-I654 PolarHBondContact O-N 2.84Å; I654-E656 VanDerWaalsContact C-N 3.3Å; I654-E656 PolarHBondContact O-N 3.38Å; I654-L657 WeakPolarHBondContact O-CB 3.37Å; I654-L657 PolarHBondContact O-N 3.01Å; I654-L658 HydrophobicContact CG2-CD1 3.84Å; I654-L658 HydrophobicContact CG2-CG 4.19Å; I654-L658 WeakPolarHBondContact O-CG 3.43Å; I654-L658 PolarHBondContact O-N 2.84Å; I654-I676 HydrophobicContact CG1-CD1 3.91Å; I654-I676 HydrophobicContact CG1-CG1 4.29Å; I654-A739 HydrophobicContact CG1-CB 4.34Å; I654-A739 HydrophobicContact CG2-CB 4.02Å; I654-I742 HydrophobicContact CD1-CB 4.16Å; I654-I742 HydrophobicContact CD1-CG2 3.88Å; I654-A743 HydrophobicContact CD1-CB 4.15Å
655Q92.1Very high88.8Confident123 Ų12367.7 Ų67.758%0.57531%0.311SS*.Hα-helixtrans-62.7-36.8177.6-74.317311.400112.2T651 K652 R659T651-Q655 WeakPolarHBondContact O-CG 3.4Å; T651-Q655 PolarHBondContact O-N 3.32Å; K652-Q655 PolarHBondContact O-N 3.46Å; K652-Q655 VanDerWaalsContact O-N 3.17Å; Q655-R659 WeakPolarHBondContact O-CB 3.42Å; Q655-R659 PolarHBondContact O-N 3Å
656E90.5Very high88.5Confident73 Ų7363 Ų6334%0.34130%0.295SS..Hα-helixtrans-65.5-42.9173-69.7-178.4-147.500112.1K652 I654 R659 A660 R675K652-E656 PolarHBondContact O-N 3.17Å; I654-E656 VanDerWaalsContact C-N 3.3Å; I654-E656 PolarHBondContact O-N 3.38Å; E656-R659 PolarHBondContact O-N 2.99Å; E656-A660 PolarHBondContact O-N 3.18Å; E656-R675 IonicContact OE1-NH1 2.82Å; E656-R675 IonicContact OE2-CZ 3.45Å; E656-R675 IonicContact OE2-NH1 2.71Å; E656-R675 PolarHBondContact OE2-NH1 2.87Å; E656-R675 IonicContact OE2-NH2 2.75Å; E656-R675 PolarHBondContact OE2-NH2 3.05Å
657L90.7Very high88.1Confident1 Ų167.2 Ų67.21%0.00532%0.321CS..Hα-helixtrans-61.6-45.5174.5177.365.5000112.2N653 I654 R659 A660 A661 Y669 C672 I676 L710 V735 A739N653-L657 PolarHBondContact O-N 3.36Å; I654-L657 WeakPolarHBondContact O-CB 3.37Å; I654-L657 PolarHBondContact O-N 3.01Å; L657-R659 VanDerWaalsContact C-N 3.3Å; L657-R659 PolarHBondContact O-N 3.32Å; L657-A660 PolarHBondContact O-N 3.17Å; L657-A661 PolarHBondContact O-N 3.37Å; L657-Y669 HydrophobicContact CD1-CD1 4.21Å; L657-Y669 HydrophobicContact CD1-CG 4.31Å; L657-C672 HydrophobicContact CB-CB 3.96Å; L657-C672 HydrophobicContact CD1-CB 3.91Å; L657-C672 HydrophobicContact CG-CB 4.49Å; L657-I676 HydrophobicContact CB-CD1 4.15Å; L657-I676 HydrophobicContact CD2-CD1 3.69Å; L657-L710 HydrophobicContact CD2-CD1 3.77Å; L657-L710 HydrophobicContact CD2-CD2 4.02Å; L657-L710 HydrophobicContact CD2-CG 4.49Å; L657-V735 HydrophobicContact CD1-CG1 3.9Å; L657-V735 HydrophobicContact CD2-CG1 3.96Å; L657-V735 HydrophobicContact CG-CG1 4.14Å; L657-A739 HydrophobicContact CD2-CB 4.15Å
658L90.8Very high87.9Confident37 Ų3768.8 Ų68.819%0.19433%0.333CS..Hα-helixtrans-65-34.6178.7-68.9176.3000111.8I654 A661 Q662 I736 A739I654-L658 HydrophobicContact CG2-CD1 3.84Å; I654-L658 HydrophobicContact CG2-CG 4.19Å; I654-L658 WeakPolarHBondContact O-CG 3.43Å; I654-L658 PolarHBondContact O-N 2.84Å; L658-A661 PolarHBondContact O-N 2.9Å; L658-Q662 WeakPolarHBondContact O-CG 3.43Å; L658-Q662 PolarHBondContact O-N 2.95Å; L658-I736 HydrophobicContact CD2-CB 4.31Å; L658-I736 HydrophobicContact CD2-CG1 3.9Å; L658-I736 HydrophobicContact CD2-CG2 4.06Å; L658-A739 HydrophobicContact CD2-CB 4.44Å
659R90.5Very high87.9Confident152 Ų15265.7 Ų65.757%0.57432%0.318SS*.Hα-helixtrans-67-45.3171.9-169.7-175.6-54.3-1663.7111.7Q655 E656 L657 A661 Q662 E663Q655-R659 WeakPolarHBondContact O-CB 3.42Å; Q655-R659 PolarHBondContact O-N 3Å; E656-R659 PolarHBondContact O-N 2.99Å; L657-R659 VanDerWaalsContact C-N 3.3Å; L657-R659 PolarHBondContact O-N 3.32Å; R659-A661 PolarHBondContact O-N 2.91Å; R659-Q662 PolarHBondContact O-N 2.98Å; R659-E663 WeakPolarHBondContact CD-OE1 3.42Å; R659-E663 HydrophobicContact CG-CG 4.45Å; R659-E663 VanDerWaalsContact CG-OE1 3.25Å; R659-E663 WeakPolarHBondContact CG-OE1 3.4Å; R659-E663 WeakPolarHBondContact O-CB 3.33Å; R659-E663 WeakPolarHBondContact O-CG 3.41Å; R659-E663 PolarHBondContact O-N 3.36Å
660A87.3Confident87.7Confident9 Ų963.7 Ų63.77%0.07431%0.31CS..Hα-helixtrans-59.1-36174.900000112.1E656 L657 E663 N664 K665 Y669E656-A660 PolarHBondContact O-N 3.18Å; L657-A660 PolarHBondContact O-N 3.17Å; A660-E663 PolarHBondContact O-N 2.88Å; A660-N664 PolarHBondContact O-N 3.38Å; A660-N664 VanDerWaalsContact O-N 3.13Å; A660-K665 HydrophobicContact CB-CB 4.45Å; A660-K665 PolarHBondContact O-N 3.23Å; A660-Y669 HydrophobicContact CB-CD1 4.39Å; A660-Y669 HydrophobicContact CB-CE1 4.4Å
661A85.9Confident87.6Confident7 Ų766.9 Ų66.96%0.05833%0.33CS..Hα-helixtrans-67.8-43.9173.500000113L657 L658 R659 E663 N664 Y669 T732 I736L657-A661 PolarHBondContact O-N 3.37Å; L658-A661 PolarHBondContact O-N 2.9Å; R659-A661 PolarHBondContact O-N 2.91Å; A661-E663 VanDerWaalsContact C-N 3.27Å; A661-E663 PolarHBondContact O-N 3.3Å; A661-N664 PolarHBondContact O-N 3.1Å; A661-N664 VanDerWaalsContact O-N 3.16Å; A661-Y669 WeakPolarHBondContact CA-OH 3.39Å; A661-Y669 HydrophobicContact CB-CE1 4.23Å; A661-T732 HydrophobicContact CB-CG2 4Å; A661-I736 HydrophobicContact CB-CD1 4.21Å; A661-I736 HydrophobicContact CB-CG1 4.26Å
662Q84.8Confident87.5Confident158 Ų15865 Ų6574%0.73832%0.319SS*.Hα-helixtrans-62-34.3174.1-72.6169.4-10.400112.6L658 R659 N664L658-Q662 WeakPolarHBondContact O-CG 3.43Å; L658-Q662 PolarHBondContact O-N 2.95Å; R659-Q662 PolarHBondContact O-N 2.98Å; Q662-N664 VanDerWaalsContact C-N 3.33Å
663E85.6Confident87.5Confident95 Ų9559.3 Ų59.344%0.44430%0.295SS..THydrogen-bonded Turntrans-86.11.7178-65.6177-163.300113.5R659 A660 A661 K665R659-E663 WeakPolarHBondContact CD-OE1 3.42Å; R659-E663 HydrophobicContact CG-CG 4.45Å; R659-E663 VanDerWaalsContact CG-OE1 3.25Å; R659-E663 WeakPolarHBondContact CG-OE1 3.4Å; R659-E663 WeakPolarHBondContact O-CB 3.33Å; R659-E663 WeakPolarHBondContact O-CG 3.41Å; R659-E663 PolarHBondContact O-N 3.36Å; A660-E663 PolarHBondContact O-N 2.88Å; A661-E663 VanDerWaalsContact C-N 3.27Å; A661-E663 PolarHBondContact O-N 3.3Å; E663-K665 HydrophobicContact CB-CD 3.97Å; E663-K665 HydrophobicContact CB-CG 4.03Å; E663-K665 PolarHBondContact O-N 3.1Å; E663-K665 WeakPolarHBondContact OE2-CD 3.41Å; E663-K665 VanDerWaalsContact OE2-CE 3.22Å; E663-K665 WeakPolarHBondContact OE2-CE 3.33Å; E663-K665 IonicContact OE2-NZ 3.73Å; E663-K665 PolarHBondContact OE2-NZ 3.33Å
664N80.6Confident87.5Confident112 Ų11263.1 Ų63.160%0.59931%0.312SS*.THydrogen-bonded Turntrans53.631.7-174.8-59-86.5000114.5A660 A661 Q662 H666A660-N664 PolarHBondContact O-N 3.38Å; A660-N664 VanDerWaalsContact O-N 3.13Å; A661-N664 PolarHBondContact O-N 3.1Å; A661-N664 VanDerWaalsContact O-N 3.16Å; Q662-N664 VanDerWaalsContact C-N 3.33Å; N664-H666 PolarHBondContact O-CD2 3.3Å; N664-H666 VanDerWaalsContact O-CD2 3.32Å; N664-H666 PolarHBondContact O-N 2.91Å
665K83.1Confident87.5Confident103 Ų10367.2 Ų67.245%0.44833%0.327SS..  trans-90.671.1-178-71177.7179.4169.70111.6A660 E663 D667 S668A660-K665 HydrophobicContact CB-CB 4.45Å; A660-K665 PolarHBondContact O-N 3.23Å; E663-K665 HydrophobicContact CB-CD 3.97Å; E663-K665 HydrophobicContact CB-CG 4.03Å; E663-K665 PolarHBondContact O-N 3.1Å; E663-K665 WeakPolarHBondContact OE2-CD 3.41Å; E663-K665 VanDerWaalsContact OE2-CE 3.22Å; E663-K665 WeakPolarHBondContact OE2-CE 3.33Å; E663-K665 IonicContact OE2-NZ 3.73Å; E663-K665 PolarHBondContact OE2-NZ 3.33Å; K665-D667 VanDerWaalsContact C-N 3.26Å; K665-D667 PolarHBondContact O-N 3.34Å; K665-S668 WeakPolarHBondContact O-CB 3.29Å; K665-S668 PolarHBondContact O-N 2.98Å
666H80Confident87.5Confident43 Ų4361.3 Ų61.320%0.19930%0.299CS..G310 helixtrans-59-31.9-175.3-57.3-59.4000114N664 S668 Y669 V728 T732N664-H666 PolarHBondContact O-CD2 3.3Å; N664-H666 VanDerWaalsContact O-CD2 3.32Å; N664-H666 PolarHBondContact O-N 2.91Å; H666-S668 PolarHBondContact O-N 3.46Å; H666-S668 VanDerWaalsContact O-N 3.13Å; H666-Y669 AromaticContact CE1-CZ 3.93Å; H666-Y669 PolarHBondContact CE1-OH 3.02Å; H666-Y669 AromaticContact ND1-CE1 3.9Å; H666-Y669 AromaticContact ND1-CE2 3.56Å; H666-Y669 AromaticContact ND1-CZ 3.31Å; H666-Y669 VanDerWaalsContact ND1-CZ 3.31Å; H666-Y669 PolarHBondContact ND1-OH 2.91Å; H666-Y669 VanDerWaalsContact O-CB 3.29Å; H666-Y669 WeakPolarHBondContact O-CB 3.16Å; H666-Y669 PolarHBondContact O-N 3.39Å; H666-V728 WeakPolarHBondContact CE1-CG1 3.26Å; H666-V728 VanDerWaalsContact NE2-CG1 3.34Å; H666-V728 WeakPolarHBondContact NE2-CG1 3.35Å; H666-T732 PolarHBondContact CE1-OG1 3.19Å
667D80.4Confident87.6Confident154 Ų15459.2 Ų59.282%0.82429%0.289SS*.G310 helixtrans-58.9-26.6175-51.7-51.9000113.1K665 Y669 P671K665-D667 VanDerWaalsContact C-N 3.26Å; K665-D667 PolarHBondContact O-N 3.34Å; D667-Y669 VanDerWaalsContact C-N 3.35Å; D667-P671 WeakPolarHBondContact O-CD 3.18Å
668S86.1Confident87.8Confident48 Ų4863 Ų6334%0.33631%0.312SS..G310 helixtrans-81.8-11.2178.6-59.20000113.4K665 H666 C672K665-S668 WeakPolarHBondContact O-CB 3.29Å; K665-S668 PolarHBondContact O-N 2.98Å; H666-S668 PolarHBondContact O-N 3.46Å; H666-S668 VanDerWaalsContact O-N 3.13Å; S668-C672 WeakPolarHBondContact O-CB 3.17Å; S668-C672 PolarHBondContact O-N 3.41Å; S668-C672 PolarHBondContact O-SG 2.88Å
669Y88.6Confident87.8Confident0 Ų061.3 Ų61.30%030%0.304CS..Hα-helixtrans-65.6-42.8-175.6-75.719.7000111.7L657 A660 A661 H666 D667 C672 S673 T717 T732 V735L657-Y669 HydrophobicContact CD1-CD1 4.21Å; L657-Y669 HydrophobicContact CD1-CG 4.31Å; A660-Y669 HydrophobicContact CB-CD1 4.39Å; A660-Y669 HydrophobicContact CB-CE1 4.4Å; A661-Y669 WeakPolarHBondContact CA-OH 3.39Å; A661-Y669 HydrophobicContact CB-CE1 4.23Å; H666-Y669 AromaticContact CE1-CZ 3.93Å; H666-Y669 PolarHBondContact CE1-OH 3.02Å; H666-Y669 AromaticContact ND1-CE1 3.9Å; H666-Y669 AromaticContact ND1-CE2 3.56Å; H666-Y669 AromaticContact ND1-CZ 3.31Å; H666-Y669 VanDerWaalsContact ND1-CZ 3.31Å; H666-Y669 PolarHBondContact ND1-OH 2.91Å; H666-Y669 VanDerWaalsContact O-CB 3.29Å; H666-Y669 WeakPolarHBondContact O-CB 3.16Å; H666-Y669 PolarHBondContact O-N 3.39Å; D667-Y669 VanDerWaalsContact C-N 3.35Å; Y669-C672 PolarHBondContact O-N 3.46Å; Y669-S673 WeakPolarHBondContact O-CB 3.42Å; Y669-S673 PolarHBondContact O-N 3.16Å; Y669-T717 HydrophobicContact CD2-CG2 3.82Å; Y669-T717 HydrophobicContact CE2-CG2 4.02Å; Y669-T732 VanDerWaalsContact OH-CG2 3.25Å; Y669-T732 WeakPolarHBondContact OH-CG2 3.25Å; Y669-T732 PolarHBondContact OH-OG1 3.28Å; Y669-V735 HydrophobicContact CD2-CG1 4.21Å; Y669-V735 HydrophobicContact CD2-CG2 4.12Å; Y669-V735 HydrophobicContact CE2-CB 4.42Å; Y669-V735 HydrophobicContact CE2-CG1 4.22Å; Y669-V735 HydrophobicContact CE2-CG2 4.25Å
670I87.4Confident87.9Confident37 Ų3754.1 Ų54.119%0.1928%0.277CS..Hα-helixtrans-64.3-55.7-178.9-66.5173.1000111.2C672 S673 E674 C714 K715 L718I670-C672 PolarHBondContact O-N 3.06Å; I670-S673 PolarHBondContact O-N 2.85Å; I670-S673 PolarHBondContact O-OG 3.03Å; I670-E674 HydrophobicContact CG2-CG 4.49Å; I670-E674 WeakPolarHBondContact O-CG 3.09Å; I670-E674 PolarHBondContact O-N 2.94Å; I670-C714 HydrophobicContact CG1-CB 4.39Å; I670-C714 WeakPolarHBondContact CG1-O 3.45Å; I670-K715 HydrophobicContact CD1-CG 4.46Å; I670-L718 HydrophobicContact CD1-CD1 3.87Å; I670-L718 HydrophobicContact CD1-CD2 3.83Å; I670-L718 HydrophobicContact CD1-CG 3.79Å
671P87.5Confident88.1Confident66 Ų6657.1 Ų57.143%0.42929%0.294SS..Hα-helixtrans-60.5-26177-25.335.1000114.7D667 R675D667-P671 WeakPolarHBondContact O-CD 3.18Å; P671-R675 WeakPolarHBondContact O-CG 3.4Å; P671-R675 PolarHBondContact O-N 3.28Å; P671-R675 PolarHBondContact O-NE 3.05Å; P671-R675 VanDerWaalsContact O-NE 3.11Å
672C89.6Confident88.3Confident7 Ų760.7 Ų60.75%0.04731%0.31CS..Hα-helixtrans-75.3-44.4171.7-65.40000111.7L657 S668 Y669 I670 E674 R675 I676L657-C672 HydrophobicContact CB-CB 3.96Å; L657-C672 HydrophobicContact CD1-CB 3.91Å; L657-C672 HydrophobicContact CG-CB 4.49Å; S668-C672 WeakPolarHBondContact O-CB 3.17Å; S668-C672 PolarHBondContact O-N 3.41Å; S668-C672 PolarHBondContact O-SG 2.88Å; Y669-C672 PolarHBondContact O-N 3.46Å; I670-C672 PolarHBondContact O-N 3.06Å; C672-E674 VanDerWaalsContact C-N 3.28Å; C672-E674 PolarHBondContact O-N 3.45Å; C672-R675 PolarHBondContact O-N 3.02Å; C672-R675 PolarHBondContact SG-NH2 2.92Å; C672-I676 VanDerWaalsContact O-CG1 3.29Å; C672-I676 WeakPolarHBondContact O-CG1 3.29Å; C672-I676 PolarHBondContact O-N 3.49Å
673S91.9Very high88.5Confident1 Ų153.1 Ų53.11%0.00727%0.274CS..Hα-helixtrans-61-35.3177.977.30000112.9Y669 I670 H677Y669-S673 WeakPolarHBondContact O-CB 3.42Å; Y669-S673 PolarHBondContact O-N 3.16Å; I670-S673 PolarHBondContact O-N 2.85Å; I670-S673 PolarHBondContact O-OG 3.03Å; S673-H677 WeakPolarHBondContact O-CB 3.32Å; S673-H677 PolarHBondContact O-N 3.43Å
674E91.5Very high88.7Confident91 Ų9150 Ų5043%0.42527%0.265SS..Hα-helixtrans-69.9-44.7177-69.8176.216000111.7I670 C672 I676 H677 V678I670-E674 HydrophobicContact CG2-CG 4.49Å; I670-E674 WeakPolarHBondContact O-CG 3.09Å; I670-E674 PolarHBondContact O-N 2.94Å; C672-E674 VanDerWaalsContact C-N 3.28Å; C672-E674 PolarHBondContact O-N 3.45Å; E674-I676 VanDerWaalsContact C-N 3.34Å; E674-I676 PolarHBondContact O-N 3.21Å; E674-H677 WeakPolarHBondContact O-CB 3.28Å; E674-H677 PolarHBondContact O-N 2.76Å; E674-H677 VanDerWaalsContact O-N 3.15Å; E674-V678 WeakPolarHBondContact O-CG2 3.45Å; E674-V678 PolarHBondContact O-N 2.67Å
675R92.1Very high89Confident94 Ų9448.5 Ų48.536%0.35527%0.268SS..Hα-helixtrans-65.2-34.7174.7-69.6-177.5-62.6142.7-5.3112.9N653 E656 P671 C672 A679N653-R675 PolarHBondContact ND2-O 2.77Å; N653-R675 VanDerWaalsContact ND2-O 3.1Å; E656-R675 IonicContact OE1-NH1 2.82Å; E656-R675 IonicContact OE2-CZ 3.45Å; E656-R675 IonicContact OE2-NH1 2.71Å; E656-R675 PolarHBondContact OE2-NH1 2.87Å; E656-R675 IonicContact OE2-NH2 2.75Å; E656-R675 PolarHBondContact OE2-NH2 3.05Å; P671-R675 WeakPolarHBondContact O-CG 3.4Å; P671-R675 PolarHBondContact O-N 3.28Å; P671-R675 PolarHBondContact O-NE 3.05Å; P671-R675 VanDerWaalsContact O-NE 3.11Å; C672-R675 PolarHBondContact O-N 3.02Å; C672-R675 PolarHBondContact SG-NH2 2.92Å; R675-A679 WeakPolarHBondContact O-CB 3.44Å; R675-A679 PolarHBondContact O-N 2.93Å; R675-A679 VanDerWaalsContact O-N 3.16Å
676I92.8Very high89.1Confident0 Ų046.2 Ų46.20%026%0.26CS..Hα-helixtrans-65-44.6170.8-67165.4000110.2N653 I654 L657 C672 E674 A679 V680 L710 I742N653-I676 HydrophobicContact CB-CG1 3.59Å; I654-I676 HydrophobicContact CG1-CD1 3.91Å; I654-I676 HydrophobicContact CG1-CG1 4.29Å; L657-I676 HydrophobicContact CB-CD1 4.15Å; L657-I676 HydrophobicContact CD2-CD1 3.69Å; C672-I676 VanDerWaalsContact O-CG1 3.29Å; C672-I676 WeakPolarHBondContact O-CG1 3.29Å; C672-I676 PolarHBondContact O-N 3.49Å; E674-I676 VanDerWaalsContact C-N 3.34Å; E674-I676 PolarHBondContact O-N 3.21Å; I676-A679 PolarHBondContact O-N 2.76Å; I676-V680 HydrophobicContact CG2-CG2 4.39Å; I676-V680 WeakPolarHBondContact O-CB 3.41Å; I676-V680 WeakPolarHBondContact O-CG2 3.49Å; I676-V680 PolarHBondContact O-N 2.64Å; I676-L710 HydrophobicContact CB-CD2 4.17Å; I676-L710 HydrophobicContact CD1-CD2 3.66Å; I676-L710 HydrophobicContact CG2-CD2 3.88Å; I676-I742 HydrophobicContact CG2-CD1 3.85Å; I676-I742 HydrophobicContact CG2-CG2 4.38Å
677H93.3Very high89.4Confident29 Ų2944.8 Ų44.813%0.13425%0.253CS..Hα-helixtrans-64.6-41.1-179.7-172.279.1000113.6S673 E674 V680 T681 Y708 Q711S673-H677 WeakPolarHBondContact O-CB 3.32Å; S673-H677 PolarHBondContact O-N 3.43Å; E674-H677 WeakPolarHBondContact O-CB 3.28Å; E674-H677 PolarHBondContact O-N 2.76Å; E674-H677 VanDerWaalsContact O-N 3.15Å; H677-V680 PolarHBondContact O-N 3.49Å; H677-T681 WeakPolarHBondContact O-CB 3.31Å; H677-T681 PolarHBondContact O-N 3.2Å; H677-T681 PolarHBondContact O-OG1 2.79Å; H677-Y708 AromaticContact CE1-CD1 3.63Å; H677-Y708 AromaticContact CE1-CE1 3.27Å; H677-Y708 WeakPolarHBondContact CE1-CE1 3.39Å; H677-Y708 AromaticContact CE1-CZ 3.49Å; H677-Y708 VanDerWaalsContact CE1-CZ 3.49Å; H677-Y708 AromaticContact NE2-CE1 3.79Å; H677-Y708 AromaticContact NE2-CZ 3.99Å; H677-Q711 HydrophobicContact CB-CG 4.23Å; H677-Q711 VanDerWaalsContact CB-NE2 3.32Å; H677-Q711 PolarHBondContact ND1-OE1 2.99Å
678V93.2Very high89.4Confident79 Ų7939.4 Ų39.448%0.47923%0.227SC..Hα-helixtrans-61.5-51.5173.7172.40000110.3E674 V680 T681 E682E674-V678 WeakPolarHBondContact O-CG2 3.45Å; E674-V678 PolarHBondContact O-N 2.67Å; V678-V680 VanDerWaalsContact C-N 3.29Å; V678-V680 PolarHBondContact O-N 3.16Å; V678-T681 PolarHBondContact O-N 3.24Å; V678-E682 HydrophobicContact CG1-CG 4.49Å; V678-E682 WeakPolarHBondContact O-CG 3.49Å; V678-E682 PolarHBondContact O-N 3.36Å
679A90.9Very high88.7Confident3 Ų347.6 Ų47.63%0.02526%0.256CS..Hα-helixtrans-61.3-35.7179.300000112.9Q649 I650 R675 I676 M683Q649-A679 HydrophobicContact CG-CB 4.14Å; I650-A679 HydrophobicContact CG1-CB 3.67Å; R675-A679 WeakPolarHBondContact O-CB 3.44Å; R675-A679 PolarHBondContact O-N 2.93Å; R675-A679 VanDerWaalsContact O-N 3.16Å; I676-A679 PolarHBondContact O-N 2.76Å; A679-M683 WeakPolarHBondContact O-CB 3.33Å; A679-M683 PolarHBondContact O-N 2.78Å
680V93.4Very high87.8Confident1 Ų156.5 Ų56.51%0.00630%0.295CS..Hα-helixtrans-66.9-38.9172.6162.40000112.2I650 I676 H677 V678 M683 A684 L703 A707 I742I650-V680 HydrophobicContact CD1-CG2 3.85Å; I650-V680 HydrophobicContact CG1-CG2 4.16Å; I676-V680 HydrophobicContact CG2-CG2 4.39Å; I676-V680 WeakPolarHBondContact O-CB 3.41Å; I676-V680 WeakPolarHBondContact O-CG2 3.49Å; I676-V680 PolarHBondContact O-N 2.64Å; H677-V680 PolarHBondContact O-N 3.49Å; V678-V680 VanDerWaalsContact C-N 3.29Å; V678-V680 PolarHBondContact O-N 3.16Å; V680-M683 PolarHBondContact O-N 3.19Å; V680-A684 WeakPolarHBondContact O-CB 3.45Å; V680-A684 PolarHBondContact O-N 2.86Å; V680-L703 HydrophobicContact CB-CD2 4.45Å; V680-L703 HydrophobicContact CB-CG 4.45Å; V680-L703 HydrophobicContact CG1-CD2 3.91Å; V680-L703 HydrophobicContact CG1-CG 3.79Å; V680-L703 HydrophobicContact CG2-CD1 4.18Å; V680-L703 HydrophobicContact CG2-CD2 4.25Å; V680-L703 HydrophobicContact CG2-CG 3.96Å; V680-A707 HydrophobicContact CB-CB 4.13Å; V680-A707 HydrophobicContact CG1-CB 3.84Å; V680-A707 HydrophobicContact CG2-CB 4.15Å; V680-I742 HydrophobicContact CG2-CG2 4Å
681T90.6Very high87.3Confident71 Ų7155.3 Ų55.344%0.43629%0.29SS..Hα-helixtrans-69.5-39.9178-59.80000111.1H677 V678 A684 A685H677-T681 WeakPolarHBondContact O-CB 3.31Å; H677-T681 PolarHBondContact O-N 3.2Å; H677-T681 PolarHBondContact O-OG1 2.79Å; V678-T681 PolarHBondContact O-N 3.24Å; T681-A684 PolarHBondContact O-N 3.2Å; T681-A685 WeakPolarHBondContact O-CB 3.24Å; T681-A685 PolarHBondContact O-N 3.17Å
682E90.9Very high86.4Confident82 Ų8260.5 Ų60.538%0.38331%0.306SS..Hα-helixtrans-62.6-44.8171.3-69.6176.5-177.400112K646 V678 A684 A685 L686K646-E682 HydrophobicContact CD-CB 4.32Å; K646-E682 IonicContact NZ-OE2 2.72Å; K646-E682 PolarHBondContact NZ-OE2 3.15Å; V678-E682 HydrophobicContact CG1-CG 4.49Å; V678-E682 WeakPolarHBondContact O-CG 3.49Å; V678-E682 PolarHBondContact O-N 3.36Å; E682-A684 VanDerWaalsContact C-N 3.31Å; E682-A684 PolarHBondContact O-N 2.87Å; E682-A685 PolarHBondContact O-N 3.05Å; E682-L686 PolarHBondContact O-N 3.04Å
683M89.4Confident86Confident0 Ų061.3 Ų61.30%031%0.311CS..Hα-helixtrans-61.3-40.4175.6-170.3-174.8-172.900111.5V643 K646 T647 I650 A679 V680 A685 L686 F687 L703 A746 L749V643-M683 HydrophobicContact CG1-CE 3.73Å; K646-M683 HydrophobicContact CB-CB 4.02Å; K646-M683 HydrophobicContact CB-CG 4.07Å; T647-M683 WeakPolarHBondContact OG1-CE 3.32Å; I650-M683 HydrophobicContact CD1-CB 3.91Å; I650-M683 HydrophobicContact CD1-CG 4.28Å; I650-M683 HydrophobicContact CD1-SD 3.48Å; I650-M683 WeakPolarHBondContact CD1-SD 3.29Å; A679-M683 WeakPolarHBondContact O-CB 3.33Å; A679-M683 PolarHBondContact O-N 2.78Å; V680-M683 PolarHBondContact O-N 3.19Å; M683-A685 VanDerWaalsContact C-N 3.34Å; M683-L686 WeakPolarHBondContact O-CB 3.44Å; M683-L686 PolarHBondContact O-N 3.37Å; M683-F687 VanDerWaalsContact O-CD2 3.28Å; M683-F687 WeakPolarHBondContact O-CD2 3.34Å; M683-F687 WeakPolarHBondContact O-CE2 3.33Å; M683-L703 HydrophobicContact CB-CD2 4.44Å; M683-L703 HydrophobicContact CG-CD2 4.37Å; M683-L703 HydrophobicContact SD-CD2 3.63Å; M683-A746 HydrophobicContact CE-CB 4.31Å; M683-A746 HydrophobicContact SD-CB 4.21Å; M683-L749 HydrophobicContact CE-CB 3.72Å; M683-L749 HydrophobicContact CE-CD1 3.75Å; M683-L749 HydrophobicContact CE-CG 4.39Å; M683-L749 HydrophobicContact SD-CD1 4.21Å
684A88.7Confident85.5Confident29 Ų2966 Ų6624%0.2434%0.336CS..Hα-helixtrans-68.6-32.1176.300000112.7V680 T681 E682 L686 F687 L700V680-A684 WeakPolarHBondContact O-CB 3.45Å; V680-A684 PolarHBondContact O-N 2.86Å; T681-A684 PolarHBondContact O-N 3.2Å; E682-A684 VanDerWaalsContact C-N 3.31Å; E682-A684 PolarHBondContact O-N 2.87Å; A684-L686 VanDerWaalsContact C-N 3.25Å; A684-L686 PolarHBondContact O-N 2.97Å; A684-F687 PolarHBondContact O-N 2.86Å; A684-L700 HydrophobicContact CB-CD2 4.19Å
685A87.8Confident85.1Confident80 Ų8067.5 Ų67.566%0.66135%0.345SS*.Hα-helixtrans-69.5-18.2177.400000113.9T681 E682 M683 F687T681-A685 WeakPolarHBondContact O-CB 3.24Å; T681-A685 PolarHBondContact O-N 3.17Å; E682-A685 PolarHBondContact O-N 3.05Å; M683-A685 VanDerWaalsContact C-N 3.34Å; A685-F687 PolarHBondContact O-N 3.34Å
686L85.1Confident84.8Confident55 Ų5563 Ų6329%0.28833%0.328SS..THydrogen-bonded Turntrans-66-21.5170.8-63.4-177.1000113.1P638 D642 V643 K646 E682 M683 A684P638-L686 HydrophobicContact CB-CB 3.88Å; P638-L686 WeakPolarHBondContact CB-O 3.45Å; P638-L686 HydrophobicContact CG-CB 4.15Å; D642-L686 HydrophobicContact CB-CD1 4.01Å; V643-L686 HydrophobicContact CG2-CD1 4.2Å; K646-L686 HydrophobicContact CB-CD1 4.41Å; K646-L686 HydrophobicContact CG-CD1 3.87Å; E682-L686 PolarHBondContact O-N 3.04Å; M683-L686 WeakPolarHBondContact O-CB 3.44Å; M683-L686 PolarHBondContact O-N 3.37Å; A684-L686 VanDerWaalsContact C-N 3.25Å; A684-L686 PolarHBondContact O-N 2.97Å
687F86.6Confident84.4Confident13 Ų1366.2 Ų66.26%0.05734%0.34CS..SBendtrans-100.1144-175.1-65.7-92.7000111.9P638 V643 M683 A684 A685 V696 L700 L749 T753P638-F687 HydrophobicContact CG-CD1 3.83Å; P638-F687 HydrophobicContact CG-CD2 4.4Å; P638-F687 HydrophobicContact CG-CE1 3.66Å; P638-F687 HydrophobicContact CG-CE2 4.25Å; P638-F687 HydrophobicContact CG-CG 4.22Å; P638-F687 HydrophobicContact CG-CZ 3.88Å; V643-F687 HydrophobicContact CG1-CZ 4.31Å; V643-F687 HydrophobicContact CG2-CE2 4.36Å; V643-F687 HydrophobicContact CG2-CZ 3.97Å; M683-F687 VanDerWaalsContact O-CD2 3.28Å; M683-F687 WeakPolarHBondContact O-CD2 3.34Å; M683-F687 WeakPolarHBondContact O-CE2 3.33Å; A684-F687 PolarHBondContact O-N 2.86Å; A685-F687 PolarHBondContact O-N 3.34Å; F687-V696 HydrophobicContact CD1-CG1 3.58Å; F687-V696 HydrophobicContact CE1-CG1 3.71Å; F687-V696 HydrophobicContact CG-CG1 4.36Å; F687-L700 HydrophobicContact CB-CD1 3.79Å; F687-L700 HydrophobicContact CD1-CD1 4.33Å; F687-L700 HydrophobicContact CD2-CD1 4.07Å; F687-L700 HydrophobicContact CD2-CD2 3.8Å; F687-L700 HydrophobicContact CD2-CG 4.43Å; F687-L700 HydrophobicContact CE2-CD2 4.1Å; F687-L700 HydrophobicContact CG-CD1 3.81Å; F687-L700 HydrophobicContact CG-CD2 4.39Å; F687-L749 HydrophobicContact CZ-CD2 4.19Å; F687-T753 HydrophobicContact CE1-CG2 3.71Å; F687-T753 HydrophobicContact CZ-CG2 3.9Å
688P80.2Confident84.1Confident41 Ų4168.8 Ų68.827%0.26636%0.358SS..  trans-61.9143.3175.826-34.4000110.9K690 P691P688-K690 CarbonylContact O-C 3.31Å; P688-K690 PolarHBondContact O-N 3.42Å; P688-P691 VanDerWaalsContact O-CD 3.31Å; P688-P691 WeakPolarHBondContact O-CD 3.31Å
689K71.3Confident83.9Confident220 Ų22065.4 Ų65.496%0.95734%0.338SS*.SBendtrans-54-14.4-175.1-65.4179.4179.9174.80115.6
690K69.4Low83.8Confident187 Ų18766.2 Ų66.281%0.81334%0.342SS*.SBendtrans-135.890.9166.6-66.8-177-179.3179.70108.5P688P688-K690 CarbonylContact O-C 3.31Å; P688-K690 PolarHBondContact O-N 3.42Å
691P76.5Confident83.6Confident12 Ų1273.9 Ų73.98%0.07837%0.37CS..  trans-68.8136.4174.529.1-33.1000109.6P688 V696 R697 L700P688-P691 VanDerWaalsContact O-CD 3.31Å; P688-P691 WeakPolarHBondContact O-CD 3.31Å; P691-V696 HydrophobicContact CB-CB 4.28Å; P691-V696 HydrophobicContact CB-CG1 3.84Å; P691-V696 HydrophobicContact CG-CG1 4.19Å; P691-R697 HydrophobicContact CG-CB 3.94Å; P691-R697 HydrophobicContact CG-CG 4.06Å; P691-R697 PolarHBondContact O-NE 2.72Å; P691-R697 PolarHBondContact O-NH2 3.33Å; P691-L700 HydrophobicContact CG-CD1 4.41Å
692K69.6Low83.6Confident176 Ų17673.5 Ų73.577%0.76537%0.366SS*.SBendtrans-62-44.7178-68-178.4179.5177.90111D694 R697K692-D694 PolarHBondContact O-N 3.22Å; K692-R697 PolarHBondContact O-NH2 2.87Å
693S81.6Confident83.6Confident23 Ų2369.6 Ų69.616%0.16135%0.347CS..  trans-67.1122.1178.3177.90000112.5M695 V696 R697 E756S693-M695 VanDerWaalsContact C-N 3.27Å; S693-M695 PolarHBondContact O-N 3.46Å; S693-M695 PolarHBondContact OG-N 3.37Å; S693-V696 PolarHBondContact O-N 2.79Å; S693-V696 PolarHBondContact OG-N 2.89Å; S693-R697 WeakPolarHBondContact O-CB 3.34Å; S693-R697 PolarHBondContact O-N 3.12Å; S693-E756 WeakPolarHBondContact CB-OE1 3.5Å; S693-E756 PolarHBondContact OG-OE1 2.91Å
694D81Confident83.8Confident100 Ų10071.8 Ų71.854%0.53536%0.36SS..Hα-helixtrans-67.6-28.4175.3-84.246.9000112K692 R697 T698K692-D694 PolarHBondContact O-N 3.22Å; D694-R697 PolarHBondContact O-N 3.16Å; D694-R697 IonicContact OD1-CZ 2.72Å; D694-R697 IonicContact OD1-NH1 3.68Å; D694-R697 PolarHBondContact OD1-NH1 2.71Å; D694-R697 IonicContact OD1-NH2 3.7Å; D694-R697 PolarHBondContact OD1-NH2 3.29Å; D694-R697 IonicContact OD2-CZ 3.57Å; D694-R697 IonicContact OD2-NH1 3.5Å; D694-R697 PolarHBondContact OD2-NH1 2.72Å; D694-T698 WeakPolarHBondContact O-CB 3.27Å; D694-T698 PolarHBondContact O-N 3.21Å; D694-T698 PolarHBondContact O-OG1 3.29Å
695M83Confident83.9Confident123 Ų12373.5 Ų73.561%0.60637%0.371SS*.Hα-helixtrans-69.1-47.1174.4-63.1-17870.800111.5S693 R697 T698 S699 I752S693-M695 VanDerWaalsContact C-N 3.27Å; S693-M695 PolarHBondContact O-N 3.46Å; S693-M695 PolarHBondContact OG-N 3.37Å; M695-R697 VanDerWaalsContact C-N 3.32Å; M695-R697 PolarHBondContact O-N 2.88Å; M695-T698 PolarHBondContact O-N 2.95Å; M695-S699 PolarHBondContact O-N 2.87Å; M695-S699 PolarHBondContact O-OG 3.11Å; M695-I752 HydrophobicContact CB-CD1 3.81Å; M695-I752 HydrophobicContact CB-CG1 4.38Å; M695-I752 HydrophobicContact CE-CD1 4.46Å; M695-I752 HydrophobicContact CE-CG1 4.31Å
696V85.2Confident84.2Confident0 Ų069.7 Ų69.70%034%0.339CS..Hα-helixtrans-58.3-46.2172.7174.70000110.2F687 P691 S693 T698 S699 L700 L749 I752F687-V696 HydrophobicContact CD1-CG1 3.58Å; F687-V696 HydrophobicContact CE1-CG1 3.71Å; F687-V696 HydrophobicContact CG-CG1 4.36Å; P691-V696 HydrophobicContact CB-CB 4.28Å; P691-V696 HydrophobicContact CB-CG1 3.84Å; P691-V696 HydrophobicContact CG-CG1 4.19Å; S693-V696 PolarHBondContact O-N 2.79Å; S693-V696 PolarHBondContact OG-N 2.89Å; V696-T698 VanDerWaalsContact C-N 3.29Å; V696-T698 PolarHBondContact O-N 3.21Å; V696-S699 PolarHBondContact O-N 3.01Å; V696-L700 HydrophobicContact CG1-CD1 3.76Å; V696-L700 HydrophobicContact CG1-CG 4.29Å; V696-L700 WeakPolarHBondContact O-CB 3.31Å; V696-L700 WeakPolarHBondContact O-CG 3.47Å; V696-L700 PolarHBondContact O-N 3.42Å; V696-L749 HydrophobicContact CG1-CD2 4.13Å; V696-I752 HydrophobicContact CG2-CB 4.42Å; V696-I752 HydrophobicContact CG2-CG2 3.48Å; V696-I752 VanDerWaalsContact CG2-CG2 3.48Å
697R85.1Confident84.5Confident66 Ų6667.1 Ų67.125%0.24933%0.326CS..Hα-helixtrans-60.5-37.6179-155.1-177.3-51.3119.714.2112.7P691 K692 S693 D694 M695 R701P691-R697 HydrophobicContact CG-CB 3.94Å; P691-R697 HydrophobicContact CG-CG 4.06Å; P691-R697 PolarHBondContact O-NE 2.72Å; P691-R697 PolarHBondContact O-NH2 3.33Å; K692-R697 PolarHBondContact O-NH2 2.87Å; S693-R697 WeakPolarHBondContact O-CB 3.34Å; S693-R697 PolarHBondContact O-N 3.12Å; D694-R697 PolarHBondContact O-N 3.16Å; D694-R697 IonicContact OD1-CZ 2.72Å; D694-R697 IonicContact OD1-NH1 3.68Å; D694-R697 PolarHBondContact OD1-NH1 2.71Å; D694-R697 IonicContact OD1-NH2 3.7Å; D694-R697 PolarHBondContact OD1-NH2 3.29Å; D694-R697 IonicContact OD2-CZ 3.57Å; D694-R697 IonicContact OD2-NH1 3.5Å; D694-R697 PolarHBondContact OD2-NH1 2.72Å; M695-R697 VanDerWaalsContact C-N 3.32Å; M695-R697 PolarHBondContact O-N 2.88Å; R697-R701 WeakPolarHBondContact O-CD 3.21Å; R697-R701 WeakPolarHBondContact O-CG 3.43Å; R697-R701 PolarHBondContact O-N 2.94Å
698T86.4Confident84.8Confident83 Ų8373.2 Ų73.251%0.50935%0.349SS..Hα-helixtrans-74.4-44.7179.4-59.20000111.4D694 M695 V696 R701 L702D694-T698 WeakPolarHBondContact O-CB 3.27Å; D694-T698 PolarHBondContact O-N 3.21Å; D694-T698 PolarHBondContact O-OG1 3.29Å; M695-T698 PolarHBondContact O-N 2.95Å; V696-T698 VanDerWaalsContact C-N 3.29Å; V696-T698 PolarHBondContact O-N 3.21Å; T698-R701 PolarHBondContact O-N 3.3Å; T698-L702 PolarHBondContact O-N 3.41Å
699S89.4Confident85.4Confident8 Ų876 Ų766%0.05636%0.355CS..Hα-helixtrans-67.2-37.2178.7-53.80000112.2M695 V696 L702 L703M695-S699 PolarHBondContact O-N 2.87Å; M695-S699 PolarHBondContact O-OG 3.11Å; V696-S699 PolarHBondContact O-N 3.01Å; S699-L702 PolarHBondContact O-N 2.87Å; S699-L703 WeakPolarHBondContact O-CB 3.44Å; S699-L703 PolarHBondContact O-N 3.05Å
700L89.3Confident86.4Confident21 Ų2165.5 Ų65.511%0.1131%0.309CS..Hα-helixtrans-64.6-40.4172.3-76.7171.9000113A684 F687 P691 V696 T704 L749A684-L700 HydrophobicContact CB-CD2 4.19Å; F687-L700 HydrophobicContact CB-CD1 3.79Å; F687-L700 HydrophobicContact CD1-CD1 4.33Å; F687-L700 HydrophobicContact CD2-CD1 4.07Å; F687-L700 HydrophobicContact CD2-CD2 3.8Å; F687-L700 HydrophobicContact CD2-CG 4.43Å; F687-L700 HydrophobicContact CE2-CD2 4.1Å; F687-L700 HydrophobicContact CG-CD1 3.81Å; F687-L700 HydrophobicContact CG-CD2 4.39Å; P691-L700 HydrophobicContact CG-CD1 4.41Å; V696-L700 HydrophobicContact CG1-CD1 3.76Å; V696-L700 HydrophobicContact CG1-CG 4.29Å; V696-L700 WeakPolarHBondContact O-CB 3.31Å; V696-L700 WeakPolarHBondContact O-CG 3.47Å; V696-L700 PolarHBondContact O-N 3.42Å; L700-T704 WeakPolarHBondContact O-CB 3.39Å; L700-T704 PolarHBondContact O-N 3.38Å; L700-T704 PolarHBondContact O-OG1 2.83Å; L700-L749 HydrophobicContact CD2-CD1 3.8Å; L700-L749 HydrophobicContact CD2-CD2 4.34Å; L700-L749 HydrophobicContact CG-CD1 4.26Å; L700-L749 HydrophobicContact CG-CD2 4.02Å
701R88.9Confident87.4Confident161 Ų16158 Ų5861%0.60828%0.277SS*.Hα-helixtrans-62.2-45.8173.8-76.2166.1177.1173.9-3.5111R697 T698 S705R697-R701 WeakPolarHBondContact O-CD 3.21Å; R697-R701 WeakPolarHBondContact O-CG 3.43Å; R697-R701 PolarHBondContact O-N 2.94Å; T698-R701 PolarHBondContact O-N 3.3Å; R701-S705 VanDerWaalsContact O-CB 3.29Å; R701-S705 WeakPolarHBondContact O-CB 3.39Å; R701-S705 PolarHBondContact O-N 3.34Å; R701-S705 PolarHBondContact O-OG 3.15Å
702L90.4Very high88Confident64 Ų6460.5 Ų60.534%0.33530%0.295SS..Hα-helixtrans-61.5-48.9176.9-17760.2000111.6T698 S699 T704 S705 S706 A745T698-L702 PolarHBondContact O-N 3.41Å; S699-L702 PolarHBondContact O-N 2.87Å; L702-T704 PolarHBondContact O-N 2.93Å; L702-S705 PolarHBondContact O-OG 3.45Å; L702-S706 VanDerWaalsContact O-CB 3.26Å; L702-S706 WeakPolarHBondContact O-CB 3.34Å; L702-S706 PolarHBondContact O-N 3Å; L702-S706 PolarHBondContact O-OG 3.26Å; L702-S706 VanDerWaalsContact O-OG 3.05Å; L702-A745 HydrophobicContact CB-CB 4.23Å; L702-A745 HydrophobicContact CD2-CB 4.04Å; L702-A745 HydrophobicContact CG-CB 4Å
703L91.8Very high88.8Confident0 Ų053 Ų530%026%0.263CS..Hα-helixtrans-55.4-51.1177.1-170.178.7000111.9V680 M683 S699 A707 I742 A745 A746 L749V680-L703 HydrophobicContact CB-CD2 4.45Å; V680-L703 HydrophobicContact CB-CG 4.45Å; V680-L703 HydrophobicContact CG1-CD2 3.91Å; V680-L703 HydrophobicContact CG1-CG 3.79Å; V680-L703 HydrophobicContact CG2-CD1 4.18Å; V680-L703 HydrophobicContact CG2-CD2 4.25Å; V680-L703 HydrophobicContact CG2-CG 3.96Å; M683-L703 HydrophobicContact CB-CD2 4.44Å; M683-L703 HydrophobicContact CG-CD2 4.37Å; M683-L703 HydrophobicContact SD-CD2 3.63Å; S699-L703 WeakPolarHBondContact O-CB 3.44Å; S699-L703 PolarHBondContact O-N 3.05Å; L703-A707 WeakPolarHBondContact O-CB 3.48Å; L703-A707 PolarHBondContact O-N 3.4Å; L703-I742 HydrophobicContact CD1-CG2 3.77Å; L703-I742 WeakPolarHBondContact CD1-O 3.22Å; L703-A745 HydrophobicContact CB-CB 3.92Å; L703-A745 HydrophobicContact CD1-CB 3.94Å; L703-A746 HydrophobicContact CD1-CB 3.91Å; L703-L749 HydrophobicContact CD2-CD1 4.02Å
704T92.1Very high89.1Confident45 Ų4552 Ų5228%0.27626%0.255SS..Hα-helixtrans-68.1-44.8-176.2-51.80000111.8L700 L702 A707 Y708L700-T704 WeakPolarHBondContact O-CB 3.39Å; L700-T704 PolarHBondContact O-N 3.38Å; L700-T704 PolarHBondContact O-OG1 2.83Å; L702-T704 PolarHBondContact O-N 2.93Å; T704-A707 PolarHBondContact O-N 3.05Å; T704-Y708 HydrophobicContact CG2-CD2 4.02Å; T704-Y708 HydrophobicContact CG2-CE2 3.79Å; T704-Y708 VanDerWaalsContact O-CD2 3.31Å; T704-Y708 WeakPolarHBondContact O-CD2 3.25Å; T704-Y708 PolarHBondContact O-N 3.35Å
705S91.8Very high89.2Confident65 Ų6552.6 Ų52.646%0.45525%0.253SS..Hα-helixtrans-67.9-40.4179.455.40000112.4R701 L702 A707 Y708 R709R701-S705 VanDerWaalsContact O-CB 3.29Å; R701-S705 WeakPolarHBondContact O-CB 3.39Å; R701-S705 PolarHBondContact O-N 3.34Å; R701-S705 PolarHBondContact O-OG 3.15Å; L702-S705 PolarHBondContact O-OG 3.45Å; S705-A707 VanDerWaalsContact C-N 3.32Å; S705-A707 PolarHBondContact O-N 3.32Å; S705-Y708 PolarHBondContact O-N 3.46Å; S705-R709 WeakPolarHBondContact O-CB 3.3Å; S705-R709 PolarHBondContact O-N 2.85Å
706S93.1Very high89Confident0 Ų051 Ų510%024%0.243CC..Hα-helixtrans-66-32.7174.2-63.80000112.3L702 R709 L710L702-S706 VanDerWaalsContact O-CB 3.26Å; L702-S706 WeakPolarHBondContact O-CB 3.34Å; L702-S706 PolarHBondContact O-N 3Å; L702-S706 PolarHBondContact O-OG 3.26Å; L702-S706 VanDerWaalsContact O-OG 3.05Å; S706-R709 PolarHBondContact O-N 2.94Å; S706-L710 WeakPolarHBondContact O-CB 3.25Å; S706-L710 PolarHBondContact O-N 3.36Å
707A92.6Very high88.2Confident1 Ų152.4 Ų52.41%0.00825%0.252CS..Hα-helixtrans-67.8-41.7172.600000113V680 L703 T704 S705 L710 Q711 I742V680-A707 HydrophobicContact CB-CB 4.13Å; V680-A707 HydrophobicContact CG1-CB 3.84Å; V680-A707 HydrophobicContact CG2-CB 4.15Å; L703-A707 WeakPolarHBondContact O-CB 3.48Å; L703-A707 PolarHBondContact O-N 3.4Å; T704-A707 PolarHBondContact O-N 3.05Å; S705-A707 VanDerWaalsContact C-N 3.32Å; S705-A707 PolarHBondContact O-N 3.32Å; A707-L710 PolarHBondContact O-N 3.12Å; A707-Q711 PolarHBondContact O-N 3.47Å; A707-Q711 VanDerWaalsContact O-N 3.12Å; A707-I742 HydrophobicContact CB-CD1 4.24Å
708Y92.3Very high87.3Confident141 Ų14154.2 Ų54.255%0.55327%0.265SS*.Hα-helixtrans-65.4-39.5171.3-79.9-61.3000112.3H677 T704 S705 Q711 S712H677-Y708 AromaticContact CE1-CD1 3.63Å; H677-Y708 AromaticContact CE1-CE1 3.27Å; H677-Y708 WeakPolarHBondContact CE1-CE1 3.39Å; H677-Y708 AromaticContact CE1-CZ 3.49Å; H677-Y708 VanDerWaalsContact CE1-CZ 3.49Å; H677-Y708 AromaticContact NE2-CE1 3.79Å; H677-Y708 AromaticContact NE2-CZ 3.99Å; T704-Y708 HydrophobicContact CG2-CD2 4.02Å; T704-Y708 HydrophobicContact CG2-CE2 3.79Å; T704-Y708 VanDerWaalsContact O-CD2 3.31Å; T704-Y708 WeakPolarHBondContact O-CD2 3.25Å; T704-Y708 PolarHBondContact O-N 3.35Å; S705-Y708 PolarHBondContact O-N 3.46Å; Y708-Q711 PolarHBondContact O-N 2.82Å; Y708-S712 PolarHBondContact O-N 2.96Å
709R91.7Very high86Confident100 Ų10056.7 Ų56.738%0.37728%0.283SS..Hα-helixtrans-61.6-46175.3-158.6179.375.2-151.9-0.3110.4S705 S706 Q711 S712 E713 C738 D741S705-R709 WeakPolarHBondContact O-CB 3.3Å; S705-R709 PolarHBondContact O-N 2.85Å; S706-R709 PolarHBondContact O-N 2.94Å; R709-Q711 PolarHBondContact O-N 3.23Å; R709-S712 WeakPolarHBondContact O-CA 3.22Å; R709-S712 WeakPolarHBondContact O-CB 3.41Å; R709-S712 PolarHBondContact O-N 3.22Å; R709-E713 WeakPolarHBondContact O-CG 3.42Å; R709-E713 PolarHBondContact O-N 3.44Å; R709-C738 PolarHBondContact NE-SG 2.86Å; R709-C738 PolarHBondContact NH2-SG 3.16Å; R709-D741 IonicContact CZ-OD2 2.64Å; R709-D741 IonicContact NH1-OD2 3.23Å; R709-D741 PolarHBondContact NH1-OD2 3.49Å; R709-D741 IonicContact NH2-OD2 3.55Å; R709-D741 PolarHBondContact NH2-OD2 3.38Å
710L92.4Very high84.2Confident0 Ų059.4 Ų59.40%031%0.312CS..Hα-helixtrans-55.1-48174.8177.262.3000112.4L657 I676 S706 A707 S712 E713 C714 V735 C738 I742L657-L710 HydrophobicContact CD2-CD1 3.77Å; L657-L710 HydrophobicContact CD2-CD2 4.02Å; L657-L710 HydrophobicContact CD2-CG 4.49Å; I676-L710 HydrophobicContact CB-CD2 4.17Å; I676-L710 HydrophobicContact CD1-CD2 3.66Å; I676-L710 HydrophobicContact CG2-CD2 3.88Å; S706-L710 WeakPolarHBondContact O-CB 3.25Å; S706-L710 PolarHBondContact O-N 3.36Å; A707-L710 PolarHBondContact O-N 3.12Å; L710-S712 VanDerWaalsContact C-N 3.27Å; L710-S712 PolarHBondContact O-N 2.69Å; L710-E713 PolarHBondContact O-N 3.29Å; L710-C714 WeakPolarHBondContact O-CB 3.39Å; L710-C714 PolarHBondContact O-N 2.84Å; L710-C714 PolarHBondContact O-SG 3.15Å; L710-V735 HydrophobicContact CD1-CB 4.41Å; L710-V735 HydrophobicContact CD1-CG1 3.91Å; L710-C738 HydrophobicContact CB-CB 3.81Å; L710-C738 HydrophobicContact CD1-CB 3.98Å; L710-C738 HydrophobicContact CG-CB 4.45Å; L710-I742 HydrophobicContact CB-CD1 4.19Å; L710-I742 HydrophobicContact CD2-CD1 3.74Å
711Q92.1Very high82Confident28 Ų2865.8 Ų65.813%0.13135%0.347CS..Hα-helixtrans-62.8-33175.7-74.2-175.5-40.800112.9H677 A707 Y708 R709 K715H677-Q711 HydrophobicContact CB-CG 4.23Å; H677-Q711 VanDerWaalsContact CB-NE2 3.32Å; H677-Q711 PolarHBondContact ND1-OE1 2.99Å; A707-Q711 PolarHBondContact O-N 3.47Å; A707-Q711 VanDerWaalsContact O-N 3.12Å; Y708-Q711 PolarHBondContact O-N 2.82Å; R709-Q711 PolarHBondContact O-N 3.23Å; Q711-K715 WeakPolarHBondContact O-CD 3.38Å; Q711-K715 VanDerWaalsContact O-CG 3.28Å; Q711-K715 WeakPolarHBondContact O-CG 3.41Å; Q711-K715 PolarHBondContact O-N 3.21Å
712S87.8Confident80Confident66 Ų6664.6 Ų64.646%0.46236%0.36SS..Hα-helixtrans-70.2-39.7175.1-169.20000111.8Y708 R709 L710 K715Y708-S712 PolarHBondContact O-N 2.96Å; R709-S712 WeakPolarHBondContact O-CA 3.22Å; R709-S712 WeakPolarHBondContact O-CB 3.41Å; R709-S712 PolarHBondContact O-N 3.22Å; L710-S712 VanDerWaalsContact C-N 3.27Å; L710-S712 PolarHBondContact O-N 2.69Å; S712-K715 PolarHBondContact O-N 3.49Å
713E87.5Confident78.1Confident19 Ų1965.1 Ų65.19%0.08938%0.38CS..Hα-helixtrans-71-42.9177-61.8-46.8133.600112R709 L710 K715 K716 Q734 V735R709-E713 WeakPolarHBondContact O-CG 3.42Å; R709-E713 PolarHBondContact O-N 3.44Å; L710-E713 PolarHBondContact O-N 3.29Å; E713-K715 PolarHBondContact O-N 2.64Å; E713-K715 VanDerWaalsContact O-N 3.09Å; E713-K716 WeakPolarHBondContact O-CB 3.45Å; E713-K716 PolarHBondContact O-N 2.71Å; E713-K716 WeakPolarHBondContact OE1-CE 3.44Å; E713-K716 IonicContact OE1-NZ 3.7Å; E713-K716 PolarHBondContact OE1-NZ 2.91Å; E713-K716 WeakPolarHBondContact OE2-CD 3.33Å; E713-K716 WeakPolarHBondContact OE2-CE 3.37Å; E713-K716 IonicContact OE2-NZ 3.65Å; E713-K716 PolarHBondContact OE2-NZ 3.31Å; E713-Q734 HydrophobicContact CG-CB 4.26Å; E713-Q734 PolarHBondContact OE2-OE1 3.4Å; E713-Q734 VanDerWaalsContact OE2-OE1 3.11Å; E713-V735 HydrophobicContact CB-CG2 3.77Å
714C86.4Confident76Confident0 Ų069.1 Ų69.10%041%0.408CS..THydrogen-bonded Turntrans-64.9-12.8175.8-630000113.6I670 L710 T717I670-C714 HydrophobicContact CG1-CB 4.39Å; I670-C714 WeakPolarHBondContact CG1-O 3.45Å; L710-C714 WeakPolarHBondContact O-CB 3.39Å; L710-C714 PolarHBondContact O-N 2.84Å; L710-C714 PolarHBondContact O-SG 3.15Å; C714-T717 PolarHBondContact O-OG1 3.2Å; C714-T717 VanDerWaalsContact O-OG1 3.04Å
715K83.3Confident74Confident113 Ų11373.3 Ų73.349%0.49144%0.436SS..THydrogen-bonded Turntrans-89.2-15.7172.3-75.6172.5-176.9-179.50113.5I670 Q711 S712 E713 T717I670-K715 HydrophobicContact CD1-CG 4.46Å; Q711-K715 WeakPolarHBondContact O-CD 3.38Å; Q711-K715 VanDerWaalsContact O-CG 3.28Å; Q711-K715 WeakPolarHBondContact O-CG 3.41Å; Q711-K715 PolarHBondContact O-N 3.21Å; S712-K715 PolarHBondContact O-N 3.49Å; E713-K715 PolarHBondContact O-N 2.64Å; E713-K715 VanDerWaalsContact O-N 3.09Å; K715-T717 VanDerWaalsContact C-N 3.28Å
716K80.3Confident72.5Confident91 Ų9173.6 Ų73.640%0.39644%0.435SS..THydrogen-bonded Turntrans-77.9-11173.4-59.3-179-163.9163.30113.2E713 L718 V731E713-K716 WeakPolarHBondContact O-CB 3.45Å; E713-K716 PolarHBondContact O-N 2.71Å; E713-K716 WeakPolarHBondContact OE1-CE 3.44Å; E713-K716 IonicContact OE1-NZ 3.7Å; E713-K716 PolarHBondContact OE1-NZ 2.91Å; E713-K716 WeakPolarHBondContact OE2-CD 3.33Å; E713-K716 WeakPolarHBondContact OE2-CE 3.37Å; E713-K716 IonicContact OE2-NZ 3.65Å; E713-K716 PolarHBondContact OE2-NZ 3.31Å; K716-L718 VanDerWaalsContact C-N 3.29Å; K716-V731 HydrophobicContact CB-CG1 4.21Å; K716-V731 HydrophobicContact CB-CG2 4.29Å
717T68.8Low71.5Confident29 Ų2977.6 Ų77.618%0.17846%0.457CS..THydrogen-bonded Turntrans-85.93.7174580000113.6Y669 C714 K715 V731Y669-T717 HydrophobicContact CD2-CG2 3.82Å; Y669-T717 HydrophobicContact CE2-CG2 4.02Å; C714-T717 PolarHBondContact O-OG1 3.2Å; C714-T717 VanDerWaalsContact O-OG1 3.04Å; K715-T717 VanDerWaalsContact C-N 3.28Å; T717-V731 HydrophobicContact CG2-CB 4.43Å; T717-V731 HydrophobicContact CG2-CG1 3.56Å
718L65.9Low70.5Confident103 Ų10380.7 Ų80.754%0.53948%0.475SS..SBendtrans-78139.7169.8-71.6168.4000110.4I670 K716 G720I670-L718 HydrophobicContact CD1-CD1 3.87Å; I670-L718 HydrophobicContact CD1-CD2 3.83Å; I670-L718 HydrophobicContact CD1-CG 3.79Å; K716-L718 VanDerWaalsContact C-N 3.29Å; L718-G720 PolarHBondContact O-N 3.17Å; L718-G720 VanDerWaalsContact O-N 3.09Å
719P58.3Low69.7Low136 Ų13681.7 Ų81.788%0.88349%0.485SS*.  trans-69.6105.5171.328.5-32.7000110
720G50.9Low69.3Low65 Ų6580.6 Ų80.667%0.6749%0.486SS*.  trans-152.1124.3-177.500000113.4L718L718-G720 PolarHBondContact O-N 3.17Å; L718-G720 VanDerWaalsContact O-N 3.09Å
721D43.4Very low68.8Low155 Ų15581 Ų8183%0.82949%0.488SS*.  trans63.5129.5179.1-115.1-25.5000117.3G723D721-G723 PolarHBondContact O-N 2.93Å
722P47.6Very low68.5Low136 Ų13680.4 Ų80.488%0.88349%0.487SS*.THydrogen-bonded Turntrans-7414.4-176-15.531.5000115.8
723G50Low68.5Low74 Ų7483.5 Ų83.576%0.76349%0.494SS*.THydrogen-bonded Turntrans-82.3-20.7-161.100000116.8D721D721-G723 PolarHBondContact O-N 2.93Å
724S47.7Very low68.5Low85 Ų8586 Ų8659%0.59451%0.506SS*.SBendtrans-159146.3179.561.70000112.5T726S724-T726 PolarHBondContact O-N 3.42Å
725P50.4Low68.7Low132 Ų13286 Ų8686%0.85751%0.506SS*.  trans-69.597.9169.330-32.9000109.1D727P725-D727 PolarHBondContact O-N 3.25Å; P725-D727 VanDerWaalsContact O-N 3.12Å
726T59.4Low69Low71 Ų7183 Ų8344%0.43650%0.495SS..  trans-66.1110.8169.7-63.30000108S724 V728 V731S724-T726 PolarHBondContact O-N 3.42Å; T726-V728 PolarHBondContact O-N 2.93Å; T726-V731 HydrophobicContact CG2-CG2 3.71Å
727D71.8Confident69.6Low84 Ų8483.4 Ų83.445%0.44950%0.498SS..  trans-67.5100.8176.6-179.8-9000109.5P725 Q729 L730 V731P725-D727 PolarHBondContact O-N 3.25Å; P725-D727 VanDerWaalsContact O-N 3.12Å; D727-Q729 PolarHBondContact O-N 3.44Å; D727-Q729 WeakPolarHBondContact OD1-CA 3.48Å; D727-Q729 WeakPolarHBondContact OD1-CB 3.24Å; D727-Q729 PolarHBondContact OD1-N 3.34Å; D727-L730 HydrophobicContact CB-CB 3.79Å; D727-L730 PolarHBondContact O-N 2.99Å; D727-L730 VanDerWaalsContact O-N 3.17Å; D727-L730 PolarHBondContact OD1-N 3.11Å; D727-V731 WeakPolarHBondContact O-CG2 3.47Å; D727-V731 PolarHBondContact O-N 3.4Å
728V72.4Confident70.7Confident66 Ų6682 Ų8240%0.449%0.49SS..Hα-helixtrans-63.6-26.7-178.4-177.10000111.6H666 T726 T732H666-V728 WeakPolarHBondContact CE1-CG1 3.26Å; H666-V728 VanDerWaalsContact NE2-CG1 3.34Å; H666-V728 WeakPolarHBondContact NE2-CG1 3.35Å; T726-V728 PolarHBondContact O-N 2.93Å; V728-T732 VanDerWaalsContact O-CB 3.22Å; V728-T732 WeakPolarHBondContact O-CB 3.49Å; V728-T732 PolarHBondContact O-N 3.17Å; V728-T732 PolarHBondContact O-OG1 2.94Å
729Q75.8Confident71.9Confident162 Ų16277.2 Ų77.276%0.75746%0.464SS*.Hα-helixtrans-73.5-44.8174.4-59-171.9-800110.4D727 T732 Q733D727-Q729 PolarHBondContact O-N 3.44Å; D727-Q729 WeakPolarHBondContact OD1-CA 3.48Å; D727-Q729 WeakPolarHBondContact OD1-CB 3.24Å; D727-Q729 PolarHBondContact OD1-N 3.34Å; Q729-T732 PolarHBondContact O-N 2.86Å; Q729-Q733 WeakPolarHBondContact O-CB 3.42Å; Q729-Q733 PolarHBondContact O-N 3.4Å
730L82.6Confident73.5Confident77 Ų7777.2 Ų77.240%0.40345%0.448SS..Hα-helixtrans-61.5-44.4174.6-178.363.4000112.2D727 T732 Q733 Q734D727-L730 HydrophobicContact CB-CB 3.79Å; D727-L730 PolarHBondContact O-N 2.99Å; D727-L730 VanDerWaalsContact O-N 3.17Å; D727-L730 PolarHBondContact OD1-N 3.11Å; L730-T732 VanDerWaalsContact C-N 3.34Å; L730-Q733 PolarHBondContact O-N 2.78Å; L730-Q734 VanDerWaalsContact O-CG 3.32Å; L730-Q734 WeakPolarHBondContact O-CG 3.32Å; L730-Q734 PolarHBondContact O-N 3.17Å
731V82.7Confident75.5Confident8 Ų875.7 Ų75.75%0.04843%0.425CS..Hα-helixtrans-64.1-40.9175.5177.60000110.8K716 T717 T726 D727 Q733 Q734 V735K716-V731 HydrophobicContact CB-CG1 4.21Å; K716-V731 HydrophobicContact CB-CG2 4.29Å; T717-V731 HydrophobicContact CG2-CB 4.43Å; T717-V731 HydrophobicContact CG2-CG1 3.56Å; T726-V731 HydrophobicContact CG2-CG2 3.71Å; D727-V731 WeakPolarHBondContact O-CG2 3.47Å; D727-V731 PolarHBondContact O-N 3.4Å; V731-Q733 VanDerWaalsContact C-N 3.35Å; V731-Q733 PolarHBondContact O-N 3.03Å; V731-Q734 PolarHBondContact O-N 3.18Å; V731-V735 HydrophobicContact CG1-CG2 4.4Å; V731-V735 WeakPolarHBondContact O-CB 3.48Å; V731-V735 WeakPolarHBondContact O-CG2 3.36Å; V731-V735 PolarHBondContact O-N 3.32Å
732T85.2Confident77.8Confident16 Ų1668.3 Ų68.310%0.09839%0.385CS..Hα-helixtrans-61.9-41.2174.6-65.30000111.9A661 H666 Y669 V728 Q729 L730 Q734 V735 I736A661-T732 HydrophobicContact CB-CG2 4Å; H666-T732 PolarHBondContact CE1-OG1 3.19Å; Y669-T732 VanDerWaalsContact OH-CG2 3.25Å; Y669-T732 WeakPolarHBondContact OH-CG2 3.25Å; Y669-T732 PolarHBondContact OH-OG1 3.28Å; V728-T732 VanDerWaalsContact O-CB 3.22Å; V728-T732 WeakPolarHBondContact O-CB 3.49Å; V728-T732 PolarHBondContact O-N 3.17Å; V728-T732 PolarHBondContact O-OG1 2.94Å; Q729-T732 PolarHBondContact O-N 2.86Å; L730-T732 VanDerWaalsContact C-N 3.34Å; T732-Q734 PolarHBondContact O-N 3.48Å; T732-V735 PolarHBondContact O-N 3.04Å; T732-I736 HydrophobicContact CG2-CD1 3.87Å; T732-I736 WeakPolarHBondContact O-CB 3.46Å; T732-I736 WeakPolarHBondContact O-CD1 3.39Å; T732-I736 VanDerWaalsContact O-CG1 3.24Å; T732-I736 WeakPolarHBondContact O-CG1 3.43Å; T732-I736 PolarHBondContact O-N 3.5Å
733Q87.6Confident79.9Confident132 Ų13263.1 Ų63.162%0.61735%0.354SS*.Hα-helixtrans-63.2-40.6174.2-168.1-179.322.400111.9Q729 L730 V731 I736 Q737Q729-Q733 WeakPolarHBondContact O-CB 3.42Å; Q729-Q733 PolarHBondContact O-N 3.4Å; L730-Q733 PolarHBondContact O-N 2.78Å; V731-Q733 VanDerWaalsContact C-N 3.35Å; V731-Q733 PolarHBondContact O-N 3.03Å; Q733-I736 PolarHBondContact O-N 3.09Å; Q733-Q737 PolarHBondContact O-N 3.02Å
734Q88.4Confident81.9Confident70 Ų7066 Ų6633%0.32735%0.345SS..Hα-helixtrans-67.3-40176.7-71173.911.700112E713 L730 V731 T732 Q737 C738E713-Q734 HydrophobicContact CG-CB 4.26Å; E713-Q734 PolarHBondContact OE2-OE1 3.4Å; E713-Q734 VanDerWaalsContact OE2-OE1 3.11Å; L730-Q734 VanDerWaalsContact O-CG 3.32Å; L730-Q734 WeakPolarHBondContact O-CG 3.32Å; L730-Q734 PolarHBondContact O-N 3.17Å; V731-Q734 PolarHBondContact O-N 3.18Å; T732-Q734 PolarHBondContact O-N 3.48Å; Q734-Q737 PolarHBondContact O-N 2.89Å; Q734-C738 PolarHBondContact O-N 3.4Å; Q734-C738 PolarHBondContact O-SG 3.27Å
735V90.1Very high83.9Confident0 Ų062 Ų620%032%0.317CS..Hα-helixtrans-60-47.2172165.30000111.1L657 Y669 L710 E713 V731 T732 Q737 C738 A739L657-V735 HydrophobicContact CD1-CG1 3.9Å; L657-V735 HydrophobicContact CD2-CG1 3.96Å; L657-V735 HydrophobicContact CG-CG1 4.14Å; Y669-V735 HydrophobicContact CD2-CG1 4.21Å; Y669-V735 HydrophobicContact CD2-CG2 4.12Å; Y669-V735 HydrophobicContact CE2-CB 4.42Å; Y669-V735 HydrophobicContact CE2-CG1 4.22Å; Y669-V735 HydrophobicContact CE2-CG2 4.25Å; L710-V735 HydrophobicContact CD1-CB 4.41Å; L710-V735 HydrophobicContact CD1-CG1 3.91Å; E713-V735 HydrophobicContact CB-CG2 3.77Å; V731-V735 HydrophobicContact CG1-CG2 4.4Å; V731-V735 WeakPolarHBondContact O-CB 3.48Å; V731-V735 WeakPolarHBondContact O-CG2 3.36Å; V731-V735 PolarHBondContact O-N 3.32Å; T732-V735 PolarHBondContact O-N 3.04Å; V735-Q737 PolarHBondContact O-N 2.96Å; V735-C738 PolarHBondContact O-N 3.36Å; V735-A739 PolarHBondContact O-N 3.26Å
736I90.4Very high85.8Confident51 Ų5155.7 Ų55.726%0.26228%0.276SS..Hα-helixtrans-60.6-44.9176.1-70.4165.3000111.1L658 A661 T732 Q733 C738 A739 Y740L658-I736 HydrophobicContact CD2-CB 4.31Å; L658-I736 HydrophobicContact CD2-CG1 3.9Å; L658-I736 HydrophobicContact CD2-CG2 4.06Å; A661-I736 HydrophobicContact CB-CD1 4.21Å; A661-I736 HydrophobicContact CB-CG1 4.26Å; T732-I736 HydrophobicContact CG2-CD1 3.87Å; T732-I736 WeakPolarHBondContact O-CB 3.46Å; T732-I736 WeakPolarHBondContact O-CD1 3.39Å; T732-I736 VanDerWaalsContact O-CG1 3.24Å; T732-I736 WeakPolarHBondContact O-CG1 3.43Å; T732-I736 PolarHBondContact O-N 3.5Å; Q733-I736 PolarHBondContact O-N 3.09Å; I736-C738 PolarHBondContact O-N 3.37Å; I736-A739 WeakPolarHBondContact O-CB 3.43Å; I736-A739 PolarHBondContact O-N 2.91Å; I736-Y740 HydrophobicContact CG2-CD2 3.78Å; I736-Y740 HydrophobicContact CG2-CE2 3.51Å; I736-Y740 VanDerWaalsContact O-CD2 3.31Å; I736-Y740 WeakPolarHBondContact O-CD2 3.29Å; I736-Y740 PolarHBondContact O-N 3.03Å
737Q91.4Very high87.2Confident99 Ų9959.6 Ų59.646%0.46329%0.287SS..Hα-helixtrans-63.4-41.5177.5-174.260.349.800112.1Q733 Q734 V735 A739 Y740 D741Q733-Q737 PolarHBondContact O-N 3.02Å; Q734-Q737 PolarHBondContact O-N 2.89Å; V735-Q737 PolarHBondContact O-N 2.96Å; Q737-A739 VanDerWaalsContact C-N 3.28Å; Q737-A739 PolarHBondContact O-N 3.17Å; Q737-Y740 PolarHBondContact O-N 3.14Å; Q737-D741 PolarHBondContact NE2-OD1 3.28Å; Q737-D741 PolarHBondContact O-N 3.1Å
738C92Very high88Confident1 Ų159.1 Ų59.11%0.00728%0.282CS..Hα-helixtrans-60.8-39174.7-61.40000111.8R709 L710 Q734 V735 I736 D741 I742R709-C738 PolarHBondContact NE-SG 2.86Å; R709-C738 PolarHBondContact NH2-SG 3.16Å; L710-C738 HydrophobicContact CB-CB 3.81Å; L710-C738 HydrophobicContact CD1-CB 3.98Å; L710-C738 HydrophobicContact CG-CB 4.45Å; Q734-C738 PolarHBondContact O-N 3.4Å; Q734-C738 PolarHBondContact O-SG 3.27Å; V735-C738 PolarHBondContact O-N 3.36Å; I736-C738 PolarHBondContact O-N 3.37Å; C738-D741 PolarHBondContact O-N 2.91Å; C738-I742 WeakPolarHBondContact O-CD1 3.13Å; C738-I742 WeakPolarHBondContact O-CG1 3.49Å; C738-I742 PolarHBondContact O-N 3.2Å
739A91.8Very high88.8Confident1 Ų156 Ų561%0.00826%0.263CS..Hα-helixtrans-64.1-41.7176.100000112.3I654 L657 L658 V735 I736 Q737 I742 A743I654-A739 HydrophobicContact CG1-CB 4.34Å; I654-A739 HydrophobicContact CG2-CB 4.02Å; L657-A739 HydrophobicContact CD2-CB 4.15Å; L658-A739 HydrophobicContact CD2-CB 4.44Å; V735-A739 PolarHBondContact O-N 3.26Å; I736-A739 WeakPolarHBondContact O-CB 3.43Å; I736-A739 PolarHBondContact O-N 2.91Å; Q737-A739 VanDerWaalsContact C-N 3.28Å; Q737-A739 PolarHBondContact O-N 3.17Å; A739-I742 PolarHBondContact O-N 3Å; A739-A743 PolarHBondContact O-N 3.16Å
740Y91.9Very high89.3Confident136 Ų13649.5 Ų49.553%0.53324%0.235SC..Hα-helixtrans-64.3-41.6173.4-78.6-61.8000113I736 Q737 I742 A743 K744I736-Y740 HydrophobicContact CG2-CD2 3.78Å; I736-Y740 HydrophobicContact CG2-CE2 3.51Å; I736-Y740 VanDerWaalsContact O-CD2 3.31Å; I736-Y740 WeakPolarHBondContact O-CD2 3.29Å; I736-Y740 PolarHBondContact O-N 3.03Å; Q737-Y740 PolarHBondContact O-N 3.14Å; Y740-I742 VanDerWaalsContact C-N 3.33Å; Y740-I742 PolarHBondContact O-N 3.23Å; Y740-A743 PolarHBondContact O-N 2.99Å; Y740-K744 WeakPolarHBondContact O-CB 3.47Å; Y740-K744 PolarHBondContact O-N 3.13Å
741D91.8Very high89.5Confident34 Ų3449.2 Ų49.218%0.18224%0.236CC..Hα-helixtrans-62.8-40177.9-69-6.7000111.6R709 Q737 C738 K744 A745R709-D741 IonicContact CZ-OD2 2.64Å; R709-D741 IonicContact NH1-OD2 3.23Å; R709-D741 PolarHBondContact NH1-OD2 3.49Å; R709-D741 IonicContact NH2-OD2 3.55Å; R709-D741 PolarHBondContact NH2-OD2 3.38Å; Q737-D741 PolarHBondContact NE2-OD1 3.28Å; Q737-D741 PolarHBondContact O-N 3.1Å; C738-D741 PolarHBondContact O-N 2.91Å; D741-K744 PolarHBondContact O-N 3.08Å; D741-A745 WeakPolarHBondContact O-CB 3.25Å; D741-A745 PolarHBondContact O-N 3.16Å
742I92.4Very high89.6Confident0 Ų049.4 Ų49.40%024%0.237CC..Hα-helixtrans-64.4-47.4174.5-65.4164000110.4I650 I654 I676 V680 L703 A707 L710 C738 A739 Y740 K744 A745 A746I650-I742 HydrophobicContact CG2-CG2 3.63Å; I654-I742 HydrophobicContact CD1-CB 4.16Å; I654-I742 HydrophobicContact CD1-CG2 3.88Å; I676-I742 HydrophobicContact CG2-CD1 3.85Å; I676-I742 HydrophobicContact CG2-CG2 4.38Å; V680-I742 HydrophobicContact CG2-CG2 4Å; L703-I742 HydrophobicContact CD1-CG2 3.77Å; L703-I742 WeakPolarHBondContact CD1-O 3.22Å; A707-I742 HydrophobicContact CB-CD1 4.24Å; L710-I742 HydrophobicContact CB-CD1 4.19Å; L710-I742 HydrophobicContact CD2-CD1 3.74Å; C738-I742 WeakPolarHBondContact O-CD1 3.13Å; C738-I742 WeakPolarHBondContact O-CG1 3.49Å; C738-I742 PolarHBondContact O-N 3.2Å; A739-I742 PolarHBondContact O-N 3Å; Y740-I742 VanDerWaalsContact C-N 3.33Å; Y740-I742 PolarHBondContact O-N 3.23Å; I742-K744 VanDerWaalsContact C-N 3.33Å; I742-K744 PolarHBondContact O-N 2.84Å; I742-A745 PolarHBondContact O-N 3.13Å; I742-A746 WeakPolarHBondContact O-CB 3.28Å; I742-A746 PolarHBondContact O-N 3.37Å
743A91.7Very high89.4Confident27 Ų2748.7 Ų48.722%0.22323%0.232CC..Hα-helixtrans-61.5-39.4178.100000112.4I654 A739 Y740 K747I654-A743 HydrophobicContact CD1-CB 4.15Å; A739-A743 PolarHBondContact O-N 3.16Å; Y740-A743 PolarHBondContact O-N 2.99Å; A743-K747 WeakPolarHBondContact O-CB 3.33Å; A743-K747 PolarHBondContact O-N 2.76Å
744K91.4Very high89.1Confident135 Ų13544.9 Ų44.959%0.58722%0.218SC*.Hα-helixtrans-63.1-46.8175.1-173.4175.4-178.8177.30111.3Y740 D741 I742 K747 Q748Y740-K744 WeakPolarHBondContact O-CB 3.47Å; Y740-K744 PolarHBondContact O-N 3.13Å; D741-K744 PolarHBondContact O-N 3.08Å; I742-K744 VanDerWaalsContact C-N 3.33Å; I742-K744 PolarHBondContact O-N 2.84Å; K744-K747 PolarHBondContact O-N 3.45Å; K744-Q748 WeakPolarHBondContact O-CG 3.32Å; K744-Q748 PolarHBondContact O-N 3.38Å
745A90.3Very high88.5Confident0 Ų047.9 Ų47.90%023%0.23CC..Hα-helixtrans-65.2-40.4178.600000112.8L702 L703 D741 I742 Q748 L749L702-A745 HydrophobicContact CB-CB 4.23Å; L702-A745 HydrophobicContact CD2-CB 4.04Å; L702-A745 HydrophobicContact CG-CB 4Å; L703-A745 HydrophobicContact CB-CB 3.92Å; L703-A745 HydrophobicContact CD1-CB 3.94Å; D741-A745 WeakPolarHBondContact O-CB 3.25Å; D741-A745 PolarHBondContact O-N 3.16Å; I742-A745 PolarHBondContact O-N 3.13Å; A745-Q748 WeakPolarHBondContact O-CB 3.45Å; A745-Q748 PolarHBondContact O-N 3.5Å; A745-L749 WeakPolarHBondContact O-CG 3.18Å; A745-L749 PolarHBondContact O-N 2.98Å
746A89.9Confident87.7Confident0 Ų050.7 Ų50.70%024%0.243CC..Hα-helixtrans-66.4-43.7176.700000111.8T647 M683 L703 I742 Q748 L749 V750T647-A746 HydrophobicContact CG2-CB 3.82Å; M683-A746 HydrophobicContact CE-CB 4.31Å; M683-A746 HydrophobicContact SD-CB 4.21Å; L703-A746 HydrophobicContact CD1-CB 3.91Å; I742-A746 WeakPolarHBondContact O-CB 3.28Å; I742-A746 PolarHBondContact O-N 3.37Å; A746-Q748 VanDerWaalsContact C-N 3.31Å; A746-Q748 PolarHBondContact O-N 3.24Å; A746-L749 PolarHBondContact O-N 2.92Å; A746-L749 VanDerWaalsContact O-N 3.17Å; A746-V750 PolarHBondContact O-N 2.85Å; A746-V750 VanDerWaalsContact O-N 3.07Å
747K90.5Very high86.5Confident152 Ų15251 Ų5166%0.66125%0.246SC*.Hα-helixtrans-60.9-38.5173.2-174.9179.6177.7-175.70112.1A743 K744 V750 T751A743-K747 WeakPolarHBondContact O-CB 3.33Å; A743-K747 PolarHBondContact O-N 2.76Å; K744-K747 PolarHBondContact O-N 3.45Å; K747-V750 PolarHBondContact O-N 3.28Å; K747-T751 PolarHBondContact O-N 3.09Å; K747-T751 PolarHBondContact O-OG1 3.21Å; K747-T751 VanDerWaalsContact O-OG1 3.07Å
748Q88.5Confident84.8Confident74 Ų7452.3 Ų52.335%0.34626%0.256SS..Hα-helixtrans-61.6-44.5173.6-78.4175.7-32.300111.7K744 A745 A746 V750 T751 I752K744-Q748 WeakPolarHBondContact O-CG 3.32Å; K744-Q748 PolarHBondContact O-N 3.38Å; A745-Q748 WeakPolarHBondContact O-CB 3.45Å; A745-Q748 PolarHBondContact O-N 3.5Å; A746-Q748 VanDerWaalsContact C-N 3.31Å; A746-Q748 PolarHBondContact O-N 3.24Å; Q748-V750 PolarHBondContact O-N 3.46Å; Q748-T751 PolarHBondContact O-N 3.04Å; Q748-I752 WeakPolarHBondContact O-CD1 3.34Å; Q748-I752 VanDerWaalsContact O-CG1 3.22Å; Q748-I752 WeakPolarHBondContact O-CG1 3.34Å; Q748-I752 PolarHBondContact O-N 2.93Å
749L87.7Confident82.6Confident0 Ų061.9 Ų61.90%031%0.307CS..Hα-helixtrans-60.1-45.7177.1-72.6167.1000112.2V643 M683 F687 V696 L700 L703 A745 A746 T751 I752 T753V643-L749 HydrophobicContact CG1-CB 4.48Å; M683-L749 HydrophobicContact CE-CB 3.72Å; M683-L749 HydrophobicContact CE-CD1 3.75Å; M683-L749 HydrophobicContact CE-CG 4.39Å; M683-L749 HydrophobicContact SD-CD1 4.21Å; F687-L749 HydrophobicContact CZ-CD2 4.19Å; V696-L749 HydrophobicContact CG1-CD2 4.13Å; L700-L749 HydrophobicContact CD2-CD1 3.8Å; L700-L749 HydrophobicContact CD2-CD2 4.34Å; L700-L749 HydrophobicContact CG-CD1 4.26Å; L700-L749 HydrophobicContact CG-CD2 4.02Å; L703-L749 HydrophobicContact CD2-CD1 4.02Å; A745-L749 WeakPolarHBondContact O-CG 3.18Å; A745-L749 PolarHBondContact O-N 2.98Å; A746-L749 PolarHBondContact O-N 2.92Å; A746-L749 VanDerWaalsContact O-N 3.17Å; L749-T751 VanDerWaalsContact C-N 3.35Å; L749-T751 PolarHBondContact O-N 2.97Å; L749-I752 PolarHBondContact O-N 3.26Å; L749-T753 PolarHBondContact O-N 3.11Å; L749-T753 PolarHBondContact O-OG1 2.74Å; L749-T753 VanDerWaalsContact O-OG1 3.1Å
750V87.6Confident82.1Confident27 Ų2765 Ų6516%0.16432%0.322CS..Hα-helixtrans-56.8-47173.8172.70000111.4V643 I644 T647 A746 K747 Q748 I752 T753 T754V643-V750 HydrophobicContact CG1-CG2 4.05Å; I644-V750 HydrophobicContact CD1-CG1 4.35Å; I644-V750 HydrophobicContact CG1-CG1 3.7Å; I644-V750 HydrophobicContact CG1-CG2 4.16Å; T647-V750 HydrophobicContact CG2-CG2 4Å; T647-V750 VanDerWaalsContact OG1-CG2 3.23Å; T647-V750 WeakPolarHBondContact OG1-CG2 3.42Å; A746-V750 PolarHBondContact O-N 2.85Å; A746-V750 VanDerWaalsContact O-N 3.07Å; K747-V750 PolarHBondContact O-N 3.28Å; Q748-V750 PolarHBondContact O-N 3.46Å; V750-I752 VanDerWaalsContact C-N 3.34Å; V750-I752 PolarHBondContact O-N 3.35Å; V750-T753 PolarHBondContact O-OG1 3.44Å; V750-T754 VanDerWaalsContact O-CB 3.27Å; V750-T754 WeakPolarHBondContact O-CB 3.37Å; V750-T754 PolarHBondContact O-N 3.32Å; V750-T754 PolarHBondContact O-OG1 2.9Å
751T86.3Confident81.6Confident70 Ų7061.2 Ų61.243%0.42931%0.311SS..Hα-helixtrans-61.6-41.4178.3-58.80000111.9K747 Q748 L749 K755K747-T751 PolarHBondContact O-N 3.09Å; K747-T751 PolarHBondContact O-OG1 3.21Å; K747-T751 VanDerWaalsContact O-OG1 3.07Å; Q748-T751 PolarHBondContact O-N 3.04Å; L749-T751 VanDerWaalsContact C-N 3.35Å; L749-T751 PolarHBondContact O-N 2.97Å; T751-K755 WeakPolarHBondContact O-CG 3.45Å; T751-K755 PolarHBondContact O-N 2.86Å; T751-K755 VanDerWaalsContact O-N 3.14Å
752I85Confident81.1Confident13 Ų1362.7 Ų62.77%0.06732%0.318CS..Hα-helixtrans-69.2-48.5-179.5-63.7157.6000110.5M695 V696 Q748 L749 V750 T754 K755 E756M695-I752 HydrophobicContact CB-CD1 3.81Å; M695-I752 HydrophobicContact CB-CG1 4.38Å; M695-I752 HydrophobicContact CE-CD1 4.46Å; M695-I752 HydrophobicContact CE-CG1 4.31Å; V696-I752 HydrophobicContact CG2-CB 4.42Å; V696-I752 HydrophobicContact CG2-CG2 3.48Å; V696-I752 VanDerWaalsContact CG2-CG2 3.48Å; Q748-I752 WeakPolarHBondContact O-CD1 3.34Å; Q748-I752 VanDerWaalsContact O-CG1 3.22Å; Q748-I752 WeakPolarHBondContact O-CG1 3.34Å; Q748-I752 PolarHBondContact O-N 2.93Å; L749-I752 PolarHBondContact O-N 3.26Å; V750-I752 VanDerWaalsContact C-N 3.34Å; V750-I752 PolarHBondContact O-N 3.35Å; I752-T754 VanDerWaalsContact C-N 3.28Å; I752-T754 PolarHBondContact O-N 3.29Å; I752-K755 PolarHBondContact O-N 3.06Å; I752-E756 HydrophobicContact CG2-CG 4.06Å; I752-E756 WeakPolarHBondContact CG2-OE1 3.39Å; I752-E756 PolarHBondContact O-N 3.17Å
753T81.6Confident80.4Confident0 Ų066.4 Ų66.40%034%0.337CS..Hα-helixtrans-67.3-29.117856.40000112.6V643 F687 L749 V750 K755 N757V643-T753 HydrophobicContact CG1-CG2 4.43Å; V643-T753 HydrophobicContact CG2-CG2 4.27Å; F687-T753 HydrophobicContact CE1-CG2 3.71Å; F687-T753 HydrophobicContact CZ-CG2 3.9Å; L749-T753 PolarHBondContact O-N 3.11Å; L749-T753 PolarHBondContact O-OG1 2.74Å; L749-T753 VanDerWaalsContact O-OG1 3.1Å; V750-T753 PolarHBondContact O-OG1 3.44Å; T753-K755 VanDerWaalsContact C-N 3.29Å; T753-K755 PolarHBondContact O-N 2.62Å; T753-N757 VanDerWaalsContact O-CB 3.24Å; T753-N757 WeakPolarHBondContact O-CB 3.47Å; T753-N757 PolarHBondContact O-N 2.96Å; T753-N757 PolarHBondContact O-ND2 2.97Å
754T79.6Confident79.7Confident53 Ų5368.9 Ų68.933%0.32534%0.344SS..Hα-helixtrans-66.7-30.8170.9-54.20000111.9T640 V750 I752 N758T640-T754 VanDerWaalsContact CG2-OG1 3.27Å; T640-T754 WeakPolarHBondContact CG2-OG1 3.44Å; V750-T754 VanDerWaalsContact O-CB 3.27Å; V750-T754 WeakPolarHBondContact O-CB 3.37Å; V750-T754 PolarHBondContact O-N 3.32Å; V750-T754 PolarHBondContact O-OG1 2.9Å; I752-T754 VanDerWaalsContact C-N 3.28Å; I752-T754 PolarHBondContact O-N 3.29Å; T754-N758 PolarHBondContact O-ND2 2.66Å
755K77.2Confident78.9Confident132 Ų13264.5 Ų64.557%0.57433%0.327SS*.Hα-helixtrans-79.8-47.6173.1-71.8-174.7174.6-165.30111.9T751 I752 T753 N757 N758T751-K755 WeakPolarHBondContact O-CG 3.45Å; T751-K755 PolarHBondContact O-N 2.86Å; T751-K755 VanDerWaalsContact O-N 3.14Å; I752-K755 PolarHBondContact O-N 3.06Å; T753-K755 VanDerWaalsContact C-N 3.29Å; T753-K755 PolarHBondContact O-N 2.62Å; K755-N757 VanDerWaalsContact C-N 3.27Å; K755-N757 PolarHBondContact O-N 3.09Å; K755-N758 PolarHBondContact O-N 2.95Å
756E73.3Confident78.1Confident59 Ų5969.1 Ų69.128%0.27635%0.351SS..Hα-helixtrans-71.6-13.8-175.7-66.6-179.3-172.400114.3L637 S693 I752L637-E756 HydrophobicContact CD1-CB 3.56Å; L637-E756 WeakPolarHBondContact CD1-OE2 3.38Å; S693-E756 WeakPolarHBondContact CB-OE1 3.5Å; S693-E756 PolarHBondContact OG-OE1 2.91Å; I752-E756 HydrophobicContact CG2-CG 4.06Å; I752-E756 WeakPolarHBondContact CG2-OE1 3.39Å; I752-E756 PolarHBondContact O-N 3.17Å
757N64.4Low77.2Confident59 Ų5974.4 Ų74.432%0.31638%0.378SS..THydrogen-bonded Turntrans-1042.3173.5-68.7-24.8000114.1P638 T640 T753 K755P638-N757 PolarHBondContact O-ND2 3.12Å; P638-N757 VanDerWaalsContact O-ND2 3.1Å; T640-N757 PolarHBondContact OG1-ND2 2.89Å; T753-N757 VanDerWaalsContact O-CB 3.24Å; T753-N757 WeakPolarHBondContact O-CB 3.47Å; T753-N757 PolarHBondContact O-N 2.96Å; T753-N757 PolarHBondContact O-ND2 2.97Å; K755-N757 VanDerWaalsContact C-N 3.27Å; K755-N757 PolarHBondContact O-N 3.09Å
758N55.9Low76.1Confident126 Ų12667.9 Ų67.967%0.67435%0.354SS*.  trans-111.51175.3-82.4-57.8000113.1T754 K755T754-N758 PolarHBondContact O-ND2 2.66Å; K755-N758 PolarHBondContact O-N 2.95Å
759N45.9Very low75Confident202 Ų20267.4 Ų67.4100%1.0836%0.355SS*.  trans-112.80171.1-72.513.2000109.8

Retrieved 759 of 759 residues in 3338.2 ms (Link to these results)

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