A0A087X5K4_POEFO Loading...

Homer scaffold protein 3b

AlphaFold DB , UniProt , Accession A0A087X5K4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 360 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
1M44.8Very low86.1Confident246 Ų24687.2 Ų87.2100%1.21246%0.464SS*.  0157.70-56.2-172.5-141.900108.1
2G61.4Low87.1Confident69 Ų6986.4 Ų86.471%0.71146%0.455SS*.PPolyproline II helixtrans-78.2163.8178.300000113.2Q4G2-Q4 PolarHBondContact O-N 2.59Å
3E76.6Confident87.9Confident85 Ų8579.8 Ų79.840%0.39742%0.42SS..PPolyproline II helixtrans-57.5131.6167.3-65.2178.5175.600109.6F37 R46E3-F37 HydrophobicContact CB-CD1 4.01Å; E3-F37 WeakPolarHBondContact O-CE1 3.41Å; E3-R46 IonicContact OE1-NH2 2.74Å; E3-R46 PolarHBondContact OE1-NH2 2.78Å; E3-R46 IonicContact OE2-CZ 3.65Å; E3-R46 IonicContact OE2-NH2 2.88Å; E3-R46 PolarHBondContact OE2-NH2 3.23Å
4Q86.4Confident88.6Confident170 Ų17078.1 Ų78.179%0.79441%0.408SS*.PPolyproline II helixtrans-86.4143172.8-68.8-171.9-1.900110.4G2G2-Q4 PolarHBondContact O-N 2.59Å
5P93.4Very high89.2Confident61 Ų6176.8 Ų76.840%0.39640%0.399SS..EExtended strand (participates in β ladder)trans-74.5139175.430.7-33.6000111S8 F36 F37P5-S8 WeakPolarHBondContact CB-OG 3.47Å; P5-S8 WeakPolarHBondContact CG-OG 3.49Å; P5-F36 CarbonylContact C-O 3.59Å; P5-F36 WeakPolarHBondContact CA-O 3.34Å; P5-F37 HydrophobicContact CB-CD1 4.22Å; P5-F37 HydrophobicContact CB-CE1 3.78Å; P5-F37 HydrophobicContact CB-CE2 4.34Å; P5-F37 HydrophobicContact CB-CZ 3.85Å; P5-F37 HydrophobicContact CG-CE1 4.33Å; P5-F37 HydrophobicContact CG-CZ 4.46Å
6I95.3Very high89.5Confident87 Ų8773.4 Ų73.445%0.44638%0.381SS..EExtended strand (participates in β ladder)trans-69.9-45.9174.2-53167.2000109.6F36 Y45I6-F36 HydrophobicContact CB-CB 4.42Å; I6-F36 PolarHBondContact N-O 3.42Å; I6-Y45 HydrophobicContact CD1-CD1 3.63Å; I6-Y45 HydrophobicContact CD1-CE1 3.7Å
7F97.2Very high89.5Confident44 Ų4470.6 Ų70.619%0.19337%0.367CS..EExtended strand (participates in β ladder)trans-143.6146.8178174.9-94.7000108.9T9 S35 F36 Q98 F99 Q102F7-T9 HydrophobicContact CE1-CG2 3.78Å; F7-S35 CarbonylContact O-C 3.57Å; F7-S35 WeakPolarHBondContact O-CA 3.4Å; F7-S35 WeakPolarHBondContact O-CB 3.5Å; F7-F36 HydrophobicContact CB-CD2 4.09Å; F7-F36 AromaticContact CD1-CD2 3.82Å; F7-F36 HydrophobicContact CD1-CD2 3.82Å; F7-F36 AromaticContact CD1-CE2 3.95Å; F7-F36 HydrophobicContact CD1-CE2 3.95Å; F7-F36 HydrophobicContact CG-CD2 4.41Å; F7-F36 PolarHBondContact O-N 3.09Å; F7-Q98 HydrophobicContact CZ-CB 4.21Å; F7-F99 HydrophobicContact CE1-CD2 4.35Å; F7-Q102 HydrophobicContact CB-CG 4.24Å; F7-Q102 HydrophobicContact CD1-CB 4.33Å; F7-Q102 HydrophobicContact CD1-CG 4.11Å; F7-Q102 HydrophobicContact CD2-CG 3.79Å; F7-Q102 HydrophobicContact CE1-CG 4.38Å; F7-Q102 HydrophobicContact CE2-CG 4.1Å; F7-Q102 HydrophobicContact CG-CB 4.39Å; F7-Q102 HydrophobicContact CG-CG 3.79Å; F7-Q102 HydrophobicContact CZ-CG 4.38Å
8S97.7Very high89.4Confident56 Ų5671.8 Ų71.839%0.39238%0.38SS..EExtended strand (participates in β ladder)trans-140.2135.6178-640000110.8P5 S35P5-S8 WeakPolarHBondContact CB-OG 3.47Å; P5-S8 WeakPolarHBondContact CG-OG 3.49Å; S8-S35 VanDerWaalsContact CB-OG 3.31Å; S8-S35 WeakPolarHBondContact CB-OG 3.37Å; S8-S35 WeakPolarHBondContact OG-CB 3.18Å; S8-S35 PolarHBondContact OG-OG 2.87Å
9T98Very high89.2Confident11 Ų1172.7 Ų72.77%0.06740%0.398CS..EExtended strand (participates in β ladder)trans-140176.1176.4-171.60000111.3F7 T33 V34 F90 F99F7-T9 HydrophobicContact CE1-CG2 3.78Å; T9-T33 CarbonylContact O-C 3.6Å; T9-T33 WeakPolarHBondContact O-CA 3.42Å; T9-V34 PolarHBondContact N-O 3.33Å; T9-V34 PolarHBondContact O-N 2.82Å; T9-F90 HydrophobicContact CG2-CE1 3.88Å; T9-F99 HydrophobicContact CG2-CD2 3.75Å; T9-F99 HydrophobicContact CG2-CE2 4.44Å
10R97.8Very high89.2Confident130 Ų13072.2 Ų72.249%0.49140%0.398SS..EExtended strand (participates in β ladder)trans-120120.1-175.9-65.5-73.8-70.5173.64110.3A31 V32 T33R10-A31 PolarHBondContact NH2-O 3.48Å; R10-V32 WeakPolarHBondContact CA-O 3.18Å; R10-T33 WeakPolarHBondContact CD-OG1 3.49Å; R10-T33 VanDerWaalsContact NH1-N 3.19Å; R10-T33 PolarHBondContact NH1-OG1 3.33Å
11A98.3Very high89.1Confident0 Ų073.1 Ų73.10%040%0.397CS..EExtended strand (participates in β ladder)trans-148.5155.5-17800000111.9A31 V32 V34 L88 G89 F90A11-A31 WeakPolarHBondContact O-CA 2.85Å; A11-V32 PolarHBondContact N-O 3.17Å; A11-V32 WeakPolarHBondContact O-CG2 3.33Å; A11-V32 PolarHBondContact O-N 2.81Å; A11-V34 HydrophobicContact CB-CG2 4.33Å; A11-L88 HydrophobicContact CB-CB 4.15Å; A11-L88 HydrophobicContact CB-CD2 4.1Å; A11-G89 WeakPolarHBondContact CA-O 3.3Å; A11-F90 HydrophobicContact CB-CD1 3.84Å; A11-F90 HydrophobicContact CB-CE1 3.84Å; A11-F90 HydrophobicContact CB-CG 4.39Å; A11-F90 HydrophobicContact CB-CZ 4.37Å
12H98.3Very high91.2Very high78 Ų7871.6 Ų71.636%0.36138%0.378SS..EExtended strand (participates in β ladder)trans-79.8128.1164.3-64.887000108.7F14 A31 L88 G89H12-F14 HydrophobicContact CB-CE2 3.7Å; H12-F14 HydrophobicContact CB-CZ 4.2Å; H12-F14 WeakPolarHBondContact O-CD2 3.24Å; H12-A31 PolarHBondContact CD2-N 3.41Å; H12-A31 VanDerWaalsContact CD2-N 3.26Å; H12-A31 PolarHBondContact NE2-N 2.7Å; H12-L88 WeakPolarHBondContact O-CA 3.31Å; H12-G89 PolarHBondContact N-O 2.9Å; H12-G89 PolarHBondContact O-N 2.99Å
13V98.2Very high92.6Very high0 Ų072.7 Ų72.70%037%0.368CS..EExtended strand (participates in β ladder)trans-96.2132.9-178-174.70000110.2A27 S28 V32 V34 I56 I57 L88V13-A27 HydrophobicContact CB-CB 4.27Å; V13-A27 HydrophobicContact CG1-CB 3.96Å; V13-A27 PolarHBondContact O-N 3.49Å; V13-S28 PolarHBondContact N-OG 3.18Å; V13-S28 PolarHBondContact O-N 2.69Å; V13-V32 HydrophobicContact CB-CG2 4.5Å; V13-V32 HydrophobicContact CG2-CG2 3.42Å; V13-V32 VanDerWaalsContact CG2-CG2 3.42Å; V13-V34 HydrophobicContact CG2-CG2 4.05Å; V13-I56 HydrophobicContact CB-CD1 4.07Å; V13-I56 HydrophobicContact CG1-CD1 4.44Å; V13-I56 HydrophobicContact CG2-CD1 4.13Å; V13-I57 HydrophobicContact CB-CD1 4.41Å; V13-I57 HydrophobicContact CG1-CD1 3.62Å; V13-I57 HydrophobicContact CG1-CG1 3.65Å; V13-I57 HydrophobicContact CG2-CD1 3.81Å; V13-I57 HydrophobicContact CG2-CG1 4.38Å; V13-L88 HydrophobicContact CB-CD2 4.33Å; V13-L88 HydrophobicContact CG1-CD2 4.4Å; V13-L88 HydrophobicContact CG2-CD2 3.78Å
14F97.8Very high93.5Very high57 Ų5772.7 Ų72.725%0.2536%0.364CS..EExtended strand (participates in β ladder)trans-124.5154.1173.6-58-97.1000109.5H12 W24 L25 P26 F74 G87H12-F14 HydrophobicContact CB-CE2 3.7Å; H12-F14 HydrophobicContact CB-CZ 4.2Å; H12-F14 WeakPolarHBondContact O-CD2 3.24Å; F14-W24 HydrophobicContact CB-CD2 4.48Å; F14-W24 HydrophobicContact CB-CE3 3.7Å; F14-W24 HydrophobicContact CB-CZ3 4.24Å; F14-L25 CarbonylContact C-O 3.55Å; F14-L25 VanDerWaalsContact CA-O 3.25Å; F14-L25 WeakPolarHBondContact CA-O 3.44Å; F14-P26 HydrophobicContact CD1-CB 4.14Å; F14-P26 HydrophobicContact CE1-CB 4.05Å; F14-F74 AromaticContact CD2-CE2 3.71Å; F14-F74 HydrophobicContact CD2-CE2 3.71Å; F14-F74 HydrophobicContact CE2-CE2 4.17Å; F14-F74 HydrophobicContact CG-CE2 4.25Å; F14-G87 PolarHBondContact N-O 3.2Å; F14-G87 PolarHBondContact O-N 3.35Å
15Q96.6Very high94Very high58 Ų5868.6 Ų68.627%0.27135%0.347SS..EExtended strand (participates in β ladder)trans-128.5147.9167.6-66.8-177.228.100108.7L25 A27 I56 V85 Y86Q15-L25 PolarHBondContact N-O 2.84Å; Q15-L25 PolarHBondContact O-N 3.06Å; Q15-A27 HydrophobicContact CG-CB 4.34Å; Q15-I56 PolarHBondContact NE2-O 2.69Å; Q15-V85 CarbonylContact C-O 3.54Å; Q15-V85 WeakPolarHBondContact CA-O 3.27Å; Q15-Y86 HydrophobicContact CG-CD1 3.77Å; Q15-Y86 HydrophobicContact CG-CE1 3.92Å
16I93.9Very high94.1Very high22 Ų2270.1 Ų70.111%0.11336%0.357CS..EExtended strand (participates in β ladder)trans-70.3138.8171.1-151.6167000109.5K21 N23 W24 V85I16-K21 VanDerWaalsContact CD1-C 3.47Å; I16-K21 VanDerWaalsContact CD1-O 3.22Å; I16-K21 WeakPolarHBondContact CD1-O 3.45Å; I16-N23 WeakPolarHBondContact CA-O 3.41Å; I16-N23 WeakPolarHBondContact CG1-O 2.93Å; I16-W24 HydrophobicContact CB-CZ3 4.47Å; I16-V85 HydrophobicContact CB-CB 4.07Å; I16-V85 HydrophobicContact CG2-CB 3.73Å; I16-V85 HydrophobicContact CG2-CG2 3.88Å; I16-V85 PolarHBondContact N-O 2.78Å
17D90.8Very high94.1Very high26 Ų2667.7 Ų67.714%0.13935%0.35CS..  trans-57.4122174.7168.422.9000110.2A19 T20 K21 N23 L25D17-A19 PolarHBondContact O-N 2.82Å; D17-A19 WeakPolarHBondContact OD1-CB 3.38Å; D17-A19 PolarHBondContact OD1-N 3.1Å; D17-T20 WeakPolarHBondContact OD2-CB 2.93Å; D17-T20 VanDerWaalsContact OD2-CG2 3.22Å; D17-T20 WeakPolarHBondContact OD2-CG2 3.37Å; D17-T20 PolarHBondContact OD2-N 2.99Å; D17-T20 PolarHBondContact OD2-OG1 2.72Å; D17-K21 VanDerWaalsContact O-CA 3.25Å; D17-K21 WeakPolarHBondContact O-CA 3.05Å; D17-K21 PolarHBondContact O-N 2.73Å; D17-N23 HydrophobicContact CB-CB 4.15Å; D17-N23 PolarHBondContact N-O 3.49Å; D17-L25 HydrophobicContact CB-CD1 3.85Å; D17-L25 HydrophobicContact CB-CG 3.98Å
18P86.9Confident93.9Very high93 Ų9366.1 Ų66.160%0.60434%0.344SS*.THydrogen-bonded Turntrans-65.5-22.9179.827.6-35.6000113.4K21P18-K21 WeakPolarHBondContact O-CE 3.46Å
19A86.5Confident93.6Very high88 Ų8872.8 Ų72.873%0.72737%0.366SS*.THydrogen-bonded Turntrans-81.7-55.1179.500000112.3D17D17-A19 PolarHBondContact O-N 2.82Å; D17-A19 WeakPolarHBondContact OD1-CB 3.38Å; D17-A19 PolarHBondContact OD1-N 3.1Å
20T89.1Confident93.4Very high63 Ų6379 Ų7939%0.38739%0.394SS..THydrogen-bonded Turntrans-84.6-19.4-178.962.20000114.5D17 R22 N23D17-T20 WeakPolarHBondContact OD2-CB 2.93Å; D17-T20 VanDerWaalsContact OD2-CG2 3.22Å; D17-T20 WeakPolarHBondContact OD2-CG2 3.37Å; D17-T20 PolarHBondContact OD2-N 2.99Å; D17-T20 PolarHBondContact OD2-OG1 2.72Å; T20-R22 WeakPolarHBondContact O-CG 3.28Å; T20-R22 PolarHBondContact O-N 3.46Å; T20-N23 PolarHBondContact OG1-N 2.85Å; T20-N23 PolarHBondContact OG1-ND2 3.12Å; T20-N23 VanDerWaalsContact OG1-ND2 3.16Å
21K86.9Confident93.4Very high91 Ų9174.1 Ų74.140%0.39638%0.382SS..SBendtrans47.926.9-174.2-61.4-71.7-169.8170.60113.8I16 D17 P18 N83I16-K21 VanDerWaalsContact CD1-C 3.47Å; I16-K21 VanDerWaalsContact CD1-O 3.22Å; I16-K21 WeakPolarHBondContact CD1-O 3.45Å; D17-K21 VanDerWaalsContact O-CA 3.25Å; D17-K21 WeakPolarHBondContact O-CA 3.05Å; D17-K21 PolarHBondContact O-N 2.73Å; P18-K21 WeakPolarHBondContact O-CE 3.46Å; K21-N83 PolarHBondContact NZ-O 3.48Å; K21-N83 PolarHBondContact NZ-OD1 2.88Å
22R87.7Confident93.3Very high214 Ų21475 Ų7581%0.80839%0.388SS*.SBendtrans-136.8-34.9-178.7-71.7-179.6-178-118.62.4113.4T20T20-R22 WeakPolarHBondContact O-CG 3.28Å; T20-R22 PolarHBondContact O-N 3.46Å
23N92.3Very high93.3Very high92 Ų9274.3 Ų74.349%0.49239%0.389SS..SBendtrans-84142.7-178.6-65.6-40.5000111.9I16 D17 T20I16-N23 WeakPolarHBondContact CA-O 3.41Å; I16-N23 WeakPolarHBondContact CG1-O 2.93Å; D17-N23 HydrophobicContact CB-CB 4.15Å; D17-N23 PolarHBondContact N-O 3.49Å; T20-N23 PolarHBondContact OG1-N 2.85Å; T20-N23 PolarHBondContact OG1-ND2 3.12Å; T20-N23 VanDerWaalsContact OG1-ND2 3.16Å
24W95.4Very high93.3Very high86 Ų8674.3 Ų74.333%0.32639%0.389SS..EExtended strand (participates in β ladder)trans-93.3122.9172.8-75.6107.2000111.1F14 I16 F74 Q76 V85F14-W24 HydrophobicContact CB-CD2 4.48Å; F14-W24 HydrophobicContact CB-CE3 3.7Å; F14-W24 HydrophobicContact CB-CZ3 4.24Å; I16-W24 HydrophobicContact CB-CZ3 4.47Å; W24-F74 HydrophobicContact CD2-CZ 4.13Å; W24-F74 AromaticContact CE2-CZ 3.92Å; W24-F74 HydrophobicContact CE3-CZ 4.34Å; W24-F74 HydrophobicContact CH2-CE1 4.29Å; W24-F74 HydrophobicContact CH2-CZ 4.14Å; W24-F74 AromaticContact CZ2-CE1 3.85Å; W24-F74 HydrophobicContact CZ2-CE1 3.85Å; W24-F74 AromaticContact CZ2-CZ 3.93Å; W24-F74 HydrophobicContact CZ2-CZ 3.93Å; W24-F74 HydrophobicContact CZ3-CZ 4.34Å; W24-Q76 HydrophobicContact CH2-CB 3.86Å; W24-Q76 HydrophobicContact CZ2-CB 4.15Å; W24-V85 HydrophobicContact CH2-CG1 3.93Å; W24-V85 WeakPolarHBondContact CZ3-O 3.39Å
25L95.3Very high93.3Very high83 Ų8372 Ų7244%0.43538%0.379SS..EExtended strand (participates in β ladder)trans-102.9131.8176.2-57.4-179.9000110.2F14 Q15 D17 A27F14-L25 CarbonylContact C-O 3.55Å; F14-L25 VanDerWaalsContact CA-O 3.25Å; F14-L25 WeakPolarHBondContact CA-O 3.44Å; Q15-L25 PolarHBondContact N-O 2.84Å; Q15-L25 PolarHBondContact O-N 3.06Å; D17-L25 HydrophobicContact CB-CD1 3.85Å; D17-L25 HydrophobicContact CB-CG 3.98Å; L25-A27 PolarHBondContact O-N 2.77Å
26P96.1Very high93.4Very high94 Ų9469.2 Ų69.261%0.6137%0.367SS*.EExtended strand (participates in β ladder)trans-73.9115.7177.329.2-33.1000111F14F14-P26 HydrophobicContact CD1-CB 4.14Å; F14-P26 HydrophobicContact CE1-CB 4.05Å
27A94.6Very high93.5Very high35 Ų3569.9 Ų69.929%0.28937%0.369SS..SBendtrans-83.8-13.8174.800000112.8V13 Q15 L25 I56V13-A27 HydrophobicContact CB-CB 4.27Å; V13-A27 HydrophobicContact CG1-CB 3.96Å; V13-A27 PolarHBondContact O-N 3.49Å; Q15-A27 HydrophobicContact CG-CB 4.34Å; L25-A27 PolarHBondContact O-N 2.77Å; A27-I56 HydrophobicContact CB-CB 4.46Å; A27-I56 HydrophobicContact CB-CD1 4.41Å
28S94.5Very high93.7Very high11 Ų1172.8 Ų72.88%0.07738%0.378CS..  trans-136.5128.9176.763.70000111.8V13 H30V13-S28 PolarHBondContact N-OG 3.18Å; V13-S28 PolarHBondContact O-N 2.69Å; S28-H30 VanDerWaalsContact C-N 3.26Å; S28-H30 WeakPolarHBondContact CB-O 3.37Å; S28-H30 PolarHBondContact O-N 2.94Å; S28-H30 PolarHBondContact OG-O 2.75Å
29K91.3Very high94Very high196 Ų19668.5 Ų68.585%0.85235%0.35SS*.SBendtrans-67.6-22.4176.8-68.8-172.8176.6-1760114.5
30H94.3Very high94.2Very high142 Ų14267.8 Ų67.866%0.65734%0.344SS*.SBendtrans-139167.1179.6-52.3-58000108.7S28 V32S28-H30 VanDerWaalsContact C-N 3.26Å; S28-H30 WeakPolarHBondContact CB-O 3.37Å; S28-H30 PolarHBondContact O-N 2.94Å; S28-H30 PolarHBondContact OG-O 2.75Å; H30-V32 PolarHBondContact O-N 3.43Å
31A96.3Very high94.2Very high27 Ų2769.8 Ų69.822%0.22336%0.361CS..  trans-56.3132.3170.600000110.4R10 A11 H12R10-A31 PolarHBondContact NH2-O 3.48Å; A11-A31 WeakPolarHBondContact O-CA 2.85Å; H12-A31 PolarHBondContact CD2-N 3.41Å; H12-A31 VanDerWaalsContact CD2-N 3.26Å; H12-A31 PolarHBondContact NE2-N 2.7Å
32V97.6Very high94.3Very high20 Ų2071.8 Ų71.812%0.12137%0.366CS..EExtended strand (participates in β ladder)trans-116.8167.1176.7-71.60000109.7R10 A11 V13 H30 V34 S49 I56R10-V32 WeakPolarHBondContact CA-O 3.18Å; A11-V32 PolarHBondContact N-O 3.17Å; A11-V32 WeakPolarHBondContact O-CG2 3.33Å; A11-V32 PolarHBondContact O-N 2.81Å; V13-V32 HydrophobicContact CB-CG2 4.5Å; V13-V32 HydrophobicContact CG2-CG2 3.42Å; V13-V32 VanDerWaalsContact CG2-CG2 3.42Å; H30-V32 PolarHBondContact O-N 3.43Å; V32-V34 HydrophobicContact CG2-CG2 4.45Å; V32-S49 VanDerWaalsContact CG2-OG 3.31Å; V32-S49 WeakPolarHBondContact CG2-OG 3.03Å; V32-I56 HydrophobicContact CG2-CD1 4.16Å
33T97.6Very high94.5Very high63 Ų6363.9 Ų63.939%0.38734%0.34SS..EExtended strand (participates in β ladder)trans-80.5129.1173.9-50.50000109T9 R10 S49T9-T33 CarbonylContact O-C 3.6Å; T9-T33 WeakPolarHBondContact O-CA 3.42Å; R10-T33 WeakPolarHBondContact CD-OG1 3.49Å; R10-T33 VanDerWaalsContact NH1-N 3.19Å; R10-T33 PolarHBondContact NH1-OG1 3.33Å; T33-S49 WeakPolarHBondContact O-CB 2.88Å; T33-S49 PolarHBondContact O-OG 3.2Å
34V98.2Very high94.6Very high0 Ų061.5 Ų61.50%033%0.328CS..EExtended strand (participates in β ladder)trans-121.1126.1176.1-173.50000107.1T9 A11 V13 V32 I47 I57 L88 F99T9-V34 PolarHBondContact N-O 3.33Å; T9-V34 PolarHBondContact O-N 2.82Å; A11-V34 HydrophobicContact CB-CG2 4.33Å; V13-V34 HydrophobicContact CG2-CG2 4.05Å; V32-V34 HydrophobicContact CG2-CG2 4.45Å; V34-I47 HydrophobicContact CG1-CG2 3.67Å; V34-I57 HydrophobicContact CG1-CD1 4.04Å; V34-I57 HydrophobicContact CG2-CD1 4.32Å; V34-L88 HydrophobicContact CG1-CD1 4.15Å; V34-L88 HydrophobicContact CG2-CD2 3.95Å; V34-F99 HydrophobicContact CG1-CE2 4.06Å; V34-F99 HydrophobicContact CG1-CZ 4.49Å
35S98.1Very high94.7Very high8 Ų859.3 Ų59.36%0.05632%0.32CS..EExtended strand (participates in β ladder)trans-138.4147.7-169.3-56.80000112.4F7 S8 I47 I48F7-S35 CarbonylContact O-C 3.57Å; F7-S35 WeakPolarHBondContact O-CA 3.4Å; F7-S35 WeakPolarHBondContact O-CB 3.5Å; S8-S35 VanDerWaalsContact CB-OG 3.31Å; S8-S35 WeakPolarHBondContact CB-OG 3.37Å; S8-S35 WeakPolarHBondContact OG-CB 3.18Å; S8-S35 PolarHBondContact OG-OG 2.87Å; S35-I47 WeakPolarHBondContact O-CA 2.88Å; S35-I48 PolarHBondContact N-O 3.33Å; S35-I48 PolarHBondContact O-N 2.82Å
36F98Very high94.7Very high0 Ų056.8 Ų56.80%031%0.305CS..EExtended strand (participates in β ladder)trans-90.8133.1169.2-63.8-95.2000109.4P5 I6 F7 R46 I47 I61 F99 Q102 F103 V106P5-F36 CarbonylContact C-O 3.59Å; P5-F36 WeakPolarHBondContact CA-O 3.34Å; I6-F36 HydrophobicContact CB-CB 4.42Å; I6-F36 PolarHBondContact N-O 3.42Å; F7-F36 HydrophobicContact CB-CD2 4.09Å; F7-F36 AromaticContact CD1-CD2 3.82Å; F7-F36 HydrophobicContact CD1-CD2 3.82Å; F7-F36 AromaticContact CD1-CE2 3.95Å; F7-F36 HydrophobicContact CD1-CE2 3.95Å; F7-F36 HydrophobicContact CG-CD2 4.41Å; F7-F36 PolarHBondContact O-N 3.09Å; F36-R46 CarbonylContact C-O 3.59Å; F36-R46 WeakPolarHBondContact CA-O 3.3Å; F36-I47 HydrophobicContact CD1-CG1 3.89Å; F36-I47 HydrophobicContact CE1-CD1 3.88Å; F36-I47 HydrophobicContact CE1-CG1 3.74Å; F36-I47 HydrophobicContact CZ-CD1 4.42Å; F36-I61 HydrophobicContact CD1-CD1 3.59Å; F36-I61 HydrophobicContact CE1-CD1 3.71Å; F36-F99 HydrophobicContact CD2-CE2 4.43Å; F36-F99 AromaticContact CE2-CD2 3.68Å; F36-F99 HydrophobicContact CE2-CD2 3.68Å; F36-F99 AromaticContact CE2-CE2 3.44Å; F36-F99 HydrophobicContact CE2-CE2 3.44Å; F36-F99 VanDerWaalsContact CE2-CE2 3.44Å; F36-F99 HydrophobicContact CE2-CG 4.48Å; F36-F99 HydrophobicContact CE2-CZ 4.06Å; F36-F99 HydrophobicContact CZ-CD2 4.07Å; F36-F99 HydrophobicContact CZ-CE1 4.26Å; F36-F99 AromaticContact CZ-CE2 3.62Å; F36-F99 HydrophobicContact CZ-CE2 3.62Å; F36-F99 AromaticContact CZ-CZ 3.72Å; F36-F99 HydrophobicContact CZ-CZ 3.72Å; F36-Q102 HydrophobicContact CD2-CB 4.4Å; F36-Q102 HydrophobicContact CE2-CB 3.88Å; F36-Q102 HydrophobicContact CZ-CB 4.3Å; F36-F103 HydrophobicContact CE1-CB 4.43Å; F36-F103 HydrophobicContact CE1-CD2 4.24Å; F36-F103 HydrophobicContact CZ-CB 4.13Å; F36-F103 HydrophobicContact CZ-CD2 4.28Å; F36-V106 HydrophobicContact CB-CG2 4.35Å; F36-V106 HydrophobicContact CD1-CB 4.05Å; F36-V106 HydrophobicContact CD1-CG1 3.96Å; F36-V106 HydrophobicContact CD1-CG2 3.98Å; F36-V106 HydrophobicContact CE1-CB 4.38Å; F36-V106 HydrophobicContact CG-CG2 4.21Å
37F96.9Very high94.8Very high35 Ų3552.3 Ų52.315%0.15428%0.276CS..EExtended strand (participates in β ladder)trans-126.4149.5176.2-69.4-92.3000110.2E3 P5 Y45 R46 I48E3-F37 HydrophobicContact CB-CD1 4.01Å; E3-F37 WeakPolarHBondContact O-CE1 3.41Å; P5-F37 HydrophobicContact CB-CD1 4.22Å; P5-F37 HydrophobicContact CB-CE1 3.78Å; P5-F37 HydrophobicContact CB-CE2 4.34Å; P5-F37 HydrophobicContact CB-CZ 3.85Å; P5-F37 HydrophobicContact CG-CE1 4.33Å; P5-F37 HydrophobicContact CG-CZ 4.46Å; F37-Y45 CarbonylContact O-C 3.57Å; F37-Y45 WeakPolarHBondContact O-CA 3.15Å; F37-R46 PolarHBondContact N-O 2.84Å; F37-R46 PolarHBondContact O-N 3.43Å; F37-I48 HydrophobicContact CB-CD1 4.29Å; F37-I48 HydrophobicContact CD2-CB 3.79Å; F37-I48 HydrophobicContact CD2-CD1 3.7Å; F37-I48 HydrophobicContact CD2-CG1 3.85Å; F37-I48 HydrophobicContact CE2-CB 3.83Å; F37-I48 HydrophobicContact CE2-CD1 4.25Å; F37-I48 HydrophobicContact CE2-CG1 4.36Å; F37-I48 HydrophobicContact CE2-CG2 4.48Å; F37-I48 HydrophobicContact CG-CD1 4.14Å
38Y95.3Very high95Very high87 Ų8752 Ų5234%0.34127%0.269SS..EExtended strand (participates in β ladder)trans-104.1118166.6172.4-112.5000109.3A40 N43 Y45Y38-A40 HydrophobicContact CD1-CB 4.21Å; Y38-A40 HydrophobicContact CE1-CB 3.71Å; Y38-A40 PolarHBondContact O-N 2.8Å; Y38-N43 WeakPolarHBondContact CE2-OD1 3.29Å; Y38-N43 PolarHBondContact OH-OD1 3.47Å; Y38-Y45 HydrophobicContact CD2-CD1 4.01Å; Y38-Y45 HydrophobicContact CD2-CD2 4.18Å; Y38-Y45 AromaticContact CD2-CE1 3.64Å; Y38-Y45 HydrophobicContact CD2-CE1 3.64Å; Y38-Y45 AromaticContact CD2-CE2 3.81Å; Y38-Y45 HydrophobicContact CD2-CE2 3.81Å; Y38-Y45 HydrophobicContact CD2-CG 4.28Å; Y38-Y45 AromaticContact CD2-CZ 3.52Å; Y38-Y45 HydrophobicContact CE2-CE2 4.16Å; Y38-Y45 HydrophobicContact CG-CD1 4.42Å; Y38-Y45 AromaticContact CG-CE1 3.99Å; Y38-Y45 HydrophobicContact CG-CE1 3.99Å
39D93.1Very high95.1Very high3 Ų351.5 Ų51.52%0.01627%0.266CS..EExtended strand (participates in β ladder)trans-88.697.2174.7-177.1-33000108.9S41 R42 N43 V44 R46D39-S41 PolarHBondContact O-N 3.47Å; D39-S41 WeakPolarHBondContact OD1-CA 3.14Å; D39-S41 WeakPolarHBondContact OD1-CB 3.45Å; D39-S41 PolarHBondContact OD1-N 3.33Å; D39-S41 PolarHBondContact OD1-OG 2.91Å; D39-R42 PolarHBondContact O-N 3.35Å; D39-R42 PolarHBondContact OD1-N 2.86Å; D39-R42 IonicContact OD1-NE 3.42Å; D39-R42 IonicContact OD2-CZ 3.72Å; D39-R42 IonicContact OD2-NE 3.16Å; D39-R42 PolarHBondContact OD2-NE 2.83Å; D39-R42 IonicContact OD2-NH2 3.66Å; D39-R42 PolarHBondContact OD2-NH2 2.81Å; D39-N43 WeakPolarHBondContact O-CA 3.33Å; D39-N43 PolarHBondContact O-N 3.37Å; D39-V44 HydrophobicContact CB-CG2 4.08Å; D39-V44 WeakPolarHBondContact CB-O 2.98Å; D39-V44 PolarHBondContact N-O 2.83Å; D39-V44 PolarHBondContact O-N 2.87Å; D39-R46 IonicContact OD2-CZ 2.72Å; D39-R46 IonicContact OD2-NE 3.95Å; D39-R46 IonicContact OD2-NH2 3.72Å; D39-R46 PolarHBondContact OD2-NH2 3.19Å
40A89.9Confident95.2Very high73 Ų7345.9 Ų45.960%0.60325%0.248SC*.THydrogen-bonded Turntrans-66.4-20.9-179.600000113.3Y38Y38-A40 HydrophobicContact CD1-CB 4.21Å; Y38-A40 HydrophobicContact CE1-CB 3.71Å; Y38-A40 PolarHBondContact O-N 2.8Å
41S89Confident95Very high105 Ų10540.2 Ų40.273%0.73423%0.228SC*.THydrogen-bonded Turntrans-76.1-30.5179.176.80000112.5D39D39-S41 PolarHBondContact O-N 3.47Å; D39-S41 WeakPolarHBondContact OD1-CA 3.14Å; D39-S41 WeakPolarHBondContact OD1-CB 3.45Å; D39-S41 PolarHBondContact OD1-N 3.33Å; D39-S41 PolarHBondContact OD1-OG 2.91Å
42R89.8Confident94.4Very high133 Ų13342.6 Ų42.650%0.50226%0.255SS..THydrogen-bonded Turntrans-111.7-1.7179.8-68.4-177.7-68.2-166.8-2.2114D39 V44D39-R42 PolarHBondContact O-N 3.35Å; D39-R42 PolarHBondContact OD1-N 2.86Å; D39-R42 IonicContact OD1-NE 3.42Å; D39-R42 IonicContact OD2-CZ 3.72Å; D39-R42 IonicContact OD2-NE 3.16Å; D39-R42 PolarHBondContact OD2-NE 2.83Å; D39-R42 IonicContact OD2-NH2 3.66Å; D39-R42 PolarHBondContact OD2-NH2 2.81Å; R42-V44 VanDerWaalsContact C-N 3.32Å; R42-V44 HydrophobicContact CB-CG2 3.84Å; R42-V44 PolarHBondContact O-N 2.85Å
43N91.6Very high93.8Very high48 Ų4849 Ų4926%0.25729%0.294SS..THydrogen-bonded Turntrans50.946.2-174.5-168.422.5000113Y38 D39 A113 S117Y38-N43 WeakPolarHBondContact CE2-OD1 3.29Å; Y38-N43 PolarHBondContact OH-OD1 3.47Å; D39-N43 WeakPolarHBondContact O-CA 3.33Å; D39-N43 PolarHBondContact O-N 3.37Å; N43-A113 PolarHBondContact ND2-O 2.8Å; N43-A113 VanDerWaalsContact ND2-O 3.13Å; N43-S117 PolarHBondContact ND2-OG 3.46Å
44V94.3Very high93.5Very high42 Ų4253.2 Ų53.226%0.25531%0.307SS..EExtended strand (participates in β ladder)trans-133.9148.8-179.3-67.70000112.4D39 R42 R46 T60D39-V44 HydrophobicContact CB-CG2 4.08Å; D39-V44 WeakPolarHBondContact CB-O 2.98Å; D39-V44 PolarHBondContact N-O 2.83Å; D39-V44 PolarHBondContact O-N 2.87Å; R42-V44 VanDerWaalsContact C-N 3.32Å; R42-V44 HydrophobicContact CB-CG2 3.84Å; R42-V44 PolarHBondContact O-N 2.85Å; V44-R46 HydrophobicContact CG2-CG 4.36Å; V44-T60 HydrophobicContact CB-CG2 3.96Å; V44-T60 HydrophobicContact CG1-CG2 4.24Å; V44-T60 HydrophobicContact CG2-CG2 4.08Å
45Y96.4Very high93.2Very high41 Ų4155.9 Ų55.916%0.16133%0.329CS..EExtended strand (participates in β ladder)trans-92.7141.6172.4-64-93000110.8I6 F37 Y38 I61 V106 A109 A110 A113I6-Y45 HydrophobicContact CD1-CD1 3.63Å; I6-Y45 HydrophobicContact CD1-CE1 3.7Å; F37-Y45 CarbonylContact O-C 3.57Å; F37-Y45 WeakPolarHBondContact O-CA 3.15Å; Y38-Y45 HydrophobicContact CD2-CD1 4.01Å; Y38-Y45 HydrophobicContact CD2-CD2 4.18Å; Y38-Y45 AromaticContact CD2-CE1 3.64Å; Y38-Y45 HydrophobicContact CD2-CE1 3.64Å; Y38-Y45 AromaticContact CD2-CE2 3.81Å; Y38-Y45 HydrophobicContact CD2-CE2 3.81Å; Y38-Y45 HydrophobicContact CD2-CG 4.28Å; Y38-Y45 AromaticContact CD2-CZ 3.52Å; Y38-Y45 HydrophobicContact CE2-CE2 4.16Å; Y38-Y45 HydrophobicContact CG-CD1 4.42Å; Y38-Y45 AromaticContact CG-CE1 3.99Å; Y38-Y45 HydrophobicContact CG-CE1 3.99Å; Y45-I61 PolarHBondContact O-N 2.89Å; Y45-V106 HydrophobicContact CD1-CG1 3.59Å; Y45-V106 HydrophobicContact CG-CG1 3.59Å; Y45-A109 HydrophobicContact CD2-CB 4.47Å; Y45-A109 HydrophobicContact CE1-CB 4.28Å; Y45-A109 HydrophobicContact CE2-CB 3.8Å; Y45-A110 HydrophobicContact CD2-CB 3.8Å; Y45-A113 HydrophobicContact CE2-CB 4.12Å
46R96.9Very high93.1Very high29 Ų2956.5 Ų56.511%0.10933%0.332CS..EExtended strand (participates in β ladder)trans-133.9140.3-174-61.6-174.5-70.4157.3-10.4111.9E3 F36 F37 D39 V44 I48 S59E3-R46 IonicContact OE1-NH2 2.74Å; E3-R46 PolarHBondContact OE1-NH2 2.78Å; E3-R46 IonicContact OE2-CZ 3.65Å; E3-R46 IonicContact OE2-NH2 2.88Å; E3-R46 PolarHBondContact OE2-NH2 3.23Å; F36-R46 CarbonylContact C-O 3.59Å; F36-R46 WeakPolarHBondContact CA-O 3.3Å; F37-R46 PolarHBondContact N-O 2.84Å; F37-R46 PolarHBondContact O-N 3.43Å; D39-R46 IonicContact OD2-CZ 2.72Å; D39-R46 IonicContact OD2-NE 3.95Å; D39-R46 IonicContact OD2-NH2 3.72Å; D39-R46 PolarHBondContact OD2-NH2 3.19Å; V44-R46 HydrophobicContact CG2-CG 4.36Å; R46-I48 HydrophobicContact CB-CD1 4.19Å; R46-I48 HydrophobicContact CB-CG1 3.99Å; R46-S59 CarbonylContact C-O 3.51Å; R46-S59 VanDerWaalsContact CA-O 3.23Å; R46-S59 WeakPolarHBondContact CA-O 3.19Å
47I97.9Very high93.1Very high0 Ų056.5 Ų56.50%033%0.332CS..EExtended strand (participates in β ladder)trans-94.9118.8165.6-51.7175.8000107.1V34 S35 F36 I57 N58 S59 I61 W77 F99 F103V34-I47 HydrophobicContact CG1-CG2 3.67Å; S35-I47 WeakPolarHBondContact O-CA 2.88Å; F36-I47 HydrophobicContact CD1-CG1 3.89Å; F36-I47 HydrophobicContact CE1-CD1 3.88Å; F36-I47 HydrophobicContact CE1-CG1 3.74Å; F36-I47 HydrophobicContact CZ-CD1 4.42Å; I47-I57 HydrophobicContact CB-CG2 4.34Å; I47-I57 HydrophobicContact CG2-CG2 4.12Å; I47-I57 WeakPolarHBondContact O-CG2 3.29Å; I47-N58 CarbonylContact O-C 3.57Å; I47-N58 WeakPolarHBondContact O-CA 3.42Å; I47-S59 PolarHBondContact N-O 2.88Å; I47-S59 PolarHBondContact O-N 2.71Å; I47-I61 HydrophobicContact CD1-CD1 4.15Å; I47-I61 HydrophobicContact CD1-CG1 4.15Å; I47-I61 HydrophobicContact CG1-CD1 3.72Å; I47-I61 HydrophobicContact CG1-CG1 3.92Å; I47-W77 HydrophobicContact CB-CZ2 4.21Å; I47-W77 HydrophobicContact CD1-CD2 4.43Å; I47-W77 HydrophobicContact CD1-CH2 4.09Å; I47-W77 HydrophobicContact CD1-CZ2 3.62Å; I47-W77 HydrophobicContact CG1-CZ2 4.49Å; I47-W77 HydrophobicContact CG2-CH2 4.06Å; I47-W77 HydrophobicContact CG2-CZ2 4.07Å; I47-F99 HydrophobicContact CD1-CZ 4.28Å; I47-F99 HydrophobicContact CG2-CZ 4.42Å; I47-F103 HydrophobicContact CD1-CD2 3.78Å; I47-F103 HydrophobicContact CD1-CE2 3.49Å; I47-F103 VanDerWaalsContact CD1-CE2 3.49Å
48I97.3Very high93Very high28 Ų2859 Ų5914%0.14435%0.347CS..EExtended strand (participates in β ladder)trans-123.3137.6-177.4-53-179.3000109.5S35 F37 R46 I57S35-I48 PolarHBondContact N-O 3.33Å; S35-I48 PolarHBondContact O-N 2.82Å; F37-I48 HydrophobicContact CB-CD1 4.29Å; F37-I48 HydrophobicContact CD2-CB 3.79Å; F37-I48 HydrophobicContact CD2-CD1 3.7Å; F37-I48 HydrophobicContact CD2-CG1 3.85Å; F37-I48 HydrophobicContact CE2-CB 3.83Å; F37-I48 HydrophobicContact CE2-CD1 4.25Å; F37-I48 HydrophobicContact CE2-CG1 4.36Å; F37-I48 HydrophobicContact CE2-CG2 4.48Å; F37-I48 HydrophobicContact CG-CD1 4.14Å; R46-I48 HydrophobicContact CB-CD1 4.19Å; R46-I48 HydrophobicContact CB-CG1 3.99Å; I48-I57 WeakPolarHBondContact CA-O 3.31Å
49S97.2Very high93.1Very high2 Ų254.9 Ų54.91%0.01433%0.33CS..EExtended strand (participates in β ladder)trans-147.5139.2170.9-171.20000110.1V32 T33 I56 I57V32-S49 VanDerWaalsContact CG2-OG 3.31Å; V32-S49 WeakPolarHBondContact CG2-OG 3.03Å; T33-S49 WeakPolarHBondContact O-CB 2.88Å; T33-S49 PolarHBondContact O-OG 3.2Å; S49-I56 PolarHBondContact O-N 2.79Å; S49-I57 PolarHBondContact N-O 2.87Å; S49-I57 PolarHBondContact O-N 3.25Å; S49-I57 VanDerWaalsContact O-N 3.15Å
50V94.3Very high93.3Very high77 Ų7755.5 Ų55.547%0.46734%0.335SS..EExtended strand (participates in β ladder)trans-119.5124-175.1-174.70000109.4G52 K54V50-G52 WeakPolarHBondContact CG1-O 3.28Å; V50-K54 CarbonylContact C-O 3.54Å; V50-K54 WeakPolarHBondContact CA-O 3.17Å; V50-K54 WeakPolarHBondContact CG1-O 3.47Å
51G88.6Confident93.6Very high23 Ų2352.3 Ų52.324%0.23731%0.307CS..EExtended strand (participates in β ladder)trans-103.4105.5173.200000109.9T53 K54G51-T53 PolarHBondContact O-N 2.97Å; G51-K54 PolarHBondContact N-O 2.64Å; G51-K54 PolarHBondContact O-N 2.99Å; G51-K54 VanDerWaalsContact O-N 3.14Å
52G85.1Confident93.9Very high78 Ų7850.1 Ų50.180%0.80429%0.29SS*.THydrogen-bonded Turntrans64.3-115.4-17200000110.6V50V50-G52 WeakPolarHBondContact CG1-O 3.28Å
53T84.5Confident93.9Very high153 Ų15345 Ų4594%0.93927%0.274SS*.THydrogen-bonded Turntrans-98-4.8176.751.30000114.1G51G51-T53 PolarHBondContact O-N 2.97Å
54K90.6Very high93.8Very high153 Ų15349.9 Ų49.967%0.66530%0.3SS*.EExtended strand (participates in β ladder)trans-108.2133.4-173.6-173.9175.6179179.70111.7V50 G51 I56V50-K54 CarbonylContact C-O 3.54Å; V50-K54 WeakPolarHBondContact CA-O 3.17Å; V50-K54 WeakPolarHBondContact CG1-O 3.47Å; G51-K54 PolarHBondContact N-O 2.64Å; G51-K54 PolarHBondContact O-N 2.99Å; G51-K54 VanDerWaalsContact O-N 3.14Å; K54-I56 PolarHBondContact O-N 2.69Å
55A92.6Very high93.9Very high55 Ų5548.6 Ų48.646%0.45529%0.291SS..EExtended strand (participates in β ladder)trans-65.6121.4166.500000109.9
56I95.9Very high93.9Very high22 Ų2251.2 Ų51.211%0.11331%0.311CS..EExtended strand (participates in β ladder)trans-109-13.1179.262.4171.7000113V13 Q15 A27 V32 S49 K54V13-I56 HydrophobicContact CB-CD1 4.07Å; V13-I56 HydrophobicContact CG1-CD1 4.44Å; V13-I56 HydrophobicContact CG2-CD1 4.13Å; Q15-I56 PolarHBondContact NE2-O 2.69Å; A27-I56 HydrophobicContact CB-CB 4.46Å; A27-I56 HydrophobicContact CB-CD1 4.41Å; V32-I56 HydrophobicContact CG2-CD1 4.16Å; S49-I56 PolarHBondContact O-N 2.79Å; K54-I56 PolarHBondContact O-N 2.69Å
57I97.5Very high93.9Very high0 Ų051 Ų510%031%0.311CS..EExtended strand (participates in β ladder)trans-133.2134.6160.3-46.7174.4000107.4V13 V34 I47 I48 S49 W77 Y86 L88V13-I57 HydrophobicContact CB-CD1 4.41Å; V13-I57 HydrophobicContact CG1-CD1 3.62Å; V13-I57 HydrophobicContact CG1-CG1 3.65Å; V13-I57 HydrophobicContact CG2-CD1 3.81Å; V13-I57 HydrophobicContact CG2-CG1 4.38Å; V34-I57 HydrophobicContact CG1-CD1 4.04Å; V34-I57 HydrophobicContact CG2-CD1 4.32Å; I47-I57 HydrophobicContact CB-CG2 4.34Å; I47-I57 HydrophobicContact CG2-CG2 4.12Å; I47-I57 WeakPolarHBondContact O-CG2 3.29Å; I48-I57 WeakPolarHBondContact CA-O 3.31Å; S49-I57 PolarHBondContact N-O 2.87Å; S49-I57 PolarHBondContact O-N 3.25Å; S49-I57 VanDerWaalsContact O-N 3.15Å; I57-W77 HydrophobicContact CD1-CH2 4.14Å; I57-W77 HydrophobicContact CG2-CH2 4.27Å; I57-W77 HydrophobicContact CG2-CZ2 3.89Å; I57-Y86 HydrophobicContact CB-CE1 4.23Å; I57-Y86 HydrophobicContact CG1-CD1 3.99Å; I57-Y86 HydrophobicContact CG1-CE1 4.06Å; I57-Y86 HydrophobicContact CG2-CD1 4.11Å; I57-Y86 HydrophobicContact CG2-CD2 4.42Å; I57-Y86 HydrophobicContact CG2-CE1 3.96Å; I57-Y86 HydrophobicContact CG2-CE2 4.26Å; I57-Y86 HydrophobicContact CG2-CG 4.35Å; I57-L88 HydrophobicContact CD1-CD2 4.01Å
58N96.3Very high93.9Very high87 Ų8754.2 Ų54.247%0.46533%0.331SS..EExtended strand (participates in β ladder)trans-14955.9169.6-175.621.1000108.1I47I47-N58 CarbonylContact O-C 3.57Å; I47-N58 WeakPolarHBondContact O-CA 3.42Å
59S97.4Very high94Very high0 Ų057 Ų570%034%0.342CS..EExtended strand (participates in β ladder)trans-85.7132.7-171.4-176.70000110R46 I47 W77 D79R46-S59 CarbonylContact C-O 3.51Å; R46-S59 VanDerWaalsContact CA-O 3.23Å; R46-S59 WeakPolarHBondContact CA-O 3.19Å; I47-S59 PolarHBondContact N-O 2.88Å; I47-S59 PolarHBondContact O-N 2.71Å; S59-W77 PolarHBondContact OG-NE1 2.93Å; S59-D79 WeakPolarHBondContact CA-OD2 3.14Å; S59-D79 WeakPolarHBondContact CB-OD2 3.21Å; S59-D79 PolarHBondContact OG-OD2 2.9Å
60T96.4Very high93.9Very high17 Ų1760.7 Ų60.710%0.10436%0.364CS..EExtended strand (participates in β ladder)trans-95.8117.4178.7-47.50000109V44 T62 M65 R81V44-T60 HydrophobicContact CB-CG2 3.96Å; V44-T60 HydrophobicContact CG1-CG2 4.24Å; V44-T60 HydrophobicContact CG2-CG2 4.08Å; T60-T62 PolarHBondContact O-N 2.93Å; T60-M65 WeakPolarHBondContact O-CE 3.38Å; T60-R81 PolarHBondContact OG1-NH1 3.3Å
61I96.6Very high94Very high6 Ų660.7 Ų60.73%0.03137%0.368CS..PPolyproline II helixtrans-70.5132.5-176.1-63.6167.7000109.5F36 Y45 I47 V106 K107 A110F36-I61 HydrophobicContact CD1-CD1 3.59Å; F36-I61 HydrophobicContact CE1-CD1 3.71Å; Y45-I61 PolarHBondContact O-N 2.89Å; I47-I61 HydrophobicContact CD1-CD1 4.15Å; I47-I61 HydrophobicContact CD1-CG1 4.15Å; I47-I61 HydrophobicContact CG1-CD1 3.72Å; I47-I61 HydrophobicContact CG1-CG1 3.92Å; I61-V106 HydrophobicContact CD1-CB 4.22Å; I61-V106 HydrophobicContact CD1-CG1 3.46Å; I61-V106 VanDerWaalsContact CD1-CG1 3.46Å; I61-K107 HydrophobicContact CG2-CB 4.15Å; I61-K107 HydrophobicContact CG2-CG 4.44Å; I61-A110 HydrophobicContact CG2-CB 4.16Å
62T93.8Very high94.3Very high59 Ų5965.5 Ų65.536%0.36238%0.384SS..  trans-126.1155.5175.467.40000110.5T60 N64 M65T60-T62 PolarHBondContact O-N 2.93Å; T62-N64 PolarHBondContact O-N 2.67Å; T62-M65 HydrophobicContact CG2-CE 4.36Å; T62-M65 WeakPolarHBondContact O-CB 3.33Å; T62-M65 PolarHBondContact O-N 3.36Å; T62-M65 WeakPolarHBondContact OG1-CG 3.49Å
63P90.3Very high95Very high26 Ų2666.3 Ų66.317%0.16937%0.366CS..THydrogen-bonded Turntrans-58.2-24.5-173.3-28.737.6000115.4K107 R111P63-K107 WeakPolarHBondContact O-CD 3.36Å; P63-K107 PolarHBondContact O-NZ 3.02Å; P63-K107 VanDerWaalsContact O-NZ 3.16Å; P63-R111 HydrophobicContact CB-CB 4.17Å; P63-R111 HydrophobicContact CB-CG 4.34Å; P63-R111 HydrophobicContact CG-CB 4Å; P63-R111 HydrophobicContact CG-CG 4.3Å
64N90.2Very high95.6Very high150 Ų15060.9 Ų60.980%0.80233%0.329SS*.THydrogen-bonded Turntrans-91.6-6.6-177.7-61.47.7000113.1T62T62-N64 PolarHBondContact O-N 2.67Å
65M95.4Very high96Very high15 Ų1553.6 Ų53.67%0.07430%0.297CS..  trans-70.7137.7175.2-77.3176.5178.900111T60 T62 D79 F103 K107T60-M65 WeakPolarHBondContact O-CE 3.38Å; T62-M65 HydrophobicContact CG2-CE 4.36Å; T62-M65 WeakPolarHBondContact O-CB 3.33Å; T62-M65 PolarHBondContact O-N 3.36Å; T62-M65 WeakPolarHBondContact OG1-CG 3.49Å; M65-D79 HydrophobicContact CE-CB 4.15Å; M65-F103 HydrophobicContact CB-CE1 4.15Å; M65-F103 HydrophobicContact CB-CZ 4.03Å; M65-K107 WeakPolarHBondContact O-CD 3.21Å
66T96.4Very high96.3Very high95 Ų9553.2 Ų53.258%0.58329%0.287SS*.  trans-122.7131.6175.4-63.10000109.5W77T66-W77 WeakPolarHBondContact O-CB 3.49Å
67F98.4Very high96.4Very high24 Ų2452.3 Ų52.311%0.10528%0.282CS..  trans-92.5110167.8-177.1-97.7000109.7K69 G75 Q76 W77 F90 L96 F99 A100 F103F67-K69 HydrophobicContact CE1-CG 4.28Å; F67-G75 VanDerWaalsContact CE2-C 3.45Å; F67-Q76 CarbonylContact C-O 3.56Å; F67-Q76 WeakPolarHBondContact CA-O 3.38Å; F67-W77 HydrophobicContact CD2-CB 4.47Å; F67-W77 AromaticContact CD2-CE3 3.79Å; F67-W77 HydrophobicContact CD2-CE3 3.79Å; F67-W77 HydrophobicContact CD2-CZ3 4.47Å; F67-W77 AromaticContact CE2-CE3 3.97Å; F67-W77 HydrophobicContact CE2-CE3 3.97Å; F67-W77 HydrophobicContact CE2-CZ3 4.29Å; F67-F90 HydrophobicContact CZ-CE2 4.33Å; F67-L96 HydrophobicContact CE1-CD1 3.71Å; F67-L96 HydrophobicContact CZ-CD1 3.74Å; F67-F99 HydrophobicContact CD1-CD1 4.45Å; F67-F99 HydrophobicContact CD2-CD1 4.15Å; F67-F99 AromaticContact CD2-CE1 3.79Å; F67-F99 HydrophobicContact CD2-CE1 3.79Å; F67-F99 HydrophobicContact CE1-CD1 4.04Å; F67-F99 AromaticContact CE2-CD1 3.72Å; F67-F99 HydrophobicContact CE2-CD1 3.72Å; F67-F99 AromaticContact CE2-CE1 3.54Å; F67-F99 HydrophobicContact CE2-CE1 3.54Å; F67-F99 HydrophobicContact CG-CD1 4.5Å; F67-F99 HydrophobicContact CG-CE1 4.44Å; F67-F99 AromaticContact CZ-CD1 3.65Å; F67-F99 HydrophobicContact CZ-CD1 3.65Å; F67-F99 AromaticContact CZ-CE1 3.99Å; F67-F99 HydrophobicContact CZ-CE1 3.99Å; F67-A100 HydrophobicContact CD1-CB 3.66Å; F67-A100 HydrophobicContact CE1-CB 3.88Å; F67-F103 HydrophobicContact CB-CB 4.13Å; F67-F103 HydrophobicContact CB-CD1 3.69Å; F67-F103 HydrophobicContact CB-CD2 3.74Å; F67-F103 HydrophobicContact CB-CE1 3.96Å; F67-F103 HydrophobicContact CB-CE2 3.98Å; F67-F103 HydrophobicContact CB-CG 3.58Å; F67-F103 HydrophobicContact CB-CZ 4.1Å; F67-F103 HydrophobicContact CD2-CD2 4.19Å; F67-F103 HydrophobicContact CD2-CE2 4.37Å; F67-F103 HydrophobicContact CG-CD2 4.2Å; F67-F103 HydrophobicContact CG-CG 4.33Å
68T97.9Very high96.3Very high69 Ų6954.9 Ų54.942%0.42330%0.303SS..EExtended strand (participates in β ladder)trans-100.2123.6-177.6-56.20000109.7T70 G75 Q76T68-T70 HydrophobicContact CG2-CG2 3.99Å; T68-G75 CarbonylContact O-C 3.53Å; T68-G75 WeakPolarHBondContact O-CA 3.32Å; T68-Q76 PolarHBondContact N-O 3.44Å; T68-Q76 PolarHBondContact O-N 2.92Å
69K98.3Very high96.3Very high87 Ų8751 Ų5138%0.37828%0.282SS..EExtended strand (participates in β ladder)trans-77.1125.6169.1-60177.5-174.4166.20108.4F67 L96F67-K69 HydrophobicContact CE1-CG 4.28Å; K69-L96 HydrophobicContact CB-CD2 4.28Å; K69-L96 HydrophobicContact CD-CD2 4.03Å; K69-L96 HydrophobicContact CD-CG 4.13Å; K69-L96 HydrophobicContact CG-CD1 4.21Å; K69-L96 HydrophobicContact CG-CD2 3.99Å; K69-L96 HydrophobicContact CG-CG 4.06Å
70T96.3Very high96.1Very high78 Ų7856.3 Ų56.348%0.47932%0.319SS..EExtended strand (participates in β ladder)trans-120.5-3.6-179.748.60000113.1T68 F74 Q76T68-T70 HydrophobicContact CG2-CG2 3.99Å; T70-F74 PolarHBondContact N-O 2.84Å; T70-F74 WeakPolarHBondContact OG1-CD1 3.4Å; T70-Q76 HydrophobicContact CG2-CG 4.26Å; T70-Q76 VanDerWaalsContact CG2-OE1 3.31Å; T70-Q76 PolarHBondContact OG1-OE1 2.87Å
71S96.3Very high95.9Very high78 Ų7864.6 Ų64.655%0.54535%0.349SS..EExtended strand (participates in β ladder)trans-154.3170.1163.1-169.20000110.2K73 F74 L96S71-K73 PolarHBondContact O-N 2.95Å; S71-F74 PolarHBondContact N-O 3.47Å; S71-F74 VanDerWaalsContact N-O 3.08Å; S71-F74 PolarHBondContact O-N 2.89Å; S71-F74 VanDerWaalsContact O-O 3.04Å; S71-L96 VanDerWaalsContact O-CD2 3.26Å; S71-L96 WeakPolarHBondContact O-CD2 3.24Å
72Q95Very high95.6Very high123 Ų12366.6 Ų66.658%0.57537%0.366SS*.THydrogen-bonded Turntrans-51.3-30.4-179.4-167.9-172.318.900113.7E93 L96Q72-E93 HydrophobicContact CG-CB 4.12Å; Q72-E93 VanDerWaalsContact CG-CD 3.48Å; Q72-E93 HydrophobicContact CG-CG 4.07Å; Q72-E93 VanDerWaalsContact CG-OE2 3.22Å; Q72-E93 WeakPolarHBondContact CG-OE2 3.46Å; Q72-E93 PolarHBondContact NE2-OE2 3.36Å; Q72-L96 VanDerWaalsContact O-CD2 3.28Å; Q72-L96 WeakPolarHBondContact O-CD2 3.44Å
73K98.1Very high95.6Very high95 Ų9569.5 Ų69.541%0.41338%0.379SS..THydrogen-bonded Turntrans-129.917.4-179.2-51.8-163.5-58.1-176.90113.6S71 G89 F90 S91S71-K73 PolarHBondContact O-N 2.95Å; K73-G89 WeakPolarHBondContact O-CA 3.2Å; K73-F90 PolarHBondContact O-N 3.42Å; K73-S91 WeakPolarHBondContact CD-O 3.48Å; K73-S91 PolarHBondContact NZ-O 2.94Å
74F98.5Very high95.9Very high39 Ų3969 Ų6917%0.17138%0.376CS..EExtended strand (participates in β ladder)trans-135.7135.7-179.9-170.2-84.5000112F14 W24 T70 S71 Q76 L88F14-F74 AromaticContact CD2-CE2 3.71Å; F14-F74 HydrophobicContact CD2-CE2 3.71Å; F14-F74 HydrophobicContact CE2-CE2 4.17Å; F14-F74 HydrophobicContact CG-CE2 4.25Å; W24-F74 HydrophobicContact CD2-CZ 4.13Å; W24-F74 AromaticContact CE2-CZ 3.92Å; W24-F74 HydrophobicContact CE3-CZ 4.34Å; W24-F74 HydrophobicContact CH2-CE1 4.29Å; W24-F74 HydrophobicContact CH2-CZ 4.14Å; W24-F74 AromaticContact CZ2-CE1 3.85Å; W24-F74 HydrophobicContact CZ2-CE1 3.85Å; W24-F74 AromaticContact CZ2-CZ 3.93Å; W24-F74 HydrophobicContact CZ2-CZ 3.93Å; W24-F74 HydrophobicContact CZ3-CZ 4.34Å; T70-F74 PolarHBondContact N-O 2.84Å; T70-F74 WeakPolarHBondContact OG1-CD1 3.4Å; S71-F74 PolarHBondContact N-O 3.47Å; S71-F74 VanDerWaalsContact N-O 3.08Å; S71-F74 PolarHBondContact O-N 2.89Å; S71-F74 VanDerWaalsContact O-O 3.04Å; F74-Q76 HydrophobicContact CE1-CB 4.39Å; F74-L88 WeakPolarHBondContact CA-O 3.39Å
75G98.3Very high96.2Very high0 Ų063.3 Ų63.30%035%0.347CS..EExtended strand (participates in β ladder)trans-149.9163.2172.500000112.1F67 T68 G87 L88F67-G75 VanDerWaalsContact CE2-C 3.45Å; T68-G75 CarbonylContact O-C 3.53Å; T68-G75 WeakPolarHBondContact O-CA 3.32Å; G75-G87 WeakPolarHBondContact O-CA 3.43Å; G75-L88 PolarHBondContact N-O 3.14Å; G75-L88 PolarHBondContact O-N 2.94Å
76Q98.2Very high96.3Very high48 Ų4863.4 Ų63.422%0.22435%0.346CS..EExtended strand (participates in β ladder)trans-145155.1-165.260.1-172.286.200112.6W24 F67 T68 T70 F74 V85 Y86W24-Q76 HydrophobicContact CH2-CB 3.86Å; W24-Q76 HydrophobicContact CZ2-CB 4.15Å; F67-Q76 CarbonylContact C-O 3.56Å; F67-Q76 WeakPolarHBondContact CA-O 3.38Å; T68-Q76 PolarHBondContact N-O 3.44Å; T68-Q76 PolarHBondContact O-N 2.92Å; T70-Q76 HydrophobicContact CG2-CG 4.26Å; T70-Q76 VanDerWaalsContact CG2-OE1 3.31Å; T70-Q76 PolarHBondContact OG1-OE1 2.87Å; F74-Q76 HydrophobicContact CE1-CB 4.39Å; Q76-V85 HydrophobicContact CB-CG1 4.37Å; Q76-Y86 CarbonylContact C-O 3.56Å; Q76-Y86 WeakPolarHBondContact CA-O 3.37Å; Q76-Y86 VanDerWaalsContact CB-O 3.27Å; Q76-Y86 WeakPolarHBondContact CB-O 3.29Å
77W98.3Very high96.4Very high3 Ų358.9 Ų58.91%0.01132%0.318CS..EExtended strand (participates in β ladder)trans-141.4149167.573103000110.7I47 I57 S59 T66 F67 V85 Y86 L88 F99 F103I47-W77 HydrophobicContact CB-CZ2 4.21Å; I47-W77 HydrophobicContact CD1-CD2 4.43Å; I47-W77 HydrophobicContact CD1-CH2 4.09Å; I47-W77 HydrophobicContact CD1-CZ2 3.62Å; I47-W77 HydrophobicContact CG1-CZ2 4.49Å; I47-W77 HydrophobicContact CG2-CH2 4.06Å; I47-W77 HydrophobicContact CG2-CZ2 4.07Å; I57-W77 HydrophobicContact CD1-CH2 4.14Å; I57-W77 HydrophobicContact CG2-CH2 4.27Å; I57-W77 HydrophobicContact CG2-CZ2 3.89Å; S59-W77 PolarHBondContact OG-NE1 2.93Å; T66-W77 WeakPolarHBondContact O-CB 3.49Å; F67-W77 HydrophobicContact CD2-CB 4.47Å; F67-W77 AromaticContact CD2-CE3 3.79Å; F67-W77 HydrophobicContact CD2-CE3 3.79Å; F67-W77 HydrophobicContact CD2-CZ3 4.47Å; F67-W77 AromaticContact CE2-CE3 3.97Å; F67-W77 HydrophobicContact CE2-CE3 3.97Å; F67-W77 HydrophobicContact CE2-CZ3 4.29Å; W77-V85 CarbonylContact O-C 3.58Å; W77-V85 WeakPolarHBondContact O-CA 3.46Å; W77-V85 WeakPolarHBondContact O-CG1 3.34Å; W77-Y86 AromaticContact CE2-CD2 3.72Å; W77-Y86 HydrophobicContact CH2-CG 4.15Å; W77-Y86 AromaticContact CZ2-CD2 3.7Å; W77-Y86 HydrophobicContact CZ2-CD2 3.7Å; W77-Y86 AromaticContact CZ2-CG 3.77Å; W77-Y86 HydrophobicContact CZ2-CG 3.77Å; W77-Y86 PolarHBondContact N-O 3.41Å; W77-Y86 AromaticContact NE1-CD2 3.75Å; W77-Y86 PolarHBondContact O-N 3.42Å; W77-L88 HydrophobicContact CH2-CD1 4.12Å; W77-L88 HydrophobicContact CH2-CG 4.38Å; W77-L88 HydrophobicContact CZ3-CD1 3.7Å; W77-L88 HydrophobicContact CZ3-CG 3.88Å; W77-F99 HydrophobicContact CZ3-CE1 4.3Å; W77-F99 HydrophobicContact CZ3-CZ 4.31Å; W77-F103 HydrophobicContact CB-CE2 4.12Å; W77-F103 HydrophobicContact CB-CZ 3.99Å; W77-F103 AromaticContact CD2-CE2 4Å; W77-F103 HydrophobicContact CD2-CE2 4Å; W77-F103 HydrophobicContact CE3-CE2 4.44Å; W77-F103 AromaticContact CG-CE2 3.85Å; W77-F103 HydrophobicContact CG-CE2 3.85Å; W77-F103 HydrophobicContact CG-CZ 4.02Å
78A96.7Very high96.4Very high54 Ų5457.7 Ų57.745%0.44631%0.313SS..EExtended strand (participates in β ladder)trans-85.1135.8170.800000110.2V85A78-V85 HydrophobicContact CB-CG2 4.17Å
79D96Very high96.4Very high4 Ų455 Ų552%0.02130%0.3CS..EExtended strand (participates in β ladder)trans-11597.7167.9-170.9-31.5000109.3S59 M65 R81 A82 N83 T84 Y86S59-D79 WeakPolarHBondContact CA-OD2 3.14Å; S59-D79 WeakPolarHBondContact CB-OD2 3.21Å; S59-D79 PolarHBondContact OG-OD2 2.9Å; M65-D79 HydrophobicContact CE-CB 4.15Å; D79-R81 PolarHBondContact O-N 3.17Å; D79-R81 WeakPolarHBondContact OD1-CA 3.49Å; D79-R81 VanDerWaalsContact OD1-CB 3.3Å; D79-R81 WeakPolarHBondContact OD1-CB 3.4Å; D79-R81 PolarHBondContact OD1-N 3.43Å; D79-A82 HydrophobicContact CB-CB 4.09Å; D79-A82 CarbonylContact O-C 3.52Å; D79-A82 PolarHBondContact O-N 3.38Å; D79-A82 PolarHBondContact OD1-N 2.95Å; D79-N83 PolarHBondContact O-N 2.87Å; D79-T84 PolarHBondContact N-O 2.97Å; D79-T84 PolarHBondContact O-N 3.2Å; D79-Y86 HydrophobicContact CB-CD2 4.15Å; D79-Y86 HydrophobicContact CB-CE2 3.89Å
80S92.4Very high96.4Very high113 Ų11351.3 Ų51.379%0.7928%0.284SS*.THydrogen-bonded Turntrans-63.6-26.3178.8-46.10000113
81R92.2Very high96.5Very high190 Ų19051.2 Ų51.272%0.71729%0.286SS*.THydrogen-bonded Turntrans-75.3-33.9177.7-173.9-173.8-179.3-157.20.8111.1T60 D79T60-R81 PolarHBondContact OG1-NH1 3.3Å; D79-R81 PolarHBondContact O-N 3.17Å; D79-R81 WeakPolarHBondContact OD1-CA 3.49Å; D79-R81 VanDerWaalsContact OD1-CB 3.3Å; D79-R81 WeakPolarHBondContact OD1-CB 3.4Å; D79-R81 PolarHBondContact OD1-N 3.43Å
82A91.6Very high96.6Very high49 Ų4950.3 Ų50.341%0.40528%0.277SS..THydrogen-bonded Turntrans-92.60.4174.600000113.9D79 T84D79-A82 HydrophobicContact CB-CB 4.09Å; D79-A82 CarbonylContact O-C 3.52Å; D79-A82 PolarHBondContact O-N 3.38Å; D79-A82 PolarHBondContact OD1-N 2.95Å; A82-T84 HydrophobicContact CB-CG2 3.86Å; A82-T84 PolarHBondContact O-N 2.94Å; A82-T84 VanDerWaalsContact O-N 3.15Å
83N93.5Very high96.7Very high119 Ų11949.3 Ų49.364%0.63627%0.272SS*.THydrogen-bonded Turntrans47.936.8-175.6-167.3-0.8000113.7K21 D79K21-N83 PolarHBondContact NZ-O 3.48Å; K21-N83 PolarHBondContact NZ-OD1 2.88Å; D79-N83 PolarHBondContact O-N 2.87Å
84T95.2Very high96.7Very high15 Ų1551.1 Ų51.19%0.09228%0.283CS..EExtended strand (participates in β ladder)trans-139.3164.9-175.9-165.50000111.5D79 A82 Y86D79-T84 PolarHBondContact N-O 2.97Å; D79-T84 PolarHBondContact O-N 3.2Å; A82-T84 HydrophobicContact CB-CG2 3.86Å; A82-T84 PolarHBondContact O-N 2.94Å; A82-T84 VanDerWaalsContact O-N 3.15Å; T84-Y86 HydrophobicContact CG2-CD2 4.06Å; T84-Y86 HydrophobicContact CG2-CE1 4.12Å; T84-Y86 HydrophobicContact CG2-CE2 3.56Å
85V97Very high96.6Very high31 Ų3151.2 Ų51.219%0.18828%0.284CS..EExtended strand (participates in β ladder)trans-119.4119.2171.8-174.80000106.8Q15 I16 W24 Q76 W77 A78Q15-V85 CarbonylContact C-O 3.54Å; Q15-V85 WeakPolarHBondContact CA-O 3.27Å; I16-V85 HydrophobicContact CB-CB 4.07Å; I16-V85 HydrophobicContact CG2-CB 3.73Å; I16-V85 HydrophobicContact CG2-CG2 3.88Å; I16-V85 PolarHBondContact N-O 2.78Å; W24-V85 HydrophobicContact CH2-CG1 3.93Å; W24-V85 WeakPolarHBondContact CZ3-O 3.39Å; Q76-V85 HydrophobicContact CB-CG1 4.37Å; W77-V85 CarbonylContact O-C 3.58Å; W77-V85 WeakPolarHBondContact O-CA 3.46Å; W77-V85 WeakPolarHBondContact O-CG1 3.34Å; A78-V85 HydrophobicContact CB-CG2 4.17Å
86Y98.2Very high96.6Very high17 Ų1751.4 Ų51.47%0.06729%0.285CS..EExtended strand (participates in β ladder)trans-88.1142176.7-66.8-76000109.8Q15 I57 Q76 W77 D79 T84Q15-Y86 HydrophobicContact CG-CD1 3.77Å; Q15-Y86 HydrophobicContact CG-CE1 3.92Å; I57-Y86 HydrophobicContact CB-CE1 4.23Å; I57-Y86 HydrophobicContact CG1-CD1 3.99Å; I57-Y86 HydrophobicContact CG1-CE1 4.06Å; I57-Y86 HydrophobicContact CG2-CD1 4.11Å; I57-Y86 HydrophobicContact CG2-CD2 4.42Å; I57-Y86 HydrophobicContact CG2-CE1 3.96Å; I57-Y86 HydrophobicContact CG2-CE2 4.26Å; I57-Y86 HydrophobicContact CG2-CG 4.35Å; Q76-Y86 CarbonylContact C-O 3.56Å; Q76-Y86 WeakPolarHBondContact CA-O 3.37Å; Q76-Y86 VanDerWaalsContact CB-O 3.27Å; Q76-Y86 WeakPolarHBondContact CB-O 3.29Å; W77-Y86 AromaticContact CE2-CD2 3.72Å; W77-Y86 HydrophobicContact CH2-CG 4.15Å; W77-Y86 AromaticContact CZ2-CD2 3.7Å; W77-Y86 HydrophobicContact CZ2-CD2 3.7Å; W77-Y86 AromaticContact CZ2-CG 3.77Å; W77-Y86 HydrophobicContact CZ2-CG 3.77Å; W77-Y86 PolarHBondContact N-O 3.41Å; W77-Y86 AromaticContact NE1-CD2 3.75Å; W77-Y86 PolarHBondContact O-N 3.42Å; D79-Y86 HydrophobicContact CB-CD2 4.15Å; D79-Y86 HydrophobicContact CB-CE2 3.89Å; T84-Y86 HydrophobicContact CG2-CD2 4.06Å; T84-Y86 HydrophobicContact CG2-CE1 4.12Å; T84-Y86 HydrophobicContact CG2-CE2 3.56Å
87G98.1Very high96.6Very high0 Ų053 Ų530%029%0.292CS..EExtended strand (participates in β ladder)trans-130.4142.8174.900000111.1F14 G75F14-G87 PolarHBondContact N-O 3.2Å; F14-G87 PolarHBondContact O-N 3.35Å; G75-G87 WeakPolarHBondContact O-CA 3.43Å
88L98.6Very high96.6Very high0 Ų056.4 Ų56.40%031%0.308CS..EExtended strand (participates in β ladder)trans-127.9120.7-177.7-66.4179.1000111.1A11 H12 V13 V34 I57 F74 G75 W77 F90 F99A11-L88 HydrophobicContact CB-CB 4.15Å; A11-L88 HydrophobicContact CB-CD2 4.1Å; H12-L88 WeakPolarHBondContact O-CA 3.31Å; V13-L88 HydrophobicContact CB-CD2 4.33Å; V13-L88 HydrophobicContact CG1-CD2 4.4Å; V13-L88 HydrophobicContact CG2-CD2 3.78Å; V34-L88 HydrophobicContact CG1-CD1 4.15Å; V34-L88 HydrophobicContact CG2-CD2 3.95Å; I57-L88 HydrophobicContact CD1-CD2 4.01Å; F74-L88 WeakPolarHBondContact CA-O 3.39Å; G75-L88 PolarHBondContact N-O 3.14Å; G75-L88 PolarHBondContact O-N 2.94Å; W77-L88 HydrophobicContact CH2-CD1 4.12Å; W77-L88 HydrophobicContact CH2-CG 4.38Å; W77-L88 HydrophobicContact CZ3-CD1 3.7Å; W77-L88 HydrophobicContact CZ3-CG 3.88Å; L88-F90 HydrophobicContact CB-CD2 4.33Å; L88-F90 HydrophobicContact CB-CE2 3.51Å; L88-F90 HydrophobicContact CB-CZ 3.63Å; L88-F90 HydrophobicContact CD1-CE2 4.44Å; L88-F90 HydrophobicContact CD1-CZ 3.77Å; L88-F90 HydrophobicContact CG-CZ 4.36Å; L88-F90 WeakPolarHBondContact O-CD2 3.41Å; L88-F90 WeakPolarHBondContact O-CE2 3.49Å; L88-F99 HydrophobicContact CD1-CD1 4.21Å; L88-F99 HydrophobicContact CD1-CD2 4.39Å; L88-F99 HydrophobicContact CD1-CE1 3.65Å; L88-F99 HydrophobicContact CD1-CE2 3.85Å; L88-F99 HydrophobicContact CD1-CZ 3.44Å; L88-F99 VanDerWaalsContact CD1-CZ 3.44Å
89G98.3Very high96.7Very high13 Ų1353.9 Ų53.913%0.13429%0.287CS..EExtended strand (participates in β ladder)trans-98.8110.9171.900000111.8A11 H12 K73A11-G89 WeakPolarHBondContact CA-O 3.3Å; H12-G89 PolarHBondContact N-O 2.9Å; H12-G89 PolarHBondContact O-N 2.99Å; K73-G89 WeakPolarHBondContact O-CA 3.2Å
90F98.5Very high96.8Very high9 Ų954.1 Ų54.14%0.03929%0.289CS..EExtended strand (participates in β ladder)trans-92160.4-176.6-61.3-87.2000112.3T9 A11 F67 K73 L88 Q95 L96 F99T9-F90 HydrophobicContact CG2-CE1 3.88Å; A11-F90 HydrophobicContact CB-CD1 3.84Å; A11-F90 HydrophobicContact CB-CE1 3.84Å; A11-F90 HydrophobicContact CB-CG 4.39Å; A11-F90 HydrophobicContact CB-CZ 4.37Å; F67-F90 HydrophobicContact CZ-CE2 4.33Å; K73-F90 PolarHBondContact O-N 3.42Å; L88-F90 HydrophobicContact CB-CD2 4.33Å; L88-F90 HydrophobicContact CB-CE2 3.51Å; L88-F90 HydrophobicContact CB-CZ 3.63Å; L88-F90 HydrophobicContact CD1-CE2 4.44Å; L88-F90 HydrophobicContact CD1-CZ 3.77Å; L88-F90 HydrophobicContact CG-CZ 4.36Å; L88-F90 WeakPolarHBondContact O-CD2 3.41Å; L88-F90 WeakPolarHBondContact O-CE2 3.49Å; F90-Q95 HydrophobicContact CB-CB 3.94Å; F90-Q95 HydrophobicContact CD1-CB 3.75Å; F90-Q95 HydrophobicContact CG-CB 4.11Å; F90-L96 HydrophobicContact CD2-CB 3.79Å; F90-L96 HydrophobicContact CD2-CD1 3.65Å; F90-L96 HydrophobicContact CD2-CG 4.33Å; F90-L96 HydrophobicContact CE2-CB 4.27Å; F90-L96 HydrophobicContact CE2-CD1 3.49Å; F90-L96 VanDerWaalsContact CE2-CD1 3.49Å; F90-L96 HydrophobicContact CG-CB 4.29Å; F90-F99 HydrophobicContact CE1-CB 3.92Å; F90-F99 HydrophobicContact CE1-CD2 4.34Å; F90-F99 HydrophobicContact CE1-CG 4.11Å; F90-F99 HydrophobicContact CZ-CB 3.67Å; F90-F99 AromaticContact CZ-CD1 3.92Å; F90-F99 HydrophobicContact CZ-CD1 3.92Å; F90-F99 HydrophobicContact CZ-CD2 4.17Å; F90-F99 AromaticContact CZ-CG 3.64Å; F90-F99 HydrophobicContact CZ-CG 3.64Å
91S97.6Very high97.1Very high76 Ų7652.4 Ų52.453%0.53127%0.269SS..SBendtrans-74.9-34.1176.261.10000112.3K73 Q95K73-S91 WeakPolarHBondContact CD-O 3.48Å; K73-S91 PolarHBondContact NZ-O 2.94Å; S91-Q95 PolarHBondContact OG-NE2 3.41Å; S91-Q95 VanDerWaalsContact OG-NE2 3.15Å; S91-Q95 PolarHBondContact OG-OE1 3.07Å
92T97.6Very high97.3Very high59 Ų5945 Ų4536%0.36224%0.242SC..SBendtrans-128.8158.5179.663.70000112.2Q94 Q95T92-Q94 VanDerWaalsContact C-N 3.31Å; T92-Q95 PolarHBondContact O-N 2.92Å; T92-Q95 WeakPolarHBondContact OG1-CG 3.34Å; T92-Q95 PolarHBondContact OG1-N 3Å
93E97.8Very high97.7Very high101 Ų10142.8 Ų42.847%0.47222%0.224SC..Hα-helixtrans-63.5-36.2172.3-179.3166.8-168.200112.1Q72 Q95 L96 Q97Q72-E93 HydrophobicContact CG-CB 4.12Å; Q72-E93 VanDerWaalsContact CG-CD 3.48Å; Q72-E93 HydrophobicContact CG-CG 4.07Å; Q72-E93 VanDerWaalsContact CG-OE2 3.22Å; Q72-E93 WeakPolarHBondContact CG-OE2 3.46Å; Q72-E93 PolarHBondContact NE2-OE2 3.36Å; E93-Q95 VanDerWaalsContact C-N 3.29Å; E93-Q95 PolarHBondContact O-N 3.34Å; E93-L96 WeakPolarHBondContact O-CB 3.39Å; E93-L96 PolarHBondContact O-N 3.46Å; E93-L96 VanDerWaalsContact O-N 3.08Å; E93-Q97 PolarHBondContact O-N 2.95Å
94Q97.4Very high97.8Very high134 Ų13443.9 Ų43.963%0.62622%0.223SC*.Hα-helixtrans-58.5-38.1176.7-170.6-178.516.500112.6T92 Q97 Q98T92-Q94 VanDerWaalsContact C-N 3.31Å; Q94-Q97 WeakPolarHBondContact O-CB 3.44Å; Q94-Q97 PolarHBondContact O-N 3.46Å; Q94-Q98 WeakPolarHBondContact O-CB 3.48Å; Q94-Q98 VanDerWaalsContact O-CG 3.31Å; Q94-Q98 WeakPolarHBondContact O-CG 3.45Å; Q94-Q98 PolarHBondContact O-N 3.5Å
95Q97.9Very high97.9Very high41 Ų4148.4 Ų48.419%0.19224%0.243CC..Hα-helixtrans-68.1-37.7175.2-74.1168.4-10.300112.4F90 S91 T92 E93 Q97 F99F90-Q95 HydrophobicContact CB-CB 3.94Å; F90-Q95 HydrophobicContact CD1-CB 3.75Å; F90-Q95 HydrophobicContact CG-CB 4.11Å; S91-Q95 PolarHBondContact OG-NE2 3.41Å; S91-Q95 VanDerWaalsContact OG-NE2 3.15Å; S91-Q95 PolarHBondContact OG-OE1 3.07Å; T92-Q95 PolarHBondContact O-N 2.92Å; T92-Q95 WeakPolarHBondContact OG1-CG 3.34Å; T92-Q95 PolarHBondContact OG1-N 3Å; E93-Q95 VanDerWaalsContact C-N 3.29Å; E93-Q95 PolarHBondContact O-N 3.34Å; Q95-Q97 VanDerWaalsContact C-N 3.33Å; Q95-F99 VanDerWaalsContact O-CB 3.31Å; Q95-F99 WeakPolarHBondContact O-CB 3.4Å; Q95-F99 PolarHBondContact O-N 2.95Å
96L98.4Very high97.9Very high4 Ų447.2 Ų47.22%0.02124%0.236CC..Hα-helixtrans-65.6-38.2173.3177.670.2000111.2F67 K69 S71 Q72 F90 E93 A100F67-L96 HydrophobicContact CE1-CD1 3.71Å; F67-L96 HydrophobicContact CZ-CD1 3.74Å; K69-L96 HydrophobicContact CB-CD2 4.28Å; K69-L96 HydrophobicContact CD-CD2 4.03Å; K69-L96 HydrophobicContact CD-CG 4.13Å; K69-L96 HydrophobicContact CG-CD1 4.21Å; K69-L96 HydrophobicContact CG-CD2 3.99Å; K69-L96 HydrophobicContact CG-CG 4.06Å; S71-L96 VanDerWaalsContact O-CD2 3.26Å; S71-L96 WeakPolarHBondContact O-CD2 3.24Å; Q72-L96 VanDerWaalsContact O-CD2 3.28Å; Q72-L96 WeakPolarHBondContact O-CD2 3.44Å; F90-L96 HydrophobicContact CD2-CB 3.79Å; F90-L96 HydrophobicContact CD2-CD1 3.65Å; F90-L96 HydrophobicContact CD2-CG 4.33Å; F90-L96 HydrophobicContact CE2-CB 4.27Å; F90-L96 HydrophobicContact CE2-CD1 3.49Å; F90-L96 VanDerWaalsContact CE2-CD1 3.49Å; F90-L96 HydrophobicContact CG-CB 4.29Å; E93-L96 WeakPolarHBondContact O-CB 3.39Å; E93-L96 PolarHBondContact O-N 3.46Å; E93-L96 VanDerWaalsContact O-N 3.08Å; L96-A100 VanDerWaalsContact O-CB 3.3Å; L96-A100 WeakPolarHBondContact O-CB 3.2Å; L96-A100 PolarHBondContact O-N 3.34Å; L96-A100 VanDerWaalsContact O-N 3.08Å
97Q98Very high97.7Very high81 Ų8148.5 Ų48.538%0.37924%0.242SC..Hα-helixtrans-62.2-56.5175.3-174.366.326.700110.7E93 Q94 Q95 F99 A100 E101E93-Q97 PolarHBondContact O-N 2.95Å; Q94-Q97 WeakPolarHBondContact O-CB 3.44Å; Q94-Q97 PolarHBondContact O-N 3.46Å; Q95-Q97 VanDerWaalsContact C-N 3.33Å; Q97-F99 PolarHBondContact O-N 3.49Å; Q97-A100 PolarHBondContact O-N 2.65Å; Q97-A100 VanDerWaalsContact O-N 3.09Å; Q97-E101 WeakPolarHBondContact CG-OE1 3.48Å; Q97-E101 PolarHBondContact NE2-OE1 3.45Å; Q97-E101 WeakPolarHBondContact O-CG 3.48Å; Q97-E101 PolarHBondContact O-N 2.97Å
98Q97.9Very high97.6Very high75 Ų7551.7 Ų51.735%0.3526%0.257SS..Hα-helixtrans-57.8-43.6178.9-73.1171.1-23.400112.4F7 Q94 A100 E101 Q102F7-Q98 HydrophobicContact CZ-CB 4.21Å; Q94-Q98 WeakPolarHBondContact O-CB 3.48Å; Q94-Q98 VanDerWaalsContact O-CG 3.31Å; Q94-Q98 WeakPolarHBondContact O-CG 3.45Å; Q94-Q98 PolarHBondContact O-N 3.5Å; Q98-A100 VanDerWaalsContact C-N 3.33Å; Q98-A100 PolarHBondContact O-N 3.16Å; Q98-E101 PolarHBondContact O-N 2.97Å; Q98-Q102 WeakPolarHBondContact O-CB 3.18Å; Q98-Q102 WeakPolarHBondContact O-CG 3.09Å; Q98-Q102 PolarHBondContact O-N 3.24Å
99F98.4Very high97.4Very high0 Ų053 Ų530%027%0.268CS..Hα-helixtrans-64.3-37.9177.1-173.4-89.7000112.1F7 T9 V34 F36 I47 F67 W77 L88 F90 Q95 Q97 F103F7-F99 HydrophobicContact CE1-CD2 4.35Å; T9-F99 HydrophobicContact CG2-CD2 3.75Å; T9-F99 HydrophobicContact CG2-CE2 4.44Å; V34-F99 HydrophobicContact CG1-CE2 4.06Å; V34-F99 HydrophobicContact CG1-CZ 4.49Å; F36-F99 HydrophobicContact CD2-CE2 4.43Å; F36-F99 AromaticContact CE2-CD2 3.68Å; F36-F99 HydrophobicContact CE2-CD2 3.68Å; F36-F99 AromaticContact CE2-CE2 3.44Å; F36-F99 HydrophobicContact CE2-CE2 3.44Å; F36-F99 VanDerWaalsContact CE2-CE2 3.44Å; F36-F99 HydrophobicContact CE2-CG 4.48Å; F36-F99 HydrophobicContact CE2-CZ 4.06Å; F36-F99 HydrophobicContact CZ-CD2 4.07Å; F36-F99 HydrophobicContact CZ-CE1 4.26Å; F36-F99 AromaticContact CZ-CE2 3.62Å; F36-F99 HydrophobicContact CZ-CE2 3.62Å; F36-F99 AromaticContact CZ-CZ 3.72Å; F36-F99 HydrophobicContact CZ-CZ 3.72Å; I47-F99 HydrophobicContact CD1-CZ 4.28Å; I47-F99 HydrophobicContact CG2-CZ 4.42Å; F67-F99 HydrophobicContact CD1-CD1 4.45Å; F67-F99 HydrophobicContact CD2-CD1 4.15Å; F67-F99 AromaticContact CD2-CE1 3.79Å; F67-F99 HydrophobicContact CD2-CE1 3.79Å; F67-F99 HydrophobicContact CE1-CD1 4.04Å; F67-F99 AromaticContact CE2-CD1 3.72Å; F67-F99 HydrophobicContact CE2-CD1 3.72Å; F67-F99 AromaticContact CE2-CE1 3.54Å; F67-F99 HydrophobicContact CE2-CE1 3.54Å; F67-F99 HydrophobicContact CG-CD1 4.5Å; F67-F99 HydrophobicContact CG-CE1 4.44Å; F67-F99 AromaticContact CZ-CD1 3.65Å; F67-F99 HydrophobicContact CZ-CD1 3.65Å; F67-F99 AromaticContact CZ-CE1 3.99Å; F67-F99 HydrophobicContact CZ-CE1 3.99Å; W77-F99 HydrophobicContact CZ3-CE1 4.3Å; W77-F99 HydrophobicContact CZ3-CZ 4.31Å; L88-F99 HydrophobicContact CD1-CD1 4.21Å; L88-F99 HydrophobicContact CD1-CD2 4.39Å; L88-F99 HydrophobicContact CD1-CE1 3.65Å; L88-F99 HydrophobicContact CD1-CE2 3.85Å; L88-F99 HydrophobicContact CD1-CZ 3.44Å; L88-F99 VanDerWaalsContact CD1-CZ 3.44Å; F90-F99 HydrophobicContact CE1-CB 3.92Å; F90-F99 HydrophobicContact CE1-CD2 4.34Å; F90-F99 HydrophobicContact CE1-CG 4.11Å; F90-F99 HydrophobicContact CZ-CB 3.67Å; F90-F99 AromaticContact CZ-CD1 3.92Å; F90-F99 HydrophobicContact CZ-CD1 3.92Å; F90-F99 HydrophobicContact CZ-CD2 4.17Å; F90-F99 AromaticContact CZ-CG 3.64Å; F90-F99 HydrophobicContact CZ-CG 3.64Å; Q95-F99 VanDerWaalsContact O-CB 3.31Å; Q95-F99 WeakPolarHBondContact O-CB 3.4Å; Q95-F99 PolarHBondContact O-N 2.95Å; Q97-F99 PolarHBondContact O-N 3.49Å; F99-F103 HydrophobicContact CE1-CD2 4.09Å; F99-F103 VanDerWaalsContact O-CB 3.3Å; F99-F103 WeakPolarHBondContact O-CB 3.49Å; F99-F103 PolarHBondContact O-N 3.42Å
100A98.3Very high97.2Very high9 Ų952.9 Ų52.97%0.07427%0.265CS..Hα-helixtrans-71.6-28.9177.300000113.4F67 L96 Q97 Q98 K104F67-A100 HydrophobicContact CD1-CB 3.66Å; F67-A100 HydrophobicContact CE1-CB 3.88Å; L96-A100 VanDerWaalsContact O-CB 3.3Å; L96-A100 WeakPolarHBondContact O-CB 3.2Å; L96-A100 PolarHBondContact O-N 3.34Å; L96-A100 VanDerWaalsContact O-N 3.08Å; Q97-A100 PolarHBondContact O-N 2.65Å; Q97-A100 VanDerWaalsContact O-N 3.09Å; Q98-A100 VanDerWaalsContact C-N 3.33Å; Q98-A100 PolarHBondContact O-N 3.16Å; A100-K104 WeakPolarHBondContact O-CG 3.36Å; A100-K104 PolarHBondContact O-N 3.35Å
101E97.9Very high96.9Very high77 Ų7756.5 Ų56.536%0.3628%0.278SS..Hα-helixtrans-71.7-51.5172.9-73.4158.7169.600110.3Q97 Q98 F103 K104 E105Q97-E101 WeakPolarHBondContact CG-OE1 3.48Å; Q97-E101 PolarHBondContact NE2-OE1 3.45Å; Q97-E101 WeakPolarHBondContact O-CG 3.48Å; Q97-E101 PolarHBondContact O-N 2.97Å; Q98-E101 PolarHBondContact O-N 2.97Å; E101-F103 VanDerWaalsContact C-N 3.28Å; E101-F103 PolarHBondContact O-N 2.64Å; E101-K104 WeakPolarHBondContact O-CA 3.15Å; E101-K104 WeakPolarHBondContact O-CB 3.28Å; E101-K104 PolarHBondContact O-N 3.12Å; E101-E105 PolarHBondContact O-N 3.05Å
102Q97.9Very high96.6Very high34 Ų3457.5 Ų57.516%0.15928%0.277CS..Hα-helixtrans-58.3-37.1174.2-71.5-65.8-64.500112.8F7 F36 Q98 K104 E105 V106F7-Q102 HydrophobicContact CB-CG 4.24Å; F7-Q102 HydrophobicContact CD1-CB 4.33Å; F7-Q102 HydrophobicContact CD1-CG 4.11Å; F7-Q102 HydrophobicContact CD2-CG 3.79Å; F7-Q102 HydrophobicContact CE1-CG 4.38Å; F7-Q102 HydrophobicContact CE2-CG 4.1Å; F7-Q102 HydrophobicContact CG-CB 4.39Å; F7-Q102 HydrophobicContact CG-CG 3.79Å; F7-Q102 HydrophobicContact CZ-CG 4.38Å; F36-Q102 HydrophobicContact CD2-CB 4.4Å; F36-Q102 HydrophobicContact CE2-CB 3.88Å; F36-Q102 HydrophobicContact CZ-CB 4.3Å; Q98-Q102 WeakPolarHBondContact O-CB 3.18Å; Q98-Q102 WeakPolarHBondContact O-CG 3.09Å; Q98-Q102 PolarHBondContact O-N 3.24Å; Q102-K104 VanDerWaalsContact C-N 3.31Å; Q102-K104 PolarHBondContact O-N 3.47Å; Q102-E105 PolarHBondContact NE2-OE1 3.03Å; Q102-E105 VanDerWaalsContact NE2-OE1 3.13Å; Q102-E105 PolarHBondContact NE2-OE2 3.49Å; Q102-E105 PolarHBondContact O-N 2.97Å; Q102-V106 VanDerWaalsContact O-CB 3.32Å; Q102-V106 WeakPolarHBondContact O-CB 3.4Å; Q102-V106 VanDerWaalsContact O-CG2 3.24Å; Q102-V106 WeakPolarHBondContact O-CG2 3.37Å; Q102-V106 PolarHBondContact O-N 3.09Å
103F98.3Very high96.1Very high4 Ų455.1 Ų55.12%0.01826%0.264CS..Hα-helixtrans-61.3-38.4173.5-163.7-73.8000111.9F36 I47 M65 F67 W77 F99 E101 K107F36-F103 HydrophobicContact CE1-CB 4.43Å; F36-F103 HydrophobicContact CE1-CD2 4.24Å; F36-F103 HydrophobicContact CZ-CB 4.13Å; F36-F103 HydrophobicContact CZ-CD2 4.28Å; I47-F103 HydrophobicContact CD1-CD2 3.78Å; I47-F103 HydrophobicContact CD1-CE2 3.49Å; I47-F103 VanDerWaalsContact CD1-CE2 3.49Å; M65-F103 HydrophobicContact CB-CE1 4.15Å; M65-F103 HydrophobicContact CB-CZ 4.03Å; F67-F103 HydrophobicContact CB-CB 4.13Å; F67-F103 HydrophobicContact CB-CD1 3.69Å; F67-F103 HydrophobicContact CB-CD2 3.74Å; F67-F103 HydrophobicContact CB-CE1 3.96Å; F67-F103 HydrophobicContact CB-CE2 3.98Å; F67-F103 HydrophobicContact CB-CG 3.58Å; F67-F103 HydrophobicContact CB-CZ 4.1Å; F67-F103 HydrophobicContact CD2-CD2 4.19Å; F67-F103 HydrophobicContact CD2-CE2 4.37Å; F67-F103 HydrophobicContact CG-CD2 4.2Å; F67-F103 HydrophobicContact CG-CG 4.33Å; W77-F103 HydrophobicContact CB-CE2 4.12Å; W77-F103 HydrophobicContact CB-CZ 3.99Å; W77-F103 AromaticContact CD2-CE2 4Å; W77-F103 HydrophobicContact CD2-CE2 4Å; W77-F103 HydrophobicContact CE3-CE2 4.44Å; W77-F103 AromaticContact CG-CE2 3.85Å; W77-F103 HydrophobicContact CG-CE2 3.85Å; W77-F103 HydrophobicContact CG-CZ 4.02Å; F99-F103 HydrophobicContact CE1-CD2 4.09Å; F99-F103 VanDerWaalsContact O-CB 3.3Å; F99-F103 WeakPolarHBondContact O-CB 3.49Å; F99-F103 PolarHBondContact O-N 3.42Å; E101-F103 VanDerWaalsContact C-N 3.28Å; E101-F103 PolarHBondContact O-N 2.64Å; F103-K107 WeakPolarHBondContact O-CB 3.38Å; F103-K107 PolarHBondContact O-N 2.91Å
104K97.4Very high95.5Very high141 Ų14157.5 Ų57.561%0.61327%0.268SS*.Hα-helixtrans-68.6-49.3176-69.8172.2-179.8-176.60111.6A100 E101 Q102 V106 K107 E108A100-K104 WeakPolarHBondContact O-CG 3.36Å; A100-K104 PolarHBondContact O-N 3.35Å; E101-K104 WeakPolarHBondContact O-CA 3.15Å; E101-K104 WeakPolarHBondContact O-CB 3.28Å; E101-K104 PolarHBondContact O-N 3.12Å; Q102-K104 VanDerWaalsContact C-N 3.31Å; Q102-K104 PolarHBondContact O-N 3.47Å; K104-V106 PolarHBondContact O-N 3.43Å; K104-K107 PolarHBondContact O-N 3.2Å; K104-E108 PolarHBondContact O-N 3.08Å
105E96.4Very high94.9Very high111 Ų11154.6 Ų54.652%0.51926%0.255SS..Hα-helixtrans-56.5-50.2179-70.2168.8-135.800111.1E101 Q102 K107 E108 A109E101-E105 PolarHBondContact O-N 3.05Å; Q102-E105 PolarHBondContact NE2-OE1 3.03Å; Q102-E105 VanDerWaalsContact NE2-OE1 3.13Å; Q102-E105 PolarHBondContact NE2-OE2 3.49Å; Q102-E105 PolarHBondContact O-N 2.97Å; E105-K107 VanDerWaalsContact C-N 3.33Å; E105-K107 PolarHBondContact O-N 2.85Å; E105-E108 PolarHBondContact O-N 2.81Å; E105-A109 WeakPolarHBondContact O-CB 3.24Å; E105-A109 PolarHBondContact O-N 3.47Å
106V96Very high94.1Very high6 Ų660 Ų604%0.03628%0.278CS..Hα-helixtrans-69.6-29.5-179.8-179.80000112.1F36 Y45 I61 Q102 K104 A110F36-V106 HydrophobicContact CB-CG2 4.35Å; F36-V106 HydrophobicContact CD1-CB 4.05Å; F36-V106 HydrophobicContact CD1-CG1 3.96Å; F36-V106 HydrophobicContact CD1-CG2 3.98Å; F36-V106 HydrophobicContact CE1-CB 4.38Å; F36-V106 HydrophobicContact CG-CG2 4.21Å; Y45-V106 HydrophobicContact CD1-CG1 3.59Å; Y45-V106 HydrophobicContact CG-CG1 3.59Å; I61-V106 HydrophobicContact CD1-CB 4.22Å; I61-V106 HydrophobicContact CD1-CG1 3.46Å; I61-V106 VanDerWaalsContact CD1-CG1 3.46Å; Q102-V106 VanDerWaalsContact O-CB 3.32Å; Q102-V106 WeakPolarHBondContact O-CB 3.4Å; Q102-V106 VanDerWaalsContact O-CG2 3.24Å; Q102-V106 WeakPolarHBondContact O-CG2 3.37Å; Q102-V106 PolarHBondContact O-N 3.09Å; K104-V106 PolarHBondContact O-N 3.43Å; V106-A110 VanDerWaalsContact O-CB 3.31Å; V106-A110 WeakPolarHBondContact O-CB 3.22Å; V106-A110 PolarHBondContact O-N 2.99Å
107K95.9Very high93Very high44 Ų4462.4 Ų62.419%0.19130%0.295CS..Hα-helixtrans-67.7-41.2172.4-174.9-164.776.684.20112.2I61 P63 M65 F103 K104 E105 A110 R111I61-K107 HydrophobicContact CG2-CB 4.15Å; I61-K107 HydrophobicContact CG2-CG 4.44Å; P63-K107 WeakPolarHBondContact O-CD 3.36Å; P63-K107 PolarHBondContact O-NZ 3.02Å; P63-K107 VanDerWaalsContact O-NZ 3.16Å; M65-K107 WeakPolarHBondContact O-CD 3.21Å; F103-K107 WeakPolarHBondContact O-CB 3.38Å; F103-K107 PolarHBondContact O-N 2.91Å; K104-K107 PolarHBondContact O-N 3.2Å; E105-K107 VanDerWaalsContact C-N 3.33Å; E105-K107 PolarHBondContact O-N 2.85Å; K107-A110 PolarHBondContact O-N 3.1Å; K107-R111 PolarHBondContact O-N 3.37Å
108E95.4Very high91.6Very high67 Ų6762.2 Ų62.231%0.31329%0.294SS..Hα-helixtrans-70.4-37.4174.4-66.4-51.6127.300111.7K104 E105 A110 R111 L112K104-E108 PolarHBondContact O-N 3.08Å; E105-E108 PolarHBondContact O-N 2.81Å; E108-A110 VanDerWaalsContact C-N 3.3Å; E108-A110 PolarHBondContact O-N 3.3Å; E108-R111 WeakPolarHBondContact O-CB 3.37Å; E108-R111 PolarHBondContact O-N 2.94Å; E108-R111 VanDerWaalsContact O-N 3.16Å; E108-R111 IonicContact OE2-CZ 3.85Å; E108-R111 IonicContact OE2-NE 3.47Å; E108-R111 PolarHBondContact OE2-NE 2.97Å; E108-R111 IonicContact OE2-NH2 2.64Å; E108-R111 PolarHBondContact OE2-NH2 3.26Å; E108-R111 VanDerWaalsContact OE2-NH2 3.16Å; E108-L112 WeakPolarHBondContact O-CG 3.42Å; E108-L112 PolarHBondContact O-N 3.03Å
109A94.2Very high89.9Confident28 Ų2864.2 Ų64.223%0.23130%0.304CS..Hα-helixtrans-60.9-37.9170.100000112.2Y45 E105 A113Y45-A109 HydrophobicContact CD2-CB 4.47Å; Y45-A109 HydrophobicContact CE1-CB 4.28Å; Y45-A109 HydrophobicContact CE2-CB 3.8Å; E105-A109 WeakPolarHBondContact O-CB 3.24Å; E105-A109 PolarHBondContact O-N 3.47Å; A109-A113 VanDerWaalsContact O-CB 3.23Å; A109-A113 WeakPolarHBondContact O-CB 3.47Å; A109-A113 PolarHBondContact O-N 3.42Å
110A93Very high88.3Confident10 Ų1074.2 Ų74.28%0.08334%0.341CS..Hα-helixtrans-69.2-33173.600000113Y45 I61 V106 K107 E108 R114Y45-A110 HydrophobicContact CD2-CB 3.8Å; I61-A110 HydrophobicContact CG2-CB 4.16Å; V106-A110 VanDerWaalsContact O-CB 3.31Å; V106-A110 WeakPolarHBondContact O-CB 3.22Å; V106-A110 PolarHBondContact O-N 2.99Å; K107-A110 PolarHBondContact O-N 3.1Å; E108-A110 VanDerWaalsContact C-N 3.3Å; E108-A110 PolarHBondContact O-N 3.3Å; A110-R114 WeakPolarHBondContact O-CB 3.44Å; A110-R114 PolarHBondContact O-N 3.02Å; A110-R114 VanDerWaalsContact O-N 3.08Å
111R92.8Very high86.4Confident84 Ų8480 Ų8032%0.31737%0.365SS..Hα-helixtrans-63.9-52.9171.3-175.2-178.862.475.58.1110.7P63 K107 E108 A113 R114 E115P63-R111 HydrophobicContact CB-CB 4.17Å; P63-R111 HydrophobicContact CB-CG 4.34Å; P63-R111 HydrophobicContact CG-CB 4Å; P63-R111 HydrophobicContact CG-CG 4.3Å; K107-R111 PolarHBondContact O-N 3.37Å; E108-R111 WeakPolarHBondContact O-CB 3.37Å; E108-R111 PolarHBondContact O-N 2.94Å; E108-R111 VanDerWaalsContact O-N 3.16Å; E108-R111 IonicContact OE2-CZ 3.85Å; E108-R111 IonicContact OE2-NE 3.47Å; E108-R111 PolarHBondContact OE2-NE 2.97Å; E108-R111 IonicContact OE2-NH2 2.64Å; E108-R111 PolarHBondContact OE2-NH2 3.26Å; E108-R111 VanDerWaalsContact OE2-NH2 3.16Å; R111-A113 VanDerWaalsContact C-N 3.34Å; R111-A113 PolarHBondContact O-N 2.89Å; R111-R114 PolarHBondContact O-N 3.18Å; R111-R114 VanDerWaalsContact O-N 3.15Å; R111-E115 WeakPolarHBondContact CD-OE1 3.25Å; R111-E115 HydrophobicContact CG-CG 4.47Å; R111-E115 WeakPolarHBondContact CG-OE1 3.39Å; R111-E115 IonicContact CZ-OE1 2.73Å; R111-E115 IonicContact CZ-OE2 3.29Å; R111-E115 IonicContact NE-OE1 3.41Å; R111-E115 IonicContact NH1-OE1 3.94Å; R111-E115 PolarHBondContact NH1-OE1 3.4Å; R111-E115 IonicContact NH1-OE2 2.73Å; R111-E115 PolarHBondContact NH1-OE2 3.05Å; R111-E115 WeakPolarHBondContact O-CG 3.35Å; R111-E115 PolarHBondContact O-N 3.21Å
112L91.2Very high84.3Confident97 Ų9780.6 Ų80.651%0.50837%0.368SS..Hα-helixtrans-61.8-38.6178.3-66.7171.2000112.6E108 R114 E115 K116E108-L112 WeakPolarHBondContact O-CG 3.42Å; E108-L112 PolarHBondContact O-N 3.03Å; L112-R114 VanDerWaalsContact C-N 3.35Å; L112-E115 PolarHBondContact O-N 3.05Å; L112-K116 VanDerWaalsContact O-CB 3.29Å; L112-K116 WeakPolarHBondContact O-CB 3.5Å; L112-K116 PolarHBondContact O-N 2.91Å
113A88.3Confident82.3Confident10 Ų1086.4 Ų86.48%0.08340%0.399CS..Hα-helixtrans-63.6-38.9174.900000112.5N43 Y45 A109 R111 S117N43-A113 PolarHBondContact ND2-O 2.8Å; N43-A113 VanDerWaalsContact ND2-O 3.13Å; Y45-A113 HydrophobicContact CE2-CB 4.12Å; A109-A113 VanDerWaalsContact O-CB 3.23Å; A109-A113 WeakPolarHBondContact O-CB 3.47Å; A109-A113 PolarHBondContact O-N 3.42Å; R111-A113 VanDerWaalsContact C-N 3.34Å; R111-A113 PolarHBondContact O-N 2.89Å; A113-S117 WeakPolarHBondContact O-CB 3.3Å; A113-S117 PolarHBondContact O-N 2.91Å; A113-S117 PolarHBondContact O-OG 2.9Å
114R85.2Confident80.1Confident150 Ų15089.2 Ų89.257%0.56642%0.423SS*.Hα-helixtrans-70-46.8174.3-178.8177.3172.8171.6-0.3111.6A110 R111 L112 S117 Q118A110-R114 WeakPolarHBondContact O-CB 3.44Å; A110-R114 PolarHBondContact O-N 3.02Å; A110-R114 VanDerWaalsContact O-N 3.08Å; R111-R114 PolarHBondContact O-N 3.18Å; R111-R114 VanDerWaalsContact O-N 3.15Å; L112-R114 VanDerWaalsContact C-N 3.35Å; R114-S117 CarbonylContact O-C 3.59Å; R114-S117 WeakPolarHBondContact O-CA 3.27Å; R114-S117 WeakPolarHBondContact O-CB 3.43Å; R114-S117 PolarHBondContact O-N 3.46Å; R114-Q118 WeakPolarHBondContact O-CB 3.22Å; R114-Q118 PolarHBondContact O-N 2.88Å
115E84.6Confident77.4Confident74 Ų7487.2 Ų87.235%0.34642%0.419SS..Hα-helixtrans-57.9-51.1177.9-75.9164.8-175.700110.6R111 L112 S117 Q118 E119R111-E115 WeakPolarHBondContact CD-OE1 3.25Å; R111-E115 HydrophobicContact CG-CG 4.47Å; R111-E115 WeakPolarHBondContact CG-OE1 3.39Å; R111-E115 IonicContact CZ-OE1 2.73Å; R111-E115 IonicContact CZ-OE2 3.29Å; R111-E115 IonicContact NE-OE1 3.41Å; R111-E115 IonicContact NH1-OE1 3.94Å; R111-E115 PolarHBondContact NH1-OE1 3.4Å; R111-E115 IonicContact NH1-OE2 2.73Å; R111-E115 PolarHBondContact NH1-OE2 3.05Å; R111-E115 WeakPolarHBondContact O-CG 3.35Å; R111-E115 PolarHBondContact O-N 3.21Å; L112-E115 PolarHBondContact O-N 3.05Å; E115-S117 PolarHBondContact O-N 3.49Å; E115-S117 VanDerWaalsContact O-N 3.14Å; E115-Q118 CarbonylContact O-C 3.47Å; E115-Q118 WeakPolarHBondContact O-CA 3.45Å; E115-Q118 PolarHBondContact O-N 3.02Å; E115-E119 WeakPolarHBondContact O-CG 3.44Å; E115-E119 PolarHBondContact O-N 3.2Å
116K81.4Confident74.8Confident154 Ų15488.4 Ų88.467%0.6744%0.436SS*.Hα-helixtrans-58.6-28.9174.4-173.5174.7-177.1175.90113.9L112 R120L112-K116 VanDerWaalsContact O-CB 3.29Å; L112-K116 WeakPolarHBondContact O-CB 3.5Å; L112-K116 PolarHBondContact O-N 2.91Å; K116-R120 WeakPolarHBondContact O-CB 3.43Å; K116-R120 PolarHBondContact O-N 2.97Å
117S74.8Confident72.3Confident54 Ų5491 Ų9138%0.37846%0.464SS..Hα-helixtrans-77.7-33.5174.2-56.50000112.4N43 A113 R114 E115 F121N43-S117 PolarHBondContact ND2-OG 3.46Å; A113-S117 WeakPolarHBondContact O-CB 3.3Å; A113-S117 PolarHBondContact O-N 2.91Å; A113-S117 PolarHBondContact O-OG 2.9Å; R114-S117 CarbonylContact O-C 3.59Å; R114-S117 WeakPolarHBondContact O-CA 3.27Å; R114-S117 WeakPolarHBondContact O-CB 3.43Å; R114-S117 PolarHBondContact O-N 3.46Å; E115-S117 PolarHBondContact O-N 3.49Å; E115-S117 VanDerWaalsContact O-N 3.14Å; S117-F121 PolarHBondContact O-N 3.23Å
118Q67.4Low69.6Low78 Ų7897.3 Ų97.336%0.36450%0.499SS..Hα-helixtrans-79.5-41.8-180-174.1171.6-33.100111.3R114 E115 R120 F121 E122R114-Q118 WeakPolarHBondContact O-CB 3.22Å; R114-Q118 PolarHBondContact O-N 2.88Å; E115-Q118 CarbonylContact O-C 3.47Å; E115-Q118 WeakPolarHBondContact O-CA 3.45Å; E115-Q118 PolarHBondContact O-N 3.02Å; Q118-R120 VanDerWaalsContact C-N 3.29Å; Q118-R120 PolarHBondContact O-N 3.43Å; Q118-F121 CarbonylContact O-C 3.5Å; Q118-F121 WeakPolarHBondContact O-CA 3.48Å; Q118-F121 WeakPolarHBondContact O-CB 3.44Å; Q118-F121 PolarHBondContact O-N 3.32Å; Q118-E122 HydrophobicContact CG-CG 4.31Å; Q118-E122 VanDerWaalsContact CG-OE1 3.31Å; Q118-E122 WeakPolarHBondContact CG-OE1 3.27Å; Q118-E122 PolarHBondContact NE2-OE1 3Å; Q118-E122 WeakPolarHBondContact O-CG 3.26Å; Q118-E122 PolarHBondContact O-N 2.87Å
119E63.2Low66.6Low117 Ų117100.8 Ų100.855%0.54752%0.52SS..Hα-helixtrans-55.4-44.6168.3-70.1174.4157.100111E115 F121 E122 L123E115-E119 WeakPolarHBondContact O-CG 3.44Å; E115-E119 PolarHBondContact O-N 3.2Å; E119-F121 PolarHBondContact O-N 2.92Å; E119-E122 PolarHBondContact O-N 2.89Å; E119-L123 VanDerWaalsContact O-CB 3.24Å; E119-L123 WeakPolarHBondContact O-CB 3.2Å; E119-L123 VanDerWaalsContact O-CG 3.23Å; E119-L123 WeakPolarHBondContact O-CG 3.29Å; E119-L123 PolarHBondContact O-N 3.42Å
120R65.6Low63.9Low209 Ų209107.3 Ų107.379%0.78955%0.549SS*.Hα-helixtrans-62.2-24.1174.4-174.5179.7179.5-141-4.1113.1K116 Q118K116-R120 WeakPolarHBondContact O-CB 3.43Å; K116-R120 PolarHBondContact O-N 2.97Å; Q118-R120 VanDerWaalsContact C-N 3.29Å; Q118-R120 PolarHBondContact O-N 3.43Å
121F57.4Low61.1Low130 Ų130111.3 Ų111.357%0.5758%0.582SS**Hα-helixtrans-90.3-39.4178-177.6-93.6000112.3S117 Q118 E119 A124 N125S117-F121 PolarHBondContact O-N 3.23Å; Q118-F121 CarbonylContact O-C 3.5Å; Q118-F121 WeakPolarHBondContact O-CA 3.48Å; Q118-F121 WeakPolarHBondContact O-CB 3.44Å; Q118-F121 PolarHBondContact O-N 3.32Å; E119-F121 PolarHBondContact O-N 2.92Å; F121-A124 CarbonylContact O-C 3.56Å; F121-A124 WeakPolarHBondContact O-CA 3.23Å; F121-A124 WeakPolarHBondContact O-CB 3.3Å; F121-A124 PolarHBondContact O-N 2.87Å; F121-N125 PolarHBondContact O-N 3Å
122E53.7Low58.1Low90 Ų90111.4 Ų111.442%0.42160%0.601SS.*Hα-helixtrans-70-37.2176.7-70.5174.5-173.200111.3Q118 E119 A124 N125Q118-E122 HydrophobicContact CG-CG 4.31Å; Q118-E122 VanDerWaalsContact CG-OE1 3.31Å; Q118-E122 WeakPolarHBondContact CG-OE1 3.27Å; Q118-E122 PolarHBondContact NE2-OE1 3Å; Q118-E122 WeakPolarHBondContact O-CG 3.26Å; Q118-E122 PolarHBondContact O-N 2.87Å; E119-E122 PolarHBondContact O-N 2.89Å; E122-A124 PolarHBondContact O-N 3.22Å; E122-N125 CarbonylContact O-C 3.34Å; E122-N125 PolarHBondContact O-N 3.3Å
123L55.3Low55.5Low157 Ų157113 Ų11382%0.82262%0.617SS**THydrogen-bonded Turntrans-64.7-13.4166.9-71170.5000113.5E119E119-L123 VanDerWaalsContact O-CB 3.24Å; E119-L123 WeakPolarHBondContact O-CB 3.2Å; E119-L123 VanDerWaalsContact O-CG 3.23Å; E119-L123 WeakPolarHBondContact O-CG 3.29Å; E119-L123 PolarHBondContact O-N 3.42Å
124A53.7Low52.8Low63 Ų63121.9 Ų121.952%0.52166%0.657SS.*THydrogen-bonded Turntrans-102.1-17.8175.100000113.4F121 E122F121-A124 CarbonylContact O-C 3.56Å; F121-A124 WeakPolarHBondContact O-CA 3.23Å; F121-A124 WeakPolarHBondContact O-CB 3.3Å; F121-A124 PolarHBondContact O-N 2.87Å; E122-A124 PolarHBondContact O-N 3.22Å
125N40.8Very low50.1Low98 Ų98122.8 Ų122.852%0.52467%0.672SS.*  trans-149.993.2-179.6-78.4-62.8000111.3F121 E122 G127F121-N125 PolarHBondContact O-N 3Å; E122-N125 CarbonylContact O-C 3.34Å; E122-N125 PolarHBondContact O-N 3.3Å; N125-G127 VanDerWaalsContact C-N 3.28Å; N125-G127 PolarHBondContact O-N 3.2Å
126P41.5Very low47.4Very low136 Ų136125.1 Ų125.188%0.88370%0.697SS**  trans-8461.6-177.135.1-36.8000112.1
127G43Very low44.9Very low60 Ų60127.3 Ų127.362%0.61971%0.709SS**  trans-152.6136.5-175.100000115.5N125N125-G127 VanDerWaalsContact C-N 3.28Å; N125-G127 PolarHBondContact O-N 3.2Å
128L40.1Very low42.6Very low177 Ų177133.2 Ų133.293%0.92773%0.731SS**  trans69.6100.9172.4-53.9175.6000116.8
129N32.1Very low40.8Very low141 Ų141137.2 Ų137.275%0.75475%0.754SS**  trans-150.8105158.4-141.9-16.7000110.1
130I37.1Very low39.2Very low164 Ų164136.9 Ų136.984%0.84177%0.765SS**  trans-144.3147.3-179.9-67-175.2000109.2
131A33.7Very low37.4Very low94 Ų94136.3 Ų136.378%0.77777%0.771SS**  trans72.6155.5173.700000116.3
132A29.3Very low36Very low86 Ų86138 Ų13871%0.71178%0.781SS**  cis-173.1160.6-25.500000107.2
133P37.3Very low34.8Very low131 Ų131143 Ų14385%0.85180%0.795SS**  trans-78159.6-174.231.5-36000114.5
134Q31.2Very low33.5Very low196 Ų196142.2 Ų142.292%0.91679%0.787SS**  trans-91.1152.7-179.7-61.9-172.9600113.3
135L28.1Very low32.5Very low169 Ų169145 Ų14589%0.88580%0.803SS**  trans-161.6117.3169.8-130.9169.5000110.6
136S28.9Very low33.1Very low124 Ų124146.2 Ų146.287%0.86782%0.816SS**  trans169.6118.7158.2-82.50000112.2
137Q29.2Very low33.4Very low199 Ų199146 Ų14693%0.9382%0.815SS**  trans-172.5112.7147.2-173166.116.800111.4
138E26.6Very low33.1Very low179 Ų179150.9 Ų150.984%0.83683%0.826SS**  trans-163.2163.3161-139.9169.8-144.700112.5
139L28.5Very low33Very low162 Ų162150.3 Ų150.385%0.84882%0.823SS**  trans69.5137.5-179.4-48.1177000114.6
140S29.1Very low33.5Very low110 Ų110149.5 Ų149.577%0.76982%0.823SS**  cis-167.5177.336.546.80000112.9
141E29.5Very low33.4Very low196 Ų196148.4 Ų148.492%0.91682%0.824SS**  trans131.6136.5152.4-73.2-167.3166.100117.7
142E27.3Very low34Very low166 Ų166152.2 Ų152.278%0.77683%0.831SS**  trans-165.8158.1168.5-161.9-165.9-16600111
143R29.3Very low34.2Very low194 Ų194151.9 Ų151.973%0.73284%0.836SS**  trans143.5106135.7-67.4-92.6-80.1-169.6-9.9119.2
144H27.9Very low35.4Very low141 Ų141152.7 Ų152.765%0.65384%0.841SS**  trans77.3175.1137.2-54.9-21.8000125.2
145S32.8Very low35.8Very low121 Ų121147.3 Ų147.385%0.84684%0.838SS**  trans-147.1174.7-140.3-420000119.5
146P52.8Low36.5Very low124 Ų124148.6 Ų148.681%0.80584%0.84SS**  trans-134175.2-167.344.3-29.4000122.3
147P47.3Very low36.8Very low131 Ų131149.1 Ų149.185%0.85183%0.829SS**  trans-135.8-176.3-176.543.7-26.4000120.7
148L37.8Very low38Very low164 Ų164147.8 Ų147.886%0.85982%0.82SS**  trans-167.5164.4-179.9-125.1177.3000116.8
149L36.3Very low38.6Very low165 Ų165147.1 Ų147.186%0.86482%0.821SS**  trans174.5-179.3156.8-96.8170.4000120.1
150T42.8Very low39Very low124 Ų124148.2 Ų148.276%0.76182%0.82SS**  trans-155.20-160.157.60000121.9
151V36.2Very low39.5Very low141 Ų141152.5 Ų152.586%0.85582%0.819SS**  000167.20000121.9
152N45.2Very low40.2Very low173 Ų173146.9 Ų146.993%0.92580%0.801SS**  000-78.6-35.9000123.3
153G34.3Very low40.9Very low79 Ų79148 Ų14881%0.81480%0.798SS**  00000000125.8
154P62.3Low41.5Very low148 Ų148143.2 Ų143.296%0.96180%0.795SS**  00044.9-24000125.3
155G38.8Very low42.3Very low83 Ų83141.5 Ų141.586%0.85681%0.805SS**  00000000125.3
156E43Very low43.2Very low197 Ų197138.8 Ų138.892%0.92178%0.779SS**  000-58.6-176.690.200119.7
157E36.4Very low43.1Very low135 Ų135138.2 Ų138.263%0.63177%0.772SS**  000-130.9-76137.400118.9
158K54.1Low43.1Very low171 Ų171139.9 Ų139.974%0.74377%0.769SS**  000-52.9172.6-171.6111.40124.3
159L38.5Very low43.8Very low164 Ų164138.6 Ų138.686%0.85976%0.762SS**  000-81.3169.9000117.5
160F37.9Very low44.7Very low186 Ų186131.9 Ų131.982%0.81673%0.728SS**  0-129.30-151.1-119.9000120
161R38.4Very low45.3Very low199 Ų199128.5 Ų128.575%0.75171%0.713SS**  trans-155.2-174.1-161.1-140.7-160.8-76161.2-6.2123.2
162S45.5Very low46.2Very low78 Ų78127.1 Ų127.155%0.54570%0.697SS.*  trans-129175.9-167.966.50000119.2E166S162-E166 PolarHBondContact OG-OE1 2.72Å
163R41.1Very low46.8Very low190 Ų190125.3 Ų125.372%0.71768%0.681SS**  trans167.9136.7137.4-93.7165-165.4-1630.7120.3E166R163-E166 VanDerWaalsContact CA-OE2 3.22Å; R163-E166 WeakPolarHBondContact CA-OE2 3.33Å; R163-E166 HydrophobicContact CG-CG 4.34Å; R163-E166 WeakPolarHBondContact CG-OE1 3.23Å
164S41.5Very low48.1Very low94 Ų94125.8 Ų125.866%0.65766%0.662SS**SBend166.4-17.4123.9-74.60000119.4E166S164-E166 PolarHBondContact N-OE2 3.34Å; S164-E166 PolarHBondContact O-N 2.59Å
165A44.7Very low48.5Very low104 Ų104126.6 Ų126.686%0.8665%0.646SS**SBendtrans-75.245.9168.100000111.1
166E51.5Low49.6Very low65 Ų65126 Ų12630%0.30463%0.626SS.*  -165.343.9-129.7-159.1172.3147.400107.1S162 R163 S164 T170S162-E166 PolarHBondContact OG-OE1 2.72Å; R163-E166 VanDerWaalsContact CA-OE2 3.22Å; R163-E166 WeakPolarHBondContact CA-OE2 3.33Å; R163-E166 HydrophobicContact CG-CG 4.34Å; R163-E166 WeakPolarHBondContact CG-OE1 3.23Å; S164-E166 PolarHBondContact N-OE2 3.34Å; S164-E166 PolarHBondContact O-N 2.59Å; E166-T170 HydrophobicContact CB-CG2 4.22Å; E166-T170 HydrophobicContact CG-CG2 3.55Å; E166-T170 PolarHBondContact O-OG1 3.37Å
167V51.7Low50.5Low111 Ų111121.5 Ų121.567%0.67360%0.603SS**SBendtrans-126.2-61.3171.1-175.30000111T170 A171V167-T170 VanDerWaalsContact C-OG1 3.23Å; V167-T170 WeakPolarHBondContact CA-OG1 3.46Å; V167-T170 PolarHBondContact N-OG1 2.82Å; V167-T170 CarbonylContact O-C 3.52Å; V167-T170 PolarHBondContact O-OG1 3.34Å; V167-A171 WeakPolarHBondContact O-CB 3.4Å; V167-A171 PolarHBondContact O-N 2.89Å
168E47.1Very low51.9Low166 Ų166120.2 Ų120.278%0.77660%0.595SS**SBendtrans-85.5-46.5178.8-81.7-172.4138.900113.8T170 A171 E172E168-T170 PolarHBondContact O-N 3.37Å; E168-T170 VanDerWaalsContact O-N 3.12Å; E168-A171 WeakPolarHBondContact O-CA 3.47Å; E168-A171 WeakPolarHBondContact O-CB 3.22Å; E168-A171 PolarHBondContact O-N 3.05Å; E168-E172 PolarHBondContact O-N 3.21Å; E168-E172 VanDerWaalsContact O-N 3.1Å
169L52.3Low52.4Low138 Ų138118.3 Ų118.372%0.72359%0.591SS**Hα-helixtrans-60.5-24.7172.2-156.988.9000110.7K173L169-K173 WeakPolarHBondContact O-CA 3.3Å; L169-K173 WeakPolarHBondContact O-CB 3.37Å; L169-K173 PolarHBondContact O-N 3.39Å
170T54.6Low53.4Low24 Ų24116.3 Ų116.315%0.14758%0.58CS.*Hα-helixtrans-88.9-16.5165.9490000115.4E166 V167 E168 E172 E174E166-T170 HydrophobicContact CB-CG2 4.22Å; E166-T170 HydrophobicContact CG-CG2 3.55Å; E166-T170 PolarHBondContact O-OG1 3.37Å; V167-T170 VanDerWaalsContact C-OG1 3.23Å; V167-T170 WeakPolarHBondContact CA-OG1 3.46Å; V167-T170 PolarHBondContact N-OG1 2.82Å; V167-T170 CarbonylContact O-C 3.52Å; V167-T170 PolarHBondContact O-OG1 3.34Å; E168-T170 PolarHBondContact O-N 3.37Å; E168-T170 VanDerWaalsContact O-N 3.12Å; T170-E172 PolarHBondContact O-N 3.31Å; T170-E174 VanDerWaalsContact O-CA 3.28Å; T170-E174 WeakPolarHBondContact O-CA 3.34Å; T170-E174 WeakPolarHBondContact O-CB 3.38Å; T170-E174 WeakPolarHBondContact O-CG 3.45Å; T170-E174 PolarHBondContact O-N 2.88Å
171A56.5Low54.4Low53 Ų53109.9 Ų109.944%0.43856%0.558SS.*Hα-helixtrans-62.8-42.8167.700000108.3V167 E168 R175V167-A171 WeakPolarHBondContact O-CB 3.4Å; V167-A171 PolarHBondContact O-N 2.89Å; E168-A171 WeakPolarHBondContact O-CA 3.47Å; E168-A171 WeakPolarHBondContact O-CB 3.22Å; E168-A171 PolarHBondContact O-N 3.05Å; A171-R175 WeakPolarHBondContact O-CB 3.45Å; A171-R175 PolarHBondContact O-N 3.48Å
172E54.8Low55.3Low112 Ų112105.2 Ų105.252%0.52355%0.545SS..Hα-helixtrans-82.6-43.2178-153.560.7-166.300113E168 T170 E174 R175 V176E168-E172 PolarHBondContact O-N 3.21Å; E168-E172 VanDerWaalsContact O-N 3.1Å; T170-E172 PolarHBondContact O-N 3.31Å; E172-E174 PolarHBondContact O-N 2.84Å; E172-R175 WeakPolarHBondContact O-CA 3.31Å; E172-R175 WeakPolarHBondContact O-CB 3.39Å; E172-R175 PolarHBondContact O-N 3.31Å; E172-V176 WeakPolarHBondContact O-CG2 3.44Å; E172-V176 PolarHBondContact O-N 3.19Å
173K58.8Low56Low135 Ų135103.4 Ų103.459%0.58754%0.539SS*.Hα-helixtrans-65.2-36.6172.7179.4-175176.1-177.20111.9L169 K177L169-K173 WeakPolarHBondContact O-CA 3.3Å; L169-K173 WeakPolarHBondContact O-CB 3.37Å; L169-K173 PolarHBondContact O-N 3.39Å; K173-K177 WeakPolarHBondContact O-CA 3.48Å; K173-K177 WeakPolarHBondContact O-CB 3.49Å; K173-K177 PolarHBondContact O-N 2.66Å
174E60.7Low56.8Low88 Ų8897.1 Ų97.141%0.41152%0.524SS..Hα-helixtrans-72.6-26.1169.6-60.7-74130.200111.4T170 E172 K177 K178T170-E174 VanDerWaalsContact O-CA 3.28Å; T170-E174 WeakPolarHBondContact O-CA 3.34Å; T170-E174 WeakPolarHBondContact O-CB 3.38Å; T170-E174 WeakPolarHBondContact O-CG 3.45Å; T170-E174 PolarHBondContact O-N 2.88Å; E172-E174 PolarHBondContact O-N 2.84Å; E174-K177 WeakPolarHBondContact OE1-CD 3.3Å; E174-K177 IonicContact OE1-NZ 2.69Å; E174-K177 PolarHBondContact OE1-NZ 3.24Å; E174-K177 IonicContact OE2-NZ 2.64Å; E174-K177 PolarHBondContact OE2-NZ 2.88Å; E174-K178 WeakPolarHBondContact O-CA 3.45Å; E174-K178 WeakPolarHBondContact O-CB 3.43Å; E174-K178 PolarHBondContact O-N 3.46Å
175R70.6Confident57.5Low166 Ų16697.8 Ų97.863%0.62652%0.518SS*.Hα-helixtrans-65.7-51.2169.6-121.9-170.8-172.294.23.5112.1A171 E172 K178 M179A171-R175 WeakPolarHBondContact O-CB 3.45Å; A171-R175 PolarHBondContact O-N 3.48Å; E172-R175 WeakPolarHBondContact O-CA 3.31Å; E172-R175 WeakPolarHBondContact O-CB 3.39Å; E172-R175 PolarHBondContact O-N 3.31Å; R175-K178 PolarHBondContact O-N 2.94Å; R175-M179 PolarHBondContact O-N 3.38Å
176V61.9Low58.3Low71 Ų7196.1 Ų96.143%0.4350%0.499SS..Hα-helixtrans-69.2-42.9-179.8175.20000110.5E172 K178 M179 L180E172-V176 WeakPolarHBondContact O-CG2 3.44Å; E172-V176 PolarHBondContact O-N 3.19Å; V176-K178 VanDerWaalsContact C-N 3.31Å; V176-K178 PolarHBondContact O-N 2.87Å; V176-M179 PolarHBondContact O-N 3.49Å; V176-L180 HydrophobicContact CG1-CD1 3.93Å; V176-L180 HydrophobicContact CG1-CG 4.41Å; V176-L180 WeakPolarHBondContact O-CB 3.49Å; V176-L180 VanDerWaalsContact O-CG 3.29Å; V176-L180 WeakPolarHBondContact O-CG 3.5Å; V176-L180 PolarHBondContact O-N 2.86Å
177K62.4Low58.9Low102 Ų10299.6 Ų99.644%0.44352%0.515SS..Hα-helixtrans-61.7-36.5169.9176.2-171.3162.8-139.80111.4K173 E174 L180 S181K173-K177 WeakPolarHBondContact O-CA 3.48Å; K173-K177 WeakPolarHBondContact O-CB 3.49Å; K173-K177 PolarHBondContact O-N 2.66Å; E174-K177 WeakPolarHBondContact OE1-CD 3.3Å; E174-K177 IonicContact OE1-NZ 2.69Å; E174-K177 PolarHBondContact OE1-NZ 3.24Å; E174-K177 IonicContact OE2-NZ 2.64Å; E174-K177 PolarHBondContact OE2-NZ 2.88Å; K177-L180 PolarHBondContact O-N 2.92Å; K177-S181 WeakPolarHBondContact O-CA 3.32Å; K177-S181 WeakPolarHBondContact O-CB 3.31Å; K177-S181 PolarHBondContact O-N 2.88Å; K177-S181 PolarHBondContact O-OG 3.29Å
178K66.4Low59.7Low108 Ų10898.7 Ų98.747%0.4751%0.506SS..Hα-helixtrans-67.9-42.7175.6178.7173.9-178.5-64.80110.9E174 R175 V176 S181 E182E174-K178 WeakPolarHBondContact O-CA 3.45Å; E174-K178 WeakPolarHBondContact O-CB 3.43Å; E174-K178 PolarHBondContact O-N 3.46Å; R175-K178 PolarHBondContact O-N 2.94Å; V176-K178 VanDerWaalsContact C-N 3.31Å; V176-K178 PolarHBondContact O-N 2.87Å; K178-S181 WeakPolarHBondContact CA-OG 3.27Å; K178-S181 CarbonylContact O-C 3.5Å; K178-S181 PolarHBondContact O-N 2.89Å; K178-S181 PolarHBondContact O-OG 3.49Å; K178-E182 WeakPolarHBondContact CE-OE1 3.22Å; K178-E182 HydrophobicContact CG-CG 4.23Å; K178-E182 WeakPolarHBondContact CG-OE2 3.44Å; K178-E182 IonicContact NZ-OE1 3.51Å; K178-E182 PolarHBondContact NZ-OE1 3.5Å; K178-E182 IonicContact NZ-OE2 2.59Å; K178-E182 PolarHBondContact NZ-OE2 3.43Å; K178-E182 WeakPolarHBondContact O-CA 3.35Å; K178-E182 WeakPolarHBondContact O-CB 3.45Å; K178-E182 WeakPolarHBondContact O-CG 3.46Å; K178-E182 PolarHBondContact O-N 3.41Å
179M63.7Low61Low131 Ų13195.7 Ų95.765%0.64550%0.495SS*.Hα-helixtrans-66-42172.1-66.8-157.2-48.700112.5R175 V176 S181 E182 G183R175-M179 PolarHBondContact O-N 3.38Å; V176-M179 PolarHBondContact O-N 3.49Å; M179-S181 VanDerWaalsContact C-N 3.33Å; M179-E182 PolarHBondContact O-N 3.36Å; M179-G183 PolarHBondContact O-N 2.98Å
180L59.5Low62.2Low121 Ų12194 Ų9463%0.63449%0.486SS*.Hα-helixtrans-67-33.9176-72.2172000111.9V176 K177 S184V176-L180 HydrophobicContact CG1-CD1 3.93Å; V176-L180 HydrophobicContact CG1-CG 4.41Å; V176-L180 WeakPolarHBondContact O-CB 3.49Å; V176-L180 VanDerWaalsContact O-CG 3.29Å; V176-L180 WeakPolarHBondContact O-CG 3.5Å; V176-L180 PolarHBondContact O-N 2.86Å; K177-L180 PolarHBondContact O-N 2.92Å; L180-S184 WeakPolarHBondContact O-CB 3.45Å; L180-S184 PolarHBondContact O-N 2.89Å
181S58.2Low63.5Low52 Ų5299 Ų9936%0.36451%0.508SS..Hα-helixtrans-81.9-24.2173.870.90000112.6K177 K178 M179 M185K177-S181 WeakPolarHBondContact O-CA 3.32Å; K177-S181 WeakPolarHBondContact O-CB 3.31Å; K177-S181 PolarHBondContact O-N 2.88Å; K177-S181 PolarHBondContact O-OG 3.29Å; K178-S181 WeakPolarHBondContact CA-OG 3.27Å; K178-S181 CarbonylContact O-C 3.5Å; K178-S181 PolarHBondContact O-N 2.89Å; K178-S181 PolarHBondContact O-OG 3.49Å; M179-S181 VanDerWaalsContact C-N 3.33Å; S181-M185 WeakPolarHBondContact O-CA 3.37Å; S181-M185 WeakPolarHBondContact O-CB 3.48Å; S181-M185 WeakPolarHBondContact O-CG 3.25Å; S181-M185 PolarHBondContact O-N 3.44Å
182E58.4Low64.7Low101 Ų10198.9 Ų98.947%0.47251%0.507SS..Hα-helixtrans-77.2-37.9172.1-78.3174.5145.600110.2K178 M179 C186K178-E182 WeakPolarHBondContact CE-OE1 3.22Å; K178-E182 HydrophobicContact CG-CG 4.23Å; K178-E182 WeakPolarHBondContact CG-OE2 3.44Å; K178-E182 IonicContact NZ-OE1 3.51Å; K178-E182 PolarHBondContact NZ-OE1 3.5Å; K178-E182 IonicContact NZ-OE2 2.59Å; K178-E182 PolarHBondContact NZ-OE2 3.43Å; K178-E182 WeakPolarHBondContact O-CA 3.35Å; K178-E182 WeakPolarHBondContact O-CB 3.45Å; K178-E182 WeakPolarHBondContact O-CG 3.46Å; K178-E182 PolarHBondContact O-N 3.41Å; M179-E182 PolarHBondContact O-N 3.36Å; E182-C186 VanDerWaalsContact O-CB 3.24Å; E182-C186 WeakPolarHBondContact O-CB 3.25Å; E182-C186 PolarHBondContact O-N 2.85Å
183G59.8Low66.3Low40 Ų4099 Ų9941%0.41251%0.508SS..Hα-helixtrans-62.3-53.7166.500000111.6M179 M185 C186 E187M179-G183 PolarHBondContact O-N 2.98Å; G183-M185 PolarHBondContact O-N 3.21Å; G183-C186 WeakPolarHBondContact O-CA 3.46Å; G183-C186 VanDerWaalsContact O-CB 3.31Å; G183-C186 WeakPolarHBondContact O-CB 3.33Å; G183-C186 PolarHBondContact O-N 3.29Å; G183-C186 VanDerWaalsContact O-N 3.09Å; G183-E187 WeakPolarHBondContact O-CB 3.22Å; G183-E187 PolarHBondContact O-N 2.94Å
184S57.9Low67.7Low58 Ų5897.1 Ų97.141%0.40650%0.504SS..Hα-helixtrans-66.2-31.4178.71770000113.2L180 E187 L188L180-S184 WeakPolarHBondContact O-CB 3.45Å; L180-S184 PolarHBondContact O-N 2.89Å; S184-E187 PolarHBondContact O-N 2.87Å; S184-L188 VanDerWaalsContact O-CB 3.3Å; S184-L188 WeakPolarHBondContact O-CB 3.4Å; S184-L188 PolarHBondContact O-N 3.2Å
185M56.8Low69.1Low108 Ų10899.6 Ų99.653%0.53251%0.514SS..Hα-helixtrans-74.4-30.2170.7-72.2-87.4-65.900111.8S181 G183 N189S181-M185 WeakPolarHBondContact O-CA 3.37Å; S181-M185 WeakPolarHBondContact O-CB 3.48Å; S181-M185 WeakPolarHBondContact O-CG 3.25Å; S181-M185 PolarHBondContact O-N 3.44Å; G183-M185 PolarHBondContact O-N 3.21Å; M185-N189 WeakPolarHBondContact O-CB 3.39Å; M185-N189 PolarHBondContact O-N 2.88Å; M185-N189 PolarHBondContact O-ND2 2.98Å; M185-N189 PolarHBondContact O-OD1 3.04Å
186C61.6Low69.9Low69 Ų6995.7 Ų95.747%0.46651%0.508SS..Hα-helixtrans-64.9-44.4169.5-166.90000110.1E182 G183 N189 L190E182-C186 VanDerWaalsContact O-CB 3.24Å; E182-C186 WeakPolarHBondContact O-CB 3.25Å; E182-C186 PolarHBondContact O-N 2.85Å; G183-C186 WeakPolarHBondContact O-CA 3.46Å; G183-C186 VanDerWaalsContact O-CB 3.31Å; G183-C186 WeakPolarHBondContact O-CB 3.33Å; G183-C186 PolarHBondContact O-N 3.29Å; G183-C186 VanDerWaalsContact O-N 3.09Å; C186-N189 PolarHBondContact O-N 2.88Å; C186-L190 WeakPolarHBondContact O-CB 3.49Å; C186-L190 VanDerWaalsContact O-CG 3.27Å; C186-L190 WeakPolarHBondContact O-CG 3.34Å; C186-L190 PolarHBondContact O-N 2.95Å
187E64.4Low71.3Confident138 Ų13897.5 Ų97.565%0.64552%0.515SS*.Hα-helixtrans-61.9-46.8174.9-160.4164.7-144.400111.7G183 S184 L190 E191G183-E187 WeakPolarHBondContact O-CB 3.22Å; G183-E187 PolarHBondContact O-N 2.94Å; S184-E187 PolarHBondContact O-N 2.87Å; E187-L190 PolarHBondContact O-N 2.95Å; E187-E191 VanDerWaalsContact O-CB 3.31Å; E187-E191 WeakPolarHBondContact O-CB 3.43Å; E187-E191 PolarHBondContact O-N 3.4Å
188L68.1Low72.7Confident92 Ų9298 Ų9848%0.48252%0.519SS..Hα-helixtrans-64.7-36.5174.1-112.5154000113.3S184 A192S184-L188 VanDerWaalsContact O-CB 3.3Å; S184-L188 WeakPolarHBondContact O-CB 3.4Å; S184-L188 PolarHBondContact O-N 3.2Å; L188-A192 WeakPolarHBondContact O-CB 3.42Å; L188-A192 PolarHBondContact O-N 2.83Å
189N72.9Confident73.9Confident102 Ų10296 Ų9655%0.54551%0.513SS..Hα-helixtrans-68.2-42175.6-74.7-18.2000110.6M185 C186 A192 E193M185-N189 WeakPolarHBondContact O-CB 3.39Å; M185-N189 PolarHBondContact O-N 2.88Å; M185-N189 PolarHBondContact O-ND2 2.98Å; M185-N189 PolarHBondContact O-OD1 3.04Å; C186-N189 PolarHBondContact O-N 2.88Å; N189-A192 PolarHBondContact O-N 3.36Å; N189-E193 VanDerWaalsContact O-CB 3.28Å; N189-E193 WeakPolarHBondContact O-CB 3.47Å; N189-E193 PolarHBondContact O-N 3.49Å
190L79.4Confident75.3Confident102 Ų10292.4 Ų92.453%0.53450%0.501SS..Hα-helixtrans-67.8-37.9175.2-72.1168.2000111.8C186 E187 L194C186-L190 WeakPolarHBondContact O-CB 3.49Å; C186-L190 VanDerWaalsContact O-CG 3.27Å; C186-L190 WeakPolarHBondContact O-CG 3.34Å; C186-L190 PolarHBondContact O-N 2.95Å; E187-L190 PolarHBondContact O-N 2.95Å; L190-L194 WeakPolarHBondContact O-CB 3.47Å; L190-L194 PolarHBondContact O-N 3.4Å
191E80.9Confident76.9Confident130 Ų13091.3 Ų91.361%0.60750%0.496SS*.Hα-helixtrans-66.7-41.7174.3-173.2173.3-144.700111.4E187 L194 F195E187-E191 VanDerWaalsContact O-CB 3.31Å; E187-E191 WeakPolarHBondContact O-CB 3.43Å; E187-E191 PolarHBondContact O-N 3.4Å; E191-L194 PolarHBondContact O-N 2.99Å; E191-F195 WeakPolarHBondContact O-CB 3.38Å; E191-F195 PolarHBondContact O-N 3.14Å
192A81.9Confident78.6Confident51 Ų5191.7 Ų91.742%0.42150%0.502SS..Hα-helixtrans-68.9-37.1174.600000113L188 N189 T196L188-A192 WeakPolarHBondContact O-CB 3.42Å; L188-A192 PolarHBondContact O-N 2.83Å; N189-A192 PolarHBondContact O-N 3.36Å; A192-T196 WeakPolarHBondContact O-CB 3.34Å; A192-T196 PolarHBondContact O-N 3.31Å; A192-T196 PolarHBondContact O-OG1 2.84Å
193E88.1Confident80.4Confident114 Ų11492.9 Ų92.953%0.53351%0.506SS..Hα-helixtrans-66.5-44172.4-176.2169.4-156.700110.6N189 F195 T196 L197N189-E193 VanDerWaalsContact O-CB 3.28Å; N189-E193 WeakPolarHBondContact O-CB 3.47Å; N189-E193 PolarHBondContact O-N 3.49Å; E193-F195 PolarHBondContact O-N 2.83Å; E193-T196 CarbonylContact O-C 3.6Å; E193-T196 PolarHBondContact O-N 3.35Å; E193-L197 HydrophobicContact CG-CD1 4.1Å; E193-L197 HydrophobicContact CG-CG 4.49Å; E193-L197 WeakPolarHBondContact O-CB 3.44Å; E193-L197 VanDerWaalsContact O-CG 3.29Å; E193-L197 WeakPolarHBondContact O-CG 3.43Å; E193-L197 PolarHBondContact O-N 2.92Å
194L87.7Confident82.1Confident96 Ų9696.4 Ų96.450%0.50352%0.515SS..Hα-helixtrans-60.9-42.7174.8-175.1154.6000111.6L190 E191 L197 Q198L190-L194 WeakPolarHBondContact O-CB 3.47Å; L190-L194 PolarHBondContact O-N 3.4Å; E191-L194 PolarHBondContact O-N 2.99Å; L194-L197 PolarHBondContact O-N 3.29Å; L194-Q198 HydrophobicContact CD2-CG 4.24Å; L194-Q198 WeakPolarHBondContact O-CB 3.38Å; L194-Q198 WeakPolarHBondContact O-CG 3.35Å; L194-Q198 PolarHBondContact O-N 3.39Å
195F89.6Confident83.9Confident140 Ų14097.7 Ų97.761%0.61452%0.52SS*.Hα-helixtrans-65.1-40.4174.1-175.2-95.2000112E191 E193 L197 Q198 D199E191-F195 WeakPolarHBondContact O-CB 3.38Å; E191-F195 PolarHBondContact O-N 3.14Å; E193-F195 PolarHBondContact O-N 2.83Å; F195-L197 VanDerWaalsContact C-N 3.35Å; F195-Q198 PolarHBondContact O-N 2.98Å; F195-D199 WeakPolarHBondContact O-CB 3.35Å; F195-D199 PolarHBondContact O-N 3.13Å
196T88.9Confident85.7Confident84 Ų8495 Ų9552%0.51552%0.515SS..Hα-helixtrans-65.4-37.8175.7-57.50000111.5A192 E193 S200A192-T196 WeakPolarHBondContact O-CB 3.34Å; A192-T196 PolarHBondContact O-N 3.31Å; A192-T196 PolarHBondContact O-OG1 2.84Å; E193-T196 CarbonylContact O-C 3.6Å; E193-T196 PolarHBondContact O-N 3.35Å; T196-S200 WeakPolarHBondContact O-CB 3.31Å; T196-S200 PolarHBondContact O-N 2.91Å
197L89.8Confident87.2Confident108 Ų10894.2 Ų94.257%0.56551%0.513SS*.Hα-helixtrans-69.9-35173.4-71.5169.6000111.9E193 L194 F195 N201E193-L197 HydrophobicContact CG-CD1 4.1Å; E193-L197 HydrophobicContact CG-CG 4.49Å; E193-L197 WeakPolarHBondContact O-CB 3.44Å; E193-L197 VanDerWaalsContact O-CG 3.29Å; E193-L197 WeakPolarHBondContact O-CG 3.43Å; E193-L197 PolarHBondContact O-N 2.92Å; L194-L197 PolarHBondContact O-N 3.29Å; F195-L197 VanDerWaalsContact C-N 3.35Å; L197-N201 WeakPolarHBondContact O-CB 3.35Å; L197-N201 PolarHBondContact O-N 3.24Å
198Q91.9Very high88.7Confident113 Ų11392.8 Ų92.853%0.52851%0.509SS..Hα-helixtrans-66-46172.5-77.5178.1-11.200112.1L194 F195 N201 A202L194-Q198 HydrophobicContact CD2-CG 4.24Å; L194-Q198 WeakPolarHBondContact O-CB 3.38Å; L194-Q198 WeakPolarHBondContact O-CG 3.35Å; L194-Q198 PolarHBondContact O-N 3.39Å; F195-Q198 PolarHBondContact O-N 2.98Å; Q198-N201 PolarHBondContact O-N 2.94Å; Q198-A202 WeakPolarHBondContact O-CB 3.36Å; Q198-A202 PolarHBondContact O-N 3.22Å
199D92.1Very high90.1Very high66 Ų6695 Ų9535%0.35352%0.517SS..Hα-helixtrans-61.8-44174.3165.272.9000111.9F195 A202 K203F195-D199 WeakPolarHBondContact O-CB 3.35Å; F195-D199 PolarHBondContact O-N 3.13Å; D199-A202 PolarHBondContact O-N 3.4Å; D199-K203 WeakPolarHBondContact O-CB 3.41Å; D199-K203 WeakPolarHBondContact O-CD 3.37Å; D199-K203 WeakPolarHBondContact O-CG 3.45Å; D199-K203 PolarHBondContact O-N 2.87Å; D199-K203 WeakPolarHBondContact OD1-CE 3.47Å; D199-K203 IonicContact OD1-NZ 2.64Å; D199-K203 PolarHBondContact OD1-NZ 3.32Å; D199-K203 IonicContact OD2-NZ 2.67Å; D199-K203 PolarHBondContact OD2-NZ 3.27Å
200S92.5Very high91.1Very high56 Ų5696.5 Ų96.539%0.39252%0.521SS..Hα-helixtrans-60.2-44.4173.5-175.10000112.2T196 K203 L204T196-S200 WeakPolarHBondContact O-CB 3.31Å; T196-S200 PolarHBondContact O-N 2.91Å; S200-K203 PolarHBondContact O-N 3.37Å; S200-L204 WeakPolarHBondContact O-CG 3.42Å; S200-L204 PolarHBondContact O-N 3.36Å
201N93.6Very high91.8Very high98 Ų9894.1 Ų94.152%0.52452%0.516SS..Hα-helixtrans-66.2-42.1177-167.20.1000111.6L197 Q198 K203 L204 V205L197-N201 WeakPolarHBondContact O-CB 3.35Å; L197-N201 PolarHBondContact O-N 3.24Å; Q198-N201 PolarHBondContact O-N 2.94Å; N201-K203 VanDerWaalsContact C-N 3.3Å; N201-K203 PolarHBondContact O-N 3.01Å; N201-L204 PolarHBondContact O-N 2.78Å; N201-L204 VanDerWaalsContact O-N 3.17Å; N201-V205 WeakPolarHBondContact O-CG2 3.48Å; N201-V205 PolarHBondContact O-N 3.26Å
202A94.8Very high92.5Very high60 Ų6092.2 Ų92.250%0.49651%0.51SS..Hα-helixtrans-59.7-40173.800000112.1Q198 D199 V205 A206Q198-A202 WeakPolarHBondContact O-CB 3.36Å; Q198-A202 PolarHBondContact O-N 3.22Å; D199-A202 PolarHBondContact O-N 3.4Å; A202-V205 PolarHBondContact O-N 3.18Å; A202-A206 WeakPolarHBondContact O-CB 3.49Å; A202-A206 PolarHBondContact O-N 2.64Å
203K95.1Very high93.2Very high125 Ų12592.5 Ų92.554%0.54351%0.509SS..Hα-helixtrans-65.7-40.1173.7-74.7162.5177.3163.80112.7D199 S200 N201 A206 A207D199-K203 WeakPolarHBondContact O-CB 3.41Å; D199-K203 WeakPolarHBondContact O-CD 3.37Å; D199-K203 WeakPolarHBondContact O-CG 3.45Å; D199-K203 PolarHBondContact O-N 2.87Å; D199-K203 WeakPolarHBondContact OD1-CE 3.47Å; D199-K203 IonicContact OD1-NZ 2.64Å; D199-K203 PolarHBondContact OD1-NZ 3.32Å; D199-K203 IonicContact OD2-NZ 2.67Å; D199-K203 PolarHBondContact OD2-NZ 3.27Å; S200-K203 PolarHBondContact O-N 3.37Å; N201-K203 VanDerWaalsContact C-N 3.3Å; N201-K203 PolarHBondContact O-N 3.01Å; K203-A206 PolarHBondContact O-N 2.88Å; K203-A207 WeakPolarHBondContact O-CB 3.27Å; K203-A207 PolarHBondContact O-N 3.36Å
204L95.4Very high93.5Very high115 Ų11589 Ų8960%0.60250%0.497SS*.Hα-helixtrans-65.4-40.6174.2-72.3170.4000112.3S200 N201 A207 L208S200-L204 WeakPolarHBondContact O-CG 3.42Å; S200-L204 PolarHBondContact O-N 3.36Å; N201-L204 PolarHBondContact O-N 2.78Å; N201-L204 VanDerWaalsContact O-N 3.17Å; L204-A207 PolarHBondContact O-N 2.67Å; L204-L208 VanDerWaalsContact O-CB 3.29Å; L204-L208 WeakPolarHBondContact O-CB 3.33Å; L204-L208 PolarHBondContact O-N 3.08Å
205V96.1Very high94Very high84 Ų8487.7 Ų87.751%0.50949%0.493SS..Hα-helixtrans-63.9-43.7174.5170.90000111.1N201 A202 L208 Q209N201-V205 WeakPolarHBondContact O-CG2 3.48Å; N201-V205 PolarHBondContact O-N 3.26Å; A202-V205 PolarHBondContact O-N 3.18Å; V205-L208 PolarHBondContact O-N 2.87Å; V205-Q209 WeakPolarHBondContact O-CB 3.16Å; V205-Q209 PolarHBondContact O-N 2.92Å
206A94.6Very high94.3Very high53 Ų5386.1 Ų86.144%0.43849%0.487SS..Hα-helixtrans-61.9-47.1175.800000112A202 K203 L208 Q209 E210A202-A206 WeakPolarHBondContact O-CB 3.49Å; A202-A206 PolarHBondContact O-N 2.64Å; K203-A206 PolarHBondContact O-N 2.88Å; A206-L208 VanDerWaalsContact C-N 3.32Å; A206-L208 PolarHBondContact O-N 3.32Å; A206-Q209 PolarHBondContact O-N 2.82Å; A206-E210 WeakPolarHBondContact O-CB 3.47Å; A206-E210 PolarHBondContact O-N 3.15Å
207A93.9Very high94.7Very high51 Ų5187.9 Ų87.942%0.42149%0.49SS..Hα-helixtrans-63.5-35.317700000112.6K203 L204 E210 A211K203-A207 WeakPolarHBondContact O-CB 3.27Å; K203-A207 PolarHBondContact O-N 3.36Å; L204-A207 PolarHBondContact O-N 2.67Å; A207-E210 PolarHBondContact O-N 3.03Å; A207-A211 VanDerWaalsContact O-CB 3.3Å; A207-A211 WeakPolarHBondContact O-CB 3.48Å; A207-A211 PolarHBondContact O-N 2.95Å
208L95.7Very high95Very high109 Ų10991.2 Ų91.257%0.57150%0.495SS*.Hα-helixtrans-69.2-38.2174.5-174.2150.7000111.7L204 V205 A206 N212L204-L208 VanDerWaalsContact O-CB 3.29Å; L204-L208 WeakPolarHBondContact O-CB 3.33Å; L204-L208 PolarHBondContact O-N 3.08Å; V205-L208 PolarHBondContact O-N 2.87Å; A206-L208 VanDerWaalsContact C-N 3.32Å; A206-L208 PolarHBondContact O-N 3.32Å; L208-N212 WeakPolarHBondContact CD2-ND2 3.22Å; L208-N212 WeakPolarHBondContact O-CB 3.11Å; L208-N212 PolarHBondContact O-N 3.31Å; L208-N212 PolarHBondContact O-ND2 2.83Å
209Q96.1Very high95.2Very high138 Ų13891.2 Ų91.265%0.64549%0.493SS*.Hα-helixtrans-66.8-39.6173.5-176.1175.6-12.900112V205 A206 S213V205-Q209 WeakPolarHBondContact O-CB 3.16Å; V205-Q209 PolarHBondContact O-N 2.92Å; A206-Q209 PolarHBondContact O-N 2.82Å; Q209-S213 PolarHBondContact O-N 2.93Å
210E95.5Very high95.5Very high133 Ų13394.2 Ų94.262%0.62150%0.503SS*.Hα-helixtrans-66.1-43.1174.2-175.2173.5-157.900112A206 A207 S213 S214A206-E210 WeakPolarHBondContact O-CB 3.47Å; A206-E210 PolarHBondContact O-N 3.15Å; A207-E210 PolarHBondContact O-N 3.03Å; E210-S213 PolarHBondContact O-N 2.99Å; E210-S213 PolarHBondContact O-OG 3.03Å; E210-S214 WeakPolarHBondContact O-CB 3.38Å; E210-S214 PolarHBondContact O-N 2.83Å; E210-S214 PolarHBondContact O-OG 3.41Å
211A94.3Very high95.6Very high52 Ų5295.6 Ų95.643%0.4350%0.503SS..Hα-helixtrans-62.2-43.8174.800000111.9A207 S214 V215A207-A211 VanDerWaalsContact O-CB 3.3Å; A207-A211 WeakPolarHBondContact O-CB 3.48Å; A207-A211 PolarHBondContact O-N 2.95Å; A211-S214 WeakPolarHBondContact O-CB 3.22Å; A211-S214 PolarHBondContact O-N 2.56Å; A211-V215 WeakPolarHBondContact O-CG2 3.41Å; A211-V215 PolarHBondContact O-N 2.67Å
212N95.1Very high95.7Very high90 Ų9095.7 Ų95.748%0.48150%0.503SS..Hα-helixtrans-63.1-44.1175-78.4-21.8000112L208 S214 V215 E216L208-N212 WeakPolarHBondContact CD2-ND2 3.22Å; L208-N212 WeakPolarHBondContact O-CB 3.11Å; L208-N212 PolarHBondContact O-N 3.31Å; L208-N212 PolarHBondContact O-ND2 2.83Å; N212-S214 VanDerWaalsContact C-N 3.29Å; N212-S214 PolarHBondContact O-N 3.41Å; N212-V215 PolarHBondContact O-N 2.77Å; N212-E216 PolarHBondContact O-N 3.16Å; N212-E216 VanDerWaalsContact O-N 3.07Å
213S95.8Very high95.8Very high57 Ų5795.2 Ų95.240%0.39950%0.499SS..Hα-helixtrans-65.1-35.2178.177.30000112Q209 E210 E216 Q217Q209-S213 PolarHBondContact O-N 2.93Å; E210-S213 PolarHBondContact O-N 2.99Å; E210-S213 PolarHBondContact O-OG 3.03Å; S213-E216 PolarHBondContact O-N 3.46Å; S213-Q217 WeakPolarHBondContact O-CG 3.49Å; S213-Q217 PolarHBondContact O-N 2.91Å; S213-Q217 VanDerWaalsContact O-N 3.09Å
214S95.9Very high95.8Very high40 Ų4093.7 Ų93.728%0.2849%0.494SS..Hα-helixtrans-63-45171.8-57.80000111.7E210 A211 N212 E216 Q217 W218E210-S214 WeakPolarHBondContact O-CB 3.38Å; E210-S214 PolarHBondContact O-N 2.83Å; E210-S214 PolarHBondContact O-OG 3.41Å; A211-S214 WeakPolarHBondContact O-CB 3.22Å; A211-S214 PolarHBondContact O-N 2.56Å; N212-S214 VanDerWaalsContact C-N 3.29Å; N212-S214 PolarHBondContact O-N 3.41Å; S214-E216 VanDerWaalsContact C-N 3.34Å; S214-E216 PolarHBondContact O-N 2.89Å; S214-Q217 WeakPolarHBondContact O-CB 3.21Å; S214-Q217 PolarHBondContact O-N 2.73Å; S214-Q217 VanDerWaalsContact O-N 3.14Å; S214-W218 PolarHBondContact O-N 3.29Å
215V97.6Very high95.7Very high69 Ų6996.3 Ų96.342%0.41850%0.497SS..Hα-helixtrans-60.2-40.8176.9166.20000111.9A211 N212 W218 K219A211-V215 WeakPolarHBondContact O-CG2 3.41Å; A211-V215 PolarHBondContact O-N 2.67Å; N212-V215 PolarHBondContact O-N 2.77Å; V215-W218 PolarHBondContact O-N 2.96Å; V215-K219 HydrophobicContact CG1-CD 4.25Å; V215-K219 WeakPolarHBondContact O-CG 3.35Å; V215-K219 PolarHBondContact O-N 3.23Å
216E96.4Very high95.7Very high107 Ų10797.4 Ų97.450%0.550%0.497SS..Hα-helixtrans-68.1-33.4174.7-59.6-46.2129.600113N212 S213 S214 K219 K220N212-E216 PolarHBondContact O-N 3.16Å; N212-E216 VanDerWaalsContact O-N 3.07Å; S213-E216 PolarHBondContact O-N 3.46Å; S214-E216 VanDerWaalsContact C-N 3.34Å; S214-E216 PolarHBondContact O-N 2.89Å; E216-K219 VanDerWaalsContact CD-NZ 3.31Å; E216-K219 PolarHBondContact O-N 2.96Å; E216-K219 IonicContact OE1-NZ 3.2Å; E216-K219 PolarHBondContact OE1-NZ 3.04Å; E216-K219 WeakPolarHBondContact OE2-CD 3.23Å; E216-K219 IonicContact OE2-NZ 2.78Å; E216-K219 PolarHBondContact OE2-NZ 2.95Å; E216-K220 PolarHBondContact O-N 3.15Å
217Q96.8Very high95.8Very high122 Ų122101.8 Ų101.857%0.5751%0.508SS*.Hα-helixtrans-64.7-45.8171.9-70.3173.722.700111.9S213 S214 K219 K220 Q221S213-Q217 WeakPolarHBondContact O-CG 3.49Å; S213-Q217 PolarHBondContact O-N 2.91Å; S213-Q217 VanDerWaalsContact O-N 3.09Å; S214-Q217 WeakPolarHBondContact O-CB 3.21Å; S214-Q217 PolarHBondContact O-N 2.73Å; S214-Q217 VanDerWaalsContact O-N 3.14Å; Q217-K219 VanDerWaalsContact C-N 3.35Å; Q217-K219 PolarHBondContact O-N 2.98Å; Q217-K220 PolarHBondContact O-N 3.21Å; Q217-Q221 PolarHBondContact O-N 3.34Å
218W95.8Very high95.8Very high177 Ų177103.2 Ų103.267%0.6751%0.506SS*.Hα-helixtrans-62.8-39176.3-70.9115.4000112.4S214 V215 Q221 L222S214-W218 PolarHBondContact O-N 3.29Å; V215-W218 PolarHBondContact O-N 2.96Å; W218-Q221 PolarHBondContact O-N 2.92Å; W218-L222 WeakPolarHBondContact O-CB 3.36Å; W218-L222 PolarHBondContact O-N 2.59Å
219K96.9Very high95.7Very high113 Ų113100.8 Ų100.849%0.49150%0.496SS..Hα-helixtrans-60.7-43.7172.3-76166.6174.3176.40112.1V215 E216 Q217 L222 A223V215-K219 HydrophobicContact CG1-CD 4.25Å; V215-K219 WeakPolarHBondContact O-CG 3.35Å; V215-K219 PolarHBondContact O-N 3.23Å; E216-K219 VanDerWaalsContact CD-NZ 3.31Å; E216-K219 PolarHBondContact O-N 2.96Å; E216-K219 IonicContact OE1-NZ 3.2Å; E216-K219 PolarHBondContact OE1-NZ 3.04Å; E216-K219 WeakPolarHBondContact OE2-CD 3.23Å; E216-K219 IonicContact OE2-NZ 2.78Å; E216-K219 PolarHBondContact OE2-NZ 2.95Å; Q217-K219 VanDerWaalsContact C-N 3.35Å; Q217-K219 PolarHBondContact O-N 2.98Å; K219-L222 PolarHBondContact O-N 3.01Å; K219-A223 PolarHBondContact O-N 3.05Å
220K97.1Very high95.6Very high129 Ų12997.9 Ų97.956%0.56149%0.485SS*.Hα-helixtrans-63.4-46.2178.5-173.9173-176.3-69.80111.6E216 Q217 L222 A223 E224E216-K220 PolarHBondContact O-N 3.15Å; Q217-K220 PolarHBondContact O-N 3.21Å; K220-L222 VanDerWaalsContact C-N 3.34Å; K220-L222 PolarHBondContact O-N 3.29Å; K220-A223 PolarHBondContact O-N 3.01Å; K220-E224 IonicContact NZ-OE1 3.13Å; K220-E224 PolarHBondContact NZ-OE1 3.04Å; K220-E224 WeakPolarHBondContact O-CG 3.4Å; K220-E224 PolarHBondContact O-N 2.9Å
221Q96Very high95.6Very high85 Ų8598.3 Ų98.340%0.39748%0.481SS..Hα-helixtrans-61.6-40.6174.9-71.8-179.7-11.100112.2Q217 W218 A223 E224 Y225Q217-Q221 PolarHBondContact O-N 3.34Å; W218-Q221 PolarHBondContact O-N 2.92Å; Q221-A223 VanDerWaalsContact C-N 3.32Å; Q221-A223 PolarHBondContact O-N 3.34Å; Q221-E224 PolarHBondContact O-N 3.14Å; Q221-Y225 WeakPolarHBondContact O-CD2 3.46Å; Q221-Y225 PolarHBondContact O-N 3.13Å
222L96.1Very high95.6Very high100 Ų100100 Ų10052%0.52448%0.482SS..Hα-helixtrans-61.9-39.8176.2-179.263.2000112W218 K219 K220 Y225 Q226W218-L222 WeakPolarHBondContact O-CB 3.36Å; W218-L222 PolarHBondContact O-N 2.59Å; K219-L222 PolarHBondContact O-N 3.01Å; K220-L222 VanDerWaalsContact C-N 3.34Å; K220-L222 PolarHBondContact O-N 3.29Å; L222-Y225 PolarHBondContact O-N 2.65Å; L222-Q226 WeakPolarHBondContact O-CB 3.3Å; L222-Q226 VanDerWaalsContact O-CG 3.24Å; L222-Q226 WeakPolarHBondContact O-CG 3.37Å; L222-Q226 PolarHBondContact O-N 3.06Å
223A95.3Very high95.5Very high50 Ų50103 Ų10341%0.41349%0.487SS..Hα-helixtrans-65.7-42.817500000112.1K219 K220 Q221 Y225 Q226 E227K219-A223 PolarHBondContact O-N 3.05Å; K220-A223 PolarHBondContact O-N 3.01Å; Q221-A223 VanDerWaalsContact C-N 3.32Å; Q221-A223 PolarHBondContact O-N 3.34Å; A223-Y225 PolarHBondContact O-N 3Å; A223-Q226 WeakPolarHBondContact O-CB 3.35Å; A223-Q226 PolarHBondContact O-N 2.87Å; A223-Q226 VanDerWaalsContact O-N 3.16Å; A223-E227 PolarHBondContact O-N 2.88Å
224E95.7Very high95.4Very high93 Ų93105.5 Ų105.544%0.43550%0.496SS..Hα-helixtrans-61.4-41.3175.5-70.8166.817500112K220 Q221 E228K220-E224 IonicContact NZ-OE1 3.13Å; K220-E224 PolarHBondContact NZ-OE1 3.04Å; K220-E224 WeakPolarHBondContact O-CG 3.4Å; K220-E224 PolarHBondContact O-N 2.9Å; Q221-E224 PolarHBondContact O-N 3.14Å; E224-E228 PolarHBondContact O-N 3.11Å; E224-E228 VanDerWaalsContact O-N 3.1Å
225Y93.8Very high95.2Very high170 Ų170107.9 Ų107.967%0.66750%0.502SS*.Hα-helixtrans-69-31.4173.7-78-59.5000113.3Q221 L222 A223 T229Q221-Y225 WeakPolarHBondContact O-CD2 3.46Å; Q221-Y225 PolarHBondContact O-N 3.13Å; L222-Y225 PolarHBondContact O-N 2.65Å; A223-Y225 PolarHBondContact O-N 3Å; Y225-T229 VanDerWaalsContact O-CB 3.28Å; Y225-T229 WeakPolarHBondContact O-CB 3.09Å; Y225-T229 PolarHBondContact O-N 3.2Å; Y225-T229 VanDerWaalsContact O-N 3.08Å; Y225-T229 PolarHBondContact O-OG1 2.89Å
226Q95.9Very high94.6Very high108 Ų108108.3 Ų108.351%0.50551%0.505SS..Hα-helixtrans-68.3-47.8173.7-76.8169-10.500110.9L222 A223 E228 T229 D230L222-Q226 WeakPolarHBondContact O-CB 3.3Å; L222-Q226 VanDerWaalsContact O-CG 3.24Å; L222-Q226 WeakPolarHBondContact O-CG 3.37Å; L222-Q226 PolarHBondContact O-N 3.06Å; A223-Q226 WeakPolarHBondContact O-CB 3.35Å; A223-Q226 PolarHBondContact O-N 2.87Å; A223-Q226 VanDerWaalsContact O-N 3.16Å; Q226-E228 PolarHBondContact O-N 2.89Å; Q226-T229 WeakPolarHBondContact O-CB 3.43Å; Q226-T229 PolarHBondContact O-N 3.05Å; Q226-T229 VanDerWaalsContact O-N 3.12Å; Q226-D230 PolarHBondContact O-N 3Å
227E96.1Very high94.2Very high144 Ų144105.7 Ų105.767%0.67350%0.501SS*.Hα-helixtrans-58-48.4177.8-173.3177.9172.500112A223 T229 D230 R231A223-E227 PolarHBondContact O-N 2.88Å; E227-T229 VanDerWaalsContact C-N 3.31Å; E227-T229 PolarHBondContact O-N 2.94Å; E227-D230 PolarHBondContact O-N 2.97Å; E227-R231 WeakPolarHBondContact O-CB 3.49Å; E227-R231 PolarHBondContact O-N 2.83Å
228E94.4Very high93.5Very high81 Ų81105 Ų10538%0.37950%0.501SS..Hα-helixtrans-67.5-31.6176.8-172.266.4-173.600112.1E224 Q226 R231 L232E224-E228 PolarHBondContact O-N 3.11Å; E224-E228 VanDerWaalsContact O-N 3.1Å; Q226-E228 PolarHBondContact O-N 2.89Å; E228-R231 IonicContact OE1-NH1 2.77Å; E228-R231 PolarHBondContact OE1-NH1 2.72Å; E228-R231 WeakPolarHBondContact OE2-CD 3.37Å; E228-R231 IonicContact OE2-CZ 3.98Å; E228-R231 IonicContact OE2-NE 2.65Å; E228-R231 IonicContact OE2-NH1 3.95Å; E228-R231 PolarHBondContact OE2-NH1 2.8Å; E228-L232 HydrophobicContact CG-CD1 4.24Å; E228-L232 WeakPolarHBondContact O-CB 3.48Å; E228-L232 WeakPolarHBondContact O-CG 3.34Å; E228-L232 PolarHBondContact O-N 2.86Å
229T92.4Very high92.8Very high59 Ų59101.7 Ų101.736%0.36250%0.497SS..Hα-helixtrans-66.3-43.9174.6-61.70000111.7Y225 Q226 E227 L232 R233Y225-T229 VanDerWaalsContact O-CB 3.28Å; Y225-T229 WeakPolarHBondContact O-CB 3.09Å; Y225-T229 PolarHBondContact O-N 3.2Å; Y225-T229 VanDerWaalsContact O-N 3.08Å; Y225-T229 PolarHBondContact O-OG1 2.89Å; Q226-T229 WeakPolarHBondContact O-CB 3.43Å; Q226-T229 PolarHBondContact O-N 3.05Å; Q226-T229 VanDerWaalsContact O-N 3.12Å; E227-T229 VanDerWaalsContact C-N 3.31Å; E227-T229 PolarHBondContact O-N 2.94Å; T229-L232 PolarHBondContact O-N 2.95Å; T229-R233 WeakPolarHBondContact O-CG 3.49Å; T229-R233 PolarHBondContact O-N 2.9Å
230D93.9Very high92Very high76 Ų76102.8 Ų102.841%0.40650%0.503SS..Hα-helixtrans-70-41.1178.2-72.9-33.6000111.4Q226 E227 L232 R233 D234Q226-D230 PolarHBondContact O-N 3Å; E227-D230 PolarHBondContact O-N 2.97Å; D230-L232 VanDerWaalsContact C-N 3.25Å; D230-L232 PolarHBondContact O-N 2.56Å; D230-R233 WeakPolarHBondContact O-CA 3.42Å; D230-R233 WeakPolarHBondContact O-CB 3.17Å; D230-R233 PolarHBondContact O-N 2.84Å; D230-R233 WeakPolarHBondContact OD1-CD 3.24Å; D230-R233 IonicContact OD1-CZ 2.69Å; D230-R233 IonicContact OD1-NE 3.63Å; D230-R233 IonicContact OD1-NH1 2.67Å; D230-R233 PolarHBondContact OD1-NH1 3.41Å; D230-D234 PolarHBondContact O-N 2.85Å
231R96.5Very high91.1Very high143 Ų14399.5 Ų99.554%0.5450%0.5SS..Hα-helixtrans-59.5-32.2171.9-173.9-172.4172.8-142.40.5113.4E227 E228 Q235E227-R231 WeakPolarHBondContact O-CB 3.49Å; E227-R231 PolarHBondContact O-N 2.83Å; E228-R231 IonicContact OE1-NH1 2.77Å; E228-R231 PolarHBondContact OE1-NH1 2.72Å; E228-R231 WeakPolarHBondContact OE2-CD 3.37Å; E228-R231 IonicContact OE2-CZ 3.98Å; E228-R231 IonicContact OE2-NE 2.65Å; E228-R231 IonicContact OE2-NH1 3.95Å; E228-R231 PolarHBondContact OE2-NH1 2.8Å; R231-Q235 WeakPolarHBondContact O-CG 3.48Å; R231-Q235 PolarHBondContact O-N 2.9Å; R231-Q235 PolarHBondContact O-NE2 2.86Å
232L93.6Very high89.8Confident86 Ų86101.3 Ų101.345%0.4551%0.509SS..Hα-helixtrans-76.6-33.7173-75169.2000112.2E228 T229 D230 Q235 V236E228-L232 HydrophobicContact CG-CD1 4.24Å; E228-L232 WeakPolarHBondContact O-CB 3.48Å; E228-L232 WeakPolarHBondContact O-CG 3.34Å; E228-L232 PolarHBondContact O-N 2.86Å; T229-L232 PolarHBondContact O-N 2.95Å; D230-L232 VanDerWaalsContact C-N 3.25Å; D230-L232 PolarHBondContact O-N 2.56Å; L232-Q235 PolarHBondContact O-N 2.92Å; L232-V236 WeakPolarHBondContact O-CG2 3.46Å; L232-V236 PolarHBondContact O-N 3.48Å
233R93.8Very high88.2Confident154 Ų154104.2 Ų104.258%0.58152%0.524SS*.Hα-helixtrans-63.1-44.9171.7-70.8165.5178.6156.41.1111.2T229 D230 V236 A237T229-R233 WeakPolarHBondContact O-CG 3.49Å; T229-R233 PolarHBondContact O-N 2.9Å; D230-R233 WeakPolarHBondContact O-CA 3.42Å; D230-R233 WeakPolarHBondContact O-CB 3.17Å; D230-R233 PolarHBondContact O-N 2.84Å; D230-R233 WeakPolarHBondContact OD1-CD 3.24Å; D230-R233 IonicContact OD1-CZ 2.69Å; D230-R233 IonicContact OD1-NE 3.63Å; D230-R233 IonicContact OD1-NH1 2.67Å; D230-R233 PolarHBondContact OD1-NH1 3.41Å; R233-V236 PolarHBondContact O-N 3.32Å; R233-A237 PolarHBondContact O-N 2.86Å
234D93.4Very high86.3Confident110 Ų110104.8 Ų104.859%0.58854%0.535SS*.Hα-helixtrans-61.3-44.7177.1-71.2-16.9000111.4D230 V236 A237 D238D230-D234 PolarHBondContact O-N 2.85Å; D234-V236 VanDerWaalsContact C-N 3.33Å; D234-V236 PolarHBondContact O-N 2.85Å; D234-A237 PolarHBondContact O-N 3.18Å; D234-D238 PolarHBondContact O-N 3.14Å
235Q91.6Very high84.4Confident90 Ų90109.6 Ų109.642%0.42155%0.549SS..Hα-helixtrans-60.6-38.6174.3-79.2170.674.300113.1R231 L232 L239R231-Q235 WeakPolarHBondContact O-CG 3.48Å; R231-Q235 PolarHBondContact O-N 2.9Å; R231-Q235 PolarHBondContact O-NE2 2.86Å; L232-Q235 PolarHBondContact O-N 2.92Å; Q235-L239 WeakPolarHBondContact O-CB 3.32Å; Q235-L239 VanDerWaalsContact O-CG 3.24Å; Q235-L239 WeakPolarHBondContact O-CG 3.34Å; Q235-L239 PolarHBondContact O-N 2.9Å
236V85.1Confident82.6Confident78 Ų78106.6 Ų106.647%0.47355%0.55SS.*Hα-helixtrans-66.6-44.7174.9169.40000110.6L232 R233 D234 D238 L239 E240L232-V236 WeakPolarHBondContact O-CG2 3.46Å; L232-V236 PolarHBondContact O-N 3.48Å; R233-V236 PolarHBondContact O-N 3.32Å; D234-V236 VanDerWaalsContact C-N 3.33Å; D234-V236 PolarHBondContact O-N 2.85Å; V236-D238 PolarHBondContact O-N 3.27Å; V236-L239 PolarHBondContact O-N 2.99Å; V236-E240 HydrophobicContact CG1-CG 4.39Å; V236-E240 WeakPolarHBondContact O-CG 3.43Å; V236-E240 PolarHBondContact O-N 3.41Å
237A87.1Confident80.5Confident51 Ų51105 Ų10542%0.42156%0.556SS.*Hα-helixtrans-61.8-41.4177.300000112.4R233 D234 E240 A241R233-A237 PolarHBondContact O-N 2.86Å; D234-A237 PolarHBondContact O-N 3.18Å; A237-E240 PolarHBondContact O-N 3.1Å; A237-A241 VanDerWaalsContact O-CB 3.27Å; A237-A241 WeakPolarHBondContact O-CB 3.49Å; A237-A241 PolarHBondContact O-N 3.49Å
238D82.7Confident78.5Confident107 Ų107102.1 Ų102.157%0.57256%0.557SS**Hα-helixtrans-63.2-39.1173.8-92.4-17.2000112.2D234 V236 Q242D234-D238 PolarHBondContact O-N 3.14Å; V236-D238 PolarHBondContact O-N 3.27Å; D238-Q242 WeakPolarHBondContact O-CB 3.47Å; D238-Q242 VanDerWaalsContact O-CG 3.25Å; D238-Q242 WeakPolarHBondContact O-CG 3.23Å; D238-Q242 PolarHBondContact O-N 2.83Å; D238-Q242 PolarHBondContact O-NE2 3.48Å
239L80.6Confident76.6Confident109 Ų109100.9 Ų100.957%0.57157%0.565SS**Hα-helixtrans-70.3-39.8177-74.1169.1000112Q235 V236 Q242 L243Q235-L239 WeakPolarHBondContact O-CB 3.32Å; Q235-L239 VanDerWaalsContact O-CG 3.24Å; Q235-L239 WeakPolarHBondContact O-CG 3.34Å; Q235-L239 PolarHBondContact O-N 2.9Å; V236-L239 PolarHBondContact O-N 2.99Å; L239-Q242 PolarHBondContact O-N 3.33Å; L239-L243 PolarHBondContact O-N 2.86Å
240E80.4Confident75Confident135 Ų135103.4 Ų103.463%0.63157%0.573SS**Hα-helixtrans-65-41.6173.7-72-178.616900111.5V236 A237 Q242 L243 G244V236-E240 HydrophobicContact CG1-CG 4.39Å; V236-E240 WeakPolarHBondContact O-CG 3.43Å; V236-E240 PolarHBondContact O-N 3.41Å; A237-E240 PolarHBondContact O-N 3.1Å; E240-Q242 VanDerWaalsContact C-N 3.3Å; E240-Q242 PolarHBondContact O-N 3.47Å; E240-L243 PolarHBondContact O-N 2.87Å; E240-G244 PolarHBondContact O-N 3.5Å
241A78.7Confident73.4Confident60 Ų60103 Ų10350%0.49658%0.575SS.*Hα-helixtrans-64.9-31.9174.700000113A237A237-A241 VanDerWaalsContact O-CB 3.27Å; A237-A241 WeakPolarHBondContact O-CB 3.49Å; A237-A241 PolarHBondContact O-N 3.49Å
242Q68.8Low72.1Confident123 Ų12398.7 Ų98.758%0.57557%0.57SS**Hα-helixtrans-70.7-42.8170.6-76.5167.487.100111.8D238 L239 E240 G244 R245D238-Q242 WeakPolarHBondContact O-CB 3.47Å; D238-Q242 VanDerWaalsContact O-CG 3.25Å; D238-Q242 WeakPolarHBondContact O-CG 3.23Å; D238-Q242 PolarHBondContact O-N 2.83Å; D238-Q242 PolarHBondContact O-NE2 3.48Å; L239-Q242 PolarHBondContact O-N 3.33Å; E240-Q242 VanDerWaalsContact C-N 3.3Å; E240-Q242 PolarHBondContact O-N 3.47Å; Q242-G244 PolarHBondContact O-N 3.15Å; Q242-R245 PolarHBondContact O-N 2.91Å
243L62.8Low71.2Confident161 Ų161101.8 Ų101.884%0.84358%0.58SS**Hα-helixtrans-62-33.2177.3-136.983.8000112.3L239 E240 R245L239-L243 PolarHBondContact O-N 2.86Å; E240-L243 PolarHBondContact O-N 2.87Å; L243-R245 PolarHBondContact O-N 2.9Å
244G55.3Low70.4Confident63 Ų6399.7 Ų99.765%0.64958%0.576SS**THydrogen-bonded Turntrans-70.6-6.8177.400000115.8E240 Q242E240-G244 PolarHBondContact O-N 3.5Å; Q242-G244 PolarHBondContact O-N 3.15Å
245R55.5Low69.9Low193 Ų19399.9 Ų99.973%0.72857%0.574SS**  trans-98.7112.2178.7-71.1-175.4176.8-1671111.4Q242 L243 A247Q242-R245 PolarHBondContact O-N 2.91Å; L243-R245 PolarHBondContact O-N 2.9Å; R245-A247 PolarHBondContact O-N 3.27Å
246P55.5Low69.5Low107 Ų107101.6 Ų101.670%0.69559%0.585SS**THydrogen-bonded Turntrans-7835.3-172.134.3-38.7000114.5
247A53Low69.6Low75 Ų75100.6 Ų100.662%0.6258%0.581SS**THydrogen-bonded Turntrans-117.6-25.4-171.300000115R245R245-A247 PolarHBondContact O-N 3.27Å
248A54.1Low69.7Low83 Ų83103.5 Ų103.569%0.68658%0.582SS**SBendtrans-89.1-37-174.800000113.7
249G54.3Low70.1Confident55 Ų55101 Ų10157%0.56757%0.573SS**Hα-helixtrans-83.9-18.1-17500000115.6K253G249-K253 VanDerWaalsContact O-CB 3.3Å; G249-K253 WeakPolarHBondContact O-CB 3.29Å; G249-K253 PolarHBondContact O-N 2.87Å
250Q58.1Low70.6Confident113 Ų113100.5 Ų100.553%0.52857%0.57SS.*Hα-helixtrans-67.2-54.7-179.9-71.1-175.4-1400113.5A252 K253 E254Q250-A252 VanDerWaalsContact C-N 3.33Å; Q250-A252 PolarHBondContact O-N 2.87Å; Q250-K253 WeakPolarHBondContact O-CB 3.27Å; Q250-K253 PolarHBondContact O-N 2.94Å; Q250-E254 WeakPolarHBondContact O-CG 3.41Å; Q250-E254 PolarHBondContact O-N 2.92Å
251P61.3Low71.3Confident68 Ų68100.2 Ų100.244%0.44257%0.568SS.*Hα-helixtrans-62-39.3-176.322.9-34000112.6K253 E254 E255P251-K253 VanDerWaalsContact C-N 3.35Å; P251-K253 PolarHBondContact O-N 2.83Å; P251-E254 PolarHBondContact O-N 2.9Å; P251-E255 VanDerWaalsContact O-CB 3.23Å; P251-E255 WeakPolarHBondContact O-CB 3.38Å; P251-E255 PolarHBondContact O-N 3.41Å
252A68Low72Confident52 Ų52103.7 Ų103.743%0.4357%0.574SS.*Hα-helixtrans-65.4-35.9175.700000112.7Q250 L256Q250-A252 VanDerWaalsContact C-N 3.33Å; Q250-A252 PolarHBondContact O-N 2.87Å; A252-L256 WeakPolarHBondContact O-CB 3.47Å; A252-L256 VanDerWaalsContact O-CG 3.29Å; A252-L256 WeakPolarHBondContact O-CG 3.41Å; A252-L256 PolarHBondContact O-N 3.13Å
253K75.3Confident73.2Confident151 Ų151103.2 Ų103.266%0.65758%0.576SS**Hα-helixtrans-69.9-42174.7-176.3-178.8176.3-174.30111.8G249 Q250 P251 E255 L256 S257G249-K253 VanDerWaalsContact O-CB 3.3Å; G249-K253 WeakPolarHBondContact O-CB 3.29Å; G249-K253 PolarHBondContact O-N 2.87Å; Q250-K253 WeakPolarHBondContact O-CB 3.27Å; Q250-K253 PolarHBondContact O-N 2.94Å; P251-K253 VanDerWaalsContact C-N 3.35Å; P251-K253 PolarHBondContact O-N 2.83Å; K253-E255 VanDerWaalsContact C-N 3.3Å; K253-L256 PolarHBondContact O-N 3.01Å; K253-S257 PolarHBondContact O-N 3.37Å; K253-S257 PolarHBondContact O-OG 3.41Å
254E77.9Confident74.8Confident109 Ų10999.6 Ų99.651%0.50955%0.554SS.*Hα-helixtrans-66.8-32.4176.1-71.1165.9-163.300112.2Q250 P251 S257 R258Q250-E254 WeakPolarHBondContact O-CG 3.41Å; Q250-E254 PolarHBondContact O-N 2.92Å; P251-E254 PolarHBondContact O-N 2.9Å; E254-S257 PolarHBondContact O-N 3.47Å; E254-R258 WeakPolarHBondContact O-CB 3.47Å; E254-R258 WeakPolarHBondContact O-CG 3.49Å; E254-R258 PolarHBondContact O-N 3.08Å; E254-R258 PolarHBondContact O-NE 3.17Å
255E81.6Confident76.7Confident114 Ų11499.4 Ų99.453%0.53355%0.547SS..Hα-helixtrans-71.8-41173.5-171.6141.6-96.400112.6P251 K253 S257 R258 S259P251-E255 VanDerWaalsContact O-CB 3.23Å; P251-E255 WeakPolarHBondContact O-CB 3.38Å; P251-E255 PolarHBondContact O-N 3.41Å; K253-E255 VanDerWaalsContact C-N 3.3Å; E255-S257 VanDerWaalsContact C-N 3.34Å; E255-R258 PolarHBondContact O-N 3.03Å; E255-R258 IonicContact OE1-CZ 3.93Å; E255-R258 IonicContact OE1-NH1 2.71Å; E255-R258 PolarHBondContact OE1-NH1 3.14Å; E255-R258 IonicContact OE1-NH2 3.8Å; E255-S259 VanDerWaalsContact O-CB 3.3Å; E255-S259 WeakPolarHBondContact O-CB 3.34Å; E255-S259 PolarHBondContact O-N 2.71Å
256L83.9Confident78.6Confident126 Ų12693.4 Ų93.466%0.6653%0.534SS*.Hα-helixtrans-61.7-40.5169-76.1165.5000111.8A252 K253 L260A252-L256 WeakPolarHBondContact O-CB 3.47Å; A252-L256 VanDerWaalsContact O-CG 3.29Å; A252-L256 WeakPolarHBondContact O-CG 3.41Å; A252-L256 PolarHBondContact O-N 3.13Å; K253-L256 PolarHBondContact O-N 3.01Å; L256-L260 VanDerWaalsContact O-CB 3.27Å; L256-L260 WeakPolarHBondContact O-CB 3.46Å; L256-L260 PolarHBondContact O-N 2.93Å
257S86.8Confident80.5Confident57 Ų5793 Ų9340%0.39953%0.526SS..Hα-helixtrans-63.5-48.7174-760000112.2K253 E254 E255 S259 L260 E261K253-S257 PolarHBondContact O-N 3.37Å; K253-S257 PolarHBondContact O-OG 3.41Å; E254-S257 PolarHBondContact O-N 3.47Å; E255-S257 VanDerWaalsContact C-N 3.34Å; S257-S259 PolarHBondContact O-N 3.02Å; S257-L260 PolarHBondContact O-N 2.83Å; S257-E261 WeakPolarHBondContact O-CG 3.31Å; S257-E261 PolarHBondContact O-N 3.07Å
258R90.2Very high82.6Confident112 Ų11296.8 Ų96.842%0.42352%0.524SS..Hα-helixtrans-58.6-46.1175.2-80.5178.7-80.3114-6.1112E254 E255 L260 E261 E262E254-R258 WeakPolarHBondContact O-CB 3.47Å; E254-R258 WeakPolarHBondContact O-CG 3.49Å; E254-R258 PolarHBondContact O-N 3.08Å; E254-R258 PolarHBondContact O-NE 3.17Å; E255-R258 PolarHBondContact O-N 3.03Å; E255-R258 IonicContact OE1-CZ 3.93Å; E255-R258 IonicContact OE1-NH1 2.71Å; E255-R258 PolarHBondContact OE1-NH1 3.14Å; E255-R258 IonicContact OE1-NH2 3.8Å; R258-L260 VanDerWaalsContact C-N 3.29Å; R258-L260 PolarHBondContact O-N 3.13Å; R258-E261 PolarHBondContact O-N 3.15Å; R258-E262 WeakPolarHBondContact O-CB 3.24Å; R258-E262 WeakPolarHBondContact O-CG 3.44Å; R258-E262 PolarHBondContact O-N 3.2Å
259S89.6Confident84.6Confident55 Ų5595.4 Ų95.439%0.38551%0.513SS..Hα-helixtrans-63-35.6177.6-174.50000112.2E255 S257 L263E255-S259 VanDerWaalsContact O-CB 3.3Å; E255-S259 WeakPolarHBondContact O-CB 3.34Å; E255-S259 PolarHBondContact O-N 2.71Å; S257-S259 PolarHBondContact O-N 3.02Å; S259-L263 WeakPolarHBondContact O-CB 3.4Å; S259-L263 WeakPolarHBondContact O-CD1 3.38Å; S259-L263 WeakPolarHBondContact O-CG 3.38Å; S259-L263 PolarHBondContact O-N 3.38Å
260L92.3Very high86.5Confident98 Ų9898.1 Ų98.151%0.51351%0.509SS..Hα-helixtrans-69.6-42.1174.5-173.5149.7000111.9L256 S257 R258 L263 E264L256-L260 VanDerWaalsContact O-CB 3.27Å; L256-L260 WeakPolarHBondContact O-CB 3.46Å; L256-L260 PolarHBondContact O-N 2.93Å; S257-L260 PolarHBondContact O-N 2.83Å; R258-L260 VanDerWaalsContact C-N 3.29Å; R258-L260 PolarHBondContact O-N 3.13Å; L260-L263 PolarHBondContact O-N 2.71Å; L260-E264 HydrophobicContact CD2-CG 4.32Å; L260-E264 WeakPolarHBondContact CD2-OE1 3.39Å; L260-E264 PolarHBondContact O-N 2.84Å
261E94.1Very high88.3Confident129 Ų12997.7 Ų97.760%0.60351%0.507SS*.Hα-helixtrans-63.5-40.6174.3-73172.6-166.600112.1S257 R258 E264 A265S257-E261 WeakPolarHBondContact O-CG 3.31Å; S257-E261 PolarHBondContact O-N 3.07Å; R258-E261 PolarHBondContact O-N 3.15Å; E261-E264 PolarHBondContact O-N 3.14Å; E261-A265 WeakPolarHBondContact O-CB 3.33Å; E261-A265 PolarHBondContact O-N 3.23Å
262E94.3Very high90Very high133 Ų133100.4 Ų100.462%0.62151%0.513SS*.Hα-helixtrans-64.5-41.5173.3-74.4172.2-167.100112.1R258 A265 S266R258-E262 WeakPolarHBondContact O-CB 3.24Å; R258-E262 WeakPolarHBondContact O-CG 3.44Å; R258-E262 PolarHBondContact O-N 3.2Å; E262-A265 PolarHBondContact O-N 2.77Å; E262-S266 VanDerWaalsContact O-CB 3.23Å; E262-S266 WeakPolarHBondContact O-CB 3.23Å; E262-S266 PolarHBondContact O-N 3.37Å
263L93.9Very high91.4Very high114 Ų114102.2 Ų102.260%0.59751%0.513SS*.Hα-helixtrans-66.4-39.3174.8-77167.5000112S259 L260 S266 L267S259-L263 WeakPolarHBondContact O-CB 3.4Å; S259-L263 WeakPolarHBondContact O-CD1 3.38Å; S259-L263 WeakPolarHBondContact O-CG 3.38Å; S259-L263 PolarHBondContact O-N 3.38Å; L260-L263 PolarHBondContact O-N 2.71Å; L263-S266 PolarHBondContact O-N 2.93Å; L263-L267 VanDerWaalsContact O-CB 3.3Å; L263-L267 WeakPolarHBondContact O-CB 3.28Å; L263-L267 PolarHBondContact O-N 3.27Å
264E94.9Very high92.4Very high85 Ų8599.4 Ų99.440%0.39750%0.504SS..Hα-helixtrans-65.5-43.6172.8-80.6-163.9-151.700112.2L260 E261 S266 L267 R268L260-E264 HydrophobicContact CD2-CG 4.32Å; L260-E264 WeakPolarHBondContact CD2-OE1 3.39Å; L260-E264 PolarHBondContact O-N 2.84Å; E261-E264 PolarHBondContact O-N 3.14Å; E264-S266 VanDerWaalsContact C-N 3.33Å; E264-S266 PolarHBondContact O-N 2.9Å; E264-L267 PolarHBondContact O-N 3.4Å; E264-R268 VanDerWaalsContact O-CG 3.26Å; E264-R268 WeakPolarHBondContact O-CG 3.31Å; E264-R268 PolarHBondContact O-N 2.95Å; E264-R268 IonicContact OE2-CZ 2.85Å; E264-R268 IonicContact OE2-NE 2.59Å; E264-R268 IonicContact OE2-NH2 3.37Å; E264-R268 PolarHBondContact OE2-NH2 3.01Å
265A96Very high93.2Very high59 Ų5999.8 Ų99.849%0.48851%0.506SS..Hα-helixtrans-62.5-42.2176.300000111.5E261 E262 A269E261-A265 WeakPolarHBondContact O-CB 3.33Å; E261-A265 PolarHBondContact O-N 3.23Å; E262-A265 PolarHBondContact O-N 2.77Å; A265-A269 WeakPolarHBondContact O-CB 3.47Å; A265-A269 PolarHBondContact O-N 2.92Å
266S94.9Very high93.9Very high67 Ų6798.8 Ų98.847%0.46951%0.505SS..Hα-helixtrans-63-42.7174.1-172.50000112.1E262 L263 E264 A269 K270E262-S266 VanDerWaalsContact O-CB 3.23Å; E262-S266 WeakPolarHBondContact O-CB 3.23Å; E262-S266 PolarHBondContact O-N 3.37Å; L263-S266 PolarHBondContact O-N 2.93Å; E264-S266 VanDerWaalsContact C-N 3.33Å; E264-S266 PolarHBondContact O-N 2.9Å; S266-A269 PolarHBondContact O-N 3.21Å; S266-K270 VanDerWaalsContact O-CG 3.31Å; S266-K270 WeakPolarHBondContact O-CG 3.44Å; S266-K270 PolarHBondContact O-N 2.86Å
267L95.3Very high94.4Very high98 Ų9897.2 Ų97.251%0.51350%0.496SS..Hα-helixtrans-61.5-50.8175.9-179.563.1000111.3L263 E264 A269 K270 E271L263-L267 VanDerWaalsContact O-CB 3.3Å; L263-L267 WeakPolarHBondContact O-CB 3.28Å; L263-L267 PolarHBondContact O-N 3.27Å; E264-L267 PolarHBondContact O-N 3.4Å; L267-A269 VanDerWaalsContact C-N 3.3Å; L267-A269 PolarHBondContact O-N 2.98Å; L267-K270 CarbonylContact O-C 3.53Å; L267-K270 WeakPolarHBondContact O-CA 3.31Å; L267-K270 PolarHBondContact O-N 3.39Å; L267-E271 HydrophobicContact CD1-CG 4.47Å; L267-E271 WeakPolarHBondContact O-CG 3.3Å; L267-E271 PolarHBondContact O-N 3Å
268R96.7Very high94.7Very high154 Ų154100.4 Ų100.458%0.58151%0.505SS*.Hα-helixtrans-60.1-39.3178.1-66.1171.4-158.6-176.17.9111.9E264 E271 Q272E264-R268 VanDerWaalsContact O-CG 3.26Å; E264-R268 WeakPolarHBondContact O-CG 3.31Å; E264-R268 PolarHBondContact O-N 2.95Å; E264-R268 IonicContact OE2-CZ 2.85Å; E264-R268 IonicContact OE2-NE 2.59Å; E264-R268 IonicContact OE2-NH2 3.37Å; E264-R268 PolarHBondContact OE2-NH2 3.01Å; R268-E271 PolarHBondContact O-N 2.93Å; R268-Q272 PolarHBondContact O-N 3.08Å
269A96.9Very high94.9Very high55 Ų5598.4 Ų98.446%0.45551%0.507SS..Hα-helixtrans-64.5-38.2174.100000112.3A265 S266 L267 Q272 E273A265-A269 WeakPolarHBondContact O-CB 3.47Å; A265-A269 PolarHBondContact O-N 2.92Å; S266-A269 PolarHBondContact O-N 3.21Å; L267-A269 VanDerWaalsContact C-N 3.3Å; L267-A269 PolarHBondContact O-N 2.98Å; A269-Q272 PolarHBondContact O-N 2.95Å; A269-E273 PolarHBondContact O-N 3.24Å
270K94.8Very high95.1Very high111 Ų111103.7 Ų103.748%0.48352%0.518SS..Hα-helixtrans-71.3-35.6175-70.5-71.9155.7-162.10112.8S266 L267 E273 I274S266-K270 VanDerWaalsContact O-CG 3.31Å; S266-K270 WeakPolarHBondContact O-CG 3.44Å; S266-K270 PolarHBondContact O-N 2.86Å; L267-K270 CarbonylContact O-C 3.53Å; L267-K270 WeakPolarHBondContact O-CA 3.31Å; L267-K270 PolarHBondContact O-N 3.39Å; K270-E273 WeakPolarHBondContact CD-OE2 3.41Å; K270-E273 IonicContact NZ-OE2 3.49Å; K270-E273 PolarHBondContact NZ-OE2 2.98Å; K270-E273 PolarHBondContact O-N 3.31Å; K270-I274 WeakPolarHBondContact O-CB 3.46Å; K270-I274 WeakPolarHBondContact O-CD1 3.3Å; K270-I274 VanDerWaalsContact O-CG1 3.22Å; K270-I274 WeakPolarHBondContact O-CG1 3.26Å; K270-I274 PolarHBondContact O-N 3.4Å
271E95.7Very high95.1Very high105 Ų105106.8 Ų106.849%0.49153%0.528SS..Hα-helixtrans-63.4-42.5172.2-71.6171.9160.800111.2L267 R268 I274 Q275L267-E271 HydrophobicContact CD1-CG 4.47Å; L267-E271 WeakPolarHBondContact O-CG 3.3Å; L267-E271 PolarHBondContact O-N 3Å; R268-E271 PolarHBondContact O-N 2.93Å; E271-I274 PolarHBondContact O-N 3.35Å; E271-Q275 PolarHBondContact O-N 2.87Å
272Q97.3Very high95Very high124 Ų124103.6 Ų103.658%0.57952%0.524SS*.Hα-helixtrans-67.8-37174.7-164.9174.227.200112.5R268 A269 Q275 N276R268-Q272 PolarHBondContact O-N 3.08Å; A269-Q272 PolarHBondContact O-N 2.95Å; Q272-Q275 PolarHBondContact O-N 3.08Å; Q272-N276 WeakPolarHBondContact O-CB 3.47Å; Q272-N276 VanDerWaalsContact O-CG 3.25Å; Q272-N276 PolarHBondContact O-N 3.13Å; Q272-N276 PolarHBondContact O-ND2 2.93Å
273E96.6Very high95Very high91 Ų91101.9 Ų101.943%0.42552%0.519SS..Hα-helixtrans-61.8-43.7171-172.2-178.2176.500111.4A269 K270 N276 L277A269-E273 PolarHBondContact O-N 3.24Å; K270-E273 WeakPolarHBondContact CD-OE2 3.41Å; K270-E273 IonicContact NZ-OE2 3.49Å; K270-E273 PolarHBondContact NZ-OE2 2.98Å; K270-E273 PolarHBondContact O-N 3.31Å; E273-N276 PolarHBondContact O-N 3.08Å; E273-L277 HydrophobicContact CG-CD1 4.13Å; E273-L277 WeakPolarHBondContact O-CB 3.41Å; E273-L277 VanDerWaalsContact O-CG 3.27Å; E273-L277 WeakPolarHBondContact O-CG 3.35Å; E273-L277 PolarHBondContact O-N 3.45Å
274I95.6Very high95Very high91 Ų91100 Ų10047%0.46751%0.512SS..Hα-helixtrans-61-44.4175-72.4163.7000110.8K270 E271 L277 Q278K270-I274 WeakPolarHBondContact O-CB 3.46Å; K270-I274 WeakPolarHBondContact O-CD1 3.3Å; K270-I274 VanDerWaalsContact O-CG1 3.22Å; K270-I274 WeakPolarHBondContact O-CG1 3.26Å; K270-I274 PolarHBondContact O-N 3.4Å; E271-I274 PolarHBondContact O-N 3.35Å; I274-L277 PolarHBondContact O-N 3.09Å; I274-Q278 HydrophobicContact CG2-CG 4.49Å; I274-Q278 VanDerWaalsContact O-CG 3.3Å; I274-Q278 WeakPolarHBondContact O-CG 3.48Å; I274-Q278 PolarHBondContact O-N 2.88Å
275Q96.1Very high95.1Very high118 Ų11897.5 Ų97.555%0.55151%0.509SS*.Hα-helixtrans-62.6-44.9177.2-169.7177.912.600111.6E271 Q272 L277 Q278 C279E271-Q275 PolarHBondContact O-N 2.87Å; Q272-Q275 PolarHBondContact O-N 3.08Å; Q275-L277 VanDerWaalsContact C-N 3.31Å; Q275-L277 PolarHBondContact O-N 3.17Å; Q275-Q278 WeakPolarHBondContact O-CB 3.42Å; Q275-Q278 PolarHBondContact O-N 2.76Å; Q275-Q278 VanDerWaalsContact O-N 3.13Å; Q275-C279 PolarHBondContact O-N 3.31Å; Q275-C279 PolarHBondContact O-SG 3.46Å; Q275-C279 VanDerWaalsContact O-SG 3.39Å
276N95.8Very high95Very high93 Ų9399.8 Ų99.850%0.49751%0.509SS..Hα-helixtrans-61.9-38175.5-72.3-27.8000112.2Q272 E273 R280Q272-N276 WeakPolarHBondContact O-CB 3.47Å; Q272-N276 VanDerWaalsContact O-CG 3.25Å; Q272-N276 PolarHBondContact O-N 3.13Å; Q272-N276 PolarHBondContact O-ND2 2.93Å; E273-N276 PolarHBondContact O-N 3.08Å; N276-R280 WeakPolarHBondContact O-CG 3.12Å; N276-R280 PolarHBondContact O-N 2.91Å
277L95.1Very high95.1Very high92 Ų92101.7 Ų101.748%0.48251%0.514SS..Hα-helixtrans-70.2-31.2174.2-71.4169.6000112.7E273 I274 Q275 K281E273-L277 HydrophobicContact CG-CD1 4.13Å; E273-L277 WeakPolarHBondContact O-CB 3.41Å; E273-L277 VanDerWaalsContact O-CG 3.27Å; E273-L277 WeakPolarHBondContact O-CG 3.35Å; E273-L277 PolarHBondContact O-N 3.45Å; I274-L277 PolarHBondContact O-N 3.09Å; Q275-L277 VanDerWaalsContact C-N 3.31Å; Q275-L277 PolarHBondContact O-N 3.17Å; L277-K281 WeakPolarHBondContact O-CB 3.15Å; L277-K281 PolarHBondContact O-N 3Å
278Q92.8Very high95.1Very high125 Ų125103.1 Ų103.158%0.58452%0.518SS*.Hα-helixtrans-68.1-44173-74172.210.600111.6I274 Q275 K281 A282I274-Q278 HydrophobicContact CG2-CG 4.49Å; I274-Q278 VanDerWaalsContact O-CG 3.3Å; I274-Q278 WeakPolarHBondContact O-CG 3.48Å; I274-Q278 PolarHBondContact O-N 2.88Å; Q275-Q278 WeakPolarHBondContact O-CB 3.42Å; Q275-Q278 PolarHBondContact O-N 2.76Å; Q275-Q278 VanDerWaalsContact O-N 3.13Å; Q278-K281 WeakPolarHBondContact O-CB 3.42Å; Q278-K281 PolarHBondContact O-N 3.38Å; Q278-A282 PolarHBondContact O-N 2.94Å; Q278-A282 VanDerWaalsContact O-N 3.14Å
279C94.4Very high95.1Very high69 Ų69100.7 Ų100.747%0.46651%0.511SS..Hα-helixtrans-58-52.2172.6-63.10000110.9Q275 K281 A282 D283Q275-C279 PolarHBondContact O-N 3.31Å; Q275-C279 PolarHBondContact O-SG 3.46Å; Q275-C279 VanDerWaalsContact O-SG 3.39Å; C279-K281 PolarHBondContact O-N 3.4Å; C279-K281 VanDerWaalsContact O-N 3.13Å; C279-A282 WeakPolarHBondContact O-CA 3.15Å; C279-A282 WeakPolarHBondContact O-CB 3.46Å; C279-A282 PolarHBondContact O-N 3.01Å; C279-D283 PolarHBondContact O-N 2.88Å
280R93.8Very high95.1Very high166 Ų166103.4 Ų103.463%0.62652%0.515SS*.Hα-helixtrans-60.1-26.6177.8-70.9-179.367.2-170.91.9114.1N276 D283 V284N276-R280 WeakPolarHBondContact O-CG 3.12Å; N276-R280 PolarHBondContact O-N 2.91Å; R280-D283 WeakPolarHBondContact CA-OD2 3.49Å; R280-V284 WeakPolarHBondContact O-CG2 3.31Å; R280-V284 PolarHBondContact O-N 3.41Å
281K91.8Very high95.2Very high164 Ų164104.3 Ų104.371%0.71352%0.519SS*.Hα-helixtrans-72.9-35.4172.8-174-173.7173.7-169.30111.9L277 Q278 C279 G285L277-K281 WeakPolarHBondContact O-CB 3.15Å; L277-K281 PolarHBondContact O-N 3Å; Q278-K281 WeakPolarHBondContact O-CB 3.42Å; Q278-K281 PolarHBondContact O-N 3.38Å; C279-K281 PolarHBondContact O-N 3.4Å; C279-K281 VanDerWaalsContact O-N 3.13Å; K281-G285 PolarHBondContact O-N 3.38Å; K281-G285 VanDerWaalsContact O-N 3.11Å
282A92.6Very high95.3Very high62 Ų62104.6 Ų104.651%0.51252%0.52SS..Hα-helixtrans-66.4-44.5172.900000111Q278 C279 V284 G285 E286Q278-A282 PolarHBondContact O-N 2.94Å; Q278-A282 VanDerWaalsContact O-N 3.14Å; C279-A282 WeakPolarHBondContact O-CA 3.15Å; C279-A282 WeakPolarHBondContact O-CB 3.46Å; C279-A282 PolarHBondContact O-N 3.01Å; A282-V284 VanDerWaalsContact C-N 3.31Å; A282-V284 PolarHBondContact O-N 3.28Å; A282-G285 WeakPolarHBondContact O-CA 3.49Å; A282-G285 PolarHBondContact O-N 3.02Å; A282-E286 PolarHBondContact O-N 3.49Å
283D94.8Very high95.3Very high96 Ų96102.8 Ų102.851%0.51351%0.511SS..Hα-helixtrans-55.6-45176-53.8-29.5000111.7C279 R280 G285 E286 L287C279-D283 PolarHBondContact O-N 2.88Å; R280-D283 WeakPolarHBondContact CA-OD2 3.49Å; D283-G285 VanDerWaalsContact C-N 3.35Å; D283-G285 PolarHBondContact O-N 2.87Å; D283-E286 PolarHBondContact O-N 3.43Å; D283-L287 WeakPolarHBondContact O-CG 3.43Å; D283-L287 PolarHBondContact O-N 3.16Å; D283-L287 VanDerWaalsContact O-N 3.1Å
284V93.9Very high95.4Very high75 Ų75103.6 Ų103.646%0.45552%0.518SS..Hα-helixtrans-64.2-37.6175.5169.80000112R280 A282 L287 E288R280-V284 WeakPolarHBondContact O-CG2 3.31Å; R280-V284 PolarHBondContact O-N 3.41Å; A282-V284 VanDerWaalsContact C-N 3.31Å; A282-V284 PolarHBondContact O-N 3.28Å; V284-L287 PolarHBondContact O-N 3.37Å; V284-E288 HydrophobicContact CG1-CG 4.35Å; V284-E288 WeakPolarHBondContact O-CB 3.41Å; V284-E288 WeakPolarHBondContact O-CG 3.46Å; V284-E288 PolarHBondContact O-N 2.91Å
285G95.3Very high95.4Very high32 Ų32102.6 Ų102.633%0.3351%0.512SS..Hα-helixtrans-65.9-38.9178.300000113.6K281 A282 D283 E288 K289K281-G285 PolarHBondContact O-N 3.38Å; K281-G285 VanDerWaalsContact O-N 3.11Å; A282-G285 WeakPolarHBondContact O-CA 3.49Å; A282-G285 PolarHBondContact O-N 3.02Å; D283-G285 VanDerWaalsContact C-N 3.35Å; D283-G285 PolarHBondContact O-N 2.87Å; G285-E288 PolarHBondContact O-N 3.29Å; G285-K289 PolarHBondContact O-N 3.09Å; G285-K289 VanDerWaalsContact O-N 3.14Å
286E95.9Very high95.5Very high108 Ų108101.6 Ų101.651%0.50551%0.507SS..Hα-helixtrans-70.1-38.1173.2-67.3-61.615000111.5A282 D283 E288 K289 E290A282-E286 PolarHBondContact O-N 3.49Å; D283-E286 PolarHBondContact O-N 3.43Å; E286-E288 PolarHBondContact O-N 2.98Å; E286-K289 WeakPolarHBondContact O-CB 3.44Å; E286-K289 PolarHBondContact O-N 3.34Å; E286-K289 IonicContact OE1-NZ 2.66Å; E286-K289 IonicContact OE2-NZ 3.93Å; E286-K289 PolarHBondContact OE2-NZ 3.03Å; E286-E290 PolarHBondContact O-N 3.22Å
287L95.4Very high95.7Very high107 Ų107104.3 Ų104.356%0.5651%0.51SS*.Hα-helixtrans-64.7-35.9173.4-71.7170000113.2D283 V284 K289 K291D283-L287 WeakPolarHBondContact O-CG 3.43Å; D283-L287 PolarHBondContact O-N 3.16Å; D283-L287 VanDerWaalsContact O-N 3.1Å; V284-L287 PolarHBondContact O-N 3.37Å; L287-K289 VanDerWaalsContact C-N 3.32Å; L287-K291 VanDerWaalsContact O-CB 3.29Å; L287-K291 WeakPolarHBondContact O-CB 3.45Å; L287-K291 PolarHBondContact O-N 2.91Å
288E94.9Very high95.8Very high128 Ų128104.2 Ų104.260%0.59851%0.51SS*.Hα-helixtrans-64.5-37.2172.6-77.8179.5160.800111.6V284 G285 E286 E292V284-E288 HydrophobicContact CG1-CG 4.35Å; V284-E288 WeakPolarHBondContact O-CB 3.41Å; V284-E288 WeakPolarHBondContact O-CG 3.46Å; V284-E288 PolarHBondContact O-N 2.91Å; G285-E288 PolarHBondContact O-N 3.29Å; E286-E288 PolarHBondContact O-N 2.98Å; E288-E292 PolarHBondContact O-N 3.37Å; E288-E292 VanDerWaalsContact O-N 3.13Å
289K96.9Very high96Very high102 Ų102102.9 Ų102.944%0.44350%0.504SS..Hα-helixtrans-71.4-44.5175174.7-177.6139.8-138.10112.8G285 E286 L287 K291 E292 E293G285-K289 PolarHBondContact O-N 3.09Å; G285-K289 VanDerWaalsContact O-N 3.14Å; E286-K289 WeakPolarHBondContact O-CB 3.44Å; E286-K289 PolarHBondContact O-N 3.34Å; E286-K289 IonicContact OE1-NZ 2.66Å; E286-K289 IonicContact OE2-NZ 3.93Å; E286-K289 PolarHBondContact OE2-NZ 3.03Å; L287-K289 VanDerWaalsContact C-N 3.32Å; K289-K291 VanDerWaalsContact C-N 3.29Å; K289-K291 PolarHBondContact O-N 3.41Å; K289-E292 PolarHBondContact O-N 2.9Å; K289-E292 VanDerWaalsContact O-N 3.14Å; K289-E293 PolarHBondContact O-N 3.16Å
290E97.3Very high96.2Very high112 Ų112102.6 Ų102.652%0.52350%0.497SS..Hα-helixtrans-58.8-42.2174.2-75.4-171.816300111.4E286 E292 E293 I294E286-E290 PolarHBondContact O-N 3.22Å; E290-E292 VanDerWaalsContact C-N 3.34Å; E290-E292 PolarHBondContact O-N 3.4Å; E290-E293 PolarHBondContact O-N 2.93Å; E290-I294 WeakPolarHBondContact O-CB 3.15Å; E290-I294 VanDerWaalsContact O-CG1 3.27Å; E290-I294 WeakPolarHBondContact O-CG1 3.29Å; E290-I294 PolarHBondContact O-N 3.26Å
291K97Very high96.4Very high131 Ų131100.1 Ų100.157%0.5750%0.496SS*.Hα-helixtrans-58.8-43.9173.7177-162.6167.7-155.10111.9L287 K289 I294 M295L287-K291 VanDerWaalsContact O-CB 3.29Å; L287-K291 WeakPolarHBondContact O-CB 3.45Å; L287-K291 PolarHBondContact O-N 2.91Å; K289-K291 VanDerWaalsContact C-N 3.29Å; K289-K291 PolarHBondContact O-N 3.41Å; K291-I294 PolarHBondContact O-N 2.93Å; K291-M295 WeakPolarHBondContact O-CB 3.46Å; K291-M295 PolarHBondContact O-N 3.46Å
292E97.3Very high96.6Very high110 Ų11097.3 Ų97.351%0.51449%0.486SS..Hα-helixtrans-67.6-41.6178.9-16465.1-16900111.7E288 K289 E290 I294 M295 Q296E288-E292 PolarHBondContact O-N 3.37Å; E288-E292 VanDerWaalsContact O-N 3.13Å; K289-E292 PolarHBondContact O-N 2.9Å; K289-E292 VanDerWaalsContact O-N 3.14Å; E290-E292 VanDerWaalsContact C-N 3.34Å; E290-E292 PolarHBondContact O-N 3.4Å; E292-I294 VanDerWaalsContact C-N 3.32Å; E292-I294 PolarHBondContact O-N 2.94Å; E292-M295 PolarHBondContact O-N 3.41Å; E292-Q296 PolarHBondContact O-N 3.33Å
293E98.1Very high96.9Very high86 Ų86100.2 Ų100.240%0.40248%0.483SS..Hα-helixtrans-60.5-39.7172.8-75-167.4-14200112.4K289 E290 R297K289-E293 PolarHBondContact O-N 3.16Å; E290-E293 PolarHBondContact O-N 2.93Å; E293-R297 WeakPolarHBondContact O-CB 3.37Å; E293-R297 WeakPolarHBondContact O-CD 3.41Å; E293-R297 WeakPolarHBondContact O-CG 3.31Å; E293-R297 PolarHBondContact O-N 2.76Å; E293-R297 VanDerWaalsContact O-N 3.09Å; E293-R297 IonicContact OE2-CZ 3.91Å; E293-R297 IonicContact OE2-NH2 3.61Å; E293-R297 PolarHBondContact OE2-NH2 2.97Å
294I97.8Very high97.1Very high109 Ų109102.9 Ų102.956%0.55949%0.486SS*.Hα-helixtrans-66.7-40.7174.7-70.5165.2000110.7E290 K291 E292 R297 L298E290-I294 WeakPolarHBondContact O-CB 3.15Å; E290-I294 VanDerWaalsContact O-CG1 3.27Å; E290-I294 WeakPolarHBondContact O-CG1 3.29Å; E290-I294 PolarHBondContact O-N 3.26Å; K291-I294 PolarHBondContact O-N 2.93Å; E292-I294 VanDerWaalsContact C-N 3.32Å; E292-I294 PolarHBondContact O-N 2.94Å; I294-R297 PolarHBondContact O-N 2.71Å; I294-L298 WeakPolarHBondContact O-CB 3.22Å; I294-L298 PolarHBondContact O-N 2.92Å
295M97.3Very high97.3Very high69 Ų69103.3 Ų103.334%0.3449%0.486SS..Hα-helixtrans-65.5-42.9178.8-160.5-174.9-39.900112.1K291 E292 L298 Q299K291-M295 WeakPolarHBondContact O-CB 3.46Å; K291-M295 PolarHBondContact O-N 3.46Å; E292-M295 PolarHBondContact O-N 3.41Å; M295-L298 WeakPolarHBondContact O-CB 3.47Å; M295-L298 PolarHBondContact O-N 2.84Å; M295-Q299 WeakPolarHBondContact O-CG 3.45Å; M295-Q299 PolarHBondContact O-N 2.74Å
296Q98Very high97.4Very high97 Ų97105.6 Ų105.645%0.45349%0.493SS..Hα-helixtrans-62.2-43.9174.5-178.85961.300111.5E292 L298 Q299 D300E292-Q296 PolarHBondContact O-N 3.33Å; Q296-L298 VanDerWaalsContact C-N 3.3Å; Q296-L298 PolarHBondContact O-N 2.76Å; Q296-Q299 PolarHBondContact O-N 2.77Å; Q296-D300 PolarHBondContact NE2-OD2 3.16Å; Q296-D300 PolarHBondContact O-N 3.43Å
297R98.4Very high97.5Very high150 Ų150104.8 Ų104.857%0.56649%0.49SS*.Hα-helixtrans-63.2-35.3176.2-69.6168.6-158.6-169.69.8112.2E293 I294 L301E293-R297 WeakPolarHBondContact O-CB 3.37Å; E293-R297 WeakPolarHBondContact O-CD 3.41Å; E293-R297 WeakPolarHBondContact O-CG 3.31Å; E293-R297 PolarHBondContact O-N 2.76Å; E293-R297 VanDerWaalsContact O-N 3.09Å; E293-R297 IonicContact OE2-CZ 3.91Å; E293-R297 IonicContact OE2-NH2 3.61Å; E293-R297 PolarHBondContact OE2-NH2 2.97Å; I294-R297 PolarHBondContact O-N 2.71Å; R297-L301 VanDerWaalsContact O-CG 3.31Å; R297-L301 WeakPolarHBondContact O-CG 3.4Å; R297-L301 PolarHBondContact O-N 2.77Å; R297-L301 VanDerWaalsContact O-N 3.14Å
298L97.5Very high97.6Very high91 Ų91104.2 Ų104.248%0.47649%0.486SS..Hα-helixtrans-64.9-49.9174.517961.6000111.2I294 M295 Q296 D300 L301 E302I294-L298 WeakPolarHBondContact O-CB 3.22Å; I294-L298 PolarHBondContact O-N 2.92Å; M295-L298 WeakPolarHBondContact O-CB 3.47Å; M295-L298 PolarHBondContact O-N 2.84Å; Q296-L298 VanDerWaalsContact C-N 3.3Å; Q296-L298 PolarHBondContact O-N 2.76Å; L298-D300 VanDerWaalsContact C-N 3.31Å; L298-D300 PolarHBondContact O-N 3.47Å; L298-L301 WeakPolarHBondContact O-CA 3.46Å; L298-L301 WeakPolarHBondContact O-CB 3.5Å; L298-L301 PolarHBondContact O-N 2.73Å; L298-E302 HydrophobicContact CD1-CG 4.27Å; L298-E302 HydrophobicContact CG-CG 4.42Å; L298-E302 WeakPolarHBondContact O-CG 3.45Å; L298-E302 PolarHBondContact O-N 3.14Å
299Q97.8Very high97.8Very high97 Ų97102.4 Ų102.445%0.45348%0.478SS..Hα-helixtrans-58.8-40177.8-68.9175.821.900112.4M295 Q296 L301 E302 R303M295-Q299 WeakPolarHBondContact O-CG 3.45Å; M295-Q299 PolarHBondContact O-N 2.74Å; Q296-Q299 PolarHBondContact O-N 2.77Å; Q299-L301 VanDerWaalsContact C-N 3.32Å; Q299-L301 PolarHBondContact O-N 3.33Å; Q299-E302 PolarHBondContact O-N 3.04Å; Q299-R303 VanDerWaalsContact O-CB 3.31Å; Q299-R303 WeakPolarHBondContact O-CB 3.38Å; Q299-R303 PolarHBondContact O-N 2.94Å
300D97.9Very high97.8Very high62 Ų62101 Ų10133%0.33248%0.481SS..Hα-helixtrans-67.7-29.5175.6-95.3-58.5000113.6Q296 L298 R303 R304Q296-D300 PolarHBondContact NE2-OD2 3.16Å; Q296-D300 PolarHBondContact O-N 3.43Å; L298-D300 VanDerWaalsContact C-N 3.31Å; L298-D300 PolarHBondContact O-N 3.47Å; D300-R303 IonicContact OD1-CZ 3.74Å; D300-R303 IonicContact OD1-NE 3.7Å; D300-R303 PolarHBondContact OD1-NE 3.04Å; D300-R303 IonicContact OD1-NH2 2.77Å; D300-R303 PolarHBondContact OD1-NH2 2.87Å; D300-R304 WeakPolarHBondContact O-CB 3.31Å; D300-R304 PolarHBondContact O-N 3.14Å; D300-R304 VanDerWaalsContact O-N 3.14Å
301L97.4Very high97.9Very high114 Ų114103.2 Ų103.260%0.59749%0.485SS*.Hα-helixtrans-75.3-42.6172.6-73.7169.9000111.8R297 L298 Q299 R303 R304 N305R297-L301 VanDerWaalsContact O-CG 3.31Å; R297-L301 WeakPolarHBondContact O-CG 3.4Å; R297-L301 PolarHBondContact O-N 2.77Å; R297-L301 VanDerWaalsContact O-N 3.14Å; L298-L301 WeakPolarHBondContact O-CA 3.46Å; L298-L301 WeakPolarHBondContact O-CB 3.5Å; L298-L301 PolarHBondContact O-N 2.73Å; Q299-L301 VanDerWaalsContact C-N 3.32Å; Q299-L301 PolarHBondContact O-N 3.33Å; L301-R303 PolarHBondContact O-N 3.36Å; L301-R304 PolarHBondContact O-N 3.17Å; L301-R304 VanDerWaalsContact O-N 3.17Å; L301-N305 WeakPolarHBondContact O-CB 3.31Å; L301-N305 PolarHBondContact O-N 2.89Å
302E97.9Very high97.9Very high106 Ų10699.2 Ų99.250%0.49548%0.476SS..Hα-helixtrans-60.4-44.4175.1-70.5171.5161.100111.4L298 Q299 R304 N305 T306L298-E302 HydrophobicContact CD1-CG 4.27Å; L298-E302 HydrophobicContact CG-CG 4.42Å; L298-E302 WeakPolarHBondContact O-CG 3.45Å; L298-E302 PolarHBondContact O-N 3.14Å; Q299-E302 PolarHBondContact O-N 3.04Å; E302-R304 VanDerWaalsContact C-N 3.35Å; E302-R304 PolarHBondContact O-N 3.48Å; E302-N305 PolarHBondContact O-N 3.43Å; E302-T306 PolarHBondContact O-N 3.18Å; E302-T306 PolarHBondContact O-OG1 3.5Å
303R98.1Very high98Very high123 Ų12399.9 Ų99.946%0.46448%0.479SS..Hα-helixtrans-63-37.6173.5-170.3-170.756.463.93.4112.5Q299 D300 L301 T306 E307Q299-R303 VanDerWaalsContact O-CB 3.31Å; Q299-R303 WeakPolarHBondContact O-CB 3.38Å; Q299-R303 PolarHBondContact O-N 2.94Å; D300-R303 IonicContact OD1-CZ 3.74Å; D300-R303 IonicContact OD1-NE 3.7Å; D300-R303 PolarHBondContact OD1-NE 3.04Å; D300-R303 IonicContact OD1-NH2 2.77Å; D300-R303 PolarHBondContact OD1-NH2 2.87Å; L301-R303 PolarHBondContact O-N 3.36Å; R303-T306 WeakPolarHBondContact CA-OG1 3.43Å; R303-T306 PolarHBondContact O-OG1 2.99Å; R303-T306 VanDerWaalsContact O-OG1 3.1Å; R303-E307 IonicContact NH1-OE2 3.2Å; R303-E307 WeakPolarHBondContact O-CB 3.4Å; R303-E307 PolarHBondContact O-N 3Å
304R98.3Very high98Very high152 Ų15299.4 Ų99.457%0.57449%0.486SS*.Hα-helixtrans-70.3-37.1173.8-107.4-175.6174.3122.7-1.4112.9D300 L301 E302 E307 L308D300-R304 WeakPolarHBondContact O-CB 3.31Å; D300-R304 PolarHBondContact O-N 3.14Å; D300-R304 VanDerWaalsContact O-N 3.14Å; L301-R304 PolarHBondContact O-N 3.17Å; L301-R304 VanDerWaalsContact O-N 3.17Å; E302-R304 VanDerWaalsContact C-N 3.35Å; E302-R304 PolarHBondContact O-N 3.48Å; R304-E307 PolarHBondContact O-N 3.28Å; R304-L308 VanDerWaalsContact O-CG 3.31Å; R304-L308 WeakPolarHBondContact O-CG 3.42Å; R304-L308 PolarHBondContact O-N 3.1Å
305N97.8Very high98Very high84 Ų8497.1 Ų97.145%0.44948%0.483SS..Hα-helixtrans-67.2-47.3-179.9-170.857.9000110.5L301 E302 E307 L308 E309L301-N305 WeakPolarHBondContact O-CB 3.31Å; L301-N305 PolarHBondContact O-N 2.89Å; E302-N305 PolarHBondContact O-N 3.43Å; N305-E307 VanDerWaalsContact C-N 3.31Å; N305-E307 PolarHBondContact O-N 2.81Å; N305-L308 CarbonylContact O-C 3.59Å; N305-L308 PolarHBondContact O-N 3.24Å; N305-E309 PolarHBondContact ND2-OE1 2.84Å; N305-E309 WeakPolarHBondContact O-CG 3.47Å; N305-E309 PolarHBondContact O-N 3.12Å
306T98.1Very high98Very high79 Ų79100 Ų10049%0.48550%0.495SS..Hα-helixtrans-61.6-34.9174.346.60000113.3E302 R303 S310E302-T306 PolarHBondContact O-N 3.18Å; E302-T306 PolarHBondContact O-OG1 3.5Å; R303-T306 WeakPolarHBondContact CA-OG1 3.43Å; R303-T306 PolarHBondContact O-OG1 2.99Å; R303-T306 VanDerWaalsContact O-OG1 3.1Å; T306-S310 WeakPolarHBondContact O-CB 3.46Å; T306-S310 PolarHBondContact O-N 3.06Å
307E98.3Very high98Very high92 Ų92102.7 Ų102.743%0.4351%0.506SS..Hα-helixtrans-63.4-41.7170.6-169.3-165134.100112.1R303 R304 N305 R311R303-E307 IonicContact NH1-OE2 3.2Å; R303-E307 WeakPolarHBondContact O-CB 3.4Å; R303-E307 PolarHBondContact O-N 3Å; R304-E307 PolarHBondContact O-N 3.28Å; N305-E307 VanDerWaalsContact C-N 3.31Å; N305-E307 PolarHBondContact O-N 2.81Å; E307-R311 VanDerWaalsContact O-CG 3.27Å; E307-R311 WeakPolarHBondContact O-CG 3.35Å; E307-R311 PolarHBondContact O-N 2.82Å; E307-R311 VanDerWaalsContact O-N 3.12Å
308L98.1Very high98Very high94 Ų9499 Ų9949%0.49250%0.5SS..Hα-helixtrans-71.1-40.3177.8-72.4170.3000112.6R304 N305 R311 A312R304-L308 VanDerWaalsContact O-CG 3.31Å; R304-L308 WeakPolarHBondContact O-CG 3.42Å; R304-L308 PolarHBondContact O-N 3.1Å; N305-L308 CarbonylContact O-C 3.59Å; N305-L308 PolarHBondContact O-N 3.24Å; L308-R311 PolarHBondContact O-N 3.05Å; L308-A312 WeakPolarHBondContact O-CB 3.27Å; L308-A312 PolarHBondContact O-N 3.43Å
309E98.2Very high98Very high90 Ų9099.8 Ų99.842%0.42150%0.504SS..Hα-helixtrans-60.5-45.7174.5-73.1168173.200111.2N305 R311 A312 Q313N305-E309 PolarHBondContact ND2-OE1 2.84Å; N305-E309 WeakPolarHBondContact O-CG 3.47Å; N305-E309 PolarHBondContact O-N 3.12Å; E309-R311 VanDerWaalsContact C-N 3.32Å; E309-R311 PolarHBondContact O-N 2.73Å; E309-A312 PolarHBondContact O-N 3.17Å; E309-Q313 WeakPolarHBondContact O-CG 3.49Å; E309-Q313 PolarHBondContact O-N 3.46Å
310S98.2Very high98Very high73 Ų7397.8 Ų97.851%0.5150%0.504SS..Hα-helixtrans-61.1-40.2174.8-177.80000112.2T306 S314T306-S310 WeakPolarHBondContact O-CB 3.46Å; T306-S310 PolarHBondContact O-N 3.06Å; S310-S314 WeakPolarHBondContact O-CB 3.38Å; S310-S314 PolarHBondContact O-N 3.26Å
311R98.3Very high98Very high158 Ų15897.4 Ų97.460%0.59650%0.504SS*.Hα-helixtrans-68.2-36.4175.3-74.1172.660.1-177.5-3.6112.9E307 L308 E309 A315E307-R311 VanDerWaalsContact O-CG 3.27Å; E307-R311 WeakPolarHBondContact O-CG 3.35Å; E307-R311 PolarHBondContact O-N 2.82Å; E307-R311 VanDerWaalsContact O-N 3.12Å; L308-R311 PolarHBondContact O-N 3.05Å; E309-R311 VanDerWaalsContact C-N 3.32Å; E309-R311 PolarHBondContact O-N 2.73Å; R311-A315 WeakPolarHBondContact O-CB 3.34Å; R311-A315 PolarHBondContact O-N 3.23Å
312A98.1Very high98Very high47 Ų4796 Ų9639%0.38850%0.497SS..Hα-helixtrans-64.2-51.7174.700000110.8L308 E309 S314 A315 E316L308-A312 WeakPolarHBondContact O-CB 3.27Å; L308-A312 PolarHBondContact O-N 3.43Å; E309-A312 PolarHBondContact O-N 3.17Å; A312-S314 VanDerWaalsContact C-N 3.26Å; A312-S314 PolarHBondContact O-N 3.02Å; A312-A315 PolarHBondContact O-N 3.19Å; A312-E316 WeakPolarHBondContact O-CG 3.43Å; A312-E316 PolarHBondContact O-N 3.06Å
313Q98.2Very high98Very high125 Ų12595.5 Ų95.558%0.58450%0.498SS*.Hα-helixtrans-57-38.6176.4-69.1169.215.800112.6E309 K317E309-Q313 WeakPolarHBondContact O-CG 3.49Å; E309-Q313 PolarHBondContact O-N 3.46Å; Q313-K317 WeakPolarHBondContact O-CB 3.5Å; Q313-K317 PolarHBondContact O-N 3.04Å
314S98.1Very high98Very high76 Ų7696.3 Ų96.353%0.53151%0.506SS..Hα-helixtrans-65.5-42.2175.1-168.10000112.1S310 A312 K317 T318S310-S314 WeakPolarHBondContact O-CB 3.38Å; S310-S314 PolarHBondContact O-N 3.26Å; A312-S314 VanDerWaalsContact C-N 3.26Å; A312-S314 PolarHBondContact O-N 3.02Å; S314-K317 PolarHBondContact O-N 3.04Å; S314-T318 PolarHBondContact O-N 2.95Å; S314-T318 PolarHBondContact O-OG1 2.83Å
315A97.8Very high98Very high61 Ų6195.5 Ų95.550%0.50451%0.509SS..Hα-helixtrans-68.5-41.5176.900000112.6R311 A312 K317 T318 L319R311-A315 WeakPolarHBondContact O-CB 3.34Å; R311-A315 PolarHBondContact O-N 3.23Å; A312-A315 PolarHBondContact O-N 3.19Å; A315-K317 VanDerWaalsContact C-N 3.34Å; A315-T318 PolarHBondContact O-N 3.38Å; A315-L319 WeakPolarHBondContact O-CB 3.48Å; A315-L319 PolarHBondContact O-N 2.99Å
316E97.7Very high98Very high129 Ų12997.4 Ų97.460%0.60352%0.515SS*.Hα-helixtrans-58.8-44.8173.4-72.6171.8167.500111.3A312 L319 A320A312-E316 WeakPolarHBondContact O-CG 3.43Å; A312-E316 PolarHBondContact O-N 3.06Å; E316-L319 PolarHBondContact O-N 3.3Å; E316-A320 WeakPolarHBondContact O-CB 3.42Å; E316-A320 PolarHBondContact O-N 3.41Å
317K98.1Very high98Very high153 Ų153100.3 Ų100.367%0.66552%0.523SS*.Hα-helixtrans-62.1-45.3176.2-175.8178178.2-178.90112.2Q313 S314 A315 L319 A320 T321Q313-K317 WeakPolarHBondContact O-CB 3.5Å; Q313-K317 PolarHBondContact O-N 3.04Å; S314-K317 PolarHBondContact O-N 3.04Å; A315-K317 VanDerWaalsContact C-N 3.34Å; K317-L319 VanDerWaalsContact C-N 3.32Å; K317-A320 PolarHBondContact O-N 2.98Å; K317-T321 PolarHBondContact O-N 3.04Å; K317-T321 PolarHBondContact O-OG1 3.33Å
318T98.1Very high98Very high73 Ų73101.8 Ų101.845%0.44853%0.53SS..Hα-helixtrans-65-36.2176.6-60.50000112S314 A315 T321 N322S314-T318 PolarHBondContact O-N 2.95Å; S314-T318 PolarHBondContact O-OG1 2.83Å; A315-T318 PolarHBondContact O-N 3.38Å; T318-T321 WeakPolarHBondContact CA-OG1 3.37Å; T318-T321 PolarHBondContact O-OG1 3.04Å; T318-N322 WeakPolarHBondContact O-CB 3.37Å; T318-N322 PolarHBondContact O-N 3.31Å; T318-N322 PolarHBondContact O-ND2 3.05Å; T318-N322 PolarHBondContact O-OD1 3.24Å
319L97.9Very high97.9Very high107 Ų10799.9 Ų99.956%0.5653%0.528SS*.Hα-helixtrans-65.8-41.8174.7-173.5155.2000111.1A315 E316 K317 N322 L323A315-L319 WeakPolarHBondContact O-CB 3.48Å; A315-L319 PolarHBondContact O-N 2.99Å; E316-L319 PolarHBondContact O-N 3.3Å; K317-L319 VanDerWaalsContact C-N 3.32Å; L319-N322 PolarHBondContact O-N 2.92Å; L319-L323 HydrophobicContact CD2-CD1 3.63Å; L319-L323 HydrophobicContact CD2-CG 4.18Å; L319-L323 WeakPolarHBondContact O-CG 3.32Å; L319-L323 PolarHBondContact O-N 3.02Å
320A97.9Very high97.9Very high55 Ų55100.7 Ų100.746%0.45553%0.532SS..Hα-helixtrans-61.9-45.5175.800000112.5E316 K317 N322 L323 E324E316-A320 WeakPolarHBondContact O-CB 3.42Å; E316-A320 PolarHBondContact O-N 3.41Å; K317-A320 PolarHBondContact O-N 2.98Å; A320-N322 VanDerWaalsContact C-N 3.34Å; A320-N322 PolarHBondContact O-N 3.3Å; A320-L323 PolarHBondContact O-N 2.89Å; A320-E324 PolarHBondContact O-N 2.9Å
321T98.1Very high97.9Very high54 Ų54100.9 Ų100.933%0.33153%0.53SS..Hα-helixtrans-64.2-38.5176.152.50000112.2K317 T318 L323 E324 E325K317-T321 PolarHBondContact O-N 3.04Å; K317-T321 PolarHBondContact O-OG1 3.33Å; T318-T321 WeakPolarHBondContact CA-OG1 3.37Å; T318-T321 PolarHBondContact O-OG1 3.04Å; T321-L323 VanDerWaalsContact C-N 3.3Å; T321-L323 PolarHBondContact O-N 2.99Å; T321-E324 PolarHBondContact O-N 3.34Å; T321-E325 WeakPolarHBondContact O-CG 3.3Å; T321-E325 PolarHBondContact O-N 3.46Å
322N97.5Very high97.9Very high86 Ų8696.8 Ų96.846%0.4652%0.517SS..Hα-helixtrans-66-32.4176.9-67.3-4000112.4T318 L319 A320 Q326T318-N322 WeakPolarHBondContact O-CB 3.37Å; T318-N322 PolarHBondContact O-N 3.31Å; T318-N322 PolarHBondContact O-ND2 3.05Å; T318-N322 PolarHBondContact O-OD1 3.24Å; L319-N322 PolarHBondContact O-N 2.92Å; A320-N322 VanDerWaalsContact C-N 3.34Å; A320-N322 PolarHBondContact O-N 3.3Å; N322-Q326 WeakPolarHBondContact O-CB 3.43Å; N322-Q326 PolarHBondContact O-N 3.42Å
323L97.8Very high97.9Very high95 Ų9598.3 Ų98.350%0.49752%0.522SS..Hα-helixtrans-71.3-40.9173.8-73.2176.6000112L319 A320 T321 Q326 E327L319-L323 HydrophobicContact CD2-CD1 3.63Å; L319-L323 HydrophobicContact CD2-CG 4.18Å; L319-L323 WeakPolarHBondContact O-CG 3.32Å; L319-L323 PolarHBondContact O-N 3.02Å; A320-L323 PolarHBondContact O-N 2.89Å; T321-L323 VanDerWaalsContact C-N 3.3Å; T321-L323 PolarHBondContact O-N 2.99Å; L323-Q326 PolarHBondContact O-N 2.95Å; L323-E327 PolarHBondContact O-N 3.22Å
324E98Very high97.9Very high139 Ų13997.6 Ų97.665%0.6552%0.518SS*.Hα-helixtrans-63-43174.8-173175.8-170.600111.3A320 T321 Q326 E327 Q328A320-E324 PolarHBondContact O-N 2.9Å; T321-E324 PolarHBondContact O-N 3.34Å; E324-Q326 VanDerWaalsContact C-N 3.35Å; E324-Q326 PolarHBondContact O-N 3.38Å; E324-E327 PolarHBondContact O-N 3.49Å; E324-Q328 VanDerWaalsContact O-CB 3.32Å; E324-Q328 WeakPolarHBondContact O-CB 3.43Å; E324-Q328 PolarHBondContact O-N 3.3Å
325E97.7Very high97.9Very high135 Ų135100.5 Ų100.563%0.63152%0.518SS*.Hα-helixtrans-62.7-38.6172-73.6-179.4-169.500112.4T321 A329T321-E325 WeakPolarHBondContact O-CG 3.3Å; T321-E325 PolarHBondContact O-N 3.46Å; E325-A329 VanDerWaalsContact O-CB 3.3Å; E325-A329 WeakPolarHBondContact O-CB 3.39Å; E325-A329 PolarHBondContact O-N 3.45Å
326Q97.6Very high97.9Very high124 Ų124101.3 Ų101.358%0.57951%0.513SS*.Hα-helixtrans-67.2-44.7176.4-178.1-179.4-24.100112.1N322 L323 E324 A329 E330N322-Q326 WeakPolarHBondContact O-CB 3.43Å; N322-Q326 PolarHBondContact O-N 3.42Å; L323-Q326 PolarHBondContact O-N 2.95Å; E324-Q326 VanDerWaalsContact C-N 3.35Å; E324-Q326 PolarHBondContact O-N 3.38Å; Q326-A329 PolarHBondContact O-N 2.87Å; Q326-E330 PolarHBondContact O-N 2.9Å
327E97.9Very high97.9Very high140 Ų14099.3 Ų99.365%0.65451%0.505SS*.Hα-helixtrans-62.7-45.1176.8-176.3174-178.100110.7L323 E324 A329 E330 V331L323-E327 PolarHBondContact O-N 3.22Å; E324-E327 PolarHBondContact O-N 3.49Å; E327-A329 VanDerWaalsContact C-N 3.3Å; E327-A329 PolarHBondContact O-N 2.97Å; E327-E330 PolarHBondContact O-N 2.72Å; E327-E330 VanDerWaalsContact O-N 3.16Å; E327-V331 WeakPolarHBondContact O-CG2 3.32Å; E327-V331 PolarHBondContact O-N 2.83Å
328Q97.9Very high97.9Very high124 Ų12493.7 Ų93.758%0.57949%0.491SS*.Hα-helixtrans-63.3-35.2176.4-176.855.284.400112.5E324 E332E324-Q328 VanDerWaalsContact O-CB 3.32Å; E324-Q328 WeakPolarHBondContact O-CB 3.43Å; E324-Q328 PolarHBondContact O-N 3.3Å; Q328-E332 PolarHBondContact O-N 3.35Å
329A97.4Very high97.9Very high54 Ų5493.3 Ų93.345%0.44649%0.488SS..Hα-helixtrans-69.6-38.3172.900000112.4E325 Q326 E327 E332 V333E325-A329 VanDerWaalsContact O-CB 3.3Å; E325-A329 WeakPolarHBondContact O-CB 3.39Å; E325-A329 PolarHBondContact O-N 3.45Å; Q326-A329 PolarHBondContact O-N 2.87Å; E327-A329 VanDerWaalsContact C-N 3.3Å; E327-A329 PolarHBondContact O-N 2.97Å; A329-E332 PolarHBondContact O-N 2.91Å; A329-V333 WeakPolarHBondContact O-CG2 3.3Å; A329-V333 PolarHBondContact O-N 3.16Å
330E98.1Very high97.9Very high107 Ų10792.5 Ų92.550%0.548%0.484SS..Hα-helixtrans-64.7-45.2175.5-164.3-174.6141.600111.3Q326 E327 E332 V333 Q334Q326-E330 PolarHBondContact O-N 2.9Å; E327-E330 PolarHBondContact O-N 2.72Å; E327-E330 VanDerWaalsContact O-N 3.16Å; E330-E332 VanDerWaalsContact C-N 3.29Å; E330-E332 PolarHBondContact O-N 2.61Å; E330-V333 PolarHBondContact O-N 2.85Å; E330-V333 VanDerWaalsContact O-N 3.12Å; E330-Q334 HydrophobicContact CG-CG 4.48Å; E330-Q334 WeakPolarHBondContact O-CG 3.37Å; E330-Q334 PolarHBondContact O-N 3.12Å; E330-Q334 PolarHBondContact OE1-NE2 2.98Å
331V98.1Very high97.9Very high76 Ų7694.6 Ų94.646%0.46149%0.488SS..Hα-helixtrans-57.7-41.2175.4170.30000111.6E327 Q334 R335E327-V331 WeakPolarHBondContact O-CG2 3.32Å; E327-V331 PolarHBondContact O-N 2.83Å; V331-Q334 PolarHBondContact O-N 3.34Å; V331-R335 WeakPolarHBondContact O-CB 3.47Å; V331-R335 PolarHBondContact O-N 2.98Å
332E97.9Very high97.8Very high72 Ų7296.5 Ų96.534%0.33650%0.499SS..Hα-helixtrans-67-39.2175.8176.258.5-162.500112.1Q328 A329 E330 R335 I336Q328-E332 PolarHBondContact O-N 3.35Å; A329-E332 PolarHBondContact O-N 2.91Å; E330-E332 VanDerWaalsContact C-N 3.29Å; E330-E332 PolarHBondContact O-N 2.61Å; E332-R335 WeakPolarHBondContact O-CB 3.37Å; E332-R335 PolarHBondContact O-N 3.21Å; E332-R335 IonicContact OE1-CZ 3.5Å; E332-R335 IonicContact OE1-NE 3.76Å; E332-R335 IonicContact OE1-NH2 2.61Å; E332-R335 PolarHBondContact OE1-NH2 3.38Å; E332-R335 IonicContact OE2-CZ 3.21Å; E332-R335 IonicContact OE2-NE 2.72Å; E332-R335 PolarHBondContact OE2-NE 3.17Å; E332-R335 IonicContact OE2-NH2 2.91Å; E332-R335 PolarHBondContact OE2-NH2 2.94Å; E332-I336 HydrophobicContact CG-CD1 4.17Å; E332-I336 VanDerWaalsContact O-CG1 3.3Å; E332-I336 WeakPolarHBondContact O-CG1 3.4Å; E332-I336 PolarHBondContact O-N 3.19Å
333V98.1Very high97.8Very high80 Ų8098.1 Ų98.149%0.48550%0.502SS..Hα-helixtrans-64.1-45.8173.4168.90000111.4A329 E330 R335 I336 I337A329-V333 WeakPolarHBondContact O-CG2 3.3Å; A329-V333 PolarHBondContact O-N 3.16Å; E330-V333 PolarHBondContact O-N 2.85Å; E330-V333 VanDerWaalsContact O-N 3.12Å; V333-R335 VanDerWaalsContact C-N 3.29Å; V333-R335 PolarHBondContact O-N 3.49Å; V333-I336 PolarHBondContact O-N 3.47Å; V333-I336 VanDerWaalsContact O-N 3.17Å; V333-I337 HydrophobicContact CG1-CD1 3.94Å; V333-I337 WeakPolarHBondContact O-CG1 3.41Å; V333-I337 PolarHBondContact O-N 3.07Å
334Q97.8Very high97.8Very high109 Ų10997.2 Ų97.251%0.50950%0.497SS..Hα-helixtrans-59.3-40.7175.1-68.4-178.920.100111.3E330 V331 I337 G338E330-Q334 HydrophobicContact CG-CG 4.48Å; E330-Q334 WeakPolarHBondContact O-CG 3.37Å; E330-Q334 PolarHBondContact O-N 3.12Å; E330-Q334 PolarHBondContact OE1-NE2 2.98Å; V331-Q334 PolarHBondContact O-N 3.34Å; Q334-I337 PolarHBondContact O-N 3.47Å; Q334-G338 PolarHBondContact O-N 2.93Å
335R98Very high97.8Very high138 Ų13892.3 Ų92.352%0.52148%0.484SS..Hα-helixtrans-62.6-42.1174.4-168.8-173.769.277.6-5.3112.4V331 E332 V333 G338 V339V331-R335 WeakPolarHBondContact O-CB 3.47Å; V331-R335 PolarHBondContact O-N 2.98Å; E332-R335 WeakPolarHBondContact O-CB 3.37Å; E332-R335 PolarHBondContact O-N 3.21Å; E332-R335 IonicContact OE1-CZ 3.5Å; E332-R335 IonicContact OE1-NE 3.76Å; E332-R335 IonicContact OE1-NH2 2.61Å; E332-R335 PolarHBondContact OE1-NH2 3.38Å; E332-R335 IonicContact OE2-CZ 3.21Å; E332-R335 IonicContact OE2-NE 2.72Å; E332-R335 PolarHBondContact OE2-NE 3.17Å; E332-R335 IonicContact OE2-NH2 2.91Å; E332-R335 PolarHBondContact OE2-NH2 2.94Å; V333-R335 VanDerWaalsContact C-N 3.29Å; V333-R335 PolarHBondContact O-N 3.49Å; R335-G338 PolarHBondContact O-N 3.17Å; R335-V339 WeakPolarHBondContact O-CG2 3.35Å; R335-V339 PolarHBondContact O-N 2.94Å
336I98.1Very high97.7Very high77 Ų7790.4 Ų90.440%0.39548%0.478SS..Hα-helixtrans-64.9-41.9176.3-70.7164.8000110.9E332 V333 G338 V339 L340E332-I336 HydrophobicContact CG-CD1 4.17Å; E332-I336 VanDerWaalsContact O-CG1 3.3Å; E332-I336 WeakPolarHBondContact O-CG1 3.4Å; E332-I336 PolarHBondContact O-N 3.19Å; V333-I336 PolarHBondContact O-N 3.47Å; V333-I336 VanDerWaalsContact O-N 3.17Å; I336-G338 PolarHBondContact O-N 3.39Å; I336-V339 PolarHBondContact O-N 3.35Å; I336-L340 HydrophobicContact CG2-CD1 4.08Å; I336-L340 HydrophobicContact CG2-CG 4.45Å; I336-L340 WeakPolarHBondContact O-CG 3.24Å; I336-L340 PolarHBondContact O-N 2.93Å
337I97.8Very high97.7Very high87 Ų8790 Ų9045%0.44648%0.479SS..Hα-helixtrans-57.7-49.4175.8-69.3165.2000110.5V333 Q334 V339 L340 D341V333-I337 HydrophobicContact CG1-CD1 3.94Å; V333-I337 WeakPolarHBondContact O-CG1 3.41Å; V333-I337 PolarHBondContact O-N 3.07Å; Q334-I337 PolarHBondContact O-N 3.47Å; I337-V339 VanDerWaalsContact C-N 3.29Å; I337-V339 PolarHBondContact O-N 2.85Å; I337-L340 WeakPolarHBondContact O-CA 3.39Å; I337-L340 WeakPolarHBondContact O-CB 3.44Å; I337-L340 PolarHBondContact O-N 3.31Å; I337-D341 PolarHBondContact O-N 3.45Å
338G97.6Very high97.6Very high35 Ų3588.5 Ų88.536%0.36147%0.47SS..Hα-helixtrans-58.9-36177.200000114Q334 R335 I336 V342Q334-G338 PolarHBondContact O-N 2.93Å; R335-G338 PolarHBondContact O-N 3.17Å; I336-G338 PolarHBondContact O-N 3.39Å; G338-V342 WeakPolarHBondContact O-CG2 3.43Å; G338-V342 PolarHBondContact O-N 3.31Å
339V98Very high97.5Very high65 Ų6584.1 Ų84.139%0.39446%0.458SS..Hα-helixtrans-69.7-33.6174171.70000112.1R335 I336 I337 K343R335-V339 WeakPolarHBondContact O-CG2 3.35Å; R335-V339 PolarHBondContact O-N 2.94Å; I336-V339 PolarHBondContact O-N 3.35Å; I337-V339 VanDerWaalsContact C-N 3.29Å; I337-V339 PolarHBondContact O-N 2.85Å; V339-K343 HydrophobicContact CG1-CD 4.46Å; V339-K343 WeakPolarHBondContact O-CG 3.47Å; V339-K343 PolarHBondContact O-N 3.32Å
340L97.8Very high97.4Very high90 Ų9086.6 Ų86.647%0.47146%0.463SS..Hα-helixtrans-70.6-42.2175.1-69.7170.6000111.6I336 I337 V342 K343 I344I336-L340 HydrophobicContact CG2-CD1 4.08Å; I336-L340 HydrophobicContact CG2-CG 4.45Å; I336-L340 WeakPolarHBondContact O-CG 3.24Å; I336-L340 PolarHBondContact O-N 2.93Å; I337-L340 WeakPolarHBondContact O-CA 3.39Å; I337-L340 WeakPolarHBondContact O-CB 3.44Å; I337-L340 PolarHBondContact O-N 3.31Å; L340-V342 PolarHBondContact O-N 2.91Å; L340-K343 PolarHBondContact O-N 2.99Å; L340-I344 WeakPolarHBondContact O-CB 3.43Å; L340-I344 VanDerWaalsContact O-CG1 3.24Å; L340-I344 WeakPolarHBondContact O-CG1 3.32Å; L340-I344 PolarHBondContact O-N 3.27Å
341D98.1Very high97.3Very high100 Ų10089.3 Ų89.354%0.53547%0.469SS..Hα-helixtrans-60.9-42.5178.1-79.9-38000112.5I337 I344 G345I337-D341 PolarHBondContact O-N 3.45Å; D341-I344 PolarHBondContact O-N 2.97Å; D341-G345 PolarHBondContact O-N 3.44Å
342V97.5Very high97.1Very high93 Ų9390.1 Ų90.156%0.56447%0.467SS*.Hα-helixtrans-59.1-50.5173.4173.10000110.8G338 L340 I344 G345 D346G338-V342 WeakPolarHBondContact O-CG2 3.43Å; G338-V342 PolarHBondContact O-N 3.31Å; L340-V342 PolarHBondContact O-N 2.91Å; V342-I344 VanDerWaalsContact C-N 3.29Å; V342-I344 PolarHBondContact O-N 3.38Å; V342-G345 CarbonylContact O-C 3.57Å; V342-G345 VanDerWaalsContact O-CA 3.31Å; V342-G345 WeakPolarHBondContact O-CA 3.45Å; V342-G345 PolarHBondContact O-N 3.22Å; V342-D346 PolarHBondContact O-N 3.03Å
343K97.6Very high97Very high120 Ų12090.2 Ų90.252%0.52248%0.476SS..Hα-helixtrans-62.1-34.5178.5-73.1177.3178.3-178.30113.1V339 L340 G345 D346 L347V339-K343 HydrophobicContact CG1-CD 4.46Å; V339-K343 WeakPolarHBondContact O-CG 3.47Å; V339-K343 PolarHBondContact O-N 3.32Å; L340-K343 PolarHBondContact O-N 2.99Å; K343-G345 VanDerWaalsContact C-N 3.32Å; K343-D346 PolarHBondContact O-N 3.27Å; K343-L347 WeakPolarHBondContact O-CB 3.42Å; K343-L347 VanDerWaalsContact O-CG 3.27Å; K343-L347 WeakPolarHBondContact O-CG 3.21Å; K343-L347 PolarHBondContact O-N 2.9Å
344I97.4Very high96.7Very high77 Ų7791.8 Ų91.840%0.39548%0.481SS..Hα-helixtrans-67.8-35.6173.9-72.2165.4000110.4L340 D341 V342 K348L340-I344 WeakPolarHBondContact O-CB 3.43Å; L340-I344 VanDerWaalsContact O-CG1 3.24Å; L340-I344 WeakPolarHBondContact O-CG1 3.32Å; L340-I344 PolarHBondContact O-N 3.27Å; D341-I344 PolarHBondContact O-N 2.97Å; V342-I344 VanDerWaalsContact C-N 3.29Å; V342-I344 PolarHBondContact O-N 3.38Å; I344-K348 HydrophobicContact CG2-CD 4.27Å; I344-K348 WeakPolarHBondContact O-CD 3.41Å; I344-K348 WeakPolarHBondContact O-CG 3.27Å; I344-K348 PolarHBondContact O-N 3.42Å; I344-K348 VanDerWaalsContact O-N 3.12Å
345G96.8Very high96.5Very high36 Ų3688.9 Ų88.937%0.37148%0.476SS..Hα-helixtrans-60.4-52.8168.700000112.6D341 V342 K343 L347 K348 G349D341-G345 PolarHBondContact O-N 3.44Å; V342-G345 CarbonylContact O-C 3.57Å; V342-G345 VanDerWaalsContact O-CA 3.31Å; V342-G345 WeakPolarHBondContact O-CA 3.45Å; V342-G345 PolarHBondContact O-N 3.22Å; K343-G345 VanDerWaalsContact C-N 3.32Å; G345-L347 VanDerWaalsContact C-N 3.34Å; G345-L347 PolarHBondContact O-N 2.98Å; G345-K348 WeakPolarHBondContact O-CB 3.31Å; G345-K348 PolarHBondContact O-N 2.9Å; G345-K348 VanDerWaalsContact O-N 3.13Å; G345-G349 PolarHBondContact O-N 3.19Å
346D96.9Very high96.1Very high95 Ų9588.6 Ų88.651%0.50848%0.478SS..Hα-helixtrans-56.8-46.3178.6-63.6-34.2000111.7V342 K343 K348 G349 L350V342-D346 PolarHBondContact O-N 3.03Å; K343-D346 PolarHBondContact O-N 3.27Å; D346-K348 VanDerWaalsContact C-N 3.35Å; D346-K348 PolarHBondContact O-N 3.12Å; D346-G349 PolarHBondContact O-N 3.13Å; D346-L350 WeakPolarHBondContact O-CB 3.37Å; D346-L350 WeakPolarHBondContact O-CG 3.47Å; D346-L350 PolarHBondContact O-N 2.85Å
347L97.1Very high95.8Very high116 Ų11690.7 Ų90.761%0.60749%0.49SS*.Hα-helixtrans-64.4-35.1178-73.1170.1000112.9K343 G345 R351K343-L347 WeakPolarHBondContact O-CB 3.42Å; K343-L347 VanDerWaalsContact O-CG 3.27Å; K343-L347 WeakPolarHBondContact O-CG 3.21Å; K343-L347 PolarHBondContact O-N 2.9Å; G345-L347 VanDerWaalsContact C-N 3.34Å; G345-L347 PolarHBondContact O-N 2.98Å; L347-R351 WeakPolarHBondContact O-CB 3.36Å; L347-R351 PolarHBondContact O-N 2.92Å
348K95.8Very high95.2Very high108 Ų10892.2 Ų92.247%0.4750%0.503SS..Hα-helixtrans-64.6-47.3171.9-72.7161.9-176.4169.70110.8I344 G345 D346 L350 R351 E352I344-K348 HydrophobicContact CG2-CD 4.27Å; I344-K348 WeakPolarHBondContact O-CD 3.41Å; I344-K348 WeakPolarHBondContact O-CG 3.27Å; I344-K348 PolarHBondContact O-N 3.42Å; I344-K348 VanDerWaalsContact O-N 3.12Å; G345-K348 WeakPolarHBondContact O-CB 3.31Å; G345-K348 PolarHBondContact O-N 2.9Å; G345-K348 VanDerWaalsContact O-N 3.13Å; D346-K348 VanDerWaalsContact C-N 3.35Å; D346-K348 PolarHBondContact O-N 3.12Å; K348-L350 PolarHBondContact O-N 3.49Å; K348-R351 WeakPolarHBondContact O-CB 3.36Å; K348-R351 PolarHBondContact O-N 2.99Å; K348-E352 WeakPolarHBondContact O-CG 3.4Å; K348-E352 PolarHBondContact O-N 3.49Å
349G95.7Very high94.1Very high31 Ų3197.1 Ų97.132%0.3252%0.521SS..Hα-helixtrans-63.1-39.3178.400000113.6G345 D346 E352 S353G345-G349 PolarHBondContact O-N 3.19Å; D346-G349 PolarHBondContact O-N 3.13Å; G349-E352 PolarHBondContact O-N 2.93Å; G349-S353 WeakPolarHBondContact O-CB 3.49Å; G349-S353 PolarHBondContact O-N 3.44Å; G349-S353 PolarHBondContact O-OG 3.26Å
350L95.9Very high92Very high106 Ų106105.1 Ų105.156%0.55555%0.55SS**Hα-helixtrans-63.4-46.7172.4-74170.6000111.6D346 K348 E352 S353 L354D346-L350 WeakPolarHBondContact O-CB 3.37Å; D346-L350 WeakPolarHBondContact O-CG 3.47Å; D346-L350 PolarHBondContact O-N 2.85Å; K348-L350 PolarHBondContact O-N 3.49Å; L350-E352 VanDerWaalsContact C-N 3.35Å; L350-E352 PolarHBondContact O-N 3.23Å; L350-S353 PolarHBondContact O-N 3.43Å; L350-L354 WeakPolarHBondContact O-CG 3.41Å; L350-L354 PolarHBondContact O-N 2.96Å
351R95.3Very high91.7Very high164 Ų164105.9 Ų105.962%0.61955%0.554SS**Hα-helixtrans-59.6-42.8176.5-177.8-169.165.9168.92112.2L347 K348 S353 L354 A355L347-R351 WeakPolarHBondContact O-CB 3.36Å; L347-R351 PolarHBondContact O-N 2.92Å; K348-R351 WeakPolarHBondContact O-CB 3.36Å; K348-R351 PolarHBondContact O-N 2.99Å; R351-S353 VanDerWaalsContact C-N 3.34Å; R351-L354 PolarHBondContact O-N 2.98Å; R351-A355 PolarHBondContact O-N 3.14Å
352E94.7Very high91.3Very high93 Ų93106.2 Ų106.244%0.43556%0.555SS.*Hα-helixtrans-67.9-33.9176.5-73.6169.5-148.900112.8K348 G349 L350 K356K348-E352 WeakPolarHBondContact O-CG 3.4Å; K348-E352 PolarHBondContact O-N 3.49Å; G349-E352 PolarHBondContact O-N 2.93Å; L350-E352 VanDerWaalsContact C-N 3.35Å; L350-E352 PolarHBondContact O-N 3.23Å; E352-K356 WeakPolarHBondContact O-CD 3.37Å; E352-K356 VanDerWaalsContact O-CG 3.27Å; E352-K356 WeakPolarHBondContact O-CG 3.36Å; E352-K356 PolarHBondContact O-N 3.05Å
353S94.3Very high91Very high74 Ų74106.9 Ų106.952%0.51756%0.555SS.*Hα-helixtrans-70.8-37.1175.4-58.20000111.9G349 L350 R351 L357G349-S353 WeakPolarHBondContact O-CB 3.49Å; G349-S353 PolarHBondContact O-N 3.44Å; G349-S353 PolarHBondContact O-OG 3.26Å; L350-S353 PolarHBondContact O-N 3.43Å; R351-S353 VanDerWaalsContact C-N 3.34Å; S353-L357 PolarHBondContact O-N 3.35Å
354L93.6Very high90.6Very high113 Ų113106.2 Ų106.259%0.59256%0.557SS**Hα-helixtrans-66.8-42.5172.6-72.4168.1000111.9L350 R351 K356 L357 V358L350-L354 WeakPolarHBondContact O-CG 3.41Å; L350-L354 PolarHBondContact O-N 2.96Å; R351-L354 PolarHBondContact O-N 2.98Å; L354-K356 PolarHBondContact O-N 2.94Å; L354-L357 WeakPolarHBondContact O-CB 3.27Å; L354-L357 PolarHBondContact O-N 3.02Å; L354-V358 PolarHBondContact O-N 2.74Å; L354-V358 VanDerWaalsContact O-N 3.14Å
355A92.3Very high90.2Very high48 Ų48108 Ų10840%0.39757%0.567SS.*Hα-helixtrans-57.4-48.8175.100000111.7R351 L357 V358 D359R351-A355 PolarHBondContact O-N 3.14Å; A355-L357 PolarHBondContact O-N 3.46Å; A355-V358 PolarHBondContact O-N 3.01Å; A355-D359 PolarHBondContact O-N 3.18Å
356K90.9Very high89.7Confident132 Ų132112.8 Ų112.857%0.57458%0.58SS**Hα-helixtrans-61.9-11.5175.3-68.8164-173.5161.50114.9E352 L354E352-K356 WeakPolarHBondContact O-CD 3.37Å; E352-K356 VanDerWaalsContact O-CG 3.27Å; E352-K356 WeakPolarHBondContact O-CG 3.36Å; E352-K356 PolarHBondContact O-N 3.05Å; L354-K356 PolarHBondContact O-N 2.94Å
357L90Very high89.2Confident122 Ų122114.1 Ų114.164%0.63959%0.585SS**Hα-helixtrans-97.8-21.2174.7-166.767.2000112.4S353 L354 A355S353-L357 PolarHBondContact O-N 3.35Å; L354-L357 WeakPolarHBondContact O-CB 3.27Å; L354-L357 PolarHBondContact O-N 3.02Å; A355-L357 PolarHBondContact O-N 3.46Å
358V85.9Confident88.6Confident119 Ų119113.9 Ų113.972%0.72158%0.584SS**Hα-helixtrans-87.4-27.9174.21750000111.5L354 A355 K360L354-V358 PolarHBondContact O-N 2.74Å; L354-V358 VanDerWaalsContact O-N 3.14Å; A355-V358 PolarHBondContact O-N 3.01Å; V358-K360 PolarHBondContact O-N 3.05Å
359D74.1Confident88Confident137 Ų137114.4 Ų114.473%0.73359%0.593SS**  trans-77.229.4173.2-62.6-36.5000113.3A355A355-D359 PolarHBondContact O-N 3.18Å
360K53.9Low87.3Confident234 Ų234122 Ų122100%1.01762%0.618SS**  trans-139.20-176.8-84.2-172.6170.9-176.30113.1V358V358-K360 PolarHBondContact O-N 3.05Å

Retrieved 360 of 360 residues in 541.4 ms (Link to these results)

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