A0A087WTW9_HUMAN Loading...

Regulator of G protein signaling 6

AlphaFold DB , UniProt , Accession A0A087WTW9, Species HUMAN (Homo sapiens, Human), Gene RGS6, Length 455 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
1M91.5Very high86.2Confident55 Ų5577.2 Ų77.227%0.27143%0.426SS..  0-47.70-68.4-172.782.700113.8G8 V9 I30 W33 I59 F78M1-G8 CarbonylContact O-C 3.6Å; M1-G8 WeakPolarHBondContact O-CA 3.46Å; M1-V9 HydrophobicContact CE-CG2 4Å; M1-V9 PolarHBondContact O-N 3.41Å; M1-I30 HydrophobicContact CE-CB 4.38Å; M1-I30 HydrophobicContact CE-CG1 4.24Å; M1-I30 HydrophobicContact CE-CG2 3.56Å; M1-W33 HydrophobicContact CB-CH2 4.4Å; M1-W33 HydrophobicContact CB-CZ2 4.47Å; M1-W33 HydrophobicContact CE-CE3 4.16Å; M1-W33 HydrophobicContact CG-CD2 4.02Å; M1-W33 HydrophobicContact CG-CE3 3.54Å; M1-W33 HydrophobicContact CG-CH2 3.45Å; M1-W33 VanDerWaalsContact CG-CH2 3.45Å; M1-W33 HydrophobicContact CG-CZ2 3.91Å; M1-W33 HydrophobicContact CG-CZ3 3.24Å; M1-W33 HydrophobicContact SD-CE3 4.26Å; M1-W33 HydrophobicContact SD-CZ3 4.09Å; M1-I59 HydrophobicContact CE-CD1 3.7Å; M1-I59 HydrophobicContact SD-CD1 3.99Å; M1-F78 HydrophobicContact CB-CE1 3.91Å; M1-F78 HydrophobicContact CB-CZ 3.96Å; M1-F78 HydrophobicContact CE-CE1 4.21Å; M1-F78 HydrophobicContact CE-CZ 4.28Å; M1-F78 HydrophobicContact SD-CE1 4.28Å
2Q89.8Confident86.6Confident105 Ų10582.7 Ų82.749%0.49144%0.435SS..  trans-93.84.4-174.8-62-178.2-7300115.2F78Q2-F78 HydrophobicContact CG-CD1 3.82Å; Q2-F78 HydrophobicContact CG-CD2 3.72Å; Q2-F78 HydrophobicContact CG-CE1 3.86Å; Q2-F78 HydrophobicContact CG-CE2 3.75Å; Q2-F78 HydrophobicContact CG-CG 3.76Å; Q2-F78 HydrophobicContact CG-CZ 3.83Å; Q2-F78 VanDerWaalsContact NE2-CG 3.32Å
3D85.3Confident87Confident74 Ų7481.9 Ų81.940%0.39644%0.436SS..  trans-94.4106.8-177.4177.313.8000110.7K5 T6 G8D3-K5 PolarHBondContact O-N 3.36Å; D3-K5 WeakPolarHBondContact OD1-CB 3.41Å; D3-K5 PolarHBondContact OD1-N 3.11Å; D3-T6 VanDerWaalsContact CB-OG1 3.28Å; D3-T6 WeakPolarHBondContact CB-OG1 3.12Å; D3-T6 PolarHBondContact O-N 3Å; D3-T6 PolarHBondContact O-OG1 2.84Å; D3-T6 WeakPolarHBondContact OD2-CB 3.44Å; D3-T6 WeakPolarHBondContact OD2-CG2 3.38Å; D3-T6 PolarHBondContact OD2-OG1 3Å; D3-G8 WeakPolarHBondContact O-CA 3.4Å; D3-G8 PolarHBondContact O-N 3.29Å
4D74.1Confident87.2Confident128 Ų12879.4 Ų79.468%0.68443%0.425SS*.G310 helixtrans-63.9-25.9180-66-22000112.5T6D4-T6 VanDerWaalsContact C-N 3.34Å
5K75.2Confident87.3Confident200 Ų20084.9 Ų84.987%0.8744%0.444SS*.G310 helixtrans-76-24.9-178.3-63.2-177.9179.3179.10112.8D3D3-K5 PolarHBondContact O-N 3.36Å; D3-K5 WeakPolarHBondContact OD1-CB 3.41Å; D3-K5 PolarHBondContact OD1-N 3.11Å
6T77.4Confident87.1Confident100 Ų10083.7 Ų83.761%0.61345%0.445SS*.G310 helixtrans-106.915.4-17853.90000112.7D3 D4D3-T6 VanDerWaalsContact CB-OG1 3.28Å; D3-T6 WeakPolarHBondContact CB-OG1 3.12Å; D3-T6 PolarHBondContact O-N 3Å; D3-T6 PolarHBondContact O-OG1 2.84Å; D3-T6 WeakPolarHBondContact OD2-CB 3.44Å; D3-T6 WeakPolarHBondContact OD2-CG2 3.38Å; D3-T6 PolarHBondContact OD2-OG1 3Å; D4-T6 VanDerWaalsContact C-N 3.34Å
7G84.4Confident86.7Confident47 Ų4790.9 Ų90.949%0.48547%0.472SS..THydrogen-bonded Turntrans79.641.9178.300000113.3W33G7-W33 VanDerWaalsContact O-CD1 3.25Å; G7-W33 PolarHBondContact O-NE1 3.2Å
8G91.1Very high86.2Confident17 Ų1794.7 Ų94.718%0.17549%0.492CS..  trans-58.9174.9170.800000114.6M1 D3M1-G8 CarbonylContact O-C 3.6Å; M1-G8 WeakPolarHBondContact O-CA 3.46Å; D3-G8 WeakPolarHBondContact O-CA 3.4Å; D3-G8 PolarHBondContact O-N 3.29Å
9V94.6Very high85.8Confident0 Ų092.2 Ų92.20%048%0.483CS..  trans-72.6133.2177.8-174.20000109M1 I11 V25 D29 I30 W33M1-V9 HydrophobicContact CE-CG2 4Å; M1-V9 PolarHBondContact O-N 3.41Å; V9-I11 PolarHBondContact O-N 3.4Å; V9-V25 HydrophobicContact CB-CG1 4.3Å; V9-V25 HydrophobicContact CG1-CB 3.78Å; V9-V25 HydrophobicContact CG1-CG1 3.7Å; V9-V25 HydrophobicContact CG1-CG2 4.47Å; V9-D29 HydrophobicContact CG1-CB 3.66Å; V9-I30 HydrophobicContact CG1-CG1 4.17Å; V9-W33 HydrophobicContact CG2-CB 3.66Å; V9-W33 HydrophobicContact CG2-CD2 4.13Å; V9-W33 HydrophobicContact CG2-CG 3.56Å
10P91.2Very high85.9Confident50 Ų5093.8 Ų93.833%0.32549%0.486SS..  trans-68.4107.4-175.827.4-35.7000112.2D29P10-D29 HydrophobicContact CG-CB 4.32Å
11I93.4Very high86Confident73 Ų7391.4 Ų91.437%0.37447%0.474SS..  trans-80.5123.3176.1-57.9172.3000109.8V9 V25 F78V9-I11 PolarHBondContact O-N 3.4Å; I11-V25 HydrophobicContact CB-CG1 4.3Å; I11-V25 HydrophobicContact CG1-CG1 3.72Å; I11-F78 HydrophobicContact CD1-CD2 4.29Å; I11-F78 HydrophobicContact CD1-CE2 4.24Å; I11-F78 HydrophobicContact CG1-CE2 4.34Å
12R91.1Very high86Confident143 Ų14389.4 Ų89.454%0.5447%0.465SS..EExtended strand (participates in β ladder)trans-123.2158.7-173.9-59.6-179.5-171174.26.8112.4S23 V24R12-S23 PolarHBondContact O-N 3.32Å; R12-V24 PolarHBondContact N-O 2.95Å; R12-V24 WeakPolarHBondContact O-CG2 3.12Å; R12-V24 PolarHBondContact O-N 3.43Å
13T91.7Very high86Confident73 Ų7387 Ų8745%0.44846%0.46SS..EExtended strand (participates in β ladder)trans-107113.7164.4-66.40000108.8K20 I21T13-K20 HydrophobicContact CG2-CD 4.34Å; T13-K20 HydrophobicContact CG2-CG 3.82Å; T13-I21 CarbonylContact C-O 3.6Å; T13-I21 WeakPolarHBondContact CA-O 3.45Å
14V89.9Confident86.5Confident47 Ų4783.7 Ų83.729%0.28544%0.442SS..EExtended strand (participates in β ladder)trans-90.7128.3-178.3-177.90000109.4K20 I21 V24 F75V14-K20 CarbonylContact O-C 3.39Å; V14-K20 WeakPolarHBondContact O-CA 3.3Å; V14-I21 PolarHBondContact N-O 3.44Å; V14-I21 PolarHBondContact O-N 3.04Å; V14-V24 HydrophobicContact CG2-CG2 3.79Å; V14-F75 HydrophobicContact CB-CZ 4.32Å; V14-F75 HydrophobicContact CG1-CE2 4.42Å; V14-F75 HydrophobicContact CG1-CZ 4.05Å; V14-F75 HydrophobicContact CG2-CE1 3.75Å; V14-F75 HydrophobicContact CG2-CZ 3.76Å
15K88.8Confident87.6Confident161 Ų16177.7 Ų77.770%0.741%0.41SS*.EExtended strand (participates in β ladder)trans-112.1130176.2-67.6179.1-176174.90109.2K20K15-K20 HydrophobicContact CG-CD 4.47Å; K15-K20 HydrophobicContact CG-CG 4.08Å
16S84.8Confident88.6Confident66 Ų6669.5 Ų69.546%0.46238%0.377SS..  trans-126.3169.4170.564.90000109L18 S19S16-L18 PolarHBondContact O-N 3.45Å; S16-S19 PolarHBondContact N-O 3.44Å; S16-S19 PolarHBondContact O-N 3.24Å; S16-S19 PolarHBondContact OG-N 3.28Å; S16-S19 PolarHBondContact OG-O 3.42Å; S16-S19 PolarHBondContact OG-OG 3.02Å
17F80.2Confident89.6Confident206 Ų20664.8 Ų64.890%0.90435%0.348SS*.SBendtrans-54.8-36.4177.9-176.7-106.2000112.9
18L76.6Confident90.2Very high159 Ų15964.8 Ų64.883%0.83234%0.339SS*.SBendtrans-100.9-16.4-175.8-63.9174.4000114.1S16S16-L18 PolarHBondContact O-N 3.45Å
19S79.8Confident90.5Very high47 Ų4766 Ų6633%0.32934%0.341SS..  trans-154.1145.7-171.773.20000114.6S16S16-S19 PolarHBondContact N-O 3.44Å; S16-S19 PolarHBondContact O-N 3.24Å; S16-S19 PolarHBondContact OG-N 3.28Å; S16-S19 PolarHBondContact OG-O 3.42Å; S16-S19 PolarHBondContact OG-OG 3.02Å
20K86.7Confident90.7Very high125 Ų12566.1 Ų66.154%0.54334%0.342SS..EExtended strand (participates in β ladder)trans-112.7118.3166.3-178.9179.1178.7-170.40108.1T13 V14 K15T13-K20 HydrophobicContact CG2-CD 4.34Å; T13-K20 HydrophobicContact CG2-CG 3.82Å; V14-K20 CarbonylContact O-C 3.39Å; V14-K20 WeakPolarHBondContact O-CA 3.3Å; K15-K20 HydrophobicContact CG-CD 4.47Å; K15-K20 HydrophobicContact CG-CG 4.08Å
21I87.9Confident91Very high43 Ų4363.7 Ų63.722%0.22133%0.326CS..EExtended strand (participates in β ladder)trans-111.9104.3-178.1-52.6179.2000108.3T13 V14 V24 I62T13-I21 CarbonylContact C-O 3.6Å; T13-I21 WeakPolarHBondContact CA-O 3.45Å; V14-I21 PolarHBondContact N-O 3.44Å; V14-I21 PolarHBondContact O-N 3.04Å; I21-V24 HydrophobicContact CG2-CG1 3.59Å; I21-V24 HydrophobicContact CG2-CG2 4.48Å; I21-I62 HydrophobicContact CD1-CD1 4.18Å; I21-I62 HydrophobicContact CG2-CD1 3.65Å
22P91.4Very high91.2Very high14 Ų1464.9 Ų64.99%0.09133%0.33CS..EExtended strand (participates in β ladder)trans-79.1157.2179.936.7-40.8000111.9V24 R77 T152 I156P22-V24 PolarHBondContact O-N 2.92Å; P22-R77 PolarHBondContact O-NH2 3.06Å; P22-T152 HydrophobicContact CB-CG2 3.99Å; P22-T152 HydrophobicContact CG-CG2 3.58Å; P22-I156 HydrophobicContact CB-CD1 4.4Å; P22-I156 HydrophobicContact CG-CD1 3.86Å; P22-I156 HydrophobicContact CG-CG1 4.05Å
23S91.1Very high91.5Very high55 Ų5560.4 Ų60.439%0.38531%0.313SS..EExtended strand (participates in β ladder)trans50.761.9164.8-49.90000113.6R12 R77R12-S23 PolarHBondContact O-N 3.32Å; S23-R77 PolarHBondContact O-NE 2.84Å; S23-R77 VanDerWaalsContact O-NE 3.16Å
24V94.8Very high91.8Very high3 Ų357 Ų572%0.01829%0.293CS..EExtended strand (participates in β ladder)trans-126.3154.3176.6-66.90000111.6R12 V14 I21 P22 I62 F75 Y76R12-V24 PolarHBondContact N-O 2.95Å; R12-V24 WeakPolarHBondContact O-CG2 3.12Å; R12-V24 PolarHBondContact O-N 3.43Å; V14-V24 HydrophobicContact CG2-CG2 3.79Å; I21-V24 HydrophobicContact CG2-CG1 3.59Å; I21-V24 HydrophobicContact CG2-CG2 4.48Å; P22-V24 PolarHBondContact O-N 2.92Å; V24-I62 HydrophobicContact CG1-CD1 4.01Å; V24-I62 HydrophobicContact CG1-CG2 4.16Å; V24-F75 HydrophobicContact CB-CB 4.13Å; V24-F75 HydrophobicContact CB-CD1 4.18Å; V24-F75 HydrophobicContact CB-CG 4.36Å; V24-F75 HydrophobicContact CG1-CB 4.22Å; V24-F75 HydrophobicContact CG2-CD1 3.87Å; V24-F75 HydrophobicContact CG2-CE1 4.37Å; V24-F75 HydrophobicContact CG2-CG 4.25Å; V24-Y76 VanDerWaalsContact CA-O 3.29Å; V24-Y76 WeakPolarHBondContact CA-O 3.32Å
25V96.6Very high92.2Very high3 Ų356.3 Ų56.32%0.01829%0.286CS..EExtended strand (participates in β ladder)trans-125.6152.9171.6-65.10000108.6V9 I11 I30 F75 Y76 F78V9-V25 HydrophobicContact CB-CG1 4.3Å; V9-V25 HydrophobicContact CG1-CB 3.78Å; V9-V25 HydrophobicContact CG1-CG1 3.7Å; V9-V25 HydrophobicContact CG1-CG2 4.47Å; I11-V25 HydrophobicContact CB-CG1 4.3Å; I11-V25 HydrophobicContact CG1-CG1 3.72Å; V25-I30 HydrophobicContact CG2-CD1 3.57Å; V25-I30 HydrophobicContact CG2-CG1 3.89Å; V25-F75 WeakPolarHBondContact O-CA 3.47Å; V25-Y76 PolarHBondContact N-O 3.42Å; V25-Y76 PolarHBondContact O-N 3.01Å; V25-F78 HydrophobicContact CG1-CE2 4.09Å; V25-F78 HydrophobicContact CG2-CE2 4.34Å
26T97.1Very high92.5Very high28 Ų2856.9 Ų56.917%0.17229%0.289CS..EExtended strand (participates in β ladder)trans-84.8155.5175.368.80000110.9T28 D29 I30 T74 F75T26-T28 VanDerWaalsContact C-N 3.33Å; T26-D29 PolarHBondContact O-N 3.37Å; T26-D29 WeakPolarHBondContact OG1-CB 3.38Å; T26-D29 PolarHBondContact OG1-N 3.31Å; T26-D29 VanDerWaalsContact OG1-N 3.08Å; T26-D29 PolarHBondContact OG1-OD2 3.26Å; T26-I30 PolarHBondContact O-N 2.84Å; T26-T74 CarbonylContact C-O 3.45Å; T26-T74 WeakPolarHBondContact CA-O 3.44Å; T26-F75 HydrophobicContact CG2-CD1 4.22Å; T26-F75 HydrophobicContact CG2-CE1 3.96Å
27G97.8Very high93.1Very high0 Ų057.1 Ų57.10%029%0.285CS..Hα-helixtrans-58.8-45.6173.600000111.8D29 I30 V31 K70 D72 T74G27-D29 PolarHBondContact O-N 3.12Å; G27-I30 PolarHBondContact O-N 2.79Å; G27-I30 VanDerWaalsContact O-N 3.11Å; G27-V31 WeakPolarHBondContact O-CG2 3.42Å; G27-V31 PolarHBondContact O-N 3.25Å; G27-K70 CarbonylContact C-O 3.48Å; G27-K70 VanDerWaalsContact CA-O 3.24Å; G27-K70 WeakPolarHBondContact CA-O 3.38Å; G27-D72 PolarHBondContact N-O 2.87Å; G27-T74 PolarHBondContact N-O 3.46Å
28T97.8Very high93.8Very high48 Ų4851.7 Ų51.729%0.29427%0.265SS..Hα-helixtrans-57.8-43.6174.8-59.30000113.1T26 I30 V31 Q32 D71 D72T26-T28 VanDerWaalsContact C-N 3.33Å; T28-I30 VanDerWaalsContact C-N 3.27Å; T28-I30 PolarHBondContact O-N 3.41Å; T28-V31 PolarHBondContact O-N 2.89Å; T28-Q32 HydrophobicContact CG2-CG 4.16Å; T28-Q32 WeakPolarHBondContact O-CB 3.26Å; T28-Q32 VanDerWaalsContact O-CG 3.28Å; T28-Q32 WeakPolarHBondContact O-CG 3.4Å; T28-Q32 PolarHBondContact O-N 3.26Å; T28-D71 WeakPolarHBondContact CA-OD1 3.43Å; T28-D71 WeakPolarHBondContact CB-OD1 3.27Å; T28-D71 PolarHBondContact OG1-OD1 3.1Å; T28-D72 PolarHBondContact N-O 3.11Å; T28-D72 VanDerWaalsContact N-O 3.11Å; T28-D72 WeakPolarHBondContact OG1-CA 3.43Å; T28-D72 PolarHBondContact OG1-N 3.18Å; T28-D72 PolarHBondContact OG1-O 2.74Å
29D97.3Very high94.8Very high43 Ų4349.1 Ų49.123%0.2326%0.26CS..Hα-helixtrans-62-36.8177.7-67-45.9000111.7V9 P10 T26 G27 W33V9-D29 HydrophobicContact CG1-CB 3.66Å; P10-D29 HydrophobicContact CG-CB 4.32Å; T26-D29 PolarHBondContact O-N 3.37Å; T26-D29 WeakPolarHBondContact OG1-CB 3.38Å; T26-D29 PolarHBondContact OG1-N 3.31Å; T26-D29 VanDerWaalsContact OG1-N 3.08Å; T26-D29 PolarHBondContact OG1-OD2 3.26Å; G27-D29 PolarHBondContact O-N 3.12Å; D29-W33 VanDerWaalsContact O-CB 3.26Å; D29-W33 WeakPolarHBondContact O-CB 3.27Å; D29-W33 PolarHBondContact O-N 3.4Å; D29-W33 VanDerWaalsContact O-N 3.1Å
30I97.9Very high95.7Very high1 Ų147.7 Ų47.71%0.00525%0.249CC..Hα-helixtrans-68.8-48.2176.4-66.3163.8000111M1 V9 V25 T26 G27 T28 Q32 W33 L34 I59 M69 Y76M1-I30 HydrophobicContact CE-CB 4.38Å; M1-I30 HydrophobicContact CE-CG1 4.24Å; M1-I30 HydrophobicContact CE-CG2 3.56Å; V9-I30 HydrophobicContact CG1-CG1 4.17Å; V25-I30 HydrophobicContact CG2-CD1 3.57Å; V25-I30 HydrophobicContact CG2-CG1 3.89Å; T26-I30 PolarHBondContact O-N 2.84Å; G27-I30 PolarHBondContact O-N 2.79Å; G27-I30 VanDerWaalsContact O-N 3.11Å; T28-I30 VanDerWaalsContact C-N 3.27Å; T28-I30 PolarHBondContact O-N 3.41Å; I30-Q32 PolarHBondContact O-N 3.44Å; I30-W33 WeakPolarHBondContact O-CB 3.41Å; I30-W33 PolarHBondContact O-N 3.35Å; I30-L34 HydrophobicContact CG2-CD1 4.01Å; I30-L34 HydrophobicContact CG2-CG 4.38Å; I30-L34 WeakPolarHBondContact O-CG 3.34Å; I30-L34 PolarHBondContact O-N 3.35Å; I30-I59 HydrophobicContact CD1-CD1 4.43Å; I30-I59 HydrophobicContact CD1-CG2 4.04Å; I30-M69 HydrophobicContact CB-SD 3.99Å; I30-M69 HydrophobicContact CG2-CE 4.32Å; I30-M69 HydrophobicContact CG2-SD 3.41Å; I30-M69 WeakPolarHBondContact CG2-SD 3.34Å; I30-Y76 HydrophobicContact CD1-CD2 4.25Å; I30-Y76 HydrophobicContact CD1-CG 4.06Å
31V98.2Very high96.2Very high0 Ų050.6 Ų50.60%026%0.264CS..Hα-helixtrans-59.1-49-179.1171.60000110.3G27 T28 W33 L34 M35 A46 I47 M69 D71G27-V31 WeakPolarHBondContact O-CG2 3.42Å; G27-V31 PolarHBondContact O-N 3.25Å; T28-V31 PolarHBondContact O-N 2.89Å; V31-W33 VanDerWaalsContact C-N 3.29Å; V31-W33 PolarHBondContact O-N 2.98Å; V31-L34 PolarHBondContact O-N 2.92Å; V31-L34 VanDerWaalsContact O-N 3.13Å; V31-M35 HydrophobicContact CG1-SD 4.21Å; V31-M35 WeakPolarHBondContact O-CG 3.37Å; V31-M35 PolarHBondContact O-N 2.86Å; V31-A46 HydrophobicContact CG1-CB 4.22Å; V31-I47 HydrophobicContact CG1-CG1 4.12Å; V31-I47 HydrophobicContact CG2-CG1 3.87Å; V31-M69 HydrophobicContact CG2-CE 3.54Å; V31-M69 HydrophobicContact CG2-SD 4.26Å; V31-D71 HydrophobicContact CG2-CB 4.05Å
32Q97.5Very high96.7Very high97 Ų9752.4 Ų52.445%0.45327%0.274SS..Hα-helixtrans-63-36.5178-67.3-58.1-37.300112.2T28 I30 K36T28-Q32 HydrophobicContact CG2-CG 4.16Å; T28-Q32 WeakPolarHBondContact O-CB 3.26Å; T28-Q32 VanDerWaalsContact O-CG 3.28Å; T28-Q32 WeakPolarHBondContact O-CG 3.4Å; T28-Q32 PolarHBondContact O-N 3.26Å; I30-Q32 PolarHBondContact O-N 3.44Å; Q32-K36 VanDerWaalsContact O-CB 3.31Å; Q32-K36 WeakPolarHBondContact O-CB 3.44Å; Q32-K36 PolarHBondContact O-N 3.38Å
33W97.4Very high96.9Very high49 Ų4954.4 Ų54.419%0.18629%0.287CS..Hα-helixtrans-64.1-43174.1-173.494.7000111.9M1 G7 V9 D29 I30 V31 N37M1-W33 HydrophobicContact CB-CH2 4.4Å; M1-W33 HydrophobicContact CB-CZ2 4.47Å; M1-W33 HydrophobicContact CE-CE3 4.16Å; M1-W33 HydrophobicContact CG-CD2 4.02Å; M1-W33 HydrophobicContact CG-CE3 3.54Å; M1-W33 HydrophobicContact CG-CH2 3.45Å; M1-W33 VanDerWaalsContact CG-CH2 3.45Å; M1-W33 HydrophobicContact CG-CZ2 3.91Å; M1-W33 HydrophobicContact CG-CZ3 3.24Å; M1-W33 HydrophobicContact SD-CE3 4.26Å; M1-W33 HydrophobicContact SD-CZ3 4.09Å; G7-W33 VanDerWaalsContact O-CD1 3.25Å; G7-W33 PolarHBondContact O-NE1 3.2Å; V9-W33 HydrophobicContact CG2-CB 3.66Å; V9-W33 HydrophobicContact CG2-CD2 4.13Å; V9-W33 HydrophobicContact CG2-CG 3.56Å; D29-W33 VanDerWaalsContact O-CB 3.26Å; D29-W33 WeakPolarHBondContact O-CB 3.27Å; D29-W33 PolarHBondContact O-N 3.4Å; D29-W33 VanDerWaalsContact O-N 3.1Å; I30-W33 WeakPolarHBondContact O-CB 3.41Å; I30-W33 PolarHBondContact O-N 3.35Å; V31-W33 VanDerWaalsContact C-N 3.29Å; V31-W33 PolarHBondContact O-N 2.98Å; W33-N37 HydrophobicContact CD2-CB 4.41Å; W33-N37 VanDerWaalsContact CE2-ND2 3.31Å; W33-N37 HydrophobicContact CE3-CB 4.45Å; W33-N37 HydrophobicContact CH2-CB 4.14Å; W33-N37 HydrophobicContact CZ2-CB 4.11Å; W33-N37 HydrophobicContact CZ3-CB 4.32Å; W33-N37 PolarHBondContact NE1-ND2 3.13Å; W33-N37 WeakPolarHBondContact O-CB 3.5Å; W33-N37 PolarHBondContact O-N 2.95Å; W33-N37 PolarHBondContact O-ND2 3.11Å
34L97.9Very high97.3Very high3 Ų356.5 Ų56.52%0.01630%0.297CS..Hα-helixtrans-63.2-49.5177.1-71.1169000111.2I30 V31 K36 N37 L38 A46 L49 I53 M69I30-L34 HydrophobicContact CG2-CD1 4.01Å; I30-L34 HydrophobicContact CG2-CG 4.38Å; I30-L34 WeakPolarHBondContact O-CG 3.34Å; I30-L34 PolarHBondContact O-N 3.35Å; V31-L34 PolarHBondContact O-N 2.92Å; V31-L34 VanDerWaalsContact O-N 3.13Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 3.06Å; L34-N37 PolarHBondContact O-N 3.43Å; L34-L38 HydrophobicContact CD2-CD1 3.84Å; L34-L38 VanDerWaalsContact O-CB 3.28Å; L34-L38 WeakPolarHBondContact O-CB 3.29Å; L34-L38 PolarHBondContact O-N 3.41Å; L34-A46 HydrophobicContact CB-CB 4.32Å; L34-L49 HydrophobicContact CD2-CD2 4.33Å; L34-I53 HydrophobicContact CD2-CD1 4.35Å; L34-M69 HydrophobicContact CD1-CE 3.98Å
35M97.9Very high97.4Very high31 Ų3161.8 Ų61.815%0.15332%0.322CS..Hα-helixtrans-55.4-49.3177.8-69.2-178.175.800112V31 S39 I40 E41 P43 A46V31-M35 HydrophobicContact CG1-SD 4.21Å; V31-M35 WeakPolarHBondContact O-CG 3.37Å; V31-M35 PolarHBondContact O-N 2.86Å; M35-S39 CarbonylContact O-C 3.5Å; M35-S39 VanDerWaalsContact O-CA 3.27Å; M35-S39 WeakPolarHBondContact O-CA 3.42Å; M35-S39 PolarHBondContact O-N 3.04Å; M35-I40 WeakPolarHBondContact CE-O 3.32Å; M35-I40 PolarHBondContact O-N 3.46Å; M35-E41 WeakPolarHBondContact CE-O 3.44Å; M35-P43 HydrophobicContact CE-CB 4.33Å; M35-P43 HydrophobicContact CE-CG 3.8Å; M35-P43 HydrophobicContact SD-CB 4.13Å; M35-P43 HydrophobicContact SD-CG 4.17Å; M35-A46 HydrophobicContact CG-CB 3.47Å; M35-A46 VanDerWaalsContact CG-CB 3.47Å; M35-A46 HydrophobicContact SD-CB 4.45Å
36K96.4Very high97.5Very high173 Ų17361.6 Ų61.675%0.75232%0.321SS*.Hα-helixtrans-67.3-45.7-178.4-177.8-179.5176-177.40113.3Q32 L34Q32-K36 VanDerWaalsContact O-CB 3.31Å; Q32-K36 WeakPolarHBondContact O-CB 3.44Å; Q32-K36 PolarHBondContact O-N 3.38Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 3.06Å
37N96.1Very high97.6Very high71 Ų7162.5 Ų62.538%0.3832%0.324SS..Hα-helixtrans-86.9-20.7-170.5-71-89.5000113.5W33 L34W33-N37 HydrophobicContact CD2-CB 4.41Å; W33-N37 VanDerWaalsContact CE2-ND2 3.31Å; W33-N37 HydrophobicContact CE3-CB 4.45Å; W33-N37 HydrophobicContact CH2-CB 4.14Å; W33-N37 HydrophobicContact CZ2-CB 4.11Å; W33-N37 HydrophobicContact CZ3-CB 4.32Å; W33-N37 PolarHBondContact NE1-ND2 3.13Å; W33-N37 WeakPolarHBondContact O-CB 3.5Å; W33-N37 PolarHBondContact O-N 2.95Å; W33-N37 PolarHBondContact O-ND2 3.11Å; L34-N37 PolarHBondContact O-N 3.43Å
38L96.6Very high97.6Very high93 Ų9368 Ų6849%0.48735%0.349SS..Hα-helixtrans-107.53.5176.6-56179.4000112.7L34 I40 L49L34-L38 HydrophobicContact CD2-CD1 3.84Å; L34-L38 VanDerWaalsContact O-CB 3.28Å; L34-L38 WeakPolarHBondContact O-CB 3.29Å; L34-L38 PolarHBondContact O-N 3.41Å; L38-I40 VanDerWaalsContact C-N 3.29Å; L38-I40 HydrophobicContact CB-CD1 3.95Å; L38-I40 HydrophobicContact CB-CG1 3.94Å; L38-I40 HydrophobicContact CD1-CD1 4.15Å; L38-I40 PolarHBondContact O-N 3.49Å; L38-L49 HydrophobicContact CD1-CD2 3.49Å; L38-L49 VanDerWaalsContact CD1-CD2 3.49Å
39S97.4Very high97.7Very high104 Ų10468.4 Ų68.473%0.72735%0.35SS*.THydrogen-bonded Turntrans54.143.1-177.5-55.60000112.9M35M35-S39 CarbonylContact O-C 3.5Å; M35-S39 VanDerWaalsContact O-CA 3.27Å; M35-S39 WeakPolarHBondContact O-CA 3.42Å; M35-S39 PolarHBondContact O-N 3.04Å
40I98.1Very high97.7Very high18 Ų1866.5 Ų66.59%0.09234%0.34CS..  trans-86.4119.6177.2-58.8167000108.4M35 L38 D42 E45 A46 L49M35-I40 WeakPolarHBondContact CE-O 3.32Å; M35-I40 PolarHBondContact O-N 3.46Å; L38-I40 VanDerWaalsContact C-N 3.29Å; L38-I40 HydrophobicContact CB-CD1 3.95Å; L38-I40 HydrophobicContact CB-CG1 3.94Å; L38-I40 HydrophobicContact CD1-CD1 4.15Å; L38-I40 PolarHBondContact O-N 3.49Å; I40-D42 VanDerWaalsContact CG2-O 3.27Å; I40-D42 WeakPolarHBondContact CG2-O 3.26Å; I40-E45 HydrophobicContact CG2-CB 3.74Å; I40-E45 HydrophobicContact CG2-CG 3.88Å; I40-A46 HydrophobicContact CB-CB 4.48Å; I40-A46 HydrophobicContact CD1-CB 4.22Å; I40-A46 HydrophobicContact CG2-CB 4.1Å; I40-L49 HydrophobicContact CD1-CD2 3.99Å
41E97.4Very high97.7Very high185 Ų18567.6 Ų67.686%0.86435%0.348SS*.  trans-81.8-40-178.7-63.9-175.2175.600112.4M35 P43M35-E41 WeakPolarHBondContact CE-O 3.44Å; E41-P43 WeakPolarHBondContact O-CD 3.37Å
42D97.6Very high97.7Very high81 Ų8171.8 Ų71.843%0.43337%0.37SS..  trans-85.9116.8179.5-176.91.3000111.2I40 V44 E45 A46I40-D42 VanDerWaalsContact CG2-O 3.27Å; I40-D42 WeakPolarHBondContact CG2-O 3.26Å; D42-V44 PolarHBondContact O-N 3.34Å; D42-V44 VanDerWaalsContact O-N 3.16Å; D42-V44 WeakPolarHBondContact OD1-CB 3.35Å; D42-V44 PolarHBondContact OD1-N 3.32Å; D42-E45 HydrophobicContact CB-CB 4.29Å; D42-E45 WeakPolarHBondContact O-CB 3.35Å; D42-E45 PolarHBondContact O-N 3.31Å; D42-E45 VanDerWaalsContact O-N 3.12Å; D42-A46 PolarHBondContact O-N 2.94Å
43P97.1Very high97.8Very high56 Ų5669.1 Ų69.136%0.36436%0.358SS..Hα-helixtrans-55.5-31.9174.8-2332.5000113.5M35 E41 E45 A46 I47M35-P43 HydrophobicContact CE-CB 4.33Å; M35-P43 HydrophobicContact CE-CG 3.8Å; M35-P43 HydrophobicContact SD-CB 4.13Å; M35-P43 HydrophobicContact SD-CG 4.17Å; E41-P43 WeakPolarHBondContact O-CD 3.37Å; P43-E45 VanDerWaalsContact C-N 3.32Å; P43-E45 PolarHBondContact O-N 3.33Å; P43-A46 PolarHBondContact O-N 2.85Å; P43-I47 WeakPolarHBondContact O-CD1 3.31Å; P43-I47 WeakPolarHBondContact O-CG1 3.48Å; P43-I47 PolarHBondContact O-N 3.07Å
44V98.1Very high97.8Very high99 Ų9966.8 Ų66.860%0.635%0.35SS*.Hα-helixtrans-64.8-38.9-180-1790000110.9D42 I47 H48D42-V44 PolarHBondContact O-N 3.34Å; D42-V44 VanDerWaalsContact O-N 3.16Å; D42-V44 WeakPolarHBondContact OD1-CB 3.35Å; D42-V44 PolarHBondContact OD1-N 3.32Å; V44-I47 PolarHBondContact O-N 3.17Å; V44-H48 VanDerWaalsContact O-CB 3.32Å; V44-H48 WeakPolarHBondContact O-CB 3.27Å; V44-H48 PolarHBondContact O-N 3.47Å
45E98.4Very high97.8Very high114 Ų11467.8 Ų67.853%0.53336%0.358SS..Hα-helixtrans-64.4-43.5174.6-179.5178.6-170.600111.3I40 D42 P43 H48 L49I40-E45 HydrophobicContact CG2-CB 3.74Å; I40-E45 HydrophobicContact CG2-CG 3.88Å; D42-E45 HydrophobicContact CB-CB 4.29Å; D42-E45 WeakPolarHBondContact O-CB 3.35Å; D42-E45 PolarHBondContact O-N 3.31Å; D42-E45 VanDerWaalsContact O-N 3.12Å; P43-E45 VanDerWaalsContact C-N 3.32Å; P43-E45 PolarHBondContact O-N 3.33Å; E45-H48 PolarHBondContact O-N 3.48Å; E45-L49 WeakPolarHBondContact O-CB 3.47Å; E45-L49 PolarHBondContact O-N 3.06Å
46A98.3Very high97.7Very high0 Ų069.8 Ų69.80%037%0.367CS..Hα-helixtrans-65-41.117800000112.4V31 L34 M35 I40 D42 P43 L49 G50 M69V31-A46 HydrophobicContact CG1-CB 4.22Å; L34-A46 HydrophobicContact CB-CB 4.32Å; M35-A46 HydrophobicContact CG-CB 3.47Å; M35-A46 VanDerWaalsContact CG-CB 3.47Å; M35-A46 HydrophobicContact SD-CB 4.45Å; I40-A46 HydrophobicContact CB-CB 4.48Å; I40-A46 HydrophobicContact CD1-CB 4.22Å; I40-A46 HydrophobicContact CG2-CB 4.1Å; D42-A46 PolarHBondContact O-N 2.94Å; P43-A46 PolarHBondContact O-N 2.85Å; A46-L49 PolarHBondContact O-N 3.15Å; A46-G50 PolarHBondContact O-N 3.09Å; A46-M69 WeakPolarHBondContact O-CE 3.5Å
47I98.4Very high97.7Very high46 Ų4661.7 Ų61.724%0.23633%0.333CS..Hα-helixtrans-63-43.4174.3-67.3163000110.5V31 P43 V44 S51 D71V31-I47 HydrophobicContact CG1-CG1 4.12Å; V31-I47 HydrophobicContact CG2-CG1 3.87Å; P43-I47 WeakPolarHBondContact O-CD1 3.31Å; P43-I47 WeakPolarHBondContact O-CG1 3.48Å; P43-I47 PolarHBondContact O-N 3.07Å; V44-I47 PolarHBondContact O-N 3.17Å; I47-S51 VanDerWaalsContact O-CB 3.29Å; I47-S51 WeakPolarHBondContact O-CB 3.49Å; I47-S51 PolarHBondContact O-N 2.64Å; I47-S51 PolarHBondContact O-OG 2.87Å; I47-D71 HydrophobicContact CD1-CB 3.7Å; I47-D71 HydrophobicContact CG1-CB 4Å
48H98.5Very high97.8Very high115 Ų11562 Ų6253%0.53233%0.329SS..Hα-helixtrans-61.2-50.1176.9-177.969.4000111.2V44 E45 G50 S51 L52V44-H48 VanDerWaalsContact O-CB 3.32Å; V44-H48 WeakPolarHBondContact O-CB 3.27Å; V44-H48 PolarHBondContact O-N 3.47Å; E45-H48 PolarHBondContact O-N 3.48Å; H48-G50 PolarHBondContact O-N 3.25Å; H48-S51 WeakPolarHBondContact O-CB 3.27Å; H48-S51 PolarHBondContact O-N 2.86Å; H48-L52 WeakPolarHBondContact O-CG 3.45Å; H48-L52 PolarHBondContact O-N 3.01Å
49L98.6Very high97.9Very high58 Ų5857.9 Ų57.930%0.30431%0.308SS..Hα-helixtrans-58.7-48.8178.7176.959.7000111.9L34 L38 I40 E45 A46 S51 L52 I53L34-L49 HydrophobicContact CD2-CD2 4.33Å; L38-L49 HydrophobicContact CD1-CD2 3.49Å; L38-L49 VanDerWaalsContact CD1-CD2 3.49Å; I40-L49 HydrophobicContact CD1-CD2 3.99Å; E45-L49 WeakPolarHBondContact O-CB 3.47Å; E45-L49 PolarHBondContact O-N 3.06Å; A46-L49 PolarHBondContact O-N 3.15Å; L49-S51 VanDerWaalsContact C-N 3.3Å; L49-S51 PolarHBondContact O-N 3.11Å; L49-L52 WeakPolarHBondContact O-CB 3.49Å; L49-L52 PolarHBondContact O-N 3.16Å; L49-L52 VanDerWaalsContact O-N 3.14Å; L49-I53 HydrophobicContact CG-CD1 4.28Å; L49-I53 WeakPolarHBondContact O-CG1 3.47Å; L49-I53 PolarHBondContact O-N 2.99Å
50G98.3Very high97.9Very high3 Ų353 Ų533%0.03127%0.273CS..Hα-helixtrans-71.2-25.517900000113.3A46 H48 I53 A54A46-G50 PolarHBondContact O-N 3.09Å; H48-G50 PolarHBondContact O-N 3.25Å; G50-I53 PolarHBondContact O-N 3.35Å; G50-A54 WeakPolarHBondContact O-CB 3.32Å; G50-A54 PolarHBondContact O-N 3.43Å
51S98.3Very high97.9Very high23 Ų2352.2 Ų52.216%0.16127%0.27CS..Hα-helixtrans-64.8-38.8167.6-64.90000111.9I47 H48 L49 A54 A55 M69I47-S51 VanDerWaalsContact O-CB 3.29Å; I47-S51 WeakPolarHBondContact O-CB 3.49Å; I47-S51 PolarHBondContact O-N 2.64Å; I47-S51 PolarHBondContact O-OG 2.87Å; H48-S51 WeakPolarHBondContact O-CB 3.27Å; H48-S51 PolarHBondContact O-N 2.86Å; L49-S51 VanDerWaalsContact C-N 3.3Å; L49-S51 PolarHBondContact O-N 3.11Å; S51-A54 PolarHBondContact O-N 3.4Å; S51-A55 WeakPolarHBondContact O-CB 3.44Å; S51-A55 PolarHBondContact O-N 3.44Å; S51-M69 WeakPolarHBondContact OG-CB 3.38Å; S51-M69 PolarHBondContact OG-N 2.71Å; S51-M69 PolarHBondContact OG-O 2.73Å
52L98.3Very high97.8Very high88 Ų8845.1 Ų45.146%0.46124%0.237SC..Hα-helixtrans-65.2-41.5172.6-67.6176.2000111.9H48 L49 A54 A55 Q56H48-L52 WeakPolarHBondContact O-CG 3.45Å; H48-L52 PolarHBondContact O-N 3.01Å; L49-L52 WeakPolarHBondContact O-CB 3.49Å; L49-L52 PolarHBondContact O-N 3.16Å; L49-L52 VanDerWaalsContact O-N 3.14Å; L52-A54 VanDerWaalsContact C-N 3.26Å; L52-A54 PolarHBondContact O-N 3.27Å; L52-A55 PolarHBondContact O-N 2.9Å; L52-Q56 VanDerWaalsContact O-CG 3.27Å; L52-Q56 WeakPolarHBondContact O-CG 3.44Å; L52-Q56 PolarHBondContact O-N 3.22Å
53I98Very high97.5Very high41 Ų4146.1 Ų46.121%0.2125%0.251CS..Hα-helixtrans-59.9-40.1174.1-66.2170.1000110.5L34 L49 G50 G57 Y58 I59L34-I53 HydrophobicContact CD2-CD1 4.35Å; L49-I53 HydrophobicContact CG-CD1 4.28Å; L49-I53 WeakPolarHBondContact O-CG1 3.47Å; L49-I53 PolarHBondContact O-N 2.99Å; G50-I53 PolarHBondContact O-N 3.35Å; I53-G57 PolarHBondContact O-N 3.45Å; I53-Y58 HydrophobicContact CG2-CD2 4.47Å; I53-Y58 PolarHBondContact O-N 3.27Å; I53-I59 HydrophobicContact CG2-CD1 4.03Å; I53-I59 HydrophobicContact CG2-CG1 4.12Å
54A98Very high97.3Very high1 Ų146.2 Ų46.21%0.00825%0.248CC..Hα-helixtrans-68.4-45.6177.300000112.5G50 S51 L52 Q56 G57 I59G50-A54 WeakPolarHBondContact O-CB 3.32Å; G50-A54 PolarHBondContact O-N 3.43Å; S51-A54 PolarHBondContact O-N 3.4Å; L52-A54 VanDerWaalsContact C-N 3.26Å; L52-A54 PolarHBondContact O-N 3.27Å; A54-Q56 PolarHBondContact O-N 3.27Å; A54-G57 WeakPolarHBondContact O-CA 3.45Å; A54-G57 PolarHBondContact O-N 3.41Å; A54-I59 WeakPolarHBondContact CA-O 3.44Å; A54-I59 WeakPolarHBondContact CB-O 3.31Å
55A97.6Very high97.3Very high24 Ų2443.3 Ų43.320%0.19823%0.228CC..Hα-helixtrans-62.8-24177.700000113.4S51 L52 G57 L67 T177S51-A55 WeakPolarHBondContact O-CB 3.44Å; S51-A55 PolarHBondContact O-N 3.44Å; L52-A55 PolarHBondContact O-N 2.9Å; A55-G57 VanDerWaalsContact C-N 3.31Å; A55-L67 PolarHBondContact N-O 3.29Å; A55-T177 HydrophobicContact CB-CG2 3.9Å; A55-T177 WeakPolarHBondContact O-CG2 3.35Å; A55-T177 PolarHBondContact O-OG1 3.29Å
56Q96.6Very high97.2Very high73 Ų7340 Ų4034%0.34122%0.215SC..THydrogen-bonded Turntrans-85.3-2.1171.5-65.9-67.5-17.200113.1L52 A54 Y58 P85L52-Q56 VanDerWaalsContact O-CG 3.27Å; L52-Q56 WeakPolarHBondContact O-CG 3.44Å; L52-Q56 PolarHBondContact O-N 3.22Å; A54-Q56 PolarHBondContact O-N 3.27Å; Q56-Y58 HydrophobicContact CB-CD2 3.82Å; Q56-Y58 HydrophobicContact CB-CE2 3.83Å; Q56-P85 WeakPolarHBondContact O-CD 3.25Å; Q56-P85 WeakPolarHBondContact O-CG 3.48Å
57G96.8Very high97.2Very high3 Ų340.8 Ų40.83%0.03122%0.22CC..THydrogen-bonded Turntrans8215.417300000115.8I53 A54 A55 Q79I53-G57 PolarHBondContact O-N 3.45Å; A54-G57 WeakPolarHBondContact O-CA 3.45Å; A54-G57 PolarHBondContact O-N 3.41Å; A55-G57 VanDerWaalsContact C-N 3.31Å; G57-Q79 WeakPolarHBondContact O-CB 3.47Å; G57-Q79 WeakPolarHBondContact O-CG 3.45Å
58Y97.9Very high97.2Very high77 Ų7741.3 Ų41.330%0.30223%0.225SC..SBendtrans-78.7-29.7175.8-68.1-77.6000112.7I53 Q56 Q79 W84 P85I53-Y58 HydrophobicContact CG2-CD2 4.47Å; I53-Y58 PolarHBondContact O-N 3.27Å; Q56-Y58 HydrophobicContact CB-CD2 3.82Å; Q56-Y58 HydrophobicContact CB-CE2 3.83Å; Y58-Q79 WeakPolarHBondContact O-CB 3.47Å; Y58-Q79 PolarHBondContact O-N 3.08Å; Y58-W84 AromaticContact CD1-CD1 3.85Å; Y58-W84 HydrophobicContact CD1-CD2 4.01Å; Y58-W84 AromaticContact CD1-CE2 3.94Å; Y58-W84 AromaticContact CD1-CG 3.96Å; Y58-W84 HydrophobicContact CD1-CG 3.96Å; Y58-W84 AromaticContact CD1-NE1 3.84Å; Y58-W84 HydrophobicContact CE1-CB 4.12Å; Y58-W84 AromaticContact CE1-CD2 3.79Å; Y58-W84 HydrophobicContact CE1-CD2 3.79Å; Y58-W84 HydrophobicContact CE1-CE3 4.22Å; Y58-W84 AromaticContact CE1-CG 3.76Å; Y58-W84 HydrophobicContact CE1-CG 3.76Å; Y58-P85 HydrophobicContact CE1-CG 4.45Å; Y58-P85 HydrophobicContact CE2-CG 3.88Å
59I97.6Very high97.1Very high7 Ų736.4 Ų36.44%0.03620%0.202CC..EExtended strand (participates in β ladder)trans-137.5144.5177.9-56177.2000106.8M1 I30 I53 A54 Y76 R77 F78M1-I59 HydrophobicContact CE-CD1 3.7Å; M1-I59 HydrophobicContact SD-CD1 3.99Å; I30-I59 HydrophobicContact CD1-CD1 4.43Å; I30-I59 HydrophobicContact CD1-CG2 4.04Å; I53-I59 HydrophobicContact CG2-CD1 4.03Å; I53-I59 HydrophobicContact CG2-CG1 4.12Å; A54-I59 WeakPolarHBondContact CA-O 3.44Å; A54-I59 WeakPolarHBondContact CB-O 3.31Å; I59-Y76 HydrophobicContact CG2-CD1 4.02Å; I59-Y76 HydrophobicContact CG2-CG 4.23Å; I59-R77 CarbonylContact C-O 3.6Å; I59-R77 WeakPolarHBondContact CA-O 3.11Å; I59-F78 HydrophobicContact CD1-CD1 3.99Å; I59-F78 HydrophobicContact CD1-CE1 3.55Å; I59-F78 HydrophobicContact CD1-CZ 4.38Å; I59-F78 HydrophobicContact CG1-CD1 3.66Å; I59-F78 HydrophobicContact CG1-CE1 3.79Å
60F98.3Very high97.1Very high0 Ų037.8 Ų37.80%021%0.206CC..EExtended strand (participates in β ladder)trans-144.7145.4-179.557.4-90.6000112.1L67 Y76 R77 Q79 S159 Q160 A163F60-L67 HydrophobicContact CB-CD2 3.76Å; F60-Y76 CarbonylContact O-C 3.49Å; F60-Y76 VanDerWaalsContact O-CA 3.27Å; F60-Y76 WeakPolarHBondContact O-CA 3.27Å; F60-R77 WeakPolarHBondContact CD1-O 3.43Å; F60-R77 HydrophobicContact CE1-CB 4.28Å; F60-R77 HydrophobicContact CE1-CG 4.42Å; F60-R77 HydrophobicContact CE2-CB 3.98Å; F60-R77 HydrophobicContact CZ-CB 3.84Å; F60-R77 HydrophobicContact CZ-CG 3.99Å; F60-R77 PolarHBondContact N-O 3.04Å; F60-R77 PolarHBondContact O-N 2.91Å; F60-Q79 HydrophobicContact CD1-CB 4.31Å; F60-Q79 HydrophobicContact CE1-CB 4.22Å; F60-S159 WeakPolarHBondContact CE2-O 3.47Å; F60-Q160 HydrophobicContact CE1-CG 4.11Å; F60-Q160 HydrophobicContact CZ-CB 4.44Å; F60-Q160 HydrophobicContact CZ-CG 3.82Å; F60-A163 HydrophobicContact CB-CB 3.62Å; F60-A163 HydrophobicContact CD1-CB 3.34Å; F60-A163 HydrophobicContact CD2-CB 3.58Å; F60-A163 HydrophobicContact CE1-CB 3.78Å; F60-A163 HydrophobicContact CE2-CB 4Å; F60-A163 HydrophobicContact CG-CB 3.22Å; F60-A163 HydrophobicContact CZ-CB 4.09Å
61P97.7Very high97Very high3 Ų340.8 Ų40.82%0.01922%0.221CC..EExtended strand (participates in β ladder)trans-67.8135.9172.527.7-31.5000109.4S63 D64 V66 T74 Y76 R162P61-S63 VanDerWaalsContact C-N 3.31Å; P61-S63 PolarHBondContact O-N 2.9Å; P61-D64 HydrophobicContact CB-CB 4.25Å; P61-D64 HydrophobicContact CG-CB 4.07Å; P61-V66 WeakPolarHBondContact CG-O 3.42Å; P61-T74 HydrophobicContact CB-CG2 4.43Å; P61-Y76 HydrophobicContact CB-CD1 4.11Å; P61-Y76 HydrophobicContact CB-CE1 3.73Å; P61-Y76 HydrophobicContact CG-CE1 4.19Å; P61-R162 PolarHBondContact O-NH2 2.92Å
62I94.9Very high96.9Very high36 Ų3642.8 Ų42.819%0.18523%0.23CC..SBendtrans-75.4-22.2-174.766.2175.4000113.3I21 V24 F75 R77 R162I21-I62 HydrophobicContact CD1-CD1 4.18Å; I21-I62 HydrophobicContact CG2-CD1 3.65Å; V24-I62 HydrophobicContact CG1-CD1 4.01Å; V24-I62 HydrophobicContact CG1-CG2 4.16Å; I62-F75 HydrophobicContact CD1-CB 3.53Å; I62-F75 HydrophobicContact CD1-CD2 4.33Å; I62-F75 HydrophobicContact CD1-CG 4.32Å; I62-F75 HydrophobicContact CG1-CB 3.87Å; I62-F75 PolarHBondContact N-O 3.31Å; I62-R77 HydrophobicContact CG2-CB 3.99Å; I62-R162 VanDerWaalsContact C-NH2 3.29Å; I62-R162 PolarHBondContact O-NH2 3.26Å
63S91.2Very high96.8Very high102 Ų10241.1 Ų41.171%0.71323%0.234SC*.SBendtrans-111.61-170.453.40000114.6P61P61-S63 VanDerWaalsContact C-N 3.31Å; P61-S63 PolarHBondContact O-N 2.9Å
64D94.4Very high96.8Very high57 Ų5740.6 Ų40.631%0.30523%0.233SC..  trans-136.4147.2-175.7-159-23.1000110.1P61 V66 R162P61-D64 HydrophobicContact CB-CB 4.25Å; P61-D64 HydrophobicContact CG-CB 4.07Å; D64-V66 PolarHBondContact OD1-N 3.05Å; D64-R162 PolarHBondContact O-NH1 3.19Å; D64-R162 PolarHBondContact O-NH2 3.28Å
65H96.7Very high96.8Very high39 Ų3943.4 Ų43.418%0.18125%0.245CC..SBendtrans-84.8-19.9173-77.1-87.1000112.1L67 Y116 E117 D166 V171H65-L67 PolarHBondContact O-N 3.38Å; H65-Y116 PolarHBondContact ND1-OH 2.81Å; H65-E117 IonicContact CE1-OE1 3.2Å; H65-E117 IonicContact CE1-OE2 2.7Å; H65-E117 IonicContact NE2-OE2 3.02Å; H65-D166 IonicContact CE1-OD1 2.64Å; H65-D166 IonicContact CG-OD1 2.84Å; H65-D166 IonicContact ND1-OD1 2.67Å; H65-D166 PolarHBondContact ND1-OD1 3.29Å; H65-D166 IonicContact ND1-OD2 2.91Å; H65-V171 HydrophobicContact CB-CG2 3.57Å
66V97.7Very high96.8Very high44 Ų4442.3 Ų42.327%0.26724%0.236SC..SBendtrans-79.9110.9177-179.70000109.8P61 D64 T68 V171P61-V66 WeakPolarHBondContact CG-O 3.42Å; D64-V66 PolarHBondContact OD1-N 3.05Å; V66-T68 VanDerWaalsContact C-N 3.32Å; V66-T68 HydrophobicContact CG1-CG2 3.8Å; V66-T68 PolarHBondContact O-N 3.43Å; V66-V171 HydrophobicContact CG2-CB 4.44Å; V66-V171 HydrophobicContact CG2-CG2 4.19Å
67L97.9Very high96.8Very high17 Ų1739.7 Ų39.79%0.08922%0.223CC..  trans-77.676.1-176.7-59.4-177.6000112.2A55 F60 H65 D166 V167A55-L67 PolarHBondContact N-O 3.29Å; F60-L67 HydrophobicContact CB-CD2 3.76Å; H65-L67 PolarHBondContact O-N 3.38Å; L67-D166 HydrophobicContact CD1-CB 3.86Å; L67-D166 HydrophobicContact CD2-CB 4Å; L67-D166 HydrophobicContact CG-CB 3.89Å; L67-V167 HydrophobicContact CD1-CB 4.44Å; L67-V167 HydrophobicContact CD1-CG2 3.46Å; L67-V167 VanDerWaalsContact CD1-CG2 3.46Å
68T97.4Very high96.9Very high56 Ų5640.7 Ų40.734%0.34423%0.226SC..  trans-132.3155.6178.655.20000111.3V66 Y76V66-T68 VanDerWaalsContact C-N 3.32Å; V66-T68 HydrophobicContact CG1-CG2 3.8Å; V66-T68 PolarHBondContact O-N 3.43Å; T68-Y76 VanDerWaalsContact O-CE1 3.26Å; T68-Y76 WeakPolarHBondContact O-CE1 3.34Å; T68-Y76 PolarHBondContact O-OH 2.97Å
69M97.5Very high96.9Very high12 Ų1237.3 Ų37.36%0.05921%0.213CC..  trans-100.5136.5177.8-162.6165.767.400111.3I30 V31 L34 A46 S51 Y76I30-M69 HydrophobicContact CB-SD 3.99Å; I30-M69 HydrophobicContact CG2-CE 4.32Å; I30-M69 HydrophobicContact CG2-SD 3.41Å; I30-M69 WeakPolarHBondContact CG2-SD 3.34Å; V31-M69 HydrophobicContact CG2-CE 3.54Å; V31-M69 HydrophobicContact CG2-SD 4.26Å; L34-M69 HydrophobicContact CD1-CE 3.98Å; A46-M69 WeakPolarHBondContact O-CE 3.5Å; S51-M69 WeakPolarHBondContact OG-CB 3.38Å; S51-M69 PolarHBondContact OG-N 2.71Å; S51-M69 PolarHBondContact OG-O 2.73Å; M69-Y76 VanDerWaalsContact CA-OH 3.28Å; M69-Y76 WeakPolarHBondContact CA-OH 3.49Å
70K97.3Very high96.8Very high88 Ų8838 Ų3838%0.38322%0.22SC..  trans-117.7136.4174.7-61.2179.3-176.21740108.7G27 D72 Y76G27-K70 CarbonylContact C-O 3.48Å; G27-K70 VanDerWaalsContact CA-O 3.24Å; G27-K70 WeakPolarHBondContact CA-O 3.38Å; K70-D72 WeakPolarHBondContact CB-OD1 3.35Å; K70-D72 PolarHBondContact O-N 3.19Å; K70-Y76 PolarHBondContact N-OH 3.12Å
71D97.2Very high96.6Very high65 Ų6541.8 Ų41.835%0.34825%0.245SC..SBendtrans-83.368.4172.2-172.814.4000110.3T28 V31 I47T28-D71 WeakPolarHBondContact CA-OD1 3.43Å; T28-D71 WeakPolarHBondContact CB-OD1 3.27Å; T28-D71 PolarHBondContact OG1-OD1 3.1Å; V31-D71 HydrophobicContact CG2-CB 4.05Å; I47-D71 HydrophobicContact CD1-CB 3.7Å; I47-D71 HydrophobicContact CG1-CB 4Å
72D96.9Very high96.3Very high66 Ų6647.3 Ų47.335%0.35327%0.266SS..SBendtrans-151-168.6178.164.919.1000111.1G27 T28 K70 T74G27-D72 PolarHBondContact N-O 2.87Å; T28-D72 PolarHBondContact N-O 3.11Å; T28-D72 VanDerWaalsContact N-O 3.11Å; T28-D72 WeakPolarHBondContact OG1-CA 3.43Å; T28-D72 PolarHBondContact OG1-N 3.18Å; T28-D72 PolarHBondContact OG1-O 2.74Å; K70-D72 WeakPolarHBondContact CB-OD1 3.35Å; K70-D72 PolarHBondContact O-N 3.19Å; D72-T74 PolarHBondContact O-N 2.9Å; D72-T74 VanDerWaalsContact O-N 3.14Å; D72-T74 WeakPolarHBondContact OD1-CA 3.4Å; D72-T74 WeakPolarHBondContact OD1-CB 3.22Å; D72-T74 PolarHBondContact OD1-N 3.2Å; D72-T74 PolarHBondContact OD1-OG1 3.22Å; D72-T74 PolarHBondContact OD2-OG1 3.38Å
73G96.2Very high96.3Very high53 Ų5346.9 Ų46.955%0.54626%0.263SS..SBendtrans-71.67.2176.900000115.5F75G73-F75 PolarHBondContact O-N 3.34Å
74T97.1Very high96.5Very high29 Ų2945.9 Ų45.918%0.17824%0.243CC..  trans-58.7135.7176.8-63.30000110.1T26 G27 P61 D72 Y76T26-T74 CarbonylContact C-O 3.45Å; T26-T74 WeakPolarHBondContact CA-O 3.44Å; G27-T74 PolarHBondContact N-O 3.46Å; P61-T74 HydrophobicContact CB-CG2 4.43Å; D72-T74 PolarHBondContact O-N 2.9Å; D72-T74 VanDerWaalsContact O-N 3.14Å; D72-T74 WeakPolarHBondContact OD1-CA 3.4Å; D72-T74 WeakPolarHBondContact OD1-CB 3.22Å; D72-T74 PolarHBondContact OD1-N 3.2Å; D72-T74 PolarHBondContact OD1-OG1 3.22Å; D72-T74 PolarHBondContact OD2-OG1 3.38Å; T74-Y76 HydrophobicContact CG2-CD2 4.4Å; T74-Y76 HydrophobicContact CG2-CE2 3.68Å; T74-Y76 VanDerWaalsContact O-CD2 3.3Å; T74-Y76 WeakPolarHBondContact O-CD2 3.39Å
75F97.4Very high96.1Very high60 Ų6044.8 Ų44.826%0.26324%0.24SC..EExtended strand (participates in β ladder)trans-90.1130.1-178.1-65.6-55000112.3V14 V24 V25 T26 I62 G73V14-F75 HydrophobicContact CB-CZ 4.32Å; V14-F75 HydrophobicContact CG1-CE2 4.42Å; V14-F75 HydrophobicContact CG1-CZ 4.05Å; V14-F75 HydrophobicContact CG2-CE1 3.75Å; V14-F75 HydrophobicContact CG2-CZ 3.76Å; V24-F75 HydrophobicContact CB-CB 4.13Å; V24-F75 HydrophobicContact CB-CD1 4.18Å; V24-F75 HydrophobicContact CB-CG 4.36Å; V24-F75 HydrophobicContact CG1-CB 4.22Å; V24-F75 HydrophobicContact CG2-CD1 3.87Å; V24-F75 HydrophobicContact CG2-CE1 4.37Å; V24-F75 HydrophobicContact CG2-CG 4.25Å; V25-F75 WeakPolarHBondContact O-CA 3.47Å; T26-F75 HydrophobicContact CG2-CD1 4.22Å; T26-F75 HydrophobicContact CG2-CE1 3.96Å; I62-F75 HydrophobicContact CD1-CB 3.53Å; I62-F75 HydrophobicContact CD1-CD2 4.33Å; I62-F75 HydrophobicContact CD1-CG 4.32Å; I62-F75 HydrophobicContact CG1-CB 3.87Å; I62-F75 PolarHBondContact N-O 3.31Å; G73-F75 PolarHBondContact O-N 3.34Å
76Y98.1Very high95.6Very high2 Ų245.2 Ų45.21%0.00825%0.247CC..EExtended strand (participates in β ladder)trans-116.9160.3176.9-67.5-93.1000111.3V24 V25 I30 I59 F60 P61 T68 M69 K70 T74V24-Y76 VanDerWaalsContact CA-O 3.29Å; V24-Y76 WeakPolarHBondContact CA-O 3.32Å; V25-Y76 PolarHBondContact N-O 3.42Å; V25-Y76 PolarHBondContact O-N 3.01Å; I30-Y76 HydrophobicContact CD1-CD2 4.25Å; I30-Y76 HydrophobicContact CD1-CG 4.06Å; I59-Y76 HydrophobicContact CG2-CD1 4.02Å; I59-Y76 HydrophobicContact CG2-CG 4.23Å; F60-Y76 CarbonylContact O-C 3.49Å; F60-Y76 VanDerWaalsContact O-CA 3.27Å; F60-Y76 WeakPolarHBondContact O-CA 3.27Å; P61-Y76 HydrophobicContact CB-CD1 4.11Å; P61-Y76 HydrophobicContact CB-CE1 3.73Å; P61-Y76 HydrophobicContact CG-CE1 4.19Å; T68-Y76 VanDerWaalsContact O-CE1 3.26Å; T68-Y76 WeakPolarHBondContact O-CE1 3.34Å; T68-Y76 PolarHBondContact O-OH 2.97Å; M69-Y76 VanDerWaalsContact CA-OH 3.28Å; M69-Y76 WeakPolarHBondContact CA-OH 3.49Å; K70-Y76 PolarHBondContact N-OH 3.12Å; T74-Y76 HydrophobicContact CG2-CD2 4.4Å; T74-Y76 HydrophobicContact CG2-CE2 3.68Å; T74-Y76 VanDerWaalsContact O-CD2 3.3Å; T74-Y76 WeakPolarHBondContact O-CD2 3.39Å
77R97.6Very high95Very high18 Ų1845.8 Ų45.87%0.06825%0.248CC..EExtended strand (participates in β ladder)trans-136145.2173.4-176.4174.3-69.3152.90110.7P22 S23 I59 F60 I62 S159P22-R77 PolarHBondContact O-NH2 3.06Å; S23-R77 PolarHBondContact O-NE 2.84Å; S23-R77 VanDerWaalsContact O-NE 3.16Å; I59-R77 CarbonylContact C-O 3.6Å; I59-R77 WeakPolarHBondContact CA-O 3.11Å; F60-R77 WeakPolarHBondContact CD1-O 3.43Å; F60-R77 HydrophobicContact CE1-CB 4.28Å; F60-R77 HydrophobicContact CE1-CG 4.42Å; F60-R77 HydrophobicContact CE2-CB 3.98Å; F60-R77 HydrophobicContact CZ-CB 3.84Å; F60-R77 HydrophobicContact CZ-CG 3.99Å; F60-R77 PolarHBondContact N-O 3.04Å; F60-R77 PolarHBondContact O-N 2.91Å; I62-R77 HydrophobicContact CG2-CB 3.99Å; R77-S159 PolarHBondContact NH1-OG 3.49Å
78F97.8Very high94Very high24 Ų2448 Ų4811%0.10527%0.265CS..EExtended strand (participates in β ladder)trans-74137.2171.3-66.6-78.8000111.4M1 Q2 I11 V25 I59M1-F78 HydrophobicContact CB-CE1 3.91Å; M1-F78 HydrophobicContact CB-CZ 3.96Å; M1-F78 HydrophobicContact CE-CE1 4.21Å; M1-F78 HydrophobicContact CE-CZ 4.28Å; M1-F78 HydrophobicContact SD-CE1 4.28Å; Q2-F78 HydrophobicContact CG-CD1 3.82Å; Q2-F78 HydrophobicContact CG-CD2 3.72Å; Q2-F78 HydrophobicContact CG-CE1 3.86Å; Q2-F78 HydrophobicContact CG-CE2 3.75Å; Q2-F78 HydrophobicContact CG-CG 3.76Å; Q2-F78 HydrophobicContact CG-CZ 3.83Å; Q2-F78 VanDerWaalsContact NE2-CG 3.32Å; I11-F78 HydrophobicContact CD1-CD2 4.29Å; I11-F78 HydrophobicContact CD1-CE2 4.24Å; I11-F78 HydrophobicContact CG1-CE2 4.34Å; V25-F78 HydrophobicContact CG1-CE2 4.09Å; V25-F78 HydrophobicContact CG2-CE2 4.34Å; I59-F78 HydrophobicContact CD1-CD1 3.99Å; I59-F78 HydrophobicContact CD1-CE1 3.55Å; I59-F78 HydrophobicContact CD1-CZ 4.38Å; I59-F78 HydrophobicContact CG1-CD1 3.66Å; I59-F78 HydrophobicContact CG1-CE1 3.79Å
79Q97.6Very high93.4Very high5 Ų546.7 Ų46.72%0.02325%0.254CS..PPolyproline II helixtrans-74.1144.8175.7-176.559.8-79.800111.7G57 Y58 F60 F83 W84 Q160G57-Q79 WeakPolarHBondContact O-CB 3.47Å; G57-Q79 WeakPolarHBondContact O-CG 3.45Å; Y58-Q79 WeakPolarHBondContact O-CB 3.47Å; Y58-Q79 PolarHBondContact O-N 3.08Å; F60-Q79 HydrophobicContact CD1-CB 4.31Å; F60-Q79 HydrophobicContact CE1-CB 4.22Å; Q79-F83 HydrophobicContact CG-CB 3.72Å; Q79-W84 PolarHBondContact O-NE1 3.22Å; Q79-Q160 PolarHBondContact NE2-O 3.22Å; Q79-Q160 VanDerWaalsContact OE1-CB 3.27Å
80A95.6Very high92.7Very high23 Ų2350.5 Ų50.519%0.1927%0.271CS..PPolyproline II helixtrans-65.6137.5173.100000110.4Y82 F83A80-Y82 PolarHBondContact O-N 2.83Å; A80-F83 HydrophobicContact CB-CD2 4.28Å; A80-F83 PolarHBondContact O-N 3.37Å
81P94.3Very high92.4Very high79 Ų7946.9 Ų46.951%0.51326%0.257SS..G310 helixtrans-54.6-26.6179.9-29.135.7000115.2F83 W84 N87P81-F83 VanDerWaalsContact C-N 3.25Å; P81-F83 PolarHBondContact O-N 2.7Å; P81-W84 HydrophobicContact CB-CD2 4.13Å; P81-W84 HydrophobicContact CB-CE3 4.29Å; P81-W84 HydrophobicContact CB-CH2 4.48Å; P81-W84 HydrophobicContact CB-CZ2 4.31Å; P81-W84 HydrophobicContact CB-CZ3 4.47Å; P81-W84 HydrophobicContact CG-CH2 4.3Å; P81-W84 HydrophobicContact CG-CZ2 3.96Å; P81-W84 WeakPolarHBondContact O-CB 3.39Å; P81-W84 PolarHBondContact O-N 3.45Å; P81-N87 PolarHBondContact O-ND2 3.48Å
82Y92.4Very high92.1Very high119 Ų11949.4 Ų49.447%0.46727%0.266SS..G310 helixtrans-55.9-39.7172.6175.9-102.5000112.6A80 N87 W89A80-Y82 PolarHBondContact O-N 2.83Å; Y82-N87 PolarHBondContact O-ND2 3.18Å; Y82-W89 HydrophobicContact CD1-CZ2 4.32Å; Y82-W89 HydrophobicContact CD2-CZ2 4.32Å; Y82-W89 HydrophobicContact CE1-CH2 4.09Å; Y82-W89 AromaticContact CE1-CZ2 3.9Å; Y82-W89 HydrophobicContact CE1-CZ2 3.9Å; Y82-W89 HydrophobicContact CE2-CH2 4.01Å; Y82-W89 AromaticContact CE2-CZ2 3.91Å; Y82-W89 HydrophobicContact CE2-CZ2 3.91Å; Y82-W89 AromaticContact CZ-CH2 3.59Å; Y82-W89 AromaticContact CZ-CZ2 3.69Å; Y82-W89 WeakPolarHBondContact O-CZ2 3.29Å; Y82-W89 PolarHBondContact O-NE1 2.91Å; Y82-W89 WeakPolarHBondContact OH-CH2 3.49Å
83F94.9Very high92Very high26 Ų2650.1 Ų50.111%0.11427%0.27CS..G310 helixtrans-916.4-178-67.9-54.8000113.9Q79 A80 P81 Q160 E161 F164Q79-F83 HydrophobicContact CG-CB 3.72Å; A80-F83 HydrophobicContact CB-CD2 4.28Å; A80-F83 PolarHBondContact O-N 3.37Å; P81-F83 VanDerWaalsContact C-N 3.25Å; P81-F83 PolarHBondContact O-N 2.7Å; F83-Q160 HydrophobicContact CD2-CB 4.24Å; F83-Q160 HydrophobicContact CE2-CB 4.19Å; F83-E161 HydrophobicContact CZ-CB 4.41Å; F83-F164 HydrophobicContact CB-CB 4.21Å; F83-F164 HydrophobicContact CB-CD2 3.96Å; F83-F164 HydrophobicContact CB-CG 4.48Å; F83-F164 HydrophobicContact CD1-CB 3.79Å; F83-F164 HydrophobicContact CD1-CD1 4.42Å; F83-F164 AromaticContact CD1-CD2 3.44Å; F83-F164 HydrophobicContact CD1-CD2 3.44Å; F83-F164 VanDerWaalsContact CD1-CD2 3.44Å; F83-F164 HydrophobicContact CD1-CE2 4.08Å; F83-F164 AromaticContact CD1-CG 3.62Å; F83-F164 HydrophobicContact CD1-CG 3.62Å; F83-F164 HydrophobicContact CE1-CB 4.28Å; F83-F164 HydrophobicContact CE1-CD2 4.3Å; F83-F164 HydrophobicContact CE1-CG 4.12Å; F83-F164 HydrophobicContact CG-CB 3.99Å; F83-F164 HydrophobicContact CG-CD2 4.06Å; F83-F164 HydrophobicContact CG-CG 4.26Å
84W93.8Very high92Very high81 Ų8149.8 Ų49.831%0.30726%0.258SS..  trans-66.7142.7179.2-72.8-0.8000112Y58 Q79 P81 S86 N87Y58-W84 AromaticContact CD1-CD1 3.85Å; Y58-W84 HydrophobicContact CD1-CD2 4.01Å; Y58-W84 AromaticContact CD1-CE2 3.94Å; Y58-W84 AromaticContact CD1-CG 3.96Å; Y58-W84 HydrophobicContact CD1-CG 3.96Å; Y58-W84 AromaticContact CD1-NE1 3.84Å; Y58-W84 HydrophobicContact CE1-CB 4.12Å; Y58-W84 AromaticContact CE1-CD2 3.79Å; Y58-W84 HydrophobicContact CE1-CD2 3.79Å; Y58-W84 HydrophobicContact CE1-CE3 4.22Å; Y58-W84 AromaticContact CE1-CG 3.76Å; Y58-W84 HydrophobicContact CE1-CG 3.76Å; Q79-W84 PolarHBondContact O-NE1 3.22Å; P81-W84 HydrophobicContact CB-CD2 4.13Å; P81-W84 HydrophobicContact CB-CE3 4.29Å; P81-W84 HydrophobicContact CB-CH2 4.48Å; P81-W84 HydrophobicContact CB-CZ2 4.31Å; P81-W84 HydrophobicContact CB-CZ3 4.47Å; P81-W84 HydrophobicContact CG-CH2 4.3Å; P81-W84 HydrophobicContact CG-CZ2 3.96Å; P81-W84 WeakPolarHBondContact O-CB 3.39Å; P81-W84 PolarHBondContact O-N 3.45Å; W84-S86 PolarHBondContact O-N 3.5Å; W84-N87 WeakPolarHBondContact O-CB 3.14Å; W84-N87 PolarHBondContact O-N 3.06Å; W84-N87 VanDerWaalsContact O-N 3.11Å
85P87.3Confident91.9Very high35 Ų3548.6 Ų48.623%0.22725%0.25CS..G310 helixtrans-64.5-22.5-179.428-37.5000112.8Q56 Y58 N87 C88Q56-P85 WeakPolarHBondContact O-CD 3.25Å; Q56-P85 WeakPolarHBondContact O-CG 3.48Å; Y58-P85 HydrophobicContact CE1-CG 4.45Å; Y58-P85 HydrophobicContact CE2-CG 3.88Å; P85-N87 PolarHBondContact O-N 2.99Å; P85-N87 VanDerWaalsContact O-N 3.17Å; P85-C88 PolarHBondContact O-N 3.26Å
86S85.8Confident91.9Very high48 Ų4845.9 Ų45.934%0.33624%0.238SC..G310 helixtrans-62.8-17.4174.954.90000113.9W84 C88W84-S86 PolarHBondContact O-N 3.5Å; S86-C88 PolarHBondContact O-N 3.38Å
87N84.6Confident91.9Very high55 Ų5545.8 Ų45.829%0.29424%0.238SC..G310 helixtrans-754170.8-64.2-24.1000113.1P81 Y82 W84 P85 W89P81-N87 PolarHBondContact O-ND2 3.48Å; Y82-N87 PolarHBondContact O-ND2 3.18Å; W84-N87 WeakPolarHBondContact O-CB 3.14Å; W84-N87 PolarHBondContact O-N 3.06Å; W84-N87 VanDerWaalsContact O-N 3.11Å; P85-N87 PolarHBondContact O-N 2.99Å; P85-N87 VanDerWaalsContact O-N 3.17Å; N87-W89 PolarHBondContact O-N 3.16Å
88C78Confident91.9Very high65 Ų6545 Ų4544%0.43924%0.235SC..  trans56.247.2175.4-580000113.1P85 S86P85-C88 PolarHBondContact O-N 3.26Å; S86-C88 PolarHBondContact O-N 3.38Å
89W83.4Confident91.9Very high28 Ų2844 Ų4411%0.10623%0.231CC..BIsolated β-bridgetrans-63.7130.8178.6-73.1109.3000112.1Y82 N87 F164 V198Y82-W89 HydrophobicContact CD1-CZ2 4.32Å; Y82-W89 HydrophobicContact CD2-CZ2 4.32Å; Y82-W89 HydrophobicContact CE1-CH2 4.09Å; Y82-W89 AromaticContact CE1-CZ2 3.9Å; Y82-W89 HydrophobicContact CE1-CZ2 3.9Å; Y82-W89 HydrophobicContact CE2-CH2 4.01Å; Y82-W89 AromaticContact CE2-CZ2 3.91Å; Y82-W89 HydrophobicContact CE2-CZ2 3.91Å; Y82-W89 AromaticContact CZ-CH2 3.59Å; Y82-W89 AromaticContact CZ-CZ2 3.69Å; Y82-W89 WeakPolarHBondContact O-CZ2 3.29Å; Y82-W89 PolarHBondContact O-NE1 2.91Å; Y82-W89 WeakPolarHBondContact OH-CH2 3.49Å; N87-W89 PolarHBondContact O-N 3.16Å; W89-F164 HydrophobicContact CB-CE2 4.13Å; W89-F164 HydrophobicContact CB-CZ 4.41Å; W89-F164 AromaticContact CD1-CE2 3.85Å; W89-F164 AromaticContact CD2-CE2 3.92Å; W89-F164 HydrophobicContact CD2-CE2 3.92Å; W89-F164 HydrophobicContact CD2-CZ 4.22Å; W89-F164 HydrophobicContact CE3-CZ 4.38Å; W89-F164 AromaticContact CG-CE2 3.72Å; W89-F164 HydrophobicContact CG-CE2 3.72Å; W89-F164 HydrophobicContact CG-CZ 4.25Å; W89-V198 HydrophobicContact CE3-CG2 4.29Å; W89-V198 HydrophobicContact CZ3-CG2 4.02Å
90E83.7Confident91.9Very high92 Ų9243.8 Ų43.843%0.4323%0.23SC..  trans-126.270.7166.9-73.1-175171.600108.7K193E90-K193 IonicContact OE1-NZ 2.76Å; E90-K193 PolarHBondContact OE1-NZ 3.05Å; E90-K193 IonicContact OE2-NZ 2.71Å
91P90.1Very high92Very high12 Ų1242.9 Ų42.98%0.07822%0.222CC..  trans-70135.6-17128.2-33.8000112.1F164 W165 H168 R169 V198P91-F164 HydrophobicContact CB-CE1 4.18Å; P91-F164 HydrophobicContact CB-CZ 4.01Å; P91-F164 HydrophobicContact CG-CE1 4.24Å; P91-F164 HydrophobicContact CG-CZ 3.94Å; P91-W165 HydrophobicContact CB-CH2 3.68Å; P91-W165 HydrophobicContact CB-CZ3 3.82Å; P91-W165 HydrophobicContact CG-CH2 4.37Å; P91-W165 HydrophobicContact CG-CZ3 4Å; P91-H168 HydrophobicContact CG-CB 3.69Å; P91-R169 PolarHBondContact O-NH2 3.46Å; P91-V198 HydrophobicContact CB-CG2 4.05Å
92E92.2Very high92Very high117 Ų11739.3 Ų39.355%0.54720%0.198SC..  trans-81.2162.5-174.5-63.3-169.917600112.3T94 D95 Y96E92-T94 PolarHBondContact O-N 3.39Å; E92-D95 PolarHBondContact N-OD2 3.32Å; E92-D95 VanDerWaalsContact N-OD2 3.1Å; E92-D95 PolarHBondContact O-N 3.14Å; E92-Y96 PolarHBondContact O-N 3.11Å
93N95.4Very high92.2Very high81 Ų8134.2 Ų34.243%0.43318%0.178SC..Hα-helixtrans-64.5-26.4173.6-74.1-18.5000112.6Y96 A97 L124 F128 R169N93-Y96 PolarHBondContact O-N 3.38Å; N93-A97 WeakPolarHBondContact O-CB 3.46Å; N93-A97 PolarHBondContact O-N 3.07Å; N93-L124 HydrophobicContact CB-CD2 3.82Å; N93-F128 HydrophobicContact CB-CE2 3.94Å; N93-F128 HydrophobicContact CB-CZ 3.82Å; N93-R169 PolarHBondContact OD1-NH2 3.23Å
94T95.4Very high92.2Very high47 Ų4736 Ų3629%0.28819%0.191SC..Hα-helixtrans-65.4-45.2173.6-47.70000110.8E92 Y96 A97 I98 I135E92-T94 PolarHBondContact O-N 3.39Å; T94-Y96 VanDerWaalsContact C-N 3.33Å; T94-Y96 PolarHBondContact O-N 3.41Å; T94-A97 WeakPolarHBondContact O-CB 3.2Å; T94-A97 PolarHBondContact O-N 3.32Å; T94-I98 HydrophobicContact CG2-CD1 4.45Å; T94-I98 WeakPolarHBondContact O-CG1 3.4Å; T94-I98 PolarHBondContact O-N 3.41Å; T94-I135 HydrophobicContact CG2-CG1 4.31Å
95D95.3Very high92.1Very high4 Ų434.1 Ų34.12%0.02119%0.187CC..Hα-helixtrans-60.6-44.4176.7-60-56000110.4E92 A97 I98 Y99 W165 S197 V198 Y199E92-D95 PolarHBondContact N-OD2 3.32Å; E92-D95 VanDerWaalsContact N-OD2 3.1Å; E92-D95 PolarHBondContact O-N 3.14Å; D95-A97 VanDerWaalsContact C-N 3.32Å; D95-A97 PolarHBondContact O-N 2.95Å; D95-I98 WeakPolarHBondContact O-CB 3.5Å; D95-I98 PolarHBondContact O-N 3.4Å; D95-Y99 PolarHBondContact O-N 3.03Å; D95-W165 HydrophobicContact CB-CH2 3.79Å; D95-W165 HydrophobicContact CB-CZ2 3.93Å; D95-S197 PolarHBondContact OD1-OG 3.28Å; D95-V198 HydrophobicContact CB-CB 4.32Å; D95-V198 HydrophobicContact CB-CG2 4.29Å; D95-V198 PolarHBondContact OD1-N 2.85Å; D95-Y199 HydrophobicContact CB-CD2 4.03Å; D95-Y199 HydrophobicContact CB-CE2 4.03Å; D95-Y199 VanDerWaalsContact O-CE2 3.25Å; D95-Y199 WeakPolarHBondContact O-CE2 3.38Å
96Y97.6Very high92.1Very high3 Ų333.5 Ų33.51%0.01218%0.18CC..Hα-helixtrans-64.8-36178.4-169.6-136.7000112.6E92 N93 T94 Y99 L100 N120 L124 W165 R169E92-Y96 PolarHBondContact O-N 3.11Å; N93-Y96 PolarHBondContact O-N 3.38Å; T94-Y96 VanDerWaalsContact C-N 3.33Å; T94-Y96 PolarHBondContact O-N 3.41Å; Y96-Y99 AromaticContact CD2-CD1 3.92Å; Y96-Y99 HydrophobicContact CD2-CD1 3.92Å; Y96-Y99 AromaticContact CE2-CD1 3.84Å; Y96-Y99 HydrophobicContact CE2-CD1 3.84Å; Y96-Y99 HydrophobicContact CE2-CE1 4.28Å; Y96-Y99 WeakPolarHBondContact O-CB 3.43Å; Y96-Y99 PolarHBondContact O-N 3.21Å; Y96-L100 HydrophobicContact CD1-CD1 4.07Å; Y96-L100 HydrophobicContact CD2-CD1 4.45Å; Y96-L100 HydrophobicContact CD2-CG 4.2Å; Y96-L100 HydrophobicContact CE1-CD1 3.68Å; Y96-L100 HydrophobicContact CE1-CG 4.38Å; Y96-L100 HydrophobicContact CE2-CD1 4.1Å; Y96-L100 HydrophobicContact CE2-CD2 3.94Å; Y96-L100 HydrophobicContact CE2-CG 3.89Å; Y96-L100 HydrophobicContact CG-CD1 4.43Å; Y96-L100 WeakPolarHBondContact O-CG 3.24Å; Y96-L100 PolarHBondContact O-N 2.86Å; Y96-N120 HydrophobicContact CE1-CB 3.95Å; Y96-L124 HydrophobicContact CD1-CD1 3.75Å; Y96-L124 HydrophobicContact CE1-CD1 4.37Å; Y96-L124 HydrophobicContact CG-CD1 4.46Å; Y96-W165 AromaticContact CD2-CD2 3.57Å; Y96-W165 HydrophobicContact CD2-CD2 3.57Å; Y96-W165 AromaticContact CD2-CE3 3.43Å; Y96-W165 HydrophobicContact CD2-CE3 3.43Å; Y96-W165 VanDerWaalsContact CD2-CE3 3.43Å; Y96-W165 HydrophobicContact CD2-CG 4.09Å; Y96-W165 HydrophobicContact CD2-CH2 4.26Å; Y96-W165 HydrophobicContact CD2-CZ2 4.4Å; Y96-W165 AromaticContact CD2-CZ3 3.81Å; Y96-W165 HydrophobicContact CD2-CZ3 3.81Å; Y96-W165 HydrophobicContact CE2-CB 4.26Å; Y96-W165 HydrophobicContact CE2-CD2 4.16Å; Y96-W165 HydrophobicContact CE2-CE3 4.11Å; Y96-W165 HydrophobicContact CE2-CG 4.24Å; Y96-W165 HydrophobicContact CG-CE3 4.05Å; Y96-W165 HydrophobicContact CG-CH2 4.37Å; Y96-W165 AromaticContact CG-CZ3 3.97Å; Y96-W165 HydrophobicContact CG-CZ3 3.97Å; Y96-W165 VanDerWaalsContact N-CH2 3.32Å; Y96-R169 HydrophobicContact CD1-CG 3.79Å; Y96-R169 HydrophobicContact CD2-CG 4.01Å; Y96-R169 HydrophobicContact CE1-CB 4.02Å; Y96-R169 HydrophobicContact CE1-CG 3.79Å; Y96-R169 HydrophobicContact CE2-CB 4.05Å; Y96-R169 HydrophobicContact CE2-CG 4.02Å; Y96-R169 HydrophobicContact CG-CG 3.92Å
97A97.8Very high91.9Very high0 Ų038.5 Ų38.50%020%0.203CC..Hα-helixtrans-64.3-40.8174.700000112.1N93 T94 D95 C101 L124 F128 W132 I135N93-A97 WeakPolarHBondContact O-CB 3.46Å; N93-A97 PolarHBondContact O-N 3.07Å; T94-A97 WeakPolarHBondContact O-CB 3.2Å; T94-A97 PolarHBondContact O-N 3.32Å; D95-A97 VanDerWaalsContact C-N 3.32Å; D95-A97 PolarHBondContact O-N 2.95Å; A97-C101 WeakPolarHBondContact O-CB 3.49Å; A97-C101 PolarHBondContact O-N 3.04Å; A97-L124 HydrophobicContact CB-CB 4.18Å; A97-L124 HydrophobicContact CB-CD1 4.11Å; A97-F128 HydrophobicContact CB-CD2 4.34Å; A97-W132 HydrophobicContact CB-CZ3 4.32Å; A97-I135 HydrophobicContact CB-CD1 4.06Å; A97-I135 HydrophobicContact CB-CG2 4.03Å
98I97.3Very high92Very high2 Ų238.7 Ų38.71%0.0120%0.202CC..Hα-helixtrans-61.4-46.6174.5-64.2162.6000109.9T94 D95 C101 K102 I135 Q138 A139 Y199T94-I98 HydrophobicContact CG2-CD1 4.45Å; T94-I98 WeakPolarHBondContact O-CG1 3.4Å; T94-I98 PolarHBondContact O-N 3.41Å; D95-I98 WeakPolarHBondContact O-CB 3.5Å; D95-I98 PolarHBondContact O-N 3.4Å; I98-C101 PolarHBondContact O-N 3.45Å; I98-K102 WeakPolarHBondContact O-CB 3.47Å; I98-K102 PolarHBondContact O-N 3.4Å; I98-I135 HydrophobicContact CG1-CG2 3.97Å; I98-Q138 HydrophobicContact CD1-CB 4.25Å; I98-Q138 HydrophobicContact CG1-CB 4.37Å; I98-A139 HydrophobicContact CG2-CB 4.23Å; I98-Y199 HydrophobicContact CB-CD2 4.11Å; I98-Y199 HydrophobicContact CB-CE2 4.17Å; I98-Y199 HydrophobicContact CD1-CD2 4.08Å; I98-Y199 HydrophobicContact CG2-CD2 4.01Å; I98-Y199 HydrophobicContact CG2-CE2 4.18Å; I98-Y199 HydrophobicContact CG2-CG 4.19Å
99Y97.6Very high92.3Very high3 Ų339.1 Ų39.11%0.01221%0.21CC..Hα-helixtrans-56.2-53.3177.5171.8-110.1000112.7D95 Y96 K102 R103 E161 R162 W165 Y199D95-Y99 PolarHBondContact O-N 3.03Å; Y96-Y99 AromaticContact CD2-CD1 3.92Å; Y96-Y99 HydrophobicContact CD2-CD1 3.92Å; Y96-Y99 AromaticContact CE2-CD1 3.84Å; Y96-Y99 HydrophobicContact CE2-CD1 3.84Å; Y96-Y99 HydrophobicContact CE2-CE1 4.28Å; Y96-Y99 WeakPolarHBondContact O-CB 3.43Å; Y96-Y99 PolarHBondContact O-N 3.21Å; Y99-K102 WeakPolarHBondContact O-CB 3.33Å; Y99-K102 PolarHBondContact O-N 2.89Å; Y99-R103 HydrophobicContact CE2-CG 4.29Å; Y99-R103 PolarHBondContact O-N 3.36Å; Y99-R103 VanDerWaalsContact OH-CD 3.28Å; Y99-R103 WeakPolarHBondContact OH-CD 3.49Å; Y99-R103 PolarHBondContact OH-NH1 2.98Å; Y99-R103 VanDerWaalsContact OH-NH1 3.1Å; Y99-E161 HydrophobicContact CD2-CG 3.84Å; Y99-E161 HydrophobicContact CE2-CB 4.47Å; Y99-E161 HydrophobicContact CE2-CG 3.81Å; Y99-R162 VanDerWaalsContact OH-CA 3.26Å; Y99-R162 WeakPolarHBondContact OH-CA 3.41Å; Y99-R162 WeakPolarHBondContact OH-CB 3.32Å; Y99-W165 HydrophobicContact CD1-CB 4.38Å; Y99-W165 AromaticContact CD1-CD1 3.41Å; Y99-W165 VanDerWaalsContact CD1-CD1 3.41Å; Y99-W165 HydrophobicContact CD1-CD2 4.4Å; Y99-W165 AromaticContact CD1-CG 3.82Å; Y99-W165 HydrophobicContact CD1-CG 3.82Å; Y99-W165 AromaticContact CD1-NE1 3.76Å; Y99-W165 AromaticContact CD2-CD1 3.42Å; Y99-W165 VanDerWaalsContact CD2-CD1 3.42Å; Y99-W165 AromaticContact CD2-NE1 3.5Å; Y99-W165 HydrophobicContact CE1-CB 4.09Å; Y99-W165 AromaticContact CE1-CD1 3.62Å; Y99-W165 AromaticContact CE1-CG 3.96Å; Y99-W165 HydrophobicContact CE1-CG 3.96Å; Y99-W165 AromaticContact CE2-CD1 3.62Å; Y99-W165 AromaticContact CG-CD1 3.3Å; Y99-W165 HydrophobicContact CG-CG 4.12Å; Y99-W165 AromaticContact CG-NE1 3.25Å; Y99-W165 AromaticContact CZ-CD1 3.71Å; Y99-Y199 WeakPolarHBondContact CB-OH 3.21Å
100L97.8Very high92.4Very high0 Ų043.1 Ų43.10%023%0.225CC..Hα-helixtrans-64.8-43.4-179-67.4178.7000111.3Y96 K102 R103 T104 L113 E117 N120 L121 L124Y96-L100 HydrophobicContact CD1-CD1 4.07Å; Y96-L100 HydrophobicContact CD2-CD1 4.45Å; Y96-L100 HydrophobicContact CD2-CG 4.2Å; Y96-L100 HydrophobicContact CE1-CD1 3.68Å; Y96-L100 HydrophobicContact CE1-CG 4.38Å; Y96-L100 HydrophobicContact CE2-CD1 4.1Å; Y96-L100 HydrophobicContact CE2-CD2 3.94Å; Y96-L100 HydrophobicContact CE2-CG 3.89Å; Y96-L100 HydrophobicContact CG-CD1 4.43Å; Y96-L100 WeakPolarHBondContact O-CG 3.24Å; Y96-L100 PolarHBondContact O-N 2.86Å; L100-K102 PolarHBondContact O-N 3.26Å; L100-R103 PolarHBondContact O-N 2.83Å; L100-T104 WeakPolarHBondContact O-CG2 3.36Å; L100-T104 PolarHBondContact O-N 3.26Å; L100-T104 VanDerWaalsContact O-N 3.15Å; L100-L113 HydrophobicContact CD2-CD2 3.83Å; L100-E117 HydrophobicContact CD2-CB 3.95Å; L100-E117 HydrophobicContact CD2-CG 4.4Å; L100-N120 HydrophobicContact CD1-CB 4.22Å; L100-L121 HydrophobicContact CB-CB 4.39Å; L100-L121 HydrophobicContact CB-CD1 3.88Å; L100-L121 HydrophobicContact CD1-CB 3.99Å; L100-L124 HydrophobicContact CD1-CD1 4.06Å
101C96.9Very high92.6Very high4 Ų439.4 Ų39.43%0.02721%0.208CC..Hα-helixtrans-58.5-48.7174.9-171.30000110.7A97 I98 R103 T104 M105 W132 I135 A139A97-C101 WeakPolarHBondContact O-CB 3.49Å; A97-C101 PolarHBondContact O-N 3.04Å; I98-C101 PolarHBondContact O-N 3.45Å; C101-R103 VanDerWaalsContact C-N 3.27Å; C101-R103 PolarHBondContact O-N 3.38Å; C101-T104 PolarHBondContact O-N 2.92Å; C101-T104 VanDerWaalsContact O-N 3.15Å; C101-T104 PolarHBondContact O-OG1 3.36Å; C101-M105 WeakPolarHBondContact O-CG 3.27Å; C101-M105 PolarHBondContact O-N 3.5Å; C101-W132 HydrophobicContact CB-CH2 4.35Å; C101-W132 HydrophobicContact CB-CZ2 4.4Å; C101-I135 HydrophobicContact CB-CG2 4.49Å; C101-A139 HydrophobicContact CB-CB 3.93Å
102K95.8Very high92.8Very high4 Ų445.4 Ų45.42%0.01724%0.235CC..Hα-helixtrans-54.4-42.2177-172.1-178.874.4163.30111.9I98 Y99 L100 M105 A139 Q142 V143 D146 E161I98-K102 WeakPolarHBondContact O-CB 3.47Å; I98-K102 PolarHBondContact O-N 3.4Å; Y99-K102 WeakPolarHBondContact O-CB 3.33Å; Y99-K102 PolarHBondContact O-N 2.89Å; L100-K102 PolarHBondContact O-N 3.26Å; K102-M105 PolarHBondContact O-N 2.84Å; K102-A139 HydrophobicContact CB-CB 4.16Å; K102-Q142 HydrophobicContact CD-CB 3.8Å; K102-Q142 HydrophobicContact CD-CG 3.48Å; K102-Q142 VanDerWaalsContact CD-CG 3.48Å; K102-V143 HydrophobicContact CG-CG2 3.58Å; K102-D146 IonicContact NZ-OD2 3.23Å; K102-D146 PolarHBondContact NZ-OD2 3.01Å; K102-E161 WeakPolarHBondContact CE-OE2 3.44Å; K102-E161 VanDerWaalsContact NZ-CD 3.25Å; K102-E161 IonicContact NZ-OE1 2.67Å; K102-E161 PolarHBondContact NZ-OE1 2.98Å; K102-E161 IonicContact NZ-OE2 2.7Å; K102-E161 PolarHBondContact NZ-OE2 3.48Å
103R95.4Very high92.9Very high11 Ų1141.5 Ų41.54%0.04222%0.218CC..Hα-helixtrans-63.8-44.9178-82.8-176.260.1-168.4-7.6113Y99 L100 C101 M105 Q106 L111 E112 L113 E117Y99-R103 HydrophobicContact CE2-CG 4.29Å; Y99-R103 PolarHBondContact O-N 3.36Å; Y99-R103 VanDerWaalsContact OH-CD 3.28Å; Y99-R103 WeakPolarHBondContact OH-CD 3.49Å; Y99-R103 PolarHBondContact OH-NH1 2.98Å; Y99-R103 VanDerWaalsContact OH-NH1 3.1Å; L100-R103 PolarHBondContact O-N 2.83Å; C101-R103 VanDerWaalsContact C-N 3.27Å; C101-R103 PolarHBondContact O-N 3.38Å; R103-M105 PolarHBondContact O-N 2.68Å; R103-Q106 PolarHBondContact O-N 3.01Å; R103-L111 PolarHBondContact NE-O 2.78Å; R103-L111 PolarHBondContact NH2-O 3.35Å; R103-E112 PolarHBondContact NH2-O 3.41Å; R103-L113 HydrophobicContact CB-CD2 3.91Å; R103-E117 IonicContact CZ-OE1 3.74Å; R103-E117 IonicContact CZ-OE2 3.69Å; R103-E117 VanDerWaalsContact CZ-OE2 3.26Å; R103-E117 IonicContact NH1-OE1 3.07Å; R103-E117 PolarHBondContact NH1-OE1 3.28Å; R103-E117 IonicContact NH1-OE2 2.67Å; R103-E117 PolarHBondContact NH1-OE2 2.8Å; R103-E117 IonicContact NH2-OE2 3.62Å; R103-E117 PolarHBondContact NH2-OE2 3.46Å
104T94.6Very high92.9Very high64 Ų6439.1 Ų39.139%0.39321%0.21SC..Hα-helixtrans-61.5-29.9178.363.50000112.9L100 C101 Q106 N107 L113 L121L100-T104 WeakPolarHBondContact O-CG2 3.36Å; L100-T104 PolarHBondContact O-N 3.26Å; L100-T104 VanDerWaalsContact O-N 3.15Å; C101-T104 PolarHBondContact O-N 2.92Å; C101-T104 VanDerWaalsContact O-N 3.15Å; C101-T104 PolarHBondContact O-OG1 3.36Å; T104-Q106 VanDerWaalsContact C-N 3.3Å; T104-Q106 PolarHBondContact O-N 3.36Å; T104-N107 PolarHBondContact O-OD1 2.82Å; T104-L113 HydrophobicContact CG2-CD1 3.57Å; T104-L113 HydrophobicContact CG2-CG 3.98Å; T104-L121 HydrophobicContact CG2-CD2 3.81Å
105M93.1Very high93Very high42 Ų4244 Ų4421%0.20723%0.234CC..THydrogen-bonded Turntrans-76.3-12.4-178.9-62.6173.182.900114.3C101 K102 R103 F136 A139 E140 V143C101-M105 WeakPolarHBondContact O-CG 3.27Å; C101-M105 PolarHBondContact O-N 3.5Å; K102-M105 PolarHBondContact O-N 2.84Å; R103-M105 PolarHBondContact O-N 2.68Å; M105-F136 HydrophobicContact CE-CD2 4.5Å; M105-F136 HydrophobicContact CE-CE1 4.14Å; M105-F136 HydrophobicContact CE-CE2 3.79Å; M105-F136 HydrophobicContact CE-CZ 3.58Å; M105-F136 HydrophobicContact CG-CE2 4.48Å; M105-F136 HydrophobicContact SD-CD2 4.45Å; M105-F136 HydrophobicContact SD-CE2 4.1Å; M105-F136 HydrophobicContact SD-CZ 4.48Å; M105-A139 HydrophobicContact SD-CB 4.02Å; M105-E140 HydrophobicContact CE-CB 3.74Å; M105-E140 HydrophobicContact CE-CG 3.75Å; M105-V143 HydrophobicContact CB-CG2 4.21Å; M105-V143 HydrophobicContact SD-CG2 4.47Å
106Q85.8Confident93.1Very high21 Ų2145.1 Ų45.110%0.09824%0.238CC..THydrogen-bonded Turntrans-86.8-13.2-173.8-69.5-16044.700114.5R103 T104 K108 L111 V143R103-Q106 PolarHBondContact O-N 3.01Å; T104-Q106 VanDerWaalsContact C-N 3.3Å; T104-Q106 PolarHBondContact O-N 3.36Å; Q106-K108 VanDerWaalsContact C-N 3.32Å; Q106-K108 WeakPolarHBondContact O-CG 3.16Å; Q106-K108 PolarHBondContact O-N 2.65Å; Q106-K108 VanDerWaalsContact OE1-NZ 3.14Å; Q106-L111 HydrophobicContact CB-CD1 3.67Å; Q106-L111 HydrophobicContact CG-CD1 4.01Å; Q106-V143 HydrophobicContact CG-CG2 4.5Å
107N82.3Confident93.1Very high153 Ų15345 Ų4582%0.81824%0.238SC*.  trans45.250.4178.7-64.8-13.5000113.6T104T104-N107 PolarHBondContact O-OD1 2.82Å
108K86.1Confident93.1Very high59 Ų5947.1 Ų47.126%0.25726%0.255SS..  trans-128.4128.3177.3-70.9169.6-167.5159.50109.1Q106 R110 L111 E112Q106-K108 VanDerWaalsContact C-N 3.32Å; Q106-K108 WeakPolarHBondContact O-CG 3.16Å; Q106-K108 PolarHBondContact O-N 2.65Å; Q106-K108 VanDerWaalsContact OE1-NZ 3.14Å; K108-R110 VanDerWaalsContact C-N 3.27Å; K108-R110 HydrophobicContact CB-CG 4.38Å; K108-R110 PolarHBondContact O-N 2.93Å; K108-R110 VanDerWaalsContact O-N 3.14Å; K108-L111 HydrophobicContact CB-CB 4.44Å; K108-L111 HydrophobicContact CB-CD1 4.4Å; K108-L111 HydrophobicContact CB-CG 4.4Å; K108-L111 HydrophobicContact CD-CD1 4.13Å; K108-L111 WeakPolarHBondContact O-CA 3.3Å; K108-L111 PolarHBondContact O-N 3.01Å; K108-E112 PolarHBondContact O-N 3.41Å
109A85.8Confident93.1Very high75 Ų7553.8 Ų53.862%0.6229%0.286SS*.G310 helixtrans-48.6-44.617900000113.7L111 E112A109-L111 PolarHBondContact O-N 2.72Å; A109-E112 WeakPolarHBondContact O-CB 3.44Å; A109-E112 PolarHBondContact O-N 3.36Å; A109-E112 VanDerWaalsContact O-N 3.1Å
110R84.4Confident93.1Very high112 Ų11254.9 Ų54.942%0.42329%0.292SS..G310 helixtrans-62.6-12.2177.877.2-179.5176.388.211.2115.6K108 D158K108-R110 VanDerWaalsContact C-N 3.27Å; K108-R110 HydrophobicContact CB-CG 4.38Å; K108-R110 PolarHBondContact O-N 2.93Å; K108-R110 VanDerWaalsContact O-N 3.14Å; R110-D158 IonicContact CZ-OD2 2.82Å; R110-D158 VanDerWaalsContact CZ-OD2 3.23Å; R110-D158 IonicContact NH1-OD2 2.69Å; R110-D158 PolarHBondContact NH1-OD2 2.75Å; R110-D158 IonicContact NH2-OD2 3.94Å; R110-D158 PolarHBondContact NH2-OD2 3.37Å
111L88.6Confident93.1Very high13 Ų1355.6 Ų55.67%0.06830%0.296CS..G310 helixtrans-115.51.2-178.8-65-178.6000111.9R103 Q106 K108 A109 D158R103-L111 PolarHBondContact NE-O 2.78Å; R103-L111 PolarHBondContact NH2-O 3.35Å; Q106-L111 HydrophobicContact CB-CD1 3.67Å; Q106-L111 HydrophobicContact CG-CD1 4.01Å; K108-L111 HydrophobicContact CB-CB 4.44Å; K108-L111 HydrophobicContact CB-CD1 4.4Å; K108-L111 HydrophobicContact CB-CG 4.4Å; K108-L111 HydrophobicContact CD-CD1 4.13Å; K108-L111 WeakPolarHBondContact O-CA 3.3Å; K108-L111 PolarHBondContact O-N 3.01Å; A109-L111 PolarHBondContact O-N 2.72Å; L111-D158 HydrophobicContact CD2-CB 4.21Å
112E92.8Very high93.2Very high138 Ų13857.4 Ų57.465%0.64531%0.311SS*.PPolyproline II helixtrans-54.7141.4173.6-76.2172-17400109.8R103 K108 A109R103-E112 PolarHBondContact NH2-O 3.41Å; K108-E112 PolarHBondContact O-N 3.41Å; A109-E112 WeakPolarHBondContact O-CB 3.44Å; A109-E112 PolarHBondContact O-N 3.36Å; A109-E112 VanDerWaalsContact O-N 3.1Å
113L95.7Very high93.3Very high36 Ų3663.6 Ų63.619%0.18833%0.334CS..PPolyproline II helixtrans-71.6135.7179.7-62.2-171.6000109L100 R103 T104 E117 A118 L121L100-L113 HydrophobicContact CD2-CD2 3.83Å; R103-L113 HydrophobicContact CB-CD2 3.91Å; T104-L113 HydrophobicContact CG2-CD1 3.57Å; T104-L113 HydrophobicContact CG2-CG 3.98Å; L113-E117 HydrophobicContact CB-CB 4.02Å; L113-E117 HydrophobicContact CD2-CB 4.28Å; L113-A118 HydrophobicContact CB-CB 4.35Å; L113-L121 HydrophobicContact CD1-CB 4.31Å; L113-L121 HydrophobicContact CD1-CD2 3.62Å
114A95.8Very high93.4Very high31 Ų3163.3 Ų63.326%0.25633%0.334SS..PPolyproline II helixtrans-66.5161.4164.100000110.2Y116 E117 A118A114-Y116 VanDerWaalsContact C-N 3.3Å; A114-Y116 HydrophobicContact CB-CD1 3.68Å; A114-Y116 HydrophobicContact CB-CE1 3.54Å; A114-Y116 PolarHBondContact O-N 2.9Å; A114-E117 HydrophobicContact CB-CG 4.24Å; A114-E117 PolarHBondContact N-OE2 3.49Å; A114-E117 WeakPolarHBondContact O-CA 3.12Å; A114-E117 WeakPolarHBondContact O-CB 3.47Å; A114-E117 PolarHBondContact O-N 2.89Å; A114-A118 PolarHBondContact O-N 3.5Å
115D96.9Very high93.6Very high149 Ų14964.1 Ų64.180%0.79733%0.333SS*.Hα-helixtrans-55.2-44.2-176.1-64.5-29.5000112.7E117 A118 E119D115-E117 VanDerWaalsContact C-N 3.29Å; D115-E117 PolarHBondContact O-N 3.33Å; D115-A118 PolarHBondContact O-N 3.01Å; D115-E119 PolarHBondContact O-N 3.11Å
116Y97Very high93.8Very high27 Ų2770.7 Ų70.711%0.10636%0.355CS..Hα-helixtrans-66-31.5177.680.4-85.4000112.7H65 A114 N120 V171 P172H65-Y116 PolarHBondContact ND1-OH 2.81Å; A114-Y116 VanDerWaalsContact C-N 3.3Å; A114-Y116 HydrophobicContact CB-CD1 3.68Å; A114-Y116 HydrophobicContact CB-CE1 3.54Å; A114-Y116 PolarHBondContact O-N 2.9Å; Y116-N120 WeakPolarHBondContact O-CB 3.47Å; Y116-N120 VanDerWaalsContact O-CG 3.3Å; Y116-N120 PolarHBondContact O-N 2.98Å; Y116-N120 PolarHBondContact O-ND2 3.46Å; Y116-V171 HydrophobicContact CE1-CG1 4.47Å; Y116-V171 HydrophobicContact CE1-CG2 4.01Å; Y116-P172 HydrophobicContact CD2-CG 4.45Å; Y116-P172 HydrophobicContact CG-CG 4.31Å
117E97.8Very high94.4Very high1 Ų173.1 Ų73.11%0.00538%0.379CS..Hα-helixtrans-72.7-39.3175.5-62.2-173.1117.200110.9H65 L100 R103 L113 A114 D115 N120 L121H65-E117 IonicContact CE1-OE1 3.2Å; H65-E117 IonicContact CE1-OE2 2.7Å; H65-E117 IonicContact NE2-OE2 3.02Å; L100-E117 HydrophobicContact CD2-CB 3.95Å; L100-E117 HydrophobicContact CD2-CG 4.4Å; R103-E117 IonicContact CZ-OE1 3.74Å; R103-E117 IonicContact CZ-OE2 3.69Å; R103-E117 VanDerWaalsContact CZ-OE2 3.26Å; R103-E117 IonicContact NH1-OE1 3.07Å; R103-E117 PolarHBondContact NH1-OE1 3.28Å; R103-E117 IonicContact NH1-OE2 2.67Å; R103-E117 PolarHBondContact NH1-OE2 2.8Å; R103-E117 IonicContact NH2-OE2 3.62Å; R103-E117 PolarHBondContact NH2-OE2 3.46Å; L113-E117 HydrophobicContact CB-CB 4.02Å; L113-E117 HydrophobicContact CD2-CB 4.28Å; A114-E117 HydrophobicContact CB-CG 4.24Å; A114-E117 PolarHBondContact N-OE2 3.49Å; A114-E117 WeakPolarHBondContact O-CA 3.12Å; A114-E117 WeakPolarHBondContact O-CB 3.47Å; A114-E117 PolarHBondContact O-N 2.89Å; D115-E117 VanDerWaalsContact C-N 3.29Å; D115-E117 PolarHBondContact O-N 3.33Å; E117-N120 WeakPolarHBondContact O-CB 3.43Å; E117-N120 PolarHBondContact O-N 3.5Å; E117-L121 WeakPolarHBondContact O-CB 3.44Å; E117-L121 PolarHBondContact O-N 3.43Å
118A97.6Very high95.1Very high45 Ų4568 Ų6837%0.37235%0.35SS..Hα-helixtrans-64.8-41.6174.800000111.6L113 A114 D115 L121 A122L113-A118 HydrophobicContact CB-CB 4.35Å; A114-A118 PolarHBondContact O-N 3.5Å; D115-A118 PolarHBondContact O-N 3.01Å; A118-L121 PolarHBondContact O-N 3.42Å; A118-A122 PolarHBondContact O-N 3Å
119E97.8Very high95.6Very high142 Ų14268.5 Ų68.566%0.66437%0.365SS*.Hα-helixtrans-62.5-44.5173.2-172.2-176.5171.800111.5D115 L121 A122 R123D115-E119 PolarHBondContact O-N 3.11Å; E119-L121 VanDerWaalsContact C-N 3.35Å; E119-L121 PolarHBondContact O-N 2.82Å; E119-A122 PolarHBondContact O-N 3.23Å; E119-R123 PolarHBondContact O-N 3.4Å
120N97.6Very high96.1Very high26 Ų2676.7 Ų76.714%0.13938%0.38CS..Hα-helixtrans-59.4-44.8174.4-84.8-42.8000111.9Y96 L100 Y116 E117 A122 R123 L124Y96-N120 HydrophobicContact CE1-CB 3.95Å; L100-N120 HydrophobicContact CD1-CB 4.22Å; Y116-N120 WeakPolarHBondContact O-CB 3.47Å; Y116-N120 VanDerWaalsContact O-CG 3.3Å; Y116-N120 PolarHBondContact O-N 2.98Å; Y116-N120 PolarHBondContact O-ND2 3.46Å; E117-N120 WeakPolarHBondContact O-CB 3.43Å; E117-N120 PolarHBondContact O-N 3.5Å; N120-A122 PolarHBondContact O-N 3.24Å; N120-R123 WeakPolarHBondContact O-CB 3.25Å; N120-R123 PolarHBondContact O-N 3.42Å; N120-R123 PolarHBondContact OD1-NH2 3.42Å; N120-L124 WeakPolarHBondContact O-CD1 3.27Å; N120-L124 WeakPolarHBondContact O-CG 3.49Å; N120-L124 PolarHBondContact O-N 2.65Å
121L98.1Very high96.5Very high15 Ų1578 Ų788%0.07939%0.389CS..Hα-helixtrans-59-47.5175.9-179.358.7000111.2L100 T104 L113 E117 A118 E119 R123 L124 Q125 W132L100-L121 HydrophobicContact CB-CB 4.39Å; L100-L121 HydrophobicContact CB-CD1 3.88Å; L100-L121 HydrophobicContact CD1-CB 3.99Å; T104-L121 HydrophobicContact CG2-CD2 3.81Å; L113-L121 HydrophobicContact CD1-CB 4.31Å; L113-L121 HydrophobicContact CD1-CD2 3.62Å; E117-L121 WeakPolarHBondContact O-CB 3.44Å; E117-L121 PolarHBondContact O-N 3.43Å; A118-L121 PolarHBondContact O-N 3.42Å; E119-L121 VanDerWaalsContact C-N 3.35Å; E119-L121 PolarHBondContact O-N 2.82Å; L121-R123 VanDerWaalsContact C-N 3.29Å; L121-R123 PolarHBondContact O-N 3.35Å; L121-L124 PolarHBondContact O-N 2.77Å; L121-L124 VanDerWaalsContact O-N 3.15Å; L121-Q125 HydrophobicContact CD1-CG 4.36Å; L121-Q125 WeakPolarHBondContact O-CB 3.29Å; L121-Q125 WeakPolarHBondContact O-CG 3.2Å; L121-Q125 PolarHBondContact O-N 3.28Å; L121-W132 HydrophobicContact CD1-CH2 3.56Å; L121-W132 HydrophobicContact CD1-CZ2 4.32Å; L121-W132 HydrophobicContact CD1-CZ3 4.43Å
122A98.2Very high96.9Very high41 Ų4179.9 Ų79.934%0.33940%0.395SS..Hα-helixtrans-61.2-37.517800000112.3A118 E119 N120 R126A118-A122 PolarHBondContact O-N 3Å; E119-A122 PolarHBondContact O-N 3.23Å; N120-A122 PolarHBondContact O-N 3.24Å; A122-R126 PolarHBondContact O-N 3.23Å; A122-R126 PolarHBondContact O-NE 2.95Å
123R98.1Very high97.1Very high134 Ų13480.3 Ų80.351%0.50640%0.397SS..Hα-helixtrans-65.5-43.4173.6-177.4176.962.6161.4-3.7111.9E119 N120 L121 R126 A127E119-R123 PolarHBondContact O-N 3.4Å; N120-R123 WeakPolarHBondContact O-CB 3.25Å; N120-R123 PolarHBondContact O-N 3.42Å; N120-R123 PolarHBondContact OD1-NH2 3.42Å; L121-R123 VanDerWaalsContact C-N 3.29Å; L121-R123 PolarHBondContact O-N 3.35Å; R123-R126 PolarHBondContact O-N 2.63Å; R123-A127 WeakPolarHBondContact O-CB 3.24Å; R123-A127 PolarHBondContact O-N 3.06Å
124L98.1Very high97.1Very high5 Ų584.9 Ų84.93%0.02642%0.416CS..Hα-helixtrans-68.7-38.4179.6-67.3164.6000112N93 Y96 A97 L100 N120 L121 R126 A127 F128N93-L124 HydrophobicContact CB-CD2 3.82Å; Y96-L124 HydrophobicContact CD1-CD1 3.75Å; Y96-L124 HydrophobicContact CE1-CD1 4.37Å; Y96-L124 HydrophobicContact CG-CD1 4.46Å; A97-L124 HydrophobicContact CB-CB 4.18Å; A97-L124 HydrophobicContact CB-CD1 4.11Å; L100-L124 HydrophobicContact CD1-CD1 4.06Å; N120-L124 WeakPolarHBondContact O-CD1 3.27Å; N120-L124 WeakPolarHBondContact O-CG 3.49Å; N120-L124 PolarHBondContact O-N 2.65Å; L121-L124 PolarHBondContact O-N 2.77Å; L121-L124 VanDerWaalsContact O-N 3.15Å; L124-R126 VanDerWaalsContact C-N 3.31Å; L124-R126 PolarHBondContact O-N 2.84Å; L124-A127 PolarHBondContact O-N 3.26Å; L124-F128 HydrophobicContact CB-CD2 4.3Å; L124-F128 HydrophobicContact CD2-CD2 4.27Å; L124-F128 HydrophobicContact CD2-CE2 3.72Å; L124-F128 WeakPolarHBondContact O-CB 3.4Å; L124-F128 WeakPolarHBondContact O-CD2 3.11Å; L124-F128 PolarHBondContact O-N 3.41Å
125Q97.9Very high97.1Very high82 Ų8283.6 Ų83.638%0.38340%0.404SS..Hα-helixtrans-58.2-43.4172.8-78.5176.3-20.500111.8L121 A129 W132L121-Q125 HydrophobicContact CD1-CG 4.36Å; L121-Q125 WeakPolarHBondContact O-CB 3.29Å; L121-Q125 WeakPolarHBondContact O-CG 3.2Å; L121-Q125 PolarHBondContact O-N 3.28Å; Q125-A129 VanDerWaalsContact O-CA 3.29Å; Q125-A129 WeakPolarHBondContact O-CA 3.4Å; Q125-A129 PolarHBondContact O-N 3.02Å; Q125-W132 HydrophobicContact CB-CE3 4.34Å; Q125-W132 HydrophobicContact CB-CZ3 4.29Å; Q125-W132 HydrophobicContact CG-CD2 3.96Å; Q125-W132 HydrophobicContact CG-CE3 3.76Å; Q125-W132 HydrophobicContact CG-CH2 3.36Å; Q125-W132 HydrophobicContact CG-CZ2 3.53Å; Q125-W132 HydrophobicContact CG-CZ3 3.45Å; Q125-W132 VanDerWaalsContact CG-CZ3 3.45Å; Q125-W132 VanDerWaalsContact NE2-CZ2 3.34Å
126R97.8Very high97.1Very high179 Ų17981 Ų8168%0.67539%0.386SS*.Hα-helixtrans-64.5-46.2173.8-74.7-178-77.4120.2-9.9111.9A122 R123 L124 F128A122-R126 PolarHBondContact O-N 3.23Å; A122-R126 PolarHBondContact O-NE 2.95Å; R123-R126 PolarHBondContact O-N 2.63Å; L124-R126 VanDerWaalsContact C-N 3.31Å; L124-R126 PolarHBondContact O-N 2.84Å; R126-F128 VanDerWaalsContact C-N 3.34Å; R126-F128 PolarHBondContact O-N 3.01Å
127A97.3Very high97.1Very high73 Ų7384.8 Ų84.860%0.60341%0.406SS*.Hα-helixtrans-65.7-34.7-178.800000113.2R123 L124R123-A127 WeakPolarHBondContact O-CB 3.24Å; R123-A127 PolarHBondContact O-N 3.06Å; L124-A127 PolarHBondContact O-N 3.26Å
128F97.3Very high97Very high45 Ų4589.6 Ų89.620%0.19743%0.429CS..THydrogen-bonded Turntrans-111.623.3-175.5-59.1-52.7000113.9N93 A97 L124 R126 R130 K131 W132 I135N93-F128 HydrophobicContact CB-CE2 3.94Å; N93-F128 HydrophobicContact CB-CZ 3.82Å; A97-F128 HydrophobicContact CB-CD2 4.34Å; L124-F128 HydrophobicContact CB-CD2 4.3Å; L124-F128 HydrophobicContact CD2-CD2 4.27Å; L124-F128 HydrophobicContact CD2-CE2 3.72Å; L124-F128 WeakPolarHBondContact O-CB 3.4Å; L124-F128 WeakPolarHBondContact O-CD2 3.11Å; L124-F128 PolarHBondContact O-N 3.41Å; R126-F128 VanDerWaalsContact C-N 3.34Å; R126-F128 PolarHBondContact O-N 3.01Å; F128-R130 PolarHBondContact O-N 2.9Å; F128-K131 CarbonylContact O-C 3.38Å; F128-K131 WeakPolarHBondContact O-CA 3.38Å; F128-K131 PolarHBondContact O-N 3.47Å; F128-W132 PolarHBondContact O-N 3.28Å; F128-I135 HydrophobicContact CB-CD1 3.72Å; F128-I135 HydrophobicContact CD2-CD1 3.96Å; F128-I135 HydrophobicContact CG-CD1 4.02Å
129A96.9Very high96.9Very high70 Ų7087.5 Ų87.558%0.57941%0.411SS*.G310 helixtrans-49.3-41.4-173.800000113.8Q125 K131Q125-A129 VanDerWaalsContact O-CA 3.29Å; Q125-A129 WeakPolarHBondContact O-CA 3.4Å; Q125-A129 PolarHBondContact O-N 3.02Å; A129-K131 VanDerWaalsContact C-N 3.34Å; A129-K131 PolarHBondContact O-N 3.2Å
130R95.8Very high96.8Very high246 Ų24684.2 Ų84.293%0.92840%0.396SS*.G310 helixtrans-73.6-20.3179.2-65.4-176.6178.5174.4-0.6114.7F128F128-R130 PolarHBondContact O-N 2.9Å
131K94.5Very high96.7Very high140 Ų14085.3 Ų85.361%0.60941%0.408SS*.G310 helixtrans-109.83.9-179.4-64.5-175.1178.9-177.30112.3F128 A129 E133 F134 I135F128-K131 CarbonylContact O-C 3.38Å; F128-K131 WeakPolarHBondContact O-CA 3.38Å; F128-K131 PolarHBondContact O-N 3.47Å; A129-K131 VanDerWaalsContact C-N 3.34Å; A129-K131 PolarHBondContact O-N 3.2Å; K131-E133 VanDerWaalsContact C-N 3.29Å; K131-E133 PolarHBondContact O-N 3.41Å; K131-F134 WeakPolarHBondContact O-CB 3.38Å; K131-F134 PolarHBondContact O-N 2.99Å; K131-F134 VanDerWaalsContact O-N 3.1Å; K131-I135 PolarHBondContact O-N 3.45Å
132W96.9Very high96.5Very high52 Ų5286.7 Ų86.720%0.19741%0.414CS..Hα-helixtrans-61.5-36.9-171.4-171.5-103.3000112.7A97 C101 L121 Q125 F128 F134 I135 F136A97-W132 HydrophobicContact CB-CZ3 4.32Å; C101-W132 HydrophobicContact CB-CH2 4.35Å; C101-W132 HydrophobicContact CB-CZ2 4.4Å; L121-W132 HydrophobicContact CD1-CH2 3.56Å; L121-W132 HydrophobicContact CD1-CZ2 4.32Å; L121-W132 HydrophobicContact CD1-CZ3 4.43Å; Q125-W132 HydrophobicContact CB-CE3 4.34Å; Q125-W132 HydrophobicContact CB-CZ3 4.29Å; Q125-W132 HydrophobicContact CG-CD2 3.96Å; Q125-W132 HydrophobicContact CG-CE3 3.76Å; Q125-W132 HydrophobicContact CG-CH2 3.36Å; Q125-W132 HydrophobicContact CG-CZ2 3.53Å; Q125-W132 HydrophobicContact CG-CZ3 3.45Å; Q125-W132 VanDerWaalsContact CG-CZ3 3.45Å; Q125-W132 VanDerWaalsContact NE2-CZ2 3.34Å; F128-W132 PolarHBondContact O-N 3.28Å; W132-F134 VanDerWaalsContact C-N 3.3Å; W132-F134 PolarHBondContact O-N 3.45Å; W132-I135 HydrophobicContact CE3-CB 4.48Å; W132-I135 HydrophobicContact CE3-CD1 4.08Å; W132-I135 HydrophobicContact CE3-CG2 4.4Å; W132-I135 HydrophobicContact CH2-CG2 4.33Å; W132-I135 HydrophobicContact CZ3-CD1 4.3Å; W132-I135 HydrophobicContact CZ3-CG2 4.11Å; W132-I135 WeakPolarHBondContact O-CB 3.32Å; W132-I135 PolarHBondContact O-N 3.25Å; W132-F136 WeakPolarHBondContact O-CB 3.44Å; W132-F136 PolarHBondContact O-N 2.9Å
133E96.4Very high96.2Very high147 Ų14785.2 Ų85.269%0.68740%0.401SS*.Hα-helixtrans-59.4-39.8176.5-171.1174.3-173.900112.3K131 F136 M137K131-E133 VanDerWaalsContact C-N 3.29Å; K131-E133 PolarHBondContact O-N 3.41Å; E133-F136 PolarHBondContact O-N 3.24Å; E133-M137 WeakPolarHBondContact O-CB 3.39Å; E133-M137 PolarHBondContact O-N 3.25Å
134F95.6Very high96Very high133 Ų13384.1 Ų84.158%0.58340%0.4SS*.Hα-helixtrans-67.6-41.3175.4-62.8-72.6000112.2K131 W132 F136 M137 Q138K131-F134 WeakPolarHBondContact O-CB 3.38Å; K131-F134 PolarHBondContact O-N 2.99Å; K131-F134 VanDerWaalsContact O-N 3.1Å; W132-F134 VanDerWaalsContact C-N 3.3Å; W132-F134 PolarHBondContact O-N 3.45Å; F134-F136 VanDerWaalsContact C-N 3.33Å; F134-F136 PolarHBondContact O-N 3.39Å; F134-M137 PolarHBondContact O-N 2.76Å; F134-Q138 WeakPolarHBondContact O-CG 3.25Å; F134-Q138 PolarHBondContact O-N 2.71Å
135I96.1Very high95.7Very high3 Ų387.9 Ų87.92%0.01542%0.419CS..Hα-helixtrans-60.7-45.5175.6-67.6171.2000110T94 A97 I98 C101 F128 K131 W132 Q138 A139T94-I135 HydrophobicContact CG2-CG1 4.31Å; A97-I135 HydrophobicContact CB-CD1 4.06Å; A97-I135 HydrophobicContact CB-CG2 4.03Å; I98-I135 HydrophobicContact CG1-CG2 3.97Å; C101-I135 HydrophobicContact CB-CG2 4.49Å; F128-I135 HydrophobicContact CB-CD1 3.72Å; F128-I135 HydrophobicContact CD2-CD1 3.96Å; F128-I135 HydrophobicContact CG-CD1 4.02Å; K131-I135 PolarHBondContact O-N 3.45Å; W132-I135 HydrophobicContact CE3-CB 4.48Å; W132-I135 HydrophobicContact CE3-CD1 4.08Å; W132-I135 HydrophobicContact CE3-CG2 4.4Å; W132-I135 HydrophobicContact CH2-CG2 4.33Å; W132-I135 HydrophobicContact CZ3-CD1 4.3Å; W132-I135 HydrophobicContact CZ3-CG2 4.11Å; W132-I135 WeakPolarHBondContact O-CB 3.32Å; W132-I135 PolarHBondContact O-N 3.25Å; I135-Q138 PolarHBondContact O-N 2.9Å; I135-A139 WeakPolarHBondContact O-CB 3.46Å; I135-A139 PolarHBondContact O-N 3.49Å
136F97.1Very high95.4Very high94 Ų9484.6 Ų84.641%0.41240%0.404SS..Hα-helixtrans-62.3-45.1177.4-175.7-91000111.7M105 W132 E133 F134 Q138 A139 E140M105-F136 HydrophobicContact CE-CD2 4.5Å; M105-F136 HydrophobicContact CE-CE1 4.14Å; M105-F136 HydrophobicContact CE-CE2 3.79Å; M105-F136 HydrophobicContact CE-CZ 3.58Å; M105-F136 HydrophobicContact CG-CE2 4.48Å; M105-F136 HydrophobicContact SD-CD2 4.45Å; M105-F136 HydrophobicContact SD-CE2 4.1Å; M105-F136 HydrophobicContact SD-CZ 4.48Å; W132-F136 WeakPolarHBondContact O-CB 3.44Å; W132-F136 PolarHBondContact O-N 2.9Å; E133-F136 PolarHBondContact O-N 3.24Å; F134-F136 VanDerWaalsContact C-N 3.33Å; F134-F136 PolarHBondContact O-N 3.39Å; F136-Q138 PolarHBondContact O-N 2.94Å; F136-A139 PolarHBondContact O-N 2.76Å; F136-E140 WeakPolarHBondContact O-CB 3.25Å; F136-E140 PolarHBondContact O-N 3.09Å
137M95.8Very high95Very high108 Ų10883.9 Ų83.953%0.53240%0.402SS..Hα-helixtrans-62.1-41.8178.2-168.1-174.6-60.700112.1E133 F134 E140 A141E133-M137 WeakPolarHBondContact O-CB 3.39Å; E133-M137 PolarHBondContact O-N 3.25Å; F134-M137 PolarHBondContact O-N 2.76Å; M137-E140 PolarHBondContact O-N 3.3Å; M137-A141 WeakPolarHBondContact O-CB 3.41Å; M137-A141 PolarHBondContact O-N 2.65Å
138Q95.9Very high94.8Very high102 Ų10289.1 Ų89.148%0.47741%0.411SS..Hα-helixtrans-65.9-43.7175.1-75.7-173.9-32.200112.1I98 F134 I135 F136 E140 A141 Q142I98-Q138 HydrophobicContact CD1-CB 4.25Å; I98-Q138 HydrophobicContact CG1-CB 4.37Å; F134-Q138 WeakPolarHBondContact O-CG 3.25Å; F134-Q138 PolarHBondContact O-N 2.71Å; I135-Q138 PolarHBondContact O-N 2.9Å; F136-Q138 PolarHBondContact O-N 2.94Å; Q138-E140 VanDerWaalsContact C-N 3.33Å; Q138-E140 PolarHBondContact O-N 3.39Å; Q138-A141 PolarHBondContact O-N 2.99Å; Q138-Q142 PolarHBondContact O-N 3.42Å
139A95.8Very high94.6Very high0 Ų090.3 Ų90.30%042%0.416CS..Hα-helixtrans-59.7-44.1174.900000111.4I98 C101 K102 M105 I135 F136 A141 Q142 V143I98-A139 HydrophobicContact CG2-CB 4.23Å; C101-A139 HydrophobicContact CB-CB 3.93Å; K102-A139 HydrophobicContact CB-CB 4.16Å; M105-A139 HydrophobicContact SD-CB 4.02Å; I135-A139 WeakPolarHBondContact O-CB 3.46Å; I135-A139 PolarHBondContact O-N 3.49Å; F136-A139 PolarHBondContact O-N 2.76Å; A139-A141 PolarHBondContact O-N 3.16Å; A139-Q142 PolarHBondContact O-N 2.82Å; A139-V143 WeakPolarHBondContact O-CG2 3.5Å; A139-V143 PolarHBondContact O-N 3.25Å
140E95.8Very high94.5Very high74 Ų7491.1 Ų91.135%0.34641%0.41SS..Hα-helixtrans-61.8-44.6177.2-161.4-164.5-148.500112.1M105 F136 M137 Q138 Q142 V143 K144M105-E140 HydrophobicContact CE-CB 3.74Å; M105-E140 HydrophobicContact CE-CG 3.75Å; F136-E140 WeakPolarHBondContact O-CB 3.25Å; F136-E140 PolarHBondContact O-N 3.09Å; M137-E140 PolarHBondContact O-N 3.3Å; Q138-E140 VanDerWaalsContact C-N 3.33Å; Q138-E140 PolarHBondContact O-N 3.39Å; E140-Q142 VanDerWaalsContact C-N 3.3Å; E140-Q142 PolarHBondContact O-N 3.23Å; E140-V143 PolarHBondContact O-N 2.89Å; E140-K144 VanDerWaalsContact CD-NZ 3.3Å; E140-K144 WeakPolarHBondContact O-CG 3.36Å; E140-K144 PolarHBondContact O-N 3.5Å; E140-K144 IonicContact OE1-NZ 3.28Å; E140-K144 IonicContact OE2-NZ 3.71Å; E140-K144 PolarHBondContact OE2-NZ 3.3Å
141A95.5Very high94.2Very high48 Ų4886.3 Ų86.340%0.39740%0.396SS..Hα-helixtrans-58.7-43.117600000111.2M137 Q138 A139 K144 I145M137-A141 WeakPolarHBondContact O-CB 3.41Å; M137-A141 PolarHBondContact O-N 2.65Å; Q138-A141 PolarHBondContact O-N 2.99Å; A139-A141 PolarHBondContact O-N 3.16Å; A141-K144 WeakPolarHBondContact O-CB 3.33Å; A141-K144 PolarHBondContact O-N 3.37Å; A141-I145 WeakPolarHBondContact O-CG1 3.36Å; A141-I145 PolarHBondContact O-N 3.01Å; A141-I145 VanDerWaalsContact O-N 3.08Å
142Q93.3Very high93.9Very high45 Ų4582.8 Ų82.821%0.2139%0.387CS..Hα-helixtrans-65.8-41.1176.2-166.86047.700112.1K102 Q138 A139 E140 K144 I145 D146K102-Q142 HydrophobicContact CD-CB 3.8Å; K102-Q142 HydrophobicContact CD-CG 3.48Å; K102-Q142 VanDerWaalsContact CD-CG 3.48Å; Q138-Q142 PolarHBondContact O-N 3.42Å; A139-Q142 PolarHBondContact O-N 2.82Å; E140-Q142 VanDerWaalsContact C-N 3.3Å; E140-Q142 PolarHBondContact O-N 3.23Å; Q142-K144 VanDerWaalsContact C-N 3.28Å; Q142-K144 PolarHBondContact O-N 2.94Å; Q142-I145 PolarHBondContact O-N 3.05Å; Q142-I145 VanDerWaalsContact O-N 3.16Å; Q142-D146 PolarHBondContact NE2-OD1 3.12Å; Q142-D146 WeakPolarHBondContact O-CB 3.31Å; Q142-D146 PolarHBondContact O-N 3.45Å
143V93.4Very high93.6Very high9 Ų983.8 Ų83.86%0.05539%0.393CS..Hα-helixtrans-58.2-41.1173.2174.30000111.2K102 M105 Q106 A139 E140 I145 D146 R147K102-V143 HydrophobicContact CG-CG2 3.58Å; M105-V143 HydrophobicContact CB-CG2 4.21Å; M105-V143 HydrophobicContact SD-CG2 4.47Å; Q106-V143 HydrophobicContact CG-CG2 4.5Å; A139-V143 WeakPolarHBondContact O-CG2 3.5Å; A139-V143 PolarHBondContact O-N 3.25Å; E140-V143 PolarHBondContact O-N 2.89Å; V143-I145 VanDerWaalsContact C-N 3.34Å; V143-D146 PolarHBondContact O-N 3.24Å; V143-R147 HydrophobicContact CG1-CG 4.32Å; V143-R147 WeakPolarHBondContact O-CB 3.33Å; V143-R147 VanDerWaalsContact O-CG 3.27Å; V143-R147 WeakPolarHBondContact O-CG 3.46Å; V143-R147 PolarHBondContact O-N 3.39Å
144K93.9Very high93.4Very high112 Ų11279.1 Ų79.149%0.48737%0.369SS..Hα-helixtrans-63.1-39.9177.6-71.7169.4-174.7161.90111.5E140 A141 Q142E140-K144 VanDerWaalsContact CD-NZ 3.3Å; E140-K144 WeakPolarHBondContact O-CG 3.36Å; E140-K144 PolarHBondContact O-N 3.5Å; E140-K144 IonicContact OE1-NZ 3.28Å; E140-K144 IonicContact OE2-NZ 3.71Å; E140-K144 PolarHBondContact OE2-NZ 3.3Å; A141-K144 WeakPolarHBondContact O-CB 3.33Å; A141-K144 PolarHBondContact O-N 3.37Å; Q142-K144 VanDerWaalsContact C-N 3.28Å; Q142-K144 PolarHBondContact O-N 2.94Å
145I91.8Very high93.2Very high83 Ų8376 Ų7643%0.42636%0.356SS..Hα-helixtrans-65.4-49.6174.4-65.8166.9000110.3A141 Q142 V143 R147 K148A141-I145 WeakPolarHBondContact O-CG1 3.36Å; A141-I145 PolarHBondContact O-N 3.01Å; A141-I145 VanDerWaalsContact O-N 3.08Å; Q142-I145 PolarHBondContact O-N 3.05Å; Q142-I145 VanDerWaalsContact O-N 3.16Å; V143-I145 VanDerWaalsContact C-N 3.34Å; I145-R147 PolarHBondContact O-N 3.22Å; I145-K148 WeakPolarHBondContact O-CB 3.46Å; I145-K148 PolarHBondContact O-N 2.84Å
146D90.3Very high93Very high13 Ų1377.6 Ų77.67%0.0736%0.364CS..Hα-helixtrans-62.3-31.2-177.6-65.3-10.4000111.7K102 Q142 V143 K148 K149 R154K102-D146 IonicContact NZ-OD2 3.23Å; K102-D146 PolarHBondContact NZ-OD2 3.01Å; Q142-D146 PolarHBondContact NE2-OD1 3.12Å; Q142-D146 WeakPolarHBondContact O-CB 3.31Å; Q142-D146 PolarHBondContact O-N 3.45Å; V143-D146 PolarHBondContact O-N 3.24Å; D146-K148 VanDerWaalsContact C-N 3.28Å; D146-K148 PolarHBondContact O-N 3.49Å; D146-K149 PolarHBondContact O-N 3.4Å; D146-R154 WeakPolarHBondContact O-CD 3.36Å
147R90.6Very high92.9Very high165 Ų16575.8 Ų75.862%0.62336%0.358SS*.THydrogen-bonded Turntrans-68-20.9175.4-78.2176.9-177.5-169.73.1114.3V143 I145 K149V143-R147 HydrophobicContact CG1-CG 4.32Å; V143-R147 WeakPolarHBondContact O-CB 3.33Å; V143-R147 VanDerWaalsContact O-CG 3.27Å; V143-R147 WeakPolarHBondContact O-CG 3.46Å; V143-R147 PolarHBondContact O-N 3.39Å; I145-R147 PolarHBondContact O-N 3.22Å; R147-K149 VanDerWaalsContact C-N 3.32Å
148K93.3Very high92.8Very high183 Ų18371 Ų7180%0.79634%0.335SS*.THydrogen-bonded Turntrans-77-20.2176.3-64.2178.1-179.2-179.30112.7I145 D146I145-K148 WeakPolarHBondContact O-CB 3.46Å; I145-K148 PolarHBondContact O-N 2.84Å; D146-K148 VanDerWaalsContact C-N 3.28Å; D146-K148 PolarHBondContact O-N 3.49Å
149K92.6Very high92.8Very high70 Ų7066.9 Ų66.930%0.30432%0.317SS..SBendtrans-78.6154.2178.1-64.3-178.7169.7-740111.4D146 R147 E153 R154 L157D146-K149 PolarHBondContact O-N 3.4Å; R147-K149 VanDerWaalsContact C-N 3.32Å; K149-E153 IonicContact NZ-OE1 2.87Å; K149-E153 PolarHBondContact NZ-OE1 3.11Å; K149-E153 IonicContact NZ-OE2 2.69Å; K149-R154 HydrophobicContact CB-CB 4.42Å; K149-L157 HydrophobicContact CD-CD1 3.36Å; K149-L157 VanDerWaalsContact CE-CD1 3.4Å
150D93.8Very high92.8Very high87 Ų8768 Ų6847%0.46532%0.323SS..  trans-67.5161.1176.984.780.5000111.5T152 E153 R154D150-T152 PolarHBondContact O-N 3.38Å; D150-T152 WeakPolarHBondContact OD1-CA 3.47Å; D150-T152 WeakPolarHBondContact OD1-CB 3.29Å; D150-T152 PolarHBondContact OD1-N 3.36Å; D150-T152 PolarHBondContact OD1-OG1 2.96Å; D150-E153 PolarHBondContact O-N 2.82Å; D150-E153 PolarHBondContact OD1-N 3.29Å; D150-E153 VanDerWaalsContact OD1-N 3.12Å; D150-E153 WeakPolarHBondContact OD2-CB 3.25Å; D150-R154 VanDerWaalsContact O-CB 3.26Å; D150-R154 WeakPolarHBondContact O-CB 3.11Å; D150-R154 PolarHBondContact O-N 3.17Å
151K89.7Confident92.9Very high144 Ų14465.3 Ų65.363%0.62631%0.31SS*.Hα-helixtrans-61-33.7-174.1-175.7178179.5178.10112.9K155K151-K155 WeakPolarHBondContact O-CG 3.35Å; K151-K155 PolarHBondContact O-N 3.39Å
152T89.1Confident93Very high67 Ų6764.2 Ų64.241%0.41130%0.296SS..Hα-helixtrans-76.8-51.4-177.1-50.20000109.9P22 D150 R154 K155 I156P22-T152 HydrophobicContact CB-CG2 3.99Å; P22-T152 HydrophobicContact CG-CG2 3.58Å; D150-T152 PolarHBondContact O-N 3.38Å; D150-T152 WeakPolarHBondContact OD1-CA 3.47Å; D150-T152 WeakPolarHBondContact OD1-CB 3.29Å; D150-T152 PolarHBondContact OD1-N 3.36Å; D150-T152 PolarHBondContact OD1-OG1 2.96Å; T152-R154 PolarHBondContact O-N 2.96Å; T152-K155 PolarHBondContact O-N 3.48Å; T152-I156 PolarHBondContact O-N 3.44Å
153E91Very high93.2Very high73 Ų7362.1 Ų62.134%0.34129%0.285SS..Hα-helixtrans-58-48.1177-173.8-166175.800111.2K149 D150 K155 I156 L157K149-E153 IonicContact NZ-OE1 2.87Å; K149-E153 PolarHBondContact NZ-OE1 3.11Å; K149-E153 IonicContact NZ-OE2 2.69Å; D150-E153 PolarHBondContact O-N 2.82Å; D150-E153 PolarHBondContact OD1-N 3.29Å; D150-E153 VanDerWaalsContact OD1-N 3.12Å; D150-E153 WeakPolarHBondContact OD2-CB 3.25Å; E153-K155 VanDerWaalsContact C-N 3.31Å; E153-K155 PolarHBondContact O-N 2.88Å; E153-I156 PolarHBondContact O-N 2.99Å; E153-L157 HydrophobicContact CG-CD1 3.98Å; E153-L157 HydrophobicContact CG-CG 4.49Å; E153-L157 PolarHBondContact O-N 3.44Å
154R92.1Very high93.4Very high48 Ų4861.7 Ų61.718%0.18128%0.283CS..Hα-helixtrans-57.4-41.5177.4179.4176.250.9-175.4-10.9112.6D146 K149 D150 T152 I156 L157 D158D146-R154 WeakPolarHBondContact O-CD 3.36Å; K149-R154 HydrophobicContact CB-CB 4.42Å; D150-R154 VanDerWaalsContact O-CB 3.26Å; D150-R154 WeakPolarHBondContact O-CB 3.11Å; D150-R154 PolarHBondContact O-N 3.17Å; T152-R154 PolarHBondContact O-N 2.96Å; R154-I156 VanDerWaalsContact C-N 3.27Å; R154-I156 PolarHBondContact O-N 3.22Å; R154-L157 PolarHBondContact O-N 3.06Å; R154-D158 WeakPolarHBondContact O-CB 3.2Å; R154-D158 PolarHBondContact O-N 3.5Å
155K90.8Very high93.6Very high69 Ų6956.4 Ų56.430%0.326%0.26SS..Hα-helixtrans-63.7-34.1177-82.7-177.7174.5-1660112.5K151 T152 E153 S159K151-K155 WeakPolarHBondContact O-CG 3.35Å; K151-K155 PolarHBondContact O-N 3.39Å; T152-K155 PolarHBondContact O-N 3.48Å; E153-K155 VanDerWaalsContact C-N 3.31Å; E153-K155 PolarHBondContact O-N 2.88Å; K155-S159 PolarHBondContact O-N 3.06Å; K155-S159 PolarHBondContact O-OG 3.32Å
156I92.4Very high93.9Very high35 Ų3552.7 Ų52.718%0.17924%0.241CC..Hα-helixtrans-71.2-50.1177.8-64.9170.5000109.8P22 T152 E153 R154 D158 S159 Q160P22-I156 HydrophobicContact CB-CD1 4.4Å; P22-I156 HydrophobicContact CG-CD1 3.86Å; P22-I156 HydrophobicContact CG-CG1 4.05Å; T152-I156 PolarHBondContact O-N 3.44Å; E153-I156 PolarHBondContact O-N 2.99Å; R154-I156 VanDerWaalsContact C-N 3.27Å; R154-I156 PolarHBondContact O-N 3.22Å; I156-D158 PolarHBondContact O-N 3.25Å; I156-S159 PolarHBondContact O-N 2.95Å; I156-S159 VanDerWaalsContact O-N 3.13Å; I156-S159 PolarHBondContact O-OG 3.09Å; I156-Q160 HydrophobicContact CG2-CG 4.4Å; I156-Q160 WeakPolarHBondContact O-CG 3.32Å; I156-Q160 PolarHBondContact O-N 2.96Å
157L93.8Very high94.2Very high57 Ų5752.4 Ų52.430%0.29824%0.24SC..Hα-helixtrans-59.8-45.6178.8-70.1170.3000112.3K149 E153 R154 S159 Q160 E161K149-L157 HydrophobicContact CD-CD1 3.36Å; K149-L157 VanDerWaalsContact CE-CD1 3.4Å; E153-L157 HydrophobicContact CG-CD1 3.98Å; E153-L157 HydrophobicContact CG-CG 4.49Å; E153-L157 PolarHBondContact O-N 3.44Å; R154-L157 PolarHBondContact O-N 3.06Å; L157-S159 PolarHBondContact O-N 2.64Å; L157-Q160 PolarHBondContact O-N 3.29Å; L157-Q160 VanDerWaalsContact O-N 3.16Å; L157-E161 WeakPolarHBondContact O-CB 3.36Å; L157-E161 PolarHBondContact O-N 3.14Å
158D93.9Very high94.5Very high8 Ų845.3 Ų45.34%0.04321%0.214CC..Hα-helixtrans-55.5-40.7176.4-68.7-23.2000111.5R110 L111 R154 I156 R162R110-D158 IonicContact CZ-OD2 2.82Å; R110-D158 VanDerWaalsContact CZ-OD2 3.23Å; R110-D158 IonicContact NH1-OD2 2.69Å; R110-D158 PolarHBondContact NH1-OD2 2.75Å; R110-D158 IonicContact NH2-OD2 3.94Å; R110-D158 PolarHBondContact NH2-OD2 3.37Å; L111-D158 HydrophobicContact CD2-CB 4.21Å; R154-D158 WeakPolarHBondContact O-CB 3.2Å; R154-D158 PolarHBondContact O-N 3.5Å; I156-D158 PolarHBondContact O-N 3.25Å; D158-R162 WeakPolarHBondContact O-CB 3.47Å; D158-R162 PolarHBondContact O-N 2.74Å
159S95.4Very high94.7Very high15 Ų1539.1 Ų39.111%0.10519%0.185CC..Hα-helixtrans-75.3-33.1-179.571.90000113.4F60 R77 K155 I156 L157 A163F60-S159 WeakPolarHBondContact CE2-O 3.47Å; R77-S159 PolarHBondContact NH1-OG 3.49Å; K155-S159 PolarHBondContact O-N 3.06Å; K155-S159 PolarHBondContact O-OG 3.32Å; I156-S159 PolarHBondContact O-N 2.95Å; I156-S159 VanDerWaalsContact O-N 3.13Å; I156-S159 PolarHBondContact O-OG 3.09Å; L157-S159 PolarHBondContact O-N 2.64Å; S159-A163 WeakPolarHBondContact O-CB 3.29Å; S159-A163 PolarHBondContact O-N 3.39Å
160Q97Very high94.9Very high24 Ų2437.4 Ų37.411%0.11218%0.181CC..Hα-helixtrans-69.6-42.7176.8-78.1178.6-31.900110.6F60 Q79 F83 I156 L157 A163 F164F60-Q160 HydrophobicContact CE1-CG 4.11Å; F60-Q160 HydrophobicContact CZ-CB 4.44Å; F60-Q160 HydrophobicContact CZ-CG 3.82Å; Q79-Q160 PolarHBondContact NE2-O 3.22Å; Q79-Q160 VanDerWaalsContact OE1-CB 3.27Å; F83-Q160 HydrophobicContact CD2-CB 4.24Å; F83-Q160 HydrophobicContact CE2-CB 4.19Å; I156-Q160 HydrophobicContact CG2-CG 4.4Å; I156-Q160 WeakPolarHBondContact O-CG 3.32Å; I156-Q160 PolarHBondContact O-N 2.96Å; L157-Q160 PolarHBondContact O-N 3.29Å; L157-Q160 VanDerWaalsContact O-N 3.16Å; Q160-A163 PolarHBondContact O-N 3.38Å; Q160-F164 PolarHBondContact O-N 2.97Å
161E96.8Very high95Very high17 Ų1734.7 Ų34.78%0.07917%0.168CC..Hα-helixtrans-65.5-40.1173.9-170.9-176.6-155.100111.5F83 Y99 K102 L157 F164 W165 Y199F83-E161 HydrophobicContact CZ-CB 4.41Å; Y99-E161 HydrophobicContact CD2-CG 3.84Å; Y99-E161 HydrophobicContact CE2-CB 4.47Å; Y99-E161 HydrophobicContact CE2-CG 3.81Å; K102-E161 WeakPolarHBondContact CE-OE2 3.44Å; K102-E161 VanDerWaalsContact NZ-CD 3.25Å; K102-E161 IonicContact NZ-OE1 2.67Å; K102-E161 PolarHBondContact NZ-OE1 2.98Å; K102-E161 IonicContact NZ-OE2 2.7Å; K102-E161 PolarHBondContact NZ-OE2 3.48Å; L157-E161 WeakPolarHBondContact O-CB 3.36Å; L157-E161 PolarHBondContact O-N 3.14Å; E161-F164 WeakPolarHBondContact O-CB 3.44Å; E161-F164 PolarHBondContact O-N 3.31Å; E161-W165 PolarHBondContact O-N 3.11Å; E161-W165 VanDerWaalsContact O-N 3.16Å; E161-Y199 WeakPolarHBondContact OE1-CE1 3.46Å; E161-Y199 VanDerWaalsContact OE1-CZ 3.3Å; E161-Y199 PolarHBondContact OE1-OH 3.4Å
162R97.5Very high95.4Very high25 Ų2532.3 Ų32.39%0.09417%0.167CC..Hα-helixtrans-56.6-52.6170.7-179.3-173.161.383.5-14.9111.4P61 I62 D64 Y99 D158 F164 W165 D166P61-R162 PolarHBondContact O-NH2 2.92Å; I62-R162 VanDerWaalsContact C-NH2 3.29Å; I62-R162 PolarHBondContact O-NH2 3.26Å; D64-R162 PolarHBondContact O-NH1 3.19Å; D64-R162 PolarHBondContact O-NH2 3.28Å; Y99-R162 VanDerWaalsContact OH-CA 3.26Å; Y99-R162 WeakPolarHBondContact OH-CA 3.41Å; Y99-R162 WeakPolarHBondContact OH-CB 3.32Å; D158-R162 WeakPolarHBondContact O-CB 3.47Å; D158-R162 PolarHBondContact O-N 2.74Å; R162-F164 VanDerWaalsContact C-N 3.25Å; R162-F164 PolarHBondContact O-N 2.95Å; R162-W165 CarbonylContact O-C 3.55Å; R162-W165 WeakPolarHBondContact O-CA 3.29Å; R162-W165 PolarHBondContact O-N 3.08Å; R162-D166 IonicContact CZ-OD2 2.89Å; R162-D166 IonicContact NH1-OD2 3.59Å; R162-D166 PolarHBondContact NH1-OD2 2.8Å; R162-D166 PolarHBondContact O-N 3.25Å
163A98.1Very high95.7Very high0 Ų033.3 Ų33.30%019%0.191CC..Hα-helixtrans-62-32.3-179.200000113.3F60 S159 Q160 W165 D166 V167F60-A163 HydrophobicContact CB-CB 3.62Å; F60-A163 HydrophobicContact CD1-CB 3.34Å; F60-A163 HydrophobicContact CD2-CB 3.58Å; F60-A163 HydrophobicContact CE1-CB 3.78Å; F60-A163 HydrophobicContact CE2-CB 4Å; F60-A163 HydrophobicContact CG-CB 3.22Å; F60-A163 HydrophobicContact CZ-CB 4.09Å; S159-A163 WeakPolarHBondContact O-CB 3.29Å; S159-A163 PolarHBondContact O-N 3.39Å; Q160-A163 PolarHBondContact O-N 3.38Å; A163-W165 VanDerWaalsContact C-N 3.35Å; A163-D166 PolarHBondContact O-N 3.29Å; A163-V167 PolarHBondContact O-N 2.86Å
164F97.9Very high95.9Very high1 Ų132.2 Ų32.20%0.00419%0.191CC..Hα-helixtrans-60.6-44.9170.8168.9-92.9000111.5F83 W89 P91 Q160 E161 R162 V167 H168 V198F83-F164 HydrophobicContact CB-CB 4.21Å; F83-F164 HydrophobicContact CB-CD2 3.96Å; F83-F164 HydrophobicContact CB-CG 4.48Å; F83-F164 HydrophobicContact CD1-CB 3.79Å; F83-F164 HydrophobicContact CD1-CD1 4.42Å; F83-F164 AromaticContact CD1-CD2 3.44Å; F83-F164 HydrophobicContact CD1-CD2 3.44Å; F83-F164 VanDerWaalsContact CD1-CD2 3.44Å; F83-F164 HydrophobicContact CD1-CE2 4.08Å; F83-F164 AromaticContact CD1-CG 3.62Å; F83-F164 HydrophobicContact CD1-CG 3.62Å; F83-F164 HydrophobicContact CE1-CB 4.28Å; F83-F164 HydrophobicContact CE1-CD2 4.3Å; F83-F164 HydrophobicContact CE1-CG 4.12Å; F83-F164 HydrophobicContact CG-CB 3.99Å; F83-F164 HydrophobicContact CG-CD2 4.06Å; F83-F164 HydrophobicContact CG-CG 4.26Å; W89-F164 HydrophobicContact CB-CE2 4.13Å; W89-F164 HydrophobicContact CB-CZ 4.41Å; W89-F164 AromaticContact CD1-CE2 3.85Å; W89-F164 AromaticContact CD2-CE2 3.92Å; W89-F164 HydrophobicContact CD2-CE2 3.92Å; W89-F164 HydrophobicContact CD2-CZ 4.22Å; W89-F164 HydrophobicContact CE3-CZ 4.38Å; W89-F164 AromaticContact CG-CE2 3.72Å; W89-F164 HydrophobicContact CG-CE2 3.72Å; W89-F164 HydrophobicContact CG-CZ 4.25Å; P91-F164 HydrophobicContact CB-CE1 4.18Å; P91-F164 HydrophobicContact CB-CZ 4.01Å; P91-F164 HydrophobicContact CG-CE1 4.24Å; P91-F164 HydrophobicContact CG-CZ 3.94Å; Q160-F164 PolarHBondContact O-N 2.97Å; E161-F164 WeakPolarHBondContact O-CB 3.44Å; E161-F164 PolarHBondContact O-N 3.31Å; R162-F164 VanDerWaalsContact C-N 3.25Å; R162-F164 PolarHBondContact O-N 2.95Å; F164-V167 PolarHBondContact O-N 2.67Å; F164-H168 AromaticContact CD2-CE1 3.48Å; F164-H168 VanDerWaalsContact CD2-CE1 3.48Å; F164-H168 WeakPolarHBondContact CD2-CE1 3.16Å; F164-H168 AromaticContact CD2-ND1 3.62Å; F164-H168 AromaticContact CE1-ND1 3.85Å; F164-H168 AromaticContact CE2-CE1 3.11Å; F164-H168 WeakPolarHBondContact CE2-CE1 3.43Å; F164-H168 AromaticContact CE2-ND1 3.44Å; F164-H168 WeakPolarHBondContact CE2-ND1 3.44Å; F164-H168 AromaticContact CG-ND1 3.95Å; F164-H168 AromaticContact CZ-CE1 3.59Å; F164-H168 AromaticContact CZ-ND1 3.55Å; F164-H168 PolarHBondContact O-N 3.03Å; F164-H168 PolarHBondContact O-ND1 3.03Å; F164-V198 HydrophobicContact CE1-CG2 3.96Å; F164-V198 HydrophobicContact CZ-CG2 3.93Å
165W97.9Very high96.1Very high1 Ų135.9 Ų35.90%0.00422%0.218CC..Hα-helixtrans-72.3-30.9177.8-72.8114.5000113.1P91 D95 Y96 Y99 E161 R162 A163 V167 H168 R169 Y199P91-W165 HydrophobicContact CB-CH2 3.68Å; P91-W165 HydrophobicContact CB-CZ3 3.82Å; P91-W165 HydrophobicContact CG-CH2 4.37Å; P91-W165 HydrophobicContact CG-CZ3 4Å; D95-W165 HydrophobicContact CB-CH2 3.79Å; D95-W165 HydrophobicContact CB-CZ2 3.93Å; Y96-W165 AromaticContact CD2-CD2 3.57Å; Y96-W165 HydrophobicContact CD2-CD2 3.57Å; Y96-W165 AromaticContact CD2-CE3 3.43Å; Y96-W165 HydrophobicContact CD2-CE3 3.43Å; Y96-W165 VanDerWaalsContact CD2-CE3 3.43Å; Y96-W165 HydrophobicContact CD2-CG 4.09Å; Y96-W165 HydrophobicContact CD2-CH2 4.26Å; Y96-W165 HydrophobicContact CD2-CZ2 4.4Å; Y96-W165 AromaticContact CD2-CZ3 3.81Å; Y96-W165 HydrophobicContact CD2-CZ3 3.81Å; Y96-W165 HydrophobicContact CE2-CB 4.26Å; Y96-W165 HydrophobicContact CE2-CD2 4.16Å; Y96-W165 HydrophobicContact CE2-CE3 4.11Å; Y96-W165 HydrophobicContact CE2-CG 4.24Å; Y96-W165 HydrophobicContact CG-CE3 4.05Å; Y96-W165 HydrophobicContact CG-CH2 4.37Å; Y96-W165 AromaticContact CG-CZ3 3.97Å; Y96-W165 HydrophobicContact CG-CZ3 3.97Å; Y96-W165 VanDerWaalsContact N-CH2 3.32Å; Y99-W165 HydrophobicContact CD1-CB 4.38Å; Y99-W165 AromaticContact CD1-CD1 3.41Å; Y99-W165 VanDerWaalsContact CD1-CD1 3.41Å; Y99-W165 HydrophobicContact CD1-CD2 4.4Å; Y99-W165 AromaticContact CD1-CG 3.82Å; Y99-W165 HydrophobicContact CD1-CG 3.82Å; Y99-W165 AromaticContact CD1-NE1 3.76Å; Y99-W165 AromaticContact CD2-CD1 3.42Å; Y99-W165 VanDerWaalsContact CD2-CD1 3.42Å; Y99-W165 AromaticContact CD2-NE1 3.5Å; Y99-W165 HydrophobicContact CE1-CB 4.09Å; Y99-W165 AromaticContact CE1-CD1 3.62Å; Y99-W165 AromaticContact CE1-CG 3.96Å; Y99-W165 HydrophobicContact CE1-CG 3.96Å; Y99-W165 AromaticContact CE2-CD1 3.62Å; Y99-W165 AromaticContact CG-CD1 3.3Å; Y99-W165 HydrophobicContact CG-CG 4.12Å; Y99-W165 AromaticContact CG-NE1 3.25Å; Y99-W165 AromaticContact CZ-CD1 3.71Å; E161-W165 PolarHBondContact O-N 3.11Å; E161-W165 VanDerWaalsContact O-N 3.16Å; R162-W165 CarbonylContact O-C 3.55Å; R162-W165 WeakPolarHBondContact O-CA 3.29Å; R162-W165 PolarHBondContact O-N 3.08Å; A163-W165 VanDerWaalsContact C-N 3.35Å; W165-V167 PolarHBondContact O-N 3.42Å; W165-H168 HydrophobicContact CE3-CB 4.34Å; W165-H168 PolarHBondContact O-N 3.1Å; W165-R169 HydrophobicContact CE3-CG 3.83Å; W165-R169 HydrophobicContact CZ3-CG 4.12Å; W165-R169 CarbonylContact O-C 3.56Å; W165-R169 WeakPolarHBondContact O-CA 3.45Å; W165-R169 PolarHBondContact O-N 3.18Å; W165-Y199 HydrophobicContact CZ2-CE2 4.37Å; W165-Y199 PolarHBondContact NE1-OH 3.02Å
166D98.1Very high96.3Very high4 Ų434.6 Ų34.62%0.02121%0.214CC..Hα-helixtrans-63.1-25.1174.1-65-27.1000112.4H65 L67 R162 A163 P170H65-D166 IonicContact CE1-OD1 2.64Å; H65-D166 IonicContact CG-OD1 2.84Å; H65-D166 IonicContact ND1-OD1 2.67Å; H65-D166 PolarHBondContact ND1-OD1 3.29Å; H65-D166 IonicContact ND1-OD2 2.91Å; L67-D166 HydrophobicContact CD1-CB 3.86Å; L67-D166 HydrophobicContact CD2-CB 4Å; L67-D166 HydrophobicContact CG-CB 3.89Å; R162-D166 IonicContact CZ-OD2 2.89Å; R162-D166 IonicContact NH1-OD2 3.59Å; R162-D166 PolarHBondContact NH1-OD2 2.8Å; R162-D166 PolarHBondContact O-N 3.25Å; A163-D166 PolarHBondContact O-N 3.29Å; D166-P170 VanDerWaalsContact O-CA 3.24Å; D166-P170 WeakPolarHBondContact O-CA 3.48Å; D166-P170 WeakPolarHBondContact O-CB 3.5Å
167V97.4Very high96.5Very high8 Ų834.6 Ų34.65%0.04822%0.216CC..Hα-helixtrans-77-49.3170.4175.30000111.6L67 A163 F164 W165 T178L67-V167 HydrophobicContact CD1-CB 4.44Å; L67-V167 HydrophobicContact CD1-CG2 3.46Å; L67-V167 VanDerWaalsContact CD1-CG2 3.46Å; A163-V167 PolarHBondContact O-N 2.86Å; F164-V167 PolarHBondContact O-N 2.67Å; W165-V167 PolarHBondContact O-N 3.42Å; V167-T178 HydrophobicContact CG1-CG2 3.95Å
168H96Very high96.3Very high15 Ų1534.9 Ų34.97%0.06922%0.22CC..Hα-helixtrans-87.1-17.4-169.5-63.396.4000114.2P91 F164 W165P91-H168 HydrophobicContact CG-CB 3.69Å; F164-H168 AromaticContact CD2-CE1 3.48Å; F164-H168 VanDerWaalsContact CD2-CE1 3.48Å; F164-H168 WeakPolarHBondContact CD2-CE1 3.16Å; F164-H168 AromaticContact CD2-ND1 3.62Å; F164-H168 AromaticContact CE1-ND1 3.85Å; F164-H168 AromaticContact CE2-CE1 3.11Å; F164-H168 WeakPolarHBondContact CE2-CE1 3.43Å; F164-H168 AromaticContact CE2-ND1 3.44Å; F164-H168 WeakPolarHBondContact CE2-ND1 3.44Å; F164-H168 AromaticContact CG-ND1 3.95Å; F164-H168 AromaticContact CZ-CE1 3.59Å; F164-H168 AromaticContact CZ-ND1 3.55Å; F164-H168 PolarHBondContact O-N 3.03Å; F164-H168 PolarHBondContact O-ND1 3.03Å; W165-H168 HydrophobicContact CE3-CB 4.34Å; W165-H168 PolarHBondContact O-N 3.1Å
169R96.8Very high96.1Very high54 Ų5441.5 Ų41.520%0.20425%0.251CS..SBendtrans-139.863.9178.2-62.3-64.3-176.8-74.9-3.6107.8P91 N93 Y96 W165P91-R169 PolarHBondContact O-NH2 3.46Å; N93-R169 PolarHBondContact OD1-NH2 3.23Å; Y96-R169 HydrophobicContact CD1-CG 3.79Å; Y96-R169 HydrophobicContact CD2-CG 4.01Å; Y96-R169 HydrophobicContact CE1-CB 4.02Å; Y96-R169 HydrophobicContact CE1-CG 3.79Å; Y96-R169 HydrophobicContact CE2-CB 4.05Å; Y96-R169 HydrophobicContact CE2-CG 4.02Å; Y96-R169 HydrophobicContact CG-CG 3.92Å; W165-R169 HydrophobicContact CE3-CG 3.83Å; W165-R169 HydrophobicContact CZ3-CG 4.12Å; W165-R169 CarbonylContact O-C 3.56Å; W165-R169 WeakPolarHBondContact O-CA 3.45Å; W165-R169 PolarHBondContact O-N 3.18Å
170P97Very high95.6Very high33 Ų3346 Ų4621%0.21427%0.272CS..PPolyproline II helixtrans-64158.1-17128.2-36.1000112.3D166 C174 N176D166-P170 VanDerWaalsContact O-CA 3.24Å; D166-P170 WeakPolarHBondContact O-CA 3.48Å; D166-P170 WeakPolarHBondContact O-CB 3.5Å; P170-C174 HydrophobicContact CB-CB 4.19Å; P170-N176 HydrophobicContact CG-CB 4.12Å
171V97.3Very high95.1Very high30 Ų3047.9 Ų47.918%0.18228%0.282CS..PPolyproline II helixtrans-53.9135.4171.9-1770000109.3H65 V66 Y116 G173 C174H65-V171 HydrophobicContact CB-CG2 3.57Å; V66-V171 HydrophobicContact CG2-CB 4.44Å; V66-V171 HydrophobicContact CG2-CG2 4.19Å; Y116-V171 HydrophobicContact CE1-CG1 4.47Å; Y116-V171 HydrophobicContact CE1-CG2 4.01Å; V171-G173 PolarHBondContact O-N 3.14Å; V171-C174 VanDerWaalsContact O-CB 3.29Å; V171-C174 WeakPolarHBondContact O-CB 3.18Å; V171-C174 PolarHBondContact O-N 3.35Å
172P96.9Very high94.5Very high95 Ų9553.6 Ų53.662%0.61731%0.312SS*.THydrogen-bonded Turntrans-52.2131.4176.6-27.935.3000112.3Y116Y116-P172 HydrophobicContact CD2-CG 4.45Å; Y116-P172 HydrophobicContact CG-CG 4.31Å
173G95.3Very high93.8Very high88 Ų8860.3 Ų60.391%0.90734%0.337SS*.THydrogen-bonded Turntrans93.5-15.6-175.200000114.6V171V171-G173 PolarHBondContact O-N 3.14Å
174C96.4Very high92.9Very high50 Ų5065.6 Ų65.634%0.33836%0.36SS..SBendtrans-79.1149.1169.9-65.80000111.7P170 V171 N176P170-C174 HydrophobicContact CB-CB 4.19Å; V171-C174 VanDerWaalsContact O-CB 3.29Å; V171-C174 WeakPolarHBondContact O-CB 3.18Å; V171-C174 PolarHBondContact O-N 3.35Å; C174-N176 PolarHBondContact O-N 2.82Å
175V96Very high91.7Very high125 Ų12568.4 Ų68.476%0.75838%0.38SS*.  trans-66.7129.3174.1178.10000109.6T177V175-T177 PolarHBondContact O-N 3.02Å
176N95.3Very high90.3Very high41 Ų4178.8 Ų78.822%0.21942%0.419CS..  trans-81.8100.5173-177.2-0.7000110.3P170 C174 T178 E179P170-N176 HydrophobicContact CG-CB 4.12Å; C174-N176 PolarHBondContact O-N 2.82Å; N176-T178 PolarHBondContact O-N 2.91Å; N176-T178 VanDerWaalsContact O-N 3.16Å; N176-T178 WeakPolarHBondContact OD1-CB 3.5Å; N176-T178 PolarHBondContact OD1-N 3.48Å; N176-T178 VanDerWaalsContact OD1-N 3.14Å; N176-T178 PolarHBondContact OD1-OG1 3.19Å; N176-E179 HydrophobicContact CB-CG 4Å; N176-E179 WeakPolarHBondContact CB-OE1 3.43Å; N176-E179 PolarHBondContact ND2-OE1 3.3Å; N176-E179 PolarHBondContact O-N 2.84Å
177T94.8Very high88.8Confident35 Ų3587.5 Ų87.522%0.21545%0.451CS..THydrogen-bonded Turntrans-69.1-10.6-176.8530000114.1A55 V175A55-T177 HydrophobicContact CB-CG2 3.9Å; A55-T177 WeakPolarHBondContact O-CG2 3.35Å; A55-T177 PolarHBondContact O-OG1 3.29Å; V175-T177 PolarHBondContact O-N 3.02Å
178T91Very high87.1Confident63 Ų6391 Ų9139%0.38747%0.469SS..THydrogen-bonded Turntrans-84.9-10.4176.872.20000113.3V167 N176V167-T178 HydrophobicContact CG1-CG2 3.95Å; N176-T178 PolarHBondContact O-N 2.91Å; N176-T178 VanDerWaalsContact O-N 3.16Å; N176-T178 WeakPolarHBondContact OD1-CB 3.5Å; N176-T178 PolarHBondContact OD1-N 3.48Å; N176-T178 VanDerWaalsContact OD1-N 3.14Å; N176-T178 PolarHBondContact OD1-OG1 3.19Å
179E89.7Confident85.1Confident148 Ų14899.6 Ų99.669%0.69251%0.506SS*.  trans-71.1133177.6-71.2177.5-166.400111.7N176N176-E179 HydrophobicContact CB-CG 4Å; N176-E179 WeakPolarHBondContact CB-OE1 3.43Å; N176-E179 PolarHBondContact ND2-OE1 3.3Å; N176-E179 PolarHBondContact O-N 2.84Å
180M84.4Confident82.9Confident110 Ų110100.5 Ų100.554%0.54252%0.515SS..  trans-118.5140.4-177.9-65.6-170.971.600111.8I182 K184 L188M180-I182 PolarHBondContact O-N 3.48Å; M180-K184 HydrophobicContact CE-CB 4.28Å; M180-L188 HydrophobicContact CE-CD1 3.63Å
181D86.2Confident80.7Confident63 Ų63104.9 Ų104.934%0.33754%0.544SS..  trans-55.7131.2172.5179.9-53.6000110.5R183 K184 C185D181-R183 PolarHBondContact O-N 3.39Å; D181-R183 VanDerWaalsContact O-N 3.1Å; D181-R183 WeakPolarHBondContact OD1-CA 3.32Å; D181-R183 WeakPolarHBondContact OD1-CB 3.29Å; D181-R183 WeakPolarHBondContact OD1-CG 3.46Å; D181-R183 PolarHBondContact OD1-N 3.08Å; D181-R183 IonicContact OD1-NE 2.68Å; D181-R183 PolarHBondContact OD1-NE 3.47Å; D181-R183 IonicContact OD2-CZ 3.4Å; D181-R183 IonicContact OD2-NE 3.63Å; D181-R183 PolarHBondContact OD2-NE 2.85Å; D181-R183 IonicContact OD2-NH2 3.61Å; D181-R183 PolarHBondContact OD2-NH2 2.73Å; D181-K184 HydrophobicContact CB-CD 4.37Å; D181-K184 HydrophobicContact CB-CG 4.25Å; D181-K184 WeakPolarHBondContact O-CA 3.41Å; D181-K184 WeakPolarHBondContact O-CB 3.48Å; D181-K184 PolarHBondContact O-N 3.26Å; D181-C185 PolarHBondContact O-N 2.81Å
182I84.6Confident78.5Confident136 Ų136108.8 Ų108.870%0.69756%0.56SS**Hα-helixtrans-54.6-32.5-177.3-170.959.6000113.5M180 K184 C185 R186M180-I182 PolarHBondContact O-N 3.48Å; I182-K184 VanDerWaalsContact C-N 3.34Å; I182-C185 PolarHBondContact O-N 2.75Å; I182-R186 PolarHBondContact O-N 3.42Å
183R81.7Confident76.6Confident166 Ų166109.7 Ų109.763%0.62655%0.554SS**Hα-helixtrans-71.2-29.8176-58.6174.8-72.8-167.9-4.2111.7D181 R187D181-R183 PolarHBondContact O-N 3.39Å; D181-R183 VanDerWaalsContact O-N 3.1Å; D181-R183 WeakPolarHBondContact OD1-CA 3.32Å; D181-R183 WeakPolarHBondContact OD1-CB 3.29Å; D181-R183 WeakPolarHBondContact OD1-CG 3.46Å; D181-R183 PolarHBondContact OD1-N 3.08Å; D181-R183 IonicContact OD1-NE 2.68Å; D181-R183 PolarHBondContact OD1-NE 3.47Å; D181-R183 IonicContact OD2-CZ 3.4Å; D181-R183 IonicContact OD2-NE 3.63Å; D181-R183 PolarHBondContact OD2-NE 2.85Å; D181-R183 IonicContact OD2-NH2 3.61Å; D181-R183 PolarHBondContact OD2-NH2 2.73Å; R183-R187 WeakPolarHBondContact O-CG 3.33Å; R183-R187 PolarHBondContact O-N 3.23Å; R183-R187 PolarHBondContact O-NE 3.06Å; R183-R187 VanDerWaalsContact O-NE 3.11Å
184K79.6Confident74.5Confident112 Ų112107.8 Ų107.849%0.48753%0.525SS..Hα-helixtrans-72.2-44.7171.7-67.1-176.9179.3178.20109.7M180 D181 I182 R186 R187 L188M180-K184 HydrophobicContact CE-CB 4.28Å; D181-K184 HydrophobicContact CB-CD 4.37Å; D181-K184 HydrophobicContact CB-CG 4.25Å; D181-K184 WeakPolarHBondContact O-CA 3.41Å; D181-K184 WeakPolarHBondContact O-CB 3.48Å; D181-K184 PolarHBondContact O-N 3.26Å; I182-K184 VanDerWaalsContact C-N 3.34Å; K184-R186 VanDerWaalsContact C-N 3.29Å; K184-R186 PolarHBondContact O-N 3.08Å; K184-R187 PolarHBondContact O-N 3.39Å; K184-R187 VanDerWaalsContact O-N 3.16Å; K184-L188 HydrophobicContact CB-CD1 4.45Å; K184-L188 WeakPolarHBondContact O-CB 3.49Å; K184-L188 PolarHBondContact O-N 2.92Å
185C73.8Confident72.6Confident60 Ų60113.5 Ų113.541%0.40554%0.544SS..Hα-helixtrans-55.9-40.7176.3-62.20000113D181 I182 L188D181-C185 PolarHBondContact O-N 2.81Å; I182-C185 PolarHBondContact O-N 2.75Å; C185-L188 CarbonylContact O-C 3.56Å
186R67.9Low70.8Confident219 Ų219113.9 Ų113.983%0.82654%0.535SS*.Hα-helixtrans-71-35.7178.7-170179.9-179.7-147.51.3113.7I182 K184I182-R186 PolarHBondContact O-N 3.42Å; K184-R186 VanDerWaalsContact C-N 3.29Å; K184-R186 PolarHBondContact O-N 3.08Å
187R66.8Low69.4Low186 Ų186114.5 Ų114.570%0.70254%0.543SS*.Hα-helixtrans-74.9-37.8179.7-76.4-175.6-75.3174.7-4.4111.8R183 K184 K189R183-R187 WeakPolarHBondContact O-CG 3.33Å; R183-R187 PolarHBondContact O-N 3.23Å; R183-R187 PolarHBondContact O-NE 3.06Å; R183-R187 VanDerWaalsContact O-NE 3.11Å; K184-R187 PolarHBondContact O-N 3.39Å; K184-R187 VanDerWaalsContact O-N 3.16Å; R187-K189 PolarHBondContact O-N 3.08Å
188L61.9Low68.4Low82 Ų82113.5 Ų113.543%0.42954%0.537SS..  trans-74.568168.8-74.2153.3000109.3M180 K184 C185 N190M180-L188 HydrophobicContact CE-CD1 3.63Å; K184-L188 HydrophobicContact CB-CD1 4.45Å; K184-L188 WeakPolarHBondContact O-CB 3.49Å; K184-L188 PolarHBondContact O-N 2.92Å; C185-L188 CarbonylContact O-C 3.56Å; L188-N190 HydrophobicContact CB-CB 4.25Å; L188-N190 HydrophobicContact CD2-CB 4.45Å; L188-N190 PolarHBondContact O-N 3.08Å
189K54Low67.4Low195 Ų195112.3 Ų112.385%0.84853%0.526SS*.  trans-65.173.9156-75.1-173.2177.2-176.60107R187 P191R187-K189 PolarHBondContact O-N 3.08Å; K189-P191 WeakPolarHBondContact O-CD 3.47Å
190N50.2Low66Low73 Ų73107.2 Ų107.239%0.3951%0.512SS..  trans-99.4107.4-164.7-149.612000110.2L188 Q192L188-N190 HydrophobicContact CB-CB 4.25Å; L188-N190 HydrophobicContact CD2-CB 4.45Å; L188-N190 PolarHBondContact O-N 3.08Å; N190-Q192 PolarHBondContact O-N 2.89Å
191P50.7Low64Low125 Ų125109 Ų10981%0.81253%0.53SS*.THydrogen-bonded Turntrans-75.5-0.4178.429.1-33.6000114.1K189K189-P191 WeakPolarHBondContact O-CD 3.47Å
192Q51Low61.9Low112 Ų112112 Ų11252%0.52355%0.55SS.*THydrogen-bonded Turntrans-111.737.9-177.4-62-170.5-7.300113.3N190 V194N190-Q192 PolarHBondContact O-N 2.89Å; Q192-V194 PolarHBondContact O-N 2.74Å
193K56.6Low59.6Low115 Ų115113.7 Ų113.750%0.556%0.555SS.*  trans-70.1114.4166.6-70.7-179.3167.7-125.70108.6E90 K195E90-K193 IonicContact OE1-NZ 2.76Å; E90-K193 PolarHBondContact OE1-NZ 3.05Å; E90-K193 IonicContact OE2-NZ 2.71Å; K193-K195 VanDerWaalsContact C-N 3.34Å; K193-K195 PolarHBondContact O-N 3.37Å
194V51.6Low57.3Low48 Ų48115.1 Ų115.129%0.29157%0.569SS.*BIsolated β-bridgetrans-78.788.7179-177.30000108.2Q192 K196Q192-V194 PolarHBondContact O-N 2.74Å; V194-K196 HydrophobicContact CG1-CB 3.65Å; V194-K196 HydrophobicContact CG1-CD 3.36Å; V194-K196 HydrophobicContact CG1-CG 3.32Å; V194-K196 PolarHBondContact O-N 3.1Å
195K56.2Low55.3Low170 Ų170114 Ų11474%0.73958%0.575SS**  trans-74.856.6165-64.6-173.9178.8-174.90110.2K193K193-K195 VanDerWaalsContact C-N 3.34Å; K193-K195 PolarHBondContact O-N 3.37Å
196K59Low53.4Low132 Ų132119 Ų11957%0.57459%0.592SS**  trans-91.7126172.4-74.9176.8-170.9-178.60108.1V194V194-K196 HydrophobicContact CG1-CB 3.65Å; V194-K196 HydrophobicContact CG1-CD 3.36Å; V194-K196 HydrophobicContact CG1-CG 3.32Å; V194-K196 PolarHBondContact O-N 3.1Å
197S65.5Low51.9Low55 Ų55113.7 Ų113.739%0.38560%0.596SS.*  trans-62.5136.6167.8167.60000109D95 Y199 G200D95-S197 PolarHBondContact OD1-OG 3.28Å; S197-Y199 PolarHBondContact O-N 3.44Å; S197-Y199 PolarHBondContact OG-N 3.28Å; S197-G200 PolarHBondContact O-N 3.24Å; S197-G200 PolarHBondContact OG-N 3.34Å
198V73.2Confident50.4Low14 Ų14111.5 Ų111.59%0.08559%0.594CS.*THydrogen-bonded Turntrans-61.1-27.6177.2-1790000111.1W89 P91 D95 F164W89-V198 HydrophobicContact CE3-CG2 4.29Å; W89-V198 HydrophobicContact CZ3-CG2 4.02Å; P91-V198 HydrophobicContact CB-CG2 4.05Å; D95-V198 HydrophobicContact CB-CB 4.32Å; D95-V198 HydrophobicContact CB-CG2 4.29Å; D95-V198 PolarHBondContact OD1-N 2.85Å; F164-V198 HydrophobicContact CE1-CG2 3.96Å; F164-V198 HydrophobicContact CZ-CG2 3.93Å
199Y71.1Confident49.1Very low38 Ų38111.3 Ų111.315%0.14960%0.599CS.*THydrogen-bonded Turntrans-114.39.8-177.3-55.2-72.8000113.6D95 I98 Y99 E161 W165 S197D95-Y199 HydrophobicContact CB-CD2 4.03Å; D95-Y199 HydrophobicContact CB-CE2 4.03Å; D95-Y199 VanDerWaalsContact O-CE2 3.25Å; D95-Y199 WeakPolarHBondContact O-CE2 3.38Å; I98-Y199 HydrophobicContact CB-CD2 4.11Å; I98-Y199 HydrophobicContact CB-CE2 4.17Å; I98-Y199 HydrophobicContact CD1-CD2 4.08Å; I98-Y199 HydrophobicContact CG2-CD2 4.01Å; I98-Y199 HydrophobicContact CG2-CE2 4.18Å; I98-Y199 HydrophobicContact CG2-CG 4.19Å; Y99-Y199 WeakPolarHBondContact CB-OH 3.21Å; E161-Y199 WeakPolarHBondContact OE1-CE1 3.46Å; E161-Y199 VanDerWaalsContact OE1-CZ 3.3Å; E161-Y199 PolarHBondContact OE1-OH 3.4Å; W165-Y199 HydrophobicContact CZ2-CE2 4.37Å; W165-Y199 PolarHBondContact NE1-OH 3.02Å; S197-Y199 PolarHBondContact O-N 3.44Å; S197-Y199 PolarHBondContact OG-N 3.28Å
200G59.5Low48.6Very low40 Ų40105.6 Ų105.641%0.41258%0.582SS.*SBendtrans-68.1147.5176.600000111.9S197 T202S197-G200 PolarHBondContact O-N 3.24Å; S197-G200 PolarHBondContact OG-N 3.34Å; G200-T202 PolarHBondContact O-N 3.12Å
201V43Very low47.9Very low149 Ų149107.8 Ų107.890%0.90360%0.597SS**  trans-64.3120171.7-1790000108.3E203V201-E203 PolarHBondContact O-N 2.69Å; V201-E203 VanDerWaalsContact O-N 3.16Å
202T42.1Very low47.4Very low126 Ų126109.7 Ų109.777%0.77360%0.595SS**  trans-66.7108.2177.7-17.60000109.3G200 E204G200-T202 PolarHBondContact O-N 3.12Å; T202-E204 PolarHBondContact O-N 3.4Å
203E35.4Very low46.8Very low171 Ų171110.2 Ų110.280%0.79961%0.606SS**  trans-65.9126.5149.9-78.6-173164.400106.4V201 S205V201-E203 PolarHBondContact O-N 2.69Å; V201-E203 VanDerWaalsContact O-N 3.16Å; E203-S205 PolarHBondContact O-N 2.89Å
204E35Very low46Very low195 Ų195110.8 Ų110.891%0.91161%0.614SS**  trans-63.274.5177.9-69.7-171.8159.300110.9T202T202-E204 PolarHBondContact O-N 3.4Å
205S35.9Very low45.6Very low88 Ų88112.5 Ų112.562%0.61563%0.628SS**  trans-99.1105.8161.8-69.10000106.7E203 A207E203-S205 PolarHBondContact O-N 2.89Å; S205-A207 PolarHBondContact O-N 3.37Å
206Q33.9Very low45.2Very low165 Ų165112.5 Ų112.577%0.77163%0.631SS**  trans-23.2126.3177.6-70170.9-14.800113.7Q208Q206-Q208 PolarHBondContact O-N 3.38Å
207A36.8Very low44.7Very low109 Ų109112.4 Ų112.490%0.90164%0.643SS**  trans-64.485.5166.500000109.3S205 S209S205-A207 PolarHBondContact O-N 3.37Å; A207-S209 PolarHBondContact O-N 2.93Å
208Q34.8Very low44.1Very low140 Ų140116.3 Ų116.365%0.65466%0.658SS**  trans-75.1115164-72.3-173.4-7.400107.6Q206Q206-Q208 PolarHBondContact O-N 3.38Å
209S36Very low43.7Very low78 Ų78125 Ų12555%0.54569%0.69SS.*  trans-48.5137.1164.3-175.80000109.4A207 V211 H212A207-S209 PolarHBondContact O-N 2.93Å; S209-V211 PolarHBondContact O-N 3.39Å; S209-H212 PolarHBondContact O-N 3.18Å
210P42.1Very low44Very low75 Ų75132 Ų13249%0.48772%0.721SS.*THydrogen-bonded Turntrans-676.5-176.519.7-22000114.2H212P210-H212 PolarHBondContact O-N 2.96Å
211V36.8Very low45.1Very low118 Ų118135 Ų13572%0.71573%0.731SS**THydrogen-bonded Turntrans-69-18.7176.3-176.30000112.3S209S209-V211 PolarHBondContact O-N 3.39Å
212H39Very low47.4Very low165 Ų165130.5 Ų130.576%0.76470%0.704SS**SBendtrans-107.785.5170.9-82.3-51.9000112S209 P210 L214S209-H212 PolarHBondContact O-N 3.18Å; P210-H212 PolarHBondContact O-N 2.96Å; H212-L214 PolarHBondContact O-N 2.65Å
213V39.7Very low49.8Very low123 Ų123131.6 Ų131.675%0.74570%0.698SS**  trans-56.6119.2166.4177.30000109.3S215V213-S215 PolarHBondContact O-N 3.22Å
214L39.2Very low52.6Low128 Ų128128.8 Ų128.867%0.6769%0.685SS**  trans-65.3113.2160.9-135.699000106.7H212 Q216H212-L214 PolarHBondContact O-N 2.65Å; L214-Q216 PolarHBondContact O-N 3.48Å
215S42.9Very low55.3Low84 Ų84122 Ų12259%0.58766%0.655SS**  trans-49.6133.9177.639.10000110.4V213V213-S215 PolarHBondContact O-N 3.22Å
216Q48.5Very low58Low170 Ų170122.2 Ų122.279%0.79465%0.648SS**  trans-43.7145.8161.7-66.4-179.9-12.400108.7L214 I218L214-Q216 PolarHBondContact O-N 3.48Å; Q216-I218 PolarHBondContact O-N 3.16Å
217P47.2Very low61Low129 Ų129121.5 Ų121.584%0.83864%0.639SS**  trans-54.6109.2172.522.1-30.4000107.2R219P217-R219 PolarHBondContact O-N 3.43Å
218I53Low63.7Low138 Ų138122 Ų12271%0.70862%0.621SS**  trans-59.8105.6-176.9-64.2169.6000105Q216 K220Q216-I218 PolarHBondContact O-N 3.16Å; I218-K220 PolarHBondContact O-N 3.19Å
219R66.6Low66.6Low196 Ų196120.1 Ų120.174%0.7461%0.612SS**  trans-57.2114.2171.3-176.8179.5179-173.4-2105.3P217 T221P217-R219 PolarHBondContact O-N 3.43Å; R219-T221 PolarHBondContact O-N 3.28Å; R219-T221 VanDerWaalsContact O-N 3.08Å
220K76.6Confident69.4Low184 Ų184120.5 Ų120.580%0.861%0.607SS**PPolyproline II helixtrans-58119.5179.7-69.1-176.3178.7-179.50107.6I218 T222I218-K220 PolarHBondContact O-N 3.19Å; K220-T222 PolarHBondContact O-N 3.23Å
221T81.9Confident72.1Confident104 Ų104121.6 Ų121.664%0.63861%0.612SS**PPolyproline II helixtrans-53.4124.9178.9-49.60000109.3R219 D225 I226R219-T221 PolarHBondContact O-N 3.28Å; R219-T221 VanDerWaalsContact O-N 3.08Å; T221-D225 HydrophobicContact CG2-CB 3.98Å; T221-I226 HydrophobicContact CG2-CG1 3.94Å
222T91.3Very high74.9Confident54 Ų54121 Ų12133%0.33160%0.6SS.*PPolyproline II helixtrans-89.8162.9-179.370.80000111K220 E224 D225 I226K220-T222 PolarHBondContact O-N 3.23Å; T222-E224 PolarHBondContact O-N 2.74Å; T222-E224 PolarHBondContact OG1-N 2.83Å; T222-D225 WeakPolarHBondContact CB-OD2 3.47Å; T222-D225 PolarHBondContact N-OD2 3.28Å; T222-D225 WeakPolarHBondContact O-CB 3.31Å; T222-D225 PolarHBondContact O-N 3.22Å; T222-D225 VanDerWaalsContact O-N 3.16Å; T222-D225 PolarHBondContact OG1-N 3.09Å; T222-D225 PolarHBondContact OG1-OD2 3.15Å; T222-I226 PolarHBondContact O-N 3.06Å; T222-I226 VanDerWaalsContact O-N 3.16Å
223K92.7Very high77.6Confident150 Ų150117 Ų11765%0.65258%0.584SS**Hα-helixtrans-57.9-33172.2-175.7178.3-178.21780112.3R227K223-R227 WeakPolarHBondContact O-CG 3.41Å; K223-R227 PolarHBondContact O-N 2.9Å; K223-R227 VanDerWaalsContact O-N 3.1Å
224E93.9Very high80.4Confident112 Ų112115.2 Ų115.252%0.52357%0.57SS.*Hα-helixtrans-68.9-40.8176.9-169-175.1154.500111.6T222 I226 R227 K228T222-E224 PolarHBondContact O-N 2.74Å; T222-E224 PolarHBondContact OG1-N 2.83Å; E224-I226 VanDerWaalsContact C-N 3.31Å; E224-I226 PolarHBondContact O-N 3.25Å; E224-R227 PolarHBondContact O-N 2.87Å; E224-K228 WeakPolarHBondContact O-CG 3.37Å; E224-K228 PolarHBondContact O-N 3.47Å; E224-K228 WeakPolarHBondContact OE1-CE 3.49Å; E224-K228 IonicContact OE1-NZ 3.25Å; E224-K228 PolarHBondContact OE1-NZ 3.37Å
225D92Very high83.1Confident52 Ų52111.6 Ų111.628%0.27856%0.559SS.*Hα-helixtrans-60.8-42.6176-58-43.9000110.9T221 T222 R227 K228 Q229T221-D225 HydrophobicContact CG2-CB 3.98Å; T222-D225 WeakPolarHBondContact CB-OD2 3.47Å; T222-D225 PolarHBondContact N-OD2 3.28Å; T222-D225 WeakPolarHBondContact O-CB 3.31Å; T222-D225 PolarHBondContact O-N 3.22Å; T222-D225 VanDerWaalsContact O-N 3.16Å; T222-D225 PolarHBondContact OG1-N 3.09Å; T222-D225 PolarHBondContact OG1-OD2 3.15Å; D225-R227 PolarHBondContact O-N 3.36Å; D225-K228 PolarHBondContact O-N 3.36Å; D225-Q229 WeakPolarHBondContact O-CB 3.29Å; D225-Q229 PolarHBondContact O-N 2.87Å
226I93.4Very high85.6Confident92 Ų92110.2 Ų110.247%0.47254%0.543SS..Hα-helixtrans-62.7-43.2176-63.2173000110.9T221 T222 E224 Q229 I230T221-I226 HydrophobicContact CG2-CG1 3.94Å; T222-I226 PolarHBondContact O-N 3.06Å; T222-I226 VanDerWaalsContact O-N 3.16Å; E224-I226 VanDerWaalsContact C-N 3.31Å; E224-I226 PolarHBondContact O-N 3.25Å; I226-Q229 WeakPolarHBondContact O-CB 3.32Å; I226-Q229 PolarHBondContact O-N 2.94Å; I226-I230 HydrophobicContact CG2-CD1 3.99Å; I226-I230 WeakPolarHBondContact O-CG1 3.42Å; I226-I230 PolarHBondContact O-N 3.21Å
227R95.8Very high87.8Confident150 Ų150108.5 Ų108.557%0.56654%0.538SS*.Hα-helixtrans-61.7-45.5177.1-76.6174.5173.4168-7.8111.9K223 E224 D225 Q229 I230 T231K223-R227 WeakPolarHBondContact O-CG 3.41Å; K223-R227 PolarHBondContact O-N 2.9Å; K223-R227 VanDerWaalsContact O-N 3.1Å; E224-R227 PolarHBondContact O-N 2.87Å; D225-R227 PolarHBondContact O-N 3.36Å; R227-Q229 VanDerWaalsContact C-N 3.28Å; R227-Q229 PolarHBondContact O-N 3.03Å; R227-I230 PolarHBondContact O-N 3.01Å; R227-T231 PolarHBondContact O-N 3.45Å; R227-T231 PolarHBondContact O-OG1 3.34Å
228K94.9Very high90.1Very high120 Ų120108.2 Ų108.252%0.52253%0.53SS..Hα-helixtrans-59.6-41.1175.2-73.4176.3-177.3164.90111.4E224 D225 T231 F232E224-K228 WeakPolarHBondContact O-CG 3.37Å; E224-K228 PolarHBondContact O-N 3.47Å; E224-K228 WeakPolarHBondContact OE1-CE 3.49Å; E224-K228 IonicContact OE1-NZ 3.25Å; E224-K228 PolarHBondContact OE1-NZ 3.37Å; D225-K228 PolarHBondContact O-N 3.36Å; K228-T231 PolarHBondContact O-N 3.32Å; K228-F232 WeakPolarHBondContact O-CB 3.2Å; K228-F232 PolarHBondContact O-N 3.19Å
229Q94.6Very high92.1Very high101 Ų101108.4 Ų108.447%0.47252%0.521SS..Hα-helixtrans-62.9-43176.3-171.462.82600111.9D225 I226 R227 F232 L233D225-Q229 WeakPolarHBondContact O-CB 3.29Å; D225-Q229 PolarHBondContact O-N 2.87Å; I226-Q229 WeakPolarHBondContact O-CB 3.32Å; I226-Q229 PolarHBondContact O-N 2.94Å; R227-Q229 VanDerWaalsContact C-N 3.28Å; R227-Q229 PolarHBondContact O-N 3.03Å; Q229-F232 PolarHBondContact O-N 2.95Å; Q229-L233 HydrophobicContact CG-CD1 4.01Å; Q229-L233 HydrophobicContact CG-CG 4.4Å; Q229-L233 WeakPolarHBondContact O-CB 3.38Å; Q229-L233 VanDerWaalsContact O-CG 3.24Å; Q229-L233 WeakPolarHBondContact O-CG 3.4Å; Q229-L233 PolarHBondContact O-N 3.24Å
230I96.3Very high93.5Very high86 Ų86108.4 Ų108.444%0.44153%0.529SS..Hα-helixtrans-62.2-49176.3-68.4165.9000110.5I226 R227 F232 L233 N234I226-I230 HydrophobicContact CG2-CD1 3.99Å; I226-I230 WeakPolarHBondContact O-CG1 3.42Å; I226-I230 PolarHBondContact O-N 3.21Å; R227-I230 PolarHBondContact O-N 3.01Å; I230-F232 VanDerWaalsContact C-N 3.3Å; I230-F232 PolarHBondContact O-N 3.36Å; I230-L233 PolarHBondContact O-N 3.28Å; I230-N234 WeakPolarHBondContact O-CB 3.37Å; I230-N234 PolarHBondContact O-N 3.47Å
231T96.9Very high94.4Very high98 Ų98105.1 Ų105.160%0.60153%0.528SS*.Hα-helixtrans-57.7-44.6177.3-590000111.5R227 K228 A235R227-T231 PolarHBondContact O-N 3.45Å; R227-T231 PolarHBondContact O-OG1 3.34Å; K228-T231 PolarHBondContact O-N 3.32Å; T231-A235 WeakPolarHBondContact O-CB 3.33Å; T231-A235 PolarHBondContact O-N 2.78Å; T231-A235 VanDerWaalsContact O-N 3.12Å
232F96.2Very high95Very high105 Ų105106.6 Ų106.646%0.46153%0.532SS..Hα-helixtrans-60.2-50.4176.3172.5-99.6000111.7K228 Q229 I230 A235 Q236K228-F232 WeakPolarHBondContact O-CB 3.2Å; K228-F232 PolarHBondContact O-N 3.19Å; Q229-F232 PolarHBondContact O-N 2.95Å; I230-F232 VanDerWaalsContact C-N 3.3Å; I230-F232 PolarHBondContact O-N 3.36Å; F232-A235 CarbonylContact O-C 3.58Å; F232-A235 WeakPolarHBondContact O-CB 3.31Å; F232-A235 PolarHBondContact O-N 3.22Å; F232-Q236 HydrophobicContact CD1-CG 4.09Å; F232-Q236 HydrophobicContact CE1-CG 3.68Å; F232-Q236 HydrophobicContact CE2-CG 4.24Å; F232-Q236 HydrophobicContact CZ-CG 3.77Å; F232-Q236 VanDerWaalsContact CZ-OE1 3.25Å; F232-Q236 VanDerWaalsContact O-CG 3.31Å; F232-Q236 WeakPolarHBondContact O-CG 3.48Å; F232-Q236 PolarHBondContact O-N 3.25Å
233L96.8Very high95.4Very high81 Ų81111.8 Ų111.842%0.42455%0.549SS..Hα-helixtrans-63.8-42.4-177.9-72.5173.4000112.4Q229 I230 A235 Q236 I237Q229-L233 HydrophobicContact CG-CD1 4.01Å; Q229-L233 HydrophobicContact CG-CG 4.4Å; Q229-L233 WeakPolarHBondContact O-CB 3.38Å; Q229-L233 VanDerWaalsContact O-CG 3.24Å; Q229-L233 WeakPolarHBondContact O-CG 3.4Å; Q229-L233 PolarHBondContact O-N 3.24Å; I230-L233 PolarHBondContact O-N 3.28Å; L233-A235 VanDerWaalsContact C-N 3.31Å; L233-A235 PolarHBondContact O-N 2.97Å; L233-Q236 WeakPolarHBondContact O-CA 3.43Å; L233-Q236 WeakPolarHBondContact O-CB 3.41Å; L233-Q236 PolarHBondContact O-N 3.45Å; L233-I237 WeakPolarHBondContact O-CG1 3.46Å; L233-I237 PolarHBondContact O-N 3.37Å
234N97.1Very high95.6Very high85 Ų85111.4 Ų111.446%0.45555%0.552SS.*Hα-helixtrans-57.7-47.5174.3-72.6-12.3000110.5I230 Q236 I237 D238I230-N234 WeakPolarHBondContact O-CB 3.37Å; I230-N234 PolarHBondContact O-N 3.47Å; N234-Q236 PolarHBondContact O-N 3.44Å; N234-I237 PolarHBondContact O-N 3.02Å; N234-I237 VanDerWaalsContact O-N 3.08Å; N234-D238 PolarHBondContact O-N 3.22Å; N234-D238 VanDerWaalsContact O-N 3.14Å
235A95.9Very high95.8Very high52 Ų52109.1 Ų109.143%0.4355%0.548SS..Hα-helixtrans-63-25.5174.800000113.5T231 F232 L233 R239T231-A235 WeakPolarHBondContact O-CB 3.33Å; T231-A235 PolarHBondContact O-N 2.78Å; T231-A235 VanDerWaalsContact O-N 3.12Å; F232-A235 CarbonylContact O-C 3.58Å; F232-A235 WeakPolarHBondContact O-CB 3.31Å; F232-A235 PolarHBondContact O-N 3.22Å; L233-A235 VanDerWaalsContact C-N 3.31Å; L233-A235 PolarHBondContact O-N 2.97Å; A235-R239 WeakPolarHBondContact O-CG 3.24Å
236Q96.1Very high96.1Very high56 Ų56112.1 Ų112.126%0.26256%0.559SS.*Hα-helixtrans-74.8-36.4173.4-56.4-49.4-103.100112.1F232 L233 N234 D238 R239F232-Q236 HydrophobicContact CD1-CG 4.09Å; F232-Q236 HydrophobicContact CE1-CG 3.68Å; F232-Q236 HydrophobicContact CE2-CG 4.24Å; F232-Q236 HydrophobicContact CZ-CG 3.77Å; F232-Q236 VanDerWaalsContact CZ-OE1 3.25Å; F232-Q236 VanDerWaalsContact O-CG 3.31Å; F232-Q236 WeakPolarHBondContact O-CG 3.48Å; F232-Q236 PolarHBondContact O-N 3.25Å; L233-Q236 WeakPolarHBondContact O-CA 3.43Å; L233-Q236 WeakPolarHBondContact O-CB 3.41Å; L233-Q236 PolarHBondContact O-N 3.45Å; N234-Q236 PolarHBondContact O-N 3.44Å; Q236-D238 VanDerWaalsContact C-N 3.34Å; Q236-R239 PolarHBondContact O-N 2.82Å
237I95.3Very high96.4Very high133 Ų133109.8 Ų109.868%0.68255%0.548SS*.Hα-helixtrans-67.3-38-179.8-68.5166.3000110.6L233 N234 R239L233-I237 WeakPolarHBondContact O-CG1 3.46Å; L233-I237 PolarHBondContact O-N 3.37Å; N234-I237 PolarHBondContact O-N 3.02Å; N234-I237 VanDerWaalsContact O-N 3.08Å; I237-R239 PolarHBondContact O-N 3.38Å
238D95.6Very high96.5Very high124 Ų124104.7 Ų104.766%0.66354%0.539SS*.THydrogen-bonded Turntrans-71.5-9.9-179.3-63.9-25.4000113.3N234 Q236 H240N234-D238 PolarHBondContact O-N 3.22Å; N234-D238 VanDerWaalsContact O-N 3.14Å; Q236-D238 VanDerWaalsContact C-N 3.34Å; D238-H240 PolarHBondContact O-N 2.96Å
239R95Very high96.6Very high142 Ų142103.9 Ų103.954%0.53654%0.537SS..SBendtrans-76.5119.1178.1-69.5-174.2-53.8-161.16.1111A235 Q236 I237 C241A235-R239 WeakPolarHBondContact O-CG 3.24Å; Q236-R239 PolarHBondContact O-N 2.82Å; I237-R239 PolarHBondContact O-N 3.38Å; R239-C241 PolarHBondContact O-N 3.37Å; R239-C241 PolarHBondContact O-SG 2.72Å; R239-C241 VanDerWaalsContact O-SG 3.39Å
240H94.9Very high96.8Very high196 Ų196102.2 Ų102.291%0.90754%0.536SS*.  trans-59.4120170.9-66.3-70.1000111.1D238D238-H240 PolarHBondContact O-N 2.96Å
241C95.1Very high96.9Very high115 Ų115103.2 Ų103.278%0.77754%0.542SS*.  trans-109.5143.6177.6-66.30000110.2R239R239-C241 PolarHBondContact O-N 3.37Å; R239-C241 PolarHBondContact O-SG 2.72Å; R239-C241 VanDerWaalsContact O-SG 3.39Å
242L96.1Very high97Very high135 Ų135103 Ų10371%0.70754%0.536SS*.  trans-92.9153.7173.5-68.8168.5000110.6V247L242-V247 HydrophobicContact CB-CG2 3.76Å
243K98.1Very high97.1Very high162 Ų162100.6 Ų100.670%0.70454%0.535SS*.  trans-63.6140.3171.5-68.3-175.5178.2-178.80109.8S245 K246 V247K243-S245 PolarHBondContact O-N 3.21Å; K243-K246 HydrophobicContact CB-CG 4.5Å; K243-K246 PolarHBondContact O-N 3.46Å; K243-V247 PolarHBondContact O-N 3.05Å
244M98.1Very high97.2Very high142 Ų142102.5 Ų102.570%0.754%0.538SS*.Hα-helixtrans-57.6-34179.5-74.6-50.2-52.800113.8K246 V247 A248M244-K246 VanDerWaalsContact C-N 3.34Å; M244-K246 PolarHBondContact O-N 2.83Å; M244-V247 PolarHBondContact O-N 2.94Å; M244-A248 WeakPolarHBondContact O-CB 3.46Å; M244-A248 PolarHBondContact O-N 3.07Å
245S98.1Very high97.2Very high64 Ų64102.6 Ų102.645%0.44854%0.541SS..Hα-helixtrans-60.8-43.2174.153.90000112.1K243 A248 E249K243-S245 PolarHBondContact O-N 3.21Å; S245-A248 PolarHBondContact O-N 2.82Å; S245-E249 WeakPolarHBondContact O-CB 3.36Å; S245-E249 VanDerWaalsContact O-CG 3.22Å; S245-E249 WeakPolarHBondContact O-CG 3.4Å; S245-E249 PolarHBondContact O-N 2.94Å
246K98.3Very high97.3Very high116 Ų116106.3 Ų106.350%0.50455%0.55SS..Hα-helixtrans-68.7-38.8178.4-69.4-70.1160.9-151.20112.3K243 M244 E249 S250K243-K246 HydrophobicContact CB-CG 4.5Å; K243-K246 PolarHBondContact O-N 3.46Å; M244-K246 VanDerWaalsContact C-N 3.34Å; M244-K246 PolarHBondContact O-N 2.83Å; K246-E249 IonicContact NZ-OE1 3.69Å; K246-E249 IonicContact NZ-OE2 2.79Å; K246-E249 PolarHBondContact NZ-OE2 3.16Å; K246-S250 WeakPolarHBondContact O-CB 3.35Å; K246-S250 PolarHBondContact O-N 3.39Å; K246-S250 PolarHBondContact O-OG 3.39Å
247V98.4Very high97.4Very high42 Ų42107.3 Ų107.326%0.25556%0.555SS.*Hα-helixtrans-62-50.8173.8177.50000110.1L242 K243 M244 S250 L251L242-V247 HydrophobicContact CB-CG2 3.76Å; K243-V247 PolarHBondContact O-N 3.05Å; M244-V247 PolarHBondContact O-N 2.94Å; V247-S250 PolarHBondContact O-N 3.11Å; V247-S250 PolarHBondContact O-OG 3.19Å; V247-L251 HydrophobicContact CG1-CD1 3.89Å; V247-L251 HydrophobicContact CG1-CG 4.38Å; V247-L251 WeakPolarHBondContact O-CG 3.34Å; V247-L251 PolarHBondContact O-N 2.75Å
248A98.5Very high97.5Very high44 Ų44102.2 Ų102.236%0.36453%0.527SS..Hα-helixtrans-60.1-49.3179.700000112.2M244 S245 S250 L251 I252M244-A248 WeakPolarHBondContact O-CB 3.46Å; M244-A248 PolarHBondContact O-N 3.07Å; S245-A248 PolarHBondContact O-N 2.82Å; A248-S250 VanDerWaalsContact C-N 3.28Å; A248-S250 PolarHBondContact O-N 2.74Å; A248-L251 PolarHBondContact O-N 2.92Å; A248-I252 WeakPolarHBondContact O-CB 3.29Å; A248-I252 VanDerWaalsContact O-CG1 3.28Å; A248-I252 WeakPolarHBondContact O-CG1 3.48Å; A248-I252 PolarHBondContact O-N 3.39Å
249E98.4Very high97.6Very high103 Ų10398.8 Ų98.848%0.48151%0.511SS..Hα-helixtrans-53.3-45.9175-76.4166.9-159.500111.4S245 K246 A253S245-E249 WeakPolarHBondContact O-CB 3.36Å; S245-E249 VanDerWaalsContact O-CG 3.22Å; S245-E249 WeakPolarHBondContact O-CG 3.4Å; S245-E249 PolarHBondContact O-N 2.94Å; K246-E249 IonicContact NZ-OE1 3.69Å; K246-E249 IonicContact NZ-OE2 2.79Å; K246-E249 PolarHBondContact NZ-OE2 3.16Å; E249-A253 WeakPolarHBondContact O-CB 3.49Å; E249-A253 PolarHBondContact O-N 3.24Å
250S98.1Very high97.6Very high66 Ų6697 Ų9746%0.46251%0.508SS..Hα-helixtrans-67.6-39.2-179.469.20000113.6K246 V247 A248 Y254K246-S250 WeakPolarHBondContact O-CB 3.35Å; K246-S250 PolarHBondContact O-N 3.39Å; K246-S250 PolarHBondContact O-OG 3.39Å; V247-S250 PolarHBondContact O-N 3.11Å; V247-S250 PolarHBondContact O-OG 3.19Å; A248-S250 VanDerWaalsContact C-N 3.28Å; A248-S250 PolarHBondContact O-N 2.74Å; S250-Y254 VanDerWaalsContact O-CB 3.31Å; S250-Y254 WeakPolarHBondContact O-CB 3.4Å; S250-Y254 PolarHBondContact O-N 2.89Å
251L98.5Very high97.6Very high106 Ų10689.8 Ų89.856%0.55547%0.473SS*.Hα-helixtrans-70.4-39.5179.1-70.5174.8000111.6V247 A248 T255V247-L251 HydrophobicContact CG1-CD1 3.89Å; V247-L251 HydrophobicContact CG1-CG 4.38Å; V247-L251 WeakPolarHBondContact O-CG 3.34Å; V247-L251 PolarHBondContact O-N 2.75Å; A248-L251 PolarHBondContact O-N 2.92Å; L251-T255 WeakPolarHBondContact O-CB 3.42Å; L251-T255 PolarHBondContact O-N 3.14Å; L251-T255 PolarHBondContact O-OG1 3.22Å
252I98.4Very high97.7Very high94 Ų9487.1 Ų87.148%0.48245%0.451SS..Hα-helixtrans-63.1-53.5175.3-68.5166.3000109.4A248 Y254 T255 E256A248-I252 WeakPolarHBondContact O-CB 3.29Å; A248-I252 VanDerWaalsContact O-CG1 3.28Å; A248-I252 WeakPolarHBondContact O-CG1 3.48Å; A248-I252 PolarHBondContact O-N 3.39Å; I252-Y254 VanDerWaalsContact C-N 3.3Å; I252-Y254 PolarHBondContact O-N 3.22Å; I252-T255 PolarHBondContact O-N 3.08Å; I252-E256 HydrophobicContact CG2-CG 4.22Å; I252-E256 WeakPolarHBondContact CG2-OE1 3.4Å; I252-E256 WeakPolarHBondContact O-CG 3.5Å; I252-E256 PolarHBondContact O-N 2.99Å
253A98.3Very high97.6Very high54 Ų5484 Ų8445%0.44644%0.439SS..Hα-helixtrans-59.6-40.7-179.200000112.3E249 Q257E249-A253 WeakPolarHBondContact O-CB 3.49Å; E249-A253 PolarHBondContact O-N 3.24Å; A253-Q257 WeakPolarHBondContact O-CB 3.43Å; A253-Q257 PolarHBondContact O-N 3.49Å
254Y98.2Very high97.6Very high122 Ų12283.9 Ų83.948%0.47845%0.445SS..Hα-helixtrans-61.4-48173.1-176.1-85.9000110.8S250 I252 E256 Q257 Y258S250-Y254 VanDerWaalsContact O-CB 3.31Å; S250-Y254 WeakPolarHBondContact O-CB 3.4Å; S250-Y254 PolarHBondContact O-N 2.89Å; I252-Y254 VanDerWaalsContact C-N 3.3Å; I252-Y254 PolarHBondContact O-N 3.22Å; Y254-E256 PolarHBondContact O-N 2.96Å; Y254-Q257 WeakPolarHBondContact O-CB 3.49Å; Y254-Q257 PolarHBondContact O-N 2.93Å; Y254-Y258 HydrophobicContact CD1-CD2 4.16Å; Y254-Y258 HydrophobicContact CD1-CE2 4.43Å; Y254-Y258 HydrophobicContact CD2-CD2 4.34Å; Y254-Y258 AromaticContact CD2-CE2 3.88Å; Y254-Y258 HydrophobicContact CD2-CE2 3.88Å; Y254-Y258 AromaticContact CE1-CD2 3.86Å; Y254-Y258 HydrophobicContact CE1-CD2 3.86Å; Y254-Y258 HydrophobicContact CE1-CE2 4.01Å; Y254-Y258 HydrophobicContact CE2-CD2 4.09Å; Y254-Y258 AromaticContact CE2-CE2 3.42Å; Y254-Y258 HydrophobicContact CE2-CE2 3.42Å; Y254-Y258 VanDerWaalsContact CE2-CE2 3.42Å; Y254-Y258 HydrophobicContact CG-CD2 4.38Å; Y254-Y258 HydrophobicContact CG-CE2 4.37Å; Y254-Y258 AromaticContact CZ-CD2 3.83Å; Y254-Y258 AromaticContact CZ-CE2 3.47Å; Y254-Y258 VanDerWaalsContact CZ-CE2 3.47Å; Y254-Y258 VanDerWaalsContact O-CD2 3.29Å; Y254-Y258 WeakPolarHBondContact O-CD2 3.21Å; Y254-Y258 PolarHBondContact O-N 2.93Å
255T98.2Very high97.5Very high86 Ų8682.2 Ų82.253%0.52844%0.438SS..Hα-helixtrans-62-45.4-179.5-54.70000111.7L251 I252 Q257 Y258 V259L251-T255 WeakPolarHBondContact O-CB 3.42Å; L251-T255 PolarHBondContact O-N 3.14Å; L251-T255 PolarHBondContact O-OG1 3.22Å; I252-T255 PolarHBondContact O-N 3.08Å; T255-Q257 VanDerWaalsContact C-N 3.29Å; T255-Q257 PolarHBondContact O-N 3.01Å; T255-Y258 PolarHBondContact O-N 3.21Å; T255-V259 PolarHBondContact O-N 3.42Å
256E97.7Very high97.4Very high130 Ų13081.5 Ų81.561%0.60743%0.431SS*.Hα-helixtrans-60.1-37.8176.4-71.6175.1168.400112.1I252 Y254 Y258 V259I252-E256 HydrophobicContact CG2-CG 4.22Å; I252-E256 WeakPolarHBondContact CG2-OE1 3.4Å; I252-E256 WeakPolarHBondContact O-CG 3.5Å; I252-E256 PolarHBondContact O-N 2.99Å; Y254-E256 PolarHBondContact O-N 2.96Å; E256-Y258 VanDerWaalsContact C-N 3.28Å; E256-Y258 PolarHBondContact O-N 3.24Å; E256-V259 VanDerWaalsContact O-CG1 3.29Å; E256-V259 WeakPolarHBondContact O-CG1 3.38Å; E256-V259 PolarHBondContact O-N 2.9Å
257Q97.8Very high97.1Very high77 Ų7781.3 Ų81.336%0.3644%0.442SS..Hα-helixtrans-63.9-32178.3-175.4173.531.100113A253 Y254 T255 F300A253-Q257 WeakPolarHBondContact O-CB 3.43Å; A253-Q257 PolarHBondContact O-N 3.49Å; Y254-Q257 WeakPolarHBondContact O-CB 3.49Å; Y254-Q257 PolarHBondContact O-N 2.93Å; T255-Q257 VanDerWaalsContact C-N 3.29Å; T255-Q257 PolarHBondContact O-N 3.01Å; Q257-F300 HydrophobicContact CG-CD1 4.07Å; Q257-F300 HydrophobicContact CG-CD2 3.73Å; Q257-F300 HydrophobicContact CG-CE1 4.07Å; Q257-F300 HydrophobicContact CG-CE2 3.73Å; Q257-F300 HydrophobicContact CG-CG 3.89Å; Q257-F300 HydrophobicContact CG-CZ 3.87Å; Q257-F300 VanDerWaalsContact NE2-CD1 3.26Å; Q257-F300 VanDerWaalsContact NE2-CG 3.27Å; Q257-F300 VanDerWaalsContact O-CE2 3.29Å; Q257-F300 WeakPolarHBondContact O-CE2 3.4Å; Q257-F300 WeakPolarHBondContact O-CZ 3.28Å
258Y97.7Very high96.8Very high27 Ų2780.5 Ų80.511%0.10644%0.439CS..Hα-helixtrans-102-1.1-177.8-71.9-93.3000114.1Y254 T255 E256 E260 Y261 D262 R297 F300 E304Y254-Y258 HydrophobicContact CD1-CD2 4.16Å; Y254-Y258 HydrophobicContact CD1-CE2 4.43Å; Y254-Y258 HydrophobicContact CD2-CD2 4.34Å; Y254-Y258 AromaticContact CD2-CE2 3.88Å; Y254-Y258 HydrophobicContact CD2-CE2 3.88Å; Y254-Y258 AromaticContact CE1-CD2 3.86Å; Y254-Y258 HydrophobicContact CE1-CD2 3.86Å; Y254-Y258 HydrophobicContact CE1-CE2 4.01Å; Y254-Y258 HydrophobicContact CE2-CD2 4.09Å; Y254-Y258 AromaticContact CE2-CE2 3.42Å; Y254-Y258 HydrophobicContact CE2-CE2 3.42Å; Y254-Y258 VanDerWaalsContact CE2-CE2 3.42Å; Y254-Y258 HydrophobicContact CG-CD2 4.38Å; Y254-Y258 HydrophobicContact CG-CE2 4.37Å; Y254-Y258 AromaticContact CZ-CD2 3.83Å; Y254-Y258 AromaticContact CZ-CE2 3.47Å; Y254-Y258 VanDerWaalsContact CZ-CE2 3.47Å; Y254-Y258 VanDerWaalsContact O-CD2 3.29Å; Y254-Y258 WeakPolarHBondContact O-CD2 3.21Å; Y254-Y258 PolarHBondContact O-N 2.93Å; T255-Y258 PolarHBondContact O-N 3.21Å; E256-Y258 VanDerWaalsContact C-N 3.28Å; E256-Y258 PolarHBondContact O-N 3.24Å; Y258-E260 VanDerWaalsContact C-N 3.25Å; Y258-E260 PolarHBondContact O-N 3.26Å; Y258-Y261 WeakPolarHBondContact O-CA 3.5Å; Y258-Y261 WeakPolarHBondContact O-CB 3.46Å; Y258-Y261 PolarHBondContact O-N 3.1Å; Y258-D262 PolarHBondContact O-N 2.95Å; Y258-R297 HydrophobicContact CE1-CG 4.28Å; Y258-F300 HydrophobicContact CD1-CD2 4.21Å; Y258-F300 HydrophobicContact CD1-CE2 4.32Å; Y258-F300 AromaticContact CE1-CD2 3.72Å; Y258-F300 HydrophobicContact CE1-CD2 3.72Å; Y258-F300 HydrophobicContact CE1-CE2 4.27Å; Y258-F300 HydrophobicContact CE2-CD2 4.05Å; Y258-F300 AromaticContact CZ-CD2 3.63Å; Y258-E304 HydrophobicContact CE1-CG 4.45Å; Y258-E304 VanDerWaalsContact OH-CD 3.3Å; Y258-E304 WeakPolarHBondContact OH-CG 3.32Å
259V97.4Very high96.3Very high52 Ų5285.1 Ų85.132%0.31545%0.453SS..G310 helixtrans-59-35.3-176.276.60000113T255 E256 Y261 D262 I265 T266T255-V259 PolarHBondContact O-N 3.42Å; E256-V259 VanDerWaalsContact O-CG1 3.29Å; E256-V259 WeakPolarHBondContact O-CG1 3.38Å; E256-V259 PolarHBondContact O-N 2.9Å; V259-Y261 PolarHBondContact O-N 2.92Å; V259-D262 PolarHBondContact O-N 2.88Å; V259-I265 HydrophobicContact CG2-CB 4.35Å; V259-I265 HydrophobicContact CG2-CD1 4.18Å; V259-I265 HydrophobicContact CG2-CG2 3.72Å; V259-T266 WeakPolarHBondContact O-CB 3.33Å; V259-T266 PolarHBondContact O-OG1 2.94Å
260E95.7Very high96Very high103 Ų10384 Ų8448%0.48146%0.455SS..G310 helixtrans-67.3-15.8175.7-66.1-175.1163.200113Y258 K296Y258-E260 VanDerWaalsContact C-N 3.25Å; Y258-E260 PolarHBondContact O-N 3.26Å; E260-K296 IonicContact OE2-NZ 3.8Å; E260-K296 PolarHBondContact OE2-NZ 3.16Å
261Y95.1Very high95.8Very high46 Ų4682.3 Ų82.318%0.1844%0.443CS..G310 helixtrans-107.8-0.9-177.5-59.4-96.8000112.8Y258 V259 P263 Q293 R297 F300Y258-Y261 WeakPolarHBondContact O-CA 3.5Å; Y258-Y261 WeakPolarHBondContact O-CB 3.46Å; Y258-Y261 PolarHBondContact O-N 3.1Å; V259-Y261 PolarHBondContact O-N 2.92Å; Y261-P263 WeakPolarHBondContact O-CD 3.35Å; Y261-Q293 HydrophobicContact CE1-CB 3.98Å; Y261-Q293 WeakPolarHBondContact CE1-O 3.34Å; Y261-Q293 PolarHBondContact OH-O 3.24Å; Y261-Q293 VanDerWaalsContact OH-O 3.1Å; Y261-R297 HydrophobicContact CE1-CB 3.86Å; Y261-R297 HydrophobicContact CE1-CG 4.4Å; Y261-F300 HydrophobicContact CD2-CE2 4.01Å; Y261-F300 HydrophobicContact CD2-CZ 4.44Å; Y261-F300 AromaticContact CE2-CE2 3.44Å; Y261-F300 HydrophobicContact CE2-CE2 3.44Å; Y261-F300 VanDerWaalsContact CE2-CE2 3.44Å; Y261-F300 AromaticContact CE2-CZ 3.49Å; Y261-F300 HydrophobicContact CE2-CZ 3.49Å; Y261-F300 VanDerWaalsContact CE2-CZ 3.49Å; Y261-F300 AromaticContact CZ-CE2 3.97Å; Y261-F300 AromaticContact CZ-CZ 3.94Å
262D96.8Very high95.7Very high59 Ų5978.6 Ų78.632%0.31642%0.424SS..  trans-90.4109.7177.7-169.6-32.4000110Y258 V259 L264 I265 T266Y258-D262 PolarHBondContact O-N 2.95Å; V259-D262 PolarHBondContact O-N 2.88Å; D262-L264 PolarHBondContact O-N 3.32Å; D262-L264 VanDerWaalsContact O-N 3.15Å; D262-L264 WeakPolarHBondContact OD1-CB 3.49Å; D262-L264 PolarHBondContact OD1-N 3.25Å; D262-I265 HydrophobicContact CB-CB 4.37Å; D262-I265 HydrophobicContact CB-CD1 4.37Å; D262-I265 HydrophobicContact CB-CG1 4.38Å; D262-I265 PolarHBondContact O-N 2.9Å; D262-I265 VanDerWaalsContact O-N 3.09Å; D262-T266 PolarHBondContact O-N 3.38Å; D262-T266 VanDerWaalsContact O-O 3.13Å
263P94.6Very high95.6Very high70 Ų7074.5 Ų74.546%0.45540%0.403SS..THydrogen-bonded Turntrans-70-8.4-176.430.9-36.7000114Y261 T266 A268Y261-P263 WeakPolarHBondContact O-CD 3.35Å; P263-T266 WeakPolarHBondContact CA-O 3.28Å; P263-A268 HydrophobicContact CB-CB 4.3Å
264L96.4Very high95.5Very high159 Ų15981.5 Ų81.583%0.83242%0.418SS*.THydrogen-bonded Turntrans-86.3-22.1173.4-60.1178.3000112.4D262D262-L264 PolarHBondContact O-N 3.32Å; D262-L264 VanDerWaalsContact O-N 3.15Å; D262-L264 WeakPolarHBondContact OD1-CB 3.49Å; D262-L264 PolarHBondContact OD1-N 3.25Å
265I96.6Very high95.5Very high107 Ų10782.5 Ų82.555%0.54943%0.431SS..THydrogen-bonded Turntrans-107.1-51.1-178.4-57.1176.6000110.4V259 D262V259-I265 HydrophobicContact CG2-CB 4.35Å; V259-I265 HydrophobicContact CG2-CD1 4.18Å; V259-I265 HydrophobicContact CG2-CG2 3.72Å; D262-I265 HydrophobicContact CB-CB 4.37Å; D262-I265 HydrophobicContact CB-CD1 4.37Å; D262-I265 HydrophobicContact CB-CG1 4.38Å; D262-I265 PolarHBondContact O-N 2.9Å; D262-I265 VanDerWaalsContact O-N 3.09Å
266T95.4Very high95.4Very high49 Ų4980.9 Ų80.930%0.30142%0.422SS..SBendtrans-105.9126.8-179.2-56.20000109.2V259 D262 P263 A268V259-T266 WeakPolarHBondContact O-CB 3.33Å; V259-T266 PolarHBondContact O-OG1 2.94Å; D262-T266 PolarHBondContact O-N 3.38Å; D262-T266 VanDerWaalsContact O-O 3.13Å; P263-T266 WeakPolarHBondContact CA-O 3.28Å; T266-A268 PolarHBondContact O-N 3.03Å
267P93.4Very high95.3Very high112 Ų11281.9 Ų81.973%0.72743%0.432SS*.PPolyproline II helixtrans-56.3126.3177.5-25.634.5000111.9
268A90.8Very high95.2Very high24 Ų2481.7 Ų81.720%0.19843%0.434CS..PPolyproline II helixtrans-71.3138.7177.100000111.2P263 T266 P270 S271 L281P263-A268 HydrophobicContact CB-CB 4.3Å; T266-A268 PolarHBondContact O-N 3.03Å; A268-P270 CarbonylContact O-C 3.56Å; A268-S271 CarbonylContact O-C 3.57Å; A268-S271 WeakPolarHBondContact O-CA 3.49Å; A268-S271 PolarHBondContact O-N 3Å; A268-L281 HydrophobicContact CB-CD2 3.67Å
269E88.9Confident95.2Very high142 Ų14283.9 Ų83.966%0.66445%0.449SS*.SBendtrans-101.3130.8177-66.5-172.4173.600111.1L281E269-L281 VanDerWaalsContact O-CD1 3.25Å; E269-L281 WeakPolarHBondContact O-CD1 3.38Å
270P91.6Very high95.1Very high79 Ų7982.7 Ų82.751%0.51345%0.445SS..SBendcis-80.3-299.930.2-35.2000114.3A268 A280 I284A268-P270 CarbonylContact O-C 3.56Å; P270-A280 HydrophobicContact CG-CB 4.17Å; P270-I284 HydrophobicContact CG-CD1 4.41Å
271S94.5Very high95Very high30 Ų3078.9 Ų78.921%0.2143%0.428CS..  trans-162.1160.7172.8630000110.2A268 P273 S276A268-S271 CarbonylContact O-C 3.57Å; A268-S271 WeakPolarHBondContact O-CA 3.49Å; A268-S271 PolarHBondContact O-N 3Å; S271-P273 WeakPolarHBondContact O-CD 3.46Å; S271-S276 WeakPolarHBondContact OG-CB 3.39Å; S271-S276 PolarHBondContact OG-OG 2.85Å
272N95.8Very high95Very high29 Ų2981.4 Ų81.416%0.15544%0.437CS..  trans-75.9116.9172.5-175.9-26.2000109.7W274 I275 S276N272-W274 PolarHBondContact O-N 3.24Å; N272-W274 VanDerWaalsContact O-N 3.08Å; N272-W274 WeakPolarHBondContact OD1-CB 3.5Å; N272-W274 VanDerWaalsContact OD1-CD1 3.23Å; N272-W274 PolarHBondContact OD1-N 3.31Å; N272-W274 VanDerWaalsContact OD1-N 3.08Å; N272-I275 HydrophobicContact CB-CB 4.47Å; N272-I275 HydrophobicContact CB-CD1 4.09Å; N272-I275 HydrophobicContact CB-CG1 4.24Å; N272-I275 PolarHBondContact O-N 2.99Å; N272-S276 PolarHBondContact O-N 2.74Å; N272-S276 PolarHBondContact O-OG 3.31Å; N272-S276 VanDerWaalsContact O-OG 3.08Å
273P96.9Very high94.9Very high8 Ų883.6 Ų83.65%0.05245%0.449CS..Hα-helixtrans-57.8-27.3-175.7-27.436.3000114.3S271 I275 D277 D278 L281 W282S271-P273 WeakPolarHBondContact O-CD 3.46Å; P273-I275 PolarHBondContact O-N 3.45Å; P273-D277 WeakPolarHBondContact O-CA 3.34Å; P273-D277 PolarHBondContact O-N 3.5Å; P273-D277 VanDerWaalsContact O-N 3.08Å; P273-D278 WeakPolarHBondContact CA-O 3.49Å; P273-D278 WeakPolarHBondContact CB-O 3.37Å; P273-D278 WeakPolarHBondContact CG-O 3.44Å; P273-L281 HydrophobicContact CG-CB 3.96Å; P273-L281 HydrophobicContact CG-CD2 4.29Å; P273-W282 HydrophobicContact CB-CD2 4.26Å; P273-W282 HydrophobicContact CB-CE3 4.5Å; P273-W282 HydrophobicContact CB-CH2 4.08Å; P273-W282 HydrophobicContact CB-CZ2 3.81Å; P273-W282 HydrophobicContact CB-CZ3 4.42Å; P273-W282 HydrophobicContact CG-CD2 4.08Å; P273-W282 HydrophobicContact CG-CG 4.3Å; P273-W282 HydrophobicContact CG-CZ2 4.2Å
274W96.8Very high94.7Very high201 Ų20182.8 Ų82.876%0.76144%0.441SS*.Hα-helixtrans-73.6-14.5178.2-57.7108.1000113.9N272 W282N272-W274 PolarHBondContact O-N 3.24Å; N272-W274 VanDerWaalsContact O-N 3.08Å; N272-W274 WeakPolarHBondContact OD1-CB 3.5Å; N272-W274 VanDerWaalsContact OD1-CD1 3.23Å; N272-W274 PolarHBondContact OD1-N 3.31Å; N272-W274 VanDerWaalsContact OD1-N 3.08Å; W274-W282 HydrophobicContact CD2-CZ2 4.49Å; W274-W282 AromaticContact CE2-CZ2 3.81Å; W274-W282 HydrophobicContact CH2-CH2 4.31Å; W274-W282 HydrophobicContact CH2-CZ2 4.46Å; W274-W282 HydrophobicContact CZ2-CH2 4.1Å; W274-W282 AromaticContact CZ2-CZ2 3.8Å; W274-W282 HydrophobicContact CZ2-CZ2 3.8Å; W274-W282 AromaticContact NE1-CZ2 3.96Å
275I96.6Very high94.5Very high143 Ų14380.6 Ų80.673%0.73343%0.426SS*.Hα-helixtrans-108.5-38.7-178.9-57.5177.5000110.6N272 P273N272-I275 HydrophobicContact CB-CB 4.47Å; N272-I275 HydrophobicContact CB-CD1 4.09Å; N272-I275 HydrophobicContact CB-CG1 4.24Å; N272-I275 PolarHBondContact O-N 2.99Å; P273-I275 PolarHBondContact O-N 3.45Å
276S96.3Very high94.2Very high51 Ų5183.1 Ų83.136%0.35744%0.437SS..Hα-helixtrans-97.2-12-174.159.80000114.6S271 N272 D278S271-S276 WeakPolarHBondContact OG-CB 3.39Å; S271-S276 PolarHBondContact OG-OG 2.85Å; N272-S276 PolarHBondContact O-N 2.74Å; N272-S276 PolarHBondContact O-OG 3.31Å; N272-S276 VanDerWaalsContact O-OG 3.08Å; S276-D278 PolarHBondContact O-N 2.84Å; S276-D278 VanDerWaalsContact O-N 3.14Å; S276-D278 PolarHBondContact OG-N 3.15Å
277D95.9Very high94.1Very high151 Ų15182.8 Ų82.881%0.80744%0.437SS*.  trans55.319.5-167.7-61.7-37.9000113.7P273P273-D277 WeakPolarHBondContact O-CA 3.34Å; P273-D277 PolarHBondContact O-N 3.5Å; P273-D277 VanDerWaalsContact O-N 3.08Å
278D96.1Very high94Very high74 Ų7486.4 Ų86.440%0.39644%0.441SS..  trans-102115.3175.1-177.34.7000110.6P273 S276 A280P273-D278 WeakPolarHBondContact CA-O 3.49Å; P273-D278 WeakPolarHBondContact CB-O 3.37Å; P273-D278 WeakPolarHBondContact CG-O 3.44Å; S276-D278 PolarHBondContact O-N 2.84Å; S276-D278 VanDerWaalsContact O-N 3.14Å; S276-D278 PolarHBondContact OG-N 3.15Å; D278-A280 VanDerWaalsContact C-N 3.27Å; D278-A280 PolarHBondContact O-N 2.92Å; D278-A280 VanDerWaalsContact OD1-CB 3.24Å; D278-A280 WeakPolarHBondContact OD1-CB 3.48Å; D278-A280 PolarHBondContact OD1-N 3.35Å
279V96.8Very high94Very high72 Ų7292.9 Ų92.944%0.43647%0.468SS..THydrogen-bonded Turntrans-820.2-177.8-60.50000114L281 W282 D283V279-L281 PolarHBondContact O-N 2.84Å; V279-L281 VanDerWaalsContact O-N 3.08Å; V279-W282 HydrophobicContact CB-CE3 4.03Å; V279-W282 HydrophobicContact CG1-CE3 3.82Å; V279-W282 HydrophobicContact CG1-CZ3 3.86Å; V279-W282 PolarHBondContact O-N 3.27Å; V279-D283 PolarHBondContact O-N 3.16Å
280A95.5Very high94.2Very high28 Ų2887.6 Ų87.623%0.23145%0.445CS..Hα-helixtrans-53.5-34-176.200000113.9P270 D278 D283 I284P270-A280 HydrophobicContact CG-CB 4.17Å; D278-A280 VanDerWaalsContact C-N 3.27Å; D278-A280 PolarHBondContact O-N 2.92Å; D278-A280 VanDerWaalsContact OD1-CB 3.24Å; D278-A280 WeakPolarHBondContact OD1-CB 3.48Å; D278-A280 PolarHBondContact OD1-N 3.35Å; A280-D283 PolarHBondContact O-N 2.99Å; A280-I284 WeakPolarHBondContact O-CD1 3.45Å; A280-I284 WeakPolarHBondContact O-CG1 3.17Å; A280-I284 PolarHBondContact O-N 2.97Å
281L93.4Very high94.2Very high22 Ų2285.7 Ų85.712%0.11543%0.434CS..Hα-helixtrans-59.9-47.5175.3175.364.3000111.7A268 E269 P273 V279 D283 I284 E285A268-L281 HydrophobicContact CB-CD2 3.67Å; E269-L281 VanDerWaalsContact O-CD1 3.25Å; E269-L281 WeakPolarHBondContact O-CD1 3.38Å; P273-L281 HydrophobicContact CG-CB 3.96Å; P273-L281 HydrophobicContact CG-CD2 4.29Å; V279-L281 PolarHBondContact O-N 2.84Å; V279-L281 VanDerWaalsContact O-N 3.08Å; L281-D283 VanDerWaalsContact C-N 3.32Å; L281-D283 PolarHBondContact O-N 2.95Å; L281-I284 WeakPolarHBondContact O-CB 3.41Å; L281-I284 PolarHBondContact O-N 3.32Å; L281-E285 HydrophobicContact CD1-CG 4.29Å; L281-E285 WeakPolarHBondContact O-CG 3.48Å; L281-E285 PolarHBondContact O-N 2.64Å
282W95.3Very high94.1Very high99 Ų9988.9 Ų88.938%0.37545%0.446SS..Hα-helixtrans-64.2-39.1180-65.1-25.7000111.7P273 W274 V279 I284 E285 M286P273-W282 HydrophobicContact CB-CD2 4.26Å; P273-W282 HydrophobicContact CB-CE3 4.5Å; P273-W282 HydrophobicContact CB-CH2 4.08Å; P273-W282 HydrophobicContact CB-CZ2 3.81Å; P273-W282 HydrophobicContact CB-CZ3 4.42Å; P273-W282 HydrophobicContact CG-CD2 4.08Å; P273-W282 HydrophobicContact CG-CG 4.3Å; P273-W282 HydrophobicContact CG-CZ2 4.2Å; W274-W282 HydrophobicContact CD2-CZ2 4.49Å; W274-W282 AromaticContact CE2-CZ2 3.81Å; W274-W282 HydrophobicContact CH2-CH2 4.31Å; W274-W282 HydrophobicContact CH2-CZ2 4.46Å; W274-W282 HydrophobicContact CZ2-CH2 4.1Å; W274-W282 AromaticContact CZ2-CZ2 3.8Å; W274-W282 HydrophobicContact CZ2-CZ2 3.8Å; W274-W282 AromaticContact NE1-CZ2 3.96Å; V279-W282 HydrophobicContact CB-CE3 4.03Å; V279-W282 HydrophobicContact CG1-CE3 3.82Å; V279-W282 HydrophobicContact CG1-CZ3 3.86Å; V279-W282 PolarHBondContact O-N 3.27Å; W282-I284 VanDerWaalsContact C-N 3.33Å; W282-I284 PolarHBondContact O-N 2.95Å; W282-E285 PolarHBondContact O-N 3.14Å; W282-M286 WeakPolarHBondContact O-CB 3.24Å; W282-M286 WeakPolarHBondContact O-CG 3.42Å; W282-M286 PolarHBondContact O-N 3.22Å
283D94.6Very high93.9Very high105 Ų10591.7 Ų91.756%0.56146%0.458SS*.Hα-helixtrans-62.3-41.3175-70.1-28000111.5V279 A280 L281 M286 S287V279-D283 PolarHBondContact O-N 3.16Å; A280-D283 PolarHBondContact O-N 2.99Å; L281-D283 VanDerWaalsContact C-N 3.32Å; L281-D283 PolarHBondContact O-N 2.95Å; D283-M286 PolarHBondContact O-N 3.24Å; D283-S287 PolarHBondContact O-N 3.02Å
284I91.5Very high93.8Very high54 Ų5493.4 Ų93.428%0.27746%0.463SS..Hα-helixtrans-64.2-43.8175.3-68.7162.8000110.8P270 A280 L281 W282 M286 S287P270-I284 HydrophobicContact CG-CD1 4.41Å; A280-I284 WeakPolarHBondContact O-CD1 3.45Å; A280-I284 WeakPolarHBondContact O-CG1 3.17Å; A280-I284 PolarHBondContact O-N 2.97Å; L281-I284 WeakPolarHBondContact O-CB 3.41Å; L281-I284 PolarHBondContact O-N 3.32Å; W282-I284 VanDerWaalsContact C-N 3.33Å; W282-I284 PolarHBondContact O-N 2.95Å; I284-M286 VanDerWaalsContact C-N 3.34Å; I284-M286 PolarHBondContact O-N 2.97Å; I284-S287 WeakPolarHBondContact O-CB 3.38Å; I284-S287 PolarHBondContact O-N 2.89Å
285E90.9Very high93.8Very high112 Ų11283.9 Ų83.952%0.52343%0.427SS..Hα-helixtrans-66.7-34178.8-73.4-174159.200112.8L281 W282 S287 R294L281-E285 HydrophobicContact CD1-CG 4.29Å; L281-E285 WeakPolarHBondContact O-CG 3.48Å; L281-E285 PolarHBondContact O-N 2.64Å; W282-E285 PolarHBondContact O-N 3.14Å; E285-S287 VanDerWaalsContact C-N 3.32Å; E285-R294 PolarHBondContact O-NH1 3.22Å
286M91.6Very high93.8Very high160 Ų16081.2 Ų81.279%0.78841%0.41SS*.Hα-helixtrans-81.3-10.5176-72.5-173.155.800114W282 D283 I284W282-M286 WeakPolarHBondContact O-CB 3.24Å; W282-M286 WeakPolarHBondContact O-CG 3.42Å; W282-M286 PolarHBondContact O-N 3.22Å; D283-M286 PolarHBondContact O-N 3.24Å; I284-M286 VanDerWaalsContact C-N 3.34Å; I284-M286 PolarHBondContact O-N 2.97Å
287S92.3Very high93.8Very high42 Ų4283.2 Ų83.229%0.29441%0.41SS..  trans-58.1147.8-179.3-176.60000112.4D283 I284 E285 E289 R294D283-S287 PolarHBondContact O-N 3.02Å; I284-S287 WeakPolarHBondContact O-CB 3.38Å; I284-S287 PolarHBondContact O-N 2.89Å; E285-S287 VanDerWaalsContact C-N 3.32Å; S287-E289 VanDerWaalsContact C-N 3.26Å; S287-E289 PolarHBondContact OG-N 3.38Å; S287-E289 PolarHBondContact OG-O 2.88Å; S287-R294 PolarHBondContact O-NH1 3.42Å
288K91.8Very high93.9Very high189 Ų18976.1 Ų76.182%0.82237%0.372SS*.SBendtrans-75.4-18.1168.4-67.4-174.4178.9-178.30112.4P290K288-P290 WeakPolarHBondContact O-CD 3.11Å
289E91.5Very high94Very high160 Ų16073.9 Ų73.975%0.74837%0.366SS*.SBendtrans-96.3102.1171.8-67-177.8-177.500108.5S287S287-E289 VanDerWaalsContact C-N 3.26Å; S287-E289 PolarHBondContact OG-N 3.38Å; S287-E289 PolarHBondContact OG-O 2.88Å
290P92.2Very high94Very high30 Ų3072.3 Ų72.320%0.19535%0.354CS..  trans-74.3143.5-172.332.7-35.2000110.5K288 R294 V295 W298 V310K288-P290 WeakPolarHBondContact O-CD 3.11Å; P290-R294 HydrophobicContact CB-CB 4.38Å; P290-R294 HydrophobicContact CB-CG 4.28Å; P290-V295 HydrophobicContact CB-CG2 3.83Å; P290-V295 HydrophobicContact CG-CG2 3.62Å; P290-W298 HydrophobicContact CB-CH2 4.09Å; P290-W298 HydrophobicContact CB-CZ2 3.96Å; P290-W298 HydrophobicContact CG-CH2 3.76Å; P290-W298 HydrophobicContact CG-CZ2 4.15Å; P290-V310 HydrophobicContact CG-CG1 4.07Å
291S91.9Very high94.1Very high40 Ų4072.5 Ų72.528%0.2835%0.353SS..  trans-67.8159.7171.171.80000111.2Q293 R294 V295S291-Q293 VanDerWaalsContact C-N 3.25Å; S291-Q293 PolarHBondContact O-N 3.29Å; S291-R294 WeakPolarHBondContact O-CB 3.22Å; S291-R294 PolarHBondContact O-N 3.5Å; S291-R294 VanDerWaalsContact O-N 3.11Å; S291-R294 WeakPolarHBondContact OG-CB 3.48Å; S291-R294 PolarHBondContact OG-N 3.06Å; S291-V295 WeakPolarHBondContact O-CG2 3.39Å; S291-V295 PolarHBondContact O-N 2.96Å
292Q92.3Very high94.3Very high97 Ų9771.5 Ų71.545%0.45335%0.348SS..Hα-helixtrans-57.1-39.8176.5-174.5178.437.600112.3V295 K296 L416Q292-V295 PolarHBondContact O-N 3.48Å; Q292-K296 WeakPolarHBondContact O-CB 3.44Å; Q292-K296 PolarHBondContact O-N 2.72Å; Q292-L416 WeakPolarHBondContact CG-O 3.12Å; Q292-L416 PolarHBondContact NE2-O 2.87Å
293Q92.2Very high94.4Very high87 Ų8769.5 Ų69.541%0.40734%0.344SS..Hα-helixtrans-63.4-45.2176.3-72.5-179.7-14.300111.2Y261 S291 V295 K296 R297Y261-Q293 HydrophobicContact CE1-CB 3.98Å; Y261-Q293 WeakPolarHBondContact CE1-O 3.34Å; Y261-Q293 PolarHBondContact OH-O 3.24Å; Y261-Q293 VanDerWaalsContact OH-O 3.1Å; S291-Q293 VanDerWaalsContact C-N 3.25Å; S291-Q293 PolarHBondContact O-N 3.29Å; Q293-V295 VanDerWaalsContact C-N 3.32Å; Q293-V295 PolarHBondContact O-N 3.19Å; Q293-K296 PolarHBondContact O-N 3.1Å; Q293-R297 PolarHBondContact O-N 3.32Å
294R94.8Very high94.6Very high45 Ų4564.9 Ų64.917%0.1732%0.32CS..Hα-helixtrans-59.8-41.9176.6-174.4172.2173.1-157.5-9111.8E285 S287 P290 S291 R297 W298 D308E285-R294 PolarHBondContact O-NH1 3.22Å; S287-R294 PolarHBondContact O-NH1 3.42Å; P290-R294 HydrophobicContact CB-CB 4.38Å; P290-R294 HydrophobicContact CB-CG 4.28Å; S291-R294 WeakPolarHBondContact O-CB 3.22Å; S291-R294 PolarHBondContact O-N 3.5Å; S291-R294 VanDerWaalsContact O-N 3.11Å; S291-R294 WeakPolarHBondContact OG-CB 3.48Å; S291-R294 PolarHBondContact OG-N 3.06Å; R294-R297 WeakPolarHBondContact O-CB 3.38Å; R294-R297 PolarHBondContact O-N 2.98Å; R294-W298 VanDerWaalsContact O-CD1 3.26Å; R294-W298 PolarHBondContact O-NE1 2.83Å; R294-D308 WeakPolarHBondContact CG-OD2 3.46Å; R294-D308 IonicContact CZ-OD1 3.81Å; R294-D308 IonicContact CZ-OD2 2.72Å; R294-D308 IonicContact NE-OD1 3.11Å; R294-D308 IonicContact NE-OD2 2.81Å; R294-D308 PolarHBondContact NE-OD2 3.17Å; R294-D308 VanDerWaalsContact NH2-CG 3.34Å; R294-D308 IonicContact NH2-OD1 2.93Å; R294-D308 PolarHBondContact NH2-OD1 3.23Å; R294-D308 IonicContact NH2-OD2 3.36Å; R294-D308 PolarHBondContact NH2-OD2 3.1Å
295V96.5Very high94.9Very high1 Ų162.3 Ų62.31%0.00631%0.306CS..Hα-helixtrans-66.3-45.7175178.50000111.8P290 S291 Q292 Q293 R297 W298 Y412 L415 L416P290-V295 HydrophobicContact CB-CG2 3.83Å; P290-V295 HydrophobicContact CG-CG2 3.62Å; S291-V295 WeakPolarHBondContact O-CG2 3.39Å; S291-V295 PolarHBondContact O-N 2.96Å; Q292-V295 PolarHBondContact O-N 3.48Å; Q293-V295 VanDerWaalsContact C-N 3.32Å; Q293-V295 PolarHBondContact O-N 3.19Å; V295-R297 PolarHBondContact O-N 3.31Å; V295-W298 HydrophobicContact CB-CE3 4.3Å; V295-W298 HydrophobicContact CB-CZ3 4.4Å; V295-W298 HydrophobicContact CG1-CE3 3.95Å; V295-W298 HydrophobicContact CG1-CZ3 4.12Å; V295-W298 HydrophobicContact CG2-CE3 4.32Å; V295-W298 HydrophobicContact CG2-CH2 4.01Å; V295-W298 HydrophobicContact CG2-CZ2 4.43Å; V295-W298 HydrophobicContact CG2-CZ3 3.94Å; V295-W298 VanDerWaalsContact O-CB 3.29Å; V295-W298 WeakPolarHBondContact O-CB 3.25Å; V295-W298 PolarHBondContact O-N 3.08Å; V295-Y412 HydrophobicContact CG1-CD2 4.2Å; V295-Y412 HydrophobicContact CG1-CE2 3.73Å; V295-Y412 PolarHBondContact O-OH 3.33Å; V295-L415 HydrophobicContact CG1-CB 4.03Å; V295-L415 HydrophobicContact CG2-CB 4.41Å; V295-L416 HydrophobicContact CG1-CB 4.27Å; V295-L416 HydrophobicContact CG1-CD1 4.3Å
296K96.3Very high95.2Very high86 Ų8657.3 Ų57.337%0.37428%0.283SS..Hα-helixtrans-54.8-39.4177.3-179.4-176.5173.9-166.50111.2E260 Q292 Q293 W298 G299 F300 L416E260-K296 IonicContact OE2-NZ 3.8Å; E260-K296 PolarHBondContact OE2-NZ 3.16Å; Q292-K296 WeakPolarHBondContact O-CB 3.44Å; Q292-K296 PolarHBondContact O-N 2.72Å; Q293-K296 PolarHBondContact O-N 3.1Å; K296-W298 VanDerWaalsContact C-N 3.31Å; K296-W298 PolarHBondContact O-N 3.07Å; K296-G299 PolarHBondContact O-N 2.92Å; K296-G299 VanDerWaalsContact O-N 3.14Å; K296-F300 HydrophobicContact CG-CE1 4.25Å; K296-L416 HydrophobicContact CB-CD1 3.88Å
297R97.1Very high95.4Very high94 Ų9456 Ų5636%0.35527%0.273SS..Hα-helixtrans-63.5-32.5178.2-172.5173.8168.2174.1-0.6113.3Y258 Y261 Q293 R294 V295 G299 F300 E304Y258-R297 HydrophobicContact CE1-CG 4.28Å; Y261-R297 HydrophobicContact CE1-CB 3.86Å; Y261-R297 HydrophobicContact CE1-CG 4.4Å; Q293-R297 PolarHBondContact O-N 3.32Å; R294-R297 WeakPolarHBondContact O-CB 3.38Å; R294-R297 PolarHBondContact O-N 2.98Å; V295-R297 PolarHBondContact O-N 3.31Å; R297-G299 PolarHBondContact O-N 2.77Å; R297-F300 HydrophobicContact CB-CD2 4.44Å; R297-F300 HydrophobicContact CB-CE2 4.5Å; R297-F300 HydrophobicContact CG-CD2 4Å; R297-F300 HydrophobicContact CG-CE2 4.31Å; R297-F300 VanDerWaalsContact O-CB 3.31Å; R297-F300 WeakPolarHBondContact O-CB 3.5Å; R297-F300 WeakPolarHBondContact O-CG 3.36Å; R297-F300 PolarHBondContact O-N 2.84Å; R297-E304 HydrophobicContact CG-CG 4.33Å; R297-E304 IonicContact CZ-OE2 2.82Å; R297-E304 IonicContact NE-OE2 3.98Å; R297-E304 PolarHBondContact NE-OE2 2.96Å; R297-E304 IonicContact NH2-OE2 3.72Å; R297-E304 PolarHBondContact NH2-OE2 2.87Å; R297-E304 WeakPolarHBondContact O-CB 3.5Å
298W97.8Very high95.7Very high2 Ų255.2 Ų55.21%0.00827%0.265CS..Hα-helixtrans-59.6-28.1174.7-58.1-17.6000112.6P290 R294 V295 K296 F300 I305 D308 V310 Q314 Y403 Y412 L415P290-W298 HydrophobicContact CB-CH2 4.09Å; P290-W298 HydrophobicContact CB-CZ2 3.96Å; P290-W298 HydrophobicContact CG-CH2 3.76Å; P290-W298 HydrophobicContact CG-CZ2 4.15Å; R294-W298 VanDerWaalsContact O-CD1 3.26Å; R294-W298 PolarHBondContact O-NE1 2.83Å; V295-W298 HydrophobicContact CB-CE3 4.3Å; V295-W298 HydrophobicContact CB-CZ3 4.4Å; V295-W298 HydrophobicContact CG1-CE3 3.95Å; V295-W298 HydrophobicContact CG1-CZ3 4.12Å; V295-W298 HydrophobicContact CG2-CE3 4.32Å; V295-W298 HydrophobicContact CG2-CH2 4.01Å; V295-W298 HydrophobicContact CG2-CZ2 4.43Å; V295-W298 HydrophobicContact CG2-CZ3 3.94Å; V295-W298 VanDerWaalsContact O-CB 3.29Å; V295-W298 WeakPolarHBondContact O-CB 3.25Å; V295-W298 PolarHBondContact O-N 3.08Å; K296-W298 VanDerWaalsContact C-N 3.31Å; K296-W298 PolarHBondContact O-N 3.07Å; W298-F300 VanDerWaalsContact C-N 3.29Å; W298-F300 PolarHBondContact O-N 3.23Å; W298-I305 HydrophobicContact CB-CB 4.01Å; W298-I305 HydrophobicContact CB-CD1 4.46Å; W298-I305 HydrophobicContact CB-CG1 4.26Å; W298-I305 HydrophobicContact CG-CB 4.4Å; W298-I305 HydrophobicContact CG-CG1 4.36Å; W298-D308 PolarHBondContact NE1-OD2 3.22Å; W298-V310 HydrophobicContact CH2-CB 4.37Å; W298-V310 HydrophobicContact CH2-CG1 3.94Å; W298-V310 HydrophobicContact CZ2-CB 4.12Å; W298-V310 HydrophobicContact CZ2-CG1 4.18Å; W298-Q314 HydrophobicContact CH2-CG 4.36Å; W298-Q314 HydrophobicContact CZ3-CG 4.36Å; W298-Y403 PolarHBondContact O-OH 2.97Å; W298-Y412 HydrophobicContact CB-CE2 4.39Å; W298-Y412 HydrophobicContact CE3-CE2 4.38Å; W298-L415 HydrophobicContact CZ3-CD1 4.19Å
299G97.3Very high95.9Very high26 Ų2651 Ų5127%0.26825%0.249SC..THydrogen-bonded Turntrans-75.5-10.817700000114.9K296 R297 Y403K296-G299 PolarHBondContact O-N 2.92Å; K296-G299 VanDerWaalsContact O-N 3.14Å; R297-G299 PolarHBondContact O-N 2.77Å; G299-Y403 VanDerWaalsContact C-OH 3.3Å; G299-Y403 WeakPolarHBondContact CA-OH 3.45Å; G299-Y403 PolarHBondContact O-OH 3.39Å
300F97.4Very high96.1Very high40 Ų4044 Ų4418%0.17522%0.217CC..THydrogen-bonded Turntrans-72-39.6-176-67.9-4.9000112.4Q257 Y258 Y261 K296 R297 W298 E304Q257-F300 HydrophobicContact CG-CD1 4.07Å; Q257-F300 HydrophobicContact CG-CD2 3.73Å; Q257-F300 HydrophobicContact CG-CE1 4.07Å; Q257-F300 HydrophobicContact CG-CE2 3.73Å; Q257-F300 HydrophobicContact CG-CG 3.89Å; Q257-F300 HydrophobicContact CG-CZ 3.87Å; Q257-F300 VanDerWaalsContact NE2-CD1 3.26Å; Q257-F300 VanDerWaalsContact NE2-CG 3.27Å; Q257-F300 VanDerWaalsContact O-CE2 3.29Å; Q257-F300 WeakPolarHBondContact O-CE2 3.4Å; Q257-F300 WeakPolarHBondContact O-CZ 3.28Å; Y258-F300 HydrophobicContact CD1-CD2 4.21Å; Y258-F300 HydrophobicContact CD1-CE2 4.32Å; Y258-F300 AromaticContact CE1-CD2 3.72Å; Y258-F300 HydrophobicContact CE1-CD2 3.72Å; Y258-F300 HydrophobicContact CE1-CE2 4.27Å; Y258-F300 HydrophobicContact CE2-CD2 4.05Å; Y258-F300 AromaticContact CZ-CD2 3.63Å; Y261-F300 HydrophobicContact CD2-CE2 4.01Å; Y261-F300 HydrophobicContact CD2-CZ 4.44Å; Y261-F300 AromaticContact CE2-CE2 3.44Å; Y261-F300 HydrophobicContact CE2-CE2 3.44Å; Y261-F300 VanDerWaalsContact CE2-CE2 3.44Å; Y261-F300 AromaticContact CE2-CZ 3.49Å; Y261-F300 HydrophobicContact CE2-CZ 3.49Å; Y261-F300 VanDerWaalsContact CE2-CZ 3.49Å; Y261-F300 AromaticContact CZ-CE2 3.97Å; Y261-F300 AromaticContact CZ-CZ 3.94Å; K296-F300 HydrophobicContact CG-CE1 4.25Å; R297-F300 HydrophobicContact CB-CD2 4.44Å; R297-F300 HydrophobicContact CB-CE2 4.5Å; R297-F300 HydrophobicContact CG-CD2 4Å; R297-F300 HydrophobicContact CG-CE2 4.31Å; R297-F300 VanDerWaalsContact O-CB 3.31Å; R297-F300 WeakPolarHBondContact O-CB 3.5Å; R297-F300 WeakPolarHBondContact O-CG 3.36Å; R297-F300 PolarHBondContact O-N 2.84Å; W298-F300 VanDerWaalsContact C-N 3.29Å; W298-F300 PolarHBondContact O-N 3.23Å; F300-E304 HydrophobicContact CB-CG 4.3Å
301S97.6Very high96.4Very high32 Ų3242.6 Ų42.622%0.22421%0.208CC..  trans-161.1158.4175.5740000110.8D303 E304 Y403S301-D303 PolarHBondContact O-N 3.15Å; S301-D303 PolarHBondContact OG-N 3.47Å; S301-E304 PolarHBondContact O-N 3.25Å; S301-E304 PolarHBondContact OG-N 3.34Å; S301-Y403 PolarHBondContact N-OH 3.03Å; S301-Y403 PolarHBondContact O-OH 3.23Å
302F98.3Very high96.7Very high0 Ų043 Ų430%020%0.203CC..Hα-helixtrans-59.3-29.6174.6-171.8-137.9000112.3E304 I305 L306 F315 Y395 M398 K399 Y403F302-E304 VanDerWaalsContact C-N 3.34Å; F302-E304 PolarHBondContact O-N 3.37Å; F302-I305 HydrophobicContact CD2-CG2 3.75Å; F302-I305 HydrophobicContact CE2-CG2 4.27Å; F302-I305 WeakPolarHBondContact O-CG2 3.45Å; F302-L306 HydrophobicContact CD1-CD1 3.81Å; F302-L306 HydrophobicContact CD2-CD1 4.33Å; F302-L306 HydrophobicContact CD2-CG 4.2Å; F302-L306 HydrophobicContact CE1-CD1 3.55Å; F302-L306 HydrophobicContact CE1-CG 4.32Å; F302-L306 HydrophobicContact CE2-CD1 4.07Å; F302-L306 HydrophobicContact CE2-CD2 4.1Å; F302-L306 HydrophobicContact CE2-CG 3.93Å; F302-L306 HydrophobicContact CG-CD1 4.21Å; F302-L306 HydrophobicContact CG-CG 4.5Å; F302-L306 HydrophobicContact CZ-CD1 3.68Å; F302-L306 HydrophobicContact CZ-CD2 4.07Å; F302-L306 HydrophobicContact CZ-CG 4Å; F302-L306 WeakPolarHBondContact O-CB 3.26Å; F302-L306 VanDerWaalsContact O-CG 3.27Å; F302-L306 WeakPolarHBondContact O-CG 3.43Å; F302-L306 PolarHBondContact O-N 3.2Å; F302-L306 VanDerWaalsContact O-N 3.12Å; F302-F315 HydrophobicContact CE2-CD1 4.2Å; F302-F315 AromaticContact CE2-CE1 3.52Å; F302-F315 HydrophobicContact CE2-CE1 3.52Å; F302-F315 AromaticContact CE2-CZ 3.86Å; F302-F315 HydrophobicContact CE2-CZ 3.86Å; F302-F315 AromaticContact CZ-CE1 3.92Å; F302-F315 HydrophobicContact CZ-CE1 3.92Å; F302-F315 HydrophobicContact CZ-CZ 4.37Å; F302-Y395 AromaticContact CD1-CD2 3.86Å; F302-Y395 HydrophobicContact CD1-CD2 3.86Å; F302-Y395 HydrophobicContact CD1-CE1 4.34Å; F302-Y395 AromaticContact CD1-CE2 3.48Å; F302-Y395 HydrophobicContact CD1-CE2 3.48Å; F302-Y395 VanDerWaalsContact CD1-CE2 3.48Å; F302-Y395 HydrophobicContact CD1-CG 4.46Å; F302-Y395 AromaticContact CD1-CZ 3.74Å; F302-Y395 AromaticContact CE1-CD2 3.73Å; F302-Y395 HydrophobicContact CE1-CD2 3.73Å; F302-Y395 AromaticContact CE1-CE2 3.84Å; F302-Y395 HydrophobicContact CE1-CE2 3.84Å; F302-Y395 HydrophobicContact CE1-CG 4.29Å; F302-M398 HydrophobicContact CE1-CB 3.86Å; F302-M398 HydrophobicContact CE1-CE 4.3Å; F302-M398 HydrophobicContact CE2-CB 4.44Å; F302-M398 HydrophobicContact CZ-CB 3.53Å; F302-M398 HydrophobicContact CZ-CE 4Å; F302-M398 HydrophobicContact CZ-SD 4.33Å; F302-K399 HydrophobicContact CB-CB 4.32Å; F302-K399 HydrophobicContact CB-CD 4.23Å; F302-K399 HydrophobicContact CB-CG 3.92Å; F302-K399 HydrophobicContact CD1-CB 3.6Å; F302-K399 HydrophobicContact CD1-CD 4.39Å; F302-K399 HydrophobicContact CD1-CG 4.11Å; F302-K399 HydrophobicContact CE1-CB 4.15Å; F302-K399 HydrophobicContact CG-CB 4.14Å; F302-K399 HydrophobicContact CG-CG 4.3Å; F302-Y403 HydrophobicContact CB-CD1 3.93Å; F302-Y403 HydrophobicContact CB-CD2 4.49Å; F302-Y403 HydrophobicContact CB-CE1 4.1Å; F302-Y403 HydrophobicContact CB-CG 4.13Å; F302-Y403 HydrophobicContact CD2-CD1 4.19Å; F302-Y403 AromaticContact CD2-CD2 3.57Å; F302-Y403 HydrophobicContact CD2-CD2 3.57Å; F302-Y403 HydrophobicContact CD2-CE2 4.26Å; F302-Y403 AromaticContact CD2-CG 3.52Å; F302-Y403 HydrophobicContact CD2-CG 3.52Å; F302-Y403 HydrophobicContact CE2-CD2 4.29Å; F302-Y403 HydrophobicContact CE2-CG 4.26Å; F302-Y403 HydrophobicContact CG-CD1 4.37Å; F302-Y403 HydrophobicContact CG-CD2 4.46Å; F302-Y403 HydrophobicContact CG-CG 4.12Å
303D97.6Very high96.9Very high57 Ų5741.3 Ų41.331%0.30520%0.197SC..Hα-helixtrans-68.3-32.4176.2-58.8-68.2000112.5S301 L306 K307 Y395S301-D303 PolarHBondContact O-N 3.15Å; S301-D303 PolarHBondContact OG-N 3.47Å; D303-L306 PolarHBondContact O-N 2.94Å; D303-K307 WeakPolarHBondContact O-CB 3.46Å; D303-K307 WeakPolarHBondContact O-CD 3.5Å; D303-K307 WeakPolarHBondContact O-CG 3.45Å; D303-K307 PolarHBondContact O-N 3.44Å; D303-Y395 PolarHBondContact OD1-OH 2.68Å; D303-Y395 PolarHBondContact OD2-OH 2.73Å
304E98Very high97.1Very high9 Ų939.2 Ų39.24%0.04219%0.187CC..Hα-helixtrans-66.8-45.3179.2-71-53.8112.900111.8Y258 R297 F300 S301 F302 L306 K307 D308Y258-E304 HydrophobicContact CE1-CG 4.45Å; Y258-E304 VanDerWaalsContact OH-CD 3.3Å; Y258-E304 WeakPolarHBondContact OH-CG 3.32Å; R297-E304 HydrophobicContact CG-CG 4.33Å; R297-E304 IonicContact CZ-OE2 2.82Å; R297-E304 IonicContact NE-OE2 3.98Å; R297-E304 PolarHBondContact NE-OE2 2.96Å; R297-E304 IonicContact NH2-OE2 3.72Å; R297-E304 PolarHBondContact NH2-OE2 2.87Å; R297-E304 WeakPolarHBondContact O-CB 3.5Å; F300-E304 HydrophobicContact CB-CG 4.3Å; S301-E304 PolarHBondContact O-N 3.25Å; S301-E304 PolarHBondContact OG-N 3.34Å; F302-E304 VanDerWaalsContact C-N 3.34Å; F302-E304 PolarHBondContact O-N 3.37Å; E304-L306 VanDerWaalsContact C-N 3.33Å; E304-L306 PolarHBondContact O-N 2.92Å; E304-K307 PolarHBondContact O-N 3Å; E304-K307 IonicContact OE1-NZ 3.73Å; E304-K307 PolarHBondContact OE1-NZ 3.42Å; E304-D308 PolarHBondContact O-N 3Å
305I97.8Very high97.3Very high0 Ų037.1 Ų37.10%018%0.179CC..Hα-helixtrans-66.5-36.5175.5-168.6168.7000112W298 F302 K307 D308 G311 R312 F315 Y403 F406W298-I305 HydrophobicContact CB-CB 4.01Å; W298-I305 HydrophobicContact CB-CD1 4.46Å; W298-I305 HydrophobicContact CB-CG1 4.26Å; W298-I305 HydrophobicContact CG-CB 4.4Å; W298-I305 HydrophobicContact CG-CG1 4.36Å; F302-I305 HydrophobicContact CD2-CG2 3.75Å; F302-I305 HydrophobicContact CE2-CG2 4.27Å; F302-I305 WeakPolarHBondContact O-CG2 3.45Å; I305-K307 VanDerWaalsContact C-N 3.35Å; I305-K307 PolarHBondContact O-N 3.35Å; I305-D308 PolarHBondContact O-N 3.39Å; I305-G311 WeakPolarHBondContact CG1-O 3.29Å; I305-R312 PolarHBondContact O-N 3.43Å; I305-F315 HydrophobicContact CD1-CB 3.77Å; I305-F315 HydrophobicContact CD1-CD2 4.48Å; I305-F315 HydrophobicContact CD1-CG 4.2Å; I305-F315 HydrophobicContact CG1-CB 4.35Å; I305-Y403 HydrophobicContact CB-CE2 4.4Å; I305-Y403 HydrophobicContact CG2-CD2 3.87Å; I305-Y403 HydrophobicContact CG2-CE2 3.64Å; I305-F406 HydrophobicContact CD1-CD1 3.7Å; I305-F406 HydrophobicContact CD1-CE1 3.22Å; I305-F406 HydrophobicContact CD1-CZ 3.86Å
306L97.6Very high97.4Very high7 Ų738.9 Ų38.94%0.03719%0.189CC..Hα-helixtrans-72.5-24.7178.3-72.4-179.6000113.4F302 D303 E304 R312 L328 W331 Y395F302-L306 HydrophobicContact CD1-CD1 3.81Å; F302-L306 HydrophobicContact CD2-CD1 4.33Å; F302-L306 HydrophobicContact CD2-CG 4.2Å; F302-L306 HydrophobicContact CE1-CD1 3.55Å; F302-L306 HydrophobicContact CE1-CG 4.32Å; F302-L306 HydrophobicContact CE2-CD1 4.07Å; F302-L306 HydrophobicContact CE2-CD2 4.1Å; F302-L306 HydrophobicContact CE2-CG 3.93Å; F302-L306 HydrophobicContact CG-CD1 4.21Å; F302-L306 HydrophobicContact CG-CG 4.5Å; F302-L306 HydrophobicContact CZ-CD1 3.68Å; F302-L306 HydrophobicContact CZ-CD2 4.07Å; F302-L306 HydrophobicContact CZ-CG 4Å; F302-L306 WeakPolarHBondContact O-CB 3.26Å; F302-L306 VanDerWaalsContact O-CG 3.27Å; F302-L306 WeakPolarHBondContact O-CG 3.43Å; F302-L306 PolarHBondContact O-N 3.2Å; F302-L306 VanDerWaalsContact O-N 3.12Å; D303-L306 PolarHBondContact O-N 2.94Å; E304-L306 VanDerWaalsContact C-N 3.33Å; E304-L306 PolarHBondContact O-N 2.92Å; L306-R312 VanDerWaalsContact O-CD 3.27Å; L306-R312 WeakPolarHBondContact O-CD 3.42Å; L306-R312 WeakPolarHBondContact O-CG 3.28Å; L306-R312 PolarHBondContact O-NH1 2.92Å; L306-L328 HydrophobicContact CD2-CD1 3.6Å; L306-W331 HydrophobicContact CB-CH2 4.21Å; L306-W331 HydrophobicContact CB-CZ3 4.37Å; L306-W331 HydrophobicContact CD1-CE3 4.45Å; L306-W331 HydrophobicContact CD1-CH2 3.82Å; L306-W331 HydrophobicContact CD1-CZ2 3.91Å; L306-W331 HydrophobicContact CD1-CZ3 4.1Å; L306-W331 HydrophobicContact CD2-CE3 4.37Å; L306-W331 HydrophobicContact CD2-CZ3 4.15Å; L306-W331 HydrophobicContact CG-CH2 4.47Å; L306-W331 HydrophobicContact CG-CZ3 4.45Å; L306-Y395 HydrophobicContact CD1-CD2 4.01Å; L306-Y395 HydrophobicContact CD1-CE2 3.8Å
307K96.4Very high97.4Very high133 Ų13341.4 Ų41.458%0.57820%0.196SC*.Hα-helixtrans-76.5-35.8173.7-73.6166.5-160.41650111.9D303 E304 I305 R312D303-K307 WeakPolarHBondContact O-CB 3.46Å; D303-K307 WeakPolarHBondContact O-CD 3.5Å; D303-K307 WeakPolarHBondContact O-CG 3.45Å; D303-K307 PolarHBondContact O-N 3.44Å; E304-K307 PolarHBondContact O-N 3Å; E304-K307 IonicContact OE1-NZ 3.73Å; E304-K307 PolarHBondContact OE1-NZ 3.42Å; I305-K307 VanDerWaalsContact C-N 3.35Å; I305-K307 PolarHBondContact O-N 3.35Å; K307-R312 PolarHBondContact O-NH1 3.18Å
308D97.2Very high97.5Very high24 Ų2437.8 Ų37.813%0.12818%0.183CC..  trans-77.3125.6-178.4-166.9-53.7000112.3R294 W298 E304 I305 V310 G311 R312R294-D308 WeakPolarHBondContact CG-OD2 3.46Å; R294-D308 IonicContact CZ-OD1 3.81Å; R294-D308 IonicContact CZ-OD2 2.72Å; R294-D308 IonicContact NE-OD1 3.11Å; R294-D308 IonicContact NE-OD2 2.81Å; R294-D308 PolarHBondContact NE-OD2 3.17Å; R294-D308 VanDerWaalsContact NH2-CG 3.34Å; R294-D308 IonicContact NH2-OD1 2.93Å; R294-D308 PolarHBondContact NH2-OD1 3.23Å; R294-D308 IonicContact NH2-OD2 3.36Å; R294-D308 PolarHBondContact NH2-OD2 3.1Å; W298-D308 PolarHBondContact NE1-OD2 3.22Å; E304-D308 PolarHBondContact O-N 3Å; I305-D308 PolarHBondContact O-N 3.39Å; D308-V310 WeakPolarHBondContact OD1-CA 3.41Å; D308-V310 PolarHBondContact OD1-N 2.8Å; D308-G311 PolarHBondContact O-N 2.92Å; D308-G311 PolarHBondContact OD1-N 3.34Å; D308-R312 WeakPolarHBondContact O-CG 3.37Å; D308-R312 PolarHBondContact O-N 2.86Å
309Q96.1Very high97.4Very high100 Ų10037.7 Ų37.747%0.46718%0.182SC..Hα-helixtrans-62.5-44.8178.6-178.9635600112.9G311 R312 D313Q309-G311 VanDerWaalsContact C-N 3.33Å; Q309-R312 PolarHBondContact O-N 3.5Å; Q309-D313 PolarHBondContact NE2-OD1 3.01Å; Q309-D313 PolarHBondContact O-N 3.37Å
310V96.8Very high97.4Very high14 Ų1441 Ų419%0.08519%0.191CC..Hα-helixtrans-70.1-37.6179.9-177.80000109.6P290 W298 D308 D313 Q314P290-V310 HydrophobicContact CG-CG1 4.07Å; W298-V310 HydrophobicContact CH2-CB 4.37Å; W298-V310 HydrophobicContact CH2-CG1 3.94Å; W298-V310 HydrophobicContact CZ2-CB 4.12Å; W298-V310 HydrophobicContact CZ2-CG1 4.18Å; D308-V310 WeakPolarHBondContact OD1-CA 3.41Å; D308-V310 PolarHBondContact OD1-N 2.8Å; V310-D313 PolarHBondContact O-N 3.21Å; V310-Q314 HydrophobicContact CG1-CG 4.44Å; V310-Q314 WeakPolarHBondContact O-CG 3.26Å; V310-Q314 PolarHBondContact O-N 3.32Å
311G97.3Very high97.3Very high0 Ų043.1 Ų43.10%021%0.21CC..Hα-helixtrans-57.8-48.317300000112.3I305 D308 Q309 D313 Q314 F315I305-G311 WeakPolarHBondContact CG1-O 3.29Å; D308-G311 PolarHBondContact O-N 2.92Å; D308-G311 PolarHBondContact OD1-N 3.34Å; Q309-G311 VanDerWaalsContact C-N 3.33Å; G311-D313 PolarHBondContact O-N 3.06Å; G311-Q314 PolarHBondContact O-N 3.17Å; G311-F315 WeakPolarHBondContact O-CB 3.47Å; G311-F315 PolarHBondContact O-N 2.66Å
312R97.9Very high97.2Very high50 Ų5044.9 Ų44.919%0.18922%0.215CC..Hα-helixtrans-57.4-45.5173.7-75.2-168.5-63.3-90.33.6112.4I305 L306 K307 D308 Q309 Q314 F315 L316I305-R312 PolarHBondContact O-N 3.43Å; L306-R312 VanDerWaalsContact O-CD 3.27Å; L306-R312 WeakPolarHBondContact O-CD 3.42Å; L306-R312 WeakPolarHBondContact O-CG 3.28Å; L306-R312 PolarHBondContact O-NH1 2.92Å; K307-R312 PolarHBondContact O-NH1 3.18Å; D308-R312 WeakPolarHBondContact O-CG 3.37Å; D308-R312 PolarHBondContact O-N 2.86Å; Q309-R312 PolarHBondContact O-N 3.5Å; R312-Q314 PolarHBondContact O-N 2.95Å; R312-F315 PolarHBondContact O-N 3.22Å; R312-L316 VanDerWaalsContact O-CB 3.31Å; R312-L316 WeakPolarHBondContact O-CB 3.4Å; R312-L316 PolarHBondContact O-N 3.41Å
313D97.3Very high96.9Very high61 Ų6153.5 Ų53.533%0.32625%0.253SS..Hα-helixtrans-64.2-41.7-178.6-64.5-13.8000111.4Q309 V310 G311 L316 R317Q309-D313 PolarHBondContact NE2-OD1 3.01Å; Q309-D313 PolarHBondContact O-N 3.37Å; V310-D313 PolarHBondContact O-N 3.21Å; G311-D313 PolarHBondContact O-N 3.06Å; D313-L316 PolarHBondContact O-N 3.44Å; D313-R317 WeakPolarHBondContact O-CG 3.44Å; D313-R317 PolarHBondContact O-N 2.93Å
314Q97.3Very high96.7Very high43 Ų4351.6 Ų51.620%0.20124%0.244CC..Hα-helixtrans-68.8-40.2176.8-63.9-62.6-0.800112W298 V310 G311 R312 R317 F318 F406 L415W298-Q314 HydrophobicContact CH2-CG 4.36Å; W298-Q314 HydrophobicContact CZ3-CG 4.36Å; V310-Q314 HydrophobicContact CG1-CG 4.44Å; V310-Q314 WeakPolarHBondContact O-CG 3.26Å; V310-Q314 PolarHBondContact O-N 3.32Å; G311-Q314 PolarHBondContact O-N 3.17Å; R312-Q314 PolarHBondContact O-N 2.95Å; Q314-R317 VanDerWaalsContact CD-NH1 3.35Å; Q314-R317 VanDerWaalsContact NE2-NH1 3.14Å; Q314-R317 PolarHBondContact O-N 3.44Å; Q314-R317 VanDerWaalsContact OE1-NH1 3.16Å; Q314-F318 PolarHBondContact O-N 3.26Å; Q314-F318 VanDerWaalsContact O-N 3.09Å; Q314-F406 HydrophobicContact CB-CE2 4.49Å; Q314-F406 HydrophobicContact CB-CZ 4.36Å; Q314-L415 HydrophobicContact CB-CD1 4.39Å; Q314-L415 HydrophobicContact CG-CD1 3.86Å
315F98.2Very high96.7Very high0 Ų051.8 Ų51.80%025%0.246CC..Hα-helixtrans-64.2-42.1175.1-172.8-129.2000111.5F302 I305 G311 R312 F318 L319 L328 M398 F406F302-F315 HydrophobicContact CE2-CD1 4.2Å; F302-F315 AromaticContact CE2-CE1 3.52Å; F302-F315 HydrophobicContact CE2-CE1 3.52Å; F302-F315 AromaticContact CE2-CZ 3.86Å; F302-F315 HydrophobicContact CE2-CZ 3.86Å; F302-F315 AromaticContact CZ-CE1 3.92Å; F302-F315 HydrophobicContact CZ-CE1 3.92Å; F302-F315 HydrophobicContact CZ-CZ 4.37Å; I305-F315 HydrophobicContact CD1-CB 3.77Å; I305-F315 HydrophobicContact CD1-CD2 4.48Å; I305-F315 HydrophobicContact CD1-CG 4.2Å; I305-F315 HydrophobicContact CG1-CB 4.35Å; G311-F315 WeakPolarHBondContact O-CB 3.47Å; G311-F315 PolarHBondContact O-N 2.66Å; R312-F315 PolarHBondContact O-N 3.22Å; F315-F318 HydrophobicContact CD2-CD1 4.33Å; F315-F318 HydrophobicContact CE2-CD1 4.31Å; F315-F318 WeakPolarHBondContact O-CB 3.39Å; F315-F318 PolarHBondContact O-N 3.41Å; F315-L319 HydrophobicContact CD1-CD1 4.14Å; F315-L319 HydrophobicContact CE1-CD1 3.78Å; F315-L319 HydrophobicContact CE1-CG 4.41Å; F315-L319 HydrophobicContact CE2-CD1 4.49Å; F315-L319 HydrophobicContact CE2-CD2 4.12Å; F315-L319 HydrophobicContact CE2-CG 4.26Å; F315-L319 HydrophobicContact CZ-CD1 3.98Å; F315-L319 HydrophobicContact CZ-CD2 4.03Å; F315-L319 HydrophobicContact CZ-CG 4.2Å; F315-L319 WeakPolarHBondContact O-CG 3.48Å; F315-L319 PolarHBondContact O-N 2.97Å; F315-L328 HydrophobicContact CD1-CD1 4.33Å; F315-L328 HydrophobicContact CD1-CD2 3.68Å; F315-L328 HydrophobicContact CE1-CD1 4.46Å; F315-L328 HydrophobicContact CE1-CD2 4.28Å; F315-L328 HydrophobicContact CG-CD2 4.49Å; F315-M398 HydrophobicContact CE1-SD 4.35Å; F315-F406 HydrophobicContact CD2-CB 3.74Å; F315-F406 HydrophobicContact CD2-CD1 4.12Å; F315-F406 AromaticContact CD2-CD2 3.94Å; F315-F406 HydrophobicContact CD2-CD2 3.94Å; F315-F406 AromaticContact CD2-CG 3.65Å; F315-F406 HydrophobicContact CD2-CG 3.65Å; F315-F406 HydrophobicContact CE2-CB 3.75Å; F315-F406 HydrophobicContact CE2-CG 4.19Å
316L98.1Very high96.6Very high38 Ų3853.6 Ų53.620%0.19926%0.255CS..Hα-helixtrans-60-47.9176.3-177.963.1000111.7R312 D313 F318 L319 E320 L328 R329R312-L316 VanDerWaalsContact O-CB 3.31Å; R312-L316 WeakPolarHBondContact O-CB 3.4Å; R312-L316 PolarHBondContact O-N 3.41Å; D313-L316 PolarHBondContact O-N 3.44Å; L316-F318 VanDerWaalsContact C-N 3.27Å; L316-F318 PolarHBondContact O-N 3.17Å; L316-L319 PolarHBondContact O-N 3.25Å; L316-L319 VanDerWaalsContact O-N 3.11Å; L316-E320 WeakPolarHBondContact O-CG 3.16Å; L316-E320 PolarHBondContact O-N 3.41Å; L316-L328 HydrophobicContact CB-CD2 3.82Å; L316-L328 HydrophobicContact CD1-CD2 4.01Å; L316-R329 HydrophobicContact CD1-CG 4.16Å
317R97.2Very high96.6Very high140 Ų14053.9 Ų53.953%0.52826%0.257SS..Hα-helixtrans-58.8-39.6176.7-73.3176-169.3143.54112.5D313 Q314 E320 S321D313-R317 WeakPolarHBondContact O-CG 3.44Å; D313-R317 PolarHBondContact O-N 2.93Å; Q314-R317 VanDerWaalsContact CD-NH1 3.35Å; Q314-R317 VanDerWaalsContact NE2-NH1 3.14Å; Q314-R317 PolarHBondContact O-N 3.44Å; Q314-R317 VanDerWaalsContact OE1-NH1 3.16Å; R317-E320 PolarHBondContact O-N 3.22Å; R317-S321 PolarHBondContact O-N 3.12Å
318F97.8Very high96.7Very high18 Ų1847.6 Ų47.68%0.07923%0.229CC..Hα-helixtrans-61.7-47.9174.3168.5-100.1000111.1Q314 F315 L316 E320 S321 E322 R405 F406Q314-F318 PolarHBondContact O-N 3.26Å; Q314-F318 VanDerWaalsContact O-N 3.09Å; F315-F318 HydrophobicContact CD2-CD1 4.33Å; F315-F318 HydrophobicContact CE2-CD1 4.31Å; F315-F318 WeakPolarHBondContact O-CB 3.39Å; F315-F318 PolarHBondContact O-N 3.41Å; L316-F318 VanDerWaalsContact C-N 3.27Å; L316-F318 PolarHBondContact O-N 3.17Å; F318-E320 VanDerWaalsContact C-N 3.32Å; F318-E320 PolarHBondContact O-N 3.25Å; F318-S321 WeakPolarHBondContact O-CB 3.27Å; F318-S321 PolarHBondContact O-N 3.47Å; F318-S321 VanDerWaalsContact O-N 3.15Å; F318-S321 PolarHBondContact O-OG 3.16Å; F318-E322 HydrophobicContact CE2-CG 4.37Å; F318-E322 HydrophobicContact CZ-CG 4.3Å; F318-E322 WeakPolarHBondContact CZ-OE1 3.39Å; F318-E322 WeakPolarHBondContact CZ-OE2 3.33Å; F318-E322 PolarHBondContact O-N 2.89Å; F318-R405 HydrophobicContact CE1-CB 4.44Å; F318-R405 HydrophobicContact CZ-CB 4.03Å; F318-F406 HydrophobicContact CB-CD2 3.69Å; F318-F406 HydrophobicContact CB-CE2 4.15Å; F318-F406 HydrophobicContact CD1-CB 3.77Å; F318-F406 AromaticContact CD1-CD2 3.89Å; F318-F406 HydrophobicContact CD1-CD2 3.89Å; F318-F406 HydrophobicContact CD1-CG 4.31Å; F318-F406 HydrophobicContact CD2-CD2 4.3Å; F318-F406 HydrophobicContact CE1-CB 3.82Å; F318-F406 HydrophobicContact CG-CB 4.34Å; F318-F406 AromaticContact CG-CD2 3.68Å; F318-F406 HydrophobicContact CG-CD2 3.68Å; F318-F406 HydrophobicContact CZ-CB 4.42Å
319L97.2Very high96.7Very high0 Ų050.3 Ų50.30%024%0.237CC..Hα-helixtrans-63.5-36.6177.5-63.4175.9000112.8F315 L316 S321 E322 F323 S324 L328F315-L319 HydrophobicContact CD1-CD1 4.14Å; F315-L319 HydrophobicContact CE1-CD1 3.78Å; F315-L319 HydrophobicContact CE1-CG 4.41Å; F315-L319 HydrophobicContact CE2-CD1 4.49Å; F315-L319 HydrophobicContact CE2-CD2 4.12Å; F315-L319 HydrophobicContact CE2-CG 4.26Å; F315-L319 HydrophobicContact CZ-CD1 3.98Å; F315-L319 HydrophobicContact CZ-CD2 4.03Å; F315-L319 HydrophobicContact CZ-CG 4.2Å; F315-L319 WeakPolarHBondContact O-CG 3.48Å; F315-L319 PolarHBondContact O-N 2.97Å; L316-L319 PolarHBondContact O-N 3.25Å; L316-L319 VanDerWaalsContact O-N 3.11Å; L319-S321 VanDerWaalsContact C-N 3.32Å; L319-E322 CarbonylContact O-C 3.3Å; L319-E322 PolarHBondContact O-N 3.44Å; L319-E322 VanDerWaalsContact O-N 3.16Å; L319-F323 PolarHBondContact O-N 3.03Å; L319-S324 PolarHBondContact O-N 3.28Å; L319-S324 PolarHBondContact O-OG 2.9Å; L319-L328 HydrophobicContact CD1-CB 3.55Å; L319-L328 HydrophobicContact CD1-CD2 3.95Å; L319-L328 HydrophobicContact CD1-CG 4.39Å
320E96.9Very high96.8Very high96 Ų9645.5 Ų45.545%0.44922%0.215SC..Hα-helixtrans-62.2-40.1174.1-73.2172.9165.700111.6L316 R317 F318 E322 F323L316-E320 WeakPolarHBondContact O-CG 3.16Å; L316-E320 PolarHBondContact O-N 3.41Å; R317-E320 PolarHBondContact O-N 3.22Å; F318-E320 VanDerWaalsContact C-N 3.32Å; F318-E320 PolarHBondContact O-N 3.25Å; E320-E322 PolarHBondContact O-N 3.33Å; E320-F323 PolarHBondContact O-N 3.46Å; E320-F323 VanDerWaalsContact O-N 3.12Å
321S95.5Very high96.9Very high83 Ų8346.3 Ų46.358%0.5822%0.217SC*.Hα-helixtrans-65.1-22175.978.20000113.4R317 F318 L319R317-S321 PolarHBondContact O-N 3.12Å; F318-S321 WeakPolarHBondContact O-CB 3.27Å; F318-S321 PolarHBondContact O-N 3.47Å; F318-S321 VanDerWaalsContact O-N 3.15Å; F318-S321 PolarHBondContact O-OG 3.16Å; L319-S321 VanDerWaalsContact C-N 3.32Å
322E94.6Very high96.9Very high69 Ų6949 Ų4932%0.32223%0.231SC..THydrogen-bonded Turntrans-105.210.3176.4-62.3-170.1148.500113F318 L319 E320 S324 R405F318-E322 HydrophobicContact CE2-CG 4.37Å; F318-E322 HydrophobicContact CZ-CG 4.3Å; F318-E322 WeakPolarHBondContact CZ-OE1 3.39Å; F318-E322 WeakPolarHBondContact CZ-OE2 3.33Å; F318-E322 PolarHBondContact O-N 2.89Å; L319-E322 CarbonylContact O-C 3.3Å; L319-E322 PolarHBondContact O-N 3.44Å; L319-E322 VanDerWaalsContact O-N 3.16Å; E320-E322 PolarHBondContact O-N 3.33Å; E322-S324 VanDerWaalsContact C-N 3.28Å; E322-S324 PolarHBondContact O-N 3.33Å; E322-R405 IonicContact OE1-NH1 3.11Å; E322-R405 PolarHBondContact OE1-NH1 2.7Å; E322-R405 IonicContact OE2-CZ 2.83Å; E322-R405 IonicContact OE2-NH1 2.84Å; E322-R405 PolarHBondContact OE2-NH1 2.82Å; E322-R405 IonicContact OE2-NH2 3.26Å
323F91.6Very high96.9Very high181 Ų18147 Ų4779%0.79423%0.225SC*.THydrogen-bonded Turntrans52.341.4-178.8-54.4-86.8000113.9L319 E320L319-F323 PolarHBondContact O-N 3.03Å; E320-F323 PolarHBondContact O-N 3.46Å; E320-F323 VanDerWaalsContact O-N 3.12Å
324S94.7Very high97Very high17 Ų1744.1 Ų44.112%0.11921%0.21CC..  trans-133.322.5-178.160.30000113.9L319 E322 E326L319-S324 PolarHBondContact O-N 3.28Å; L319-S324 PolarHBondContact O-OG 2.9Å; E322-S324 VanDerWaalsContact C-N 3.28Å; E322-S324 PolarHBondContact O-N 3.33Å; S324-E326 VanDerWaalsContact C-N 3.31Å; S324-E326 WeakPolarHBondContact CA-OE1 3.44Å; S324-E326 VanDerWaalsContact CA-OE2 3.26Å; S324-E326 WeakPolarHBondContact CA-OE2 3.2Å; S324-E326 PolarHBondContact O-N 3.37Å
325S96.6Very high97Very high13 Ų1344.6 Ų44.69%0.09121%0.212CC..THydrogen-bonded Turntrans-74.2-18.1-174.471.20000114.3N327 L328 R329S325-N327 PolarHBondContact O-N 2.71Å; S325-L328 PolarHBondContact O-N 2.79Å; S325-R329 WeakPolarHBondContact O-CG 3.18Å; S325-R329 PolarHBondContact O-N 2.67Å; S325-R329 PolarHBondContact OG-NE 3.31Å; S325-R329 PolarHBondContact OG-NH2 2.98Å
326E97.4Very high96.9Very high39 Ų3947.4 Ų47.418%0.18223%0.227CC..Hα-helixtrans-56-36177.666.1-72.7166.300112.6S324 R329 F330 I365S324-E326 VanDerWaalsContact C-N 3.31Å; S324-E326 WeakPolarHBondContact CA-OE1 3.44Å; S324-E326 VanDerWaalsContact CA-OE2 3.26Å; S324-E326 WeakPolarHBondContact CA-OE2 3.2Å; S324-E326 PolarHBondContact O-N 3.37Å; E326-R329 PolarHBondContact O-N 3.33Å; E326-F330 VanDerWaalsContact O-CB 3.32Å; E326-F330 WeakPolarHBondContact O-CB 2.95Å; E326-F330 PolarHBondContact O-N 2.91Å; E326-I365 HydrophobicContact CB-CG2 4.03Å; E326-I365 HydrophobicContact CG-CG2 3.83Å
327N96.8Very high96.9Very high13 Ų1345.6 Ų45.67%0.0722%0.218CC..Hα-helixtrans-63.3-46.4179.9-66.7-40.6000112.1S325 W331 I394 M398S325-N327 PolarHBondContact O-N 2.71Å; N327-W331 WeakPolarHBondContact O-CB 3.21Å; N327-W331 PolarHBondContact O-N 3.46Å; N327-I394 HydrophobicContact CB-CG2 3.88Å; N327-I394 VanDerWaalsContact O-CG2 3.31Å; N327-I394 WeakPolarHBondContact O-CG2 3.4Å; N327-M398 HydrophobicContact CB-CG 3.92Å; N327-M398 HydrophobicContact CB-SD 3.76Å
328L97.8Very high96.9Very high0 Ų041.3 Ų41.30%020%0.203CC..Hα-helixtrans-71.5-39.9178.3-178.961.4000111.1L306 F315 L316 L319 S325 W331 L332 M398L306-L328 HydrophobicContact CD2-CD1 3.6Å; F315-L328 HydrophobicContact CD1-CD1 4.33Å; F315-L328 HydrophobicContact CD1-CD2 3.68Å; F315-L328 HydrophobicContact CE1-CD1 4.46Å; F315-L328 HydrophobicContact CE1-CD2 4.28Å; F315-L328 HydrophobicContact CG-CD2 4.49Å; L316-L328 HydrophobicContact CB-CD2 3.82Å; L316-L328 HydrophobicContact CD1-CD2 4.01Å; L319-L328 HydrophobicContact CD1-CB 3.55Å; L319-L328 HydrophobicContact CD1-CD2 3.95Å; L319-L328 HydrophobicContact CD1-CG 4.39Å; S325-L328 PolarHBondContact O-N 2.79Å; L328-W331 PolarHBondContact O-N 2.75Å; L328-L332 HydrophobicContact CD1-CD1 4.22Å; L328-L332 HydrophobicContact CD1-CG 4.16Å; L328-L332 HydrophobicContact CG-CD1 3.96Å; L328-L332 HydrophobicContact CG-CG 4.36Å; L328-L332 WeakPolarHBondContact O-CB 3.32Å; L328-L332 VanDerWaalsContact O-CG 3.27Å; L328-L332 WeakPolarHBondContact O-CG 3.48Å; L328-L332 PolarHBondContact O-N 3.14Å; L328-M398 HydrophobicContact CB-SD 3.92Å; L328-M398 HydrophobicContact CD1-CE 4.48Å; L328-M398 HydrophobicContact CD1-SD 4.43Å
329R98.2Very high96.9Very high81 Ų8148.1 Ų48.131%0.30623%0.232SC..Hα-helixtrans-60.2-46.1176.4-73.7-173.5-74142.1-2.2111.6L316 S325 E326 L332 A333 F356 S363L316-R329 HydrophobicContact CD1-CG 4.16Å; S325-R329 WeakPolarHBondContact O-CG 3.18Å; S325-R329 PolarHBondContact O-N 2.67Å; S325-R329 PolarHBondContact OG-NE 3.31Å; S325-R329 PolarHBondContact OG-NH2 2.98Å; E326-R329 PolarHBondContact O-N 3.33Å; R329-L332 PolarHBondContact O-N 2.94Å; R329-A333 WeakPolarHBondContact O-CB 3.44Å; R329-A333 PolarHBondContact O-N 3.46Å; R329-F356 HydrophobicContact CB-CE1 3.92Å; R329-F356 HydrophobicContact CB-CZ 3.96Å; R329-S363 PolarHBondContact NH1-OG 3.23Å; R329-S363 PolarHBondContact NH2-OG 3.36Å
330F98.4Very high96.9Very high0 Ų050.3 Ų50.30%024%0.243CC..Hα-helixtrans-58.2-51.1173.2171-103.8000111.3E326 L332 A333 V334 I352 F356 L357 I365 F387 A390 I394E326-F330 VanDerWaalsContact O-CB 3.32Å; E326-F330 WeakPolarHBondContact O-CB 2.95Å; E326-F330 PolarHBondContact O-N 2.91Å; F330-L332 VanDerWaalsContact C-N 3.3Å; F330-L332 PolarHBondContact O-N 2.83Å; F330-A333 WeakPolarHBondContact O-CB 3.35Å; F330-A333 PolarHBondContact O-N 3.17Å; F330-A333 VanDerWaalsContact O-N 3.12Å; F330-V334 HydrophobicContact CD2-CG2 4.21Å; F330-V334 HydrophobicContact CE1-CG2 4.12Å; F330-V334 HydrophobicContact CE2-CG2 3.76Å; F330-V334 HydrophobicContact CZ-CG2 3.71Å; F330-V334 WeakPolarHBondContact O-CG2 3.44Å; F330-V334 PolarHBondContact O-N 2.88Å; F330-I352 HydrophobicContact CD2-CG2 4.07Å; F330-I352 HydrophobicContact CE2-CG2 3.88Å; F330-F356 HydrophobicContact CB-CB 4.47Å; F330-F356 HydrophobicContact CB-CD1 3.72Å; F330-F356 HydrophobicContact CB-CD2 4.29Å; F330-F356 HydrophobicContact CB-CE1 3.97Å; F330-F356 HydrophobicContact CB-CG 3.9Å; F330-F356 HydrophobicContact CB-CZ 4.38Å; F330-F356 HydrophobicContact CD2-CB 3.69Å; F330-F356 HydrophobicContact CD2-CD1 4.41Å; F330-F356 AromaticContact CD2-CD2 3.85Å; F330-F356 HydrophobicContact CD2-CD2 3.85Å; F330-F356 AromaticContact CD2-CG 3.73Å; F330-F356 HydrophobicContact CD2-CG 3.73Å; F330-F356 HydrophobicContact CE2-CB 4.42Å; F330-F356 HydrophobicContact CG-CB 4.44Å; F330-F356 HydrophobicContact CG-CG 4.29Å; F330-L357 HydrophobicContact CE2-CD1 4.11Å; F330-L357 HydrophobicContact CZ-CD1 4.43Å; F330-I365 HydrophobicContact CB-CD1 4.28Å; F330-I365 HydrophobicContact CB-CG2 3.96Å; F330-I365 HydrophobicContact CD1-CD1 3.53Å; F330-I365 HydrophobicContact CD2-CD1 3.83Å; F330-I365 HydrophobicContact CE1-CD1 3.68Å; F330-I365 HydrophobicContact CE2-CD1 3.97Å; F330-I365 HydrophobicContact CG-CD1 3.6Å; F330-I365 HydrophobicContact CG-CG2 4.44Å; F330-I365 HydrophobicContact CZ-CD1 3.9Å; F330-F387 HydrophobicContact CE2-CD1 4.18Å; F330-F387 HydrophobicContact CZ-CB 4.21Å; F330-F387 HydrophobicContact CZ-CD1 4.28Å; F330-F387 HydrophobicContact CZ-CG 4.48Å; F330-A390 HydrophobicContact CE1-CB 4.11Å; F330-A390 HydrophobicContact CZ-CB 3.75Å; F330-I394 HydrophobicContact CD1-CB 4.21Å; F330-I394 HydrophobicContact CD1-CG1 3.89Å; F330-I394 HydrophobicContact CD1-CG2 4.2Å; F330-I394 HydrophobicContact CE1-CB 4.41Å; F330-I394 HydrophobicContact CE1-CG1 3.98Å
331W98Very high96.9Very high30 Ų3049 Ų4911%0.11424%0.242CC..Hα-helixtrans-58.5-42.6-178.5-174.992.1000112L306 N327 L328 V334 Q335 Q391 Y395 M398L306-W331 HydrophobicContact CB-CH2 4.21Å; L306-W331 HydrophobicContact CB-CZ3 4.37Å; L306-W331 HydrophobicContact CD1-CE3 4.45Å; L306-W331 HydrophobicContact CD1-CH2 3.82Å; L306-W331 HydrophobicContact CD1-CZ2 3.91Å; L306-W331 HydrophobicContact CD1-CZ3 4.1Å; L306-W331 HydrophobicContact CD2-CE3 4.37Å; L306-W331 HydrophobicContact CD2-CZ3 4.15Å; L306-W331 HydrophobicContact CG-CH2 4.47Å; L306-W331 HydrophobicContact CG-CZ3 4.45Å; N327-W331 WeakPolarHBondContact O-CB 3.21Å; N327-W331 PolarHBondContact O-N 3.46Å; L328-W331 PolarHBondContact O-N 2.75Å; W331-V334 PolarHBondContact O-N 2.9Å; W331-Q335 HydrophobicContact CD2-CG 4.02Å; W331-Q335 HydrophobicContact CE3-CG 3.8Å; W331-Q335 HydrophobicContact CH2-CG 3.58Å; W331-Q335 HydrophobicContact CZ2-CG 3.79Å; W331-Q335 VanDerWaalsContact CZ2-NE2 3.34Å; W331-Q335 HydrophobicContact CZ3-CG 3.59Å; W331-Q335 WeakPolarHBondContact O-CG 3.47Å; W331-Q335 PolarHBondContact O-N 3.35Å; W331-Q391 VanDerWaalsContact CD1-CG 3.47Å; W331-Q391 HydrophobicContact CG-CG 4.35Å; W331-Q391 PolarHBondContact O-NE2 2.95Å; W331-Y395 HydrophobicContact CZ2-CD2 4.33Å; W331-Y395 AromaticContact NE1-CD2 3.66Å; W331-M398 HydrophobicContact CB-CE 3.87Å; W331-M398 HydrophobicContact CG-CE 4.11Å
332L97.8Very high96.9Very high56 Ų5651.5 Ų51.529%0.29325%0.248SC..Hα-helixtrans-66.8-39.7176.2-69.2171.8000112.3L328 R329 F330 V334 Q335 D336L328-L332 HydrophobicContact CD1-CD1 4.22Å; L328-L332 HydrophobicContact CD1-CG 4.16Å; L328-L332 HydrophobicContact CG-CD1 3.96Å; L328-L332 HydrophobicContact CG-CG 4.36Å; L328-L332 WeakPolarHBondContact O-CB 3.32Å; L328-L332 VanDerWaalsContact O-CG 3.27Å; L328-L332 WeakPolarHBondContact O-CG 3.48Å; L328-L332 PolarHBondContact O-N 3.14Å; R329-L332 PolarHBondContact O-N 2.94Å; F330-L332 VanDerWaalsContact C-N 3.3Å; F330-L332 PolarHBondContact O-N 2.83Å; L332-V334 VanDerWaalsContact C-N 3.32Å; L332-V334 PolarHBondContact O-N 2.85Å; L332-Q335 WeakPolarHBondContact O-CB 3.45Å; L332-Q335 PolarHBondContact O-N 3.29Å; L332-D336 WeakPolarHBondContact O-CB 3.44Å; L332-D336 PolarHBondContact O-N 3.43Å
333A98.1Very high97Very high9 Ų956 Ų567%0.07427%0.269CS..Hα-helixtrans-62.3-39.617600000111.7R329 F330 D336 L337 I352 F356R329-A333 WeakPolarHBondContact O-CB 3.44Å; R329-A333 PolarHBondContact O-N 3.46Å; F330-A333 WeakPolarHBondContact O-CB 3.35Å; F330-A333 PolarHBondContact O-N 3.17Å; F330-A333 VanDerWaalsContact O-N 3.12Å; A333-D336 PolarHBondContact O-N 3.46Å; A333-L337 PolarHBondContact O-N 3.38Å; A333-I352 HydrophobicContact CB-CD1 4.05Å; A333-I352 HydrophobicContact CB-CG1 3.99Å; A333-I352 WeakPolarHBondContact O-CD1 3.45Å; A333-F356 HydrophobicContact CB-CE2 4.07Å
334V98.1Very high97.2Very high0 Ų050.1 Ų50.10%025%0.246CC..Hα-helixtrans-69.5-37.1174.4-1800000111.8F330 W331 L332 D336 L337 K338 I352 F387 Q391F330-V334 HydrophobicContact CD2-CG2 4.21Å; F330-V334 HydrophobicContact CE1-CG2 4.12Å; F330-V334 HydrophobicContact CE2-CG2 3.76Å; F330-V334 HydrophobicContact CZ-CG2 3.71Å; F330-V334 WeakPolarHBondContact O-CG2 3.44Å; F330-V334 PolarHBondContact O-N 2.88Å; W331-V334 PolarHBondContact O-N 2.9Å; L332-V334 VanDerWaalsContact C-N 3.32Å; L332-V334 PolarHBondContact O-N 2.85Å; V334-D336 VanDerWaalsContact C-N 3.29Å; V334-D336 PolarHBondContact O-N 2.99Å; V334-L337 WeakPolarHBondContact O-CB 3.44Å; V334-L337 PolarHBondContact O-N 3.25Å; V334-K338 PolarHBondContact O-N 3.25Å; V334-I352 HydrophobicContact CG2-CG2 4.36Å; V334-F387 HydrophobicContact CB-CB 4.46Å; V334-F387 HydrophobicContact CG1-CB 3.86Å; V334-F387 HydrophobicContact CG2-CB 3.65Å; V334-F387 HydrophobicContact CG2-CD2 4.11Å; V334-F387 HydrophobicContact CG2-CG 3.99Å; V334-Q391 HydrophobicContact CB-CG 4.4Å; V334-Q391 HydrophobicContact CG1-CB 4.06Å; V334-Q391 VanDerWaalsContact CG1-CD 3.44Å; V334-Q391 HydrophobicContact CG1-CG 4.15Å
335Q97.3Very high97.4Very high54 Ų5449.5 Ų49.525%0.25224%0.242SC..Hα-helixtrans-62.7-37.8172.5-73.1-62.4-30.800112.3W331 L332W331-Q335 HydrophobicContact CD2-CG 4.02Å; W331-Q335 HydrophobicContact CE3-CG 3.8Å; W331-Q335 HydrophobicContact CH2-CG 3.58Å; W331-Q335 HydrophobicContact CZ2-CG 3.79Å; W331-Q335 VanDerWaalsContact CZ2-NE2 3.34Å; W331-Q335 HydrophobicContact CZ3-CG 3.59Å; W331-Q335 WeakPolarHBondContact O-CG 3.47Å; W331-Q335 PolarHBondContact O-N 3.35Å; L332-Q335 WeakPolarHBondContact O-CB 3.45Å; L332-Q335 PolarHBondContact O-N 3.29Å
336D97.3Very high97.3Very high59 Ų5952.1 Ų52.132%0.31626%0.264SS..Hα-helixtrans-67.4-45.2174.8177.769.6000111.5L332 A333 V334 K338 K339 Q340 R348L332-D336 WeakPolarHBondContact O-CB 3.44Å; L332-D336 PolarHBondContact O-N 3.43Å; A333-D336 PolarHBondContact O-N 3.46Å; V334-D336 VanDerWaalsContact C-N 3.29Å; V334-D336 PolarHBondContact O-N 2.99Å; D336-K338 VanDerWaalsContact C-N 3.25Å; D336-K338 PolarHBondContact O-N 2.72Å; D336-K339 WeakPolarHBondContact O-CA 3.44Å; D336-K339 WeakPolarHBondContact O-CB 3Å; D336-K339 PolarHBondContact O-N 3.15Å; D336-Q340 PolarHBondContact O-N 3.26Å; D336-Q340 PolarHBondContact OD1-NE2 3.46Å; D336-Q340 PolarHBondContact OD2-NE2 3.28Å; D336-R348 IonicContact OD2-CZ 3.88Å; D336-R348 IonicContact OD2-NE 3.93Å; D336-R348 PolarHBondContact OD2-NE 2.87Å; D336-R348 IonicContact OD2-NH2 2.72Å
337L98.1Very high97.3Very high0 Ų056.8 Ų56.80%028%0.284CS..Hα-helixtrans-50.6-44.6174.9173.868000112.3A333 V334 K339 Q340 V345 R348 V349 I352 F387A333-L337 PolarHBondContact O-N 3.38Å; V334-L337 WeakPolarHBondContact O-CB 3.44Å; V334-L337 PolarHBondContact O-N 3.25Å; L337-K339 PolarHBondContact O-N 3.2Å; L337-K339 VanDerWaalsContact O-N 3.11Å; L337-Q340 PolarHBondContact O-N 3.04Å; L337-V345 HydrophobicContact CD1-CG1 4.12Å; L337-R348 HydrophobicContact CB-CG 4.23Å; L337-R348 HydrophobicContact CD1-CB 3.66Å; L337-R348 HydrophobicContact CD1-CG 3.66Å; L337-V349 HydrophobicContact CD1-CG2 3.91Å; L337-V349 HydrophobicContact CD2-CG2 3.85Å; L337-I352 HydrophobicContact CB-CD1 3.87Å; L337-I352 HydrophobicContact CD2-CD1 4.24Å; L337-I352 HydrophobicContact CG-CD1 4.5Å; L337-F387 HydrophobicContact CD2-CD2 3.59Å; L337-F387 HydrophobicContact CD2-CE2 3.81Å
338K97.3Very high97.4Very high49 Ų4958.7 Ų58.721%0.21329%0.29CS..THydrogen-bonded Turntrans-61.2-21.4179.6-71.7179.3-179-173.10112.9V334 D336 R384 E388V334-K338 PolarHBondContact O-N 3.25Å; D336-K338 VanDerWaalsContact C-N 3.25Å; D336-K338 PolarHBondContact O-N 2.72Å; K338-R384 WeakPolarHBondContact CG-O 3.28Å; K338-R384 PolarHBondContact O-NH1 3.38Å; K338-E388 IonicContact NZ-OE1 2.92Å; K338-E388 PolarHBondContact NZ-OE1 3.23Å
339K96.9Very high97.4Very high161 Ų16158.8 Ų58.870%0.729%0.291SS*.THydrogen-bonded Turntrans-100.8-11.3-178.7-60.4172-172.1173.20113.8D336 L337D336-K339 WeakPolarHBondContact O-CA 3.44Å; D336-K339 WeakPolarHBondContact O-CB 3Å; D336-K339 PolarHBondContact O-N 3.15Å; L337-K339 PolarHBondContact O-N 3.2Å; L337-K339 VanDerWaalsContact O-N 3.11Å
340Q97.1Very high97.3Very high47 Ų4759.2 Ų59.222%0.2230%0.296CS..SBendtrans-62.1151.4-178.8-70.6-60.1-29.700112.7D336 L337 V345 R348 R384D336-Q340 PolarHBondContact O-N 3.26Å; D336-Q340 PolarHBondContact OD1-NE2 3.46Å; D336-Q340 PolarHBondContact OD2-NE2 3.28Å; L337-Q340 PolarHBondContact O-N 3.04Å; Q340-V345 HydrophobicContact CB-CG2 4.34Å; Q340-R348 HydrophobicContact CG-CG 4.21Å; Q340-R384 PolarHBondContact O-NH1 3.1Å; Q340-R384 PolarHBondContact O-NH2 2.98Å
341P97.1Very high97.3Very high67 Ų6762.6 Ų62.644%0.43531%0.312SS..  trans-58.3147.3166.5-21.734.2000111.2Q343 D344 V345P341-Q343 HydrophobicContact CB-CG 4.21Å; P341-Q343 PolarHBondContact O-N 3.01Å; P341-Q343 VanDerWaalsContact O-N 3.11Å; P341-D344 PolarHBondContact O-N 3.36Å; P341-V345 PolarHBondContact O-N 2.82Å
342L96.4Very high97.3Very high136 Ų13661.1 Ų61.171%0.71231%0.306SS*.Hα-helixtrans-57.3-34-173-174.264000113.3D344 V345L342-D344 VanDerWaalsContact C-N 3.26Å; L342-D344 PolarHBondContact O-N 2.98Å; L342-V345 PolarHBondContact O-N 3.45Å
343Q96.3Very high97.3Very high164 Ų16459.9 Ų59.977%0.76630%0.298SS*.Hα-helixtrans-63.9-27.6178.269.5-171.821.300113.6P341P341-Q343 HydrophobicContact CB-CG 4.21Å; P341-Q343 PolarHBondContact O-N 3.01Å; P341-Q343 VanDerWaalsContact O-N 3.11Å
344D96.7Very high97.2Very high58 Ų5864 Ų6431%0.3132%0.316SS..Hα-helixtrans-96.1-13.2-175.1-59.4-50.3000112.1P341 L342 A346 K347 R348P341-D344 PolarHBondContact O-N 3.36Å; L342-D344 VanDerWaalsContact C-N 3.26Å; L342-D344 PolarHBondContact O-N 2.98Å; D344-A346 PolarHBondContact O-N 3.07Å; D344-K347 PolarHBondContact O-N 3.35Å; D344-R348 WeakPolarHBondContact O-CB 3.4Å; D344-R348 PolarHBondContact O-N 2.97Å
345V97.4Very high97.2Very high4 Ų467.2 Ų67.22%0.02433%0.33CS..Hα-helixtrans-56.8-49.1-176.9169.10000111.6L337 Q340 P341 L342 K347 R348 V349 R384L337-V345 HydrophobicContact CD1-CG1 4.12Å; Q340-V345 HydrophobicContact CB-CG2 4.34Å; P341-V345 PolarHBondContact O-N 2.82Å; L342-V345 PolarHBondContact O-N 3.45Å; V345-K347 VanDerWaalsContact C-N 3.34Å; V345-K347 PolarHBondContact O-N 3.4Å; V345-R348 PolarHBondContact O-N 3.32Å; V345-V349 HydrophobicContact CG1-CG2 4.33Å; V345-V349 WeakPolarHBondContact O-CG2 3.49Å; V345-V349 PolarHBondContact O-N 3.22Å; V345-R384 HydrophobicContact CG1-CG 4.43Å; V345-R384 HydrophobicContact CG2-CG 4.02Å
346A95.9Very high97.3Very high67 Ų6764.8 Ų64.855%0.55432%0.319SS*.Hα-helixtrans-61.2-43.9-177.100000111.9D344 V349 E350D344-A346 PolarHBondContact O-N 3.07Å; A346-V349 PolarHBondContact O-N 2.82Å; A346-E350 PolarHBondContact O-N 2.55Å
347K96.4Very high97.2Very high137 Ų13762.4 Ų62.460%0.59631%0.306SS*.Hα-helixtrans-63.4-45176-171.7-169.1178.7-131.70111.1D344 V345 V349 E350 E351D344-K347 PolarHBondContact O-N 3.35Å; V345-K347 VanDerWaalsContact C-N 3.34Å; V345-K347 PolarHBondContact O-N 3.4Å; K347-V349 VanDerWaalsContact C-N 3.32Å; K347-V349 PolarHBondContact O-N 3.25Å; K347-E350 PolarHBondContact O-N 3.49Å; K347-E351 WeakPolarHBondContact CE-OE1 3.22Å; K347-E351 IonicContact NZ-OE1 3.37Å; K347-E351 PolarHBondContact NZ-OE1 2.99Å; K347-E351 WeakPolarHBondContact O-CG 3.46Å; K347-E351 PolarHBondContact O-N 2.98Å
348R97.9Very high97.1Very high53 Ų5362.8 Ų62.820%0.231%0.309CS..Hα-helixtrans-65.8-34.4-179.1-171.762.8173.1147.77.2112.4D336 L337 Q340 D344 V345 E351 I352D336-R348 IonicContact OD2-CZ 3.88Å; D336-R348 IonicContact OD2-NE 3.93Å; D336-R348 PolarHBondContact OD2-NE 2.87Å; D336-R348 IonicContact OD2-NH2 2.72Å; L337-R348 HydrophobicContact CB-CG 4.23Å; L337-R348 HydrophobicContact CD1-CB 3.66Å; L337-R348 HydrophobicContact CD1-CG 3.66Å; Q340-R348 HydrophobicContact CG-CG 4.21Å; D344-R348 WeakPolarHBondContact O-CB 3.4Å; D344-R348 PolarHBondContact O-N 2.97Å; V345-R348 PolarHBondContact O-N 3.32Å; R348-E351 WeakPolarHBondContact CD-OE2 3.4Å; R348-E351 IonicContact NH1-OE2 2.74Å; R348-E351 PolarHBondContact NH1-OE2 3.5Å; R348-E351 VanDerWaalsContact NH1-OE2 3.11Å; R348-E351 PolarHBondContact O-N 2.7Å; R348-I352 HydrophobicContact CG-CD1 4.05Å; R348-I352 VanDerWaalsContact O-CG1 3.27Å; R348-I352 WeakPolarHBondContact O-CG1 3.27Å; R348-I352 PolarHBondContact O-N 3.32Å
349V98.1Very high96.9Very high3 Ų366.1 Ų66.12%0.01834%0.336CS..Hα-helixtrans-59.7-48172.8167.20000110.7L337 V345 A346 K347 I352 W353 V379 T386 F387L337-V349 HydrophobicContact CD1-CG2 3.91Å; L337-V349 HydrophobicContact CD2-CG2 3.85Å; V345-V349 HydrophobicContact CG1-CG2 4.33Å; V345-V349 WeakPolarHBondContact O-CG2 3.49Å; V345-V349 PolarHBondContact O-N 3.22Å; A346-V349 PolarHBondContact O-N 2.82Å; K347-V349 VanDerWaalsContact C-N 3.32Å; K347-V349 PolarHBondContact O-N 3.25Å; V349-I352 PolarHBondContact O-N 3.44Å; V349-W353 WeakPolarHBondContact O-CB 3.38Å; V349-W353 PolarHBondContact O-N 3.02Å; V349-V379 HydrophobicContact CG1-CB 4.46Å; V349-V379 HydrophobicContact CG1-CG1 4.14Å; V349-V379 HydrophobicContact CG1-CG2 4.15Å; V349-T386 HydrophobicContact CG1-CG2 3.95Å; V349-F387 HydrophobicContact CB-CE2 4.27Å; V349-F387 HydrophobicContact CG1-CE2 4.05Å; V349-F387 HydrophobicContact CG1-CZ 4.01Å; V349-F387 HydrophobicContact CG2-CE2 4.15Å; V349-F387 WeakPolarHBondContact O-CZ 3.24Å
350E96.8Very high96.7Very high90 Ų9062.4 Ų62.442%0.42134%0.343SS..Hα-helixtrans-62.6-44.6178.7-172.260.6-147.300111.7A346 K347 I352 W353 Q354A346-E350 PolarHBondContact O-N 2.55Å; K347-E350 PolarHBondContact O-N 3.49Å; E350-I352 PolarHBondContact O-N 3.16Å; E350-W353 PolarHBondContact O-N 3.34Å; E350-Q354 HydrophobicContact CG-CG 4.4Å; E350-Q354 VanDerWaalsContact O-CG 3.3Å; E350-Q354 WeakPolarHBondContact O-CG 3.47Å; E350-Q354 PolarHBondContact O-N 2.95Å; E350-Q354 WeakPolarHBondContact OE1-CG 3.44Å; E350-Q354 PolarHBondContact OE1-NE2 2.92Å
351E97.6Very high96.6Very high70 Ų7060.8 Ų60.833%0.32734%0.338SS..Hα-helixtrans-57.2-46.9177.1-71171.7-177.500111.9K347 R348 Q354 E355K347-E351 WeakPolarHBondContact CE-OE1 3.22Å; K347-E351 IonicContact NZ-OE1 3.37Å; K347-E351 PolarHBondContact NZ-OE1 2.99Å; K347-E351 WeakPolarHBondContact O-CG 3.46Å; K347-E351 PolarHBondContact O-N 2.98Å; R348-E351 WeakPolarHBondContact CD-OE2 3.4Å; R348-E351 IonicContact NH1-OE2 2.74Å; R348-E351 PolarHBondContact NH1-OE2 3.5Å; R348-E351 VanDerWaalsContact NH1-OE2 3.11Å; R348-E351 PolarHBondContact O-N 2.7Å; E351-Q354 PolarHBondContact O-N 3.3Å; E351-E355 WeakPolarHBondContact O-CB 3.47Å; E351-E355 PolarHBondContact O-N 3.25Å
352I98.3Very high96.5Very high0 Ų062.8 Ų62.80%035%0.351CS..Hα-helixtrans-65.9-41.5178.9-67.4169.9000110.9F330 A333 V334 L337 R348 V349 E350 E355 F356 F387F330-I352 HydrophobicContact CD2-CG2 4.07Å; F330-I352 HydrophobicContact CE2-CG2 3.88Å; A333-I352 HydrophobicContact CB-CD1 4.05Å; A333-I352 HydrophobicContact CB-CG1 3.99Å; A333-I352 WeakPolarHBondContact O-CD1 3.45Å; V334-I352 HydrophobicContact CG2-CG2 4.36Å; L337-I352 HydrophobicContact CB-CD1 3.87Å; L337-I352 HydrophobicContact CD2-CD1 4.24Å; L337-I352 HydrophobicContact CG-CD1 4.5Å; R348-I352 HydrophobicContact CG-CD1 4.05Å; R348-I352 VanDerWaalsContact O-CG1 3.27Å; R348-I352 WeakPolarHBondContact O-CG1 3.27Å; R348-I352 PolarHBondContact O-N 3.32Å; V349-I352 PolarHBondContact O-N 3.44Å; E350-I352 PolarHBondContact O-N 3.16Å; I352-E355 PolarHBondContact O-N 3.01Å; I352-F356 HydrophobicContact CG2-CD2 4.07Å; I352-F356 WeakPolarHBondContact O-CD2 3.27Å; I352-F356 PolarHBondContact O-N 2.86Å; I352-F356 VanDerWaalsContact O-N 3.13Å; I352-F387 HydrophobicContact CB-CE2 3.89Å; I352-F387 HydrophobicContact CB-CZ 3.88Å; I352-F387 HydrophobicContact CD1-CE2 4.27Å; I352-F387 HydrophobicContact CG2-CD1 4.41Å; I352-F387 HydrophobicContact CG2-CD2 4.17Å; I352-F387 HydrophobicContact CG2-CE1 4.01Å; I352-F387 HydrophobicContact CG2-CE2 3.73Å; I352-F387 HydrophobicContact CG2-CG 4.5Å; I352-F387 HydrophobicContact CG2-CZ 3.65Å
353W97.5Very high96.4Very high29 Ų2957.2 Ų57.211%0.1132%0.324CS..Hα-helixtrans-59.6-49.7176.7175.4-101.5000111.1V349 E350 E355 L357 A358 Y372 T375 V379 F387V349-W353 WeakPolarHBondContact O-CB 3.38Å; V349-W353 PolarHBondContact O-N 3.02Å; E350-W353 PolarHBondContact O-N 3.34Å; W353-E355 VanDerWaalsContact C-N 3.35Å; W353-E355 PolarHBondContact O-N 2.92Å; W353-L357 HydrophobicContact CD2-CB 4.15Å; W353-L357 HydrophobicContact CE3-CB 3.56Å; W353-L357 HydrophobicContact CE3-CD1 3.99Å; W353-L357 HydrophobicContact CE3-CG 4.43Å; W353-L357 HydrophobicContact CH2-CB 4.36Å; W353-L357 HydrophobicContact CZ3-CB 3.69Å; W353-L357 HydrophobicContact CZ3-CD1 4.09Å; W353-L357 CarbonylContact O-C 3.55Å; W353-L357 PolarHBondContact O-N 3.45Å; W353-A358 PolarHBondContact O-N 3.46Å; W353-Y372 HydrophobicContact CH2-CE2 4.02Å; W353-Y372 AromaticContact CH2-CZ 3.86Å; W353-Y372 HydrophobicContact CZ3-CE2 4.47Å; W353-T375 HydrophobicContact CE3-CG2 4.47Å; W353-T375 HydrophobicContact CZ3-CG2 4.23Å; W353-V379 HydrophobicContact CB-CG1 4.42Å; W353-V379 HydrophobicContact CD2-CG1 4.37Å; W353-V379 HydrophobicContact CD2-CG2 4.24Å; W353-V379 HydrophobicContact CE3-CG2 3.77Å; W353-V379 HydrophobicContact CG-CG1 4.24Å; W353-V379 HydrophobicContact CZ3-CG2 4.37Å; W353-F387 HydrophobicContact CB-CZ 4.38Å; W353-F387 HydrophobicContact CE3-CE1 4.47Å
354Q97.7Very high96.3Very high97 Ų9752.5 Ų52.545%0.45331%0.313SS..Hα-helixtrans-65.4-34.9-179.2-66-60.9-27.300113.2E350 E351 P362E350-Q354 HydrophobicContact CG-CG 4.4Å; E350-Q354 VanDerWaalsContact O-CG 3.3Å; E350-Q354 WeakPolarHBondContact O-CG 3.47Å; E350-Q354 PolarHBondContact O-N 2.95Å; E350-Q354 WeakPolarHBondContact OE1-CG 3.44Å; E350-Q354 PolarHBondContact OE1-NE2 2.92Å; E351-Q354 PolarHBondContact O-N 3.3Å; Q354-P362 WeakPolarHBondContact O-CD 3.47Å
355E98.1Very high96.3Very high66 Ų6650.6 Ų50.631%0.30830%0.302SS..Hα-helixtrans-75.4-37.4-178-173.8177174.200113.4E351 I352 W353 P362 S363E351-E355 WeakPolarHBondContact O-CB 3.47Å; E351-E355 PolarHBondContact O-N 3.25Å; I352-E355 PolarHBondContact O-N 3.01Å; W353-E355 VanDerWaalsContact C-N 3.35Å; W353-E355 PolarHBondContact O-N 2.92Å; E355-P362 WeakPolarHBondContact O-CD 3.43Å; E355-S363 CarbonylContact O-C 3.51Å; E355-S363 PolarHBondContact O-N 3.31Å
356F97.9Very high95.9Very high3 Ų356.4 Ų56.41%0.01333%0.333CS..Hα-helixtrans-120-23.9-166.8-61.2-76.6000115.7R329 F330 A333 I352 S363 A364 I365R329-F356 HydrophobicContact CB-CE1 3.92Å; R329-F356 HydrophobicContact CB-CZ 3.96Å; F330-F356 HydrophobicContact CB-CB 4.47Å; F330-F356 HydrophobicContact CB-CD1 3.72Å; F330-F356 HydrophobicContact CB-CD2 4.29Å; F330-F356 HydrophobicContact CB-CE1 3.97Å; F330-F356 HydrophobicContact CB-CG 3.9Å; F330-F356 HydrophobicContact CB-CZ 4.38Å; F330-F356 HydrophobicContact CD2-CB 3.69Å; F330-F356 HydrophobicContact CD2-CD1 4.41Å; F330-F356 AromaticContact CD2-CD2 3.85Å; F330-F356 HydrophobicContact CD2-CD2 3.85Å; F330-F356 AromaticContact CD2-CG 3.73Å; F330-F356 HydrophobicContact CD2-CG 3.73Å; F330-F356 HydrophobicContact CE2-CB 4.42Å; F330-F356 HydrophobicContact CG-CB 4.44Å; F330-F356 HydrophobicContact CG-CG 4.29Å; A333-F356 HydrophobicContact CB-CE2 4.07Å; I352-F356 HydrophobicContact CG2-CD2 4.07Å; I352-F356 WeakPolarHBondContact O-CD2 3.27Å; I352-F356 PolarHBondContact O-N 2.86Å; I352-F356 VanDerWaalsContact O-N 3.13Å; F356-S363 VanDerWaalsContact CD1-O 3.29Å; F356-S363 WeakPolarHBondContact CD1-O 3.38Å; F356-A364 WeakPolarHBondContact O-CA 3.4Å; F356-I365 HydrophobicContact CB-CG1 4.34Å; F356-I365 HydrophobicContact CB-CG2 4.41Å; F356-I365 HydrophobicContact CD1-CG2 4.06Å; F356-I365 PolarHBondContact O-N 2.85Å
357L96.6Very high95.7Very high10 Ų1054.2 Ų54.25%0.05231%0.312CS..THydrogen-bonded Turntrans-129.7-23.9-167.4-69.2176.1000115.1F330 W353 I365 L367 Y372 T375 F387F330-L357 HydrophobicContact CE2-CD1 4.11Å; F330-L357 HydrophobicContact CZ-CD1 4.43Å; W353-L357 HydrophobicContact CD2-CB 4.15Å; W353-L357 HydrophobicContact CE3-CB 3.56Å; W353-L357 HydrophobicContact CE3-CD1 3.99Å; W353-L357 HydrophobicContact CE3-CG 4.43Å; W353-L357 HydrophobicContact CH2-CB 4.36Å; W353-L357 HydrophobicContact CZ3-CB 3.69Å; W353-L357 HydrophobicContact CZ3-CD1 4.09Å; W353-L357 CarbonylContact O-C 3.55Å; W353-L357 PolarHBondContact O-N 3.45Å; L357-I365 HydrophobicContact CD2-CD1 3.75Å; L357-I365 HydrophobicContact CD2-CG1 3.52Å; L357-I365 HydrophobicContact CG-CD1 4.35Å; L357-I365 HydrophobicContact CG-CG1 4.31Å; L357-L367 HydrophobicContact CD1-CD1 4.23Å; L357-L367 HydrophobicContact CD2-CD1 3.35Å; L357-L367 HydrophobicContact CD2-CG 4.06Å; L357-L367 HydrophobicContact CG-CD1 4.44Å; L357-Y372 HydrophobicContact CB-CE2 4.49Å; L357-Y372 HydrophobicContact CD2-CD2 4.34Å; L357-Y372 WeakPolarHBondContact O-CE2 3.41Å; L357-Y372 PolarHBondContact O-OH 2.82Å; L357-T375 HydrophobicContact CD1-CG2 3.84Å; L357-F387 HydrophobicContact CD1-CD1 4.02Å; L357-F387 HydrophobicContact CD1-CE1 3.97Å
358A94.7Very high95.5Very high7 Ų750.8 Ų50.86%0.05830%0.3CS..SBendtrans-59.8151.417800000111.6W353 G360 A361W353-A358 PolarHBondContact O-N 3.46Å; A358-G360 PolarHBondContact O-N 3.11Å; A358-G360 VanDerWaalsContact O-N 3.1Å; A358-A361 WeakPolarHBondContact O-CB 3.41Å; A358-A361 PolarHBondContact O-N 3.19Å
359P92.8Very high95.2Very high120 Ų12052.6 Ų52.678%0.77932%0.321SS*.THydrogen-bonded Turntrans-56.3119.3173-24.634.3000111.1
360G92.5Very high94.9Very high83 Ų8358.2 Ų58.286%0.85635%0.347SS*.THydrogen-bonded Turntrans80.618.1-175.500000114.7A358A358-G360 PolarHBondContact O-N 3.11Å; A358-G360 VanDerWaalsContact O-N 3.1Å
361A95.5Very high94.8Very high13 Ų1354.4 Ų54.411%0.10733%0.33CS..  trans-52.6137.1176.300000112.2A358 S363 A364A358-A361 WeakPolarHBondContact O-CB 3.41Å; A358-A361 PolarHBondContact O-N 3.19Å; A361-S363 VanDerWaalsContact C-N 3.26Å; A361-S363 PolarHBondContact O-N 3.25Å; A361-A364 HydrophobicContact CB-CB 4.18Å; A361-A364 PolarHBondContact O-N 3.24Å
362P94.8Very high94.6Very high108 Ų10854.8 Ų54.870%0.70133%0.329SS*.THydrogen-bonded Turntrans-67.6-23.4-175.827.7-35.8000113.6Q354 E355Q354-P362 WeakPolarHBondContact O-CD 3.47Å; E355-P362 WeakPolarHBondContact O-CD 3.43Å
363S95.6Very high94.4Very high20 Ų2060.3 Ų60.314%0.1436%0.355CS..THydrogen-bonded Turntrans-128.750.9174.6-69.50000110.2R329 E355 F356 A361 I365R329-S363 PolarHBondContact NH1-OG 3.23Å; R329-S363 PolarHBondContact NH2-OG 3.36Å; E355-S363 CarbonylContact O-C 3.51Å; E355-S363 PolarHBondContact O-N 3.31Å; F356-S363 VanDerWaalsContact CD1-O 3.29Å; F356-S363 WeakPolarHBondContact CD1-O 3.38Å; A361-S363 VanDerWaalsContact C-N 3.26Å; A361-S363 PolarHBondContact O-N 3.25Å; S363-I365 PolarHBondContact O-N 3.16Å
364A94.6Very high94.2Very high65 Ų6560.9 Ų60.954%0.53736%0.359SS..  trans-54.8122.6-177.100000112.6F356 A361F356-A364 WeakPolarHBondContact O-CA 3.4Å; A361-A364 HydrophobicContact CB-CB 4.18Å; A361-A364 PolarHBondContact O-N 3.24Å
365I95.5Very high94Very high17 Ų1756.2 Ų56.29%0.08734%0.338CS..  trans-90.8152.6175.558.6165.9000111.3E326 F330 F356 L357 S363 L367 I394E326-I365 HydrophobicContact CB-CG2 4.03Å; E326-I365 HydrophobicContact CG-CG2 3.83Å; F330-I365 HydrophobicContact CB-CD1 4.28Å; F330-I365 HydrophobicContact CB-CG2 3.96Å; F330-I365 HydrophobicContact CD1-CD1 3.53Å; F330-I365 HydrophobicContact CD2-CD1 3.83Å; F330-I365 HydrophobicContact CE1-CD1 3.68Å; F330-I365 HydrophobicContact CE2-CD1 3.97Å; F330-I365 HydrophobicContact CG-CD1 3.6Å; F330-I365 HydrophobicContact CG-CG2 4.44Å; F330-I365 HydrophobicContact CZ-CD1 3.9Å; F356-I365 HydrophobicContact CB-CG1 4.34Å; F356-I365 HydrophobicContact CB-CG2 4.41Å; F356-I365 HydrophobicContact CD1-CG2 4.06Å; F356-I365 PolarHBondContact O-N 2.85Å; L357-I365 HydrophobicContact CD2-CD1 3.75Å; L357-I365 HydrophobicContact CD2-CG1 3.52Å; L357-I365 HydrophobicContact CG-CD1 4.35Å; L357-I365 HydrophobicContact CG-CG1 4.31Å; S363-I365 PolarHBondContact O-N 3.16Å; I365-L367 HydrophobicContact CD1-CD1 4.1Å; I365-L367 HydrophobicContact CD1-CD2 4.11Å; I365-L367 HydrophobicContact CD1-CG 3.87Å; I365-L367 HydrophobicContact CG1-CG 4.21Å; I365-I394 HydrophobicContact CB-CD1 4.22Å; I365-I394 HydrophobicContact CD1-CD1 3.89Å; I365-I394 HydrophobicContact CD1-CG1 3.79Å
366N89.3Confident93.8Very high126 Ų12655.1 Ų55.167%0.67434%0.337SS*.  trans-86.1113174.1-170.216.9000110.2
367L92.3Very high93.6Very high22 Ų2261.2 Ų61.212%0.11537%0.366CS..  trans-119.6148.7174.2-74.2-175.5000110.6L357 I365 A390 H393 I394L357-L367 HydrophobicContact CD1-CD1 4.23Å; L357-L367 HydrophobicContact CD2-CD1 3.35Å; L357-L367 HydrophobicContact CD2-CG 4.06Å; L357-L367 HydrophobicContact CG-CD1 4.44Å; I365-L367 HydrophobicContact CD1-CD1 4.1Å; I365-L367 HydrophobicContact CD1-CD2 4.11Å; I365-L367 HydrophobicContact CD1-CG 3.87Å; I365-L367 HydrophobicContact CG1-CG 4.21Å; L367-A390 HydrophobicContact CD1-CB 3.6Å; L367-A390 HydrophobicContact CD2-CB 4.14Å; L367-H393 HydrophobicContact CD2-CB 4.12Å; L367-I394 HydrophobicContact CD2-CD1 3.78Å; L367-I394 HydrophobicContact CD2-CG1 3.69Å
368D91.8Very high93.4Very high65 Ų6563.5 Ų63.535%0.34838%0.378SS..  trans-65.1156166.765.941.7000111.8H370 S371 Y372 H393D368-H370 PolarHBondContact O-N 3.49Å; D368-H370 PolarHBondContact OD1-N 3.27Å; D368-S371 PolarHBondContact O-N 2.83Å; D368-S371 WeakPolarHBondContact OD1-CB 3.38Å; D368-S371 PolarHBondContact OD1-N 3.44Å; D368-S371 PolarHBondContact OD1-OG 2.59Å; D368-S371 PolarHBondContact OD2-OG 3.3Å; D368-Y372 WeakPolarHBondContact O-CB 3.33Å; D368-Y372 PolarHBondContact O-N 3.04Å; D368-H393 IonicContact OD2-CE1 3.69Å; D368-H393 PolarHBondContact OD2-CE1 3.47Å; D368-H393 IonicContact OD2-CG 3.79Å; D368-H393 IonicContact OD2-ND1 3.44Å; D368-H393 PolarHBondContact OD2-ND1 3.37Å
369S91.8Very high93.4Very high91 Ų9164.3 Ų64.364%0.63638%0.382SS*.Hα-helixtrans-59.9-36.3-175.157.90000112.3Y372 E373S369-Y372 PolarHBondContact O-N 3.1Å; S369-E373 WeakPolarHBondContact O-CB 3.43Å; S369-E373 VanDerWaalsContact O-CG 3.27Å; S369-E373 WeakPolarHBondContact O-CG 3.45Å; S369-E373 PolarHBondContact O-N 2.94Å
370H92.3Very high93.3Very high120 Ų12067 Ų6756%0.55638%0.382SS*.Hα-helixtrans-65.5-50-178.6-176.359.4000112.1D368 Y372 E373 I374D368-H370 PolarHBondContact O-N 3.49Å; D368-H370 PolarHBondContact OD1-N 3.27Å; H370-Y372 VanDerWaalsContact C-N 3.31Å; H370-Y372 PolarHBondContact O-N 3.01Å; H370-E373 PolarHBondContact O-N 2.9Å; H370-I374 WeakPolarHBondContact NE2-CD1 3.45Å; H370-I374 WeakPolarHBondContact O-CG1 3.41Å; H370-I374 PolarHBondContact O-N 3.26Å
371S93Very high93.2Very high10 Ų1070.1 Ų70.17%0.0738%0.379CS..Hα-helixtrans-65.4-37.6179.2-53.70000111D368 T375D368-S371 PolarHBondContact O-N 2.83Å; D368-S371 WeakPolarHBondContact OD1-CB 3.38Å; D368-S371 PolarHBondContact OD1-N 3.44Å; D368-S371 PolarHBondContact OD1-OG 2.59Å; D368-S371 PolarHBondContact OD2-OG 3.3Å; S371-T375 VanDerWaalsContact O-CB 3.25Å; S371-T375 WeakPolarHBondContact O-CB 3.44Å; S371-T375 PolarHBondContact O-N 2.8Å; S371-T375 PolarHBondContact O-OG1 2.83Å
372Y94.3Very high92.9Very high79 Ų7970.8 Ų70.831%0.3139%0.387SS..Hα-helixtrans-63.7-46.2175.2-175-90.7000111.9W353 L357 D368 S369 H370 T375 S376W353-Y372 HydrophobicContact CH2-CE2 4.02Å; W353-Y372 AromaticContact CH2-CZ 3.86Å; W353-Y372 HydrophobicContact CZ3-CE2 4.47Å; L357-Y372 HydrophobicContact CB-CE2 4.49Å; L357-Y372 HydrophobicContact CD2-CD2 4.34Å; L357-Y372 WeakPolarHBondContact O-CE2 3.41Å; L357-Y372 PolarHBondContact O-OH 2.82Å; D368-Y372 WeakPolarHBondContact O-CB 3.33Å; D368-Y372 PolarHBondContact O-N 3.04Å; S369-Y372 PolarHBondContact O-N 3.1Å; H370-Y372 VanDerWaalsContact C-N 3.31Å; H370-Y372 PolarHBondContact O-N 3.01Å; Y372-T375 PolarHBondContact O-N 3.14Å; Y372-S376 VanDerWaalsContact O-CB 3.27Å; Y372-S376 WeakPolarHBondContact O-CB 3.41Å; Y372-S376 PolarHBondContact O-N 3.01Å
373E93.8Very high92.9Very high115 Ų11566.9 Ų66.954%0.53737%0.367SS..Hα-helixtrans-61.3-47178.3-78.3172.4-16200112.4S369 H370 S376 Q377S369-E373 WeakPolarHBondContact O-CB 3.43Å; S369-E373 VanDerWaalsContact O-CG 3.27Å; S369-E373 WeakPolarHBondContact O-CG 3.45Å; S369-E373 PolarHBondContact O-N 2.94Å; H370-E373 PolarHBondContact O-N 2.9Å; E373-S376 PolarHBondContact O-N 2.78Å; E373-Q377 WeakPolarHBondContact O-CG 3.48Å; E373-Q377 PolarHBondContact O-N 2.98Å; E373-Q377 VanDerWaalsContact O-N 3.11Å
374I93.3Very high92.9Very high41 Ų4169.4 Ų69.421%0.2137%0.373CS..Hα-helixtrans-61-49.2177.2-69.3170.1000110.2H370 S376 Q377 N378 D389H370-I374 WeakPolarHBondContact NE2-CD1 3.45Å; H370-I374 WeakPolarHBondContact O-CG1 3.41Å; H370-I374 PolarHBondContact O-N 3.26Å; I374-S376 VanDerWaalsContact C-N 3.32Å; I374-S376 PolarHBondContact O-N 3.42Å; I374-Q377 PolarHBondContact O-N 2.93Å; I374-Q377 VanDerWaalsContact O-N 3.14Å; I374-N378 WeakPolarHBondContact CG2-ND2 3.39Å; I374-N378 VanDerWaalsContact O-CG 3.23Å; I374-N378 PolarHBondContact O-N 3.38Å; I374-D389 HydrophobicContact CG2-CB 4.45Å; I374-D389 WeakPolarHBondContact CG2-OD2 3.46Å
375T94Very high93Very high0 Ų073.5 Ų73.50%038%0.376CS..Hα-helixtrans-61-42.8-179.7-56.90000111.1W353 L357 S371 Y372 Q377 N378 V379 F387W353-T375 HydrophobicContact CE3-CG2 4.47Å; W353-T375 HydrophobicContact CZ3-CG2 4.23Å; L357-T375 HydrophobicContact CD1-CG2 3.84Å; S371-T375 VanDerWaalsContact O-CB 3.25Å; S371-T375 WeakPolarHBondContact O-CB 3.44Å; S371-T375 PolarHBondContact O-N 2.8Å; S371-T375 PolarHBondContact O-OG1 2.83Å; Y372-T375 PolarHBondContact O-N 3.14Å; T375-Q377 VanDerWaalsContact C-N 3.27Å; T375-Q377 PolarHBondContact O-N 3.02Å; T375-N378 PolarHBondContact O-N 2.98Å; T375-N378 VanDerWaalsContact O-N 3.16Å; T375-V379 HydrophobicContact CG2-CG2 4.29Å; T375-V379 VanDerWaalsContact O-CG2 3.26Å; T375-V379 WeakPolarHBondContact O-CG2 3.21Å; T375-V379 PolarHBondContact O-N 3.16Å; T375-F387 HydrophobicContact CG2-CD1 3.45Å; T375-F387 VanDerWaalsContact CG2-CD1 3.45Å; T375-F387 HydrophobicContact CG2-CE1 3.79Å; T375-F387 HydrophobicContact CG2-CG 4.49Å
376S93.7Very high93.1Very high42 Ų4273 Ų7329%0.29437%0.373SS..Hα-helixtrans-60.7-34.9177.5-173.10000112.8Y372 E373 I374Y372-S376 VanDerWaalsContact O-CB 3.27Å; Y372-S376 WeakPolarHBondContact O-CB 3.41Å; Y372-S376 PolarHBondContact O-N 3.01Å; E373-S376 PolarHBondContact O-N 2.78Å; I374-S376 VanDerWaalsContact C-N 3.32Å; I374-S376 PolarHBondContact O-N 3.42Å
377Q93.8Very high93.5Very high131 Ų13167 Ų6761%0.61234%0.341SS*.Hα-helixtrans-72.5-45.5173.2-68.2178.916.700111.5E373 I374 T375 V379 K380E373-Q377 WeakPolarHBondContact O-CG 3.48Å; E373-Q377 PolarHBondContact O-N 2.98Å; E373-Q377 VanDerWaalsContact O-N 3.11Å; I374-Q377 PolarHBondContact O-N 2.93Å; I374-Q377 VanDerWaalsContact O-N 3.14Å; T375-Q377 VanDerWaalsContact C-N 3.27Å; T375-Q377 PolarHBondContact O-N 3.02Å; Q377-V379 VanDerWaalsContact C-N 3.28Å; Q377-V379 PolarHBondContact O-N 3.4Å; Q377-K380 WeakPolarHBondContact O-CB 3.47Å; Q377-K380 PolarHBondContact O-N 3.13Å
378N93.1Very high93.7Very high59 Ų5970 Ų7032%0.31636%0.355SS..Hα-helixtrans-63.6-30.8-178.3-69-13.6000113.3I374 T375 K380 D381 T386I374-N378 WeakPolarHBondContact CG2-ND2 3.39Å; I374-N378 VanDerWaalsContact O-CG 3.23Å; I374-N378 PolarHBondContact O-N 3.38Å; T375-N378 PolarHBondContact O-N 2.98Å; T375-N378 VanDerWaalsContact O-N 3.16Å; N378-K380 PolarHBondContact O-N 3.24Å; N378-D381 CarbonylContact O-C 3.57Å; N378-D381 VanDerWaalsContact O-C 3.3Å; N378-D381 PolarHBondContact O-N 2.95Å; N378-T386 HydrophobicContact CB-CG2 3.95Å; N378-T386 PolarHBondContact ND2-O 3.23Å
379V93.8Very high93.8Very high24 Ų2469.8 Ų69.815%0.14535%0.354CS..G310 helixtrans-64.9-25.1178.3168.50000112V349 W353 T375 Q377 D381 G382 T386 F387V349-V379 HydrophobicContact CG1-CB 4.46Å; V349-V379 HydrophobicContact CG1-CG1 4.14Å; V349-V379 HydrophobicContact CG1-CG2 4.15Å; W353-V379 HydrophobicContact CB-CG1 4.42Å; W353-V379 HydrophobicContact CD2-CG1 4.37Å; W353-V379 HydrophobicContact CD2-CG2 4.24Å; W353-V379 HydrophobicContact CE3-CG2 3.77Å; W353-V379 HydrophobicContact CG-CG1 4.24Å; W353-V379 HydrophobicContact CZ3-CG2 4.37Å; T375-V379 HydrophobicContact CG2-CG2 4.29Å; T375-V379 VanDerWaalsContact O-CG2 3.26Å; T375-V379 WeakPolarHBondContact O-CG2 3.21Å; T375-V379 PolarHBondContact O-N 3.16Å; Q377-V379 VanDerWaalsContact C-N 3.28Å; Q377-V379 PolarHBondContact O-N 3.4Å; V379-D381 VanDerWaalsContact C-N 3.25Å; V379-D381 PolarHBondContact O-N 3.07Å; V379-G382 PolarHBondContact O-N 2.67Å; V379-T386 HydrophobicContact CB-CG2 4.22Å; V379-T386 HydrophobicContact CG2-CG2 3.43Å; V379-T386 VanDerWaalsContact CG2-CG2 3.43Å; V379-F387 HydrophobicContact CG2-CE1 4.02Å; V379-F387 HydrophobicContact CG2-CZ 4.16Å
380K91.3Very high94Very high175 Ų17565.5 Ų65.576%0.76132%0.323SS*.G310 helixtrans-64.2-30178.6-61.9178.6-1781760113.2Q377 N378Q377-K380 WeakPolarHBondContact O-CB 3.47Å; Q377-K380 PolarHBondContact O-N 3.13Å; N378-K380 PolarHBondContact O-N 3.24Å
381D90.1Very high94.3Very high149 Ų14960.3 Ų60.380%0.79730%0.299SS*.G310 helixtrans-127.669.3172.6-171.621.6000108.6N378 V379 G383N378-D381 CarbonylContact O-C 3.57Å; N378-D381 VanDerWaalsContact O-C 3.3Å; N378-D381 PolarHBondContact O-N 2.95Å; V379-D381 VanDerWaalsContact C-N 3.25Å; V379-D381 PolarHBondContact O-N 3.07Å; D381-G383 PolarHBondContact O-N 2.93Å
382G89.4Confident94.4Very high28 Ų2864.7 Ų64.729%0.28932%0.319SS..  trans-62.2129.6-169.300000114V379 T386V379-G382 PolarHBondContact O-N 2.67Å; G382-T386 WeakPolarHBondContact CA-OG1 3.3Å
383G93.8Very high94.5Very high26 Ų2663.2 Ų63.227%0.26832%0.315SS..  trans-139.4-177.1175.400000112.3D381 Y385 T386D381-G383 PolarHBondContact O-N 2.93Å; G383-Y385 PolarHBondContact O-N 3.27Å; G383-T386 PolarHBondContact N-OG1 3.45Å; G383-T386 WeakPolarHBondContact O-CB 3.4Å; G383-T386 PolarHBondContact O-N 2.91Å; G383-T386 PolarHBondContact O-OG1 2.9Å; G383-T386 VanDerWaalsContact O-OG1 3.08Å
384R96.8Very high94.6Very high73 Ų7357.8 Ų57.828%0.27529%0.289SS..THydrogen-bonded Turntrans-60.2-21.9-178.8-66.9-179.8-173.5-90.5-12.2113.8K338 Q340 V345K338-R384 WeakPolarHBondContact CG-O 3.28Å; K338-R384 PolarHBondContact O-NH1 3.38Å; Q340-R384 PolarHBondContact O-NH1 3.1Å; Q340-R384 PolarHBondContact O-NH2 2.98Å; V345-R384 HydrophobicContact CG1-CG 4.43Å; V345-R384 HydrophobicContact CG2-CG 4.02Å
385Y96.5Very high94.8Very high150 Ų15057.5 Ų57.559%0.58829%0.286SS*.THydrogen-bonded Turntrans-110.511.3-172.9-56.2-67.7000112.6G383 F387 E388G383-Y385 PolarHBondContact O-N 3.27Å; Y385-F387 PolarHBondContact O-N 2.97Å; Y385-E388 HydrophobicContact CD1-CG 4.02Å; Y385-E388 VanDerWaalsContact CD1-OE1 3.32Å; Y385-E388 WeakPolarHBondContact CD1-OE1 3.29Å; Y385-E388 HydrophobicContact CG-CG 4.46Å; Y385-E388 WeakPolarHBondContact O-CG 3.47Å; Y385-E388 PolarHBondContact O-N 2.86Å
386T96.9Very high94.9Very high6 Ų662.9 Ų62.94%0.03731%0.309CS..THydrogen-bonded Turntrans-55.6-36.3-177.4-72.20000113.7V349 N378 V379 G382 G383V349-T386 HydrophobicContact CG1-CG2 3.95Å; N378-T386 HydrophobicContact CB-CG2 3.95Å; N378-T386 PolarHBondContact ND2-O 3.23Å; V379-T386 HydrophobicContact CB-CG2 4.22Å; V379-T386 HydrophobicContact CG2-CG2 3.43Å; V379-T386 VanDerWaalsContact CG2-CG2 3.43Å; G382-T386 WeakPolarHBondContact CA-OG1 3.3Å; G383-T386 PolarHBondContact N-OG1 3.45Å; G383-T386 WeakPolarHBondContact O-CB 3.4Å; G383-T386 PolarHBondContact O-N 2.91Å; G383-T386 PolarHBondContact O-OG1 2.9Å; G383-T386 VanDerWaalsContact O-OG1 3.08Å
387F97.7Very high95Very high0 Ų063.7 Ų63.70%031%0.31CS..THydrogen-bonded Turntrans-103.519.2-175.8-56.8-77.3000113.6F330 V334 L337 V349 I352 W353 L357 T375 V379 Y385 D389 A390 Q391F330-F387 HydrophobicContact CE2-CD1 4.18Å; F330-F387 HydrophobicContact CZ-CB 4.21Å; F330-F387 HydrophobicContact CZ-CD1 4.28Å; F330-F387 HydrophobicContact CZ-CG 4.48Å; V334-F387 HydrophobicContact CB-CB 4.46Å; V334-F387 HydrophobicContact CG1-CB 3.86Å; V334-F387 HydrophobicContact CG2-CB 3.65Å; V334-F387 HydrophobicContact CG2-CD2 4.11Å; V334-F387 HydrophobicContact CG2-CG 3.99Å; L337-F387 HydrophobicContact CD2-CD2 3.59Å; L337-F387 HydrophobicContact CD2-CE2 3.81Å; V349-F387 HydrophobicContact CB-CE2 4.27Å; V349-F387 HydrophobicContact CG1-CE2 4.05Å; V349-F387 HydrophobicContact CG1-CZ 4.01Å; V349-F387 HydrophobicContact CG2-CE2 4.15Å; V349-F387 WeakPolarHBondContact O-CZ 3.24Å; I352-F387 HydrophobicContact CB-CE2 3.89Å; I352-F387 HydrophobicContact CB-CZ 3.88Å; I352-F387 HydrophobicContact CD1-CE2 4.27Å; I352-F387 HydrophobicContact CG2-CD1 4.41Å; I352-F387 HydrophobicContact CG2-CD2 4.17Å; I352-F387 HydrophobicContact CG2-CE1 4.01Å; I352-F387 HydrophobicContact CG2-CE2 3.73Å; I352-F387 HydrophobicContact CG2-CG 4.5Å; I352-F387 HydrophobicContact CG2-CZ 3.65Å; W353-F387 HydrophobicContact CB-CZ 4.38Å; W353-F387 HydrophobicContact CE3-CE1 4.47Å; L357-F387 HydrophobicContact CD1-CD1 4.02Å; L357-F387 HydrophobicContact CD1-CE1 3.97Å; T375-F387 HydrophobicContact CG2-CD1 3.45Å; T375-F387 VanDerWaalsContact CG2-CD1 3.45Å; T375-F387 HydrophobicContact CG2-CE1 3.79Å; T375-F387 HydrophobicContact CG2-CG 4.49Å; V379-F387 HydrophobicContact CG2-CE1 4.02Å; V379-F387 HydrophobicContact CG2-CZ 4.16Å; Y385-F387 PolarHBondContact O-N 2.97Å; F387-D389 PolarHBondContact O-N 3.34Å; F387-A390 PolarHBondContact O-N 3.08Å; F387-Q391 WeakPolarHBondContact O-CB 3.26Å; F387-Q391 PolarHBondContact O-N 3.42Å
388E95.8Very high95.2Very high86 Ų8657.4 Ų57.440%0.40228%0.281SS..Hα-helixtrans-60.3-47.9-175.7-74.5-143.5134.800113.4K338 Y385 Q391 E392K338-E388 IonicContact NZ-OE1 2.92Å; K338-E388 PolarHBondContact NZ-OE1 3.23Å; Y385-E388 HydrophobicContact CD1-CG 4.02Å; Y385-E388 VanDerWaalsContact CD1-OE1 3.32Å; Y385-E388 WeakPolarHBondContact CD1-OE1 3.29Å; Y385-E388 HydrophobicContact CG-CG 4.46Å; Y385-E388 WeakPolarHBondContact O-CG 3.47Å; Y385-E388 PolarHBondContact O-N 2.86Å; E388-Q391 PolarHBondContact O-N 2.86Å; E388-E392 WeakPolarHBondContact O-CB 3.41Å; E388-E392 PolarHBondContact O-N 3.35Å
389D94.5Very high95.4Very high61 Ų6159 Ų5933%0.32629%0.285SS..Hα-helixtrans-61.1-48.1179.2-58-89.3000111.6I374 F387 Q391 E392 H393I374-D389 HydrophobicContact CG2-CB 4.45Å; I374-D389 WeakPolarHBondContact CG2-OD2 3.46Å; F387-D389 PolarHBondContact O-N 3.34Å; D389-Q391 PolarHBondContact O-N 3.16Å; D389-E392 PolarHBondContact O-N 2.88Å; D389-H393 PolarHBondContact O-N 2.88Å
390A96.7Very high95.5Very high0 Ų062.2 Ų62.20%031%0.308CS..Hα-helixtrans-61.4-42.617600000112.3F330 L367 F387 H393 I394F330-A390 HydrophobicContact CE1-CB 4.11Å; F330-A390 HydrophobicContact CZ-CB 3.75Å; L367-A390 HydrophobicContact CD1-CB 3.6Å; L367-A390 HydrophobicContact CD2-CB 4.14Å; F387-A390 PolarHBondContact O-N 3.08Å; A390-H393 PolarHBondContact O-N 2.81Å; A390-I394 VanDerWaalsContact O-CG1 3.29Å; A390-I394 WeakPolarHBondContact O-CG1 3.28Å; A390-I394 PolarHBondContact O-N 3.45Å
391Q97.3Very high95.7Very high11 Ų1157 Ų575%0.05129%0.288CS..Hα-helixtrans-64.3-41.4178.3-177178.947.600111.7W331 V334 F387 E388 D389 Y395W331-Q391 VanDerWaalsContact CD1-CG 3.47Å; W331-Q391 HydrophobicContact CG-CG 4.35Å; W331-Q391 PolarHBondContact O-NE2 2.95Å; V334-Q391 HydrophobicContact CB-CG 4.4Å; V334-Q391 HydrophobicContact CG1-CB 4.06Å; V334-Q391 VanDerWaalsContact CG1-CD 3.44Å; V334-Q391 HydrophobicContact CG1-CG 4.15Å; F387-Q391 WeakPolarHBondContact O-CB 3.26Å; F387-Q391 PolarHBondContact O-N 3.42Å; E388-Q391 PolarHBondContact O-N 2.86Å; D389-Q391 PolarHBondContact O-N 3.16Å; Q391-Y395 VanDerWaalsContact O-CB 3.25Å; Q391-Y395 WeakPolarHBondContact O-CB 3.33Å; Q391-Y395 PolarHBondContact O-N 2.94Å
392E96.1Very high96Very high102 Ų10250 Ų5048%0.47725%0.252SS..Hα-helixtrans-65.4-43.1177.4-173.1178.2-178.300111.3E388 D389 Y395 K396E388-E392 WeakPolarHBondContact O-CB 3.41Å; E388-E392 PolarHBondContact O-N 3.35Å; D389-E392 PolarHBondContact O-N 2.88Å; E392-Y395 PolarHBondContact O-N 3.47Å; E392-K396 VanDerWaalsContact CD-NZ 3.34Å; E392-K396 HydrophobicContact CG-CD 4.28Å; E392-K396 WeakPolarHBondContact O-CG 3.27Å; E392-K396 PolarHBondContact O-N 3.4Å; E392-K396 WeakPolarHBondContact OE1-CE 3.31Å; E392-K396 IonicContact OE1-NZ 3.94Å; E392-K396 PolarHBondContact OE1-NZ 3.01Å
393H96.1Very high96.5Very high49 Ų4949.6 Ų49.623%0.22724%0.241CC..Hα-helixtrans-57.3-53.4175-176.795.4000111.2L367 D368 D389 A390 Y395 K396 L397L367-H393 HydrophobicContact CD2-CB 4.12Å; D368-H393 IonicContact OD2-CE1 3.69Å; D368-H393 PolarHBondContact OD2-CE1 3.47Å; D368-H393 IonicContact OD2-CG 3.79Å; D368-H393 IonicContact OD2-ND1 3.44Å; D368-H393 PolarHBondContact OD2-ND1 3.37Å; D389-H393 PolarHBondContact O-N 2.88Å; A390-H393 PolarHBondContact O-N 2.81Å; H393-Y395 VanDerWaalsContact C-N 3.34Å; H393-Y395 PolarHBondContact O-N 2.94Å; H393-K396 PolarHBondContact O-N 3.08Å; H393-L397 WeakPolarHBondContact O-CB 3.34Å; H393-L397 PolarHBondContact O-N 3.33Å
394I97.1Very high96.6Very high0 Ų049.9 Ų49.90%024%0.242CC..Hα-helixtrans-64-37.9-179.2-66.2-63.7000112N327 F330 I365 L367 A390 L397 M398N327-I394 HydrophobicContact CB-CG2 3.88Å; N327-I394 VanDerWaalsContact O-CG2 3.31Å; N327-I394 WeakPolarHBondContact O-CG2 3.4Å; F330-I394 HydrophobicContact CD1-CB 4.21Å; F330-I394 HydrophobicContact CD1-CG1 3.89Å; F330-I394 HydrophobicContact CD1-CG2 4.2Å; F330-I394 HydrophobicContact CE1-CB 4.41Å; F330-I394 HydrophobicContact CE1-CG1 3.98Å; I365-I394 HydrophobicContact CB-CD1 4.22Å; I365-I394 HydrophobicContact CD1-CD1 3.89Å; I365-I394 HydrophobicContact CD1-CG1 3.79Å; L367-I394 HydrophobicContact CD2-CD1 3.78Å; L367-I394 HydrophobicContact CD2-CG1 3.69Å; A390-I394 VanDerWaalsContact O-CG1 3.29Å; A390-I394 WeakPolarHBondContact O-CG1 3.28Å; A390-I394 PolarHBondContact O-N 3.45Å; I394-L397 HydrophobicContact CD1-CD2 4.44Å; I394-L397 PolarHBondContact O-N 2.69Å; I394-M398 HydrophobicContact CG2-CE 3.85Å; I394-M398 HydrophobicContact CG2-SD 4.49Å; I394-M398 WeakPolarHBondContact O-CG 3.27Å; I394-M398 PolarHBondContact O-N 3.34Å
395Y97.4Very high96.7Very high36 Ų3650.3 Ų50.314%0.14124%0.243CC..Hα-helixtrans-61.4-47.6174.3174.9-85.6000111.7F302 D303 L306 W331 Q391 E392 H393 L397 M398 K399F302-Y395 AromaticContact CD1-CD2 3.86Å; F302-Y395 HydrophobicContact CD1-CD2 3.86Å; F302-Y395 HydrophobicContact CD1-CE1 4.34Å; F302-Y395 AromaticContact CD1-CE2 3.48Å; F302-Y395 HydrophobicContact CD1-CE2 3.48Å; F302-Y395 VanDerWaalsContact CD1-CE2 3.48Å; F302-Y395 HydrophobicContact CD1-CG 4.46Å; F302-Y395 AromaticContact CD1-CZ 3.74Å; F302-Y395 AromaticContact CE1-CD2 3.73Å; F302-Y395 HydrophobicContact CE1-CD2 3.73Å; F302-Y395 AromaticContact CE1-CE2 3.84Å; F302-Y395 HydrophobicContact CE1-CE2 3.84Å; F302-Y395 HydrophobicContact CE1-CG 4.29Å; D303-Y395 PolarHBondContact OD1-OH 2.68Å; D303-Y395 PolarHBondContact OD2-OH 2.73Å; L306-Y395 HydrophobicContact CD1-CD2 4.01Å; L306-Y395 HydrophobicContact CD1-CE2 3.8Å; W331-Y395 HydrophobicContact CZ2-CD2 4.33Å; W331-Y395 AromaticContact NE1-CD2 3.66Å; Q391-Y395 VanDerWaalsContact O-CB 3.25Å; Q391-Y395 WeakPolarHBondContact O-CB 3.33Å; Q391-Y395 PolarHBondContact O-N 2.94Å; E392-Y395 PolarHBondContact O-N 3.47Å; H393-Y395 VanDerWaalsContact C-N 3.34Å; H393-Y395 PolarHBondContact O-N 2.94Å; Y395-L397 VanDerWaalsContact C-N 3.35Å; Y395-L397 PolarHBondContact O-N 3.14Å; Y395-M398 PolarHBondContact O-N 3.11Å; Y395-K399 HydrophobicContact CD1-CD 4.48Å; Y395-K399 HydrophobicContact CE1-CB 4.46Å; Y395-K399 HydrophobicContact CE1-CD 3.6Å; Y395-K399 WeakPolarHBondContact O-CB 3.45Å; Y395-K399 PolarHBondContact O-N 2.93Å; Y395-K399 PolarHBondContact OH-NZ 3.27Å
396K96.1Very high96.8Very high113 Ų11343.2 Ų43.249%0.49122%0.215SC..Hα-helixtrans-64.4-39.4179-73.8173.9-176.3165.50112E392 H393 K399 S400E392-K396 VanDerWaalsContact CD-NZ 3.34Å; E392-K396 HydrophobicContact CG-CD 4.28Å; E392-K396 WeakPolarHBondContact O-CG 3.27Å; E392-K396 PolarHBondContact O-N 3.4Å; E392-K396 WeakPolarHBondContact OE1-CE 3.31Å; E392-K396 IonicContact OE1-NZ 3.94Å; E392-K396 PolarHBondContact OE1-NZ 3.01Å; H393-K396 PolarHBondContact O-N 3.08Å; K396-K399 PolarHBondContact O-N 2.95Å; K396-S400 WeakPolarHBondContact O-CB 3.43Å; K396-S400 PolarHBondContact O-N 3.31Å; K396-S400 PolarHBondContact O-OG 2.97Å
397L95.3Very high96.8Very high58 Ų5844.7 Ų44.730%0.30422%0.223SC..Hα-helixtrans-58.4-55.8174-179.263.9000111.2H393 I394 Y395 K399 S400 D401H393-L397 WeakPolarHBondContact O-CB 3.34Å; H393-L397 PolarHBondContact O-N 3.33Å; I394-L397 HydrophobicContact CD1-CD2 4.44Å; I394-L397 PolarHBondContact O-N 2.69Å; Y395-L397 VanDerWaalsContact C-N 3.35Å; Y395-L397 PolarHBondContact O-N 3.14Å; L397-K399 VanDerWaalsContact C-N 3.34Å; L397-K399 PolarHBondContact O-N 3.48Å; L397-S400 PolarHBondContact O-N 3.33Å; L397-S400 PolarHBondContact O-OG 2.82Å; L397-D401 PolarHBondContact O-N 3.22Å
398M97Very high96.8Very high0 Ų053.2 Ų53.20%026%0.255CS..Hα-helixtrans-62.1-40.4178.5-70.1-171.6-65.500112.4F302 F315 N327 L328 W331 I394 Y395 S400 S402 Y403F302-M398 HydrophobicContact CE1-CB 3.86Å; F302-M398 HydrophobicContact CE1-CE 4.3Å; F302-M398 HydrophobicContact CE2-CB 4.44Å; F302-M398 HydrophobicContact CZ-CB 3.53Å; F302-M398 HydrophobicContact CZ-CE 4Å; F302-M398 HydrophobicContact CZ-SD 4.33Å; F315-M398 HydrophobicContact CE1-SD 4.35Å; N327-M398 HydrophobicContact CB-CG 3.92Å; N327-M398 HydrophobicContact CB-SD 3.76Å; L328-M398 HydrophobicContact CB-SD 3.92Å; L328-M398 HydrophobicContact CD1-CE 4.48Å; L328-M398 HydrophobicContact CD1-SD 4.43Å; W331-M398 HydrophobicContact CB-CE 3.87Å; W331-M398 HydrophobicContact CG-CE 4.11Å; I394-M398 HydrophobicContact CG2-CE 3.85Å; I394-M398 HydrophobicContact CG2-SD 4.49Å; I394-M398 WeakPolarHBondContact O-CG 3.27Å; I394-M398 PolarHBondContact O-N 3.34Å; Y395-M398 PolarHBondContact O-N 3.11Å; M398-S400 VanDerWaalsContact C-N 3.34Å; M398-S400 PolarHBondContact O-N 3.11Å; M398-S402 PolarHBondContact O-N 3.19Å; M398-S402 VanDerWaalsContact O-N 3.17Å; M398-Y403 VanDerWaalsContact O-CB 3.29Å; M398-Y403 WeakPolarHBondContact O-CB 3.48Å; M398-Y403 PolarHBondContact O-N 3.36Å
399K97.4Very high96.8Very high92 Ų9250 Ų5040%0.424%0.242SC..Hα-helixtrans-61.5-41.9-179.4-178.1166.8-175.7163.80112.5F302 Y395 K396 L397F302-K399 HydrophobicContact CB-CB 4.32Å; F302-K399 HydrophobicContact CB-CD 4.23Å; F302-K399 HydrophobicContact CB-CG 3.92Å; F302-K399 HydrophobicContact CD1-CB 3.6Å; F302-K399 HydrophobicContact CD1-CD 4.39Å; F302-K399 HydrophobicContact CD1-CG 4.11Å; F302-K399 HydrophobicContact CE1-CB 4.15Å; F302-K399 HydrophobicContact CG-CB 4.14Å; F302-K399 HydrophobicContact CG-CG 4.3Å; Y395-K399 HydrophobicContact CD1-CD 4.48Å; Y395-K399 HydrophobicContact CE1-CB 4.46Å; Y395-K399 HydrophobicContact CE1-CD 3.6Å; Y395-K399 WeakPolarHBondContact O-CB 3.45Å; Y395-K399 PolarHBondContact O-N 2.93Å; Y395-K399 PolarHBondContact OH-NZ 3.27Å; K396-K399 PolarHBondContact O-N 2.95Å; L397-K399 VanDerWaalsContact C-N 3.34Å; L397-K399 PolarHBondContact O-N 3.48Å
400S96.1Very high96.8Very high91 Ų9153 Ų5364%0.63626%0.258SS*.Hα-helixtrans-84.3-29.5-174.556.30000113.3K396 L397 M398K396-S400 WeakPolarHBondContact O-CB 3.43Å; K396-S400 PolarHBondContact O-N 3.31Å; K396-S400 PolarHBondContact O-OG 2.97Å; L397-S400 PolarHBondContact O-N 3.33Å; L397-S400 PolarHBondContact O-OG 2.82Å; M398-S400 VanDerWaalsContact C-N 3.34Å; M398-S400 PolarHBondContact O-N 3.11Å
401D95.9Very high96.7Very high65 Ų6555.3 Ų55.335%0.34828%0.277SS..THydrogen-bonded Turntrans-112.8-75.1-177.8178.148.7000112.7L397 Y403 A404 R405L397-D401 PolarHBondContact O-N 3.22Å; D401-Y403 PolarHBondContact O-N 2.92Å; D401-A404 PolarHBondContact O-N 2.94Å; D401-A404 VanDerWaalsContact O-N 3.11Å; D401-R405 PolarHBondContact O-N 3.13Å; D401-R405 IonicContact OD1-CZ 3.73Å; D401-R405 IonicContact OD1-NE 3.44Å; D401-R405 PolarHBondContact OD1-NE 2.83Å; D401-R405 IonicContact OD1-NH2 2.65Å; D401-R405 IonicContact OD2-CZ 3.93Å; D401-R405 IonicContact OD2-NE 3.01Å; D401-R405 PolarHBondContact OD2-NE 3.05Å; D401-R405 IonicContact OD2-NH2 3.35Å; D401-R405 PolarHBondContact OD2-NH2 3.33Å
402S97.1Very high96.6Very high4 Ų455.4 Ų55.43%0.02828%0.277CS..Hα-helixtrans-61.3-40.4-168.2-380000113.3M398 R405 F406M398-S402 PolarHBondContact O-N 3.19Å; M398-S402 VanDerWaalsContact O-N 3.17Å; S402-R405 PolarHBondContact O-N 3.1Å; S402-F406 WeakPolarHBondContact O-CB 3.39Å; S402-F406 PolarHBondContact O-N 3.2Å
403Y98.3Very high96.6Very high18 Ų1853.9 Ų53.97%0.07127%0.27CS..Hα-helixtrans-65.9-42.9176.1172.7-113.4000112W298 G299 S301 F302 I305 M398 D401 R405 F406 L407W298-Y403 PolarHBondContact O-OH 2.97Å; G299-Y403 VanDerWaalsContact C-OH 3.3Å; G299-Y403 WeakPolarHBondContact CA-OH 3.45Å; G299-Y403 PolarHBondContact O-OH 3.39Å; S301-Y403 PolarHBondContact N-OH 3.03Å; S301-Y403 PolarHBondContact O-OH 3.23Å; F302-Y403 HydrophobicContact CB-CD1 3.93Å; F302-Y403 HydrophobicContact CB-CD2 4.49Å; F302-Y403 HydrophobicContact CB-CE1 4.1Å; F302-Y403 HydrophobicContact CB-CG 4.13Å; F302-Y403 HydrophobicContact CD2-CD1 4.19Å; F302-Y403 AromaticContact CD2-CD2 3.57Å; F302-Y403 HydrophobicContact CD2-CD2 3.57Å; F302-Y403 HydrophobicContact CD2-CE2 4.26Å; F302-Y403 AromaticContact CD2-CG 3.52Å; F302-Y403 HydrophobicContact CD2-CG 3.52Å; F302-Y403 HydrophobicContact CE2-CD2 4.29Å; F302-Y403 HydrophobicContact CE2-CG 4.26Å; F302-Y403 HydrophobicContact CG-CD1 4.37Å; F302-Y403 HydrophobicContact CG-CD2 4.46Å; F302-Y403 HydrophobicContact CG-CG 4.12Å; I305-Y403 HydrophobicContact CB-CE2 4.4Å; I305-Y403 HydrophobicContact CG2-CD2 3.87Å; I305-Y403 HydrophobicContact CG2-CE2 3.64Å; M398-Y403 VanDerWaalsContact O-CB 3.29Å; M398-Y403 WeakPolarHBondContact O-CB 3.48Å; M398-Y403 PolarHBondContact O-N 3.36Å; D401-Y403 PolarHBondContact O-N 2.92Å; Y403-R405 VanDerWaalsContact C-N 3.27Å; Y403-R405 PolarHBondContact O-N 3.43Å; Y403-F406 WeakPolarHBondContact O-CB 3.4Å; Y403-F406 PolarHBondContact O-N 3.3Å; Y403-L407 HydrophobicContact CD2-CG 4.35Å; Y403-L407 HydrophobicContact CE1-CD1 3.81Å; Y403-L407 HydrophobicContact CE1-CG 4.42Å; Y403-L407 HydrophobicContact CE2-CD1 4.08Å; Y403-L407 HydrophobicContact CE2-CD2 3.89Å; Y403-L407 HydrophobicContact CE2-CG 3.92Å; Y403-L407 WeakPolarHBondContact O-CG 3.26Å; Y403-L407 PolarHBondContact O-N 2.67Å
404A97.4Very high96.5Very high33 Ų3356.5 Ų56.527%0.27329%0.285SS..Hα-helixtrans-65.2-31.9176.700000112.1D401 R408D401-A404 PolarHBondContact O-N 2.94Å; D401-A404 VanDerWaalsContact O-N 3.11Å; A404-R408 PolarHBondContact O-NE 2.94Å
405R97.9Very high96.4Very high82 Ų8258.7 Ų58.731%0.30930%0.297SS..Hα-helixtrans-72.7-43.1171.3-69.7-167.7-76.9126.40.6111.8F318 E322 D401 S402 Y403 L407 R408 S409F318-R405 HydrophobicContact CE1-CB 4.44Å; F318-R405 HydrophobicContact CZ-CB 4.03Å; E322-R405 IonicContact OE1-NH1 3.11Å; E322-R405 PolarHBondContact OE1-NH1 2.7Å; E322-R405 IonicContact OE2-CZ 2.83Å; E322-R405 IonicContact OE2-NH1 2.84Å; E322-R405 PolarHBondContact OE2-NH1 2.82Å; E322-R405 IonicContact OE2-NH2 3.26Å; D401-R405 PolarHBondContact O-N 3.13Å; D401-R405 IonicContact OD1-CZ 3.73Å; D401-R405 IonicContact OD1-NE 3.44Å; D401-R405 PolarHBondContact OD1-NE 2.83Å; D401-R405 IonicContact OD1-NH2 2.65Å; D401-R405 IonicContact OD2-CZ 3.93Å; D401-R405 IonicContact OD2-NE 3.01Å; D401-R405 PolarHBondContact OD2-NE 3.05Å; D401-R405 IonicContact OD2-NH2 3.35Å; D401-R405 PolarHBondContact OD2-NH2 3.33Å; S402-R405 PolarHBondContact O-N 3.1Å; Y403-R405 VanDerWaalsContact C-N 3.27Å; Y403-R405 PolarHBondContact O-N 3.43Å; R405-L407 PolarHBondContact O-N 3.18Å; R405-R408 CarbonylContact O-C 3.58Å; R405-R408 PolarHBondContact O-N 3.02Å; R405-S409 PolarHBondContact O-N 3.4Å
406F98.2Very high96.1Very high1 Ų158.7 Ų58.70%0.00430%0.299CS..Hα-helixtrans-54.8-48.6175.4172.6-102.9000112.3I305 Q314 F315 F318 S402 Y403 R408 S409 Y412I305-F406 HydrophobicContact CD1-CD1 3.7Å; I305-F406 HydrophobicContact CD1-CE1 3.22Å; I305-F406 HydrophobicContact CD1-CZ 3.86Å; Q314-F406 HydrophobicContact CB-CE2 4.49Å; Q314-F406 HydrophobicContact CB-CZ 4.36Å; F315-F406 HydrophobicContact CD2-CB 3.74Å; F315-F406 HydrophobicContact CD2-CD1 4.12Å; F315-F406 AromaticContact CD2-CD2 3.94Å; F315-F406 HydrophobicContact CD2-CD2 3.94Å; F315-F406 AromaticContact CD2-CG 3.65Å; F315-F406 HydrophobicContact CD2-CG 3.65Å; F315-F406 HydrophobicContact CE2-CB 3.75Å; F315-F406 HydrophobicContact CE2-CG 4.19Å; F318-F406 HydrophobicContact CB-CD2 3.69Å; F318-F406 HydrophobicContact CB-CE2 4.15Å; F318-F406 HydrophobicContact CD1-CB 3.77Å; F318-F406 AromaticContact CD1-CD2 3.89Å; F318-F406 HydrophobicContact CD1-CD2 3.89Å; F318-F406 HydrophobicContact CD1-CG 4.31Å; F318-F406 HydrophobicContact CD2-CD2 4.3Å; F318-F406 HydrophobicContact CE1-CB 3.82Å; F318-F406 HydrophobicContact CG-CB 4.34Å; F318-F406 AromaticContact CG-CD2 3.68Å; F318-F406 HydrophobicContact CG-CD2 3.68Å; F318-F406 HydrophobicContact CZ-CB 4.42Å; S402-F406 WeakPolarHBondContact O-CB 3.39Å; S402-F406 PolarHBondContact O-N 3.2Å; Y403-F406 WeakPolarHBondContact O-CB 3.4Å; Y403-F406 PolarHBondContact O-N 3.3Å; F406-R408 PolarHBondContact O-N 3.49Å; F406-R408 VanDerWaalsContact O-N 3.16Å; F406-S409 VanDerWaalsContact O-CB 3.3Å; F406-S409 WeakPolarHBondContact O-CB 3.47Å; F406-S409 PolarHBondContact O-N 2.69Å; F406-S409 PolarHBondContact O-OG 2.79Å; F406-Y412 HydrophobicContact CD1-CD2 4.43Å; F406-Y412 AromaticContact CE1-CD2 3.6Å; F406-Y412 HydrophobicContact CE1-CD2 3.6Å; F406-Y412 HydrophobicContact CE1-CE2 4.45Å; F406-Y412 HydrophobicContact CE1-CG 4.08Å; F406-Y412 AromaticContact CZ-CD2 3.97Å; F406-Y412 HydrophobicContact CZ-CD2 3.97Å; F406-Y412 HydrophobicContact CZ-CG 4.4Å; F406-Y412 VanDerWaalsContact O-CB 3.27Å; F406-Y412 WeakPolarHBondContact O-CB 3.15Å
407L97.5Very high95.8Very high36 Ų3659 Ų5919%0.18831%0.306CS..Hα-helixtrans-62.8-23.4179.2-66.2-174.8000113.9Y403 R405 Y412 Q413Y403-L407 HydrophobicContact CD2-CG 4.35Å; Y403-L407 HydrophobicContact CE1-CD1 3.81Å; Y403-L407 HydrophobicContact CE1-CG 4.42Å; Y403-L407 HydrophobicContact CE2-CD1 4.08Å; Y403-L407 HydrophobicContact CE2-CD2 3.89Å; Y403-L407 HydrophobicContact CE2-CG 3.92Å; Y403-L407 WeakPolarHBondContact O-CG 3.26Å; Y403-L407 PolarHBondContact O-N 2.67Å; R405-L407 PolarHBondContact O-N 3.18Å; L407-Y412 HydrophobicContact CB-CD1 4.48Å; L407-Y412 HydrophobicContact CD2-CD1 4.15Å; L407-Y412 HydrophobicContact CD2-CD2 4.17Å; L407-Y412 HydrophobicContact CD2-CE1 3.91Å; L407-Y412 HydrophobicContact CD2-CE2 3.94Å; L407-Y412 HydrophobicContact CD2-CG 4.26Å; L407-Y412 VanDerWaalsContact O-CD1 3.25Å; L407-Y412 WeakPolarHBondContact O-CD1 3.15Å; L407-Q413 PolarHBondContact O-NE2 2.95Å
408R96.9Very high95Very high180 Ų18059.2 Ų59.268%0.67932%0.315SS*.Hα-helixtrans-93.6-8.9176-69.6179.8-70.4-1692.7113.1A404 R405 F406A404-R408 PolarHBondContact O-NE 2.94Å; R405-R408 CarbonylContact O-C 3.58Å; R405-R408 PolarHBondContact O-N 3.02Å; F406-R408 PolarHBondContact O-N 3.49Å; F406-R408 VanDerWaalsContact O-N 3.16Å
409S96.9Very high93.3Very high19 Ų1967.5 Ų67.513%0.13335%0.352CS..SBendtrans-73.4151.7-177.9760000111.7R405 F406 A411 Y412 Q413R405-S409 PolarHBondContact O-N 3.4Å; F406-S409 VanDerWaalsContact O-CB 3.3Å; F406-S409 WeakPolarHBondContact O-CB 3.47Å; F406-S409 PolarHBondContact O-N 2.69Å; F406-S409 PolarHBondContact O-OG 2.79Å; S409-A411 PolarHBondContact O-N 3.16Å; S409-Y412 PolarHBondContact O-N 3.21Å; S409-Y412 PolarHBondContact OG-N 3.23Å; S409-Q413 WeakPolarHBondContact O-CG 3.38Å; S409-Q413 PolarHBondContact O-N 3.4Å; S409-Q413 VanDerWaalsContact O-N 3.09Å
410N95.1Very high91.3Very high123 Ų12371.3 Ų71.366%0.65837%0.368SS*.Hα-helixtrans-58.6-33.4172.6-65.9-19.1000111.4Y412 Q413 D414N410-Y412 VanDerWaalsContact C-N 3.31Å; N410-Y412 PolarHBondContact O-N 2.96Å; N410-Q413 PolarHBondContact O-N 3.43Å; N410-D414 VanDerWaalsContact O-CB 3.24Å; N410-D414 WeakPolarHBondContact O-CB 3.35Å; N410-D414 PolarHBondContact O-N 3.38Å
411A93.1Very high88.4Confident48 Ų4876.1 Ų76.140%0.39738%0.377SS..Hα-helixtrans-56.8-42.3178.300000112.8S409 L415S409-A411 PolarHBondContact O-N 3.16Å; A411-L415 WeakPolarHBondContact O-CD1 3.28Å; A411-L415 WeakPolarHBondContact O-CG 3.15Å
412Y96.4Very high85.5Confident14 Ų1478.5 Ų78.56%0.05540%0.396CS..Hα-helixtrans-77.9-43.2175.5176-102000112.3V295 W298 F406 L407 S409 N410 D414 L415 L416V295-Y412 HydrophobicContact CG1-CD2 4.2Å; V295-Y412 HydrophobicContact CG1-CE2 3.73Å; V295-Y412 PolarHBondContact O-OH 3.33Å; W298-Y412 HydrophobicContact CB-CE2 4.39Å; W298-Y412 HydrophobicContact CE3-CE2 4.38Å; F406-Y412 HydrophobicContact CD1-CD2 4.43Å; F406-Y412 AromaticContact CE1-CD2 3.6Å; F406-Y412 HydrophobicContact CE1-CD2 3.6Å; F406-Y412 HydrophobicContact CE1-CE2 4.45Å; F406-Y412 HydrophobicContact CE1-CG 4.08Å; F406-Y412 AromaticContact CZ-CD2 3.97Å; F406-Y412 HydrophobicContact CZ-CD2 3.97Å; F406-Y412 HydrophobicContact CZ-CG 4.4Å; F406-Y412 VanDerWaalsContact O-CB 3.27Å; F406-Y412 WeakPolarHBondContact O-CB 3.15Å; L407-Y412 HydrophobicContact CB-CD1 4.48Å; L407-Y412 HydrophobicContact CD2-CD1 4.15Å; L407-Y412 HydrophobicContact CD2-CD2 4.17Å; L407-Y412 HydrophobicContact CD2-CE1 3.91Å; L407-Y412 HydrophobicContact CD2-CE2 3.94Å; L407-Y412 HydrophobicContact CD2-CG 4.26Å; L407-Y412 VanDerWaalsContact O-CD1 3.25Å; L407-Y412 WeakPolarHBondContact O-CD1 3.15Å; S409-Y412 PolarHBondContact O-N 3.21Å; S409-Y412 PolarHBondContact OG-N 3.23Å; N410-Y412 VanDerWaalsContact C-N 3.31Å; N410-Y412 PolarHBondContact O-N 2.96Å; Y412-D414 VanDerWaalsContact C-N 3.33Å; Y412-D414 PolarHBondContact O-N 3.01Å; Y412-L415 PolarHBondContact O-N 3.38Å; Y412-L416 HydrophobicContact CE1-CD2 4.05Å; Y412-L416 WeakPolarHBondContact O-CB 3.33Å; Y412-L416 PolarHBondContact O-N 3.04Å
413Q96.3Very high82.6Confident69 Ų6987.1 Ų87.132%0.32244%0.437SS..Hα-helixtrans-63.5-39-177.6-65.1-61.6-36.500112.1L407 S409 N410 L416 L417L407-Q413 PolarHBondContact O-NE2 2.95Å; S409-Q413 WeakPolarHBondContact O-CG 3.38Å; S409-Q413 PolarHBondContact O-N 3.4Å; S409-Q413 VanDerWaalsContact O-N 3.09Å; N410-Q413 PolarHBondContact O-N 3.43Å; Q413-L416 PolarHBondContact O-N 2.97Å; Q413-L417 WeakPolarHBondContact O-CB 3.45Å; Q413-L417 VanDerWaalsContact O-CG 3.25Å; Q413-L417 WeakPolarHBondContact O-CG 3.45Å; Q413-L417 PolarHBondContact O-N 2.9Å
414D93.9Very high79.5Confident104 Ų10490.2 Ų90.256%0.55646%0.461SS*.Hα-helixtrans-65-40.2176.9-67.6-21.3000111.2N410 Y412 L417 A418N410-D414 VanDerWaalsContact O-CB 3.24Å; N410-D414 WeakPolarHBondContact O-CB 3.35Å; N410-D414 PolarHBondContact O-N 3.38Å; Y412-D414 VanDerWaalsContact C-N 3.33Å; Y412-D414 PolarHBondContact O-N 3.01Å; D414-L417 PolarHBondContact O-N 2.69Å; D414-A418 VanDerWaalsContact O-CB 3.32Å; D414-A418 WeakPolarHBondContact O-CB 3.39Å; D414-A418 PolarHBondContact O-N 2.78Å
415L93.4Very high76.6Confident46 Ų4697.8 Ų97.824%0.24149%0.49CS..Hα-helixtrans-66.1-37.8174.3-70.8173.1000112.2V295 W298 Q314 A411 Y412 L417V295-L415 HydrophobicContact CG1-CB 4.03Å; V295-L415 HydrophobicContact CG2-CB 4.41Å; W298-L415 HydrophobicContact CZ3-CD1 4.19Å; Q314-L415 HydrophobicContact CB-CD1 4.39Å; Q314-L415 HydrophobicContact CG-CD1 3.86Å; A411-L415 WeakPolarHBondContact O-CD1 3.28Å; A411-L415 WeakPolarHBondContact O-CG 3.15Å; Y412-L415 PolarHBondContact O-N 3.38Å; L415-L417 VanDerWaalsContact C-N 3.34Å
416L92.9Very high73.8Confident37 Ų37102.4 Ų102.419%0.19452%0.516CS..Hα-helixtrans-70.1-32.4178-173.264.6000112Q292 V295 K296 Y412 Q413Q292-L416 WeakPolarHBondContact CG-O 3.12Å; Q292-L416 PolarHBondContact NE2-O 2.87Å; V295-L416 HydrophobicContact CG1-CB 4.27Å; V295-L416 HydrophobicContact CG1-CD1 4.3Å; K296-L416 HydrophobicContact CB-CD1 3.88Å; Y412-L416 HydrophobicContact CE1-CD2 4.05Å; Y412-L416 WeakPolarHBondContact O-CB 3.33Å; Y412-L416 PolarHBondContact O-N 3.04Å; Q413-L416 PolarHBondContact O-N 2.97Å
417L89.3Confident70.9Confident120 Ų120105.9 Ų105.963%0.62855%0.551SS**Hα-helixtrans-91.3-12.2-179.6-67174.4000113.7Q413 D414 L415 K419Q413-L417 WeakPolarHBondContact O-CB 3.45Å; Q413-L417 VanDerWaalsContact O-CG 3.25Å; Q413-L417 WeakPolarHBondContact O-CG 3.45Å; Q413-L417 PolarHBondContact O-N 2.9Å; D414-L417 PolarHBondContact O-N 2.69Å; L415-L417 VanDerWaalsContact C-N 3.34Å; L417-K419 VanDerWaalsContact C-N 3.28Å; L417-K419 PolarHBondContact O-N 2.66Å
418A78.9Confident68.2Low61 Ų61115.7 Ų115.750%0.50459%0.586SS.*  trans-62.286.4176.900000110.7D414 K420D414-A418 VanDerWaalsContact O-CB 3.32Å; D414-A418 WeakPolarHBondContact O-CB 3.39Å; D414-A418 PolarHBondContact O-N 2.78Å; A418-K420 PolarHBondContact O-N 2.97Å
419K60.7Low65.4Low175 Ų175114.9 Ų114.976%0.76158%0.583SS**  trans-66132.4166.6-70.5-171.2177.1-175.30107.7L417 K421L417-K419 VanDerWaalsContact C-N 3.28Å; L417-K419 PolarHBondContact O-N 2.66Å; K419-K421 PolarHBondContact O-N 3.48Å
420K55.7Low63Low172 Ų172118.1 Ų118.175%0.74860%0.602SS**  trans-51114.7155.7-83.4-173.9174.3-178.90106.1A418A418-K420 PolarHBondContact O-N 2.97Å
421K33.9Very low60.8Low191 Ų191117.3 Ų117.383%0.8361%0.606SS**  trans-54.4126156.6-85.9-178.5176.5175.80104.3K419 E423K419-K421 PolarHBondContact O-N 3.48Å; K421-E423 PolarHBondContact O-N 2.88Å
422P36.2Very low58.6Low115 Ų115121.3 Ų121.375%0.74762%0.62SS**  trans-53.4123.4163.724-29.2000104.5S424P422-S424 VanDerWaalsContact C-N 3.31Å; P422-S424 PolarHBondContact O-N 3.2Å
423E35.8Very low56.1Low186 Ų186125.4 Ų125.487%0.86964%0.64SS**  trans-49.4112.6162.2-76.9-174.7150.600104.7K421 E425K421-E423 PolarHBondContact O-N 2.88Å; E423-E425 PolarHBondContact O-N 2.83Å
424S33.3Very low53.8Low82 Ų82129.3 Ų129.357%0.57366%0.656SS**  trans-46.4132172.147.60000106.9P422 Q426P422-S424 VanDerWaalsContact C-N 3.31Å; P422-S424 PolarHBondContact O-N 3.2Å; S424-Q426 PolarHBondContact O-N 2.75Å
425E37.2Very low51.5Low193 Ų193131.3 Ų131.390%0.90266%0.66SS**SBendtrans-58.868.7171.7-70.4-17613100111.3E423E423-E425 PolarHBondContact O-N 2.83Å
426Q39Very low49.5Very low179 Ų179133.6 Ų133.684%0.83668%0.675SS**  trans-116.766.8168.2-81.5176.2-18.600106.1S424S424-Q426 PolarHBondContact O-N 2.75Å
427G36.4Very low47.4Very low73 Ų73140 Ų14075%0.75370%0.697SS**SBendtrans-177.4-28.2177.200000117.7R429G427-R429 VanDerWaalsContact C-N 3.27Å; G427-R429 PolarHBondContact O-N 3.25Å
428R40.1Very low45.3Very low243 Ų243138.3 Ų138.392%0.91770%0.695SS**  trans-85.966176.3-85.4-177.1173.7166.6-1.2111.9T430R428-T430 PolarHBondContact O-N 3.46Å
429R39.4Very low44Very low162 Ų162139 Ų13961%0.61169%0.693SS**  trans-72.5109.3154.3-94.1-176174142.95.5107.7G427G427-R429 VanDerWaalsContact C-N 3.27Å; G427-R429 PolarHBondContact O-N 3.25Å
430T45.4Very low43.3Very low87 Ų87133.4 Ų133.453%0.53469%0.685SS.*  trans-55.6142.7174.754.40000110.2R428 L432 E433R428-T430 PolarHBondContact O-N 3.46Å; T430-L432 PolarHBondContact O-N 3.07Å; T430-E433 PolarHBondContact O-N 2.91Å; T430-E433 VanDerWaalsContact O-N 3.09Å
431S50.2Low42.8Very low106 Ų106134.1 Ų134.174%0.74169%0.688SS**Hα-helixtrans-52.7-22.2179.4-170.70000113.2F435S431-F435 PolarHBondContact O-N 2.89Å
432L46.1Very low43.3Very low133 Ų133129.9 Ų129.970%0.69668%0.682SS**Hα-helixtrans-70.4-34.5179.8-160.965.2000113.5T430 F435 T436T430-L432 PolarHBondContact O-N 3.07Å; L432-F435 PolarHBondContact O-N 2.86Å; L432-T436 PolarHBondContact O-N 3.12Å; L432-T436 PolarHBondContact O-OG1 3.49Å
433E44.6Very low43.7Very low100 Ų100131.7 Ų131.747%0.46769%0.685SS.*Hα-helixtrans-76.4-25.7178.1-72.5-167151.900113.3T430 F435 T436T430-E433 PolarHBondContact O-N 2.91Å; T430-E433 VanDerWaalsContact O-N 3.09Å; E433-F435 VanDerWaalsContact C-N 3.34Å; E433-T436 PolarHBondContact O-OG1 3.29Å
434K47.4Very low44Very low151 Ų151127.5 Ų127.566%0.65768%0.682SS**Hα-helixtrans-71.4-32.2172.5-75.9-178.6-179.9174.90111.4S438K434-S438 PolarHBondContact O-N 3.43Å
435F46.3Very low44.4Very low146 Ų146126.2 Ų126.264%0.6468%0.682SS**Hα-helixtrans-72.5-43.2179.8-158.2-98.2000112.3S431 L432 E433 R437 S438 V439S431-F435 PolarHBondContact O-N 2.89Å; L432-F435 PolarHBondContact O-N 2.86Å; E433-F435 VanDerWaalsContact C-N 3.34Å; F435-R437 PolarHBondContact O-N 3.32Å; F435-S438 PolarHBondContact O-N 2.67Å; F435-V439 HydrophobicContact CD1-CG2 4.32Å; F435-V439 HydrophobicContact CE1-CG2 4.1Å; F435-V439 PolarHBondContact O-N 3.21Å
436T50.5Low44.5Very low93 Ų93126.7 Ų126.757%0.57168%0.681SS**Hα-helixtrans-68.4-31.6-178.553.50000113.3L432 E433 G440L432-T436 PolarHBondContact O-N 3.12Å; L432-T436 PolarHBondContact O-OG1 3.49Å; E433-T436 PolarHBondContact O-OG1 3.29Å; T436-G440 PolarHBondContact O-N 2.82Å
437R48.9Very low44.3Very low171 Ų171130 Ų13065%0.64569%0.686SS**Hα-helixtrans-75.1-27.3172.9-77.6-173.3-170.5-168.61.8114.3F435F435-R437 PolarHBondContact O-N 3.32Å
438S45.8Very low44.3Very low85 Ų85134.6 Ų134.659%0.59469%0.692SS**Hα-helixtrans-72.8-39.7178.1-1720000111.5K434 F435K434-S438 PolarHBondContact O-N 3.43Å; F435-S438 PolarHBondContact O-N 2.67Å
439V50.3Low43.9Very low77 Ų77130 Ų13047%0.46769%0.691SS.*Hα-helixtrans-75.8-35.8179.3-178.20000111.9F435 K441 S442F435-V439 HydrophobicContact CD1-CG2 4.32Å; F435-V439 HydrophobicContact CE1-CG2 4.1Å; F435-V439 PolarHBondContact O-N 3.21Å; V439-K441 VanDerWaalsContact C-N 3.35Å; V439-K441 PolarHBondContact O-N 3.44Å; V439-S442 PolarHBondContact O-N 2.96Å
440G46.8Very low43.5Very low57 Ų57125.2 Ų125.259%0.58869%0.692SS**Hα-helixtrans-71-20.5179.400000115.7T436T436-G440 PolarHBondContact O-N 2.82Å
441K45.8Very low42.9Very low186 Ų186128.7 Ų128.781%0.80971%0.707SS**Hα-helixtrans-91.1-12.2176.4-80.1-173.4174.4-1740114.2V439V439-K441 VanDerWaalsContact C-N 3.35Å; V439-K441 PolarHBondContact O-N 3.44Å
442S42.9Very low42.1Very low102 Ų102130.3 Ų130.371%0.71371%0.705SS**Hα-helixtrans-87.4-14.6-178-163.20000113.8V439V439-S442 PolarHBondContact O-N 2.96Å
443L45Very low41.5Very low154 Ų154131.6 Ų131.681%0.80671%0.707SS**SBendtrans-102.7-1-175.2-82.3157.2000115.4
444A42Very low41Very low97 Ų97131.7 Ų131.780%0.80272%0.719SS**SBendtrans-114.824.3-178.200000114.1
445G42.2Very low40.4Very low55 Ų55133.7 Ų133.757%0.56775%0.752SS**SBendtrans-153.658.5-175.300000113.6
446K39Very low40.1Very low204 Ų204133.1 Ų133.189%0.88776%0.757SS**  trans-175.681.3158.5-100.4156.8-171.5-173.30111.6
447R35.2Very low39.5Very low248 Ų248135.2 Ų135.294%0.93677%0.767SS**  trans-12590.9146.7-96.5-175.1174.9179-1.4105.5
448L35.8Very low39Very low169 Ų169133.2 Ų133.289%0.88577%0.774SS**  59.490.9107.5-98.4104.2000113.3
449T32.3Very low38.6Very low146 Ų146136 Ų13690%0.89678%0.784SS**  trans-101.8134146.841.90000107.8
450G32Very low37.9Very low62 Ų62139.7 Ų139.764%0.63980%0.804SS**  trans16897.4168.900000114.6
451L32.7Very low37.3Very low161 Ų161145.2 Ų145.284%0.84382%0.819SS**  trans68.5149.3153.1-72.6106.7000117.9
452M32.1Very low36.7Very low140 Ų140142.3 Ų142.369%0.6982%0.819SS**  cis-178.1157.8-19.8-116.2178.490.400104.2
453Q33.3Very low36.2Very low159 Ų159145.4 Ų145.474%0.74383%0.827SS**  trans82.8116.9150.5-77.2174.4-10.900122.6
454S35.3Very low35.5Very low103 Ų103144.7 Ų144.772%0.7283%0.829SS**  trans48.4119.8134.365.70000118
455S34Very low34.9Very low192 Ų192149 Ų149100%1.34383%0.832SS**  -169058.8-63.30000110

Retrieved 455 of 455 residues in 162.5 ms (Link to these results)

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