A0A077ZMV6_TRITR Loading...

Calcium-transporting ATPase

Catalyzes the hydrolysis of ATP coupled with the transport of calcium.

AlphaFold DB , UniProt , Accession A0A077ZMV6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 724 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
1M86.4Confident90.9Very high36 Ų3681 Ų8118%0.17739%0.391CS..  0-60.40-68.5-165.479.400113.7K3 D4 N5 N6 V8 C14 I408 A421 W424M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 3.36Å; M1-D4 CarbonylContact O-C 3.6Å; M1-D4 VanDerWaalsContact O-CA 3.23Å; M1-D4 WeakPolarHBondContact O-CA 3.44Å; M1-D4 WeakPolarHBondContact O-CB 3.01Å; M1-D4 PolarHBondContact O-N 3.27Å; M1-N5 PolarHBondContact O-N 2.98Å; M1-N6 CarbonylContact C-O 3.59Å; M1-N6 VanDerWaalsContact C-O 3.24Å; M1-N6 HydrophobicContact CB-CB 4.27Å; M1-N6 HydrophobicContact CE-CB 3.97Å; M1-N6 PolarHBondContact O-N 3.22Å; M1-V8 HydrophobicContact CB-CG2 4.27Å; M1-V8 HydrophobicContact CE-CG2 3.5Å; M1-V8 HydrophobicContact SD-CG2 3.61Å; M1-C14 HydrophobicContact SD-CB 4.08Å; M1-C14 PolarHBondContact SD-SG 2.93Å; M1-I408 HydrophobicContact CE-CD1 4.39Å; M1-A421 HydrophobicContact CE-CB 4.05Å; M1-W424 HydrophobicContact CE-CB 4.35Å; M1-W424 HydrophobicContact CG-CB 3.74Å; M1-W424 HydrophobicContact CG-CD2 3.68Å; M1-W424 HydrophobicContact CG-CE3 4.31Å; M1-W424 HydrophobicContact CG-CG 3.38Å; M1-W424 HydrophobicContact SD-CB 3.86Å; M1-W424 HydrophobicContact SD-CG 4.19Å
2M91Very high90.5Very high138 Ų13883 Ų8368%0.6841%0.406SS*.G310 helixtrans-60.1-41.7179.9-168.7177.1-171.200112.9D4 N5 N6M2-D4 PolarHBondContact O-N 3.19Å; M2-D4 VanDerWaalsContact O-N 3.16Å; M2-N5 PolarHBondContact O-N 3.18Å; M2-N6 WeakPolarHBondContact CA-O 3.34Å; M2-N6 PolarHBondContact N-O 3.49Å
3K90.8Very high90.4Very high207 Ų20776.8 Ų76.890%0.938%0.376SS*.G310 helixtrans-61.5-18170.4-67-174.9178.8-179.60114.1M1M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 3.36Å
4D91.2Very high90.1Very high39 Ų3972.3 Ų72.321%0.20936%0.356CS..G310 helixtrans-102.226.5175.4-76.1-52.8000111.4M1 M2 N6 K420 W424M1-D4 CarbonylContact O-C 3.6Å; M1-D4 VanDerWaalsContact O-CA 3.23Å; M1-D4 WeakPolarHBondContact O-CA 3.44Å; M1-D4 WeakPolarHBondContact O-CB 3.01Å; M1-D4 PolarHBondContact O-N 3.27Å; M2-D4 PolarHBondContact O-N 3.19Å; M2-D4 VanDerWaalsContact O-N 3.16Å; D4-N6 PolarHBondContact O-N 3.33Å; D4-N6 PolarHBondContact O-ND2 3.13Å; D4-K420 HydrophobicContact CB-CB 4.39Å; D4-K420 HydrophobicContact CB-CD 3.77Å; D4-K420 WeakPolarHBondContact OD1-CD 3.47Å; D4-K420 IonicContact OD1-NZ 2.71Å; D4-K420 PolarHBondContact OD1-NZ 2.96Å; D4-W424 PolarHBondContact OD2-NE1 3.35Å
5N93.8Very high89.7Confident56 Ų5672.7 Ų72.730%0.29936%0.357SS..THydrogen-bonded Turntrans61.223.9177-56.1-33.5000115.5M1 M2 L410 T411 D412M1-N5 PolarHBondContact O-N 2.98Å; M2-N5 PolarHBondContact O-N 3.18Å; N5-L410 WeakPolarHBondContact O-CA 3.32Å; N5-T411 WeakPolarHBondContact CA-OG1 3.48Å; N5-T411 VanDerWaalsContact CB-OG1 3.26Å; N5-T411 WeakPolarHBondContact CB-OG1 3.3Å; N5-T411 PolarHBondContact O-N 3.41Å; N5-T411 PolarHBondContact O-OG1 2.74Å; N5-D412 HydrophobicContact CB-CB 4.01Å; N5-D412 VanDerWaalsContact CB-CG 3.48Å; N5-D412 PolarHBondContact ND2-OD2 3.2Å
6N93.7Very high89.7Confident1 Ų170.9 Ų70.91%0.00535%0.351CS..EExtended strand (participates in β ladder)trans-115.8106.1175.8-72.4-88.7000110.1M1 M2 D4 I408 L410 S417M1-N6 CarbonylContact C-O 3.59Å; M1-N6 VanDerWaalsContact C-O 3.24Å; M1-N6 HydrophobicContact CB-CB 4.27Å; M1-N6 HydrophobicContact CE-CB 3.97Å; M1-N6 PolarHBondContact O-N 3.22Å; M2-N6 WeakPolarHBondContact CA-O 3.34Å; M2-N6 PolarHBondContact N-O 3.49Å; D4-N6 PolarHBondContact O-N 3.33Å; D4-N6 PolarHBondContact O-ND2 3.13Å; N6-I408 HydrophobicContact CB-CG2 4.08Å; N6-L410 VanDerWaalsContact OD1-CD2 3.28Å; N6-L410 WeakPolarHBondContact OD1-CD2 3.34Å; N6-S417 PolarHBondContact ND2-O 3.25Å; N6-S417 PolarHBondContact OD1-O 3.01Å
7L95.5Very high89.7Confident68 Ų6866.7 Ų66.736%0.35633%0.33SS..EExtended strand (participates in β ladder)trans-87.9108170.5175.264.4000108.9I408 I409 T411L7-I408 CarbonylContact O-C 3.57Å; L7-I408 WeakPolarHBondContact O-CA 3.33Å; L7-I409 HydrophobicContact CB-CB 4.21Å; L7-I409 HydrophobicContact CD2-CB 4.46Å; L7-I409 HydrophobicContact CD2-CD1 4.22Å; L7-I409 PolarHBondContact N-O 3.18Å; L7-I409 PolarHBondContact O-N 3.24Å; L7-T411 HydrophobicContact CB-CG2 4.14Å
8V93.6Very high89.7Confident35 Ų3563.1 Ų63.121%0.21231%0.312CS..EExtended strand (participates in β ladder)trans-87.1119-178.8-177.30000109.2M1 H10 L11 I408M1-V8 HydrophobicContact CB-CG2 4.27Å; M1-V8 HydrophobicContact CE-CG2 3.5Å; M1-V8 HydrophobicContact SD-CG2 3.61Å; V8-H10 WeakPolarHBondContact CG1-O 3.44Å; V8-L11 HydrophobicContact CG1-CD2 4.45Å; V8-I408 HydrophobicContact CG2-CG1 4.48Å
9R92.3Very high89.7Confident75 Ų7560.8 Ų60.828%0.28330%0.302SS..SBendtrans-89-41.4174.8-59.5176.772.9-137.96.3111.3K403 E404 S406 D407 I409R9-K403 PolarHBondContact NH1-O 2.96Å; R9-E404 IonicContact CZ-OE1 2.66Å; R9-E404 IonicContact CZ-OE2 3.52Å; R9-E404 PolarHBondContact NH1-O 2.69Å; R9-E404 IonicContact NH2-OE1 3.11Å; R9-E404 PolarHBondContact NH2-OE1 3.18Å; R9-E404 IonicContact NH2-OE2 3.41Å; R9-E404 PolarHBondContact NH2-OE2 3.05Å; R9-S406 WeakPolarHBondContact CD-O 3.42Å; R9-S406 PolarHBondContact NH1-O 2.72Å; R9-D407 WeakPolarHBondContact CB-O 3.45Å; R9-D407 PolarHBondContact N-O 2.77Å; R9-I409 HydrophobicContact CG-CD1 4.26Å
10H88.3Confident89.8Confident87 Ų8757.8 Ų57.840%0.40329%0.287SS..SBendtrans-113.4117.5177.7-62.9-57.3000109.9V8 D12 A13 D407V8-H10 WeakPolarHBondContact CG1-O 3.44Å; H10-D12 VanDerWaalsContact C-N 3.34Å; H10-D12 WeakPolarHBondContact CB-OD1 3.26Å; H10-D12 PolarHBondContact O-N 3.03Å; H10-A13 HydrophobicContact CB-CB 4.42Å; H10-A13 VanDerWaalsContact O-CB 3.24Å; H10-A13 WeakPolarHBondContact O-CB 3.44Å; H10-A13 PolarHBondContact O-N 3.12Å; H10-D407 HydrophobicContact CB-CB 4.23Å; H10-D407 IonicContact CD2-OD1 3.84Å; H10-D407 PolarHBondContact CD2-OD1 3.02Å; H10-D407 IonicContact CG-OD1 2.63Å; H10-D407 PolarHBondContact N-O 2.78Å
11L83.6Confident90Very high149 Ų14955.8 Ų55.878%0.7828%0.278SS*.Hα-helixtrans-66.9-33.8-170.2-68.9174.4000113.1V8 A13 C14V8-L11 HydrophobicContact CG1-CD2 4.45Å; L11-A13 PolarHBondContact O-N 2.72Å; L11-C14 WeakPolarHBondContact O-CB 3.3Å; L11-C14 PolarHBondContact O-N 2.98Å
12D86.2Confident90.4Very high105 Ų10554 Ų5456%0.56127%0.269SS*.Hα-helixtrans-64.5-26.5175.661-29.2000113H10 C14 E15 T16H10-D12 VanDerWaalsContact C-N 3.34Å; H10-D12 WeakPolarHBondContact CB-OD1 3.26Å; H10-D12 PolarHBondContact O-N 3.03Å; D12-C14 PolarHBondContact O-N 3.28Å; D12-E15 PolarHBondContact O-N 3.29Å; D12-T16 WeakPolarHBondContact O-CB 3.35Å; D12-T16 PolarHBondContact O-N 2.86Å; D12-T16 PolarHBondContact O-OG1 2.85Å
13A88.2Confident90.7Very high3 Ų347.5 Ų47.53%0.02524%0.237CC..Hα-helixtrans-62.4-30.6175.100000112.3H10 L11 M17 V390 D407 I408H10-A13 HydrophobicContact CB-CB 4.42Å; H10-A13 VanDerWaalsContact O-CB 3.24Å; H10-A13 WeakPolarHBondContact O-CB 3.44Å; H10-A13 PolarHBondContact O-N 3.12Å; L11-A13 PolarHBondContact O-N 2.72Å; A13-M17 VanDerWaalsContact O-CB 3.26Å; A13-M17 WeakPolarHBondContact O-CB 3.07Å; A13-M17 PolarHBondContact O-N 3.32Å; A13-V390 HydrophobicContact CB-CG1 4.27Å; A13-V390 HydrophobicContact CB-CG2 4.44Å; A13-D407 HydrophobicContact CB-CB 3.42Å; A13-D407 VanDerWaalsContact CB-CB 3.42Å; A13-I408 HydrophobicContact CB-CD1 4.43Å; A13-I408 HydrophobicContact CB-CG1 4.31Å
14C86.6Confident91Very high13 Ų1337.7 Ų37.79%0.08820%0.195CC..Hα-helixtrans-62.8-49.9174.6-179.70000111.2M1 L11 D12 M17 G18 G425M1-C14 HydrophobicContact SD-CB 4.08Å; M1-C14 PolarHBondContact SD-SG 2.93Å; L11-C14 WeakPolarHBondContact O-CB 3.3Å; L11-C14 PolarHBondContact O-N 2.98Å; D12-C14 PolarHBondContact O-N 3.28Å; C14-M17 PolarHBondContact O-N 2.87Å; C14-G18 PolarHBondContact O-N 3.23Å; C14-G425 WeakPolarHBondContact O-CA 3.42Å
15E84.1Confident91.2Very high79 Ų7935.9 Ų35.937%0.36919%0.185SC..Hα-helixtrans-62.4-46177.7-173.9-174166.800111D12 M17 G18D12-E15 PolarHBondContact O-N 3.29Å; E15-M17 VanDerWaalsContact C-N 3.29Å; E15-M17 PolarHBondContact O-N 3.19Å; E15-G18 PolarHBondContact O-N 3.29Å
16T89.3Confident91.1Very high43 Ų4333.8 Ų33.826%0.26417%0.174SC..Hα-helixtrans-59.7-40.7179.7-56.50000111.4D12 G18 N19 A20 V371 D389 V390D12-T16 WeakPolarHBondContact O-CB 3.35Å; D12-T16 PolarHBondContact O-N 2.86Å; D12-T16 PolarHBondContact O-OG1 2.85Å; T16-G18 PolarHBondContact O-N 3.17Å; T16-N19 PolarHBondContact O-N 3.3Å; T16-A20 PolarHBondContact O-N 2.9Å; T16-V371 HydrophobicContact CG2-CG1 4Å; T16-D389 HydrophobicContact CG2-CB 3.83Å; T16-V390 HydrophobicContact CG2-CG2 3.79Å
17M90.5Very high91Very high0 Ų034.4 Ų34.40%018%0.176CC..Hα-helixtrans-62.5-28.4177-165.761.7-164.400112.9A13 C14 E15 N19 A20 I23 A373 V390 F392 I418 A421 V422A13-M17 VanDerWaalsContact O-CB 3.26Å; A13-M17 WeakPolarHBondContact O-CB 3.07Å; A13-M17 PolarHBondContact O-N 3.32Å; C14-M17 PolarHBondContact O-N 2.87Å; E15-M17 VanDerWaalsContact C-N 3.29Å; E15-M17 PolarHBondContact O-N 3.19Å; M17-N19 PolarHBondContact O-N 3.4Å; M17-A20 HydrophobicContact CE-CB 3.88Å; M17-A20 WeakPolarHBondContact O-CB 3.49Å; M17-A20 PolarHBondContact O-N 3.37Å; M17-A20 VanDerWaalsContact O-N 3.16Å; M17-A20 HydrophobicContact SD-CB 3.85Å; M17-I23 HydrophobicContact CE-CD1 4.18Å; M17-I23 HydrophobicContact CE-CG1 4.29Å; M17-A373 HydrophobicContact CE-CB 3.84Å; M17-A373 HydrophobicContact SD-CB 3.79Å; M17-V390 HydrophobicContact CB-CG2 4.17Å; M17-V390 HydrophobicContact SD-CB 4.16Å; M17-V390 HydrophobicContact SD-CG1 4.13Å; M17-V390 HydrophobicContact SD-CG2 4.24Å; M17-F392 HydrophobicContact CE-CE2 3.79Å; M17-F392 HydrophobicContact CE-CZ 3.9Å; M17-F392 HydrophobicContact CG-CZ 4.05Å; M17-F392 HydrophobicContact SD-CE2 3.53Å; M17-F392 VanDerWaalsContact SD-CE2 3.53Å; M17-F392 HydrophobicContact SD-CZ 3.65Å; M17-I418 HydrophobicContact CE-CG2 3.68Å; M17-A421 HydrophobicContact CG-CB 4.27Å; M17-V422 HydrophobicContact CE-CG2 3.35Å; M17-V422 HydrophobicContact CG-CG2 4.02Å; M17-V422 HydrophobicContact SD-CG2 4.45Å
18G88.7Confident90.5Very high1 Ų132.8 Ų32.81%0.0117%0.169CC..Hα-helixtrans-59.5-26.7173.400000113.4C14 E15 T16 G425 R426C14-G18 PolarHBondContact O-N 3.23Å; E15-G18 PolarHBondContact O-N 3.29Å; T16-G18 PolarHBondContact O-N 3.17Å; G18-G425 VanDerWaalsContact CA-C 3.46Å; G18-R426 VanDerWaalsContact O-CG 3.25Å; G18-R426 WeakPolarHBondContact O-CG 3.36Å; G18-R426 PolarHBondContact O-NE 2.7Å
19N90.1Very high89.9Confident20 Ų2031.2 Ų31.211%0.10716%0.16CC..THydrogen-bonded Turntrans-102.44.4180-70.7-55000114.2T16 M17 T21 V371 Y497T16-N19 PolarHBondContact O-N 3.3Å; M17-N19 PolarHBondContact O-N 3.4Å; N19-T21 PolarHBondContact O-N 3.35Å; N19-V371 HydrophobicContact CB-CG2 4.37Å; N19-V371 WeakPolarHBondContact O-CB 3.31Å; N19-Y497 WeakPolarHBondContact OD1-CB 3.49Å; N19-Y497 PolarHBondContact OD1-N 2.51Å
20A92.4Very high89.6Confident1 Ų127.6 Ų27.61%0.00815%0.146CC..  trans-54.9132178.300000111.7T16 M17 I282T16-A20 PolarHBondContact O-N 2.9Å; M17-A20 HydrophobicContact CE-CB 3.88Å; M17-A20 WeakPolarHBondContact O-CB 3.49Å; M17-A20 PolarHBondContact O-N 3.37Å; M17-A20 VanDerWaalsContact O-N 3.16Å; M17-A20 HydrophobicContact SD-CB 3.85Å; A20-I282 WeakPolarHBondContact O-CG1 3.25Å
21T93.5Very high89.8Confident15 Ų1523.5 Ų23.59%0.09213%0.127CC..  trans-115.4-21175.257.40000111.9N19 I282 T283 E370 V371 P496N19-T21 PolarHBondContact O-N 3.35Å; T21-I282 CarbonylContact O-C 3.58Å; T21-I282 WeakPolarHBondContact O-CA 3.44Å; T21-T283 PolarHBondContact O-N 3.09Å; T21-E370 WeakPolarHBondContact CB-OE2 3.47Å; T21-E370 WeakPolarHBondContact OG1-CA 3.39Å; T21-E370 PolarHBondContact OG1-OE2 2.83Å; T21-V371 PolarHBondContact N-O 2.81Å; T21-V371 PolarHBondContact OG1-N 3.35Å; T21-V371 PolarHBondContact OG1-O 3.2Å; T21-P496 HydrophobicContact CG2-CB 4.38Å; T21-P496 HydrophobicContact CG2-CG 3.51Å
22V95.2Very high90.2Very high0 Ų016.4 Ų16.40%09%0.09CC..EExtended strand (participates in β ladder)trans-132.1135-179.8178.40000109.9T283 R285 I360 E370 V371 V372 A373V22-T283 WeakPolarHBondContact CA-O 3.11Å; V22-R285 VanDerWaalsContact CG2-NH1 3.34Å; V22-I360 HydrophobicContact CG1-CD1 4.41Å; V22-I360 HydrophobicContact CG2-CG2 4.21Å; V22-E370 HydrophobicContact CG2-CB 4.34Å; V22-V371 PolarHBondContact N-O 2.94Å; V22-V372 HydrophobicContact CB-CG2 4.32Å; V22-V372 HydrophobicContact CG1-CG1 4.4Å; V22-A373 PolarHBondContact O-N 3.2Å
23I96.9Very high90.3Very high0 Ų013.2 Ų13.20%07%0.074CC..EExtended strand (participates in β ladder)trans-118.4116.2167.2-64.6168000107.6M17 I282 T283 V284 R285 A373 T375 F415 I418M17-I23 HydrophobicContact CE-CD1 4.18Å; M17-I23 HydrophobicContact CE-CG1 4.29Å; I23-I282 HydrophobicContact CB-CG2 4.46Å; I23-I282 HydrophobicContact CD1-CG2 3.68Å; I23-I282 HydrophobicContact CG1-CG2 3.69Å; I23-T283 PolarHBondContact N-O 3.09Å; I23-V284 HydrophobicContact CB-CG2 4.5Å; I23-V284 CarbonylContact O-C 3.54Å; I23-V284 WeakPolarHBondContact O-CA 3.34Å; I23-R285 PolarHBondContact O-N 3.24Å; I23-A373 CarbonylContact C-O 3.57Å; I23-A373 WeakPolarHBondContact CA-O 3.48Å; I23-A373 HydrophobicContact CG1-CB 4.11Å; I23-T375 HydrophobicContact CG2-CG2 4.46Å; I23-F415 HydrophobicContact CD1-CZ 4.25Å; I23-F415 HydrophobicContact CG2-CE2 3.97Å; I23-F415 HydrophobicContact CG2-CZ 4.27Å; I23-I418 HydrophobicContact CD1-CG2 3.97Å
24C96.7Very high90.2Very high2 Ų215.7 Ų15.71%0.0149%0.087CC..EExtended strand (participates in β ladder)trans-93.997.1168.9-69.30000108.3R285 V287 A373 V374 T375C24-R285 CarbonylContact C-O 3.46Å; C24-R285 WeakPolarHBondContact CA-O 3.24Å; C24-V287 HydrophobicContact CB-CG2 4.27Å; C24-A373 PolarHBondContact N-O 3.23Å; C24-V374 HydrophobicContact CB-CG2 4.21Å; C24-V374 CarbonylContact O-C 3.04Å; C24-V374 WeakPolarHBondContact O-CA 3.3Å; C24-T375 PolarHBondContact O-N 2.58Å
25S95.4Very high90.1Very high0 Ų017.8 Ų17.80%09%0.093CC..EExtended strand (participates in β ladder)trans-89.5134.8-178.3-169.60000111.2T30 R285 M286 V287 T375S25-T30 WeakPolarHBondContact OG-CG2 3.33Å; S25-R285 PolarHBondContact N-O 2.96Å; S25-M286 WeakPolarHBondContact O-CA 3.38Å; S25-V287 PolarHBondContact O-N 3.31Å; S25-T375 VanDerWaalsContact CA-OG1 3.28Å; S25-T375 WeakPolarHBondContact CA-OG1 3.39Å; S25-T375 PolarHBondContact OG-OG1 3.5Å
26D92.6Very high90.5Very high13 Ų1315.2 Ų15.27%0.078%0.082CC..  trans-66.4156.1156-160.274.9000110.1T28 K353 T375D26-T28 PolarHBondContact OD2-N 3.26Å; D26-K353 IonicContact OD1-NZ 3.02Å; D26-K353 PolarHBondContact OD1-NZ 2.76Å; D26-T375 PolarHBondContact N-O 2.79Å; D26-T375 PolarHBondContact N-OG1 3.18Å
27K91Very high90.7Very high14 Ų1415.9 Ų15.96%0.0619%0.086CC..SBendtrans-82.3-51179.8-175.8-14168.2168.30111L31 T32 D264 M286 D290 I298K27-L31 PolarHBondContact O-N 2.73Å; K27-L31 VanDerWaalsContact O-N 3.08Å; K27-T32 HydrophobicContact CD-CG2 4.3Å; K27-T32 HydrophobicContact CG-CG2 4.02Å; K27-T32 PolarHBondContact O-N 2.84Å; K27-T32 PolarHBondContact O-OG1 3.44Å; K27-T32 VanDerWaalsContact O-OG1 3.13Å; K27-D264 IonicContact NZ-OD2 3.8Å; K27-M286 HydrophobicContact CB-CG 4.33Å; K27-M286 HydrophobicContact CB-SD 4.22Å; K27-M286 HydrophobicContact CG-CE 4.24Å; K27-M286 HydrophobicContact CG-SD 4.2Å; K27-D290 WeakPolarHBondContact CD-OD2 3.41Å; K27-D290 WeakPolarHBondContact CE-OD2 3.28Å; K27-D290 IonicContact NZ-OD2 2.8Å; K27-D290 PolarHBondContact NZ-OD2 3.47Å; K27-I298 HydrophobicContact CD-CD1 3.62Å; K27-I298 HydrophobicContact CG-CD1 4.31Å; K27-I298 HydrophobicContact CG-CG2 4.16Å
28T85.7Confident90.9Very high34 Ų3416.2 Ų16.221%0.2099%0.087CC..THydrogen-bonded Turntrans-74.8136.1-166.9-50.90000109.9D26 T30 N34D26-T28 PolarHBondContact OD2-N 3.26Å; T28-T30 PolarHBondContact O-N 3.25Å; T28-N34 HydrophobicContact CG2-CB 4.05Å; T28-N34 WeakPolarHBondContact CG2-OD1 3.07Å
29G80.3Confident91.2Very high1 Ų117.7 Ų17.71%0.0110%0.096CC..THydrogen-bonded Turntrans74.1-36.2179.700000114.3T32 R267G29-T32 CarbonylContact C-O 3.58Å; G29-R267 PolarHBondContact O-NE 3.26Å; G29-R267 PolarHBondContact O-NH2 2.88Å
30T87Confident91.5Very high0 Ų019.8 Ų19.80%010%0.103CC..THydrogen-bonded Turntrans-83.8-60.5-178.1-47.10000112.4S25 T28 T375 M394 F415S25-T30 WeakPolarHBondContact OG-CG2 3.33Å; T28-T30 PolarHBondContact O-N 3.25Å; T30-T375 HydrophobicContact CG2-CG2 4.32Å; T30-T375 PolarHBondContact OG1-OG1 3.03Å; T30-M394 HydrophobicContact CG2-CE 3.9Å; T30-M394 WeakPolarHBondContact OG1-CE 3.21Å; T30-F415 HydrophobicContact CG2-CB 4.29Å; T30-F415 HydrophobicContact CG2-CD2 3.88Å
31L92.5Very high91.6Very high0 Ų019.8 Ų19.80%010%0.103CC..THydrogen-bonded Turntrans-91.2-34.1-176.8-60.9178.7000111.2K27 R267 V270 I274 M286 I304 F415K27-L31 PolarHBondContact O-N 2.73Å; K27-L31 VanDerWaalsContact O-N 3.08Å; L31-R267 PolarHBondContact O-N 3.09Å; L31-V270 HydrophobicContact CB-CG1 4.43Å; L31-V270 HydrophobicContact CD2-CG1 3.72Å; L31-I274 HydrophobicContact CD2-CD1 4.14Å; L31-M286 HydrophobicContact CD1-CE 3.46Å; L31-M286 VanDerWaalsContact CD1-CE 3.46Å; L31-M286 HydrophobicContact CD1-CG 4.27Å; L31-I304 HydrophobicContact CD1-CD1 4.02Å; L31-F415 HydrophobicContact CD2-CB 4.46Å; L31-F415 HydrophobicContact CD2-CD2 3.79Å; L31-F415 HydrophobicContact CD2-CE2 4.26Å; L31-F415 HydrophobicContact CD2-CG 4.13Å
32T91Very high91.8Very high0 Ų020.4 Ų20.40%010%0.104CC..BIsolated β-bridgetrans-109.1164.6179.6610000111.6K27 G29 N34 D264 P265 V266 R267 I298K27-T32 HydrophobicContact CD-CG2 4.3Å; K27-T32 HydrophobicContact CG-CG2 4.02Å; K27-T32 PolarHBondContact O-N 2.84Å; K27-T32 PolarHBondContact O-OG1 3.44Å; K27-T32 VanDerWaalsContact O-OG1 3.13Å; G29-T32 CarbonylContact C-O 3.58Å; T32-N34 PolarHBondContact O-N 3.29Å; T32-D264 WeakPolarHBondContact CB-OD1 3.43Å; T32-D264 WeakPolarHBondContact CB-OD2 3.4Å; T32-D264 VanDerWaalsContact OG1-CG 3.28Å; T32-D264 PolarHBondContact OG1-OD2 3Å; T32-P265 VanDerWaalsContact CA-O 3.3Å; T32-P265 WeakPolarHBondContact CA-O 3.11Å; T32-P265 WeakPolarHBondContact CB-O 3.31Å; T32-V266 HydrophobicContact CG2-CG2 4.33Å; T32-R267 PolarHBondContact O-NE 3.4Å; T32-I298 HydrophobicContact CG2-CD1 4.32Å; T32-I298 HydrophobicContact CG2-CG2 3.95Å
33T88Confident91.8Very high38 Ų3820.6 Ų20.623%0.23310%0.104CC..  trans-74.6-8.8-176.662.80000114.5R35 D264 P265 R267T33-R35 PolarHBondContact O-N 3.46Å; T33-R35 PolarHBondContact OG1-N 3.44Å; T33-D264 PolarHBondContact N-OD1 2.87Å; T33-D264 PolarHBondContact OG1-OD1 2.96Å; T33-P265 HydrophobicContact CG2-CG 4.27Å; T33-P265 PolarHBondContact N-O 3.28Å; T33-P265 WeakPolarHBondContact OG1-CG 3.32Å; T33-R267 HydrophobicContact CG2-CG 4.01Å
34N85.8Confident91.5Very high55 Ų5520.9 Ų20.929%0.29411%0.107SC..SBendtrans57.835.4-170.2-163.710.6000112.4T28 T32 D264T28-N34 HydrophobicContact CG2-CB 4.05Å; T28-N34 WeakPolarHBondContact CG2-OD1 3.07Å; T32-N34 PolarHBondContact O-N 3.29Å; N34-D264 WeakPolarHBondContact CA-OD1 3.09Å; N34-D264 PolarHBondContact N-OD1 3.1Å
35R85.8Confident91.2Very high58 Ų5825.4 Ų25.422%0.21912%0.124CC..  trans-133111.8178.6-65177.9-170.8158.78110.5T33 T37 M87 I88 D264 P265T33-R35 PolarHBondContact O-N 3.46Å; T33-R35 PolarHBondContact OG1-N 3.44Å; R35-T37 PolarHBondContact O-N 3.2Å; R35-T37 PolarHBondContact O-OG1 3.11Å; R35-M87 PolarHBondContact NH2-SD 2.88Å; R35-I88 PolarHBondContact NE-O 3.44Å; R35-I88 PolarHBondContact NH2-O 3.41Å; R35-I88 VanDerWaalsContact NH2-O 3.17Å; R35-D264 PolarHBondContact N-OD1 2.92Å; R35-D264 VanDerWaalsContact N-OD1 3.09Å; R35-P265 WeakPolarHBondContact O-CD 3.28Å
36M92Very high91.1Very high25 Ų2528.4 Ų28.412%0.12314%0.142CC..  trans-70.6124.9174.3-69-63.9-89.700108.6Q90 K94 A98 R198 I262 Q263 D264M36-Q90 PolarHBondContact O-NE2 2.9Å; M36-K94 HydrophobicContact CB-CB 4.08Å; M36-K94 WeakPolarHBondContact CB-O 3.48Å; M36-K94 HydrophobicContact CG-CB 3.67Å; M36-A98 VanDerWaalsContact C-CB 3.45Å; M36-A98 HydrophobicContact CB-CB 3.9Å; M36-A98 WeakPolarHBondContact O-CA 3.45Å; M36-A98 WeakPolarHBondContact O-CB 3.32Å; M36-R198 HydrophobicContact CE-CB 4.4Å; M36-I262 HydrophobicContact CB-CG2 3.72Å; M36-I262 HydrophobicContact CE-CG2 3.7Å; M36-I262 HydrophobicContact CG-CG2 4.45Å; M36-I262 HydrophobicContact SD-CG2 4.28Å; M36-Q263 CarbonylContact C-O 3.55Å; M36-Q263 WeakPolarHBondContact CA-O 3.42Å; M36-D264 HydrophobicContact SD-CB 3.92Å
37T93.6Very high91.2Very high57 Ų5731.2 Ų31.235%0.3516%0.157SC..EExtended strand (participates in β ladder)trans-132.9137.1-173.7-54.80000109.3R35 V39 I262 Q263R35-T37 PolarHBondContact O-N 3.2Å; R35-T37 PolarHBondContact O-OG1 3.11Å; T37-V39 PolarHBondContact O-N 3.22Å; T37-I262 WeakPolarHBondContact O-CA 3.44Å; T37-Q263 PolarHBondContact N-O 2.82Å; T37-Q263 PolarHBondContact O-N 3.1Å
38V95.8Very high91.4Very high6 Ų632.6 Ų32.64%0.03616%0.162CC..EExtended strand (participates in β ladder)trans-70.1114.9169.8174.50000108.2R40 L99 F102 V260 I262V38-R40 WeakPolarHBondContact CG1-O 3.47Å; V38-L99 HydrophobicContact CG2-CD2 4.24Å; V38-F102 HydrophobicContact CB-CB 3.89Å; V38-F102 HydrophobicContact CB-CD2 3.78Å; V38-F102 HydrophobicContact CB-CE2 4.43Å; V38-F102 HydrophobicContact CB-CG 3.83Å; V38-F102 HydrophobicContact CG1-CD1 4.26Å; V38-F102 HydrophobicContact CG1-CD2 3.68Å; V38-F102 HydrophobicContact CG1-CE1 4.37Å; V38-F102 HydrophobicContact CG1-CE2 3.83Å; V38-F102 HydrophobicContact CG1-CG 3.92Å; V38-F102 HydrophobicContact CG1-CZ 4.18Å; V38-F102 HydrophobicContact CG2-CB 3.72Å; V38-F102 HydrophobicContact CG2-CD1 4.36Å; V38-F102 HydrophobicContact CG2-CD2 4.42Å; V38-F102 HydrophobicContact CG2-CG 3.94Å; V38-V260 HydrophobicContact CG1-CB 3.89Å; V38-V260 HydrophobicContact CG1-CG1 3.98Å; V38-V260 HydrophobicContact CG2-CB 4.13Å; V38-V260 HydrophobicContact CG2-CG1 4.43Å; V38-V260 HydrophobicContact CG2-CG2 4.27Å; V38-I262 HydrophobicContact CG2-CD1 4.48Å; V38-I262 HydrophobicContact CG2-CG1 3.84Å
39V94.1Very high91.7Very high33 Ų3340.7 Ų40.720%0.219%0.189CC..EExtended strand (participates in β ladder)trans-109.9-19.1-179.8-66.30000112.7T37 R49 L197 G261 Q263T37-V39 PolarHBondContact O-N 3.22Å; V39-R49 CarbonylContact O-C 3.57Å; V39-L197 HydrophobicContact CG2-CD1 4.22Å; V39-L197 HydrophobicContact CG2-CD2 3.68Å; V39-G261 WeakPolarHBondContact CG2-O 3.39Å; V39-G261 PolarHBondContact N-O 3.38Å; V39-Q263 HydrophobicContact CB-CG 4.21Å; V39-Q263 HydrophobicContact CG1-CG 3.6Å; V39-Q263 HydrophobicContact CG2-CB 4.32Å; V39-Q263 HydrophobicContact CG2-CG 3.6Å
40R95.5Very high92.2Very high64 Ų6448.3 Ų48.324%0.24222%0.224CC..EExtended strand (participates in β ladder)trans-136.1147171.4-60.4-169.7-177.4165.16.2109.8V38 Y48 M192 D195 L197 V260 G261V38-R40 WeakPolarHBondContact CG1-O 3.47Å; R40-Y48 WeakPolarHBondContact CA-O 3.39Å; R40-M192 HydrophobicContact CB-CE 3.63Å; R40-M192 HydrophobicContact CB-SD 4.39Å; R40-D195 IonicContact CZ-OD2 3.81Å; R40-D195 IonicContact NH1-OD2 3.42Å; R40-D195 PolarHBondContact NH1-OD2 3.42Å; R40-D195 IonicContact NH2-OD2 3.72Å; R40-D195 PolarHBondContact NH2-OD2 3.15Å; R40-L197 HydrophobicContact CB-CD1 4.32Å; R40-L197 HydrophobicContact CG-CD1 3.94Å; R40-V260 CarbonylContact O-C 3.41Å; R40-V260 WeakPolarHBondContact O-CA 3.32Å; R40-G261 PolarHBondContact N-O 2.83Å; R40-G261 PolarHBondContact O-N 3.08Å
41S96.3Very high92.4Very high1 Ų150.9 Ų50.91%0.00724%0.24CC..EExtended strand (participates in β ladder)trans-143.2135.217558.80000110.9Y48 L259S41-Y48 PolarHBondContact N-O 2.94Å; S41-Y48 WeakPolarHBondContact O-CB 3.36Å; S41-Y48 PolarHBondContact O-N 3.23Å; S41-L259 CarbonylContact C-O 3.59Å; S41-L259 VanDerWaalsContact CA-O 3.29Å; S41-L259 WeakPolarHBondContact CA-O 3.35Å
42Y96.3Very high92.5Very high28 Ų2851 Ų5111%0.1124%0.241CC..EExtended strand (participates in β ladder)trans-106.3110171-176.1-103.6000108.5R45 T46 L47 I166 I184 I188 A258 L259Y42-R45 VanDerWaalsContact CE2-C 3.47Å; Y42-R45 WeakPolarHBondContact CE2-O 3.49Å; Y42-R45 VanDerWaalsContact CZ-CA 3.48Å; Y42-R45 VanDerWaalsContact OH-CA 3.31Å; Y42-R45 WeakPolarHBondContact OH-CA 3.46Å; Y42-R45 PolarHBondContact OH-O 3.12Å; Y42-T46 CarbonylContact C-O 3.57Å; Y42-T46 VanDerWaalsContact CA-O 3.31Å; Y42-T46 WeakPolarHBondContact CA-O 3.27Å; Y42-L47 HydrophobicContact CD2-CB 4.03Å; Y42-I166 HydrophobicContact CE1-CD1 4.38Å; Y42-I184 HydrophobicContact CE1-CD1 3.86Å; Y42-I184 HydrophobicContact CE1-CG1 4.37Å; Y42-I188 HydrophobicContact CD2-CD1 3.9Å; Y42-I188 HydrophobicContact CD2-CG1 4.09Å; Y42-I188 HydrophobicContact CD2-CG2 4.33Å; Y42-I188 HydrophobicContact CE2-CD1 3.94Å; Y42-I188 HydrophobicContact CE2-CG1 4.1Å; Y42-I188 HydrophobicContact CG-CG1 4.48Å; Y42-I188 HydrophobicContact CG-CG2 4.18Å; Y42-A258 VanDerWaalsContact O-CA 3.24Å; Y42-A258 WeakPolarHBondContact O-CA 3.35Å; Y42-L259 HydrophobicContact CD1-CD1 4.25Å; Y42-L259 PolarHBondContact N-O 2.67Å; Y42-L259 PolarHBondContact O-N 3.3Å
43I95.4Very high92.5Very high3 Ų357.8 Ų57.82%0.01527%0.271CS..EExtended strand (participates in β ladder)trans-136.6130.2-170.8-55.1169.9000108.2R45 T46 Y48 P52 L57 I61 L65 F102 A258I43-R45 VanDerWaalsContact C-N 3.31Å; I43-R45 PolarHBondContact O-N 3.14Å; I43-T46 PolarHBondContact N-O 3.34Å; I43-T46 PolarHBondContact O-N 2.86Å; I43-Y48 HydrophobicContact CB-CD2 4.41Å; I43-Y48 HydrophobicContact CB-CE2 4.14Å; I43-P52 HydrophobicContact CD1-CG 4.26Å; I43-L57 HydrophobicContact CB-CD2 4.35Å; I43-L57 HydrophobicContact CD1-CD2 4.18Å; I43-L57 HydrophobicContact CG2-CD2 3.87Å; I43-I61 HydrophobicContact CG2-CG2 3.4Å; I43-I61 VanDerWaalsContact CG2-CG2 3.4Å; I43-L65 HydrophobicContact CD1-CD2 3.82Å; I43-F102 HydrophobicContact CD1-CE1 4.37Å; I43-F102 HydrophobicContact CD1-CZ 4.12Å; I43-A258 HydrophobicContact CG1-CB 3.87Å
44G91.3Very high92.7Very high6 Ų659.9 Ų59.96%0.06227%0.274CS..THydrogen-bonded Turntrans56.742.3177.600000113.4T46 P169G44-T46 PolarHBondContact O-N 3.2Å; G44-P169 WeakPolarHBondContact O-CA 3.48Å
45R90Very high92.9Very high98 Ų9864.5 Ų64.537%0.3729%0.294SS..THydrogen-bonded Turntrans61.310.6-172.3-59.4-169.9178.5-128.52.3116.9Y42 I43 P169 Q174Y42-R45 VanDerWaalsContact CE2-C 3.47Å; Y42-R45 WeakPolarHBondContact CE2-O 3.49Å; Y42-R45 VanDerWaalsContact CZ-CA 3.48Å; Y42-R45 VanDerWaalsContact OH-CA 3.31Å; Y42-R45 WeakPolarHBondContact OH-CA 3.46Å; Y42-R45 PolarHBondContact OH-O 3.12Å; I43-R45 VanDerWaalsContact C-N 3.31Å; I43-R45 PolarHBondContact O-N 3.14Å; R45-P169 HydrophobicContact CB-CG 4.42Å; R45-Q174 VanDerWaalsContact CZ-OE1 3.27Å
46T93.3Very high93Very high62 Ų6266.9 Ų66.938%0.3831%0.308SS..EExtended strand (participates in β ladder)trans-110.7132179.3-57.50000111Y42 I43 G44 Y48Y42-T46 CarbonylContact C-O 3.57Å; Y42-T46 VanDerWaalsContact CA-O 3.31Å; Y42-T46 WeakPolarHBondContact CA-O 3.27Å; I43-T46 PolarHBondContact N-O 3.34Å; I43-T46 PolarHBondContact O-N 2.86Å; G44-T46 PolarHBondContact O-N 3.2Å; T46-Y48 HydrophobicContact CG2-CD2 4.31Å; T46-Y48 HydrophobicContact CG2-CE1 4.13Å; T46-Y48 HydrophobicContact CG2-CE2 3.79Å; T46-Y48 WeakPolarHBondContact O-CD2 3.21Å
47L94.5Very high92.9Very high72 Ų7266.3 Ų66.338%0.37731%0.305SS..EExtended strand (participates in β ladder)trans-91.2114.2175.2178.462.7000110.5Y42 I188 M192Y42-L47 HydrophobicContact CD2-CB 4.03Å; L47-I188 HydrophobicContact CB-CD1 4.36Å; L47-I188 HydrophobicContact CD1-CG2 4.32Å; L47-I188 HydrophobicContact CD2-CD1 4.13Å; L47-M192 HydrophobicContact CD1-CE 3.34Å
48Y94.8Very high92.8Very high44 Ų4465.4 Ų65.417%0.17330%0.3CS..EExtended strand (participates in β ladder)trans-97.4129.7174-59.7-87.8000110.4R40 S41 I43 T46 E50 P52 L57R40-Y48 WeakPolarHBondContact CA-O 3.39Å; S41-Y48 PolarHBondContact N-O 2.94Å; S41-Y48 WeakPolarHBondContact O-CB 3.36Å; S41-Y48 PolarHBondContact O-N 3.23Å; I43-Y48 HydrophobicContact CB-CD2 4.41Å; I43-Y48 HydrophobicContact CB-CE2 4.14Å; T46-Y48 HydrophobicContact CG2-CD2 4.31Å; T46-Y48 HydrophobicContact CG2-CE1 4.13Å; T46-Y48 HydrophobicContact CG2-CE2 3.79Å; T46-Y48 WeakPolarHBondContact O-CD2 3.21Å; Y48-E50 WeakPolarHBondContact CB-O 3.31Å; Y48-P52 HydrophobicContact CD1-CB 3.7Å; Y48-P52 HydrophobicContact CD1-CG 4.36Å; Y48-P52 HydrophobicContact CD2-CB 4.47Å; Y48-P52 HydrophobicContact CD2-CG 4.38Å; Y48-P52 HydrophobicContact CE1-CB 3.75Å; Y48-P52 HydrophobicContact CG-CB 4.07Å; Y48-P52 HydrophobicContact CG-CG 4.22Å; Y48-L57 HydrophobicContact CE2-CD2 4.47Å
49R92.3Very high92.6Very high204 Ų20468.9 Ų68.977%0.7733%0.329SS*.SBendtrans-91.2-9.9176.4-66.1-176.7179.7177.4-0.2113.6V39V39-R49 CarbonylContact O-C 3.57Å
50E91.3Very high92.4Very high160 Ų16070.8 Ų70.875%0.74834%0.335SS*.SBendtrans-136.4170.5176.4-66.5178.8-174.500107.7Y48 P52Y48-E50 WeakPolarHBondContact CB-O 3.31Å; E50-P52 WeakPolarHBondContact O-CD 3.41Å
51T91.7Very high92.3Very high54 Ų5467.8 Ų67.833%0.33132%0.324SS..PPolyproline II helixtrans-63.5121.7175.2-64.10000109.2F102 S105 L106T51-F102 HydrophobicContact CG2-CD2 4.29Å; T51-F102 HydrophobicContact CG2-CE2 3.96Å; T51-S105 VanDerWaalsContact CG2-OG 3.25Å; T51-S105 WeakPolarHBondContact CG2-OG 3.34Å; T51-S105 PolarHBondContact OG1-OG 3.32Å; T51-L106 HydrophobicContact CG2-CD2 3.95Å; T51-L106 HydrophobicContact CG2-CG 4.34Å
52P93.3Very high92.2Very high4 Ų467.7 Ų67.73%0.02632%0.323CS..PPolyproline II helixtrans-66.3151.317626.4-31.5000110.7I43 Y48 E50 L57 L106I43-P52 HydrophobicContact CD1-CG 4.26Å; Y48-P52 HydrophobicContact CD1-CB 3.7Å; Y48-P52 HydrophobicContact CD1-CG 4.36Å; Y48-P52 HydrophobicContact CD2-CB 4.47Å; Y48-P52 HydrophobicContact CD2-CG 4.38Å; Y48-P52 HydrophobicContact CE1-CB 3.75Å; Y48-P52 HydrophobicContact CG-CB 4.07Å; Y48-P52 HydrophobicContact CG-CG 4.22Å; E50-P52 WeakPolarHBondContact O-CD 3.41Å; P52-L57 HydrophobicContact CB-CD2 4.26Å; P52-L57 HydrophobicContact CB-CG 4.44Å; P52-L57 HydrophobicContact CG-CD1 4.22Å; P52-L57 HydrophobicContact CG-CD2 4.04Å; P52-L57 HydrophobicContact CG-CG 4.29Å; P52-L106 HydrophobicContact CG-CD2 4.02Å; P52-L106 VanDerWaalsContact O-CD2 3.22Å; P52-L106 WeakPolarHBondContact O-CD2 3.26Å
53K92.2Very high92Very high142 Ų14270.7 Ų70.762%0.61734%0.338SS*.PPolyproline II helixtrans-71.3150.9170.9-62.7-174.9176.2-177.70110.1E55 Q56K53-E55 VanDerWaalsContact CB-OE2 3.3Å; K53-E55 WeakPolarHBondContact CB-OE2 3.24Å; K53-E55 PolarHBondContact O-N 2.87Å; K53-Q56 HydrophobicContact CB-CG 4.24Å; K53-Q56 VanDerWaalsContact N-OE1 3.14Å; K53-Q56 WeakPolarHBondContact O-CB 3.43Å; K53-Q56 PolarHBondContact O-N 2.97Å
54W90.9Very high92Very high81 Ų8170.8 Ų70.831%0.30734%0.339SS..G310 helixtrans-56.4-36.5-179-175.2-109.5000112.4Q56 L57 T66 L106 Q108W54-Q56 PolarHBondContact O-N 3.45Å; W54-L57 PolarHBondContact O-N 3.01Å; W54-T66 HydrophobicContact CH2-CG2 4.15Å; W54-T66 HydrophobicContact CZ3-CG2 3.84Å; W54-L106 HydrophobicContact CE3-CB 4.16Å; W54-Q108 HydrophobicContact CD2-CG 4.2Å; W54-Q108 VanDerWaalsContact CE2-NE2 3.35Å; W54-Q108 HydrophobicContact CE3-CG 3.74Å; W54-Q108 HydrophobicContact CH2-CG 3.76Å; W54-Q108 HydrophobicContact CZ2-CG 4.21Å; W54-Q108 HydrophobicContact CZ3-CG 3.52Å
55E89.9Confident92.2Very high153 Ų15370.6 Ų70.672%0.71534%0.336SS*.G310 helixtrans-71-18.3-178.6-51.774.9-155.500113.3K53 L57K53-E55 VanDerWaalsContact CB-OE2 3.3Å; K53-E55 WeakPolarHBondContact CB-OE2 3.24Å; K53-E55 PolarHBondContact O-N 2.87Å; E55-L57 VanDerWaalsContact C-N 3.32Å
56Q88.9Confident92.4Very high107 Ų10766.1 Ų66.150%0.532%0.32SS..G310 helixtrans-81-16.5176.8-65.2174.7-22.100112.2K53 W54K53-Q56 HydrophobicContact CB-CG 4.24Å; K53-Q56 VanDerWaalsContact N-OE1 3.14Å; K53-Q56 WeakPolarHBondContact O-CB 3.43Å; K53-Q56 PolarHBondContact O-N 2.97Å; W54-Q56 PolarHBondContact O-N 3.45Å
57L90.6Very high92.5Very high13 Ų1364.2 Ų64.27%0.06831%0.307CS..SBendtrans-93.6132-177.5-64.2-178.2000110.6I43 Y48 P52 W54 E55 A59 L106I43-L57 HydrophobicContact CB-CD2 4.35Å; I43-L57 HydrophobicContact CD1-CD2 4.18Å; I43-L57 HydrophobicContact CG2-CD2 3.87Å; Y48-L57 HydrophobicContact CE2-CD2 4.47Å; P52-L57 HydrophobicContact CB-CD2 4.26Å; P52-L57 HydrophobicContact CB-CG 4.44Å; P52-L57 HydrophobicContact CG-CD1 4.22Å; P52-L57 HydrophobicContact CG-CD2 4.04Å; P52-L57 HydrophobicContact CG-CG 4.29Å; W54-L57 PolarHBondContact O-N 3.01Å; E55-L57 VanDerWaalsContact C-N 3.32Å; L57-A59 PolarHBondContact O-N 3.35Å; L57-L106 HydrophobicContact CD1-CD1 4.35Å; L57-L106 HydrophobicContact CD1-CD2 3.85Å
58P90.9Very high92.6Very high38 Ų3860.8 Ų60.825%0.24729%0.289CS..  trans-57131.9168.7-22.532.2000110.1K60 I61 G62 P169P58-K60 PolarHBondContact O-N 3.39Å; P58-K60 VanDerWaalsContact O-N 3.1Å; P58-I61 HydrophobicContact CB-CD1 4.09Å; P58-I61 HydrophobicContact CB-CG1 4.09Å; P58-I61 HydrophobicContact CG-CD1 3.76Å; P58-I61 HydrophobicContact CG-CG1 4.3Å; P58-I61 PolarHBondContact O-N 3.49Å; P58-G62 PolarHBondContact O-N 3.01Å; P58-P169 WeakPolarHBondContact CG-O 3.34Å
59A90.6Very high92.7Very high79 Ų7958.8 Ų58.865%0.65328%0.281SS*.Hα-helixtrans-52.4-40-172.600000113.3L57 H63L57-A59 PolarHBondContact O-N 3.35Å; A59-H63 VanDerWaalsContact O-CB 3.27Å; A59-H63 WeakPolarHBondContact O-CB 3.41Å; A59-H63 PolarHBondContact O-N 3.41Å
60K90.7Very high92.9Very high74 Ų7449 Ų4932%0.32224%0.244SC..Hα-helixtrans-61.7-43.4176.5-174.8170.6177.81790112P58 L64 G171 E232P58-K60 PolarHBondContact O-N 3.39Å; P58-K60 VanDerWaalsContact O-N 3.1Å; K60-L64 HydrophobicContact CG-CD1 4.12Å; K60-L64 WeakPolarHBondContact O-CB 3.37Å; K60-L64 WeakPolarHBondContact O-CD1 3.41Å; K60-L64 VanDerWaalsContact O-CG 3.26Å; K60-L64 WeakPolarHBondContact O-CG 3.23Å; K60-L64 PolarHBondContact O-N 3.18Å; K60-L64 VanDerWaalsContact O-N 3.11Å; K60-G171 WeakPolarHBondContact CD-O 3.41Å; K60-E232 IonicContact NZ-OE1 3.86Å; K60-E232 PolarHBondContact NZ-OE1 3.32Å; K60-E232 IonicContact NZ-OE2 3.05Å; K60-E232 PolarHBondContact NZ-OE2 3.12Å
61I93.3Very high93Very high0 Ų041.5 Ų41.50%021%0.209CC..Hα-helixtrans-70.7-47.4179.5-54.1179.9000110.3I43 P58 H63 L64 L65 L167 G168 I257I43-I61 HydrophobicContact CG2-CG2 3.4Å; I43-I61 VanDerWaalsContact CG2-CG2 3.4Å; P58-I61 HydrophobicContact CB-CD1 4.09Å; P58-I61 HydrophobicContact CB-CG1 4.09Å; P58-I61 HydrophobicContact CG-CD1 3.76Å; P58-I61 HydrophobicContact CG-CG1 4.3Å; P58-I61 PolarHBondContact O-N 3.49Å; I61-H63 VanDerWaalsContact C-N 3.33Å; I61-H63 PolarHBondContact O-N 3.48Å; I61-L64 PolarHBondContact O-N 3.25Å; I61-L65 WeakPolarHBondContact O-CB 3.3Å; I61-L65 PolarHBondContact O-N 3.05Å; I61-L167 HydrophobicContact CD1-CB 4.27Å; I61-L167 HydrophobicContact CG1-CB 4.29Å; I61-L167 HydrophobicContact CG1-CD1 4.08Å; I61-L167 HydrophobicContact CG2-CD1 4.31Å; I61-G168 VanDerWaalsContact CD1-O 3.31Å; I61-G168 WeakPolarHBondContact CD1-O 3.38Å; I61-I257 HydrophobicContact CG2-CG2 4.31Å
62G93.2Very high93.2Very high0 Ų039 Ų390%019%0.193CC..Hα-helixtrans-55.4-47.8178.500000111.8P58 L65 T66P58-G62 PolarHBondContact O-N 3.01Å; G62-L65 PolarHBondContact O-N 2.85Å; G62-T66 WeakPolarHBondContact O-CG2 3.3Å; G62-T66 PolarHBondContact O-N 3.31Å; G62-T66 PolarHBondContact O-OG1 2.92Å; G62-T66 VanDerWaalsContact O-OG1 3.06Å
63H93.3Very high93.3Very high90 Ų9038.8 Ų38.842%0.41719%0.192SC..Hα-helixtrans-65-43.5178-176.6-88.7000113.2A59 I61 L65 T66 Q67A59-H63 VanDerWaalsContact O-CB 3.27Å; A59-H63 WeakPolarHBondContact O-CB 3.41Å; A59-H63 PolarHBondContact O-N 3.41Å; I61-H63 VanDerWaalsContact C-N 3.33Å; I61-H63 PolarHBondContact O-N 3.48Å; H63-L65 VanDerWaalsContact C-N 3.35Å; H63-T66 PolarHBondContact O-OG1 3.43Å; H63-Q67 PolarHBondContact CE1-NE2 2.89Å; H63-Q67 PolarHBondContact CE1-OE1 2.94Å; H63-Q67 PolarHBondContact ND1-OE1 3.43Å; H63-Q67 PolarHBondContact NE2-NE2 2.95Å; H63-Q67 WeakPolarHBondContact O-CB 3.3Å; H63-Q67 VanDerWaalsContact O-CG 3.28Å; H63-Q67 WeakPolarHBondContact O-CG 3.37Å; H63-Q67 PolarHBondContact O-N 3.49Å
64L94.2Very high93.3Very high6 Ų634.5 Ų34.53%0.03118%0.18CC..Hα-helixtrans-65-39.9176.7-74.9169.5000112.1K60 I61 C68 Y151 L167 Y204 I257K60-L64 HydrophobicContact CG-CD1 4.12Å; K60-L64 WeakPolarHBondContact O-CB 3.37Å; K60-L64 WeakPolarHBondContact O-CD1 3.41Å; K60-L64 VanDerWaalsContact O-CG 3.26Å; K60-L64 WeakPolarHBondContact O-CG 3.23Å; K60-L64 PolarHBondContact O-N 3.18Å; K60-L64 VanDerWaalsContact O-N 3.11Å; I61-L64 PolarHBondContact O-N 3.25Å; L64-C68 WeakPolarHBondContact O-CB 3.49Å; L64-C68 PolarHBondContact O-N 3.48Å; L64-Y151 HydrophobicContact CD2-CE1 4.49Å; L64-L167 HydrophobicContact CD1-CD1 3.87Å; L64-Y204 HydrophobicContact CD1-CD1 4.31Å; L64-Y204 HydrophobicContact CD1-CE1 3.66Å; L64-Y204 HydrophobicContact CD1-CE2 4.25Å; L64-Y204 HydrophobicContact CD2-CD1 4.48Å; L64-Y204 HydrophobicContact CD2-CD2 4.09Å; L64-Y204 HydrophobicContact CD2-CE1 4.46Å; L64-Y204 HydrophobicContact CD2-CE2 4.08Å; L64-Y204 HydrophobicContact CD2-CG 4.29Å; L64-I257 HydrophobicContact CB-CD1 4.2Å; L64-I257 HydrophobicContact CB-CG2 4.46Å
65L95.4Very high93.4Very high1 Ų132.3 Ų32.31%0.00517%0.172CC..Hα-helixtrans-63-50.8178.6176.164.9000111.4I43 I61 G62 H63 C68 A69 F102 L106 L202 I257 A258I43-L65 HydrophobicContact CD1-CD2 3.82Å; I61-L65 WeakPolarHBondContact O-CB 3.3Å; I61-L65 PolarHBondContact O-N 3.05Å; G62-L65 PolarHBondContact O-N 2.85Å; H63-L65 VanDerWaalsContact C-N 3.35Å; L65-C68 PolarHBondContact O-N 2.96Å; L65-A69 WeakPolarHBondContact O-CB 3.38Å; L65-A69 PolarHBondContact O-N 2.7Å; L65-F102 HydrophobicContact CD2-CE1 3.97Å; L65-L106 HydrophobicContact CD2-CD1 4.03Å; L65-L202 HydrophobicContact CD1-CD1 3.44Å; L65-L202 VanDerWaalsContact CD1-CD1 3.44Å; L65-I257 HydrophobicContact CB-CG2 3.93Å; L65-I257 HydrophobicContact CD1-CG2 4.24Å; L65-A258 HydrophobicContact CD1-CB 3.77Å
66T95.9Very high93.5Very high4 Ų428.3 Ų28.33%0.02517%0.165CC..Hα-helixtrans-67.2-41.3-178.854.90000111.8W54 G62 H63 A69 S70 V103 L106 Q108W54-T66 HydrophobicContact CH2-CG2 4.15Å; W54-T66 HydrophobicContact CZ3-CG2 3.84Å; G62-T66 WeakPolarHBondContact O-CG2 3.3Å; G62-T66 PolarHBondContact O-N 3.31Å; G62-T66 PolarHBondContact O-OG1 2.92Å; G62-T66 VanDerWaalsContact O-OG1 3.06Å; H63-T66 PolarHBondContact O-OG1 3.43Å; T66-A69 PolarHBondContact O-N 2.82Å; T66-S70 WeakPolarHBondContact O-CB 3.44Å; T66-S70 PolarHBondContact O-N 2.91Å; T66-S70 PolarHBondContact O-OG 3.18Å; T66-V103 HydrophobicContact CG2-CG1 4.01Å; T66-V103 HydrophobicContact CG2-CG2 4.22Å; T66-L106 HydrophobicContact CG2-CD1 4.46Å; T66-Q108 HydrophobicContact CG2-CB 4.15Å; T66-Q108 HydrophobicContact CG2-CG 4.09Å
67Q95.1Very high93.6Very high23 Ų2323.3 Ų23.311%0.10714%0.142CC..Hα-helixtrans-62-46.8173.2-74.4-173.4-36.800111.9H63 A69 S70 I71 L113 Y151H63-Q67 PolarHBondContact CE1-NE2 2.89Å; H63-Q67 PolarHBondContact CE1-OE1 2.94Å; H63-Q67 PolarHBondContact ND1-OE1 3.43Å; H63-Q67 PolarHBondContact NE2-NE2 2.95Å; H63-Q67 WeakPolarHBondContact O-CB 3.3Å; H63-Q67 VanDerWaalsContact O-CG 3.28Å; H63-Q67 WeakPolarHBondContact O-CG 3.37Å; H63-Q67 PolarHBondContact O-N 3.49Å; Q67-A69 PolarHBondContact O-N 3.34Å; Q67-S70 PolarHBondContact O-N 2.82Å; Q67-I71 HydrophobicContact CB-CD1 4.2Å; Q67-I71 HydrophobicContact CG-CD1 4.47Å; Q67-I71 VanDerWaalsContact O-CB 3.3Å; Q67-I71 WeakPolarHBondContact O-CB 3.26Å; Q67-I71 WeakPolarHBondContact O-CG1 3.33Å; Q67-I71 PolarHBondContact O-N 2.94Å; Q67-L113 HydrophobicContact CG-CD2 4.14Å; Q67-Y151 HydrophobicContact CB-CE1 4.18Å; Q67-Y151 HydrophobicContact CB-CE2 4.3Å; Q67-Y151 VanDerWaalsContact CB-OH 3.26Å; Q67-Y151 WeakPolarHBondContact CB-OH 3.24Å; Q67-Y151 PolarHBondContact OE1-OH 3.43Å
68C96.5Very high93.7Very high0 Ų025.7 Ų25.70%015%0.152CC..Hα-helixtrans-60.4-46.3178.9-174.20000111.5L64 L65 N72 Y151 I257L64-C68 WeakPolarHBondContact O-CB 3.49Å; L64-C68 PolarHBondContact O-N 3.48Å; L65-C68 PolarHBondContact O-N 2.96Å; C68-N72 WeakPolarHBondContact O-CB 3.37Å; C68-N72 PolarHBondContact O-N 3.42Å; C68-N72 VanDerWaalsContact O-N 3.16Å; C68-Y151 HydrophobicContact CB-CD1 3.44Å; C68-Y151 VanDerWaalsContact CB-CD1 3.44Å; C68-Y151 HydrophobicContact CB-CE1 3.92Å; C68-Y151 HydrophobicContact CB-CG 4.16Å; C68-I257 HydrophobicContact CB-CD1 3.79Å
69A96.3Very high93.6Very high1 Ų124 Ų241%0.00814%0.142CC..Hα-helixtrans-65.4-38.3178.700000112.6L65 T66 Q67 S73 L99 V103L65-A69 WeakPolarHBondContact O-CB 3.38Å; L65-A69 PolarHBondContact O-N 2.7Å; T66-A69 PolarHBondContact O-N 2.82Å; Q67-A69 PolarHBondContact O-N 3.34Å; A69-S73 VanDerWaalsContact O-CB 3.29Å; A69-S73 WeakPolarHBondContact O-CB 3.46Å; A69-S73 PolarHBondContact O-OG 2.85Å; A69-L99 HydrophobicContact CB-CB 4.07Å; A69-V103 HydrophobicContact CB-CG2 3.63Å
70S96Very high93.3Very high0 Ų025.1 Ų25.10%013%0.133CC..Hα-helixtrans-80.1-46.7-174.3-53.80000113.3T66 Q67 Y110 L113 R114T66-S70 WeakPolarHBondContact O-CB 3.44Å; T66-S70 PolarHBondContact O-N 2.91Å; T66-S70 PolarHBondContact O-OG 3.18Å; Q67-S70 PolarHBondContact O-N 2.82Å; S70-Y110 WeakPolarHBondContact OG-CA 3.42Å; S70-Y110 WeakPolarHBondContact OG-CB 3.37Å; S70-L113 WeakPolarHBondContact OG-CD1 3.48Å; S70-R114 PolarHBondContact O-NE 2.93Å; S70-R114 PolarHBondContact O-NH2 3.32Å
71I95.1Very high92.4Very high2 Ų228.6 Ų28.61%0.0115%0.152CC..Hα-helixtrans-84.1-41.9-173.7-59.7172.6000110.8Q67 S73 T117 L122 T137 I139 Y151Q67-I71 HydrophobicContact CB-CD1 4.2Å; Q67-I71 HydrophobicContact CG-CD1 4.47Å; Q67-I71 VanDerWaalsContact O-CB 3.3Å; Q67-I71 WeakPolarHBondContact O-CB 3.26Å; Q67-I71 WeakPolarHBondContact O-CG1 3.33Å; Q67-I71 PolarHBondContact O-N 2.94Å; I71-S73 PolarHBondContact O-N 3.48Å; I71-S73 VanDerWaalsContact O-N 3.09Å; I71-T117 HydrophobicContact CD1-CG2 4.23Å; I71-T117 HydrophobicContact CG2-CG2 4.38Å; I71-L122 HydrophobicContact CG2-CD2 3.9Å; I71-T137 HydrophobicContact CG2-CG2 4.06Å; I71-I139 HydrophobicContact CD1-CD1 4.1Å; I71-I139 HydrophobicContact CG2-CG2 3.83Å; I71-Y151 HydrophobicContact CD1-CE2 4.16Å
72N95.5Very high90.8Very high0 Ų029.2 Ų29.20%016%0.159CC..THydrogen-bonded Turntrans-83.325.7178.5-167.240.1000112.9C68 M135 S136 T137 Y151 S152 K153C68-N72 WeakPolarHBondContact O-CB 3.37Å; C68-N72 PolarHBondContact O-N 3.42Å; C68-N72 VanDerWaalsContact O-N 3.16Å; N72-M135 PolarHBondContact ND2-O 3.25Å; N72-S136 VanDerWaalsContact OD1-C 3.26Å; N72-S136 WeakPolarHBondContact OD1-CA 3.43Å; N72-T137 WeakPolarHBondContact OD1-CB 3.39Å; N72-T137 PolarHBondContact OD1-N 2.89Å; N72-T137 PolarHBondContact OD1-OG1 2.99Å; N72-Y151 PolarHBondContact ND2-O 3.01Å; N72-Y151 PolarHBondContact OD1-O 3.45Å; N72-S152 VanDerWaalsContact ND2-CA 3.31Å; N72-S152 WeakPolarHBondContact ND2-CA 3.42Å; N72-K153 PolarHBondContact ND2-N 3.49Å; N72-K153 WeakPolarHBondContact O-CD 3.34Å; N72-K153 WeakPolarHBondContact O-CE 3.19Å; N72-K153 PolarHBondContact O-NZ 3.23Å
73S95Very high88.8Confident1 Ų139.7 Ų39.71%0.00721%0.205CC..SBendtrans-118.9144.4171.7-68.30000109.3A69 I71 Y75 R114 K153A69-S73 VanDerWaalsContact O-CB 3.29Å; A69-S73 WeakPolarHBondContact O-CB 3.46Å; A69-S73 PolarHBondContact O-OG 2.85Å; I71-S73 PolarHBondContact O-N 3.48Å; I71-S73 VanDerWaalsContact O-N 3.09Å; S73-Y75 WeakPolarHBondContact O-CD2 3.18Å; S73-Y75 PolarHBondContact O-N 3.43Å; S73-R114 PolarHBondContact O-NH2 2.87Å; S73-K153 PolarHBondContact OG-NZ 2.91Å
74S92.2Very high86.8Confident51 Ų5139 Ų3936%0.35722%0.223SC..  trans-51.3132.5177.4-179.90000109.5A76 S77 E96 R114S74-A76 PolarHBondContact O-N 3.31Å; S74-A76 PolarHBondContact OG-N 2.9Å; S74-S77 WeakPolarHBondContact O-CB 3.28Å; S74-S77 PolarHBondContact O-N 3.24Å; S74-E96 VanDerWaalsContact CB-OE2 3.22Å; S74-E96 WeakPolarHBondContact CB-OE2 3.46Å; S74-E96 PolarHBondContact N-OE1 3.03Å; S74-E96 PolarHBondContact N-OE2 3.04Å; S74-R114 PolarHBondContact O-NH2 3.27Å
75Y92.4Very high84.6Confident35 Ų3541.9 Ų41.914%0.13725%0.253CS..THydrogen-bonded Turntrans-70.2-12178.7-81.4-129.2000110.9S73 H78 R114 T117 E119 L122S73-Y75 WeakPolarHBondContact O-CD2 3.18Å; S73-Y75 PolarHBondContact O-N 3.43Å; Y75-H78 PolarHBondContact O-CE1 3.48Å; Y75-H78 PolarHBondContact O-NE2 3.36Å; Y75-R114 HydrophobicContact CD1-CB 4.36Å; Y75-R114 HydrophobicContact CD1-CG 4.23Å; Y75-R114 HydrophobicContact CE1-CB 3.75Å; Y75-R114 HydrophobicContact CE1-CG 3.69Å; Y75-R114 HydrophobicContact CE2-CG 4.37Å; Y75-T117 WeakPolarHBondContact CE1-O 3.07Å; Y75-T117 PolarHBondContact OH-O 3.17Å; Y75-E119 HydrophobicContact CD1-CB 4.23Å; Y75-L122 HydrophobicContact CE2-CD1 4.25Å
76A91.6Very high82.7Confident69 Ų6950 Ų5057%0.5729%0.291SS*.THydrogen-bonded Turntrans-74.6-23.7167.400000113.1S74 H78S74-A76 PolarHBondContact O-N 3.31Å; S74-A76 PolarHBondContact OG-N 2.9Å; A76-H78 PolarHBondContact O-ND1 2.67Å
77S93Very high81Confident2 Ų254 Ų541%0.01431%0.311CS..  trans-77.1124.1179.4-63.90000110.8S74 L91 N93 E96 L100 R114S74-S77 WeakPolarHBondContact O-CB 3.28Å; S74-S77 PolarHBondContact O-N 3.24Å; S77-L91 CarbonylContact C-O 3.59Å; S77-L91 VanDerWaalsContact CA-O 3.22Å; S77-L91 WeakPolarHBondContact CA-O 3.2Å; S77-N93 PolarHBondContact OG-N 3.02Å; S77-N93 VanDerWaalsContact OG-N 3.1Å; S77-E96 WeakPolarHBondContact CB-OE2 3.31Å; S77-E96 PolarHBondContact OG-OE2 3.25Å; S77-L100 WeakPolarHBondContact O-CD1 3.33Å; S77-R114 PolarHBondContact O-NH1 3.27Å
78H91.5Very high79.9Confident63 Ų6355.9 Ų55.929%0.29232%0.321SS..EExtended strand (participates in β ladder)trans-141.2150.5-176.7-6894.8000112.4Y75 A76 L91Y75-H78 PolarHBondContact O-CE1 3.48Å; Y75-H78 PolarHBondContact O-NE2 3.36Å; A76-H78 PolarHBondContact O-ND1 2.67Å; H78-L91 PolarHBondContact N-O 3.36Å; H78-L91 PolarHBondContact O-N 2.69Å
79V89.9Confident79.2Confident4 Ų460.3 Ų60.32%0.02434%0.341CS..EExtended strand (participates in β ladder)trans-119.8109.9175.5-175.60000107.6I88 E89 C97 L100 Q104 Y110V79-I88 HydrophobicContact CG1-CG2 3.18Å; V79-E89 WeakPolarHBondContact CA-O 3.39Å; V79-C97 HydrophobicContact CG2-CB 3.96Å; V79-C97 WeakPolarHBondContact CG2-O 3.2Å; V79-L100 HydrophobicContact CG2-CB 3.81Å; V79-Q104 VanDerWaalsContact CG1-OE1 3.29Å; V79-Y110 HydrophobicContact CB-CE1 4.27Å; V79-Y110 PolarHBondContact N-OH 2.9Å; V79-Y110 PolarHBondContact O-OH 2.99Å
80Q84.3Confident78.8Confident101 Ų10161 Ų6147%0.47235%0.345SS..EExtended strand (participates in β ladder)trans-117.6156.4-177-63.6-175.914.700110.6I88 E89Q80-I88 CarbonylContact O-C 3.54Å; Q80-I88 VanDerWaalsContact O-CA 3.29Å; Q80-I88 WeakPolarHBondContact O-CA 3.24Å; Q80-I88 WeakPolarHBondContact O-CG2 3.45Å; Q80-E89 PolarHBondContact N-O 2.84Å; Q80-E89 PolarHBondContact O-N 2.94Å
81M70.4Confident78.4Confident147 Ų14764.2 Ų64.272%0.72436%0.361SS*.EExtended strand (participates in β ladder)trans-75.1124.6167.3-67.2-67.3-176.800108.7I88M81-I88 HydrophobicContact CE-CG1 4.42Å; M81-I88 HydrophobicContact SD-CD1 4.45Å; M81-I88 HydrophobicContact SD-CG1 3.73Å
82G61.1Low78.2Confident14 Ų1466.7 Ų66.714%0.14439%0.387CS..PPolyproline II helixtrans-69.3165.8179.100000113.2G84 G85 M87G82-G84 PolarHBondContact O-N 3.48Å; G82-G85 PolarHBondContact O-N 2.84Å; G82-M87 WeakPolarHBondContact CA-O 3.42Å; G82-M87 PolarHBondContact N-O 3.26Å
83K51Low78Confident219 Ų21970.5 Ų70.595%0.95241%0.407SS*.THydrogen-bonded Turntrans-59.8125.6-179.9-63.1180-177.8176.80110.3
84G50Low77.8Confident77 Ų7774 Ų7479%0.79442%0.422SS*.THydrogen-bonded Turntrans95.92.4178.600000115.9G82 E86G82-G84 PolarHBondContact O-N 3.48Å; G84-E86 VanDerWaalsContact C-N 3.27Å; G84-E86 PolarHBondContact O-N 2.98Å
85G49.4Very low77.9Confident65 Ų6572.6 Ų72.667%0.6741%0.412SS*.SBendtrans79.4-5.7169.700000116.2G82G82-G85 PolarHBondContact O-N 2.84Å
86E54.5Low78Confident171 Ų17171.5 Ų71.580%0.79941%0.408SS*.SBendtrans-87.9-23.9-175.4-67-172161.600114.1G84G84-E86 VanDerWaalsContact C-N 3.27Å; G84-E86 PolarHBondContact O-N 2.98Å
87M60.1Low78.2Confident90 Ų9068.2 Ų68.244%0.44338%0.381SS..  trans-148.4116.6-156.8-91-152.5-140.900114.8R35 G82R35-M87 PolarHBondContact NH2-SD 2.88Å; G82-M87 WeakPolarHBondContact CA-O 3.42Å; G82-M87 PolarHBondContact N-O 3.26Å
88I71.8Confident78.3Confident61 Ų6168.1 Ų68.131%0.31338%0.38SS..EExtended strand (participates in β ladder)trans-66.8126.4177.7-63.9174.3000111.9R35 V79 Q80 M81R35-I88 PolarHBondContact NE-O 3.44Å; R35-I88 PolarHBondContact NH2-O 3.41Å; R35-I88 VanDerWaalsContact NH2-O 3.17Å; V79-I88 HydrophobicContact CG1-CG2 3.18Å; Q80-I88 CarbonylContact O-C 3.54Å; Q80-I88 VanDerWaalsContact O-CA 3.29Å; Q80-I88 WeakPolarHBondContact O-CA 3.24Å; Q80-I88 WeakPolarHBondContact O-CG2 3.45Å; M81-I88 HydrophobicContact CE-CG1 4.42Å; M81-I88 HydrophobicContact SD-CD1 4.45Å; M81-I88 HydrophobicContact SD-CG1 3.73Å
89E81.8Confident78.5Confident94 Ų9465.1 Ų65.144%0.43937%0.366SS..EExtended strand (participates in β ladder)trans-93.3132.8176-167.1172.5177.600111.5V79 Q80 L91V79-E89 WeakPolarHBondContact CA-O 3.39Å; Q80-E89 PolarHBondContact N-O 2.84Å; Q80-E89 PolarHBondContact O-N 2.94Å; E89-L91 HydrophobicContact CG-CD2 4.32Å; E89-L91 HydrophobicContact CG-CG 4.39Å
90Q88.2Confident78.8Confident16 Ų1665 Ų658%0.07537%0.365CS..EExtended strand (participates in β ladder)trans-108.2108.3176.5-68.3-170.5-14.400110.1M36 K94 C97M36-Q90 PolarHBondContact O-NE2 2.9Å; Q90-K94 HydrophobicContact CB-CD 4.02Å; Q90-K94 PolarHBondContact O-NZ 3.34Å; Q90-C97 HydrophobicContact CB-CB 3.73Å; Q90-C97 HydrophobicContact CG-CB 3.67Å
91L88.4Confident79.3Confident67 Ų6761.2 Ų61.235%0.35135%0.354SS..EExtended strand (participates in β ladder)trans-101134.4178.4-63.1170000109.7S77 H78 E89 C97S77-L91 CarbonylContact C-O 3.59Å; S77-L91 VanDerWaalsContact CA-O 3.22Å; S77-L91 WeakPolarHBondContact CA-O 3.2Å; H78-L91 PolarHBondContact N-O 3.36Å; H78-L91 PolarHBondContact O-N 2.69Å; E89-L91 HydrophobicContact CG-CD2 4.32Å; E89-L91 HydrophobicContact CG-CG 4.39Å; L91-C97 PolarHBondContact O-SG 3.11Å
92G89.9Confident80.5Confident53 Ų5354.4 Ų54.455%0.54632%0.32SS..SBendtrans89.5-146.7-177.800000113.4K94G92-K94 PolarHBondContact O-N 3.3Å
93N92Very high82.1Confident80 Ų8053.8 Ų53.843%0.42831%0.314SS..  trans-74.2117.5-174.5-176.6-38.3000110.8S77 T95 E96 C97S77-N93 PolarHBondContact OG-N 3.02Å; S77-N93 VanDerWaalsContact OG-N 3.1Å; N93-T95 VanDerWaalsContact C-N 3.28Å; N93-T95 PolarHBondContact O-N 2.96Å; N93-T95 WeakPolarHBondContact OD1-CB 3.1Å; N93-T95 PolarHBondContact OD1-N 3.26Å; N93-T95 PolarHBondContact OD1-OG1 2.99Å; N93-E96 HydrophobicContact CB-CB 4.21Å; N93-E96 HydrophobicContact CB-CG 3.69Å; N93-E96 WeakPolarHBondContact O-CB 3.39Å; N93-E96 PolarHBondContact O-N 3.44Å; N93-C97 PolarHBondContact O-N 2.8Å; N93-C97 PolarHBondContact O-SG 2.89Å
94K91Very high84.2Confident74 Ų7446.4 Ų46.432%0.32228%0.283SS..Hα-helixtrans-57.3-36-177.2-59.1-64.4-174.3178.90113.6M36 Q90 G92 E96 C97 A98M36-K94 HydrophobicContact CB-CB 4.08Å; M36-K94 WeakPolarHBondContact CB-O 3.48Å; M36-K94 HydrophobicContact CG-CB 3.67Å; Q90-K94 HydrophobicContact CB-CD 4.02Å; Q90-K94 PolarHBondContact O-NZ 3.34Å; G92-K94 PolarHBondContact O-N 3.3Å; K94-E96 VanDerWaalsContact C-N 3.3Å; K94-E96 PolarHBondContact O-N 3.42Å; K94-C97 PolarHBondContact O-N 3.45Å; K94-A98 PolarHBondContact O-N 3.32Å
95T92.8Very high86.2Confident22 Ų2245.8 Ų45.814%0.13527%0.266CS..Hα-helixtrans-66.1-37177.5-46.30000111.1N93 A98 L99 R198 I200 I262N93-T95 VanDerWaalsContact C-N 3.28Å; N93-T95 PolarHBondContact O-N 2.96Å; N93-T95 WeakPolarHBondContact OD1-CB 3.1Å; N93-T95 PolarHBondContact OD1-N 3.26Å; N93-T95 PolarHBondContact OD1-OG1 2.99Å; T95-A98 WeakPolarHBondContact O-CB 3.4Å; T95-A98 PolarHBondContact O-N 2.99Å; T95-L99 PolarHBondContact O-N 3.41Å; T95-R198 PolarHBondContact OG1-NH1 2.85Å; T95-I200 HydrophobicContact CG2-CD1 4.13Å; T95-I200 HydrophobicContact CG2-CG1 3.9Å; T95-I262 HydrophobicContact CG2-CD1 3.7Å
96E95.1Very high88.3Confident12 Ų1243 Ų436%0.05624%0.236CC..Hα-helixtrans-73.3-42.6177.2-51.8-169.6139.800110.9S74 S77 N93 K94 A98 L99 L100 K153S74-E96 VanDerWaalsContact CB-OE2 3.22Å; S74-E96 WeakPolarHBondContact CB-OE2 3.46Å; S74-E96 PolarHBondContact N-OE1 3.03Å; S74-E96 PolarHBondContact N-OE2 3.04Å; S77-E96 WeakPolarHBondContact CB-OE2 3.31Å; S77-E96 PolarHBondContact OG-OE2 3.25Å; N93-E96 HydrophobicContact CB-CB 4.21Å; N93-E96 HydrophobicContact CB-CG 3.69Å; N93-E96 WeakPolarHBondContact O-CB 3.39Å; N93-E96 PolarHBondContact O-N 3.44Å; K94-E96 VanDerWaalsContact C-N 3.3Å; K94-E96 PolarHBondContact O-N 3.42Å; E96-A98 PolarHBondContact O-N 3.35Å; E96-L99 WeakPolarHBondContact O-CA 3.36Å; E96-L99 WeakPolarHBondContact O-CB 3.24Å; E96-L99 PolarHBondContact O-N 2.79Å; E96-L100 WeakPolarHBondContact O-CG 3.29Å; E96-L100 PolarHBondContact O-N 3.36Å; E96-K153 WeakPolarHBondContact OE1-CE 3.35Å; E96-K153 IonicContact OE1-NZ 3.37Å; E96-K153 PolarHBondContact OE1-NZ 2.97Å
97C95.2Very high90Very high0 Ų037.8 Ų37.80%023%0.228CC..Hα-helixtrans-57.3-35.1173.4-62.70000111.8V79 Q90 L91 N93 K94 L99 L100 G101V79-C97 HydrophobicContact CG2-CB 3.96Å; V79-C97 WeakPolarHBondContact CG2-O 3.2Å; Q90-C97 HydrophobicContact CB-CB 3.73Å; Q90-C97 HydrophobicContact CG-CB 3.67Å; L91-C97 PolarHBondContact O-SG 3.11Å; N93-C97 PolarHBondContact O-N 2.8Å; N93-C97 PolarHBondContact O-SG 2.89Å; K94-C97 PolarHBondContact O-N 3.45Å; C97-L99 VanDerWaalsContact C-N 3.33Å; C97-L99 PolarHBondContact O-N 2.89Å; C97-L100 PolarHBondContact O-N 3.21Å; C97-G101 PolarHBondContact O-N 3.27Å
98A95.5Very high91.6Very high1 Ų136.7 Ų36.71%0.00822%0.222CC..Hα-helixtrans-61.6-41.417300000112.4M36 K94 T95 E96 F102 I262M36-A98 VanDerWaalsContact C-CB 3.45Å; M36-A98 HydrophobicContact CB-CB 3.9Å; M36-A98 WeakPolarHBondContact O-CA 3.45Å; M36-A98 WeakPolarHBondContact O-CB 3.32Å; K94-A98 PolarHBondContact O-N 3.32Å; T95-A98 WeakPolarHBondContact O-CB 3.4Å; T95-A98 PolarHBondContact O-N 2.99Å; E96-A98 PolarHBondContact O-N 3.35Å; A98-F102 WeakPolarHBondContact O-CB 3.28Å; A98-F102 PolarHBondContact O-N 3.44Å; A98-I262 HydrophobicContact CB-CD1 3.99Å; A98-I262 HydrophobicContact CB-CG1 4.16Å; A98-I262 HydrophobicContact CB-CG2 3.6Å
99L96.7Very high92.6Very high0 Ų035.5 Ų35.50%022%0.219CC..Hα-helixtrans-70.1-41.7177.2-63.3176.4000111.6V38 A69 T95 E96 C97 F102 V103 K153 L202 V260 I262V38-L99 HydrophobicContact CG2-CD2 4.24Å; A69-L99 HydrophobicContact CB-CB 4.07Å; T95-L99 PolarHBondContact O-N 3.41Å; E96-L99 WeakPolarHBondContact O-CA 3.36Å; E96-L99 WeakPolarHBondContact O-CB 3.24Å; E96-L99 PolarHBondContact O-N 2.79Å; C97-L99 VanDerWaalsContact C-N 3.33Å; C97-L99 PolarHBondContact O-N 2.89Å; L99-F102 WeakPolarHBondContact O-CB 3.29Å; L99-F102 PolarHBondContact O-N 2.95Å; L99-V103 WeakPolarHBondContact O-CG2 3.28Å; L99-V103 PolarHBondContact O-N 3.27Å; L99-K153 HydrophobicContact CD1-CD 3.84Å; L99-L202 HydrophobicContact CD1-CD2 4.04Å; L99-L202 HydrophobicContact CD2-CD1 4.23Å; L99-V260 HydrophobicContact CD2-CG2 3.72Å; L99-I262 HydrophobicContact CD2-CD1 4.32Å
100L96.3Very high93.2Very high0 Ų031.1 Ų31.10%020%0.198CC..Hα-helixtrans-65.3-41176.2-62178.5000111.3S77 V79 E96 C97 F102 V103 Q104 Y110S77-L100 WeakPolarHBondContact O-CD1 3.33Å; V79-L100 HydrophobicContact CG2-CB 3.81Å; E96-L100 WeakPolarHBondContact O-CG 3.29Å; E96-L100 PolarHBondContact O-N 3.36Å; C97-L100 PolarHBondContact O-N 3.21Å; L100-F102 VanDerWaalsContact C-N 3.27Å; L100-F102 PolarHBondContact O-N 3.32Å; L100-V103 WeakPolarHBondContact O-CB 3.37Å; L100-V103 PolarHBondContact O-N 2.95Å; L100-V103 VanDerWaalsContact O-N 3.14Å; L100-Q104 PolarHBondContact O-N 3.46Å; L100-Y110 HydrophobicContact CB-CD1 3.92Å; L100-Y110 HydrophobicContact CB-CE1 4.02Å; L100-Y110 HydrophobicContact CB-CG 4.27Å; L100-Y110 HydrophobicContact CD1-CD2 4.29Å; L100-Y110 HydrophobicContact CD1-CE2 4.14Å; L100-Y110 HydrophobicContact CD2-CD1 4.31Å; L100-Y110 HydrophobicContact CD2-CD2 3.91Å; L100-Y110 HydrophobicContact CD2-CG 3.79Å; L100-Y110 HydrophobicContact CG-CG 4.45Å
101G94.1Very high93.5Very high22 Ų2233.2 Ų33.223%0.22721%0.208CC..Hα-helixtrans-63.2-33.8172.200000112.3C97 Q104 S105C97-G101 PolarHBondContact O-N 3.27Å; G101-Q104 PolarHBondContact O-N 2.91Å; G101-S105 PolarHBondContact O-N 3.03Å; G101-S105 PolarHBondContact O-OG 2.94Å
102F95.6Very high93.7Very high5 Ų536.6 Ų36.62%0.02222%0.22CC..Hα-helixtrans-66.9-36.6171.9-173.4-126.8000112.5V38 I43 T51 L65 A98 L99 L100 S105 L106 V260V38-F102 HydrophobicContact CB-CB 3.89Å; V38-F102 HydrophobicContact CB-CD2 3.78Å; V38-F102 HydrophobicContact CB-CE2 4.43Å; V38-F102 HydrophobicContact CB-CG 3.83Å; V38-F102 HydrophobicContact CG1-CD1 4.26Å; V38-F102 HydrophobicContact CG1-CD2 3.68Å; V38-F102 HydrophobicContact CG1-CE1 4.37Å; V38-F102 HydrophobicContact CG1-CE2 3.83Å; V38-F102 HydrophobicContact CG1-CG 3.92Å; V38-F102 HydrophobicContact CG1-CZ 4.18Å; V38-F102 HydrophobicContact CG2-CB 3.72Å; V38-F102 HydrophobicContact CG2-CD1 4.36Å; V38-F102 HydrophobicContact CG2-CD2 4.42Å; V38-F102 HydrophobicContact CG2-CG 3.94Å; I43-F102 HydrophobicContact CD1-CE1 4.37Å; I43-F102 HydrophobicContact CD1-CZ 4.12Å; T51-F102 HydrophobicContact CG2-CD2 4.29Å; T51-F102 HydrophobicContact CG2-CE2 3.96Å; L65-F102 HydrophobicContact CD2-CE1 3.97Å; A98-F102 WeakPolarHBondContact O-CB 3.28Å; A98-F102 PolarHBondContact O-N 3.44Å; L99-F102 WeakPolarHBondContact O-CB 3.29Å; L99-F102 PolarHBondContact O-N 2.95Å; L100-F102 VanDerWaalsContact C-N 3.27Å; L100-F102 PolarHBondContact O-N 3.32Å; F102-S105 WeakPolarHBondContact CA-OG 3.41Å; F102-S105 PolarHBondContact O-N 3.12Å; F102-S105 PolarHBondContact O-OG 2.91Å; F102-L106 HydrophobicContact CD1-CD1 4.32Å; F102-L106 HydrophobicContact CE1-CD1 4.12Å; F102-L106 HydrophobicContact CZ-CD1 4.28Å; F102-L106 VanDerWaalsContact O-CG 3.25Å; F102-L106 WeakPolarHBondContact O-CG 3.37Å; F102-L106 PolarHBondContact O-N 3.5Å; F102-L106 VanDerWaalsContact O-N 3.1Å; F102-V260 HydrophobicContact CE1-CG1 4.31Å
103V95.6Very high93.8Very high1 Ų135.1 Ų35.11%0.00620%0.199CC..Hα-helixtrans-63.1-43.3171.91750000111T66 A69 L99 L100 L106 Q108T66-V103 HydrophobicContact CG2-CG1 4.01Å; T66-V103 HydrophobicContact CG2-CG2 4.22Å; A69-V103 HydrophobicContact CB-CG2 3.63Å; L99-V103 WeakPolarHBondContact O-CG2 3.28Å; L99-V103 PolarHBondContact O-N 3.27Å; L100-V103 WeakPolarHBondContact O-CB 3.37Å; L100-V103 PolarHBondContact O-N 2.95Å; L100-V103 VanDerWaalsContact O-N 3.14Å; V103-L106 WeakPolarHBondContact O-CB 3.44Å; V103-L106 PolarHBondContact O-N 2.94Å; V103-Q108 CarbonylContact C-O 3.56Å; V103-Q108 HydrophobicContact CG1-CB 3.81Å; V103-Q108 PolarHBondContact O-N 3Å; V103-Q108 VanDerWaalsContact O-N 3.12Å
104Q93.6Very high93.9Very high64 Ų6432.1 Ų32.130%0.29918%0.182SC..Hα-helixtrans-64.5-40.5175.4-72.9-179.5-2900112.5V79 L100 G101 L106 G107 Q108 Y110 E111V79-Q104 VanDerWaalsContact CG1-OE1 3.29Å; L100-Q104 PolarHBondContact O-N 3.46Å; G101-Q104 PolarHBondContact O-N 2.91Å; Q104-L106 PolarHBondContact O-N 3.48Å; Q104-G107 WeakPolarHBondContact O-CA 3.45Å; Q104-G107 PolarHBondContact O-N 3.23Å; Q104-Q108 WeakPolarHBondContact CA-O 3.39Å; Q104-Y110 HydrophobicContact CG-CD1 3.99Å; Q104-Y110 HydrophobicContact CG-CE1 4.02Å; Q104-E111 PolarHBondContact NE2-OE1 2.8Å
105S91.8Very high93.9Very high64 Ų6435.9 Ų35.945%0.44820%0.201SC..Hα-helixtrans-68.5-23.517869.80000113.2T51 G101 F102 G107T51-S105 VanDerWaalsContact CG2-OG 3.25Å; T51-S105 WeakPolarHBondContact CG2-OG 3.34Å; T51-S105 PolarHBondContact OG1-OG 3.32Å; G101-S105 PolarHBondContact O-N 3.03Å; G101-S105 PolarHBondContact O-OG 2.94Å; F102-S105 WeakPolarHBondContact CA-OG 3.41Å; F102-S105 PolarHBondContact O-N 3.12Å; F102-S105 PolarHBondContact O-OG 2.91Å; S105-G107 PolarHBondContact O-N 3.39Å
106L93.6Very high93.8Very high6 Ų640.5 Ų40.53%0.03122%0.221CC..THydrogen-bonded Turntrans-76.41.4168.2-68.6172.5000113.5T51 P52 W54 L57 L65 T66 F102 V103 Q104 Q108T51-L106 HydrophobicContact CG2-CD2 3.95Å; T51-L106 HydrophobicContact CG2-CG 4.34Å; P52-L106 HydrophobicContact CG-CD2 4.02Å; P52-L106 VanDerWaalsContact O-CD2 3.22Å; P52-L106 WeakPolarHBondContact O-CD2 3.26Å; W54-L106 HydrophobicContact CE3-CB 4.16Å; L57-L106 HydrophobicContact CD1-CD1 4.35Å; L57-L106 HydrophobicContact CD1-CD2 3.85Å; L65-L106 HydrophobicContact CD2-CD1 4.03Å; T66-L106 HydrophobicContact CG2-CD1 4.46Å; F102-L106 HydrophobicContact CD1-CD1 4.32Å; F102-L106 HydrophobicContact CE1-CD1 4.12Å; F102-L106 HydrophobicContact CZ-CD1 4.28Å; F102-L106 VanDerWaalsContact O-CG 3.25Å; F102-L106 WeakPolarHBondContact O-CG 3.37Å; F102-L106 PolarHBondContact O-N 3.5Å; F102-L106 VanDerWaalsContact O-N 3.1Å; V103-L106 WeakPolarHBondContact O-CB 3.44Å; V103-L106 PolarHBondContact O-N 2.94Å; Q104-L106 PolarHBondContact O-N 3.48Å; L106-Q108 VanDerWaalsContact C-N 3.35Å
107G91.6Very high93.5Very high62 Ų6241 Ų4164%0.63923%0.225SC*.THydrogen-bonded Turntrans78.215.8-178.900000114.5Q104 S105Q104-G107 WeakPolarHBondContact O-CA 3.45Å; Q104-G107 PolarHBondContact O-N 3.23Å; S105-G107 PolarHBondContact O-N 3.39Å
108Q93.5Very high93.3Very high67 Ų6742.8 Ų42.831%0.31324%0.236SC..  trans-108.6156.5-179.3-59.1-60.1-44.200110.9W54 T66 V103 Q104 L106W54-Q108 HydrophobicContact CD2-CG 4.2Å; W54-Q108 VanDerWaalsContact CE2-NE2 3.35Å; W54-Q108 HydrophobicContact CE3-CG 3.74Å; W54-Q108 HydrophobicContact CH2-CG 3.76Å; W54-Q108 HydrophobicContact CZ2-CG 4.21Å; W54-Q108 HydrophobicContact CZ3-CG 3.52Å; T66-Q108 HydrophobicContact CG2-CB 4.15Å; T66-Q108 HydrophobicContact CG2-CG 4.09Å; V103-Q108 CarbonylContact C-O 3.56Å; V103-Q108 HydrophobicContact CG1-CB 3.81Å; V103-Q108 PolarHBondContact O-N 3Å; V103-Q108 VanDerWaalsContact O-N 3.12Å; Q104-Q108 WeakPolarHBondContact CA-O 3.39Å; L106-Q108 VanDerWaalsContact C-N 3.35Å
109S93.5Very high92.9Very high35 Ų3549 Ų4925%0.24527%0.265CS..  trans-107.9118.2177.1168.40000110.4E111 K112S109-E111 VanDerWaalsContact C-N 3.26Å; S109-E111 PolarHBondContact OG-N 3.45Å; S109-E111 PolarHBondContact OG-OE2 2.91Å; S109-K112 PolarHBondContact OG-N 3.31Å
110Y93.9Very high92.5Very high2 Ų255.5 Ų55.51%0.00830%0.3CS..Hα-helixtrans-71.1-27.1173.268.9-96.1000111.2S70 V79 L100 Q104 L113 R114S70-Y110 WeakPolarHBondContact OG-CA 3.42Å; S70-Y110 WeakPolarHBondContact OG-CB 3.37Å; V79-Y110 HydrophobicContact CB-CE1 4.27Å; V79-Y110 PolarHBondContact N-OH 2.9Å; V79-Y110 PolarHBondContact O-OH 2.99Å; L100-Y110 HydrophobicContact CB-CD1 3.92Å; L100-Y110 HydrophobicContact CB-CE1 4.02Å; L100-Y110 HydrophobicContact CB-CG 4.27Å; L100-Y110 HydrophobicContact CD1-CD2 4.29Å; L100-Y110 HydrophobicContact CD1-CE2 4.14Å; L100-Y110 HydrophobicContact CD2-CD1 4.31Å; L100-Y110 HydrophobicContact CD2-CD2 3.91Å; L100-Y110 HydrophobicContact CD2-CG 3.79Å; L100-Y110 HydrophobicContact CG-CG 4.45Å; Q104-Y110 HydrophobicContact CG-CD1 3.99Å; Q104-Y110 HydrophobicContact CG-CE1 4.02Å; Y110-L113 PolarHBondContact O-N 3.21Å; Y110-R114 WeakPolarHBondContact O-CG 3.19Å; Y110-R114 PolarHBondContact O-N 3.45Å
111E93.4Very high92.1Very high61 Ų6160.8 Ų60.829%0.28532%0.32SS..Hα-helixtrans-64-43.6177.4-5685.1169.100111Q104 S109 L113 R114 Q115Q104-E111 PolarHBondContact NE2-OE1 2.8Å; S109-E111 VanDerWaalsContact C-N 3.26Å; S109-E111 PolarHBondContact OG-N 3.45Å; S109-E111 PolarHBondContact OG-OE2 2.91Å; E111-L113 PolarHBondContact O-N 3.42Å; E111-R114 PolarHBondContact O-N 3.38Å; E111-Q115 WeakPolarHBondContact O-CG 3.46Å; E111-Q115 PolarHBondContact O-N 3.38Å
112K93.7Very high91.9Very high137 Ų13761.2 Ų61.260%0.59632%0.317SS*.Hα-helixtrans-59.6-45.7173.5-70.2-177.7-176.1-179.70111.7S109 R114 Q115 E116S109-K112 PolarHBondContact OG-N 3.31Å; K112-R114 VanDerWaalsContact C-N 3.29Å; K112-R114 PolarHBondContact O-N 2.83Å; K112-Q115 WeakPolarHBondContact O-CB 3.37Å; K112-Q115 PolarHBondContact O-N 3.28Å; K112-E116 WeakPolarHBondContact O-CG 3.32Å; K112-E116 PolarHBondContact O-N 3.07Å
113L91.2Very high91.6Very high23 Ų2363.5 Ų63.512%0.1233%0.331CS..Hα-helixtrans-62.1-36.2177.7-68.6171.5000112.4Q67 S70 Y110 E111 E116 T117Q67-L113 HydrophobicContact CG-CD2 4.14Å; S70-L113 WeakPolarHBondContact OG-CD1 3.48Å; Y110-L113 PolarHBondContact O-N 3.21Å; E111-L113 PolarHBondContact O-N 3.42Å; L113-E116 PolarHBondContact O-N 3.27Å; L113-T117 PolarHBondContact O-N 3.38Å
114R93.3Very high91.4Very high16 Ų1665.9 Ų65.96%0.0634%0.341CS..Hα-helixtrans-74.9-28.9175.5-72.2-179.7175.1-176.2-8.9113.4S70 S73 S74 Y75 S77 Y110 E111 K112 T117 P118S70-R114 PolarHBondContact O-NE 2.93Å; S70-R114 PolarHBondContact O-NH2 3.32Å; S73-R114 PolarHBondContact O-NH2 2.87Å; S74-R114 PolarHBondContact O-NH2 3.27Å; Y75-R114 HydrophobicContact CD1-CB 4.36Å; Y75-R114 HydrophobicContact CD1-CG 4.23Å; Y75-R114 HydrophobicContact CE1-CB 3.75Å; Y75-R114 HydrophobicContact CE1-CG 3.69Å; Y75-R114 HydrophobicContact CE2-CG 4.37Å; S77-R114 PolarHBondContact O-NH1 3.27Å; Y110-R114 WeakPolarHBondContact O-CG 3.19Å; Y110-R114 PolarHBondContact O-N 3.45Å; E111-R114 PolarHBondContact O-N 3.38Å; K112-R114 VanDerWaalsContact C-N 3.29Å; K112-R114 PolarHBondContact O-N 2.83Å; R114-T117 CarbonylContact O-C 3.55Å; R114-T117 PolarHBondContact O-N 2.91Å; R114-P118 WeakPolarHBondContact O-CA 3.23Å
115Q92Very high91.4Very high154 Ų15465.4 Ų65.472%0.7234%0.343SS*.Hα-helixtrans-68.4-38.5170.4-73171.51.800111.4E111 K112 T117E111-Q115 WeakPolarHBondContact O-CG 3.46Å; E111-Q115 PolarHBondContact O-N 3.38Å; K112-Q115 WeakPolarHBondContact O-CB 3.37Å; K112-Q115 PolarHBondContact O-N 3.28Å; Q115-T117 VanDerWaalsContact C-N 3.34Å
116E89.7Confident91.5Very high119 Ų11962.9 Ų62.956%0.55632%0.323SS*.Hα-helixtrans-69.3-34.1175.3-70.4172.9-171.500112.1K112 L113 R121K112-E116 WeakPolarHBondContact O-CG 3.32Å; K112-E116 PolarHBondContact O-N 3.07Å; L113-E116 PolarHBondContact O-N 3.27Å; E116-R121 PolarHBondContact O-NH1 2.99Å
117T90.3Very high91.4Very high22 Ų2267 Ų6714%0.13535%0.349CS..SBendtrans-122.780.3177.7-47.60000110.6I71 Y75 L113 R114 Q115 L122 I139I71-T117 HydrophobicContact CD1-CG2 4.23Å; I71-T117 HydrophobicContact CG2-CG2 4.38Å; Y75-T117 WeakPolarHBondContact CE1-O 3.07Å; Y75-T117 PolarHBondContact OH-O 3.17Å; L113-T117 PolarHBondContact O-N 3.38Å; R114-T117 CarbonylContact O-C 3.55Å; R114-T117 PolarHBondContact O-N 2.91Å; Q115-T117 VanDerWaalsContact C-N 3.34Å; T117-L122 HydrophobicContact CG2-CD2 4.25Å; T117-I139 HydrophobicContact CG2-CG2 4.03Å
118P89.7Confident91.4Very high37 Ų3770.2 Ų70.224%0.2435%0.345CS..  trans-70.3163.7177.330.4-36.6000112R114 D120 R121R114-P118 WeakPolarHBondContact O-CA 3.23Å; P118-D120 VanDerWaalsContact C-N 3.28Å; P118-D120 WeakPolarHBondContact CB-OD1 3.29Å; P118-D120 WeakPolarHBondContact CG-OD1 3.23Å; P118-D120 PolarHBondContact O-N 3.38Å; P118-R121 HydrophobicContact CG-CG 4.07Å; P118-R121 WeakPolarHBondContact O-CB 3.46Å; P118-R121 PolarHBondContact O-N 2.96Å
119E87.6Confident91.2Very high131 Ų13169.8 Ų69.861%0.61235%0.346SS*.G310 helixtrans-62.2-31.1-171-171.7171.1-167.200113.5Y75 R121 L122Y75-E119 HydrophobicContact CD1-CB 4.23Å; E119-R121 PolarHBondContact O-N 2.98Å; E119-L122 HydrophobicContact CG-CD1 4.18Å; E119-L122 WeakPolarHBondContact O-CB 3.22Å; E119-L122 VanDerWaalsContact O-CG 3.31Å; E119-L122 WeakPolarHBondContact O-CG 3.29Å; E119-L122 PolarHBondContact O-N 3.36Å; E119-L122 VanDerWaalsContact O-N 3.13Å
120D88.3Confident90.9Very high138 Ų13872.9 Ų72.974%0.73837%0.367SS*.G310 helixtrans-66-16.5175.362.7-53.5000113.6P118P118-D120 VanDerWaalsContact C-N 3.28Å; P118-D120 WeakPolarHBondContact CB-OD1 3.29Å; P118-D120 WeakPolarHBondContact CG-OD1 3.23Å; P118-D120 PolarHBondContact O-N 3.38Å
121R87.4Confident90.6Very high111 Ų11179.3 Ų79.342%0.41941%0.406SS..G310 helixtrans-89.7-3.2174.8-66.8-165.8-174.5150.97.5114.1E116 P118 E119 V123E116-R121 PolarHBondContact O-NH1 2.99Å; P118-R121 HydrophobicContact CG-CG 4.07Å; P118-R121 WeakPolarHBondContact O-CB 3.46Å; P118-R121 PolarHBondContact O-N 2.96Å; E119-R121 PolarHBondContact O-N 2.98Å; R121-V123 PolarHBondContact O-N 3.11Å
122L90.7Very high90.4Very high30 Ų3078.8 Ų78.816%0.15740%0.402CS..EExtended strand (participates in β ladder)trans-75115.7176.5-53.8-175.9000108.5I71 Y75 T117 E119 V125 T137 I139I71-L122 HydrophobicContact CG2-CD2 3.9Å; Y75-L122 HydrophobicContact CE2-CD1 4.25Å; T117-L122 HydrophobicContact CG2-CD2 4.25Å; E119-L122 HydrophobicContact CG-CD1 4.18Å; E119-L122 WeakPolarHBondContact O-CB 3.22Å; E119-L122 VanDerWaalsContact O-CG 3.31Å; E119-L122 WeakPolarHBondContact O-CG 3.29Å; E119-L122 PolarHBondContact O-N 3.36Å; E119-L122 VanDerWaalsContact O-N 3.13Å; L122-V125 HydrophobicContact CB-CG2 4.02Å; L122-V125 HydrophobicContact CD1-CG2 3.79Å; L122-T137 HydrophobicContact CB-CG2 4.41Å; L122-T137 HydrophobicContact CD1-CG2 4.02Å; L122-T137 HydrophobicContact CD2-CG2 3.67Å; L122-T137 HydrophobicContact CG-CG2 4.23Å; L122-I139 HydrophobicContact CD2-CG2 3.59Å
123V89.6Confident90.4Very high53 Ų5377.2 Ų77.232%0.32140%0.395SS..EExtended strand (participates in β ladder)trans-68.1-43.2-177.4177.50000110.5R121 V138 E140 Y148 W244R121-V123 PolarHBondContact O-N 3.11Å; V123-V138 HydrophobicContact CB-CB 4.25Å; V123-V138 HydrophobicContact CB-CG1 4.05Å; V123-V138 HydrophobicContact CG1-CG1 4.41Å; V123-V138 PolarHBondContact N-O 3.24Å; V123-E140 HydrophobicContact CG2-CB 4.26Å; V123-Y148 HydrophobicContact CG1-CE1 4.15Å; V123-Y148 HydrophobicContact CG2-CD1 4.09Å; V123-Y148 HydrophobicContact CG2-CE1 3.93Å; V123-W244 HydrophobicContact CG1-CD2 4.29Å; V123-W244 HydrophobicContact CG1-CZ2 4.01Å
124K91.8Very high90.5Very high51 Ų5176.1 Ų76.122%0.22239%0.389CS..EExtended strand (participates in β ladder)trans-155.9138177.9-169.972171.1-1710110Y126 V138 W244 E245K124-Y126 HydrophobicContact CG-CD2 4.45Å; K124-Y126 HydrophobicContact CG-CE1 4.13Å; K124-Y126 HydrophobicContact CG-CE2 3.99Å; K124-V138 HydrophobicContact CB-CB 4.33Å; K124-V138 HydrophobicContact CB-CG2 4.31Å; K124-V138 PolarHBondContact O-N 2.96Å; K124-W244 HydrophobicContact CB-CB 4.36Å; K124-W244 HydrophobicContact CD-CB 4.21Å; K124-W244 WeakPolarHBondContact CE-O 3.5Å; K124-W244 HydrophobicContact CG-CB 4.17Å; K124-E245 IonicContact NZ-OE1 2.64Å; K124-E245 PolarHBondContact NZ-OE1 3.4Å; K124-E245 IonicContact NZ-OE2 2.86Å; K124-E245 PolarHBondContact NZ-OE2 3.13Å
125V92.9Very high90.6Very high54 Ų5476.3 Ų76.333%0.32739%0.391SS..EExtended strand (participates in β ladder)trans-120.1115173.1-176.90000109.1L122 T127 M135 T137L122-V125 HydrophobicContact CB-CG2 4.02Å; L122-V125 HydrophobicContact CD1-CG2 3.79Å; V125-T127 HydrophobicContact CG1-CG2 4.17Å; V125-T127 PolarHBondContact O-N 2.99Å; V125-M135 HydrophobicContact CG1-CE 3.78Å; V125-T137 HydrophobicContact CG2-CG2 4.14Å
126Y93.2Very high90.8Very high12 Ų1269 Ų695%0.04736%0.357CS..EExtended strand (participates in β ladder)trans-88.396.1169.1-62.7-71.9000108.2K124 M135 S136 V138 W244 E247 V250 V251K124-Y126 HydrophobicContact CG-CD2 4.45Å; K124-Y126 HydrophobicContact CG-CE1 4.13Å; K124-Y126 HydrophobicContact CG-CE2 3.99Å; Y126-M135 CarbonylContact O-C 3.39Å; Y126-M135 VanDerWaalsContact O-CA 3.26Å; Y126-M135 WeakPolarHBondContact O-CA 3.39Å; Y126-M135 WeakPolarHBondContact O-CG 3.47Å; Y126-S136 PolarHBondContact N-O 2.89Å; Y126-S136 PolarHBondContact O-N 3.46Å; Y126-V138 HydrophobicContact CE2-CG2 4.26Å; Y126-W244 WeakPolarHBondContact CE1-O 3.4Å; Y126-W244 PolarHBondContact OH-O 3.46Å; Y126-E247 HydrophobicContact CD1-CB 4.19Å; Y126-E247 HydrophobicContact CD1-CG 4.09Å; Y126-E247 HydrophobicContact CE1-CB 3.88Å; Y126-E247 HydrophobicContact CE1-CG 4.2Å; Y126-V250 HydrophobicContact CE2-CB 4.45Å; Y126-V250 HydrophobicContact CE2-CG1 3.79Å; Y126-V251 HydrophobicContact CD2-CG2 4.2Å; Y126-V251 HydrophobicContact CE2-CG2 4.29Å
127T92.2Very high91Very high93 Ų9363.4 Ų63.457%0.57133%0.331SS*.  trans-66.7158-177.556.80000112.1V125 N129 R132V125-T127 HydrophobicContact CG1-CG2 4.17Å; V125-T127 PolarHBondContact O-N 2.99Å; T127-N129 PolarHBondContact O-N 3.5Å; T127-R132 VanDerWaalsContact O-CD 3.28Å; T127-R132 WeakPolarHBondContact O-CD 3.47Å; T127-R132 PolarHBondContact O-NE 3.25Å
128F91.8Very high91.2Very high128 Ų12862.4 Ų62.456%0.56133%0.325SS*.  trans-65132.8176.2179.1-86.2000111.4K133 S134 M135F128-K133 VanDerWaalsContact CE2-C 3.41Å; F128-K133 VanDerWaalsContact CE2-CA 3.46Å; F128-K133 HydrophobicContact CE2-CB 4.36Å; F128-S134 WeakPolarHBondContact CA-O 3.38Å; F128-M135 HydrophobicContact CB-CB 4.38Å
129N88.8Confident91.3Very high59 Ų5961.2 Ų61.232%0.31632%0.316SS..  trans-136.8160.8165.878.625.2000111T127 V131 R132 K133T127-N129 PolarHBondContact O-N 3.5Å; N129-V131 PolarHBondContact O-N 3.01Å; N129-V131 VanDerWaalsContact O-N 3.17Å; N129-V131 PolarHBondContact OD1-N 3.47Å; N129-V131 VanDerWaalsContact OD1-N 3.11Å; N129-R132 VanDerWaalsContact CG-NE 3.33Å; N129-R132 PolarHBondContact ND2-NE 2.94Å; N129-R132 PolarHBondContact ND2-NH2 3.36Å; N129-R132 PolarHBondContact O-N 3.41Å; N129-R132 WeakPolarHBondContact OD1-CB 3.44Å; N129-R132 VanDerWaalsContact OD1-CG 3.25Å; N129-R132 WeakPolarHBondContact OD1-CG 3.49Å; N129-R132 PolarHBondContact OD1-N 3.35Å; N129-K133 WeakPolarHBondContact O-CA 3.27Å; N129-K133 PolarHBondContact O-N 3.42Å
130S87.9Confident91.3Very high100 Ų10061 Ų6170%0.69932%0.315SS*.THydrogen-bonded Turntrans-63.9-20.5-175.2-56.90000114.6K133S130-K133 WeakPolarHBondContact O-CG 3.31Å
131V88.1Confident90.9Very high136 Ų13656.4 Ų56.482%0.82429%0.288SS*.THydrogen-bonded Turntrans-80.7-50178.5-178.20000110.3N129N129-V131 PolarHBondContact O-N 3.01Å; N129-V131 VanDerWaalsContact O-N 3.17Å; N129-V131 PolarHBondContact OD1-N 3.47Å; N129-V131 VanDerWaalsContact OD1-N 3.11Å
132R89Confident90.1Very high51 Ų5158.7 Ų58.719%0.19230%0.302CS..THydrogen-bonded Turntrans-82.7-24.6-176.280.9-178.966.7-151.4-13.4113.8T127 N129 S134 E247T127-R132 VanDerWaalsContact O-CD 3.28Å; T127-R132 WeakPolarHBondContact O-CD 3.47Å; T127-R132 PolarHBondContact O-NE 3.25Å; N129-R132 VanDerWaalsContact CG-NE 3.33Å; N129-R132 PolarHBondContact ND2-NE 2.94Å; N129-R132 PolarHBondContact ND2-NH2 3.36Å; N129-R132 PolarHBondContact O-N 3.41Å; N129-R132 WeakPolarHBondContact OD1-CB 3.44Å; N129-R132 VanDerWaalsContact OD1-CG 3.25Å; N129-R132 WeakPolarHBondContact OD1-CG 3.49Å; N129-R132 PolarHBondContact OD1-N 3.35Å; R132-S134 WeakPolarHBondContact CD-O 3.43Å; R132-S134 VanDerWaalsContact CG-O 3.23Å; R132-S134 WeakPolarHBondContact CG-O 3.35Å; R132-S134 PolarHBondContact O-N 2.91Å; R132-S134 PolarHBondContact O-OG 2.9Å; R132-E247 VanDerWaalsContact CZ-CD 3.46Å; R132-E247 IonicContact CZ-OE1 2.92Å; R132-E247 IonicContact CZ-OE2 3.9Å; R132-E247 IonicContact NE-OE1 3.89Å; R132-E247 IonicContact NE-OE2 3.17Å; R132-E247 IonicContact NH1-OE1 2.79Å; R132-E247 PolarHBondContact NH1-OE1 3.35Å; R132-E247 IonicContact NH1-OE2 2.96Å; R132-E247 PolarHBondContact NH1-OE2 3Å; R132-E247 IonicContact NH2-OE1 2.66Å; R132-E247 IonicContact NH2-OE2 2.75Å; R132-E247 PolarHBondContact NH2-OE2 3.48Å
133K93Very high88.7Confident103 Ų10361.3 Ų61.345%0.44832%0.316SS..  trans48.431179.3-64.8174.3170.9178.90114.6F128 N129 S130 G154 A155 I158F128-K133 VanDerWaalsContact CE2-C 3.41Å; F128-K133 VanDerWaalsContact CE2-CA 3.46Å; F128-K133 HydrophobicContact CE2-CB 4.36Å; N129-K133 WeakPolarHBondContact O-CA 3.27Å; N129-K133 PolarHBondContact O-N 3.42Å; S130-K133 WeakPolarHBondContact O-CG 3.31Å; K133-G154 WeakPolarHBondContact O-CA 3.37Å; K133-A155 HydrophobicContact CB-CB 4.25Å; K133-A155 PolarHBondContact O-N 3.34Å; K133-I158 HydrophobicContact CB-CD1 3.57Å; K133-I158 HydrophobicContact CD-CD1 3.32Å; K133-I158 HydrophobicContact CG-CD1 3.99Å
134S94Very high87Confident1 Ų165.3 Ų65.31%0.00734%0.335CS..EExtended strand (participates in β ladder)trans-153.3158.2-177.351.10000110.5F128 R132 K153F128-S134 WeakPolarHBondContact CA-O 3.38Å; R132-S134 WeakPolarHBondContact CD-O 3.43Å; R132-S134 VanDerWaalsContact CG-O 3.23Å; R132-S134 WeakPolarHBondContact CG-O 3.35Å; R132-S134 PolarHBondContact O-N 2.91Å; R132-S134 PolarHBondContact O-OG 2.9Å; S134-K153 CarbonylContact C-O 3.39Å; S134-K153 WeakPolarHBondContact CA-O 3.3Å; S134-K153 WeakPolarHBondContact CB-O 3.43Å
135M94.6Very high85.4Confident19 Ų1965.2 Ų65.29%0.09434%0.336CS..EExtended strand (participates in β ladder)trans-125.3138173.1175.2-17817900107.9N72 V125 Y126 F128 S152 K153N72-M135 PolarHBondContact ND2-O 3.25Å; V125-M135 HydrophobicContact CG1-CE 3.78Å; Y126-M135 CarbonylContact O-C 3.39Å; Y126-M135 VanDerWaalsContact O-CA 3.26Å; Y126-M135 WeakPolarHBondContact O-CA 3.39Å; Y126-M135 WeakPolarHBondContact O-CG 3.47Å; F128-M135 HydrophobicContact CB-CB 4.38Å; M135-S152 CarbonylContact O-C 3.58Å; M135-S152 WeakPolarHBondContact O-CA 3.44Å; M135-K153 HydrophobicContact CB-CG 4.33Å; M135-K153 PolarHBondContact N-O 3.49Å; M135-K153 PolarHBondContact O-N 2.94Å
136S95.5Very high84.4Confident1 Ų163.8 Ų63.81%0.00733%0.332CS..EExtended strand (participates in β ladder)trans-134.5141.6177.1-49.30000112N72 Y126 Y151 S152N72-S136 VanDerWaalsContact OD1-C 3.26Å; N72-S136 WeakPolarHBondContact OD1-CA 3.43Å; Y126-S136 PolarHBondContact N-O 2.89Å; Y126-S136 PolarHBondContact O-N 3.46Å; S136-Y151 CarbonylContact C-O 3.55Å; S136-Y151 WeakPolarHBondContact CA-O 3.42Å; S136-Y151 WeakPolarHBondContact CB-O 3.48Å; S136-S152 WeakPolarHBondContact CB-OG 3.36Å; S136-S152 WeakPolarHBondContact OG-CB 2.89Å; S136-S152 PolarHBondContact OG-OG 3.37Å
137T95.3Very high83.9Confident1 Ų163.4 Ų63.41%0.00633%0.331CS..EExtended strand (participates in β ladder)trans-130128.5-177.5-61.10000109.3I71 N72 L122 V125 I139 L150 Y151I71-T137 HydrophobicContact CG2-CG2 4.06Å; N72-T137 WeakPolarHBondContact OD1-CB 3.39Å; N72-T137 PolarHBondContact OD1-N 2.89Å; N72-T137 PolarHBondContact OD1-OG1 2.99Å; L122-T137 HydrophobicContact CB-CG2 4.41Å; L122-T137 HydrophobicContact CD1-CG2 4.02Å; L122-T137 HydrophobicContact CD2-CG2 3.67Å; L122-T137 HydrophobicContact CG-CG2 4.23Å; V125-T137 HydrophobicContact CG2-CG2 4.14Å; T137-I139 HydrophobicContact CG2-CG2 4.4Å; T137-L150 CarbonylContact O-C 3.45Å; T137-L150 WeakPolarHBondContact O-CA 3.43Å; T137-Y151 PolarHBondContact N-O 3.35Å; T137-Y151 PolarHBondContact O-N 3.26Å
138V93.4Very high83.7Confident1 Ų161.2 Ų61.21%0.00631%0.313CS..EExtended strand (participates in β ladder)trans-103131.5178.7-175.20000109.5V123 K124 Y126 Y148 R149 L150 W244V123-V138 HydrophobicContact CB-CB 4.25Å; V123-V138 HydrophobicContact CB-CG1 4.05Å; V123-V138 HydrophobicContact CG1-CG1 4.41Å; V123-V138 PolarHBondContact N-O 3.24Å; K124-V138 HydrophobicContact CB-CB 4.33Å; K124-V138 HydrophobicContact CB-CG2 4.31Å; K124-V138 PolarHBondContact O-N 2.96Å; Y126-V138 HydrophobicContact CE2-CG2 4.26Å; V138-Y148 HydrophobicContact CG1-CD1 4.14Å; V138-Y148 HydrophobicContact CG1-CG 4.45Å; V138-R149 WeakPolarHBondContact CA-O 3.47Å; V138-L150 HydrophobicContact CG2-CB 4.26Å; V138-L150 HydrophobicContact CG2-CD1 3.9Å; V138-L150 HydrophobicContact CG2-CG 4.2Å; V138-W244 HydrophobicContact CB-CZ3 4.29Å; V138-W244 HydrophobicContact CG1-CE3 4.32Å; V138-W244 HydrophobicContact CG1-CH2 3.65Å; V138-W244 HydrophobicContact CG1-CZ2 4.44Å; V138-W244 HydrophobicContact CG1-CZ3 3.57Å; V138-W244 HydrophobicContact CG2-CE3 4.24Å; V138-W244 HydrophobicContact CG2-CZ3 3.95Å
139I91.9Very high83.7Confident13 Ų1356.5 Ų56.57%0.06729%0.292CS..EExtended strand (participates in β ladder)trans-125.9152.3173.564.1168000110.6I71 T117 L122 T137 Y148 R149 Y151I71-I139 HydrophobicContact CD1-CD1 4.1Å; I71-I139 HydrophobicContact CG2-CG2 3.83Å; T117-I139 HydrophobicContact CG2-CG2 4.03Å; L122-I139 HydrophobicContact CD2-CG2 3.59Å; T137-I139 HydrophobicContact CG2-CG2 4.4Å; I139-Y148 CarbonylContact O-C 3.41Å; I139-Y148 WeakPolarHBondContact O-CA 3.43Å; I139-R149 HydrophobicContact CG1-CB 3.96Å; I139-R149 PolarHBondContact N-O 3.34Å; I139-R149 PolarHBondContact O-N 2.88Å; I139-Y151 HydrophobicContact CD1-CE2 3.76Å; I139-Y151 HydrophobicContact CG1-CE2 4.24Å
140E88.1Confident83.9Confident127 Ų12753.7 Ų53.759%0.59328%0.277SS*.EExtended strand (participates in β ladder)trans-85.2137.7168.5-170.2175.5-163.400110.4V123 Y148V123-E140 HydrophobicContact CG2-CB 4.26Å; E140-Y148 HydrophobicContact CB-CD1 4.35Å; E140-Y148 HydrophobicContact CB-CE1 4.3Å; E140-Y148 HydrophobicContact CG-CE1 4.39Å
141K80.7Confident84.4Confident40 Ų4049 Ų4917%0.17424%0.243CC..  trans-85.9133.7177.2-75.3-161.971.4-163.20111.4D143 G147 R149K141-D143 VanDerWaalsContact C-N 3.34Å; K141-D143 WeakPolarHBondContact CE-OD2 3.37Å; K141-D143 IonicContact NZ-OD2 3.36Å; K141-D143 PolarHBondContact NZ-OD2 3.33Å; K141-D143 PolarHBondContact O-N 3.44Å; K141-G147 PolarHBondContact N-O 3.09Å; K141-R149 HydrophobicContact CG-CB 4.28Å
142K69.2Low84.8Confident160 Ų16042.5 Ų42.570%0.69620%0.204SC*.  trans-75.1-14175.6-73-170.5175.4-179.50115.5
143D62.2Low85.1Confident84 Ų8440.9 Ų40.945%0.44920%0.199SC..SBendtrans-61.1148.4-177.4-57-11.6000109.8K141 Q145 G146K141-D143 VanDerWaalsContact C-N 3.34Å; K141-D143 WeakPolarHBondContact CE-OD2 3.37Å; K141-D143 IonicContact NZ-OD2 3.36Å; K141-D143 PolarHBondContact NZ-OD2 3.33Å; K141-D143 PolarHBondContact O-N 3.44Å; D143-Q145 PolarHBondContact O-N 3.19Å; D143-G146 PolarHBondContact O-N 2.85Å
144N54.3Low85.2Confident138 Ų13836.3 Ų36.374%0.73818%0.18SC*.THydrogen-bonded Turntrans-51-11.4178.4-69.54.5000114.8F226N144-F226 WeakPolarHBondContact O-CE2 3.45Å
145Q56.7Low85.2Confident48 Ų4837.7 Ų37.722%0.22419%0.192CC..THydrogen-bonded Turntrans-87.1-11.6179.1-66.7175.3-1600114.3D143 F226 S229D143-Q145 PolarHBondContact O-N 3.19Å; Q145-F226 HydrophobicContact CB-CE2 4.47Å; Q145-F226 HydrophobicContact CG-CE2 4.42Å; Q145-F226 HydrophobicContact CG-CZ 4.38Å; Q145-S229 PolarHBondContact NE2-OG 2.88Å
146G71.8Confident85.2Confident25 Ų2536.9 Ų36.926%0.25819%0.188SC..  trans57.4-167.9-174.600000114D143D143-G146 PolarHBondContact O-N 2.85Å
147G83.2Confident85Confident3 Ų342.5 Ų42.53%0.03121%0.214CC..  trans101.6178.1175.400000114.3K141 D207K141-G147 PolarHBondContact N-O 3.09Å; G147-D207 WeakPolarHBondContact CA-O 3.41Å
148Y88.7Confident84.8Confident48 Ų4845.1 Ų45.119%0.18823%0.228CC..EExtended strand (participates in β ladder)trans-113.4147-172.5-60.5-80000111.2V123 V138 I139 E140 Q206 D207 Y238 W244V123-Y148 HydrophobicContact CG1-CE1 4.15Å; V123-Y148 HydrophobicContact CG2-CD1 4.09Å; V123-Y148 HydrophobicContact CG2-CE1 3.93Å; V138-Y148 HydrophobicContact CG1-CD1 4.14Å; V138-Y148 HydrophobicContact CG1-CG 4.45Å; I139-Y148 CarbonylContact O-C 3.41Å; I139-Y148 WeakPolarHBondContact O-CA 3.43Å; E140-Y148 HydrophobicContact CB-CD1 4.35Å; E140-Y148 HydrophobicContact CB-CE1 4.3Å; E140-Y148 HydrophobicContact CG-CE1 4.39Å; Y148-Q206 PolarHBondContact O-NE2 3.05Å; Y148-D207 PolarHBondContact N-O 2.97Å; Y148-D207 VanDerWaalsContact N-O 3.1Å; Y148-D207 PolarHBondContact O-N 3.47Å; Y148-Y238 HydrophobicContact CD2-CE1 4.13Å; Y148-Y238 HydrophobicContact CE2-CE1 4.45Å; Y148-W244 AromaticContact CD1-CH2 3.86Å; Y148-W244 HydrophobicContact CD1-CH2 3.86Å; Y148-W244 AromaticContact CD1-CZ2 3.79Å; Y148-W244 HydrophobicContact CD1-CZ2 3.79Å; Y148-W244 AromaticContact CD2-CH2 3.78Å; Y148-W244 HydrophobicContact CD2-CH2 3.78Å; Y148-W244 AromaticContact CD2-CZ2 3.79Å; Y148-W244 HydrophobicContact CD2-CZ2 3.79Å; Y148-W244 HydrophobicContact CE1-CH2 4.31Å; Y148-W244 AromaticContact CE1-CZ2 3.75Å; Y148-W244 HydrophobicContact CE1-CZ2 3.75Å; Y148-W244 HydrophobicContact CE2-CH2 4.24Å; Y148-W244 AromaticContact CE2-CZ2 3.76Å; Y148-W244 HydrophobicContact CE2-CZ2 3.76Å; Y148-W244 AromaticContact CG-CH2 3.56Å; Y148-W244 HydrophobicContact CG-CH2 3.56Å; Y148-W244 AromaticContact CG-CZ2 3.8Å; Y148-W244 HydrophobicContact CG-CZ2 3.8Å; Y148-W244 AromaticContact CZ-CZ2 3.74Å
149R91.2Very high84.8Confident28 Ų2845 Ų4511%0.10623%0.227CC..EExtended strand (participates in β ladder)trans-122.3125.9169.9-177.1170.7-69178-6.7109.4V138 I139 K141 Y151 R205 Q206V138-R149 WeakPolarHBondContact CA-O 3.47Å; I139-R149 HydrophobicContact CG1-CB 3.96Å; I139-R149 PolarHBondContact N-O 3.34Å; I139-R149 PolarHBondContact O-N 2.88Å; K141-R149 HydrophobicContact CG-CB 4.28Å; R149-Y151 WeakPolarHBondContact CD-OH 3.33Å; R149-Y151 HydrophobicContact CG-CD2 4.42Å; R149-Y151 HydrophobicContact CG-CE1 4.26Å; R149-Y151 HydrophobicContact CG-CE2 3.94Å; R149-Y151 PolarHBondContact NH1-OH 2.84Å; R149-R205 WeakPolarHBondContact CA-O 3.25Å; R149-Q206 VanDerWaalsContact CZ-OE1 3.25Å
150L93.7Very high84.9Confident1 Ų144.6 Ų44.61%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-102.7127.4174178.9149.7000108.6T137 V138 S152 Y204 R205 V250 V251 L254T137-L150 CarbonylContact O-C 3.45Å; T137-L150 WeakPolarHBondContact O-CA 3.43Å; V138-L150 HydrophobicContact CG2-CB 4.26Å; V138-L150 HydrophobicContact CG2-CD1 3.9Å; V138-L150 HydrophobicContact CG2-CG 4.2Å; L150-S152 WeakPolarHBondContact CD2-OG 3.12Å; L150-Y204 CarbonylContact O-C 3.58Å; L150-Y204 WeakPolarHBondContact O-CA 3.14Å; L150-Y204 VanDerWaalsContact O-CB 3.3Å; L150-Y204 WeakPolarHBondContact O-CB 3.38Å; L150-R205 HydrophobicContact CB-CB 4.29Å; L150-R205 HydrophobicContact CD2-CB 4.49Å; L150-R205 PolarHBondContact N-O 3.07Å; L150-R205 PolarHBondContact O-N 2.9Å; L150-V250 HydrophobicContact CD1-CG1 3.45Å; L150-V250 VanDerWaalsContact CD1-CG1 3.45Å; L150-V251 HydrophobicContact CD1-CG2 4.19Å; L150-L254 HydrophobicContact CD2-CD2 3.67Å
151Y96.9Very high85Confident0 Ų041 Ų410%022%0.222CC..EExtended strand (participates in β ladder)trans-107138.9169.5-69-67.8000109.2L64 Q67 C68 I71 N72 S136 T137 I139 R149L64-Y151 HydrophobicContact CD2-CE1 4.49Å; Q67-Y151 HydrophobicContact CB-CE1 4.18Å; Q67-Y151 HydrophobicContact CB-CE2 4.3Å; Q67-Y151 VanDerWaalsContact CB-OH 3.26Å; Q67-Y151 WeakPolarHBondContact CB-OH 3.24Å; Q67-Y151 PolarHBondContact OE1-OH 3.43Å; C68-Y151 HydrophobicContact CB-CD1 3.44Å; C68-Y151 VanDerWaalsContact CB-CD1 3.44Å; C68-Y151 HydrophobicContact CB-CE1 3.92Å; C68-Y151 HydrophobicContact CB-CG 4.16Å; I71-Y151 HydrophobicContact CD1-CE2 4.16Å; N72-Y151 PolarHBondContact ND2-O 3.01Å; N72-Y151 PolarHBondContact OD1-O 3.45Å; S136-Y151 CarbonylContact C-O 3.55Å; S136-Y151 WeakPolarHBondContact CA-O 3.42Å; S136-Y151 WeakPolarHBondContact CB-O 3.48Å; T137-Y151 PolarHBondContact N-O 3.35Å; T137-Y151 PolarHBondContact O-N 3.26Å; I139-Y151 HydrophobicContact CD1-CE2 3.76Å; I139-Y151 HydrophobicContact CG1-CE2 4.24Å; R149-Y151 WeakPolarHBondContact CD-OH 3.33Å; R149-Y151 HydrophobicContact CG-CD2 4.42Å; R149-Y151 HydrophobicContact CG-CE1 4.26Å; R149-Y151 HydrophobicContact CG-CE2 3.94Å; R149-Y151 PolarHBondContact NH1-OH 2.84Å
152S96.6Very high85.6Confident0 Ų041.5 Ų41.50%023%0.225CC..EExtended strand (participates in β ladder)trans-132.4144.8178.8-64.90000111.1N72 M135 S136 L150 L202 A203N72-S152 VanDerWaalsContact ND2-CA 3.31Å; N72-S152 WeakPolarHBondContact ND2-CA 3.42Å; M135-S152 CarbonylContact O-C 3.58Å; M135-S152 WeakPolarHBondContact O-CA 3.44Å; S136-S152 WeakPolarHBondContact CB-OG 3.36Å; S136-S152 WeakPolarHBondContact OG-CB 2.89Å; S136-S152 PolarHBondContact OG-OG 3.37Å; L150-S152 WeakPolarHBondContact CD2-OG 3.12Å; S152-L202 WeakPolarHBondContact O-CA 3.2Å; S152-A203 PolarHBondContact N-O 3.48Å; S152-A203 PolarHBondContact O-N 3.07Å
153K96.5Very high86.8Confident18 Ų1834 Ų348%0.07819%0.192CC..EExtended strand (participates in β ladder)trans-139.4147169.977.1-172.7-177.2-159.50110.1N72 S73 E96 L99 S134 M135 I200 C201 L202N72-K153 PolarHBondContact ND2-N 3.49Å; N72-K153 WeakPolarHBondContact O-CD 3.34Å; N72-K153 WeakPolarHBondContact O-CE 3.19Å; N72-K153 PolarHBondContact O-NZ 3.23Å; S73-K153 PolarHBondContact OG-NZ 2.91Å; E96-K153 WeakPolarHBondContact OE1-CE 3.35Å; E96-K153 IonicContact OE1-NZ 3.37Å; E96-K153 PolarHBondContact OE1-NZ 2.97Å; L99-K153 HydrophobicContact CD1-CD 3.84Å; S134-K153 CarbonylContact C-O 3.39Å; S134-K153 WeakPolarHBondContact CA-O 3.3Å; S134-K153 WeakPolarHBondContact CB-O 3.43Å; M135-K153 HydrophobicContact CB-CG 4.33Å; M135-K153 PolarHBondContact N-O 3.49Å; M135-K153 PolarHBondContact O-N 2.94Å; K153-I200 HydrophobicContact CB-CG2 4.4Å; K153-C201 VanDerWaalsContact CA-O 3.24Å; K153-C201 WeakPolarHBondContact CA-O 3.45Å; K153-L202 HydrophobicContact CB-CD2 3.54Å
154G95.3Very high88.2Confident6 Ų634.8 Ų34.86%0.06219%0.191CC..EExtended strand (participates in β ladder)trans174.9-170178.300000113.7K133 S156 I200 C201K133-G154 WeakPolarHBondContact O-CA 3.37Å; G154-S156 PolarHBondContact O-N 3.07Å; G154-I200 WeakPolarHBondContact O-CA 3.33Å; G154-C201 PolarHBondContact N-O 3.21Å; G154-C201 VanDerWaalsContact N-O 3.12Å; G154-C201 PolarHBondContact O-N 3.16Å
155A94.3Very high90.1Very high31 Ų3129 Ų2926%0.25616%0.159SC..EExtended strand (participates in β ladder)trans-54.2130.1173.600000110.2K133 E157 I158 L159K133-A155 HydrophobicContact CB-CB 4.25Å; K133-A155 PolarHBondContact O-N 3.34Å; A155-E157 PolarHBondContact O-N 2.92Å; A155-I158 HydrophobicContact CB-CB 4.49Å; A155-I158 HydrophobicContact CB-CD1 4.15Å; A155-I158 HydrophobicContact CB-CG1 4.46Å; A155-I158 PolarHBondContact O-N 3.37Å; A155-L159 PolarHBondContact O-N 3.21Å; A155-L159 VanDerWaalsContact O-N 3.1Å
156S94.3Very high91.9Very high1 Ų127 Ų271%0.00715%0.15CC..Hα-helixtrans-59.3-46-167-60.90000113.1G154 I158 L159 L160 T199 I200 C201G154-S156 PolarHBondContact O-N 3.07Å; S156-I158 VanDerWaalsContact C-N 3.33Å; S156-I158 PolarHBondContact O-N 2.8Å; S156-L159 PolarHBondContact O-N 3.45Å; S156-L160 WeakPolarHBondContact O-CB 3.38Å; S156-L160 WeakPolarHBondContact O-CG 3.16Å; S156-L160 PolarHBondContact O-N 3.33Å; S156-T199 PolarHBondContact N-O 2.82Å; S156-T199 WeakPolarHBondContact OG-CB 3.39Å; S156-T199 PolarHBondContact OG-O 2.86Å; S156-I200 VanDerWaalsContact OG-C 3.22Å; S156-I200 WeakPolarHBondContact OG-CA 3.47Å; S156-I200 PolarHBondContact OG-N 3.26Å; S156-C201 PolarHBondContact OG-N 3.34Å
157E90.4Very high92.9Very high119 Ų11925.9 Ų25.956%0.55614%0.139SC*.Hα-helixtrans-59.8-41.3-179.3-63.6153.4-177.700112.5A155 G161 I189A155-E157 PolarHBondContact O-N 2.92Å; E157-G161 PolarHBondContact O-N 3.04Å; E157-I189 HydrophobicContact CG-CG2 4.49Å
158I92Very high93.3Very high56 Ų5625.8 Ų25.829%0.28714%0.137SC..Hα-helixtrans-72.1-44.7-176.8-66.1173000110.4K133 A155 S156 G161 K162K133-I158 HydrophobicContact CB-CD1 3.57Å; K133-I158 HydrophobicContact CD-CD1 3.32Å; K133-I158 HydrophobicContact CG-CD1 3.99Å; A155-I158 HydrophobicContact CB-CB 4.49Å; A155-I158 HydrophobicContact CB-CD1 4.15Å; A155-I158 HydrophobicContact CB-CG1 4.46Å; A155-I158 PolarHBondContact O-N 3.37Å; S156-I158 VanDerWaalsContact C-N 3.33Å; S156-I158 PolarHBondContact O-N 2.8Å; I158-G161 PolarHBondContact O-N 2.91Å; I158-K162 PolarHBondContact O-N 3.41Å
159L93.1Very high93.3Very high0 Ų027.2 Ų27.20%015%0.153CC..Hα-helixtrans-73.7-35.4-177.7-159.165.2000111.9A155 S156 G161 K162 C163 C201 A203 L254A155-L159 PolarHBondContact O-N 3.21Å; A155-L159 VanDerWaalsContact O-N 3.1Å; S156-L159 PolarHBondContact O-N 3.45Å; L159-G161 VanDerWaalsContact C-N 3.26Å; L159-G161 PolarHBondContact O-N 3.19Å; L159-K162 CarbonylContact O-C 3.59Å; L159-K162 PolarHBondContact O-N 3.31Å; L159-C163 PolarHBondContact O-N 3.16Å; L159-C163 VanDerWaalsContact O-N 3.1Å; L159-C163 PolarHBondContact O-SG 2.86Å; L159-C201 HydrophobicContact CB-CB 3.94Å; L159-C201 HydrophobicContact CD2-CB 3.98Å; L159-C201 VanDerWaalsContact CD2-O 3.27Å; L159-C201 WeakPolarHBondContact CD2-O 3.43Å; L159-C201 HydrophobicContact CG-CB 4.47Å; L159-A203 HydrophobicContact CD2-CB 3.77Å; L159-A203 HydrophobicContact CG-CB 4.1Å; L159-L254 HydrophobicContact CD1-CD1 3.49Å; L159-L254 VanDerWaalsContact CD1-CD1 3.49Å; L159-L254 HydrophobicContact CG-CD1 4.16Å
160L93.3Very high93.1Very high3 Ų331.1 Ų31.12%0.01618%0.175CC..Hα-helixtrans-61.9-34.9171.8-70.7178.2000112S156 K162 C163 F176 K181 I184 V185 I189 C256 L259S156-L160 WeakPolarHBondContact O-CB 3.38Å; S156-L160 WeakPolarHBondContact O-CG 3.16Å; S156-L160 PolarHBondContact O-N 3.33Å; L160-K162 PolarHBondContact O-N 3.25Å; L160-C163 PolarHBondContact O-N 3.16Å; L160-C163 VanDerWaalsContact O-N 3.12Å; L160-F176 HydrophobicContact CD2-CE1 3.57Å; L160-F176 HydrophobicContact CD2-CZ 3.92Å; L160-K181 VanDerWaalsContact O-CE 3.29Å; L160-K181 WeakPolarHBondContact O-CE 3.31Å; L160-K181 PolarHBondContact O-NZ 3.38Å; L160-K181 VanDerWaalsContact O-NZ 3.07Å; L160-I184 HydrophobicContact CD1-CG2 4.22Å; L160-V185 HydrophobicContact CD1-CG2 4.25Å; L160-I189 HydrophobicContact CD1-CD1 3.33Å; L160-C256 HydrophobicContact CD2-CB 4.31Å; L160-L259 HydrophobicContact CD1-CD1 4.47Å; L160-L259 HydrophobicContact CD1-CD2 4.31Å; L160-L259 HydrophobicContact CD2-CD2 4.18Å; L160-L259 HydrophobicContact CG-CD2 4.32Å
161G91.5Very high92.8Very high52 Ų5231.1 Ų31.154%0.53618%0.176SC..Hα-helixtrans-55.1-39.4170.800000112.6E157 I158 L159 K181E157-G161 PolarHBondContact O-N 3.04Å; I158-G161 PolarHBondContact O-N 2.91Å; L159-G161 VanDerWaalsContact C-N 3.26Å; L159-G161 PolarHBondContact O-N 3.19Å; G161-K181 PolarHBondContact O-NZ 3.38Å
162K92.7Very high92.4Very high51 Ų5133 Ų3322%0.22219%0.191CC..Hα-helixtrans-83-10.8178.6-62.8-178170-162.10114.5I158 L159 L160 V251 D253 L254I158-K162 PolarHBondContact O-N 3.41Å; L159-K162 CarbonylContact O-C 3.59Å; L159-K162 PolarHBondContact O-N 3.31Å; L160-K162 PolarHBondContact O-N 3.25Å; K162-V251 HydrophobicContact CD-CG1 4.1Å; K162-V251 WeakPolarHBondContact CD-O 3.5Å; K162-D253 PolarHBondContact O-N 3.07Å; K162-L254 HydrophobicContact CB-CD1 4Å; K162-L254 HydrophobicContact CB-CG 4.38Å; K162-L254 PolarHBondContact O-N 3.42Å
163C93.6Very high92Very high1 Ų133.7 Ų33.71%0.00720%0.197CC..EExtended strand (participates in β ladder)trans-83.6127.2179.7-66.90000111.4L159 L160 F176 K181 L254 C256L159-C163 PolarHBondContact O-N 3.16Å; L159-C163 VanDerWaalsContact O-N 3.1Å; L159-C163 PolarHBondContact O-SG 2.86Å; L160-C163 PolarHBondContact O-N 3.16Å; L160-C163 VanDerWaalsContact O-N 3.12Å; C163-F176 HydrophobicContact CB-CD1 3.94Å; C163-F176 HydrophobicContact CB-CE1 4.26Å; C163-K181 WeakPolarHBondContact O-CE 3.33Å; C163-K181 PolarHBondContact O-NZ 2.88Å; C163-L254 CarbonylContact C-O 3.58Å; C163-L254 WeakPolarHBondContact CA-O 3.18Å; C163-C256 HydrophobicContact CB-CB 4.29Å
164K92.5Very high91.8Very high102 Ų10235.7 Ų35.744%0.44321%0.207SC..EExtended strand (participates in β ladder)trans-98.4-17.1170.7-174.8174178.1-177.60112.2F176 D253 L254K164-F176 WeakPolarHBondContact O-CB 3.16Å; K164-F176 PolarHBondContact O-N 3.28Å; K164-D253 HydrophobicContact CB-CB 4.33Å; K164-D253 HydrophobicContact CD-CB 4.37Å; K164-D253 WeakPolarHBondContact CD-OD1 3.34Å; K164-L254 PolarHBondContact N-O 3.41Å
165F93.9Very high91.6Very high15 Ų1539.6 Ų39.67%0.06623%0.229CC..EExtended strand (participates in β ladder)trans-131.8160.8-178.5-53.1-85.4000111.4A173 Q174 V175 T233 N234 L254 T255 C256F165-A173 HydrophobicContact CB-CB 4.37Å; F165-Q174 CarbonylContact C-O 3.55Å; F165-Q174 WeakPolarHBondContact CA-O 3.32Å; F165-Q174 WeakPolarHBondContact CB-O 3.36Å; F165-V175 HydrophobicContact CE1-CG2 4.31Å; F165-T233 WeakPolarHBondContact CE1-O 3.33Å; F165-T233 WeakPolarHBondContact CZ-O 3.38Å; F165-N234 HydrophobicContact CB-CB 4.22Å; F165-N234 HydrophobicContact CD1-CB 4.05Å; F165-N234 HydrophobicContact CD2-CB 3.63Å; F165-N234 HydrophobicContact CE1-CB 4.32Å; F165-N234 HydrophobicContact CE2-CB 3.93Å; F165-N234 HydrophobicContact CG-CB 3.69Å; F165-N234 HydrophobicContact CZ-CB 4.27Å; F165-L254 PolarHBondContact N-O 3.28Å; F165-L254 VanDerWaalsContact N-O 3.15Å; F165-T255 HydrophobicContact CB-CG2 3.91Å; F165-T255 CarbonylContact O-C 3.55Å; F165-T255 WeakPolarHBondContact O-CA 3.16Å; F165-C256 PolarHBondContact O-N 3.22Å
166I94.2Very high91.3Very high7 Ų738.5 Ų38.54%0.03622%0.219CC..EExtended strand (participates in β ladder)trans-138.4142.8172.6-174166.4000108.9Y42 G168 Q174 F176 I184 C256Y42-I166 HydrophobicContact CE1-CD1 4.38Å; I166-G168 PolarHBondContact O-N 3.01Å; I166-Q174 HydrophobicContact CG2-CB 4.47Å; I166-Q174 PolarHBondContact N-O 3.48Å; I166-Q174 PolarHBondContact O-N 2.95Å; I166-F176 HydrophobicContact CB-CB 4.2Å; I166-F176 HydrophobicContact CB-CD1 4.17Å; I166-F176 HydrophobicContact CB-CD2 4.17Å; I166-F176 HydrophobicContact CB-CG 3.95Å; I166-F176 HydrophobicContact CD1-CE2 4.22Å; I166-F176 HydrophobicContact CD1-CZ 4.25Å; I166-F176 HydrophobicContact CG2-CB 4.02Å; I166-F176 HydrophobicContact CG2-CD2 3.87Å; I166-F176 HydrophobicContact CG2-CG 3.97Å; I166-I184 HydrophobicContact CD1-CD1 3.59Å; I166-C256 HydrophobicContact CB-CB 4.25Å; I166-C256 HydrophobicContact CG1-CB 4.05Å
167L93.4Very high91.2Very high2 Ų246.6 Ų46.61%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-73.7124.3174.5-61.6179000110.7I61 L64 A173 Y204 T255 C256 I257I61-L167 HydrophobicContact CD1-CB 4.27Å; I61-L167 HydrophobicContact CG1-CB 4.29Å; I61-L167 HydrophobicContact CG1-CD1 4.08Å; I61-L167 HydrophobicContact CG2-CD1 4.31Å; L64-L167 HydrophobicContact CD1-CD1 3.87Å; L167-A173 HydrophobicContact CD2-CB 4.39Å; L167-Y204 HydrophobicContact CD1-CE1 4.19Å; L167-Y204 HydrophobicContact CD2-CE1 4.22Å; L167-Y204 HydrophobicContact CG-CE1 4.42Å; L167-T255 HydrophobicContact CD2-CG2 3.76Å; L167-T255 HydrophobicContact CG-CG2 3.98Å; L167-C256 PolarHBondContact N-O 2.88Å; L167-I257 HydrophobicContact CD1-CB 4.41Å; L167-I257 HydrophobicContact CD1-CG1 4.32Å; L167-I257 HydrophobicContact CD1-CG2 4.23Å
168G90.6Very high91.2Very high0 Ų046.3 Ų46.30%025%0.248CC..  trans-76178.9174.300000113.4I61 I166 D170 G171 A172I61-G168 VanDerWaalsContact CD1-O 3.31Å; I61-G168 WeakPolarHBondContact CD1-O 3.38Å; I166-G168 PolarHBondContact O-N 3.01Å; G168-D170 PolarHBondContact O-N 3.35Å; G168-G171 PolarHBondContact O-N 2.95Å; G168-A172 PolarHBondContact N-O 2.84Å
169P89Confident91.1Very high79 Ų7951 Ų5151%0.51327%0.268SS..THydrogen-bonded Turntrans-60.8-23.7178.3-21.132.1000114.4G44 R45 P58G44-P169 WeakPolarHBondContact O-CA 3.48Å; R45-P169 HydrophobicContact CB-CG 4.42Å; P58-P169 WeakPolarHBondContact CG-O 3.34Å
170D87.7Confident91.1Very high109 Ų10952.8 Ų52.858%0.58328%0.278SS*.THydrogen-bonded Turntrans-87.5-4.7176.960.3-14.1000113.2G168 A172G168-D170 PolarHBondContact O-N 3.35Å; D170-A172 VanDerWaalsContact C-N 3.26Å; D170-A172 PolarHBondContact O-N 3.43Å; D170-A172 WeakPolarHBondContact OD1-CB 3.44Å; D170-A172 PolarHBondContact OD1-N 2.83Å; D170-A172 VanDerWaalsContact OD2-CB 3.27Å; D170-A172 WeakPolarHBondContact OD2-CB 3.47Å
171G86.4Confident91Very high1 Ų153.7 Ų53.71%0.0128%0.282CS..SBendtrans77.94.8-172.100000114.5K60 G168K60-G171 WeakPolarHBondContact CD-O 3.41Å; G168-G171 PolarHBondContact O-N 2.95Å
172A89Confident91.1Very high39 Ų3954.4 Ų54.432%0.32227%0.273SS..  trans-79145.1173.200000110.9G168 D170 Q174G168-A172 PolarHBondContact N-O 2.84Å; D170-A172 VanDerWaalsContact C-N 3.26Å; D170-A172 PolarHBondContact O-N 3.43Å; D170-A172 WeakPolarHBondContact OD1-CB 3.44Å; D170-A172 PolarHBondContact OD1-N 2.83Å; D170-A172 VanDerWaalsContact OD2-CB 3.27Å; D170-A172 WeakPolarHBondContact OD2-CB 3.47Å; A172-Q174 PolarHBondContact O-N 3.25Å
173A89.3Confident91.1Very high15 Ų1556.6 Ų56.612%0.12428%0.284CS..EExtended strand (participates in β ladder)trans-78120.8176.200000110.3F165 L167 N234 T255F165-A173 HydrophobicContact CB-CB 4.37Å; L167-A173 HydrophobicContact CD2-CB 4.39Å; A173-N234 HydrophobicContact CB-CB 3.66Å; A173-N234 VanDerWaalsContact CB-CG 3.42Å; A173-T255 HydrophobicContact CB-CG2 4.28Å
174Q91Very high91.1Very high61 Ų6157.2 Ų57.229%0.28529%0.287SS..EExtended strand (participates in β ladder)trans-106.3147.1177.7-61.9176.4-1.500109.7R45 F165 I166 A172 F176R45-Q174 VanDerWaalsContact CZ-OE1 3.27Å; F165-Q174 CarbonylContact C-O 3.55Å; F165-Q174 WeakPolarHBondContact CA-O 3.32Å; F165-Q174 WeakPolarHBondContact CB-O 3.36Å; I166-Q174 HydrophobicContact CG2-CB 4.47Å; I166-Q174 PolarHBondContact N-O 3.48Å; I166-Q174 PolarHBondContact O-N 2.95Å; A172-Q174 PolarHBondContact O-N 3.25Å; Q174-F176 PolarHBondContact O-N 3.39Å
175V90.6Very high91.2Very high88 Ų8853.9 Ų53.953%0.53328%0.275SS..EExtended strand (participates in β ladder)trans-60.6127.7174.4178.80000108.8F165 R177F165-V175 HydrophobicContact CE1-CG2 4.31Å; V175-R177 HydrophobicContact CG1-CG 4.21Å
176F89.8Confident91.2Very high8 Ų861.7 Ų61.74%0.03530%0.304CS..  trans-105.790-176-168.6-154.7000109.5L160 C163 K164 I166 Q174 D180 K181 I184 C256L160-F176 HydrophobicContact CD2-CE1 3.57Å; L160-F176 HydrophobicContact CD2-CZ 3.92Å; C163-F176 HydrophobicContact CB-CD1 3.94Å; C163-F176 HydrophobicContact CB-CE1 4.26Å; K164-F176 WeakPolarHBondContact O-CB 3.16Å; K164-F176 PolarHBondContact O-N 3.28Å; I166-F176 HydrophobicContact CB-CB 4.2Å; I166-F176 HydrophobicContact CB-CD1 4.17Å; I166-F176 HydrophobicContact CB-CD2 4.17Å; I166-F176 HydrophobicContact CB-CG 3.95Å; I166-F176 HydrophobicContact CD1-CE2 4.22Å; I166-F176 HydrophobicContact CD1-CZ 4.25Å; I166-F176 HydrophobicContact CG2-CB 4.02Å; I166-F176 HydrophobicContact CG2-CD2 3.87Å; I166-F176 HydrophobicContact CG2-CG 3.97Å; Q174-F176 PolarHBondContact O-N 3.39Å; F176-D180 HydrophobicContact CD2-CB 3.58Å; F176-D180 HydrophobicContact CE2-CB 3.65Å; F176-K181 HydrophobicContact CD1-CG 3.86Å; F176-K181 HydrophobicContact CD2-CG 4.03Å; F176-K181 HydrophobicContact CE1-CD 4.42Å; F176-K181 HydrophobicContact CE1-CG 3.54Å; F176-K181 HydrophobicContact CE2-CB 4.32Å; F176-K181 HydrophobicContact CE2-CG 3.71Å; F176-K181 HydrophobicContact CG-CG 4.09Å; F176-K181 HydrophobicContact CZ-CB 4.1Å; F176-K181 HydrophobicContact CZ-CG 3.45Å; F176-K181 VanDerWaalsContact CZ-CG 3.45Å; F176-I184 HydrophobicContact CE2-CD1 3.65Å; F176-I184 HydrophobicContact CZ-CD1 3.75Å; F176-C256 HydrophobicContact CE1-CB 4.5Å
177R91.4Very high91.2Very high170 Ų17069.5 Ų69.564%0.64233%0.334SS*.  trans-72161.4-175.4-59.6176.8177.1168.10.1110.1V175 Q179 D180 K181V175-R177 HydrophobicContact CG1-CG 4.21Å; R177-Q179 PolarHBondContact O-N 3.22Å; R177-D180 WeakPolarHBondContact CB-OD2 3.26Å; R177-D180 PolarHBondContact N-OD2 2.77Å; R177-D180 VanDerWaalsContact N-OD2 3.08Å; R177-D180 WeakPolarHBondContact O-CB 3.25Å; R177-D180 PolarHBondContact O-N 3.39Å; R177-D180 VanDerWaalsContact O-N 3.11Å; R177-K181 PolarHBondContact O-N 3.36Å; R177-K181 VanDerWaalsContact O-N 3.1Å
178Q90.5Very high91.2Very high113 Ų11369.9 Ų69.953%0.52834%0.335SS..Hα-helixtrans-58.3-38.1178.5-169.559.53700112.4D180 K181 D182Q178-D180 PolarHBondContact O-N 3.06Å; Q178-K181 WeakPolarHBondContact O-CB 3.42Å; Q178-K181 PolarHBondContact O-N 2.99Å; Q178-D182 PolarHBondContact NE2-OD1 3.35Å; Q178-D182 PolarHBondContact O-N 2.98Å
179Q91Very high91.3Very high154 Ų15469.9 Ų69.972%0.7234%0.336SS*.Hα-helixtrans-60.3-42.6175.7-69176.9-11.300112.6R177 K181 D182 E183R177-Q179 PolarHBondContact O-N 3.22Å; Q179-K181 VanDerWaalsContact C-N 3.32Å; Q179-K181 PolarHBondContact O-N 3.49Å; Q179-D182 PolarHBondContact O-N 2.87Å; Q179-E183 PolarHBondContact O-N 3.5Å
180D91.2Very high91.5Very high38 Ų3870.8 Ų70.820%0.20333%0.333CS..Hα-helixtrans-65.4-37.6177.2-58.5-58.3000111F176 R177 Q178 I184F176-D180 HydrophobicContact CD2-CB 3.58Å; F176-D180 HydrophobicContact CE2-CB 3.65Å; R177-D180 WeakPolarHBondContact CB-OD2 3.26Å; R177-D180 PolarHBondContact N-OD2 2.77Å; R177-D180 VanDerWaalsContact N-OD2 3.08Å; R177-D180 WeakPolarHBondContact O-CB 3.25Å; R177-D180 PolarHBondContact O-N 3.39Å; R177-D180 VanDerWaalsContact O-N 3.11Å; Q178-D180 PolarHBondContact O-N 3.06Å; D180-I184 WeakPolarHBondContact O-CG1 3.32Å; D180-I184 PolarHBondContact O-N 3.17Å
181K92.6Very high91.7Very high22 Ų2268.1 Ų68.110%0.09632%0.322CS..Hα-helixtrans-62.6-49.4176-66.6176.2-176.6-167.80110.9L160 G161 C163 F176 R177 Q178 Q179 E183 I184 V185L160-K181 VanDerWaalsContact O-CE 3.29Å; L160-K181 WeakPolarHBondContact O-CE 3.31Å; L160-K181 PolarHBondContact O-NZ 3.38Å; L160-K181 VanDerWaalsContact O-NZ 3.07Å; G161-K181 PolarHBondContact O-NZ 3.38Å; C163-K181 WeakPolarHBondContact O-CE 3.33Å; C163-K181 PolarHBondContact O-NZ 2.88Å; F176-K181 HydrophobicContact CD1-CG 3.86Å; F176-K181 HydrophobicContact CD2-CG 4.03Å; F176-K181 HydrophobicContact CE1-CD 4.42Å; F176-K181 HydrophobicContact CE1-CG 3.54Å; F176-K181 HydrophobicContact CE2-CB 4.32Å; F176-K181 HydrophobicContact CE2-CG 3.71Å; F176-K181 HydrophobicContact CG-CG 4.09Å; F176-K181 HydrophobicContact CZ-CB 4.1Å; F176-K181 HydrophobicContact CZ-CG 3.45Å; F176-K181 VanDerWaalsContact CZ-CG 3.45Å; R177-K181 PolarHBondContact O-N 3.36Å; R177-K181 VanDerWaalsContact O-N 3.1Å; Q178-K181 WeakPolarHBondContact O-CB 3.42Å; Q178-K181 PolarHBondContact O-N 2.99Å; Q179-K181 VanDerWaalsContact C-N 3.32Å; Q179-K181 PolarHBondContact O-N 3.49Å; K181-E183 VanDerWaalsContact C-N 3.3Å; K181-E183 PolarHBondContact O-N 3.06Å; K181-I184 PolarHBondContact O-N 3.13Å; K181-V185 VanDerWaalsContact O-CG2 3.32Å; K181-V185 WeakPolarHBondContact O-CG2 3.47Å; K181-V185 PolarHBondContact O-N 3.23Å
182D93.1Very high92Very high67 Ų6768.3 Ų68.336%0.35832%0.322SS..Hα-helixtrans-64.3-37.4-178.9-60.5-20.6000110.9Q178 Q179 V185 R186Q178-D182 PolarHBondContact NE2-OD1 3.35Å; Q178-D182 PolarHBondContact O-N 2.98Å; Q179-D182 PolarHBondContact O-N 2.87Å; D182-V185 PolarHBondContact O-N 3.26Å; D182-R186 WeakPolarHBondContact O-CG 3.17Å; D182-R186 PolarHBondContact O-N 3.48Å
183E93Very high92Very high98 Ų9868.2 Ų68.246%0.45832%0.322SS..Hα-helixtrans-62.7-47.8173.1-170.4-169.8158.600111.5Q179 K181 V185 R186 R187Q179-E183 PolarHBondContact O-N 3.5Å; K181-E183 VanDerWaalsContact C-N 3.3Å; K181-E183 PolarHBondContact O-N 3.06Å; E183-V185 VanDerWaalsContact C-N 3.31Å; E183-V185 PolarHBondContact O-N 3.08Å; E183-R186 PolarHBondContact O-N 3.47Å; E183-R187 WeakPolarHBondContact O-CB 3.46Å; E183-R187 PolarHBondContact O-N 2.92Å; E183-R187 IonicContact OE1-NH1 2.72Å
184I93.4Very high91.9Very high13 Ų1371.8 Ų71.87%0.06735%0.345CS..Hα-helixtrans-62.9-39.4178.7-73.4179.1000111.1Y42 L160 I166 F176 D180 K181 I188 I189 L259Y42-I184 HydrophobicContact CE1-CD1 3.86Å; Y42-I184 HydrophobicContact CE1-CG1 4.37Å; L160-I184 HydrophobicContact CD1-CG2 4.22Å; I166-I184 HydrophobicContact CD1-CD1 3.59Å; F176-I184 HydrophobicContact CE2-CD1 3.65Å; F176-I184 HydrophobicContact CZ-CD1 3.75Å; D180-I184 WeakPolarHBondContact O-CG1 3.32Å; D180-I184 PolarHBondContact O-N 3.17Å; K181-I184 PolarHBondContact O-N 3.13Å; I184-I188 HydrophobicContact CG2-CB 4.36Å; I184-I188 HydrophobicContact CG2-CG1 4.41Å; I184-I188 WeakPolarHBondContact O-CA 3.23Å; I184-I188 VanDerWaalsContact O-CB 3.26Å; I184-I188 WeakPolarHBondContact O-CB 3.46Å; I184-I188 PolarHBondContact O-N 3.19Å; I184-I189 PolarHBondContact O-N 2.84Å; I184-L259 HydrophobicContact CG2-CD1 3.42Å; I184-L259 VanDerWaalsContact CG2-CD1 3.42Å
185V93.7Very high91.7Very high32 Ų3272 Ų7219%0.19435%0.348CS..Iπ-helixtrans-59.1-52.5175.4170.70000110.2L160 K181 D182 E183 I189 E190L160-V185 HydrophobicContact CD1-CG2 4.25Å; K181-V185 VanDerWaalsContact O-CG2 3.32Å; K181-V185 WeakPolarHBondContact O-CG2 3.47Å; K181-V185 PolarHBondContact O-N 3.23Å; D182-V185 PolarHBondContact O-N 3.26Å; E183-V185 VanDerWaalsContact C-N 3.31Å; E183-V185 PolarHBondContact O-N 3.08Å; V185-I189 HydrophobicContact CG2-CD1 4Å; V185-I189 PolarHBondContact O-N 2.85Å; V185-E190 HydrophobicContact CG1-CG 4.41Å; V185-E190 PolarHBondContact O-N 2.87Å
186R93.8Very high91.5Very high179 Ų17968.2 Ų68.268%0.67533%0.327SS*.Iπ-helixtrans-67.8-39.3-178.6-70.8177.7-177165.53.4114.2D182 E183 P191D182-R186 WeakPolarHBondContact O-CG 3.17Å; D182-R186 PolarHBondContact O-N 3.48Å; E183-R186 PolarHBondContact O-N 3.47Å; R186-P191 VanDerWaalsContact O-CD 3.29Å; R186-P191 WeakPolarHBondContact O-CD 3.45Å
187R94.1Very high91.6Very high172 Ų17268.3 Ų68.365%0.64933%0.327SS*.Iπ-helixtrans-88.8-29-171.9-172.2177.6173.8-170.9-1.6113.3E183 P191E183-R187 WeakPolarHBondContact O-CB 3.46Å; E183-R187 PolarHBondContact O-N 2.92Å; E183-R187 IonicContact OE1-NH1 2.72Å; R187-P191 WeakPolarHBondContact O-CG 3.36Å
188I94Very high91.7Very high9 Ų966 Ų665%0.04632%0.318CS..Iπ-helixtrans-117.9-55.2-171.7-50.5-62.8000111Y42 L47 I184 M192 L259Y42-I188 HydrophobicContact CD2-CD1 3.9Å; Y42-I188 HydrophobicContact CD2-CG1 4.09Å; Y42-I188 HydrophobicContact CD2-CG2 4.33Å; Y42-I188 HydrophobicContact CE2-CD1 3.94Å; Y42-I188 HydrophobicContact CE2-CG1 4.1Å; Y42-I188 HydrophobicContact CG-CG1 4.48Å; Y42-I188 HydrophobicContact CG-CG2 4.18Å; L47-I188 HydrophobicContact CB-CD1 4.36Å; L47-I188 HydrophobicContact CD1-CG2 4.32Å; L47-I188 HydrophobicContact CD2-CD1 4.13Å; I184-I188 HydrophobicContact CG2-CB 4.36Å; I184-I188 HydrophobicContact CG2-CG1 4.41Å; I184-I188 WeakPolarHBondContact O-CA 3.23Å; I184-I188 VanDerWaalsContact O-CB 3.26Å; I184-I188 WeakPolarHBondContact O-CB 3.46Å; I184-I188 PolarHBondContact O-N 3.19Å; I188-M192 HydrophobicContact CG2-CE 3.7Å; I188-M192 HydrophobicContact CG2-SD 4.26Å; I188-M192 WeakPolarHBondContact O-CB 3.18Å; I188-M192 WeakPolarHBondContact O-CG 3.38Å; I188-M192 PolarHBondContact O-N 3.43Å; I188-L259 HydrophobicContact CG2-CD1 4.29Å
189I93.4Very high91.9Very high1 Ų161.7 Ų61.71%0.00530%0.3CS..Iπ-helixtrans-71.9-49.3-172.4-63.8172.2000111.4E157 L160 I184 V185 M192 A193 T199 L259E157-I189 HydrophobicContact CG-CG2 4.49Å; L160-I189 HydrophobicContact CD1-CD1 3.33Å; I184-I189 PolarHBondContact O-N 2.84Å; V185-I189 HydrophobicContact CG2-CD1 4Å; V185-I189 PolarHBondContact O-N 2.85Å; I189-M192 PolarHBondContact O-N 3.05Å; I189-A193 WeakPolarHBondContact O-CB 3.39Å; I189-A193 PolarHBondContact O-N 3.15Å; I189-T199 HydrophobicContact CG2-CG2 4.18Å; I189-L259 HydrophobicContact CD1-CD1 4.09Å; I189-L259 HydrophobicContact CD1-CD2 4.5Å; I189-L259 HydrophobicContact CG1-CD1 3.95Å
190E92.8Very high92.2Very high98 Ų9855.2 Ų55.246%0.45827%0.27SS..Hα-helixtrans-58.1-49.4-179.9-78.8174.3-168.100111.7V185 M192 A193 C194V185-E190 HydrophobicContact CG1-CG 4.41Å; V185-E190 PolarHBondContact O-N 2.87Å; E190-M192 PolarHBondContact O-N 2.84Å; E190-A193 PolarHBondContact O-N 3.45Å; E190-C194 WeakPolarHBondContact O-CB 3.38Å; E190-C194 PolarHBondContact O-N 2.98Å; E190-C194 PolarHBondContact O-SG 2.91Å
191P92.1Very high92.5Very high53 Ų5353.4 Ų53.434%0.34426%0.261SS..Hα-helixtrans-61-41.2174.8-28.638000113.8R186 R187 A193 C194 D195R186-P191 VanDerWaalsContact O-CD 3.29Å; R186-P191 WeakPolarHBondContact O-CD 3.45Å; R187-P191 WeakPolarHBondContact O-CG 3.36Å; P191-A193 VanDerWaalsContact C-N 3.33Å; P191-A193 PolarHBondContact O-N 3.47Å; P191-C194 PolarHBondContact O-N 2.95Å; P191-D195 PolarHBondContact O-N 3.4Å
192M92.6Very high92.7Very high4 Ų452.4 Ų52.42%0.0226%0.256CS..Hα-helixtrans-61.9-41.7174.7-74.7-173.6-175.500111.9R40 L47 I188 I189 E190 D195 G196 L197 T199R40-M192 HydrophobicContact CB-CE 3.63Å; R40-M192 HydrophobicContact CB-SD 4.39Å; L47-M192 HydrophobicContact CD1-CE 3.34Å; I188-M192 HydrophobicContact CG2-CE 3.7Å; I188-M192 HydrophobicContact CG2-SD 4.26Å; I188-M192 WeakPolarHBondContact O-CB 3.18Å; I188-M192 WeakPolarHBondContact O-CG 3.38Å; I188-M192 PolarHBondContact O-N 3.43Å; I189-M192 PolarHBondContact O-N 3.05Å; E190-M192 PolarHBondContact O-N 2.84Å; M192-D195 PolarHBondContact O-N 3.39Å; M192-G196 PolarHBondContact O-N 3.18Å; M192-L197 HydrophobicContact CB-CB 4.27Å; M192-L197 HydrophobicContact CB-CD1 3.96Å; M192-L197 HydrophobicContact CB-CG 4.48Å; M192-L197 HydrophobicContact CG-CD1 3.94Å; M192-L197 WeakPolarHBondContact O-CB 3.49Å; M192-L197 VanDerWaalsContact O-CG 3.28Å; M192-L197 WeakPolarHBondContact O-CG 3.35Å; M192-L197 PolarHBondContact O-N 3.49Å; M192-T199 HydrophobicContact CB-CG2 3.52Å; M192-T199 HydrophobicContact SD-CG2 4.26Å
193A88.2Confident92.9Very high38 Ų3849.2 Ų49.231%0.31424%0.239SC..Hα-helixtrans-69.2-37.8178.900000112.1I189 E190 P191 D195 G196I189-A193 WeakPolarHBondContact O-CB 3.39Å; I189-A193 PolarHBondContact O-N 3.15Å; E190-A193 PolarHBondContact O-N 3.45Å; P191-A193 VanDerWaalsContact C-N 3.33Å; P191-A193 PolarHBondContact O-N 3.47Å; A193-D195 VanDerWaalsContact C-N 3.3Å; A193-D195 PolarHBondContact O-N 3.29Å; A193-G196 WeakPolarHBondContact O-CA 3.47Å; A193-G196 PolarHBondContact O-N 3.45Å
194C87.3Confident93Very high90 Ų9044.8 Ų44.861%0.60822%0.218SC*.Hα-helixtrans-62.2-37.1172.8-75.10000112E190 P191 G196E190-C194 WeakPolarHBondContact O-CB 3.38Å; E190-C194 PolarHBondContact O-N 2.98Å; E190-C194 PolarHBondContact O-SG 2.91Å; P191-C194 PolarHBondContact O-N 2.95Å; C194-G196 PolarHBondContact O-N 3.49Å
195D87.9Confident92.9Very high65 Ų6545.2 Ų45.235%0.34822%0.219SC..THydrogen-bonded Turntrans-745.2172.6-69.8-19.2000113R40 P191 M192 A193 L197 A297R40-D195 IonicContact CZ-OD2 3.81Å; R40-D195 IonicContact NH1-OD2 3.42Å; R40-D195 PolarHBondContact NH1-OD2 3.42Å; R40-D195 IonicContact NH2-OD2 3.72Å; R40-D195 PolarHBondContact NH2-OD2 3.15Å; P191-D195 PolarHBondContact O-N 3.4Å; M192-D195 PolarHBondContact O-N 3.39Å; A193-D195 VanDerWaalsContact C-N 3.3Å; A193-D195 PolarHBondContact O-N 3.29Å; D195-L197 VanDerWaalsContact C-N 3.29Å; D195-L197 HydrophobicContact CB-CG 4.19Å; D195-L197 PolarHBondContact O-N 3.35Å; D195-A297 WeakPolarHBondContact O-CB 3.07Å
196G85.8Confident92.6Very high9 Ų944 Ų449%0.09321%0.211CC..THydrogen-bonded Turntrans78.69.3177.300000114.6M192 A193 C194 T294M192-G196 PolarHBondContact O-N 3.18Å; A193-G196 WeakPolarHBondContact O-CA 3.47Å; A193-G196 PolarHBondContact O-N 3.45Å; C194-G196 PolarHBondContact O-N 3.49Å; G196-T294 PolarHBondContact O-OG1 3.41Å; G196-T294 VanDerWaalsContact O-OG1 3.13Å
197L92.4Very high91.9Very high9 Ų935.7 Ų35.75%0.04718%0.18CC..  trans-76138.3179.3-47.6-178.5000110.6V39 R40 M192 D195 T199 Q263V39-L197 HydrophobicContact CG2-CD1 4.22Å; V39-L197 HydrophobicContact CG2-CD2 3.68Å; R40-L197 HydrophobicContact CB-CD1 4.32Å; R40-L197 HydrophobicContact CG-CD1 3.94Å; M192-L197 HydrophobicContact CB-CB 4.27Å; M192-L197 HydrophobicContact CB-CD1 3.96Å; M192-L197 HydrophobicContact CB-CG 4.48Å; M192-L197 HydrophobicContact CG-CD1 3.94Å; M192-L197 WeakPolarHBondContact O-CB 3.49Å; M192-L197 VanDerWaalsContact O-CG 3.28Å; M192-L197 WeakPolarHBondContact O-CG 3.35Å; M192-L197 PolarHBondContact O-N 3.49Å; D195-L197 VanDerWaalsContact C-N 3.29Å; D195-L197 HydrophobicContact CB-CG 4.19Å; D195-L197 PolarHBondContact O-N 3.35Å; L197-T199 PolarHBondContact O-N 3.45Å; L197-Q263 HydrophobicContact CD2-CB 3.71Å; L197-Q263 HydrophobicContact CD2-CG 4.14Å
198R92.7Very high90.9Very high121 Ų12129.3 Ų29.346%0.45716%0.156SC..EExtended strand (participates in β ladder)trans-75.8109.8166.9-177.6177.9-62.5177.32.1108.9M36 T95 I200 I262M36-R198 HydrophobicContact CE-CB 4.4Å; T95-R198 PolarHBondContact OG1-NH1 2.85Å; R198-I200 HydrophobicContact CG-CD1 4.19Å; R198-I200 HydrophobicContact CG-CG1 4.34Å; R198-I262 HydrophobicContact CB-CB 4.31Å; R198-I262 WeakPolarHBondContact CB-O 3.36Å; R198-I262 PolarHBondContact N-O 3.37Å; R198-I262 PolarHBondContact O-N 2.91Å
199T94.8Very high89.5Confident23 Ų2330 Ų3014%0.14116%0.161CC..EExtended strand (participates in β ladder)trans-87114.9-178.156.50000111.4S156 I189 M192 L197 V260S156-T199 PolarHBondContact N-O 2.82Å; S156-T199 WeakPolarHBondContact OG-CB 3.39Å; S156-T199 PolarHBondContact OG-O 2.86Å; I189-T199 HydrophobicContact CG2-CG2 4.18Å; M192-T199 HydrophobicContact CB-CG2 3.52Å; M192-T199 HydrophobicContact SD-CG2 4.26Å; L197-T199 PolarHBondContact O-N 3.45Å; T199-V260 CarbonylContact C-O 3.52Å; T199-V260 WeakPolarHBondContact CA-O 3.36Å
200I96.4Very high87.8Confident19 Ų1930.5 Ų30.510%0.09717%0.165CC..EExtended strand (participates in β ladder)trans-114.9132.6177.1-59.3-61.1000110T95 K153 G154 S156 R198 L259 V260 I262T95-I200 HydrophobicContact CG2-CD1 4.13Å; T95-I200 HydrophobicContact CG2-CG1 3.9Å; K153-I200 HydrophobicContact CB-CG2 4.4Å; G154-I200 WeakPolarHBondContact O-CA 3.33Å; S156-I200 VanDerWaalsContact OG-C 3.22Å; S156-I200 WeakPolarHBondContact OG-CA 3.47Å; S156-I200 PolarHBondContact OG-N 3.26Å; R198-I200 HydrophobicContact CG-CD1 4.19Å; R198-I200 HydrophobicContact CG-CG1 4.34Å; I200-L259 CarbonylContact O-C 3.59Å; I200-L259 WeakPolarHBondContact O-CA 3.44Å; I200-V260 HydrophobicContact CB-CG2 3.84Å; I200-V260 HydrophobicContact CG2-CG2 4.46Å; I200-V260 PolarHBondContact N-O 3.41Å; I200-V260 PolarHBondContact O-N 3.11Å; I200-I262 HydrophobicContact CB-CD1 4.36Å; I200-I262 HydrophobicContact CG1-CD1 3.81Å
201C97.6Very high86Confident0 Ų033.2 Ų33.20%018%0.175CC..EExtended strand (participates in β ladder)trans-97139.6170.8179.30000109.8K153 G154 S156 L159 L259K153-C201 VanDerWaalsContact CA-O 3.24Å; K153-C201 WeakPolarHBondContact CA-O 3.45Å; G154-C201 PolarHBondContact N-O 3.21Å; G154-C201 VanDerWaalsContact N-O 3.12Å; G154-C201 PolarHBondContact O-N 3.16Å; S156-C201 PolarHBondContact OG-N 3.34Å; L159-C201 HydrophobicContact CB-CB 3.94Å; L159-C201 HydrophobicContact CD2-CB 3.98Å; L159-C201 VanDerWaalsContact CD2-O 3.27Å; L159-C201 WeakPolarHBondContact CD2-O 3.43Å; L159-C201 HydrophobicContact CG-CB 4.47Å; C201-L259 HydrophobicContact CB-CD2 3.45Å; C201-L259 VanDerWaalsContact CB-CD2 3.45Å
202L97.8Very high84Confident1 Ų135.8 Ų35.81%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-113.4128172.2-61.7172.1000108.1L65 L99 S152 K153 I257 A258L65-L202 HydrophobicContact CD1-CD1 3.44Å; L65-L202 VanDerWaalsContact CD1-CD1 3.44Å; L99-L202 HydrophobicContact CD1-CD2 4.04Å; L99-L202 HydrophobicContact CD2-CD1 4.23Å; S152-L202 WeakPolarHBondContact O-CA 3.2Å; K153-L202 HydrophobicContact CB-CD2 3.54Å; L202-I257 HydrophobicContact CB-CB 4.43Å; L202-I257 WeakPolarHBondContact O-CA 3.4Å; L202-I257 WeakPolarHBondContact O-CB 3.36Å; L202-I257 PolarHBondContact O-N 2.9Å; L202-A258 PolarHBondContact N-O 3.22Å; L202-A258 PolarHBondContact O-N 3.43Å
203A96.9Very high81.9Confident0 Ų037.8 Ų37.80%020%0.2CC..EExtended strand (participates in β ladder)trans-140.6161.5-178.200000110.9S152 L159 L254 T255S152-A203 PolarHBondContact N-O 3.48Å; S152-A203 PolarHBondContact O-N 3.07Å; L159-A203 HydrophobicContact CD2-CB 3.77Å; L159-A203 HydrophobicContact CG-CB 4.1Å; A203-L254 HydrophobicContact CB-CB 4.02Å; A203-L254 HydrophobicContact CB-CD1 4.13Å; A203-T255 CarbonylContact C-O 3.58Å; A203-T255 WeakPolarHBondContact CA-O 3.47Å; A203-T255 WeakPolarHBondContact CB-O 2.95Å
204Y95.6Very high80.1Confident5 Ų537.4 Ų37.42%0.0219%0.194CC..EExtended strand (participates in β ladder)trans-139.3161.4171.677.2-68.3000111.9L64 L150 L167 Q206 N234 T255 I257L64-Y204 HydrophobicContact CD1-CD1 4.31Å; L64-Y204 HydrophobicContact CD1-CE1 3.66Å; L64-Y204 HydrophobicContact CD1-CE2 4.25Å; L64-Y204 HydrophobicContact CD2-CD1 4.48Å; L64-Y204 HydrophobicContact CD2-CD2 4.09Å; L64-Y204 HydrophobicContact CD2-CE1 4.46Å; L64-Y204 HydrophobicContact CD2-CE2 4.08Å; L64-Y204 HydrophobicContact CD2-CG 4.29Å; L150-Y204 CarbonylContact O-C 3.58Å; L150-Y204 WeakPolarHBondContact O-CA 3.14Å; L150-Y204 VanDerWaalsContact O-CB 3.3Å; L150-Y204 WeakPolarHBondContact O-CB 3.38Å; L167-Y204 HydrophobicContact CD1-CE1 4.19Å; L167-Y204 HydrophobicContact CD2-CE1 4.22Å; L167-Y204 HydrophobicContact CG-CE1 4.42Å; Y204-Q206 HydrophobicContact CE2-CB 4.34Å; Y204-N234 PolarHBondContact OH-ND2 3.41Å; Y204-N234 VanDerWaalsContact OH-ND2 3.08Å; Y204-T255 HydrophobicContact CD1-CG2 4.29Å; Y204-T255 HydrophobicContact CE1-CG2 3.54Å; Y204-T255 PolarHBondContact N-O 3.02Å; Y204-T255 PolarHBondContact O-N 2.94Å; Y204-I257 HydrophobicContact CD1-CD1 3.75Å; Y204-I257 HydrophobicContact CD1-CG1 3.49Å; Y204-I257 VanDerWaalsContact CD1-CG1 3.49Å; Y204-I257 HydrophobicContact CE1-CG1 4.12Å; Y204-I257 HydrophobicContact CG-CD1 4.26Å; Y204-I257 HydrophobicContact CG-CG1 4.45Å
205R91.6Very high78.3Confident22 Ų2236.9 Ų36.98%0.08319%0.185CC..EExtended strand (participates in β ladder)trans-128.6143.3164.2-166.5175.992.4-177.1-0.7109.3R149 L150 D207 S249 V250 R252 L254R149-R205 WeakPolarHBondContact CA-O 3.25Å; L150-R205 HydrophobicContact CB-CB 4.29Å; L150-R205 HydrophobicContact CD2-CB 4.49Å; L150-R205 PolarHBondContact N-O 3.07Å; L150-R205 PolarHBondContact O-N 2.9Å; R205-D207 IonicContact CZ-OD1 3.42Å; R205-D207 IonicContact CZ-OD2 3.5Å; R205-D207 IonicContact NE-OD1 2.88Å; R205-D207 PolarHBondContact NE-OD1 2.97Å; R205-D207 IonicContact NE-OD2 3.29Å; R205-D207 PolarHBondContact NE-OD2 2.77Å; R205-D207 IonicContact NH2-OD1 3.27Å; R205-D207 PolarHBondContact NH2-OD1 3.29Å; R205-D207 IonicContact NH2-OD2 2.83Å; R205-D207 PolarHBondContact NH2-OD2 3.19Å; R205-S249 PolarHBondContact NH1-O 3.29Å; R205-V250 PolarHBondContact NH1-O 3.2Å; R205-R252 WeakPolarHBondContact CD-O 3.33Å; R205-R252 PolarHBondContact NH1-O 2.79Å; R205-R252 VanDerWaalsContact NH1-O 3.17Å; R205-L254 HydrophobicContact CB-CD2 3.87Å
206Q86.9Confident76.5Confident6 Ų638.5 Ų38.53%0.02819%0.193CC..EExtended strand (participates in β ladder)trans-114.7116.4175-17966.857.800109Y148 R149 Y204 Q235 T236Y148-Q206 PolarHBondContact O-NE2 3.05Å; R149-Q206 VanDerWaalsContact CZ-OE1 3.25Å; Y204-Q206 HydrophobicContact CE2-CB 4.34Å; Q206-Q235 HydrophobicContact CB-CG 4.12Å; Q206-Q235 HydrophobicContact CG-CG 4.01Å; Q206-Q235 WeakPolarHBondContact O-CA 3.44Å; Q206-T236 PolarHBondContact O-N 3.4Å; Q206-T236 VanDerWaalsContact O-N 3.11Å; Q206-T236 PolarHBondContact O-OG1 3.49Å
207D79.8Confident74.9Confident5 Ų539.9 Ų39.93%0.02721%0.207CC..EExtended strand (participates in β ladder)trans-100133.8173.5-65.2-33.6000109.2G147 Y148 R205 T236 Y238G147-D207 WeakPolarHBondContact CA-O 3.41Å; Y148-D207 PolarHBondContact N-O 2.97Å; Y148-D207 VanDerWaalsContact N-O 3.1Å; Y148-D207 PolarHBondContact O-N 3.47Å; R205-D207 IonicContact CZ-OD1 3.42Å; R205-D207 IonicContact CZ-OD2 3.5Å; R205-D207 IonicContact NE-OD1 2.88Å; R205-D207 PolarHBondContact NE-OD1 2.97Å; R205-D207 IonicContact NE-OD2 3.29Å; R205-D207 PolarHBondContact NE-OD2 2.77Å; R205-D207 IonicContact NH2-OD1 3.27Å; R205-D207 PolarHBondContact NH2-OD1 3.29Å; R205-D207 IonicContact NH2-OD2 2.83Å; R205-D207 PolarHBondContact NH2-OD2 3.19Å; D207-T236 CarbonylContact C-O 3.53Å; D207-T236 WeakPolarHBondContact CA-O 3.44Å; D207-T236 WeakPolarHBondContact OD1-CB 3.22Å; D207-T236 PolarHBondContact OD1-OG1 3.36Å; D207-Y238 HydrophobicContact CB-CD1 4.16Å
208R72.7Confident72.8Confident37 Ų3742.3 Ų42.314%0.1422%0.222CC..EExtended strand (participates in β ladder)trans-117.6145.2175.1-78.8-81.6-167.689.27.3109.7S210 S229 T236 Q237 Y238R208-S210 PolarHBondContact O-N 3.25Å; R208-S229 PolarHBondContact NH1-OG 3.25Å; R208-T236 PolarHBondContact N-O 3.29Å; R208-Q237 VanDerWaalsContact O-CA 3.31Å; R208-Q237 WeakPolarHBondContact O-CA 3.21Å; R208-Y238 VanDerWaalsContact C-CD1 3.46Å; R208-Y238 WeakPolarHBondContact O-CD1 3.48Å; R208-Y238 WeakPolarHBondContact O-CE1 3.26Å; R208-Y238 PolarHBondContact O-N 3.35Å; R208-Y238 VanDerWaalsContact O-N 3.09Å
209P64.1Low70.9Confident23 Ų2342.9 Ų42.915%0.14923%0.233CC..EExtended strand (participates in β ladder)trans-59.9137.4170.721.8-29.5000110.1Y238P209-Y238 VanDerWaalsContact CA-CE1 3.46Å; P209-Y238 VanDerWaalsContact CA-CZ 3.42Å; P209-Y238 HydrophobicContact CB-CE1 4.16Å; P209-Y238 HydrophobicContact CB-CE2 4.09Å; P209-Y238 WeakPolarHBondContact CB-OH 3.42Å
210S57.2Low68.9Low12 Ų1250.5 Ų50.58%0.08426%0.264CS..  trans-63.3153.8169.6600000110.9R208 L212 S213 T214 Y238R208-S210 PolarHBondContact O-N 3.25Å; S210-L212 PolarHBondContact O-N 3.15Å; S210-S213 PolarHBondContact O-N 3.42Å; S210-S213 VanDerWaalsContact O-N 3.1Å; S210-T214 PolarHBondContact O-N 3.14Å; S210-T214 VanDerWaalsContact O-N 3.09Å; S210-T214 PolarHBondContact O-OG1 3.4Å; S210-T214 VanDerWaalsContact O-OG1 3.05Å; S210-Y238 WeakPolarHBondContact CB-O 3.5Å; S210-Y238 PolarHBondContact N-O 2.98Å; S210-Y238 PolarHBondContact OG-O 3.41Å
211F56.1Low66.4Low155 Ų15553.3 Ų53.368%0.6829%0.286SS*.Hα-helixtrans-51-40.9178.6180-105.5000112.7T214 L215F211-T214 PolarHBondContact O-N 3.24Å; F211-L215 HydrophobicContact CD1-CD1 4.24Å; F211-L215 HydrophobicContact CE1-CD1 3.49Å; F211-L215 VanDerWaalsContact CE1-CD1 3.49Å; F211-L215 HydrophobicContact CE2-CD1 4.32Å; F211-L215 HydrophobicContact CZ-CD1 3.54Å; F211-L215 WeakPolarHBondContact O-CB 3.23Å; F211-L215 PolarHBondContact O-N 3.16Å
212L49.4Very low63.9Low107 Ų10758.6 Ų58.656%0.5632%0.323SS*.Hα-helixtrans-65.1-40.7178.6-95.7156.2000113.7S210 T214 L215 I216S210-L212 PolarHBondContact O-N 3.15Å; L212-T214 VanDerWaalsContact C-N 3.34Å; L212-L215 PolarHBondContact O-N 2.91Å; L212-I216 WeakPolarHBondContact O-CG1 3.48Å; L212-I216 PolarHBondContact O-N 3.46Å; L212-I216 VanDerWaalsContact O-N 3.14Å
213S49.5Very low61.1Low47 Ų4765.3 Ų65.333%0.32936%0.358SS..Hα-helixtrans-67.7-37.3176.1168.30000111.4S210 I216 G217S210-S213 PolarHBondContact O-N 3.42Å; S210-S213 VanDerWaalsContact O-N 3.1Å; S213-I216 PolarHBondContact O-N 3.07Å; S213-G217 PolarHBondContact O-N 3.47Å; S213-G217 VanDerWaalsContact O-N 3.09Å
214T48.7Very low58.1Low29 Ų2975.8 Ų75.818%0.17840%0.398CS..Hα-helixtrans-65.1-42.1175.3-47.70000110.8S210 F211 L212 I216 G217 V218 F226S210-T214 PolarHBondContact O-N 3.14Å; S210-T214 VanDerWaalsContact O-N 3.09Å; S210-T214 PolarHBondContact O-OG1 3.4Å; S210-T214 VanDerWaalsContact O-OG1 3.05Å; F211-T214 PolarHBondContact O-N 3.24Å; L212-T214 VanDerWaalsContact C-N 3.34Å; T214-I216 PolarHBondContact O-N 2.93Å; T214-G217 PolarHBondContact O-N 3.45Å; T214-V218 HydrophobicContact CG2-CG2 4.41Å; T214-V218 VanDerWaalsContact O-CG2 3.24Å; T214-V218 WeakPolarHBondContact O-CG2 3.17Å; T214-V218 PolarHBondContact O-N 2.75Å; T214-F226 HydrophobicContact CG2-CE1 4.41Å; T214-F226 HydrophobicContact CG2-CE2 4.21Å; T214-F226 HydrophobicContact CG2-CZ 4.16Å
215L50.2Low55.3Low80 Ų8081.7 Ų81.742%0.41943%0.43SS..Hα-helixtrans-64.9-37.4179.3-143.3139.4000112.3F211 L212 V218 L219F211-L215 HydrophobicContact CD1-CD1 4.24Å; F211-L215 HydrophobicContact CE1-CD1 3.49Å; F211-L215 VanDerWaalsContact CE1-CD1 3.49Å; F211-L215 HydrophobicContact CE2-CD1 4.32Å; F211-L215 HydrophobicContact CZ-CD1 3.54Å; F211-L215 WeakPolarHBondContact O-CB 3.23Å; F211-L215 PolarHBondContact O-N 3.16Å; L212-L215 PolarHBondContact O-N 2.91Å; L215-V218 PolarHBondContact O-N 3.47Å; L215-L219 HydrophobicContact CD2-CD1 3.96Å; L215-L219 WeakPolarHBondContact O-CG 3.04Å; L215-L219 PolarHBondContact O-N 2.99Å
216I51.3Low52.8Low99 Ų9985.8 Ų85.851%0.50845%0.448SS..Hα-helixtrans-65-45.7172.4-64.9165.7000110.5L212 S213 T214 V218 L219 F220L212-I216 WeakPolarHBondContact O-CG1 3.48Å; L212-I216 PolarHBondContact O-N 3.46Å; L212-I216 VanDerWaalsContact O-N 3.14Å; S213-I216 PolarHBondContact O-N 3.07Å; T214-I216 PolarHBondContact O-N 2.93Å; I216-V218 VanDerWaalsContact C-N 3.34Å; I216-V218 PolarHBondContact O-N 3.35Å; I216-L219 PolarHBondContact O-N 2.88Å; I216-F220 HydrophobicContact CG2-CD2 4.24Å; I216-F220 HydrophobicContact CG2-CE2 4.27Å; I216-F220 VanDerWaalsContact O-CD2 3.29Å; I216-F220 WeakPolarHBondContact O-CD2 3.28Å; I216-F220 PolarHBondContact O-N 3.48Å
217G50.3Low50.5Low38 Ų3890.9 Ų90.939%0.39248%0.48SS..Hα-helixtrans-62.1-36.4176.500000114.2S213 T214 F220 S221S213-G217 PolarHBondContact O-N 3.47Å; S213-G217 VanDerWaalsContact O-N 3.09Å; T214-G217 PolarHBondContact O-N 3.45Å; G217-F220 PolarHBondContact O-N 3.41Å; G217-S221 PolarHBondContact O-N 3.06Å; G217-S221 PolarHBondContact O-OG 3.2Å
218V50.3Low48.7Very low59 Ų5998.9 Ų98.936%0.35852%0.517SS..Hα-helixtrans-72.1-32.4176.3173.40000112.1T214 L215 I216 F220 L223T214-V218 HydrophobicContact CG2-CG2 4.41Å; T214-V218 VanDerWaalsContact O-CG2 3.24Å; T214-V218 WeakPolarHBondContact O-CG2 3.17Å; T214-V218 PolarHBondContact O-N 2.75Å; L215-V218 PolarHBondContact O-N 3.47Å; I216-V218 VanDerWaalsContact C-N 3.34Å; I216-V218 PolarHBondContact O-N 3.35Å; V218-F220 PolarHBondContact O-N 3.35Å; V218-L223 HydrophobicContact CG1-CD2 3.85Å; V218-L223 HydrophobicContact CG1-CG 4.35Å
219L52.2Low47.4Very low133 Ų13399.2 Ų99.270%0.69653%0.525SS*.Hα-helixtrans-64.7-24.4172.2-86.3158.2000112.6L215 I216L215-L219 HydrophobicContact CD2-CD1 3.96Å; L215-L219 WeakPolarHBondContact O-CG 3.04Å; L215-L219 PolarHBondContact O-N 2.99Å; I216-L219 PolarHBondContact O-N 2.88Å
220F52.2Low46.7Very low183 Ų183104.7 Ų104.780%0.80355%0.553SS**Hα-helixtrans-104.6-12.9-179.1-76.2-77.1000115.1I216 G217 V218I216-F220 HydrophobicContact CG2-CD2 4.24Å; I216-F220 HydrophobicContact CG2-CE2 4.27Å; I216-F220 VanDerWaalsContact O-CD2 3.29Å; I216-F220 WeakPolarHBondContact O-CD2 3.28Å; I216-F220 PolarHBondContact O-N 3.48Å; G217-F220 PolarHBondContact O-N 3.41Å; V218-F220 PolarHBondContact O-N 3.35Å
221S44.3Very low46.7Very low79 Ų79107 Ų10755%0.55257%0.568SS**SBendtrans-135.2123.9177.463.20000112.1G217 L223G217-S221 PolarHBondContact O-N 3.06Å; G217-S221 PolarHBondContact O-OG 3.2Å; S221-L223 PolarHBondContact O-N 3.43Å
222S44.3Very low46.9Very low110 Ų110103.6 Ų103.677%0.76955%0.554SS**  trans-38.5114.9-177.9156.50000114.5R224S222-R224 PolarHBondContact O-N 2.63Å
223L38.8Very low47.8Very low143 Ų143103.9 Ų103.975%0.74956%0.56SS**  trans-31.9104.3166.3-70.9152.9000114.8V218 S221V218-L223 HydrophobicContact CG1-CD2 3.85Å; V218-L223 HydrophobicContact CG1-CG 4.35Å; S221-L223 PolarHBondContact O-N 3.43Å
224R34.6Very low49Very low219 Ų219101.8 Ų101.883%0.82655%0.545SS*.  trans-143.3119.3146.8-66.2-169.1-155.7-145.12.8109.8S222S222-R224 PolarHBondContact O-N 2.63Å
225D37.1Very low50.1Low130 Ų130101.9 Ų101.970%0.69554%0.544SS*.  trans65.760.7155.4-48.5-27.6000119.1
226F39.5Very low50.8Low107 Ų107100.1 Ų100.147%0.46954%0.536SS..  trans-98.4100.8162.9-158-90.5000111.5N144 Q145 T214N144-F226 WeakPolarHBondContact O-CE2 3.45Å; Q145-F226 HydrophobicContact CB-CE2 4.47Å; Q145-F226 HydrophobicContact CG-CE2 4.42Å; Q145-F226 HydrophobicContact CG-CZ 4.38Å; T214-F226 HydrophobicContact CG2-CE1 4.41Å; T214-F226 HydrophobicContact CG2-CE2 4.21Å; T214-F226 HydrophobicContact CG2-CZ 4.16Å
227V38.5Very low51.3Low114 Ų114100.9 Ų100.969%0.69154%0.537SS*.  trans-76.3121.4172.7176.10000109.8S229V227-S229 PolarHBondContact O-N 3.36Å
228Q42.2Very low51.8Low172 Ų172101.4 Ų101.480%0.80453%0.528SS*.  trans-62.9107.6175.7-172.6172.62.800110.6
229S43.7Very low51.9Low44 Ų44108.3 Ų108.331%0.30855%0.548SS..  trans-109.1126.2166.773.70000109.5Q145 R208 V227Q145-S229 PolarHBondContact NE2-OG 2.88Å; R208-S229 PolarHBondContact NH1-OG 3.25Å; V227-S229 PolarHBondContact O-N 3.36Å
230N50.9Low52Low139 Ų139110.3 Ų110.374%0.74355%0.551SS**PPolyproline II helixtrans-57.3136167.6-74.56.2000109.4E232N230-E232 PolarHBondContact O-N 2.95Å
231P56.6Low52.6Low60 Ų60109.5 Ų109.539%0.3956%0.555SS.*PPolyproline II helixtrans-60.4135.1175.726.9-35.1000110Q235P231-Q235 HydrophobicContact CB-CB 4.26Å
232E61.1Low53.9Low84 Ų84107.2 Ų107.239%0.39354%0.538SS..PPolyproline II helixtrans-62154.5168.9-63.5-177156.900109.4K60 N230 N234 Q235K60-E232 IonicContact NZ-OE1 3.86Å; K60-E232 PolarHBondContact NZ-OE1 3.32Å; K60-E232 IonicContact NZ-OE2 3.05Å; K60-E232 PolarHBondContact NZ-OE2 3.12Å; N230-E232 PolarHBondContact O-N 2.95Å; E232-N234 WeakPolarHBondContact CB-OD1 3.48Å; E232-N234 PolarHBondContact O-N 2.9Å; E232-Q235 HydrophobicContact CB-CG 4.07Å; E232-Q235 PolarHBondContact O-N 3.48Å
233T66.5Low55.6Low112 Ų112106.6 Ų106.669%0.68753%0.525SS*.THydrogen-bonded Turntrans-55.6-20.2-175.445.30000115F165F165-T233 WeakPolarHBondContact CE1-O 3.33Å; F165-T233 WeakPolarHBondContact CZ-O 3.38Å
234N74.5Confident57.7Low4 Ų4101.8 Ų101.82%0.02150%0.497CS..THydrogen-bonded Turntrans-102.86.8-179.369.8-37.7000114.6F165 A173 Y204 E232 T255F165-N234 HydrophobicContact CB-CB 4.22Å; F165-N234 HydrophobicContact CD1-CB 4.05Å; F165-N234 HydrophobicContact CD2-CB 3.63Å; F165-N234 HydrophobicContact CE1-CB 4.32Å; F165-N234 HydrophobicContact CE2-CB 3.93Å; F165-N234 HydrophobicContact CG-CB 3.69Å; F165-N234 HydrophobicContact CZ-CB 4.27Å; A173-N234 HydrophobicContact CB-CB 3.66Å; A173-N234 VanDerWaalsContact CB-CG 3.42Å; Y204-N234 PolarHBondContact OH-ND2 3.41Å; Y204-N234 VanDerWaalsContact OH-ND2 3.08Å; E232-N234 WeakPolarHBondContact CB-OD1 3.48Å; E232-N234 PolarHBondContact O-N 2.9Å; N234-T255 PolarHBondContact ND2-OG1 3.13Å; N234-T255 VanDerWaalsContact ND2-OG1 3.14Å
235Q73.3Confident60.1Low31 Ų3198 Ų9815%0.14549%0.489CS..EExtended strand (participates in β ladder)trans-96.4131.1-179.8-64.3179.45.800111.4Q206 P231 E232Q206-Q235 HydrophobicContact CB-CG 4.12Å; Q206-Q235 HydrophobicContact CG-CG 4.01Å; Q206-Q235 WeakPolarHBondContact O-CA 3.44Å; P231-Q235 HydrophobicContact CB-CB 4.26Å; E232-Q235 HydrophobicContact CB-CG 4.07Å; E232-Q235 PolarHBondContact O-N 3.48Å
236T64.3Low62.4Low42 Ų4295 Ų9526%0.25847%0.473SS..EExtended strand (participates in β ladder)trans-97.5133.3178.623.20000110.3Q206 D207 R208Q206-T236 PolarHBondContact O-N 3.4Å; Q206-T236 VanDerWaalsContact O-N 3.11Å; Q206-T236 PolarHBondContact O-OG1 3.49Å; D207-T236 CarbonylContact C-O 3.53Å; D207-T236 WeakPolarHBondContact CA-O 3.44Å; D207-T236 WeakPolarHBondContact OD1-CB 3.22Å; D207-T236 PolarHBondContact OD1-OG1 3.36Å; R208-T236 PolarHBondContact N-O 3.29Å
237Q62.8Low64.4Low115 Ų11591.5 Ų91.554%0.53746%0.458SS..EExtended strand (participates in β ladder)trans-95.4130.7176.6-70-1741400111R208R208-Q237 VanDerWaalsContact O-CA 3.31Å; R208-Q237 WeakPolarHBondContact O-CA 3.21Å
238Y60.9Low66.6Low50 Ų5092 Ų9220%0.19646%0.457CS..EExtended strand (participates in β ladder)trans-101.8141.6174.263.2-91.6000112.4Y148 D207 R208 P209 S210 V242Y148-Y238 HydrophobicContact CD2-CE1 4.13Å; Y148-Y238 HydrophobicContact CE2-CE1 4.45Å; D207-Y238 HydrophobicContact CB-CD1 4.16Å; R208-Y238 VanDerWaalsContact C-CD1 3.46Å; R208-Y238 WeakPolarHBondContact O-CD1 3.48Å; R208-Y238 WeakPolarHBondContact O-CE1 3.26Å; R208-Y238 PolarHBondContact O-N 3.35Å; R208-Y238 VanDerWaalsContact O-N 3.09Å; P209-Y238 VanDerWaalsContact CA-CE1 3.46Å; P209-Y238 VanDerWaalsContact CA-CZ 3.42Å; P209-Y238 HydrophobicContact CB-CE1 4.16Å; P209-Y238 HydrophobicContact CB-CE2 4.09Å; P209-Y238 WeakPolarHBondContact CB-OH 3.42Å; S210-Y238 WeakPolarHBondContact CB-O 3.5Å; S210-Y238 PolarHBondContact N-O 2.98Å; S210-Y238 PolarHBondContact OG-O 3.41Å; Y238-V242 HydrophobicContact CD2-CG2 4.44Å; Y238-V242 HydrophobicContact CG-CG2 4.19Å
239R51.9Low68.5Low203 Ų20386.6 Ų86.677%0.76644%0.438SS*.  trans-101.3-22.7-176.7-166.4176.6178.8179.10.7114
240K53.1Low70.4Confident176 Ų17684.5 Ų84.577%0.76542%0.424SS*.SBendtrans-148.4177.9-173.4-79.7-169.9174.1-173.60110.9V242K240-V242 PolarHBondContact O-N 3.24Å
241D65.9Low72.2Confident166 Ų16678 Ų7889%0.88839%0.389SS*.  trans-42.5117.4168-59.6-41.8000110.2D243D241-D243 PolarHBondContact O-N 3.27Å
242V71.5Confident73.6Confident31 Ų3182.9 Ų82.919%0.18840%0.4CS..  trans-70.5122.6175.6178.40000107.1Y238 K240 W244 V250Y238-V242 HydrophobicContact CD2-CG2 4.44Å; Y238-V242 HydrophobicContact CG-CG2 4.19Å; K240-V242 PolarHBondContact O-N 3.24Å; V242-W244 HydrophobicContact CB-CD2 4.26Å; V242-W244 HydrophobicContact CB-CE3 4.49Å; V242-W244 HydrophobicContact CB-CH2 4.01Å; V242-W244 HydrophobicContact CB-CZ2 3.76Å; V242-W244 HydrophobicContact CB-CZ3 4.36Å; V242-W244 HydrophobicContact CG1-CD2 3.94Å; V242-W244 HydrophobicContact CG1-CE3 3.74Å; V242-W244 HydrophobicContact CG1-CH2 3.77Å; V242-W244 HydrophobicContact CG1-CZ2 3.97Å; V242-W244 HydrophobicContact CG1-CZ3 3.65Å; V242-W244 HydrophobicContact CG2-CH2 4.35Å; V242-W244 HydrophobicContact CG2-CZ2 4.28Å; V242-W244 PolarHBondContact O-N 3.46Å; V242-V250 HydrophobicContact CG1-CG2 4.05Å
243D80.6Confident75Confident96 Ų9681.3 Ų81.351%0.51339%0.394SS..  trans-72.697.1172.2-175.8-0.1000109.2D241 E245 D246 V250D241-D243 PolarHBondContact O-N 3.27Å; D243-E245 PolarHBondContact O-N 2.87Å; D243-E245 WeakPolarHBondContact OD1-CA 3.31Å; D243-E245 WeakPolarHBondContact OD1-CB 3.43Å; D243-E245 PolarHBondContact OD1-N 3.18Å; D243-D246 HydrophobicContact CB-CB 4.38Å; D243-D246 PolarHBondContact O-N 3.15Å; D243-D246 PolarHBondContact OD1-N 3.3Å; D243-V250 WeakPolarHBondContact O-CG2 3.48Å
244W82.5Confident76.3Confident43 Ų4376 Ų7616%0.16336%0.361CS..THydrogen-bonded Turntrans-70.9-8.9177.5-56.4113.7000113.2V123 K124 Y126 V138 Y148 V242 V250V123-W244 HydrophobicContact CG1-CD2 4.29Å; V123-W244 HydrophobicContact CG1-CZ2 4.01Å; K124-W244 HydrophobicContact CB-CB 4.36Å; K124-W244 HydrophobicContact CD-CB 4.21Å; K124-W244 WeakPolarHBondContact CE-O 3.5Å; K124-W244 HydrophobicContact CG-CB 4.17Å; Y126-W244 WeakPolarHBondContact CE1-O 3.4Å; Y126-W244 PolarHBondContact OH-O 3.46Å; V138-W244 HydrophobicContact CB-CZ3 4.29Å; V138-W244 HydrophobicContact CG1-CE3 4.32Å; V138-W244 HydrophobicContact CG1-CH2 3.65Å; V138-W244 HydrophobicContact CG1-CZ2 4.44Å; V138-W244 HydrophobicContact CG1-CZ3 3.57Å; V138-W244 HydrophobicContact CG2-CE3 4.24Å; V138-W244 HydrophobicContact CG2-CZ3 3.95Å; Y148-W244 AromaticContact CD1-CH2 3.86Å; Y148-W244 HydrophobicContact CD1-CH2 3.86Å; Y148-W244 AromaticContact CD1-CZ2 3.79Å; Y148-W244 HydrophobicContact CD1-CZ2 3.79Å; Y148-W244 AromaticContact CD2-CH2 3.78Å; Y148-W244 HydrophobicContact CD2-CH2 3.78Å; Y148-W244 AromaticContact CD2-CZ2 3.79Å; Y148-W244 HydrophobicContact CD2-CZ2 3.79Å; Y148-W244 HydrophobicContact CE1-CH2 4.31Å; Y148-W244 AromaticContact CE1-CZ2 3.75Å; Y148-W244 HydrophobicContact CE1-CZ2 3.75Å; Y148-W244 HydrophobicContact CE2-CH2 4.24Å; Y148-W244 AromaticContact CE2-CZ2 3.76Å; Y148-W244 HydrophobicContact CE2-CZ2 3.76Å; Y148-W244 AromaticContact CG-CH2 3.56Å; Y148-W244 HydrophobicContact CG-CH2 3.56Å; Y148-W244 AromaticContact CG-CZ2 3.8Å; Y148-W244 HydrophobicContact CG-CZ2 3.8Å; Y148-W244 AromaticContact CZ-CZ2 3.74Å; V242-W244 HydrophobicContact CB-CD2 4.26Å; V242-W244 HydrophobicContact CB-CE3 4.49Å; V242-W244 HydrophobicContact CB-CH2 4.01Å; V242-W244 HydrophobicContact CB-CZ2 3.76Å; V242-W244 HydrophobicContact CB-CZ3 4.36Å; V242-W244 HydrophobicContact CG1-CD2 3.94Å; V242-W244 HydrophobicContact CG1-CE3 3.74Å; V242-W244 HydrophobicContact CG1-CH2 3.77Å; V242-W244 HydrophobicContact CG1-CZ2 3.97Å; V242-W244 HydrophobicContact CG1-CZ3 3.65Å; V242-W244 HydrophobicContact CG2-CH2 4.35Å; V242-W244 HydrophobicContact CG2-CZ2 4.28Å; V242-W244 PolarHBondContact O-N 3.46Å; W244-V250 HydrophobicContact CE3-CG1 4.22Å; W244-V250 HydrophobicContact CE3-CG2 4.26Å; W244-V250 HydrophobicContact CZ3-CG1 4.17Å
245E84.6Confident77.3Confident140 Ų14075.8 Ų75.865%0.65436%0.36SS*.THydrogen-bonded Turntrans-84.4-26.9172.8-57.4-52.3146.700112K124 D243 E247K124-E245 IonicContact NZ-OE1 2.64Å; K124-E245 PolarHBondContact NZ-OE1 3.4Å; K124-E245 IonicContact NZ-OE2 2.86Å; K124-E245 PolarHBondContact NZ-OE2 3.13Å; D243-E245 PolarHBondContact O-N 2.87Å; D243-E245 WeakPolarHBondContact OD1-CA 3.31Å; D243-E245 WeakPolarHBondContact OD1-CB 3.43Å; D243-E245 PolarHBondContact OD1-N 3.18Å; E245-E247 PolarHBondContact O-N 3.01Å
246D85Confident78.4Confident66 Ų6674.4 Ų74.435%0.35335%0.354SS..  trans-8080173.2-177.819.3000112.3D243 N248 S249 V250D243-D246 HydrophobicContact CB-CB 4.38Å; D243-D246 PolarHBondContact O-N 3.15Å; D243-D246 PolarHBondContact OD1-N 3.3Å; D246-N248 PolarHBondContact O-N 3.27Å; D246-N248 VanDerWaalsContact O-N 3.14Å; D246-N248 PolarHBondContact OD1-N 2.93Å; D246-S249 PolarHBondContact O-N 2.89Å; D246-S249 PolarHBondContact O-OG 3.44Å; D246-S249 WeakPolarHBondContact OD2-CB 3.38Å; D246-S249 PolarHBondContact OD2-OG 2.96Å; D246-V250 WeakPolarHBondContact O-CG2 3.32Å; D246-V250 PolarHBondContact O-N 3.37Å
247E83Confident79.9Confident34 Ų3472.6 Ų72.616%0.15934%0.343CS..Hα-helixtrans-52.5-35.7176179.6-174.1168.600113.5Y126 R132 E245 S249 V250 V251Y126-E247 HydrophobicContact CD1-CB 4.19Å; Y126-E247 HydrophobicContact CD1-CG 4.09Å; Y126-E247 HydrophobicContact CE1-CB 3.88Å; Y126-E247 HydrophobicContact CE1-CG 4.2Å; R132-E247 VanDerWaalsContact CZ-CD 3.46Å; R132-E247 IonicContact CZ-OE1 2.92Å; R132-E247 IonicContact CZ-OE2 3.9Å; R132-E247 IonicContact NE-OE1 3.89Å; R132-E247 IonicContact NE-OE2 3.17Å; R132-E247 IonicContact NH1-OE1 2.79Å; R132-E247 PolarHBondContact NH1-OE1 3.35Å; R132-E247 IonicContact NH1-OE2 2.96Å; R132-E247 PolarHBondContact NH1-OE2 3Å; R132-E247 IonicContact NH2-OE1 2.66Å; R132-E247 IonicContact NH2-OE2 2.75Å; R132-E247 PolarHBondContact NH2-OE2 3.48Å; E245-E247 PolarHBondContact O-N 3.01Å; E247-S249 VanDerWaalsContact C-N 3.34Å; E247-S249 PolarHBondContact O-N 3.42Å; E247-V250 PolarHBondContact O-N 3.33Å; E247-V251 HydrophobicContact CG-CB 4.36Å; E247-V251 HydrophobicContact CG-CG2 3.72Å; E247-V251 WeakPolarHBondContact O-CB 3.39Å; E247-V251 WeakPolarHBondContact O-CG2 3.36Å; E247-V251 PolarHBondContact O-N 3.16Å
248N84.1Confident81.5Confident123 Ų12367.2 Ų67.266%0.65832%0.318SS*.Hα-helixtrans-71.3-31.9-172.5-74.3-38.2000112.2D246D246-N248 PolarHBondContact O-N 3.27Å; D246-N248 VanDerWaalsContact O-N 3.14Å; D246-N248 PolarHBondContact OD1-N 2.93Å
249S81.7Confident83.2Confident59 Ų5965 Ų6541%0.41331%0.309SS..Hα-helixtrans-79.4-32.4172.263.40000112.2R205 D246 E247R205-S249 PolarHBondContact NH1-O 3.29Å; D246-S249 PolarHBondContact O-N 2.89Å; D246-S249 PolarHBondContact O-OG 3.44Å; D246-S249 WeakPolarHBondContact OD2-CB 3.38Å; D246-S249 PolarHBondContact OD2-OG 2.96Å; E247-S249 VanDerWaalsContact C-N 3.34Å; E247-S249 PolarHBondContact O-N 3.42Å
250V84.4Confident85.4Confident1 Ų155.3 Ų55.31%0.00627%0.273CS..Hα-helixtrans-76.3-42.8-179.3176.40000112.4Y126 L150 R205 V242 D243 W244 D246 E247 R252Y126-V250 HydrophobicContact CE2-CB 4.45Å; Y126-V250 HydrophobicContact CE2-CG1 3.79Å; L150-V250 HydrophobicContact CD1-CG1 3.45Å; L150-V250 VanDerWaalsContact CD1-CG1 3.45Å; R205-V250 PolarHBondContact NH1-O 3.2Å; V242-V250 HydrophobicContact CG1-CG2 4.05Å; D243-V250 WeakPolarHBondContact O-CG2 3.48Å; W244-V250 HydrophobicContact CE3-CG1 4.22Å; W244-V250 HydrophobicContact CE3-CG2 4.26Å; W244-V250 HydrophobicContact CZ3-CG1 4.17Å; D246-V250 WeakPolarHBondContact O-CG2 3.32Å; D246-V250 PolarHBondContact O-N 3.37Å; E247-V250 PolarHBondContact O-N 3.33Å; V250-R252 PolarHBondContact O-N 3.45Å
251V87.1Confident87.4Confident3 Ų347 Ų472%0.01824%0.236CC..SBendtrans-98.759.2-176.5-164.60000110.8Y126 L150 K162 E247 L254Y126-V251 HydrophobicContact CD2-CG2 4.2Å; Y126-V251 HydrophobicContact CE2-CG2 4.29Å; L150-V251 HydrophobicContact CD1-CG2 4.19Å; K162-V251 HydrophobicContact CD-CG1 4.1Å; K162-V251 WeakPolarHBondContact CD-O 3.5Å; E247-V251 HydrophobicContact CG-CB 4.36Å; E247-V251 HydrophobicContact CG-CG2 3.72Å; E247-V251 WeakPolarHBondContact O-CB 3.39Å; E247-V251 WeakPolarHBondContact O-CG2 3.36Å; E247-V251 PolarHBondContact O-N 3.16Å; V251-L254 HydrophobicContact CG1-CD1 4.21Å
252R88Confident88.8Confident162 Ų16239.1 Ų39.161%0.61119%0.194SC*.  trans-140.1160.3176.4-166.7178.3177.3176.22.1110.9R205 V250 L254R205-R252 WeakPolarHBondContact CD-O 3.33Å; R205-R252 PolarHBondContact NH1-O 2.79Å; R205-R252 VanDerWaalsContact NH1-O 3.17Å; V250-R252 PolarHBondContact O-N 3.45Å; R252-L254 VanDerWaalsContact C-N 3.29Å; R252-L254 PolarHBondContact O-N 3.09Å
253D89.9Confident89.8Confident51 Ų5139.5 Ų39.527%0.27319%0.194SC..SBendtrans59.439.1178.4-62.9-31.5000113K162 K164K162-D253 PolarHBondContact O-N 3.07Å; K164-D253 HydrophobicContact CB-CB 4.33Å; K164-D253 HydrophobicContact CD-CB 4.37Å; K164-D253 WeakPolarHBondContact CD-OD1 3.34Å
254L93.9Very high90.2Very high0 Ų035.4 Ų35.40%017%0.172CC..EExtended strand (participates in β ladder)trans-69.9159-178.7-53179.3000111.6L150 L159 K162 C163 K164 F165 A203 R205 V251 R252L150-L254 HydrophobicContact CD2-CD2 3.67Å; L159-L254 HydrophobicContact CD1-CD1 3.49Å; L159-L254 VanDerWaalsContact CD1-CD1 3.49Å; L159-L254 HydrophobicContact CG-CD1 4.16Å; K162-L254 HydrophobicContact CB-CD1 4Å; K162-L254 HydrophobicContact CB-CG 4.38Å; K162-L254 PolarHBondContact O-N 3.42Å; C163-L254 CarbonylContact C-O 3.58Å; C163-L254 WeakPolarHBondContact CA-O 3.18Å; K164-L254 PolarHBondContact N-O 3.41Å; F165-L254 PolarHBondContact N-O 3.28Å; F165-L254 VanDerWaalsContact N-O 3.15Å; A203-L254 HydrophobicContact CB-CB 4.02Å; A203-L254 HydrophobicContact CB-CD1 4.13Å; R205-L254 HydrophobicContact CB-CD2 3.87Å; V251-L254 HydrophobicContact CG1-CD1 4.21Å; R252-L254 VanDerWaalsContact C-N 3.29Å; R252-L254 PolarHBondContact O-N 3.09Å
255T94.7Very high90.6Very high0 Ų034.9 Ų34.90%017%0.174CC..EExtended strand (participates in β ladder)trans-107117.5168.6-55.30000109F165 L167 A173 A203 Y204 N234 I257F165-T255 HydrophobicContact CB-CG2 3.91Å; F165-T255 CarbonylContact O-C 3.55Å; F165-T255 WeakPolarHBondContact O-CA 3.16Å; L167-T255 HydrophobicContact CD2-CG2 3.76Å; L167-T255 HydrophobicContact CG-CG2 3.98Å; A173-T255 HydrophobicContact CB-CG2 4.28Å; A203-T255 CarbonylContact C-O 3.58Å; A203-T255 WeakPolarHBondContact CA-O 3.47Å; A203-T255 WeakPolarHBondContact CB-O 2.95Å; Y204-T255 HydrophobicContact CD1-CG2 4.29Å; Y204-T255 HydrophobicContact CE1-CG2 3.54Å; Y204-T255 PolarHBondContact N-O 3.02Å; Y204-T255 PolarHBondContact O-N 2.94Å; N234-T255 PolarHBondContact ND2-OG1 3.13Å; N234-T255 VanDerWaalsContact ND2-OG1 3.14Å; T255-I257 PolarHBondContact O-N 2.95Å
256C96.1Very high91Very high2 Ų229.4 Ų29.41%0.01415%0.15CC..EExtended strand (participates in β ladder)trans-66.9124.9175.3-179.70000110.4L160 C163 F165 I166 L167 F176L160-C256 HydrophobicContact CD2-CB 4.31Å; C163-C256 HydrophobicContact CB-CB 4.29Å; F165-C256 PolarHBondContact O-N 3.22Å; I166-C256 HydrophobicContact CB-CB 4.25Å; I166-C256 HydrophobicContact CG1-CB 4.05Å; L167-C256 PolarHBondContact N-O 2.88Å; F176-C256 HydrophobicContact CE1-CB 4.5Å
257I96Very high91.3Very high4 Ų427.4 Ų27.42%0.02114%0.138CC..EExtended strand (participates in β ladder)trans-91.8-54.5177.3-56.7168.9000109.7I61 L64 L65 C68 L167 L202 Y204 T255I61-I257 HydrophobicContact CG2-CG2 4.31Å; L64-I257 HydrophobicContact CB-CD1 4.2Å; L64-I257 HydrophobicContact CB-CG2 4.46Å; L65-I257 HydrophobicContact CB-CG2 3.93Å; L65-I257 HydrophobicContact CD1-CG2 4.24Å; C68-I257 HydrophobicContact CB-CD1 3.79Å; L167-I257 HydrophobicContact CD1-CB 4.41Å; L167-I257 HydrophobicContact CD1-CG1 4.32Å; L167-I257 HydrophobicContact CD1-CG2 4.23Å; L202-I257 HydrophobicContact CB-CB 4.43Å; L202-I257 WeakPolarHBondContact O-CA 3.4Å; L202-I257 WeakPolarHBondContact O-CB 3.36Å; L202-I257 PolarHBondContact O-N 2.9Å; Y204-I257 HydrophobicContact CD1-CD1 3.75Å; Y204-I257 HydrophobicContact CD1-CG1 3.49Å; Y204-I257 VanDerWaalsContact CD1-CG1 3.49Å; Y204-I257 HydrophobicContact CE1-CG1 4.12Å; Y204-I257 HydrophobicContact CG-CD1 4.26Å; Y204-I257 HydrophobicContact CG-CG1 4.45Å; T255-I257 PolarHBondContact O-N 2.95Å
258A96.6Very high91.7Very high2 Ų234.3 Ų34.32%0.01717%0.17CC..EExtended strand (participates in β ladder)trans-157.5153.3-173.200000112Y42 I43 L65 L202Y42-A258 VanDerWaalsContact O-CA 3.24Å; Y42-A258 WeakPolarHBondContact O-CA 3.35Å; I43-A258 HydrophobicContact CG1-CB 3.87Å; L65-A258 HydrophobicContact CD1-CB 3.77Å; L202-A258 PolarHBondContact N-O 3.22Å; L202-A258 PolarHBondContact O-N 3.43Å
259L97.2Very high92.2Very high3 Ų331.7 Ų31.72%0.01615%0.154CC..EExtended strand (participates in β ladder)trans-108.9138.1161.3-56.3170.7000108.3S41 Y42 L160 I184 I188 I189 I200 C201S41-L259 CarbonylContact C-O 3.59Å; S41-L259 VanDerWaalsContact CA-O 3.29Å; S41-L259 WeakPolarHBondContact CA-O 3.35Å; Y42-L259 HydrophobicContact CD1-CD1 4.25Å; Y42-L259 PolarHBondContact N-O 2.67Å; Y42-L259 PolarHBondContact O-N 3.3Å; L160-L259 HydrophobicContact CD1-CD1 4.47Å; L160-L259 HydrophobicContact CD1-CD2 4.31Å; L160-L259 HydrophobicContact CD2-CD2 4.18Å; L160-L259 HydrophobicContact CG-CD2 4.32Å; I184-L259 HydrophobicContact CG2-CD1 3.42Å; I184-L259 VanDerWaalsContact CG2-CD1 3.42Å; I188-L259 HydrophobicContact CG2-CD1 4.29Å; I189-L259 HydrophobicContact CD1-CD1 4.09Å; I189-L259 HydrophobicContact CD1-CD2 4.5Å; I189-L259 HydrophobicContact CG1-CD1 3.95Å; I200-L259 CarbonylContact O-C 3.59Å; I200-L259 WeakPolarHBondContact O-CA 3.44Å; C201-L259 HydrophobicContact CB-CD2 3.45Å; C201-L259 VanDerWaalsContact CB-CD2 3.45Å
260V97.1Very high92.8Very high0 Ų028.9 Ų28.90%013%0.134CC..EExtended strand (participates in β ladder)trans-125.8138.7176.1-61.60000110.7V38 R40 L99 F102 T199 I200 I262V38-V260 HydrophobicContact CG1-CB 3.89Å; V38-V260 HydrophobicContact CG1-CG1 3.98Å; V38-V260 HydrophobicContact CG2-CB 4.13Å; V38-V260 HydrophobicContact CG2-CG1 4.43Å; V38-V260 HydrophobicContact CG2-CG2 4.27Å; R40-V260 CarbonylContact O-C 3.41Å; R40-V260 WeakPolarHBondContact O-CA 3.32Å; L99-V260 HydrophobicContact CD2-CG2 3.72Å; F102-V260 HydrophobicContact CE1-CG1 4.31Å; T199-V260 CarbonylContact C-O 3.52Å; T199-V260 WeakPolarHBondContact CA-O 3.36Å; I200-V260 HydrophobicContact CB-CG2 3.84Å; I200-V260 HydrophobicContact CG2-CG2 4.46Å; I200-V260 PolarHBondContact N-O 3.41Å; I200-V260 PolarHBondContact O-N 3.11Å; V260-I262 HydrophobicContact CG2-CD1 4.1Å; V260-I262 HydrophobicContact CG2-CG1 4.08Å
261G96.2Very high93.3Very high0 Ų030.4 Ų30.40%014%0.144CC..EExtended strand (participates in β ladder)trans-97.4113.4168.900000109V39 R40V39-G261 WeakPolarHBondContact CG2-O 3.39Å; V39-G261 PolarHBondContact N-O 3.38Å; R40-G261 PolarHBondContact N-O 2.83Å; R40-G261 PolarHBondContact O-N 3.08Å
262I95Very high93.7Very high1 Ų134.3 Ų34.31%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-104132.8179.9-60.3167.2000108.9M36 T37 V38 T95 A98 L99 R198 I200 V260M36-I262 HydrophobicContact CB-CG2 3.72Å; M36-I262 HydrophobicContact CE-CG2 3.7Å; M36-I262 HydrophobicContact CG-CG2 4.45Å; M36-I262 HydrophobicContact SD-CG2 4.28Å; T37-I262 WeakPolarHBondContact O-CA 3.44Å; V38-I262 HydrophobicContact CG2-CD1 4.48Å; V38-I262 HydrophobicContact CG2-CG1 3.84Å; T95-I262 HydrophobicContact CG2-CD1 3.7Å; A98-I262 HydrophobicContact CB-CD1 3.99Å; A98-I262 HydrophobicContact CB-CG1 4.16Å; A98-I262 HydrophobicContact CB-CG2 3.6Å; L99-I262 HydrophobicContact CD2-CD1 4.32Å; R198-I262 HydrophobicContact CB-CB 4.31Å; R198-I262 WeakPolarHBondContact CB-O 3.36Å; R198-I262 PolarHBondContact N-O 3.37Å; R198-I262 PolarHBondContact O-N 2.91Å; I200-I262 HydrophobicContact CB-CD1 4.36Å; I200-I262 HydrophobicContact CG1-CD1 3.81Å; V260-I262 HydrophobicContact CG2-CD1 4.1Å; V260-I262 HydrophobicContact CG2-CG1 4.08Å
263Q91.8Very high94Very high39 Ų3926.8 Ų26.818%0.18214%0.137CC..EExtended strand (participates in β ladder)trans-135.9166.2171.571.2-178.519.200111.2M36 T37 V39 L197 P265M36-Q263 CarbonylContact C-O 3.55Å; M36-Q263 WeakPolarHBondContact CA-O 3.42Å; T37-Q263 PolarHBondContact N-O 2.82Å; T37-Q263 PolarHBondContact O-N 3.1Å; V39-Q263 HydrophobicContact CB-CG 4.21Å; V39-Q263 HydrophobicContact CG1-CG 3.6Å; V39-Q263 HydrophobicContact CG2-CB 4.32Å; V39-Q263 HydrophobicContact CG2-CG 3.6Å; L197-Q263 HydrophobicContact CD2-CB 3.71Å; L197-Q263 HydrophobicContact CD2-CG 4.14Å; Q263-P265 WeakPolarHBondContact O-CD 3.41Å
264D90.6Very high94.3Very high11 Ų1124.3 Ų24.36%0.05912%0.124CC..  trans-93.9105.4162.9-176.413.6000107.7K27 T32 T33 N34 R35 M36K27-D264 IonicContact NZ-OD2 3.8Å; T32-D264 WeakPolarHBondContact CB-OD1 3.43Å; T32-D264 WeakPolarHBondContact CB-OD2 3.4Å; T32-D264 VanDerWaalsContact OG1-CG 3.28Å; T32-D264 PolarHBondContact OG1-OD2 3Å; T33-D264 PolarHBondContact N-OD1 2.87Å; T33-D264 PolarHBondContact OG1-OD1 2.96Å; N34-D264 WeakPolarHBondContact CA-OD1 3.09Å; N34-D264 PolarHBondContact N-OD1 3.1Å; R35-D264 PolarHBondContact N-OD1 2.92Å; R35-D264 VanDerWaalsContact N-OD1 3.09Å; M36-D264 HydrophobicContact SD-CB 3.92Å
265P90.5Very high94.3Very high31 Ų3131.6 Ų31.620%0.20115%0.151CC..PPolyproline II helixtrans-69.1146.7-172.828.7-32.1000111.3T32 T33 R35 Q263T32-P265 VanDerWaalsContact CA-O 3.3Å; T32-P265 WeakPolarHBondContact CA-O 3.11Å; T32-P265 WeakPolarHBondContact CB-O 3.31Å; T33-P265 HydrophobicContact CG2-CG 4.27Å; T33-P265 PolarHBondContact N-O 3.28Å; T33-P265 WeakPolarHBondContact OG1-CG 3.32Å; R35-P265 WeakPolarHBondContact O-CD 3.28Å; Q263-P265 WeakPolarHBondContact O-CD 3.41Å
266V92.6Very high94.3Very high25 Ų2536 Ų3615%0.15217%0.17CC..BIsolated β-bridgetrans-68.5140.3171.5177.60000109.4T32 V270 P271 I298 Q301 C302T32-V266 HydrophobicContact CG2-CG2 4.33Å; V266-V270 HydrophobicContact CG1-CB 4.06Å; V266-V270 HydrophobicContact CG1-CG1 4.08Å; V266-P271 HydrophobicContact CG1-CG 4.44Å; V266-I298 HydrophobicContact CG2-CG2 3.75Å; V266-Q301 HydrophobicContact CG2-CB 3.98Å; V266-C302 WeakPolarHBondContact CG1-SG 3.33Å
267R91.8Very high94.2Very high25 Ų2536 Ų369%0.09417%0.17CC..PPolyproline II helixtrans-65.2139.9174.2-61.2172.8176.7-93.48.6109.9G29 L31 T32 T33 E269 V270 P271 D413G29-R267 PolarHBondContact O-NE 3.26Å; G29-R267 PolarHBondContact O-NH2 2.88Å; L31-R267 PolarHBondContact O-N 3.09Å; T32-R267 PolarHBondContact O-NE 3.4Å; T33-R267 HydrophobicContact CG2-CG 4.01Å; R267-E269 PolarHBondContact O-N 3.15Å; R267-E269 VanDerWaalsContact O-N 3.17Å; R267-V270 HydrophobicContact CB-CB 4.41Å; R267-V270 HydrophobicContact CB-CG2 3.71Å; R267-V270 HydrophobicContact CG-CG2 4.42Å; R267-V270 WeakPolarHBondContact O-CB 3.23Å; R267-V270 PolarHBondContact O-N 3.39Å; R267-V270 VanDerWaalsContact O-N 3.13Å; R267-P271 WeakPolarHBondContact O-CD 3.41Å; R267-D413 PolarHBondContact NH2-O 3.35Å
268H91.6Very high94.1Very high178 Ų17838.8 Ų38.882%0.82418%0.183SC*.THydrogen-bonded Turntrans-65.7-26.3-169.1-154.6-61.2000113.2
269E93.4Very high93.8Very high69 Ų6947.4 Ų47.432%0.32222%0.215SC..THydrogen-bonded Turntrans-83.4-18.8179.261.8-86.1-161.600114.3R267 D272 A273 N414 T416R267-E269 PolarHBondContact O-N 3.15Å; R267-E269 VanDerWaalsContact O-N 3.17Å; E269-D272 PolarHBondContact O-N 3.5Å; E269-A273 PolarHBondContact O-N 3.21Å; E269-A273 VanDerWaalsContact O-N 3.07Å; E269-N414 PolarHBondContact OE1-ND2 2.99Å; E269-T416 WeakPolarHBondContact CG-OG1 3.45Å
270V94.9Very high93.6Very high0 Ų047.3 Ų47.30%022%0.215CC..Hα-helixtrans-63.7-44.6-174.2162.70000113.3L31 V266 R267 D272 A273 I274 C302 F415L31-V270 HydrophobicContact CB-CG1 4.43Å; L31-V270 HydrophobicContact CD2-CG1 3.72Å; V266-V270 HydrophobicContact CG1-CB 4.06Å; V266-V270 HydrophobicContact CG1-CG1 4.08Å; R267-V270 HydrophobicContact CB-CB 4.41Å; R267-V270 HydrophobicContact CB-CG2 3.71Å; R267-V270 HydrophobicContact CG-CG2 4.42Å; R267-V270 WeakPolarHBondContact O-CB 3.23Å; R267-V270 PolarHBondContact O-N 3.39Å; R267-V270 VanDerWaalsContact O-N 3.13Å; V270-D272 VanDerWaalsContact C-N 3.26Å; V270-D272 PolarHBondContact O-N 3.35Å; V270-A273 PolarHBondContact O-N 3.25Å; V270-I274 HydrophobicContact CG1-CD1 3.55Å; V270-I274 HydrophobicContact CG1-CG1 4.28Å; V270-I274 WeakPolarHBondContact O-CG1 3.4Å; V270-I274 PolarHBondContact O-N 3.01Å; V270-C302 HydrophobicContact CG1-CB 4.31Å; V270-F415 HydrophobicContact CG2-CB 3.99Å
271P95.1Very high93.3Very high32 Ų3248.7 Ų48.721%0.20823%0.229CC..Hα-helixtrans-58.4-38.2178.3-25.434.8000113.1V266 R267 R275V266-P271 HydrophobicContact CG1-CG 4.44Å; R267-P271 WeakPolarHBondContact O-CD 3.41Å; P271-R275 WeakPolarHBondContact O-CG 2.98Å; P271-R275 PolarHBondContact O-N 2.98Å; P271-R275 VanDerWaalsContact O-N 3.08Å
272D95.3Very high93.2Very high85 Ų8548.7 Ų48.746%0.45523%0.229SC..Hα-helixtrans-71.1-42.3178.6-71.69000111.3E269 V270 I274 R275 K276E269-D272 PolarHBondContact O-N 3.5Å; V270-D272 VanDerWaalsContact C-N 3.26Å; V270-D272 PolarHBondContact O-N 3.35Å; D272-I274 VanDerWaalsContact C-N 3.35Å; D272-I274 PolarHBondContact O-N 2.84Å; D272-R275 PolarHBondContact O-N 3.11Å; D272-R275 IonicContact OD1-CZ 2.82Å; D272-R275 IonicContact OD1-NE 3.77Å; D272-R275 IonicContact OD1-NH2 2.86Å; D272-R275 PolarHBondContact OD1-NH2 2.77Å; D272-K276 WeakPolarHBondContact O-CG 3.46Å; D272-K276 PolarHBondContact O-N 2.8Å
273A94.7Very high93.2Very high4 Ų450.6 Ų50.63%0.03324%0.241CC..Hα-helixtrans-61.6-42176.100000111.9E269 V270 K276 C277 F415 V419E269-A273 PolarHBondContact O-N 3.21Å; E269-A273 VanDerWaalsContact O-N 3.07Å; V270-A273 PolarHBondContact O-N 3.25Å; A273-K276 WeakPolarHBondContact O-CB 3.48Å; A273-K276 PolarHBondContact O-N 2.72Å; A273-C277 PolarHBondContact O-N 3.22Å; A273-F415 HydrophobicContact CB-CD1 3.81Å; A273-F415 HydrophobicContact CB-CE1 4.37Å; A273-V419 HydrophobicContact CB-CG2 3.84Å
274I95.6Very high93.4Very high0 Ų048.8 Ų48.80%023%0.232CC..Hα-helixtrans-65.1-43.2176.5-71.9169.6000111L31 V270 D272 K276 C277 Q278 V284 C302 I304 F415L31-I274 HydrophobicContact CD2-CD1 4.14Å; V270-I274 HydrophobicContact CG1-CD1 3.55Å; V270-I274 HydrophobicContact CG1-CG1 4.28Å; V270-I274 WeakPolarHBondContact O-CG1 3.4Å; V270-I274 PolarHBondContact O-N 3.01Å; D272-I274 VanDerWaalsContact C-N 3.35Å; D272-I274 PolarHBondContact O-N 2.84Å; I274-K276 VanDerWaalsContact C-N 3.29Å; I274-K276 PolarHBondContact O-N 3.27Å; I274-C277 WeakPolarHBondContact O-CB 3.33Å; I274-C277 PolarHBondContact O-N 3.41Å; I274-C277 VanDerWaalsContact O-N 3.17Å; I274-Q278 HydrophobicContact CG2-CG 4.32Å; I274-Q278 WeakPolarHBondContact O-CG 3.34Å; I274-Q278 PolarHBondContact O-N 2.9Å; I274-V284 HydrophobicContact CG1-CG1 4.38Å; I274-V284 HydrophobicContact CG1-CG2 4.46Å; I274-V284 HydrophobicContact CG2-CB 4.4Å; I274-V284 HydrophobicContact CG2-CG2 4.31Å; I274-C302 HydrophobicContact CD1-CB 3.64Å; I274-C302 VanDerWaalsContact CD1-O 3.3Å; I274-C302 WeakPolarHBondContact CD1-O 3.37Å; I274-I304 HydrophobicContact CD1-CD1 4.21Å; I274-I304 HydrophobicContact CD1-CG1 3.82Å; I274-I304 HydrophobicContact CG2-CG1 4.37Å; I274-F415 HydrophobicContact CG1-CD1 4.18Å; I274-F415 HydrophobicContact CG1-CE1 3.72Å; I274-F415 HydrophobicContact CG1-CZ 4.18Å
275R94.2Very high93.7Very high152 Ų15248.5 Ų48.557%0.57423%0.23SC*.Hα-helixtrans-59.9-39.5174.1-74.1-172.5-68.7165.9-7.1112P271 D272 Q278 R279P271-R275 WeakPolarHBondContact O-CG 2.98Å; P271-R275 PolarHBondContact O-N 2.98Å; P271-R275 VanDerWaalsContact O-N 3.08Å; D272-R275 PolarHBondContact O-N 3.11Å; D272-R275 IonicContact OD1-CZ 2.82Å; D272-R275 IonicContact OD1-NE 3.77Å; D272-R275 IonicContact OD1-NH2 2.86Å; D272-R275 PolarHBondContact OD1-NH2 2.77Å; R275-Q278 PolarHBondContact O-N 3.3Å; R275-R279 WeakPolarHBondContact O-CB 3.46Å; R275-R279 PolarHBondContact O-N 2.84Å
276K93.9Very high94Very high93 Ų9347 Ų4740%0.40422%0.221SC..Hα-helixtrans-61.5-46173.5-74.2-177.2179-167.20111.5D272 A273 I274 R279 A280 V419 E489D272-K276 WeakPolarHBondContact O-CG 3.46Å; D272-K276 PolarHBondContact O-N 2.8Å; A273-K276 WeakPolarHBondContact O-CB 3.48Å; A273-K276 PolarHBondContact O-N 2.72Å; I274-K276 VanDerWaalsContact C-N 3.29Å; I274-K276 PolarHBondContact O-N 3.27Å; K276-R279 PolarHBondContact O-N 3.44Å; K276-A280 WeakPolarHBondContact O-CB 3.23Å; K276-A280 PolarHBondContact O-N 3.38Å; K276-V419 HydrophobicContact CB-CG1 4.16Å; K276-V419 HydrophobicContact CD-CG1 4.47Å; K276-E489 IonicContact NZ-OE1 3.78Å; K276-E489 PolarHBondContact NZ-OE1 2.79Å; K276-E489 VanDerWaalsContact NZ-OE1 3.11Å
277C94.1Very high94.2Very high1 Ų145.9 Ų45.91%0.00721%0.214CC..Hα-helixtrans-59-49.2174.6-79.60000112.5A273 I274 R279 A280 G281 I282 V284A273-C277 PolarHBondContact O-N 3.22Å; I274-C277 WeakPolarHBondContact O-CB 3.33Å; I274-C277 PolarHBondContact O-N 3.41Å; I274-C277 VanDerWaalsContact O-N 3.17Å; C277-R279 PolarHBondContact O-N 3.41Å; C277-A280 CarbonylContact O-C 3.21Å; C277-A280 WeakPolarHBondContact O-CA 3.45Å; C277-A280 WeakPolarHBondContact O-CB 3.44Å; C277-A280 PolarHBondContact O-N 2.94Å; C277-G281 PolarHBondContact O-N 3Å; C277-I282 CarbonylContact C-O 3.47Å; C277-I282 HydrophobicContact CB-CB 4.15Å; C277-I282 WeakPolarHBondContact O-CB 3.32Å; C277-I282 PolarHBondContact O-N 3.16Å; C277-V284 HydrophobicContact CB-CG2 3.85Å
278Q93Very high94.2Very high64 Ų6444.9 Ų44.930%0.29921%0.211SC..Hα-helixtrans-61.6-43.5-179.5-71.7168.9-15.800111.7I274 R275 A280 G281 I282 G303I274-Q278 HydrophobicContact CG2-CG 4.32Å; I274-Q278 WeakPolarHBondContact O-CG 3.34Å; I274-Q278 PolarHBondContact O-N 2.9Å; R275-Q278 PolarHBondContact O-N 3.3Å; Q278-A280 PolarHBondContact O-N 3.27Å; Q278-G281 PolarHBondContact O-N 3.48Å; Q278-I282 WeakPolarHBondContact CA-O 3.25Å; Q278-G303 PolarHBondContact NE2-O 3.2Å
279R92Very high94.2Very high183 Ų18338.9 Ų38.969%0.69120%0.197SC*.Hα-helixtrans-61-33.3173.6-173177.4-178.9177.52.6112.3R275 K276 C277 G281R275-R279 WeakPolarHBondContact O-CB 3.46Å; R275-R279 PolarHBondContact O-N 2.84Å; K276-R279 PolarHBondContact O-N 3.44Å; C277-R279 PolarHBondContact O-N 3.41Å; R279-G281 PolarHBondContact O-N 3.28Å
280A91.6Very high94.1Very high0 Ų037.8 Ų37.80%019%0.193CC..THydrogen-bonded Turntrans-75.32.3174.900000114.2K276 C277 Q278 I282 R426 L492K276-A280 WeakPolarHBondContact O-CB 3.23Å; K276-A280 PolarHBondContact O-N 3.38Å; C277-A280 CarbonylContact O-C 3.21Å; C277-A280 WeakPolarHBondContact O-CA 3.45Å; C277-A280 WeakPolarHBondContact O-CB 3.44Å; C277-A280 PolarHBondContact O-N 2.94Å; Q278-A280 PolarHBondContact O-N 3.27Å; A280-I282 HydrophobicContact CB-CD1 4.49Å; A280-I282 HydrophobicContact CB-CG1 4.36Å; A280-R426 PolarHBondContact O-NH2 3.18Å; A280-L492 WeakPolarHBondContact CA-O 3.5Å; A280-L492 HydrophobicContact CB-CB 4.24Å; A280-L492 HydrophobicContact CB-CD2 4.16Å; A280-L492 VanDerWaalsContact CB-O 3.25Å; A280-L492 WeakPolarHBondContact CB-O 3.48Å; A280-L492 PolarHBondContact N-O 2.9Å
281G91.7Very high93.8Very high29 Ų2940.7 Ų40.730%0.29921%0.209SC..THydrogen-bonded Turntrans81.119.1-178.200000113.9C277 Q278 R279C277-G281 PolarHBondContact O-N 3Å; Q278-G281 PolarHBondContact O-N 3.48Å; R279-G281 PolarHBondContact O-N 3.28Å
282I94.7Very high93.6Very high1 Ų140.1 Ų40.11%0.00521%0.205CC..  trans-102.7122-179.9-51.4-177.6000109.4A20 T21 I23 C277 Q278 A280 V284 V422A20-I282 WeakPolarHBondContact O-CG1 3.25Å; T21-I282 CarbonylContact O-C 3.58Å; T21-I282 WeakPolarHBondContact O-CA 3.44Å; I23-I282 HydrophobicContact CB-CG2 4.46Å; I23-I282 HydrophobicContact CD1-CG2 3.68Å; I23-I282 HydrophobicContact CG1-CG2 3.69Å; C277-I282 CarbonylContact C-O 3.47Å; C277-I282 HydrophobicContact CB-CB 4.15Å; C277-I282 WeakPolarHBondContact O-CB 3.32Å; C277-I282 PolarHBondContact O-N 3.16Å; Q278-I282 WeakPolarHBondContact CA-O 3.25Å; A280-I282 HydrophobicContact CB-CD1 4.49Å; A280-I282 HydrophobicContact CB-CG1 4.36Å; I282-V284 PolarHBondContact O-N 3.36Å; I282-V422 HydrophobicContact CD1-CB 4.43Å; I282-V422 HydrophobicContact CD1-CG1 3.78Å; I282-V422 HydrophobicContact CD1-CG2 3.8Å
283T94.5Very high93.2Very high40 Ų4039.2 Ų39.225%0.24520%0.2CC..EExtended strand (participates in β ladder)trans-86.9112175.4-55.50000110T21 V22 I23 R285 R343T21-T283 PolarHBondContact O-N 3.09Å; V22-T283 WeakPolarHBondContact CA-O 3.11Å; I23-T283 PolarHBondContact N-O 3.09Å; T283-R285 HydrophobicContact CG2-CG 4.33Å; T283-R285 VanDerWaalsContact CG2-NH1 3.26Å; T283-R343 VanDerWaalsContact CG2-CZ 3.47Å
284V96.4Very high93Very high1 Ų140.8 Ų40.81%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-82.7132.9172.5-174.30000109.4I23 I274 C277 I282 I304 F415I23-V284 HydrophobicContact CB-CG2 4.5Å; I23-V284 CarbonylContact O-C 3.54Å; I23-V284 WeakPolarHBondContact O-CA 3.34Å; I274-V284 HydrophobicContact CG1-CG1 4.38Å; I274-V284 HydrophobicContact CG1-CG2 4.46Å; I274-V284 HydrophobicContact CG2-CB 4.4Å; I274-V284 HydrophobicContact CG2-CG2 4.31Å; C277-V284 HydrophobicContact CB-CG2 3.85Å; I282-V284 PolarHBondContact O-N 3.36Å; V284-I304 HydrophobicContact CG1-CD1 4.15Å; V284-I304 HydrophobicContact CG1-CG1 4.24Å; V284-F415 HydrophobicContact CG1-CE2 4.34Å; V284-F415 HydrophobicContact CG1-CZ 4.02Å; V284-F415 HydrophobicContact CG2-CZ 3.98Å
285R96.6Very high92.8Very high5 Ų540.8 Ų40.82%0.01921%0.209CC..EExtended strand (participates in β ladder)trans-127.2139176.7-64.3-179.8168.378.5-2.3108.9V22 I23 C24 S25 T283 W339 L342 R343V22-R285 VanDerWaalsContact CG2-NH1 3.34Å; I23-R285 PolarHBondContact O-N 3.24Å; C24-R285 CarbonylContact C-O 3.46Å; C24-R285 WeakPolarHBondContact CA-O 3.24Å; S25-R285 PolarHBondContact N-O 2.96Å; T283-R285 HydrophobicContact CG2-CG 4.33Å; T283-R285 VanDerWaalsContact CG2-NH1 3.26Å; R285-W339 PolarHBondContact NE-O 2.78Å; R285-W339 PolarHBondContact NH2-O 2.82Å; R285-L342 PolarHBondContact NE-O 2.9Å; R285-R343 CarbonylContact C-O 3.56Å; R285-R343 VanDerWaalsContact CA-O 3.25Å; R285-R343 WeakPolarHBondContact CA-O 3.38Å
286M96.6Very high92.7Very high0 Ų037.9 Ų37.90%020%0.198CC..EExtended strand (participates in β ladder)trans-96.3129.2173.9-174.5-173.1-75.100109.7S25 K27 L31 T288 A295 I298 A299 I304 R343 V344 L345S25-M286 WeakPolarHBondContact O-CA 3.38Å; K27-M286 HydrophobicContact CB-CG 4.33Å; K27-M286 HydrophobicContact CB-SD 4.22Å; K27-M286 HydrophobicContact CG-CE 4.24Å; K27-M286 HydrophobicContact CG-SD 4.2Å; L31-M286 HydrophobicContact CD1-CE 3.46Å; L31-M286 VanDerWaalsContact CD1-CE 3.46Å; L31-M286 HydrophobicContact CD1-CG 4.27Å; M286-T288 HydrophobicContact CG-CG2 4.29Å; M286-T288 HydrophobicContact SD-CG2 4.15Å; M286-A295 HydrophobicContact SD-CB 4.48Å; M286-I298 HydrophobicContact CE-CB 4.14Å; M286-I298 HydrophobicContact CE-CG2 3.56Å; M286-A299 HydrophobicContact CE-CB 4.17Å; M286-A299 HydrophobicContact SD-CB 4.47Å; M286-I304 HydrophobicContact CB-CD1 3.98Å; M286-I304 HydrophobicContact CE-CD1 4.04Å; M286-R343 PolarHBondContact N-O 3.35Å; M286-V344 HydrophobicContact CB-CG2 4.23Å; M286-V344 CarbonylContact O-C 3.41Å; M286-V344 VanDerWaalsContact O-CA 3.31Å; M286-V344 WeakPolarHBondContact O-CA 3.39Å; M286-L345 PolarHBondContact O-N 2.97Å
287V95.9Very high92.4Very high2 Ų234.1 Ų34.11%0.01219%0.185CC..EExtended strand (participates in β ladder)trans-123.5112.5173.2-174.50000107.8C24 S25 L345 S348 K353 L356C24-V287 HydrophobicContact CB-CG2 4.27Å; S25-V287 PolarHBondContact O-N 3.31Å; V287-L345 WeakPolarHBondContact CA-O 3.17Å; V287-L345 HydrophobicContact CG1-CB 4.25Å; V287-L345 HydrophobicContact CG1-CD2 4.1Å; V287-L345 HydrophobicContact CG2-CB 4.38Å; V287-S348 WeakPolarHBondContact CG1-OG 3.44Å; V287-K353 HydrophobicContact CG1-CB 4.04Å; V287-K353 HydrophobicContact CG1-CD 4.29Å; V287-K353 HydrophobicContact CG1-CG 3.88Å; V287-L356 HydrophobicContact CG2-CD2 3.89Å
288T93.5Very high92.3Very high3 Ų334.5 Ų34.52%0.01819%0.187CC..  trans-140.1151.2-171179.90000112.4M286 D290 A295 L345 A346 R347 S348M286-T288 HydrophobicContact CG-CG2 4.29Å; M286-T288 HydrophobicContact SD-CG2 4.15Å; T288-D290 HydrophobicContact CG2-CB 4.09Å; T288-D290 PolarHBondContact O-N 3.45Å; T288-D290 PolarHBondContact OG1-N 2.95Å; T288-D290 VanDerWaalsContact OG1-N 3.11Å; T288-D290 PolarHBondContact OG1-OD2 3.41Å; T288-A295 HydrophobicContact CG2-CB 3.66Å; T288-L345 PolarHBondContact N-O 3.3Å; T288-A346 CarbonylContact O-C 3.38Å; T288-A346 VanDerWaalsContact O-C 3.31Å; T288-A346 WeakPolarHBondContact O-CA 3.15Å; T288-R347 PolarHBondContact O-N 3.46Å; T288-S348 PolarHBondContact O-N 3.15Å; T288-S348 PolarHBondContact O-OG 3.41Å
289G91.2Very high92.4Very high53 Ų5331.5 Ų31.555%0.54617%0.172SC..SBendtrans-75.2-8.1169.300000114.4
290D89.8Confident92.4Very high45 Ų4527.3 Ų27.324%0.24116%0.162CC..SBendtrans-69162.6-178.7-77.3-43.5000113.6K27 T288 A346 R347K27-D290 WeakPolarHBondContact CD-OD2 3.41Å; K27-D290 WeakPolarHBondContact CE-OD2 3.28Å; K27-D290 IonicContact NZ-OD2 2.8Å; K27-D290 PolarHBondContact NZ-OD2 3.47Å; T288-D290 HydrophobicContact CG2-CB 4.09Å; T288-D290 PolarHBondContact O-N 3.45Å; T288-D290 PolarHBondContact OG1-N 2.95Å; T288-D290 VanDerWaalsContact OG1-N 3.11Å; T288-D290 PolarHBondContact OG1-OD2 3.41Å; D290-A346 WeakPolarHBondContact O-CB 3.35Å; D290-R347 PolarHBondContact O-N 3.17Å
291N88.9Confident92.4Very high62 Ų6231.5 Ų31.533%0.33218%0.181SC..  trans-62.2145170.7-173.9-34.6000110.7N293 T294 A295N291-N293 PolarHBondContact O-N 2.89Å; N291-N293 VanDerWaalsContact O-N 3.14Å; N291-N293 PolarHBondContact OD1-N 3.11Å; N291-N293 VanDerWaalsContact OD1-N 3.16Å; N291-T294 PolarHBondContact O-N 2.72Å; N291-T294 VanDerWaalsContact O-N 3.15Å; N291-A295 WeakPolarHBondContact O-CB 3.26Å; N291-A295 PolarHBondContact O-N 3.21Å
292V90.8Very high92.5Very high19 Ų1930.1 Ų30.112%0.11517%0.167CC..Hα-helixtrans-44.1-43.4174.51750000113.7A295 R296 I313 E315 A346V292-A295 PolarHBondContact O-N 3.32Å; V292-R296 WeakPolarHBondContact O-CB 3.14Å; V292-R296 PolarHBondContact O-N 3.11Å; V292-I313 HydrophobicContact CG1-CG2 3.93Å; V292-E315 HydrophobicContact CG2-CB 4.47Å; V292-E315 HydrophobicContact CG2-CG 3.09Å; V292-E315 WeakPolarHBondContact CG2-OE1 3.2Å; V292-A346 HydrophobicContact CB-CB 4.34Å; V292-A346 HydrophobicContact CG2-CB 3.73Å
293N88.5Confident92.4Very high67 Ų6731.1 Ų31.136%0.35818%0.178SC..Hα-helixtrans-66.7-46.6-176.3-67.3-19.3000111.6N291 R296 A297N291-N293 PolarHBondContact O-N 2.89Å; N291-N293 VanDerWaalsContact O-N 3.14Å; N291-N293 PolarHBondContact OD1-N 3.11Å; N291-N293 VanDerWaalsContact OD1-N 3.16Å; N293-R296 PolarHBondContact O-N 3.46Å; N293-R296 PolarHBondContact OD1-NH1 3.36Å; N293-A297 WeakPolarHBondContact O-CB 3.46Å; N293-A297 PolarHBondContact O-N 3.5Å
294T88.7Confident92.4Very high37 Ų3729.3 Ų29.323%0.22717%0.167CC..Hα-helixtrans-63.1-45.6174-56.10000111.4G196 N291 R296 A297 I298G196-T294 PolarHBondContact O-OG1 3.41Å; G196-T294 VanDerWaalsContact O-OG1 3.13Å; N291-T294 PolarHBondContact O-N 2.72Å; N291-T294 VanDerWaalsContact O-N 3.15Å; T294-R296 VanDerWaalsContact C-N 3.34Å; T294-R296 PolarHBondContact O-N 3.38Å; T294-A297 PolarHBondContact O-N 2.71Å; T294-I298 HydrophobicContact CG2-CD1 3.72Å; T294-I298 HydrophobicContact CG2-CG1 4.46Å; T294-I298 VanDerWaalsContact O-CG1 3.27Å; T294-I298 WeakPolarHBondContact O-CG1 3.44Å; T294-I298 PolarHBondContact O-N 2.73Å
295A91.9Very high92.2Very high0 Ų030 Ų300%017%0.171CC..Hα-helixtrans-62-41.6178.900000112M286 T288 N291 V292 A299 V344 A346M286-A295 HydrophobicContact SD-CB 4.48Å; T288-A295 HydrophobicContact CG2-CB 3.66Å; N291-A295 WeakPolarHBondContact O-CB 3.26Å; N291-A295 PolarHBondContact O-N 3.21Å; V292-A295 PolarHBondContact O-N 3.32Å; A295-A299 WeakPolarHBondContact O-CB 3.33Å; A295-A299 PolarHBondContact O-N 3.32Å; A295-V344 HydrophobicContact CB-CG1 3.75Å; A295-A346 HydrophobicContact CB-CB 3.98Å
296R91.8Very high91.7Very high90 Ų9035.4 Ų35.434%0.3420%0.196SC..Hα-helixtrans-61.8-50.2175.5178.9-175.6-60.9112-1.3111.2V292 N293 T294 I298 A299 M300 I313V292-R296 WeakPolarHBondContact O-CB 3.14Å; V292-R296 PolarHBondContact O-N 3.11Å; N293-R296 PolarHBondContact O-N 3.46Å; N293-R296 PolarHBondContact OD1-NH1 3.36Å; T294-R296 VanDerWaalsContact C-N 3.34Å; T294-R296 PolarHBondContact O-N 3.38Å; R296-I298 VanDerWaalsContact C-N 3.33Å; R296-I298 PolarHBondContact O-N 2.85Å; R296-A299 PolarHBondContact O-N 3.28Å; R296-M300 HydrophobicContact CG-SD 3.85Å; R296-M300 WeakPolarHBondContact O-CB 3.28Å; R296-M300 WeakPolarHBondContact O-CG 3.36Å; R296-M300 PolarHBondContact O-N 2.88Å; R296-I313 HydrophobicContact CB-CD1 3.95Å; R296-I313 HydrophobicContact CG-CD1 3.67Å
297A89.5Confident90.9Very high14 Ų1441.2 Ų41.212%0.11623%0.234CC..Hα-helixtrans-59.2-45.1-179.100000111.6D195 N293 T294 M300 Q301D195-A297 WeakPolarHBondContact O-CB 3.07Å; N293-A297 WeakPolarHBondContact O-CB 3.46Å; N293-A297 PolarHBondContact O-N 3.5Å; T294-A297 PolarHBondContact O-N 2.71Å; A297-M300 PolarHBondContact O-N 3.01Å; A297-Q301 WeakPolarHBondContact O-CG 3.46Å; A297-Q301 PolarHBondContact O-N 3.42Å
298I92Very high90.1Very high10 Ų1045.3 Ų45.35%0.05128%0.277CS..Hα-helixtrans-69.2-42.5179.2-63.3174.6000110.8K27 T32 V266 M286 T294 R296 M300 Q301 C302K27-I298 HydrophobicContact CD-CD1 3.62Å; K27-I298 HydrophobicContact CG-CD1 4.31Å; K27-I298 HydrophobicContact CG-CG2 4.16Å; T32-I298 HydrophobicContact CG2-CD1 4.32Å; T32-I298 HydrophobicContact CG2-CG2 3.95Å; V266-I298 HydrophobicContact CG2-CG2 3.75Å; M286-I298 HydrophobicContact CE-CB 4.14Å; M286-I298 HydrophobicContact CE-CG2 3.56Å; T294-I298 HydrophobicContact CG2-CD1 3.72Å; T294-I298 HydrophobicContact CG2-CG1 4.46Å; T294-I298 VanDerWaalsContact O-CG1 3.27Å; T294-I298 WeakPolarHBondContact O-CG1 3.44Å; T294-I298 PolarHBondContact O-N 2.73Å; R296-I298 VanDerWaalsContact C-N 3.33Å; R296-I298 PolarHBondContact O-N 2.85Å; I298-M300 VanDerWaalsContact C-N 3.28Å; I298-M300 PolarHBondContact O-N 3.16Å; I298-Q301 PolarHBondContact O-N 3.44Å; I298-Q301 VanDerWaalsContact O-N 3.17Å; I298-C302 WeakPolarHBondContact O-CB 3.28Å; I298-C302 PolarHBondContact O-N 3.43Å; I298-C302 PolarHBondContact O-SG 3.17Å
299A93.7Very high89.6Confident0 Ų047 Ų470%029%0.288CS..Hα-helixtrans-62.6-34.8177.300000112.8M286 A295 R296 G303 I304 I305 V344M286-A299 HydrophobicContact CE-CB 4.17Å; M286-A299 HydrophobicContact SD-CB 4.47Å; A295-A299 WeakPolarHBondContact O-CB 3.33Å; A295-A299 PolarHBondContact O-N 3.32Å; R296-A299 PolarHBondContact O-N 3.28Å; A299-G303 PolarHBondContact O-N 2.79Å; A299-I304 HydrophobicContact CB-CB 4.18Å; A299-I304 WeakPolarHBondContact O-CB 3.45Å; A299-I304 PolarHBondContact O-N 3.24Å; A299-I305 HydrophobicContact CB-CD1 3.96Å; A299-I305 HydrophobicContact CB-CG1 4.1Å; A299-I305 PolarHBondContact O-N 3.36Å; A299-V344 HydrophobicContact CB-CG2 3.42Å; A299-V344 VanDerWaalsContact CB-CG2 3.42Å
300M92.1Very high89.3Confident95 Ų9550 Ų5047%0.46829%0.292SS..Hα-helixtrans-67.3-45.5171.9-73.9167.862.300111.5R296 A297 I298 C302 G303 I305R296-M300 HydrophobicContact CG-SD 3.85Å; R296-M300 WeakPolarHBondContact O-CB 3.28Å; R296-M300 WeakPolarHBondContact O-CG 3.36Å; R296-M300 PolarHBondContact O-N 2.88Å; A297-M300 PolarHBondContact O-N 3.01Å; I298-M300 VanDerWaalsContact C-N 3.28Å; I298-M300 PolarHBondContact O-N 3.16Å; M300-C302 VanDerWaalsContact C-N 3.31Å; M300-C302 PolarHBondContact O-N 3.01Å; M300-G303 PolarHBondContact O-N 2.86Å; M300-G303 VanDerWaalsContact O-N 3.1Å; M300-I305 HydrophobicContact CG-CB 4.28Å; M300-I305 HydrophobicContact CG-CG2 4.41Å
301Q91.5Very high89.3Confident88 Ų8851.1 Ų51.141%0.41130%0.295SS..Hα-helixtrans-61.8-38.2176.9-72.3175.816.900112.5V266 A297 I298 G303V266-Q301 HydrophobicContact CG2-CB 3.98Å; A297-Q301 WeakPolarHBondContact O-CG 3.46Å; A297-Q301 PolarHBondContact O-N 3.42Å; I298-Q301 PolarHBondContact O-N 3.44Å; I298-Q301 VanDerWaalsContact O-N 3.17Å; Q301-G303 VanDerWaalsContact C-N 3.26Å; Q301-G303 PolarHBondContact O-N 2.89Å
302C93.7Very high89.5Confident0 Ų049.9 Ų49.90%029%0.288CS..THydrogen-bonded Turntrans-72.4-13.2176-70.60000114V266 V270 I274 I298 M300 I304V266-C302 WeakPolarHBondContact CG1-SG 3.33Å; V270-C302 HydrophobicContact CG1-CB 4.31Å; I274-C302 HydrophobicContact CD1-CB 3.64Å; I274-C302 VanDerWaalsContact CD1-O 3.3Å; I274-C302 WeakPolarHBondContact CD1-O 3.37Å; I298-C302 WeakPolarHBondContact O-CB 3.28Å; I298-C302 PolarHBondContact O-N 3.43Å; I298-C302 PolarHBondContact O-SG 3.17Å; M300-C302 VanDerWaalsContact C-N 3.31Å; M300-C302 PolarHBondContact O-N 3.01Å; C302-I304 VanDerWaalsContact C-N 3.31Å; C302-I304 HydrophobicContact CB-CD1 4.15Å; C302-I304 HydrophobicContact CB-CG1 3.97Å; C302-I304 PolarHBondContact O-N 2.77Å
303G92.8Very high89.6Confident23 Ų2350.9 Ų50.924%0.23729%0.292CS..THydrogen-bonded Turntrans73.119-172.500000114.4Q278 A299 M300 Q301 I305Q278-G303 PolarHBondContact NE2-O 3.2Å; A299-G303 PolarHBondContact O-N 2.79Å; M300-G303 PolarHBondContact O-N 2.86Å; M300-G303 VanDerWaalsContact O-N 3.1Å; Q301-G303 VanDerWaalsContact C-N 3.26Å; Q301-G303 PolarHBondContact O-N 2.89Å; G303-I305 VanDerWaalsContact C-N 3.32Å
304I94.5Very high90Very high2 Ų248 Ų481%0.0128%0.277CS..SBendtrans-71.2-35.1171.4-63.2176.9000110.1L31 I274 V284 M286 A299 C302 R343L31-I304 HydrophobicContact CD1-CD1 4.02Å; I274-I304 HydrophobicContact CD1-CD1 4.21Å; I274-I304 HydrophobicContact CD1-CG1 3.82Å; I274-I304 HydrophobicContact CG2-CG1 4.37Å; V284-I304 HydrophobicContact CG1-CD1 4.15Å; V284-I304 HydrophobicContact CG1-CG1 4.24Å; M286-I304 HydrophobicContact CB-CD1 3.98Å; M286-I304 HydrophobicContact CE-CD1 4.04Å; A299-I304 HydrophobicContact CB-CB 4.18Å; A299-I304 WeakPolarHBondContact O-CB 3.45Å; A299-I304 PolarHBondContact O-N 3.24Å; C302-I304 VanDerWaalsContact C-N 3.31Å; C302-I304 HydrophobicContact CB-CD1 4.15Å; C302-I304 HydrophobicContact CB-CG1 3.97Å; C302-I304 PolarHBondContact O-N 2.77Å; I304-R343 HydrophobicContact CG2-CB 4.14Å
305I92Very high90.3Very high16 Ų1648.8 Ų48.88%0.08228%0.278CS..SBendtrans-117.1125.6176.5-59.6-179.5000108.3A299 M300 G303 I313 R343 V344A299-I305 HydrophobicContact CB-CD1 3.96Å; A299-I305 HydrophobicContact CB-CG1 4.1Å; A299-I305 PolarHBondContact O-N 3.36Å; M300-I305 HydrophobicContact CG-CB 4.28Å; M300-I305 HydrophobicContact CG-CG2 4.41Å; G303-I305 VanDerWaalsContact C-N 3.32Å; I305-I313 HydrophobicContact CD1-CD1 3.47Å; I305-I313 VanDerWaalsContact CD1-CD1 3.47Å; I305-I313 HydrophobicContact CD1-CG1 3.59Å; I305-R343 HydrophobicContact CG1-CB 4.1Å; I305-V344 HydrophobicContact CD1-CG2 3.66Å; I305-V344 HydrophobicContact CG1-CG2 4.26Å
306E85.7Confident90.4Very high117 Ų11748.9 Ų48.955%0.54728%0.278SS..  trans-84.5140.6172.4-66.1177.4174.700110.1G308 S309E306-G308 PolarHBondContact O-N 3.06Å; E306-S309 WeakPolarHBondContact O-CB 3.07Å; E306-S309 PolarHBondContact O-N 2.91Å; E306-S309 VanDerWaalsContact O-N 3.09Å; E306-S309 PolarHBondContact O-OG 3.35Å
307P80.5Confident90.4Very high122 Ų12254.6 Ų54.679%0.79230%0.3SS*.THydrogen-bonded Turntrans-55.6125.1174.8-23.533.2000111.4S309P307-S309 VanDerWaalsContact C-N 3.35Å
308G79.2Confident90.7Very high89 Ų8957.5 Ų57.592%0.91831%0.314SS*.THydrogen-bonded Turntrans83.12.2-18000000115.6E306E306-G308 PolarHBondContact O-N 3.06Å
309S83.2Confident90.8Very high37 Ų3757 Ų5726%0.25931%0.311SS..  trans-71.1146174.160.50000112.5E306 P307 F311E306-S309 WeakPolarHBondContact O-CB 3.07Å; E306-S309 PolarHBondContact O-N 2.91Å; E306-S309 VanDerWaalsContact O-N 3.09Å; E306-S309 PolarHBondContact O-OG 3.35Å; P307-S309 VanDerWaalsContact C-N 3.35Å; S309-F311 PolarHBondContact O-N 3.23Å; S309-F311 VanDerWaalsContact O-N 3.09Å; S309-F311 WeakPolarHBondContact OG-CD2 3.22Å
310D84.6Confident90.8Very high117 Ų11758.2 Ų58.263%0.62632%0.317SS*.  trans-8331.8177.3-167.224000112.4R341D310-R341 PolarHBondContact O-NE 3.41Å; D310-R341 PolarHBondContact O-NH2 3.3Å; D310-R341 IonicContact OD1-CZ 2.7Å; D310-R341 IonicContact OD1-NH2 2.62Å; D310-R341 PolarHBondContact OD1-NH2 3.23Å; D310-R341 IonicContact OD2-CZ 3.76Å; D310-R341 IonicContact OD2-NE 2.77Å; D310-R341 IonicContact OD2-NH1 3.38Å; D310-R341 PolarHBondContact OD2-NH1 3.07Å; D310-R341 IonicContact OD2-NH2 3.2Å; D310-R341 PolarHBondContact OD2-NH2 2.92Å
311F90.5Very high90.9Very high69 Ų6957.3 Ų57.330%0.30333%0.326SS..  trans-77.1143.5-179.5-65.3-41.2000111.6S309 R343S309-F311 PolarHBondContact O-N 3.23Å; S309-F311 VanDerWaalsContact O-N 3.09Å; S309-F311 WeakPolarHBondContact OG-CD2 3.22Å; F311-R343 HydrophobicContact CB-CB 4.21Å; F311-R343 HydrophobicContact CB-CG 3.58Å; F311-R343 HydrophobicContact CD1-CG 3.97Å; F311-R343 HydrophobicContact CD2-CG 3.87Å; F311-R343 VanDerWaalsContact CE1-NH2 3.32Å; F311-R343 HydrophobicContact CG-CG 3.54Å
312L92Very high91Very high35 Ų3559.3 Ų59.318%0.18333%0.329CS..EExtended strand (participates in β ladder)trans-85.5132.8-178.8-63.9174.8000110.8V338 R341 L342 R343L312-V338 HydrophobicContact CD1-CG1 4.48Å; L312-R341 HydrophobicContact CB-CB 4.47Å; L312-R341 HydrophobicContact CD1-CB 3.77Å; L312-R341 HydrophobicContact CG-CB 3.82Å; L312-R341 PolarHBondContact N-O 2.9Å; L312-L342 HydrophobicContact CB-CD1 4.36Å; L312-R343 PolarHBondContact O-N 3.16Å
313I94Very high90.9Very high41 Ų4159.3 Ų59.321%0.2133%0.329CS..EExtended strand (participates in β ladder)trans-116.7119.2166.8-55173.2000106V292 R296 I305 V344V292-I313 HydrophobicContact CG1-CG2 3.93Å; R296-I313 HydrophobicContact CB-CD1 3.95Å; R296-I313 HydrophobicContact CG-CD1 3.67Å; I305-I313 HydrophobicContact CD1-CD1 3.47Å; I305-I313 VanDerWaalsContact CD1-CD1 3.47Å; I305-I313 HydrophobicContact CD1-CG1 3.59Å; I313-V344 WeakPolarHBondContact CA-O 3.32Å; I313-V344 HydrophobicContact CB-CB 4.43Å; I313-V344 HydrophobicContact CG1-CB 4.22Å; I313-V344 HydrophobicContact CG2-CB 3.98Å; I313-V344 HydrophobicContact CG2-CG1 4.03Å
314L95.5Very high90.8Very high7 Ų762.9 Ų62.94%0.03734%0.335CS..EExtended strand (participates in β ladder)trans-124.3148.7-178.2-64.3179.2000110.7D318 F319 V338 L342 V344 L345 A346L314-D318 HydrophobicContact CD2-CB 4.4Å; L314-F319 HydrophobicContact CB-CB 4.39Å; L314-F319 HydrophobicContact CD1-CB 4.44Å; L314-F319 HydrophobicContact CD1-CD2 4.47Å; L314-V338 HydrophobicContact CD1-CG1 3.57Å; L314-L342 HydrophobicContact CB-CD1 4Å; L314-L342 HydrophobicContact CD1-CD1 3.96Å; L314-L342 HydrophobicContact CG-CD1 3.89Å; L314-V344 PolarHBondContact N-O 3.37Å; L314-L345 HydrophobicContact CB-CD1 4.31Å; L314-L345 CarbonylContact O-C 3.56Å; L314-L345 WeakPolarHBondContact O-CA 3.37Å; L314-A346 PolarHBondContact O-N 3.03Å
315E95.6Very high90.5Very high53 Ų5364.9 Ų64.925%0.24835%0.346CS..EExtended strand (participates in β ladder)trans-80.8155.2161.5-68.2-162.1160.900110.7V292 R317 D318 F319 A346 R347V292-E315 HydrophobicContact CG2-CB 4.47Å; V292-E315 HydrophobicContact CG2-CG 3.09Å; V292-E315 WeakPolarHBondContact CG2-OE1 3.2Å; E315-R317 PolarHBondContact O-N 3.39Å; E315-R317 VanDerWaalsContact O-N 3.15Å; E315-D318 PolarHBondContact O-N 3.37Å; E315-F319 WeakPolarHBondContact O-CB 3.42Å; E315-F319 PolarHBondContact O-N 2.95Å; E315-A346 CarbonylContact C-O 3.53Å; E315-A346 VanDerWaalsContact CA-O 3.28Å; E315-A346 WeakPolarHBondContact CA-O 3.35Å; E315-R347 IonicContact OE1-NE 2.62Å
316G93.5Very high90.2Very high1 Ų174.1 Ų74.11%0.0139%0.386CS..Hα-helixtrans-50.5-38.6174.100000112.9N320 A346G316-N320 WeakPolarHBondContact O-CB 3.41Å; G316-N320 PolarHBondContact O-N 3.42Å; G316-N320 PolarHBondContact O-ND2 2.8Å; G316-A346 PolarHBondContact N-O 3.37Å
317R93.6Very high90.1Very high210 Ų21077.4 Ų77.479%0.79240%0.398SS*.Hα-helixtrans-62.7-49.2176.1-172.6-178.7-178.3-175.60.3112.5E315 N320 A321E315-R317 PolarHBondContact O-N 3.39Å; E315-R317 VanDerWaalsContact O-N 3.15Å; R317-N320 PolarHBondContact O-N 3.47Å; R317-A321 WeakPolarHBondContact O-CB 3.39Å; R317-A321 PolarHBondContact O-N 3.16Å
318D94.2Very high90.2Very high75 Ų7573.3 Ų73.340%0.40138%0.378SS..Hα-helixtrans-69.7-36.5-178.7-64.1-26000111.9L314 E315 A321 R322L314-D318 HydrophobicContact CD2-CB 4.4Å; E315-D318 PolarHBondContact O-N 3.37Å; D318-A321 PolarHBondContact O-N 3.41Å; D318-R322 VanDerWaalsContact O-CG 3.27Å; D318-R322 WeakPolarHBondContact O-CG 3.26Å; D318-R322 PolarHBondContact O-N 3.32Å; D318-R322 VanDerWaalsContact O-N 3.09Å
319F95.3Very high90.7Very high0 Ų075.7 Ų75.70%037%0.365CS..Hα-helixtrans-59.6-51.5172.8173.6-111.3000110.9L314 E315 A321 R322 I323 L335 V338 L342 L345 D352 L356L314-F319 HydrophobicContact CB-CB 4.39Å; L314-F319 HydrophobicContact CD1-CB 4.44Å; L314-F319 HydrophobicContact CD1-CD2 4.47Å; E315-F319 WeakPolarHBondContact O-CB 3.42Å; E315-F319 PolarHBondContact O-N 2.95Å; F319-A321 VanDerWaalsContact C-N 3.3Å; F319-A321 PolarHBondContact O-N 2.87Å; F319-R322 PolarHBondContact O-N 3.27Å; F319-R322 VanDerWaalsContact O-N 3.13Å; F319-I323 HydrophobicContact CD1-CD1 3.93Å; F319-I323 HydrophobicContact CD2-CG2 4.1Å; F319-I323 HydrophobicContact CE1-CD1 3.46Å; F319-I323 VanDerWaalsContact CE1-CD1 3.46Å; F319-I323 HydrophobicContact CE2-CD1 4.13Å; F319-I323 HydrophobicContact CE2-CG2 3.84Å; F319-I323 HydrophobicContact CG-CD1 4.46Å; F319-I323 HydrophobicContact CZ-CD1 3.57Å; F319-I323 HydrophobicContact CZ-CG2 4.3Å; F319-I323 WeakPolarHBondContact O-CG1 3.46Å; F319-I323 WeakPolarHBondContact O-CG2 3.49Å; F319-I323 PolarHBondContact O-N 2.8Å; F319-I323 VanDerWaalsContact O-N 3.16Å; F319-L335 HydrophobicContact CE2-CD1 3.59Å; F319-L335 HydrophobicContact CZ-CD1 3.63Å; F319-V338 HydrophobicContact CD2-CG1 4.4Å; F319-L342 HydrophobicContact CD2-CD2 4.29Å; F319-L342 HydrophobicContact CE2-CD2 4.25Å; F319-L345 HydrophobicContact CB-CD1 3.52Å; F319-L345 HydrophobicContact CD1-CD1 4.13Å; F319-L345 HydrophobicContact CD1-CD2 4.19Å; F319-L345 HydrophobicContact CD2-CD1 4.32Å; F319-L345 HydrophobicContact CE1-CD2 4.42Å; F319-L345 HydrophobicContact CG-CD1 3.75Å; F319-D352 HydrophobicContact CD1-CB 4.39Å; F319-L356 HydrophobicContact CE1-CB 4.28Å; F319-L356 HydrophobicContact CE2-CD1 4.01Å; F319-L356 HydrophobicContact CZ-CB 3.88Å; F319-L356 HydrophobicContact CZ-CD1 3.92Å; F319-L356 HydrophobicContact CZ-CG 4.47Å
320N93.8Very high90.9Very high25 Ų2576.9 Ų76.913%0.13437%0.371CS..Hα-helixtrans-59.7-39.6176.4-81-64.5000112.8G316 R317 R322 R324 D352G316-N320 WeakPolarHBondContact O-CB 3.41Å; G316-N320 PolarHBondContact O-N 3.42Å; G316-N320 PolarHBondContact O-ND2 2.8Å; R317-N320 PolarHBondContact O-N 3.47Å; N320-R322 VanDerWaalsContact C-N 3.27Å; N320-R322 PolarHBondContact O-N 3.29Å; N320-R324 VanDerWaalsContact O-CB 3.3Å; N320-R324 WeakPolarHBondContact O-CB 3.33Å; N320-R324 VanDerWaalsContact O-CG 3.24Å; N320-R324 WeakPolarHBondContact O-CG 3.39Å; N320-R324 PolarHBondContact O-N 2.85Å; N320-R324 VanDerWaalsContact OD1-CZ 3.31Å; N320-R324 PolarHBondContact OD1-NE 2.94Å; N320-R324 PolarHBondContact OD1-NH2 2.74Å; N320-D352 VanDerWaalsContact ND2-CG 3.3Å; N320-D352 PolarHBondContact ND2-OD1 3.44Å; N320-D352 PolarHBondContact OD1-OD1 3.03Å
321A93.4Very high91.2Very high77 Ų7776.6 Ų76.664%0.63636%0.361SS*.Hα-helixtrans-64.8-30.3178.100000112.9R317 D318 F319R317-A321 WeakPolarHBondContact O-CB 3.39Å; R317-A321 PolarHBondContact O-N 3.16Å; D318-A321 PolarHBondContact O-N 3.41Å; F319-A321 VanDerWaalsContact C-N 3.3Å; F319-A321 PolarHBondContact O-N 2.87Å
322R92.8Very high91.2Very high129 Ų12975.8 Ų75.849%0.48736%0.358SS..Hα-helixtrans-82.9-31.3-179.4-71.6170.5-174.8-116.93.1113.7D318 F319 N320 L334 V338D318-R322 VanDerWaalsContact O-CG 3.27Å; D318-R322 WeakPolarHBondContact O-CG 3.26Å; D318-R322 PolarHBondContact O-N 3.32Å; D318-R322 VanDerWaalsContact O-N 3.09Å; F319-R322 PolarHBondContact O-N 3.27Å; F319-R322 VanDerWaalsContact O-N 3.13Å; N320-R322 VanDerWaalsContact C-N 3.27Å; N320-R322 PolarHBondContact O-N 3.29Å; R322-L334 WeakPolarHBondContact O-CB 3.38Å; R322-V338 HydrophobicContact CB-CG2 4.15Å
323I92.4Very high91.1Very high0 Ų080 Ų800%038%0.377CS..Hα-helixtrans-97.8-13.1-172.172.5-177.2000113.6F319 V330 R331 L335 T355F319-I323 HydrophobicContact CD1-CD1 3.93Å; F319-I323 HydrophobicContact CD2-CG2 4.1Å; F319-I323 HydrophobicContact CE1-CD1 3.46Å; F319-I323 VanDerWaalsContact CE1-CD1 3.46Å; F319-I323 HydrophobicContact CE2-CD1 4.13Å; F319-I323 HydrophobicContact CE2-CG2 3.84Å; F319-I323 HydrophobicContact CG-CD1 4.46Å; F319-I323 HydrophobicContact CZ-CD1 3.57Å; F319-I323 HydrophobicContact CZ-CG2 4.3Å; F319-I323 WeakPolarHBondContact O-CG1 3.46Å; F319-I323 WeakPolarHBondContact O-CG2 3.49Å; F319-I323 PolarHBondContact O-N 2.8Å; F319-I323 VanDerWaalsContact O-N 3.16Å; I323-V330 HydrophobicContact CD1-CG1 4.36Å; I323-V330 HydrophobicContact CG1-CG1 4.43Å; I323-R331 PolarHBondContact O-N 3.08Å; I323-L335 HydrophobicContact CB-CD1 4.34Å; I323-L335 HydrophobicContact CD1-CD1 4.42Å; I323-L335 HydrophobicContact CG2-CB 4.27Å; I323-L335 HydrophobicContact CG2-CD1 3.61Å; I323-T355 HydrophobicContact CD1-CG2 3.71Å
324R91.7Very high90.9Very high98 Ų9880.4 Ų80.437%0.3738%0.38SS..BIsolated β-bridgetrans-101.3141.6-178-63.8176.2-175.3-137.210.2111N320 G328 E329 V330N320-R324 VanDerWaalsContact O-CB 3.3Å; N320-R324 WeakPolarHBondContact O-CB 3.33Å; N320-R324 VanDerWaalsContact O-CG 3.24Å; N320-R324 WeakPolarHBondContact O-CG 3.39Å; N320-R324 PolarHBondContact O-N 2.85Å; N320-R324 VanDerWaalsContact OD1-CZ 3.31Å; N320-R324 PolarHBondContact OD1-NE 2.94Å; N320-R324 PolarHBondContact OD1-NH2 2.74Å; R324-G328 WeakPolarHBondContact CD-O 3.35Å; R324-G328 PolarHBondContact NH1-O 3.29Å; R324-E329 VanDerWaalsContact CA-O 3.24Å; R324-E329 WeakPolarHBondContact CA-O 3.34Å; R324-V330 HydrophobicContact CG-CG2 4.17Å
325D87.8Confident90.8Very high44 Ų4480.1 Ų80.124%0.23538%0.378CS..  trans-80.9177.4172.9-170.631.1000111.8K327 G328 E329 R331D325-K327 PolarHBondContact O-N 3.19Å; D325-G328 PolarHBondContact O-N 3.03Å; D325-E329 PolarHBondContact N-O 2.95Å; D325-R331 HydrophobicContact CB-CG 4.26Å; D325-R331 VanDerWaalsContact CG-NH1 3.29Å; D325-R331 VanDerWaalsContact CG-NH2 3.32Å; D325-R331 IonicContact OD1-CZ 2.9Å; D325-R331 IonicContact OD1-NH1 2.6Å; D325-R331 PolarHBondContact OD1-NH1 3.25Å; D325-R331 IonicContact OD2-CZ 3.27Å; D325-R331 IonicContact OD2-NE 3.54Å; D325-R331 IonicContact OD2-NH1 3.76Å; D325-R331 PolarHBondContact OD2-NH1 3.37Å; D325-R331 IonicContact OD2-NH2 3.75Å; D325-R331 PolarHBondContact OD2-NH2 3.01Å
326K84.9Confident90.6Very high210 Ų21079.4 Ų79.491%0.91338%0.376SS*.THydrogen-bonded Turntrans-51.8-24.5175.7-62.2-176.6-178.8-179.20114.4
327K83.3Confident90.5Very high186 Ų18686 Ų8681%0.80941%0.407SS*.THydrogen-bonded Turntrans-83.8-6176.3-63.9-173.1179.6-176.20114.1D325 E329D325-K327 PolarHBondContact O-N 3.19Å; K327-E329 VanDerWaalsContact C-N 3.29Å; K327-E329 HydrophobicContact CB-CG 4.41Å; K327-E329 PolarHBondContact O-N 3.34Å
328G84.1Confident90.4Very high36 Ų3676.5 Ų76.537%0.37137%0.371SS..SBendtrans83.3-1.8-176.500000115.3R324 D325R324-G328 WeakPolarHBondContact CD-O 3.35Å; R324-G328 PolarHBondContact NH1-O 3.29Å; D325-G328 PolarHBondContact O-N 3.03Å
329E88.3Confident90.4Very high139 Ų13973.6 Ų73.665%0.6536%0.355SS*.  trans-78.6142.2177.1-68-82.2128.100111.4R324 D325 K327R324-E329 VanDerWaalsContact CA-O 3.24Å; R324-E329 WeakPolarHBondContact CA-O 3.34Å; D325-E329 PolarHBondContact N-O 2.95Å; K327-E329 VanDerWaalsContact C-N 3.29Å; K327-E329 HydrophobicContact CB-CG 4.41Å; K327-E329 PolarHBondContact O-N 3.34Å
330V88.6Confident90.2Very high62 Ų6276.1 Ų76.138%0.37637%0.371SS..BIsolated β-bridgetrans-75.6128.7177.8179.60000110I323 R324 T355I323-V330 HydrophobicContact CD1-CG1 4.36Å; I323-V330 HydrophobicContact CG1-CG1 4.43Å; R324-V330 HydrophobicContact CG-CG2 4.17Å; V330-T355 HydrophobicContact CG1-CG2 3.95Å; V330-T355 HydrophobicContact CG2-CG2 3.91Å
331R89.8Confident90.1Very high112 Ų11279.9 Ų79.942%0.42338%0.384SS..  trans-107.6128173.9-74.4-168171.3159.92.7111.5I323 D325 E333 L334 L335I323-R331 PolarHBondContact O-N 3.08Å; D325-R331 HydrophobicContact CB-CG 4.26Å; D325-R331 VanDerWaalsContact CG-NH1 3.29Å; D325-R331 VanDerWaalsContact CG-NH2 3.32Å; D325-R331 IonicContact OD1-CZ 2.9Å; D325-R331 IonicContact OD1-NH1 2.6Å; D325-R331 PolarHBondContact OD1-NH1 3.25Å; D325-R331 IonicContact OD2-CZ 3.27Å; D325-R331 IonicContact OD2-NE 3.54Å; D325-R331 IonicContact OD2-NH1 3.76Å; D325-R331 PolarHBondContact OD2-NH1 3.37Å; D325-R331 IonicContact OD2-NH2 3.75Å; D325-R331 PolarHBondContact OD2-NH2 3.01Å; R331-E333 VanDerWaalsContact C-N 3.29Å; R331-E333 PolarHBondContact O-N 3.43Å; R331-L334 HydrophobicContact CB-CB 4.29Å; R331-L334 HydrophobicContact CB-CD1 4.03Å; R331-L334 HydrophobicContact CB-CG 3.99Å; R331-L334 PolarHBondContact O-N 3.1Å; R331-L335 PolarHBondContact O-N 3.24Å; R331-L335 VanDerWaalsContact O-N 3.14Å
332Q90.5Very high90.2Very high51 Ų5176.3 Ų76.324%0.23835%0.354CS..Hα-helixtrans-63.1-36.8-179.2-173.46146.500111.7L334 L335 D336 G359Q332-L334 VanDerWaalsContact C-N 3.3Å; Q332-L334 PolarHBondContact O-N 3.37Å; Q332-L335 PolarHBondContact O-N 3.03Å; Q332-D336 PolarHBondContact NE2-OD1 3.33Å; Q332-D336 WeakPolarHBondContact O-CB 3.41Å; Q332-D336 VanDerWaalsContact O-CG 3.26Å; Q332-D336 PolarHBondContact O-N 3.35Å; Q332-G359 PolarHBondContact NE2-O 3.37Å
333E89.9Confident90.4Very high125 Ų12571.7 Ų71.758%0.58434%0.336SS*.Hα-helixtrans-66.2-34.2-178.5-53.677.7-168.400112.1R331 Q337R331-E333 VanDerWaalsContact C-N 3.29Å; R331-E333 PolarHBondContact O-N 3.43Å; E333-Q337 WeakPolarHBondContact O-CG 3.33Å; E333-Q337 PolarHBondContact O-NE2 3.08Å
334L91.1Very high90.6Very high49 Ų4971.7 Ų71.726%0.25734%0.336SS..Hα-helixtrans-74.2-40.2175.9-64.5-178.7000111R322 R331 Q332 D336 Q337R322-L334 WeakPolarHBondContact O-CB 3.38Å; R331-L334 HydrophobicContact CB-CB 4.29Å; R331-L334 HydrophobicContact CB-CD1 4.03Å; R331-L334 HydrophobicContact CB-CG 3.99Å; R331-L334 PolarHBondContact O-N 3.1Å; Q332-L334 VanDerWaalsContact C-N 3.3Å; Q332-L334 PolarHBondContact O-N 3.37Å; L334-D336 VanDerWaalsContact C-N 3.31Å; L334-D336 PolarHBondContact O-N 3.41Å; L334-Q337 PolarHBondContact O-N 2.98Å
335L92.5Very high90.8Very high1 Ų167 Ų671%0.00532%0.319CS..Hα-helixtrans-62.4-41175.4-174.272.1000111.5F319 I323 R331 Q332 Q337 V338 W339F319-L335 HydrophobicContact CE2-CD1 3.59Å; F319-L335 HydrophobicContact CZ-CD1 3.63Å; I323-L335 HydrophobicContact CB-CD1 4.34Å; I323-L335 HydrophobicContact CD1-CD1 4.42Å; I323-L335 HydrophobicContact CG2-CB 4.27Å; I323-L335 HydrophobicContact CG2-CD1 3.61Å; R331-L335 PolarHBondContact O-N 3.24Å; R331-L335 VanDerWaalsContact O-N 3.14Å; Q332-L335 PolarHBondContact O-N 3.03Å; L335-Q337 PolarHBondContact O-N 3.37Å; L335-V338 PolarHBondContact O-N 2.89Å; L335-W339 PolarHBondContact O-N 3.36Å
336D92.2Very high91.2Very high38 Ų3865 Ų6520%0.20331%0.308CS..Hα-helixtrans-61.1-21.2178.6-76.4-14.1000113.8Q332 L334 W339 P340 S363 A365Q332-D336 PolarHBondContact NE2-OD1 3.33Å; Q332-D336 WeakPolarHBondContact O-CB 3.41Å; Q332-D336 VanDerWaalsContact O-CG 3.26Å; Q332-D336 PolarHBondContact O-N 3.35Å; L334-D336 VanDerWaalsContact C-N 3.31Å; L334-D336 PolarHBondContact O-N 3.41Å; D336-W339 PolarHBondContact OD1-NE1 3.12Å; D336-P340 VanDerWaalsContact O-CD 3.29Å; D336-P340 WeakPolarHBondContact O-CD 3.43Å; D336-P340 WeakPolarHBondContact O-CG 3.41Å; D336-S363 VanDerWaalsContact CG-OG 3.28Å; D336-S363 WeakPolarHBondContact OD1-CB 3.46Å; D336-S363 PolarHBondContact OD1-OG 2.82Å; D336-A365 HydrophobicContact CB-CB 4.44Å
337Q90.6Very high91.6Very high140 Ų14061.6 Ų61.665%0.65429%0.289SS*.Hα-helixtrans-82.5-19.2173.4-65172.426.900113.1E333 L334 L335E333-Q337 WeakPolarHBondContact O-CG 3.33Å; E333-Q337 PolarHBondContact O-NE2 3.08Å; L334-Q337 PolarHBondContact O-N 2.98Å; L335-Q337 PolarHBondContact O-N 3.37Å
338V92Very high92.1Very high9 Ų953.5 Ų53.56%0.05526%0.256CS..Hα-helixtrans-105.2-50.7-171.8179.30000111.9L312 L314 F319 R322 L335 R341 L342L312-V338 HydrophobicContact CD1-CG1 4.48Å; L314-V338 HydrophobicContact CD1-CG1 3.57Å; F319-V338 HydrophobicContact CD2-CG1 4.4Å; R322-V338 HydrophobicContact CB-CG2 4.15Å; L335-V338 PolarHBondContact O-N 2.89Å; V338-R341 PolarHBondContact O-N 3.27Å; V338-L342 PolarHBondContact O-N 3.1Å
339W92.7Very high92.6Very high15 Ų1553.7 Ų53.76%0.05725%0.252CS..THydrogen-bonded Turntrans-60.2-32.3-170.178.9-105.3000115.1R285 L335 D336 R341 L342 L356 I360 S363 A365 E370R285-W339 PolarHBondContact NE-O 2.78Å; R285-W339 PolarHBondContact NH2-O 2.82Å; L335-W339 PolarHBondContact O-N 3.36Å; D336-W339 PolarHBondContact OD1-NE1 3.12Å; W339-R341 VanDerWaalsContact C-N 3.3Å; W339-R341 PolarHBondContact O-N 3.01Å; W339-L342 PolarHBondContact O-N 3.37Å; W339-L356 HydrophobicContact CB-CD1 4.36Å; W339-I360 HydrophobicContact CB-CG1 4Å; W339-I360 HydrophobicContact CD2-CG1 4.11Å; W339-I360 HydrophobicContact CE3-CG1 4.18Å; W339-I360 HydrophobicContact CE3-CG2 4.39Å; W339-I360 HydrophobicContact CG-CG1 4Å; W339-S363 PolarHBondContact NE1-OG 3.33Å; W339-A365 HydrophobicContact CZ2-CB 4.2Å; W339-E370 HydrophobicContact CH2-CG 3.52Å; W339-E370 HydrophobicContact CZ2-CG 4.2Å; W339-E370 HydrophobicContact CZ3-CG 3.97Å
340P91.7Very high92.9Very high53 Ų5349.6 Ų49.634%0.34424%0.238SC..THydrogen-bonded Turntrans-62.3-38-179.2-25.636.3000112.7D336 R343D336-P340 VanDerWaalsContact O-CD 3.29Å; D336-P340 WeakPolarHBondContact O-CD 3.43Å; D336-P340 WeakPolarHBondContact O-CG 3.41Å; P340-R343 PolarHBondContact O-NH1 3.33Å
341R92.7Very high93.1Very high104 Ų10450.7 Ų50.739%0.39224%0.244SC..THydrogen-bonded Turntrans-92-20-179.8-68.3-178.957-174.7-11.7113.5D310 L312 V338 W339 R343D310-R341 PolarHBondContact O-NE 3.41Å; D310-R341 PolarHBondContact O-NH2 3.3Å; D310-R341 IonicContact OD1-CZ 2.7Å; D310-R341 IonicContact OD1-NH2 2.62Å; D310-R341 PolarHBondContact OD1-NH2 3.23Å; D310-R341 IonicContact OD2-CZ 3.76Å; D310-R341 IonicContact OD2-NE 2.77Å; D310-R341 IonicContact OD2-NH1 3.38Å; D310-R341 PolarHBondContact OD2-NH1 3.07Å; D310-R341 IonicContact OD2-NH2 3.2Å; D310-R341 PolarHBondContact OD2-NH2 2.92Å; L312-R341 HydrophobicContact CB-CB 4.47Å; L312-R341 HydrophobicContact CD1-CB 3.77Å; L312-R341 HydrophobicContact CG-CB 3.82Å; L312-R341 PolarHBondContact N-O 2.9Å; V338-R341 PolarHBondContact O-N 3.27Å; W339-R341 VanDerWaalsContact C-N 3.3Å; W339-R341 PolarHBondContact O-N 3.01Å; R341-R343 PolarHBondContact O-N 3.19Å
342L95.3Very high93.4Very high2 Ų245.7 Ų45.71%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-61.8127.2176.7-171.664.4000111R285 L312 L314 F319 V338 W339 V344 L356R285-L342 PolarHBondContact NE-O 2.9Å; L312-L342 HydrophobicContact CB-CD1 4.36Å; L314-L342 HydrophobicContact CB-CD1 4Å; L314-L342 HydrophobicContact CD1-CD1 3.96Å; L314-L342 HydrophobicContact CG-CD1 3.89Å; F319-L342 HydrophobicContact CD2-CD2 4.29Å; F319-L342 HydrophobicContact CE2-CD2 4.25Å; V338-L342 PolarHBondContact O-N 3.1Å; W339-L342 PolarHBondContact O-N 3.37Å; L342-V344 WeakPolarHBondContact CD1-O 3.37Å; L342-L356 HydrophobicContact CD2-CD1 3.83Å; L342-L356 HydrophobicContact CD2-CD2 4.14Å
343R95.9Very high93.6Very high31 Ų3143.6 Ų43.612%0.11722%0.216CC..EExtended strand (participates in β ladder)trans-119-31173.4-71.1-64.8176.3-83.80.2113.1T283 R285 M286 I304 I305 F311 L312 P340 R341T283-R343 VanDerWaalsContact CG2-CZ 3.47Å; R285-R343 CarbonylContact C-O 3.56Å; R285-R343 VanDerWaalsContact CA-O 3.25Å; R285-R343 WeakPolarHBondContact CA-O 3.38Å; M286-R343 PolarHBondContact N-O 3.35Å; I304-R343 HydrophobicContact CG2-CB 4.14Å; I305-R343 HydrophobicContact CG1-CB 4.1Å; F311-R343 HydrophobicContact CB-CB 4.21Å; F311-R343 HydrophobicContact CB-CG 3.58Å; F311-R343 HydrophobicContact CD1-CG 3.97Å; F311-R343 HydrophobicContact CD2-CG 3.87Å; F311-R343 VanDerWaalsContact CE1-NH2 3.32Å; F311-R343 HydrophobicContact CG-CG 3.54Å; L312-R343 PolarHBondContact O-N 3.16Å; P340-R343 PolarHBondContact O-NH1 3.33Å; R341-R343 PolarHBondContact O-N 3.19Å
344V96.6Very high93.9Very high0 Ų041.7 Ų41.70%020%0.204CC..EExtended strand (participates in β ladder)trans-133.8126.1-179.1178.10000109.7M286 A295 A299 I305 I313 L314 L342M286-V344 HydrophobicContact CB-CG2 4.23Å; M286-V344 CarbonylContact O-C 3.41Å; M286-V344 VanDerWaalsContact O-CA 3.31Å; M286-V344 WeakPolarHBondContact O-CA 3.39Å; A295-V344 HydrophobicContact CB-CG1 3.75Å; A299-V344 HydrophobicContact CB-CG2 3.42Å; A299-V344 VanDerWaalsContact CB-CG2 3.42Å; I305-V344 HydrophobicContact CD1-CG2 3.66Å; I305-V344 HydrophobicContact CG1-CG2 4.26Å; I313-V344 WeakPolarHBondContact CA-O 3.32Å; I313-V344 HydrophobicContact CB-CB 4.43Å; I313-V344 HydrophobicContact CG1-CB 4.22Å; I313-V344 HydrophobicContact CG2-CB 3.98Å; I313-V344 HydrophobicContact CG2-CG1 4.03Å; L314-V344 PolarHBondContact N-O 3.37Å; L342-V344 WeakPolarHBondContact CD1-O 3.37Å
345L97Very high94.1Very high1 Ų140.4 Ų40.41%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-111.5107.3168-173.767.7000108.5M286 V287 T288 L314 F319 D352 L356M286-L345 PolarHBondContact O-N 2.97Å; V287-L345 WeakPolarHBondContact CA-O 3.17Å; V287-L345 HydrophobicContact CG1-CB 4.25Å; V287-L345 HydrophobicContact CG1-CD2 4.1Å; V287-L345 HydrophobicContact CG2-CB 4.38Å; T288-L345 PolarHBondContact N-O 3.3Å; L314-L345 HydrophobicContact CB-CD1 4.31Å; L314-L345 CarbonylContact O-C 3.56Å; L314-L345 WeakPolarHBondContact O-CA 3.37Å; F319-L345 HydrophobicContact CB-CD1 3.52Å; F319-L345 HydrophobicContact CD1-CD1 4.13Å; F319-L345 HydrophobicContact CD1-CD2 4.19Å; F319-L345 HydrophobicContact CD2-CD1 4.32Å; F319-L345 HydrophobicContact CE1-CD2 4.42Å; F319-L345 HydrophobicContact CG-CD1 3.75Å; L345-D352 HydrophobicContact CD2-CB 4.17Å; L345-L356 HydrophobicContact CD2-CD2 4.09Å
346A95.3Very high94.3Very high0 Ų040.4 Ų40.40%020%0.198CC..EExtended strand (participates in β ladder)trans-97.8160.7-178.500000111.3T288 D290 V292 A295 L314 E315 G316 S348T288-A346 CarbonylContact O-C 3.38Å; T288-A346 VanDerWaalsContact O-C 3.31Å; T288-A346 WeakPolarHBondContact O-CA 3.15Å; D290-A346 WeakPolarHBondContact O-CB 3.35Å; V292-A346 HydrophobicContact CB-CB 4.34Å; V292-A346 HydrophobicContact CG2-CB 3.73Å; A295-A346 HydrophobicContact CB-CB 3.98Å; L314-A346 PolarHBondContact O-N 3.03Å; E315-A346 CarbonylContact C-O 3.53Å; E315-A346 VanDerWaalsContact CA-O 3.28Å; E315-A346 WeakPolarHBondContact CA-O 3.35Å; G316-A346 PolarHBondContact N-O 3.37Å; A346-S348 PolarHBondContact O-N 3.07Å
347R94.5Very high94.5Very high139 Ų13938.6 Ų38.653%0.52519%0.189SC..SBendtrans43.336.7-172.9-65.9-171.9178.7-94.23.4112.9T288 D290 E315T288-R347 PolarHBondContact O-N 3.46Å; D290-R347 PolarHBondContact O-N 3.17Å; E315-R347 IonicContact OE1-NE 2.62Å
348S93.8Very high94.7Very high17 Ų1735.9 Ų35.912%0.11918%0.175CC..  trans-72.9130.6-176.763.30000110.2V287 T288 A346V287-S348 WeakPolarHBondContact CG1-OG 3.44Å; T288-S348 PolarHBondContact O-N 3.15Å; T288-S348 PolarHBondContact O-OG 3.41Å; A346-S348 PolarHBondContact O-N 3.07Å
349S94.5Very high94.8Very high40 Ų4035.7 Ų35.728%0.2817%0.174SC..  trans-77.9163.1166.469.90000111.1T351 D352 K353S349-T351 PolarHBondContact O-N 3.35Å; S349-T351 PolarHBondContact OG-OG1 3.24Å; S349-D352 WeakPolarHBondContact CB-OD2 3.43Å; S349-D352 PolarHBondContact N-OD2 3.22Å; S349-D352 WeakPolarHBondContact O-CB 3.22Å; S349-D352 PolarHBondContact O-N 3.29Å; S349-D352 PolarHBondContact OG-N 2.95Å; S349-D352 PolarHBondContact OG-OD1 3.39Å; S349-D352 PolarHBondContact OG-OD2 3.49Å; S349-K353 PolarHBondContact O-N 3.31Å; S349-K353 VanDerWaalsContact O-N 3.12Å
350P93.6Very high94.9Very high53 Ų5335 Ų3534%0.34417%0.172SC..Hα-helixtrans-52.9-39.8174.4-2836.1000113D352 K353 Y354 N380P350-D352 VanDerWaalsContact C-N 3.32Å; P350-D352 PolarHBondContact O-N 2.89Å; P350-K353 PolarHBondContact O-N 2.92Å; P350-Y354 PolarHBondContact O-N 3.47Å; P350-N380 WeakPolarHBondContact CB-O 3.13Å; P350-N380 HydrophobicContact CG-CB 3.89Å
351T94.1Very high94.9Very high84 Ų8432.8 Ų32.852%0.51516%0.157SC..Hα-helixtrans-67.2-31.2177.746.70000112.9S349 T355S349-T351 PolarHBondContact O-N 3.35Å; S349-T351 PolarHBondContact OG-OG1 3.24Å; T351-T355 WeakPolarHBondContact O-CB 3.32Å; T351-T355 PolarHBondContact O-N 3.08Å; T351-T355 PolarHBondContact O-OG1 2.97Å
352D94.9Very high94.8Very high7 Ų730.8 Ų30.84%0.03715%0.154CC..Hα-helixtrans-72.7-43.6178.3-54.5-24.7000110.3F319 N320 L345 S349 P350 Y354 T355 L356F319-D352 HydrophobicContact CD1-CB 4.39Å; N320-D352 VanDerWaalsContact ND2-CG 3.3Å; N320-D352 PolarHBondContact ND2-OD1 3.44Å; N320-D352 PolarHBondContact OD1-OD1 3.03Å; L345-D352 HydrophobicContact CD2-CB 4.17Å; S349-D352 WeakPolarHBondContact CB-OD2 3.43Å; S349-D352 PolarHBondContact N-OD2 3.22Å; S349-D352 WeakPolarHBondContact O-CB 3.22Å; S349-D352 PolarHBondContact O-N 3.29Å; S349-D352 PolarHBondContact OG-N 2.95Å; S349-D352 PolarHBondContact OG-OD1 3.39Å; S349-D352 PolarHBondContact OG-OD2 3.49Å; P350-D352 VanDerWaalsContact C-N 3.32Å; P350-D352 PolarHBondContact O-N 2.89Å; D352-Y354 VanDerWaalsContact C-N 3.34Å; D352-Y354 PolarHBondContact O-N 3.03Å; D352-T355 PolarHBondContact O-N 2.96Å; D352-L356 WeakPolarHBondContact O-CB 3.38Å; D352-L356 PolarHBondContact O-N 3.33Å
353K94.8Very high94.6Very high7 Ų730.7 Ų30.73%0.0315%0.153CC..Hα-helixtrans-58-48.2174.6-171176.2-73.5-168.20110.1D26 V287 S349 P350 L356 V357 D381 A384D26-K353 IonicContact OD1-NZ 3.02Å; D26-K353 PolarHBondContact OD1-NZ 2.76Å; V287-K353 HydrophobicContact CG1-CB 4.04Å; V287-K353 HydrophobicContact CG1-CD 4.29Å; V287-K353 HydrophobicContact CG1-CG 3.88Å; S349-K353 PolarHBondContact O-N 3.31Å; S349-K353 VanDerWaalsContact O-N 3.12Å; P350-K353 PolarHBondContact O-N 2.92Å; K353-L356 PolarHBondContact O-N 3.17Å; K353-V357 VanDerWaalsContact O-CG2 3.26Å; K353-V357 WeakPolarHBondContact O-CG2 3.42Å; K353-V357 PolarHBondContact O-N 3.46Å; K353-D381 WeakPolarHBondContact CD-OD1 3.37Å; K353-D381 WeakPolarHBondContact CE-OD1 3.15Å; K353-D381 IonicContact NZ-OD1 2.84Å; K353-D381 PolarHBondContact NZ-OD1 3.05Å; K353-D381 IonicContact NZ-OD2 2.82Å; K353-A384 HydrophobicContact CB-CB 4.39Å; K353-A384 HydrophobicContact CD-CB 4.04Å; K353-A384 HydrophobicContact CG-CB 3.74Å
354Y95.8Very high94.1Very high85 Ų8537.3 Ų37.333%0.33318%0.183SC..Hα-helixtrans-59.4-48.4175.1176.7-92.9000112.9P350 D352 L356 V357 K358 P383 K387P350-Y354 PolarHBondContact O-N 3.47Å; D352-Y354 VanDerWaalsContact C-N 3.34Å; D352-Y354 PolarHBondContact O-N 3.03Å; Y354-L356 VanDerWaalsContact C-N 3.34Å; Y354-L356 PolarHBondContact O-N 2.6Å; Y354-V357 PolarHBondContact O-N 2.88Å; Y354-K358 HydrophobicContact CE1-CB 4.46Å; Y354-K358 HydrophobicContact CE1-CD 4.02Å; Y354-K358 WeakPolarHBondContact O-CB 3.38Å; Y354-K358 PolarHBondContact O-N 3.29Å; Y354-P383 HydrophobicContact CD2-CB 4.25Å; Y354-P383 WeakPolarHBondContact CD2-O 3.38Å; Y354-K387 HydrophobicContact CD2-CB 3.95Å; Y354-K387 HydrophobicContact CD2-CG 4.14Å; Y354-K387 HydrophobicContact CE2-CB 3.62Å; Y354-K387 HydrophobicContact CE2-CD 4.24Å; Y354-K387 HydrophobicContact CE2-CG 3.59Å
355T95.6Very high93.4Very high23 Ų2340.3 Ų40.314%0.14121%0.208CC..Hα-helixtrans-61.8-42.8-178.8-59.10000111.8I323 V330 T351 D352 G359I323-T355 HydrophobicContact CD1-CG2 3.71Å; V330-T355 HydrophobicContact CG1-CG2 3.95Å; V330-T355 HydrophobicContact CG2-CG2 3.91Å; T351-T355 WeakPolarHBondContact O-CB 3.32Å; T351-T355 PolarHBondContact O-N 3.08Å; T351-T355 PolarHBondContact O-OG1 2.97Å; D352-T355 PolarHBondContact O-N 2.96Å; T355-G359 PolarHBondContact O-N 3.24Å
356L96Very high92.5Very high1 Ų142 Ų421%0.00522%0.22CC..Hα-helixtrans-61.8-49.3176.7178.463.1000111.2V287 F319 W339 L342 L345 D352 K353 Y354 G359 I360V287-L356 HydrophobicContact CG2-CD2 3.89Å; F319-L356 HydrophobicContact CE1-CB 4.28Å; F319-L356 HydrophobicContact CE2-CD1 4.01Å; F319-L356 HydrophobicContact CZ-CB 3.88Å; F319-L356 HydrophobicContact CZ-CD1 3.92Å; F319-L356 HydrophobicContact CZ-CG 4.47Å; W339-L356 HydrophobicContact CB-CD1 4.36Å; L342-L356 HydrophobicContact CD2-CD1 3.83Å; L342-L356 HydrophobicContact CD2-CD2 4.14Å; L345-L356 HydrophobicContact CD2-CD2 4.09Å; D352-L356 WeakPolarHBondContact O-CB 3.38Å; D352-L356 PolarHBondContact O-N 3.33Å; K353-L356 PolarHBondContact O-N 3.17Å; Y354-L356 VanDerWaalsContact C-N 3.34Å; Y354-L356 PolarHBondContact O-N 2.6Å; L356-G359 PolarHBondContact O-N 2.97Å; L356-I360 HydrophobicContact CD1-CD1 3.83Å; L356-I360 HydrophobicContact CD1-CG1 4.25Å; L356-I360 HydrophobicContact CG-CD1 3.98Å; L356-I360 VanDerWaalsContact O-CG1 3.26Å; L356-I360 WeakPolarHBondContact O-CG1 3.24Å; L356-I360 PolarHBondContact O-N 3.04Å
357V96.2Very high91.5Very high0 Ų049.3 Ų49.30%026%0.259CS..Hα-helixtrans-61.7-53.7-179.5170.60000110.5K353 Y354 G359 I360 I361 V372 V374 A384 A388K353-V357 VanDerWaalsContact O-CG2 3.26Å; K353-V357 WeakPolarHBondContact O-CG2 3.42Å; K353-V357 PolarHBondContact O-N 3.46Å; Y354-V357 PolarHBondContact O-N 2.88Å; V357-G359 VanDerWaalsContact C-N 3.3Å; V357-G359 PolarHBondContact O-N 2.98Å; V357-I360 PolarHBondContact O-N 3.4Å; V357-I361 HydrophobicContact CG1-CD1 3.87Å; V357-I361 VanDerWaalsContact O-CG1 3.3Å; V357-I361 WeakPolarHBondContact O-CG1 3.14Å; V357-I361 PolarHBondContact O-N 3.46Å; V357-I361 VanDerWaalsContact O-N 3.12Å; V357-V372 HydrophobicContact CG1-CG1 4.06Å; V357-V372 HydrophobicContact CG2-CG1 4.43Å; V357-V374 HydrophobicContact CB-CG2 4.3Å; V357-V374 HydrophobicContact CG1-CG2 3.85Å; V357-V374 HydrophobicContact CG2-CG2 3.41Å; V357-V374 VanDerWaalsContact CG2-CG2 3.41Å; V357-A384 HydrophobicContact CG2-CB 4.48Å; V357-A388 HydrophobicContact CG1-CB 4.31Å
358K95.2Very high90.6Very high83 Ų8346.6 Ų46.636%0.36126%0.255SS..Hα-helixtrans-54.6-48.1178.8176.2176.2177.4-170.10111.3Y354 I360 I361 D362 K387Y354-K358 HydrophobicContact CE1-CB 4.46Å; Y354-K358 HydrophobicContact CE1-CD 4.02Å; Y354-K358 WeakPolarHBondContact O-CB 3.38Å; Y354-K358 PolarHBondContact O-N 3.29Å; K358-I360 PolarHBondContact O-N 3.39Å; K358-I361 WeakPolarHBondContact O-CB 3.37Å; K358-I361 PolarHBondContact O-N 3.3Å; K358-D362 WeakPolarHBondContact CE-OD2 3.49Å; K358-D362 VanDerWaalsContact CG-OD2 3.26Å; K358-D362 WeakPolarHBondContact CG-OD2 3.33Å; K358-D362 WeakPolarHBondContact O-CB 3.28Å; K358-D362 VanDerWaalsContact O-CG 3.25Å; K358-D362 PolarHBondContact O-N 2.81Å; K358-K387 HydrophobicContact CB-CG 4.21Å
359G94.2Very high90.3Very high4 Ų447.7 Ų47.74%0.04126%0.257CS..Hα-helixtrans-76.4-20.4-174.300000114.5Q332 T355 L356 V357 S363Q332-G359 PolarHBondContact NE2-O 3.37Å; T355-G359 PolarHBondContact O-N 3.24Å; L356-G359 PolarHBondContact O-N 2.97Å; V357-G359 VanDerWaalsContact C-N 3.3Å; V357-G359 PolarHBondContact O-N 2.98Å; G359-S363 WeakPolarHBondContact O-CB 3.39Å; G359-S363 PolarHBondContact O-N 3.44Å; G359-S363 VanDerWaalsContact O-N 3.11Å
360I94.6Very high90.1Very high0 Ų047 Ų470%025%0.249CC..Hα-helixtrans-70.3-42.3166.1-65.6166.9000110.3V22 W339 L356 V357 K358 D362 S363 E370 V372V22-I360 HydrophobicContact CG1-CD1 4.41Å; V22-I360 HydrophobicContact CG2-CG2 4.21Å; W339-I360 HydrophobicContact CB-CG1 4Å; W339-I360 HydrophobicContact CD2-CG1 4.11Å; W339-I360 HydrophobicContact CE3-CG1 4.18Å; W339-I360 HydrophobicContact CE3-CG2 4.39Å; W339-I360 HydrophobicContact CG-CG1 4Å; L356-I360 HydrophobicContact CD1-CD1 3.83Å; L356-I360 HydrophobicContact CD1-CG1 4.25Å; L356-I360 HydrophobicContact CG-CD1 3.98Å; L356-I360 VanDerWaalsContact O-CG1 3.26Å; L356-I360 WeakPolarHBondContact O-CG1 3.24Å; L356-I360 PolarHBondContact O-N 3.04Å; V357-I360 PolarHBondContact O-N 3.4Å; K358-I360 PolarHBondContact O-N 3.39Å; I360-D362 VanDerWaalsContact C-N 3.33Å; I360-D362 PolarHBondContact O-N 3.2Å; I360-S363 WeakPolarHBondContact O-CB 3.29Å; I360-S363 PolarHBondContact O-N 3.36Å; I360-E370 HydrophobicContact CG2-CB 3.64Å; I360-E370 HydrophobicContact CG2-CG 4.06Å; I360-V372 HydrophobicContact CB-CG2 3.81Å; I360-V372 HydrophobicContact CG2-CG2 3.34Å
361I92Very high90Very high8 Ų844.6 Ų44.64%0.04123%0.233CC..Hα-helixtrans-62.3-41.3177.7-65.9173000111.3V357 K358 S363 R369 V372 K387V357-I361 HydrophobicContact CG1-CD1 3.87Å; V357-I361 VanDerWaalsContact O-CG1 3.3Å; V357-I361 WeakPolarHBondContact O-CG1 3.14Å; V357-I361 PolarHBondContact O-N 3.46Å; V357-I361 VanDerWaalsContact O-N 3.12Å; K358-I361 WeakPolarHBondContact O-CB 3.37Å; K358-I361 PolarHBondContact O-N 3.3Å; I361-S363 VanDerWaalsContact C-N 3.32Å; I361-R369 PolarHBondContact O-NH2 3.49Å; I361-V372 HydrophobicContact CD1-CB 4.24Å; I361-V372 HydrophobicContact CD1-CG2 4.48Å; I361-V372 HydrophobicContact CG1-CB 3.84Å; I361-V372 HydrophobicContact CG1-CG2 3.58Å; I361-K387 VanDerWaalsContact CD1-O 3.23Å; I361-K387 WeakPolarHBondContact CD1-O 3.16Å
362D91.5Very high90.1Very high61 Ų6140.6 Ų40.633%0.32621%0.209SC..Hα-helixtrans-80.8-12.9-178.3-64.6-14.6000112.3K358 I360K358-D362 WeakPolarHBondContact CE-OD2 3.49Å; K358-D362 VanDerWaalsContact CG-OD2 3.26Å; K358-D362 WeakPolarHBondContact CG-OD2 3.33Å; K358-D362 WeakPolarHBondContact O-CB 3.28Å; K358-D362 VanDerWaalsContact O-CG 3.25Å; K358-D362 PolarHBondContact O-N 2.81Å; I360-D362 VanDerWaalsContact C-N 3.33Å; I360-D362 PolarHBondContact O-N 3.2Å
363S90.2Very high90.2Very high0 Ų040.3 Ų40.30%021%0.208CC..  trans-63.7135.4-179.2-173.40000112.6D336 W339 G359 I360 I361 A365D336-S363 VanDerWaalsContact CG-OG 3.28Å; D336-S363 WeakPolarHBondContact OD1-CB 3.46Å; D336-S363 PolarHBondContact OD1-OG 2.82Å; W339-S363 PolarHBondContact NE1-OG 3.33Å; G359-S363 WeakPolarHBondContact O-CB 3.39Å; G359-S363 PolarHBondContact O-N 3.44Å; G359-S363 VanDerWaalsContact O-N 3.11Å; I360-S363 WeakPolarHBondContact O-CB 3.29Å; I360-S363 PolarHBondContact O-N 3.36Å; I361-S363 VanDerWaalsContact C-N 3.32Å; S363-A365 PolarHBondContact OG-N 2.91Å
364K85.3Confident90.3Very high170 Ų17040 Ų4074%0.73921%0.206SC*.  trans-1089.2172.3-62.5-178.1-177.2177.80112.7S366K364-S366 PolarHBondContact O-N 3.35Å
365A82.3Confident90.3Very high64 Ų6436 Ų3653%0.52919%0.191SC..SBendtrans-63.8-27.7-17900000112.8D336 W339 S363D336-A365 HydrophobicContact CB-CB 4.44Å; W339-A365 HydrophobicContact CZ2-CB 4.2Å; S363-A365 PolarHBondContact OG-N 2.91Å
366S79Confident90.2Very high37 Ų3734.9 Ų34.926%0.25918%0.184SC..SBendtrans-101.9128.4173.8-178.70000110.1K364 N368 R369 E370K364-S366 PolarHBondContact O-N 3.35Å; S366-N368 PolarHBondContact O-N 2.86Å; S366-R369 PolarHBondContact O-N 3.33Å; S366-E370 WeakPolarHBondContact CB-OE1 3.4Å; S366-E370 PolarHBondContact OG-OE1 3.33Å; S366-E370 VanDerWaalsContact OG-OE1 3.09Å
367N74.2Confident89.9Confident152 Ų15236.2 Ų36.281%0.81319%0.191SC*.THydrogen-bonded Turntrans-55.6-28.2179.2-72.8-17.6000113.4
368N75.9Confident89.6Confident83 Ų8337.1 Ų37.144%0.44420%0.2SC..THydrogen-bonded Turntrans-90.6-5.4-176.7-70.9-7.3000113.6S366 R499S366-N368 PolarHBondContact O-N 2.86Å; N368-R499 PolarHBondContact O-N 3.28Å
369R85.6Confident89.4Confident40 Ų4036.9 Ų36.915%0.15121%0.206CC..  trans53.2150.3-163.4-63.5-175.767176.33.3113.1I361 S366 R499 E658I361-R369 PolarHBondContact O-NH2 3.49Å; S366-R369 PolarHBondContact O-N 3.33Å; R369-R499 HydrophobicContact CB-CB 4.32Å; R369-R499 HydrophobicContact CB-CG 4.14Å; R369-E658 IonicContact CZ-OE1 3.87Å; R369-E658 IonicContact NH1-OE1 2.62Å; R369-E658 PolarHBondContact NH1-OE1 2.74Å; R369-E658 IonicContact NH2-OE1 3.79Å; R369-E658 PolarHBondContact NH2-OE1 2.9Å
370E90.4Very high89.2Confident24 Ų2441.5 Ų41.511%0.11223%0.229CC..  trans-85.8147.3177.8-57.4-58.3144.300110.7T21 V22 W339 I360 S366T21-E370 WeakPolarHBondContact CB-OE2 3.47Å; T21-E370 WeakPolarHBondContact OG1-CA 3.39Å; T21-E370 PolarHBondContact OG1-OE2 2.83Å; V22-E370 HydrophobicContact CG2-CB 4.34Å; W339-E370 HydrophobicContact CH2-CG 3.52Å; W339-E370 HydrophobicContact CZ2-CG 4.2Å; W339-E370 HydrophobicContact CZ3-CG 3.97Å; I360-E370 HydrophobicContact CG2-CB 3.64Å; I360-E370 HydrophobicContact CG2-CG 4.06Å; S366-E370 WeakPolarHBondContact CB-OE1 3.4Å; S366-E370 PolarHBondContact OG-OE1 3.33Å; S366-E370 VanDerWaalsContact OG-OE1 3.09Å
371V93Very high89.2Confident4 Ų441.9 Ų41.92%0.02423%0.232CC..  trans-116.1118.8171.9177.80000107.2T16 N19 T21 V22 D389 R499T16-V371 HydrophobicContact CG2-CG1 4Å; N19-V371 HydrophobicContact CB-CG2 4.37Å; N19-V371 WeakPolarHBondContact O-CB 3.31Å; T21-V371 PolarHBondContact N-O 2.81Å; T21-V371 PolarHBondContact OG1-N 3.35Å; T21-V371 PolarHBondContact OG1-O 3.2Å; V22-V371 PolarHBondContact N-O 2.94Å; V371-D389 WeakPolarHBondContact CA-OD2 3.39Å; V371-D389 HydrophobicContact CG1-CB 3.84Å; V371-R499 HydrophobicContact CG2-CG 3.41Å; V371-R499 VanDerWaalsContact CG2-CG 3.41Å
372V95.6Very high89.2Confident0 Ų041.9 Ų41.90%023%0.233CC..EExtended strand (participates in β ladder)trans-108.2117.4-167.5-173.80000110.4V22 V357 I360 I361 V374 D389 V390V22-V372 HydrophobicContact CB-CG2 4.32Å; V22-V372 HydrophobicContact CG1-CG1 4.4Å; V357-V372 HydrophobicContact CG1-CG1 4.06Å; V357-V372 HydrophobicContact CG2-CG1 4.43Å; I360-V372 HydrophobicContact CB-CG2 3.81Å; I360-V372 HydrophobicContact CG2-CG2 3.34Å; I361-V372 HydrophobicContact CD1-CB 4.24Å; I361-V372 HydrophobicContact CD1-CG2 4.48Å; I361-V372 HydrophobicContact CG1-CB 3.84Å; I361-V372 HydrophobicContact CG1-CG2 3.58Å; V372-V374 HydrophobicContact CG1-CG2 4.16Å; V372-D389 PolarHBondContact N-OD2 3.13Å; V372-D389 PolarHBondContact O-N 2.98Å; V372-V390 PolarHBondContact O-N 3.48Å
373A96.6Very high89.4Confident1 Ų142.2 Ų42.21%0.00824%0.239CC..EExtended strand (participates in β ladder)trans-94.9142.8164.700000110.5M17 V22 I23 C24 V390 F392M17-A373 HydrophobicContact CE-CB 3.84Å; M17-A373 HydrophobicContact SD-CB 3.79Å; V22-A373 PolarHBondContact O-N 3.2Å; I23-A373 CarbonylContact C-O 3.57Å; I23-A373 WeakPolarHBondContact CA-O 3.48Å; I23-A373 HydrophobicContact CG1-CB 4.11Å; C24-A373 PolarHBondContact N-O 3.23Å; A373-V390 CarbonylContact C-O 3.59Å; A373-V390 WeakPolarHBondContact CA-O 3.46Å; A373-V390 HydrophobicContact CB-CB 4.36Å; A373-F392 HydrophobicContact CB-CD2 4.35Å; A373-F392 HydrophobicContact CB-CE2 3.97Å
374V97.1Very high89.7Confident1 Ų142.3 Ų42.31%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-126.3139.8178.9178.70000109.5C24 V357 V372 A384 L385 A388 V390 F392C24-V374 HydrophobicContact CB-CG2 4.21Å; C24-V374 CarbonylContact O-C 3.04Å; C24-V374 WeakPolarHBondContact O-CA 3.3Å; V357-V374 HydrophobicContact CB-CG2 4.3Å; V357-V374 HydrophobicContact CG1-CG2 3.85Å; V357-V374 HydrophobicContact CG2-CG2 3.41Å; V357-V374 VanDerWaalsContact CG2-CG2 3.41Å; V372-V374 HydrophobicContact CG1-CG2 4.16Å; V374-A384 HydrophobicContact CG1-CB 4.34Å; V374-L385 HydrophobicContact CB-CD2 4.29Å; V374-L385 HydrophobicContact CG1-CD2 4.04Å; V374-L385 WeakPolarHBondContact O-CD2 3.44Å; V374-A388 HydrophobicContact CB-CB 3.89Å; V374-A388 HydrophobicContact CG2-CB 3.52Å; V374-V390 PolarHBondContact N-O 2.98Å; V374-F392 PolarHBondContact O-N 2.54Å
375T95.5Very high90.1Very high0 Ų034.2 Ų34.20%020%0.204CC..EExtended strand (participates in β ladder)trans-110.5146.6168.782.40000110.9I23 C24 S25 D26 T30 F392 I418I23-T375 HydrophobicContact CG2-CG2 4.46Å; C24-T375 PolarHBondContact O-N 2.58Å; S25-T375 VanDerWaalsContact CA-OG1 3.28Å; S25-T375 WeakPolarHBondContact CA-OG1 3.39Å; S25-T375 PolarHBondContact OG-OG1 3.5Å; D26-T375 PolarHBondContact N-O 2.79Å; D26-T375 PolarHBondContact N-OG1 3.18Å; T30-T375 HydrophobicContact CG2-CG2 4.32Å; T30-T375 PolarHBondContact OG1-OG1 3.03Å; T375-F392 WeakPolarHBondContact CA-O 3.29Å; T375-F392 HydrophobicContact CG2-CB 4.08Å; T375-I418 HydrophobicContact CG2-CD1 3.42Å; T375-I418 VanDerWaalsContact CG2-CD1 3.42Å
376G93.2Very high90.7Very high0 Ų038.7 Ų38.70%021%0.212CC..EExtended strand (participates in β ladder)trans-162.7153177.600000113D381 F392 A393 M394G376-D381 VanDerWaalsContact CA-OD2 3.25Å; G376-D381 WeakPolarHBondContact CA-OD2 3.07Å; G376-F392 PolarHBondContact N-O 3.01Å; G376-A393 WeakPolarHBondContact O-CA 3.47Å; G376-M394 PolarHBondContact O-N 3.4Å
377D91.4Very high91.5Very high29 Ų2940.3 Ų40.316%0.15521%0.214CC..  trans-119.2-32.9177.466.5-25000111.7D381 M394 G398 T399D377-D381 PolarHBondContact N-OD2 3.43Å; D377-M394 HydrophobicContact CB-CB 4.1Å; D377-M394 HydrophobicContact CB-CG 3.75Å; D377-G398 WeakPolarHBondContact O-CA 3.17Å; D377-T399 PolarHBondContact O-N 3.1Å; D377-T399 PolarHBondContact O-OG1 3.16Å; D377-T399 VanDerWaalsContact O-OG1 3.07Å
378G88.7Confident92.5Very high19 Ų1933.7 Ų33.720%0.19618%0.181CC..SBendtrans-89.7161.1-175.300000114.8N380 D381G378-N380 PolarHBondContact O-N 3.23Å; G378-N380 VanDerWaalsContact O-N 3.15Å; G378-D381 PolarHBondContact N-OD2 2.89Å; G378-D381 WeakPolarHBondContact O-CB 3.35Å; G378-D381 PolarHBondContact O-N 3.46Å
379T91Very high93.4Very high77 Ų7731.2 Ų31.247%0.47217%0.167SC..G310 helixtrans-57.1-28.5171.856.20000112.6D381 G382 T399 V401T379-D381 PolarHBondContact O-N 2.77Å; T379-G382 PolarHBondContact O-N 2.84Å; T379-T399 HydrophobicContact CG2-CG2 4.12Å; T379-T399 PolarHBondContact N-OG1 3.06Å; T379-V401 HydrophobicContact CG2-CB 4.05Å; T379-V401 HydrophobicContact CG2-CG2 4.07Å
380N90.5Very high93.9Very high101 Ų10129.3 Ų29.354%0.5416%0.16SC..G310 helixtrans-63.7-23.9176.7-73.5-23.5000113.4P350 G378P350-N380 WeakPolarHBondContact CB-O 3.13Å; P350-N380 HydrophobicContact CG-CB 3.89Å; G378-N380 PolarHBondContact O-N 3.23Å; G378-N380 VanDerWaalsContact O-N 3.15Å
381D93.5Very high94.2Very high9 Ų928.2 Ų28.25%0.04816%0.155CC..G310 helixtrans-89.5-16.6-177.5-57.6-35.6000112.4K353 G376 D377 G378 T379 A384 L385K353-D381 WeakPolarHBondContact CD-OD1 3.37Å; K353-D381 WeakPolarHBondContact CE-OD1 3.15Å; K353-D381 IonicContact NZ-OD1 2.84Å; K353-D381 PolarHBondContact NZ-OD1 3.05Å; K353-D381 IonicContact NZ-OD2 2.82Å; G376-D381 VanDerWaalsContact CA-OD2 3.25Å; G376-D381 WeakPolarHBondContact CA-OD2 3.07Å; D377-D381 PolarHBondContact N-OD2 3.43Å; G378-D381 PolarHBondContact N-OD2 2.89Å; G378-D381 WeakPolarHBondContact O-CB 3.35Å; G378-D381 PolarHBondContact O-N 3.46Å; T379-D381 PolarHBondContact O-N 2.77Å; D381-A384 PolarHBondContact O-N 2.85Å; D381-L385 HydrophobicContact CB-CD1 4.05Å; D381-L385 HydrophobicContact CB-CG 4.25Å; D381-L385 WeakPolarHBondContact O-CG 3.4Å; D381-L385 PolarHBondContact O-N 3.18Å
382G93.9Very high94.4Very high7 Ų728 Ų287%0.07215%0.154CC..Hα-helixtrans-47.4-50.1-176.900000114.3T379 A384 L385 K386T379-G382 PolarHBondContact O-N 2.84Å; G382-A384 VanDerWaalsContact C-N 3.31Å; G382-A384 PolarHBondContact O-N 2.91Å; G382-L385 PolarHBondContact O-N 3.32Å; G382-K386 WeakPolarHBondContact O-CB 3.16Å; G382-K386 PolarHBondContact O-N 3.35Å
383P95Very high94.4Very high69 Ų6928 Ų2845%0.44815%0.154SC..Hα-helixtrans-61.1-36.9177.8-2535000113.9Y354 K387Y354-P383 HydrophobicContact CD2-CB 4.25Å; Y354-P383 WeakPolarHBondContact CD2-O 3.38Å; P383-K387 WeakPolarHBondContact O-CB 3.26Å; P383-K387 PolarHBondContact O-N 3.05Å
384A95.4Very high94.2Very high1 Ų128 Ų281%0.00815%0.153CC..Hα-helixtrans-76.7-39179.600000111.7K353 V357 V374 D381 G382 K387 A388K353-A384 HydrophobicContact CB-CB 4.39Å; K353-A384 HydrophobicContact CD-CB 4.04Å; K353-A384 HydrophobicContact CG-CB 3.74Å; V357-A384 HydrophobicContact CG2-CB 4.48Å; V374-A384 HydrophobicContact CG1-CB 4.34Å; D381-A384 PolarHBondContact O-N 2.85Å; G382-A384 VanDerWaalsContact C-N 3.31Å; G382-A384 PolarHBondContact O-N 2.91Å; A384-K387 PolarHBondContact O-N 2.75Å; A384-A388 PolarHBondContact O-N 3.12Å
385L95.4Very high93.9Very high0 Ų028.9 Ų28.90%016%0.163CC..Hα-helixtrans-57.8-49.8174.2-72.4170.5000111V374 D381 G382 K387 A388 F392 A402 A405V374-L385 HydrophobicContact CB-CD2 4.29Å; V374-L385 HydrophobicContact CG1-CD2 4.04Å; V374-L385 WeakPolarHBondContact O-CD2 3.44Å; D381-L385 HydrophobicContact CB-CD1 4.05Å; D381-L385 HydrophobicContact CB-CG 4.25Å; D381-L385 WeakPolarHBondContact O-CG 3.4Å; D381-L385 PolarHBondContact O-N 3.18Å; G382-L385 PolarHBondContact O-N 3.32Å; L385-K387 VanDerWaalsContact C-N 3.26Å; L385-K387 PolarHBondContact O-N 3.07Å; L385-A388 WeakPolarHBondContact O-CB 3.19Å; L385-A388 PolarHBondContact O-N 2.85Å; L385-F392 VanDerWaalsContact CD2-O 3.31Å; L385-F392 WeakPolarHBondContact CD2-O 3.06Å; L385-A402 HydrophobicContact CD1-CB 4.02Å; L385-A405 HydrophobicContact CB-CB 4.26Å
386K95Very high93.6Very high159 Ų15934.9 Ų34.969%0.69119%0.194SC*.Hα-helixtrans-68-24179.9-170.8168.3-174170.50113.9G382 A405G382-K386 WeakPolarHBondContact O-CB 3.16Å; G382-K386 PolarHBondContact O-N 3.35Å; K386-A405 HydrophobicContact CB-CB 4.45Å; K386-A405 PolarHBondContact N-O 2.78Å
387K94.9Very high93.2Very high71 Ų7136.8 Ų36.831%0.30921%0.21SC..Hα-helixtrans-89.1-22.5179.9-177.955.2-172.11650113Y354 K358 I361 P383 A384 L385Y354-K387 HydrophobicContact CD2-CB 3.95Å; Y354-K387 HydrophobicContact CD2-CG 4.14Å; Y354-K387 HydrophobicContact CE2-CB 3.62Å; Y354-K387 HydrophobicContact CE2-CD 4.24Å; Y354-K387 HydrophobicContact CE2-CG 3.59Å; K358-K387 HydrophobicContact CB-CG 4.21Å; I361-K387 VanDerWaalsContact CD1-O 3.23Å; I361-K387 WeakPolarHBondContact CD1-O 3.16Å; P383-K387 WeakPolarHBondContact O-CB 3.26Å; P383-K387 PolarHBondContact O-N 3.05Å; A384-K387 PolarHBondContact O-N 2.75Å; L385-K387 VanDerWaalsContact C-N 3.26Å; L385-K387 PolarHBondContact O-N 3.07Å
388A95.4Very high93Very high13 Ų1335.8 Ų35.811%0.10721%0.206CC..SBendtrans-57.9158.6176.400000111.1V357 V374 A384 L385V357-A388 HydrophobicContact CG1-CB 4.31Å; V374-A388 HydrophobicContact CB-CB 3.89Å; V374-A388 HydrophobicContact CG2-CB 3.52Å; A384-A388 PolarHBondContact O-N 3.12Å; L385-A388 WeakPolarHBondContact O-CB 3.19Å; L385-A388 PolarHBondContact O-N 2.85Å
389D94.6Very high93.2Very high30 Ų3037.2 Ų37.216%0.1621%0.211CC..SBendtrans-70.2-28166.9-59.6-72000110.4T16 V371 V372 R499T16-D389 HydrophobicContact CG2-CB 3.83Å; V371-D389 WeakPolarHBondContact CA-OD2 3.39Å; V371-D389 HydrophobicContact CG1-CB 3.84Å; V372-D389 PolarHBondContact N-OD2 3.13Å; V372-D389 PolarHBondContact O-N 2.98Å; D389-R499 IonicContact OD1-CZ 3.1Å; D389-R499 IonicContact OD1-NH1 2.77Å; D389-R499 IonicContact OD1-NH2 3.34Å; D389-R499 PolarHBondContact OD1-NH2 2.94Å
390V96Very high93.3Very high1 Ų139.4 Ų39.41%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-144.1116.5169.8-176.10000110.8A13 T16 M17 V372 A373 V374 F392 D407 I408A13-V390 HydrophobicContact CB-CG1 4.27Å; A13-V390 HydrophobicContact CB-CG2 4.44Å; T16-V390 HydrophobicContact CG2-CG2 3.79Å; M17-V390 HydrophobicContact CB-CG2 4.17Å; M17-V390 HydrophobicContact SD-CB 4.16Å; M17-V390 HydrophobicContact SD-CG1 4.13Å; M17-V390 HydrophobicContact SD-CG2 4.24Å; V372-V390 PolarHBondContact O-N 3.48Å; A373-V390 CarbonylContact C-O 3.59Å; A373-V390 WeakPolarHBondContact CA-O 3.46Å; A373-V390 HydrophobicContact CB-CB 4.36Å; V374-V390 PolarHBondContact N-O 2.98Å; V390-F392 HydrophobicContact CB-CE2 4.32Å; V390-F392 HydrophobicContact CG1-CD2 4.13Å; V390-F392 HydrophobicContact CG1-CE2 3.54Å; V390-F392 HydrophobicContact CG1-CZ 3.95Å; V390-D407 WeakPolarHBondContact CA-OD2 3.18Å; V390-I408 HydrophobicContact CG1-CD1 4.01Å; V390-I408 HydrophobicContact CG1-CG1 4.4Å
391G96.9Very high93.5Very high0 Ų038.7 Ų38.70%022%0.219CC..EExtended strand (participates in β ladder)trans-92.9131172.300000112.6S406 D407 I408G391-S406 WeakPolarHBondContact O-CB 2.97Å; G391-D407 PolarHBondContact N-OD2 2.92Å; G391-D407 PolarHBondContact O-N 2.81Å; G391-I408 PolarHBondContact O-N 2.8Å
392F96.9Very high93.5Very high0 Ų038.3 Ų38.30%022%0.217CC..EExtended strand (participates in β ladder)trans-109.9120.5173.2-70.6-92000111.4M17 A373 V374 T375 G376 L385 V390 I408 L410 I418 A421M17-F392 HydrophobicContact CE-CE2 3.79Å; M17-F392 HydrophobicContact CE-CZ 3.9Å; M17-F392 HydrophobicContact CG-CZ 4.05Å; M17-F392 HydrophobicContact SD-CE2 3.53Å; M17-F392 VanDerWaalsContact SD-CE2 3.53Å; M17-F392 HydrophobicContact SD-CZ 3.65Å; A373-F392 HydrophobicContact CB-CD2 4.35Å; A373-F392 HydrophobicContact CB-CE2 3.97Å; V374-F392 PolarHBondContact O-N 2.54Å; T375-F392 WeakPolarHBondContact CA-O 3.29Å; T375-F392 HydrophobicContact CG2-CB 4.08Å; G376-F392 PolarHBondContact N-O 3.01Å; L385-F392 VanDerWaalsContact CD2-O 3.31Å; L385-F392 WeakPolarHBondContact CD2-O 3.06Å; V390-F392 HydrophobicContact CB-CE2 4.32Å; V390-F392 HydrophobicContact CG1-CD2 4.13Å; V390-F392 HydrophobicContact CG1-CE2 3.54Å; V390-F392 HydrophobicContact CG1-CZ 3.95Å; F392-I408 CarbonylContact C-O 3.52Å; F392-I408 VanDerWaalsContact CA-O 3.25Å; F392-I408 WeakPolarHBondContact CA-O 3.4Å; F392-I408 HydrophobicContact CD1-CB 3.85Å; F392-I408 HydrophobicContact CD1-CG2 3.91Å; F392-I408 HydrophobicContact CE1-CB 3.83Å; F392-I408 HydrophobicContact CE1-CD1 3.88Å; F392-I408 HydrophobicContact CE1-CG1 4.41Å; F392-I408 HydrophobicContact CE1-CG2 3.76Å; F392-I408 HydrophobicContact CZ-CD1 3.96Å; F392-L410 HydrophobicContact CB-CD1 4.46Å; F392-L410 HydrophobicContact CD1-CD1 4.33Å; F392-L410 HydrophobicContact CD1-CD2 3.69Å; F392-L410 HydrophobicContact CD1-CG 3.98Å; F392-L410 HydrophobicContact CE1-CD2 4.11Å; F392-I418 HydrophobicContact CD1-CG1 4.13Å; F392-I418 HydrophobicContact CE1-CG1 4.22Å; F392-I418 HydrophobicContact CE1-CG2 4.34Å; F392-I418 HydrophobicContact CE2-CG2 4.13Å; F392-I418 HydrophobicContact CG-CG1 4.44Å; F392-I418 HydrophobicContact CZ-CG2 3.96Å; F392-A421 HydrophobicContact CE1-CB 4.09Å; F392-A421 HydrophobicContact CZ-CB 4.13Å
393A95.6Very high93.5Very high0 Ų040 Ų400%022%0.222CC..EExtended strand (participates in β ladder)trans-100.8149.3169.500000112.2G376 K403 S406 I408 I409 L410G376-A393 WeakPolarHBondContact O-CA 3.47Å; A393-K403 HydrophobicContact CB-CB 4.43Å; A393-K403 HydrophobicContact CB-CG 4.06Å; A393-S406 WeakPolarHBondContact CB-OG 3.31Å; A393-I408 PolarHBondContact N-O 3.24Å; A393-I409 HydrophobicContact CB-CG1 4.41Å; A393-I409 WeakPolarHBondContact O-CA 3.48Å; A393-L410 PolarHBondContact O-N 3.31Å
394M93.4Very high93.5Very high0 Ų042.8 Ų42.80%023%0.229CC..EExtended strand (participates in β ladder)trans-73.6130.5169.6-61.2-53.8125.300110.4T30 G376 D377 A397 G398 K403 L410 D413T30-M394 HydrophobicContact CG2-CE 3.9Å; T30-M394 WeakPolarHBondContact OG1-CE 3.21Å; G376-M394 PolarHBondContact O-N 3.4Å; D377-M394 HydrophobicContact CB-CB 4.1Å; D377-M394 HydrophobicContact CB-CG 3.75Å; M394-A397 HydrophobicContact CB-CB 4.4Å; M394-G398 WeakPolarHBondContact O-CA 3.38Å; M394-G398 PolarHBondContact O-N 3.28Å; M394-K403 WeakPolarHBondContact O-CE 3.48Å; M394-L410 HydrophobicContact CE-CD1 3.82Å; M394-L410 HydrophobicContact SD-CD1 4.28Å; M394-D413 WeakPolarHBondContact CA-OD1 3.33Å; M394-D413 WeakPolarHBondContact CB-OD1 3.47Å; M394-D413 HydrophobicContact SD-CB 3.9Å
395G90.9Very high93.5Very high20 Ų2043.6 Ų43.621%0.20624%0.236CC..SBendtrans-75.4-40.2-179.700000112.6K403 L410 D413G395-K403 WeakPolarHBondContact O-CE 3.4Å; G395-K403 PolarHBondContact O-NZ 3.43Å; G395-L410 VanDerWaalsContact CA-O 3.26Å; G395-L410 WeakPolarHBondContact CA-O 3.38Å; G395-L410 PolarHBondContact N-O 2.98Å; G395-D413 PolarHBondContact N-OD1 2.89Å
396I88.4Confident93.4Very high127 Ų12743.6 Ų43.665%0.65124%0.236SC*.SBendtrans-91.3-56.4-175.2-55168000110.1D413I396-D413 WeakPolarHBondContact CB-OD2 3.37Å; I396-D413 PolarHBondContact N-OD1 3.4Å
397A84.8Confident93.5Very high40 Ų4037.5 Ų37.533%0.33121%0.211SC..SBendtrans-83.5-15.7-177.300000113.9M394 D413M394-A397 HydrophobicContact CB-CB 4.4Å; A397-D413 WeakPolarHBondContact CB-OD2 3.3Å; A397-D413 PolarHBondContact N-OD2 2.8Å
398G87.3Confident93.5Very high7 Ų734.1 Ų34.17%0.07220%0.196CC..  trans-76.7138.9-172.800000113.9D377 M394 K403D377-G398 WeakPolarHBondContact O-CA 3.17Å; M394-G398 WeakPolarHBondContact O-CA 3.38Å; M394-G398 PolarHBondContact O-N 3.28Å; G398-K403 WeakPolarHBondContact O-CE 3.41Å; G398-K403 PolarHBondContact O-NZ 3.23Å; G398-K403 VanDerWaalsContact O-NZ 3.16Å
399T92.1Very high93.6Very high50 Ų5034.5 Ų34.531%0.30720%0.196SC..  trans-67.5152.9172.558.40000111.3D377 T379 V401 A402 K403D377-T399 PolarHBondContact O-N 3.1Å; D377-T399 PolarHBondContact O-OG1 3.16Å; D377-T399 VanDerWaalsContact O-OG1 3.07Å; T379-T399 HydrophobicContact CG2-CG2 4.12Å; T379-T399 PolarHBondContact N-OG1 3.06Å; T399-V401 PolarHBondContact O-N 3.5Å; T399-A402 WeakPolarHBondContact O-CB 3.4Å; T399-A402 PolarHBondContact O-N 2.93Å; T399-A402 WeakPolarHBondContact OG1-CB 3.15Å; T399-A402 PolarHBondContact OG1-N 3.17Å; T399-K403 PolarHBondContact O-N 3.09Å
400D94.3Very high93.6Very high123 Ų12333 Ų3366%0.65819%0.188SC*.Hα-helixtrans-61.2-34.8179.6-61-34.4000112.2A402 K403 E404D400-A402 VanDerWaalsContact C-N 3.34Å; D400-A402 PolarHBondContact O-N 3.47Å; D400-K403 PolarHBondContact O-N 2.75Å; D400-E404 WeakPolarHBondContact O-CB 3.4Å; D400-E404 WeakPolarHBondContact O-CG 3.22Å; D400-E404 PolarHBondContact O-N 2.98Å
401V94.5Very high93.4Very high86 Ų8635.6 Ų35.652%0.52120%0.204SC..Hα-helixtrans-62.5-40.4174.8-177.50000111.6T379 T399 A405T379-V401 HydrophobicContact CG2-CB 4.05Å; T379-V401 HydrophobicContact CG2-CG2 4.07Å; T399-V401 PolarHBondContact O-N 3.5Å; V401-A405 VanDerWaalsContact O-CB 3.32Å; V401-A405 WeakPolarHBondContact O-CB 3.25Å; V401-A405 PolarHBondContact O-N 3.46Å
402A93.2Very high93.1Very high0 Ų037.5 Ų37.50%021%0.214CC..Hα-helixtrans-68.4-43.1177.200000111.3L385 T399 D400 E404 A405 S406L385-A402 HydrophobicContact CD1-CB 4.02Å; T399-A402 WeakPolarHBondContact O-CB 3.4Å; T399-A402 PolarHBondContact O-N 2.93Å; T399-A402 WeakPolarHBondContact OG1-CB 3.15Å; T399-A402 PolarHBondContact OG1-N 3.17Å; D400-A402 VanDerWaalsContact C-N 3.34Å; D400-A402 PolarHBondContact O-N 3.47Å; A402-E404 VanDerWaalsContact C-N 3.34Å; A402-E404 PolarHBondContact O-N 2.77Å; A402-A405 PolarHBondContact O-N 3.17Å; A402-S406 WeakPolarHBondContact O-CB 3.36Å; A402-S406 PolarHBondContact O-N 2.85Å; A402-S406 VanDerWaalsContact O-N 3.15Å
403K94.3Very high92.8Very high42 Ų4237.8 Ų37.818%0.18322%0.216CC..Hα-helixtrans-58.6-46.3175.4-70.1171.2179.9165.60111.4R9 A393 M394 G395 G398 T399 D400 A405 S406 I409R9-K403 PolarHBondContact NH1-O 2.96Å; A393-K403 HydrophobicContact CB-CB 4.43Å; A393-K403 HydrophobicContact CB-CG 4.06Å; M394-K403 WeakPolarHBondContact O-CE 3.48Å; G395-K403 WeakPolarHBondContact O-CE 3.4Å; G395-K403 PolarHBondContact O-NZ 3.43Å; G398-K403 WeakPolarHBondContact O-CE 3.41Å; G398-K403 PolarHBondContact O-NZ 3.23Å; G398-K403 VanDerWaalsContact O-NZ 3.16Å; T399-K403 PolarHBondContact O-N 3.09Å; D400-K403 PolarHBondContact O-N 2.75Å; K403-A405 VanDerWaalsContact C-N 3.32Å; K403-A405 PolarHBondContact O-N 2.84Å; K403-S406 PolarHBondContact O-N 3.16Å; K403-S406 PolarHBondContact O-OG 2.77Å; K403-I409 HydrophobicContact CB-CD1 4.03Å; K403-I409 HydrophobicContact CB-CG1 4.49Å; K403-I409 HydrophobicContact CG-CD1 4.22Å; K403-I409 HydrophobicContact CG-CG1 4.48Å
404E94.8Very high92.5Very high129 Ų12938.9 Ų38.960%0.60322%0.221SC*.Hα-helixtrans-67.1-29.6178.4-75.5-56.111900113.8R9 D400 A402R9-E404 IonicContact CZ-OE1 2.66Å; R9-E404 IonicContact CZ-OE2 3.52Å; R9-E404 PolarHBondContact NH1-O 2.69Å; R9-E404 IonicContact NH2-OE1 3.11Å; R9-E404 PolarHBondContact NH2-OE1 3.18Å; R9-E404 IonicContact NH2-OE2 3.41Å; R9-E404 PolarHBondContact NH2-OE2 3.05Å; D400-E404 WeakPolarHBondContact O-CB 3.4Å; D400-E404 WeakPolarHBondContact O-CG 3.22Å; D400-E404 PolarHBondContact O-N 2.98Å; A402-E404 VanDerWaalsContact C-N 3.34Å; A402-E404 PolarHBondContact O-N 2.77Å
405A94.1Very high92.5Very high18 Ų1838.9 Ų38.915%0.14922%0.221CC..Hα-helixtrans-82.6-10.2176.200000114.3L385 K386 V401 A402 K403L385-A405 HydrophobicContact CB-CB 4.26Å; K386-A405 HydrophobicContact CB-CB 4.45Å; K386-A405 PolarHBondContact N-O 2.78Å; V401-A405 VanDerWaalsContact O-CB 3.32Å; V401-A405 WeakPolarHBondContact O-CB 3.25Å; V401-A405 PolarHBondContact O-N 3.46Å; A402-A405 PolarHBondContact O-N 3.17Å; K403-A405 VanDerWaalsContact C-N 3.32Å; K403-A405 PolarHBondContact O-N 2.84Å
406S94.7Very high92.6Very high0 Ų040 Ų400%022%0.224CC..  trans-100.1157.3-17472.50000113.3R9 G391 A393 A402 K403R9-S406 WeakPolarHBondContact CD-O 3.42Å; R9-S406 PolarHBondContact NH1-O 2.72Å; G391-S406 WeakPolarHBondContact O-CB 2.97Å; A393-S406 WeakPolarHBondContact CB-OG 3.31Å; A402-S406 WeakPolarHBondContact O-CB 3.36Å; A402-S406 PolarHBondContact O-N 2.85Å; A402-S406 VanDerWaalsContact O-N 3.15Å; K403-S406 PolarHBondContact O-N 3.16Å; K403-S406 PolarHBondContact O-OG 2.77Å
407D96.4Very high92.9Very high31 Ų3134 Ų3417%0.16619%0.194CC..SBendtrans-92.9-30.1176.8-49.1-66000112.7R9 H10 A13 V390 G391R9-D407 WeakPolarHBondContact CB-O 3.45Å; R9-D407 PolarHBondContact N-O 2.77Å; H10-D407 HydrophobicContact CB-CB 4.23Å; H10-D407 IonicContact CD2-OD1 3.84Å; H10-D407 PolarHBondContact CD2-OD1 3.02Å; H10-D407 IonicContact CG-OD1 2.63Å; H10-D407 PolarHBondContact N-O 2.78Å; A13-D407 HydrophobicContact CB-CB 3.42Å; A13-D407 VanDerWaalsContact CB-CB 3.42Å; V390-D407 WeakPolarHBondContact CA-OD2 3.18Å; G391-D407 PolarHBondContact N-OD2 2.92Å; G391-D407 PolarHBondContact O-N 2.81Å
408I96Very high93.3Very high0 Ų032.1 Ų32.10%018%0.178CC..EExtended strand (participates in β ladder)trans-130.7130.7-180-56.6178000109.2M1 N6 L7 V8 A13 V390 G391 F392 A393M1-I408 HydrophobicContact CE-CD1 4.39Å; N6-I408 HydrophobicContact CB-CG2 4.08Å; L7-I408 CarbonylContact O-C 3.57Å; L7-I408 WeakPolarHBondContact O-CA 3.33Å; V8-I408 HydrophobicContact CG2-CG1 4.48Å; A13-I408 HydrophobicContact CB-CD1 4.43Å; A13-I408 HydrophobicContact CB-CG1 4.31Å; V390-I408 HydrophobicContact CG1-CD1 4.01Å; V390-I408 HydrophobicContact CG1-CG1 4.4Å; G391-I408 PolarHBondContact O-N 2.8Å; F392-I408 CarbonylContact C-O 3.52Å; F392-I408 VanDerWaalsContact CA-O 3.25Å; F392-I408 WeakPolarHBondContact CA-O 3.4Å; F392-I408 HydrophobicContact CD1-CB 3.85Å; F392-I408 HydrophobicContact CD1-CG2 3.91Å; F392-I408 HydrophobicContact CE1-CB 3.83Å; F392-I408 HydrophobicContact CE1-CD1 3.88Å; F392-I408 HydrophobicContact CE1-CG1 4.41Å; F392-I408 HydrophobicContact CE1-CG2 3.76Å; F392-I408 HydrophobicContact CZ-CD1 3.96Å; A393-I408 PolarHBondContact N-O 3.24Å
409I95.7Very high93.7Very high20 Ų2032 Ų3210%0.10318%0.176CC..EExtended strand (participates in β ladder)trans-102.5124.8173.8-60.2169.7000108.9L7 R9 A393 K403 T411L7-I409 HydrophobicContact CB-CB 4.21Å; L7-I409 HydrophobicContact CD2-CB 4.46Å; L7-I409 HydrophobicContact CD2-CD1 4.22Å; L7-I409 PolarHBondContact N-O 3.18Å; L7-I409 PolarHBondContact O-N 3.24Å; R9-I409 HydrophobicContact CG-CD1 4.26Å; A393-I409 HydrophobicContact CB-CG1 4.41Å; A393-I409 WeakPolarHBondContact O-CA 3.48Å; K403-I409 HydrophobicContact CB-CD1 4.03Å; K403-I409 HydrophobicContact CB-CG1 4.49Å; K403-I409 HydrophobicContact CG-CD1 4.22Å; K403-I409 HydrophobicContact CG-CG1 4.48Å; I409-T411 PolarHBondContact O-N 2.9Å
410L94.9Very high93.7Very high0 Ų033 Ų330%018%0.176CC..EExtended strand (participates in β ladder)trans-83.2107.1174.2-59.7-179.8000109.3N5 N6 F392 A393 M394 G395 D412 D413 I418N5-L410 WeakPolarHBondContact O-CA 3.32Å; N6-L410 VanDerWaalsContact OD1-CD2 3.28Å; N6-L410 WeakPolarHBondContact OD1-CD2 3.34Å; F392-L410 HydrophobicContact CB-CD1 4.46Å; F392-L410 HydrophobicContact CD1-CD1 4.33Å; F392-L410 HydrophobicContact CD1-CD2 3.69Å; F392-L410 HydrophobicContact CD1-CG 3.98Å; F392-L410 HydrophobicContact CE1-CD2 4.11Å; A393-L410 PolarHBondContact O-N 3.31Å; M394-L410 HydrophobicContact CE-CD1 3.82Å; M394-L410 HydrophobicContact SD-CD1 4.28Å; G395-L410 VanDerWaalsContact CA-O 3.26Å; G395-L410 WeakPolarHBondContact CA-O 3.38Å; G395-L410 PolarHBondContact N-O 2.98Å; L410-D412 PolarHBondContact O-N 3Å; L410-D413 PolarHBondContact O-N 3.19Å; L410-I418 HydrophobicContact CD1-CD1 3.88Å; L410-I418 HydrophobicContact CD1-CG1 3.62Å; L410-I418 HydrophobicContact CD2-CG1 4.06Å; L410-I418 HydrophobicContact CG-CG1 4.46Å
411T92.6Very high93.7Very high55 Ų5527.2 Ų27.234%0.33715%0.145SC..THydrogen-bonded Turntrans-73.1-13.9-173.161.20000113.6N5 L7 I409N5-T411 WeakPolarHBondContact CA-OG1 3.48Å; N5-T411 VanDerWaalsContact CB-OG1 3.26Å; N5-T411 WeakPolarHBondContact CB-OG1 3.3Å; N5-T411 PolarHBondContact O-N 3.41Å; N5-T411 PolarHBondContact O-OG1 2.74Å; L7-T411 HydrophobicContact CB-CG2 4.14Å; I409-T411 PolarHBondContact O-N 2.9Å
412D90.4Very high93.7Very high39 Ų3923.1 Ų23.121%0.20912%0.121CC..THydrogen-bonded Turntrans-113.53.3-179.166.3-11000114.1N5 L410 N414 S417N5-D412 HydrophobicContact CB-CB 4.01Å; N5-D412 VanDerWaalsContact CB-CG 3.48Å; N5-D412 PolarHBondContact ND2-OD2 3.2Å; L410-D412 PolarHBondContact O-N 3Å; D412-N414 HydrophobicContact CB-CB 4.47Å; D412-N414 PolarHBondContact O-N 3.26Å; D412-N414 VanDerWaalsContact O-N 3.12Å; D412-N414 WeakPolarHBondContact OD1-CB 3.28Å; D412-N414 PolarHBondContact OD1-N 3.17Å; D412-N414 VanDerWaalsContact OD1-N 3.16Å; D412-N414 WeakPolarHBondContact OD2-CB 3.45Å; D412-S417 VanDerWaalsContact CG-OG 3.25Å; D412-S417 PolarHBondContact OD1-OG 2.7Å; D412-S417 PolarHBondContact OD2-OG 2.94Å
413D90.3Very high93.6Very high7 Ų724.4 Ų24.44%0.03713%0.127CC..  trans50.531.7-174.8-63.63000113.6R267 M394 G395 I396 A397 L410R267-D413 PolarHBondContact NH2-O 3.35Å; M394-D413 WeakPolarHBondContact CA-OD1 3.33Å; M394-D413 WeakPolarHBondContact CB-OD1 3.47Å; M394-D413 HydrophobicContact SD-CB 3.9Å; G395-D413 PolarHBondContact N-OD1 2.89Å; I396-D413 WeakPolarHBondContact CB-OD2 3.37Å; I396-D413 PolarHBondContact N-OD1 3.4Å; A397-D413 WeakPolarHBondContact CB-OD2 3.3Å; A397-D413 PolarHBondContact N-OD2 2.8Å; L410-D413 PolarHBondContact O-N 3.19Å
414N89.6Confident93.5Very high22 Ų2225.6 Ų25.612%0.11813%0.13CC..  trans-108.4129.9-175.8-160.8-36.9000112.1E269 D412 T416 S417E269-N414 PolarHBondContact OE1-ND2 2.99Å; D412-N414 HydrophobicContact CB-CB 4.47Å; D412-N414 PolarHBondContact O-N 3.26Å; D412-N414 VanDerWaalsContact O-N 3.12Å; D412-N414 WeakPolarHBondContact OD1-CB 3.28Å; D412-N414 PolarHBondContact OD1-N 3.17Å; D412-N414 VanDerWaalsContact OD1-N 3.16Å; D412-N414 WeakPolarHBondContact OD2-CB 3.45Å; N414-T416 PolarHBondContact O-N 3.46Å; N414-T416 WeakPolarHBondContact OD1-CB 3.44Å; N414-T416 PolarHBondContact OD1-N 2.75Å; N414-T416 PolarHBondContact OD1-OG1 2.95Å; N414-T416 VanDerWaalsContact OD1-OG1 3.07Å; N414-S417 WeakPolarHBondContact O-CB 3.3Å; N414-S417 PolarHBondContact O-N 2.93Å; N414-S417 VanDerWaalsContact O-N 3.08Å
415F93.5Very high93.4Very high0 Ų019.5 Ų19.50%010%0.102CC..Hα-helixtrans-58.6-29173.7-168.7-91.8000113I23 T30 L31 V270 A273 I274 V284 S417 I418 V419I23-F415 HydrophobicContact CD1-CZ 4.25Å; I23-F415 HydrophobicContact CG2-CE2 3.97Å; I23-F415 HydrophobicContact CG2-CZ 4.27Å; T30-F415 HydrophobicContact CG2-CB 4.29Å; T30-F415 HydrophobicContact CG2-CD2 3.88Å; L31-F415 HydrophobicContact CD2-CB 4.46Å; L31-F415 HydrophobicContact CD2-CD2 3.79Å; L31-F415 HydrophobicContact CD2-CE2 4.26Å; L31-F415 HydrophobicContact CD2-CG 4.13Å; V270-F415 HydrophobicContact CG2-CB 3.99Å; A273-F415 HydrophobicContact CB-CD1 3.81Å; A273-F415 HydrophobicContact CB-CE1 4.37Å; I274-F415 HydrophobicContact CG1-CD1 4.18Å; I274-F415 HydrophobicContact CG1-CE1 3.72Å; I274-F415 HydrophobicContact CG1-CZ 4.18Å; V284-F415 HydrophobicContact CG1-CE2 4.34Å; V284-F415 HydrophobicContact CG1-CZ 4.02Å; V284-F415 HydrophobicContact CG2-CZ 3.98Å; F415-S417 PolarHBondContact O-N 3.33Å; F415-I418 HydrophobicContact CD2-CD1 3.67Å; F415-I418 HydrophobicContact CE2-CD1 3.97Å; F415-I418 HydrophobicContact CG-CD1 4.31Å; F415-I418 VanDerWaalsContact O-CB 3.29Å; F415-I418 WeakPolarHBondContact O-CB 3.22Å; F415-I418 PolarHBondContact O-N 3.32Å; F415-V419 HydrophobicContact CE1-CG2 4.48Å
416T93Very high93.2Very high43 Ų4318.8 Ų18.826%0.26410%0.095SC..Hα-helixtrans-58.7-34176.7-55.10000112.1E269 N414 I418 V419 K420E269-T416 WeakPolarHBondContact CG-OG1 3.45Å; N414-T416 PolarHBondContact O-N 3.46Å; N414-T416 WeakPolarHBondContact OD1-CB 3.44Å; N414-T416 PolarHBondContact OD1-N 2.75Å; N414-T416 PolarHBondContact OD1-OG1 2.95Å; N414-T416 VanDerWaalsContact OD1-OG1 3.07Å; T416-I418 PolarHBondContact O-N 3.4Å; T416-V419 WeakPolarHBondContact O-CB 3.49Å; T416-V419 PolarHBondContact O-N 2.93Å; T416-V419 VanDerWaalsContact O-N 3.1Å; T416-K420 PolarHBondContact O-N 3.36Å
417S93.7Very high92.9Very high2 Ų219.1 Ų19.11%0.01410%0.097CC..Hα-helixtrans-64.9-29.1177.9-61.50000111.9N6 D412 N414 F415 K420 A421N6-S417 PolarHBondContact ND2-O 3.25Å; N6-S417 PolarHBondContact OD1-O 3.01Å; D412-S417 VanDerWaalsContact CG-OG 3.25Å; D412-S417 PolarHBondContact OD1-OG 2.7Å; D412-S417 PolarHBondContact OD2-OG 2.94Å; N414-S417 WeakPolarHBondContact O-CB 3.3Å; N414-S417 PolarHBondContact O-N 2.93Å; N414-S417 VanDerWaalsContact O-N 3.08Å; F415-S417 PolarHBondContact O-N 3.33Å; S417-K420 WeakPolarHBondContact O-CB 3.36Å; S417-K420 PolarHBondContact O-N 3.44Å; S417-A421 PolarHBondContact O-N 2.75Å
418I94.7Very high92.5Very high0 Ų019.9 Ų19.90%010%0.103CC..Hα-helixtrans-67.1-40.6173.3-55.4173000110.6M17 I23 T375 F392 L410 F415 T416 K420 A421 V422M17-I418 HydrophobicContact CE-CG2 3.68Å; I23-I418 HydrophobicContact CD1-CG2 3.97Å; T375-I418 HydrophobicContact CG2-CD1 3.42Å; T375-I418 VanDerWaalsContact CG2-CD1 3.42Å; F392-I418 HydrophobicContact CD1-CG1 4.13Å; F392-I418 HydrophobicContact CE1-CG1 4.22Å; F392-I418 HydrophobicContact CE1-CG2 4.34Å; F392-I418 HydrophobicContact CE2-CG2 4.13Å; F392-I418 HydrophobicContact CG-CG1 4.44Å; F392-I418 HydrophobicContact CZ-CG2 3.96Å; L410-I418 HydrophobicContact CD1-CD1 3.88Å; L410-I418 HydrophobicContact CD1-CG1 3.62Å; L410-I418 HydrophobicContact CD2-CG1 4.06Å; L410-I418 HydrophobicContact CG-CG1 4.46Å; F415-I418 HydrophobicContact CD2-CD1 3.67Å; F415-I418 HydrophobicContact CE2-CD1 3.97Å; F415-I418 HydrophobicContact CG-CD1 4.31Å; F415-I418 VanDerWaalsContact O-CB 3.29Å; F415-I418 WeakPolarHBondContact O-CB 3.22Å; F415-I418 PolarHBondContact O-N 3.32Å; T416-I418 PolarHBondContact O-N 3.4Å; I418-K420 VanDerWaalsContact C-N 3.25Å; I418-K420 PolarHBondContact O-N 3.33Å; I418-A421 WeakPolarHBondContact O-CB 3.4Å; I418-A421 PolarHBondContact O-N 3.01Å; I418-A421 VanDerWaalsContact O-N 3.1Å; I418-V422 PolarHBondContact O-N 3.17Å
419V94.5Very high91.9Very high6 Ų620.7 Ų20.74%0.03611%0.106CC..Hα-helixtrans-60.1-40.9175.4-172.30000110.4A273 K276 F415 T416 V422 M423 L492A273-V419 HydrophobicContact CB-CG2 3.84Å; K276-V419 HydrophobicContact CB-CG1 4.16Å; K276-V419 HydrophobicContact CD-CG1 4.47Å; F415-V419 HydrophobicContact CE1-CG2 4.48Å; T416-V419 WeakPolarHBondContact O-CB 3.49Å; T416-V419 PolarHBondContact O-N 2.93Å; T416-V419 VanDerWaalsContact O-N 3.1Å; V419-V422 WeakPolarHBondContact O-CB 3.25Å; V419-V422 PolarHBondContact O-N 3.04Å; V419-M423 WeakPolarHBondContact O-CG 3.42Å; V419-M423 PolarHBondContact O-N 3.08Å; V419-M423 VanDerWaalsContact O-N 3.11Å; V419-L492 HydrophobicContact CG1-CD1 3.76Å
420K93.5Very high91.4Very high71 Ų7120.1 Ų20.131%0.30910%0.103SC..Hα-helixtrans-65.3-38.6174.8-63.6-175.7173-169.10112D4 T416 S417 I418 V422 M423 W424D4-K420 HydrophobicContact CB-CB 4.39Å; D4-K420 HydrophobicContact CB-CD 3.77Å; D4-K420 WeakPolarHBondContact OD1-CD 3.47Å; D4-K420 IonicContact OD1-NZ 2.71Å; D4-K420 PolarHBondContact OD1-NZ 2.96Å; T416-K420 PolarHBondContact O-N 3.36Å; S417-K420 WeakPolarHBondContact O-CB 3.36Å; S417-K420 PolarHBondContact O-N 3.44Å; I418-K420 VanDerWaalsContact C-N 3.25Å; I418-K420 PolarHBondContact O-N 3.33Å; K420-V422 VanDerWaalsContact C-N 3.32Å; K420-V422 PolarHBondContact O-N 3.39Å; K420-M423 WeakPolarHBondContact O-CB 3.2Å; K420-M423 PolarHBondContact O-N 3.41Å; K420-M423 VanDerWaalsContact O-N 3.15Å; K420-W424 VanDerWaalsContact O-CD1 3.29Å; K420-W424 PolarHBondContact O-N 3.31Å
421A94Very high91Very high0 Ų020.4 Ų20.40%011%0.105CC..Hα-helixtrans-60.5-41.6174.500000111.9M1 M17 F392 S417 I418 M423 W424 G425M1-A421 HydrophobicContact CE-CB 4.05Å; M17-A421 HydrophobicContact CG-CB 4.27Å; F392-A421 HydrophobicContact CE1-CB 4.09Å; F392-A421 HydrophobicContact CZ-CB 4.13Å; S417-A421 PolarHBondContact O-N 2.75Å; I418-A421 WeakPolarHBondContact O-CB 3.4Å; I418-A421 PolarHBondContact O-N 3.01Å; I418-A421 VanDerWaalsContact O-N 3.1Å; A421-M423 VanDerWaalsContact C-N 3.32Å; A421-M423 PolarHBondContact O-N 3.32Å; A421-W424 PolarHBondContact O-N 2.92Å; A421-G425 PolarHBondContact O-N 2.79Å
422V93.8Very high90.7Very high1 Ų120.6 Ų20.61%0.00610%0.103CC..Hα-helixtrans-59.3-43.2172.8174.60000111.4M17 I282 I418 V419 K420 G425 R426 L492M17-V422 HydrophobicContact CE-CG2 3.35Å; M17-V422 HydrophobicContact CG-CG2 4.02Å; M17-V422 HydrophobicContact SD-CG2 4.45Å; I282-V422 HydrophobicContact CD1-CB 4.43Å; I282-V422 HydrophobicContact CD1-CG1 3.78Å; I282-V422 HydrophobicContact CD1-CG2 3.8Å; I418-V422 PolarHBondContact O-N 3.17Å; V419-V422 WeakPolarHBondContact O-CB 3.25Å; V419-V422 PolarHBondContact O-N 3.04Å; K420-V422 VanDerWaalsContact C-N 3.32Å; K420-V422 PolarHBondContact O-N 3.39Å; V422-G425 PolarHBondContact O-N 2.8Å; V422-R426 HydrophobicContact CG1-CG 4.41Å; V422-R426 WeakPolarHBondContact O-CB 3.4Å; V422-R426 WeakPolarHBondContact O-CG 3.39Å; V422-R426 PolarHBondContact O-N 2.83Å; V422-L492 HydrophobicContact CG1-CD2 3.93Å
423M92.2Very high90.5Very high26 Ų2618.8 Ų18.813%0.1289%0.094CC..Hα-helixtrans-61.3-46.1177.5-69.4174.754.700111.8V419 K420 A421 R426 N427 P487 E489 L492V419-M423 WeakPolarHBondContact O-CG 3.42Å; V419-M423 PolarHBondContact O-N 3.08Å; V419-M423 VanDerWaalsContact O-N 3.11Å; K420-M423 WeakPolarHBondContact O-CB 3.2Å; K420-M423 PolarHBondContact O-N 3.41Å; K420-M423 VanDerWaalsContact O-N 3.15Å; A421-M423 VanDerWaalsContact C-N 3.32Å; A421-M423 PolarHBondContact O-N 3.32Å; M423-R426 PolarHBondContact O-N 2.89Å; M423-N427 WeakPolarHBondContact O-CB 3.33Å; M423-N427 PolarHBondContact O-N 3.29Å; M423-P487 HydrophobicContact CB-CB 4.32Å; M423-E489 HydrophobicContact CE-CG 3.95Å; M423-E489 HydrophobicContact SD-CG 4.43Å; M423-L492 HydrophobicContact CG-CD1 3.7Å; M423-L492 HydrophobicContact CG-CD2 3.68Å; M423-L492 HydrophobicContact CG-CG 3.62Å; M423-L492 HydrophobicContact SD-CD1 3.74Å; M423-L492 HydrophobicContact SD-CG 4.25Å
424W92Very high90.4Very high68 Ų6819.2 Ų19.226%0.25810%0.095SC..Hα-helixtrans-61.1-47.4176.2-84.2103.1000111.6M1 D4 K420 A421 R426 N427 V428 P487M1-W424 HydrophobicContact CE-CB 4.35Å; M1-W424 HydrophobicContact CG-CB 3.74Å; M1-W424 HydrophobicContact CG-CD2 3.68Å; M1-W424 HydrophobicContact CG-CE3 4.31Å; M1-W424 HydrophobicContact CG-CG 3.38Å; M1-W424 HydrophobicContact SD-CB 3.86Å; M1-W424 HydrophobicContact SD-CG 4.19Å; D4-W424 PolarHBondContact OD2-NE1 3.35Å; K420-W424 VanDerWaalsContact O-CD1 3.29Å; K420-W424 PolarHBondContact O-N 3.31Å; A421-W424 PolarHBondContact O-N 2.92Å; W424-R426 PolarHBondContact O-N 3.47Å; W424-N427 WeakPolarHBondContact O-CB 3.49Å; W424-N427 PolarHBondContact O-N 2.76Å; W424-N427 VanDerWaalsContact O-N 3.1Å; W424-V428 WeakPolarHBondContact O-CG2 3.36Å; W424-V428 PolarHBondContact O-N 2.87Å; W424-P487 HydrophobicContact CD2-CG 3.91Å; W424-P487 HydrophobicContact CE3-CG 4.25Å; W424-P487 HydrophobicContact CG-CG 4.39Å; W424-P487 HydrophobicContact CH2-CG 4.27Å; W424-P487 HydrophobicContact CZ2-CG 3.93Å; W424-P487 HydrophobicContact CZ3-CG 4.42Å
425G90.9Very high90.3Very high0 Ų020.3 Ų20.30%010%0.099CC..Hα-helixtrans-59.8-43.8177.700000113.4C14 G18 A421 V422 N427 V428 Y429C14-G425 WeakPolarHBondContact O-CA 3.42Å; G18-G425 VanDerWaalsContact CA-C 3.46Å; A421-G425 PolarHBondContact O-N 2.79Å; V422-G425 PolarHBondContact O-N 2.8Å; G425-N427 VanDerWaalsContact C-N 3.27Å; G425-N427 PolarHBondContact O-N 3.28Å; G425-V428 PolarHBondContact O-N 3.41Å; G425-Y429 PolarHBondContact O-N 3.35Å; G425-Y429 VanDerWaalsContact O-N 3.11Å
426R90.4Very high90Very high3 Ų322 Ų221%0.01111%0.108CC..Hα-helixtrans-63.9-34.2175.4-73.2-179.5-178.5-164.21.2112.6G18 A280 V422 M423 W424 D430 L491 R494G18-R426 VanDerWaalsContact O-CG 3.25Å; G18-R426 WeakPolarHBondContact O-CG 3.36Å; G18-R426 PolarHBondContact O-NE 2.7Å; A280-R426 PolarHBondContact O-NH2 3.18Å; V422-R426 HydrophobicContact CG1-CG 4.41Å; V422-R426 WeakPolarHBondContact O-CB 3.4Å; V422-R426 WeakPolarHBondContact O-CG 3.39Å; V422-R426 PolarHBondContact O-N 2.83Å; M423-R426 PolarHBondContact O-N 2.89Å; W424-R426 PolarHBondContact O-N 3.47Å; R426-D430 PolarHBondContact O-N 2.93Å; R426-D430 VanDerWaalsContact O-N 3.15Å; R426-L491 HydrophobicContact CB-CB 4.14Å; R426-L491 HydrophobicContact CB-CD1 4.35Å; R426-L491 WeakPolarHBondContact CD-O 3.49Å; R426-L491 PolarHBondContact NH1-O 3.34Å; R426-R494 PolarHBondContact NH1-O 2.88Å
427N89.4Confident89.8Confident8 Ų820 Ų204%0.04310%0.096CC..Hα-helixtrans-71.4-42.1177.9-172.569.5000111.9M423 W424 G425 Y429 D430 S431 E485 P487 L491M423-N427 WeakPolarHBondContact O-CB 3.33Å; M423-N427 PolarHBondContact O-N 3.29Å; W424-N427 WeakPolarHBondContact O-CB 3.49Å; W424-N427 PolarHBondContact O-N 2.76Å; W424-N427 VanDerWaalsContact O-N 3.1Å; G425-N427 VanDerWaalsContact C-N 3.27Å; G425-N427 PolarHBondContact O-N 3.28Å; N427-Y429 PolarHBondContact O-N 3.02Å; N427-D430 PolarHBondContact O-N 3.3Å; N427-S431 WeakPolarHBondContact O-CB 3.46Å; N427-S431 PolarHBondContact O-N 2.91Å; N427-S431 PolarHBondContact O-OG 3.18Å; N427-E485 PolarHBondContact ND2-O 3.34Å; N427-P487 HydrophobicContact CB-CB 3.87Å; N427-L491 HydrophobicContact CB-CD1 3.74Å
428V87.4Confident89.6Confident47 Ų4720 Ų2029%0.28510%0.095SC..Hα-helixtrans-58.1-49.2174.7170.50000110.1W424 G425 D430 S431 I432W424-V428 WeakPolarHBondContact O-CG2 3.36Å; W424-V428 PolarHBondContact O-N 2.87Å; G425-V428 PolarHBondContact O-N 3.41Å; V428-D430 PolarHBondContact O-N 3.17Å; V428-S431 WeakPolarHBondContact O-CB 3.34Å; V428-S431 PolarHBondContact O-N 3.03Å; V428-S431 VanDerWaalsContact O-N 3.11Å; V428-I432 HydrophobicContact CG1-CD1 3.87Å; V428-I432 WeakPolarHBondContact O-CG1 3.01Å; V428-I432 PolarHBondContact O-N 2.88Å
429Y84.3Confident89.4Confident17 Ų1721 Ų217%0.06710%0.1CC..Hα-helixtrans-57.9-47.3177.7-174.8-86.2000112.6G425 N427 S431 I432 A433 Y497 L503G425-Y429 PolarHBondContact O-N 3.35Å; G425-Y429 VanDerWaalsContact O-N 3.11Å; N427-Y429 PolarHBondContact O-N 3.02Å; Y429-S431 VanDerWaalsContact C-N 3.28Å; Y429-S431 PolarHBondContact O-N 3.41Å; Y429-I432 PolarHBondContact O-N 2.66Å; Y429-A433 WeakPolarHBondContact O-CB 3.33Å; Y429-A433 PolarHBondContact O-N 3.42Å; Y429-Y497 AromaticContact CD1-CD2 3.67Å; Y429-Y497 HydrophobicContact CD1-CD2 3.67Å; Y429-Y497 AromaticContact CD1-CE2 3.38Å; Y429-Y497 HydrophobicContact CD1-CE2 3.38Å; Y429-Y497 HydrophobicContact CD1-CG 4.35Å; Y429-Y497 AromaticContact CD1-CZ 3.89Å; Y429-Y497 AromaticContact CE1-CD1 3.83Å; Y429-Y497 HydrophobicContact CE1-CD1 3.83Å; Y429-Y497 AromaticContact CE1-CD2 3.5Å; Y429-Y497 HydrophobicContact CE1-CD2 3.5Å; Y429-Y497 AromaticContact CE1-CE1 3.86Å; Y429-Y497 HydrophobicContact CE1-CE1 3.86Å; Y429-Y497 AromaticContact CE1-CE2 3.45Å; Y429-Y497 HydrophobicContact CE1-CE2 3.45Å; Y429-Y497 VanDerWaalsContact CE1-CE2 3.45Å; Y429-Y497 AromaticContact CE1-CG 3.71Å; Y429-Y497 HydrophobicContact CE1-CG 3.71Å; Y429-Y497 AromaticContact CE1-CZ 3.65Å; Y429-Y497 HydrophobicContact CG-CD2 4.36Å; Y429-Y497 HydrophobicContact CG-CE2 4.34Å; Y429-Y497 AromaticContact CZ-CG 3.97Å; Y429-L503 HydrophobicContact CD2-CD1 4.18Å; Y429-L503 HydrophobicContact CE1-CD1 4.25Å; Y429-L503 HydrophobicContact CE2-CD1 3.51Å
430D85.2Confident89.1Confident8 Ų823.1 Ų23.14%0.04311%0.111CC..Hα-helixtrans-64.4-34.7177.4-83.710.1000112.2R426 N427 V428 A433 K434 L491 R494 Y497 I573 H574R426-D430 PolarHBondContact O-N 2.93Å; R426-D430 VanDerWaalsContact O-N 3.15Å; N427-D430 PolarHBondContact O-N 3.3Å; V428-D430 PolarHBondContact O-N 3.17Å; D430-A433 PolarHBondContact O-N 2.91Å; D430-K434 WeakPolarHBondContact O-CD 3.41Å; D430-K434 WeakPolarHBondContact O-CG 3.36Å; D430-K434 PolarHBondContact O-N 2.88Å; D430-L491 WeakPolarHBondContact OD2-CD2 3.22Å; D430-R494 IonicContact OD1-CZ 3.12Å; D430-R494 IonicContact OD1-NH1 3.28Å; D430-R494 PolarHBondContact OD1-NH1 3.48Å; D430-R494 IonicContact OD1-NH2 2.94Å; D430-R494 PolarHBondContact OD1-NH2 2.69Å; D430-R494 IonicContact OD2-CZ 3.56Å; D430-R494 IonicContact OD2-NH1 3.88Å; D430-R494 PolarHBondContact OD2-NH1 2.77Å; D430-R494 IonicContact OD2-NH2 3.91Å; D430-R494 PolarHBondContact OD2-NH2 2.87Å; D430-Y497 PolarHBondContact OD1-OH 3.06Å; D430-I573 HydrophobicContact CB-CD1 4.46Å; D430-H574 IonicContact OD1-NE2 3.9Å; D430-H574 IonicContact OD2-NE2 3.09Å
431S86Confident89Confident6 Ų619.8 Ų19.84%0.04210%0.097CC..Hα-helixtrans-68.3-43.4179.4-56.70000111.5N427 V428 Y429 A433 K434 F435N427-S431 WeakPolarHBondContact O-CB 3.46Å; N427-S431 PolarHBondContact O-N 2.91Å; N427-S431 PolarHBondContact O-OG 3.18Å; V428-S431 WeakPolarHBondContact O-CB 3.34Å; V428-S431 PolarHBondContact O-N 3.03Å; V428-S431 VanDerWaalsContact O-N 3.11Å; Y429-S431 VanDerWaalsContact C-N 3.28Å; Y429-S431 PolarHBondContact O-N 3.41Å; S431-A433 VanDerWaalsContact C-N 3.33Å; S431-A433 PolarHBondContact O-N 3.27Å; S431-K434 PolarHBondContact O-N 3.25Å; S431-F435 WeakPolarHBondContact O-CB 3.5Å; S431-F435 PolarHBondContact O-N 2.56Å
432I85.2Confident88.9Confident58 Ų5819.8 Ų19.830%0.29710%0.097SC..Hα-helixtrans-60.6-43.8172-64.8166.6000110.3V428 Y429 F435 L436 L503V428-I432 HydrophobicContact CG1-CD1 3.87Å; V428-I432 WeakPolarHBondContact O-CG1 3.01Å; V428-I432 PolarHBondContact O-N 2.88Å; Y429-I432 PolarHBondContact O-N 2.66Å; I432-F435 PolarHBondContact O-N 3.09Å; I432-L436 HydrophobicContact CG2-CD1 4.05Å; I432-L436 HydrophobicContact CG2-CG 4.42Å; I432-L436 WeakPolarHBondContact O-CB 3.35Å; I432-L436 WeakPolarHBondContact O-CG 3.32Å; I432-L436 PolarHBondContact O-N 3.29Å; I432-L503 HydrophobicContact CG2-CD2 4.27Å
433A86.4Confident88.7Confident2 Ų221.6 Ų21.62%0.01711%0.106CC..Hα-helixtrans-64.9-41.1178.700000112.8Y429 D430 S431 L436 Q437 M508 I573Y429-A433 WeakPolarHBondContact O-CB 3.33Å; Y429-A433 PolarHBondContact O-N 3.42Å; D430-A433 PolarHBondContact O-N 2.91Å; S431-A433 VanDerWaalsContact C-N 3.33Å; S431-A433 PolarHBondContact O-N 3.27Å; A433-L436 PolarHBondContact O-N 2.98Å; A433-Q437 PolarHBondContact O-N 3.09Å; A433-M508 HydrophobicContact CB-CE 3.88Å; A433-M508 HydrophobicContact CB-SD 4.13Å; A433-M508 WeakPolarHBondContact O-CE 3.43Å; A433-I573 HydrophobicContact CB-CD1 3.59Å
434K88.2Confident88.6Confident15 Ų1523.5 Ų23.57%0.06512%0.119CC..Hα-helixtrans-59.8-47.9173.5-69.1162.3-163.5168.10111D430 S431 L436 Q437 F438 L482 E485 A570 R571 I573D430-K434 WeakPolarHBondContact O-CD 3.41Å; D430-K434 WeakPolarHBondContact O-CG 3.36Å; D430-K434 PolarHBondContact O-N 2.88Å; S431-K434 PolarHBondContact O-N 3.25Å; K434-L436 PolarHBondContact O-N 3.27Å; K434-Q437 PolarHBondContact O-N 3.24Å; K434-F438 PolarHBondContact O-N 3.05Å; K434-L482 HydrophobicContact CB-CD2 4.46Å; K434-E485 IonicContact NZ-OE2 2.7Å; K434-E485 PolarHBondContact NZ-OE2 3Å; K434-A570 WeakPolarHBondContact CG-O 3.42Å; K434-R571 WeakPolarHBondContact CD-O 3.4Å; K434-R571 WeakPolarHBondContact CE-O 3.16Å; K434-I573 HydrophobicContact CB-CG2 4.28Å; K434-I573 HydrophobicContact CG-CG2 3.72Å
435F87.3Confident88.6Confident46 Ų4620.2 Ų20.220%0.20211%0.107CC..Hα-helixtrans-57.6-48.2176.8167.4-119.6000111.8S431 I432 Q437 F438 Q439 A479S431-F435 WeakPolarHBondContact O-CB 3.5Å; S431-F435 PolarHBondContact O-N 2.56Å; I432-F435 PolarHBondContact O-N 3.09Å; F435-Q437 PolarHBondContact O-N 3.02Å; F435-F438 PolarHBondContact O-N 3.18Å; F435-Q439 HydrophobicContact CD2-CB 4.35Å; F435-Q439 HydrophobicContact CE2-CB 3.93Å; F435-Q439 HydrophobicContact CE2-CG 4.18Å; F435-Q439 HydrophobicContact CZ-CB 4.32Å; F435-Q439 VanDerWaalsContact CZ-CD 3.46Å; F435-Q439 HydrophobicContact CZ-CG 4.34Å; F435-Q439 WeakPolarHBondContact O-CB 3.41Å; F435-Q439 PolarHBondContact O-N 3.41Å; F435-A479 HydrophobicContact CD2-CB 3.46Å; F435-A479 VanDerWaalsContact CD2-CB 3.46Å; F435-A479 HydrophobicContact CE2-CB 3.29Å; F435-A479 HydrophobicContact CG-CB 4.39Å; F435-A479 HydrophobicContact CZ-CB 4.08Å
436L87Confident88.5Confident35 Ų3520.4 Ų20.418%0.18311%0.108CC..Hα-helixtrans-62.9-39.5177.3-73.6174000112.9I432 A433 K434 F438 L440 L503I432-L436 HydrophobicContact CG2-CD1 4.05Å; I432-L436 HydrophobicContact CG2-CG 4.42Å; I432-L436 WeakPolarHBondContact O-CB 3.35Å; I432-L436 WeakPolarHBondContact O-CG 3.32Å; I432-L436 PolarHBondContact O-N 3.29Å; A433-L436 PolarHBondContact O-N 2.98Å; K434-L436 PolarHBondContact O-N 3.27Å; L436-F438 VanDerWaalsContact C-N 3.3Å; L436-F438 PolarHBondContact O-N 2.87Å; L436-L440 HydrophobicContact CB-CD1 4.49Å; L436-L440 WeakPolarHBondContact O-CB 3.33Å; L436-L440 WeakPolarHBondContact O-CD1 3.48Å; L436-L440 VanDerWaalsContact O-CG 3.22Å; L436-L440 WeakPolarHBondContact O-CG 3.25Å; L436-L440 PolarHBondContact O-N 3.05Å; L436-L503 HydrophobicContact CD1-CD2 3.2Å; L436-L503 HydrophobicContact CD1-CG 3.76Å
437Q88.8Confident88.5Confident2 Ų223.7 Ų23.71%0.00913%0.129CC..Hα-helixtrans-60.7-43.7175.6-171-179.5-75.100110.8A433 K434 F435 T441 M508 N511 I512 I573A433-Q437 PolarHBondContact O-N 3.09Å; K434-Q437 PolarHBondContact O-N 3.24Å; F435-Q437 PolarHBondContact O-N 3.02Å; Q437-T441 PolarHBondContact O-N 3.23Å; Q437-T441 PolarHBondContact O-OG1 3.35Å; Q437-T441 VanDerWaalsContact O-OG1 3.07Å; Q437-M508 HydrophobicContact CB-CE 4.12Å; Q437-N511 HydrophobicContact CG-CB 4.37Å; Q437-N511 PolarHBondContact OE1-ND2 3.02Å; Q437-I512 HydrophobicContact CG-CG1 4.05Å; Q437-I573 HydrophobicContact CB-CG2 4.48Å
438F90.9Very high88.6Confident1 Ų125.5 Ų25.50%0.00414%0.14CC..Hα-helixtrans-65.8-58.7178.2172.7-104000111.9K434 F435 L436 L440 T441 V442 A478 L482 T563 E567 A570K434-F438 PolarHBondContact O-N 3.05Å; F435-F438 PolarHBondContact O-N 3.18Å; L436-F438 VanDerWaalsContact C-N 3.3Å; L436-F438 PolarHBondContact O-N 2.87Å; F438-L440 PolarHBondContact O-N 3.47Å; F438-T441 WeakPolarHBondContact O-CB 3.38Å; F438-T441 PolarHBondContact O-N 3.33Å; F438-T441 VanDerWaalsContact O-N 3.15Å; F438-V442 HydrophobicContact CD2-CG2 4.48Å; F438-V442 HydrophobicContact CE1-CG2 4.37Å; F438-V442 HydrophobicContact CE2-CG2 4.06Å; F438-V442 HydrophobicContact CZ-CG2 4.01Å; F438-V442 PolarHBondContact O-N 3.44Å; F438-A478 HydrophobicContact CD1-CB 4.11Å; F438-A478 HydrophobicContact CE1-CB 3.38Å; F438-A478 HydrophobicContact CZ-CB 3.63Å; F438-L482 HydrophobicContact CB-CD1 3.83Å; F438-L482 HydrophobicContact CD1-CD1 4.35Å; F438-L482 HydrophobicContact CG-CD1 4.11Å; F438-T563 WeakPolarHBondContact CE2-O 3.45Å; F438-E567 HydrophobicContact CD2-CB 4.01Å; F438-E567 HydrophobicContact CD2-CG 4.3Å; F438-E567 HydrophobicContact CE2-CB 3.77Å; F438-E567 HydrophobicContact CE2-CG 4.21Å; F438-A570 HydrophobicContact CB-CB 3.76Å
439Q89Confident88.7Confident22 Ų2223.3 Ų23.310%0.10313%0.126CC..Hα-helixtrans-64.8-39.6-171.8-164.9-169.917.900112.4F435 T441 V442 N443F435-Q439 HydrophobicContact CD2-CB 4.35Å; F435-Q439 HydrophobicContact CE2-CB 3.93Å; F435-Q439 HydrophobicContact CE2-CG 4.18Å; F435-Q439 HydrophobicContact CZ-CB 4.32Å; F435-Q439 VanDerWaalsContact CZ-CD 3.46Å; F435-Q439 HydrophobicContact CZ-CG 4.34Å; F435-Q439 WeakPolarHBondContact O-CB 3.41Å; F435-Q439 PolarHBondContact O-N 3.41Å; Q439-T441 VanDerWaalsContact C-N 3.32Å; Q439-T441 PolarHBondContact O-N 2.93Å; Q439-V442 PolarHBondContact O-N 2.67Å; Q439-N443 VanDerWaalsContact O-CB 3.32Å; Q439-N443 WeakPolarHBondContact O-CB 3.23Å; Q439-N443 PolarHBondContact O-N 3.03Å; Q439-N443 PolarHBondContact O-ND2 2.98Å
440L89.9Confident88.7Confident50 Ų5024.3 Ų24.326%0.26214%0.138SC..Hα-helixtrans-65.8-35.6177.5-69.4172.3000111.9L436 F438 V444 I504 I512L436-L440 HydrophobicContact CB-CD1 4.49Å; L436-L440 WeakPolarHBondContact O-CB 3.33Å; L436-L440 WeakPolarHBondContact O-CD1 3.48Å; L436-L440 VanDerWaalsContact O-CG 3.22Å; L436-L440 WeakPolarHBondContact O-CG 3.25Å; L436-L440 PolarHBondContact O-N 3.05Å; F438-L440 PolarHBondContact O-N 3.47Å; L440-V444 WeakPolarHBondContact O-CB 3.38Å; L440-V444 WeakPolarHBondContact O-CG2 3.45Å; L440-V444 PolarHBondContact O-N 2.85Å; L440-I504 HydrophobicContact CD1-CD1 3.57Å; L440-I512 HydrophobicContact CB-CD1 4.09Å; L440-I512 HydrophobicContact CB-CG2 4.4Å; L440-I512 HydrophobicContact CD1-CD1 4.04Å
441T91.4Very high88.8Confident1 Ų129.5 Ų29.51%0.00616%0.16CC..Hα-helixtrans-62.5-48.7174.2-67.20000111.1Q437 F438 Q439 V444 V445 I512 H515 S516Q437-T441 PolarHBondContact O-N 3.23Å; Q437-T441 PolarHBondContact O-OG1 3.35Å; Q437-T441 VanDerWaalsContact O-OG1 3.07Å; F438-T441 WeakPolarHBondContact O-CB 3.38Å; F438-T441 PolarHBondContact O-N 3.33Å; F438-T441 VanDerWaalsContact O-N 3.15Å; Q439-T441 VanDerWaalsContact C-N 3.32Å; Q439-T441 PolarHBondContact O-N 2.93Å; T441-V444 PolarHBondContact O-N 3.07Å; T441-V445 VanDerWaalsContact O-CG2 3.31Å; T441-V445 WeakPolarHBondContact O-CG2 3.5Å; T441-V445 PolarHBondContact O-N 2.99Å; T441-V445 VanDerWaalsContact O-N 3.15Å; T441-I512 WeakPolarHBondContact OG1-CA 3.41Å; T441-H515 HydrophobicContact CG2-CB 3.8Å; T441-S516 PolarHBondContact O-OG 3.17Å
442V90.7Very high88.9Confident0 Ų032.2 Ų32.20%017%0.174CC..Hα-helixtrans-61.2-48.7179.8-179.70000110.4F438 Q439 V444 V445 A446 V470 F559 T563F438-V442 HydrophobicContact CD2-CG2 4.48Å; F438-V442 HydrophobicContact CE1-CG2 4.37Å; F438-V442 HydrophobicContact CE2-CG2 4.06Å; F438-V442 HydrophobicContact CZ-CG2 4.01Å; F438-V442 PolarHBondContact O-N 3.44Å; Q439-V442 PolarHBondContact O-N 2.67Å; V442-V444 PolarHBondContact O-N 3.15Å; V442-V445 PolarHBondContact O-N 3.35Å; V442-A446 VanDerWaalsContact O-CB 3.22Å; V442-A446 WeakPolarHBondContact O-CB 3.25Å; V442-A446 PolarHBondContact O-N 3.02Å; V442-V470 HydrophobicContact CG1-CG1 3.84Å; V442-F559 HydrophobicContact CG1-CZ 4.18Å; V442-T563 HydrophobicContact CG1-CG2 4.19Å; V442-T563 HydrophobicContact CG2-CG2 3.76Å
443N89.4Confident88.8Confident38 Ų3829.6 Ų29.620%0.20316%0.161CC..Hα-helixtrans-62.5-42.8-179.4-77.3-20.2000113Q439 V445 A446 V447Q439-N443 VanDerWaalsContact O-CB 3.32Å; Q439-N443 WeakPolarHBondContact O-CB 3.23Å; Q439-N443 PolarHBondContact O-N 3.03Å; Q439-N443 PolarHBondContact O-ND2 2.98Å; N443-V445 VanDerWaalsContact C-N 3.35Å; N443-V445 PolarHBondContact O-N 3.42Å; N443-A446 PolarHBondContact O-N 2.79Å; N443-V447 WeakPolarHBondContact O-CB 3.25Å; N443-V447 VanDerWaalsContact O-CG2 3.26Å; N443-V447 WeakPolarHBondContact O-CG2 3.34Å; N443-V447 PolarHBondContact O-N 3.14Å
444V91.4Very high88.7Confident66 Ų6632 Ų3240%0.418%0.181SC..Hα-helixtrans-61.4-45.8177.51670000110.5L440 T441 V442 V448L440-V444 WeakPolarHBondContact O-CB 3.38Å; L440-V444 WeakPolarHBondContact O-CG2 3.45Å; L440-V444 PolarHBondContact O-N 2.85Å; T441-V444 PolarHBondContact O-N 3.07Å; V442-V444 PolarHBondContact O-N 3.15Å; V444-V448 WeakPolarHBondContact O-CB 3.4Å; V444-V448 VanDerWaalsContact O-CG2 3.23Å; V444-V448 WeakPolarHBondContact O-CG2 3.33Å; V444-V448 PolarHBondContact O-N 3.03Å; V444-V448 VanDerWaalsContact O-N 3.09Å
445V92.3Very high88.5Confident0 Ų035.6 Ų35.60%021%0.207CC..Hα-helixtrans-66.8-46.8179.7178.40000110.6T441 V442 N443 V447 V448 V449 Q519 L520 F559T441-V445 VanDerWaalsContact O-CG2 3.31Å; T441-V445 WeakPolarHBondContact O-CG2 3.5Å; T441-V445 PolarHBondContact O-N 2.99Å; T441-V445 VanDerWaalsContact O-N 3.15Å; V442-V445 PolarHBondContact O-N 3.35Å; N443-V445 VanDerWaalsContact C-N 3.35Å; N443-V445 PolarHBondContact O-N 3.42Å; V445-V447 PolarHBondContact O-N 3.43Å; V445-V448 PolarHBondContact O-N 2.81Å; V445-V449 HydrophobicContact CG1-CG2 3.98Å; V445-V449 VanDerWaalsContact O-CB 3.29Å; V445-V449 WeakPolarHBondContact O-CB 3.06Å; V445-V449 WeakPolarHBondContact O-CG2 3.16Å; V445-V449 PolarHBondContact O-N 3.23Å; V445-Q519 HydrophobicContact CG1-CB 4.05Å; V445-Q519 HydrophobicContact CG2-CB 3.93Å; V445-L520 HydrophobicContact CG1-CD2 4.03Å; V445-L520 HydrophobicContact CG1-CG 4.33Å; V445-L520 HydrophobicContact CG2-CG 4.29Å; V445-F559 HydrophobicContact CB-CE2 4.14Å; V445-F559 HydrophobicContact CG1-CD2 4.23Å; V445-F559 HydrophobicContact CG1-CE2 3.6Å
446A88.9Confident88.3Confident4 Ų435.9 Ų35.93%0.03322%0.218CC..Hα-helixtrans-53.9-49.817700000112.5V442 N443 A450 M467 F559V442-A446 VanDerWaalsContact O-CB 3.22Å; V442-A446 WeakPolarHBondContact O-CB 3.25Å; V442-A446 PolarHBondContact O-N 3.02Å; N443-A446 PolarHBondContact O-N 2.79Å; A446-A450 VanDerWaalsContact O-CB 3.23Å; A446-A450 WeakPolarHBondContact O-CB 3.4Å; A446-A450 PolarHBondContact O-N 2.81Å; A446-M467 HydrophobicContact CB-CE 3.54Å; A446-F559 HydrophobicContact CB-CZ 4.49Å
447V89.4Confident87.8Confident72 Ų7235 Ų3544%0.43621%0.213SC..Hα-helixtrans-65.8-45.2-179.2170.60000111.4N443 V445 A450 F451N443-V447 WeakPolarHBondContact O-CB 3.25Å; N443-V447 VanDerWaalsContact O-CG2 3.26Å; N443-V447 WeakPolarHBondContact O-CG2 3.34Å; N443-V447 PolarHBondContact O-N 3.14Å; V445-V447 PolarHBondContact O-N 3.43Å; V447-A450 PolarHBondContact O-N 3.46Å; V447-F451 VanDerWaalsContact O-CB 3.29Å; V447-F451 WeakPolarHBondContact O-CB 3.09Å; V447-F451 PolarHBondContact O-N 3.34Å
448V91.4Very high87.1Confident45 Ų4544.1 Ų44.127%0.27326%0.256SS..Hα-helixtrans-67.3-40.8-179.2173.90000111.2V444 V445 I452 L520 F524V444-V448 WeakPolarHBondContact O-CB 3.4Å; V444-V448 VanDerWaalsContact O-CG2 3.23Å; V444-V448 WeakPolarHBondContact O-CG2 3.33Å; V444-V448 PolarHBondContact O-N 3.03Å; V444-V448 VanDerWaalsContact O-N 3.09Å; V445-V448 PolarHBondContact O-N 2.81Å; V448-I452 HydrophobicContact CG1-CD1 3.64Å; V448-I452 HydrophobicContact CG1-CG1 4.29Å; V448-I452 WeakPolarHBondContact O-CB 3.14Å; V448-I452 WeakPolarHBondContact O-CG1 3.46Å; V448-I452 PolarHBondContact O-N 2.86Å; V448-L520 HydrophobicContact CB-CD1 4.35Å; V448-L520 HydrophobicContact CB-CD2 3.82Å; V448-L520 HydrophobicContact CG1-CD1 4Å; V448-L520 HydrophobicContact CG1-CD2 3.57Å; V448-L520 HydrophobicContact CG1-CG 4.46Å; V448-F524 HydrophobicContact CG1-CE2 4.37Å; V448-F524 HydrophobicContact CG1-CZ 4.28Å
449V88.8Confident86.2Confident1 Ų148.6 Ų48.61%0.00628%0.279CS..Hα-helixtrans-65.4-45.1176169.70000111.1V445 F451 G453 P461 L462 L520 I523 F524V445-V449 HydrophobicContact CG1-CG2 3.98Å; V445-V449 VanDerWaalsContact O-CB 3.29Å; V445-V449 WeakPolarHBondContact O-CB 3.06Å; V445-V449 WeakPolarHBondContact O-CG2 3.16Å; V445-V449 PolarHBondContact O-N 3.23Å; V449-F451 PolarHBondContact O-N 3.31Å; V449-G453 VanDerWaalsContact O-CA 3.28Å; V449-G453 WeakPolarHBondContact O-CA 3.38Å; V449-G453 PolarHBondContact O-N 3.27Å; V449-P461 HydrophobicContact CG1-CG 3.59Å; V449-L462 HydrophobicContact CG1-CD1 4.19Å; V449-L520 HydrophobicContact CG2-CD2 3.72Å; V449-I523 HydrophobicContact CG1-CG2 3.97Å; V449-I523 HydrophobicContact CG2-CB 4.31Å; V449-I523 HydrophobicContact CG2-CG2 3.72Å; V449-F524 HydrophobicContact CG2-CZ 4.4Å
450A86.2Confident85.8Confident38 Ų3849.1 Ų49.131%0.31429%0.285SS..Hα-helixtrans-62.7-43.1177.800000111.5A446 V447 A454A446-A450 VanDerWaalsContact O-CB 3.23Å; A446-A450 WeakPolarHBondContact O-CB 3.4Å; A446-A450 PolarHBondContact O-N 2.81Å; V447-A450 PolarHBondContact O-N 3.46Å; A450-A454 VanDerWaalsContact O-CB 3.23Å; A450-A454 WeakPolarHBondContact O-CB 3.12Å; A450-A454 PolarHBondContact O-N 3.33Å
451F87.5Confident85.3Confident117 Ų11746.8 Ų46.851%0.51327%0.274SS..Hα-helixtrans-68.4-54.6179.6-179.1-100.1000112.6V447 V449 G453 A454 C455V447-F451 VanDerWaalsContact O-CB 3.29Å; V447-F451 WeakPolarHBondContact O-CB 3.09Å; V447-F451 PolarHBondContact O-N 3.34Å; V449-F451 PolarHBondContact O-N 3.31Å; F451-G453 VanDerWaalsContact C-N 3.3Å; F451-G453 PolarHBondContact O-N 3.29Å; F451-A454 PolarHBondContact O-N 3.1Å; F451-C455 PolarHBondContact O-N 3.4Å; F451-C455 PolarHBondContact O-SG 2.86Å; F451-C455 VanDerWaalsContact O-SG 3.37Å
452I87.8Confident84.9Confident64 Ų6447 Ų4733%0.32827%0.274SS..Hα-helixtrans-66.5-37.3-179.5-65.7179.6000110.5V448 C455 A456 F524V448-I452 HydrophobicContact CG1-CD1 3.64Å; V448-I452 HydrophobicContact CG1-CG1 4.29Å; V448-I452 WeakPolarHBondContact O-CB 3.14Å; V448-I452 WeakPolarHBondContact O-CG1 3.46Å; V448-I452 PolarHBondContact O-N 2.86Å; I452-C455 PolarHBondContact O-N 2.99Å; I452-A456 WeakPolarHBondContact O-CB 3.45Å; I452-A456 PolarHBondContact O-N 3.34Å; I452-F524 HydrophobicContact CB-CE1 3.75Å; I452-F524 HydrophobicContact CB-CZ 3.62Å; I452-F524 HydrophobicContact CD1-CE1 4.47Å; I452-F524 HydrophobicContact CD1-CE2 3.93Å; I452-F524 HydrophobicContact CD1-CZ 3.59Å; I452-F524 HydrophobicContact CG1-CZ 4.1Å; I452-F524 HydrophobicContact CG2-CD1 4.29Å; I452-F524 HydrophobicContact CG2-CE1 3.46Å; I452-F524 VanDerWaalsContact CG2-CE1 3.46Å; I452-F524 HydrophobicContact CG2-CZ 3.67Å
453G82.9Confident84.5Confident2 Ų250.7 Ų50.72%0.02129%0.291CS..Hα-helixtrans-57.5-51.2173.500000112.1V449 F451 C455 A456 I457 D459V449-G453 VanDerWaalsContact O-CA 3.28Å; V449-G453 WeakPolarHBondContact O-CA 3.38Å; V449-G453 PolarHBondContact O-N 3.27Å; F451-G453 VanDerWaalsContact C-N 3.3Å; F451-G453 PolarHBondContact O-N 3.29Å; G453-C455 VanDerWaalsContact C-N 3.34Å; G453-C455 PolarHBondContact O-N 3.12Å; G453-A456 PolarHBondContact O-N 3Å; G453-I457 PolarHBondContact O-N 3.46Å; G453-D459 CarbonylContact C-O 3.44Å
454A83.1Confident84.3Confident52 Ų5252.9 Ų52.943%0.4331%0.314SS..Hα-helixtrans-61.3-39.3176.400000112.7A450 F451 E458A450-A454 VanDerWaalsContact O-CB 3.23Å; A450-A454 WeakPolarHBondContact O-CB 3.12Å; A450-A454 PolarHBondContact O-N 3.33Å; F451-A454 PolarHBondContact O-N 3.1Å; A454-E458 WeakPolarHBondContact O-CA 3.26Å; A454-E458 PolarHBondContact O-N 2.99Å
455C85.5Confident84.1Confident92 Ų9253.1 Ų53.162%0.62232%0.316SS*.Hα-helixtrans-70.1-31.8176.5-68.60000113.6F451 I452 G453F451-C455 PolarHBondContact O-N 3.4Å; F451-C455 PolarHBondContact O-SG 2.86Å; F451-C455 VanDerWaalsContact O-SG 3.37Å; I452-C455 PolarHBondContact O-N 2.99Å; G453-C455 VanDerWaalsContact C-N 3.34Å; G453-C455 PolarHBondContact O-N 3.12Å
456A83Confident83.9Confident51 Ų5153.3 Ų53.342%0.42132%0.316SS..Hα-helixtrans-95.8-29.5-17200000114.2I452 G453 F528I452-A456 WeakPolarHBondContact O-CB 3.45Å; I452-A456 PolarHBondContact O-N 3.34Å; G453-A456 PolarHBondContact O-N 3Å; A456-F528 HydrophobicContact CB-CE1 3.97Å; A456-F528 HydrophobicContact CB-CZ 3.71Å
457I74.8Confident83.7Confident16 Ų1654.5 Ų54.58%0.08232%0.322CS..Hα-helixtrans-118.9-5.2-170.9-55.3173.7000111.7G453 D459 V527 R540G453-I457 PolarHBondContact O-N 3.46Å; I457-D459 PolarHBondContact O-N 3.4Å; I457-V527 HydrophobicContact CD1-CG1 3.35Å; I457-R540 HydrophobicContact CD1-CG 4.15Å; I457-R540 HydrophobicContact CG2-CB 4.12Å; I457-R540 HydrophobicContact CG2-CG 4.43Å; I457-R540 WeakPolarHBondContact CG2-O 3.31Å
458E74.4Confident83.6Confident195 Ų19555.6 Ų55.691%0.91133%0.325SS*.SBendtrans60.3-6.2-169.3-55.7-179.3175.100114.4A454A454-E458 WeakPolarHBondContact O-CA 3.26Å; A454-E458 PolarHBondContact O-N 2.99Å
459D72.7Confident83.5Confident94 Ų9454.7 Ų54.750%0.50332%0.316SS..SBendtrans-129.7157.1172-163.14.4000110.1G453 I457G453-D459 CarbonylContact C-O 3.44Å; I457-D459 PolarHBondContact O-N 3.4Å
460S80.4Confident83.5Confident33 Ų3354.7 Ų54.723%0.23132%0.316CS..  trans-78.6130.7176.7176.80000110.4L462S460-L462 WeakPolarHBondContact CB-O 3.18Å; S460-L462 PolarHBondContact O-N 3.19Å; S460-L462 VanDerWaalsContact O-N 3.11Å; S460-L462 PolarHBondContact OG-N 2.95Å; S460-L462 PolarHBondContact OG-O 3.21Å
461P78.9Confident83.3Confident2 Ų256 Ų561%0.01332%0.318CS..SBendtrans-64-18176.627.7-36.2000112.8V449 V527 F552V449-P461 HydrophobicContact CG1-CG 3.59Å; P461-V527 HydrophobicContact CB-CG2 3.85Å; P461-V527 HydrophobicContact CG-CG2 4.47Å; P461-F552 HydrophobicContact CB-CD1 4.26Å; P461-F552 HydrophobicContact CB-CE1 3.99Å
462L82.9Confident83Confident4 Ų455.3 Ų55.32%0.02132%0.319CS..SBendtrans-116.4121.7173.9-62.3173.5000108.9V449 S460 M467 V555 F556 F559V449-L462 HydrophobicContact CG1-CD1 4.19Å; S460-L462 WeakPolarHBondContact CB-O 3.18Å; S460-L462 PolarHBondContact O-N 3.19Å; S460-L462 VanDerWaalsContact O-N 3.11Å; S460-L462 PolarHBondContact OG-N 2.95Å; S460-L462 PolarHBondContact OG-O 3.21Å; L462-M467 HydrophobicContact CB-CG 3.88Å; L462-M467 HydrophobicContact CB-SD 3.68Å; L462-M467 HydrophobicContact CD1-SD 3.46Å; L462-M467 WeakPolarHBondContact CD1-SD 3.33Å; L462-M467 HydrophobicContact CG-SD 4.2Å; L462-V555 HydrophobicContact CD2-CG1 4.38Å; L462-F556 HydrophobicContact CD2-CB 4.02Å; L462-F556 HydrophobicContact CD2-CD2 4.26Å; L462-F559 HydrophobicContact CD1-CD1 4.06Å; L462-F559 HydrophobicContact CD1-CE1 4.23Å
463K82.7Confident82.9Confident79 Ų7955 Ų5534%0.34332%0.317SS..  trans-68155.3179.2-67.1-172.3-177.9-159.70110.9V465 Q466 M467 S612K463-V465 VanDerWaalsContact C-N 3.26Å; K463-V465 PolarHBondContact O-N 3.09Å; K463-Q466 HydrophobicContact CB-CG 4.33Å; K463-Q466 WeakPolarHBondContact O-CB 3.26Å; K463-Q466 PolarHBondContact O-N 2.55Å; K463-M467 PolarHBondContact O-N 3.27Å; K463-S612 PolarHBondContact NZ-OG 2.7Å; K463-S612 VanDerWaalsContact NZ-OG 3.14Å
464A85.1Confident83.1Confident84 Ų8455.1 Ų55.169%0.69432%0.317SS*.Hα-helixtrans-53.2-40.6179.200000113.4M467 L468A464-M467 PolarHBondContact O-N 2.82Å; A464-L468 WeakPolarHBondContact O-CB 3.49Å; A464-L468 PolarHBondContact O-N 3.13Å
465V86.8Confident83.2Confident71 Ų7152.8 Ų52.843%0.4330%0.298SS..Hα-helixtrans-66.9-36.8178.1-176.70000112.2K463 L468 W469 F611K463-V465 VanDerWaalsContact C-N 3.26Å; K463-V465 PolarHBondContact O-N 3.09Å; V465-L468 PolarHBondContact O-N 2.92Å; V465-W469 PolarHBondContact O-N 2.89Å; V465-F611 HydrophobicContact CG1-CD1 3.77Å; V465-F611 HydrophobicContact CG1-CE1 3.93Å; V465-F611 HydrophobicContact CG1-CG 4.5Å
466Q88.2Confident83.3Confident4 Ų452.3 Ų52.32%0.01929%0.292CS..Hα-helixtrans-68.5-41.1176.3-69.1170-7.300111.2K463 L468 W469 V470 F556 F611K463-Q466 HydrophobicContact CB-CG 4.33Å; K463-Q466 WeakPolarHBondContact O-CB 3.26Å; K463-Q466 PolarHBondContact O-N 2.55Å; Q466-L468 VanDerWaalsContact C-N 3.32Å; Q466-W469 WeakPolarHBondContact O-CB 3.13Å; Q466-W469 PolarHBondContact O-N 3.12Å; Q466-V470 WeakPolarHBondContact O-CG2 3.31Å; Q466-V470 PolarHBondContact O-N 3.32Å; Q466-V470 VanDerWaalsContact O-N 3.11Å; Q466-F556 HydrophobicContact CB-CD2 3.6Å; Q466-F556 HydrophobicContact CB-CE2 3.57Å; Q466-F556 HydrophobicContact CB-CG 4.29Å; Q466-F556 HydrophobicContact CB-CZ 4.24Å; Q466-F556 HydrophobicContact CG-CD1 4.28Å; Q466-F556 HydrophobicContact CG-CD2 3.81Å; Q466-F556 HydrophobicContact CG-CE1 4.35Å; Q466-F556 HydrophobicContact CG-CE2 3.89Å; Q466-F556 HydrophobicContact CG-CG 4Å; Q466-F556 HydrophobicContact CG-CZ 4.16Å; Q466-F611 PolarHBondContact NE2-O 3.09Å
467M85.5Confident83.6Confident29 Ų2954.5 Ų54.514%0.14329%0.292CS..Hα-helixtrans-64.5-37.9173.6-72.5-54.7-61.300112.1A446 L462 K463 A464 V470 N471A446-M467 HydrophobicContact CB-CE 3.54Å; L462-M467 HydrophobicContact CB-CG 3.88Å; L462-M467 HydrophobicContact CB-SD 3.68Å; L462-M467 HydrophobicContact CD1-SD 3.46Å; L462-M467 WeakPolarHBondContact CD1-SD 3.33Å; L462-M467 HydrophobicContact CG-SD 4.2Å; K463-M467 PolarHBondContact O-N 3.27Å; A464-M467 PolarHBondContact O-N 2.82Å; M467-V470 PolarHBondContact O-N 3.32Å; M467-N471 WeakPolarHBondContact O-CB 3.42Å; M467-N471 PolarHBondContact O-N 2.94Å
468L87.6Confident84.2Confident95 Ų9553.8 Ų53.850%0.49729%0.289SS..Hα-helixtrans-64-40.4174-171.6146.5000111.3A464 V465 Q466 V470 L472A464-L468 WeakPolarHBondContact O-CB 3.49Å; A464-L468 PolarHBondContact O-N 3.13Å; V465-L468 PolarHBondContact O-N 2.92Å; Q466-L468 VanDerWaalsContact C-N 3.32Å; L468-V470 PolarHBondContact O-N 2.83Å; L468-L472 HydrophobicContact CD2-CD2 4.06Å; L468-L472 HydrophobicContact CG-CB 4.38Å; L468-L472 HydrophobicContact CG-CD2 4.17Å; L468-L472 WeakPolarHBondContact O-CB 3.26Å; L468-L472 PolarHBondContact O-N 2.92Å
469W89.8Confident84.6Confident26 Ų2645.5 Ų45.510%0.09825%0.253CS..Iπ-helixtrans-58.1-47173.2173.6-110.5000112.9V465 Q466 I473 M474 F556 A599 I603 F611V465-W469 PolarHBondContact O-N 2.89Å; Q466-W469 WeakPolarHBondContact O-CB 3.13Å; Q466-W469 PolarHBondContact O-N 3.12Å; W469-I473 HydrophobicContact CE3-CB 3.87Å; W469-I473 HydrophobicContact CE3-CD1 3.61Å; W469-I473 HydrophobicContact CE3-CG1 4.31Å; W469-I473 HydrophobicContact CE3-CG2 3.9Å; W469-I473 HydrophobicContact CH2-CG2 3.98Å; W469-I473 HydrophobicContact CZ3-CB 4Å; W469-I473 HydrophobicContact CZ3-CD1 3.89Å; W469-I473 HydrophobicContact CZ3-CG2 3.47Å; W469-I473 VanDerWaalsContact CZ3-CG2 3.47Å; W469-I473 WeakPolarHBondContact O-CB 3.39Å; W469-I473 PolarHBondContact O-N 3.25Å; W469-M474 PolarHBondContact O-N 3.47Å; W469-F556 AromaticContact CD1-CZ 3.66Å; W469-F556 HydrophobicContact CG-CZ 4.44Å; W469-A599 HydrophobicContact CH2-CB 3.94Å; W469-A599 HydrophobicContact CZ2-CB 4.07Å; W469-I603 HydrophobicContact CD2-CD1 3.69Å; W469-I603 VanDerWaalsContact CE2-CD1 3.41Å; W469-I603 HydrophobicContact CE3-CD1 3.84Å; W469-I603 HydrophobicContact CG-CD1 4.46Å; W469-I603 HydrophobicContact CH2-CD1 3.61Å; W469-I603 HydrophobicContact CZ2-CD1 3.39Å; W469-I603 HydrophobicContact CZ3-CD1 3.8Å; W469-F611 HydrophobicContact CB-CE1 3.94Å; W469-F611 HydrophobicContact CE3-CE1 4.47Å; W469-F611 HydrophobicContact CE3-CZ 4.34Å; W469-F611 HydrophobicContact CG-CE1 4.31Å
470V87.6Confident85.3Confident1 Ų145.3 Ų45.31%0.00625%0.252CS..Iπ-helixtrans-68.6-57.8-179178.20000111V442 Q466 M467 L468 L472 M474 D475 F556 F559 V560V442-V470 HydrophobicContact CG1-CG1 3.84Å; Q466-V470 WeakPolarHBondContact O-CG2 3.31Å; Q466-V470 PolarHBondContact O-N 3.32Å; Q466-V470 VanDerWaalsContact O-N 3.11Å; M467-V470 PolarHBondContact O-N 3.32Å; L468-V470 PolarHBondContact O-N 2.83Å; V470-L472 PolarHBondContact O-N 3.06Å; V470-M474 HydrophobicContact CG2-CE 4.29Å; V470-D475 WeakPolarHBondContact O-CB 3.47Å; V470-D475 VanDerWaalsContact O-CG 3.28Å; V470-D475 PolarHBondContact O-N 3.21Å; V470-F556 HydrophobicContact CG2-CE2 4.18Å; V470-F559 HydrophobicContact CB-CE1 4.31Å; V470-F559 HydrophobicContact CG1-CE1 3.77Å; V470-F559 HydrophobicContact CG1-CZ 4.43Å; V470-F559 HydrophobicContact CG2-CD1 4.12Å; V470-F559 HydrophobicContact CG2-CE1 4.01Å; V470-V560 HydrophobicContact CG2-CG2 3.97Å
471N81.8Confident85.6Confident64 Ų6443.7 Ų43.734%0.34224%0.241SC..Iπ-helixtrans-74.8-30.2-169.5-66.7-1.8000113.8M467M467-N471 WeakPolarHBondContact O-CB 3.42Å; M467-N471 PolarHBondContact O-N 2.94Å
472L82.3Confident86Confident104 Ų10443.6 Ų43.655%0.54524%0.24SC..Iπ-helixtrans-100.7-37.1-175.5-174.266000113.1L468 V470 T476L468-L472 HydrophobicContact CD2-CD2 4.06Å; L468-L472 HydrophobicContact CG-CB 4.38Å; L468-L472 HydrophobicContact CG-CD2 4.17Å; L468-L472 WeakPolarHBondContact O-CB 3.26Å; L468-L472 PolarHBondContact O-N 2.92Å; V470-L472 PolarHBondContact O-N 3.06Å; L472-T476 WeakPolarHBondContact O-CB 3.38Å; L472-T476 PolarHBondContact O-OG1 2.91Å
473I84.7Confident86Confident57 Ų5746.1 Ų46.129%0.29226%0.261SS..Iπ-helixtrans-101-59.9-171.8-62.8170.1000110.1W469 T476 F477W469-I473 HydrophobicContact CE3-CB 3.87Å; W469-I473 HydrophobicContact CE3-CD1 3.61Å; W469-I473 HydrophobicContact CE3-CG1 4.31Å; W469-I473 HydrophobicContact CE3-CG2 3.9Å; W469-I473 HydrophobicContact CH2-CG2 3.98Å; W469-I473 HydrophobicContact CZ3-CB 4Å; W469-I473 HydrophobicContact CZ3-CD1 3.89Å; W469-I473 HydrophobicContact CZ3-CG2 3.47Å; W469-I473 VanDerWaalsContact CZ3-CG2 3.47Å; W469-I473 WeakPolarHBondContact O-CB 3.39Å; W469-I473 PolarHBondContact O-N 3.25Å; I473-T476 PolarHBondContact O-N 3.46Å; I473-F477 HydrophobicContact CG2-CD2 3.78Å; I473-F477 HydrophobicContact CG2-CE2 3.66Å; I473-F477 WeakPolarHBondContact O-CD2 3.46Å; I473-F477 PolarHBondContact O-N 2.91Å
474M87.6Confident86.1Confident4 Ų444.4 Ų44.42%0.0226%0.258CS..Iπ-helixtrans-62.6-48.1-177.5-177.1-173.3-49.300112W469 V470 T476 F477 A478 V560 T563W469-M474 PolarHBondContact O-N 3.47Å; V470-M474 HydrophobicContact CG2-CE 4.29Å; M474-T476 VanDerWaalsContact C-N 3.31Å; M474-T476 PolarHBondContact O-N 3.21Å; M474-F477 PolarHBondContact O-N 3Å; M474-A478 WeakPolarHBondContact O-CB 3.15Å; M474-A478 PolarHBondContact O-N 3.02Å; M474-V560 HydrophobicContact CE-CB 3.96Å; M474-V560 HydrophobicContact CE-CG1 3.27Å; M474-V560 HydrophobicContact CE-CG2 3.67Å; M474-V560 HydrophobicContact SD-CG1 4.04Å; M474-T563 PolarHBondContact SD-OG1 3.02Å; M474-T563 VanDerWaalsContact SD-OG1 3.36Å
475D86.2Confident86Confident3 Ų341.7 Ų41.72%0.01623%0.23CC..Hα-helixtrans-62.4-37.6179.8-77.9-2.9000112.3V470 A479V470-D475 WeakPolarHBondContact O-CB 3.47Å; V470-D475 VanDerWaalsContact O-CG 3.28Å; V470-D475 PolarHBondContact O-N 3.21Å; D475-A479 VanDerWaalsContact O-CB 3.25Å; D475-A479 WeakPolarHBondContact O-CB 3.27Å; D475-A479 PolarHBondContact O-N 3.11Å
476T86.1Confident85.9Confident82 Ų8243.8 Ų43.850%0.50324%0.237SC..Hα-helixtrans-66.8-42.2176.1-64.40000111.9L472 I473 M474 A479 L480L472-T476 WeakPolarHBondContact O-CB 3.38Å; L472-T476 PolarHBondContact O-OG1 2.91Å; I473-T476 PolarHBondContact O-N 3.46Å; M474-T476 VanDerWaalsContact C-N 3.31Å; M474-T476 PolarHBondContact O-N 3.21Å; T476-A479 WeakPolarHBondContact O-CB 3.21Å; T476-A479 PolarHBondContact O-N 3.31Å; T476-L480 PolarHBondContact O-N 3.26Å
477F89.4Confident85.9Confident98 Ų9844.6 Ų44.643%0.4324%0.243SC..Hα-helixtrans-67.9-42.3175.8-77.1-60.3000112I473 M474 A479 L480 A481 I592 T596I473-F477 HydrophobicContact CG2-CD2 3.78Å; I473-F477 HydrophobicContact CG2-CE2 3.66Å; I473-F477 WeakPolarHBondContact O-CD2 3.46Å; I473-F477 PolarHBondContact O-N 2.91Å; M474-F477 PolarHBondContact O-N 3Å; F477-A479 VanDerWaalsContact C-N 3.31Å; F477-A479 PolarHBondContact O-N 2.88Å; F477-L480 WeakPolarHBondContact O-CB 3.49Å; F477-L480 PolarHBondContact O-N 2.88Å; F477-A481 WeakPolarHBondContact O-CB 3.48Å; F477-A481 PolarHBondContact O-N 3.3Å; F477-I592 HydrophobicContact CB-CG2 3.8Å; F477-T596 HydrophobicContact CB-CG2 4.47Å
478A86.9Confident85.9Confident1 Ų145 Ų451%0.00825%0.247CC..Hα-helixtrans-61.7-39174.400000111.7F438 M474 L480 A481 L482 E567F438-A478 HydrophobicContact CD1-CB 4.11Å; F438-A478 HydrophobicContact CE1-CB 3.38Å; F438-A478 HydrophobicContact CZ-CB 3.63Å; M474-A478 WeakPolarHBondContact O-CB 3.15Å; M474-A478 PolarHBondContact O-N 3.02Å; A478-L480 PolarHBondContact O-N 3.46Å; A478-A481 PolarHBondContact O-N 3.42Å; A478-L482 WeakPolarHBondContact O-CB 3.35Å; A478-L482 WeakPolarHBondContact O-CG 3.41Å; A478-L482 PolarHBondContact O-N 2.96Å; A478-E567 HydrophobicContact CB-CG 4.23Å
479A83.9Confident85.8Confident20 Ų2046.1 Ų46.117%0.16525%0.25CC..Hα-helixtrans-58.4-47.6173.100000111.5F435 D475 T476 F477 A481 L482 A483F435-A479 HydrophobicContact CD2-CB 3.46Å; F435-A479 VanDerWaalsContact CD2-CB 3.46Å; F435-A479 HydrophobicContact CE2-CB 3.29Å; F435-A479 HydrophobicContact CG-CB 4.39Å; F435-A479 HydrophobicContact CZ-CB 4.08Å; D475-A479 VanDerWaalsContact O-CB 3.25Å; D475-A479 WeakPolarHBondContact O-CB 3.27Å; D475-A479 PolarHBondContact O-N 3.11Å; T476-A479 WeakPolarHBondContact O-CB 3.21Å; T476-A479 PolarHBondContact O-N 3.31Å; F477-A479 VanDerWaalsContact C-N 3.31Å; F477-A479 PolarHBondContact O-N 2.88Å; A479-A481 VanDerWaalsContact C-N 3.34Å; A479-A481 PolarHBondContact O-N 2.87Å; A479-L482 PolarHBondContact O-N 2.82Å; A479-A483 WeakPolarHBondContact O-CB 3.29Å; A479-A483 PolarHBondContact O-N 2.9Å
480L87.1Confident85.5Confident90 Ų9049.6 Ų49.647%0.47127%0.267SS..Hα-helixtrans-63-40.3176.9-177.365000111.9T476 F477 A478 A483 T484 I592T476-L480 PolarHBondContact O-N 3.26Å; F477-L480 WeakPolarHBondContact O-CB 3.49Å; F477-L480 PolarHBondContact O-N 2.88Å; A478-L480 PolarHBondContact O-N 3.46Å; L480-A483 PolarHBondContact O-N 3.31Å; L480-T484 HydrophobicContact CD1-CG2 4Å; L480-T484 HydrophobicContact CG-CG2 4.43Å; L480-T484 WeakPolarHBondContact O-CB 3.42Å; L480-T484 WeakPolarHBondContact O-CG2 3.35Å; L480-T484 PolarHBondContact O-N 3.04Å; L480-T484 VanDerWaalsContact O-N 3.16Å; L480-T484 PolarHBondContact O-OG1 3.32Å; L480-I592 HydrophobicContact CB-CD1 4.36Å; L480-I592 HydrophobicContact CD2-CD1 4.23Å; L480-I592 HydrophobicContact CG-CD1 4.27Å
481A87.3Confident85.4Confident0 Ų050.1 Ų50.10%027%0.27CS..Hα-helixtrans-62.6-48.1178.300000111.5F477 A478 A479 A483 T484 Y589 I592F477-A481 WeakPolarHBondContact O-CB 3.48Å; F477-A481 PolarHBondContact O-N 3.3Å; A478-A481 PolarHBondContact O-N 3.42Å; A479-A481 VanDerWaalsContact C-N 3.34Å; A479-A481 PolarHBondContact O-N 2.87Å; A481-A483 VanDerWaalsContact C-N 3.35Å; A481-T484 PolarHBondContact O-OG1 3.02Å; A481-Y589 HydrophobicContact CB-CD2 3.64Å; A481-Y589 HydrophobicContact CB-CE2 4.13Å; A481-Y589 HydrophobicContact CB-CG 4.49Å; A481-I592 HydrophobicContact CB-CB 4.05Å; A481-I592 HydrophobicContact CB-CD1 3.75Å; A481-I592 HydrophobicContact CB-CG2 3.9Å
482L86.7Confident85.7Confident0 Ų047.7 Ų47.70%026%0.257CS..Hα-helixtrans-70.3-29.9178.3-65.9172.5000112.7K434 F438 A478 A479 E567 R571 Y589K434-L482 HydrophobicContact CB-CD2 4.46Å; F438-L482 HydrophobicContact CB-CD1 3.83Å; F438-L482 HydrophobicContact CD1-CD1 4.35Å; F438-L482 HydrophobicContact CG-CD1 4.11Å; A478-L482 WeakPolarHBondContact O-CB 3.35Å; A478-L482 WeakPolarHBondContact O-CG 3.41Å; A478-L482 PolarHBondContact O-N 2.96Å; A479-L482 PolarHBondContact O-N 2.82Å; L482-E567 HydrophobicContact CD1-CG 4.33Å; L482-E567 HydrophobicContact CD2-CG 4.36Å; L482-E567 HydrophobicContact CG-CG 4.36Å; L482-R571 HydrophobicContact CD2-CG 3.7Å; L482-Y589 HydrophobicContact CD2-CE2 4.18Å
483A83.2Confident85.9Confident56 Ų5650.4 Ų50.446%0.46326%0.259SS..Hα-helixtrans-75-26.3179.400000114.3A479 L480 A481A479-A483 WeakPolarHBondContact O-CB 3.29Å; A479-A483 PolarHBondContact O-N 2.9Å; L480-A483 PolarHBondContact O-N 3.31Å; A481-A483 VanDerWaalsContact C-N 3.35Å
484T84.2Confident85.9Confident44 Ų4450.3 Ų50.327%0.2726%0.256SS..THydrogen-bonded Turntrans-91.66.5-171.553.10000114.4L480 A481 M486 N586L480-T484 HydrophobicContact CD1-CG2 4Å; L480-T484 HydrophobicContact CG-CG2 4.43Å; L480-T484 WeakPolarHBondContact O-CB 3.42Å; L480-T484 WeakPolarHBondContact O-CG2 3.35Å; L480-T484 PolarHBondContact O-N 3.04Å; L480-T484 VanDerWaalsContact O-N 3.16Å; L480-T484 PolarHBondContact O-OG1 3.32Å; A481-T484 PolarHBondContact O-OG1 3.02Å; T484-M486 PolarHBondContact O-N 3.43Å; T484-N586 PolarHBondContact O-ND2 2.88Å; T484-N586 PolarHBondContact OG1-ND2 3.43Å; T484-N586 VanDerWaalsContact OG1-ND2 3.14Å
485E82.4Confident85.8Confident26 Ų2658.1 Ų58.112%0.12129%0.289CS..PPolyproline II helixtrans-61.4135.5176.3-71.1-163.3154.900111.9N427 K434 R571N427-E485 PolarHBondContact ND2-O 3.34Å; K434-E485 IonicContact NZ-OE2 2.7Å; K434-E485 PolarHBondContact NZ-OE2 3Å; E485-R571 IonicContact OE1-CZ 3.47Å; E485-R571 VanDerWaalsContact OE1-CZ 3.28Å; E485-R571 IonicContact OE1-NE 3.25Å; E485-R571 PolarHBondContact OE1-NE 3.01Å; E485-R571 IonicContact OE1-NH2 2.69Å; E485-R571 PolarHBondContact OE1-NH2 3.17Å
486M85.9Confident85.7Confident116 Ų11658.9 Ų58.957%0.57130%0.295SS*.PPolyproline II helixtrans-74.9146.1179-69.2-170.4178.500112T484T484-M486 PolarHBondContact O-N 3.43Å
487P86.9Confident85.3Confident20 Ų2056.1 Ų56.113%0.1328%0.275CS..PPolyproline II helixtrans-63.2145.8177.727.7-35.8000112.2M423 W424 N427 L491M423-P487 HydrophobicContact CB-CB 4.32Å; W424-P487 HydrophobicContact CD2-CG 3.91Å; W424-P487 HydrophobicContact CE3-CG 4.25Å; W424-P487 HydrophobicContact CG-CG 4.39Å; W424-P487 HydrophobicContact CH2-CG 4.27Å; W424-P487 HydrophobicContact CZ2-CG 3.93Å; W424-P487 HydrophobicContact CZ3-CG 4.42Å; N427-P487 HydrophobicContact CB-CB 3.87Å; P487-L491 HydrophobicContact CB-CD1 4.4Å
488T85.7Confident84.5Confident38 Ų3851.7 Ų51.723%0.23326%0.257CS..  trans-118.9149.9176.768.70000111.3E490 L491T488-E490 PolarHBondContact O-N 3.44Å; T488-L491 WeakPolarHBondContact O-CB 3.49Å; T488-L491 WeakPolarHBondContact O-CG 3.47Å; T488-L491 PolarHBondContact O-N 3.38Å
489E85.2Confident83.8Confident119 Ų11956.4 Ų56.456%0.55628%0.275SS*.G310 helixtrans-66.2-18.4176.9-69.6-159.2145.200112.7K276 M423 L491 L492K276-E489 IonicContact NZ-OE1 3.78Å; K276-E489 PolarHBondContact NZ-OE1 2.79Å; K276-E489 VanDerWaalsContact NZ-OE1 3.11Å; M423-E489 HydrophobicContact CE-CG 3.95Å; M423-E489 HydrophobicContact SD-CG 4.43Å; E489-L491 PolarHBondContact O-N 3.38Å; E489-L492 WeakPolarHBondContact O-CB 3.33Å; E489-L492 PolarHBondContact O-N 2.94Å
490E85.1Confident83Confident99 Ų9958.2 Ų58.246%0.46328%0.284SS..G310 helixtrans-63-26.6175.9-58.1-163.8140.400112.5T488 L492 R493T488-E490 PolarHBondContact O-N 3.44Å; E490-L492 PolarHBondContact O-N 2.96Å; E490-L492 VanDerWaalsContact O-N 3.16Å; E490-R493 WeakPolarHBondContact O-CB 3.21Å; E490-R493 PolarHBondContact O-N 3.17Å; E490-R493 IonicContact OE1-NH1 2.69Å; E490-R493 PolarHBondContact OE1-NH1 2.95Å
491L85Confident82.2Confident12 Ų1258.9 Ų58.96%0.06328%0.283CS..G310 helixtrans-58.9-25.9173.2-60.5172.7000111.7R426 N427 D430 P487 T488 E489 R493 R494R426-L491 HydrophobicContact CB-CB 4.14Å; R426-L491 HydrophobicContact CB-CD1 4.35Å; R426-L491 WeakPolarHBondContact CD-O 3.49Å; R426-L491 PolarHBondContact NH1-O 3.34Å; N427-L491 HydrophobicContact CB-CD1 3.74Å; D430-L491 WeakPolarHBondContact OD2-CD2 3.22Å; P487-L491 HydrophobicContact CB-CD1 4.4Å; T488-L491 WeakPolarHBondContact O-CB 3.49Å; T488-L491 WeakPolarHBondContact O-CG 3.47Å; T488-L491 PolarHBondContact O-N 3.38Å; E489-L491 PolarHBondContact O-N 3.38Å; L491-R493 VanDerWaalsContact C-N 3.35Å; L491-R494 WeakPolarHBondContact O-CG 3.17Å
492L87.6Confident81.4Confident13 Ų1359.2 Ų59.27%0.06829%0.285CS..G310 helixtrans-81.3-8.2176.2-61.6179.1000113.6A280 V419 V422 M423 E489 E490A280-L492 WeakPolarHBondContact CA-O 3.5Å; A280-L492 HydrophobicContact CB-CB 4.24Å; A280-L492 HydrophobicContact CB-CD2 4.16Å; A280-L492 VanDerWaalsContact CB-O 3.25Å; A280-L492 WeakPolarHBondContact CB-O 3.48Å; A280-L492 PolarHBondContact N-O 2.9Å; V419-L492 HydrophobicContact CG1-CD1 3.76Å; V422-L492 HydrophobicContact CG1-CD2 3.93Å; M423-L492 HydrophobicContact CG-CD1 3.7Å; M423-L492 HydrophobicContact CG-CD2 3.68Å; M423-L492 HydrophobicContact CG-CG 3.62Å; M423-L492 HydrophobicContact SD-CD1 3.74Å; M423-L492 HydrophobicContact SD-CG 4.25Å; E489-L492 WeakPolarHBondContact O-CB 3.33Å; E489-L492 PolarHBondContact O-N 2.94Å; E490-L492 PolarHBondContact O-N 2.96Å; E490-L492 VanDerWaalsContact O-N 3.16Å
493R86.7Confident80.7Confident160 Ų16061.4 Ų61.460%0.60430%0.297SS*.G310 helixtrans-81.7-16.2178.9-64.7-179.4-179.7160.41.1113.4E490 L491E490-R493 WeakPolarHBondContact O-CB 3.21Å; E490-R493 PolarHBondContact O-N 3.17Å; E490-R493 IonicContact OE1-NH1 2.69Å; E490-R493 PolarHBondContact OE1-NH1 2.95Å; L491-R493 VanDerWaalsContact C-N 3.35Å
494R84.2Confident80.5Confident56 Ų5659 Ų5921%0.21128%0.277CS..SBendtrans-101.9160179.265.9177.9-170.9-146.8-7.2111.6R426 D430 L491 Y497 H574R426-R494 PolarHBondContact NH1-O 2.88Å; D430-R494 IonicContact OD1-CZ 3.12Å; D430-R494 IonicContact OD1-NH1 3.28Å; D430-R494 PolarHBondContact OD1-NH1 3.48Å; D430-R494 IonicContact OD1-NH2 2.94Å; D430-R494 PolarHBondContact OD1-NH2 2.69Å; D430-R494 IonicContact OD2-CZ 3.56Å; D430-R494 IonicContact OD2-NH1 3.88Å; D430-R494 PolarHBondContact OD2-NH1 2.77Å; D430-R494 IonicContact OD2-NH2 3.91Å; D430-R494 PolarHBondContact OD2-NH2 2.87Å; L491-R494 WeakPolarHBondContact O-CG 3.17Å; R494-Y497 PolarHBondContact NH1-OH 3.28Å; R494-H574 PolarHBondContact NH1-CD2 2.7Å; R494-H574 PolarHBondContact NH1-NE2 3.3Å
495K86Confident80.2Confident167 Ų16758.4 Ų58.473%0.72627%0.274SS*.PPolyproline II helixtrans-76.9155.9171.8-67.4-173.7178.8-174.60110.9
496P84.8Confident80.2Confident20 Ų2061.1 Ų61.113%0.1328%0.283CS..PPolyproline II helixtrans-62.4158.4174.426.2-34.4000112.3T21 G498T21-P496 HydrophobicContact CG2-CB 4.38Å; T21-P496 HydrophobicContact CG2-CG 3.51Å; P496-G498 VanDerWaalsContact C-N 3.34Å
497Y77Confident80.2Confident23 Ų2357.2 Ų57.29%0.0927%0.266CS..  trans-72.1-28.7-177.6-69-91.3000112.4N19 Y429 D430 R494 K501 H574N19-Y497 WeakPolarHBondContact OD1-CB 3.49Å; N19-Y497 PolarHBondContact OD1-N 2.51Å; Y429-Y497 AromaticContact CD1-CD2 3.67Å; Y429-Y497 HydrophobicContact CD1-CD2 3.67Å; Y429-Y497 AromaticContact CD1-CE2 3.38Å; Y429-Y497 HydrophobicContact CD1-CE2 3.38Å; Y429-Y497 HydrophobicContact CD1-CG 4.35Å; Y429-Y497 AromaticContact CD1-CZ 3.89Å; Y429-Y497 AromaticContact CE1-CD1 3.83Å; Y429-Y497 HydrophobicContact CE1-CD1 3.83Å; Y429-Y497 AromaticContact CE1-CD2 3.5Å; Y429-Y497 HydrophobicContact CE1-CD2 3.5Å; Y429-Y497 AromaticContact CE1-CE1 3.86Å; Y429-Y497 HydrophobicContact CE1-CE1 3.86Å; Y429-Y497 AromaticContact CE1-CE2 3.45Å; Y429-Y497 HydrophobicContact CE1-CE2 3.45Å; Y429-Y497 VanDerWaalsContact CE1-CE2 3.45Å; Y429-Y497 AromaticContact CE1-CG 3.71Å; Y429-Y497 HydrophobicContact CE1-CG 3.71Å; Y429-Y497 AromaticContact CE1-CZ 3.65Å; Y429-Y497 HydrophobicContact CG-CD2 4.36Å; Y429-Y497 HydrophobicContact CG-CE2 4.34Å; Y429-Y497 AromaticContact CZ-CG 3.97Å; D430-Y497 PolarHBondContact OD1-OH 3.06Å; R494-Y497 PolarHBondContact NH1-OH 3.28Å; Y497-K501 HydrophobicContact CD1-CD 3.87Å; Y497-K501 HydrophobicContact CG-CD 4.41Å; Y497-K501 WeakPolarHBondContact O-CB 3.39Å; Y497-K501 WeakPolarHBondContact O-CD 3.38Å; Y497-H574 PolarHBondContact OH-CE1 3.06Å; Y497-H574 PolarHBondContact OH-NE2 2.94Å
498G72.7Confident80.1Confident6 Ų656.5 Ų56.56%0.06226%0.261CS..  trans89.9166.9-175.500000112.4P496P496-G498 VanDerWaalsContact C-N 3.34Å
499R72.6Confident80.2Confident100 Ų10056.3 Ų56.338%0.37726%0.258SS..SBendtrans-71.2-35.7-174.6-61.9-173.787.1157.913.4113.6N368 R369 V371 D389N368-R499 PolarHBondContact O-N 3.28Å; R369-R499 HydrophobicContact CB-CB 4.32Å; R369-R499 HydrophobicContact CB-CG 4.14Å; V371-R499 HydrophobicContact CG2-CG 3.41Å; V371-R499 VanDerWaalsContact CG2-CG 3.41Å; D389-R499 IonicContact OD1-CZ 3.1Å; D389-R499 IonicContact OD1-NH1 2.77Å; D389-R499 IonicContact OD1-NH2 3.34Å; D389-R499 PolarHBondContact OD1-NH2 2.94Å
500T66.6Low80.4Confident57 Ų5751.7 Ų51.735%0.3524%0.236SC..SBendtrans-98.71.3-170.154.80000113.3A502 S654T500-A502 PolarHBondContact O-N 2.77Å; T500-S654 PolarHBondContact O-OG 2.71Å
501K70.1Confident80.6Confident105 Ų10547.2 Ų47.246%0.45722%0.215SC..  trans-77.1122.4-177.1-174.1168.3172.9-169.90109.8Y497 L503Y497-K501 HydrophobicContact CD1-CD 3.87Å; Y497-K501 HydrophobicContact CG-CD 4.41Å; Y497-K501 WeakPolarHBondContact O-CB 3.39Å; Y497-K501 WeakPolarHBondContact O-CD 3.38Å; K501-L503 PolarHBondContact O-N 3.18Å
502A71.3Confident80.9Confident6 Ų647.1 Ų47.15%0.0521%0.214CC..  trans-47.7130.8171.200000111.9T500 I504 A652T500-A502 PolarHBondContact O-N 2.77Å; A502-I504 VanDerWaalsContact C-N 3.27Å; A502-I504 PolarHBondContact O-N 2.77Å; A502-A652 VanDerWaalsContact CB-O 3.23Å; A502-A652 WeakPolarHBondContact CB-O 3.45Å
503L72.2Confident81.1Confident46 Ų4650.5 Ų50.524%0.24123%0.232CC..SBendtrans-59.4-39.8175.6-172.962.6000111.2Y429 I432 L436 K501 S505Y429-L503 HydrophobicContact CD2-CD1 4.18Å; Y429-L503 HydrophobicContact CE1-CD1 4.25Å; Y429-L503 HydrophobicContact CE2-CD1 3.51Å; I432-L503 HydrophobicContact CG2-CD2 4.27Å; L436-L503 HydrophobicContact CD1-CD2 3.2Å; L436-L503 HydrophobicContact CD1-CG 3.76Å; K501-L503 PolarHBondContact O-N 3.18Å; L503-S505 PolarHBondContact O-N 3.34Å
504I77.3Confident81.3Confident7 Ų743.5 Ų43.54%0.03621%0.209CC..SBendtrans-88104175-56.1175.4000109.4L440 A502 M508 M509 I512 A652 F653L440-I504 HydrophobicContact CD1-CD1 3.57Å; A502-I504 VanDerWaalsContact C-N 3.27Å; A502-I504 PolarHBondContact O-N 2.77Å; I504-M508 HydrophobicContact CG2-CB 4.14Å; I504-M509 HydrophobicContact CG2-CB 4.28Å; I504-M509 HydrophobicContact CG2-CE 4.21Å; I504-I512 HydrophobicContact CG2-CD1 4.44Å; I504-A652 HydrophobicContact CD1-CB 4.48Å; I504-F653 HydrophobicContact CD1-CD2 4.09Å; I504-F653 HydrophobicContact CD1-CE2 3.97Å
505S79.6Confident81.8Confident30 Ų3041 Ų4121%0.2120%0.2CC..  trans-72162.8175.6770000112.4L503 T507 M508 M509L503-S505 PolarHBondContact O-N 3.34Å; S505-T507 PolarHBondContact O-N 3.44Å; S505-T507 PolarHBondContact OG-N 2.78Å; S505-M508 PolarHBondContact O-N 3.03Å; S505-M508 VanDerWaalsContact O-N 3.13Å; S505-M508 WeakPolarHBondContact OG-CG 3.4Å; S505-M508 PolarHBondContact OG-N 3.12Å; S505-M508 VanDerWaalsContact OG-N 3.12Å; S505-M509 PolarHBondContact O-N 3.32Å
506R82.7Confident82.2Confident84 Ų8433.2 Ų33.232%0.31717%0.166SC..Hα-helixtrans-60-33.8173.5-63.3-172-163.9164.214.8112.9K510 K648 T651R506-K510 WeakPolarHBondContact O-CB 3.48Å; R506-K510 PolarHBondContact O-N 3.03Å; R506-K648 VanDerWaalsContact NH2-CG 3.25Å; R506-T651 HydrophobicContact CG-CG2 3.67Å
507T85Confident82.7Confident34 Ų3437.2 Ų37.221%0.20919%0.186CC..Hα-helixtrans-67.8-42.2176.3-53.90000110.5S505 K510 N511S505-T507 PolarHBondContact O-N 3.44Å; S505-T507 PolarHBondContact OG-N 2.78Å; T507-K510 WeakPolarHBondContact O-CB 3.35Å; T507-K510 PolarHBondContact O-N 3.17Å; T507-N511 PolarHBondContact O-N 3.24Å; T507-N511 PolarHBondContact O-OD1 2.81Å
508M85.5Confident83.6Confident4 Ų438.1 Ų38.12%0.0219%0.189CC..Hα-helixtrans-64.2-47.5175.2-69.6167.671.400111.5A433 Q437 I504 S505 K510 N511 I512 I573A433-M508 HydrophobicContact CB-CE 3.88Å; A433-M508 HydrophobicContact CB-SD 4.13Å; A433-M508 WeakPolarHBondContact O-CE 3.43Å; Q437-M508 HydrophobicContact CB-CE 4.12Å; I504-M508 HydrophobicContact CG2-CB 4.14Å; S505-M508 PolarHBondContact O-N 3.03Å; S505-M508 VanDerWaalsContact O-N 3.13Å; S505-M508 WeakPolarHBondContact OG-CG 3.4Å; S505-M508 PolarHBondContact OG-N 3.12Å; S505-M508 VanDerWaalsContact OG-N 3.12Å; M508-K510 VanDerWaalsContact C-N 3.27Å; M508-K510 PolarHBondContact O-N 3.49Å; M508-N511 CarbonylContact O-C 3.31Å; M508-N511 WeakPolarHBondContact O-CB 3.47Å; M508-N511 PolarHBondContact O-N 2.95Å; M508-I512 VanDerWaalsContact O-CG1 3.28Å; M508-I512 WeakPolarHBondContact O-CG1 3.39Å; M508-I512 PolarHBondContact O-N 2.91Å; M508-I573 HydrophobicContact CG-CB 4.31Å
509M86.7Confident84.6Confident35 Ų3537.8 Ų37.817%0.17219%0.187CC..Hα-helixtrans-59-40.3176.9-175.76176.800111.9I504 S505 N511 I512 I513 L650I504-M509 HydrophobicContact CG2-CB 4.28Å; I504-M509 HydrophobicContact CG2-CE 4.21Å; S505-M509 PolarHBondContact O-N 3.32Å; M509-N511 VanDerWaalsContact C-N 3.34Å; M509-I512 PolarHBondContact O-N 3.16Å; M509-I513 HydrophobicContact CG-CD1 3.84Å; M509-I513 HydrophobicContact CG-CG1 4.47Å; M509-I513 WeakPolarHBondContact O-CB 3.34Å; M509-I513 WeakPolarHBondContact O-CG1 3.47Å; M509-I513 PolarHBondContact O-N 2.88Å; M509-I513 HydrophobicContact SD-CD1 3.87Å; M509-I513 HydrophobicContact SD-CG1 4.1Å; M509-L650 WeakPolarHBondContact CE-O 3.47Å; M509-L650 HydrophobicContact CG-CB 4.26Å
510K89Confident85.7Confident22 Ų2234.3 Ų34.310%0.09618%0.175CC..Hα-helixtrans-58.5-47173-175.6-174.860.7152.90111.5R506 T507 M508 G514 V638 T639 I641 L646R506-K510 WeakPolarHBondContact O-CB 3.48Å; R506-K510 PolarHBondContact O-N 3.03Å; T507-K510 WeakPolarHBondContact O-CB 3.35Å; T507-K510 PolarHBondContact O-N 3.17Å; M508-K510 VanDerWaalsContact C-N 3.27Å; M508-K510 PolarHBondContact O-N 3.49Å; K510-G514 WeakPolarHBondContact O-CA 3.35Å; K510-G514 PolarHBondContact O-N 3.31Å; K510-V638 WeakPolarHBondContact CE-O 3.48Å; K510-V638 HydrophobicContact CG-CG1 4.12Å; K510-V638 PolarHBondContact NZ-O 2.85Å; K510-T639 PolarHBondContact NZ-O 3.36Å; K510-I641 HydrophobicContact CD-CB 4.27Å; K510-I641 HydrophobicContact CD-CG2 4.44Å; K510-I641 PolarHBondContact NZ-O 2.89Å; K510-L646 HydrophobicContact CB-CD1 3.61Å; K510-L646 HydrophobicContact CD-CD1 4.33Å; K510-L646 HydrophobicContact CG-CD1 3.97Å
511N90.3Very high87Confident5 Ų535.6 Ų35.63%0.02718%0.183CC..Hα-helixtrans-64.5-46179.3-66.5-7.4000110.6Q437 T507 M508 M509 I513 G514 H515Q437-N511 HydrophobicContact CG-CB 4.37Å; Q437-N511 PolarHBondContact OE1-ND2 3.02Å; T507-N511 PolarHBondContact O-N 3.24Å; T507-N511 PolarHBondContact O-OD1 2.81Å; M508-N511 CarbonylContact O-C 3.31Å; M508-N511 WeakPolarHBondContact O-CB 3.47Å; M508-N511 PolarHBondContact O-N 2.95Å; M509-N511 VanDerWaalsContact C-N 3.34Å; N511-I513 PolarHBondContact O-N 2.94Å; N511-G514 PolarHBondContact O-N 3Å; N511-H515 WeakPolarHBondContact O-CB 3.27Å; N511-H515 PolarHBondContact O-CD2 3.33Å; N511-H515 PolarHBondContact O-N 3.15Å
512I90.5Very high88.2Confident9 Ų931.3 Ų31.35%0.04617%0.165CC..Hα-helixtrans-56.6-56.1178.6-66.1163.8000110Q437 L440 T441 I504 M508 M509 G514 S516Q437-I512 HydrophobicContact CG-CG1 4.05Å; L440-I512 HydrophobicContact CB-CD1 4.09Å; L440-I512 HydrophobicContact CB-CG2 4.4Å; L440-I512 HydrophobicContact CD1-CD1 4.04Å; T441-I512 WeakPolarHBondContact OG1-CA 3.41Å; I504-I512 HydrophobicContact CG2-CD1 4.44Å; M508-I512 VanDerWaalsContact O-CG1 3.28Å; M508-I512 WeakPolarHBondContact O-CG1 3.39Å; M508-I512 PolarHBondContact O-N 2.91Å; M509-I512 PolarHBondContact O-N 3.16Å; I512-G514 VanDerWaalsContact C-N 3.34Å; I512-G514 PolarHBondContact O-N 2.92Å; I512-S516 VanDerWaalsContact O-CB 3.25Å; I512-S516 WeakPolarHBondContact O-CB 3.18Å; I512-S516 PolarHBondContact O-N 3.32Å; I512-S516 PolarHBondContact O-OG 3.35Å
513I91.8Very high89.2Confident85 Ų8531 Ų3144%0.43616%0.163SC..Hα-helixtrans-62.7-41.7-179.7-64.8170.5000111.2M509 N511 L517M509-I513 HydrophobicContact CG-CD1 3.84Å; M509-I513 HydrophobicContact CG-CG1 4.47Å; M509-I513 WeakPolarHBondContact O-CB 3.34Å; M509-I513 WeakPolarHBondContact O-CG1 3.47Å; M509-I513 PolarHBondContact O-N 2.88Å; M509-I513 HydrophobicContact SD-CD1 3.87Å; M509-I513 HydrophobicContact SD-CG1 4.1Å; N511-I513 PolarHBondContact O-N 2.94Å; I513-L517 WeakPolarHBondContact O-CB 3.42Å; I513-L517 PolarHBondContact O-N 3.37Å
514G92.2Very high90.2Very high12 Ų1230.7 Ų30.712%0.12416%0.16CC..Hα-helixtrans-62.7-48.7-178.600000112.9K510 N511 I512 Y518 W634K510-G514 WeakPolarHBondContact O-CA 3.35Å; K510-G514 PolarHBondContact O-N 3.31Å; N511-G514 PolarHBondContact O-N 3Å; I512-G514 VanDerWaalsContact C-N 3.34Å; I512-G514 PolarHBondContact O-N 2.92Å; G514-Y518 PolarHBondContact O-N 3.23Å; G514-W634 PolarHBondContact O-NE1 3.46Å
515H94.3Very high90.9Very high4 Ų433.4 Ų33.42%0.01918%0.177CC..Hα-helixtrans-69.3-42.4176.9-75.6-73.4000111.5T441 N511 L517 Y518 Q519 N566 N569 D631 G635T441-H515 HydrophobicContact CG2-CB 3.8Å; N511-H515 WeakPolarHBondContact O-CB 3.27Å; N511-H515 PolarHBondContact O-CD2 3.33Å; N511-H515 PolarHBondContact O-N 3.15Å; H515-L517 VanDerWaalsContact C-N 3.3Å; H515-L517 PolarHBondContact O-N 2.65Å; H515-Y518 PolarHBondContact O-N 3.36Å; H515-Q519 WeakPolarHBondContact O-CG 3.45Å; H515-Q519 PolarHBondContact O-N 2.9Å; H515-N566 PolarHBondContact ND1-OD1 2.95Å; H515-N569 PolarHBondContact CE1-ND2 3.21Å; H515-D631 IonicContact CE1-OD1 3.87Å; H515-D631 IonicContact CE1-OD2 3.77Å; H515-D631 IonicContact CG-OD1 3.08Å; H515-D631 IonicContact ND1-OD1 2.83Å; H515-D631 PolarHBondContact ND1-OD1 2.97Å; H515-D631 IonicContact ND1-OD2 3.89Å; H515-D631 PolarHBondContact ND1-OD2 3.3Å; H515-D631 VanDerWaalsContact ND1-OD2 3.12Å; H515-G635 VanDerWaalsContact CE1-CA 3.42Å; H515-G635 WeakPolarHBondContact CE1-CA 3.41Å
516S94.1Very high91.4Very high4 Ų432.3 Ų32.33%0.02817%0.169CC..Hα-helixtrans-60-39.8176.6-64.80000112T441 I512 L520T441-S516 PolarHBondContact O-OG 3.17Å; I512-S516 VanDerWaalsContact O-CB 3.25Å; I512-S516 WeakPolarHBondContact O-CB 3.18Å; I512-S516 PolarHBondContact O-N 3.32Å; I512-S516 PolarHBondContact O-OG 3.35Å; S516-L520 VanDerWaalsContact O-CB 3.29Å; S516-L520 WeakPolarHBondContact O-CB 3.42Å; S516-L520 WeakPolarHBondContact O-CD1 3.37Å; S516-L520 WeakPolarHBondContact O-CG 3.37Å; S516-L520 PolarHBondContact O-N 2.95Å
517L94.8Very high91.7Very high104 Ų10428.4 Ų28.455%0.54515%0.154SC..Hα-helixtrans-62.7-45.5176.1-17472.8000111.9I513 H515 L520 V521I513-L517 WeakPolarHBondContact O-CB 3.42Å; I513-L517 PolarHBondContact O-N 3.37Å; H515-L517 VanDerWaalsContact C-N 3.3Å; H515-L517 PolarHBondContact O-N 2.65Å; L517-L520 PolarHBondContact O-N 3.25Å; L517-V521 VanDerWaalsContact O-CG2 3.28Å; L517-V521 WeakPolarHBondContact O-CG2 3.48Å; L517-V521 PolarHBondContact O-N 2.88Å
518Y95.7Very high91.9Very high41 Ų4130.9 Ų30.916%0.16116%0.162CC..Hα-helixtrans-60.7-51177.6174-98.5000111.5G514 H515 L520 V521 V522 M562 L627 G630 D631 W634G514-Y518 PolarHBondContact O-N 3.23Å; H515-Y518 PolarHBondContact O-N 3.36Å; Y518-L520 VanDerWaalsContact C-N 3.33Å; Y518-L520 PolarHBondContact O-N 3.49Å; Y518-V521 PolarHBondContact O-N 3.42Å; Y518-V522 HydrophobicContact CD1-CG2 4.47Å; Y518-V522 HydrophobicContact CD2-CG2 4.43Å; Y518-V522 HydrophobicContact CE1-CG2 4.03Å; Y518-V522 HydrophobicContact CE2-CG2 4Å; Y518-V522 WeakPolarHBondContact O-CG2 3.09Å; Y518-V522 PolarHBondContact O-N 2.62Å; Y518-M562 HydrophobicContact CD1-SD 4.36Å; Y518-M562 HydrophobicContact CE1-SD 3.95Å; Y518-L627 PolarHBondContact OH-O 3.36Å; Y518-G630 WeakPolarHBondContact OH-CA 3.38Å; Y518-D631 HydrophobicContact CD1-CB 4Å; Y518-D631 WeakPolarHBondContact CD1-OD1 3.42Å; Y518-D631 HydrophobicContact CE1-CB 3.75Å; Y518-W634 VanDerWaalsContact CB-CD1 3.42Å; Y518-W634 HydrophobicContact CD2-CB 4.1Å; Y518-W634 HydrophobicContact CD2-CD2 4.01Å; Y518-W634 HydrophobicContact CD2-CE3 4.38Å; Y518-W634 AromaticContact CD2-CG 3.87Å; Y518-W634 HydrophobicContact CD2-CG 3.87Å; Y518-W634 HydrophobicContact CE2-CB 4.43Å; Y518-W634 HydrophobicContact CG-CB 4.19Å; Y518-W634 AromaticContact CG-CD1 3.85Å; Y518-W634 HydrophobicContact CG-CD2 4.34Å; Y518-W634 AromaticContact CG-CG 3.87Å; Y518-W634 HydrophobicContact CG-CG 3.87Å
519Q94.7Very high91.9Very high0 Ų033.7 Ų33.70%018%0.179CC..Hα-helixtrans-59.8-43.5179.1-67.8-178.45.200111.3V445 H515 V521 V522 I523 M562V445-Q519 HydrophobicContact CG1-CB 4.05Å; V445-Q519 HydrophobicContact CG2-CB 3.93Å; H515-Q519 WeakPolarHBondContact O-CG 3.45Å; H515-Q519 PolarHBondContact O-N 2.9Å; Q519-V521 PolarHBondContact O-N 3.4Å; Q519-V522 PolarHBondContact O-N 2.95Å; Q519-I523 WeakPolarHBondContact O-CB 3.31Å; Q519-I523 VanDerWaalsContact O-CG1 3.24Å; Q519-I523 WeakPolarHBondContact O-CG1 3.24Å; Q519-I523 PolarHBondContact O-N 3.06Å; Q519-M562 HydrophobicContact CB-CE 4.19Å; Q519-M562 HydrophobicContact CB-SD 4.37Å; Q519-M562 HydrophobicContact CG-CB 4.14Å; Q519-M562 HydrophobicContact CG-CE 4.24Å; Q519-M562 HydrophobicContact CG-SD 4.02Å
520L95.1Very high91.8Very high26 Ų2632.1 Ų32.114%0.13617%0.172CC..Hα-helixtrans-62-44.8176.9-73.4169.1000112.6V445 V448 V449 S516 L517 Y518 V522 I523 F524V445-L520 HydrophobicContact CG1-CD2 4.03Å; V445-L520 HydrophobicContact CG1-CG 4.33Å; V445-L520 HydrophobicContact CG2-CG 4.29Å; V448-L520 HydrophobicContact CB-CD1 4.35Å; V448-L520 HydrophobicContact CB-CD2 3.82Å; V448-L520 HydrophobicContact CG1-CD1 4Å; V448-L520 HydrophobicContact CG1-CD2 3.57Å; V448-L520 HydrophobicContact CG1-CG 4.46Å; V449-L520 HydrophobicContact CG2-CD2 3.72Å; S516-L520 VanDerWaalsContact O-CB 3.29Å; S516-L520 WeakPolarHBondContact O-CB 3.42Å; S516-L520 WeakPolarHBondContact O-CD1 3.37Å; S516-L520 WeakPolarHBondContact O-CG 3.37Å; S516-L520 PolarHBondContact O-N 2.95Å; L517-L520 PolarHBondContact O-N 3.25Å; Y518-L520 VanDerWaalsContact C-N 3.33Å; Y518-L520 PolarHBondContact O-N 3.49Å; L520-V522 VanDerWaalsContact C-N 3.34Å; L520-V522 PolarHBondContact O-N 3.18Å; L520-I523 PolarHBondContact O-N 3Å; L520-F524 HydrophobicContact CB-CD2 4.29Å; L520-F524 HydrophobicContact CB-CE2 4.18Å; L520-F524 HydrophobicContact CD2-CE2 3.74Å; L520-F524 HydrophobicContact CD2-CZ 4.18Å; L520-F524 WeakPolarHBondContact O-CB 3.29Å; L520-F524 WeakPolarHBondContact O-CD2 3.33Å; L520-F524 WeakPolarHBondContact O-CG 3.35Å; L520-F524 PolarHBondContact O-N 3.4Å
521V94.8Very high91.5Very high85 Ų8532.4 Ų32.452%0.51517%0.174SC..Hα-helixtrans-61.3-45.1178169.60000110.7L517 Y518 Q519 T525L517-V521 VanDerWaalsContact O-CG2 3.28Å; L517-V521 WeakPolarHBondContact O-CG2 3.48Å; L517-V521 PolarHBondContact O-N 2.88Å; Y518-V521 PolarHBondContact O-N 3.42Å; Q519-V521 PolarHBondContact O-N 3.4Å; V521-T525 VanDerWaalsContact O-CB 3.3Å; V521-T525 WeakPolarHBondContact O-CB 3.28Å; V521-T525 PolarHBondContact O-N 2.94Å; V521-T525 PolarHBondContact O-OG1 3.49Å
522V94.3Very high91.1Very high14 Ų1441.7 Ų41.79%0.08521%0.208CC..Hα-helixtrans-64.1-50.4177.9173.40000110.9Y518 Q519 L520 F524 T525 L526 T558 M562 L627Y518-V522 HydrophobicContact CD1-CG2 4.47Å; Y518-V522 HydrophobicContact CD2-CG2 4.43Å; Y518-V522 HydrophobicContact CE1-CG2 4.03Å; Y518-V522 HydrophobicContact CE2-CG2 4Å; Y518-V522 WeakPolarHBondContact O-CG2 3.09Å; Y518-V522 PolarHBondContact O-N 2.62Å; Q519-V522 PolarHBondContact O-N 2.95Å; L520-V522 VanDerWaalsContact C-N 3.34Å; L520-V522 PolarHBondContact O-N 3.18Å; V522-F524 PolarHBondContact O-N 3.49Å; V522-T525 PolarHBondContact O-N 3.44Å; V522-L526 HydrophobicContact CG1-CD1 4.11Å; V522-L526 WeakPolarHBondContact O-CG 3.14Å; V522-L526 PolarHBondContact O-N 3.47Å; V522-T558 HydrophobicContact CG1-CG2 4.04Å; V522-M562 HydrophobicContact CB-CE 4.3Å; V522-M562 HydrophobicContact CB-SD 3.91Å; V522-M562 HydrophobicContact CG1-CE 4.09Å; V522-M562 HydrophobicContact CG1-SD 3.8Å; V522-M562 HydrophobicContact CG2-SD 4.28Å; V522-L627 HydrophobicContact CG1-CB 4.26Å; V522-L627 HydrophobicContact CG1-CD1 4.01Å; V522-L627 HydrophobicContact CG1-CD2 4.18Å; V522-L627 HydrophobicContact CG1-CG 4.38Å
523I93.1Very high90.7Very high1 Ų145.8 Ų45.81%0.00523%0.229CC..Hα-helixtrans-61.3-47.6-179-67.6-56.2000111.4V449 Q519 L520 T525 L526 V527 V555 F559 M562V449-I523 HydrophobicContact CG1-CG2 3.97Å; V449-I523 HydrophobicContact CG2-CB 4.31Å; V449-I523 HydrophobicContact CG2-CG2 3.72Å; Q519-I523 WeakPolarHBondContact O-CB 3.31Å; Q519-I523 VanDerWaalsContact O-CG1 3.24Å; Q519-I523 WeakPolarHBondContact O-CG1 3.24Å; Q519-I523 PolarHBondContact O-N 3.06Å; L520-I523 PolarHBondContact O-N 3Å; I523-T525 VanDerWaalsContact C-N 3.32Å; I523-T525 PolarHBondContact O-N 2.66Å; I523-L526 PolarHBondContact O-N 3.43Å; I523-V527 HydrophobicContact CG2-CG2 4.1Å; I523-V527 WeakPolarHBondContact O-CB 3.47Å; I523-V527 VanDerWaalsContact O-CG2 3.24Å; I523-V527 WeakPolarHBondContact O-CG2 3.4Å; I523-V527 PolarHBondContact O-N 3.45Å; I523-V555 HydrophobicContact CD1-CG1 4.17Å; I523-V555 HydrophobicContact CG2-CG1 4.05Å; I523-F559 HydrophobicContact CD1-CB 3.78Å; I523-F559 HydrophobicContact CD1-CD2 4.35Å; I523-F559 HydrophobicContact CD1-CG 4.5Å; I523-F559 HydrophobicContact CG1-CD2 4.35Å; I523-M562 HydrophobicContact CD1-CE 3.55Å; I523-M562 HydrophobicContact CG1-CE 3.73Å
524F92.6Very high90.2Very high39 Ų3943.3 Ų43.317%0.17122%0.215CC..Hα-helixtrans-66-35.3178.4-71.1-50.6000112.5V448 V449 I452 L520 V522 L526 V527 F528V448-F524 HydrophobicContact CG1-CE2 4.37Å; V448-F524 HydrophobicContact CG1-CZ 4.28Å; V449-F524 HydrophobicContact CG2-CZ 4.4Å; I452-F524 HydrophobicContact CB-CE1 3.75Å; I452-F524 HydrophobicContact CB-CZ 3.62Å; I452-F524 HydrophobicContact CD1-CE1 4.47Å; I452-F524 HydrophobicContact CD1-CE2 3.93Å; I452-F524 HydrophobicContact CD1-CZ 3.59Å; I452-F524 HydrophobicContact CG1-CZ 4.1Å; I452-F524 HydrophobicContact CG2-CD1 4.29Å; I452-F524 HydrophobicContact CG2-CE1 3.46Å; I452-F524 VanDerWaalsContact CG2-CE1 3.46Å; I452-F524 HydrophobicContact CG2-CZ 3.67Å; L520-F524 HydrophobicContact CB-CD2 4.29Å; L520-F524 HydrophobicContact CB-CE2 4.18Å; L520-F524 HydrophobicContact CD2-CE2 3.74Å; L520-F524 HydrophobicContact CD2-CZ 4.18Å; L520-F524 WeakPolarHBondContact O-CB 3.29Å; L520-F524 WeakPolarHBondContact O-CD2 3.33Å; L520-F524 WeakPolarHBondContact O-CG 3.35Å; L520-F524 PolarHBondContact O-N 3.4Å; V522-F524 PolarHBondContact O-N 3.49Å; F524-L526 VanDerWaalsContact C-N 3.32Å; F524-L526 PolarHBondContact O-N 3.12Å; F524-V527 PolarHBondContact O-N 2.92Å; F524-F528 HydrophobicContact CB-CD2 4.19Å; F524-F528 HydrophobicContact CB-CE2 4.31Å; F524-F528 HydrophobicContact CD1-CD2 4.49Å; F524-F528 AromaticContact CD1-CE2 3.88Å; F524-F528 HydrophobicContact CD1-CE2 3.88Å; F524-F528 HydrophobicContact CG-CE2 4.41Å; F524-F528 VanDerWaalsContact O-CD2 3.23Å; F524-F528 WeakPolarHBondContact O-CD2 3.44Å; F524-F528 PolarHBondContact O-N 3.29Å
525T92.2Very high89.7Confident64 Ų6450.1 Ų50.139%0.39325%0.249SC..Hα-helixtrans-61.2-43.9173-57.80000110.8V521 V522 I523 V529 G530 I533V521-T525 VanDerWaalsContact O-CB 3.3Å; V521-T525 WeakPolarHBondContact O-CB 3.28Å; V521-T525 PolarHBondContact O-N 2.94Å; V521-T525 PolarHBondContact O-OG1 3.49Å; V522-T525 PolarHBondContact O-N 3.44Å; I523-T525 VanDerWaalsContact C-N 3.32Å; I523-T525 PolarHBondContact O-N 2.66Å; T525-V529 CarbonylContact O-C 3.56Å; T525-V529 VanDerWaalsContact O-CA 3.32Å; T525-V529 WeakPolarHBondContact O-CA 3.18Å; T525-V529 VanDerWaalsContact O-CB 3.31Å; T525-V529 WeakPolarHBondContact O-CB 3.47Å; T525-V529 PolarHBondContact O-N 3.02Å; T525-G530 PolarHBondContact O-N 3.44Å; T525-I533 HydrophobicContact CG2-CD1 4.34Å
526L90.9Very high89Confident7 Ų751 Ų514%0.03725%0.254CS..Hα-helixtrans-66.6-40.8176.2-67.6175.7000112.2V522 I523 F524 G530 F534 H551 I554 V555 T558 L627V522-L526 HydrophobicContact CG1-CD1 4.11Å; V522-L526 WeakPolarHBondContact O-CG 3.14Å; V522-L526 PolarHBondContact O-N 3.47Å; I523-L526 PolarHBondContact O-N 3.43Å; F524-L526 VanDerWaalsContact C-N 3.32Å; F524-L526 PolarHBondContact O-N 3.12Å; L526-G530 WeakPolarHBondContact O-CA 3.41Å; L526-G530 PolarHBondContact O-N 3.1Å; L526-F534 HydrophobicContact CD2-CE2 3.7Å; L526-F534 HydrophobicContact CD2-CZ 4.42Å; L526-H551 PolarHBondContact O-NE2 3.23Å; L526-I554 HydrophobicContact CD1-CG2 4.44Å; L526-I554 HydrophobicContact CD2-CG2 4.26Å; L526-V555 HydrophobicContact CB-CG2 3.9Å; L526-T558 HydrophobicContact CD1-CG2 3.8Å; L526-L627 HydrophobicContact CD1-CD1 4.1Å; L526-L627 HydrophobicContact CD2-CD1 4.19Å; L526-L627 HydrophobicContact CG-CD1 4.49Å
527V88.4Confident88.2Confident2 Ų257.4 Ų57.41%0.01229%0.288CS..Hα-helixtrans-65.7-45.4179.8168.70000111.8I457 P461 I523 F524 R540 H551 V555I457-V527 HydrophobicContact CD1-CG1 3.35Å; P461-V527 HydrophobicContact CB-CG2 3.85Å; P461-V527 HydrophobicContact CG-CG2 4.47Å; I523-V527 HydrophobicContact CG2-CG2 4.1Å; I523-V527 WeakPolarHBondContact O-CB 3.47Å; I523-V527 VanDerWaalsContact O-CG2 3.24Å; I523-V527 WeakPolarHBondContact O-CG2 3.4Å; I523-V527 PolarHBondContact O-N 3.45Å; F524-V527 PolarHBondContact O-N 2.92Å; V527-R540 PolarHBondContact O-NH1 3.01Å; V527-H551 PolarHBondContact O-CE1 3.02Å; V527-H551 VanDerWaalsContact O-CE1 3.26Å; V527-H551 PolarHBondContact O-NE2 3.14Å; V527-V555 HydrophobicContact CG2-CG1 3.88Å; V527-V555 HydrophobicContact CG2-CG2 3.93Å
528F88Confident87.3Confident85 Ų8554.5 Ų54.537%0.37328%0.277SS..Hα-helixtrans-91-29.9-175.6-67.2-65.4000114.4A456 F524 R540A456-F528 HydrophobicContact CB-CE1 3.97Å; A456-F528 HydrophobicContact CB-CZ 3.71Å; F524-F528 HydrophobicContact CB-CD2 4.19Å; F524-F528 HydrophobicContact CB-CE2 4.31Å; F524-F528 HydrophobicContact CD1-CD2 4.49Å; F524-F528 AromaticContact CD1-CE2 3.88Å; F524-F528 HydrophobicContact CD1-CE2 3.88Å; F524-F528 HydrophobicContact CG-CE2 4.41Å; F524-F528 VanDerWaalsContact O-CD2 3.23Å; F524-F528 WeakPolarHBondContact O-CD2 3.44Å; F524-F528 PolarHBondContact O-N 3.29Å; F528-R540 VanDerWaalsContact CA-NH1 3.33Å; F528-R540 PolarHBondContact O-NH1 2.74Å
529V87.2Confident86Confident63 Ų6352.8 Ų52.838%0.38227%0.272SS..Hα-helixtrans-120.9-12.5-173.1-163.40000112.2T525 E531 R532 I533T525-V529 CarbonylContact O-C 3.56Å; T525-V529 VanDerWaalsContact O-CA 3.32Å; T525-V529 WeakPolarHBondContact O-CA 3.18Å; T525-V529 VanDerWaalsContact O-CB 3.31Å; T525-V529 WeakPolarHBondContact O-CB 3.47Å; T525-V529 PolarHBondContact O-N 3.02Å; V529-E531 VanDerWaalsContact C-N 3.32Å; V529-E531 PolarHBondContact O-N 2.93Å; V529-R532 PolarHBondContact O-N 2.87Å; V529-I533 HydrophobicContact CB-CD1 4.09Å; V529-I533 HydrophobicContact CG1-CD1 3.89Å; V529-I533 HydrophobicContact CG1-CG1 4.04Å; V529-I533 WeakPolarHBondContact O-CG1 3.31Å; V529-I533 PolarHBondContact O-N 2.77Å; V529-I533 VanDerWaalsContact O-N 3.12Å
530G83Confident84.8Confident2 Ų254.6 Ų54.62%0.02128%0.279CS..Hα-helixtrans-58-37.5-176.100000114.5T525 L526 R532 I533 F534T525-G530 PolarHBondContact O-N 3.44Å; L526-G530 WeakPolarHBondContact O-CA 3.41Å; L526-G530 PolarHBondContact O-N 3.1Å; G530-R532 PolarHBondContact O-N 2.97Å; G530-I533 PolarHBondContact O-N 3.39Å; G530-F534 WeakPolarHBondContact O-CD2 3.49Å; G530-F534 PolarHBondContact O-N 3.41Å
531E82.8Confident83.5Confident29 Ų2962.5 Ų62.514%0.13631%0.308CS..Hα-helixtrans-55.9-37.8175.572.5-168.9-170.600112.6V529 D535 V536 S538 R540V529-E531 VanDerWaalsContact C-N 3.32Å; V529-E531 PolarHBondContact O-N 2.93Å; E531-D535 WeakPolarHBondContact O-CA 3.42Å; E531-D535 PolarHBondContact O-N 3.11Å; E531-V536 PolarHBondContact O-N 3.48Å; E531-V536 VanDerWaalsContact O-N 3.13Å; E531-S538 WeakPolarHBondContact OE2-CB 3.44Å; E531-S538 PolarHBondContact OE2-OG 3.17Å; E531-R540 IonicContact OE1-CZ 3.59Å; E531-R540 IonicContact OE1-NH1 3.36Å; E531-R540 IonicContact OE1-NH2 2.75Å; E531-R540 PolarHBondContact OE1-NH2 2.85Å; E531-R540 IonicContact OE2-CZ 3.52Å; E531-R540 IonicContact OE2-NE 2.7Å; E531-R540 IonicContact OE2-NH1 3.58Å; E531-R540 PolarHBondContact OE2-NH1 2.79Å; E531-R540 IonicContact OE2-NH2 3.47Å; E531-R540 PolarHBondContact OE2-NH2 3.27Å; E531-R540 VanDerWaalsContact OE2-NH2 3.09Å
532R82.5Confident82Confident200 Ų20060.7 Ų60.776%0.75530%0.302SS*.Hα-helixtrans-82.1-31.3-179.6-62.6-175.4-175.1170.3-0.1112.2V529 G530V529-R532 PolarHBondContact O-N 2.87Å; G530-R532 PolarHBondContact O-N 2.97Å
533I82Confident80.5Confident95 Ų9568.6 Ų68.649%0.48734%0.335SS..Hα-helixtrans-72-40.4-178.8-68.9166.8000110.4T525 V529 G530T525-I533 HydrophobicContact CG2-CD1 4.34Å; V529-I533 HydrophobicContact CB-CD1 4.09Å; V529-I533 HydrophobicContact CG1-CD1 3.89Å; V529-I533 HydrophobicContact CG1-CG1 4.04Å; V529-I533 WeakPolarHBondContact O-CG1 3.31Å; V529-I533 PolarHBondContact O-N 2.77Å; V529-I533 VanDerWaalsContact O-N 3.12Å; G530-I533 PolarHBondContact O-N 3.39Å
534F82.5Confident78.8Confident32 Ų3275.8 Ų75.814%0.1437%0.373CS..Hα-helixtrans-100.4-1.5-175.6-65.9-77.6000114.1L526 G530 V536 I554 Q620 W623L526-F534 HydrophobicContact CD2-CE2 3.7Å; L526-F534 HydrophobicContact CD2-CZ 4.42Å; G530-F534 WeakPolarHBondContact O-CD2 3.49Å; G530-F534 PolarHBondContact O-N 3.41Å; F534-V536 HydrophobicContact CB-CG2 3.61Å; F534-V536 WeakPolarHBondContact O-CG2 3.2Å; F534-V536 PolarHBondContact O-N 3.39Å; F534-I554 HydrophobicContact CB-CD1 4.24Å; F534-I554 HydrophobicContact CD1-CD1 4.28Å; F534-I554 HydrophobicContact CD2-CD1 3.98Å; F534-I554 HydrophobicContact CD2-CG2 4.48Å; F534-I554 HydrophobicContact CE2-CD1 4.45Å; F534-I554 HydrophobicContact CE2-CG2 4.02Å; F534-I554 HydrophobicContact CG-CD1 3.9Å; F534-I554 HydrophobicContact CZ-CG2 4.32Å; F534-Q620 HydrophobicContact CD1-CG 4.17Å; F534-W623 HydrophobicContact CE1-CB 3.63Å; F534-W623 AromaticContact CE1-CD1 3.54Å; F534-W623 HydrophobicContact CE1-CD2 4.49Å; F534-W623 AromaticContact CE1-CG 3.61Å; F534-W623 HydrophobicContact CE1-CG 3.61Å; F534-W623 HydrophobicContact CZ-CB 3.77Å; F534-W623 HydrophobicContact CZ-CG 4.03Å
535D80.1Confident77.2Confident156 Ų15682.7 Ų82.783%0.83441%0.406SS*.THydrogen-bonded Turntrans52.551.7-174.9-160.433.4000112.4E531E531-D535 WeakPolarHBondContact O-CA 3.42Å; E531-D535 PolarHBondContact O-N 3.11Å
536V80.1Confident76Confident21 Ų2181.7 Ų81.713%0.12740%0.401CS..  trans-120.7145.7-174.6-176.90000110E531 F534 S538 Q550 H551E531-V536 PolarHBondContact O-N 3.48Å; E531-V536 VanDerWaalsContact O-N 3.13Å; F534-V536 HydrophobicContact CB-CG2 3.61Å; F534-V536 WeakPolarHBondContact O-CG2 3.2Å; F534-V536 PolarHBondContact O-N 3.39Å; V536-S538 PolarHBondContact O-N 3.01Å; V536-Q550 HydrophobicContact CG1-CB 3.48Å; V536-Q550 VanDerWaalsContact CG1-CB 3.48Å; V536-H551 HydrophobicContact CG1-CB 4.41Å
537D78.4Confident75Confident139 Ų13986.3 Ų86.374%0.74343%0.432SS*.  trans-49126172.2-69.3-32.9000112.2G539D537-G539 PolarHBondContact O-N 2.98Å
538S74.3Confident74.3Confident44 Ų4488.5 Ų88.531%0.30845%0.446SS..  trans-62.6126.9-179.9-173.20000111.3E531 V536 R540E531-S538 WeakPolarHBondContact OE2-CB 3.44Å; E531-S538 PolarHBondContact OE2-OG 3.17Å; V536-S538 PolarHBondContact O-N 3.01Å; S538-R540 PolarHBondContact OG-N 2.89Å
539G70.1Confident74.1Confident5 Ų585.7 Ų85.75%0.05244%0.436CS..SBendtrans-76.6-19.8169.800000114.3D537 Y541 A542 H551 F552D537-G539 PolarHBondContact O-N 2.98Å; G539-Y541 VanDerWaalsContact C-N 3.3Å; G539-Y541 PolarHBondContact O-N 2.9Å; G539-Y541 VanDerWaalsContact O-N 3.17Å; G539-A542 WeakPolarHBondContact O-CB 3.42Å; G539-A542 PolarHBondContact O-N 2.87Å; G539-H551 PolarHBondContact N-ND1 2.9Å; G539-F552 VanDerWaalsContact CA-CE2 3.44Å; G539-F552 VanDerWaalsContact O-CE2 3.24Å; G539-F552 WeakPolarHBondContact O-CE2 3.39Å
540R68.2Low74Confident37 Ų3786.2 Ų86.214%0.1443%0.434CS..THydrogen-bonded Turntrans-67-23.3-161.8-64.6-163.4-61.1-102.4-3.4115.7I457 V527 F528 E531 S538I457-R540 HydrophobicContact CD1-CG 4.15Å; I457-R540 HydrophobicContact CG2-CB 4.12Å; I457-R540 HydrophobicContact CG2-CG 4.43Å; I457-R540 WeakPolarHBondContact CG2-O 3.31Å; V527-R540 PolarHBondContact O-NH1 3.01Å; F528-R540 VanDerWaalsContact CA-NH1 3.33Å; F528-R540 PolarHBondContact O-NH1 2.74Å; E531-R540 IonicContact OE1-CZ 3.59Å; E531-R540 IonicContact OE1-NH1 3.36Å; E531-R540 IonicContact OE1-NH2 2.75Å; E531-R540 PolarHBondContact OE1-NH2 2.85Å; E531-R540 IonicContact OE2-CZ 3.52Å; E531-R540 IonicContact OE2-NE 2.7Å; E531-R540 IonicContact OE2-NH1 3.58Å; E531-R540 PolarHBondContact OE2-NH1 2.79Å; E531-R540 IonicContact OE2-NH2 3.47Å; E531-R540 PolarHBondContact OE2-NH2 3.27Å; E531-R540 VanDerWaalsContact OE2-NH2 3.09Å; S538-R540 PolarHBondContact OG-N 2.89Å
541Y67.7Low74.2Confident192 Ų19286.2 Ų86.275%0.75343%0.433SS*.THydrogen-bonded Turntrans-123.920.6-178.2-57.1-70.4000112.5G539G539-Y541 VanDerWaalsContact C-N 3.3Å; G539-Y541 PolarHBondContact O-N 2.9Å; G539-Y541 VanDerWaalsContact O-N 3.17Å
542A64.1Low74.4Confident48 Ų4886.2 Ų86.240%0.39743%0.433SS..PPolyproline II helixtrans-67137.4177.900000109.9G539G539-A542 WeakPolarHBondContact O-CB 3.42Å; G539-A542 PolarHBondContact O-N 2.87Å
543K62.8Low74.8Confident179 Ų17976.8 Ų76.878%0.77840%0.397SS*.PPolyproline II helixtrans-60.3148.6177.1-69.2-180-179.7176.90110.5H545 S546K543-H545 PolarHBondContact O-N 3.3Å; K543-H545 VanDerWaalsContact O-N 3.12Å; K543-S546 PolarHBondContact N-OG 3.13Å; K543-S546 WeakPolarHBondContact O-CB 3.46Å; K543-S546 PolarHBondContact O-N 2.96Å; K543-S546 PolarHBondContact O-OG 3.44Å
544L56Low75.3Confident153 Ų15372.4 Ų72.480%0.80138%0.375SS*.THydrogen-bonded Turntrans-47.3118.6168.9-153.275.6000108.4
545H60.8Low75.7Confident184 Ų18470.9 Ų70.985%0.85237%0.368SS*.THydrogen-bonded Turntrans84.913.4-172-46.3-69.4000118.9K543K543-H545 PolarHBondContact O-N 3.3Å; K543-H545 VanDerWaalsContact O-N 3.12Å
546S65.4Low76.3Confident43 Ų4363.5 Ų63.530%0.30133%0.329SS..PPolyproline II helixtrans-63.8151.2169.8-60.10000111.8K543K543-S546 PolarHBondContact N-OG 3.13Å; K543-S546 WeakPolarHBondContact O-CB 3.46Å; K543-S546 PolarHBondContact O-N 2.96Å; K543-S546 PolarHBondContact O-OG 3.44Å
547P71.2Confident77Confident104 Ų10462.5 Ų62.568%0.67532%0.323SS*.PPolyproline II helixtrans-57.3154.4175.824.8-34.3000111.4T549P547-T549 PolarHBondContact O-N 2.9Å
548P73.1Confident77.7Confident47 Ų4755.9 Ų55.931%0.30529%0.287SS..PPolyproline II helixtrans-60.5129.118028.2-35.5000110.4S612P548-S612 WeakPolarHBondContact CB-O 3.29Å
549T83.3Confident78.7Confident27 Ų2753.8 Ų53.817%0.16627%0.273CS..PPolyproline II helixtrans-86.3146.3177.763.80000110.5P547 H551 F552 T553P547-T549 PolarHBondContact O-N 2.9Å; T549-H551 PolarHBondContact O-N 3.16Å; T549-F552 WeakPolarHBondContact OG1-CD2 3.41Å; T549-F552 PolarHBondContact OG1-N 3.38Å; T549-T553 PolarHBondContact O-N 3.15Å; T549-T553 PolarHBondContact O-OG1 2.92Å
550Q86Confident79.8Confident73 Ų7353.8 Ų53.834%0.34127%0.272SS..Hα-helixtrans-60.5-33.6170.4-80.2-179.2-5.800110.9V536 T553 I554 A614 A615 L616V536-Q550 HydrophobicContact CG1-CB 3.48Å; V536-Q550 VanDerWaalsContact CG1-CB 3.48Å; Q550-T553 PolarHBondContact O-N 3.14Å; Q550-I554 VanDerWaalsContact O-CG1 3.31Å; Q550-I554 WeakPolarHBondContact O-CG1 3.44Å; Q550-I554 PolarHBondContact O-N 2.95Å; Q550-A614 HydrophobicContact CB-CB 4.44Å; Q550-A614 HydrophobicContact CG-CB 3.74Å; Q550-A615 PolarHBondContact NE2-O 3.06Å; Q550-L616 HydrophobicContact CB-CD2 4.42Å; Q550-L616 HydrophobicContact CG-CD2 4.44Å
551H87.2Confident81.1Confident2 Ų252 Ų521%0.00927%0.265CS..Hα-helixtrans-54.7-56.2177.7179.2-149000113.1L526 V527 V536 G539 T549 T553 I554 V555L526-H551 PolarHBondContact O-NE2 3.23Å; V527-H551 PolarHBondContact O-CE1 3.02Å; V527-H551 VanDerWaalsContact O-CE1 3.26Å; V527-H551 PolarHBondContact O-NE2 3.14Å; V536-H551 HydrophobicContact CG1-CB 4.41Å; G539-H551 PolarHBondContact N-ND1 2.9Å; T549-H551 PolarHBondContact O-N 3.16Å; H551-T553 VanDerWaalsContact C-N 3.3Å; H551-T553 PolarHBondContact O-N 3.49Å; H551-I554 PolarHBondContact O-N 3.31Å; H551-V555 PolarHBondContact O-N 2.86Å
552F87.6Confident82.4Confident30 Ų3042.9 Ų42.913%0.13223%0.229CC..Hα-helixtrans-71.3-26.1178-71.9-53.1000113.1P461 G539 T549 I554 V555 F556P461-F552 HydrophobicContact CB-CD1 4.26Å; P461-F552 HydrophobicContact CB-CE1 3.99Å; G539-F552 VanDerWaalsContact CA-CE2 3.44Å; G539-F552 VanDerWaalsContact O-CE2 3.24Å; G539-F552 WeakPolarHBondContact O-CE2 3.39Å; T549-F552 WeakPolarHBondContact OG1-CD2 3.41Å; T549-F552 PolarHBondContact OG1-N 3.38Å; F552-I554 VanDerWaalsContact C-N 3.35Å; F552-V555 PolarHBondContact O-N 3.3Å; F552-F556 WeakPolarHBondContact O-CB 3.2Å; F552-F556 PolarHBondContact O-N 3.38Å
553T90.2Very high83.7Confident1 Ų140.6 Ų40.61%0.00621%0.211CC..Hα-helixtrans-67.4-36.4174.2-52.20000111.7T549 Q550 H551 F556 N557 V604 T613 A614 L616T549-T553 PolarHBondContact O-N 3.15Å; T549-T553 PolarHBondContact O-OG1 2.92Å; Q550-T553 PolarHBondContact O-N 3.14Å; H551-T553 VanDerWaalsContact C-N 3.3Å; H551-T553 PolarHBondContact O-N 3.49Å; T553-F556 PolarHBondContact O-N 3.21Å; T553-N557 VanDerWaalsContact O-CB 3.27Å; T553-N557 WeakPolarHBondContact O-CB 3.35Å; T553-N557 PolarHBondContact O-N 3.18Å; T553-V604 HydrophobicContact CG2-CG1 4.07Å; T553-T613 HydrophobicContact CG2-CG2 4.02Å; T553-A614 VanDerWaalsContact CG2-O 3.3Å; T553-A614 WeakPolarHBondContact CG2-O 3.37Å; T553-A614 PolarHBondContact OG1-N 2.7Å; T553-L616 HydrophobicContact CG2-CD1 4.26Å; T553-L616 HydrophobicContact CG2-CD2 4.03Å; T553-L616 HydrophobicContact CG2-CG 4.05Å
554I91.8Very high85.2Confident3 Ų332.7 Ų32.72%0.01518%0.177CC..Hα-helixtrans-63.9-42.8172-68.6166.5000110.8L526 F534 Q550 H551 F552 N557 T558 L616 Q620L526-I554 HydrophobicContact CD1-CG2 4.44Å; L526-I554 HydrophobicContact CD2-CG2 4.26Å; F534-I554 HydrophobicContact CB-CD1 4.24Å; F534-I554 HydrophobicContact CD1-CD1 4.28Å; F534-I554 HydrophobicContact CD2-CD1 3.98Å; F534-I554 HydrophobicContact CD2-CG2 4.48Å; F534-I554 HydrophobicContact CE2-CD1 4.45Å; F534-I554 HydrophobicContact CE2-CG2 4.02Å; F534-I554 HydrophobicContact CG-CD1 3.9Å; F534-I554 HydrophobicContact CZ-CG2 4.32Å; Q550-I554 VanDerWaalsContact O-CG1 3.31Å; Q550-I554 WeakPolarHBondContact O-CG1 3.44Å; Q550-I554 PolarHBondContact O-N 2.95Å; H551-I554 PolarHBondContact O-N 3.31Å; F552-I554 VanDerWaalsContact C-N 3.35Å; I554-N557 PolarHBondContact O-N 2.83Å; I554-T558 VanDerWaalsContact O-CB 3.26Å; I554-T558 WeakPolarHBondContact O-CB 3.44Å; I554-T558 PolarHBondContact O-N 3.35Å; I554-T558 PolarHBondContact O-OG1 3.18Å; I554-L616 HydrophobicContact CD1-CD2 4.44Å; I554-L616 HydrophobicContact CG1-CD1 4.28Å; I554-L616 HydrophobicContact CG1-CD2 3.63Å; I554-Q620 HydrophobicContact CD1-CB 4.3Å; I554-Q620 HydrophobicContact CD1-CG 3.88Å; I554-Q620 HydrophobicContact CG1-CB 4.4Å; I554-Q620 HydrophobicContact CG1-CG 4.49Å
555V91.6Very high87Confident0 Ų027.2 Ų27.20%015%0.146CC..Hα-helixtrans-60-51176.6177.90000110.2L462 I523 L526 V527 H551 F552 T558 F559L462-V555 HydrophobicContact CD2-CG1 4.38Å; I523-V555 HydrophobicContact CD1-CG1 4.17Å; I523-V555 HydrophobicContact CG2-CG1 4.05Å; L526-V555 HydrophobicContact CB-CG2 3.9Å; V527-V555 HydrophobicContact CG2-CG1 3.88Å; V527-V555 HydrophobicContact CG2-CG2 3.93Å; H551-V555 PolarHBondContact O-N 2.86Å; F552-V555 PolarHBondContact O-N 3.3Å; V555-T558 PolarHBondContact O-N 3.24Å; V555-F559 WeakPolarHBondContact O-CB 3.41Å; V555-F559 PolarHBondContact O-N 3.48Å
556F92.3Very high88.5Confident1 Ų118.5 Ų18.50%0.00411%0.106CC..Hα-helixtrans-59.1-50.7177.2169.8-115.7000112.1L462 Q466 W469 V470 F552 T553 T558 F559 V560 I603 T613L462-F556 HydrophobicContact CD2-CB 4.02Å; L462-F556 HydrophobicContact CD2-CD2 4.26Å; Q466-F556 HydrophobicContact CB-CD2 3.6Å; Q466-F556 HydrophobicContact CB-CE2 3.57Å; Q466-F556 HydrophobicContact CB-CG 4.29Å; Q466-F556 HydrophobicContact CB-CZ 4.24Å; Q466-F556 HydrophobicContact CG-CD1 4.28Å; Q466-F556 HydrophobicContact CG-CD2 3.81Å; Q466-F556 HydrophobicContact CG-CE1 4.35Å; Q466-F556 HydrophobicContact CG-CE2 3.89Å; Q466-F556 HydrophobicContact CG-CG 4Å; Q466-F556 HydrophobicContact CG-CZ 4.16Å; W469-F556 AromaticContact CD1-CZ 3.66Å; W469-F556 HydrophobicContact CG-CZ 4.44Å; V470-F556 HydrophobicContact CG2-CE2 4.18Å; F552-F556 WeakPolarHBondContact O-CB 3.2Å; F552-F556 PolarHBondContact O-N 3.38Å; T553-F556 PolarHBondContact O-N 3.21Å; F556-T558 PolarHBondContact O-N 3.43Å; F556-F559 WeakPolarHBondContact O-CB 3.29Å; F556-F559 PolarHBondContact O-N 3.01Å; F556-V560 HydrophobicContact CD2-CG2 4.11Å; F556-V560 HydrophobicContact CE2-CG2 3.68Å; F556-V560 HydrophobicContact CZ-CG2 3.98Å; F556-V560 WeakPolarHBondContact O-CG2 3.34Å; F556-V560 PolarHBondContact O-N 3.41Å; F556-I603 HydrophobicContact CE1-CG2 4.23Å; F556-T613 HydrophobicContact CD1-CG2 4.13Å; F556-T613 HydrophobicContact CE1-CG2 4.23Å
557N93.9Very high89.7Confident0 Ų016.5 Ų16.50%09%0.092CC..Hα-helixtrans-64.6-40.1-177.6-167.844.5000112.3T553 I554 V560 L561 Q600 V604 L616 W621T553-N557 VanDerWaalsContact O-CB 3.27Å; T553-N557 WeakPolarHBondContact O-CB 3.35Å; T553-N557 PolarHBondContact O-N 3.18Å; I554-N557 PolarHBondContact O-N 2.83Å; N557-V560 PolarHBondContact O-N 3.19Å; N557-L561 VanDerWaalsContact O-CG 3.31Å; N557-L561 WeakPolarHBondContact O-CG 3.26Å; N557-L561 PolarHBondContact O-N 3.43Å; N557-Q600 WeakPolarHBondContact OD1-CG 3.39Å; N557-Q600 PolarHBondContact OD1-NE2 3.19Å; N557-V604 HydrophobicContact CB-CG2 4.18Å; N557-L616 HydrophobicContact CB-CD1 4.04Å; N557-W621 VanDerWaalsContact ND2-CE3 3.31Å; N557-W621 WeakPolarHBondContact ND2-CZ3 3.37Å; N557-W621 WeakPolarHBondContact OD1-CH2 3.24Å
558T94.3Very high90.7Very high0 Ų012.1 Ų12.10%06%0.063CC..Hα-helixtrans-66.4-40.2176.5-51.50000111.2V522 L526 I554 V555 F556 L561 M562 C624 L627V522-T558 HydrophobicContact CG1-CG2 4.04Å; L526-T558 HydrophobicContact CD1-CG2 3.8Å; I554-T558 VanDerWaalsContact O-CB 3.26Å; I554-T558 WeakPolarHBondContact O-CB 3.44Å; I554-T558 PolarHBondContact O-N 3.35Å; I554-T558 PolarHBondContact O-OG1 3.18Å; V555-T558 PolarHBondContact O-N 3.24Å; F556-T558 PolarHBondContact O-N 3.43Å; T558-L561 PolarHBondContact O-N 2.84Å; T558-M562 HydrophobicContact CG2-CE 4.11Å; T558-M562 HydrophobicContact CG2-CG 4.36Å; T558-M562 HydrophobicContact CG2-SD 4.34Å; T558-M562 WeakPolarHBondContact O-CB 3.37Å; T558-M562 WeakPolarHBondContact O-CG 3.14Å; T558-M562 PolarHBondContact O-N 3.48Å; T558-C624 PolarHBondContact OG1-SG 3.08Å; T558-L627 HydrophobicContact CG2-CB 3.63Å; T558-L627 HydrophobicContact CG2-CD1 3.87Å; T558-L627 HydrophobicContact CG2-CG 4.41Å
559F94.2Very high91.6Very high1 Ų110.3 Ų10.30%0.0045%0.051CC..Hα-helixtrans-57.3-51.5174.6-178.8-120.6000111.1V442 V445 A446 L462 V470 I523 V555 F556 L561 M562 T563V442-F559 HydrophobicContact CG1-CZ 4.18Å; V445-F559 HydrophobicContact CB-CE2 4.14Å; V445-F559 HydrophobicContact CG1-CD2 4.23Å; V445-F559 HydrophobicContact CG1-CE2 3.6Å; A446-F559 HydrophobicContact CB-CZ 4.49Å; L462-F559 HydrophobicContact CD1-CD1 4.06Å; L462-F559 HydrophobicContact CD1-CE1 4.23Å; V470-F559 HydrophobicContact CB-CE1 4.31Å; V470-F559 HydrophobicContact CG1-CE1 3.77Å; V470-F559 HydrophobicContact CG1-CZ 4.43Å; V470-F559 HydrophobicContact CG2-CD1 4.12Å; V470-F559 HydrophobicContact CG2-CE1 4.01Å; I523-F559 HydrophobicContact CD1-CB 3.78Å; I523-F559 HydrophobicContact CD1-CD2 4.35Å; I523-F559 HydrophobicContact CD1-CG 4.5Å; I523-F559 HydrophobicContact CG1-CD2 4.35Å; V555-F559 WeakPolarHBondContact O-CB 3.41Å; V555-F559 PolarHBondContact O-N 3.48Å; F556-F559 WeakPolarHBondContact O-CB 3.29Å; F556-F559 PolarHBondContact O-N 3.01Å; F559-L561 PolarHBondContact O-N 2.94Å; F559-M562 PolarHBondContact O-N 3.29Å; F559-T563 HydrophobicContact CD2-CG2 4.44Å; F559-T563 HydrophobicContact CE2-CG2 4.1Å; F559-T563 HydrophobicContact CZ-CG2 4.15Å; F559-T563 WeakPolarHBondContact O-CG2 3.41Å; F559-T563 PolarHBondContact O-N 2.73Å; F559-T563 PolarHBondContact O-OG1 3.5Å
560V93.9Very high91.9Very high4 Ų49 Ų92%0.0244%0.043CC..Hα-helixtrans-59.4-42.9177.51690000112.6V470 M474 F556 N557 T563 L564 Q600V470-V560 HydrophobicContact CG2-CG2 3.97Å; M474-V560 HydrophobicContact CE-CB 3.96Å; M474-V560 HydrophobicContact CE-CG1 3.27Å; M474-V560 HydrophobicContact CE-CG2 3.67Å; M474-V560 HydrophobicContact SD-CG1 4.04Å; F556-V560 HydrophobicContact CD2-CG2 4.11Å; F556-V560 HydrophobicContact CE2-CG2 3.68Å; F556-V560 HydrophobicContact CZ-CG2 3.98Å; F556-V560 WeakPolarHBondContact O-CG2 3.34Å; F556-V560 PolarHBondContact O-N 3.41Å; N557-V560 PolarHBondContact O-N 3.19Å; V560-T563 WeakPolarHBondContact CA-OG1 3.4Å; V560-T563 PolarHBondContact O-N 3.17Å; V560-T563 PolarHBondContact O-OG1 2.99Å; V560-L564 WeakPolarHBondContact O-CB 3.28Å; V560-L564 PolarHBondContact O-N 3.48Å; V560-Q600 HydrophobicContact CB-CG 4.34Å; V560-Q600 HydrophobicContact CG1-CB 4.23Å; V560-Q600 VanDerWaalsContact CG1-CD 3.44Å; V560-Q600 HydrophobicContact CG1-CG 3.65Å
561L94.9Very high92Very high0 Ų06 Ų60%03%0.028CC..Hα-helixtrans-67.9-41179.4-69.7173000111.2N557 T558 F559 T563 L564 F565 F597 W621 C624 L625N557-L561 VanDerWaalsContact O-CG 3.31Å; N557-L561 WeakPolarHBondContact O-CG 3.26Å; N557-L561 PolarHBondContact O-N 3.43Å; T558-L561 PolarHBondContact O-N 2.84Å; F559-L561 PolarHBondContact O-N 2.94Å; L561-T563 VanDerWaalsContact C-N 3.33Å; L561-T563 PolarHBondContact O-N 3.45Å; L561-L564 PolarHBondContact O-N 2.97Å; L561-F565 HydrophobicContact CB-CE2 4.47Å; L561-F565 WeakPolarHBondContact O-CD2 3.48Å; L561-F565 PolarHBondContact O-N 3.24Å; L561-F597 HydrophobicContact CD2-CD2 3.85Å; L561-F597 HydrophobicContact CD2-CE2 3.68Å; L561-W621 HydrophobicContact CD1-CE3 4.44Å; L561-W621 HydrophobicContact CD1-CZ3 4.17Å; L561-C624 HydrophobicContact CD1-CB 3.69Å; L561-L625 HydrophobicContact CD1-CD2 4.05Å; L561-L625 HydrophobicContact CD1-CG 4.18Å; L561-L625 HydrophobicContact CD2-CD2 4.19Å
562M95.2Very high92Very high0 Ų07.6 Ų7.60%04%0.035CC..Hα-helixtrans-61.4-39.2174-72.9-173.8-58.500112.2Y518 Q519 V522 I523 T558 F559 N566Y518-M562 HydrophobicContact CD1-SD 4.36Å; Y518-M562 HydrophobicContact CE1-SD 3.95Å; Q519-M562 HydrophobicContact CB-CE 4.19Å; Q519-M562 HydrophobicContact CB-SD 4.37Å; Q519-M562 HydrophobicContact CG-CB 4.14Å; Q519-M562 HydrophobicContact CG-CE 4.24Å; Q519-M562 HydrophobicContact CG-SD 4.02Å; V522-M562 HydrophobicContact CB-CE 4.3Å; V522-M562 HydrophobicContact CB-SD 3.91Å; V522-M562 HydrophobicContact CG1-CE 4.09Å; V522-M562 HydrophobicContact CG1-SD 3.8Å; V522-M562 HydrophobicContact CG2-SD 4.28Å; I523-M562 HydrophobicContact CD1-CE 3.55Å; I523-M562 HydrophobicContact CG1-CE 3.73Å; T558-M562 HydrophobicContact CG2-CE 4.11Å; T558-M562 HydrophobicContact CG2-CG 4.36Å; T558-M562 HydrophobicContact CG2-SD 4.34Å; T558-M562 WeakPolarHBondContact O-CB 3.37Å; T558-M562 WeakPolarHBondContact O-CG 3.14Å; T558-M562 PolarHBondContact O-N 3.48Å; F559-M562 PolarHBondContact O-N 3.29Å; M562-N566 WeakPolarHBondContact O-CB 3.17Å; M562-N566 PolarHBondContact O-N 3.05Å
563T92.6Very high91.8Very high1 Ų16.4 Ų6.41%0.0063%0.03CC..Hα-helixtrans-65.5-43.5175.158.10000111.2F438 V442 M474 F559 V560 L561 F565 N566 E567F438-T563 WeakPolarHBondContact CE2-O 3.45Å; V442-T563 HydrophobicContact CG1-CG2 4.19Å; V442-T563 HydrophobicContact CG2-CG2 3.76Å; M474-T563 PolarHBondContact SD-OG1 3.02Å; M474-T563 VanDerWaalsContact SD-OG1 3.36Å; F559-T563 HydrophobicContact CD2-CG2 4.44Å; F559-T563 HydrophobicContact CE2-CG2 4.1Å; F559-T563 HydrophobicContact CZ-CG2 4.15Å; F559-T563 WeakPolarHBondContact O-CG2 3.41Å; F559-T563 PolarHBondContact O-N 2.73Å; F559-T563 PolarHBondContact O-OG1 3.5Å; V560-T563 WeakPolarHBondContact CA-OG1 3.4Å; V560-T563 PolarHBondContact O-N 3.17Å; V560-T563 PolarHBondContact O-OG1 2.99Å; L561-T563 VanDerWaalsContact C-N 3.33Å; L561-T563 PolarHBondContact O-N 3.45Å; T563-F565 PolarHBondContact O-N 3.32Å; T563-N566 CarbonylContact O-C 3.58Å; T563-N566 WeakPolarHBondContact O-CB 3.44Å; T563-N566 PolarHBondContact O-N 3.49Å; T563-E567 PolarHBondContact O-N 3.27Å
564L93.5Very high91.2Very high13 Ų1310.1 Ų10.17%0.0685%0.047CC..Hα-helixtrans-60.8-43.9177.5-168.471.7000112.8V560 L561 E567 L593 T596 F597V560-L564 WeakPolarHBondContact O-CB 3.28Å; V560-L564 PolarHBondContact O-N 3.48Å; L561-L564 PolarHBondContact O-N 2.97Å; L564-E567 VanDerWaalsContact O-CB 3.27Å; L564-E567 WeakPolarHBondContact O-CB 3.38Å; L564-E567 PolarHBondContact O-N 2.87Å; L564-L593 HydrophobicContact CD1-CD1 3.49Å; L564-L593 VanDerWaalsContact CD1-CD1 3.49Å; L564-L593 HydrophobicContact CD1-CG 4.27Å; L564-L593 HydrophobicContact CG-CD1 3.82Å; L564-T596 WeakPolarHBondContact CD1-OG1 3.33Å; L564-F597 HydrophobicContact CD2-CB 3.91Å; L564-F597 HydrophobicContact CD2-CD2 3.92Å; L564-F597 HydrophobicContact CD2-CG 4.39Å
565F93.9Very high90.2Very high37 Ų3711.4 Ų11.416%0.1626%0.061CC..Hα-helixtrans-70.9-33.7175.3-73.3-69000112.4L561 T563 E567 I568 N569 G628 F629 L632L561-F565 HydrophobicContact CB-CE2 4.47Å; L561-F565 WeakPolarHBondContact O-CD2 3.48Å; L561-F565 PolarHBondContact O-N 3.24Å; T563-F565 PolarHBondContact O-N 3.32Å; F565-E567 VanDerWaalsContact C-N 3.27Å; F565-E567 PolarHBondContact O-N 3.31Å; F565-I568 HydrophobicContact CD1-CD1 4.2Å; F565-I568 WeakPolarHBondContact O-CB 3.46Å; F565-I568 PolarHBondContact O-N 3.34Å; F565-N569 PolarHBondContact O-N 3.04Å; F565-G628 WeakPolarHBondContact CB-O 3.17Å; F565-G628 VanDerWaalsContact CD2-O 3.31Å; F565-G628 WeakPolarHBondContact CD2-O 3.26Å; F565-F629 HydrophobicContact CE1-CD2 4.22Å; F565-F629 HydrophobicContact CZ-CB 4.46Å; F565-L632 HydrophobicContact CD1-CD1 4.49Å
566N91.9Very high89.7Confident1 Ų114.8 Ų14.81%0.0058%0.077CC..Hα-helixtrans-65.8-30.2172.8-174.748.5000112.2H515 M562 T563 I568 N569 A570 D631H515-N566 PolarHBondContact ND1-OD1 2.95Å; M562-N566 WeakPolarHBondContact O-CB 3.17Å; M562-N566 PolarHBondContact O-N 3.05Å; T563-N566 CarbonylContact O-C 3.58Å; T563-N566 WeakPolarHBondContact O-CB 3.44Å; T563-N566 PolarHBondContact O-N 3.49Å; N566-I568 PolarHBondContact O-N 2.88Å; N566-N569 CarbonylContact O-C 3.59Å; N566-N569 WeakPolarHBondContact O-CB 3.4Å; N566-N569 PolarHBondContact O-N 2.99Å; N566-N569 VanDerWaalsContact O-N 3.16Å; N566-A570 WeakPolarHBondContact O-CB 3.42Å; N566-A570 PolarHBondContact O-N 2.92Å; N566-D631 WeakPolarHBondContact CA-OD2 3.31Å; N566-D631 VanDerWaalsContact CB-OD2 3.24Å; N566-D631 WeakPolarHBondContact CB-OD2 3.4Å
567E92.2Very high89Confident1 Ų123.4 Ų23.41%0.00511%0.109CC..Hα-helixtrans-56.5-42.2172.5-167.5-172.8150.700111F438 A478 L482 T563 L564 F565 A570 R571 Y589F438-E567 HydrophobicContact CD2-CB 4.01Å; F438-E567 HydrophobicContact CD2-CG 4.3Å; F438-E567 HydrophobicContact CE2-CB 3.77Å; F438-E567 HydrophobicContact CE2-CG 4.21Å; A478-E567 HydrophobicContact CB-CG 4.23Å; L482-E567 HydrophobicContact CD1-CG 4.33Å; L482-E567 HydrophobicContact CD2-CG 4.36Å; L482-E567 HydrophobicContact CG-CG 4.36Å; T563-E567 PolarHBondContact O-N 3.27Å; L564-E567 VanDerWaalsContact O-CB 3.27Å; L564-E567 WeakPolarHBondContact O-CB 3.38Å; L564-E567 PolarHBondContact O-N 2.87Å; F565-E567 VanDerWaalsContact C-N 3.27Å; F565-E567 PolarHBondContact O-N 3.31Å; E567-A570 PolarHBondContact O-N 3.44Å; E567-R571 PolarHBondContact O-N 3.45Å; E567-Y589 HydrophobicContact CG-CE2 4.45Å; E567-Y589 VanDerWaalsContact OE1-CE2 3.31Å; E567-Y589 WeakPolarHBondContact OE1-CE2 3.35Å
568I92.1Very high88.4Confident13 Ų1327.6 Ų27.67%0.06713%0.132CC..Hα-helixtrans-61.2-49.3175.9-58.1172.4000109.7F565 N566 A570 R571 V579 F580 L583 L593 L632F565-I568 HydrophobicContact CD1-CD1 4.2Å; F565-I568 WeakPolarHBondContact O-CB 3.46Å; F565-I568 PolarHBondContact O-N 3.34Å; N566-I568 PolarHBondContact O-N 2.88Å; I568-A570 VanDerWaalsContact C-N 3.29Å; I568-A570 PolarHBondContact O-N 2.66Å; I568-R571 WeakPolarHBondContact O-CB 3.46Å; I568-R571 WeakPolarHBondContact O-CG 3.28Å; I568-R571 PolarHBondContact O-N 2.65Å; I568-V579 HydrophobicContact CG2-CG1 3.69Å; I568-V579 WeakPolarHBondContact O-CG1 3.46Å; I568-F580 HydrophobicContact CG2-CD1 4.35Å; I568-F580 HydrophobicContact CG2-CE1 4.18Å; I568-L583 HydrophobicContact CG2-CD1 4.42Å; I568-L593 HydrophobicContact CD1-CD2 4.14Å; I568-L593 HydrophobicContact CG1-CD1 4.25Å; I568-L593 HydrophobicContact CG1-CD2 4.24Å; I568-L632 HydrophobicContact CB-CD1 4.47Å; I568-L632 HydrophobicContact CD1-CD1 4.47Å; I568-L632 HydrophobicContact CG2-CD1 4.14Å
569N90.9Very high87.9Confident9 Ų928 Ų285%0.04813%0.134CC..Hα-helixtrans-57.6-39.2174.9-73.6-35.6000112.9H515 F565 N566 R571 K572 D631 L632H515-N569 PolarHBondContact CE1-ND2 3.21Å; F565-N569 PolarHBondContact O-N 3.04Å; N566-N569 CarbonylContact O-C 3.59Å; N566-N569 WeakPolarHBondContact O-CB 3.4Å; N566-N569 PolarHBondContact O-N 2.99Å; N566-N569 VanDerWaalsContact O-N 3.16Å; N569-R571 PolarHBondContact O-N 3.07Å; N569-K572 PolarHBondContact O-N 2.71Å; N569-D631 PolarHBondContact ND2-O 3.1Å; N569-D631 VanDerWaalsContact ND2-O 3.07Å; N569-D631 PolarHBondContact ND2-OD2 2.85Å; N569-L632 WeakPolarHBondContact ND2-CA 3.5Å
570A90Very high87.4Confident0 Ų032.8 Ų32.80%016%0.155CC..Hα-helixtrans-67-20.5-177.300000113.7K434 F438 N566 E567 I568 K572K434-A570 WeakPolarHBondContact CG-O 3.42Å; F438-A570 HydrophobicContact CB-CB 3.76Å; N566-A570 WeakPolarHBondContact O-CB 3.42Å; N566-A570 PolarHBondContact O-N 2.92Å; E567-A570 PolarHBondContact O-N 3.44Å; I568-A570 VanDerWaalsContact C-N 3.29Å; I568-A570 PolarHBondContact O-N 2.66Å; A570-K572 PolarHBondContact O-N 2.92Å
571R88.8Confident86.8Confident10 Ų1036.8 Ų36.84%0.03817%0.174CC..THydrogen-bonded Turntrans-58.9-28.3174.4-63.6179.867.5-144.86.1113.7K434 L482 E485 E567 I568 N569 G582 Y589K434-R571 WeakPolarHBondContact CD-O 3.4Å; K434-R571 WeakPolarHBondContact CE-O 3.16Å; L482-R571 HydrophobicContact CD2-CG 3.7Å; E485-R571 IonicContact OE1-CZ 3.47Å; E485-R571 VanDerWaalsContact OE1-CZ 3.28Å; E485-R571 IonicContact OE1-NE 3.25Å; E485-R571 PolarHBondContact OE1-NE 3.01Å; E485-R571 IonicContact OE1-NH2 2.69Å; E485-R571 PolarHBondContact OE1-NH2 3.17Å; E567-R571 PolarHBondContact O-N 3.45Å; I568-R571 WeakPolarHBondContact O-CB 3.46Å; I568-R571 WeakPolarHBondContact O-CG 3.28Å; I568-R571 PolarHBondContact O-N 2.65Å; N569-R571 PolarHBondContact O-N 3.07Å; R571-G582 PolarHBondContact NH2-O 3.34Å; R571-Y589 WeakPolarHBondContact CD-OH 3.27Å; R571-Y589 HydrophobicContact CG-CE2 4.23Å
572K86Confident86Confident35 Ų3538.6 Ų38.615%0.15219%0.192CC..  trans-114.692.7-176.8-62.3-57.8-178.2175.50111.4N569 A570 Q576 E581N569-K572 PolarHBondContact O-N 2.71Å; A570-K572 PolarHBondContact O-N 2.92Å; K572-Q576 HydrophobicContact CB-CB 4.18Å; K572-Q576 HydrophobicContact CD-CB 4.33Å; K572-Q576 HydrophobicContact CG-CB 4.29Å; K572-E581 WeakPolarHBondContact CE-O 3.39Å; K572-E581 PolarHBondContact NZ-O 2.74Å; K572-E581 IonicContact NZ-OE2 3.17Å
573I82.9Confident85.3Confident4 Ų439.4 Ų39.42%0.02120%0.197CC..THydrogen-bonded Turntrans-84.9-12.1-175.258.3170.8000115D430 A433 K434 Q437 M508D430-I573 HydrophobicContact CB-CD1 4.46Å; A433-I573 HydrophobicContact CB-CD1 3.59Å; K434-I573 HydrophobicContact CB-CG2 4.28Å; K434-I573 HydrophobicContact CG-CG2 3.72Å; Q437-I573 HydrophobicContact CB-CG2 4.48Å; M508-I573 HydrophobicContact CG-CB 4.31Å
574H78Confident84.8Confident80 Ų8050 Ų5037%0.3724%0.236SC..THydrogen-bonded Turntrans-98.413.1-174.2-62-42.7000114.1D430 R494 Y497 Q576D430-H574 IonicContact OD1-NE2 3.9Å; D430-H574 IonicContact OD2-NE2 3.09Å; R494-H574 PolarHBondContact NH1-CD2 2.7Å; R494-H574 PolarHBondContact NH1-NE2 3.3Å; Y497-H574 PolarHBondContact OH-CE1 3.06Å; Y497-H574 PolarHBondContact OH-NE2 2.94Å; H574-Q576 VanDerWaalsContact C-N 3.32Å; H574-Q576 VanDerWaalsContact N-OE1 3.13Å
575G72Confident84.2Confident30 Ų3056.4 Ų56.431%0.30926%0.26SS..  trans7326.3-176.500000112.9R577G575-R577 PolarHBondContact O-N 3.46Å
576Q80Confident83.6Confident71 Ų7155.2 Ų55.233%0.33226%0.255SS..  trans-61.6131.4167.1-58.9106.5-41.900108.9K572 H574K572-Q576 HydrophobicContact CB-CB 4.18Å; K572-Q576 HydrophobicContact CD-CB 4.33Å; K572-Q576 HydrophobicContact CG-CB 4.29Å; H574-Q576 VanDerWaalsContact C-N 3.32Å; H574-Q576 VanDerWaalsContact N-OE1 3.13Å
577R77.3Confident83.4Confident182 Ų18259.7 Ų59.769%0.68728%0.284SS*.SBendtrans-72.1-36.7179.2-70.1-171.9172.4-169.9-4.5112.4G575 V579 Q636G575-R577 PolarHBondContact O-N 3.46Å; R577-V579 PolarHBondContact O-N 2.92Å; R577-V579 VanDerWaalsContact O-N 3.16Å; R577-Q636 PolarHBondContact O-NE2 2.89Å; R577-Q636 PolarHBondContact O-OE1 3.49Å
578N82.8Confident83.3Confident88 Ų8863.5 Ų63.547%0.47130%0.304SS..  trans-83.194.2179.2-167.8-0.4000110.9F580 E581N578-F580 VanDerWaalsContact C-N 3.34Å; N578-F580 PolarHBondContact OD1-N 3.38Å; N578-E581 HydrophobicContact CB-CB 4.23Å; N578-E581 PolarHBondContact OD1-N 2.9Å
579V83.2Confident83.2Confident8 Ų862.9 Ų62.95%0.04830%0.301CS..THydrogen-bonded Turntrans-74.8-28179.1-1720000111.8I568 R577 E581I568-V579 HydrophobicContact CG2-CG1 3.69Å; I568-V579 WeakPolarHBondContact O-CG1 3.46Å; R577-V579 PolarHBondContact O-N 2.92Å; R577-V579 VanDerWaalsContact O-N 3.16Å; V579-E581 VanDerWaalsContact C-N 3.28Å; V579-E581 PolarHBondContact O-N 2.82Å
580F84.3Confident83.1Confident101 Ų10163.7 Ų63.744%0.44331%0.305SS..THydrogen-bonded Turntrans-79.4-8.4179.8-58.8-68.4000113.8I568 N578 G582 L583 L632I568-F580 HydrophobicContact CG2-CD1 4.35Å; I568-F580 HydrophobicContact CG2-CE1 4.18Å; N578-F580 VanDerWaalsContact C-N 3.34Å; N578-F580 PolarHBondContact OD1-N 3.38Å; F580-G582 PolarHBondContact O-N 3.03Å; F580-L583 HydrophobicContact CD1-CD2 4.32Å; F580-L583 WeakPolarHBondContact O-CB 3.45Å; F580-L583 PolarHBondContact O-N 2.87Å; F580-L632 HydrophobicContact CE1-CD1 3.91Å; F580-L632 HydrophobicContact CE2-CD1 4.5Å; F580-L632 HydrophobicContact CE2-CD2 4.11Å; F580-L632 HydrophobicContact CZ-CD1 3.54Å; F580-L632 HydrophobicContact CZ-CD2 3.78Å; F580-L632 HydrophobicContact CZ-CG 4.27Å
581E80.4Confident83.2Confident89 Ų8968 Ų6842%0.41633%0.334SS..THydrogen-bonded Turntrans-60.1114.7-180-176.4-179.6-154.700111.2K572 N578 V579K572-E581 WeakPolarHBondContact CE-O 3.39Å; K572-E581 PolarHBondContact NZ-O 2.74Å; K572-E581 IonicContact NZ-OE2 3.17Å; N578-E581 HydrophobicContact CB-CB 4.23Å; N578-E581 PolarHBondContact OD1-N 2.9Å; V579-E581 VanDerWaalsContact C-N 3.28Å; V579-E581 PolarHBondContact O-N 2.82Å
582G78.6Confident83.4Confident38 Ų3868.5 Ų68.539%0.39234%0.337SS..THydrogen-bonded Turntrans75.722.6179.500000114.2R571 F580 R585R571-G582 PolarHBondContact NH2-O 3.34Å; F580-G582 PolarHBondContact O-N 3.03Å; G582-R585 WeakPolarHBondContact O-CB 3.43Å; G582-R585 PolarHBondContact O-N 3.23Å
583L80.2Confident83.6Confident17 Ų1768 Ų689%0.08934%0.336CS..G310 helixtrans-53.7-58.2172.7-162.976.4000111.1I568 F580 R585 Y589I568-L583 HydrophobicContact CG2-CD1 4.42Å; F580-L583 HydrophobicContact CD1-CD2 4.32Å; F580-L583 WeakPolarHBondContact O-CB 3.45Å; F580-L583 PolarHBondContact O-N 2.87Å; L583-R585 PolarHBondContact O-N 2.99Å; L583-Y589 HydrophobicContact CD1-CD1 4.27Å; L583-Y589 HydrophobicContact CD1-CE1 3.54Å; L583-Y589 HydrophobicContact CG-CE1 4.36Å
584W82.1Confident84.1Confident222 Ų22272.5 Ų72.584%0.84136%0.359SS*.G310 helixtrans-78.320.4-177.3-56.7-56.4000115.8D590W584-D590 WeakPolarHBondContact CA-OD2 3.49Å
585R80.3Confident84.9Confident149 Ų14970.3 Ų70.356%0.56236%0.358SS*.G310 helixtrans-84.6-31.4179.3-171.9173.8177167.7-2.1112G582 L583G582-R585 WeakPolarHBondContact O-CB 3.43Å; G582-R585 PolarHBondContact O-N 3.23Å; L583-R585 PolarHBondContact O-N 2.99Å
586N82.5Confident85.8Confident12 Ų1269.5 Ų69.56%0.06435%0.347CS..  trans-115.1107.8-178.5-177.76.6000110.1T484 I588 Y589 D590T484-N586 PolarHBondContact O-ND2 2.88Å; T484-N586 PolarHBondContact OG1-ND2 3.43Å; T484-N586 VanDerWaalsContact OG1-ND2 3.14Å; N586-I588 PolarHBondContact O-N 3.11Å; N586-I588 WeakPolarHBondContact OD1-CB 3.27Å; N586-I588 PolarHBondContact OD1-N 2.83Å; N586-I588 VanDerWaalsContact OD1-N 3.08Å; N586-Y589 WeakPolarHBondContact O-CB 3.3Å; N586-Y589 PolarHBondContact O-N 3.02Å; N586-Y589 VanDerWaalsContact O-N 3.13Å; N586-D590 PolarHBondContact O-N 3.5Å
587P87.3Confident86.5Confident95 Ų9569.5 Ų69.562%0.61735%0.346SS*.Hα-helixtrans-63.7-23.8-179.126.9-35000113.1C591P587-C591 WeakPolarHBondContact O-CB 3.36Å; P587-C591 PolarHBondContact O-N 2.71Å
588I89.6Confident87.3Confident81 Ų8165 Ų6542%0.41534%0.335SS..Hα-helixtrans-66.8-43.6176.8-60.9172000110.2N586 C591 I592N586-I588 PolarHBondContact O-N 3.11Å; N586-I588 WeakPolarHBondContact OD1-CB 3.27Å; N586-I588 PolarHBondContact OD1-N 2.83Å; N586-I588 VanDerWaalsContact OD1-N 3.08Å; I588-C591 PolarHBondContact O-N 2.89Å; I588-I592 HydrophobicContact CG2-CD1 3.81Å; I588-I592 WeakPolarHBondContact O-CG1 3.26Å; I588-I592 PolarHBondContact O-N 2.78Å
589Y89.5Confident87.8Confident0 Ų062.2 Ų62.20%032%0.324CS..Hα-helixtrans-61.1-49.9178.1178-89.6000110.8A481 L482 E567 R571 L583 N586 C591 I592 L593A481-Y589 HydrophobicContact CB-CD2 3.64Å; A481-Y589 HydrophobicContact CB-CE2 4.13Å; A481-Y589 HydrophobicContact CB-CG 4.49Å; L482-Y589 HydrophobicContact CD2-CE2 4.18Å; E567-Y589 HydrophobicContact CG-CE2 4.45Å; E567-Y589 VanDerWaalsContact OE1-CE2 3.31Å; E567-Y589 WeakPolarHBondContact OE1-CE2 3.35Å; R571-Y589 WeakPolarHBondContact CD-OH 3.27Å; R571-Y589 HydrophobicContact CG-CE2 4.23Å; L583-Y589 HydrophobicContact CD1-CD1 4.27Å; L583-Y589 HydrophobicContact CD1-CE1 3.54Å; L583-Y589 HydrophobicContact CG-CE1 4.36Å; N586-Y589 WeakPolarHBondContact O-CB 3.3Å; N586-Y589 PolarHBondContact O-N 3.02Å; N586-Y589 VanDerWaalsContact O-N 3.13Å; Y589-C591 VanDerWaalsContact C-N 3.33Å; Y589-C591 PolarHBondContact O-N 2.93Å; Y589-I592 PolarHBondContact O-N 3.26Å; Y589-L593 HydrophobicContact CE1-CB 4.48Å; Y589-L593 HydrophobicContact CE1-CD2 4.14Å; Y589-L593 WeakPolarHBondContact O-CB 3.41Å; Y589-L593 PolarHBondContact O-N 2.86Å
590D89.5Confident88.3Confident26 Ų2661.9 Ų61.914%0.13932%0.322CS..Hα-helixtrans-62.5-40.9180-62-38.4000112W584 N586 I592 L593 I594W584-D590 WeakPolarHBondContact CA-OD2 3.49Å; N586-D590 PolarHBondContact O-N 3.5Å; D590-I592 PolarHBondContact O-N 2.82Å; D590-L593 PolarHBondContact O-N 2.69Å; D590-I594 WeakPolarHBondContact O-CB 3.17Å; D590-I594 VanDerWaalsContact O-CG1 3.26Å; D590-I594 WeakPolarHBondContact O-CG1 3.15Å; D590-I594 PolarHBondContact O-N 3.23Å
591C92.4Very high88.7Confident91 Ų9159.5 Ų59.562%0.61532%0.315SS*.Hα-helixtrans-61.8-43.2177.2-1750000111.7P587 I588 Y589 G595P587-C591 WeakPolarHBondContact O-CB 3.36Å; P587-C591 PolarHBondContact O-N 2.71Å; I588-C591 PolarHBondContact O-N 2.89Å; Y589-C591 VanDerWaalsContact C-N 3.33Å; Y589-C591 PolarHBondContact O-N 2.93Å; C591-G595 WeakPolarHBondContact O-CA 3.44Å; C591-G595 PolarHBondContact O-N 3.06Å
592I91.7Very high89.3Confident20 Ų2059.6 Ų59.610%0.10332%0.318CS..Hα-helixtrans-66.6-49.4177.9-71.4167.3000110.5F477 L480 A481 I588 Y589 D590 I594 G595 T596F477-I592 HydrophobicContact CB-CG2 3.8Å; L480-I592 HydrophobicContact CB-CD1 4.36Å; L480-I592 HydrophobicContact CD2-CD1 4.23Å; L480-I592 HydrophobicContact CG-CD1 4.27Å; A481-I592 HydrophobicContact CB-CB 4.05Å; A481-I592 HydrophobicContact CB-CD1 3.75Å; A481-I592 HydrophobicContact CB-CG2 3.9Å; I588-I592 HydrophobicContact CG2-CD1 3.81Å; I588-I592 WeakPolarHBondContact O-CG1 3.26Å; I588-I592 PolarHBondContact O-N 2.78Å; Y589-I592 PolarHBondContact O-N 3.26Å; D590-I592 PolarHBondContact O-N 2.82Å; I592-I594 PolarHBondContact O-N 2.88Å; I592-G595 PolarHBondContact O-N 3.15Å; I592-T596 HydrophobicContact CG2-CG2 4.26Å; I592-T596 WeakPolarHBondContact O-CG2 3.44Å; I592-T596 PolarHBondContact O-N 2.86Å; I592-T596 PolarHBondContact O-OG1 2.97Å
593L91.6Very high89.9Confident23 Ų2358.5 Ų58.512%0.1230%0.304CS..Hα-helixtrans-60.8-45.2-178.2-171.179.7000112.2L564 I568 Y589 D590 T596 F597L564-L593 HydrophobicContact CD1-CD1 3.49Å; L564-L593 VanDerWaalsContact CD1-CD1 3.49Å; L564-L593 HydrophobicContact CD1-CG 4.27Å; L564-L593 HydrophobicContact CG-CD1 3.82Å; I568-L593 HydrophobicContact CD1-CD2 4.14Å; I568-L593 HydrophobicContact CG1-CD1 4.25Å; I568-L593 HydrophobicContact CG1-CD2 4.24Å; Y589-L593 HydrophobicContact CE1-CB 4.48Å; Y589-L593 HydrophobicContact CE1-CD2 4.14Å; Y589-L593 WeakPolarHBondContact O-CB 3.41Å; Y589-L593 PolarHBondContact O-N 2.86Å; D590-L593 PolarHBondContact O-N 2.69Å; L593-T596 PolarHBondContact O-OG1 3.27Å; L593-F597 PolarHBondContact O-N 3.41Å
594I92.9Very high90.4Very high100 Ų10057.8 Ų57.851%0.51330%0.3SS..Hα-helixtrans-71.5-39.9177.9-65169.1000110.2D590 I592 F597 I598D590-I594 WeakPolarHBondContact O-CB 3.17Å; D590-I594 VanDerWaalsContact O-CG1 3.26Å; D590-I594 WeakPolarHBondContact O-CG1 3.15Å; D590-I594 PolarHBondContact O-N 3.23Å; I592-I594 PolarHBondContact O-N 2.88Å; I594-F597 WeakPolarHBondContact O-CB 3.16Å; I594-F597 PolarHBondContact O-N 3.39Å; I594-I598 HydrophobicContact CG2-CD1 3.75Å; I594-I598 HydrophobicContact CG2-CG1 4.36Å; I594-I598 VanDerWaalsContact O-CG1 3.32Å; I594-I598 WeakPolarHBondContact O-CG1 3.22Å; I594-I598 PolarHBondContact O-N 3.23Å
595G93.9Very high90.9Very high34 Ų3451 Ų5135%0.35128%0.277SS..Hα-helixtrans-63.2-43.7179.300000112.9C591 I592 I598 A599C591-G595 WeakPolarHBondContact O-CA 3.44Å; C591-G595 PolarHBondContact O-N 3.06Å; I592-G595 PolarHBondContact O-N 3.15Å; G595-I598 PolarHBondContact O-N 3.39Å; G595-A599 VanDerWaalsContact O-CB 3.3Å; G595-A599 WeakPolarHBondContact O-CB 3.3Å; G595-A599 PolarHBondContact O-N 2.87Å
596T92Very high91.3Very high13 Ų1351.5 Ų51.58%0.0828%0.284CS..Hα-helixtrans-66-38.7175.753.20000111.4F477 L564 I592 L593 A599 Q600F477-T596 HydrophobicContact CB-CG2 4.47Å; L564-T596 WeakPolarHBondContact CD1-OG1 3.33Å; I592-T596 HydrophobicContact CG2-CG2 4.26Å; I592-T596 WeakPolarHBondContact O-CG2 3.44Å; I592-T596 PolarHBondContact O-N 2.86Å; I592-T596 PolarHBondContact O-OG1 2.97Å; L593-T596 PolarHBondContact O-OG1 3.27Å; T596-A599 PolarHBondContact O-N 3Å; T596-Q600 WeakPolarHBondContact O-CB 3.44Å; T596-Q600 PolarHBondContact O-N 3.47Å
597F94Very high91.4Very high70 Ų7051.4 Ų51.431%0.30729%0.286SS..Hα-helixtrans-61.2-48.9173.5-176.1-101.9000112.3L561 L564 L593 I594 A599 Q600 V601 L625L561-F597 HydrophobicContact CD2-CD2 3.85Å; L561-F597 HydrophobicContact CD2-CE2 3.68Å; L564-F597 HydrophobicContact CD2-CB 3.91Å; L564-F597 HydrophobicContact CD2-CD2 3.92Å; L564-F597 HydrophobicContact CD2-CG 4.39Å; L593-F597 PolarHBondContact O-N 3.41Å; I594-F597 WeakPolarHBondContact O-CB 3.16Å; I594-F597 PolarHBondContact O-N 3.39Å; F597-A599 PolarHBondContact O-N 3.35Å; F597-Q600 WeakPolarHBondContact O-CB 3.41Å; F597-Q600 PolarHBondContact O-N 3.13Å; F597-V601 HydrophobicContact CE1-CG2 4.18Å; F597-V601 HydrophobicContact CZ-CG2 4.35Å; F597-V601 WeakPolarHBondContact O-CG2 3.38Å; F597-V601 PolarHBondContact O-N 3.16Å; F597-L625 HydrophobicContact CE2-CD2 3.79Å; F597-L625 HydrophobicContact CZ-CD2 4.1Å
598I95Very high91Very high89 Ų8948.2 Ų48.246%0.45627%0.27SS..Hα-helixtrans-62.6-44.5177.6-67.7168.6000110.5I594 G595 Q600 V601 L602I594-I598 HydrophobicContact CG2-CD1 3.75Å; I594-I598 HydrophobicContact CG2-CG1 4.36Å; I594-I598 VanDerWaalsContact O-CG1 3.32Å; I594-I598 WeakPolarHBondContact O-CG1 3.22Å; I594-I598 PolarHBondContact O-N 3.23Å; G595-I598 PolarHBondContact O-N 3.39Å; I598-Q600 VanDerWaalsContact C-N 3.29Å; I598-Q600 PolarHBondContact O-N 2.92Å; I598-V601 PolarHBondContact O-N 3.44Å; I598-L602 HydrophobicContact CG2-CD1 4.24Å; I598-L602 WeakPolarHBondContact O-CG 3.31Å; I598-L602 PolarHBondContact O-N 3.18Å
599A93.4Very high90.5Very high28 Ų2852.9 Ų52.923%0.23129%0.288CS..Hα-helixtrans-59.2-41.4176.800000111.6W469 G595 T596 F597 V601 L602 I603W469-A599 HydrophobicContact CH2-CB 3.94Å; W469-A599 HydrophobicContact CZ2-CB 4.07Å; G595-A599 VanDerWaalsContact O-CB 3.3Å; G595-A599 WeakPolarHBondContact O-CB 3.3Å; G595-A599 PolarHBondContact O-N 2.87Å; T596-A599 PolarHBondContact O-N 3Å; F597-A599 PolarHBondContact O-N 3.35Å; A599-V601 PolarHBondContact O-N 3.01Å; A599-L602 PolarHBondContact O-N 3.09Å; A599-I603 WeakPolarHBondContact O-CB 3.15Å; A599-I603 VanDerWaalsContact O-CG1 3.24Å; A599-I603 WeakPolarHBondContact O-CG1 3.3Å; A599-I603 PolarHBondContact O-N 3.24Å
600Q93.2Very high90.1Very high1 Ų160.2 Ų60.21%0.00532%0.32CS..Hα-helixtrans-62.3-42.3176-176.463.913.300112N557 V560 T596 F597 I598 L602 I603 V604 W621N557-Q600 WeakPolarHBondContact OD1-CG 3.39Å; N557-Q600 PolarHBondContact OD1-NE2 3.19Å; V560-Q600 HydrophobicContact CB-CG 4.34Å; V560-Q600 HydrophobicContact CG1-CB 4.23Å; V560-Q600 VanDerWaalsContact CG1-CD 3.44Å; V560-Q600 HydrophobicContact CG1-CG 3.65Å; T596-Q600 WeakPolarHBondContact O-CB 3.44Å; T596-Q600 PolarHBondContact O-N 3.47Å; F597-Q600 WeakPolarHBondContact O-CB 3.41Å; F597-Q600 PolarHBondContact O-N 3.13Å; I598-Q600 VanDerWaalsContact C-N 3.29Å; I598-Q600 PolarHBondContact O-N 2.92Å; Q600-L602 VanDerWaalsContact C-N 3.32Å; Q600-L602 PolarHBondContact O-N 3.42Å; Q600-I603 PolarHBondContact O-N 3.01Å; Q600-V604 HydrophobicContact CG-CG2 4.48Å; Q600-V604 WeakPolarHBondContact O-CB 3.13Å; Q600-V604 WeakPolarHBondContact O-CG2 2.98Å; Q600-V604 PolarHBondContact O-N 2.91Å; Q600-W621 HydrophobicContact CG-CH2 4.42Å
601V93.3Very high89.8Confident51 Ų5161 Ų6131%0.30932%0.322SS..Hα-helixtrans-59.7-44.5174.7175.30000110.9F597 I598 A599 Q605 W621F597-V601 HydrophobicContact CE1-CG2 4.18Å; F597-V601 HydrophobicContact CZ-CG2 4.35Å; F597-V601 WeakPolarHBondContact O-CG2 3.38Å; F597-V601 PolarHBondContact O-N 3.16Å; I598-V601 PolarHBondContact O-N 3.44Å; A599-V601 PolarHBondContact O-N 3.01Å; V601-Q605 VanDerWaalsContact O-CB 3.26Å; V601-Q605 WeakPolarHBondContact O-CB 3.06Å; V601-Q605 PolarHBondContact O-N 2.81Å; V601-W621 HydrophobicContact CB-CH2 4.22Å; V601-W621 HydrophobicContact CB-CZ2 4.34Å; V601-W621 HydrophobicContact CG1-CZ2 4.46Å; V601-W621 HydrophobicContact CG2-CH2 3.66Å; V601-W621 HydrophobicContact CG2-CZ2 4.13Å; V601-W621 HydrophobicContact CG2-CZ3 4.13Å
602L93.1Very high89.3Confident91 Ų9158.5 Ų58.548%0.47631%0.306SS..Hα-helixtrans-65.8-41.3178.1-65.8175.6000112.5I598 A599 Q600 F606 G607I598-L602 HydrophobicContact CG2-CD1 4.24Å; I598-L602 WeakPolarHBondContact O-CG 3.31Å; I598-L602 PolarHBondContact O-N 3.18Å; A599-L602 PolarHBondContact O-N 3.09Å; Q600-L602 VanDerWaalsContact C-N 3.32Å; Q600-L602 PolarHBondContact O-N 3.42Å; L602-F606 HydrophobicContact CD2-CD2 3.9Å; L602-F606 HydrophobicContact CD2-CE2 4.01Å; L602-F606 WeakPolarHBondContact O-CA 3.2Å; L602-F606 WeakPolarHBondContact O-CB 3.48Å; L602-F606 PolarHBondContact O-N 3.3Å; L602-G607 PolarHBondContact O-N 3.05Å
603I90.7Very high89Confident16 Ų1657.8 Ų57.88%0.08230%0.302CS..Hα-helixtrans-64.9-42.2178.6-73166.5000111.3W469 F556 A599 Q600 G607 F611 T613W469-I603 HydrophobicContact CD2-CD1 3.69Å; W469-I603 VanDerWaalsContact CE2-CD1 3.41Å; W469-I603 HydrophobicContact CE3-CD1 3.84Å; W469-I603 HydrophobicContact CG-CD1 4.46Å; W469-I603 HydrophobicContact CH2-CD1 3.61Å; W469-I603 HydrophobicContact CZ2-CD1 3.39Å; W469-I603 HydrophobicContact CZ3-CD1 3.8Å; F556-I603 HydrophobicContact CE1-CG2 4.23Å; A599-I603 WeakPolarHBondContact O-CB 3.15Å; A599-I603 VanDerWaalsContact O-CG1 3.24Å; A599-I603 WeakPolarHBondContact O-CG1 3.3Å; A599-I603 PolarHBondContact O-N 3.24Å; Q600-I603 PolarHBondContact O-N 3.01Å; I603-G607 WeakPolarHBondContact O-CA 3.27Å; I603-G607 PolarHBondContact O-N 2.85Å; I603-F611 HydrophobicContact CB-CD2 4.43Å; I603-F611 HydrophobicContact CD1-CE2 4.2Å; I603-F611 HydrophobicContact CD1-CZ 4.08Å; I603-F611 HydrophobicContact CG1-CD2 4.17Å; I603-F611 HydrophobicContact CG1-CE2 3.89Å; I603-F611 HydrophobicContact CG1-CZ 4.28Å; I603-F611 HydrophobicContact CG2-CB 3.93Å; I603-F611 HydrophobicContact CG2-CD1 4.02Å; I603-F611 HydrophobicContact CG2-CD2 3.66Å; I603-F611 HydrophobicContact CG2-CE2 4.16Å; I603-F611 HydrophobicContact CG2-CG 3.57Å; I603-T613 PolarHBondContact O-OG1 3.32Å
604V91.3Very high88.8Confident1 Ų157.4 Ų57.41%0.00630%0.303CS..Hα-helixtrans-73.9-38.6-179.3169.90000111.4T553 N557 Q600 L616 W621T553-V604 HydrophobicContact CG2-CG1 4.07Å; N557-V604 HydrophobicContact CB-CG2 4.18Å; Q600-V604 HydrophobicContact CG-CG2 4.48Å; Q600-V604 WeakPolarHBondContact O-CB 3.13Å; Q600-V604 WeakPolarHBondContact O-CG2 2.98Å; Q600-V604 PolarHBondContact O-N 2.91Å; V604-L616 HydrophobicContact CG1-CB 4.22Å; V604-L616 HydrophobicContact CG1-CD1 3.7Å; V604-L616 HydrophobicContact CG1-CG 3.67Å; V604-W621 HydrophobicContact CB-CH2 4.36Å; V604-W621 HydrophobicContact CB-CZ2 3.71Å; V604-W621 HydrophobicContact CG1-CZ2 3.68Å; V604-W621 HydrophobicContact CG2-CH2 4.44Å; V604-W621 HydrophobicContact CG2-CZ2 4.23Å
605Q91.1Very high88.6Confident80 Ų8054.8 Ų54.837%0.37430%0.296SS..Hα-helixtrans-83.1-36.8-176.4-167.661.336.400113.7V601V601-Q605 VanDerWaalsContact O-CB 3.26Å; V601-Q605 WeakPolarHBondContact O-CB 3.06Å; V601-Q605 PolarHBondContact O-N 2.81Å
606F89.8Confident88.4Confident160 Ų16053.7 Ų53.770%0.70228%0.282SS*.Hα-helixtrans-122.8-12.2-172.7-55.1-71.5000113.8L602 G608L602-F606 HydrophobicContact CD2-CD2 3.9Å; L602-F606 HydrophobicContact CD2-CE2 4.01Å; L602-F606 WeakPolarHBondContact O-CA 3.2Å; L602-F606 WeakPolarHBondContact O-CB 3.48Å; L602-F606 PolarHBondContact O-N 3.3Å; F606-G608 PolarHBondContact O-N 2.57Å
607G83.8Confident88.3Confident10 Ų1055.5 Ų55.510%0.10330%0.295CS..THydrogen-bonded Turntrans-80.410.7-175.200000115.5L602 I603 F609 F610 F611L602-G607 PolarHBondContact O-N 3.05Å; I603-G607 WeakPolarHBondContact O-CA 3.27Å; I603-G607 PolarHBondContact O-N 2.85Å; G607-F609 VanDerWaalsContact C-N 3.25Å; G607-F609 PolarHBondContact O-N 3.49Å; G607-F609 VanDerWaalsContact O-N 3.11Å; G607-F610 PolarHBondContact O-N 3.16Å; G607-F610 VanDerWaalsContact O-N 3.1Å; G607-F611 PolarHBondContact O-N 3.42Å
608G79Confident88.1Confident28 Ų2857.7 Ų57.729%0.28931%0.314SS..Hα-helixtrans-55.9-34.3-170.600000115.2F606 S612 T613F606-G608 PolarHBondContact O-N 2.57Å; G608-S612 VanDerWaalsContact O-CA 3.28Å; G608-S612 WeakPolarHBondContact O-CA 3.36Å; G608-S612 PolarHBondContact O-N 3.34Å; G608-T613 WeakPolarHBondContact CA-O 3.24Å; G608-T613 PolarHBondContact N-OG1 3.25Å
609F78.6Confident88Confident179 Ų17959.7 Ų59.779%0.78532%0.322SS*.Hα-helixtrans-68.1-45.6177.4-177.1-99.5000112.9G607G607-F609 VanDerWaalsContact C-N 3.25Å; G607-F609 PolarHBondContact O-N 3.49Å; G607-F609 VanDerWaalsContact O-N 3.11Å
610F82.3Confident87.9Confident154 Ų15459 Ų5968%0.67531%0.314SS*.Hα-helixtrans-87.8-43.7-174.7-73.8-75.6000112.8G607G607-F610 PolarHBondContact O-N 3.16Å; G607-F610 VanDerWaalsContact O-N 3.1Å
611F82.1Confident87.9Confident41 Ų4160.4 Ų60.418%0.1832%0.319CS..Hα-helixtrans-95.6-1.6-173.6-71.7-83.9000113.6V465 Q466 W469 I603 G607 T613V465-F611 HydrophobicContact CG1-CD1 3.77Å; V465-F611 HydrophobicContact CG1-CE1 3.93Å; V465-F611 HydrophobicContact CG1-CG 4.5Å; Q466-F611 PolarHBondContact NE2-O 3.09Å; W469-F611 HydrophobicContact CB-CE1 3.94Å; W469-F611 HydrophobicContact CE3-CE1 4.47Å; W469-F611 HydrophobicContact CE3-CZ 4.34Å; W469-F611 HydrophobicContact CG-CE1 4.31Å; I603-F611 HydrophobicContact CB-CD2 4.43Å; I603-F611 HydrophobicContact CD1-CE2 4.2Å; I603-F611 HydrophobicContact CD1-CZ 4.08Å; I603-F611 HydrophobicContact CG1-CD2 4.17Å; I603-F611 HydrophobicContact CG1-CE2 3.89Å; I603-F611 HydrophobicContact CG1-CZ 4.28Å; I603-F611 HydrophobicContact CG2-CB 3.93Å; I603-F611 HydrophobicContact CG2-CD1 4.02Å; I603-F611 HydrophobicContact CG2-CD2 3.66Å; I603-F611 HydrophobicContact CG2-CE2 4.16Å; I603-F611 HydrophobicContact CG2-CG 3.57Å; G607-F611 PolarHBondContact O-N 3.42Å; F611-T613 HydrophobicContact CB-CG2 3.88Å; F611-T613 PolarHBondContact O-N 2.62Å
612S81.8Confident87.9Confident39 Ų3963.1 Ų63.127%0.27333%0.331SS..  trans49.749.9-172.7-70.80000111.3K463 P548 G608K463-S612 PolarHBondContact NZ-OG 2.7Å; K463-S612 VanDerWaalsContact NZ-OG 3.14Å; P548-S612 WeakPolarHBondContact CB-O 3.29Å; G608-S612 VanDerWaalsContact O-CA 3.28Å; G608-S612 WeakPolarHBondContact O-CA 3.36Å; G608-S612 PolarHBondContact O-N 3.34Å
613T86.5Confident87.9Confident5 Ų564.1 Ų64.13%0.03133%0.329CS..  trans-104.1145.2175.747.40000110T553 F556 I603 G608 F611T553-T613 HydrophobicContact CG2-CG2 4.02Å; F556-T613 HydrophobicContact CD1-CG2 4.13Å; F556-T613 HydrophobicContact CE1-CG2 4.23Å; I603-T613 PolarHBondContact O-OG1 3.32Å; G608-T613 WeakPolarHBondContact CA-O 3.24Å; G608-T613 PolarHBondContact N-OG1 3.25Å; F611-T613 HydrophobicContact CB-CG2 3.88Å; F611-T613 PolarHBondContact O-N 2.62Å
614A86.7Confident88Confident16 Ų1663.4 Ų63.413%0.13233%0.325CS..PPolyproline II helixtrans-101.5136.8168.300000109.2Q550 T553 L616Q550-A614 HydrophobicContact CB-CB 4.44Å; Q550-A614 HydrophobicContact CG-CB 3.74Å; T553-A614 VanDerWaalsContact CG2-O 3.3Å; T553-A614 WeakPolarHBondContact CG2-O 3.37Å; T553-A614 PolarHBondContact OG1-N 2.7Å; A614-L616 PolarHBondContact O-N 3.48Å
615A88.8Confident88.2Confident45 Ų4565.8 Ų65.837%0.37234%0.337SS..PPolyproline II helixtrans-56130.5175.900000110.3Q550Q550-A615 PolarHBondContact NE2-O 3.06Å
616L90Very high88.4Confident10 Ų1068.2 Ų68.25%0.05235%0.347CS..PPolyproline II helixtrans-94.3146.5-179-62.4-177.8000110.6Q550 T553 I554 N557 V604 A614 Q620Q550-L616 HydrophobicContact CB-CD2 4.42Å; Q550-L616 HydrophobicContact CG-CD2 4.44Å; T553-L616 HydrophobicContact CG2-CD1 4.26Å; T553-L616 HydrophobicContact CG2-CD2 4.03Å; T553-L616 HydrophobicContact CG2-CG 4.05Å; I554-L616 HydrophobicContact CD1-CD2 4.44Å; I554-L616 HydrophobicContact CG1-CD1 4.28Å; I554-L616 HydrophobicContact CG1-CD2 3.63Å; N557-L616 HydrophobicContact CB-CD1 4.04Å; V604-L616 HydrophobicContact CG1-CB 4.22Å; V604-L616 HydrophobicContact CG1-CD1 3.7Å; V604-L616 HydrophobicContact CG1-CG 3.67Å; A614-L616 PolarHBondContact O-N 3.48Å; L616-Q620 VanDerWaalsContact CA-OE1 3.31Å; L616-Q620 HydrophobicContact CB-CB 4.15Å
617S90.3Very high88.6Confident51 Ų5162.1 Ų62.136%0.35732%0.322SS..PPolyproline II helixtrans-70.2162171.275.40000111.3E619 Q620 W621S617-E619 PolarHBondContact O-N 3.41Å; S617-Q620 PolarHBondContact O-N 2.78Å; S617-Q620 WeakPolarHBondContact OG-CG 3.18Å; S617-Q620 PolarHBondContact OG-N 2.89Å; S617-W621 PolarHBondContact O-N 3Å
618V90.4Very high89.1Confident116 Ų11661.7 Ų61.770%0.70332%0.317SS*.Hα-helixtrans-59.3-38.1175.7178.60000110.9W621 L622V618-W621 WeakPolarHBondContact O-CB 3.39Å; V618-W621 PolarHBondContact O-N 2.9Å; V618-L622 HydrophobicContact CG1-CD1 4.34Å; V618-L622 WeakPolarHBondContact O-CG 3.24Å; V618-L622 PolarHBondContact O-N 3.01Å
619E92.2Very high89.8Confident132 Ų13264.7 Ų64.762%0.61732%0.322SS*.Hα-helixtrans-62.9-46.5176.4-175.9178.9178.900111.9S617 W621 L622 W623S617-E619 PolarHBondContact O-N 3.41Å; E619-W621 VanDerWaalsContact C-N 3.31Å; E619-W621 PolarHBondContact O-N 3.32Å; E619-L622 PolarHBondContact O-N 3.49Å; E619-W623 VanDerWaalsContact O-CD1 3.23Å; E619-W623 PolarHBondContact O-N 2.92Å
620Q90.6Very high90.5Very high14 Ų1456.8 Ų56.87%0.06529%0.291CS..Hα-helixtrans-60.6-41.6176.5-71167.1-11.800111.1F534 I554 L616 S617 W623 C624F534-Q620 HydrophobicContact CD1-CG 4.17Å; I554-Q620 HydrophobicContact CD1-CB 4.3Å; I554-Q620 HydrophobicContact CD1-CG 3.88Å; I554-Q620 HydrophobicContact CG1-CB 4.4Å; I554-Q620 HydrophobicContact CG1-CG 4.49Å; L616-Q620 VanDerWaalsContact CA-OE1 3.31Å; L616-Q620 HydrophobicContact CB-CB 4.15Å; S617-Q620 PolarHBondContact O-N 2.78Å; S617-Q620 WeakPolarHBondContact OG-CG 3.18Å; S617-Q620 PolarHBondContact OG-N 2.89Å; Q620-W623 PolarHBondContact O-N 2.84Å; Q620-C624 PolarHBondContact O-N 3.12Å; Q620-C624 PolarHBondContact O-SG 3.41Å
621W93.2Very high91Very high29 Ų2949.5 Ų49.511%0.1126%0.259CS..Hα-helixtrans-60.1-43.8173.7-93.8105.7000113.2N557 L561 Q600 V601 V604 S617 V618 E619 W623 C624 L625N557-W621 VanDerWaalsContact ND2-CE3 3.31Å; N557-W621 WeakPolarHBondContact ND2-CZ3 3.37Å; N557-W621 WeakPolarHBondContact OD1-CH2 3.24Å; L561-W621 HydrophobicContact CD1-CE3 4.44Å; L561-W621 HydrophobicContact CD1-CZ3 4.17Å; Q600-W621 HydrophobicContact CG-CH2 4.42Å; V601-W621 HydrophobicContact CB-CH2 4.22Å; V601-W621 HydrophobicContact CB-CZ2 4.34Å; V601-W621 HydrophobicContact CG1-CZ2 4.46Å; V601-W621 HydrophobicContact CG2-CH2 3.66Å; V601-W621 HydrophobicContact CG2-CZ2 4.13Å; V601-W621 HydrophobicContact CG2-CZ3 4.13Å; V604-W621 HydrophobicContact CB-CH2 4.36Å; V604-W621 HydrophobicContact CB-CZ2 3.71Å; V604-W621 HydrophobicContact CG1-CZ2 3.68Å; V604-W621 HydrophobicContact CG2-CH2 4.44Å; V604-W621 HydrophobicContact CG2-CZ2 4.23Å; S617-W621 PolarHBondContact O-N 3Å; V618-W621 WeakPolarHBondContact O-CB 3.39Å; V618-W621 PolarHBondContact O-N 2.9Å; E619-W621 VanDerWaalsContact C-N 3.31Å; E619-W621 PolarHBondContact O-N 3.32Å; W621-W623 VanDerWaalsContact C-N 3.31Å; W621-W623 PolarHBondContact O-N 2.94Å; W621-C624 PolarHBondContact O-N 3.38Å; W621-L625 WeakPolarHBondContact O-CB 3.34Å; W621-L625 WeakPolarHBondContact O-CG 3.48Å; W621-L625 PolarHBondContact O-N 2.98Å
622L93.7Very high91.4Very high108 Ų10848 Ų4857%0.56525%0.253SS*.Hα-helixtrans-62.3-39.5177.6-72172.9000111.5V618 E619 L625 F626V618-L622 HydrophobicContact CG1-CD1 4.34Å; V618-L622 WeakPolarHBondContact O-CG 3.24Å; V618-L622 PolarHBondContact O-N 3.01Å; E619-L622 PolarHBondContact O-N 3.49Å; L622-L625 PolarHBondContact O-N 2.82Å; L622-F626 VanDerWaalsContact O-CB 3.28Å; L622-F626 WeakPolarHBondContact O-CB 3.4Å; L622-F626 PolarHBondContact O-N 3.33Å
623W93.3Very high91.9Very high113 Ų11350.6 Ų50.643%0.42826%0.263SS..Hα-helixtrans-65.8-43.9173.6-78.8111.7000112.7F534 E619 Q620 W621 L625 F626 L627F534-W623 HydrophobicContact CE1-CB 3.63Å; F534-W623 AromaticContact CE1-CD1 3.54Å; F534-W623 HydrophobicContact CE1-CD2 4.49Å; F534-W623 AromaticContact CE1-CG 3.61Å; F534-W623 HydrophobicContact CE1-CG 3.61Å; F534-W623 HydrophobicContact CZ-CB 3.77Å; F534-W623 HydrophobicContact CZ-CG 4.03Å; E619-W623 VanDerWaalsContact O-CD1 3.23Å; E619-W623 PolarHBondContact O-N 2.92Å; Q620-W623 PolarHBondContact O-N 2.84Å; W621-W623 VanDerWaalsContact C-N 3.31Å; W621-W623 PolarHBondContact O-N 2.94Å; W623-L625 VanDerWaalsContact C-N 3.32Å; W623-L625 PolarHBondContact O-N 2.81Å; W623-F626 HydrophobicContact CE3-CD1 4.1Å; W623-F626 HydrophobicContact CZ3-CD1 4.09Å; W623-F626 HydrophobicContact CZ3-CE1 4.34Å; W623-F626 PolarHBondContact O-N 3.41Å; W623-L627 WeakPolarHBondContact O-CG 3.18Å; W623-L627 PolarHBondContact O-N 2.84Å
624C93.5Very high92.1Very high1 Ų154.2 Ų54.21%0.00728%0.276CS..Hα-helixtrans-60.1-42.7174.7-63.60000111.6T558 L561 Q620 W621 G628T558-C624 PolarHBondContact OG1-SG 3.08Å; L561-C624 HydrophobicContact CD1-CB 3.69Å; Q620-C624 PolarHBondContact O-N 3.12Å; Q620-C624 PolarHBondContact O-SG 3.41Å; W621-C624 PolarHBondContact O-N 3.38Å; C624-G628 PolarHBondContact O-N 2.94Å
625L93.9Very high92.2Very high51 Ų5153.5 Ų53.527%0.26727%0.271SS..Hα-helixtrans-64.8-42.1175.8-78.6169.4000112.2L561 F597 W621 L622 W623 G628 F629L561-L625 HydrophobicContact CD1-CD2 4.05Å; L561-L625 HydrophobicContact CD1-CG 4.18Å; L561-L625 HydrophobicContact CD2-CD2 4.19Å; F597-L625 HydrophobicContact CE2-CD2 3.79Å; F597-L625 HydrophobicContact CZ-CD2 4.1Å; W621-L625 WeakPolarHBondContact O-CB 3.34Å; W621-L625 WeakPolarHBondContact O-CG 3.48Å; W621-L625 PolarHBondContact O-N 2.98Å; L622-L625 PolarHBondContact O-N 2.82Å; W623-L625 VanDerWaalsContact C-N 3.32Å; W623-L625 PolarHBondContact O-N 2.81Å; L625-G628 PolarHBondContact O-N 3.05Å; L625-F629 WeakPolarHBondContact O-CB 3.49Å; L625-F629 PolarHBondContact O-N 2.84Å
626F95.3Very high92.2Very high131 Ų13154.3 Ų54.358%0.57527%0.267SS*.Hα-helixtrans-62.2-46.3177.6174.9-100.9000111.6L622 W623 F629 G630L622-F626 VanDerWaalsContact O-CB 3.28Å; L622-F626 WeakPolarHBondContact O-CB 3.4Å; L622-F626 PolarHBondContact O-N 3.33Å; W623-F626 HydrophobicContact CE3-CD1 4.1Å; W623-F626 HydrophobicContact CZ3-CD1 4.09Å; W623-F626 HydrophobicContact CZ3-CE1 4.34Å; W623-F626 PolarHBondContact O-N 3.41Å; F626-F629 PolarHBondContact O-N 3.21Å; F626-G630 PolarHBondContact O-N 2.99Å
627L94.4Very high92.2Very high32 Ų3257.2 Ų57.217%0.16829%0.285CS..Hα-helixtrans-65.4-39.3175.9-67.9173000111.7Y518 V522 L526 T558 W623 G630Y518-L627 PolarHBondContact OH-O 3.36Å; V522-L627 HydrophobicContact CG1-CB 4.26Å; V522-L627 HydrophobicContact CG1-CD1 4.01Å; V522-L627 HydrophobicContact CG1-CD2 4.18Å; V522-L627 HydrophobicContact CG1-CG 4.38Å; L526-L627 HydrophobicContact CD1-CD1 4.1Å; L526-L627 HydrophobicContact CD2-CD1 4.19Å; L526-L627 HydrophobicContact CG-CD1 4.49Å; T558-L627 HydrophobicContact CG2-CB 3.63Å; T558-L627 HydrophobicContact CG2-CD1 3.87Å; T558-L627 HydrophobicContact CG2-CG 4.41Å; W623-L627 WeakPolarHBondContact O-CG 3.18Å; W623-L627 PolarHBondContact O-N 2.84Å; L627-G630 PolarHBondContact O-N 2.62Å
628G93.7Very high92Very high0 Ų054.9 Ų54.90%027%0.269CS..Hα-helixtrans-59.4-52.4172.300000112.6F565 C624 L625 G630 D631F565-G628 WeakPolarHBondContact CB-O 3.17Å; F565-G628 VanDerWaalsContact CD2-O 3.31Å; F565-G628 WeakPolarHBondContact CD2-O 3.26Å; C624-G628 PolarHBondContact O-N 2.94Å; L625-G628 PolarHBondContact O-N 3.05Å; G628-G630 PolarHBondContact O-N 3.37Å; G628-D631 WeakPolarHBondContact O-CB 3.49Å; G628-D631 PolarHBondContact O-N 3.1Å
629F94.2Very high91.8Very high92 Ų9251 Ų5140%0.40425%0.245SC..Hα-helixtrans-62.5-29.2177.8-173.8-98.2000112.2F565 L625 F626 D631 L632 L633F565-F629 HydrophobicContact CE1-CD2 4.22Å; F565-F629 HydrophobicContact CZ-CB 4.46Å; L625-F629 WeakPolarHBondContact O-CB 3.49Å; L625-F629 PolarHBondContact O-N 2.84Å; F626-F629 PolarHBondContact O-N 3.21Å; F629-D631 PolarHBondContact O-N 3Å; F629-L632 HydrophobicContact CE2-CD2 4.34Å; F629-L632 HydrophobicContact CZ-CD2 4.46Å; F629-L632 VanDerWaalsContact O-CB 3.3Å; F629-L632 WeakPolarHBondContact O-CB 3.32Å; F629-L632 PolarHBondContact O-N 3.37Å; F629-L633 HydrophobicContact CD1-CD1 4.08Å; F629-L633 HydrophobicContact CD1-CG 4.15Å; F629-L633 HydrophobicContact CE1-CD1 3.91Å; F629-L633 HydrophobicContact CE1-CD2 4.03Å; F629-L633 HydrophobicContact CE1-CG 3.86Å; F629-L633 PolarHBondContact O-N 2.83Å
630G93.9Very high91.4Very high13 Ų1348.2 Ų48.213%0.13424%0.24CC..Hα-helixtrans-56.2-31.8171.900000113.4Y518 F626 L627 G628 L632 L633 W634Y518-G630 WeakPolarHBondContact OH-CA 3.38Å; F626-G630 PolarHBondContact O-N 2.99Å; L627-G630 PolarHBondContact O-N 2.62Å; G628-G630 PolarHBondContact O-N 3.37Å; G630-L632 VanDerWaalsContact C-N 3.32Å; G630-L632 PolarHBondContact O-N 2.96Å; G630-L633 PolarHBondContact O-N 3.44Å; G630-W634 VanDerWaalsContact O-CB 3.29Å; G630-W634 WeakPolarHBondContact O-CB 3.5Å; G630-W634 PolarHBondContact O-N 3.18Å
631D92.6Very high91Very high0 Ų051.5 Ų51.50%026%0.257CS..Hα-helixtrans-66.3-34.8174.6-170.975.4000112.1H515 Y518 N566 N569 G628 F629 W634 G635H515-D631 IonicContact CE1-OD1 3.87Å; H515-D631 IonicContact CE1-OD2 3.77Å; H515-D631 IonicContact CG-OD1 3.08Å; H515-D631 IonicContact ND1-OD1 2.83Å; H515-D631 PolarHBondContact ND1-OD1 2.97Å; H515-D631 IonicContact ND1-OD2 3.89Å; H515-D631 PolarHBondContact ND1-OD2 3.3Å; H515-D631 VanDerWaalsContact ND1-OD2 3.12Å; Y518-D631 HydrophobicContact CD1-CB 4Å; Y518-D631 WeakPolarHBondContact CD1-OD1 3.42Å; Y518-D631 HydrophobicContact CE1-CB 3.75Å; N566-D631 WeakPolarHBondContact CA-OD2 3.31Å; N566-D631 VanDerWaalsContact CB-OD2 3.24Å; N566-D631 WeakPolarHBondContact CB-OD2 3.4Å; N569-D631 PolarHBondContact ND2-O 3.1Å; N569-D631 VanDerWaalsContact ND2-O 3.07Å; N569-D631 PolarHBondContact ND2-OD2 2.85Å; G628-D631 WeakPolarHBondContact O-CB 3.49Å; G628-D631 PolarHBondContact O-N 3.1Å; F629-D631 PolarHBondContact O-N 3Å; D631-W634 PolarHBondContact O-N 3.48Å; D631-G635 PolarHBondContact O-N 2.96Å
632L91.3Very high90.1Very high9 Ų953.8 Ų53.85%0.04728%0.276CS..Hα-helixtrans-64.6-43.3174-168.3139.8000111.8F565 I568 N569 F580 F629 G630 G635F565-L632 HydrophobicContact CD1-CD1 4.49Å; I568-L632 HydrophobicContact CB-CD1 4.47Å; I568-L632 HydrophobicContact CD1-CD1 4.47Å; I568-L632 HydrophobicContact CG2-CD1 4.14Å; N569-L632 WeakPolarHBondContact ND2-CA 3.5Å; F580-L632 HydrophobicContact CE1-CD1 3.91Å; F580-L632 HydrophobicContact CE2-CD1 4.5Å; F580-L632 HydrophobicContact CE2-CD2 4.11Å; F580-L632 HydrophobicContact CZ-CD1 3.54Å; F580-L632 HydrophobicContact CZ-CD2 3.78Å; F580-L632 HydrophobicContact CZ-CG 4.27Å; F629-L632 HydrophobicContact CE2-CD2 4.34Å; F629-L632 HydrophobicContact CZ-CD2 4.46Å; F629-L632 VanDerWaalsContact O-CB 3.3Å; F629-L632 WeakPolarHBondContact O-CB 3.32Å; F629-L632 PolarHBondContact O-N 3.37Å; G630-L632 VanDerWaalsContact C-N 3.32Å; G630-L632 PolarHBondContact O-N 2.96Å; L632-G635 PolarHBondContact O-N 3.39Å
633L91.4Very high89Confident95 Ų9550.8 Ų50.850%0.49726%0.264SS..Hα-helixtrans-67.8-41.1174.6-64179.1000111.6F629 G630 G635 Q636 V637F629-L633 HydrophobicContact CD1-CD1 4.08Å; F629-L633 HydrophobicContact CD1-CG 4.15Å; F629-L633 HydrophobicContact CE1-CD1 3.91Å; F629-L633 HydrophobicContact CE1-CD2 4.03Å; F629-L633 HydrophobicContact CE1-CG 3.86Å; F629-L633 PolarHBondContact O-N 2.83Å; G630-L633 PolarHBondContact O-N 3.44Å; L633-G635 VanDerWaalsContact C-N 3.27Å; L633-G635 PolarHBondContact O-N 3.44Å; L633-Q636 WeakPolarHBondContact O-CB 3.43Å; L633-Q636 PolarHBondContact O-N 3.28Å; L633-Q636 VanDerWaalsContact O-N 3.07Å; L633-V637 PolarHBondContact O-N 2.92Å
634W91.9Very high87.5Confident80 Ų8054.9 Ų54.930%0.30329%0.285SS..Hα-helixtrans-61-37.1176.5-176.4-108.1000111.8G514 Y518 G630 D631 Q636 V637 V638G514-W634 PolarHBondContact O-NE1 3.46Å; Y518-W634 VanDerWaalsContact CB-CD1 3.42Å; Y518-W634 HydrophobicContact CD2-CB 4.1Å; Y518-W634 HydrophobicContact CD2-CD2 4.01Å; Y518-W634 HydrophobicContact CD2-CE3 4.38Å; Y518-W634 AromaticContact CD2-CG 3.87Å; Y518-W634 HydrophobicContact CD2-CG 3.87Å; Y518-W634 HydrophobicContact CE2-CB 4.43Å; Y518-W634 HydrophobicContact CG-CB 4.19Å; Y518-W634 AromaticContact CG-CD1 3.85Å; Y518-W634 HydrophobicContact CG-CD2 4.34Å; Y518-W634 AromaticContact CG-CG 3.87Å; Y518-W634 HydrophobicContact CG-CG 3.87Å; G630-W634 VanDerWaalsContact O-CB 3.29Å; G630-W634 WeakPolarHBondContact O-CB 3.5Å; G630-W634 PolarHBondContact O-N 3.18Å; D631-W634 PolarHBondContact O-N 3.48Å; W634-Q636 PolarHBondContact O-N 3.3Å; W634-V637 HydrophobicContact CE3-CB 4.27Å; W634-V637 HydrophobicContact CE3-CG1 4.42Å; W634-V637 HydrophobicContact CE3-CG2 4.47Å; W634-V637 HydrophobicContact CZ3-CG1 4.25Å; W634-V637 CarbonylContact O-C 3.6Å; W634-V637 WeakPolarHBondContact O-CA 3.45Å; W634-V637 WeakPolarHBondContact O-CB 3.46Å; W634-V637 PolarHBondContact O-N 2.72Å; W634-V638 HydrophobicContact CD2-CG2 4.38Å; W634-V638 HydrophobicContact CG-CG2 4.26Å; W634-V638 HydrophobicContact CZ2-CG2 4.46Å; W634-V638 VanDerWaalsContact NE1-CG2 3.26Å; W634-V638 WeakPolarHBondContact O-CG2 3.36Å; W634-V638 PolarHBondContact O-N 3.1Å
635G87.7Confident85.9Confident2 Ų263.3 Ų63.32%0.02132%0.321CS..Hα-helixtrans-54.3-36172.400000113.6H515 D631 L632 L633 V638 T639H515-G635 VanDerWaalsContact CE1-CA 3.42Å; H515-G635 WeakPolarHBondContact CE1-CA 3.41Å; D631-G635 PolarHBondContact O-N 2.96Å; L632-G635 PolarHBondContact O-N 3.39Å; L633-G635 VanDerWaalsContact C-N 3.27Å; L633-G635 PolarHBondContact O-N 3.44Å; G635-V638 PolarHBondContact O-N 3.03Å; G635-T639 WeakPolarHBondContact O-CB 3.39Å; G635-T639 VanDerWaalsContact O-CG2 3.3Å; G635-T639 WeakPolarHBondContact O-CG2 3.46Å; G635-T639 PolarHBondContact O-N 3.23Å; G635-T639 PolarHBondContact O-OG1 3.04Å
636Q88.9Confident84.2Confident61 Ų6163.1 Ų63.129%0.28532%0.32SS..Hα-helixtrans-69.7-32.5175-59.8-60.8-39.400112.7R577 L633 W634 T639 S640R577-Q636 PolarHBondContact O-NE2 2.89Å; R577-Q636 PolarHBondContact O-OE1 3.49Å; L633-Q636 WeakPolarHBondContact O-CB 3.43Å; L633-Q636 PolarHBondContact O-N 3.28Å; L633-Q636 VanDerWaalsContact O-N 3.07Å; W634-Q636 PolarHBondContact O-N 3.3Å; Q636-T639 VanDerWaalsContact CA-OG1 3.28Å; Q636-T639 WeakPolarHBondContact CA-OG1 3.32Å; Q636-T639 PolarHBondContact O-OG1 2.85Å; Q636-S640 PolarHBondContact O-N 2.88Å; Q636-S640 PolarHBondContact O-OG 3.13Å
637V89.1Confident82.5Confident72 Ų7260.7 Ų60.744%0.43632%0.318SS..Hα-helixtrans-70.5-48.6174-179.10000110L633 W634 T639 S640 I641L633-V637 PolarHBondContact O-N 2.92Å; W634-V637 HydrophobicContact CE3-CB 4.27Å; W634-V637 HydrophobicContact CE3-CG1 4.42Å; W634-V637 HydrophobicContact CE3-CG2 4.47Å; W634-V637 HydrophobicContact CZ3-CG1 4.25Å; W634-V637 CarbonylContact O-C 3.6Å; W634-V637 WeakPolarHBondContact O-CA 3.45Å; W634-V637 WeakPolarHBondContact O-CB 3.46Å; W634-V637 PolarHBondContact O-N 2.72Å; V637-T639 VanDerWaalsContact C-N 3.32Å; V637-T639 PolarHBondContact O-N 3.45Å; V637-S640 WeakPolarHBondContact O-CB 3.09Å; V637-S640 PolarHBondContact O-N 2.9Å; V637-I641 PolarHBondContact O-N 2.81Å
638V87.5Confident80.6Confident2 Ų266.7 Ų66.71%0.01234%0.342CS..Hα-helixtrans-60.9-42179.9176.50000111K510 W634 G635 S640 I641K510-V638 WeakPolarHBondContact CE-O 3.48Å; K510-V638 HydrophobicContact CG-CG1 4.12Å; K510-V638 PolarHBondContact NZ-O 2.85Å; W634-V638 HydrophobicContact CD2-CG2 4.38Å; W634-V638 HydrophobicContact CG-CG2 4.26Å; W634-V638 HydrophobicContact CZ2-CG2 4.46Å; W634-V638 VanDerWaalsContact NE1-CG2 3.26Å; W634-V638 WeakPolarHBondContact O-CG2 3.36Å; W634-V638 PolarHBondContact O-N 3.1Å; G635-V638 PolarHBondContact O-N 3.03Å; V638-S640 VanDerWaalsContact C-N 3.29Å; V638-S640 PolarHBondContact O-N 2.83Å; V638-I641 PolarHBondContact O-N 2.72Å
639T85.1Confident78.8Confident35 Ų3576.4 Ų76.422%0.21539%0.385CS..Hα-helixtrans-63.1-34.1175.647.40000112.6K510 G635 Q636 V637 I641K510-T639 PolarHBondContact NZ-O 3.36Å; G635-T639 WeakPolarHBondContact O-CB 3.39Å; G635-T639 VanDerWaalsContact O-CG2 3.3Å; G635-T639 WeakPolarHBondContact O-CG2 3.46Å; G635-T639 PolarHBondContact O-N 3.23Å; G635-T639 PolarHBondContact O-OG1 3.04Å; Q636-T639 VanDerWaalsContact CA-OG1 3.28Å; Q636-T639 WeakPolarHBondContact CA-OG1 3.32Å; Q636-T639 PolarHBondContact O-OG1 2.85Å; V637-T639 VanDerWaalsContact C-N 3.32Å; V637-T639 PolarHBondContact O-N 3.45Å; T639-I641 VanDerWaalsContact C-N 3.28Å; T639-I641 PolarHBondContact O-N 2.91Å
640S84.3Confident76.8Confident72 Ų7274.8 Ų74.850%0.50338%0.38SS..Hα-helixtrans-68.8-19.9176.8-62.80000114.3Q636 V637 V638 P642Q636-S640 PolarHBondContact O-N 2.88Å; Q636-S640 PolarHBondContact O-OG 3.13Å; V637-S640 WeakPolarHBondContact O-CB 3.09Å; V637-S640 PolarHBondContact O-N 2.9Å; V638-S640 VanDerWaalsContact C-N 3.29Å; V638-S640 PolarHBondContact O-N 2.83Å; S640-P642 WeakPolarHBondContact O-CD 3.33Å
641I82.7Confident74.8Confident84 Ų8476.1 Ų76.143%0.43139%0.386SS..SBendtrans-71.3122.6176.9-60.4171000110.3K510 V637 V638 T639 S643K510-I641 HydrophobicContact CD-CB 4.27Å; K510-I641 HydrophobicContact CD-CG2 4.44Å; K510-I641 PolarHBondContact NZ-O 2.89Å; V637-I641 PolarHBondContact O-N 2.81Å; V638-I641 PolarHBondContact O-N 2.72Å; T639-I641 VanDerWaalsContact C-N 3.28Å; T639-I641 PolarHBondContact O-N 2.91Å; I641-S643 PolarHBondContact O-N 2.71Å
642P74.9Confident72.8Confident77 Ų7777.7 Ų77.750%0.540%0.398SS..  trans-62.4122.3-179.9-23.133.2000112.8S640 K644 K645S640-P642 WeakPolarHBondContact O-CD 3.33Å; P642-K644 PolarHBondContact O-N 2.8Å; P642-K644 VanDerWaalsContact O-N 3.15Å; P642-K645 PolarHBondContact O-N 2.84Å
643S69.3Low70.9Confident45 Ų4584.1 Ų84.132%0.31543%0.426SS..G310 helixtrans-66.5-15.1179.556.20000114.2I641 K645 L646I641-S643 PolarHBondContact O-N 2.71Å; S643-K645 PolarHBondContact O-N 2.9Å; S643-L646 PolarHBondContact O-N 2.88Å
644K62.7Low68.6Low198 Ų19882.3 Ų82.386%0.86142%0.422SS*.G310 helixtrans-62.6-24.4176.7-68.5-175.7-179.6178.60113.3P642 L646P642-K644 PolarHBondContact O-N 2.8Å; P642-K644 VanDerWaalsContact O-N 3.15Å; K644-L646 VanDerWaalsContact C-N 3.28Å; K644-L646 PolarHBondContact O-N 2.79Å
645K58.5Low66.1Low179 Ų17986.1 Ų86.178%0.77844%0.443SS*.G310 helixtrans-75.3-13.9179.3-67.9-172.6176.5-175.90113.6P642 S643P642-K645 PolarHBondContact O-N 2.84Å; S643-K645 PolarHBondContact O-N 2.9Å
646L59.7Low63.7Low47 Ų4789.1 Ų89.125%0.24647%0.473CS..SBendtrans-85.7132.9-177.7-70.9165.7000111.6K510 S643 K644 L650K510-L646 HydrophobicContact CB-CD1 3.61Å; K510-L646 HydrophobicContact CD-CD1 4.33Å; K510-L646 HydrophobicContact CG-CD1 3.97Å; S643-L646 PolarHBondContact O-N 2.88Å; K644-L646 VanDerWaalsContact C-N 3.28Å; K644-L646 PolarHBondContact O-N 2.79Å; L646-L650 HydrophobicContact CB-CD1 4.31Å; L646-L650 HydrophobicContact CD2-CD1 3.9Å
647P59.1Low60.9Low79 Ų7990.9 Ų90.951%0.51348%0.483SS..  trans-61144.4-179.622.4-31.8000111.8K649 L650P647-K649 PolarHBondContact O-N 3.46Å; P647-K649 VanDerWaalsContact O-N 3.09Å; P647-L650 HydrophobicContact CG-CD1 3.66Å; P647-L650 HydrophobicContact CG-CG 4.05Å; P647-L650 PolarHBondContact O-N 3.36Å
648K55Low58.1Low158 Ų15893.8 Ų93.869%0.68749%0.492SS*.G310 helixtrans-59.2-24.2-178.8-56.1-160.9177.1170.60113.3R506 L650 T651R506-K648 VanDerWaalsContact NH2-CG 3.25Å; K648-L650 PolarHBondContact O-N 3.17Å; K648-T651 PolarHBondContact O-OG1 3.43Å; K648-T651 VanDerWaalsContact O-OG1 3.09Å
649K54.7Low55.3Low204 Ų20498.2 Ų98.289%0.88752%0.515SS*.G310 helixtrans-69.8-10.8-177.9-63-171.9178.2-174.40114.7P647 T651P647-K649 PolarHBondContact O-N 3.46Å; P647-K649 VanDerWaalsContact O-N 3.09Å; K649-T651 VanDerWaalsContact C-N 3.31Å; K649-T651 PolarHBondContact O-N 2.87Å
650L52.6Low52.6Low58 Ų58101.1 Ų101.130%0.30453%0.534SS..G310 helixtrans-81.6-3.6-178.5-75.8168.2000114.5M509 L646 P647 K648 A652M509-L650 WeakPolarHBondContact CE-O 3.47Å; M509-L650 HydrophobicContact CG-CB 4.26Å; L646-L650 HydrophobicContact CB-CD1 4.31Å; L646-L650 HydrophobicContact CD2-CD1 3.9Å; P647-L650 HydrophobicContact CG-CD1 3.66Å; P647-L650 HydrophobicContact CG-CG 4.05Å; P647-L650 PolarHBondContact O-N 3.36Å; K648-L650 PolarHBondContact O-N 3.17Å; L650-A652 PolarHBondContact O-N 3.18Å
651T51.6Low50Low42 Ų42103.2 Ų103.226%0.25854%0.538SS..  trans-78.7112.8170.346.20000109.4R506 K648 K649R506-T651 HydrophobicContact CG-CG2 3.67Å; K648-T651 PolarHBondContact O-OG1 3.43Å; K648-T651 VanDerWaalsContact O-OG1 3.09Å; K649-T651 VanDerWaalsContact C-N 3.31Å; K649-T651 PolarHBondContact O-N 2.87Å
652A51.7Low47.3Very low32 Ų32105.3 Ų105.326%0.26455%0.549SS..  trans-89.7152.2176.100000111.2A502 I504 L650A502-A652 VanDerWaalsContact CB-O 3.23Å; A502-A652 WeakPolarHBondContact CB-O 3.45Å; I504-A652 HydrophobicContact CD1-CB 4.48Å; L650-A652 PolarHBondContact O-N 3.18Å
653F51.2Low45.3Very low145 Ų145109.4 Ų109.464%0.63656%0.559SS**SBendtrans6737.5-179.9-50.5-80.3000115.8I504I504-F653 HydrophobicContact CD1-CD2 4.09Å; I504-F653 HydrophobicContact CD1-CE2 3.97Å
654S42.6Very low43.3Very low57 Ų57115.1 Ų115.140%0.39958%0.581SS.*  trans-83.9-15179.5-160.50000115T500T500-S654 PolarHBondContact O-OG 2.71Å
655E38.8Very low41.7Very low159 Ų159110.5 Ų110.574%0.74357%0.574SS**  trans-105.393.9-174.8-75.9172.3172.200110.6M657E655-M657 VanDerWaalsContact C-N 3.28Å; E655-M657 PolarHBondContact O-N 3.37Å; E655-M657 VanDerWaalsContact O-N 3.08Å
656G37Very low40.4Very low65 Ų65107.5 Ų107.567%0.6757%0.572SS**  trans-70.689.5157.700000108.5E658G656-E658 PolarHBondContact O-N 2.8Å
657M31Very low39Very low98 Ų98115.3 Ų115.348%0.48360%0.604SS.*  trans-64.2119.5165-167.7178.5-67.100107.5E655 I659 T693E655-M657 VanDerWaalsContact C-N 3.28Å; E655-M657 PolarHBondContact O-N 3.37Å; E655-M657 VanDerWaalsContact O-N 3.08Å; M657-I659 PolarHBondContact O-N 2.89Å; M657-I659 VanDerWaalsContact O-N 3.07Å; M657-T693 HydrophobicContact CE-CG2 3.68Å; M657-T693 HydrophobicContact SD-CG2 3.72Å
658E30.8Very low37.7Very low133 Ų133114.9 Ų114.962%0.62162%0.615SS**  trans-59.2111.6173.1-77.5179.1162.300108.4R369 G656 P660R369-E658 IonicContact CZ-OE1 3.87Å; R369-E658 IonicContact NH1-OE1 2.62Å; R369-E658 PolarHBondContact NH1-OE1 2.74Å; R369-E658 IonicContact NH2-OE1 3.79Å; R369-E658 PolarHBondContact NH2-OE1 2.9Å; G656-E658 PolarHBondContact O-N 2.8Å; E658-P660 WeakPolarHBondContact O-CD 3.26Å
659I29.1Very low36.7Very low96 Ų96111.3 Ų111.349%0.49262%0.622SS.*  trans-73.7113.7160.2-58.3174.1000104.5M657 I661 R686M657-I659 PolarHBondContact O-N 2.89Å; M657-I659 VanDerWaalsContact O-N 3.07Å; I659-I661 PolarHBondContact O-N 2.98Å; I659-R686 HydrophobicContact CD1-CG 4.29Å
660P26.9Very low35.7Very low95 Ų95110.1 Ų110.162%0.61762%0.62SS**  trans-56.1119.3169.522.2-29.8000107.1E658 I662E658-P660 WeakPolarHBondContact O-CD 3.26Å; P660-I662 HydrophobicContact CB-CG1 4.48Å; P660-I662 PolarHBondContact O-N 3.42Å
661I30.7Very low35Very low116 Ų116110.3 Ų110.360%0.59564%0.636SS**  trans-69.287.3172.1-53.4172.3000105.5I659 F663I659-I661 PolarHBondContact O-N 2.98Å; I661-F663 HydrophobicContact CB-CD2 4.41Å; I661-F663 HydrophobicContact CB-CE2 4.44Å; I661-F663 HydrophobicContact CG2-CD2 3.48Å; I661-F663 VanDerWaalsContact CG2-CD2 3.48Å; I661-F663 HydrophobicContact CG2-CE2 3.39Å; I661-F663 HydrophobicContact CG2-CG 4.28Å; I661-F663 HydrophobicContact CG2-CZ 4.12Å; I661-F663 PolarHBondContact O-N 3.14Å
662I26.4Very low34.6Very low129 Ų129116.9 Ų116.966%0.66266%0.664SS**  trans-7190.4168.9-57.4174.4000105.3P660 E664P660-I662 HydrophobicContact CB-CG1 4.48Å; P660-I662 PolarHBondContact O-N 3.42Å; I662-E664 HydrophobicContact CG2-CB 4.25Å; I662-E664 HydrophobicContact CG2-CG 3.86Å; I662-E664 PolarHBondContact O-N 2.97Å
663F31.6Very low34.2Very low162 Ų162124 Ų12471%0.71169%0.692SS**  trans-7177.2157.8-81.5-79.9000107.2I661 S665I661-F663 HydrophobicContact CB-CD2 4.41Å; I661-F663 HydrophobicContact CB-CE2 4.44Å; I661-F663 HydrophobicContact CG2-CD2 3.48Å; I661-F663 VanDerWaalsContact CG2-CD2 3.48Å; I661-F663 HydrophobicContact CG2-CE2 3.39Å; I661-F663 HydrophobicContact CG2-CG 4.28Å; I661-F663 HydrophobicContact CG2-CZ 4.12Å; I661-F663 PolarHBondContact O-N 3.14Å; F663-S665 PolarHBondContact O-N 2.94Å; F663-S665 VanDerWaalsContact O-N 3.12Å
664E27.1Very low33.6Very low166 Ų166119 Ų11978%0.77668%0.68SS**  trans-70.2105.5156.3-96.2-175.3173.100106.4I662 P666I662-E664 HydrophobicContact CG2-CB 4.25Å; I662-E664 HydrophobicContact CG2-CG 3.86Å; I662-E664 PolarHBondContact O-N 2.97Å; E664-P666 WeakPolarHBondContact O-CD 3.38Å
665S29.8Very low33.4Very low101 Ų101123.4 Ų123.471%0.70670%0.696SS**  trans-59.2120.2167.3-59.60000107.1F663 K667F663-S665 PolarHBondContact O-N 2.94Å; F663-S665 VanDerWaalsContact O-N 3.12Å; S665-K667 PolarHBondContact O-N 3.15Å
666P32Very low33.8Very low115 Ų115123.6 Ų123.675%0.74770%0.697SS**  trans-63.6116-172.517.8-24.8000110E664E664-P666 WeakPolarHBondContact O-CD 3.38Å
667K29.1Very low34Very low211 Ų211126.4 Ų126.492%0.91770%0.697SS**  trans-74.4122.4163.1-73.8-178.2176.5177.50107.7S665S665-K667 PolarHBondContact O-N 3.15Å
668G32.5Very low34.7Very low71 Ų71129.1 Ų129.173%0.73270%0.702SS**SBendtrans94.5121.5167.300000113.5
669G34Very low35.6Very low82 Ų82126.1 Ų126.185%0.84570%0.695SS**  trans-77.9129.7-176.600000113.2
670E34.1Very low36.3Very low180 Ų180123.2 Ų123.284%0.84169%0.689SS**  trans-141.3139.5155.3-88.3173.4-174.600106.5
671G36.9Very low37.2Very low62 Ų62124.6 Ų124.664%0.63969%0.687SS**  trans-64.3173.9-16100000117.1E673 G674G671-E673 PolarHBondContact O-N 2.8Å; G671-G674 PolarHBondContact O-N 3.4Å
672E43.8Very low38.1Very low180 Ų180123.2 Ų123.284%0.84168%0.68SS**THydrogen-bonded Turntrans-51.3-29.6-168.7-67.4177.7153.500114.9G674 M675E672-G674 VanDerWaalsContact C-N 3.26Å; E672-G674 PolarHBondContact O-N 3.03Å; E672-M675 WeakPolarHBondContact O-CB 3.16Å; E672-M675 PolarHBondContact O-N 3.1Å
673E42.4Very low39.1Very low182 Ų182122.7 Ų122.785%0.8568%0.678SS**Hα-helixtrans-66.1-23.4177.8-67.4-176.8167.300113.7G671 M675G671-E673 PolarHBondContact O-N 2.8Å; E673-M675 VanDerWaalsContact C-N 3.34Å
674G38.3Very low39.7Very low38 Ų38123.2 Ų123.239%0.39268%0.676SS.*Hα-helixtrans-77.8-1617600000114.3G671 E672 R678G671-G674 PolarHBondContact O-N 3.4Å; E672-G674 VanDerWaalsContact C-N 3.26Å; E672-G674 PolarHBondContact O-N 3.03Å; G674-R678 PolarHBondContact O-N 3.14Å
675M38.4Very low40.5Very low150 Ų150120.6 Ų120.674%0.73967%0.666SS**Hα-helixtrans-82-37.3-170.7-154.4170.8-179.800112.4E672 E673 R678 S679E672-M675 WeakPolarHBondContact O-CB 3.16Å; E672-M675 PolarHBondContact O-N 3.1Å; E673-M675 VanDerWaalsContact C-N 3.34Å; M675-R678 PolarHBondContact O-N 3.12Å; M675-S679 PolarHBondContact O-N 3.04Å; M675-S679 VanDerWaalsContact O-N 3.17Å
676E47.4Very low41.2Very low164 Ų164121.5 Ų121.577%0.76665%0.654SS**Hα-helixtrans-68.1-42.5177.5-70.6-170.3155.100112.2R678 S679 G680E676-R678 VanDerWaalsContact C-N 3.31Å; E676-R678 PolarHBondContact O-N 3.31Å; E676-S679 WeakPolarHBondContact O-CB 3.23Å; E676-S679 PolarHBondContact O-N 3.44Å; E676-G680 PolarHBondContact O-N 2.85Å
677N42.5Very low41.8Very low123 Ų123117.6 Ų117.666%0.65864%0.635SS**Hα-helixtrans-65.6-33177.7-90.3-23.5000112.7Q681N677-Q681 WeakPolarHBondContact O-CG 3.28Å; N677-Q681 PolarHBondContact O-N 3.18Å
678R45.7Very low42.4Very low156 Ų156111.7 Ų111.759%0.58961%0.613SS**Hα-helixtrans-73.6-34.8176-80-175.4178177.44.4112.9G674 M675 E676 G680 Q681 I682G674-R678 PolarHBondContact O-N 3.14Å; M675-R678 PolarHBondContact O-N 3.12Å; E676-R678 VanDerWaalsContact C-N 3.31Å; E676-R678 PolarHBondContact O-N 3.31Å; R678-G680 VanDerWaalsContact C-N 3.35Å; R678-G680 PolarHBondContact O-N 2.69Å; R678-Q681 PolarHBondContact O-N 3.27Å; R678-I682 HydrophobicContact CB-CD1 4.47Å; R678-I682 WeakPolarHBondContact O-CB 3.5Å; R678-I682 WeakPolarHBondContact O-CD1 3.36Å; R678-I682 WeakPolarHBondContact O-CG1 3.12Å; R678-I682 PolarHBondContact O-N 3.4Å
679S48.1Very low42.7Very low69 Ų69111.5 Ų111.548%0.48360%0.598SS.*Hα-helixtrans-55.1-49.9174.1154.30000111.5M675 E676 I682 L683M675-S679 PolarHBondContact O-N 3.04Å; M675-S679 VanDerWaalsContact O-N 3.17Å; E676-S679 WeakPolarHBondContact O-CB 3.23Å; E676-S679 PolarHBondContact O-N 3.44Å; S679-I682 PolarHBondContact O-N 3.32Å; S679-L683 PolarHBondContact O-N 3.08Å
680G44.6Very low43Very low35 Ų35115.4 Ų115.436%0.36159%0.587SS.*Hα-helixtrans-63-43.3177.300000112.9E676 R678 L683 W684E676-G680 PolarHBondContact O-N 2.85Å; R678-G680 VanDerWaalsContact C-N 3.35Å; R678-G680 PolarHBondContact O-N 2.69Å; G680-L683 PolarHBondContact O-N 3.07Å; G680-W684 PolarHBondContact O-N 3.28Å
681Q46Very low43.3Very low125 Ų125109.4 Ų109.458%0.58456%0.561SS**Hα-helixtrans-65-38.4176.8-74.9178.1-9.300112.9N677 R678 W684 L685N677-Q681 WeakPolarHBondContact O-CG 3.28Å; N677-Q681 PolarHBondContact O-N 3.18Å; R678-Q681 PolarHBondContact O-N 3.27Å; Q681-W684 PolarHBondContact O-N 2.75Å; Q681-L685 WeakPolarHBondContact O-CB 3.4Å; Q681-L685 PolarHBondContact O-N 3.44Å
682I49.6Very low43.2Very low86 Ų86113.3 Ų113.344%0.44156%0.562SS.*Hα-helixtrans-67.1-40.6177.2-69.3162.6000110.4R678 S679 L685 R686R678-I682 HydrophobicContact CB-CD1 4.47Å; R678-I682 WeakPolarHBondContact O-CB 3.5Å; R678-I682 WeakPolarHBondContact O-CD1 3.36Å; R678-I682 WeakPolarHBondContact O-CG1 3.12Å; R678-I682 PolarHBondContact O-N 3.4Å; S679-I682 PolarHBondContact O-N 3.32Å; I682-L685 PolarHBondContact O-N 2.79Å; I682-R686 HydrophobicContact CG2-CG 4.49Å; I682-R686 WeakPolarHBondContact O-CB 3.17Å; I682-R686 WeakPolarHBondContact O-CG 3.09Å; I682-R686 PolarHBondContact O-N 3.11Å
683L46.7Very low42.9Very low119 Ų119107 Ų10762%0.62354%0.536SS*.Hα-helixtrans-60.4-44.9172.6-102.1152.8000111.5S679 G680 R686 G687S679-L683 PolarHBondContact O-N 3.08Å; G680-L683 PolarHBondContact O-N 3.07Å; L683-R686 PolarHBondContact O-N 2.91Å; L683-G687 PolarHBondContact O-N 3.18Å
684W44.8Very low42.9Very low173 Ų173101.5 Ų101.566%0.65551%0.51SS*.Hα-helixtrans-64.2-46.3176.2-112.494.5000112.8G680 Q681 R686 G687 L688G680-W684 PolarHBondContact O-N 3.28Å; Q681-W684 PolarHBondContact O-N 2.75Å; W684-R686 VanDerWaalsContact C-N 3.31Å; W684-R686 PolarHBondContact O-N 3.1Å; W684-G687 PolarHBondContact O-N 3.05Å; W684-L688 HydrophobicContact CE3-CD1 3.55Å; W684-L688 HydrophobicContact CE3-CG 3.84Å; W684-L688 HydrophobicContact CZ3-CD1 3.83Å; W684-L688 HydrophobicContact CZ3-CD2 4.36Å; W684-L688 HydrophobicContact CZ3-CG 3.95Å; W684-L688 WeakPolarHBondContact O-CB 3.44Å; W684-L688 PolarHBondContact O-N 2.66Å
685L44.7Very low42.8Very low111 Ų111103 Ų10358%0.58151%0.512SS*.Hα-helixtrans-61.2-40.7174.9-104.3131.7000110.9Q681 I682 L688 T689Q681-L685 WeakPolarHBondContact O-CB 3.4Å; Q681-L685 PolarHBondContact O-N 3.44Å; I682-L685 PolarHBondContact O-N 2.79Å; L685-L688 PolarHBondContact O-N 3.45Å; L685-T689 VanDerWaalsContact O-CB 3.28Å; L685-T689 WeakPolarHBondContact O-CB 3.29Å; L685-T689 PolarHBondContact O-N 3.11Å; L685-T689 PolarHBondContact O-OG1 2.51Å
686R44.8Very low42.8Very low119 Ų11999.2 Ų99.245%0.44950%0.5SS..Hα-helixtrans-62.5-43.9174-77.5174.1174.3-179.3-0.3111.7I659 I682 L683 W684 R690I659-R686 HydrophobicContact CD1-CG 4.29Å; I682-R686 HydrophobicContact CG2-CG 4.49Å; I682-R686 WeakPolarHBondContact O-CB 3.17Å; I682-R686 WeakPolarHBondContact O-CG 3.09Å; I682-R686 PolarHBondContact O-N 3.11Å; L683-R686 PolarHBondContact O-N 2.91Å; W684-R686 VanDerWaalsContact C-N 3.31Å; W684-R686 PolarHBondContact O-N 3.1Å; R686-R690 WeakPolarHBondContact O-CB 3.42Å; R686-R690 PolarHBondContact O-N 3.08Å
687G43.6Very low42.3Very low34 Ų3496.6 Ų96.635%0.35149%0.487SS..Hα-helixtrans-60.5-48.4174.900000112.7L683 W684 R690 L691L683-G687 PolarHBondContact O-N 3.18Å; W684-G687 PolarHBondContact O-N 3.05Å; G687-R690 PolarHBondContact O-N 2.78Å; G687-L691 WeakPolarHBondContact O-CG 3.34Å; G687-L691 PolarHBondContact O-N 3.11Å
688L40.9Very low42Very low87 Ų8797.7 Ų97.746%0.45548%0.482SS..Hα-helixtrans-64.8-44.2178-86.9166.1000112.4W684 L685 R690 L691 Q692W684-L688 HydrophobicContact CE3-CD1 3.55Å; W684-L688 HydrophobicContact CE3-CG 3.84Å; W684-L688 HydrophobicContact CZ3-CD1 3.83Å; W684-L688 HydrophobicContact CZ3-CD2 4.36Å; W684-L688 HydrophobicContact CZ3-CG 3.95Å; W684-L688 WeakPolarHBondContact O-CB 3.44Å; W684-L688 PolarHBondContact O-N 2.66Å; L685-L688 PolarHBondContact O-N 3.45Å; L688-R690 VanDerWaalsContact C-N 3.33Å; L688-R690 PolarHBondContact O-N 3.09Å; L688-L691 CarbonylContact O-C 3.49Å; L688-L691 WeakPolarHBondContact O-CB 3.44Å; L688-L691 PolarHBondContact O-N 2.89Å; L688-Q692 WeakPolarHBondContact O-CB 2.96Å; L688-Q692 PolarHBondContact O-N 3.27Å
689T40.3Very low41.4Very low67 Ų6793.7 Ų93.741%0.41148%0.476SS..Hα-helixtrans-67.5-39.3179.6-430000109.8L685 L691 Q692 T693L685-T689 VanDerWaalsContact O-CB 3.28Å; L685-T689 WeakPolarHBondContact O-CB 3.29Å; L685-T689 PolarHBondContact O-N 3.11Å; L685-T689 PolarHBondContact O-OG1 2.51Å; T689-L691 VanDerWaalsContact C-N 3.28Å; T689-L691 PolarHBondContact O-N 3.29Å; T689-Q692 PolarHBondContact O-N 2.88Å; T689-T693 PolarHBondContact O-N 3.44Å; T689-T693 PolarHBondContact O-OG1 2.92Å
690R39.5Very low40.6Very low163 Ų16397.8 Ų97.862%0.61549%0.491SS*.Hα-helixtrans-59.4-38.5172.9-166.8177.3-170.1-1762.6111.7R686 G687 L688 Q694R686-R690 WeakPolarHBondContact O-CB 3.42Å; R686-R690 PolarHBondContact O-N 3.08Å; G687-R690 PolarHBondContact O-N 2.78Å; L688-R690 VanDerWaalsContact C-N 3.33Å; L688-R690 PolarHBondContact O-N 3.09Å; R690-Q694 VanDerWaalsContact O-CB 3.28Å; R690-Q694 WeakPolarHBondContact O-CB 3.25Å; R690-Q694 VanDerWaalsContact O-CD 3.29Å; R690-Q694 WeakPolarHBondContact O-CG 3.39Å; R690-Q694 PolarHBondContact O-N 2.83Å
691L39.6Very low40.2Very low55 Ų55101 Ų10129%0.28851%0.508SS..Hα-helixtrans-70.3-44.3172.6-76.2164.2000112.2G687 L688 T689 Q694 V695 V717G687-L691 WeakPolarHBondContact O-CG 3.34Å; G687-L691 PolarHBondContact O-N 3.11Å; L688-L691 CarbonylContact O-C 3.49Å; L688-L691 WeakPolarHBondContact O-CB 3.44Å; L688-L691 PolarHBondContact O-N 2.89Å; T689-L691 VanDerWaalsContact C-N 3.28Å; T689-L691 PolarHBondContact O-N 3.29Å; L691-Q694 PolarHBondContact O-N 3.17Å; L691-V695 WeakPolarHBondContact O-CB 3.45Å; L691-V695 WeakPolarHBondContact O-CG2 3.34Å; L691-V695 PolarHBondContact O-N 2.88Å; L691-V717 HydrophobicContact CD1-CG1 4.1Å; L691-V717 HydrophobicContact CD2-CG1 3.66Å; L691-V717 HydrophobicContact CD2-CG2 4.15Å
692Q35.2Very low39.6Very low143 Ų14399.2 Ų99.267%0.66850%0.502SS*.Hα-helixtrans-67.1-40.4-174.9-154.5174.46.500111.9L688 T689 V695 S696L688-Q692 WeakPolarHBondContact O-CB 2.96Å; L688-Q692 PolarHBondContact O-N 3.27Å; T689-Q692 PolarHBondContact O-N 2.88Å; Q692-V695 PolarHBondContact O-N 3.29Å; Q692-S696 WeakPolarHBondContact O-CB 3.49Å; Q692-S696 PolarHBondContact O-N 3.02Å
693T38.8Very low38.9Very low48 Ų48100.5 Ų100.529%0.29452%0.519SS..Hα-helixtrans-70.4-38.1174.9-32.10000111.6M657 T689 V695 S696 E697M657-T693 HydrophobicContact CE-CG2 3.68Å; M657-T693 HydrophobicContact SD-CG2 3.72Å; T689-T693 PolarHBondContact O-N 3.44Å; T689-T693 PolarHBondContact O-OG1 2.92Å; T693-V695 VanDerWaalsContact C-N 3.32Å; T693-V695 PolarHBondContact O-N 2.77Å; T693-S696 PolarHBondContact O-N 3.49Å; T693-E697 PolarHBondContact O-N 3.4Å
694Q41.9Very low38.6Very low67 Ų67106 Ų10631%0.31353%0.531SS..Hα-helixtrans-65.8-34.2174.2-77.3176.59.200112.9R690 L691 R698R690-Q694 VanDerWaalsContact O-CB 3.28Å; R690-Q694 WeakPolarHBondContact O-CB 3.25Å; R690-Q694 VanDerWaalsContact O-CD 3.29Å; R690-Q694 WeakPolarHBondContact O-CG 3.39Å; R690-Q694 PolarHBondContact O-N 2.83Å; L691-Q694 PolarHBondContact O-N 3.17Å; Q694-R698 WeakPolarHBondContact O-CB 3.42Å; Q694-R698 WeakPolarHBondContact O-CG 3.4Å; Q694-R698 PolarHBondContact O-N 2.92Å
695V37Very low38.2Very low69 Ų69101.5 Ų101.542%0.41852%0.52SS..Hα-helixtrans-69.6-47.3172.21710000109.1L691 Q692 T693 E697 R698 T699L691-V695 WeakPolarHBondContact O-CB 3.45Å; L691-V695 WeakPolarHBondContact O-CG2 3.34Å; L691-V695 PolarHBondContact O-N 2.88Å; Q692-V695 PolarHBondContact O-N 3.29Å; T693-V695 VanDerWaalsContact C-N 3.32Å; T693-V695 PolarHBondContact O-N 2.77Å; V695-E697 PolarHBondContact O-N 3.27Å; V695-R698 CarbonylContact O-C 3.24Å; V695-R698 PolarHBondContact O-N 2.95Å; V695-R698 VanDerWaalsContact O-N 3.16Å; V695-T699 HydrophobicContact CG1-CG2 3.83Å; V695-T699 WeakPolarHBondContact O-CB 3.31Å; V695-T699 WeakPolarHBondContact O-CG2 3.09Å; V695-T699 PolarHBondContact O-N 3.23Å; V695-T699 PolarHBondContact O-OG1 3.02Å
696S37.6Very low37.8Very low70 Ų70102.4 Ų102.449%0.4953%0.525SS..Hα-helixtrans-60.7-43.2-177.1-160.50000113.5Q692 T693 T699Q692-S696 WeakPolarHBondContact O-CB 3.49Å; Q692-S696 PolarHBondContact O-N 3.02Å; T693-S696 PolarHBondContact O-N 3.49Å; S696-T699 WeakPolarHBondContact CA-OG1 3.47Å; S696-T699 PolarHBondContact O-OG1 2.89Å
697E36.6Very low37.4Very low109 Ų109100.8 Ų100.851%0.50954%0.537SS..Hα-helixtrans-70.2-31.4177.2-74.6-179.8162.200112.5T693 V695T693-E697 PolarHBondContact O-N 3.4Å; V695-E697 PolarHBondContact O-N 3.27Å
698R35.9Very low37.1Very low146 Ų146103.7 Ų103.755%0.55155%0.548SS*.Hα-helixtrans-83-29.2176.4-72.1-178.8176.1-171.80.6113.2Q694 V695 L700 S701 L702Q694-R698 WeakPolarHBondContact O-CB 3.42Å; Q694-R698 WeakPolarHBondContact O-CG 3.4Å; Q694-R698 PolarHBondContact O-N 2.92Å; V695-R698 CarbonylContact O-C 3.24Å; V695-R698 PolarHBondContact O-N 2.95Å; V695-R698 VanDerWaalsContact O-N 3.16Å; R698-L700 VanDerWaalsContact C-N 3.27Å; R698-L700 PolarHBondContact O-N 3.3Å; R698-S701 PolarHBondContact O-N 3.21Å; R698-S701 VanDerWaalsContact O-N 3.12Å; R698-L702 PolarHBondContact O-N 2.59Å
699T32.8Very low37Very low73 Ų73104.1 Ų104.145%0.44855%0.547SS..Hα-helixtrans-67.9-25.2178.138.10000113V695 S696 S701 L702 S703V695-T699 HydrophobicContact CG1-CG2 3.83Å; V695-T699 WeakPolarHBondContact O-CB 3.31Å; V695-T699 WeakPolarHBondContact O-CG2 3.09Å; V695-T699 PolarHBondContact O-N 3.23Å; V695-T699 PolarHBondContact O-OG1 3.02Å; S696-T699 WeakPolarHBondContact CA-OG1 3.47Å; S696-T699 PolarHBondContact O-OG1 2.89Å; T699-S701 PolarHBondContact O-N 3.09Å; T699-L702 PolarHBondContact O-N 2.86Å; T699-S703 PolarHBondContact O-N 2.64Å
700L32.8Very low36.8Very low155 Ų155104.3 Ų104.381%0.81255%0.551SS**THydrogen-bonded Turntrans-66-20.5172.9-101149.3000113.2R698R698-L700 VanDerWaalsContact C-N 3.27Å; R698-L700 PolarHBondContact O-N 3.3Å
701S34.9Very low36.8Very low102 Ų102103 Ų10371%0.71355%0.551SS**THydrogen-bonded Turntrans-103.3-5.1173.8-172.10000114R698 T699R698-S701 PolarHBondContact O-N 3.21Å; R698-S701 VanDerWaalsContact O-N 3.12Å; T699-S701 PolarHBondContact O-N 3.09Å
702L33.3Very low36.9Very low88 Ų88104.7 Ų104.746%0.46156%0.556SS.*  trans-133.830.6-166.8-74.9165.3000113.6R698 T699 R704 L705R698-L702 PolarHBondContact O-N 2.59Å; T699-L702 PolarHBondContact O-N 2.86Å; L702-R704 PolarHBondContact O-N 2.92Å; L702-L705 HydrophobicContact CB-CD1 4.13Å; L702-L705 HydrophobicContact CD1-CD1 4.19Å; L702-L705 HydrophobicContact CD2-CD1 3.78Å; L702-L705 HydrophobicContact CD2-CG 4.14Å; L702-L705 HydrophobicContact CG-CD1 4.25Å; L702-L705 PolarHBondContact O-N 3.4Å
703S35Very low37.1Very low112 Ų112102.1 Ų102.178%0.78354%0.542SS*.THydrogen-bonded Turntrans-62.823.7170.455.70000114.9T699T699-S703 PolarHBondContact O-N 2.64Å
704R40.4Very low37.1Very low236 Ų236103.7 Ų103.789%0.89155%0.552SS**THydrogen-bonded Turntrans-131.916.5178.3-71.8-167.3176.3-170.2-0.4114.7L702L702-R704 PolarHBondContact O-N 2.92Å
705L37.1Very low36.9Very low78 Ų78104.2 Ų104.241%0.40856%0.556SS.*  trans-100.1132.5174.2-65.2173.8000110.9L702 E709L702-L705 HydrophobicContact CB-CD1 4.13Å; L702-L705 HydrophobicContact CD1-CD1 4.19Å; L702-L705 HydrophobicContact CD2-CD1 3.78Å; L702-L705 HydrophobicContact CD2-CG 4.14Å; L702-L705 HydrophobicContact CG-CD1 4.25Å; L702-L705 PolarHBondContact O-N 3.4Å; L705-E709 WeakPolarHBondContact CA-OE2 3.45Å; L705-E709 HydrophobicContact CB-CB 4.08Å; L705-E709 WeakPolarHBondContact CB-OE2 3.45Å; L705-E709 HydrophobicContact CD2-CB 4.35Å; L705-E709 HydrophobicContact CD2-CG 4.29Å; L705-E709 VanDerWaalsContact CD2-OE1 3.23Å; L705-E709 WeakPolarHBondContact CD2-OE1 3.47Å; L705-E709 WeakPolarHBondContact CD2-OE2 3.24Å
706N35.8Very low37Very low129 Ų129106.1 Ų106.169%0.6956%0.563SS**  trans-81.7162.9-179.6-83.7-21.7000111V708 E709N706-V708 PolarHBondContact O-N 3.05Å; N706-E709 PolarHBondContact N-OE2 3.34Å; N706-E709 VanDerWaalsContact N-OE2 3.08Å; N706-E709 PolarHBondContact O-N 3.45Å
707A36Very low37.1Very low85 Ų85104.2 Ų104.270%0.70255%0.549SS*.Hα-helixtrans-49.1-27.4-173.900000115.7F711A707-F711 PolarHBondContact O-N 3.09Å
708V37.6Very low37Very low96 Ų96104 Ų10458%0.58255%0.548SS*.Hα-helixtrans-64.9-41.9175.9179.50000111.6N706 F711 F712N706-V708 PolarHBondContact O-N 3.05Å; V708-F711 WeakPolarHBondContact O-CB 3.38Å; V708-F711 PolarHBondContact O-N 3.45Å; V708-F712 HydrophobicContact CG1-CD2 3.94Å; V708-F712 HydrophobicContact CG1-CE2 3.93Å; V708-F712 WeakPolarHBondContact O-CD2 3.5Å; V708-F712 PolarHBondContact O-N 3.1Å; V708-F712 VanDerWaalsContact O-N 3.09Å
709E38.7Very low37Very low95 Ų95102 Ų10244%0.44455%0.547SS..Hα-helixtrans-73.2-33-176.8-69.2165.1134.300111.8L705 N706 F712 F713L705-E709 WeakPolarHBondContact CA-OE2 3.45Å; L705-E709 HydrophobicContact CB-CB 4.08Å; L705-E709 WeakPolarHBondContact CB-OE2 3.45Å; L705-E709 HydrophobicContact CD2-CB 4.35Å; L705-E709 HydrophobicContact CD2-CG 4.29Å; L705-E709 VanDerWaalsContact CD2-OE1 3.23Å; L705-E709 WeakPolarHBondContact CD2-OE1 3.47Å; L705-E709 WeakPolarHBondContact CD2-OE2 3.24Å; N706-E709 PolarHBondContact N-OE2 3.34Å; N706-E709 VanDerWaalsContact N-OE2 3.08Å; N706-E709 PolarHBondContact O-N 3.45Å; E709-F712 PolarHBondContact O-N 3.18Å; E709-F713 PolarHBondContact O-N 3.18Å; E709-F713 VanDerWaalsContact O-N 3.07Å
710S37.2Very low37.3Very low71 Ų71101 Ų10150%0.49755%0.547SS..Hα-helixtrans-64.1-40170.9-63.40000112.1F713 V714S710-F713 PolarHBondContact O-N 3.18Å; S710-V714 WeakPolarHBondContact O-CG2 3.45Å; S710-V714 PolarHBondContact O-N 3.29Å; S710-V714 VanDerWaalsContact O-N 3.16Å
711F39.5Very low37.3Very low137 Ų13797.7 Ų97.760%0.60153%0.529SS*.Hα-helixtrans-64-43.2175.8-176.3-97.6000111.7A707 V708 F713 V714 L715A707-F711 PolarHBondContact O-N 3.09Å; V708-F711 WeakPolarHBondContact O-CB 3.38Å; V708-F711 PolarHBondContact O-N 3.45Å; F711-F713 PolarHBondContact O-N 3.02Å; F711-V714 PolarHBondContact O-N 3.14Å; F711-L715 WeakPolarHBondContact O-CB 3.07Å; F711-L715 PolarHBondContact O-N 3.3Å
712F40Very low37.1Very low90 Ų90101.1 Ų101.140%0.39553%0.532SS..Hα-helixtrans-63.8-37.3176.8-91.8-79.9000113.1V708 E709 L715 L716V708-F712 HydrophobicContact CG1-CD2 3.94Å; V708-F712 HydrophobicContact CG1-CE2 3.93Å; V708-F712 WeakPolarHBondContact O-CD2 3.5Å; V708-F712 PolarHBondContact O-N 3.1Å; V708-F712 VanDerWaalsContact O-N 3.09Å; E709-F712 PolarHBondContact O-N 3.18Å; F712-L715 PolarHBondContact O-N 2.99Å; F712-L716 WeakPolarHBondContact O-CB 3.34Å; F712-L716 PolarHBondContact O-N 2.93Å
713F40.2Very low37.3Very low88 Ų88101.1 Ų101.139%0.38654%0.537SS..Hα-helixtrans-67.6-41176.9-166.3-97.7000111.9E709 S710 F711 L715 L716 V717E709-F713 PolarHBondContact O-N 3.18Å; E709-F713 VanDerWaalsContact O-N 3.07Å; S710-F713 PolarHBondContact O-N 3.18Å; F711-F713 PolarHBondContact O-N 3.02Å; F713-L715 VanDerWaalsContact C-N 3.35Å; F713-L716 WeakPolarHBondContact O-CB 3.44Å; F713-L716 PolarHBondContact O-N 2.77Å; F713-V717 HydrophobicContact CD1-CG2 4.2Å; F713-V717 HydrophobicContact CE1-CG2 3.95Å; F713-V717 HydrophobicContact CZ-CG2 4.44Å; F713-V717 VanDerWaalsContact O-CG2 3.31Å; F713-V717 WeakPolarHBondContact O-CG2 3.44Å; F713-V717 PolarHBondContact O-N 3.28Å
714V38.9Very low37.1Very low82 Ų82105.3 Ų105.350%0.49755%0.55SS..Hα-helixtrans-64.1-40.1175172.80000111.2S710 F711 V717 H718S710-V714 WeakPolarHBondContact O-CG2 3.45Å; S710-V714 PolarHBondContact O-N 3.29Å; S710-V714 VanDerWaalsContact O-N 3.16Å; F711-V714 PolarHBondContact O-N 3.14Å; V714-V717 PolarHBondContact O-N 2.67Å; V714-H718 WeakPolarHBondContact O-CB 3.29Å; V714-H718 PolarHBondContact O-N 3.23Å
715L37.2Very low36.9Very low78 Ų7898.8 Ų98.841%0.40853%0.533SS..Hα-helixtrans-64.8-42.7175.5-161.284.1000112F711 F712 F713 V717 H718 L719F711-L715 WeakPolarHBondContact O-CB 3.07Å; F711-L715 PolarHBondContact O-N 3.3Å; F712-L715 PolarHBondContact O-N 2.99Å; F713-L715 VanDerWaalsContact C-N 3.35Å; L715-V717 VanDerWaalsContact C-N 3.31Å; L715-V717 PolarHBondContact O-N 3.46Å; L715-H718 PolarHBondContact O-N 3.34Å; L715-L719 HydrophobicContact CD2-CD1 4.15Å; L715-L719 HydrophobicContact CG-CD1 3.99Å; L715-L719 WeakPolarHBondContact O-CB 3.48Å; L715-L719 WeakPolarHBondContact O-CG 3.39Å; L715-L719 PolarHBondContact O-N 3.38Å
716L38.9Very low36.9Very low108 Ų10899.8 Ų99.857%0.56554%0.539SS*.Hα-helixtrans-59.6-40.8175.1-104.5156.7000112.1F712 F713 A720F712-L716 WeakPolarHBondContact O-CB 3.34Å; F712-L716 PolarHBondContact O-N 2.93Å; F713-L716 WeakPolarHBondContact O-CB 3.44Å; F713-L716 PolarHBondContact O-N 2.77Å; L716-A720 VanDerWaalsContact O-CB 3.26Å; L716-A720 WeakPolarHBondContact O-CB 3.37Å; L716-A720 PolarHBondContact O-N 3Å; L716-A720 VanDerWaalsContact O-N 3.13Å
717V39.6Very low37Very low31 Ų3198.2 Ų98.219%0.18853%0.531CS..Hα-helixtrans-69.2-43.8176.1168.70000110.9L691 F713 V714 L715 A720 L721L691-V717 HydrophobicContact CD1-CG1 4.1Å; L691-V717 HydrophobicContact CD2-CG1 3.66Å; L691-V717 HydrophobicContact CD2-CG2 4.15Å; F713-V717 HydrophobicContact CD1-CG2 4.2Å; F713-V717 HydrophobicContact CE1-CG2 3.95Å; F713-V717 HydrophobicContact CZ-CG2 4.44Å; F713-V717 VanDerWaalsContact O-CG2 3.31Å; F713-V717 WeakPolarHBondContact O-CG2 3.44Å; F713-V717 PolarHBondContact O-N 3.28Å; V714-V717 PolarHBondContact O-N 2.67Å; L715-V717 VanDerWaalsContact C-N 3.31Å; L715-V717 PolarHBondContact O-N 3.46Å; V717-A720 PolarHBondContact O-N 3.26Å; V717-L721 HydrophobicContact CG1-CD1 3.69Å; V717-L721 WeakPolarHBondContact O-CB 3.09Å; V717-L721 WeakPolarHBondContact O-CG 3.08Å; V717-L721 PolarHBondContact O-N 3.47Å
718H35.7Very low37Very low105 Ų10599 Ų9949%0.48652%0.521SS..Hα-helixtrans-65.8-40.1179.2-101.8-54000113V714 L715 L721 F722V714-H718 WeakPolarHBondContact O-CB 3.29Å; V714-H718 PolarHBondContact O-N 3.23Å; L715-H718 PolarHBondContact O-N 3.34Å; H718-L721 PolarHBondContact O-N 3.3Å; H718-F722 PolarHBondContact O-N 3.14Å
719L35.8Very low37Very low102 Ų10299.2 Ų99.253%0.53452%0.517SS..Hα-helixtrans-71-32.8177.3-76.2165.3000112.4L715 L721L715-L719 HydrophobicContact CD2-CD1 4.15Å; L715-L719 HydrophobicContact CG-CD1 3.99Å; L715-L719 WeakPolarHBondContact O-CB 3.48Å; L715-L719 WeakPolarHBondContact O-CG 3.39Å; L715-L719 PolarHBondContact O-N 3.38Å; L719-L721 VanDerWaalsContact C-N 3.34Å
720A38Very low36.9Very low54 Ų5499.5 Ų99.545%0.44652%0.522SS..Hα-helixtrans-73.6-23.7176.800000113.5L716 V717L716-A720 VanDerWaalsContact O-CB 3.26Å; L716-A720 WeakPolarHBondContact O-CB 3.37Å; L716-A720 PolarHBondContact O-N 3Å; L716-A720 VanDerWaalsContact O-N 3.13Å; V717-A720 PolarHBondContact O-N 3.26Å
721L33.8Very low36.8Very low84 Ų84101.5 Ų101.544%0.4452%0.523SS..Hα-helixtrans-102.6-11.8-173.2-74.9168.2000114.8V717 H718 L719 P723 L724V717-L721 HydrophobicContact CG1-CD1 3.69Å; V717-L721 WeakPolarHBondContact O-CB 3.09Å; V717-L721 WeakPolarHBondContact O-CG 3.08Å; V717-L721 PolarHBondContact O-N 3.47Å; H718-L721 PolarHBondContact O-N 3.3Å; L719-L721 VanDerWaalsContact C-N 3.34Å; L721-P723 VanDerWaalsContact C-N 3.33Å; L721-L724 HydrophobicContact CD2-CD1 4.02Å; L721-L724 PolarHBondContact O-N 3.38Å; L721-L724 VanDerWaalsContact O-N 3.15Å
722F29.9Very low36.6Very low175 Ų17598.8 Ų98.877%0.76852%0.517SS*.THydrogen-bonded Turntrans-60.9-25-176.3-128.8-89.5000116.5H718H718-F722 PolarHBondContact O-N 3.14Å
723P38.1Very low36.3Very low88 Ų8899.5 Ų99.557%0.57153%0.528SS*.THydrogen-bonded Turntrans-95.18.4174.525.8-15.5000115.3L721L721-P723 VanDerWaalsContact C-N 3.33Å
724L30.1Very low36Very low199 Ų199100.5 Ų100.5100%1.04254%0.541SS*.  trans-98.80166.6-86.4161.7000109.7L721L721-L724 HydrophobicContact CD2-CD1 4.02Å; L721-L724 PolarHBondContact O-N 3.38Å; L721-L724 VanDerWaalsContact O-N 3.15Å

Retrieved 724 of 724 residues in 1131.6 ms (Link to these results)

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