A0A3Q0KQA5_SCHMA Loading...

DNA-directed RNA polymerase subunit beta

DNA-dependent RNA polymerase catalyzes the transcription of DNA into RNA using the four ribonucleoside triphosphates as substrates.

AlphaFold DB , UniProt , Accession A0A3Q0KQA5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,139 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
1M61.8Low81.2Confident39 Ų3948.9 Ų48.919%0.19223%0.231CC..  082.30-62.8-172.4-106.600111.6Q3 K4 P590 V592 L597 E633 M645M1-Q3 PolarHBondContact O-N 3.01Å; M1-K4 PolarHBondContact O-N 3.29Å; M1-P590 HydrophobicContact CE-CB 3.52Å; M1-P590 HydrophobicContact CE-CG 3.26Å; M1-V592 HydrophobicContact CE-CB 4.48Å; M1-V592 WeakPolarHBondContact CE-O 3.49Å; M1-V592 HydrophobicContact SD-CB 4.41Å; M1-V592 HydrophobicContact SD-CG1 4.05Å; M1-L597 HydrophobicContact CB-CD1 4.15Å; M1-L597 HydrophobicContact CG-CD1 4.24Å; M1-L597 HydrophobicContact SD-CD1 3.86Å; M1-E633 WeakPolarHBondContact CA-OE1 3.45Å; M1-E633 WeakPolarHBondContact CB-OE1 3.4Å; M1-E633 WeakPolarHBondContact CG-OE1 3.38Å; M1-E633 PolarHBondContact N-OE1 2.98Å; M1-E633 PolarHBondContact N-OE2 3.05Å; M1-M645 HydrophobicContact CE-CE 3.94Å
2K65.5Low81.6Confident205 Ų20546.9 Ų46.989%0.89122%0.222SC*.THydrogen-bonded Turntrans-61.6-16.9175.5-68.7-174.1177.5-1770113.1H5K2-H5 PolarHBondContact O-ND1 3.41Å
3Q74.7Confident81.7Confident59 Ų5949.2 Ų49.228%0.27625%0.254SS..THydrogen-bonded Turntrans-99.49.5-173.2-65.3-166.213.800114.5M1 H5 Y6 L597M1-Q3 PolarHBondContact O-N 3.01Å; Q3-H5 PolarHBondContact O-N 3.14Å; Q3-Y6 HydrophobicContact CB-CD2 3.86Å; Q3-Y6 HydrophobicContact CB-CE2 4.04Å; Q3-Y6 HydrophobicContact CG-CD2 4.42Å; Q3-Y6 HydrophobicContact CG-CE2 4.1Å; Q3-Y6 VanDerWaalsContact O-CD2 3.29Å; Q3-Y6 WeakPolarHBondContact O-CD2 3.35Å; Q3-Y6 PolarHBondContact O-N 3.26Å; Q3-Y6 VanDerWaalsContact O-N 3.13Å; Q3-L597 HydrophobicContact CB-CD1 4.2Å
4K84.8Confident81.6Confident25 Ų2548.1 Ų48.111%0.10925%0.252CS..G310 helixtrans-55.4-27.1-178.867.1179-172.7175.40114.3M1 Y6 L7 M631 D632 I647M1-K4 PolarHBondContact O-N 3.29Å; K4-Y6 PolarHBondContact O-N 3.38Å; K4-L7 VanDerWaalsContact O-CB 3.3Å; K4-L7 WeakPolarHBondContact O-CB 3.19Å; K4-L7 WeakPolarHBondContact O-CG 3.44Å; K4-L7 PolarHBondContact O-N 3.43Å; K4-L7 VanDerWaalsContact O-N 3.11Å; K4-M631 PolarHBondContact NZ-O 2.94Å; K4-D632 IonicContact NZ-OD1 3.66Å; K4-D632 PolarHBondContact NZ-OD1 2.89Å; K4-I647 WeakPolarHBondContact CD-O 3.35Å; K4-I647 VanDerWaalsContact CE-O 3.24Å; K4-I647 WeakPolarHBondContact CE-O 3.39Å; K4-I647 VanDerWaalsContact CG-O 3.28Å; K4-I647 WeakPolarHBondContact CG-O 3.28Å
5H81.6Confident81.6Confident39 Ų3947.6 Ų47.618%0.18125%0.247CC..G310 helixtrans-61.3-22179.266.3-87.6000114.4K2 Q3 L7 V8 P9K2-H5 PolarHBondContact O-ND1 3.41Å; Q3-H5 PolarHBondContact O-N 3.14Å; H5-L7 PolarHBondContact O-N 2.96Å; H5-V8 PolarHBondContact O-N 3.32Å; H5-V8 VanDerWaalsContact O-N 3.11Å; H5-P9 WeakPolarHBondContact O-CD 3.48Å
6Y84.4Confident81.1Confident89 Ų8945.5 Ų45.535%0.34924%0.241SC..G310 helixtrans-67-14.1174.9-70.9-70000113.7Q3 K4 V8 P9Q3-Y6 HydrophobicContact CB-CD2 3.86Å; Q3-Y6 HydrophobicContact CB-CE2 4.04Å; Q3-Y6 HydrophobicContact CG-CD2 4.42Å; Q3-Y6 HydrophobicContact CG-CE2 4.1Å; Q3-Y6 VanDerWaalsContact O-CD2 3.29Å; Q3-Y6 WeakPolarHBondContact O-CD2 3.35Å; Q3-Y6 PolarHBondContact O-N 3.26Å; Q3-Y6 VanDerWaalsContact O-N 3.13Å; K4-Y6 PolarHBondContact O-N 3.38Å; Y6-V8 VanDerWaalsContact C-N 3.27Å; Y6-V8 PolarHBondContact O-N 3.1Å; Y6-P9 WeakPolarHBondContact O-CD 3.37Å
7L88.3Confident80.9Confident0 Ų044.1 Ų44.10%023%0.234CC..Hα-helixtrans-66.2-30.5171-70.5170.3000112.1K4 H5 S10 F11 I583 L597 L600 W607 L610 I647K4-L7 VanDerWaalsContact O-CB 3.3Å; K4-L7 WeakPolarHBondContact O-CB 3.19Å; K4-L7 WeakPolarHBondContact O-CG 3.44Å; K4-L7 PolarHBondContact O-N 3.43Å; K4-L7 VanDerWaalsContact O-N 3.11Å; H5-L7 PolarHBondContact O-N 2.96Å; L7-S10 PolarHBondContact O-N 2.99Å; L7-F11 PolarHBondContact O-N 3.34Å; L7-I583 HydrophobicContact CD1-CD1 3.94Å; L7-I583 HydrophobicContact CD1-CG1 4.36Å; L7-L597 HydrophobicContact CD1-CD2 4.29Å; L7-L597 HydrophobicContact CD2-CD2 4.21Å; L7-L597 HydrophobicContact CG-CD2 3.98Å; L7-L600 HydrophobicContact CD2-CD1 3.48Å; L7-L600 VanDerWaalsContact CD2-CD1 3.48Å; L7-W607 HydrophobicContact CB-CZ3 4.2Å; L7-W607 HydrophobicContact CD2-CZ3 4.26Å; L7-L610 HydrophobicContact CD2-CD1 3.68Å; L7-I647 HydrophobicContact CB-CG2 3.74Å; L7-I647 HydrophobicContact CD1-CG2 4.07Å
8V88.7Confident81Confident0 Ų042.3 Ų42.30%022%0.224CC..Hα-helixtrans-67.6-49.2-177-1730000111.8H5 Y6 S10 F11 L12 L488 M489 I647 D648 T651 M715H5-V8 PolarHBondContact O-N 3.32Å; H5-V8 VanDerWaalsContact O-N 3.11Å; Y6-V8 VanDerWaalsContact C-N 3.27Å; Y6-V8 PolarHBondContact O-N 3.1Å; V8-S10 VanDerWaalsContact C-N 3.31Å; V8-S10 PolarHBondContact O-N 3.11Å; V8-F11 WeakPolarHBondContact O-CB 3.48Å; V8-F11 PolarHBondContact O-N 3.25Å; V8-L12 HydrophobicContact CG1-CD1 4.22Å; V8-L12 WeakPolarHBondContact O-CG 3.35Å; V8-L12 PolarHBondContact O-N 3.05Å; V8-L488 HydrophobicContact CG1-CD2 3.8Å; V8-M489 HydrophobicContact CB-SD 4.44Å; V8-M489 HydrophobicContact CG1-CG 4.15Å; V8-M489 HydrophobicContact CG1-SD 4.27Å; V8-M489 HydrophobicContact CG2-SD 3.81Å; V8-I647 HydrophobicContact CG2-CG2 4.08Å; V8-D648 HydrophobicContact CG2-CB 3.96Å; V8-T651 HydrophobicContact CG1-CG2 3.97Å; V8-T651 HydrophobicContact CG2-CG2 3.88Å; V8-M715 HydrophobicContact CB-CE 3.98Å; V8-M715 HydrophobicContact CB-SD 4.16Å; V8-M715 HydrophobicContact CG1-CE 4.12Å; V8-M715 HydrophobicContact CG1-SD 3.67Å
9P86.9Confident81.1Confident54 Ų5443.9 Ų43.935%0.35123%0.229SC..Hα-helixtrans-58.6-38.9172.5-24.733.8000113.5H5 Y6 F11 L12 A13 M715H5-P9 WeakPolarHBondContact O-CD 3.48Å; Y6-P9 WeakPolarHBondContact O-CD 3.37Å; P9-F11 PolarHBondContact O-N 3.42Å; P9-L12 PolarHBondContact O-N 3.41Å; P9-A13 WeakPolarHBondContact O-CB 3.36Å; P9-A13 PolarHBondContact O-N 3.22Å; P9-M715 HydrophobicContact CG-CE 4Å; P9-M715 HydrophobicContact CG-CG 4.21Å
10S86.1Confident81.4Confident25 Ų2542.4 Ų42.418%0.17522%0.221CC..Hα-helixtrans-63-41.6177.4-171.90000111.9L7 V8 S14L7-S10 PolarHBondContact O-N 2.99Å; V8-S10 VanDerWaalsContact C-N 3.31Å; V8-S10 PolarHBondContact O-N 3.11Å; S10-S14 PolarHBondContact O-N 2.88Å; S10-S14 PolarHBondContact O-OG 2.94Å
11F90.1Very high81.9Confident3 Ų340.5 Ų40.51%0.01321%0.211CC..Hα-helixtrans-62.2-46171.1170.4-96.3000112L7 V8 P9 A13 S14 K15 M489 P581 W607 Y618L7-F11 PolarHBondContact O-N 3.34Å; V8-F11 WeakPolarHBondContact O-CB 3.48Å; V8-F11 PolarHBondContact O-N 3.25Å; P9-F11 PolarHBondContact O-N 3.42Å; F11-A13 VanDerWaalsContact C-N 3.35Å; F11-A13 PolarHBondContact O-N 2.97Å; F11-S14 PolarHBondContact O-N 2.99Å; F11-S14 PolarHBondContact O-OG 2.69Å; F11-K15 HydrophobicContact CD2-CB 4.17Å; F11-K15 HydrophobicContact CD2-CG 4.22Å; F11-K15 HydrophobicContact CE2-CB 3.76Å; F11-K15 HydrophobicContact CE2-CG 3.93Å; F11-K15 HydrophobicContact CZ-CB 4.02Å; F11-K15 PolarHBondContact O-N 2.94Å; F11-M489 HydrophobicContact CB-CE 3.74Å; F11-M489 HydrophobicContact CD1-CB 4.47Å; F11-M489 HydrophobicContact CD1-CE 4.02Å; F11-M489 HydrophobicContact CD1-CG 4.14Å; F11-M489 HydrophobicContact CD2-CE 4.31Å; F11-M489 HydrophobicContact CE1-CB 4.28Å; F11-M489 HydrophobicContact CE1-CG 4.39Å; F11-M489 HydrophobicContact CG-CE 3.75Å; F11-P581 HydrophobicContact CD2-CG 4.3Å; F11-P581 HydrophobicContact CE2-CG 4.34Å; F11-W607 HydrophobicContact CB-CD2 3.99Å; F11-W607 HydrophobicContact CB-CE3 3.89Å; F11-W607 HydrophobicContact CB-CH2 4.11Å; F11-W607 HydrophobicContact CB-CZ2 4.21Å; F11-W607 HydrophobicContact CB-CZ3 3.95Å; F11-W607 HydrophobicContact CD2-CD2 4.34Å; F11-W607 AromaticContact CD2-CE2 3.71Å; F11-W607 HydrophobicContact CD2-CH2 4.35Å; F11-W607 AromaticContact CD2-CZ2 3.72Å; F11-W607 HydrophobicContact CD2-CZ2 3.72Å; F11-W607 AromaticContact CD2-NE1 3.89Å; F11-W607 HydrophobicContact CG-CZ2 4.38Å; F11-Y618 HydrophobicContact CE2-CE1 4.07Å; F11-Y618 WeakPolarHBondContact CE2-OH 3.49Å
12L87Confident83.4Confident25 Ų2539.3 Ų39.313%0.13121%0.206CC..Hα-helixtrans-66.4-34.8-178.9-70.3175.4000112.7V8 P9 G16 L17 L488 M715V8-L12 HydrophobicContact CG1-CD1 4.22Å; V8-L12 WeakPolarHBondContact O-CG 3.35Å; V8-L12 PolarHBondContact O-N 3.05Å; P9-L12 PolarHBondContact O-N 3.41Å; L12-G16 WeakPolarHBondContact O-CA 3.47Å; L12-G16 PolarHBondContact O-N 3.05Å; L12-L17 HydrophobicContact CD2-CD1 4.05Å; L12-L17 HydrophobicContact CD2-CD2 4.15Å; L12-L17 HydrophobicContact CD2-CG 3.7Å; L12-L488 HydrophobicContact CD1-CD1 4.49Å; L12-L488 HydrophobicContact CD1-CD2 4.31Å; L12-L488 HydrophobicContact CD1-CG 4.4Å; L12-L488 HydrophobicContact CD2-CD1 4.5Å; L12-L488 HydrophobicContact CD2-CG 4.38Å; L12-M715 HydrophobicContact CD1-CB 3.91Å; L12-M715 HydrophobicContact CD1-CG 4.35Å; L12-M715 HydrophobicContact CD1-SD 4.14Å
13A82.8Confident84.6Confident77 Ų7732.2 Ų32.264%0.63618%0.177SC*.Hα-helixtrans-64.7-46.7174.700000111.7P9 F11 K19P9-A13 WeakPolarHBondContact O-CB 3.36Å; P9-A13 PolarHBondContact O-N 3.22Å; F11-A13 VanDerWaalsContact C-N 3.35Å; F11-A13 PolarHBondContact O-N 2.97Å; A13-K19 PolarHBondContact O-NZ 3.11Å
14S80.5Confident85.4Confident33 Ų3329.9 Ų29.923%0.23117%0.168CC..Hα-helixtrans-75.4-53.9-177.357.40000112.9S10 F11 K19 W607S10-S14 PolarHBondContact O-N 2.88Å; S10-S14 PolarHBondContact O-OG 2.94Å; F11-S14 PolarHBondContact O-N 2.99Å; F11-S14 PolarHBondContact O-OG 2.69Å; S14-K19 PolarHBondContact O-NZ 3.38Å; S14-W607 VanDerWaalsContact OG-CB 3.28Å; S14-W607 WeakPolarHBondContact OG-CB 3.38Å
15K81.2Confident85.9Confident41 Ų4128.7 Ų28.718%0.17816%0.163CC..Hα-helixtrans-100-24.7-172.7-66.1-61.4-179.6-171.70114.6F11 K19 D608F11-K15 HydrophobicContact CD2-CB 4.17Å; F11-K15 HydrophobicContact CD2-CG 4.22Å; F11-K15 HydrophobicContact CE2-CB 3.76Å; F11-K15 HydrophobicContact CE2-CG 3.93Å; F11-K15 HydrophobicContact CZ-CB 4.02Å; F11-K15 PolarHBondContact O-N 2.94Å; K15-K19 VanDerWaalsContact C-CD 3.46Å; K15-K19 WeakPolarHBondContact O-CB 3.37Å; K15-K19 WeakPolarHBondContact O-CD 3.36Å; K15-D608 IonicContact NZ-OD1 3.84Å
16G73Confident86.5Confident14 Ų1428 Ų2814%0.14416%0.16CC..  trans56.3156.6175.400000116.1L12L12-G16 WeakPolarHBondContact O-CA 3.47Å; L12-G16 PolarHBondContact O-N 3.05Å
17L78.5Confident86.9Confident22 Ų2226 Ų2612%0.11515%0.154CC..SBendtrans-76.3-37.5179-72.1156.5000113.2L12 T443 L488 V655 M716L12-L17 HydrophobicContact CD2-CD1 4.05Å; L12-L17 HydrophobicContact CD2-CD2 4.15Å; L12-L17 HydrophobicContact CD2-CG 3.7Å; L17-T443 HydrophobicContact CB-CG2 4.45Å; L17-L488 HydrophobicContact CD1-CD1 3.83Å; L17-L488 HydrophobicContact CD2-CD1 3.89Å; L17-L488 HydrophobicContact CD2-CG 4.43Å; L17-L488 VanDerWaalsContact CD2-O 3.29Å; L17-L488 WeakPolarHBondContact CD2-O 3.32Å; L17-L488 HydrophobicContact CG-CD1 4.38Å; L17-V655 HydrophobicContact CD1-CG2 3.59Å; L17-V655 HydrophobicContact CD2-CG2 4.23Å; L17-V655 HydrophobicContact CG-CG2 4.45Å; L17-M716 HydrophobicContact CD1-CE 3.32Å; L17-M716 HydrophobicContact CD1-SD 3.14Å; L17-M716 WeakPolarHBondContact CD1-SD 3.33Å
18V81.6Confident87.1Confident11 Ų1126 Ų267%0.06715%0.154CC..SBendtrans-94-16.3-173.6-176.60000111.5L20 H21 P142 G143 L439 M442V18-L20 PolarHBondContact O-N 3.3Å; V18-L20 VanDerWaalsContact O-N 3.13Å; V18-H21 PolarHBondContact O-N 3.15Å; V18-P142 HydrophobicContact CB-CB 4.34Å; V18-P142 HydrophobicContact CG1-CB 4.19Å; V18-P142 HydrophobicContact CG2-CB 3.59Å; V18-G143 VanDerWaalsContact CG1-O 3.28Å; V18-G143 WeakPolarHBondContact CG1-O 3.45Å; V18-L439 HydrophobicContact CG2-CD2 4.48Å; V18-M442 HydrophobicContact CG1-CB 4.24Å; V18-M442 HydrophobicContact CG1-CG 4.25Å; V18-M442 HydrophobicContact CG2-CB 4.04Å; V18-M442 HydrophobicContact CG2-CG 4.32Å
19K83.7Confident87.3Confident74 Ų7426.6 Ų26.632%0.32216%0.157SC..Hα-helixtrans-59.7-21.3176.4-93.9176.8177.6175.60112.3A13 S14 K15 H21 I22 D23A13-K19 PolarHBondContact O-NZ 3.11Å; S14-K19 PolarHBondContact O-NZ 3.38Å; K15-K19 VanDerWaalsContact C-CD 3.46Å; K15-K19 WeakPolarHBondContact O-CB 3.37Å; K15-K19 WeakPolarHBondContact O-CD 3.36Å; K19-H21 VanDerWaalsContact C-N 3.27Å; K19-H21 PolarHBondContact O-N 2.88Å; K19-I22 PolarHBondContact O-N 2.96Å; K19-I22 VanDerWaalsContact O-N 3.08Å; K19-D23 VanDerWaalsContact O-CB 3.3Å; K19-D23 WeakPolarHBondContact O-CB 3.29Å; K19-D23 VanDerWaalsContact O-CG 3.25Å; K19-D23 PolarHBondContact O-N 3.45Å
20L87.7Confident87.6Confident12 Ų1229.4 Ų29.46%0.06317%0.166CC..Hα-helixtrans-47.6-48.5167.6-59.6177.8000112.6V18 S24 V486 V492V18-L20 PolarHBondContact O-N 3.3Å; V18-L20 VanDerWaalsContact O-N 3.13Å; L20-S24 WeakPolarHBondContact O-CB 3.06Å; L20-S24 PolarHBondContact O-N 3.38Å; L20-V486 HydrophobicContact CD1-CG1 4.39Å; L20-V492 HydrophobicContact CD1-CG2 4.3Å; L20-V492 HydrophobicContact CD2-CB 4.12Å; L20-V492 HydrophobicContact CD2-CG2 4.11Å
21H90.7Very high87.7Confident3 Ų330.9 Ų30.91%0.01417%0.174CC..Hα-helixtrans-72.8-40.3178.5-77.2-77.4000112.2V18 K19 F25 M116 V155 M442V18-H21 PolarHBondContact O-N 3.15Å; K19-H21 VanDerWaalsContact C-N 3.27Å; K19-H21 PolarHBondContact O-N 2.88Å; H21-F25 WeakPolarHBondContact O-CB 3.44Å; H21-F25 PolarHBondContact O-N 2.78Å; H21-M116 HydrophobicContact CB-CE 4.17Å; H21-M116 HydrophobicContact CB-SD 4.1Å; H21-V155 PolarHBondContact CE1-O 2.82Å; H21-M442 PolarHBondContact CD2-O 3.29Å; H21-M442 PolarHBondContact NE2-O 3.38Å; H21-M442 VanDerWaalsContact NE2-O 3.09Å
22I93.1Very high87.7Confident15 Ų1533 Ų338%0.07718%0.183CC..Hα-helixtrans-67.8-46.6-176.2-64.8169.7000110.8K19 F25 N26 M116 K118K19-I22 PolarHBondContact O-N 2.96Å; K19-I22 VanDerWaalsContact O-N 3.08Å; I22-F25 PolarHBondContact O-N 2.91Å; I22-N26 WeakPolarHBondContact CG2-ND2 3.42Å; I22-N26 WeakPolarHBondContact O-CB 3.45Å; I22-N26 PolarHBondContact O-N 3.14Å; I22-N26 PolarHBondContact O-ND2 2.93Å; I22-M116 HydrophobicContact CG1-SD 4.17Å; I22-K118 HydrophobicContact CD1-CB 4Å
23D91Very high87.9Confident55 Ų5531.9 Ų31.929%0.29418%0.178SC..Hα-helixtrans-65.5-41.6-179.5-67.6-12.2000110.6K19 F25 N26 H27K19-D23 VanDerWaalsContact O-CB 3.3Å; K19-D23 WeakPolarHBondContact O-CB 3.29Å; K19-D23 VanDerWaalsContact O-CG 3.25Å; K19-D23 PolarHBondContact O-N 3.45Å; D23-F25 PolarHBondContact O-N 3.27Å; D23-N26 PolarHBondContact O-N 3.46Å; D23-H27 WeakPolarHBondContact O-CB 3.42Å; D23-H27 PolarHBondContact O-N 3.27Å
24S92.4Very high88.3Confident11 Ų1131 Ų318%0.07716%0.16CC..Hα-helixtrans-60.3-43.5172.5179.10000112.4L20 F28 L354 G356L20-S24 WeakPolarHBondContact O-CB 3.06Å; L20-S24 PolarHBondContact O-N 3.38Å; S24-F28 PolarHBondContact O-N 2.92Å; S24-L354 VanDerWaalsContact OG-CB 3.31Å; S24-L354 WeakPolarHBondContact OG-CB 3.24Å; S24-G356 WeakPolarHBondContact OG-CA 3.47Å; S24-G356 PolarHBondContact OG-N 3.21Å; S24-G356 VanDerWaalsContact OG-N 3.13Å
25F94.8Very high88.7Confident0 Ų032.5 Ų32.50%017%0.165CC..Hα-helixtrans-71.6-36.8179.1-177.3-105.6000112.5H21 I22 D23 F28 I29 M116 F146 L359H21-F25 WeakPolarHBondContact O-CB 3.44Å; H21-F25 PolarHBondContact O-N 2.78Å; I22-F25 PolarHBondContact O-N 2.91Å; D23-F25 PolarHBondContact O-N 3.27Å; F25-F28 HydrophobicContact CD2-CD1 4.12Å; F25-F28 HydrophobicContact CE2-CD1 4.15Å; F25-F28 HydrophobicContact CE2-CE1 4.48Å; F25-F28 WeakPolarHBondContact O-CB 3.37Å; F25-F28 PolarHBondContact O-N 2.93Å; F25-I29 HydrophobicContact CD1-CD1 3.6Å; F25-I29 HydrophobicContact CD1-CG1 4.48Å; F25-I29 HydrophobicContact CE1-CD1 3.09Å; F25-I29 HydrophobicContact CE1-CG1 4.15Å; F25-I29 HydrophobicContact CE2-CD1 4.14Å; F25-I29 HydrophobicContact CE2-CG1 4.4Å; F25-I29 HydrophobicContact CG-CD1 4.34Å; F25-I29 HydrophobicContact CZ-CD1 3.4Å; F25-I29 VanDerWaalsContact CZ-CD1 3.4Å; F25-I29 HydrophobicContact CZ-CG1 4.09Å; F25-I29 WeakPolarHBondContact O-CG1 3.33Å; F25-I29 PolarHBondContact O-N 3.38Å; F25-M116 HydrophobicContact CB-CE 3.84Å; F25-M116 HydrophobicContact CB-SD 3.92Å; F25-M116 HydrophobicContact CD1-CB 3.5Å; F25-M116 HydrophobicContact CD1-SD 4.47Å; F25-M116 HydrophobicContact CD2-CB 4.42Å; F25-M116 HydrophobicContact CD2-CE 4.38Å; F25-M116 HydrophobicContact CE1-CB 3.59Å; F25-M116 HydrophobicContact CG-CB 3.92Å; F25-M116 HydrophobicContact CG-CE 4.11Å; F25-M116 HydrophobicContact CG-SD 4.26Å; F25-M116 HydrophobicContact CZ-CB 4.13Å; F25-F146 HydrophobicContact CD2-CE1 4.34Å; F25-F146 HydrophobicContact CD2-CZ 4.01Å; F25-F146 AromaticContact CE2-CE1 3.79Å; F25-F146 HydrophobicContact CE2-CE1 3.79Å; F25-F146 AromaticContact CE2-CZ 3.89Å; F25-F146 HydrophobicContact CE2-CZ 3.89Å; F25-F146 HydrophobicContact CZ-CE1 4Å; F25-F146 HydrophobicContact CZ-CZ 4.48Å; F25-L359 HydrophobicContact CD2-CD1 3.73Å; F25-L359 HydrophobicContact CE2-CD1 3.74Å
26N94.2Very high89.1Confident24 Ų2431.1 Ų31.113%0.12816%0.159CC..Hα-helixtrans-62.5-46.5174.2-73.8-25.7000110.9I22 D23 F28 I29 Q30 S120I22-N26 WeakPolarHBondContact CG2-ND2 3.42Å; I22-N26 WeakPolarHBondContact O-CB 3.45Å; I22-N26 PolarHBondContact O-N 3.14Å; I22-N26 PolarHBondContact O-ND2 2.93Å; D23-N26 PolarHBondContact O-N 3.46Å; N26-F28 VanDerWaalsContact C-N 3.29Å; N26-F28 PolarHBondContact O-N 3.45Å; N26-I29 PolarHBondContact O-N 3.41Å; N26-Q30 WeakPolarHBondContact O-CB 3.47Å; N26-Q30 VanDerWaalsContact O-CG 3.31Å; N26-Q30 WeakPolarHBondContact O-CG 3.36Å; N26-Q30 PolarHBondContact O-N 3.11Å; N26-S120 VanDerWaalsContact OD1-CB 3.32Å; N26-S120 WeakPolarHBondContact OD1-CB 3.48Å; N26-S120 PolarHBondContact OD1-N 3.06Å; N26-S120 PolarHBondContact OD1-OG 3.09Å
27H92.2Very high89.9Confident46 Ų4630.6 Ų30.621%0.21315%0.153CC..Hα-helixtrans-60.7-39.8174.8-178.379.2000111.9D23 I29 Q30 T31 E32 V494D23-H27 WeakPolarHBondContact O-CB 3.42Å; D23-H27 PolarHBondContact O-N 3.27Å; H27-I29 PolarHBondContact O-N 2.74Å; H27-Q30 PolarHBondContact O-N 3.45Å; H27-T31 WeakPolarHBondContact O-CB 3.42Å; H27-T31 PolarHBondContact O-N 3.14Å; H27-E32 IonicContact NE2-OE1 2.79Å; H27-E32 PolarHBondContact O-N 3Å; H27-V494 HydrophobicContact CB-CG1 3.71Å; H27-V494 WeakPolarHBondContact CD2-CG1 3.34Å
28F93.4Very high90.4Very high1 Ų137.5 Ų37.50%0.00418%0.178CC..Iπ-helixtrans-57.7-49.2174.6163.7-116.5000112.1S24 F25 N26 E32 I33 M113 L359 A360 F363S24-F28 PolarHBondContact O-N 2.92Å; F25-F28 HydrophobicContact CD2-CD1 4.12Å; F25-F28 HydrophobicContact CE2-CD1 4.15Å; F25-F28 HydrophobicContact CE2-CE1 4.48Å; F25-F28 WeakPolarHBondContact O-CB 3.37Å; F25-F28 PolarHBondContact O-N 2.93Å; N26-F28 VanDerWaalsContact C-N 3.29Å; N26-F28 PolarHBondContact O-N 3.45Å; F28-E32 HydrophobicContact CD2-CB 4Å; F28-E32 PolarHBondContact O-N 3.17Å; F28-I33 HydrophobicContact CE2-CB 4.3Å; F28-I33 WeakPolarHBondContact O-CB 3.48Å; F28-I33 PolarHBondContact O-N 3.49Å; F28-M113 HydrophobicContact CE1-CE 3.86Å; F28-M113 HydrophobicContact CE1-SD 4.27Å; F28-M113 HydrophobicContact CZ-CE 3.84Å; F28-L359 HydrophobicContact CD1-CB 4.19Å; F28-L359 HydrophobicContact CE1-CB 4Å; F28-L359 HydrophobicContact CZ-CB 4.32Å; F28-A360 HydrophobicContact CD2-CB 3.68Å; F28-A360 VanDerWaalsContact CE2-CA 3.48Å; F28-A360 HydrophobicContact CE2-CB 3.97Å; F28-F363 HydrophobicContact CE2-CB 4.23Å; F28-F363 HydrophobicContact CZ-CB 3.96Å; F28-F363 HydrophobicContact CZ-CG 4.26Å
29I93.1Very high90.5Very high13 Ų1340.6 Ų40.67%0.06720%0.204CC..Iπ-helixtrans-72.3-36.2-177.6-63165.3000112.6F25 N26 H27 I33 I59 I121F25-I29 HydrophobicContact CD1-CD1 3.6Å; F25-I29 HydrophobicContact CD1-CG1 4.48Å; F25-I29 HydrophobicContact CE1-CD1 3.09Å; F25-I29 HydrophobicContact CE1-CG1 4.15Å; F25-I29 HydrophobicContact CE2-CD1 4.14Å; F25-I29 HydrophobicContact CE2-CG1 4.4Å; F25-I29 HydrophobicContact CG-CD1 4.34Å; F25-I29 HydrophobicContact CZ-CD1 3.4Å; F25-I29 VanDerWaalsContact CZ-CD1 3.4Å; F25-I29 HydrophobicContact CZ-CG1 4.09Å; F25-I29 WeakPolarHBondContact O-CG1 3.33Å; F25-I29 PolarHBondContact O-N 3.38Å; N26-I29 PolarHBondContact O-N 3.41Å; H27-I29 PolarHBondContact O-N 2.74Å; I29-I33 WeakPolarHBondContact O-CG2 3.49Å; I29-I59 HydrophobicContact CG1-CD1 4.24Å; I29-I59 HydrophobicContact CG2-CD1 3.74Å; I29-I59 HydrophobicContact CG2-CG1 4.34Å; I29-I121 HydrophobicContact CD1-CD1 4.01Å; I29-I121 HydrophobicContact CD1-CG1 4.49Å; I29-I121 HydrophobicContact CG2-CD1 3.47Å; I29-I121 VanDerWaalsContact CG2-CD1 3.47Å
30Q92Very high90.6Very high113 Ų11338.9 Ų38.953%0.52820%0.199SC..Iπ-helixtrans-82.2-38.8-174.1-69176-4.500112.3N26 H27N26-Q30 WeakPolarHBondContact O-CB 3.47Å; N26-Q30 VanDerWaalsContact O-CG 3.31Å; N26-Q30 WeakPolarHBondContact O-CG 3.36Å; N26-Q30 PolarHBondContact O-N 3.11Å; H27-Q30 PolarHBondContact O-N 3.45Å
31T89.8Confident90.5Very high56 Ų5640.2 Ų40.234%0.34421%0.209SC..Iπ-helixtrans-116.7-60.1-169-54.90000111.7H27 I33 K34 N35H27-T31 WeakPolarHBondContact O-CB 3.42Å; H27-T31 PolarHBondContact O-N 3.14Å; T31-I33 PolarHBondContact O-N 3.41Å; T31-K34 WeakPolarHBondContact O-CB 3.37Å; T31-K34 PolarHBondContact O-N 3.28Å; T31-K34 VanDerWaalsContact O-N 3.13Å; T31-N35 PolarHBondContact O-N 2.68Å
32E88.9Confident90.3Very high47 Ų4747.1 Ų47.122%0.2224%0.235CC..Iπ-helixtrans-64.7-40.3-170.2-70.6-64.110400113.6H27 F28 K34 N35 I36 A360H27-E32 IonicContact NE2-OE1 2.79Å; H27-E32 PolarHBondContact O-N 3Å; F28-E32 HydrophobicContact CD2-CB 4Å; F28-E32 PolarHBondContact O-N 3.17Å; E32-K34 PolarHBondContact O-N 3.14Å; E32-N35 WeakPolarHBondContact O-CB 3.28Å; E32-N35 PolarHBondContact O-N 3.37Å; E32-N35 VanDerWaalsContact O-N 3.09Å; E32-N35 PolarHBondContact OE1-ND2 3.24Å; E32-I36 WeakPolarHBondContact O-CG1 3.49Å; E32-I36 PolarHBondContact O-N 2.91Å; E32-A360 HydrophobicContact CB-CB 4.47Å
33I91.7Very high89.9Confident2 Ų247 Ų471%0.0124%0.235CC..Hα-helixtrans-60.3-35.2179.1-156.7177.2000111.3F28 I29 T31 V37 I57 I59 M113 F363F28-I33 HydrophobicContact CE2-CB 4.3Å; F28-I33 WeakPolarHBondContact O-CB 3.48Å; F28-I33 PolarHBondContact O-N 3.49Å; I29-I33 WeakPolarHBondContact O-CG2 3.49Å; T31-I33 PolarHBondContact O-N 3.41Å; I33-V37 WeakPolarHBondContact O-CG2 3.41Å; I33-V37 PolarHBondContact O-N 2.9Å; I33-V37 VanDerWaalsContact O-N 3.16Å; I33-I57 HydrophobicContact CD1-CD1 3.77Å; I33-I57 HydrophobicContact CD1-CG1 4.35Å; I33-I57 HydrophobicContact CG1-CD1 3.95Å; I33-I57 HydrophobicContact CG2-CG2 4.12Å; I33-I59 HydrophobicContact CD1-CD1 3.89Å; I33-I59 HydrophobicContact CD1-CG1 4.44Å; I33-M113 HydrophobicContact CD1-CE 4.36Å; I33-F363 HydrophobicContact CD1-CD1 4.46Å; I33-F363 HydrophobicContact CD1-CE1 4.01Å; I33-F363 HydrophobicContact CD1-CE2 4.29Å; I33-F363 HydrophobicContact CD1-CZ 3.91Å; I33-F363 HydrophobicContact CG1-CD1 3.84Å; I33-F363 HydrophobicContact CG1-CE1 3.42Å; I33-F363 VanDerWaalsContact CG1-CE1 3.42Å; I33-F363 HydrophobicContact CG1-CZ 3.83Å
34K92Very high89.6Confident59 Ų5947.4 Ų47.426%0.25724%0.242SC..Hα-helixtrans-71.7-41.2175.9-62.9-168.7174.5-147.40110.8T31 E32 I36 V37 R38 D56 I57T31-K34 WeakPolarHBondContact O-CB 3.37Å; T31-K34 PolarHBondContact O-N 3.28Å; T31-K34 VanDerWaalsContact O-N 3.13Å; E32-K34 PolarHBondContact O-N 3.14Å; K34-I36 VanDerWaalsContact C-N 3.34Å; K34-I36 PolarHBondContact O-N 3.02Å; K34-V37 PolarHBondContact O-N 3.32Å; K34-R38 WeakPolarHBondContact O-CB 3.4Å; K34-R38 VanDerWaalsContact O-CG 3.27Å; K34-R38 WeakPolarHBondContact O-CG 3.5Å; K34-R38 PolarHBondContact O-N 3.2Å; K34-D56 WeakPolarHBondContact CE-OD1 3.41Å; K34-D56 IonicContact NZ-OD1 2.7Å; K34-D56 PolarHBondContact NZ-OD1 2.85Å; K34-D56 IonicContact NZ-OD2 2.77Å; K34-D56 PolarHBondContact NZ-OD2 3.4Å; K34-I57 HydrophobicContact CB-CG2 4.49Å; K34-I57 HydrophobicContact CG-CG2 3.87Å
35N88.5Confident89.1Confident64 Ų6447 Ų4734%0.34224%0.239SC..Hα-helixtrans-60-43.4175.2-66.6-17.3000111.6T31 E32 V37 R38 A39T31-N35 PolarHBondContact O-N 2.68Å; E32-N35 WeakPolarHBondContact O-CB 3.28Å; E32-N35 PolarHBondContact O-N 3.37Å; E32-N35 VanDerWaalsContact O-N 3.09Å; E32-N35 PolarHBondContact OE1-ND2 3.24Å; N35-V37 PolarHBondContact O-N 3.18Å; N35-R38 PolarHBondContact O-N 3.46Å; N35-A39 WeakPolarHBondContact O-CB 3.49Å; N35-A39 PolarHBondContact O-N 3.25Å
36I88.8Confident88.2Confident11 Ų1152.3 Ų52.36%0.05627%0.273CS..Hα-helixtrans-61.9-44.1177.1-69.7165000111.6E32 K34 A39 N40 A360 F363 E364 F367E32-I36 WeakPolarHBondContact O-CG1 3.49Å; E32-I36 PolarHBondContact O-N 2.91Å; K34-I36 VanDerWaalsContact C-N 3.34Å; K34-I36 PolarHBondContact O-N 3.02Å; I36-A39 PolarHBondContact O-N 3.04Å; I36-N40 PolarHBondContact O-N 3.28Å; I36-N40 PolarHBondContact O-ND2 3.45Å; I36-A360 HydrophobicContact CD1-CB 4.23Å; I36-A360 WeakPolarHBondContact CD1-O 3.43Å; I36-F363 HydrophobicContact CD1-CD1 4.07Å; I36-F363 HydrophobicContact CG2-CD1 4.03Å; I36-F363 HydrophobicContact CG2-CE1 4.14Å; I36-E364 HydrophobicContact CD1-CB 4.12Å; I36-E364 HydrophobicContact CG1-CB 4.3Å; I36-E364 HydrophobicContact CG1-CG 4.43Å; I36-E364 HydrophobicContact CG2-CB 4.07Å; I36-E364 HydrophobicContact CG2-CG 4.02Å; I36-F367 HydrophobicContact CG2-CD1 4.47Å
37V89.9Confident87.1Confident4 Ų459.4 Ų59.42%0.02431%0.306CS..Hα-helixtrans-68.2-43178.3173.20000110.9I33 K34 N35 A39 N40 S41 Y54 I57 F367I33-V37 WeakPolarHBondContact O-CG2 3.41Å; I33-V37 PolarHBondContact O-N 2.9Å; I33-V37 VanDerWaalsContact O-N 3.16Å; K34-V37 PolarHBondContact O-N 3.32Å; N35-V37 PolarHBondContact O-N 3.18Å; V37-A39 VanDerWaalsContact C-N 3.32Å; V37-A39 PolarHBondContact O-N 3.47Å; V37-N40 CarbonylContact O-C 3.5Å; V37-N40 PolarHBondContact O-N 2.89Å; V37-N40 VanDerWaalsContact O-N 3.1Å; V37-S41 VanDerWaalsContact O-CA 3.29Å; V37-S41 WeakPolarHBondContact O-CA 3.22Å; V37-S41 PolarHBondContact O-N 2.99Å; V37-Y54 HydrophobicContact CG1-CG 4.23Å; V37-I57 HydrophobicContact CB-CG2 4.28Å; V37-I57 HydrophobicContact CG2-CB 4.2Å; V37-I57 HydrophobicContact CG2-CD1 3.8Å; V37-I57 HydrophobicContact CG2-CG2 3.9Å; V37-F367 HydrophobicContact CG2-CE1 4.27Å; V37-F367 HydrophobicContact CG2-CE2 4.47Å; V37-F367 HydrophobicContact CG2-CZ 4.09Å
38R88.3Confident86Confident167 Ų16758.2 Ų58.263%0.6330%0.304SS*.Hα-helixtrans-59.8-41175-74.3174-176.2174.5-0.5112.2K34 N35 N40 S41K34-R38 WeakPolarHBondContact O-CB 3.4Å; K34-R38 VanDerWaalsContact O-CG 3.27Å; K34-R38 WeakPolarHBondContact O-CG 3.5Å; K34-R38 PolarHBondContact O-N 3.2Å; N35-R38 PolarHBondContact O-N 3.46Å; R38-N40 PolarHBondContact O-N 3.31Å; R38-S41 WeakPolarHBondContact O-CB 3.38Å; R38-S41 PolarHBondContact O-N 3.27Å
39A84.2Confident85.3Confident75 Ų7563.8 Ų63.862%0.6233%0.334SS*.Hα-helixtrans-65.1-24.3177.700000113.2N35 I36 V37N35-A39 WeakPolarHBondContact O-CB 3.49Å; N35-A39 PolarHBondContact O-N 3.25Å; I36-A39 PolarHBondContact O-N 3.04Å; V37-A39 VanDerWaalsContact C-N 3.32Å; V37-A39 PolarHBondContact O-N 3.47Å
40N86Confident84.6Confident38 Ų3863.9 Ų63.920%0.20333%0.333CS..THydrogen-bonded Turntrans-121.639.1179.1-56.1-79.1000110.9I36 V37 R38 R42 F367 K368I36-N40 PolarHBondContact O-N 3.28Å; I36-N40 PolarHBondContact O-ND2 3.45Å; V37-N40 CarbonylContact O-C 3.5Å; V37-N40 PolarHBondContact O-N 2.89Å; V37-N40 VanDerWaalsContact O-N 3.1Å; R38-N40 PolarHBondContact O-N 3.31Å; N40-R42 VanDerWaalsContact C-N 3.31Å; N40-R42 PolarHBondContact O-N 3.47Å; N40-F367 HydrophobicContact CB-CD1 4.31Å; N40-F367 HydrophobicContact CB-CE1 4.02Å; N40-K368 WeakPolarHBondContact OD1-CE 3.43Å
41S85.7Confident84.4Confident41 Ų4161 Ų6129%0.28732%0.318SS..  trans-63.9-32-166.9600000113.9V37 R38 E53 Y54V37-S41 VanDerWaalsContact O-CA 3.29Å; V37-S41 WeakPolarHBondContact O-CA 3.22Å; V37-S41 PolarHBondContact O-N 2.99Å; R38-S41 WeakPolarHBondContact O-CB 3.38Å; R38-S41 PolarHBondContact O-N 3.27Å; S41-E53 CarbonylContact O-C 3.57Å; S41-E53 VanDerWaalsContact O-CA 3.24Å; S41-E53 WeakPolarHBondContact O-CA 3.4Å; S41-Y54 WeakPolarHBondContact O-CD2 3.3Å; S41-Y54 PolarHBondContact O-N 2.96Å
42R86.2Confident84.3Confident148 Ų14858.4 Ų58.456%0.55830%0.302SS*.EExtended strand (participates in β ladder)trans-122.6128.3-171.6-166.3174.8-176.3-179.72.6113N40 L52N40-R42 VanDerWaalsContact C-N 3.31Å; N40-R42 PolarHBondContact O-N 3.47Å; R42-L52 CarbonylContact C-O 3.59Å; R42-L52 WeakPolarHBondContact CA-O 3.38Å
43V85.6Confident84.5Confident13 Ų1359.7 Ų59.78%0.07931%0.308CS..EExtended strand (participates in β ladder)trans-109.6122.1168.4-176.80000108.1W51 L52 Y54 N371 L374 W375V43-W51 CarbonylContact O-C 3.54Å; V43-W51 VanDerWaalsContact O-CA 3.24Å; V43-W51 WeakPolarHBondContact O-CA 3.34Å; V43-L52 PolarHBondContact N-O 3.36Å; V43-L52 PolarHBondContact O-N 2.97Å; V43-Y54 HydrophobicContact CG2-CE2 4.17Å; V43-N371 HydrophobicContact CG2-CB 3.94Å; V43-L374 HydrophobicContact CG1-CD2 3.99Å; V43-W375 HydrophobicContact CG1-CB 4.22Å
44S83.9Confident84.5Confident62 Ų6260 Ų6043%0.43431%0.309SS..EExtended strand (participates in β ladder)trans-124.9138.1-179.958.30000112W375S44-W375 PolarHBondContact O-NE1 2.96Å
45V81.1Confident84.4Confident3 Ų361.3 Ų61.32%0.01832%0.319CS..EExtended strand (participates in β ladder)trans-117.894.7172.2-177.20000107.1E47 A48 N49 W50 W375 V378 S379V45-E47 VanDerWaalsContact C-N 3.26Å; V45-E47 PolarHBondContact O-N 3.44Å; V45-A48 HydrophobicContact CB-CB 4.28Å; V45-A48 HydrophobicContact CG1-CB 3.83Å; V45-A48 PolarHBondContact O-N 3.31Å; V45-N49 PolarHBondContact O-N 3.07Å; V45-W50 HydrophobicContact CG2-CE3 4.24Å; V45-W50 PolarHBondContact N-O 2.93Å; V45-W50 PolarHBondContact O-N 2.97Å; V45-W375 HydrophobicContact CG2-CG 4.2Å; V45-V378 HydrophobicContact CB-CG1 4.27Å; V45-V378 HydrophobicContact CG2-CB 4.1Å; V45-V378 HydrophobicContact CG2-CG1 3.84Å; V45-S379 WeakPolarHBondContact CG1-OG 3.37Å
46P76.4Confident84.5Confident111 Ų11161.2 Ų61.272%0.72132%0.318SS*.G310 helixtrans-57.3-39-175.6-25.934.4000113A48 N49P46-A48 PolarHBondContact O-N 3.49Å; P46-N49 PolarHBondContact O-N 3.11Å
47E72Confident84.7Confident173 Ų17360.8 Ų60.881%0.80832%0.316SS*.G310 helixtrans-63.3-28.4-178.2-62.8179.3179.300113.3V45V45-E47 VanDerWaalsContact C-N 3.26Å; V45-E47 PolarHBondContact O-N 3.44Å
48A68.5Low84.8Confident22 Ų2264.6 Ų64.618%0.18233%0.331CS..G310 helixtrans-102.13.3-177.100000113.6V45 P46 W50V45-A48 HydrophobicContact CB-CB 4.28Å; V45-A48 HydrophobicContact CG1-CB 3.83Å; V45-A48 PolarHBondContact O-N 3.31Å; P46-A48 PolarHBondContact O-N 3.49Å; A48-W50 HydrophobicContact CB-CB 4.15Å; A48-W50 PolarHBondContact O-N 3.37Å
49N78.4Confident85Confident117 Ų11757.6 Ų57.663%0.62631%0.305SS*.THydrogen-bonded Turntrans44.643.4-168.5-165.122.8000112.7V45 P46V45-N49 PolarHBondContact O-N 3.07Å; P46-N49 PolarHBondContact O-N 3.11Å
50W79.8Confident85.2Confident15 Ų1558.6 Ų58.66%0.05730%0.296CS..EExtended strand (participates in β ladder)trans-124.4137-173.5-174.286.5000110.5V45 A48 L52 F96 V97 L374 V378 F390 I392V45-W50 HydrophobicContact CG2-CE3 4.24Å; V45-W50 PolarHBondContact N-O 2.93Å; V45-W50 PolarHBondContact O-N 2.97Å; A48-W50 HydrophobicContact CB-CB 4.15Å; A48-W50 PolarHBondContact O-N 3.37Å; W50-L52 HydrophobicContact CH2-CB 3.32Å; W50-L52 HydrophobicContact CH2-CD1 3.79Å; W50-L52 HydrophobicContact CH2-CG 4.21Å; W50-L52 HydrophobicContact CZ2-CB 3.83Å; W50-L52 HydrophobicContact CZ2-CD1 4.17Å; W50-L52 HydrophobicContact CZ3-CB 3.9Å; W50-F96 HydrophobicContact CZ2-CB 4.46Å; W50-V97 PolarHBondContact NE1-O 3.18Å; W50-L374 HydrophobicContact CH2-CD2 3.74Å; W50-L374 HydrophobicContact CZ3-CD2 3.85Å; W50-V378 HydrophobicContact CB-CG1 4.44Å; W50-V378 HydrophobicContact CD2-CG1 4.02Å; W50-V378 HydrophobicContact CE3-CB 4.47Å; W50-V378 HydrophobicContact CE3-CG1 3.86Å; W50-V378 HydrophobicContact CE3-CG2 4.2Å; W50-V378 HydrophobicContact CG-CG1 4.28Å; W50-V378 HydrophobicContact CH2-CG2 4.23Å; W50-V378 HydrophobicContact CZ3-CG1 4.49Å; W50-V378 HydrophobicContact CZ3-CG2 4.05Å; W50-F390 AromaticContact CE2-CE1 3.68Å; W50-F390 AromaticContact CZ2-CE1 3.71Å; W50-F390 HydrophobicContact CZ2-CE1 3.71Å; W50-F390 HydrophobicContact CZ2-CZ 4.31Å; W50-F390 AromaticContact NE1-CD1 3.74Å; W50-F390 AromaticContact NE1-CE1 3.49Å; W50-I392 HydrophobicContact CZ2-CD1 4.01Å; W50-I392 HydrophobicContact CZ2-CG1 3.97Å
51W87.1Confident85.3Confident53 Ų5360.3 Ų60.320%0.20131%0.309CS..EExtended strand (participates in β ladder)trans-143.4154.8171.559-93.4000111V43 E53 F96 V97 V102V43-W51 CarbonylContact O-C 3.54Å; V43-W51 VanDerWaalsContact O-CA 3.24Å; V43-W51 WeakPolarHBondContact O-CA 3.34Å; W51-E53 HydrophobicContact CE3-CB 4.13Å; W51-E53 HydrophobicContact CZ3-CB 3.89Å; W51-F96 WeakPolarHBondContact O-CA 3.17Å; W51-V97 HydrophobicContact CD2-CG2 4.01Å; W51-V97 HydrophobicContact CG-CG2 4.19Å; W51-V97 HydrophobicContact CZ2-CG2 3.78Å; W51-V97 PolarHBondContact O-N 2.87Å; W51-V102 HydrophobicContact CH2-CG1 4.08Å; W51-V102 HydrophobicContact CZ2-CG1 4.49Å; W51-V102 HydrophobicContact CZ2-CG2 4.13Å
52L88Confident85.5Confident1 Ų158.5 Ų58.51%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-130.8135.7173.2179161.1000108.7R42 V43 W50 Y54 V94 T95 F96 L374 I392R42-L52 CarbonylContact C-O 3.59Å; R42-L52 WeakPolarHBondContact CA-O 3.38Å; V43-L52 PolarHBondContact N-O 3.36Å; V43-L52 PolarHBondContact O-N 2.97Å; W50-L52 HydrophobicContact CH2-CB 3.32Å; W50-L52 HydrophobicContact CH2-CD1 3.79Å; W50-L52 HydrophobicContact CH2-CG 4.21Å; W50-L52 HydrophobicContact CZ2-CB 3.83Å; W50-L52 HydrophobicContact CZ2-CD1 4.17Å; W50-L52 HydrophobicContact CZ3-CB 3.9Å; L52-Y54 HydrophobicContact CD2-CD1 3.74Å; L52-Y54 HydrophobicContact CD2-CD2 4.02Å; L52-Y54 HydrophobicContact CD2-CE1 3.43Å; L52-Y54 VanDerWaalsContact CD2-CE1 3.43Å; L52-Y54 HydrophobicContact CD2-CE2 3.68Å; L52-Y54 HydrophobicContact CD2-CG 4.05Å; L52-V94 HydrophobicContact CD2-CG1 4.19Å; L52-V94 HydrophobicContact CG-CB 4.45Å; L52-T95 CarbonylContact C-O 3.57Å; L52-T95 WeakPolarHBondContact CA-O 3.47Å; L52-F96 HydrophobicContact CB-CB 4.39Å; L52-L374 HydrophobicContact CD1-CD1 4.44Å; L52-I392 HydrophobicContact CD1-CD1 3.61Å; L52-I392 HydrophobicContact CD1-CG1 4.32Å; L52-I392 HydrophobicContact CD1-CG2 4.2Å; L52-I392 HydrophobicContact CG-CD1 4.41Å
53E91.7Very high85.5Confident74 Ų7452.5 Ų52.535%0.34628%0.276SS..EExtended strand (participates in β ladder)trans-123.2135.7175.8173.8174.7-139.800110.6S41 W51 V94 T95S41-E53 CarbonylContact O-C 3.57Å; S41-E53 VanDerWaalsContact O-CA 3.24Å; S41-E53 WeakPolarHBondContact O-CA 3.4Å; W51-E53 HydrophobicContact CE3-CB 4.13Å; W51-E53 HydrophobicContact CZ3-CB 3.89Å; E53-V94 CarbonylContact O-C 3.57Å; E53-V94 WeakPolarHBondContact O-CA 3.22Å; E53-T95 WeakPolarHBondContact CB-OG1 3.27Å; E53-T95 PolarHBondContact N-O 2.71Å; E53-T95 PolarHBondContact O-N 2.68Å; E53-T95 PolarHBondContact O-OG1 3.04Å
54Y92Very high85.2Confident10 Ų1052.5 Ų52.54%0.03928%0.276CS..EExtended strand (participates in β ladder)trans-95.4117.8178-61.5-68.5000109.6V37 S41 V43 L52 V92 V94 F367 N371V37-Y54 HydrophobicContact CG1-CG 4.23Å; S41-Y54 WeakPolarHBondContact O-CD2 3.3Å; S41-Y54 PolarHBondContact O-N 2.96Å; V43-Y54 HydrophobicContact CG2-CE2 4.17Å; L52-Y54 HydrophobicContact CD2-CD1 3.74Å; L52-Y54 HydrophobicContact CD2-CD2 4.02Å; L52-Y54 HydrophobicContact CD2-CE1 3.43Å; L52-Y54 VanDerWaalsContact CD2-CE1 3.43Å; L52-Y54 HydrophobicContact CD2-CE2 3.68Å; L52-Y54 HydrophobicContact CD2-CG 4.05Å; Y54-V92 HydrophobicContact CD1-CG1 3.47Å; Y54-V92 VanDerWaalsContact CD1-CG1 3.47Å; Y54-V92 HydrophobicContact CE1-CG1 4.25Å; Y54-V92 HydrophobicContact CG-CG1 4.28Å; Y54-V94 HydrophobicContact CD1-CG1 3.66Å; Y54-V94 HydrophobicContact CE1-CG1 3.86Å; Y54-F367 HydrophobicContact CD2-CE1 4.41Å; Y54-F367 AromaticContact CD2-CZ 3.84Å; Y54-F367 HydrophobicContact CD2-CZ 3.84Å; Y54-F367 HydrophobicContact CE1-CZ 4.34Å; Y54-F367 HydrophobicContact CE2-CE1 4.28Å; Y54-F367 AromaticContact CE2-CZ 3.66Å; Y54-F367 HydrophobicContact CE2-CZ 3.66Å; Y54-F367 HydrophobicContact CG-CZ 4.29Å; Y54-F367 AromaticContact CZ-CZ 3.93Å; Y54-N371 PolarHBondContact OH-OD1 3Å
55N90.1Very high84.8Confident86 Ų8654.8 Ų54.846%0.4628%0.283SS..EExtended strand (participates in β ladder)trans-88.8-54.5-175.7-63.9-49.9000112.7D93 T95N55-D93 HydrophobicContact CB-CB 4.26Å; N55-D93 PolarHBondContact N-O 3.19Å; N55-T95 VanDerWaalsContact ND2-CG2 3.27Å; N55-T95 WeakPolarHBondContact ND2-CG2 3.34Å; N55-T95 PolarHBondContact ND2-OG1 3.17Å
56D90.6Very high84.1Confident62 Ų6257.9 Ų57.933%0.33230%0.3SS..EExtended strand (participates in β ladder)trans-149.6158.4177.5-160.912.2000110.6K34 V92 D93K34-D56 WeakPolarHBondContact CE-OD1 3.41Å; K34-D56 IonicContact NZ-OD1 2.7Å; K34-D56 PolarHBondContact NZ-OD1 2.85Å; K34-D56 IonicContact NZ-OD2 2.77Å; K34-D56 PolarHBondContact NZ-OD2 3.4Å; D56-V92 WeakPolarHBondContact O-CA 3.4Å; D56-V92 WeakPolarHBondContact O-CG1 3.47Å; D56-D93 PolarHBondContact O-N 3.41Å
57I92.7Very high83.4Confident2 Ų256 Ų561%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-128135.7-179.9-178.7161.8000109.7I33 K34 V37 I90 V92 I110 F363I33-I57 HydrophobicContact CD1-CD1 3.77Å; I33-I57 HydrophobicContact CD1-CG1 4.35Å; I33-I57 HydrophobicContact CG1-CD1 3.95Å; I33-I57 HydrophobicContact CG2-CG2 4.12Å; K34-I57 HydrophobicContact CB-CG2 4.49Å; K34-I57 HydrophobicContact CG-CG2 3.87Å; V37-I57 HydrophobicContact CB-CG2 4.28Å; V37-I57 HydrophobicContact CG2-CB 4.2Å; V37-I57 HydrophobicContact CG2-CD1 3.8Å; V37-I57 HydrophobicContact CG2-CG2 3.9Å; I57-I90 HydrophobicContact CD1-CG2 3.67Å; I57-I90 HydrophobicContact CG1-CG2 4.03Å; I57-V92 HydrophobicContact CB-CG2 4.26Å; I57-V92 HydrophobicContact CD1-CG2 3.99Å; I57-V92 HydrophobicContact CG1-CG2 3.99Å; I57-I110 HydrophobicContact CD1-CD1 4.38Å; I57-F363 HydrophobicContact CD1-CZ 3.98Å
58Y92.2Very high82.8Confident84 Ų8450.1 Ų50.133%0.32929%0.287SS..EExtended strand (participates in β ladder)trans-143.6152.4175.351.1-83.9000111L91 D93 G107Y58-L91 HydrophobicContact CD2-CB 3.9Å; Y58-L91 HydrophobicContact CD2-CD1 4.2Å; Y58-L91 HydrophobicContact CE1-CB 4.42Å; Y58-L91 HydrophobicContact CE2-CB 3.52Å; Y58-L91 HydrophobicContact CE2-CD1 3.53Å; Y58-L91 HydrophobicContact CE2-CG 4.14Å; Y58-L91 PolarHBondContact N-O 2.98Å; Y58-L91 PolarHBondContact O-N 3.43Å; Y58-L91 VanDerWaalsContact O-O 3.13Å; Y58-D93 WeakPolarHBondContact CE1-OD1 3.31Å; Y58-D93 PolarHBondContact OH-OD1 3.43Å; Y58-G107 WeakPolarHBondContact OH-CA 3.47Å; Y58-G107 PolarHBondContact OH-N 3.01Å
59I92.2Very high82.2Confident19 Ų1956.5 Ų56.510%0.09732%0.323CS..EExtended strand (participates in β ladder)trans-114.4124.5-178-55.3-178.6000108.3I29 I33 E89 M113 I115 I121I29-I59 HydrophobicContact CG1-CD1 4.24Å; I29-I59 HydrophobicContact CG2-CD1 3.74Å; I29-I59 HydrophobicContact CG2-CG1 4.34Å; I33-I59 HydrophobicContact CD1-CD1 3.89Å; I33-I59 HydrophobicContact CD1-CG1 4.44Å; I59-E89 WeakPolarHBondContact CA-O 3.46Å; I59-M113 HydrophobicContact CD1-CB 4.13Å; I59-M113 HydrophobicContact CD1-CG 4.06Å; I59-M113 HydrophobicContact CG2-CB 4.4Å; I59-I115 HydrophobicContact CG2-CD1 4.02Å; I59-I121 HydrophobicContact CB-CD1 3.97Å; I59-I121 HydrophobicContact CG2-CD1 4.27Å
60K90Very high81.4Confident96 Ų9656.8 Ų56.842%0.41733%0.328SS..PPolyproline II helixtrans-78.1154.3174.5-79.7-177.1174.1168.80111.6G88 E89 L91K60-G88 VanDerWaalsContact O-CA 3.23Å; K60-G88 WeakPolarHBondContact O-CA 3.24Å; K60-E89 HydrophobicContact CB-CB 4.31Å; K60-E89 PolarHBondContact N-O 3.12Å; K60-L91 HydrophobicContact CD-CD1 3.56Å; K60-L91 HydrophobicContact CG-CD1 3.86Å
61P88.1Confident80.7Confident74 Ų7457.8 Ų57.848%0.48134%0.34SS..PPolyproline II helixtrans-55.1154.7168.9-24.333.9000112.3T63P61-T63 PolarHBondContact O-N 2.92Å
62P89.3Confident80.2Confident3 Ų357.3 Ų57.32%0.01935%0.345CS..PPolyproline II helixtrans-60.2125.7-177.3-31.542.2000114.5Y86 A87 I115P62-Y86 HydrophobicContact CB-CD2 3.84Å; P62-Y86 HydrophobicContact CB-CE2 3.51Å; P62-Y86 HydrophobicContact CB-CG 4.47Å; P62-Y86 HydrophobicContact CG-CD1 4.25Å; P62-Y86 HydrophobicContact CG-CD2 4.12Å; P62-Y86 HydrophobicContact CG-CE1 3.79Å; P62-Y86 HydrophobicContact CG-CE2 3.64Å; P62-Y86 HydrophobicContact CG-CG 4.41Å; P62-Y86 VanDerWaalsContact CG-CZ 3.46Å; P62-A87 WeakPolarHBondContact CA-O 3.43Å; P62-I115 HydrophobicContact CG-CB 4.09Å; P62-I115 HydrophobicContact CG-CG1 3.76Å
63T85.3Confident79.9Confident23 Ų2368.1 Ų68.114%0.14139%0.385CS..EExtended strand (participates in β ladder)trans-132.2153.9176.952.30000110P61 A71 S72 R112P61-T63 PolarHBondContact O-N 2.92Å; T63-A71 HydrophobicContact CG2-CB 4.35Å; T63-S72 VanDerWaalsContact CA-O 3.31Å; T63-S72 WeakPolarHBondContact CA-O 3.41Å; T63-R112 PolarHBondContact O-NH2 3.3Å
64V80.7Confident79.7Confident13 Ų1364.9 Ų64.98%0.07937%0.371CS..EExtended strand (participates in β ladder)trans-128.2138.2173.5175.70000109.3S72 V74 L84V64-S72 PolarHBondContact N-O 2.98Å; V64-S72 PolarHBondContact O-N 3.41Å; V64-S72 PolarHBondContact O-OG 3.07Å; V64-V74 HydrophobicContact CB-CG2 3.55Å; V64-V74 HydrophobicContact CG2-CB 4.09Å; V64-V74 HydrophobicContact CG2-CG1 4.38Å; V64-V74 HydrophobicContact CG2-CG2 3.39Å; V64-L84 HydrophobicContact CG1-CD1 4.32Å; V64-L84 HydrophobicContact CG2-CD1 4.2Å
65N74.4Confident79.7Confident109 Ų10965.7 Ų65.758%0.58338%0.377SS*.  trans-93.397.7173.4-74.2-11.9000109G67 A71N65-G67 PolarHBondContact O-N 3.08Å; N65-G67 VanDerWaalsContact O-N 3.17Å; N65-A71 WeakPolarHBondContact OD1-CB 3.46Å
66D66.5Low79.9Confident69 Ų6961.6 Ų61.637%0.36936%0.355SS..  trans-8228176.2-68.7-43.3000112.3G68 S72 R82D66-G68 VanDerWaalsContact C-N 3.27Å; D66-G68 PolarHBondContact O-N 3.34Å; D66-S72 PolarHBondContact OD2-OG 2.86Å; D66-S72 VanDerWaalsContact OD2-OG 3.1Å; D66-R82 IonicContact OD1-CZ 3.8Å; D66-R82 IonicContact OD1-NH1 2.98Å; D66-R82 PolarHBondContact OD1-NH1 2.72Å; D66-R82 IonicContact OD1-NH2 2.88Å; D66-R82 PolarHBondContact OD1-NH2 2.97Å; D66-R82 IonicContact OD2-NH1 3.46Å; D66-R82 PolarHBondContact OD2-NH1 2.98Å
67G62.3Low80Confident72 Ų7258.8 Ų58.874%0.74234%0.34SS*.SBendtrans79.6-2.4-177.100000115.7N65N65-G67 PolarHBondContact O-N 3.08Å; N65-G67 VanDerWaalsContact O-N 3.17Å
68G59Low80Confident49 Ų4961.3 Ų61.351%0.50535%0.353SS..SBendtrans-82.5164.7170.400000113.5D66 V70D66-G68 VanDerWaalsContact C-N 3.27Å; D66-G68 PolarHBondContact O-N 3.34Å; G68-V70 PolarHBondContact O-N 3.39Å
69V55Low80Confident156 Ų15657.4 Ų57.495%0.94534%0.338SS*.SBendtrans-64.4-25.9175.2-178.10000111.9
70V61.8Low80Confident122 Ų12257.2 Ų57.274%0.73934%0.336SS*.SBendtrans-110.2122.2-176.9-175.70000109.9G68 S72G68-V70 PolarHBondContact O-N 3.39Å; V70-S72 PolarHBondContact O-N 3.36Å
71A66.9Low80.2Confident36 Ų3654.1 Ų54.130%0.29832%0.324SS..PPolyproline II helixtrans-65.2124.9172.600000110.2T63 N65T63-A71 HydrophobicContact CG2-CB 4.35Å; N65-A71 WeakPolarHBondContact OD1-CB 3.46Å
72S75.1Confident80.3Confident43 Ų4352.3 Ų52.330%0.30131%0.307SS..EExtended strand (participates in β ladder)trans-79.4141.4178.864.40000110T63 V64 D66 V70T63-S72 VanDerWaalsContact CA-O 3.31Å; T63-S72 WeakPolarHBondContact CA-O 3.41Å; V64-S72 PolarHBondContact N-O 2.98Å; V64-S72 PolarHBondContact O-N 3.41Å; V64-S72 PolarHBondContact O-OG 3.07Å; D66-S72 PolarHBondContact OD2-OG 2.86Å; D66-S72 VanDerWaalsContact OD2-OG 3.1Å; V70-S72 PolarHBondContact O-N 3.36Å
73R81.4Confident80.3Confident228 Ų22853 Ų5386%0.8631%0.311SS*.EExtended strand (participates in β ladder)trans-74.3131.2169.5-70-175.8-179.1-177.21108.2
74V88Confident80.6Confident7 Ų752 Ų524%0.04231%0.305CS..  trans-114.8138.3-174.6-177.80000110.8V64 D78 C79V64-V74 HydrophobicContact CB-CG2 3.55Å; V64-V74 HydrophobicContact CG2-CB 4.09Å; V64-V74 HydrophobicContact CG2-CG1 4.38Å; V64-V74 HydrophobicContact CG2-CG2 3.39Å; V74-D78 HydrophobicContact CG1-CB 3.78Å; V74-C79 WeakPolarHBondContact CG1-SG 3.35Å
75T92.2Very high81.2Confident26 Ų2651.7 Ų51.716%0.1630%0.303CS..  trans-88.4155.6173.8730000110.9H77 D78 C79 L135T75-H77 PolarHBondContact O-N 2.84Å; T75-D78 WeakPolarHBondContact CB-OD2 3.44Å; T75-D78 PolarHBondContact N-OD2 3.48Å; T75-D78 PolarHBondContact O-N 3.38Å; T75-D78 VanDerWaalsContact O-N 3.15Å; T75-D78 PolarHBondContact OG1-N 3.38Å; T75-D78 PolarHBondContact OG1-OD2 2.88Å; T75-C79 PolarHBondContact O-N 2.89Å; T75-C79 VanDerWaalsContact O-N 3.14Å; T75-L135 HydrophobicContact CG2-CD2 3.97Å
76P93.6Very high82.2Confident0 Ų046.6 Ų46.60%028%0.276CS..Hα-helixtrans-58.8-31.2174.1-25.636.3000113.2C79 R80 Y86 L117 L124 I147P76-C79 PolarHBondContact O-N 3.16Å; P76-R80 WeakPolarHBondContact O-CG 3.39Å; P76-R80 PolarHBondContact O-N 3.33Å; P76-R80 PolarHBondContact O-NH1 3.2Å; P76-Y86 HydrophobicContact CG-CD2 4.33Å; P76-Y86 HydrophobicContact CG-CE1 4.28Å; P76-Y86 HydrophobicContact CG-CE2 3.89Å; P76-L117 HydrophobicContact CB-CD2 3.88Å; P76-L117 HydrophobicContact CB-CG 4.22Å; P76-L117 HydrophobicContact CG-CD2 4.32Å; P76-L117 HydrophobicContact CG-CG 4.27Å; P76-L124 HydrophobicContact CG-CD1 3.96Å; P76-L124 HydrophobicContact CG-CD2 4.47Å; P76-L124 HydrophobicContact CG-CG 4.12Å; P76-I147 HydrophobicContact CB-CD1 3.72Å
77H93.8Very high83.5Confident4 Ų443.4 Ų43.42%0.01926%0.259CS..Hα-helixtrans-63.1-46.3175.1-172.367.4000111.7T75 C79 R80 L81 K136 E137T75-H77 PolarHBondContact O-N 2.84Å; H77-C79 VanDerWaalsContact C-N 3.31Å; H77-C79 PolarHBondContact O-N 2.62Å; H77-R80 PolarHBondContact O-N 3Å; H77-R80 VanDerWaalsContact O-N 3.16Å; H77-L81 WeakPolarHBondContact NE2-CD1 3.42Å; H77-L81 WeakPolarHBondContact O-CG 3.21Å; H77-L81 PolarHBondContact O-N 3.05Å; H77-L81 VanDerWaalsContact O-N 3.09Å; H77-K136 HydrophobicContact CB-CB 4.33Å; H77-E137 PolarHBondContact N-OE1 2.84Å
78D91.4Very high84.9Confident55 Ų5540 Ų4029%0.29422%0.224SC..Hα-helixtrans-60.2-41.8176.4-56.5-38.3000111.1V74 T75 R80 L81 R82V74-D78 HydrophobicContact CG1-CB 3.78Å; T75-D78 WeakPolarHBondContact CB-OD2 3.44Å; T75-D78 PolarHBondContact N-OD2 3.48Å; T75-D78 PolarHBondContact O-N 3.38Å; T75-D78 VanDerWaalsContact O-N 3.15Å; T75-D78 PolarHBondContact OG1-N 3.38Å; T75-D78 PolarHBondContact OG1-OD2 2.88Å; D78-R80 VanDerWaalsContact C-N 3.33Å; D78-R80 PolarHBondContact O-N 2.72Å; D78-L81 PolarHBondContact O-N 3.43Å; D78-R82 VanDerWaalsContact O-CB 3.32Å; D78-R82 WeakPolarHBondContact O-CB 3.48Å; D78-R82 VanDerWaalsContact O-CG 3.25Å; D78-R82 WeakPolarHBondContact O-CG 3.46Å; D78-R82 PolarHBondContact O-N 3.29Å
79C93Very high86.5Confident1 Ų139.2 Ų39.21%0.00721%0.207CC..Hα-helixtrans-59.9-39.9176.5-68.60000113.1V74 T75 P76 H77 D83 L84 I147V74-C79 WeakPolarHBondContact CG1-SG 3.35Å; T75-C79 PolarHBondContact O-N 2.89Å; T75-C79 VanDerWaalsContact O-N 3.14Å; P76-C79 PolarHBondContact O-N 3.16Å; H77-C79 VanDerWaalsContact C-N 3.31Å; H77-C79 PolarHBondContact O-N 2.62Å; C79-D83 PolarHBondContact O-N 3.41Å; C79-L84 HydrophobicContact CB-CB 4.37Å; C79-L84 PolarHBondContact O-N 3.15Å; C79-I147 HydrophobicContact CB-CG2 4.01Å
80R93.3Very high88.4Confident16 Ų1631.8 Ų31.86%0.0616%0.162CC..Hα-helixtrans-67-40.8176.8-65.3-173.6-157.986.7-14112P76 H77 D78 E137 Y145 I147 E152 K879P76-R80 WeakPolarHBondContact O-CG 3.39Å; P76-R80 PolarHBondContact O-N 3.33Å; P76-R80 PolarHBondContact O-NH1 3.2Å; H77-R80 PolarHBondContact O-N 3Å; H77-R80 VanDerWaalsContact O-N 3.16Å; D78-R80 VanDerWaalsContact C-N 3.33Å; D78-R80 PolarHBondContact O-N 2.72Å; R80-E137 IonicContact CZ-OE1 2.65Å; R80-E137 VanDerWaalsContact CZ-OE1 3.26Å; R80-E137 IonicContact NH1-OE1 3.67Å; R80-E137 PolarHBondContact NH1-OE1 3.45Å; R80-E137 IonicContact NH1-OE2 3.85Å; R80-E137 IonicContact NH2-OE1 2.8Å; R80-E137 PolarHBondContact NH2-OE1 3.13Å; R80-E137 IonicContact NH2-OE2 3.15Å; R80-E137 PolarHBondContact NH2-OE2 3.06Å; R80-Y145 PolarHBondContact NH2-OH 2.91Å; R80-I147 HydrophobicContact CG-CD1 3.86Å; R80-I147 HydrophobicContact CG-CG1 4.41Å; R80-I147 HydrophobicContact CG-CG2 4.23Å; R80-E152 WeakPolarHBondContact CD-OE1 3.49Å; R80-E152 IonicContact CZ-OE1 2.71Å; R80-E152 IonicContact NE-OE1 3.22Å; R80-E152 PolarHBondContact NE-OE1 3.11Å; R80-E152 IonicContact NH2-OE1 3.05Å; R80-K879 PolarHBondContact O-NZ 3.21Å
81L92.4Very high89.9Confident30 Ų3026.4 Ų26.416%0.15713%0.129CC..Hα-helixtrans-69.8-44-179.8-68.3-174.4000111.9H77 D78 D83 F693 M867 K879H77-L81 WeakPolarHBondContact NE2-CD1 3.42Å; H77-L81 WeakPolarHBondContact O-CG 3.21Å; H77-L81 PolarHBondContact O-N 3.05Å; H77-L81 VanDerWaalsContact O-N 3.09Å; D78-L81 PolarHBondContact O-N 3.43Å; L81-D83 VanDerWaalsContact C-N 3.33Å; L81-D83 PolarHBondContact O-N 3.31Å; L81-F693 HydrophobicContact CD2-CB 4.24Å; L81-F693 HydrophobicContact CD2-CD2 3.42Å; L81-F693 VanDerWaalsContact CD2-CD2 3.42Å; L81-F693 HydrophobicContact CD2-CE2 4.14Å; L81-F693 HydrophobicContact CD2-CG 4.2Å; L81-M867 HydrophobicContact CB-CE 4.12Å; L81-M867 WeakPolarHBondContact O-CE 3.42Å; L81-K879 WeakPolarHBondContact O-CE 3.39Å; L81-K879 PolarHBondContact O-NZ 2.94Å
82R90.2Very high91.1Very high36 Ų3624.7 Ų24.714%0.13612%0.115CC..THydrogen-bonded Turntrans-86.11.1-174.2-59.6-172.857.4-166.5-6.6114.6D66 D78 L84 S869 T870 S871D66-R82 IonicContact OD1-CZ 3.8Å; D66-R82 IonicContact OD1-NH1 2.98Å; D66-R82 PolarHBondContact OD1-NH1 2.72Å; D66-R82 IonicContact OD1-NH2 2.88Å; D66-R82 PolarHBondContact OD1-NH2 2.97Å; D66-R82 IonicContact OD2-NH1 3.46Å; D66-R82 PolarHBondContact OD2-NH1 2.98Å; D78-R82 VanDerWaalsContact O-CB 3.32Å; D78-R82 WeakPolarHBondContact O-CB 3.48Å; D78-R82 VanDerWaalsContact O-CG 3.25Å; D78-R82 WeakPolarHBondContact O-CG 3.46Å; D78-R82 PolarHBondContact O-N 3.29Å; R82-L84 HydrophobicContact CB-CD1 3.71Å; R82-L84 HydrophobicContact CB-CD2 4.41Å; R82-L84 HydrophobicContact CB-CG 3.57Å; R82-L84 HydrophobicContact CG-CD1 4.36Å; R82-L84 PolarHBondContact O-N 2.87Å; R82-S869 WeakPolarHBondContact CG-OG 3.48Å; R82-T870 PolarHBondContact NE-O 3.46Å; R82-T870 PolarHBondContact NH2-O 3.17Å; R82-T870 VanDerWaalsContact NH2-O 3.17Å; R82-T870 PolarHBondContact NH2-OG1 2.85Å; R82-S871 PolarHBondContact O-OG 2.96Å
83D90.9Very high92Very high18 Ų1824 Ų2410%0.09611%0.108CC..THydrogen-bonded Turntrans54.534.2-170-61.3-39.6000113.7C79 L81 G149 H766 K879C79-D83 PolarHBondContact O-N 3.41Å; L81-D83 VanDerWaalsContact C-N 3.33Å; L81-D83 PolarHBondContact O-N 3.31Å; D83-G149 CarbonylContact O-C 3.16Å; D83-G149 WeakPolarHBondContact O-CA 3.44Å; D83-H766 IonicContact OD2-CE1 3.09Å; D83-H766 IonicContact OD2-NE2 3.8Å; D83-K879 IonicContact OD1-NZ 2.96Å; D83-K879 PolarHBondContact OD1-NZ 3.13Å; D83-K879 WeakPolarHBondContact OD2-CE 3.48Å; D83-K879 IonicContact OD2-NZ 3.42Å; D83-K879 PolarHBondContact OD2-NZ 3.39Å
84L91.3Very high92.4Very high1 Ų113.2 Ų13.21%0.0057%0.067CC..  trans-88.8164.6177.6-55.6173000110.9V64 C79 R82 G150 E872V64-L84 HydrophobicContact CG1-CD1 4.32Å; V64-L84 HydrophobicContact CG2-CD1 4.2Å; C79-L84 HydrophobicContact CB-CB 4.37Å; C79-L84 PolarHBondContact O-N 3.15Å; R82-L84 HydrophobicContact CB-CD1 3.71Å; R82-L84 HydrophobicContact CB-CD2 4.41Å; R82-L84 HydrophobicContact CB-CG 3.57Å; R82-L84 HydrophobicContact CG-CD1 4.36Å; R82-L84 PolarHBondContact O-N 2.87Å; L84-G150 PolarHBondContact O-N 3.22Å; L84-G150 VanDerWaalsContact O-N 3.11Å; L84-E872 HydrophobicContact CD2-CB 4.35Å; L84-E872 HydrophobicContact CD2-CG 3.4Å
85T93.5Very high92.5Very high8 Ų813.6 Ų13.65%0.0497%0.069CC..  trans-94.2128.7169.8-59.50000110.2A87 I148 G149T85-A87 HydrophobicContact CG2-CB 4.16Å; T85-A87 PolarHBondContact O-N 2.94Å; T85-I148 HydrophobicContact CG2-CB 4.42Å; T85-I148 HydrophobicContact CG2-CG1 4.08Å; T85-I148 HydrophobicContact CG2-CG2 4.38Å; T85-G149 PolarHBondContact OG1-N 3.11Å
86Y94.7Very high92.3Very high1 Ų112.6 Ų12.60%0.0046%0.063CC..  trans-79.290.3176.2-173-111.9000109.6P62 P76 I115 L117 C122 V123 I147P62-Y86 HydrophobicContact CB-CD2 3.84Å; P62-Y86 HydrophobicContact CB-CE2 3.51Å; P62-Y86 HydrophobicContact CB-CG 4.47Å; P62-Y86 HydrophobicContact CG-CD1 4.25Å; P62-Y86 HydrophobicContact CG-CD2 4.12Å; P62-Y86 HydrophobicContact CG-CE1 3.79Å; P62-Y86 HydrophobicContact CG-CE2 3.64Å; P62-Y86 HydrophobicContact CG-CG 4.41Å; P62-Y86 VanDerWaalsContact CG-CZ 3.46Å; P76-Y86 HydrophobicContact CG-CD2 4.33Å; P76-Y86 HydrophobicContact CG-CE1 4.28Å; P76-Y86 HydrophobicContact CG-CE2 3.89Å; Y86-I115 HydrophobicContact CD1-CB 3.97Å; Y86-I115 HydrophobicContact CD1-CG2 4.45Å; Y86-I115 WeakPolarHBondContact CD1-O 3.47Å; Y86-I115 HydrophobicContact CE1-CB 3.9Å; Y86-I115 HydrophobicContact CE1-CG2 3.93Å; Y86-I115 PolarHBondContact O-N 3.35Å; Y86-L117 HydrophobicContact CD1-CD1 4.18Å; Y86-C122 PolarHBondContact OH-SG 3.48Å; Y86-C122 VanDerWaalsContact OH-SG 3.38Å; Y86-V123 PolarHBondContact OH-N 2.92Å; Y86-I147 PolarHBondContact N-O 2.84Å
87A93.9Very high91.7Very high2 Ų213.4 Ų13.42%0.0177%0.068CC..EExtended strand (participates in β ladder)trans-133.4142.6-173.400000113.3P62 T85 R112 M113P62-A87 WeakPolarHBondContact CA-O 3.43Å; T85-A87 HydrophobicContact CG2-CB 4.16Å; T85-A87 PolarHBondContact O-N 2.94Å; A87-R112 HydrophobicContact CB-CB 4.08Å; A87-M113 CarbonylContact C-O 3.56Å; A87-M113 WeakPolarHBondContact CA-O 3.25Å; A87-M113 WeakPolarHBondContact CB-O 3.29Å
88G92.2Very high90.8Very high0 Ų017.8 Ų17.80%08%0.084CC..EExtended strand (participates in β ladder)trans-96.9154173.400000112.3K60 R112 M113K60-G88 VanDerWaalsContact O-CA 3.23Å; K60-G88 WeakPolarHBondContact O-CA 3.24Å; G88-R112 CarbonylContact O-C 3.34Å; G88-R112 VanDerWaalsContact O-CA 3.22Å; G88-R112 WeakPolarHBondContact O-CA 3.29Å; G88-M113 PolarHBondContact N-O 2.66Å; G88-M113 PolarHBondContact O-N 2.91Å
89E92.4Very high89.7Confident34 Ų3421.8 Ų21.816%0.15910%0.101CC..EExtended strand (participates in β ladder)trans-76.5129.6177.4-66.7176.6165.400111.2I59 K60 L91 L109I59-E89 WeakPolarHBondContact CA-O 3.46Å; K60-E89 HydrophobicContact CB-CB 4.31Å; K60-E89 PolarHBondContact N-O 3.12Å; E89-L91 HydrophobicContact CB-CD2 4.48Å; E89-L109 HydrophobicContact CB-CD1 3.73Å; E89-L109 HydrophobicContact CG-CD1 4.01Å
90I93.8Very high88.7Confident0 Ų028.2 Ų28.20%014%0.135CC..EExtended strand (participates in β ladder)trans-90.6113.7174-49.9173000108.1I57 I110 G111 M113 F363 I401I57-I90 HydrophobicContact CD1-CG2 3.67Å; I57-I90 HydrophobicContact CG1-CG2 4.03Å; I90-I110 HydrophobicContact CB-CD1 4.42Å; I90-I110 HydrophobicContact CB-CG1 3.86Å; I90-I110 HydrophobicContact CG2-CD1 3.64Å; I90-I110 HydrophobicContact CG2-CG1 3.58Å; I90-I110 PolarHBondContact O-N 3.2Å; I90-G111 WeakPolarHBondContact CB-O 3.19Å; I90-G111 PolarHBondContact N-O 2.9Å; I90-M113 HydrophobicContact CD1-CB 3.85Å; I90-M113 HydrophobicContact CD1-CE 4.13Å; I90-M113 HydrophobicContact CG1-CB 3.74Å; I90-F363 HydrophobicContact CD1-CE2 4.18Å; I90-I401 HydrophobicContact CD1-CG2 4.17Å
91L93.3Very high88.1Confident8 Ų834 Ų344%0.04216%0.163CC..EExtended strand (participates in β ladder)trans-112.7139.2-178.7-60.4-178.2000110.2Y58 K60 E89 V108 L109Y58-L91 HydrophobicContact CD2-CB 3.9Å; Y58-L91 HydrophobicContact CD2-CD1 4.2Å; Y58-L91 HydrophobicContact CE1-CB 4.42Å; Y58-L91 HydrophobicContact CE2-CB 3.52Å; Y58-L91 HydrophobicContact CE2-CD1 3.53Å; Y58-L91 HydrophobicContact CE2-CG 4.14Å; Y58-L91 PolarHBondContact N-O 2.98Å; Y58-L91 PolarHBondContact O-N 3.43Å; Y58-L91 VanDerWaalsContact O-O 3.13Å; K60-L91 HydrophobicContact CD-CD1 3.56Å; K60-L91 HydrophobicContact CG-CD1 3.86Å; E89-L91 HydrophobicContact CB-CD2 4.48Å; L91-V108 WeakPolarHBondContact CA-O 3.47Å; L91-L109 HydrophobicContact CD2-CB 3.98Å; L91-L109 HydrophobicContact CD2-CD1 3.97Å
92V92.6Very high87.7Confident0 Ų037.1 Ų37.10%018%0.183CC..EExtended strand (participates in β ladder)trans-130.7140.4179.8-173.40000110.2Y54 D56 I57 V94 V108 I110Y54-V92 HydrophobicContact CD1-CG1 3.47Å; Y54-V92 VanDerWaalsContact CD1-CG1 3.47Å; Y54-V92 HydrophobicContact CE1-CG1 4.25Å; Y54-V92 HydrophobicContact CG-CG1 4.28Å; D56-V92 WeakPolarHBondContact O-CA 3.4Å; D56-V92 WeakPolarHBondContact O-CG1 3.47Å; I57-V92 HydrophobicContact CB-CG2 4.26Å; I57-V92 HydrophobicContact CD1-CG2 3.99Å; I57-V92 HydrophobicContact CG1-CG2 3.99Å; V92-V94 HydrophobicContact CG1-CG1 4.1Å; V92-V108 PolarHBondContact N-O 3.47Å; V92-V108 WeakPolarHBondContact O-CB 3.4Å; V92-V108 PolarHBondContact O-N 2.98Å; V92-I110 HydrophobicContact CB-CG2 4.29Å; V92-I110 HydrophobicContact CG2-CD1 3.46Å; V92-I110 VanDerWaalsContact CG2-CD1 3.46Å; V92-I110 HydrophobicContact CG2-CG1 3.83Å; V92-I110 HydrophobicContact CG2-CG2 3.97Å
93D93.1Very high87.5Confident29 Ų2937.4 Ų37.416%0.15519%0.189CC..EExtended strand (participates in β ladder)trans-91.6121171.9-70.6-2.5000108.8N55 D56 Y58 K106 G107N55-D93 HydrophobicContact CB-CB 4.26Å; N55-D93 PolarHBondContact N-O 3.19Å; D56-D93 PolarHBondContact O-N 3.41Å; Y58-D93 WeakPolarHBondContact CE1-OD1 3.31Å; Y58-D93 PolarHBondContact OH-OD1 3.43Å; D93-K106 VanDerWaalsContact OD1-CA 3.25Å; D93-K106 WeakPolarHBondContact OD1-CA 3.3Å; D93-G107 PolarHBondContact OD1-N 3.25Å
94V90.7Very high87.3Confident2 Ų240.7 Ų40.71%0.01221%0.213CC..EExtended strand (participates in β ladder)trans-120.3140.7-173.7-64.20000112.1L52 E53 Y54 V92 F96 S104 K105 V108L52-V94 HydrophobicContact CD2-CG1 4.19Å; L52-V94 HydrophobicContact CG-CB 4.45Å; E53-V94 CarbonylContact O-C 3.57Å; E53-V94 WeakPolarHBondContact O-CA 3.22Å; Y54-V94 HydrophobicContact CD1-CG1 3.66Å; Y54-V94 HydrophobicContact CE1-CG1 3.86Å; V92-V94 HydrophobicContact CG1-CG1 4.1Å; V94-F96 HydrophobicContact CG2-CD1 4.43Å; V94-S104 CarbonylContact O-C 3.57Å; V94-S104 WeakPolarHBondContact O-CA 3.36Å; V94-K105 HydrophobicContact CG2-CB 4.12Å; V94-K105 PolarHBondContact N-O 3.25Å; V94-K105 PolarHBondContact O-N 3.39Å; V94-V108 HydrophobicContact CG2-CB 4.44Å; V94-V108 HydrophobicContact CG2-CG2 3.68Å
95T90.8Very high87.1Confident14 Ų1444.1 Ų44.19%0.08623%0.228CC..EExtended strand (participates in β ladder)trans-111.8129.3168.834.70000108.4L52 E53 N55 V103 S104L52-T95 CarbonylContact C-O 3.57Å; L52-T95 WeakPolarHBondContact CA-O 3.47Å; E53-T95 WeakPolarHBondContact CB-OG1 3.27Å; E53-T95 PolarHBondContact N-O 2.71Å; E53-T95 PolarHBondContact O-N 2.68Å; E53-T95 PolarHBondContact O-OG1 3.04Å; N55-T95 VanDerWaalsContact ND2-CG2 3.27Å; N55-T95 WeakPolarHBondContact ND2-CG2 3.34Å; N55-T95 PolarHBondContact ND2-OG1 3.17Å; T95-V103 WeakPolarHBondContact CA-O 3.22Å; T95-S104 WeakPolarHBondContact CG2-OG 3.2Å
96F86.4Confident86.9Confident6 Ų652 Ų523%0.02626%0.261CS..EExtended strand (participates in β ladder)trans-150.4161.4-177.169.4-81.3000112.8W50 W51 L52 V94 R98 V103 K105 I392W50-F96 HydrophobicContact CZ2-CB 4.46Å; W51-F96 WeakPolarHBondContact O-CA 3.17Å; L52-F96 HydrophobicContact CB-CB 4.39Å; V94-F96 HydrophobicContact CG2-CD1 4.43Å; F96-R98 HydrophobicContact CD2-CB 4.41Å; F96-R98 HydrophobicContact CE2-CB 3.98Å; F96-V103 HydrophobicContact CD1-CB 4.45Å; F96-V103 VanDerWaalsContact CD1-O 3.3Å; F96-V103 WeakPolarHBondContact CD1-O 3.48Å; F96-V103 HydrophobicContact CE1-CB 4.08Å; F96-V103 HydrophobicContact CE1-CG1 4.03Å; F96-V103 HydrophobicContact CZ-CB 4.15Å; F96-V103 HydrophobicContact CZ-CG1 4.15Å; F96-V103 PolarHBondContact N-O 3.21Å; F96-V103 PolarHBondContact O-N 3.46Å; F96-K105 HydrophobicContact CE1-CB 4.28Å; F96-I392 HydrophobicContact CB-CD1 3.41Å; F96-I392 VanDerWaalsContact CB-CD1 3.41Å; F96-I392 HydrophobicContact CD1-CD1 3.28Å; F96-I392 HydrophobicContact CD2-CD1 3.33Å; F96-I392 HydrophobicContact CD2-CG1 3.98Å; F96-I392 HydrophobicContact CE1-CD1 3.72Å; F96-I392 HydrophobicContact CE2-CD1 3.76Å; F96-I392 HydrophobicContact CE2-CG1 4.11Å; F96-I392 HydrophobicContact CG-CD1 3.05Å; F96-I392 HydrophobicContact CG-CG1 4.18Å; F96-I392 HydrophobicContact CZ-CD1 3.94Å; F96-I392 HydrophobicContact CZ-CG1 4.44Å
97V82.5Confident86.6Confident17 Ų1753.3 Ų53.310%0.10328%0.276CS..EExtended strand (participates in β ladder)trans-90.3124.9176.9-175.40000111W50 W51 E101W50-V97 PolarHBondContact NE1-O 3.18Å; W51-V97 HydrophobicContact CD2-CG2 4.01Å; W51-V97 HydrophobicContact CG-CG2 4.19Å; W51-V97 HydrophobicContact CZ2-CG2 3.78Å; W51-V97 PolarHBondContact O-N 2.87Å; V97-E101 CarbonylContact C-O 3.5Å; V97-E101 WeakPolarHBondContact CA-O 3.5Å
98R74.1Confident86.4Confident95 Ų9553.7 Ų53.736%0.35828%0.278SS..EExtended strand (participates in β ladder)trans-121.7112171.4178.4-178.5167.1178.1-3.1108.4F96 N100 E101 V103 P389F96-R98 HydrophobicContact CD2-CB 4.41Å; F96-R98 HydrophobicContact CE2-CB 3.98Å; R98-N100 VanDerWaalsContact C-N 3.29Å; R98-N100 PolarHBondContact O-N 3.5Å; R98-E101 PolarHBondContact N-O 3.11Å; R98-E101 WeakPolarHBondContact O-CB 3.23Å; R98-E101 PolarHBondContact O-N 3.22Å; R98-V103 HydrophobicContact CB-CG2 3.97Å; R98-P389 VanDerWaalsContact CZ-CB 3.49Å
99Q68.1Low86.3Confident139 Ų13956.8 Ų56.865%0.6529%0.294SS*.THydrogen-bonded Turntrans49.345.9177.8-66.6175.7-38.100113.5E101Q99-E101 PolarHBondContact O-N 2.82Å
100N72.2Confident86.3Confident136 Ų13655.2 Ų55.273%0.72729%0.287SS*.THydrogen-bonded Turntrans69.92.2-175.2-59.3-18.9000116.6R98R98-N100 VanDerWaalsContact C-N 3.29Å; R98-N100 PolarHBondContact O-N 3.5Å
101E80.3Confident86.2Confident138 Ų13855.3 Ų55.365%0.64529%0.287SS*.EExtended strand (participates in β ladder)trans-96.3139.1169.7-63.3-17716400110.9V97 R98 Q99V97-E101 CarbonylContact C-O 3.5Å; V97-E101 WeakPolarHBondContact CA-O 3.5Å; R98-E101 PolarHBondContact N-O 3.11Å; R98-E101 WeakPolarHBondContact O-CB 3.23Å; R98-E101 PolarHBondContact O-N 3.22Å; Q99-E101 PolarHBondContact O-N 2.82Å
102V84.6Confident86.2Confident95 Ų9557.6 Ų57.658%0.57630%0.295SS*.EExtended strand (participates in β ladder)trans-85115.1172.4-178.40000108.2W51W51-V102 HydrophobicContact CH2-CG1 4.08Å; W51-V102 HydrophobicContact CZ2-CG1 4.49Å; W51-V102 HydrophobicContact CZ2-CG2 4.13Å
103V85.6Confident86.3Confident43 Ų4357.6 Ų57.626%0.26130%0.296SS..EExtended strand (participates in β ladder)trans-111.6130.8-179.6-178.90000109.4T95 F96 R98T95-V103 WeakPolarHBondContact CA-O 3.22Å; F96-V103 HydrophobicContact CD1-CB 4.45Å; F96-V103 VanDerWaalsContact CD1-O 3.3Å; F96-V103 WeakPolarHBondContact CD1-O 3.48Å; F96-V103 HydrophobicContact CE1-CB 4.08Å; F96-V103 HydrophobicContact CE1-CG1 4.03Å; F96-V103 HydrophobicContact CZ-CB 4.15Å; F96-V103 HydrophobicContact CZ-CG1 4.15Å; F96-V103 PolarHBondContact N-O 3.21Å; F96-V103 PolarHBondContact O-N 3.46Å; R98-V103 HydrophobicContact CB-CG2 3.97Å
104S87.6Confident86.4Confident86 Ų8656.3 Ų56.360%0.60129%0.289SS*.EExtended strand (participates in β ladder)trans-103.2123.9173.6-58.40000109.9V94 T95V94-S104 CarbonylContact O-C 3.57Å; V94-S104 WeakPolarHBondContact O-CA 3.36Å; T95-S104 WeakPolarHBondContact CG2-OG 3.2Å
105K87.7Confident86.6Confident74 Ų7456.2 Ų56.232%0.32229%0.288SS..EExtended strand (participates in β ladder)trans-120.1121.6176.4-167.7170.6-178.8166.90109.3V94 F96 V108 D391V94-K105 HydrophobicContact CG2-CB 4.12Å; V94-K105 PolarHBondContact N-O 3.25Å; V94-K105 PolarHBondContact O-N 3.39Å; F96-K105 HydrophobicContact CE1-CB 4.28Å; K105-V108 HydrophobicContact CB-CG2 4.08Å; K105-V108 HydrophobicContact CD-CG2 3.83Å; K105-V108 HydrophobicContact CG-CG2 3.72Å; K105-D391 IonicContact NZ-OD1 2.63Å; K105-D391 PolarHBondContact NZ-OD1 2.98Å; K105-D391 IonicContact NZ-OD2 3.86Å
106K89.3Confident86.9Confident172 Ų17255.6 Ų55.675%0.74828%0.284SS*.EExtended strand (participates in β ladder)trans-90145.2176.6-63.7-171177.6-175.80111D93D93-K106 VanDerWaalsContact OD1-CA 3.25Å; D93-K106 WeakPolarHBondContact OD1-CA 3.3Å
107G87.1Confident87.3Confident29 Ų2955.3 Ų55.330%0.29928%0.283SS..EExtended strand (participates in β ladder)trans69.740.6170.300000115Y58 D93 L109Y58-G107 WeakPolarHBondContact OH-CA 3.47Å; Y58-G107 PolarHBondContact OH-N 3.01Å; D93-G107 PolarHBondContact OD1-N 3.25Å; G107-L109 PolarHBondContact O-N 2.87Å
108V89.6Confident87.7Confident11 Ų1157 Ų577%0.06729%0.289CS..EExtended strand (participates in β ladder)trans-76.7121.7174.4-178.20000109.7L91 V92 V94 K105 I110 I396L91-V108 WeakPolarHBondContact CA-O 3.47Å; V92-V108 PolarHBondContact N-O 3.47Å; V92-V108 WeakPolarHBondContact O-CB 3.4Å; V92-V108 PolarHBondContact O-N 2.98Å; V94-V108 HydrophobicContact CG2-CB 4.44Å; V94-V108 HydrophobicContact CG2-CG2 3.68Å; K105-V108 HydrophobicContact CB-CG2 4.08Å; K105-V108 HydrophobicContact CD-CG2 3.83Å; K105-V108 HydrophobicContact CG-CG2 3.72Å; V108-I110 PolarHBondContact O-N 3.38Å; V108-I396 HydrophobicContact CG1-CD1 3.49Å; V108-I396 VanDerWaalsContact CG1-CD1 3.49Å
109L90.7Very high88.7Confident65 Ų6552.5 Ų52.534%0.3427%0.272SS..EExtended strand (participates in β ladder)trans-70.4120.7176.1-17969.8000110.5E89 L91 G107 G111 T398E89-L109 HydrophobicContact CB-CD1 3.73Å; E89-L109 HydrophobicContact CG-CD1 4.01Å; L91-L109 HydrophobicContact CD2-CB 3.98Å; L91-L109 HydrophobicContact CD2-CD1 3.97Å; G107-L109 PolarHBondContact O-N 2.87Å; L109-G111 WeakPolarHBondContact CD1-O 3.47Å; L109-T398 HydrophobicContact CD2-CG2 4.29Å; L109-T398 HydrophobicContact CG-CG2 4.12Å; L109-T398 VanDerWaalsContact O-CG2 3.3Å; L109-T398 WeakPolarHBondContact O-CG2 3.45Å
110I91.8Very high89.8Confident1 Ų147.7 Ų47.71%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-107.6-17.4176.363.2161.8000113.2I57 I90 V92 V108 F367 F370 T398 I401I57-I110 HydrophobicContact CD1-CD1 4.38Å; I90-I110 HydrophobicContact CB-CD1 4.42Å; I90-I110 HydrophobicContact CB-CG1 3.86Å; I90-I110 HydrophobicContact CG2-CD1 3.64Å; I90-I110 HydrophobicContact CG2-CG1 3.58Å; I90-I110 PolarHBondContact O-N 3.2Å; V92-I110 HydrophobicContact CB-CG2 4.29Å; V92-I110 HydrophobicContact CG2-CD1 3.46Å; V92-I110 VanDerWaalsContact CG2-CD1 3.46Å; V92-I110 HydrophobicContact CG2-CG1 3.83Å; V92-I110 HydrophobicContact CG2-CG2 3.97Å; V108-I110 PolarHBondContact O-N 3.38Å; I110-F367 HydrophobicContact CD1-CD2 4.47Å; I110-F367 HydrophobicContact CD1-CE2 4.2Å; I110-F370 HydrophobicContact CG2-CZ 4.46Å; I110-T398 WeakPolarHBondContact O-CA 3.33Å; I110-I401 HydrophobicContact CB-CD1 4.26Å; I110-I401 HydrophobicContact CD1-CD1 3.97Å; I110-I401 HydrophobicContact CG1-CD1 4.24Å
111G92.1Very high90.7Very high1 Ų142.9 Ų42.91%0.0123%0.228CC..EExtended strand (participates in β ladder)trans166.9-171.3-18000000112.5I90 L109I90-G111 WeakPolarHBondContact CB-O 3.19Å; I90-G111 PolarHBondContact N-O 2.9Å; L109-G111 WeakPolarHBondContact CD1-O 3.47Å
112R93Very high91.3Very high56 Ų5636.6 Ų36.621%0.21120%0.199CC..EExtended strand (participates in β ladder)trans-121.7135.4176-58.7176.975.6-161.11.8110.6T63 A87 G88 T402 E872T63-R112 PolarHBondContact O-NH2 3.3Å; A87-R112 HydrophobicContact CB-CB 4.08Å; G88-R112 CarbonylContact O-C 3.34Å; G88-R112 VanDerWaalsContact O-CA 3.22Å; G88-R112 WeakPolarHBondContact O-CA 3.29Å; R112-T402 HydrophobicContact CB-CG2 3.96Å; R112-T402 PolarHBondContact N-OG1 2.86Å; R112-E872 IonicContact NH1-OE1 2.89Å
113M94.3Very high91.6Very high1 Ų134.4 Ų34.41%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-102.7122.1178.9-178.562.974.200109.9F28 I33 I59 A87 G88 I90 I115 F363 L405F28-M113 HydrophobicContact CE1-CE 3.86Å; F28-M113 HydrophobicContact CE1-SD 4.27Å; F28-M113 HydrophobicContact CZ-CE 3.84Å; I33-M113 HydrophobicContact CD1-CE 4.36Å; I59-M113 HydrophobicContact CD1-CB 4.13Å; I59-M113 HydrophobicContact CD1-CG 4.06Å; I59-M113 HydrophobicContact CG2-CB 4.4Å; A87-M113 CarbonylContact C-O 3.56Å; A87-M113 WeakPolarHBondContact CA-O 3.25Å; A87-M113 WeakPolarHBondContact CB-O 3.29Å; G88-M113 PolarHBondContact N-O 2.66Å; G88-M113 PolarHBondContact O-N 2.91Å; I90-M113 HydrophobicContact CD1-CB 3.85Å; I90-M113 HydrophobicContact CD1-CE 4.13Å; I90-M113 HydrophobicContact CG1-CB 3.74Å; M113-I115 HydrophobicContact CB-CD1 4.48Å; M113-I115 HydrophobicContact CG-CD1 4.31Å; M113-I115 PolarHBondContact O-N 2.92Å; M113-F363 HydrophobicContact CE-CD2 3.78Å; M113-F363 HydrophobicContact CE-CE2 4.23Å; M113-F363 HydrophobicContact CE-CG 4.43Å; M113-L405 HydrophobicContact CE-CD1 4.02Å; M113-L405 HydrophobicContact SD-CD1 3.85Å
114P95.5Very high92Very high1 Ų132.8 Ų32.81%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-58.3126.6169-2637.2000111.2F146 N406 I409P114-F146 HydrophobicContact CB-CD1 4.02Å; P114-F146 WeakPolarHBondContact O-CE1 3.31Å; P114-N406 VanDerWaalsContact CG-OD1 3.32Å; P114-N406 WeakPolarHBondContact CG-OD1 3.5Å; P114-I409 HydrophobicContact CB-CD1 4.14Å; P114-I409 HydrophobicContact CG-CD1 4.05Å
115I95.7Very high92.1Very high0 Ų032.8 Ų32.80%017%0.169CC..PPolyproline II helixtrans-98130.6-176.5-58.6-56.3000109.9I59 P62 Y86 M113 S119 I121 C122I59-I115 HydrophobicContact CG2-CD1 4.02Å; P62-I115 HydrophobicContact CG-CB 4.09Å; P62-I115 HydrophobicContact CG-CG1 3.76Å; Y86-I115 HydrophobicContact CD1-CB 3.97Å; Y86-I115 HydrophobicContact CD1-CG2 4.45Å; Y86-I115 WeakPolarHBondContact CD1-O 3.47Å; Y86-I115 HydrophobicContact CE1-CB 3.9Å; Y86-I115 HydrophobicContact CE1-CG2 3.93Å; Y86-I115 PolarHBondContact O-N 3.35Å; M113-I115 HydrophobicContact CB-CD1 4.48Å; M113-I115 HydrophobicContact CG-CD1 4.31Å; M113-I115 PolarHBondContact O-N 2.92Å; I115-S119 WeakPolarHBondContact CG2-OG 3.45Å; I115-I121 HydrophobicContact CD1-CG2 4.29Å; I115-I121 HydrophobicContact CG2-CB 4.48Å; I115-C122 HydrophobicContact CG2-CB 4.25Å
116M95.9Very high92.2Very high1 Ų132.9 Ų32.91%0.00519%0.191CC..PPolyproline II helixtrans-71.8136.3173.9-173.6-178.3-74.900110.4H21 I22 F25 S119 F146 A355H21-M116 HydrophobicContact CB-CE 4.17Å; H21-M116 HydrophobicContact CB-SD 4.1Å; I22-M116 HydrophobicContact CG1-SD 4.17Å; F25-M116 HydrophobicContact CB-CE 3.84Å; F25-M116 HydrophobicContact CB-SD 3.92Å; F25-M116 HydrophobicContact CD1-CB 3.5Å; F25-M116 HydrophobicContact CD1-SD 4.47Å; F25-M116 HydrophobicContact CD2-CB 4.42Å; F25-M116 HydrophobicContact CD2-CE 4.38Å; F25-M116 HydrophobicContact CE1-CB 3.59Å; F25-M116 HydrophobicContact CG-CB 3.92Å; F25-M116 HydrophobicContact CG-CE 4.11Å; F25-M116 HydrophobicContact CG-SD 4.26Å; F25-M116 HydrophobicContact CZ-CB 4.13Å; M116-S119 VanDerWaalsContact O-CB 3.25Å; M116-S119 WeakPolarHBondContact O-CB 3.16Å; M116-S119 PolarHBondContact O-N 3.09Å; M116-S119 PolarHBondContact O-OG 3.04Å; M116-F146 HydrophobicContact CB-CD1 4.31Å; M116-F146 HydrophobicContact CB-CE1 3.74Å; M116-F146 HydrophobicContact CB-CZ 3.91Å; M116-F146 HydrophobicContact CE-CE2 3.65Å; M116-F146 HydrophobicContact CE-CZ 3.58Å; M116-F146 HydrophobicContact CG-CZ 4.41Å; M116-A355 HydrophobicContact CE-CB 3.81Å
117L94.9Very high92.3Very high1 Ų129 Ų291%0.00517%0.174CC..THydrogen-bonded Turntrans-65.3141.2178.3-8572.7000111.5P76 Y86 S119 L124 G144 Y145 I147P76-L117 HydrophobicContact CB-CD2 3.88Å; P76-L117 HydrophobicContact CB-CG 4.22Å; P76-L117 HydrophobicContact CG-CD2 4.32Å; P76-L117 HydrophobicContact CG-CG 4.27Å; Y86-L117 HydrophobicContact CD1-CD1 4.18Å; L117-S119 PolarHBondContact O-N 3.16Å; L117-L124 HydrophobicContact CD2-CD1 4.34Å; L117-G144 PolarHBondContact O-N 3.32Å; L117-Y145 HydrophobicContact CD1-CE2 4.41Å; L117-Y145 WeakPolarHBondContact CD1-O 3.15Å; L117-Y145 HydrophobicContact CD2-CE1 4.28Å; L117-Y145 HydrophobicContact CD2-CE2 3.75Å; L117-Y145 PolarHBondContact N-O 3.03Å; L117-I147 HydrophobicContact CD1-CD1 3.74Å; L117-I147 HydrophobicContact CD1-CG1 3.85Å; L117-I147 HydrophobicContact CD2-CD1 4.07Å; L117-I147 HydrophobicContact CG-CD1 4.48Å
118K92.4Very high92.6Very high52 Ų5229.7 Ų29.723%0.22618%0.175CC..THydrogen-bonded Turntrans62.310.9-173.5-62.8-172169.1-176.80115.1I22 C122 L124 P139 D141I22-K118 HydrophobicContact CD1-CB 4Å; K118-C122 PolarHBondContact N-SG 2.92Å; K118-L124 HydrophobicContact CG-CB 4.4Å; K118-P139 PolarHBondContact NZ-O 2.9Å; K118-D141 VanDerWaalsContact CE-O 3.26Å; K118-D141 WeakPolarHBondContact CE-O 3.38Å; K118-D141 PolarHBondContact NZ-O 2.9Å
119S93.5Very high92.7Very high0 Ų033.2 Ų33.20%020%0.197CC..SBendtrans-69.7166.3166.865.90000112.4I115 M116 L117 I121 C122 N125I115-S119 WeakPolarHBondContact CG2-OG 3.45Å; M116-S119 VanDerWaalsContact O-CB 3.25Å; M116-S119 WeakPolarHBondContact O-CB 3.16Å; M116-S119 PolarHBondContact O-N 3.09Å; M116-S119 PolarHBondContact O-OG 3.04Å; L117-S119 PolarHBondContact O-N 3.16Å; S119-I121 PolarHBondContact O-N 2.78Å; S119-I121 VanDerWaalsContact O-N 3.12Å; S119-C122 VanDerWaalsContact O-CB 3.25Å; S119-C122 WeakPolarHBondContact O-CB 3.46Å; S119-C122 PolarHBondContact O-N 2.81Å; S119-N125 VanDerWaalsContact O-CB 3.32Å; S119-N125 WeakPolarHBondContact O-CB 3.35Å
120S91.6Very high92.9Very high39 Ų3933.4 Ų33.427%0.27320%0.204SC..THydrogen-bonded Turntrans-50.9-37.1-178.752.80000114.3N26 N125N26-S120 VanDerWaalsContact OD1-CB 3.32Å; N26-S120 WeakPolarHBondContact OD1-CB 3.48Å; N26-S120 PolarHBondContact OD1-N 3.06Å; N26-S120 PolarHBondContact OD1-OG 3.09Å; S120-N125 WeakPolarHBondContact CA-ND2 3.34Å; S120-N125 PolarHBondContact O-ND2 3.21Å
121I91Very high93Very high35 Ų3536.3 Ų36.318%0.17922%0.218CC..THydrogen-bonded Turntrans-85.8-18.6-179-59.5-170.4000112.5I29 I59 I115 S119I29-I121 HydrophobicContact CD1-CD1 4.01Å; I29-I121 HydrophobicContact CD1-CG1 4.49Å; I29-I121 HydrophobicContact CG2-CD1 3.47Å; I29-I121 VanDerWaalsContact CG2-CD1 3.47Å; I59-I121 HydrophobicContact CB-CD1 3.97Å; I59-I121 HydrophobicContact CG2-CD1 4.27Å; I115-I121 HydrophobicContact CD1-CG2 4.29Å; I115-I121 HydrophobicContact CG2-CB 4.48Å; S119-I121 PolarHBondContact O-N 2.78Å; S119-I121 VanDerWaalsContact O-N 3.12Å
122C93.2Very high93.1Very high6 Ų636.8 Ų36.84%0.04122%0.22CC..SBendtrans-66.8141-178.2-175.20000111.1Y86 I115 K118 S119 L124 N125Y86-C122 PolarHBondContact OH-SG 3.48Å; Y86-C122 VanDerWaalsContact OH-SG 3.38Å; I115-C122 HydrophobicContact CG2-CB 4.25Å; K118-C122 PolarHBondContact N-SG 2.92Å; S119-C122 VanDerWaalsContact O-CB 3.25Å; S119-C122 WeakPolarHBondContact O-CB 3.46Å; S119-C122 PolarHBondContact O-N 2.81Å; C122-L124 PolarHBondContact O-N 3.09Å; C122-L124 VanDerWaalsContact O-N 3.09Å; C122-N125 WeakPolarHBondContact O-CB 3.11Å; C122-N125 PolarHBondContact O-N 3.35Å; C122-N125 VanDerWaalsContact O-N 3.07Å
123V92Very high93Very high48 Ų4840.1 Ų40.129%0.29124%0.24SC..THydrogen-bonded Turntrans-59.6-23.7177.9178.80000112.6Y86 N125 K127 L135Y86-V123 PolarHBondContact OH-N 2.92Å; V123-N125 VanDerWaalsContact C-N 3.34Å; V123-K127 WeakPolarHBondContact O-CE 3.46Å; V123-K127 WeakPolarHBondContact O-CG 3.48Å; V123-L135 HydrophobicContact CG1-CD1 4.24Å
124L92.4Very high93Very high10 Ų1048.8 Ų48.85%0.05227%0.272CS..THydrogen-bonded Turntrans-79.7-12.6-179.6-55-177000113.8P76 L117 K118 C122 L132 L135 E137P76-L124 HydrophobicContact CG-CD1 3.96Å; P76-L124 HydrophobicContact CG-CD2 4.47Å; P76-L124 HydrophobicContact CG-CG 4.12Å; L117-L124 HydrophobicContact CD2-CD1 4.34Å; K118-L124 HydrophobicContact CG-CB 4.4Å; C122-L124 PolarHBondContact O-N 3.09Å; C122-L124 VanDerWaalsContact O-N 3.09Å; L124-L132 HydrophobicContact CB-CD2 4.01Å; L124-L132 HydrophobicContact CD2-CD2 3.81Å; L124-L132 HydrophobicContact CG-CD2 4.41Å; L124-L135 HydrophobicContact CD2-CB 4.46Å; L124-L135 HydrophobicContact CD2-CD1 3.87Å; L124-E137 HydrophobicContact CD1-CG 4.17Å; L124-E137 HydrophobicContact CD2-CB 4.4Å; L124-E137 HydrophobicContact CD2-CG 4.02Å
125N91.5Very high92.8Very high85 Ų8550.8 Ų50.846%0.45528%0.283SS..THydrogen-bonded Turntrans-70.5137.4-176.3-174.733.6000111.8S119 S120 C122 V123 K127S119-N125 VanDerWaalsContact O-CB 3.32Å; S119-N125 WeakPolarHBondContact O-CB 3.35Å; S120-N125 WeakPolarHBondContact CA-ND2 3.34Å; S120-N125 PolarHBondContact O-ND2 3.21Å; C122-N125 WeakPolarHBondContact O-CB 3.11Å; C122-N125 PolarHBondContact O-N 3.35Å; C122-N125 VanDerWaalsContact O-N 3.07Å; V123-N125 VanDerWaalsContact C-N 3.34Å; N125-K127 PolarHBondContact O-N 3.11Å
126G87.9Confident92.7Very high77 Ų7756.2 Ų56.279%0.79431%0.306SS*.THydrogen-bonded Turntrans67.69.4179.100000115.7
127K92.1Very high92.6Very high90 Ų9056.4 Ų56.439%0.39131%0.307SS..  trans-82.6141.2-179.5-62.6-62.9177.6-1730111.9V123 N125 E131 L132V123-K127 WeakPolarHBondContact O-CE 3.46Å; V123-K127 WeakPolarHBondContact O-CG 3.48Å; N125-K127 PolarHBondContact O-N 3.11Å; K127-E131 WeakPolarHBondContact CA-OE2 3.49Å; K127-E131 HydrophobicContact CB-CB 4.04Å; K127-E131 HydrophobicContact CD-CB 4.19Å; K127-E131 WeakPolarHBondContact CD-OE2 3.49Å; K127-E131 IonicContact NZ-OE2 3.92Å; K127-L132 HydrophobicContact CB-CD2 3.83Å; K127-L132 HydrophobicContact CB-CG 3.94Å; K127-L132 HydrophobicContact CG-CD2 4.49Å
128S94Very high92.5Very high44 Ų4456.6 Ų56.631%0.30831%0.308SS..  trans-70.5160.2173.470.20000111.2S130 E131 L132S128-S130 PolarHBondContact O-N 3.4Å; S128-S130 PolarHBondContact OG-OG 3.39Å; S128-S130 VanDerWaalsContact OG-OG 3.11Å; S128-E131 PolarHBondContact N-OE2 3.1Å; S128-E131 WeakPolarHBondContact O-CB 3.49Å; S128-E131 PolarHBondContact O-N 3.2Å; S128-E131 WeakPolarHBondContact OG-CG 3.4Å; S128-E131 PolarHBondContact OG-N 3.28Å; S128-L132 PolarHBondContact O-N 2.95Å
129P92Very high92.5Very high84 Ų8455.4 Ų55.455%0.54531%0.306SS..Hα-helixtrans-53.5-38.2176.8-28.636.1000113.6L132 M133 P139P129-L132 PolarHBondContact O-N 3.27Å; P129-M133 VanDerWaalsContact O-CG 3.32Å; P129-M133 WeakPolarHBondContact O-CG 3.44Å; P129-M133 PolarHBondContact O-N 2.83Å; P129-P139 HydrophobicContact CB-CB 4.1Å; P129-P139 HydrophobicContact CB-CG 3.9Å
130S94.3Very high92.4Very high70 Ų7056.9 Ų56.949%0.4931%0.314SS..Hα-helixtrans-70.1-34.117862.20000113.1S128 R134S128-S130 PolarHBondContact O-N 3.4Å; S128-S130 PolarHBondContact OG-OG 3.39Å; S128-S130 VanDerWaalsContact OG-OG 3.11Å; S130-R134 WeakPolarHBondContact O-CG 3.3Å; S130-R134 PolarHBondContact O-N 2.67Å; S130-R134 VanDerWaalsContact O-N 3.12Å
131E94.3Very high92.4Very high61 Ų6155.4 Ų55.429%0.28530%0.303SS..Hα-helixtrans-67.9-41171.8-73.6175.9172.200112.1K127 S128 M133 R134 L135K127-E131 WeakPolarHBondContact CA-OE2 3.49Å; K127-E131 HydrophobicContact CB-CB 4.04Å; K127-E131 HydrophobicContact CD-CB 4.19Å; K127-E131 WeakPolarHBondContact CD-OE2 3.49Å; K127-E131 IonicContact NZ-OE2 3.92Å; S128-E131 PolarHBondContact N-OE2 3.1Å; S128-E131 WeakPolarHBondContact O-CB 3.49Å; S128-E131 PolarHBondContact O-N 3.2Å; S128-E131 WeakPolarHBondContact OG-CG 3.4Å; S128-E131 PolarHBondContact OG-N 3.28Å; E131-M133 VanDerWaalsContact C-N 3.33Å; E131-M133 PolarHBondContact O-N 3.36Å; E131-R134 WeakPolarHBondContact O-CB 3.19Å; E131-R134 PolarHBondContact O-N 2.82Å; E131-R134 IonicContact OE1-NH2 2.95Å; E131-L135 WeakPolarHBondContact O-CG 3.34Å; E131-L135 PolarHBondContact O-N 3.16Å
132L93.3Very high92.3Very high12 Ų1254.5 Ų54.56%0.06330%0.299CS..Hα-helixtrans-62.7-40.7175.9-68.6174.2000111.6L124 K127 S128 P129 R134 L135 K136 E137 P139L124-L132 HydrophobicContact CB-CD2 4.01Å; L124-L132 HydrophobicContact CD2-CD2 3.81Å; L124-L132 HydrophobicContact CG-CD2 4.41Å; K127-L132 HydrophobicContact CB-CD2 3.83Å; K127-L132 HydrophobicContact CB-CG 3.94Å; K127-L132 HydrophobicContact CG-CD2 4.49Å; S128-L132 PolarHBondContact O-N 2.95Å; P129-L132 PolarHBondContact O-N 3.27Å; L132-R134 VanDerWaalsContact C-N 3.35Å; L132-R134 PolarHBondContact O-N 3.4Å; L132-L135 CarbonylContact O-C 3.56Å; L132-L135 WeakPolarHBondContact O-CA 3.31Å; L132-L135 PolarHBondContact O-N 3.03Å; L132-L135 VanDerWaalsContact O-N 3.12Å; L132-K136 PolarHBondContact O-N 3.31Å; L132-K136 VanDerWaalsContact O-N 3.15Å; L132-E137 CarbonylContact C-O 3.56Å; L132-E137 PolarHBondContact O-N 2.82Å; L132-P139 HydrophobicContact CB-CG 4.34Å; L132-P139 HydrophobicContact CD1-CB 4.22Å
133M92Very high92.3Very high126 Ų12654.2 Ų54.262%0.62130%0.298SS*.Hα-helixtrans-63.1-39.6174.2-69.9176.37800112.2P129 E131 L135 K136 P139P129-M133 VanDerWaalsContact O-CG 3.32Å; P129-M133 WeakPolarHBondContact O-CG 3.44Å; P129-M133 PolarHBondContact O-N 2.83Å; E131-M133 VanDerWaalsContact C-N 3.33Å; E131-M133 PolarHBondContact O-N 3.36Å; M133-L135 VanDerWaalsContact C-N 3.27Å; M133-L135 PolarHBondContact O-N 3.47Å; M133-K136 WeakPolarHBondContact O-CA 3.18Å; M133-K136 PolarHBondContact O-N 2.92Å; M133-P139 HydrophobicContact CG-CG 4.35Å
134R93.1Very high92.3Very high182 Ų18252 Ų5269%0.68729%0.285SS*.Hα-helixtrans-61-36.6172.1-76.3-175.1-81.1179.6-4.1112.2S130 E131 L132 K136S130-R134 WeakPolarHBondContact O-CG 3.3Å; S130-R134 PolarHBondContact O-N 2.67Å; S130-R134 VanDerWaalsContact O-N 3.12Å; E131-R134 WeakPolarHBondContact O-CB 3.19Å; E131-R134 PolarHBondContact O-N 2.82Å; E131-R134 IonicContact OE1-NH2 2.95Å; L132-R134 VanDerWaalsContact C-N 3.35Å; L132-R134 PolarHBondContact O-N 3.4Å; R134-K136 PolarHBondContact O-N 3.05Å
135L92.4Very high92.5Very high43 Ų4351.6 Ų51.623%0.22528%0.282CS..THydrogen-bonded Turntrans-799.2172.8-63.1176.1000113.6T75 V123 L124 E131 L132 M133 E137T75-L135 HydrophobicContact CG2-CD2 3.97Å; V123-L135 HydrophobicContact CG1-CD1 4.24Å; L124-L135 HydrophobicContact CD2-CB 4.46Å; L124-L135 HydrophobicContact CD2-CD1 3.87Å; E131-L135 WeakPolarHBondContact O-CG 3.34Å; E131-L135 PolarHBondContact O-N 3.16Å; L132-L135 CarbonylContact O-C 3.56Å; L132-L135 WeakPolarHBondContact O-CA 3.31Å; L132-L135 PolarHBondContact O-N 3.03Å; L132-L135 VanDerWaalsContact O-N 3.12Å; M133-L135 VanDerWaalsContact C-N 3.27Å; M133-L135 PolarHBondContact O-N 3.47Å; L135-E137 PolarHBondContact O-N 3.27Å
136K93.7Very high92.7Very high114 Ų11447.6 Ų47.650%0.49626%0.261SS..THydrogen-bonded Turntrans60.925.7178.9-67.4178.1-177.9176.40114H77 L132 M133 R134 N688 I691H77-K136 HydrophobicContact CB-CB 4.33Å; L132-K136 PolarHBondContact O-N 3.31Å; L132-K136 VanDerWaalsContact O-N 3.15Å; M133-K136 WeakPolarHBondContact O-CA 3.18Å; M133-K136 PolarHBondContact O-N 2.92Å; R134-K136 PolarHBondContact O-N 3.05Å; K136-N688 PolarHBondContact O-ND2 3.34Å; K136-I691 HydrophobicContact CB-CD1 3.55Å; K136-I691 HydrophobicContact CD-CD1 4.15Å; K136-I691 HydrophobicContact CG-CD1 3.92Å
137E94Very high93.1Very high6 Ų643.9 Ų43.93%0.02822%0.223CC..  trans-110.4152.1177.4-71.2-67.1-173.800112.6H77 R80 L124 L132 L135 N688 R692H77-E137 PolarHBondContact N-OE1 2.84Å; R80-E137 IonicContact CZ-OE1 2.65Å; R80-E137 VanDerWaalsContact CZ-OE1 3.26Å; R80-E137 IonicContact NH1-OE1 3.67Å; R80-E137 PolarHBondContact NH1-OE1 3.45Å; R80-E137 IonicContact NH1-OE2 3.85Å; R80-E137 IonicContact NH2-OE1 2.8Å; R80-E137 PolarHBondContact NH2-OE1 3.13Å; R80-E137 IonicContact NH2-OE2 3.15Å; R80-E137 PolarHBondContact NH2-OE2 3.06Å; L124-E137 HydrophobicContact CD1-CG 4.17Å; L124-E137 HydrophobicContact CD2-CB 4.4Å; L124-E137 HydrophobicContact CD2-CG 4.02Å; L132-E137 CarbonylContact C-O 3.56Å; L132-E137 PolarHBondContact O-N 2.82Å; L135-E137 PolarHBondContact O-N 3.27Å; E137-N688 PolarHBondContact OE2-ND2 3.44Å; E137-N688 VanDerWaalsContact OE2-ND2 3.15Å; E137-R692 IonicContact OE2-NH2 3.31Å
138C92.8Very high93.2Very high4 Ų440 Ų403%0.02721%0.206CC..  trans-81.9126.3176.6-1790000109.9L140 D141 A686 L687C138-L140 PolarHBondContact O-N 2.83Å; C138-D141 HydrophobicContact CB-CB 4.24Å; C138-D141 WeakPolarHBondContact O-CB 3.16Å; C138-D141 PolarHBondContact O-N 3.13Å; C138-D141 VanDerWaalsContact O-N 3.14Å; C138-A686 HydrophobicContact CB-CB 4.02Å; C138-L687 HydrophobicContact CB-CB 4.36Å; C138-L687 PolarHBondContact SG-N 3.09Å
139P91.9Very high93Very high28 Ų2839.5 Ų39.518%0.18221%0.209CC..THydrogen-bonded Turntrans-55.9-39.6175.5-27.535.9000113.4K118 P129 L132 M133 D141K118-P139 PolarHBondContact NZ-O 2.9Å; P129-P139 HydrophobicContact CB-CB 4.1Å; P129-P139 HydrophobicContact CB-CG 3.9Å; L132-P139 HydrophobicContact CB-CG 4.34Å; L132-P139 HydrophobicContact CD1-CB 4.22Å; M133-P139 HydrophobicContact CG-CG 4.35Å; P139-D141 VanDerWaalsContact C-N 3.29Å; P139-D141 PolarHBondContact O-N 3.44Å
140L90.8Very high93Very high31 Ų3136.1 Ų36.116%0.16219%0.188CC..THydrogen-bonded Turntrans-76.1-8.9-178.7-56.8175.2000113.9C138 Y435 H717 E720 L721C138-L140 PolarHBondContact O-N 2.83Å; L140-Y435 HydrophobicContact CB-CE2 4.42Å; L140-Y435 WeakPolarHBondContact O-CE2 3.46Å; L140-H717 HydrophobicContact CD1-CB 4.45Å; L140-H717 HydrophobicContact CD2-CB 4.03Å; L140-E720 HydrophobicContact CD1-CB 4.27Å; L140-E720 WeakPolarHBondContact CD1-OE2 3.32Å; L140-L721 HydrophobicContact CB-CD1 4.28Å; L140-L721 HydrophobicContact CD1-CD1 3.72Å; L140-L721 HydrophobicContact CD1-CG 3.91Å
141D91.6Very high92.9Very high7 Ų735.2 Ų35.24%0.03718%0.18CC..  trans-60.4127.7179.8-172.933.6000110.1K118 C138 P139 G143 Y145 R432K118-D141 VanDerWaalsContact CE-O 3.26Å; K118-D141 WeakPolarHBondContact CE-O 3.38Å; K118-D141 PolarHBondContact NZ-O 2.9Å; C138-D141 HydrophobicContact CB-CB 4.24Å; C138-D141 WeakPolarHBondContact O-CB 3.16Å; C138-D141 PolarHBondContact O-N 3.13Å; C138-D141 VanDerWaalsContact O-N 3.14Å; P139-D141 VanDerWaalsContact C-N 3.29Å; P139-D141 PolarHBondContact O-N 3.44Å; D141-G143 PolarHBondContact O-N 3.37Å; D141-G143 VanDerWaalsContact O-N 3.1Å; D141-Y145 WeakPolarHBondContact OD2-CE1 3.49Å; D141-Y145 PolarHBondContact OD2-OH 3.37Å; D141-R432 IonicContact OD1-CZ 2.64Å; D141-R432 VanDerWaalsContact OD1-CZ 3.26Å; D141-R432 IonicContact OD1-NH1 3.12Å; D141-R432 PolarHBondContact OD1-NH1 3.15Å; D141-R432 IonicContact OD1-NH2 2.78Å; D141-R432 PolarHBondContact OD1-NH2 3.41Å; D141-R432 IonicContact OD2-NH2 3.46Å; D141-R432 PolarHBondContact OD2-NH2 3.5Å
142P89.8Confident93Very high17 Ų1733 Ų3311%0.1117%0.17CC..  trans-54.6-32-176.514.3-32.5000115.6V18 L439 M442V18-P142 HydrophobicContact CB-CB 4.34Å; V18-P142 HydrophobicContact CG1-CB 4.19Å; V18-P142 HydrophobicContact CG2-CB 3.59Å; P142-L439 HydrophobicContact CB-CD2 3.86Å; P142-L439 HydrophobicContact CG-CD2 4.1Å; P142-M442 HydrophobicContact CB-CG 4.26Å; P142-M442 HydrophobicContact CG-CE 4.48Å; P142-M442 HydrophobicContact CG-CG 4.35Å
143G92Very high93.1Very high0 Ų033.6 Ų33.60%017%0.172CC..  trans67.8-164.3-166.700000111.7V18 D141 Y145 M442V18-G143 VanDerWaalsContact CG1-O 3.28Å; V18-G143 WeakPolarHBondContact CG1-O 3.45Å; D141-G143 PolarHBondContact O-N 3.37Å; D141-G143 VanDerWaalsContact O-N 3.1Å; G143-Y145 WeakPolarHBondContact O-CD1 3.18Å; G143-M442 WeakPolarHBondContact O-CE 3.41Å
144G92.6Very high93.2Very high2 Ų227.7 Ų27.72%0.02114%0.143CC..  trans83.611.4176.800000116.1L117L117-G144 PolarHBondContact O-N 3.32Å
145Y95.8Very high93.3Very high0 Ų019 Ų190%011%0.11CC..  trans-124.616717860.7-83.5000111.6R80 L117 D141 G143 I147 E152 V430 R432 M442R80-Y145 PolarHBondContact NH2-OH 2.91Å; L117-Y145 HydrophobicContact CD1-CE2 4.41Å; L117-Y145 WeakPolarHBondContact CD1-O 3.15Å; L117-Y145 HydrophobicContact CD2-CE1 4.28Å; L117-Y145 HydrophobicContact CD2-CE2 3.75Å; L117-Y145 PolarHBondContact N-O 3.03Å; D141-Y145 WeakPolarHBondContact OD2-CE1 3.49Å; D141-Y145 PolarHBondContact OD2-OH 3.37Å; G143-Y145 WeakPolarHBondContact O-CD1 3.18Å; Y145-I147 HydrophobicContact CE2-CG1 4.32Å; Y145-E152 HydrophobicContact CD2-CB 3.81Å; Y145-E152 HydrophobicContact CD2-CG 4.02Å; Y145-E152 HydrophobicContact CE2-CB 3.92Å; Y145-E152 VanDerWaalsContact CE2-CD 3.41Å; Y145-E152 HydrophobicContact CE2-CG 3.59Å; Y145-E152 PolarHBondContact OH-OE1 3.08Å; Y145-V430 HydrophobicContact CD2-CG2 4.37Å; Y145-V430 HydrophobicContact CG-CG2 4.15Å; Y145-R432 VanDerWaalsContact CZ-NH2 3.26Å; Y145-R432 PolarHBondContact OH-NH2 3.43Å; Y145-M442 HydrophobicContact CD1-CE 3.21Å; Y145-M442 HydrophobicContact CE1-CE 4.1Å; Y145-M442 HydrophobicContact CG-CE 3.81Å
146F96.5Very high93.4Very high1 Ų117 Ų170%0.00410%0.1CC..EExtended strand (participates in β ladder)trans-105155.7178.3-60.9-84.7000111.1F25 P114 M116 E152 K153 V155 L359 I409F25-F146 HydrophobicContact CD2-CE1 4.34Å; F25-F146 HydrophobicContact CD2-CZ 4.01Å; F25-F146 AromaticContact CE2-CE1 3.79Å; F25-F146 HydrophobicContact CE2-CE1 3.79Å; F25-F146 AromaticContact CE2-CZ 3.89Å; F25-F146 HydrophobicContact CE2-CZ 3.89Å; F25-F146 HydrophobicContact CZ-CE1 4Å; F25-F146 HydrophobicContact CZ-CZ 4.48Å; P114-F146 HydrophobicContact CB-CD1 4.02Å; P114-F146 WeakPolarHBondContact O-CE1 3.31Å; M116-F146 HydrophobicContact CB-CD1 4.31Å; M116-F146 HydrophobicContact CB-CE1 3.74Å; M116-F146 HydrophobicContact CB-CZ 3.91Å; M116-F146 HydrophobicContact CE-CE2 3.65Å; M116-F146 HydrophobicContact CE-CZ 3.58Å; M116-F146 HydrophobicContact CG-CZ 4.41Å; F146-E152 CarbonylContact O-C 3.55Å; F146-E152 WeakPolarHBondContact O-CA 3.4Å; F146-K153 PolarHBondContact N-O 2.8Å; F146-K153 PolarHBondContact O-N 3.41Å; F146-V155 HydrophobicContact CD2-CG2 3.99Å; F146-V155 HydrophobicContact CE2-CG2 3.7Å; F146-L359 HydrophobicContact CE1-CD1 4.27Å; F146-L359 HydrophobicContact CE2-CD1 4.25Å; F146-L359 HydrophobicContact CZ-CD1 3.55Å; F146-I409 HydrophobicContact CB-CG2 4.4Å; F146-I409 HydrophobicContact CD2-CG2 4.42Å
147I96.3Very high93.4Very high0 Ų011.6 Ų11.60%08%0.076CC..EExtended strand (participates in β ladder)trans-117.5115.5170.9-60.8168000108.1P76 C79 R80 Y86 L117 Y145 T151P76-I147 HydrophobicContact CB-CD1 3.72Å; C79-I147 HydrophobicContact CB-CG2 4.01Å; R80-I147 HydrophobicContact CG-CD1 3.86Å; R80-I147 HydrophobicContact CG-CG1 4.41Å; R80-I147 HydrophobicContact CG-CG2 4.23Å; Y86-I147 PolarHBondContact N-O 2.84Å; L117-I147 HydrophobicContact CD1-CD1 3.74Å; L117-I147 HydrophobicContact CD1-CG1 3.85Å; L117-I147 HydrophobicContact CD2-CD1 4.07Å; L117-I147 HydrophobicContact CG-CD1 4.48Å; Y145-I147 HydrophobicContact CE2-CG1 4.32Å; I147-T151 WeakPolarHBondContact CA-O 3.44Å
148I94.2Very high93.3Very high7 Ų711.9 Ų11.94%0.0368%0.078CC..EExtended strand (participates in β ladder)trans-131.2124.1-179.4-57.6-179.7000109T85 G150 T151 N406 I409T85-I148 HydrophobicContact CG2-CB 4.42Å; T85-I148 HydrophobicContact CG2-CG1 4.08Å; T85-I148 HydrophobicContact CG2-CG2 4.38Å; I148-G150 PolarHBondContact O-N 3.03Å; I148-T151 PolarHBondContact N-O 3.41Å; I148-T151 PolarHBondContact O-N 3.46Å; I148-T151 PolarHBondContact O-OG1 3.24Å; I148-N406 HydrophobicContact CG2-CB 4.41Å; I148-I409 HydrophobicContact CD1-CB 3.3Å; I148-I409 HydrophobicContact CD1-CD1 4.04Å; I148-I409 HydrophobicContact CD1-CG1 4.27Å; I148-I409 HydrophobicContact CD1-CG2 3.24Å; I148-I409 HydrophobicContact CG1-CG2 4.44Å
149G90.4Very high93.3Very high35 Ų3512 Ų1236%0.3618%0.077SC..THydrogen-bonded Turntrans52.840.8-175.600000112.5D83 T85 T151D83-G149 CarbonylContact O-C 3.16Å; D83-G149 WeakPolarHBondContact O-CA 3.44Å; T85-G149 PolarHBondContact OG1-N 3.11Å; G149-T151 PolarHBondContact O-N 2.78Å; G149-T151 VanDerWaalsContact O-N 3.15Å
150G90.4Very high93.1Very high12 Ų1211.5 Ų11.512%0.1247%0.073CC..THydrogen-bonded Turntrans74.3-7.9-175.700000116.8L84 I148L84-G150 PolarHBondContact O-N 3.22Å; L84-G150 VanDerWaalsContact O-N 3.11Å; I148-G150 PolarHBondContact O-N 3.03Å
151T93.5Very high93Very high52 Ų5213 Ų1332%0.3198%0.084SC..EExtended strand (participates in β ladder)trans-96.2134.7-177.964.80000112.1I147 I148 G149 K153I147-T151 WeakPolarHBondContact CA-O 3.44Å; I148-T151 PolarHBondContact N-O 3.41Å; I148-T151 PolarHBondContact O-N 3.46Å; I148-T151 PolarHBondContact O-OG1 3.24Å; G149-T151 PolarHBondContact O-N 2.78Å; G149-T151 VanDerWaalsContact O-N 3.15Å; T151-K153 PolarHBondContact O-N 2.96Å; T151-K153 WeakPolarHBondContact OG1-CE 3.36Å
152E95.2Very high92.8Very high13 Ų1312.9 Ų12.96%0.0618%0.083CC..EExtended strand (participates in β ladder)trans-76.4120174.1-58.5-173.6167.500110.1R80 Y145 F146 V429 V430 R432 R692R80-E152 WeakPolarHBondContact CD-OE1 3.49Å; R80-E152 IonicContact CZ-OE1 2.71Å; R80-E152 IonicContact NE-OE1 3.22Å; R80-E152 PolarHBondContact NE-OE1 3.11Å; R80-E152 IonicContact NH2-OE1 3.05Å; Y145-E152 HydrophobicContact CD2-CB 3.81Å; Y145-E152 HydrophobicContact CD2-CG 4.02Å; Y145-E152 HydrophobicContact CE2-CB 3.92Å; Y145-E152 VanDerWaalsContact CE2-CD 3.41Å; Y145-E152 HydrophobicContact CE2-CG 3.59Å; Y145-E152 PolarHBondContact OH-OE1 3.08Å; F146-E152 CarbonylContact O-C 3.55Å; F146-E152 WeakPolarHBondContact O-CA 3.4Å; E152-V429 WeakPolarHBondContact O-CA 3.17Å; E152-V430 HydrophobicContact CB-CB 3.98Å; E152-V430 HydrophobicContact CB-CG2 3.86Å; E152-V430 PolarHBondContact O-N 2.97Å; E152-R432 IonicContact OE1-NE 3.33Å; E152-R432 IonicContact OE1-NH2 3.15Å; E152-R432 IonicContact OE2-CZ 3.79Å; E152-R432 IonicContact OE2-NE 3.64Å; E152-R432 PolarHBondContact OE2-NE 3.06Å; E152-R432 IonicContact OE2-NH2 2.69Å; E152-R432 PolarHBondContact OE2-NH2 3.4Å; E152-R432 VanDerWaalsContact OE2-NH2 3.13Å; E152-R692 IonicContact OE1-CZ 3.67Å; E152-R692 IonicContact OE1-NH1 3.34Å; E152-R692 PolarHBondContact OE1-NH1 3.21Å; E152-R692 IonicContact OE1-NH2 2.7Å; E152-R692 PolarHBondContact OE1-NH2 3.05Å; E152-R692 IonicContact OE2-NH1 2.77Å
153K95.7Very high92.7Very high26 Ų2614.8 Ų14.811%0.1139%0.09CC..EExtended strand (participates in β ladder)trans-121.4125-177.1-62.5-74.8179.3160.80110.4F146 T151 I409 S410 Q428 V429F146-K153 PolarHBondContact N-O 2.8Å; F146-K153 PolarHBondContact O-N 3.41Å; T151-K153 PolarHBondContact O-N 2.96Å; T151-K153 WeakPolarHBondContact OG1-CE 3.36Å; K153-I409 HydrophobicContact CB-CG2 4.18Å; K153-S410 PolarHBondContact NZ-O 2.83Å; K153-Q428 CarbonylContact C-O 3.51Å; K153-Q428 WeakPolarHBondContact CA-O 3.42Å; K153-V429 HydrophobicContact CD-CG2 4.14Å
154V95.1Very high92.6Very high1 Ų116.3 Ų16.31%0.00610%0.098CC..EExtended strand (participates in β ladder)trans-102.2139.8172.160.90000109.8L156 T427 Q428 V430 M442V154-L156 HydrophobicContact CG1-CD2 4.24Å; V154-T427 CarbonylContact O-C 3.6Å; V154-T427 VanDerWaalsContact O-CA 3.23Å; V154-T427 WeakPolarHBondContact O-CA 3.22Å; V154-Q428 HydrophobicContact CG1-CB 4.49Å; V154-Q428 PolarHBondContact N-O 3.02Å; V154-Q428 PolarHBondContact O-N 2.91Å; V154-V430 HydrophobicContact CB-CG2 4.02Å; V154-V430 HydrophobicContact CG1-CG2 4.25Å; V154-M442 HydrophobicContact CB-SD 4.22Å; V154-M442 HydrophobicContact CG2-SD 3.71Å
155V94.8Very high92.4Very high1 Ų117.4 Ų17.41%0.00610%0.101CC..EExtended strand (participates in β ladder)trans-93.4116.3171.7-1790000107.3H21 F146 A355 L358 V426 T427H21-V155 PolarHBondContact CE1-O 2.82Å; F146-V155 HydrophobicContact CD2-CG2 3.99Å; F146-V155 HydrophobicContact CE2-CG2 3.7Å; V155-A355 HydrophobicContact CB-CB 3.86Å; V155-A355 HydrophobicContact CG1-CB 4.02Å; V155-A355 HydrophobicContact CG2-CB 4.36Å; V155-L358 HydrophobicContact CG1-CD1 3.77Å; V155-V426 HydrophobicContact CG1-CG1 4.1Å; V155-T427 HydrophobicContact CB-CG2 4.49Å; V155-T427 HydrophobicContact CG2-CG2 3.88Å
156L93.8Very high92.1Very high0 Ų018.4 Ų18.40%011%0.107CC..PPolyproline II helixtrans-75.2142.9-178.4-61.9-176.4000111.5V154 Q158 V426 Q428 R444 T446V154-L156 HydrophobicContact CG1-CD2 4.24Å; L156-Q158 PolarHBondContact O-N 2.86Å; L156-Q158 PolarHBondContact O-NE2 3.32Å; L156-V426 PolarHBondContact N-O 2.96Å; L156-Q428 VanDerWaalsContact CD1-CD 3.44Å; L156-Q428 HydrophobicContact CD1-CG 3.93Å; L156-Q428 HydrophobicContact CG-CG 4.44Å; L156-R444 HydrophobicContact CD2-CB 4.18Å; L156-R444 HydrophobicContact CD2-CG 4.41Å; L156-T446 HydrophobicContact CB-CG2 4.3Å; L156-T446 HydrophobicContact CD1-CG2 3.61Å
157M94.4Very high91.9Very high0 Ų018.9 Ų18.90%011%0.109CC..EExtended strand (participates in β ladder)trans-64.1131.3174-62.9-175.9-81.700110.4I352 L354 T443 R444 M445 T446 V486M157-I352 HydrophobicContact CB-CG2 3.74Å; M157-I352 HydrophobicContact CG-CG2 4.3Å; M157-I352 HydrophobicContact SD-CG2 4.33Å; M157-L354 HydrophobicContact CG-CD2 3.65Å; M157-L354 HydrophobicContact SD-CD2 3.62Å; M157-T443 VanDerWaalsContact CE-O 3.25Å; M157-T443 WeakPolarHBondContact CE-O 3.1Å; M157-R444 WeakPolarHBondContact CE-O 3.39Å; M157-R444 PolarHBondContact N-O 3.17Å; M157-M445 HydrophobicContact CB-CB 3.97Å; M157-M445 HydrophobicContact CE-CB 4.44Å; M157-M445 CarbonylContact O-C 3.57Å; M157-M445 WeakPolarHBondContact O-CA 3.47Å; M157-T446 PolarHBondContact O-N 2.66Å; M157-V486 HydrophobicContact CE-CG2 3.55Å; M157-V486 HydrophobicContact SD-CG2 4.27Å
158Q92.6Very high91.6Very high13 Ų1319 Ų196%0.06111%0.109CC..EExtended strand (participates in β ladder)trans-107.4120.1-176.5-59.9-58.8-48.400110.8L156 I352 E353 L358 V426 T446L156-Q158 PolarHBondContact O-N 2.86Å; L156-Q158 PolarHBondContact O-NE2 3.32Å; Q158-I352 WeakPolarHBondContact O-CA 3.18Å; Q158-E353 HydrophobicContact CB-CB 4.33Å; Q158-E353 PolarHBondContact N-O 2.8Å; Q158-E353 PolarHBondContact O-N 3.06Å; Q158-L358 HydrophobicContact CG-CD1 4.01Å; Q158-V426 HydrophobicContact CG-CG1 4.41Å; Q158-T446 PolarHBondContact NE2-OG1 2.72Å; Q158-T446 PolarHBondContact OE1-OG1 3.04Å
159E91.8Very high91.4Very high5 Ų519.6 Ų19.62%0.02311%0.112CC..EExtended strand (participates in β ladder)trans-74.3127.4172-171.8-175.8125.400109.8Y347 K350 I352 M445 T446 Q448 K484E159-Y347 PolarHBondContact OE2-OH 2.8Å; E159-K350 HydrophobicContact CG-CB 4.37Å; E159-K350 HydrophobicContact CG-CD 4Å; E159-K350 HydrophobicContact CG-CG 4.45Å; E159-K350 WeakPolarHBondContact OE1-CD 3.48Å; E159-K350 WeakPolarHBondContact OE1-CE 3.38Å; E159-K350 IonicContact OE1-NZ 3.85Å; E159-K350 PolarHBondContact OE1-NZ 2.83Å; E159-I352 HydrophobicContact CB-CD1 4.14Å; E159-I352 HydrophobicContact CG-CD1 4.26Å; E159-M445 HydrophobicContact CB-CE 4.09Å; E159-M445 HydrophobicContact CG-CE 4.27Å; E159-M445 WeakPolarHBondContact OE2-CE 3.36Å; E159-T446 PolarHBondContact N-O 3.14Å; E159-Q448 WeakPolarHBondContact O-CG 3.32Å; E159-Q448 PolarHBondContact O-NE2 3.39Å; E159-K484 IonicContact OE2-NZ 2.8Å; E159-K484 PolarHBondContact OE2-NZ 3.28Å
160Q88.2Confident91.1Very high18 Ų1825 Ų258%0.08413%0.128CC..EExtended strand (participates in β ladder)trans-127.7162.3174.6-52-148-14.600111.2K163 K350 R351 E353 Q448Q160-K163 VanDerWaalsContact OE1-CE 3.3Å; Q160-K350 CarbonylContact O-C 3.6Å; Q160-K350 WeakPolarHBondContact O-CA 3.45Å; Q160-R351 PolarHBondContact N-O 3.14Å; Q160-R351 PolarHBondContact O-N 3.24Å; Q160-E353 HydrophobicContact CG-CG 4.14Å; Q160-E353 PolarHBondContact NE2-OE1 3.37Å; Q160-E353 PolarHBondContact NE2-OE2 3.05Å; Q160-E353 PolarHBondContact OE1-OE1 3.09Å; Q160-E353 VanDerWaalsContact OE1-OE1 3.1Å; Q160-Q448 VanDerWaalsContact CG-NE2 3.32Å
161T87.6Confident90.7Very high64 Ų6427.1 Ų27.139%0.39314%0.137SC..EExtended strand (participates in β ladder)trans-68.8143.9160.655.10000110.4
162S87.8Confident89.9Confident3 Ų330.4 Ų30.42%0.02116%0.162CC..PPolyproline II helixtrans-57.3137.6173.9176.70000110.4N349S162-N349 VanDerWaalsContact CB-O 3.24Å; S162-N349 WeakPolarHBondContact CB-O 3.38Å; S162-N349 PolarHBondContact N-O 2.81Å
163K87.5Confident89.2Confident57 Ų5739.1 Ų39.125%0.24820%0.199CC..SBendtrans-90.9160.2174.8-59.9166.3-171.5161.60108Q160 R165 T181 E353Q160-K163 VanDerWaalsContact OE1-CE 3.3Å; K163-R165 PolarHBondContact O-N 2.86Å; K163-R165 VanDerWaalsContact O-N 3.09Å; K163-T181 WeakPolarHBondContact CA-O 3.2Å; K163-E353 IonicContact NZ-OE1 2.74Å; K163-E353 PolarHBondContact NZ-OE1 3.14Å
164N90Very high88.1Confident33 Ų3343.8 Ų43.818%0.17622%0.216CC..SBendtrans57.424.3176.6-52.7-18.8000114.1T181 S182 S183 H309 G529N164-T181 PolarHBondContact N-O 3.42Å; N164-T181 PolarHBondContact OD1-O 3.28Å; N164-S182 WeakPolarHBondContact OD1-CA 3.42Å; N164-S183 PolarHBondContact ND2-O 2.9Å; N164-S183 PolarHBondContact OD1-N 3.19Å; N164-H309 HydrophobicContact CB-CB 4.32Å; N164-H309 VanDerWaalsContact CG-CB 3.47Å; N164-H309 VanDerWaalsContact OD1-CB 3.3Å; N164-H309 WeakPolarHBondContact OD1-CB 3.27Å; N164-G529 VanDerWaalsContact O-CA 3.27Å; N164-G529 WeakPolarHBondContact O-CA 3.32Å
165R88.2Confident87.5Confident25 Ų2545.4 Ų45.49%0.09423%0.234CC..  trans-119.4141.7176.5-168.3173.3-177.3159.75.5110.2K163 G348 N349 Y561 N622K163-R165 PolarHBondContact O-N 2.86Å; K163-R165 VanDerWaalsContact O-N 3.09Å; R165-G348 PolarHBondContact NH1-O 2.79Å; R165-N349 PolarHBondContact NE-OD1 2.97Å; R165-N349 PolarHBondContact NH1-OD1 2.82Å; R165-N349 VanDerWaalsContact NH1-OD1 3.1Å; R165-Y561 VanDerWaalsContact CZ-OH 3.31Å; R165-Y561 PolarHBondContact NH1-OH 2.87Å; R165-Y561 PolarHBondContact NH2-OH 3.08Å; R165-N622 PolarHBondContact NH1-OD1 3.49Å
166L91.1Very high87.2Confident21 Ų2146.9 Ų46.911%0.1124%0.241CC..EExtended strand (participates in β ladder)trans-75.3124.7170.8-59.8179.1000108.8V180 F323 M327 Y330L166-V180 HydrophobicContact CD2-CB 3.97Å; L166-V180 HydrophobicContact CD2-CG1 4.43Å; L166-V180 HydrophobicContact CD2-CG2 4.36Å; L166-F323 HydrophobicContact CD1-CE2 4.39Å; L166-F323 HydrophobicContact CD1-CZ 4.23Å; L166-F323 HydrophobicContact CD2-CD1 4.45Å; L166-F323 HydrophobicContact CD2-CE1 3.46Å; L166-F323 VanDerWaalsContact CD2-CE1 3.46Å; L166-F323 HydrophobicContact CD2-CE2 4.32Å; L166-F323 HydrophobicContact CD2-CZ 3.39Å; L166-F323 HydrophobicContact CG-CE1 4.32Å; L166-F323 HydrophobicContact CG-CE2 4.33Å; L166-F323 HydrophobicContact CG-CZ 3.78Å; L166-M327 HydrophobicContact CD1-CG 4.34Å; L166-M327 HydrophobicContact CD2-CE 4.3Å; L166-M327 HydrophobicContact CD2-CG 3.39Å; L166-M327 HydrophobicContact CD2-SD 3.94Å; L166-M327 HydrophobicContact CG-CG 4.48Å; L166-Y330 HydrophobicContact CD1-CD2 3.84Å; L166-Y330 HydrophobicContact CD1-CE2 3.63Å
167I90.6Very high87Confident11 Ų1147.4 Ų47.46%0.05624%0.244CC..EExtended strand (participates in β ladder)trans-125.7122.7177.2-53178.6000108E169 S179 D342I167-E169 HydrophobicContact CG2-CG 3.6Å; I167-S179 PolarHBondContact N-O 3.2Å; I167-S179 PolarHBondContact O-N 3.24Å; I167-D342 HydrophobicContact CG2-CB 4.12Å
168I91.7Very high86.9Confident1 Ų147.4 Ų47.41%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-99.5121.3175.4-55.9175.5000109C178 A334 D342 Y566I168-C178 HydrophobicContact CG1-CB 4.43Å; I168-A334 HydrophobicContact CD1-CB 4.32Å; I168-A334 HydrophobicContact CG2-CB 4.03Å; I168-D342 PolarHBondContact N-OD2 3.39Å; I168-D342 PolarHBondContact O-N 2.93Å; I168-Y566 HydrophobicContact CD1-CE1 3.93Å
169E88.2Confident86.9Confident20 Ų2046.9 Ų46.99%0.09324%0.242CC..EExtended strand (participates in β ladder)trans-127.8141.8-172.2-53.8174.4148.300109.5I167 L176 V177 R344I167-E169 HydrophobicContact CG2-CG 3.6Å; E169-L176 WeakPolarHBondContact O-CA 3.27Å; E169-V177 PolarHBondContact N-O 3.37Å; E169-V177 PolarHBondContact O-N 2.97Å; E169-R344 VanDerWaalsContact CD-CZ 3.49Å; E169-R344 IonicContact OE1-CZ 3.4Å; E169-R344 IonicContact OE1-NE 3.54Å; E169-R344 PolarHBondContact OE1-NE 3.01Å; E169-R344 IonicContact OE1-NH2 2.79Å; E169-R344 PolarHBondContact OE1-NH2 2.63Å; E169-R344 IonicContact OE2-CZ 3.02Å; E169-R344 IonicContact OE2-NE 3.89Å; E169-R344 PolarHBondContact OE2-NE 3.27Å; E169-R344 IonicContact OE2-NH2 2.62Å; E169-R344 PolarHBondContact OE2-NH2 2.86Å
170E85.2Confident86.9Confident148 Ų14846.7 Ų46.769%0.69224%0.242SC*.EExtended strand (participates in β ladder)trans-92.3111.4171-165.6174.9-176.100108.9L176E170-L176 HydrophobicContact CB-CD2 4.13Å; E170-L176 HydrophobicContact CG-CD2 4.26Å
171D80.9Confident86.9Confident58 Ų5847.8 Ų47.831%0.3125%0.25SC..EExtended strand (participates in β ladder)trans-98.1123.8173.4-176.92.6000109.6K173 R174 G175 V177D171-K173 PolarHBondContact O-N 2.9Å; D171-K173 PolarHBondContact OD1-N 2.8Å; D171-R174 HydrophobicContact CB-CB 4.1Å; D171-R174 PolarHBondContact O-N 3.43Å; D171-R174 VanDerWaalsContact O-N 3.16Å; D171-R174 WeakPolarHBondContact OD2-CG 3.3Å; D171-G175 PolarHBondContact N-O 3.14Å; D171-G175 WeakPolarHBondContact O-CA 3.15Å; D171-G175 PolarHBondContact O-N 3.46Å; D171-V177 HydrophobicContact CB-CG2 4.44Å
172S78Confident86.7Confident121 Ų12144.8 Ų44.885%0.84623%0.231SC*.THydrogen-bonded Turntrans-44.8-30.917657.40000115.3
173K80.1Confident86.3Confident195 Ų19545.9 Ų45.985%0.84824%0.239SC*.THydrogen-bonded Turntrans-103-30.6-178.8-67-174.1179.7-175.70114.6D171D171-K173 PolarHBondContact O-N 2.9Å; D171-K173 PolarHBondContact OD1-N 2.8Å
174R72Confident85.5Confident124 Ų12444.8 Ų44.847%0.46824%0.238SC..THydrogen-bonded Turntrans-106.3-1.9-171.4-63.2-178.6177-157.8-2.8112.9D171 V177 V194D171-R174 HydrophobicContact CB-CB 4.1Å; D171-R174 PolarHBondContact O-N 3.43Å; D171-R174 VanDerWaalsContact O-N 3.16Å; D171-R174 WeakPolarHBondContact OD2-CG 3.3Å; R174-V177 HydrophobicContact CB-CG2 3.86Å; R174-V194 HydrophobicContact CB-CG1 4.13Å
175G83.1Confident84.3Confident36 Ų3647.2 Ų47.237%0.37126%0.263SS..EExtended strand (participates in β ladder)trans68.1-146.5-170.600000110.9D171D171-G175 PolarHBondContact N-O 3.14Å; D171-G175 WeakPolarHBondContact O-CA 3.15Å; D171-G175 PolarHBondContact O-N 3.46Å
176L87.8Confident83.1Confident31 Ų3153.2 Ų53.216%0.16229%0.292CS..EExtended strand (participates in β ladder)trans-71.6132.7177.2-65.6167.3000110.7E169 E170 L331 A334 N335E169-L176 WeakPolarHBondContact O-CA 3.27Å; E170-L176 HydrophobicContact CB-CD2 4.13Å; E170-L176 HydrophobicContact CG-CD2 4.26Å; L176-L331 HydrophobicContact CB-CD1 3.61Å; L176-A334 HydrophobicContact CD1-CB 4.27Å; L176-N335 HydrophobicContact CD1-CB 4.14Å
177V91Very high82Confident11 Ų1154.3 Ų54.37%0.06730%0.3CS..EExtended strand (participates in β ladder)trans-130.7126.7178.1179.80000109E169 D171 R174 N192 I193 V194E169-V177 PolarHBondContact N-O 3.37Å; E169-V177 PolarHBondContact O-N 2.97Å; D171-V177 HydrophobicContact CB-CG2 4.44Å; R174-V177 HydrophobicContact CB-CG2 3.86Å; V177-N192 HydrophobicContact CG1-CB 4.07Å; V177-I193 WeakPolarHBondContact CA-O 3.36Å; V177-V194 HydrophobicContact CG1-CG2 4.05Å; V177-V194 HydrophobicContact CG2-CG1 4.38Å; V177-V194 HydrophobicContact CG2-CG2 4.04Å
178C92.4Very high81.2Confident0 Ų057.3 Ų57.30%031%0.312CS..EExtended strand (participates in β ladder)trans-95120.7168.6-173.60000108.8I168 N192 I193 M327 L331I168-C178 HydrophobicContact CG1-CB 4.43Å; C178-N192 CarbonylContact O-C 3.6Å; C178-N192 WeakPolarHBondContact O-CA 3.42Å; C178-I193 PolarHBondContact N-O 3.34Å; C178-I193 PolarHBondContact O-N 3.47Å; C178-M327 HydrophobicContact CB-CE 4.34Å; C178-M327 WeakPolarHBondContact O-CE 3.44Å; C178-L331 HydrophobicContact CB-CB 4.48Å; C178-L331 HydrophobicContact CB-CD1 4.41Å
179S91.4Very high80.7Confident3 Ų358 Ų582%0.02132%0.317CS..EExtended strand (participates in β ladder)trans-123.3147-179.674.60000112.5I167 N192I167-S179 PolarHBondContact N-O 3.2Å; I167-S179 PolarHBondContact O-N 3.24Å; S179-N192 WeakPolarHBondContact CB-OD1 3.31Å
180V91.2Very high80.6Confident1 Ų161.4 Ų61.41%0.00633%0.331CS..EExtended strand (participates in β ladder)trans-137.7129.6170.861.60000109.5L166 K190 T191 I307 F323 M327L166-V180 HydrophobicContact CD2-CB 3.97Å; L166-V180 HydrophobicContact CD2-CG1 4.43Å; L166-V180 HydrophobicContact CD2-CG2 4.36Å; V180-K190 WeakPolarHBondContact O-CA 3.42Å; V180-T191 WeakPolarHBondContact CG1-OG1 3.3Å; V180-T191 PolarHBondContact N-O 2.9Å; V180-T191 PolarHBondContact O-N 3.17Å; V180-T191 PolarHBondContact O-OG1 3.33Å; V180-I307 HydrophobicContact CG1-CG1 4.37Å; V180-F323 HydrophobicContact CG1-CE1 4.24Å; V180-F323 HydrophobicContact CG2-CE1 4.29Å; V180-F323 HydrophobicContact CG2-CZ 4.32Å; V180-M327 HydrophobicContact CB-CE 4.41Å; V180-M327 HydrophobicContact CG1-CE 3.82Å; V180-M327 HydrophobicContact CG1-SD 3.83Å
181T88.5Confident80.8Confident41 Ų4154.3 Ų54.325%0.25230%0.298SS..EExtended strand (participates in β ladder)trans-98.899.5173.3-56.70000108.1K163 N164 S189K163-T181 WeakPolarHBondContact CA-O 3.2Å; N164-T181 PolarHBondContact N-O 3.42Å; N164-T181 PolarHBondContact OD1-O 3.28Å; T181-S189 CarbonylContact C-O 3.52Å; T181-S189 WeakPolarHBondContact CA-O 2.97Å
182S83.8Confident81.3Confident0 Ų052.8 Ų52.80%029%0.29CS..EExtended strand (participates in β ladder)trans-78.6122.7178.6-61.30000109.9N164 K188 S189 I307 H309N164-S182 WeakPolarHBondContact OD1-CA 3.42Å; S182-K188 CarbonylContact O-C 3.38Å; S182-K188 VanDerWaalsContact O-CA 3.29Å; S182-K188 WeakPolarHBondContact O-CA 3.1Å; S182-S189 PolarHBondContact N-O 2.81Å; S182-S189 PolarHBondContact O-N 2.81Å; S182-I307 WeakPolarHBondContact OG-CA 3.36Å; S182-H309 WeakPolarHBondContact CB-ND1 3.35Å; S182-H309 PolarHBondContact OG-CE1 2.97Å; S182-H309 PolarHBondContact OG-ND1 3.29Å
183S78.9Confident82Confident27 Ų2747 Ų4719%0.18925%0.25CC..EExtended strand (participates in β ladder)trans-123.2108.9173.6-173.60000108.3N164 K188N164-S183 PolarHBondContact ND2-O 2.9Å; N164-S183 PolarHBondContact OD1-N 3.19Å; S183-K188 WeakPolarHBondContact OG-CE 3.44Å
184S72.4Confident82.6Confident34 Ų3437.9 Ų37.924%0.23821%0.21CC..  trans-105.3170.6164.372.30000109.5Q186 T187S184-Q186 PolarHBondContact O-N 2.92Å; S184-Q186 VanDerWaalsContact O-N 3.14Å; S184-Q186 PolarHBondContact OG-N 3.4Å; S184-T187 PolarHBondContact N-O 3.24Å; S184-T187 PolarHBondContact OG-N 3.02Å; S184-T187 VanDerWaalsContact OG-N 3.08Å; S184-T187 PolarHBondContact OG-O 3.43Å; S184-T187 PolarHBondContact OG-OG1 2.99Å
185A64.5Low83.4Confident84 Ų8433.9 Ų33.969%0.69420%0.2SC*.SBendtrans-58.8-22173.300000113
186Q63.1Low83.5Confident151 Ų15136.6 Ų36.671%0.70620%0.201SC*.SBendtrans-99.2-42.3-176.7-63.4-175.9-1.400112.9S184S184-Q186 PolarHBondContact O-N 2.92Å; S184-Q186 VanDerWaalsContact O-N 3.14Å; S184-Q186 PolarHBondContact OG-N 3.4Å
187T68.2Low83.3Confident44 Ų4441.8 Ų41.827%0.2723%0.229SC..  trans-141.4141.6-169.555.90000112.3S184 D304 T308S184-T187 PolarHBondContact N-O 3.24Å; S184-T187 PolarHBondContact OG-N 3.02Å; S184-T187 VanDerWaalsContact OG-N 3.08Å; S184-T187 PolarHBondContact OG-O 3.43Å; S184-T187 PolarHBondContact OG-OG1 2.99Å; T187-D304 WeakPolarHBondContact CG2-O 3.41Å; T187-D304 PolarHBondContact OG1-O 3.25Å; T187-D304 VanDerWaalsContact OG1-O 3.07Å; T187-T308 WeakPolarHBondContact OG1-CB 3.38Å; T187-T308 VanDerWaalsContact OG1-CG2 3.27Å; T187-T308 WeakPolarHBondContact OG1-CG2 3.18Å; T187-T308 PolarHBondContact OG1-OG1 2.98Å
188K72.7Confident83Confident74 Ų7446.6 Ų46.632%0.32226%0.255SS..EExtended strand (participates in β ladder)trans-113.5118.9169.4-66.9-180-178169.50108.7S182 S183 F419S182-K188 CarbonylContact O-C 3.38Å; S182-K188 VanDerWaalsContact O-CA 3.29Å; S182-K188 WeakPolarHBondContact O-CA 3.1Å; S183-K188 WeakPolarHBondContact OG-CE 3.44Å; K188-F419 HydrophobicContact CD-CD1 4.17Å
189S81.4Confident82.8Confident14 Ų1449 Ų4910%0.09827%0.265CS..EExtended strand (participates in β ladder)trans-136.3146.2179.7640000111T181 S182 I305T181-S189 CarbonylContact C-O 3.52Å; T181-S189 WeakPolarHBondContact CA-O 2.97Å; S182-S189 PolarHBondContact N-O 2.81Å; S182-S189 PolarHBondContact O-N 2.81Å; S189-I305 VanDerWaalsContact CB-O 3.23Å; S189-I305 WeakPolarHBondContact CB-O 3.46Å; S189-I305 PolarHBondContact OG-O 2.6Å
190K86.1Confident82.9Confident92 Ų9249.3 Ų49.340%0.427%0.266SS..EExtended strand (participates in β ladder)trans-111.6118.7173.8-173.7175.5-175.7177.30108.4V180 N192 H204V180-K190 WeakPolarHBondContact O-CA 3.42Å; K190-N192 WeakPolarHBondContact CE-OD1 3.27Å; K190-H204 PolarHBondContact O-CD2 3.2Å; K190-H204 VanDerWaalsContact O-CD2 3.24Å
191T89.8Confident83Confident0 Ų050.8 Ų50.80%027%0.272CS..EExtended strand (participates in β ladder)trans-109.2124.9176.845.60000108.6V180 I306 I307V180-T191 WeakPolarHBondContact CG1-OG1 3.3Å; V180-T191 PolarHBondContact N-O 2.9Å; V180-T191 PolarHBondContact O-N 3.17Å; V180-T191 PolarHBondContact O-OG1 3.33Å; T191-I306 HydrophobicContact CG2-CG2 4.07Å; T191-I307 HydrophobicContact CG2-CG1 4.46Å
192N91.2Very high83.2Confident26 Ų2648.8 Ų48.814%0.13926%0.26CS..EExtended strand (participates in β ladder)trans-117.1139.2178.5-52.4-46.3000109.3V177 C178 S179 K190 L202 S203V177-N192 HydrophobicContact CG1-CB 4.07Å; C178-N192 CarbonylContact O-C 3.6Å; C178-N192 WeakPolarHBondContact O-CA 3.42Å; S179-N192 WeakPolarHBondContact CB-OD1 3.31Å; K190-N192 WeakPolarHBondContact CE-OD1 3.27Å; N192-L202 CarbonylContact O-C 3.59Å; N192-L202 WeakPolarHBondContact O-CA 3.23Å; N192-S203 PolarHBondContact N-O 2.89Å; N192-S203 PolarHBondContact O-N 3.39Å
193I93Very high83.4Confident0 Ų049.6 Ų49.60%027%0.265CS..EExtended strand (participates in β ladder)trans-110.7125.7167.7-67.5170.9000107.7V177 C178 F200 Y201 L202 I213 L324 M327 V328 L331V177-I193 WeakPolarHBondContact CA-O 3.36Å; C178-I193 PolarHBondContact N-O 3.34Å; C178-I193 PolarHBondContact O-N 3.47Å; I193-F200 HydrophobicContact CG2-CD1 4.48Å; I193-Y201 WeakPolarHBondContact CA-O 3.34Å; I193-L202 HydrophobicContact CG1-CD1 4.26Å; I193-I213 HydrophobicContact CD1-CD1 3.96Å; I193-I213 HydrophobicContact CG1-CD1 4.29Å; I193-L324 HydrophobicContact CD1-CD2 4.19Å; I193-M327 HydrophobicContact CD1-CB 3.54Å; I193-M327 HydrophobicContact CD1-CE 3.97Å; I193-M327 HydrophobicContact CD1-CG 4.34Å; I193-M327 HydrophobicContact CD1-SD 3.98Å; I193-M327 HydrophobicContact CG1-CE 4.19Å; I193-V328 HydrophobicContact CD1-CG2 4.06Å; I193-V328 HydrophobicContact CG2-CG2 4.39Å; I193-L331 HydrophobicContact CG2-CD2 3.88Å
194V91.2Very high83.8Confident2 Ų249.1 Ų49.11%0.01226%0.26CS..EExtended strand (participates in β ladder)trans-124142.7-175.2-1760000108.6R174 V177 K196 Y201R174-V194 HydrophobicContact CB-CG1 4.13Å; V177-V194 HydrophobicContact CG1-CG2 4.05Å; V177-V194 HydrophobicContact CG2-CG1 4.38Å; V177-V194 HydrophobicContact CG2-CG2 4.04Å; V194-K196 HydrophobicContact CG1-CG 4.36Å; V194-Y201 PolarHBondContact N-O 2.86Å; V194-Y201 PolarHBondContact O-N 2.97Å
195T88.6Confident84.4Confident40 Ų4052.7 Ų52.725%0.24528%0.276CS..EExtended strand (participates in β ladder)trans-92126.8171.3-49.60000110K199 F200 L331T195-K199 WeakPolarHBondContact CA-O 3.2Å; T195-F200 HydrophobicContact CG2-CE1 4.36Å; T195-F200 WeakPolarHBondContact OG1-CE1 3.48Å; T195-L331 WeakPolarHBondContact OG1-CD2 3.41Å
196K86.4Confident85.3Confident93 Ų9350 Ų5040%0.40425%0.252SS..EExtended strand (participates in β ladder)trans-133.5126.5171.5-65.1177.7172.2-179.50108.2V194 D198 K199 Y201 D210V194-K196 HydrophobicContact CG1-CG 4.36Å; K196-D198 VanDerWaalsContact C-N 3.27Å; K196-D198 PolarHBondContact O-N 3.08Å; K196-K199 PolarHBondContact N-O 2.93Å; K196-K199 WeakPolarHBondContact O-CA 3.33Å; K196-K199 WeakPolarHBondContact O-CB 3.44Å; K196-K199 PolarHBondContact O-N 2.64Å; K196-Y201 HydrophobicContact CB-CD2 3.92Å; K196-Y201 HydrophobicContact CB-CE2 3.81Å; K196-Y201 HydrophobicContact CD-CD2 4.24Å; K196-Y201 HydrophobicContact CG-CD2 4.3Å; K196-D210 IonicContact NZ-OD2 3.77Å; K196-D210 PolarHBondContact NZ-OD2 3.44Å
197D83.4Confident86.4Confident140 Ų14043 Ų4375%0.74922%0.22SC*.THydrogen-bonded Turntrans49.745.9-179.3-49.5-36.8000112.9K199D197-K199 WeakPolarHBondContact O-CG 3.43Å; D197-K199 PolarHBondContact O-N 3.49Å; D197-K199 VanDerWaalsContact O-N 3.11Å
198D84Confident87.3Confident113 Ų11345.6 Ų45.660%0.60423%0.231SC*.THydrogen-bonded Turntrans57.820.1-175.5-56.2-37.9000115.3K196K196-D198 VanDerWaalsContact C-N 3.27Å; K196-D198 PolarHBondContact O-N 3.08Å
199K89.7Confident88.1Confident49 Ų4945.6 Ų45.621%0.21324%0.237CC..EExtended strand (participates in β ladder)trans-116.3147.6176.7-59.5165-172-175.20110.8T195 K196 D197 Y201 P244 L248T195-K199 WeakPolarHBondContact CA-O 3.2Å; K196-K199 PolarHBondContact N-O 2.93Å; K196-K199 WeakPolarHBondContact O-CA 3.33Å; K196-K199 WeakPolarHBondContact O-CB 3.44Å; K196-K199 PolarHBondContact O-N 2.64Å; D197-K199 WeakPolarHBondContact O-CG 3.43Å; D197-K199 PolarHBondContact O-N 3.49Å; D197-K199 VanDerWaalsContact O-N 3.11Å; K199-Y201 HydrophobicContact CB-CD2 4.42Å; K199-Y201 HydrophobicContact CB-CE2 3.65Å; K199-P244 HydrophobicContact CG-CB 4.18Å; K199-L248 HydrophobicContact CD-CD1 3.77Å
200F92.7Very high88.6Confident10 Ų1046.6 Ų46.64%0.04424%0.241CC..EExtended strand (participates in β ladder)trans-98.8123.3-176.6-61.2-71.9000112.1I193 T195 I213 N241 F242 S245 V328 L331 I332I193-F200 HydrophobicContact CG2-CD1 4.48Å; T195-F200 HydrophobicContact CG2-CE1 4.36Å; T195-F200 WeakPolarHBondContact OG1-CE1 3.48Å; F200-I213 HydrophobicContact CB-CB 4.39Å; F200-I213 HydrophobicContact CB-CG2 3.72Å; F200-I213 PolarHBondContact O-N 2.94Å; F200-N241 WeakPolarHBondContact CE2-O 3.42Å; F200-F242 AromaticContact CD2-CD2 3.67Å; F200-F242 HydrophobicContact CD2-CD2 3.67Å; F200-F242 HydrophobicContact CD2-CE2 4.05Å; F200-F242 HydrophobicContact CE2-CD2 4.05Å; F200-S245 PolarHBondContact N-OG 2.69Å; F200-V328 HydrophobicContact CD1-CG1 4.3Å; F200-V328 HydrophobicContact CD2-CG1 3.94Å; F200-V328 HydrophobicContact CE1-CG1 4.47Å; F200-V328 HydrophobicContact CE2-CG1 4.14Å; F200-V328 HydrophobicContact CG-CG1 4.04Å; F200-V328 HydrophobicContact CZ-CG1 4.42Å; F200-L331 HydrophobicContact CD1-CD2 3.85Å; F200-L331 HydrophobicContact CE1-CD2 3.85Å; F200-L331 HydrophobicContact CE1-CG 4.3Å; F200-I332 HydrophobicContact CE1-CG1 4.13Å; F200-I332 HydrophobicContact CE2-CD1 3.99Å; F200-I332 HydrophobicContact CE2-CG1 4Å; F200-I332 HydrophobicContact CZ-CD1 3.91Å; F200-I332 HydrophobicContact CZ-CG1 3.39Å
201Y93.2Very high88.8Confident32 Ų3242.3 Ų42.313%0.12522%0.222CC..EExtended strand (participates in β ladder)trans-122.1137.4179-62.4-95000111.8I193 V194 K196 K199 D210 V211 P212 L248I193-Y201 WeakPolarHBondContact CA-O 3.34Å; V194-Y201 PolarHBondContact N-O 2.86Å; V194-Y201 PolarHBondContact O-N 2.97Å; K196-Y201 HydrophobicContact CB-CD2 3.92Å; K196-Y201 HydrophobicContact CB-CE2 3.81Å; K196-Y201 HydrophobicContact CD-CD2 4.24Å; K196-Y201 HydrophobicContact CG-CD2 4.3Å; K199-Y201 HydrophobicContact CB-CD2 4.42Å; K199-Y201 HydrophobicContact CB-CE2 3.65Å; Y201-D210 HydrophobicContact CD1-CB 4.3Å; Y201-D210 HydrophobicContact CG-CB 4.37Å; Y201-V211 CarbonylContact C-O 3.53Å; Y201-V211 WeakPolarHBondContact CA-O 3.48Å; Y201-P212 HydrophobicContact CD1-CB 4.41Å; Y201-P212 HydrophobicContact CD1-CG 4.04Å; Y201-P212 HydrophobicContact CE1-CB 4.39Å; Y201-P212 HydrophobicContact CE1-CG 3.82Å; Y201-L248 HydrophobicContact CE1-CD1 4.49Å; Y201-L248 WeakPolarHBondContact OH-CD1 3.41Å
202L92.2Very high89Confident0 Ų042.5 Ų42.50%022%0.224CC..EExtended strand (participates in β ladder)trans-80.1114.6164.6-17885.5000109.7N192 I193 H204 F207 D210 V211 I213 L216 I306N192-L202 CarbonylContact O-C 3.59Å; N192-L202 WeakPolarHBondContact O-CA 3.23Å; I193-L202 HydrophobicContact CG1-CD1 4.26Å; L202-H204 HydrophobicContact CD2-CB 4.15Å; L202-H204 HydrophobicContact CG-CB 4.37Å; L202-F207 HydrophobicContact CD2-CE2 4.13Å; L202-D210 WeakPolarHBondContact O-CA 3.49Å; L202-V211 HydrophobicContact CB-CB 4.37Å; L202-V211 PolarHBondContact N-O 2.91Å; L202-V211 PolarHBondContact O-N 2.9Å; L202-I213 HydrophobicContact CB-CD1 4.17Å; L202-L216 HydrophobicContact CD2-CD2 3.88Å; L202-I306 HydrophobicContact CD2-CD1 3.84Å
203S89.4Confident89Confident17 Ų1741.2 Ų41.212%0.11922%0.217CC..EExtended strand (participates in β ladder)trans-96.6108.1170.5-164.40000109.9N192 D210N192-S203 PolarHBondContact N-O 2.89Å; N192-S203 PolarHBondContact O-N 3.39Å; S203-D210 WeakPolarHBondContact CA-OD1 3.5Å; S203-D210 WeakPolarHBondContact CB-OD1 3.37Å; S203-D210 PolarHBondContact OG-OD1 3.07Å
204H87.3Confident89Confident17 Ų1741.2 Ų41.28%0.07922%0.217CC..  trans-137.1139.6-179.7-171.4-91.7000111.8K190 L202 S206 F207 I305K190-H204 PolarHBondContact O-CD2 3.2Å; K190-H204 VanDerWaalsContact O-CD2 3.24Å; L202-H204 HydrophobicContact CD2-CB 4.15Å; L202-H204 HydrophobicContact CG-CB 4.37Å; H204-S206 PolarHBondContact CE1-OG 2.9Å; H204-S206 WeakPolarHBondContact ND1-CB 3.09Å; H204-S206 PolarHBondContact ND1-N 2.73Å; H204-S206 PolarHBondContact ND1-OG 3.18Å; H204-S206 PolarHBondContact O-N 3.37Å; H204-F207 HydrophobicContact CB-CD2 4.09Å; H204-F207 PolarHBondContact O-N 3.44Å; H204-F207 VanDerWaalsContact O-N 3.08Å; H204-I305 WeakPolarHBondContact CE1-CG2 3.47Å
205N84.1Confident89.1Confident109 Ų10941.1 Ų41.158%0.58322%0.216SC*.THydrogen-bonded Turntrans-61.6-18.2-172.2-74.5-30.1000115.2R269N205-R269 WeakPolarHBondContact O-CD 3.33Å
206S84.1Confident89.2Confident27 Ų2739.2 Ų39.219%0.18921%0.205CC..THydrogen-bonded Turntrans-81-18.4179.4-56.40000113.7H204 R269H204-S206 PolarHBondContact CE1-OG 2.9Å; H204-S206 WeakPolarHBondContact ND1-CB 3.09Å; H204-S206 PolarHBondContact ND1-N 2.73Å; H204-S206 PolarHBondContact ND1-OG 3.18Å; H204-S206 PolarHBondContact O-N 3.37Å; S206-R269 WeakPolarHBondContact O-CB 3.08Å; S206-R269 PolarHBondContact O-N 2.97Å
207F85.6Confident89.5Confident5 Ų534.8 Ų34.82%0.02219%0.186CC..BIsolated β-bridgetrans-97.5150.6177.2-60.8-70000110.4L202 H204 V209 V211 L264 L268 R269 F301 I306L202-F207 HydrophobicContact CD2-CE2 4.13Å; H204-F207 HydrophobicContact CB-CD2 4.09Å; H204-F207 PolarHBondContact O-N 3.44Å; H204-F207 VanDerWaalsContact O-N 3.08Å; F207-V209 VanDerWaalsContact CB-O 3.29Å; F207-V209 WeakPolarHBondContact CB-O 3.47Å; F207-V211 HydrophobicContact CB-CG2 3.95Å; F207-V211 HydrophobicContact CD1-CG2 3.87Å; F207-V211 HydrophobicContact CD2-CG2 3.58Å; F207-V211 HydrophobicContact CE1-CG2 4.24Å; F207-V211 HydrophobicContact CE2-CG2 3.99Å; F207-V211 HydrophobicContact CG-CG2 3.52Å; F207-V211 HydrophobicContact CZ-CG2 4.3Å; F207-L264 HydrophobicContact CE1-CB 4.5Å; F207-L264 HydrophobicContact CE1-CD2 3.98Å; F207-L264 HydrophobicContact CZ-CD2 4.19Å; F207-L268 HydrophobicContact CD1-CD1 4.1Å; F207-L268 HydrophobicContact CE1-CD1 3.71Å; F207-L268 HydrophobicContact CZ-CD1 4.47Å; F207-R269 PolarHBondContact O-NE 3.24Å; F207-F301 HydrophobicContact CE1-CE1 4.27Å; F207-F301 HydrophobicContact CE2-CE1 4.25Å; F207-F301 AromaticContact CZ-CE1 3.68Å; F207-F301 HydrophobicContact CZ-CE1 3.68Å; F207-F301 HydrophobicContact CZ-CZ 4.3Å; F207-I306 HydrophobicContact CE2-CD1 4.06Å; F207-I306 HydrophobicContact CZ-CD1 4.41Å
208I86.6Confident89.9Confident98 Ų9828.5 Ų28.550%0.50315%0.152SC..SBendtrans-73.3-37175.7-61.5166.9000110.2R267 R269I208-R267 WeakPolarHBondContact CG1-O 3.4Å; I208-R267 PolarHBondContact N-O 3.45Å; I208-R269 HydrophobicContact CB-CG 4.49Å; I208-R269 HydrophobicContact CG1-CG 3.49Å; I208-R269 VanDerWaalsContact CG1-CG 3.49Å
209V90.4Very high90.2Very high73 Ų7323.1 Ų23.144%0.44212%0.123SC..SBendtrans-123.3153.8-176.3-1730000108.6F207 V211F207-V209 VanDerWaalsContact CB-O 3.29Å; F207-V209 WeakPolarHBondContact CB-O 3.47Å; V209-V211 PolarHBondContact O-N 3.49Å
210D90.5Very high90.1Very high36 Ų3621.1 Ų21.119%0.19311%0.114CC..PPolyproline II helixtrans-64.8133.2172.3-57.4-41.6000110K196 Y201 L202 S203K196-D210 IonicContact NZ-OD2 3.77Å; K196-D210 PolarHBondContact NZ-OD2 3.44Å; Y201-D210 HydrophobicContact CD1-CB 4.3Å; Y201-D210 HydrophobicContact CG-CB 4.37Å; L202-D210 WeakPolarHBondContact O-CA 3.49Å; S203-D210 WeakPolarHBondContact CA-OD1 3.5Å; S203-D210 WeakPolarHBondContact CB-OD1 3.37Å; S203-D210 PolarHBondContact OG-OD1 3.07Å
211V91.8Very high89.9Confident1 Ų125.8 Ų25.81%0.00614%0.139CC..EExtended strand (participates in β ladder)trans-94.2122.9-170.9172.20000109.7Y201 L202 F207 V209 I213 W263 L264Y201-V211 CarbonylContact C-O 3.53Å; Y201-V211 WeakPolarHBondContact CA-O 3.48Å; L202-V211 HydrophobicContact CB-CB 4.37Å; L202-V211 PolarHBondContact N-O 2.91Å; L202-V211 PolarHBondContact O-N 2.9Å; F207-V211 HydrophobicContact CB-CG2 3.95Å; F207-V211 HydrophobicContact CD1-CG2 3.87Å; F207-V211 HydrophobicContact CD2-CG2 3.58Å; F207-V211 HydrophobicContact CE1-CG2 4.24Å; F207-V211 HydrophobicContact CE2-CG2 3.99Å; F207-V211 HydrophobicContact CG-CG2 3.52Å; F207-V211 HydrophobicContact CZ-CG2 4.3Å; V209-V211 PolarHBondContact O-N 3.49Å; V211-I213 PolarHBondContact O-N 2.78Å; V211-W263 HydrophobicContact CG1-CZ3 4.17Å; V211-W263 HydrophobicContact CG2-CZ3 4.28Å; V211-L264 HydrophobicContact CB-CD2 4.42Å; V211-L264 HydrophobicContact CG1-CD2 3.51Å; V211-L264 HydrophobicContact CG2-CD2 3.99Å
212P93.5Very high89.6Confident4 Ų424.8 Ų24.83%0.02614%0.136CC..EExtended strand (participates in β ladder)trans-55129.6172.2-21.929.6000111.6Y201 A214 I215 L216 L248 Y252 W263Y201-P212 HydrophobicContact CD1-CB 4.41Å; Y201-P212 HydrophobicContact CD1-CG 4.04Å; Y201-P212 HydrophobicContact CE1-CB 4.39Å; Y201-P212 HydrophobicContact CE1-CG 3.82Å; P212-A214 VanDerWaalsContact C-N 3.26Å; P212-A214 PolarHBondContact O-N 3.12Å; P212-I215 HydrophobicContact CB-CD1 3.87Å; P212-I215 HydrophobicContact CB-CG1 4.12Å; P212-I215 HydrophobicContact CG-CD1 3.65Å; P212-I215 HydrophobicContact CG-CG1 4.43Å; P212-I215 PolarHBondContact O-N 2.89Å; P212-I215 VanDerWaalsContact O-N 3.14Å; P212-L216 PolarHBondContact O-N 2.98Å; P212-L248 HydrophobicContact CB-CD2 3.47Å; P212-L248 VanDerWaalsContact CB-CD2 3.47Å; P212-L248 HydrophobicContact CG-CD2 3.39Å; P212-Y252 HydrophobicContact CG-CE2 4.26Å; P212-W263 HydrophobicContact CG-CH2 4.38Å
213I92.3Very high89.4Confident0 Ų027.8 Ų27.80%016%0.155CC..Hα-helixtrans-64.4-32.6-170-16070.9000112.5I193 F200 L202 V211 I215 L216 F217 F242 L324 V328I193-I213 HydrophobicContact CD1-CD1 3.96Å; I193-I213 HydrophobicContact CG1-CD1 4.29Å; F200-I213 HydrophobicContact CB-CB 4.39Å; F200-I213 HydrophobicContact CB-CG2 3.72Å; F200-I213 PolarHBondContact O-N 2.94Å; L202-I213 HydrophobicContact CB-CD1 4.17Å; V211-I213 PolarHBondContact O-N 2.78Å; I213-I215 VanDerWaalsContact C-N 3.33Å; I213-I215 PolarHBondContact O-N 3.22Å; I213-L216 HydrophobicContact CD1-CD2 3.98Å; I213-L216 VanDerWaalsContact O-CB 3.31Å; I213-L216 WeakPolarHBondContact O-CB 3.3Å; I213-L216 PolarHBondContact O-N 3.31Å; I213-L216 VanDerWaalsContact O-N 3.13Å; I213-F217 HydrophobicContact CG1-CD2 4.18Å; I213-F217 HydrophobicContact CG1-CE2 3.78Å; I213-F217 WeakPolarHBondContact O-CD2 3.27Å; I213-F217 PolarHBondContact O-N 3.46Å; I213-F217 VanDerWaalsContact O-N 3.13Å; I213-F242 HydrophobicContact CG2-CE2 3.46Å; I213-F242 VanDerWaalsContact CG2-CE2 3.46Å; I213-F242 HydrophobicContact CG2-CZ 3.7Å; I213-L324 HydrophobicContact CD1-CD2 4.31Å; I213-V328 HydrophobicContact CG1-CG2 4.02Å; I213-V328 HydrophobicContact CG2-CG2 4.3Å
214A92.5Very high89.5Confident0 Ų029.6 Ų29.60%017%0.167CC..Hα-helixtrans-64.9-32.9178.100000113.1P212 L216 F217 K218 L228 F242 L246 C249P212-A214 VanDerWaalsContact C-N 3.26Å; P212-A214 PolarHBondContact O-N 3.12Å; A214-L216 VanDerWaalsContact C-N 3.33Å; A214-F217 PolarHBondContact O-N 3.17Å; A214-K218 PolarHBondContact O-N 3.16Å; A214-L228 HydrophobicContact CB-CD1 4.37Å; A214-F242 HydrophobicContact CB-CE1 4.43Å; A214-F242 HydrophobicContact CB-CZ 4.2Å; A214-L246 HydrophobicContact CB-CD2 4.09Å; A214-C249 WeakPolarHBondContact CB-SG 3.37Å
215I92.6Very high89.6Confident0 Ų031.6 Ų31.60%018%0.179CC..Hα-helixtrans-67.2-38.6173.7-60.2173.1000110.2P212 I213 K218 A219 Y252 I254 A260 W263 L264P212-I215 HydrophobicContact CB-CD1 3.87Å; P212-I215 HydrophobicContact CB-CG1 4.12Å; P212-I215 HydrophobicContact CG-CD1 3.65Å; P212-I215 HydrophobicContact CG-CG1 4.43Å; P212-I215 PolarHBondContact O-N 2.89Å; P212-I215 VanDerWaalsContact O-N 3.14Å; I213-I215 VanDerWaalsContact C-N 3.33Å; I213-I215 PolarHBondContact O-N 3.22Å; I215-K218 PolarHBondContact O-N 3.06Å; I215-A219 PolarHBondContact O-N 3.41Å; I215-Y252 HydrophobicContact CD1-CD2 3.97Å; I215-Y252 HydrophobicContact CD1-CE2 4.49Å; I215-I254 HydrophobicContact CB-CD1 4.49Å; I215-I254 HydrophobicContact CD1-CD1 3.43Å; I215-I254 VanDerWaalsContact CD1-CD1 3.43Å; I215-I254 HydrophobicContact CG1-CD1 3.67Å; I215-I254 HydrophobicContact CG2-CD1 4.02Å; I215-A260 HydrophobicContact CG2-CB 4.04Å; I215-W263 HydrophobicContact CD1-CD2 4.03Å; I215-W263 HydrophobicContact CD1-CE3 4.02Å; I215-W263 HydrophobicContact CD1-CH2 4.16Å; I215-W263 HydrophobicContact CD1-CZ2 4.13Å; I215-W263 HydrophobicContact CD1-CZ3 4.1Å; I215-W263 HydrophobicContact CG2-CD2 4.48Å; I215-W263 HydrophobicContact CG2-CE3 4.01Å; I215-L264 HydrophobicContact CG2-CG 4.44Å
216L91.6Very high89.9Confident0 Ų032.6 Ų32.60%018%0.18CC..Hα-helixtrans-63.1-42.2178.2-170.567.2000111.8L202 P212 I213 A214 A219 M220 L264 L302 I306 L324L202-L216 HydrophobicContact CD2-CD2 3.88Å; P212-L216 PolarHBondContact O-N 2.98Å; I213-L216 HydrophobicContact CD1-CD2 3.98Å; I213-L216 VanDerWaalsContact O-CB 3.31Å; I213-L216 WeakPolarHBondContact O-CB 3.3Å; I213-L216 PolarHBondContact O-N 3.31Å; I213-L216 VanDerWaalsContact O-N 3.13Å; A214-L216 VanDerWaalsContact C-N 3.33Å; L216-A219 PolarHBondContact O-N 3.12Å; L216-M220 HydrophobicContact CD1-CE 4.49Å; L216-M220 HydrophobicContact CD2-CE 4.41Å; L216-M220 HydrophobicContact CG-CE 4.16Å; L216-M220 WeakPolarHBondContact O-CG 3.35Å; L216-M220 PolarHBondContact O-N 3.46Å; L216-L264 HydrophobicContact CD1-CD1 4.34Å; L216-L302 HydrophobicContact CD1-CD1 4.48Å; L216-L302 HydrophobicContact CD1-CD2 3.59Å; L216-I306 HydrophobicContact CD1-CD1 4.11Å; L216-L324 HydrophobicContact CD2-CD1 3.81Å
217F92.4Very high90.2Very high0 Ų035.8 Ų35.80%019%0.192CC..Hα-helixtrans-61.6-43.6174.3-80.1-72.3000112.4I213 A214 A219 M220 I222 L228 A321 L324I213-F217 HydrophobicContact CG1-CD2 4.18Å; I213-F217 HydrophobicContact CG1-CE2 3.78Å; I213-F217 WeakPolarHBondContact O-CD2 3.27Å; I213-F217 PolarHBondContact O-N 3.46Å; I213-F217 VanDerWaalsContact O-N 3.13Å; A214-F217 PolarHBondContact O-N 3.17Å; F217-A219 VanDerWaalsContact C-N 3.31Å; F217-A219 PolarHBondContact O-N 2.79Å; F217-M220 CarbonylContact O-C 3.57Å; F217-M220 WeakPolarHBondContact O-CA 3.42Å; F217-M220 WeakPolarHBondContact O-CB 3.1Å; F217-M220 PolarHBondContact O-N 3.1Å; F217-I222 HydrophobicContact CD1-CD1 4.09Å; F217-I222 PolarHBondContact O-N 2.99Å; F217-I222 VanDerWaalsContact O-N 3.12Å; F217-L228 HydrophobicContact CB-CD1 3.52Å; F217-L228 HydrophobicContact CB-CG 4.01Å; F217-L228 HydrophobicContact CD2-CD1 4.04Å; F217-L228 HydrophobicContact CD2-CD2 4.22Å; F217-L228 HydrophobicContact CD2-CG 4.04Å; F217-L228 HydrophobicContact CG-CD1 3.95Å; F217-L228 HydrophobicContact CG-CG 3.96Å; F217-A321 HydrophobicContact CD1-CB 4.01Å; F217-A321 HydrophobicContact CE1-CB 3.83Å; F217-A321 VanDerWaalsContact CE1-O 3.24Å; F217-A321 WeakPolarHBondContact CE1-O 3.43Å; F217-L324 HydrophobicContact CE1-CB 4.3Å; F217-L324 HydrophobicContact CZ-CB 3.86Å
218K91.8Very high90.3Very high8 Ų835.5 Ų35.54%0.03519%0.191CC..Hα-helixtrans-62.4-37.3175.4-69-174.6-173.8-71.30112.2A214 I215 M220 N221 I222 T223 D225 I254 A260A214-K218 PolarHBondContact O-N 3.16Å; I215-K218 PolarHBondContact O-N 3.06Å; K218-M220 VanDerWaalsContact C-N 3.28Å; K218-M220 PolarHBondContact O-N 3.24Å; K218-N221 PolarHBondContact O-N 2.79Å; K218-N221 VanDerWaalsContact O-N 3.15Å; K218-I222 WeakPolarHBondContact CA-O 3.3Å; K218-T223 PolarHBondContact NZ-O 3.42Å; K218-D225 IonicContact NZ-OD1 2.69Å; K218-D225 PolarHBondContact NZ-OD1 2.95Å; K218-I254 HydrophobicContact CD-CG2 4.18Å; K218-A260 HydrophobicContact CB-CB 3.89Å
219A90.2Very high90.5Very high0 Ų032.2 Ų32.20%017%0.174CC..Hα-helixtrans-69.1-23.4173.700000113.8I215 L216 F217 N221 A260 L264 L302I215-A219 PolarHBondContact O-N 3.41Å; L216-A219 PolarHBondContact O-N 3.12Å; F217-A219 VanDerWaalsContact C-N 3.31Å; F217-A219 PolarHBondContact O-N 2.79Å; A219-N221 PolarHBondContact O-N 3.27Å; A219-A260 HydrophobicContact CB-CB 3.95Å; A219-L264 HydrophobicContact CB-CD1 3.46Å; A219-L264 VanDerWaalsContact CB-CD1 3.46Å; A219-L302 HydrophobicContact CB-CD1 4.35Å
220M88.3Confident90.4Very high6 Ų633.3 Ų33.33%0.0317%0.174CC..THydrogen-bonded Turntrans-81.610.5171.5-71.6-175.8179.600113.3L216 F217 K218 L302 F317 A321 L324L216-M220 HydrophobicContact CD1-CE 4.49Å; L216-M220 HydrophobicContact CD2-CE 4.41Å; L216-M220 HydrophobicContact CG-CE 4.16Å; L216-M220 WeakPolarHBondContact O-CG 3.35Å; L216-M220 PolarHBondContact O-N 3.46Å; F217-M220 CarbonylContact O-C 3.57Å; F217-M220 WeakPolarHBondContact O-CA 3.42Å; F217-M220 WeakPolarHBondContact O-CB 3.1Å; F217-M220 PolarHBondContact O-N 3.1Å; K218-M220 VanDerWaalsContact C-N 3.28Å; K218-M220 PolarHBondContact O-N 3.24Å; M220-L302 HydrophobicContact CG-CD1 4.22Å; M220-F317 HydrophobicContact CB-CB 3.76Å; M220-F317 HydrophobicContact CB-CD1 4.44Å; M220-F317 HydrophobicContact CB-CG 4.02Å; M220-F317 HydrophobicContact CE-CD1 4.49Å; M220-F317 HydrophobicContact CG-CB 4.04Å; M220-F317 HydrophobicContact CG-CD1 3.9Å; M220-F317 HydrophobicContact CG-CG 4Å; M220-F317 HydrophobicContact SD-CB 4.33Å; M220-F317 HydrophobicContact SD-CD1 4.33Å; M220-A321 HydrophobicContact SD-CB 4.34Å; M220-L324 HydrophobicContact CE-CD1 3.49Å; M220-L324 VanDerWaalsContact CE-CD1 3.49Å; M220-L324 HydrophobicContact SD-CD1 3.91Å
221N87.3Confident90.3Very high108 Ų10833.2 Ų33.258%0.57817%0.173SC*.THydrogen-bonded Turntrans73.317.9-178.7-154.141000115.4K218 A219K218-N221 PolarHBondContact O-N 2.79Å; K218-N221 VanDerWaalsContact O-N 3.15Å; A219-N221 PolarHBondContact O-N 3.27Å
222I88.2Confident90.2Very high11 Ų1133.2 Ų33.26%0.05617%0.173CC..  trans-9987.4170.8-61.8157.1000107.7F217 K218 E227 L228 L231 A321F217-I222 HydrophobicContact CD1-CD1 4.09Å; F217-I222 PolarHBondContact O-N 2.99Å; F217-I222 VanDerWaalsContact O-N 3.12Å; K218-I222 WeakPolarHBondContact CA-O 3.3Å; I222-E227 HydrophobicContact CG2-CB 4.22Å; I222-E227 HydrophobicContact CG2-CG 4.09Å; I222-L228 HydrophobicContact CG2-CB 4.23Å; I222-L231 HydrophobicContact CD1-CD1 3.61Å; I222-L231 HydrophobicContact CG1-CD1 4.41Å; I222-L231 HydrophobicContact CG2-CD1 4.18Å; I222-A321 HydrophobicContact CD1-CB 3.17Å
223T87.5Confident89.9Confident64 Ų6433 Ų3339%0.39317%0.172SC..  trans-87.4-29.7-174.7520000112.7K218 D225 C257K218-T223 PolarHBondContact NZ-O 3.42Å; T223-D225 PolarHBondContact O-N 3.07Å; T223-C257 HydrophobicContact CG2-CB 4.5Å
224S90.8Very high89.7Confident54 Ų5436 Ų3638%0.37819%0.191SC..  trans-70.7117.7178.1-179.60000111Q226 E227 L228S224-Q226 PolarHBondContact O-N 3.11Å; S224-E227 PolarHBondContact O-N 3.23Å; S224-L228 PolarHBondContact O-N 2.67Å
225D90.6Very high89.4Confident60 Ų6038.3 Ų38.332%0.32120%0.201SC..Hα-helixtrans-64.6-29.4178.3-64.5-22.8000111.6K218 T223 L228 L229 L246K218-D225 IonicContact NZ-OD1 2.69Å; K218-D225 PolarHBondContact NZ-OD1 2.95Å; T223-D225 PolarHBondContact O-N 3.07Å; D225-L228 PolarHBondContact O-N 2.95Å; D225-L229 WeakPolarHBondContact O-CG 3.4Å; D225-L229 PolarHBondContact O-N 2.76Å; D225-L246 HydrophobicContact CB-CD1 4.35Å; D225-L246 HydrophobicContact CB-CD2 4.36Å
226Q89.9Confident89.2Confident130 Ų13046.2 Ų46.261%0.60724%0.238SC*.Hα-helixtrans-65.8-44.9174.5-178.6-179.7-2.800111.5S224 L228 L229 Q230S224-Q226 PolarHBondContact O-N 3.11Å; Q226-L228 VanDerWaalsContact C-N 3.31Å; Q226-L229 PolarHBondContact O-N 3.06Å; Q226-Q230 WeakPolarHBondContact O-CB 3.3Å; Q226-Q230 VanDerWaalsContact O-CG 3.29Å; Q226-Q230 WeakPolarHBondContact O-CG 3.27Å; Q226-Q230 PolarHBondContact O-N 3.03Å
227E89.1Confident88.9Confident93 Ų9348.1 Ų48.144%0.43525%0.251SS..Hα-helixtrans-63.5-41.7176.9-174-179.7-176.800110.4I222 S224 Q230 L231I222-E227 HydrophobicContact CG2-CB 4.22Å; I222-E227 HydrophobicContact CG2-CG 4.09Å; S224-E227 PolarHBondContact O-N 3.23Å; E227-Q230 PolarHBondContact O-N 3.31Å; E227-L231 HydrophobicContact CG-CD1 4.35Å; E227-L231 WeakPolarHBondContact O-CB 3.28Å; E227-L231 VanDerWaalsContact O-CG 3.28Å; E227-L231 WeakPolarHBondContact O-CG 3.22Å; E227-L231 PolarHBondContact O-N 3.28Å
228L89.4Confident88.7Confident0 Ų048.1 Ų48.10%025%0.252CS..Hα-helixtrans-59.3-49.2175.7-165.6168.1000111.4A214 F217 I222 S224 D225 Q226 Q230 L231 I232 F242 L246A214-L228 HydrophobicContact CB-CD1 4.37Å; F217-L228 HydrophobicContact CB-CD1 3.52Å; F217-L228 HydrophobicContact CB-CG 4.01Å; F217-L228 HydrophobicContact CD2-CD1 4.04Å; F217-L228 HydrophobicContact CD2-CD2 4.22Å; F217-L228 HydrophobicContact CD2-CG 4.04Å; F217-L228 HydrophobicContact CG-CD1 3.95Å; F217-L228 HydrophobicContact CG-CG 3.96Å; I222-L228 HydrophobicContact CG2-CB 4.23Å; S224-L228 PolarHBondContact O-N 2.67Å; D225-L228 PolarHBondContact O-N 2.95Å; Q226-L228 VanDerWaalsContact C-N 3.31Å; L228-Q230 PolarHBondContact O-N 2.82Å; L228-L231 WeakPolarHBondContact O-CB 3.5Å; L228-L231 PolarHBondContact O-N 3.45Å; L228-I232 HydrophobicContact CD2-CD1 3.63Å; L228-I232 HydrophobicContact CD2-CG1 4.36Å; L228-I232 WeakPolarHBondContact O-CG1 3.44Å; L228-I232 PolarHBondContact O-N 3.38Å; L228-F242 HydrophobicContact CD2-CD1 3.98Å; L228-F242 HydrophobicContact CD2-CE1 3.14Å; L228-F242 HydrophobicContact CD2-CZ 3.51Å; L228-F242 HydrophobicContact CG-CE1 4.45Å; L228-L246 HydrophobicContact CD1-CD2 4.12Å
229L90.4Very high88.7Confident29 Ų2952.5 Ų52.515%0.15227%0.268CS..Hα-helixtrans-59.9-45.7176.8-75170.9000111.6D225 Q226 L231 I232 G233 W239 F242 L246D225-L229 WeakPolarHBondContact O-CG 3.4Å; D225-L229 PolarHBondContact O-N 2.76Å; Q226-L229 PolarHBondContact O-N 3.06Å; L229-L231 VanDerWaalsContact C-N 3.29Å; L229-L231 PolarHBondContact O-N 2.85Å; L229-I232 PolarHBondContact O-N 2.83Å; L229-I232 VanDerWaalsContact O-N 3.11Å; L229-G233 PolarHBondContact O-N 2.85Å; L229-W239 HydrophobicContact CD2-CB 4.44Å; L229-W239 HydrophobicContact CD2-CG 4.26Å; L229-F242 HydrophobicContact CD2-CB 4.24Å; L229-F242 HydrophobicContact CD2-CD1 3.82Å; L229-F242 HydrophobicContact CD2-CG 4.43Å; L229-L246 HydrophobicContact CD1-CD1 4.1Å; L229-L246 HydrophobicContact CD2-CD1 4.01Å; L229-L246 HydrophobicContact CG-CD1 4Å
230Q88.6Confident88.7Confident95 Ų9555.7 Ų55.744%0.44429%0.294SS..Hα-helixtrans-61.7-35.5177.8-74.3176.6-10.200112.7Q226 E227 L228 I232 G233 Y518Q226-Q230 WeakPolarHBondContact O-CB 3.3Å; Q226-Q230 VanDerWaalsContact O-CG 3.29Å; Q226-Q230 WeakPolarHBondContact O-CG 3.27Å; Q226-Q230 PolarHBondContact O-N 3.03Å; E227-Q230 PolarHBondContact O-N 3.31Å; L228-Q230 PolarHBondContact O-N 2.82Å; Q230-I232 VanDerWaalsContact C-N 3.3Å; Q230-I232 PolarHBondContact O-N 3.49Å; Q230-G233 PolarHBondContact O-N 3.44Å; Q230-Y518 WeakPolarHBondContact O-CE2 3.36Å
231L87.8Confident88.8Confident35 Ų3557.8 Ų57.818%0.18331%0.305CS..Hα-helixtrans-65.8-30.6175.5-76.1169.1000112.9I222 E227 L228 L229 F322 Y518I222-L231 HydrophobicContact CD1-CD1 3.61Å; I222-L231 HydrophobicContact CG1-CD1 4.41Å; I222-L231 HydrophobicContact CG2-CD1 4.18Å; E227-L231 HydrophobicContact CG-CD1 4.35Å; E227-L231 WeakPolarHBondContact O-CB 3.28Å; E227-L231 VanDerWaalsContact O-CG 3.28Å; E227-L231 WeakPolarHBondContact O-CG 3.22Å; E227-L231 PolarHBondContact O-N 3.28Å; L228-L231 WeakPolarHBondContact O-CB 3.5Å; L228-L231 PolarHBondContact O-N 3.45Å; L229-L231 VanDerWaalsContact C-N 3.29Å; L229-L231 PolarHBondContact O-N 2.85Å; L231-F322 HydrophobicContact CD2-CD2 4.47Å; L231-Y518 PolarHBondContact O-OH 3.47Å
232I90Very high89Confident1 Ų152.7 Ų52.71%0.00528%0.278CS..Hα-helixtrans-83.2-38.9177.3-57.9173.5000110.7L228 L229 Q230 V238 F242 V328 R329 I332L228-I232 HydrophobicContact CD2-CD1 3.63Å; L228-I232 HydrophobicContact CD2-CG1 4.36Å; L228-I232 WeakPolarHBondContact O-CG1 3.44Å; L228-I232 PolarHBondContact O-N 3.38Å; L229-I232 PolarHBondContact O-N 2.83Å; L229-I232 VanDerWaalsContact O-N 3.11Å; Q230-I232 VanDerWaalsContact C-N 3.3Å; Q230-I232 PolarHBondContact O-N 3.49Å; I232-V238 HydrophobicContact CB-CG1 4.29Å; I232-V238 HydrophobicContact CG2-CG1 3.49Å; I232-V238 VanDerWaalsContact CG2-CG1 3.49Å; I232-F242 HydrophobicContact CD1-CD1 3.77Å; I232-F242 HydrophobicContact CD1-CD2 3.41Å; I232-F242 VanDerWaalsContact CD1-CD2 3.41Å; I232-F242 HydrophobicContact CD1-CE1 3.75Å; I232-F242 HydrophobicContact CD1-CE2 3.35Å; I232-F242 HydrophobicContact CD1-CG 3.61Å; I232-F242 HydrophobicContact CD1-CZ 3.53Å; I232-V328 HydrophobicContact CD1-CG1 4.27Å; I232-V328 HydrophobicContact CG2-CB 4.36Å; I232-V328 HydrophobicContact CG2-CG1 4.17Å; I232-R329 HydrophobicContact CG2-CB 4.09Å; I232-R329 WeakPolarHBondContact O-CB 3.42Å; I232-R329 WeakPolarHBondContact O-CD 3.39Å; I232-R329 WeakPolarHBondContact O-CG 3.25Å; I232-I332 HydrophobicContact CG2-CD1 4.45Å
233G87.7Confident89.1Confident0 Ų054.8 Ų54.80%029%0.292CS..  trans167168177.600000112.8L229 Q230 W239L229-G233 PolarHBondContact O-N 2.85Å; Q230-G233 PolarHBondContact O-N 3.44Å; G233-W239 PolarHBondContact O-NE1 3.21Å
234T87.5Confident89.3Confident63 Ų6353.7 Ų53.739%0.38729%0.285SS..SBendtrans-104.7-0.3178.250.60000113.2R517 Y518T234-R517 PolarHBondContact OG1-O 3.09Å; T234-Y518 HydrophobicContact CG2-CD2 4.44Å
235E86.4Confident89.3Confident47 Ų4751.2 Ų51.222%0.2227%0.268CS..  trans-79.3137-179.3-67.3170.9-120.500111.3S237 V238 W239 R329 R338E235-S237 PolarHBondContact O-N 3.03Å; E235-V238 HydrophobicContact CB-CB 4.36Å; E235-V238 HydrophobicContact CB-CG2 4.02Å; E235-V238 WeakPolarHBondContact O-CB 3.43Å; E235-V238 PolarHBondContact O-N 3.14Å; E235-V238 VanDerWaalsContact O-N 3.11Å; E235-W239 PolarHBondContact O-N 2.88Å; E235-W239 VanDerWaalsContact O-N 3.14Å; E235-R329 IonicContact OE1-CZ 3.31Å; E235-R329 VanDerWaalsContact OE1-CZ 3.31Å; E235-R329 IonicContact OE1-NH1 3.04Å; E235-R329 PolarHBondContact OE1-NH1 2.87Å; E235-R329 IonicContact OE1-NH2 2.68Å; E235-R329 PolarHBondContact OE1-NH2 3.33Å; E235-R338 IonicContact OE2-CZ 3.15Å; E235-R338 IonicContact OE2-NH1 2.71Å; E235-R338 PolarHBondContact OE2-NH1 3.28Å
236E86.8Confident89.4Confident166 Ų16649.1 Ų49.178%0.77626%0.257SS*.Hα-helixtrans-58.7-36.4179.6-172.6177.3-17700112.4V238 W239 A240E236-V238 VanDerWaalsContact C-N 3.34Å; E236-V238 PolarHBondContact O-N 3.29Å; E236-W239 PolarHBondContact O-N 3.1Å; E236-A240 WeakPolarHBondContact O-CB 3.22Å; E236-A240 PolarHBondContact O-N 3.33Å
237S86.6Confident89.4Confident40 Ų4049 Ų4928%0.2825%0.254SS..Hα-helixtrans-66.6-35.8178.777.10000112.6E235 N241 E336E235-S237 PolarHBondContact O-N 3.03Å; S237-N241 PolarHBondContact O-N 2.96Å; S237-N241 VanDerWaalsContact O-N 3.15Å; S237-N241 PolarHBondContact O-ND2 2.96Å; S237-E336 WeakPolarHBondContact CB-OE1 3.48Å; S237-E336 PolarHBondContact OG-OE1 2.64Å; S237-E336 PolarHBondContact OG-OE2 2.83Å
238V88.3Confident89.5Confident1 Ų144.7 Ų44.71%0.00623%0.234CC..Hα-helixtrans-67.5-42175.3174.70000110.3I232 E235 E236 F242 I332I232-V238 HydrophobicContact CB-CG1 4.29Å; I232-V238 HydrophobicContact CG2-CG1 3.49Å; I232-V238 VanDerWaalsContact CG2-CG1 3.49Å; E235-V238 HydrophobicContact CB-CB 4.36Å; E235-V238 HydrophobicContact CB-CG2 4.02Å; E235-V238 WeakPolarHBondContact O-CB 3.43Å; E235-V238 PolarHBondContact O-N 3.14Å; E235-V238 VanDerWaalsContact O-N 3.11Å; E236-V238 VanDerWaalsContact C-N 3.34Å; E236-V238 PolarHBondContact O-N 3.29Å; V238-F242 WeakPolarHBondContact O-CB 3.35Å; V238-F242 PolarHBondContact O-N 3Å; V238-F242 VanDerWaalsContact O-N 3.11Å; V238-I332 HydrophobicContact CG1-CD1 3.97Å; V238-I332 HydrophobicContact CG2-CG2 4.29Å
239W90.4Very high89.5Confident99 Ų9944.8 Ų44.838%0.37524%0.235SC..Hα-helixtrans-63.6-48.2175.5-66.2-2.5000111.5L229 G233 E235 E236 N241 F242 V243L229-W239 HydrophobicContact CD2-CB 4.44Å; L229-W239 HydrophobicContact CD2-CG 4.26Å; G233-W239 PolarHBondContact O-NE1 3.21Å; E235-W239 PolarHBondContact O-N 2.88Å; E235-W239 VanDerWaalsContact O-N 3.14Å; E236-W239 PolarHBondContact O-N 3.1Å; W239-N241 VanDerWaalsContact C-N 3.3Å; W239-N241 PolarHBondContact O-N 2.99Å; W239-F242 PolarHBondContact O-N 3.47Å; W239-V243 WeakPolarHBondContact O-CG2 3.1Å; W239-V243 PolarHBondContact O-N 3.09Å
240A90.8Very high89.4Confident67 Ų6747.9 Ų47.955%0.55425%0.251SS*.Hα-helixtrans-56-43.7-179.700000112.4E236 P244E236-A240 WeakPolarHBondContact O-CB 3.22Å; E236-A240 PolarHBondContact O-N 3.33Å; A240-P244 WeakPolarHBondContact O-CD 3.34Å
241N89.9Confident89.5Confident50 Ų5049.4 Ų49.427%0.26726%0.258SS..Hα-helixtrans-72.1-28.1178.1-73.6-52.2000113.3F200 S237 W239 P244 I332 E336F200-N241 WeakPolarHBondContact CE2-O 3.42Å; S237-N241 PolarHBondContact O-N 2.96Å; S237-N241 VanDerWaalsContact O-N 3.15Å; S237-N241 PolarHBondContact O-ND2 2.96Å; W239-N241 VanDerWaalsContact C-N 3.3Å; W239-N241 PolarHBondContact O-N 2.99Å; N241-P244 WeakPolarHBondContact O-CD 3.42Å; N241-I332 HydrophobicContact CB-CD1 4.19Å; N241-I332 HydrophobicContact CB-CG1 4.12Å; N241-I332 HydrophobicContact CB-CG2 4.04Å; N241-I332 WeakPolarHBondContact ND2-CG2 3.29Å; N241-E336 PolarHBondContact ND2-OE1 3.45Å
242F91.8Very high89.6Confident1 Ų153.1 Ų53.10%0.00427%0.271CS..Hα-helixtrans-88.8-28.2-177.3-165.2-97.3000114.2F200 I213 A214 L228 L229 I232 V238 W239 P244 S245 L246 V328F200-F242 AromaticContact CD2-CD2 3.67Å; F200-F242 HydrophobicContact CD2-CD2 3.67Å; F200-F242 HydrophobicContact CD2-CE2 4.05Å; F200-F242 HydrophobicContact CE2-CD2 4.05Å; I213-F242 HydrophobicContact CG2-CE2 3.46Å; I213-F242 VanDerWaalsContact CG2-CE2 3.46Å; I213-F242 HydrophobicContact CG2-CZ 3.7Å; A214-F242 HydrophobicContact CB-CE1 4.43Å; A214-F242 HydrophobicContact CB-CZ 4.2Å; L228-F242 HydrophobicContact CD2-CD1 3.98Å; L228-F242 HydrophobicContact CD2-CE1 3.14Å; L228-F242 HydrophobicContact CD2-CZ 3.51Å; L228-F242 HydrophobicContact CG-CE1 4.45Å; L229-F242 HydrophobicContact CD2-CB 4.24Å; L229-F242 HydrophobicContact CD2-CD1 3.82Å; L229-F242 HydrophobicContact CD2-CG 4.43Å; I232-F242 HydrophobicContact CD1-CD1 3.77Å; I232-F242 HydrophobicContact CD1-CD2 3.41Å; I232-F242 VanDerWaalsContact CD1-CD2 3.41Å; I232-F242 HydrophobicContact CD1-CE1 3.75Å; I232-F242 HydrophobicContact CD1-CE2 3.35Å; I232-F242 HydrophobicContact CD1-CG 3.61Å; I232-F242 HydrophobicContact CD1-CZ 3.53Å; V238-F242 WeakPolarHBondContact O-CB 3.35Å; V238-F242 PolarHBondContact O-N 3Å; V238-F242 VanDerWaalsContact O-N 3.11Å; W239-F242 PolarHBondContact O-N 3.47Å; F242-P244 VanDerWaalsContact C-CD 3.41Å; F242-P244 VanDerWaalsContact C-N 3.33Å; F242-S245 WeakPolarHBondContact O-CA 3.27Å; F242-S245 VanDerWaalsContact O-CB 3.32Å; F242-S245 WeakPolarHBondContact O-CB 3.46Å; F242-S245 PolarHBondContact O-N 2.82Å; F242-L246 HydrophobicContact CD1-CD1 4.14Å; F242-L246 HydrophobicContact CD1-CD2 4.41Å; F242-L246 HydrophobicContact CD1-CG 3.9Å; F242-L246 HydrophobicContact CE1-CD1 4.36Å; F242-L246 HydrophobicContact CE1-CD2 3.81Å; F242-L246 HydrophobicContact CE1-CG 3.76Å; F242-L246 PolarHBondContact O-N 3.14Å; F242-V328 HydrophobicContact CD2-CG1 3.76Å; F242-V328 HydrophobicContact CE2-CG1 3.94Å
243V91.2Very high89.5Confident56 Ų5658.7 Ų58.734%0.33930%0.301SS..Hα-helixtrans-50.7-40.3179.7164.50000113.9W239 S245 L246 K247W239-V243 WeakPolarHBondContact O-CG2 3.1Å; W239-V243 PolarHBondContact O-N 3.09Å; V243-S245 PolarHBondContact O-N 2.72Å; V243-L246 WeakPolarHBondContact O-CB 3.4Å; V243-L246 PolarHBondContact O-N 3.17Å; V243-K247 HydrophobicContact CG1-CG 4.45Å; V243-K247 PolarHBondContact O-N 2.82Å
244P91.5Very high89.6Confident40 Ų4059 Ų5926%0.2630%0.302SS..Hα-helixtrans-55.4-33.5173.3-27.535.4000114.2K199 A240 N241 F242 L248K199-P244 HydrophobicContact CG-CB 4.18Å; A240-P244 WeakPolarHBondContact O-CD 3.34Å; N241-P244 WeakPolarHBondContact O-CD 3.42Å; F242-P244 VanDerWaalsContact C-CD 3.41Å; F242-P244 VanDerWaalsContact C-N 3.33Å; P244-L248 PolarHBondContact O-N 3.01Å
245S91.3Very high89.5Confident2 Ų260.8 Ų60.81%0.01431%0.306CS..Hα-helixtrans-73.8-30.8177-600000112.4F200 F242 V243F200-S245 PolarHBondContact N-OG 2.69Å; F242-S245 WeakPolarHBondContact O-CA 3.27Å; F242-S245 VanDerWaalsContact O-CB 3.32Å; F242-S245 WeakPolarHBondContact O-CB 3.46Å; F242-S245 PolarHBondContact O-N 2.82Å; V243-S245 PolarHBondContact O-N 2.72Å
246L91.1Very high89.6Confident17 Ų1761.6 Ų61.69%0.08931%0.314CS..Hα-helixtrans-71.8-40.9172.6-67.8174.4000111.8A214 D225 L228 L229 F242 V243 L248 C249 L250A214-L246 HydrophobicContact CB-CD2 4.09Å; D225-L246 HydrophobicContact CB-CD1 4.35Å; D225-L246 HydrophobicContact CB-CD2 4.36Å; L228-L246 HydrophobicContact CD1-CD2 4.12Å; L229-L246 HydrophobicContact CD1-CD1 4.1Å; L229-L246 HydrophobicContact CD2-CD1 4.01Å; L229-L246 HydrophobicContact CG-CD1 4Å; F242-L246 HydrophobicContact CD1-CD1 4.14Å; F242-L246 HydrophobicContact CD1-CD2 4.41Å; F242-L246 HydrophobicContact CD1-CG 3.9Å; F242-L246 HydrophobicContact CE1-CD1 4.36Å; F242-L246 HydrophobicContact CE1-CD2 3.81Å; F242-L246 HydrophobicContact CE1-CG 3.76Å; F242-L246 PolarHBondContact O-N 3.14Å; V243-L246 WeakPolarHBondContact O-CB 3.4Å; V243-L246 PolarHBondContact O-N 3.17Å; L246-L248 PolarHBondContact O-N 3.42Å; L246-C249 WeakPolarHBondContact O-CB 3.29Å; L246-C249 PolarHBondContact O-N 3Å; L246-L250 PolarHBondContact O-N 3.24Å
247K91Very high89.7Confident126 Ų12654.4 Ų54.455%0.54828%0.282SS..Hα-helixtrans-55.5-38.2174.8-73.8-177.3177.8-179.90111.8V243 C249 L250 E251V243-K247 HydrophobicContact CG1-CG 4.45Å; V243-K247 PolarHBondContact O-N 2.82Å; K247-C249 VanDerWaalsContact C-N 3.33Å; K247-C249 PolarHBondContact O-N 3.11Å; K247-L250 WeakPolarHBondContact O-CB 3.19Å; K247-L250 PolarHBondContact O-N 3.26Å; K247-L250 VanDerWaalsContact O-N 3.1Å; K247-E251 WeakPolarHBondContact O-CG 3.35Å; K247-E251 PolarHBondContact O-N 3.31Å
248L90.1Very high89.8Confident4 Ų454.1 Ų54.12%0.02128%0.277CS..Hα-helixtrans-66.9-30177.3177.8152.6000113.3K199 Y201 P212 P244 L246 L250 E251 Y252K199-L248 HydrophobicContact CD-CD1 3.77Å; Y201-L248 HydrophobicContact CE1-CD1 4.49Å; Y201-L248 WeakPolarHBondContact OH-CD1 3.41Å; P212-L248 HydrophobicContact CB-CD2 3.47Å; P212-L248 VanDerWaalsContact CB-CD2 3.47Å; P212-L248 HydrophobicContact CG-CD2 3.39Å; P244-L248 PolarHBondContact O-N 3.01Å; L246-L248 PolarHBondContact O-N 3.42Å; L248-L250 VanDerWaalsContact C-N 3.32Å; L248-E251 PolarHBondContact O-N 3.43Å; L248-Y252 HydrophobicContact CD1-CE2 4.26Å; L248-Y252 HydrophobicContact CD2-CD2 3.56Å; L248-Y252 HydrophobicContact CD2-CE2 3.34Å; L248-Y252 HydrophobicContact CG-CD2 4.1Å; L248-Y252 HydrophobicContact CG-CE2 3.73Å; L248-Y252 WeakPolarHBondContact O-CD2 3.43Å; L248-Y252 PolarHBondContact O-N 3.39Å; L248-Y252 VanDerWaalsContact O-N 3.14Å
249C89.4Confident89.9Confident2 Ų256.9 Ų56.91%0.01429%0.292CS..Hα-helixtrans-65.8-36.4170.3-72.20000112.1A214 L246 K247 Y252 N253 I254A214-C249 WeakPolarHBondContact CB-SG 3.37Å; L246-C249 WeakPolarHBondContact O-CB 3.29Å; L246-C249 PolarHBondContact O-N 3Å; K247-C249 VanDerWaalsContact C-N 3.33Å; K247-C249 PolarHBondContact O-N 3.11Å; C249-Y252 PolarHBondContact O-N 3.3Å; C249-N253 PolarHBondContact O-N 3.3Å; C249-I254 PolarHBondContact O-N 3.45Å
250L89Confident89.9Confident94 Ų9452.1 Ų52.149%0.49227%0.274SS..Hα-helixtrans-67.4-42.1174.3-61.1172000111L246 K247 L248 Y252 N253L246-L250 PolarHBondContact O-N 3.24Å; K247-L250 WeakPolarHBondContact O-CB 3.19Å; K247-L250 PolarHBondContact O-N 3.26Å; K247-L250 VanDerWaalsContact O-N 3.1Å; L248-L250 VanDerWaalsContact C-N 3.32Å; L250-Y252 PolarHBondContact O-N 3.07Å; L250-N253 PolarHBondContact O-N 3.33Å
251E90.4Very high89.8Confident127 Ų12749 Ų4959%0.59325%0.248SC*.Hα-helixtrans-59-34.1175.4-70.7171.1-175.300112.6K247 L248K247-E251 WeakPolarHBondContact O-CG 3.35Å; K247-E251 PolarHBondContact O-N 3.31Å; L248-E251 PolarHBondContact O-N 3.43Å
252Y89.6Confident89.8Confident112 Ų11249.4 Ų49.444%0.43925%0.25SS..THydrogen-bonded Turntrans-88.43.7175.7-66.5-41.7000114.7P212 I215 L248 C249 L250 I254 W263P212-Y252 HydrophobicContact CG-CE2 4.26Å; I215-Y252 HydrophobicContact CD1-CD2 3.97Å; I215-Y252 HydrophobicContact CD1-CE2 4.49Å; L248-Y252 HydrophobicContact CD1-CE2 4.26Å; L248-Y252 HydrophobicContact CD2-CD2 3.56Å; L248-Y252 HydrophobicContact CD2-CE2 3.34Å; L248-Y252 HydrophobicContact CG-CD2 4.1Å; L248-Y252 HydrophobicContact CG-CE2 3.73Å; L248-Y252 WeakPolarHBondContact O-CD2 3.43Å; L248-Y252 PolarHBondContact O-N 3.39Å; L248-Y252 VanDerWaalsContact O-N 3.14Å; C249-Y252 PolarHBondContact O-N 3.3Å; L250-Y252 PolarHBondContact O-N 3.07Å; Y252-I254 VanDerWaalsContact C-N 3.29Å; Y252-I254 PolarHBondContact O-N 3.48Å; Y252-W263 HydrophobicContact CE2-CZ2 4.28Å
253N89.3Confident89.7Confident119 Ų11951.6 Ų51.664%0.63626%0.258SS*.THydrogen-bonded Turntrans5538.5-176.2-60.1-47.8000113.8C249 L250C249-N253 PolarHBondContact O-N 3.3Å; L250-N253 PolarHBondContact O-N 3.33Å
254I88.9Confident89.6Confident5 Ų549 Ų493%0.02624%0.242CC..  trans-100.8102.4-179.1-60.7168.9000109.3I215 K218 C249 Y252 D259 A260 W263I215-I254 HydrophobicContact CB-CD1 4.49Å; I215-I254 HydrophobicContact CD1-CD1 3.43Å; I215-I254 VanDerWaalsContact CD1-CD1 3.43Å; I215-I254 HydrophobicContact CG1-CD1 3.67Å; I215-I254 HydrophobicContact CG2-CD1 4.02Å; K218-I254 HydrophobicContact CD-CG2 4.18Å; C249-I254 PolarHBondContact O-N 3.45Å; Y252-I254 VanDerWaalsContact C-N 3.29Å; Y252-I254 PolarHBondContact O-N 3.48Å; I254-D259 HydrophobicContact CG2-CB 4.17Å; I254-A260 HydrophobicContact CG2-CB 3.73Å; I254-W263 HydrophobicContact CD1-CB 3.97Å; I254-W263 HydrophobicContact CD1-CD2 4.23Å; I254-W263 HydrophobicContact CD1-CG 3.7Å
255H85.8Confident89.3Confident101 Ų10150.2 Ų50.247%0.46824%0.244SC..  trans-112.1-40.7-179.3-57.3-70.9000112.1
256T89Confident89.1Confident65 Ų6553.7 Ų53.740%0.39927%0.269SS..SBendtrans-99.7163.7-175.372.10000112.6L258 D259 A260T256-L258 PolarHBondContact O-N 3.37Å; T256-L258 PolarHBondContact OG1-N 3.06Å; T256-D259 WeakPolarHBondContact CB-OD2 3.44Å; T256-D259 PolarHBondContact N-OD2 3.13Å; T256-D259 PolarHBondContact O-N 2.97Å; T256-D259 PolarHBondContact OG1-N 3.4Å; T256-D259 PolarHBondContact OG1-OD1 2.9Å; T256-D259 PolarHBondContact OG1-OD2 3.43Å; T256-A260 PolarHBondContact O-N 3.29Å; T256-A260 VanDerWaalsContact O-N 3.14Å
257C88.4Confident88.9Confident15 Ų1558.2 Ų58.210%0.10129%0.285CS..Hα-helixtrans-60-36.6172.1-178.10000111.6T223 A260 C261T223-C257 HydrophobicContact CG2-CB 4.5Å; C257-A260 PolarHBondContact O-N 2.88Å; C257-C261 WeakPolarHBondContact O-CB 3.12Å; C257-C261 PolarHBondContact O-N 3.46Å; C257-C261 PolarHBondContact O-SG 2.88Å
258L88.7Confident88.5Confident34 Ų3453.7 Ų53.718%0.17827%0.267CS..Hα-helixtrans-64-47.1177.2179.162.5000111.4T256 A260 C261 N262 E291 I295T256-L258 PolarHBondContact O-N 3.37Å; T256-L258 PolarHBondContact OG1-N 3.06Å; L258-A260 VanDerWaalsContact C-N 3.29Å; L258-A260 PolarHBondContact O-N 3.15Å; L258-C261 PolarHBondContact O-N 3.49Å; L258-N262 WeakPolarHBondContact O-CB 3.16Å; L258-N262 PolarHBondContact O-N 2.87Å; L258-N262 PolarHBondContact O-ND2 3.08Å; L258-E291 HydrophobicContact CD1-CB 3.94Å; L258-E291 HydrophobicContact CD1-CG 4.4Å; L258-E291 HydrophobicContact CD2-CB 4.39Å; L258-E291 HydrophobicContact CD2-CG 4.34Å; L258-E291 WeakPolarHBondContact CD2-OE2 3.43Å; L258-I295 HydrophobicContact CB-CD1 4.3Å; L258-I295 HydrophobicContact CD1-CD1 3.89Å; L258-I295 HydrophobicContact CD1-CG1 3.94Å
259D90.4Very high87.8Confident58 Ų5860.4 Ų60.431%0.3129%0.292SS..Hα-helixtrans-59.1-43.9177.7-54.2-35.9000110.8I254 T256 N262 W263I254-D259 HydrophobicContact CG2-CB 4.17Å; T256-D259 WeakPolarHBondContact CB-OD2 3.44Å; T256-D259 PolarHBondContact N-OD2 3.13Å; T256-D259 PolarHBondContact O-N 2.97Å; T256-D259 PolarHBondContact OG1-N 3.4Å; T256-D259 PolarHBondContact OG1-OD1 2.9Å; T256-D259 PolarHBondContact OG1-OD2 3.43Å; D259-N262 PolarHBondContact O-N 3.48Å; D259-W263 WeakPolarHBondContact O-CB 3.45Å; D259-W263 PolarHBondContact O-N 2.97Å
260A90.3Very high86.5Confident0 Ų067.8 Ų67.80%033%0.326CS..Hα-helixtrans-64.4-43.1177.800000111.9I215 K218 A219 I254 T256 C257 L258 W263 L264I215-A260 HydrophobicContact CG2-CB 4.04Å; K218-A260 HydrophobicContact CB-CB 3.89Å; A219-A260 HydrophobicContact CB-CB 3.95Å; I254-A260 HydrophobicContact CG2-CB 3.73Å; T256-A260 PolarHBondContact O-N 3.29Å; T256-A260 VanDerWaalsContact O-N 3.14Å; C257-A260 PolarHBondContact O-N 2.88Å; L258-A260 VanDerWaalsContact C-N 3.29Å; L258-A260 PolarHBondContact O-N 3.15Å; A260-W263 PolarHBondContact O-N 3.21Å; A260-L264 VanDerWaalsContact O-CG 3.3Å; A260-L264 WeakPolarHBondContact O-CG 3.24Å; A260-L264 PolarHBondContact O-N 3.24Å
261C89.4Confident84.8Confident0 Ų066.9 Ų66.90%033%0.326CS..Hα-helixtrans-65.4-42.5177.3-70.50000111.9C257 L258 W263 L264 H265 I295 I298C257-C261 WeakPolarHBondContact O-CB 3.12Å; C257-C261 PolarHBondContact O-N 3.46Å; C257-C261 PolarHBondContact O-SG 2.88Å; L258-C261 PolarHBondContact O-N 3.49Å; C261-W263 VanDerWaalsContact C-N 3.35Å; C261-L264 PolarHBondContact O-N 3.1Å; C261-H265 VanDerWaalsContact O-CB 3.27Å; C261-H265 WeakPolarHBondContact O-CB 3.18Å; C261-H265 PolarHBondContact O-N 3.17Å; C261-I295 HydrophobicContact CB-CG1 4.28Å; C261-I298 HydrophobicContact CB-CB 4.37Å; C261-I298 HydrophobicContact CB-CG1 4.37Å; C261-I298 HydrophobicContact CB-CG2 4.44Å
262N88.3Confident82.5Confident60 Ų6072.1 Ų72.132%0.32134%0.34SS..Hα-helixtrans-62.1-43.5175.5-76.8-26.8000111.5L258 D259 H265 S266L258-N262 WeakPolarHBondContact O-CB 3.16Å; L258-N262 PolarHBondContact O-N 2.87Å; L258-N262 PolarHBondContact O-ND2 3.08Å; D259-N262 PolarHBondContact O-N 3.48Å; N262-H265 PolarHBondContact O-N 3.46Å; N262-S266 PolarHBondContact O-N 3.06Å; N262-S266 VanDerWaalsContact O-N 3.07Å
263W90.3Very high79.9Confident46 Ų4675.4 Ų75.417%0.17435%0.353CS..Hα-helixtrans-61.1-47.1176.2-167.797000111.4V211 P212 I215 Y252 I254 D259 A260 C261 S266 R267V211-W263 HydrophobicContact CG1-CZ3 4.17Å; V211-W263 HydrophobicContact CG2-CZ3 4.28Å; P212-W263 HydrophobicContact CG-CH2 4.38Å; I215-W263 HydrophobicContact CD1-CD2 4.03Å; I215-W263 HydrophobicContact CD1-CE3 4.02Å; I215-W263 HydrophobicContact CD1-CH2 4.16Å; I215-W263 HydrophobicContact CD1-CZ2 4.13Å; I215-W263 HydrophobicContact CD1-CZ3 4.1Å; I215-W263 HydrophobicContact CG2-CD2 4.48Å; I215-W263 HydrophobicContact CG2-CE3 4.01Å; Y252-W263 HydrophobicContact CE2-CZ2 4.28Å; I254-W263 HydrophobicContact CD1-CB 3.97Å; I254-W263 HydrophobicContact CD1-CD2 4.23Å; I254-W263 HydrophobicContact CD1-CG 3.7Å; D259-W263 WeakPolarHBondContact O-CB 3.45Å; D259-W263 PolarHBondContact O-N 2.97Å; A260-W263 PolarHBondContact O-N 3.21Å; C261-W263 VanDerWaalsContact C-N 3.35Å; W263-S266 PolarHBondContact O-N 3.48Å; W263-S266 PolarHBondContact O-OG 2.8Å; W263-R267 HydrophobicContact CH2-CG 4.46Å; W263-R267 HydrophobicContact CZ3-CG 4.41Å
264L88.9Confident77.5Confident1 Ų177.5 Ų77.51%0.00535%0.352CS..Hα-helixtrans-63.6-41.9176.8-71175.5000112.6F207 V211 I215 L216 A219 A260 C261 S266 R267 L268 I298F207-L264 HydrophobicContact CE1-CB 4.5Å; F207-L264 HydrophobicContact CE1-CD2 3.98Å; F207-L264 HydrophobicContact CZ-CD2 4.19Å; V211-L264 HydrophobicContact CB-CD2 4.42Å; V211-L264 HydrophobicContact CG1-CD2 3.51Å; V211-L264 HydrophobicContact CG2-CD2 3.99Å; I215-L264 HydrophobicContact CG2-CG 4.44Å; L216-L264 HydrophobicContact CD1-CD1 4.34Å; A219-L264 HydrophobicContact CB-CD1 3.46Å; A219-L264 VanDerWaalsContact CB-CD1 3.46Å; A260-L264 VanDerWaalsContact O-CG 3.3Å; A260-L264 WeakPolarHBondContact O-CG 3.24Å; A260-L264 PolarHBondContact O-N 3.24Å; C261-L264 PolarHBondContact O-N 3.1Å; L264-S266 VanDerWaalsContact C-N 3.3Å; L264-S266 PolarHBondContact O-N 3.1Å; L264-R267 PolarHBondContact O-N 3.35Å; L264-R267 VanDerWaalsContact O-N 3.1Å; L264-L268 PolarHBondContact O-N 3.04Å; L264-L268 VanDerWaalsContact O-N 3.11Å; L264-I298 HydrophobicContact CB-CD1 4.29Å; L264-I298 HydrophobicContact CB-CG2 4.44Å; L264-I298 HydrophobicContact CD1-CG2 4.08Å
265H86.4Confident74.9Confident66 Ų6683.5 Ų83.531%0.30639%0.389SS..Hα-helixtrans-59.6-41.8178.9-175.6-100.1000111.4C261 N262 R267 L268 I294 I298C261-H265 VanDerWaalsContact O-CB 3.27Å; C261-H265 WeakPolarHBondContact O-CB 3.18Å; C261-H265 PolarHBondContact O-N 3.17Å; N262-H265 PolarHBondContact O-N 3.46Å; H265-R267 PolarHBondContact O-N 3.42Å; H265-L268 PolarHBondContact O-N 2.91Å; H265-I294 HydrophobicContact CB-CG2 4.09Å; H265-I298 HydrophobicContact CB-CD1 3.9Å; H265-I298 HydrophobicContact CB-CG1 4.17Å
266S86.2Confident72.6Confident76 Ų7682.5 Ų82.553%0.53140%0.398SS..Hα-helixtrans-63.5-23177.479.20000114.3N262 W263 L264N262-S266 PolarHBondContact O-N 3.06Å; N262-S266 VanDerWaalsContact O-N 3.07Å; W263-S266 PolarHBondContact O-N 3.48Å; W263-S266 PolarHBondContact O-OG 2.8Å; L264-S266 VanDerWaalsContact C-N 3.3Å; L264-S266 PolarHBondContact O-N 3.1Å
267R87.5Confident70.2Confident111 Ų11185.7 Ų85.742%0.41941%0.407SS..Hα-helixtrans-107.91.3-176.2-59.5-57.1-174.2171.40.4113.7I208 W263 L264 H265I208-R267 WeakPolarHBondContact CG1-O 3.4Å; I208-R267 PolarHBondContact N-O 3.45Å; W263-R267 HydrophobicContact CH2-CG 4.46Å; W263-R267 HydrophobicContact CZ3-CG 4.41Å; L264-R267 PolarHBondContact O-N 3.35Å; L264-R267 VanDerWaalsContact O-N 3.1Å; H265-R267 PolarHBondContact O-N 3.42Å
268L82.9Confident67.8Low32 Ų3287 Ų8717%0.16842%0.422CS..BIsolated β-bridgetrans-70.2131176.5-155.685.7000109.9F207 L264 H265 Q270 F301F207-L268 HydrophobicContact CD1-CD1 4.1Å; F207-L268 HydrophobicContact CE1-CD1 3.71Å; F207-L268 HydrophobicContact CZ-CD1 4.47Å; L264-L268 PolarHBondContact O-N 3.04Å; L264-L268 VanDerWaalsContact O-N 3.11Å; H265-L268 PolarHBondContact O-N 2.91Å; L268-Q270 PolarHBondContact O-N 3.08Å; L268-Q270 VanDerWaalsContact O-N 3.09Å; L268-F301 HydrophobicContact CD1-CD1 4.11Å; L268-F301 HydrophobicContact CD1-CD2 3.94Å; L268-F301 HydrophobicContact CD1-CE1 3.88Å; L268-F301 HydrophobicContact CD1-CE2 3.66Å; L268-F301 HydrophobicContact CD1-CG 4.18Å; L268-F301 HydrophobicContact CD1-CZ 3.68Å; L268-F301 HydrophobicContact CD2-CD2 4.35Å; L268-F301 HydrophobicContact CG-CE2 4.47Å
269R75.2Confident65.1Low144 Ų14490.7 Ų90.754%0.54346%0.458SS..  trans-68.4110.2168.5-71.4-178.5-177.5-162.7-4.7107.9N205 S206 F207 I208N205-R269 WeakPolarHBondContact O-CD 3.33Å; S206-R269 WeakPolarHBondContact O-CB 3.08Å; S206-R269 PolarHBondContact O-N 2.97Å; F207-R269 PolarHBondContact O-NE 3.24Å; I208-R269 HydrophobicContact CB-CG 4.49Å; I208-R269 HydrophobicContact CG1-CG 3.49Å; I208-R269 VanDerWaalsContact CG1-CG 3.49Å
270Q61.1Low62.5Low157 Ų15791.4 Ų91.473%0.73448%0.479SS*.  trans-55.9128.6173.6-70.8-148-4.800109.7L268 R272L268-Q270 PolarHBondContact O-N 3.08Å; L268-Q270 VanDerWaalsContact O-N 3.09Å; Q270-R272 PolarHBondContact O-N 3.12Å; Q270-R272 VanDerWaalsContact O-N 3.1Å
271P53.3Low60Low75 Ų75102.3 Ų102.349%0.48752%0.52SS..  trans-63119.417824.2-31.1000108.1Y273 R274P271-Y273 PolarHBondContact O-N 3.34Å; P271-R274 HydrophobicContact CG-CG 4.31Å; P271-R274 PolarHBondContact O-N 3.07Å
272R42.5Very low57.5Low238 Ų238108.1 Ų108.190%0.89856%0.556SS**THydrogen-bonded Turntrans-55.7-2.8174-75-175.7177.7175.7-1.7114.1Q270 T275Q270-R272 PolarHBondContact O-N 3.12Å; Q270-R272 VanDerWaalsContact O-N 3.1Å; R272-T275 PolarHBondContact O-OG1 3.01Å
273Y35.6Very low55Low181 Ų181113.5 Ų113.571%0.7158%0.584SS**THydrogen-bonded Turntrans-97.1-3.9-177.7-105.1-89.2000115.5P271 T275P271-Y273 PolarHBondContact O-N 3.34Å; Y273-T275 PolarHBondContact O-N 2.77Å
274R38.6Very low52.6Low163 Ų163120.7 Ų120.762%0.61561%0.611SS**THydrogen-bonded Turntrans-69.7-9.7175.7-89.1-172.7178.91713.7114P271 E297P271-R274 HydrophobicContact CG-CG 4.31Å; P271-R274 PolarHBondContact O-N 3.07Å; R274-E297 IonicContact CZ-OE1 3.44Å; R274-E297 IonicContact NH1-OE1 3.49Å; R274-E297 PolarHBondContact NH1-OE1 3.33Å; R274-E297 IonicContact NH2-OE1 3.84Å; R274-E297 PolarHBondContact NH2-OE1 2.9Å
275T34.4Very low50Low131 Ų131125.8 Ų125.880%0.80464%0.642SS**THydrogen-bonded Turntrans-88.3-4.1-177.939.90000115.8R272 Y273R272-T275 PolarHBondContact O-OG1 3.01Å; Y273-T275 PolarHBondContact O-N 2.77Å
276A37.5Very low48.2Very low79 Ų79126.9 Ų126.965%0.65366%0.663SS**THydrogen-bonded Turntrans-118.5-19.3-177.700000115.5
277F38.8Very low46.4Very low133 Ų133127.5 Ų127.558%0.58367%0.673SS**SBendtrans-103.120.2-174.7-96.7-84.5000114.4W375F277-W375 HydrophobicContact CD1-CH2 4.42Å; F277-W375 HydrophobicContact CD1-CZ3 4.47Å; F277-W375 HydrophobicContact CE1-CE3 4.29Å; F277-W375 HydrophobicContact CE1-CH2 4.26Å; F277-W375 AromaticContact CE1-CZ3 3.92Å; F277-W375 HydrophobicContact CE1-CZ3 3.92Å
278G36.8Very low44.7Very low41 Ų41128 Ų12842%0.42368%0.683SS.*  trans-176.254.3-177.100000114G280G278-G280 PolarHBondContact O-N 3.13Å; G278-G280 VanDerWaalsContact O-N 3.1Å
279A32.2Very low43.5Very low113 Ų113130.8 Ų130.893%0.93470%0.698SS**THydrogen-bonded Turntrans-67.52.2169.300000113.5
280G35.8Very low43Very low73 Ų73129.4 Ų129.475%0.75370%0.7SS**THydrogen-bonded Turntrans-115.4-1.3-179.900000116G278G278-G280 PolarHBondContact O-N 3.13Å; G278-G280 VanDerWaalsContact O-N 3.1Å
281R39.3Very low43.4Very low228 Ų228128 Ų12886%0.8669%0.694SS**SBendtrans-96.1101.3169-91.3-176.8169.6172.2-2.3108.8L283R281-L283 PolarHBondContact O-N 3.01Å
282T35.6Very low44.3Very low123 Ų123128.8 Ų128.876%0.75570%0.697SS**  trans-20.7127163.233.10000112.7R284T282-R284 VanDerWaalsContact C-N 3.31Å; T282-R284 PolarHBondContact O-N 3.23Å
283L35.6Very low45.9Very low172 Ų172120.5 Ų120.590%0.90167%0.671SS**  trans-48.2101161.4-83.689.2000107.5R281 T285R281-L283 PolarHBondContact O-N 3.01Å; L283-T285 VanDerWaalsContact C-N 3.35Å; L283-T285 PolarHBondContact O-N 2.93Å
284R39.6Very low48Very low197 Ų197113 Ų11374%0.74364%0.643SS**  trans-67106159.3-76-172.6175.9-174.3-2.2104.9T282T282-R284 VanDerWaalsContact C-N 3.31Å; T282-R284 PolarHBondContact O-N 3.23Å
285T35.9Very low50.1Low108 Ų108107.2 Ų107.266%0.66362%0.623SS**  trans-47.7140.2165.314.80000108.7L283 A287 N288L283-T285 VanDerWaalsContact C-N 3.35Å; L283-T285 PolarHBondContact O-N 2.93Å; T285-A287 PolarHBondContact O-N 3.47Å; T285-N288 PolarHBondContact O-N 2.79Å
286A48.1Very low52.4Low90 Ų90104 Ų10474%0.74460%0.601SS**G310 helixtrans-55-8-171.700000115.7
287A48.5Very low54.6Low89 Ų89103.5 Ų103.574%0.73659%0.585SS**G310 helixtrans-78.2-13.5-177.600000115.4T285T285-A287 PolarHBondContact O-N 3.47Å
288N51.2Low56.8Low121 Ų12197.2 Ų97.265%0.64756%0.558SS**G310 helixtrans-115.830.2-176-77.5-9.4000114T285T285-N288 PolarHBondContact O-N 2.79Å
289I58Low59.1Low91 Ų9196.7 Ų96.747%0.46754%0.544SS..  trans-91.9107.7170.6-56.6172.8000106.8D293 I294I289-D293 HydrophobicContact CG2-CB 4.26Å; I289-I294 HydrophobicContact CG2-CD1 3.94Å; I289-I294 HydrophobicContact CG2-CG1 3.48Å; I289-I294 VanDerWaalsContact CG2-CG1 3.48Å
290L64.4Low61.5Low115 Ų11597.4 Ų97.460%0.60252%0.523SS*.  trans-65.5142.4171.8-71.7160.8000108.4T292 D293 I294L290-T292 WeakPolarHBondContact CB-OG1 2.96Å; L290-T292 PolarHBondContact O-N 2.74Å; L290-T292 VanDerWaalsContact O-N 3.09Å; L290-D293 WeakPolarHBondContact O-CA 3.45Å; L290-D293 VanDerWaalsContact O-CB 3.3Å; L290-D293 WeakPolarHBondContact O-CB 3.43Å; L290-D293 PolarHBondContact O-N 2.76Å; L290-I294 PolarHBondContact O-N 3.3Å
291E68.9Low63.9Low127 Ų12795.2 Ų95.259%0.59349%0.493SS*.Hα-helixtrans-54-32.9176.8-67.2179.3168.200111.9L258 D293 I294 I295L258-E291 HydrophobicContact CD1-CB 3.94Å; L258-E291 HydrophobicContact CD1-CG 4.4Å; L258-E291 HydrophobicContact CD2-CB 4.39Å; L258-E291 HydrophobicContact CD2-CG 4.34Å; L258-E291 WeakPolarHBondContact CD2-OE2 3.43Å; E291-D293 VanDerWaalsContact C-N 3.3Å; E291-D293 PolarHBondContact O-N 3.37Å; E291-I294 PolarHBondContact O-N 3.06Å; E291-I295 PolarHBondContact O-N 2.96Å
292T72.4Confident66.1Low91 Ų9184.4 Ų84.456%0.55845%0.452SS*.Hα-helixtrans-61.6-34.2173.654.30000113.1L290 L296L290-T292 WeakPolarHBondContact CB-OG1 2.96Å; L290-T292 PolarHBondContact O-N 2.74Å; L290-T292 VanDerWaalsContact O-N 3.09Å; T292-L296 WeakPolarHBondContact O-CB 3.33Å; T292-L296 PolarHBondContact O-N 3.11Å
293D77.5Confident68.3Low65 Ų6583.1 Ų83.135%0.34843%0.433SS..Hα-helixtrans-69.2-36.9178.9-66.9-25.9000111I289 L290 E291 L296 E297I289-D293 HydrophobicContact CG2-CB 4.26Å; L290-D293 WeakPolarHBondContact O-CA 3.45Å; L290-D293 VanDerWaalsContact O-CB 3.3Å; L290-D293 WeakPolarHBondContact O-CB 3.43Å; L290-D293 PolarHBondContact O-N 2.76Å; E291-D293 VanDerWaalsContact C-N 3.3Å; E291-D293 PolarHBondContact O-N 3.37Å; D293-L296 PolarHBondContact O-N 3.25Å; D293-E297 VanDerWaalsContact O-CB 3.31Å; D293-E297 WeakPolarHBondContact O-CB 3.4Å; D293-E297 PolarHBondContact O-N 3.32Å
294I79.1Confident70.4Confident24 Ų2477.6 Ų77.612%0.12341%0.405CS..Hα-helixtrans-67.3-49.1178-56.8176.3000110.4H265 I289 L290 E291 L296 E297 I298H265-I294 HydrophobicContact CB-CG2 4.09Å; I289-I294 HydrophobicContact CG2-CD1 3.94Å; I289-I294 HydrophobicContact CG2-CG1 3.48Å; I289-I294 VanDerWaalsContact CG2-CG1 3.48Å; L290-I294 PolarHBondContact O-N 3.3Å; E291-I294 PolarHBondContact O-N 3.06Å; I294-L296 VanDerWaalsContact C-N 3.28Å; I294-L296 PolarHBondContact O-N 3.18Å; I294-E297 PolarHBondContact O-N 2.86Å; I294-I298 WeakPolarHBondContact O-CG1 3.23Å; I294-I298 PolarHBondContact O-N 3.05Å
295I81.9Confident72.4Confident40 Ų4070.4 Ų70.421%0.20538%0.381CS..Hα-helixtrans-56.6-48.1177.1-67172.9000109.5L258 C261 E291 E297 I298 Q299L258-I295 HydrophobicContact CB-CD1 4.3Å; L258-I295 HydrophobicContact CD1-CD1 3.89Å; L258-I295 HydrophobicContact CD1-CG1 3.94Å; C261-I295 HydrophobicContact CB-CG1 4.28Å; E291-I295 PolarHBondContact O-N 2.96Å; I295-E297 PolarHBondContact O-N 2.8Å; I295-I298 PolarHBondContact O-N 3.27Å; I295-Q299 HydrophobicContact CG2-CG 4.17Å; I295-Q299 VanDerWaalsContact O-CB 3.29Å; I295-Q299 WeakPolarHBondContact O-CB 3.33Å; I295-Q299 VanDerWaalsContact O-CG 3.25Å; I295-Q299 WeakPolarHBondContact O-CG 3.38Å; I295-Q299 PolarHBondContact O-N 3.31Å
296L83.3Confident74.7Confident65 Ų6565.3 Ų65.334%0.3435%0.349SS..Hα-helixtrans-67.4-35.9-177.7-165114.5000112.3T292 D293 I294 R300T292-L296 WeakPolarHBondContact O-CB 3.33Å; T292-L296 PolarHBondContact O-N 3.11Å; D293-L296 PolarHBondContact O-N 3.25Å; I294-L296 VanDerWaalsContact C-N 3.28Å; I294-L296 PolarHBondContact O-N 3.18Å; L296-R300 VanDerWaalsContact O-CB 3.27Å; L296-R300 WeakPolarHBondContact O-CB 3.4Å; L296-R300 WeakPolarHBondContact O-CD 3.2Å; L296-R300 WeakPolarHBondContact O-CG 3.31Å; L296-R300 PolarHBondContact O-N 2.84Å
297E83.1Confident76.4Confident67 Ų6761.1 Ų61.131%0.31331%0.314SS..Hα-helixtrans-65.7-45.9174.4-174167.6-161.100111.4R274 D293 I294 I295 R300 F301R274-E297 IonicContact CZ-OE1 3.44Å; R274-E297 IonicContact NH1-OE1 3.49Å; R274-E297 PolarHBondContact NH1-OE1 3.33Å; R274-E297 IonicContact NH2-OE1 3.84Å; R274-E297 PolarHBondContact NH2-OE1 2.9Å; D293-E297 VanDerWaalsContact O-CB 3.31Å; D293-E297 WeakPolarHBondContact O-CB 3.4Å; D293-E297 PolarHBondContact O-N 3.32Å; I294-E297 PolarHBondContact O-N 2.86Å; I295-E297 PolarHBondContact O-N 2.8Å; E297-R300 PolarHBondContact O-N 3.47Å; E297-F301 WeakPolarHBondContact O-CB 3.42Å; E297-F301 PolarHBondContact O-N 3.31Å
298I85.5Confident78.1Confident2 Ų257.5 Ų57.51%0.0128%0.283CS..Hα-helixtrans-67.4-44.2177.8-66.3-66.6000111.3C261 L264 H265 I294 I295 R300 F301 L302C261-I298 HydrophobicContact CB-CB 4.37Å; C261-I298 HydrophobicContact CB-CG1 4.37Å; C261-I298 HydrophobicContact CB-CG2 4.44Å; L264-I298 HydrophobicContact CB-CD1 4.29Å; L264-I298 HydrophobicContact CB-CG2 4.44Å; L264-I298 HydrophobicContact CD1-CG2 4.08Å; H265-I298 HydrophobicContact CB-CD1 3.9Å; H265-I298 HydrophobicContact CB-CG1 4.17Å; I294-I298 WeakPolarHBondContact O-CG1 3.23Å; I294-I298 PolarHBondContact O-N 3.05Å; I295-I298 PolarHBondContact O-N 3.27Å; I298-R300 VanDerWaalsContact C-N 3.34Å; I298-R300 PolarHBondContact O-N 3.07Å; I298-F301 CarbonylContact O-C 3.49Å; I298-F301 WeakPolarHBondContact O-CB 3.34Å; I298-F301 PolarHBondContact O-N 2.89Å; I298-F301 VanDerWaalsContact O-N 3.14Å; I298-L302 HydrophobicContact CG2-CD1 4.17Å; I298-L302 HydrophobicContact CG2-CG 4.27Å; I298-L302 VanDerWaalsContact O-CG 3.3Å; I298-L302 WeakPolarHBondContact O-CG 3.45Å; I298-L302 PolarHBondContact O-N 2.81Å
299Q85Confident79.7Confident29 Ų2952.1 Ų52.114%0.13625%0.254CS..Hα-helixtrans-63.2-39.2177.2-74.1179.1-8.900112I295 L302 R303 F317I295-Q299 HydrophobicContact CG2-CG 4.17Å; I295-Q299 VanDerWaalsContact O-CB 3.29Å; I295-Q299 WeakPolarHBondContact O-CB 3.33Å; I295-Q299 VanDerWaalsContact O-CG 3.25Å; I295-Q299 WeakPolarHBondContact O-CG 3.38Å; I295-Q299 PolarHBondContact O-N 3.31Å; Q299-L302 PolarHBondContact O-N 3.12Å; Q299-R303 WeakPolarHBondContact O-CB 3.44Å; Q299-R303 PolarHBondContact O-N 3.02Å; Q299-F317 HydrophobicContact CB-CE2 4.08Å; Q299-F317 HydrophobicContact CB-CZ 3.87Å; Q299-F317 HydrophobicContact CG-CE2 3.89Å; Q299-F317 HydrophobicContact CG-CZ 4.05Å
300R83.5Confident81.1Confident128 Ų12848 Ų4848%0.48323%0.233SC..Hα-helixtrans-63.6-41.6171.4-76.9171.6175.5-179.2-1.2111.9L296 E297 I298 R303 D304L296-R300 VanDerWaalsContact O-CB 3.27Å; L296-R300 WeakPolarHBondContact O-CB 3.4Å; L296-R300 WeakPolarHBondContact O-CD 3.2Å; L296-R300 WeakPolarHBondContact O-CG 3.31Å; L296-R300 PolarHBondContact O-N 2.84Å; E297-R300 PolarHBondContact O-N 3.47Å; I298-R300 VanDerWaalsContact C-N 3.34Å; I298-R300 PolarHBondContact O-N 3.07Å; R300-R303 WeakPolarHBondContact O-CB 3.47Å; R300-R303 PolarHBondContact O-N 3.16Å; R300-D304 WeakPolarHBondContact O-CB 3.49Å; R300-D304 VanDerWaalsContact O-CG 3.25Å; R300-D304 PolarHBondContact O-N 3.25Å
301F85.2Confident81.9Confident28 Ų2849 Ų4912%0.12324%0.235CC..Hα-helixtrans-60.6-47.4174.8169.4-84.9000111.6F207 L268 E297 I298 R303 D304 I305 I306F207-F301 HydrophobicContact CE1-CE1 4.27Å; F207-F301 HydrophobicContact CE2-CE1 4.25Å; F207-F301 AromaticContact CZ-CE1 3.68Å; F207-F301 HydrophobicContact CZ-CE1 3.68Å; F207-F301 HydrophobicContact CZ-CZ 4.3Å; L268-F301 HydrophobicContact CD1-CD1 4.11Å; L268-F301 HydrophobicContact CD1-CD2 3.94Å; L268-F301 HydrophobicContact CD1-CE1 3.88Å; L268-F301 HydrophobicContact CD1-CE2 3.66Å; L268-F301 HydrophobicContact CD1-CG 4.18Å; L268-F301 HydrophobicContact CD1-CZ 3.68Å; L268-F301 HydrophobicContact CD2-CD2 4.35Å; L268-F301 HydrophobicContact CG-CE2 4.47Å; E297-F301 WeakPolarHBondContact O-CB 3.42Å; E297-F301 PolarHBondContact O-N 3.31Å; I298-F301 CarbonylContact O-C 3.49Å; I298-F301 WeakPolarHBondContact O-CB 3.34Å; I298-F301 PolarHBondContact O-N 2.89Å; I298-F301 VanDerWaalsContact O-N 3.14Å; F301-R303 VanDerWaalsContact C-N 3.29Å; F301-R303 PolarHBondContact O-N 3.43Å; F301-D304 PolarHBondContact O-N 3.46Å; F301-I305 HydrophobicContact CD2-CD1 3.43Å; F301-I305 VanDerWaalsContact CD2-CD1 3.43Å; F301-I305 HydrophobicContact CE2-CB 4.28Å; F301-I305 HydrophobicContact CE2-CD1 3.14Å; F301-I305 HydrophobicContact CE2-CG1 4.25Å; F301-I305 HydrophobicContact CE2-CG2 4.32Å; F301-I305 HydrophobicContact CG-CD1 4.36Å; F301-I305 HydrophobicContact CZ-CB 4.19Å; F301-I305 HydrophobicContact CZ-CD1 3.9Å; F301-I305 HydrophobicContact CZ-CG2 3.95Å; F301-I305 WeakPolarHBondContact O-CB 3.32Å; F301-I305 PolarHBondContact O-N 3.33Å; F301-I306 HydrophobicContact CE1-CD1 4.49Å; F301-I306 HydrophobicContact CE1-CG1 4.5Å
302L85.7Confident82.4Confident0 Ų044.6 Ų44.60%021%0.214CC..Hα-helixtrans-60-42176.6-67.7178.7000110.7L216 A219 M220 I298 Q299 I306 F317 R320L216-L302 HydrophobicContact CD1-CD1 4.48Å; L216-L302 HydrophobicContact CD1-CD2 3.59Å; A219-L302 HydrophobicContact CB-CD1 4.35Å; M220-L302 HydrophobicContact CG-CD1 4.22Å; I298-L302 HydrophobicContact CG2-CD1 4.17Å; I298-L302 HydrophobicContact CG2-CG 4.27Å; I298-L302 VanDerWaalsContact O-CG 3.3Å; I298-L302 WeakPolarHBondContact O-CG 3.45Å; I298-L302 PolarHBondContact O-N 2.81Å; Q299-L302 PolarHBondContact O-N 3.12Å; L302-I306 HydrophobicContact CD2-CD1 3.41Å; L302-I306 VanDerWaalsContact CD2-CD1 3.41Å; L302-I306 HydrophobicContact CD2-CG1 4.12Å; L302-I306 PolarHBondContact O-N 3.49Å; L302-F317 HydrophobicContact CB-CE1 3.88Å; L302-F317 HydrophobicContact CB-CZ 4.37Å; L302-R320 PolarHBondContact O-NH1 3.01Å
303R82.8Confident82.8Confident96 Ų9648 Ų4836%0.36222%0.224SC..Hα-helixtrans-57.9-46.8174.8-175.7-163.766.8-170.2-3.1112.4Q299 R300 F301 M312 L315 R320Q299-R303 WeakPolarHBondContact O-CB 3.44Å; Q299-R303 PolarHBondContact O-N 3.02Å; R300-R303 WeakPolarHBondContact O-CB 3.47Å; R300-R303 PolarHBondContact O-N 3.16Å; F301-R303 VanDerWaalsContact C-N 3.29Å; F301-R303 PolarHBondContact O-N 3.43Å; R303-M312 HydrophobicContact CB-CE 3.79Å; R303-M312 HydrophobicContact CG-CE 3.72Å; R303-L315 HydrophobicContact CB-CD2 4.34Å; R303-R320 VanDerWaalsContact C-NH1 3.34Å; R303-R320 VanDerWaalsContact CA-NH1 3.25Å; R303-R320 PolarHBondContact O-NH1 2.8Å; R303-R320 PolarHBondContact O-NH2 2.69Å
304D78.8Confident82.9Confident57 Ų5754.8 Ų54.831%0.30525%0.251SS..Hα-helixtrans-87.7-19.1-168.6-64.4-15.8000114.1T187 R300 F301 T308T187-D304 WeakPolarHBondContact CG2-O 3.41Å; T187-D304 PolarHBondContact OG1-O 3.25Å; T187-D304 VanDerWaalsContact OG1-O 3.07Å; R300-D304 WeakPolarHBondContact O-CB 3.49Å; R300-D304 VanDerWaalsContact O-CG 3.25Å; R300-D304 PolarHBondContact O-N 3.25Å; F301-D304 PolarHBondContact O-N 3.46Å; D304-T308 WeakPolarHBondContact O-CG2 3.22Å
305I81.5Confident83Confident46 Ų4656.4 Ų56.424%0.23626%0.259CS..Hα-helixtrans-122.1-41.4-169.9-70.6168.3000114S189 H204 F301 T308S189-I305 VanDerWaalsContact CB-O 3.23Å; S189-I305 WeakPolarHBondContact CB-O 3.46Å; S189-I305 PolarHBondContact OG-O 2.6Å; H204-I305 WeakPolarHBondContact CE1-CG2 3.47Å; F301-I305 HydrophobicContact CD2-CD1 3.43Å; F301-I305 VanDerWaalsContact CD2-CD1 3.43Å; F301-I305 HydrophobicContact CE2-CB 4.28Å; F301-I305 HydrophobicContact CE2-CD1 3.14Å; F301-I305 HydrophobicContact CE2-CG1 4.25Å; F301-I305 HydrophobicContact CE2-CG2 4.32Å; F301-I305 HydrophobicContact CG-CD1 4.36Å; F301-I305 HydrophobicContact CZ-CB 4.19Å; F301-I305 HydrophobicContact CZ-CD1 3.9Å; F301-I305 HydrophobicContact CZ-CG2 3.95Å; F301-I305 WeakPolarHBondContact O-CB 3.32Å; F301-I305 PolarHBondContact O-N 3.33Å; I305-T308 VanDerWaalsContact C-CG2 3.47Å
306I84.4Confident83.2Confident1 Ų159 Ų591%0.00527%0.273CS..SBendtrans-93.2120.1-175.3-56.6-167.4000109.9T191 L202 F207 L216 F301 L302 T308 R320T191-I306 HydrophobicContact CG2-CG2 4.07Å; L202-I306 HydrophobicContact CD2-CD1 3.84Å; F207-I306 HydrophobicContact CE2-CD1 4.06Å; F207-I306 HydrophobicContact CZ-CD1 4.41Å; L216-I306 HydrophobicContact CD1-CD1 4.11Å; F301-I306 HydrophobicContact CE1-CD1 4.49Å; F301-I306 HydrophobicContact CE1-CG1 4.5Å; L302-I306 HydrophobicContact CD2-CD1 3.41Å; L302-I306 VanDerWaalsContact CD2-CD1 3.41Å; L302-I306 HydrophobicContact CD2-CG1 4.12Å; L302-I306 PolarHBondContact O-N 3.49Å; I306-T308 PolarHBondContact O-N 2.75Å; I306-R320 PolarHBondContact O-NH1 2.87Å
307I83.4Confident83.4Confident1 Ų156.2 Ų56.21%0.00526%0.258CS..SBendtrans52.557174.7-61.8159.1000111.9V180 S182 T191 H309 V310 R320 F323 L324 M327V180-I307 HydrophobicContact CG1-CG1 4.37Å; S182-I307 WeakPolarHBondContact OG-CA 3.36Å; T191-I307 HydrophobicContact CG2-CG1 4.46Å; I307-H309 PolarHBondContact O-N 2.92Å; I307-V310 HydrophobicContact CG2-CB 3.95Å; I307-V310 HydrophobicContact CG2-CG2 3.53Å; I307-V310 PolarHBondContact O-N 2.94Å; I307-R320 PolarHBondContact O-NE 2.8Å; I307-R320 VanDerWaalsContact O-NE 3.17Å; I307-F323 HydrophobicContact CD1-CD1 3.96Å; I307-F323 HydrophobicContact CD1-CE1 4.48Å; I307-F323 HydrophobicContact CG1-CD1 4.44Å; I307-F323 HydrophobicContact CG2-CD1 3.88Å; I307-F323 HydrophobicContact CG2-CE1 4.2Å; I307-F323 HydrophobicContact CG2-CG 4.48Å; I307-L324 HydrophobicContact CD1-CD1 4.23Å; I307-L324 HydrophobicContact CD1-CD2 3.27Å; I307-L324 HydrophobicContact CD1-CG 3.47Å; I307-L324 VanDerWaalsContact CD1-CG 3.47Å; I307-M327 HydrophobicContact CD1-SD 4.4Å
308T83.6Confident83.6Confident14 Ų1455.5 Ų55.59%0.08626%0.264CS..THydrogen-bonded Turntrans-74.8-14.6-168.955.80000113.9T187 D304 I305 I306 V310T187-T308 WeakPolarHBondContact OG1-CB 3.38Å; T187-T308 VanDerWaalsContact OG1-CG2 3.27Å; T187-T308 WeakPolarHBondContact OG1-CG2 3.18Å; T187-T308 PolarHBondContact OG1-OG1 2.98Å; D304-T308 WeakPolarHBondContact O-CG2 3.22Å; I305-T308 VanDerWaalsContact C-CG2 3.47Å; I306-T308 PolarHBondContact O-N 2.75Å; T308-V310 VanDerWaalsContact C-N 3.33Å
309H86.1Confident83.7Confident7 Ų757.1 Ų57.13%0.03228%0.275CS..THydrogen-bonded Turntrans-78-18.917770.2-83.7000113N164 S182 I307 E311 F323N164-H309 HydrophobicContact CB-CB 4.32Å; N164-H309 VanDerWaalsContact CG-CB 3.47Å; N164-H309 VanDerWaalsContact OD1-CB 3.3Å; N164-H309 WeakPolarHBondContact OD1-CB 3.27Å; S182-H309 WeakPolarHBondContact CB-ND1 3.35Å; S182-H309 PolarHBondContact OG-CE1 2.97Å; S182-H309 PolarHBondContact OG-ND1 3.29Å; I307-H309 PolarHBondContact O-N 2.92Å; H309-E311 PolarHBondContact O-N 3.33Å; H309-F323 AromaticContact CE1-CZ 3.97Å; H309-F323 AromaticContact NE2-CZ 3.71Å
310V86.8Confident83.9Confident4 Ų456.2 Ų56.22%0.02427%0.27CS..SBendtrans-87.6108.9171.1-179.40000107.5I307 T308 P319 R320 F323I307-V310 HydrophobicContact CG2-CB 3.95Å; I307-V310 HydrophobicContact CG2-CG2 3.53Å; I307-V310 PolarHBondContact O-N 2.94Å; T308-V310 VanDerWaalsContact C-N 3.33Å; V310-P319 HydrophobicContact CG1-CB 4Å; V310-P319 HydrophobicContact CG1-CG 4.41Å; V310-R320 HydrophobicContact CB-CG 3.99Å; V310-R320 HydrophobicContact CG1-CG 3.86Å; V310-R320 PolarHBondContact O-NE 2.99Å; V310-R320 PolarHBondContact O-NH2 3.15Å; V310-F323 HydrophobicContact CG2-CD2 4.34Å; V310-F323 HydrophobicContact CG2-CG 4.31Å
311E81.2Confident84.2Confident138 Ų13850.1 Ų50.165%0.64525%0.247SC*.  trans-65.4148.1179.4-69.3168.2-147.100110.8H309 K530H309-E311 PolarHBondContact O-N 3.33Å; E311-K530 IonicContact OE1-NZ 2.56Å; E311-K530 PolarHBondContact OE1-NZ 2.91Å
312M80.3Confident84.5Confident33 Ų3349.3 Ų49.316%0.16324%0.243CC..  trans-136.9126.5177.9-63.4-171.3-53.600109.1R303 N316 F317 R320R303-M312 HydrophobicContact CB-CE 3.79Å; R303-M312 HydrophobicContact CG-CE 3.72Å; M312-N316 WeakPolarHBondContact CG-O 3.46Å; M312-F317 HydrophobicContact CE-CD1 3.83Å; M312-F317 HydrophobicContact CE-CE1 3.58Å; M312-F317 HydrophobicContact CE-CZ 4.28Å; M312-F317 HydrophobicContact SD-CB 4.46Å; M312-F317 HydrophobicContact SD-CD1 3.51Å; M312-F317 VanDerWaalsContact SD-CD1 3.51Å; M312-F317 HydrophobicContact SD-CE1 3.94Å; M312-F317 HydrophobicContact SD-CG 4.12Å; M312-R320 HydrophobicContact CG-CG 3.89Å; M312-R320 HydrophobicContact SD-CB 4.22Å; M312-R320 WeakPolarHBondContact SD-CD 3.46Å; M312-R320 HydrophobicContact SD-CG 3.58Å; M312-R320 VanDerWaalsContact SD-CG 3.58Å; M312-R320 PolarHBondContact SD-NE 3.2Å
313E79.4Confident84.8Confident162 Ų16249.4 Ų49.476%0.75724%0.244SC*.SBendtrans-86.9134.3170.5-63-172.2173.100110L315 N316E313-L315 VanDerWaalsContact C-N 3.27Å; E313-L315 PolarHBondContact O-N 3.22Å; E313-L315 VanDerWaalsContact O-N 3.08Å; E313-N316 VanDerWaalsContact O-CB 3.31Å; E313-N316 WeakPolarHBondContact O-CB 3.25Å; E313-N316 PolarHBondContact O-N 3.4Å
314K80.3Confident85.2Confident209 Ų20944.8 Ų44.891%0.90923%0.227SC*.THydrogen-bonded Turntrans50.937.6169.4-57.4177.2-177.8172.20115.3N316K314-N316 PolarHBondContact O-N 3.14Å
315L81.3Confident85.8Confident57 Ų5742.1 Ų42.130%0.29821%0.212SC..THydrogen-bonded Turntrans61.625.1-177.3-59.7169.5000114.4R303 E313 F317R303-L315 HydrophobicContact CB-CD2 4.34Å; E313-L315 VanDerWaalsContact C-N 3.27Å; E313-L315 PolarHBondContact O-N 3.22Å; E313-L315 VanDerWaalsContact O-N 3.08Å; L315-F317 HydrophobicContact CB-CE2 4.27Å; L315-F317 HydrophobicContact CD2-CZ 4.41Å; L315-F317 WeakPolarHBondContact O-CD2 3.43Å; L315-F317 WeakPolarHBondContact O-CE2 3.36Å; L315-F317 PolarHBondContact O-N 3.26Å
316N86.4Confident86.3Confident94 Ų9440 Ų4050%0.50320%0.201SC..  trans-74.9108.9169.6-176.43.3000110.6M312 E313 K314 A318M312-N316 WeakPolarHBondContact CG-O 3.46Å; E313-N316 VanDerWaalsContact O-CB 3.31Å; E313-N316 WeakPolarHBondContact O-CB 3.25Å; E313-N316 PolarHBondContact O-N 3.4Å; K314-N316 PolarHBondContact O-N 3.14Å; N316-A318 VanDerWaalsContact OD1-CB 3.3Å; N316-A318 WeakPolarHBondContact OD1-CB 3.44Å; N316-A318 PolarHBondContact OD1-N 2.96Å; N316-A318 VanDerWaalsContact OD1-N 3.11Å
317F87Confident86.7Confident7 Ų740 Ų403%0.03120%0.201CC..  trans-85-6.9-177.8-68.5-82.4000114.6M220 Q299 L302 M312 L315 R320 A321M220-F317 HydrophobicContact CB-CB 3.76Å; M220-F317 HydrophobicContact CB-CD1 4.44Å; M220-F317 HydrophobicContact CB-CG 4.02Å; M220-F317 HydrophobicContact CE-CD1 4.49Å; M220-F317 HydrophobicContact CG-CB 4.04Å; M220-F317 HydrophobicContact CG-CD1 3.9Å; M220-F317 HydrophobicContact CG-CG 4Å; M220-F317 HydrophobicContact SD-CB 4.33Å; M220-F317 HydrophobicContact SD-CD1 4.33Å; Q299-F317 HydrophobicContact CB-CE2 4.08Å; Q299-F317 HydrophobicContact CB-CZ 3.87Å; Q299-F317 HydrophobicContact CG-CE2 3.89Å; Q299-F317 HydrophobicContact CG-CZ 4.05Å; L302-F317 HydrophobicContact CB-CE1 3.88Å; L302-F317 HydrophobicContact CB-CZ 4.37Å; M312-F317 HydrophobicContact CE-CD1 3.83Å; M312-F317 HydrophobicContact CE-CE1 3.58Å; M312-F317 HydrophobicContact CE-CZ 4.28Å; M312-F317 HydrophobicContact SD-CB 4.46Å; M312-F317 HydrophobicContact SD-CD1 3.51Å; M312-F317 VanDerWaalsContact SD-CD1 3.51Å; M312-F317 HydrophobicContact SD-CE1 3.94Å; M312-F317 HydrophobicContact SD-CG 4.12Å; L315-F317 HydrophobicContact CB-CE2 4.27Å; L315-F317 HydrophobicContact CD2-CZ 4.41Å; L315-F317 WeakPolarHBondContact O-CD2 3.43Å; L315-F317 WeakPolarHBondContact O-CE2 3.36Å; L315-F317 PolarHBondContact O-N 3.26Å; F317-R320 PolarHBondContact O-N 3.3Å; F317-A321 WeakPolarHBondContact O-CB 3.22Å; F317-A321 PolarHBondContact O-N 3.46Å
318A87.1Confident87.2Confident53 Ų5339.9 Ų39.944%0.43820%0.201SC..Hα-helixtrans-48.1-49.3-176.800000115N316 R320 A321 F322N316-A318 VanDerWaalsContact OD1-CB 3.3Å; N316-A318 WeakPolarHBondContact OD1-CB 3.44Å; N316-A318 PolarHBondContact OD1-N 2.96Å; N316-A318 VanDerWaalsContact OD1-N 3.11Å; A318-R320 VanDerWaalsContact C-N 3.35Å; A318-R320 PolarHBondContact O-N 2.77Å; A318-A321 PolarHBondContact O-N 2.78Å; A318-F322 WeakPolarHBondContact O-CB 3.06Å; A318-F322 PolarHBondContact O-N 2.92Å
319P87.4Confident87.6Confident35 Ų3539.5 Ų39.523%0.22720%0.198CC..Hα-helixtrans-67.1-33.2179.625.8-34.9000113.2V310 F323V310-P319 HydrophobicContact CG1-CB 4Å; V310-P319 HydrophobicContact CG1-CG 4.41Å; P319-F323 WeakPolarHBondContact O-CB 3.4Å; P319-F323 PolarHBondContact O-N 3.32Å
320R89.4Confident87.9Confident10 Ų1039.3 Ų39.34%0.03820%0.197CC..Hα-helixtrans-73.3-39176.1-70.3-160.8-174.21756.1112.1L302 R303 I306 I307 V310 M312 F317 A318 F323 L324L302-R320 PolarHBondContact O-NH1 3.01Å; R303-R320 VanDerWaalsContact C-NH1 3.34Å; R303-R320 VanDerWaalsContact CA-NH1 3.25Å; R303-R320 PolarHBondContact O-NH1 2.8Å; R303-R320 PolarHBondContact O-NH2 2.69Å; I306-R320 PolarHBondContact O-NH1 2.87Å; I307-R320 PolarHBondContact O-NE 2.8Å; I307-R320 VanDerWaalsContact O-NE 3.17Å; V310-R320 HydrophobicContact CB-CG 3.99Å; V310-R320 HydrophobicContact CG1-CG 3.86Å; V310-R320 PolarHBondContact O-NE 2.99Å; V310-R320 PolarHBondContact O-NH2 3.15Å; M312-R320 HydrophobicContact CG-CG 3.89Å; M312-R320 HydrophobicContact SD-CB 4.22Å; M312-R320 WeakPolarHBondContact SD-CD 3.46Å; M312-R320 HydrophobicContact SD-CG 3.58Å; M312-R320 VanDerWaalsContact SD-CG 3.58Å; M312-R320 PolarHBondContact SD-NE 3.2Å; F317-R320 PolarHBondContact O-N 3.3Å; A318-R320 VanDerWaalsContact C-N 3.35Å; A318-R320 PolarHBondContact O-N 2.77Å; R320-F323 PolarHBondContact O-N 3.04Å; R320-L324 WeakPolarHBondContact O-CB 3.41Å; R320-L324 WeakPolarHBondContact O-CG 3.25Å; R320-L324 PolarHBondContact O-N 2.86Å
321A90.6Very high88.1Confident0 Ų039.2 Ų39.20%020%0.196CC..Hα-helixtrans-61.7-47.1173.500000110.7F217 M220 I222 F317 A318 F323 L324 G325F217-A321 HydrophobicContact CD1-CB 4.01Å; F217-A321 HydrophobicContact CE1-CB 3.83Å; F217-A321 VanDerWaalsContact CE1-O 3.24Å; F217-A321 WeakPolarHBondContact CE1-O 3.43Å; M220-A321 HydrophobicContact SD-CB 4.34Å; I222-A321 HydrophobicContact CD1-CB 3.17Å; F317-A321 WeakPolarHBondContact O-CB 3.22Å; F317-A321 PolarHBondContact O-N 3.46Å; A318-A321 PolarHBondContact O-N 2.78Å; A321-F323 VanDerWaalsContact C-N 3.33Å; A321-F323 PolarHBondContact O-N 3.12Å; A321-L324 PolarHBondContact O-N 3.32Å; A321-G325 PolarHBondContact O-N 3.34Å
322F90.8Very high88.6Confident11 Ų1132.7 Ų32.75%0.04817%0.165CC..Hα-helixtrans-56.2-47.3173.3179.5-94.1000111.7L231 A318 L324 G325 Q326 L513 M516 V524 P531L231-F322 HydrophobicContact CD2-CD2 4.47Å; A318-F322 WeakPolarHBondContact O-CB 3.06Å; A318-F322 PolarHBondContact O-N 2.92Å; F322-L324 PolarHBondContact O-N 3.48Å; F322-G325 WeakPolarHBondContact O-CA 3.45Å; F322-G325 PolarHBondContact O-N 3.08Å; F322-G325 VanDerWaalsContact O-N 3.11Å; F322-Q326 HydrophobicContact CD1-CG 4.15Å; F322-Q326 HydrophobicContact CE1-CG 3.77Å; F322-Q326 HydrophobicContact CZ-CG 4.05Å; F322-Q326 WeakPolarHBondContact O-CG 3.32Å; F322-Q326 PolarHBondContact O-N 3.37Å; F322-L513 HydrophobicContact CD1-CD1 4.07Å; F322-L513 HydrophobicContact CD1-CD2 4.45Å; F322-L513 HydrophobicContact CE1-CD1 4.24Å; F322-L513 HydrophobicContact CE1-CD2 3.83Å; F322-L513 HydrophobicContact CE2-CD2 4.49Å; F322-L513 HydrophobicContact CZ-CD2 3.84Å; F322-M516 HydrophobicContact CE2-SD 4.09Å; F322-M516 HydrophobicContact CZ-SD 3.88Å; F322-V524 HydrophobicContact CE1-CG1 4.03Å; F322-V524 HydrophobicContact CE1-CG2 4.5Å; F322-V524 HydrophobicContact CZ-CG1 4.32Å; F322-V524 HydrophobicContact CZ-CG2 4.06Å; F322-P531 HydrophobicContact CD1-CB 4.18Å; F322-P531 HydrophobicContact CD1-CG 4.44Å; F322-P531 HydrophobicContact CE1-CB 4.24Å
323F91.8Very high89.1Confident2 Ų231.7 Ų31.71%0.00916%0.161CC..Hα-helixtrans-61.5-42.4178.6-167.9-90.9000112.9L166 V180 I307 H309 V310 P319 R320 A321 G325 Q326 M327 Y526 G529 P531L166-F323 HydrophobicContact CD1-CE2 4.39Å; L166-F323 HydrophobicContact CD1-CZ 4.23Å; L166-F323 HydrophobicContact CD2-CD1 4.45Å; L166-F323 HydrophobicContact CD2-CE1 3.46Å; L166-F323 VanDerWaalsContact CD2-CE1 3.46Å; L166-F323 HydrophobicContact CD2-CE2 4.32Å; L166-F323 HydrophobicContact CD2-CZ 3.39Å; L166-F323 HydrophobicContact CG-CE1 4.32Å; L166-F323 HydrophobicContact CG-CE2 4.33Å; L166-F323 HydrophobicContact CG-CZ 3.78Å; V180-F323 HydrophobicContact CG1-CE1 4.24Å; V180-F323 HydrophobicContact CG2-CE1 4.29Å; V180-F323 HydrophobicContact CG2-CZ 4.32Å; I307-F323 HydrophobicContact CD1-CD1 3.96Å; I307-F323 HydrophobicContact CD1-CE1 4.48Å; I307-F323 HydrophobicContact CG1-CD1 4.44Å; I307-F323 HydrophobicContact CG2-CD1 3.88Å; I307-F323 HydrophobicContact CG2-CE1 4.2Å; I307-F323 HydrophobicContact CG2-CG 4.48Å; H309-F323 AromaticContact CE1-CZ 3.97Å; H309-F323 AromaticContact NE2-CZ 3.71Å; V310-F323 HydrophobicContact CG2-CD2 4.34Å; V310-F323 HydrophobicContact CG2-CG 4.31Å; P319-F323 WeakPolarHBondContact O-CB 3.4Å; P319-F323 PolarHBondContact O-N 3.32Å; R320-F323 PolarHBondContact O-N 3.04Å; A321-F323 VanDerWaalsContact C-N 3.33Å; A321-F323 PolarHBondContact O-N 3.12Å; F323-G325 VanDerWaalsContact C-N 3.33Å; F323-Q326 PolarHBondContact O-N 3.43Å; F323-M327 HydrophobicContact CD1-CG 4.49Å; F323-M327 HydrophobicContact CD1-SD 4.39Å; F323-M327 HydrophobicContact CE1-CG 4.42Å; F323-M327 HydrophobicContact CE1-SD 4.23Å; F323-M327 WeakPolarHBondContact O-CG 3.49Å; F323-M327 PolarHBondContact O-N 3.37Å; F323-M327 VanDerWaalsContact O-N 3.13Å; F323-Y526 HydrophobicContact CD2-CE1 4.05Å; F323-Y526 AromaticContact CE2-CE1 3.97Å; F323-Y526 HydrophobicContact CE2-CE1 3.97Å; F323-G529 VanDerWaalsContact CE2-O 3.27Å; F323-G529 WeakPolarHBondContact CE2-O 3.39Å; F323-P531 HydrophobicContact CD2-CG 4.2Å
324L91.9Very high89.7Confident0 Ų024.4 Ų24.40%013%0.128CC..Hα-helixtrans-63.1-38.9172.4-78168.8000112I193 I213 L216 F217 M220 I307 R320 A321 F322 Q326 M327 V328I193-L324 HydrophobicContact CD1-CD2 4.19Å; I213-L324 HydrophobicContact CD1-CD2 4.31Å; L216-L324 HydrophobicContact CD2-CD1 3.81Å; F217-L324 HydrophobicContact CE1-CB 4.3Å; F217-L324 HydrophobicContact CZ-CB 3.86Å; M220-L324 HydrophobicContact CE-CD1 3.49Å; M220-L324 VanDerWaalsContact CE-CD1 3.49Å; M220-L324 HydrophobicContact SD-CD1 3.91Å; I307-L324 HydrophobicContact CD1-CD1 4.23Å; I307-L324 HydrophobicContact CD1-CD2 3.27Å; I307-L324 HydrophobicContact CD1-CG 3.47Å; I307-L324 VanDerWaalsContact CD1-CG 3.47Å; R320-L324 WeakPolarHBondContact O-CB 3.41Å; R320-L324 WeakPolarHBondContact O-CG 3.25Å; R320-L324 PolarHBondContact O-N 2.86Å; A321-L324 PolarHBondContact O-N 3.32Å; F322-L324 PolarHBondContact O-N 3.48Å; L324-Q326 VanDerWaalsContact C-N 3.34Å; L324-Q326 PolarHBondContact O-N 2.88Å; L324-M327 HydrophobicContact CD2-SD 4.27Å; L324-M327 WeakPolarHBondContact O-CB 3.33Å; L324-M327 PolarHBondContact O-N 2.86Å; L324-V328 PolarHBondContact O-N 3.2Å; L324-V328 VanDerWaalsContact O-N 3.17Å
325G92.2Very high90.1Very high0 Ų019 Ų190%011%0.109CC..Hα-helixtrans-60.8-43.3175.900000111.6A321 F322 F323 M327 V328 R329A321-G325 PolarHBondContact O-N 3.34Å; F322-G325 WeakPolarHBondContact O-CA 3.45Å; F322-G325 PolarHBondContact O-N 3.08Å; F322-G325 VanDerWaalsContact O-N 3.11Å; F323-G325 VanDerWaalsContact C-N 3.33Å; G325-M327 PolarHBondContact O-N 2.88Å; G325-V328 PolarHBondContact O-N 3.31Å; G325-R329 WeakPolarHBondContact O-CB 3Å; G325-R329 PolarHBondContact O-N 2.84Å
326Q91.2Very high90.4Very high2 Ų219 Ų191%0.00911%0.108CC..Hα-helixtrans-61.9-39.9174.1-66.6-63.7-17.100112.7F322 F323 L324 V328 R329 Y330 Y518F322-Q326 HydrophobicContact CD1-CG 4.15Å; F322-Q326 HydrophobicContact CE1-CG 3.77Å; F322-Q326 HydrophobicContact CZ-CG 4.05Å; F322-Q326 WeakPolarHBondContact O-CG 3.32Å; F322-Q326 PolarHBondContact O-N 3.37Å; F323-Q326 PolarHBondContact O-N 3.43Å; L324-Q326 VanDerWaalsContact C-N 3.34Å; L324-Q326 PolarHBondContact O-N 2.88Å; Q326-V328 VanDerWaalsContact C-N 3.32Å; Q326-V328 PolarHBondContact O-N 3.02Å; Q326-R329 PolarHBondContact O-N 3.25Å; Q326-Y330 HydrophobicContact CB-CE2 4.07Å; Q326-Y330 WeakPolarHBondContact O-CD2 3.35Å; Q326-Y330 VanDerWaalsContact O-CG 3.31Å; Q326-Y330 PolarHBondContact O-N 3.35Å; Q326-Y518 VanDerWaalsContact NE2-CE1 3.31Å; Q326-Y518 PolarHBondContact NE2-OH 3.43Å
327M93Very high90.4Very high0 Ų023.6 Ų23.60%012%0.123CC..Hα-helixtrans-59.9-43.4175.8-67.9-175.97000112.1L166 C178 V180 I193 I307 F323 L324 G325 L331L166-M327 HydrophobicContact CD1-CG 4.34Å; L166-M327 HydrophobicContact CD2-CE 4.3Å; L166-M327 HydrophobicContact CD2-CG 3.39Å; L166-M327 HydrophobicContact CD2-SD 3.94Å; L166-M327 HydrophobicContact CG-CG 4.48Å; C178-M327 HydrophobicContact CB-CE 4.34Å; C178-M327 WeakPolarHBondContact O-CE 3.44Å; V180-M327 HydrophobicContact CB-CE 4.41Å; V180-M327 HydrophobicContact CG1-CE 3.82Å; V180-M327 HydrophobicContact CG1-SD 3.83Å; I193-M327 HydrophobicContact CD1-CB 3.54Å; I193-M327 HydrophobicContact CD1-CE 3.97Å; I193-M327 HydrophobicContact CD1-CG 4.34Å; I193-M327 HydrophobicContact CD1-SD 3.98Å; I193-M327 HydrophobicContact CG1-CE 4.19Å; I307-M327 HydrophobicContact CD1-SD 4.4Å; F323-M327 HydrophobicContact CD1-CG 4.49Å; F323-M327 HydrophobicContact CD1-SD 4.39Å; F323-M327 HydrophobicContact CE1-CG 4.42Å; F323-M327 HydrophobicContact CE1-SD 4.23Å; F323-M327 WeakPolarHBondContact O-CG 3.49Å; F323-M327 PolarHBondContact O-N 3.37Å; F323-M327 VanDerWaalsContact O-N 3.13Å; L324-M327 HydrophobicContact CD2-SD 4.27Å; L324-M327 WeakPolarHBondContact O-CB 3.33Å; L324-M327 PolarHBondContact O-N 2.86Å; G325-M327 PolarHBondContact O-N 2.88Å; M327-L331 WeakPolarHBondContact O-CB 3.45Å; M327-L331 PolarHBondContact O-N 3.18Å
328V93.4Very high90.4Very high0 Ų030.3 Ų30.30%015%0.148CC..Hα-helixtrans-66.9-45.5176.5177.80000110.4I193 F200 I213 I232 F242 L324 G325 Q326 Y330 L331 I332I193-V328 HydrophobicContact CD1-CG2 4.06Å; I193-V328 HydrophobicContact CG2-CG2 4.39Å; F200-V328 HydrophobicContact CD1-CG1 4.3Å; F200-V328 HydrophobicContact CD2-CG1 3.94Å; F200-V328 HydrophobicContact CE1-CG1 4.47Å; F200-V328 HydrophobicContact CE2-CG1 4.14Å; F200-V328 HydrophobicContact CG-CG1 4.04Å; F200-V328 HydrophobicContact CZ-CG1 4.42Å; I213-V328 HydrophobicContact CG1-CG2 4.02Å; I213-V328 HydrophobicContact CG2-CG2 4.3Å; I232-V328 HydrophobicContact CD1-CG1 4.27Å; I232-V328 HydrophobicContact CG2-CB 4.36Å; I232-V328 HydrophobicContact CG2-CG1 4.17Å; F242-V328 HydrophobicContact CD2-CG1 3.76Å; F242-V328 HydrophobicContact CE2-CG1 3.94Å; L324-V328 PolarHBondContact O-N 3.2Å; L324-V328 VanDerWaalsContact O-N 3.17Å; G325-V328 PolarHBondContact O-N 3.31Å; Q326-V328 VanDerWaalsContact C-N 3.32Å; Q326-V328 PolarHBondContact O-N 3.02Å; V328-Y330 PolarHBondContact O-N 3.25Å; V328-L331 WeakPolarHBondContact O-CB 3.35Å; V328-L331 PolarHBondContact O-N 2.94Å; V328-I332 HydrophobicContact CG1-CD1 3.89Å; V328-I332 HydrophobicContact CG1-CG1 4.48Å; V328-I332 WeakPolarHBondContact O-CG1 3.19Å; V328-I332 PolarHBondContact O-N 3.04Å
329R92.5Very high90.5Very high5 Ų528 Ų282%0.01913%0.129CC..Hα-helixtrans-54.7-51.5177.6-177.2-174.8169.368.10.6111.4I232 E235 G325 Q326 L331 I332 L333I232-R329 HydrophobicContact CG2-CB 4.09Å; I232-R329 WeakPolarHBondContact O-CB 3.42Å; I232-R329 WeakPolarHBondContact O-CD 3.39Å; I232-R329 WeakPolarHBondContact O-CG 3.25Å; E235-R329 IonicContact OE1-CZ 3.31Å; E235-R329 VanDerWaalsContact OE1-CZ 3.31Å; E235-R329 IonicContact OE1-NH1 3.04Å; E235-R329 PolarHBondContact OE1-NH1 2.87Å; E235-R329 IonicContact OE1-NH2 2.68Å; E235-R329 PolarHBondContact OE1-NH2 3.33Å; G325-R329 WeakPolarHBondContact O-CB 3Å; G325-R329 PolarHBondContact O-N 2.84Å; Q326-R329 PolarHBondContact O-N 3.25Å; R329-L331 VanDerWaalsContact C-N 3.29Å; R329-L331 PolarHBondContact O-N 3.03Å; R329-I332 WeakPolarHBondContact O-CB 3.29Å; R329-I332 PolarHBondContact O-N 3.21Å; R329-L333 HydrophobicContact CG-CD1 3.94Å; R329-L333 HydrophobicContact CG-CG 4.4Å; R329-L333 WeakPolarHBondContact O-CG 3.09Å; R329-L333 PolarHBondContact O-N 3.43Å
330Y91.7Very high90.6Very high4 Ų430.3 Ų30.32%0.01614%0.144CC..Hα-helixtrans-67.6-31.4-178.2-57.3-42.9000112.7L166 Q326 V328 L333 A334 I339 Y566L166-Y330 HydrophobicContact CD1-CD2 3.84Å; L166-Y330 HydrophobicContact CD1-CE2 3.63Å; Q326-Y330 HydrophobicContact CB-CE2 4.07Å; Q326-Y330 WeakPolarHBondContact O-CD2 3.35Å; Q326-Y330 VanDerWaalsContact O-CG 3.31Å; Q326-Y330 PolarHBondContact O-N 3.35Å; V328-Y330 PolarHBondContact O-N 3.25Å; Y330-L333 HydrophobicContact CD1-CD1 4.41Å; Y330-L333 PolarHBondContact O-N 3.08Å; Y330-A334 WeakPolarHBondContact O-CB 3.49Å; Y330-A334 PolarHBondContact O-N 3.37Å; Y330-I339 HydrophobicContact CD1-CD1 3.97Å; Y330-Y566 AromaticContact CD1-CD1 3.57Å; Y330-Y566 HydrophobicContact CD1-CD1 3.57Å; Y330-Y566 HydrophobicContact CD1-CE1 4.12Å; Y330-Y566 AromaticContact CD2-CD1 3.89Å; Y330-Y566 HydrophobicContact CD2-CD1 3.89Å; Y330-Y566 HydrophobicContact CD2-CE1 4.1Å; Y330-Y566 AromaticContact CE1-CD1 3.6Å; Y330-Y566 HydrophobicContact CE1-CD1 3.6Å; Y330-Y566 HydrophobicContact CE1-CG 4.29Å; Y330-Y566 AromaticContact CE2-CD1 3.92Å; Y330-Y566 HydrophobicContact CE2-CD1 3.92Å; Y330-Y566 AromaticContact CG-CD1 3.74Å; Y330-Y566 HydrophobicContact CG-CD1 3.74Å; Y330-Y566 AromaticContact CG-CE1 3.89Å; Y330-Y566 HydrophobicContact CG-CE1 3.89Å; Y330-Y566 AromaticContact CZ-CD1 3.78Å
331L92Very high90.6Very high1 Ų133 Ų331%0.00516%0.163CC..Hα-helixtrans-64.9-41173.3-169.364.6000111.8L176 C178 I193 T195 F200 M327 V328 R329 A334 N335L176-L331 HydrophobicContact CB-CD1 3.61Å; C178-L331 HydrophobicContact CB-CB 4.48Å; C178-L331 HydrophobicContact CB-CD1 4.41Å; I193-L331 HydrophobicContact CG2-CD2 3.88Å; T195-L331 WeakPolarHBondContact OG1-CD2 3.41Å; F200-L331 HydrophobicContact CD1-CD2 3.85Å; F200-L331 HydrophobicContact CE1-CD2 3.85Å; F200-L331 HydrophobicContact CE1-CG 4.3Å; M327-L331 WeakPolarHBondContact O-CB 3.45Å; M327-L331 PolarHBondContact O-N 3.18Å; V328-L331 WeakPolarHBondContact O-CB 3.35Å; V328-L331 PolarHBondContact O-N 2.94Å; R329-L331 VanDerWaalsContact C-N 3.29Å; R329-L331 PolarHBondContact O-N 3.03Å; L331-A334 PolarHBondContact O-N 3.19Å; L331-N335 PolarHBondContact O-N 2.98Å
332I91.9Very high90.6Very high1 Ų134.1 Ų34.11%0.00517%0.169CC..Hα-helixtrans-62.6-50.9173.8-67.5164.9000110.5F200 I232 V238 N241 V328 R329 A334 N335 E336F200-I332 HydrophobicContact CE1-CG1 4.13Å; F200-I332 HydrophobicContact CE2-CD1 3.99Å; F200-I332 HydrophobicContact CE2-CG1 4Å; F200-I332 HydrophobicContact CZ-CD1 3.91Å; F200-I332 HydrophobicContact CZ-CG1 3.39Å; I232-I332 HydrophobicContact CG2-CD1 4.45Å; V238-I332 HydrophobicContact CG1-CD1 3.97Å; V238-I332 HydrophobicContact CG2-CG2 4.29Å; N241-I332 HydrophobicContact CB-CD1 4.19Å; N241-I332 HydrophobicContact CB-CG1 4.12Å; N241-I332 HydrophobicContact CB-CG2 4.04Å; N241-I332 WeakPolarHBondContact ND2-CG2 3.29Å; V328-I332 HydrophobicContact CG1-CD1 3.89Å; V328-I332 HydrophobicContact CG1-CG1 4.48Å; V328-I332 WeakPolarHBondContact O-CG1 3.19Å; V328-I332 PolarHBondContact O-N 3.04Å; R329-I332 WeakPolarHBondContact O-CB 3.29Å; R329-I332 PolarHBondContact O-N 3.21Å; I332-A334 VanDerWaalsContact C-N 3.26Å; I332-A334 PolarHBondContact O-N 2.97Å; I332-N335 WeakPolarHBondContact O-CB 3.26Å; I332-N335 PolarHBondContact O-N 3.39Å; I332-N335 VanDerWaalsContact O-N 3.07Å; I332-E336 PolarHBondContact O-N 3.19Å
333L91Very high90.5Very high13 Ų1337 Ų377%0.06819%0.185CC..Hα-helixtrans-63-31.8-179.8-67.8175.6000112.8R329 Y330 K337 R338 I339R329-L333 HydrophobicContact CG-CD1 3.94Å; R329-L333 HydrophobicContact CG-CG 4.4Å; R329-L333 WeakPolarHBondContact O-CG 3.09Å; R329-L333 PolarHBondContact O-N 3.43Å; Y330-L333 HydrophobicContact CD1-CD1 4.41Å; Y330-L333 PolarHBondContact O-N 3.08Å; L333-K337 PolarHBondContact O-N 3.12Å; L333-R338 PolarHBondContact O-N 3.28Å; L333-I339 HydrophobicContact CB-CD1 3.65Å; L333-I339 HydrophobicContact CB-CG1 3.94Å; L333-I339 HydrophobicContact CD1-CD1 3.73Å; L333-I339 HydrophobicContact CG-CD1 4.36Å; L333-I339 PolarHBondContact O-N 2.74Å
334A90.2Very high90.2Very high9 Ų942.9 Ų42.97%0.07421%0.207CC..Hα-helixtrans-70.8-39.1172.900000112I168 L176 Y330 L331 I332 E336 K337I168-A334 HydrophobicContact CD1-CB 4.32Å; I168-A334 HydrophobicContact CG2-CB 4.03Å; L176-A334 HydrophobicContact CD1-CB 4.27Å; Y330-A334 WeakPolarHBondContact O-CB 3.49Å; Y330-A334 PolarHBondContact O-N 3.37Å; L331-A334 PolarHBondContact O-N 3.19Å; I332-A334 VanDerWaalsContact C-N 3.26Å; I332-A334 PolarHBondContact O-N 2.97Å; A334-E336 VanDerWaalsContact C-N 3.29Å; A334-E336 PolarHBondContact O-N 3.48Å; A334-K337 WeakPolarHBondContact O-CA 3.36Å; A334-K337 PolarHBondContact O-N 2.92Å
335N89.1Confident90Very high95 Ų9544.2 Ų44.251%0.50821%0.214SC..Hα-helixtrans-63.4-36.8174.5-164.744000111.8L176 L331 I332 K337L176-N335 HydrophobicContact CD1-CB 4.14Å; L331-N335 PolarHBondContact O-N 2.98Å; I332-N335 WeakPolarHBondContact O-CB 3.26Å; I332-N335 PolarHBondContact O-N 3.39Å; I332-N335 VanDerWaalsContact O-N 3.07Å; N335-K337 PolarHBondContact O-N 3.14Å
336E88.7Confident90.1Very high58 Ų5845.5 Ų45.527%0.27122%0.219SC..THydrogen-bonded Turntrans-73.6-0.8172.1-66.8176.8-177.500113.8S237 N241 I332 A334 R338S237-E336 WeakPolarHBondContact CB-OE1 3.48Å; S237-E336 PolarHBondContact OG-OE1 2.64Å; S237-E336 PolarHBondContact OG-OE2 2.83Å; N241-E336 PolarHBondContact ND2-OE1 3.45Å; I332-E336 PolarHBondContact O-N 3.19Å; A334-E336 VanDerWaalsContact C-N 3.29Å; A334-E336 PolarHBondContact O-N 3.48Å; E336-R338 HydrophobicContact CB-CG 4.01Å; E336-R338 PolarHBondContact O-N 3.14Å; E336-R338 WeakPolarHBondContact OE2-CD 3.33Å; E336-R338 IonicContact OE2-NH1 3.76Å
337K85.9Confident90.1Very high190 Ų19045.7 Ų45.783%0.82622%0.22SC*.THydrogen-bonded Turntrans58.720.3-175.8-55.5179.4-179.8176.80114.8L333 A334 N335 I339L333-K337 PolarHBondContact O-N 3.12Å; A334-K337 WeakPolarHBondContact O-CA 3.36Å; A334-K337 PolarHBondContact O-N 2.92Å; N335-K337 PolarHBondContact O-N 3.14Å; K337-I339 VanDerWaalsContact C-N 3.33Å
338R86.9Confident90Very high147 Ų14745.7 Ų45.756%0.55522%0.221SC*.SBendtrans-77-27.3174.1-60.4177.991.8-171.56111.2E235 L333 E336E235-R338 IonicContact OE2-CZ 3.15Å; E235-R338 IonicContact OE2-NH1 2.71Å; E235-R338 PolarHBondContact OE2-NH1 3.28Å; L333-R338 PolarHBondContact O-N 3.28Å; E336-R338 HydrophobicContact CB-CG 4.01Å; E336-R338 PolarHBondContact O-N 3.14Å; E336-R338 WeakPolarHBondContact OE2-CD 3.33Å; E336-R338 IonicContact OE2-NH1 3.76Å
339I88.9Confident90Very high4 Ų446 Ų462%0.02122%0.222CC..SBendtrans-121129.1176.1-61.2-177.9000108.7Y330 L333 K337 A565 Y566Y330-I339 HydrophobicContact CD1-CD1 3.97Å; L333-I339 HydrophobicContact CB-CD1 3.65Å; L333-I339 HydrophobicContact CB-CG1 3.94Å; L333-I339 HydrophobicContact CD1-CD1 3.73Å; L333-I339 HydrophobicContact CG-CD1 4.36Å; L333-I339 PolarHBondContact O-N 2.74Å; K337-I339 VanDerWaalsContact C-N 3.33Å; I339-A565 WeakPolarHBondContact CG1-O 3.43Å; I339-Y566 HydrophobicContact CD1-CD1 4.12Å; I339-Y566 HydrophobicContact CD1-CE1 4.26Å; I339-Y566 HydrophobicContact CD1-CG 4.28Å; I339-Y566 HydrophobicContact CG2-CD2 4.01Å; I339-Y566 HydrophobicContact CG2-CE1 3.88Å; I339-Y566 HydrophobicContact CG2-CE2 3.26Å; I339-Y566 VanDerWaalsContact CG2-OH 3.31Å; I339-Y566 WeakPolarHBondContact CG2-OH 3.48Å
340P89.9Confident89.9Confident85 Ų8546.4 Ų46.455%0.55222%0.224SC*.PPolyproline II helixtrans-71.5148.8173.529.9-34000111.2
341P89.6Confident89.9Confident67 Ų6747.3 Ų47.344%0.43523%0.227SC..PPolyproline II helixtrans-58.7147.6170.926.8-33.9000110.3
342D89.7Confident90Very high23 Ų2347.5 Ų47.512%0.12323%0.228CC..PPolyproline II helixtrans-76.6132.6-179-72.3-46.6000110.6I167 I168 R344 K563 Y566I167-D342 HydrophobicContact CG2-CB 4.12Å; I168-D342 PolarHBondContact N-OD2 3.39Å; I168-D342 PolarHBondContact O-N 2.93Å; D342-R344 PolarHBondContact O-N 2.93Å; D342-K563 IonicContact OD1-NZ 2.64Å; D342-K563 PolarHBondContact OD1-NZ 3.02Å; D342-K563 IonicContact OD2-NZ 2.79Å; D342-Y566 PolarHBondContact OD1-OH 3.27Å; D342-Y566 PolarHBondContact OD2-OH 3.45Å
343D88.6Confident90Very high72 Ų7248.1 Ų48.139%0.38523%0.231SC..PPolyproline II helixtrans-73.7121.4171.3179.618.6000110.7D345 F346 N349 H462D343-D345 PolarHBondContact O-N 2.78Å; D343-D345 PolarHBondContact OD1-N 3.08Å; D343-F346 HydrophobicContact CB-CB 4.27Å; D343-F346 PolarHBondContact OD2-N 3.47Å; D343-N349 PolarHBondContact O-ND2 2.77Å; D343-H462 IonicContact OD2-CD2 3.43Å; D343-H462 IonicContact OD2-CE1 3.99Å; D343-H462 IonicContact OD2-NE2 2.88Å; D343-H462 PolarHBondContact OD2-NE2 3.1Å; D343-H462 VanDerWaalsContact OD2-NE2 3.14Å
344R85.4Confident90.1Very high125 Ų12547.8 Ų47.847%0.47223%0.229SC..SBendtrans-66.9-27.7175.2-71-177.7173.7160.55.5112.2E169 D342 K350E169-R344 VanDerWaalsContact CD-CZ 3.49Å; E169-R344 IonicContact OE1-CZ 3.4Å; E169-R344 IonicContact OE1-NE 3.54Å; E169-R344 PolarHBondContact OE1-NE 3.01Å; E169-R344 IonicContact OE1-NH2 2.79Å; E169-R344 PolarHBondContact OE1-NH2 2.63Å; E169-R344 IonicContact OE2-CZ 3.02Å; E169-R344 IonicContact OE2-NE 3.89Å; E169-R344 PolarHBondContact OE2-NE 3.27Å; E169-R344 IonicContact OE2-NH2 2.62Å; E169-R344 PolarHBondContact OE2-NH2 2.86Å; D342-R344 PolarHBondContact O-N 2.93Å; R344-K350 WeakPolarHBondContact O-CE 3.34Å
345D89.3Confident90.2Very high27 Ų2747.3 Ų47.314%0.14423%0.226CC..SBendtrans-83.8-16.7-174.8-76.7-40.7000114D343 Y347 K350 P458D343-D345 PolarHBondContact O-N 2.78Å; D343-D345 PolarHBondContact OD1-N 3.08Å; D345-Y347 PolarHBondContact O-N 3.11Å; D345-K350 PolarHBondContact O-NZ 2.97Å; D345-K350 IonicContact OD1-NZ 3.43Å; D345-K350 PolarHBondContact OD1-NZ 3Å; D345-P458 WeakPolarHBondContact OD1-CA 3.48Å; D345-P458 WeakPolarHBondContact OD1-CB 3.45Å
346F92.9Very high90.3Very high27 Ų2742.9 Ų42.912%0.11820%0.203CC..SBendtrans-56.2123.2170.5-177.9-114000112D343 G348 N349 H462 V621 N622 N625D343-F346 HydrophobicContact CB-CB 4.27Å; D343-F346 PolarHBondContact OD2-N 3.47Å; F346-G348 VanDerWaalsContact CE1-CA 3.49Å; F346-G348 PolarHBondContact O-N 3.27Å; F346-N349 WeakPolarHBondContact O-CB 3.24Å; F346-N349 PolarHBondContact O-N 3.02Å; F346-H462 AromaticContact CD2-CE1 3.96Å; F346-V621 HydrophobicContact CD2-CG1 4.42Å; F346-V621 HydrophobicContact CE1-CG1 4.32Å; F346-V621 HydrophobicContact CE2-CG1 3.61Å; F346-V621 HydrophobicContact CZ-CG1 3.53Å; F346-N622 WeakPolarHBondContact CE1-OD1 3.21Å; F346-N625 WeakPolarHBondContact CZ-ND2 3.31Å
347Y91.5Very high90.3Very high6 Ų642.1 Ų42.12%0.02420%0.204CC..G310 helixtrans-68-19.8-173.5-90.9-97.9000114.4E159 D345 N349 K350 M445 S464 Q465 I469 K484 F578E159-Y347 PolarHBondContact OE2-OH 2.8Å; D345-Y347 PolarHBondContact O-N 3.11Å; Y347-N349 PolarHBondContact O-N 3.43Å; Y347-K350 HydrophobicContact CD1-CB 4.4Å; Y347-K350 HydrophobicContact CD1-CD 4.38Å; Y347-K350 HydrophobicContact CD2-CD 4.34Å; Y347-K350 HydrophobicContact CE1-CD 4.29Å; Y347-K350 HydrophobicContact CE2-CD 4.27Å; Y347-K350 HydrophobicContact CG-CD 4.41Å; Y347-K350 PolarHBondContact O-N 3.35Å; Y347-K350 VanDerWaalsContact O-O 3.12Å; Y347-M445 HydrophobicContact CE1-CE 4.09Å; Y347-S464 PolarHBondContact N-OG 3.36Å; Y347-Q465 HydrophobicContact CD2-CG 3.55Å; Y347-Q465 HydrophobicContact CE2-CG 3.35Å; Y347-Q465 VanDerWaalsContact CE2-NE2 3.34Å; Y347-Q465 HydrophobicContact CG-CG 4.42Å; Y347-I469 HydrophobicContact CD1-CD1 4.04Å; Y347-I469 HydrophobicContact CE1-CD1 3.21Å; Y347-I469 HydrophobicContact CE2-CD1 4.04Å; Y347-I469 WeakPolarHBondContact OH-CD1 3.32Å; Y347-K484 VanDerWaalsContact OH-CE 3.29Å; Y347-K484 WeakPolarHBondContact OH-CE 3.05Å; Y347-K484 PolarHBondContact OH-NZ 3.42Å; Y347-F578 AromaticContact CD1-CD2 3.82Å; Y347-F578 HydrophobicContact CD1-CD2 3.82Å; Y347-F578 AromaticContact CD1-CE2 3.87Å; Y347-F578 HydrophobicContact CD1-CE2 3.87Å; Y347-F578 HydrophobicContact CE1-CD2 4.27Å; Y347-F578 AromaticContact CE1-CE2 3.84Å; Y347-F578 HydrophobicContact CE1-CE2 3.84Å
348G91.5Very high90.5Very high1 Ų133.1 Ų33.11%0.0117%0.165CC..G310 helixtrans-65.5-23.8170.800000113.3R165 F346 R351 N622R165-G348 PolarHBondContact NH1-O 2.79Å; F346-G348 VanDerWaalsContact CE1-CA 3.49Å; F346-G348 PolarHBondContact O-N 3.27Å; G348-R351 PolarHBondContact O-NH1 3.23Å; G348-N622 WeakPolarHBondContact CA-OD1 3.47Å
349N91.8Very high90.8Very high7 Ų726.2 Ų26.24%0.03714%0.139CC..G310 helixtrans-90.8-2.4173.6-65.8-23.5000112.7S162 R165 D343 F346 Y347S162-N349 VanDerWaalsContact CB-O 3.24Å; S162-N349 WeakPolarHBondContact CB-O 3.38Å; S162-N349 PolarHBondContact N-O 2.81Å; R165-N349 PolarHBondContact NE-OD1 2.97Å; R165-N349 PolarHBondContact NH1-OD1 2.82Å; R165-N349 VanDerWaalsContact NH1-OD1 3.1Å; D343-N349 PolarHBondContact O-ND2 2.77Å; F346-N349 WeakPolarHBondContact O-CB 3.24Å; F346-N349 PolarHBondContact O-N 3.02Å; Y347-N349 PolarHBondContact O-N 3.43Å
350K91.9Very high90.9Very high12 Ų1226.4 Ų26.45%0.05214%0.141CC..EExtended strand (participates in β ladder)trans-106155.4177.2-65.5174169.9-176.40110.6E159 Q160 R344 D345 Y347E159-K350 HydrophobicContact CG-CB 4.37Å; E159-K350 HydrophobicContact CG-CD 4Å; E159-K350 HydrophobicContact CG-CG 4.45Å; E159-K350 WeakPolarHBondContact OE1-CD 3.48Å; E159-K350 WeakPolarHBondContact OE1-CE 3.38Å; E159-K350 IonicContact OE1-NZ 3.85Å; E159-K350 PolarHBondContact OE1-NZ 2.83Å; Q160-K350 CarbonylContact O-C 3.6Å; Q160-K350 WeakPolarHBondContact O-CA 3.45Å; R344-K350 WeakPolarHBondContact O-CE 3.34Å; D345-K350 PolarHBondContact O-NZ 2.97Å; D345-K350 IonicContact OD1-NZ 3.43Å; D345-K350 PolarHBondContact OD1-NZ 3Å; Y347-K350 HydrophobicContact CD1-CB 4.4Å; Y347-K350 HydrophobicContact CD1-CD 4.38Å; Y347-K350 HydrophobicContact CD2-CD 4.34Å; Y347-K350 HydrophobicContact CE1-CD 4.29Å; Y347-K350 HydrophobicContact CE2-CD 4.27Å; Y347-K350 HydrophobicContact CG-CD 4.41Å; Y347-K350 PolarHBondContact O-N 3.35Å; Y347-K350 VanDerWaalsContact O-O 3.12Å
351R92.2Very high90.9Very high23 Ų2323.4 Ų23.49%0.08712%0.12CC..EExtended strand (participates in β ladder)trans-136.3147.9174.4-68.1-64.9-177.3-84.90.5109.2Q160 G348 D574 G576 R577Q160-R351 PolarHBondContact N-O 3.14Å; Q160-R351 PolarHBondContact O-N 3.24Å; G348-R351 PolarHBondContact O-NH1 3.23Å; R351-D574 IonicContact CZ-OD1 3.25Å; R351-D574 IonicContact CZ-OD2 3.37Å; R351-D574 IonicContact NE-OD1 3.65Å; R351-D574 PolarHBondContact NE-OD1 2.91Å; R351-D574 IonicContact NE-OD2 3.57Å; R351-D574 PolarHBondContact NE-OD2 3Å; R351-D574 IonicContact NH2-OD1 3.69Å; R351-D574 PolarHBondContact NH2-OD1 3.15Å; R351-D574 IonicContact NH2-OD2 3.98Å; R351-D574 PolarHBondContact NH2-OD2 3.28Å; R351-G576 CarbonylContact C-O 3.45Å; R351-G576 WeakPolarHBondContact CA-O 3.32Å; R351-R577 VanDerWaalsContact CZ-CG 3.49Å
352I93.6Very high91Very high5 Ų520.7 Ų20.73%0.02610%0.102CC..EExtended strand (participates in β ladder)trans-104.8117.2178.5-54.3-56.5000109M157 Q158 E159 L354 M445 V492 G576 F578M157-I352 HydrophobicContact CB-CG2 3.74Å; M157-I352 HydrophobicContact CG-CG2 4.3Å; M157-I352 HydrophobicContact SD-CG2 4.33Å; Q158-I352 WeakPolarHBondContact O-CA 3.18Å; E159-I352 HydrophobicContact CB-CD1 4.14Å; E159-I352 HydrophobicContact CG-CD1 4.26Å; I352-L354 HydrophobicContact CG2-CD2 4.04Å; I352-M445 HydrophobicContact CD1-CE 3.91Å; I352-V492 HydrophobicContact CB-CG1 4.38Å; I352-G576 PolarHBondContact N-O 2.82Å; I352-G576 VanDerWaalsContact O-CA 3.31Å; I352-G576 WeakPolarHBondContact O-CA 3.34Å; I352-F578 HydrophobicContact CD1-CD2 4.49Å; I352-F578 HydrophobicContact CD1-CE2 3.6Å; I352-F578 HydrophobicContact CD1-CZ 3.71Å; I352-F578 HydrophobicContact CG1-CD1 4.36Å; I352-F578 HydrophobicContact CG1-CD2 4.07Å; I352-F578 HydrophobicContact CG1-CE1 3.81Å; I352-F578 HydrophobicContact CG1-CE2 3.47Å; I352-F578 VanDerWaalsContact CG1-CE2 3.47Å; I352-F578 HydrophobicContact CG1-CG 4.49Å; I352-F578 HydrophobicContact CG1-CZ 3.35Å
353E91.6Very high91.1Very high14 Ų1419.6 Ų19.67%0.06510%0.096CC..EExtended strand (participates in β ladder)trans-82.3116.5166.5-78.1-173.4-176.300109.3Q158 Q160 K163 S357 L358 R423Q158-E353 HydrophobicContact CB-CB 4.33Å; Q158-E353 PolarHBondContact N-O 2.8Å; Q158-E353 PolarHBondContact O-N 3.06Å; Q160-E353 HydrophobicContact CG-CG 4.14Å; Q160-E353 PolarHBondContact NE2-OE1 3.37Å; Q160-E353 PolarHBondContact NE2-OE2 3.05Å; Q160-E353 PolarHBondContact OE1-OE1 3.09Å; Q160-E353 VanDerWaalsContact OE1-OE1 3.1Å; K163-E353 IonicContact NZ-OE1 2.74Å; K163-E353 PolarHBondContact NZ-OE1 3.14Å; E353-S357 WeakPolarHBondContact CA-OG 3.48Å; E353-L358 HydrophobicContact CB-CD2 4.25Å; E353-L358 HydrophobicContact CB-CG 4.27Å; E353-L358 WeakPolarHBondContact OE2-CD2 3.4Å; E353-R423 IonicContact OE2-CZ 3.35Å; E353-R423 IonicContact OE2-NH1 2.93Å; E353-R423 PolarHBondContact OE2-NH1 3.09Å
354L92.7Very high91.2Very high6 Ų617.1 Ų17.13%0.0318%0.082CC..  trans-87.2172.7175.2-62.3176.4000111.2S24 M157 I352 G356 S357 L358 V492S24-L354 VanDerWaalsContact OG-CB 3.31Å; S24-L354 WeakPolarHBondContact OG-CB 3.24Å; M157-L354 HydrophobicContact CG-CD2 3.65Å; M157-L354 HydrophobicContact SD-CD2 3.62Å; I352-L354 HydrophobicContact CG2-CD2 4.04Å; L354-G356 VanDerWaalsContact C-N 3.33Å; L354-G356 PolarHBondContact O-N 3.39Å; L354-S357 PolarHBondContact N-OG 2.83Å; L354-S357 PolarHBondContact O-N 3.48Å; L354-S357 PolarHBondContact O-OG 2.87Å; L354-L358 PolarHBondContact O-N 3.12Å; L354-L358 VanDerWaalsContact O-N 3.12Å; L354-V492 HydrophobicContact CD1-CB 3.96Å; L354-V492 HydrophobicContact CD1-CG1 3.65Å; L354-V492 HydrophobicContact CD2-CB 4.45Å; L354-V492 HydrophobicContact CD2-CG1 4.21Å; L354-V492 HydrophobicContact CD2-CG2 4.42Å; L354-V492 HydrophobicContact CG-CG1 3.98Å
355A92.3Very high91.4Very high0 Ų012.1 Ų12.10%07%0.065CC..Hα-helixtrans-55.2-42.6-178.100000113.7M116 V155 L358 L359M116-A355 HydrophobicContact CE-CB 3.81Å; V155-A355 HydrophobicContact CB-CB 3.86Å; V155-A355 HydrophobicContact CG1-CB 4.02Å; V155-A355 HydrophobicContact CG2-CB 4.36Å; A355-L358 PolarHBondContact O-N 3.1Å; A355-L359 WeakPolarHBondContact O-CB 3.27Å; A355-L359 VanDerWaalsContact O-CG 3.32Å; A355-L359 WeakPolarHBondContact O-CG 3.05Å; A355-L359 PolarHBondContact O-N 2.91Å
356G91.8Very high91.5Very high2 Ų210.9 Ų10.92%0.0216%0.058CC..Hα-helixtrans-64.4-43.917900000112.5S24 L354 L358 L359 A360S24-G356 WeakPolarHBondContact OG-CA 3.47Å; S24-G356 PolarHBondContact OG-N 3.21Å; S24-G356 VanDerWaalsContact OG-N 3.13Å; L354-G356 VanDerWaalsContact C-N 3.33Å; L354-G356 PolarHBondContact O-N 3.39Å; G356-L358 PolarHBondContact O-N 3.1Å; G356-L359 PolarHBondContact O-N 2.88Å; G356-A360 WeakPolarHBondContact O-CB 3.2Å; G356-A360 PolarHBondContact O-N 3.33Å
357S88.9Confident91.5Very high42 Ų429.6 Ų9.629%0.2945%0.052SC..Hα-helixtrans-64.3-37.9178.266.50000113.1E353 L354 A360 L361E353-S357 WeakPolarHBondContact CA-OG 3.48Å; L354-S357 PolarHBondContact N-OG 2.83Å; L354-S357 PolarHBondContact O-N 3.48Å; L354-S357 PolarHBondContact O-OG 2.87Å; S357-A360 PolarHBondContact O-N 2.96Å; S357-L361 WeakPolarHBondContact O-CG 3.39Å; S357-L361 PolarHBondContact O-N 3.48Å
358L90.4Very high91.4Very high1 Ų110.8 Ų10.81%0.0056%0.058CC..Hα-helixtrans-67.9-43.7175.5-69.7168.4000111.2V155 Q158 E353 L354 A355 G356 A360 L361 L362 W414 V426V155-L358 HydrophobicContact CG1-CD1 3.77Å; Q158-L358 HydrophobicContact CG-CD1 4.01Å; E353-L358 HydrophobicContact CB-CD2 4.25Å; E353-L358 HydrophobicContact CB-CG 4.27Å; E353-L358 WeakPolarHBondContact OE2-CD2 3.4Å; L354-L358 PolarHBondContact O-N 3.12Å; L354-L358 VanDerWaalsContact O-N 3.12Å; A355-L358 PolarHBondContact O-N 3.1Å; G356-L358 PolarHBondContact O-N 3.1Å; L358-A360 VanDerWaalsContact C-N 3.31Å; L358-A360 PolarHBondContact O-N 2.93Å; L358-L361 PolarHBondContact O-N 3.09Å; L358-L362 PolarHBondContact O-N 2.65Å; L358-L362 VanDerWaalsContact O-N 3.07Å; L358-W414 HydrophobicContact CB-CH2 4.19Å; L358-W414 HydrophobicContact CB-CZ3 4.04Å; L358-W414 VanDerWaalsContact O-CZ3 3.28Å; L358-W414 WeakPolarHBondContact O-CZ3 3.44Å; L358-V426 HydrophobicContact CD1-CG1 3.85Å
359L92.7Very high91.4Very high2 Ų212.7 Ų12.71%0.017%0.069CC..Hα-helixtrans-64.6-34.8176.7-75.8167.5000112.4F25 F28 F146 A355 G356 L362 F363 I409 W414F25-L359 HydrophobicContact CD2-CD1 3.73Å; F25-L359 HydrophobicContact CE2-CD1 3.74Å; F28-L359 HydrophobicContact CD1-CB 4.19Å; F28-L359 HydrophobicContact CE1-CB 4Å; F28-L359 HydrophobicContact CZ-CB 4.32Å; F146-L359 HydrophobicContact CE1-CD1 4.27Å; F146-L359 HydrophobicContact CE2-CD1 4.25Å; F146-L359 HydrophobicContact CZ-CD1 3.55Å; A355-L359 WeakPolarHBondContact O-CB 3.27Å; A355-L359 VanDerWaalsContact O-CG 3.32Å; A355-L359 WeakPolarHBondContact O-CG 3.05Å; A355-L359 PolarHBondContact O-N 2.91Å; G356-L359 PolarHBondContact O-N 2.88Å; L359-L362 PolarHBondContact O-N 2.9Å; L359-F363 VanDerWaalsContact O-CB 3.25Å; L359-F363 WeakPolarHBondContact O-CB 3.4Å; L359-F363 PolarHBondContact O-N 3.42Å; L359-I409 HydrophobicContact CD2-CD1 3.96Å; L359-I409 HydrophobicContact CD2-CG1 4.37Å; L359-W414 HydrophobicContact CD2-CH2 3.65Å; L359-W414 HydrophobicContact CD2-CZ3 4.33Å; L359-W414 HydrophobicContact CG-CH2 3.99Å
360A91.3Very high91.4Very high8 Ų812.5 Ų12.57%0.0667%0.068CC..Hα-helixtrans-58.8-49.5173.100000111.4F28 E32 I36 G356 S357 L358 L362 F363 E364F28-A360 HydrophobicContact CD2-CB 3.68Å; F28-A360 VanDerWaalsContact CE2-CA 3.48Å; F28-A360 HydrophobicContact CE2-CB 3.97Å; E32-A360 HydrophobicContact CB-CB 4.47Å; I36-A360 HydrophobicContact CD1-CB 4.23Å; I36-A360 WeakPolarHBondContact CD1-O 3.43Å; G356-A360 WeakPolarHBondContact O-CB 3.2Å; G356-A360 PolarHBondContact O-N 3.33Å; S357-A360 PolarHBondContact O-N 2.96Å; L358-A360 VanDerWaalsContact C-N 3.31Å; L358-A360 PolarHBondContact O-N 2.93Å; A360-L362 VanDerWaalsContact C-N 3.34Å; A360-L362 PolarHBondContact O-N 3.1Å; A360-F363 PolarHBondContact O-N 3.41Å; A360-E364 WeakPolarHBondContact O-CB 3.36Å; A360-E364 PolarHBondContact O-N 3.33Å
361L88.9Confident91.3Very high21 Ų2112.7 Ų12.711%0.117%0.069CC..Hα-helixtrans-62.4-40.1177.8-64.4177.6000112.8S357 L358 D365 I416 F419S357-L361 WeakPolarHBondContact O-CG 3.39Å; S357-L361 PolarHBondContact O-N 3.48Å; L358-L361 PolarHBondContact O-N 3.09Å; L361-D365 PolarHBondContact O-N 3.11Å; L361-I416 HydrophobicContact CB-CD1 4.24Å; L361-F419 HydrophobicContact CB-CE2 4.47Å; L361-F419 HydrophobicContact CD2-CE2 4.28Å
362L91.3Very high91.1Very high10 Ų1015.7 Ų15.75%0.0529%0.085CC..Hα-helixtrans-68.2-46.7177.3179.865.5000111.3L358 L359 A360 E364 D365 V366 L405 A408 W414 I416L358-L362 PolarHBondContact O-N 2.65Å; L358-L362 VanDerWaalsContact O-N 3.07Å; L359-L362 PolarHBondContact O-N 2.9Å; A360-L362 VanDerWaalsContact C-N 3.34Å; A360-L362 PolarHBondContact O-N 3.1Å; L362-E364 VanDerWaalsContact C-N 3.32Å; L362-E364 PolarHBondContact O-N 3.15Å; L362-D365 PolarHBondContact O-N 3.43Å; L362-V366 HydrophobicContact CD1-CG2 4.05Å; L362-V366 HydrophobicContact CG-CG2 4.17Å; L362-V366 WeakPolarHBondContact O-CB 3.4Å; L362-V366 WeakPolarHBondContact O-CG2 3.45Å; L362-V366 PolarHBondContact O-N 3.01Å; L362-L405 HydrophobicContact CD2-CD2 3.62Å; L362-L405 HydrophobicContact CG-CD2 3.88Å; L362-A408 HydrophobicContact CD1-CB 4.34Å; L362-A408 HydrophobicContact CD2-CB 3.51Å; L362-W414 HydrophobicContact CB-CE3 3.8Å; L362-W414 HydrophobicContact CB-CZ3 3.44Å; L362-W414 VanDerWaalsContact CB-CZ3 3.44Å; L362-W414 HydrophobicContact CD1-CE3 4.44Å; L362-W414 HydrophobicContact CD2-CE3 3.81Å; L362-W414 HydrophobicContact CD2-CH2 3.91Å; L362-W414 HydrophobicContact CD2-CZ3 3.43Å; L362-W414 VanDerWaalsContact CD2-CZ3 3.43Å; L362-W414 HydrophobicContact CG-CE3 4.23Å; L362-W414 HydrophobicContact CG-CZ3 4.01Å; L362-I416 HydrophobicContact CB-CD1 4.27Å; L362-I416 HydrophobicContact CD1-CD1 4.32Å; L362-I416 HydrophobicContact CD1-CG1 4.32Å
363F93.1Very high90.9Very high0 Ų017.3 Ų17.30%09%0.093CC..Hα-helixtrans-61.2-41.9178.8-178.8-100.3000111.3F28 I33 I36 I57 I90 M113 L359 A360 D365 V366 F367 I401F28-F363 HydrophobicContact CE2-CB 4.23Å; F28-F363 HydrophobicContact CZ-CB 3.96Å; F28-F363 HydrophobicContact CZ-CG 4.26Å; I33-F363 HydrophobicContact CD1-CD1 4.46Å; I33-F363 HydrophobicContact CD1-CE1 4.01Å; I33-F363 HydrophobicContact CD1-CE2 4.29Å; I33-F363 HydrophobicContact CD1-CZ 3.91Å; I33-F363 HydrophobicContact CG1-CD1 3.84Å; I33-F363 HydrophobicContact CG1-CE1 3.42Å; I33-F363 VanDerWaalsContact CG1-CE1 3.42Å; I33-F363 HydrophobicContact CG1-CZ 3.83Å; I36-F363 HydrophobicContact CD1-CD1 4.07Å; I36-F363 HydrophobicContact CG2-CD1 4.03Å; I36-F363 HydrophobicContact CG2-CE1 4.14Å; I57-F363 HydrophobicContact CD1-CZ 3.98Å; I90-F363 HydrophobicContact CD1-CE2 4.18Å; M113-F363 HydrophobicContact CE-CD2 3.78Å; M113-F363 HydrophobicContact CE-CE2 4.23Å; M113-F363 HydrophobicContact CE-CG 4.43Å; L359-F363 VanDerWaalsContact O-CB 3.25Å; L359-F363 WeakPolarHBondContact O-CB 3.4Å; L359-F363 PolarHBondContact O-N 3.42Å; A360-F363 PolarHBondContact O-N 3.41Å; F363-D365 VanDerWaalsContact C-N 3.34Å; F363-D365 PolarHBondContact O-N 2.87Å; F363-V366 PolarHBondContact O-N 2.88Å; F363-F367 HydrophobicContact CE1-CB 4.31Å; F363-F367 HydrophobicContact CE1-CG 4.45Å; F363-F367 HydrophobicContact CZ-CB 4.46Å; F363-F367 HydrophobicContact CZ-CD2 4.21Å; F363-F367 WeakPolarHBondContact O-CB 3.45Å; F363-F367 PolarHBondContact O-N 3.16Å; F363-I401 HydrophobicContact CE2-CG2 4.5Å
364E90.2Very high90.6Very high21 Ų2117.1 Ų17.110%0.0989%0.093CC..Hα-helixtrans-58.4-45.2175.8-168.8-165.9155.900112I36 A360 L362 K368 F419I36-E364 HydrophobicContact CD1-CB 4.12Å; I36-E364 HydrophobicContact CG1-CB 4.3Å; I36-E364 HydrophobicContact CG1-CG 4.43Å; I36-E364 HydrophobicContact CG2-CB 4.07Å; I36-E364 HydrophobicContact CG2-CG 4.02Å; A360-E364 WeakPolarHBondContact O-CB 3.36Å; A360-E364 PolarHBondContact O-N 3.33Å; L362-E364 VanDerWaalsContact C-N 3.32Å; L362-E364 PolarHBondContact O-N 3.15Å; E364-K368 HydrophobicContact CG-CD 4.34Å; E364-K368 WeakPolarHBondContact O-CB 3.47Å; E364-K368 WeakPolarHBondContact O-CG 3.4Å; E364-K368 PolarHBondContact O-N 2.96Å; E364-K368 WeakPolarHBondContact OE1-CE 3.35Å; E364-K368 IonicContact OE1-NZ 3.1Å; E364-K368 PolarHBondContact OE1-NZ 3.48Å; E364-F419 WeakPolarHBondContact OE2-CZ 3.18Å
365D89.4Confident90.3Very high20 Ų2020.5 Ų20.511%0.10711%0.105CC..Hα-helixtrans-65.8-46.9179.7-169.355.5000112L361 L362 F363 K368 T369 I416 R418L361-D365 PolarHBondContact O-N 3.11Å; L362-D365 PolarHBondContact O-N 3.43Å; F363-D365 VanDerWaalsContact C-N 3.34Å; F363-D365 PolarHBondContact O-N 2.87Å; D365-K368 PolarHBondContact O-N 3.44Å; D365-T369 WeakPolarHBondContact O-CB 3.22Å; D365-T369 PolarHBondContact O-N 2.8Å; D365-T369 PolarHBondContact O-OG1 2.94Å; D365-I416 HydrophobicContact CB-CG2 3.69Å; D365-I416 VanDerWaalsContact CG-CG2 3.42Å; D365-I416 WeakPolarHBondContact OD2-CG2 3.42Å; D365-R418 PolarHBondContact O-NH1 3.07Å; D365-R418 VanDerWaalsContact OD1-CB 3.22Å; D365-R418 WeakPolarHBondContact OD1-CB 3.45Å; D365-R418 IonicContact OD1-CZ 3.91Å; D365-R418 IonicContact OD1-NH1 3.66Å; D365-R418 PolarHBondContact OD1-NH1 3.02Å
366V91.8Very high90Very high0 Ų024 Ų240%012%0.123CC..Hα-helixtrans-61.1-45.2178.3173.90000110.3L362 F363 T369 F370 I401 Q404L362-V366 HydrophobicContact CD1-CG2 4.05Å; L362-V366 HydrophobicContact CG-CG2 4.17Å; L362-V366 WeakPolarHBondContact O-CB 3.4Å; L362-V366 WeakPolarHBondContact O-CG2 3.45Å; L362-V366 PolarHBondContact O-N 3.01Å; F363-V366 PolarHBondContact O-N 2.88Å; V366-T369 PolarHBondContact O-N 3.22Å; V366-F370 WeakPolarHBondContact O-CB 3.49Å; V366-F370 PolarHBondContact O-N 3.43Å; V366-I401 HydrophobicContact CG1-CB 4Å; V366-I401 HydrophobicContact CG1-CG1 3.9Å; V366-I401 HydrophobicContact CG1-CG2 3.93Å; V366-Q404 HydrophobicContact CG1-CB 4.4Å; V366-Q404 HydrophobicContact CG2-CB 3.99Å; V366-Q404 VanDerWaalsContact CG2-OE1 3.31Å
367F92.1Very high89.6Confident0 Ų025.4 Ų25.40%013%0.132CC..Hα-helixtrans-65.6-43.9-179.4-173.1-108.3000112.1I36 V37 N40 Y54 I110 F363 T369 F370 N371I36-F367 HydrophobicContact CG2-CD1 4.47Å; V37-F367 HydrophobicContact CG2-CE1 4.27Å; V37-F367 HydrophobicContact CG2-CE2 4.47Å; V37-F367 HydrophobicContact CG2-CZ 4.09Å; N40-F367 HydrophobicContact CB-CD1 4.31Å; N40-F367 HydrophobicContact CB-CE1 4.02Å; Y54-F367 HydrophobicContact CD2-CE1 4.41Å; Y54-F367 AromaticContact CD2-CZ 3.84Å; Y54-F367 HydrophobicContact CD2-CZ 3.84Å; Y54-F367 HydrophobicContact CE1-CZ 4.34Å; Y54-F367 HydrophobicContact CE2-CE1 4.28Å; Y54-F367 AromaticContact CE2-CZ 3.66Å; Y54-F367 HydrophobicContact CE2-CZ 3.66Å; Y54-F367 HydrophobicContact CG-CZ 4.29Å; Y54-F367 AromaticContact CZ-CZ 3.93Å; I110-F367 HydrophobicContact CD1-CD2 4.47Å; I110-F367 HydrophobicContact CD1-CE2 4.2Å; F363-F367 HydrophobicContact CE1-CB 4.31Å; F363-F367 HydrophobicContact CE1-CG 4.45Å; F363-F367 HydrophobicContact CZ-CB 4.46Å; F363-F367 HydrophobicContact CZ-CD2 4.21Å; F363-F367 WeakPolarHBondContact O-CB 3.45Å; F363-F367 PolarHBondContact O-N 3.16Å; F367-T369 VanDerWaalsContact C-N 3.35Å; F367-T369 PolarHBondContact O-N 3.11Å; F367-F370 WeakPolarHBondContact O-CB 3.48Å; F367-F370 PolarHBondContact O-N 2.84Å; F367-N371 WeakPolarHBondContact CE1-ND2 3.48Å; F367-N371 PolarHBondContact O-N 3.47Å
368K90.4Very high89.2Confident32 Ų3223.7 Ų23.714%0.13912%0.119CC..Hα-helixtrans-64.2-39.2174.2-75.2174.2174.2172.80112.1N40 E364 D365 F370 N371 E372 R418N40-K368 WeakPolarHBondContact OD1-CE 3.43Å; E364-K368 HydrophobicContact CG-CD 4.34Å; E364-K368 WeakPolarHBondContact O-CB 3.47Å; E364-K368 WeakPolarHBondContact O-CG 3.4Å; E364-K368 PolarHBondContact O-N 2.96Å; E364-K368 WeakPolarHBondContact OE1-CE 3.35Å; E364-K368 IonicContact OE1-NZ 3.1Å; E364-K368 PolarHBondContact OE1-NZ 3.48Å; D365-K368 PolarHBondContact O-N 3.44Å; K368-F370 VanDerWaalsContact C-N 3.33Å; K368-N371 PolarHBondContact O-N 3.5Å; K368-E372 WeakPolarHBondContact O-CG 3.36Å; K368-E372 PolarHBondContact O-N 3.41Å; K368-R418 VanDerWaalsContact CB-CZ 3.44Å; K368-R418 VanDerWaalsContact CB-NH2 3.33Å
369T90.5Very high88.7Confident40 Ų4025.4 Ų25.425%0.24513%0.131CC..Hα-helixtrans-67-36.8176.3-47.50000111.3D365 V366 F367 E372 D373 M400D365-T369 WeakPolarHBondContact O-CB 3.22Å; D365-T369 PolarHBondContact O-N 2.8Å; D365-T369 PolarHBondContact O-OG1 2.94Å; V366-T369 PolarHBondContact O-N 3.22Å; F367-T369 VanDerWaalsContact C-N 3.35Å; F367-T369 PolarHBondContact O-N 3.11Å; T369-E372 PolarHBondContact O-N 3.04Å; T369-D373 PolarHBondContact O-N 3.32Å; T369-M400 HydrophobicContact CG2-CE 3.38Å
370F91.8Very high88Confident3 Ų333.5 Ų33.51%0.01317%0.166CC..Hα-helixtrans-61.1-43.5171.4170-96.7000111.6I110 V366 F367 K368 E372 D373 L374 I396 I401I110-F370 HydrophobicContact CG2-CZ 4.46Å; V366-F370 WeakPolarHBondContact O-CB 3.49Å; V366-F370 PolarHBondContact O-N 3.43Å; F367-F370 WeakPolarHBondContact O-CB 3.48Å; F367-F370 PolarHBondContact O-N 2.84Å; K368-F370 VanDerWaalsContact C-N 3.33Å; F370-E372 PolarHBondContact O-N 3.19Å; F370-D373 PolarHBondContact O-N 3.2Å; F370-L374 HydrophobicContact CZ-CD1 4.48Å; F370-L374 WeakPolarHBondContact O-CB 3.45Å; F370-L374 PolarHBondContact O-N 3.3Å; F370-I396 HydrophobicContact CE2-CG2 3.93Å; F370-I396 HydrophobicContact CZ-CB 4.4Å; F370-I396 HydrophobicContact CZ-CG1 4.08Å; F370-I396 HydrophobicContact CZ-CG2 3.81Å; F370-I401 HydrophobicContact CB-CD1 4.47Å; F370-I401 HydrophobicContact CB-CG1 4.42Å; F370-I401 HydrophobicContact CD2-CD1 4.35Å; F370-I401 HydrophobicContact CD2-CG1 4.33Å; F370-I401 HydrophobicContact CG-CD1 4.21Å; F370-I401 HydrophobicContact CG-CG1 4.43Å
371N90.7Very high87.1Confident16 Ų1635.5 Ų35.59%0.08618%0.176CC..Hα-helixtrans-64.8-37.9175.3-69.2-11.1000112.6V43 Y54 F367 K368 L374 W375V43-N371 HydrophobicContact CG2-CB 3.94Å; Y54-N371 PolarHBondContact OH-OD1 3Å; F367-N371 WeakPolarHBondContact CE1-ND2 3.48Å; F367-N371 PolarHBondContact O-N 3.47Å; K368-N371 PolarHBondContact O-N 3.5Å; N371-L374 PolarHBondContact O-N 3.24Å; N371-W375 WeakPolarHBondContact O-CB 3.39Å; N371-W375 PolarHBondContact O-N 2.87Å
372E88Confident85.7Confident87 Ų8738.8 Ų38.841%0.40719%0.193SC..Hα-helixtrans-64.1-43.6174.3-73.7169.9-169.100112K368 T369 F370 W375 L376 R418K368-E372 WeakPolarHBondContact O-CG 3.36Å; K368-E372 PolarHBondContact O-N 3.41Å; T369-E372 PolarHBondContact O-N 3.04Å; F370-E372 PolarHBondContact O-N 3.19Å; E372-W375 PolarHBondContact O-N 3.41Å; E372-L376 WeakPolarHBondContact O-CB 3.44Å; E372-L376 WeakPolarHBondContact O-CG 3.42Å; E372-L376 PolarHBondContact O-N 3.27Å; E372-R418 IonicContact OE1-CZ 2.8Å; E372-R418 IonicContact OE1-NH2 2.77Å; E372-R418 PolarHBondContact OE1-NH2 2.99Å; E372-R418 IonicContact OE2-NH2 3.84Å
373D88.7Confident84.1Confident38 Ų3842.2 Ų42.220%0.20322%0.215CC..Hα-helixtrans-66.6-37.8176-176.770.1000112T369 F370 L376 T377 K397 M400T369-D373 PolarHBondContact O-N 3.32Å; F370-D373 PolarHBondContact O-N 3.2Å; D373-L376 PolarHBondContact O-N 3.03Å; D373-T377 WeakPolarHBondContact O-CB 3.47Å; D373-T377 PolarHBondContact O-N 3.02Å; D373-T377 PolarHBondContact O-OG1 3.4Å; D373-K397 VanDerWaalsContact CG-NZ 3.29Å; D373-K397 IonicContact OD1-NZ 3.69Å; D373-K397 PolarHBondContact OD1-NZ 3.19Å; D373-K397 WeakPolarHBondContact OD2-CD 3.16Å; D373-K397 WeakPolarHBondContact OD2-CE 3.33Å; D373-K397 IonicContact OD2-NZ 3.69Å; D373-K397 PolarHBondContact OD2-NZ 3.05Å; D373-M400 HydrophobicContact CB-CE 4.49Å; D373-M400 HydrophobicContact CB-SD 4.3Å
374L86.5Confident82.3Confident11 Ų1150.8 Ų50.86%0.05825%0.252CS..Hα-helixtrans-63.6-45.9173.9-176.1142.2000110.9V43 W50 L52 F370 N371 L376 T377 V378 I396V43-L374 HydrophobicContact CG1-CD2 3.99Å; W50-L374 HydrophobicContact CH2-CD2 3.74Å; W50-L374 HydrophobicContact CZ3-CD2 3.85Å; L52-L374 HydrophobicContact CD1-CD1 4.44Å; F370-L374 HydrophobicContact CZ-CD1 4.48Å; F370-L374 WeakPolarHBondContact O-CB 3.45Å; F370-L374 PolarHBondContact O-N 3.3Å; N371-L374 PolarHBondContact O-N 3.24Å; L374-L376 PolarHBondContact O-N 2.86Å; L374-T377 PolarHBondContact O-N 3.28Å; L374-V378 HydrophobicContact CD2-CG2 4.5Å; L374-V378 WeakPolarHBondContact O-CG2 3.37Å; L374-V378 PolarHBondContact O-N 3.12Å; L374-I396 HydrophobicContact CD1-CG1 4.36Å
375W86.3Confident80.6Confident77 Ų7760.6 Ų60.629%0.29229%0.288SS..Hα-helixtrans-58.9-45.6174.8179.893.1000111.9V43 S44 V45 F277 N371 E372 T377 V378 S379V43-W375 HydrophobicContact CG1-CB 4.22Å; S44-W375 PolarHBondContact O-NE1 2.96Å; V45-W375 HydrophobicContact CG2-CG 4.2Å; F277-W375 HydrophobicContact CD1-CH2 4.42Å; F277-W375 HydrophobicContact CD1-CZ3 4.47Å; F277-W375 HydrophobicContact CE1-CE3 4.29Å; F277-W375 HydrophobicContact CE1-CH2 4.26Å; F277-W375 AromaticContact CE1-CZ3 3.92Å; F277-W375 HydrophobicContact CE1-CZ3 3.92Å; N371-W375 WeakPolarHBondContact O-CB 3.39Å; N371-W375 PolarHBondContact O-N 2.87Å; E372-W375 PolarHBondContact O-N 3.41Å; W375-T377 PolarHBondContact O-N 3.4Å; W375-V378 PolarHBondContact O-N 3.46Å; W375-S379 WeakPolarHBondContact O-CB 3.33Å; W375-S379 PolarHBondContact O-N 3.42Å; W375-S379 PolarHBondContact O-OG 3.36Å
376L86Confident78.9Confident73 Ų7364.8 Ų64.838%0.38230%0.303SS..Hα-helixtrans-63.1-41.7177-77.8169.1000112.3E372 D373 L374 S379 K380E372-L376 WeakPolarHBondContact O-CB 3.44Å; E372-L376 WeakPolarHBondContact O-CG 3.42Å; E372-L376 PolarHBondContact O-N 3.27Å; D373-L376 PolarHBondContact O-N 3.03Å; L374-L376 PolarHBondContact O-N 2.86Å; L376-S379 PolarHBondContact O-N 3.28Å; L376-K380 WeakPolarHBondContact O-CB 3.41Å; L376-K380 WeakPolarHBondContact O-CG 3.21Å; L376-K380 PolarHBondContact O-N 3.38Å
377T83.3Confident76.9Confident32 Ų3271 Ų7120%0.19634%0.344CS..Hα-helixtrans-64.4-45.5179.3-60.10000110.5D373 L374 W375 K380 I381 H395D373-T377 WeakPolarHBondContact O-CB 3.47Å; D373-T377 PolarHBondContact O-N 3.02Å; D373-T377 PolarHBondContact O-OG1 3.4Å; L374-T377 PolarHBondContact O-N 3.28Å; W375-T377 PolarHBondContact O-N 3.4Å; T377-K380 PolarHBondContact O-N 3.18Å; T377-I381 HydrophobicContact CG2-CD1 4.33Å; T377-I381 WeakPolarHBondContact O-CD1 3.44Å; T377-I381 VanDerWaalsContact O-CG1 3.25Å; T377-I381 WeakPolarHBondContact O-CG1 3.43Å; T377-I381 PolarHBondContact O-N 3.33Å; T377-H395 HydrophobicContact CG2-CB 4.45Å
378V80.2Confident75.4Confident5 Ų575.8 Ų75.83%0.0337%0.374CS..Hα-helixtrans-65.7-41.2177.5175.70000111.6V45 W50 L374 W375 K380 I381 F390V45-V378 HydrophobicContact CB-CG1 4.27Å; V45-V378 HydrophobicContact CG2-CB 4.1Å; V45-V378 HydrophobicContact CG2-CG1 3.84Å; W50-V378 HydrophobicContact CB-CG1 4.44Å; W50-V378 HydrophobicContact CD2-CG1 4.02Å; W50-V378 HydrophobicContact CE3-CB 4.47Å; W50-V378 HydrophobicContact CE3-CG1 3.86Å; W50-V378 HydrophobicContact CE3-CG2 4.2Å; W50-V378 HydrophobicContact CG-CG1 4.28Å; W50-V378 HydrophobicContact CH2-CG2 4.23Å; W50-V378 HydrophobicContact CZ3-CG1 4.49Å; W50-V378 HydrophobicContact CZ3-CG2 4.05Å; L374-V378 HydrophobicContact CD2-CG2 4.5Å; L374-V378 WeakPolarHBondContact O-CG2 3.37Å; L374-V378 PolarHBondContact O-N 3.12Å; W375-V378 PolarHBondContact O-N 3.46Å; V378-K380 VanDerWaalsContact C-N 3.32Å; V378-K380 PolarHBondContact O-N 3.28Å; V378-I381 PolarHBondContact O-N 2.88Å; V378-F390 HydrophobicContact CG2-CE2 4.38Å; V378-F390 HydrophobicContact CG2-CZ 3.81Å
379S79.5Confident74Confident38 Ų3877.1 Ų77.127%0.26639%0.386SS..Hα-helixtrans-67.1-31.3-179.5-54.90000112.9V45 W375 L376V45-S379 WeakPolarHBondContact CG1-OG 3.37Å; W375-S379 WeakPolarHBondContact O-CB 3.33Å; W375-S379 PolarHBondContact O-N 3.42Å; W375-S379 PolarHBondContact O-OG 3.36Å; L376-S379 PolarHBondContact O-N 3.28Å
380K78.9Confident72.9Confident171 Ų17176.6 Ų76.674%0.74338%0.38SS*.Hα-helixtrans-77.7-18.1176.1-74.8177.8-178.4179.90113.9L376 T377 V378 D382L376-K380 WeakPolarHBondContact O-CB 3.41Å; L376-K380 WeakPolarHBondContact O-CG 3.21Å; L376-K380 PolarHBondContact O-N 3.38Å; T377-K380 PolarHBondContact O-N 3.18Å; V378-K380 VanDerWaalsContact C-N 3.32Å; V378-K380 PolarHBondContact O-N 3.28Å; K380-D382 PolarHBondContact O-N 3.27Å
381I71.5Confident71.8Confident51 Ų5178.6 Ų78.626%0.26239%0.391SS..SBendtrans-7498.8179.9-69.9163.3000107.9T377 V378 T383 F390T377-I381 HydrophobicContact CG2-CD1 4.33Å; T377-I381 WeakPolarHBondContact O-CD1 3.44Å; T377-I381 VanDerWaalsContact O-CG1 3.25Å; T377-I381 WeakPolarHBondContact O-CG1 3.43Å; T377-I381 PolarHBondContact O-N 3.33Å; V378-I381 PolarHBondContact O-N 2.88Å; I381-T383 PolarHBondContact O-N 3.44Å; I381-F390 HydrophobicContact CD1-CD2 4.43Å; I381-F390 HydrophobicContact CD1-CE2 3.86Å
382D58.6Low70.9Confident89 Ų8978.1 Ų78.148%0.47639%0.388SS..  trans-53.5124.1178-166.3-0.3000110.2K380 K384K380-D382 PolarHBondContact O-N 3.27Å; D382-K384 PolarHBondContact O-N 2.92Å; D382-K384 PolarHBondContact OD1-N 3.25Å
383T59.7Low70.1Confident83 Ų8376.5 Ų76.551%0.50939%0.387SS..G310 helixtrans-59.3-19.7179.339.50000112I381I381-T383 PolarHBondContact O-N 3.44Å
384K54.4Low69.5Low180 Ų18084.4 Ų84.478%0.78341%0.414SS*.G310 helixtrans-78.9-11.3-173.6-65.5-178177.7-179.80116.7D382D382-K384 PolarHBondContact O-N 2.92Å; D382-K384 PolarHBondContact OD1-N 3.25Å
385R53.7Low69Low226 Ų22687.2 Ų87.285%0.85343%0.427SS*.G310 helixtrans-106.711.9-174.3-80.6-172.4175.6-175.9-0.4116.4C387R385-C387 PolarHBondContact O-N 3.22Å; R385-C387 VanDerWaalsContact O-N 3.15Å
386R54.6Low68.8Low109 Ų10984.4 Ų84.441%0.41142%0.417SS..  trans-82.689.5-166.7-69-177.9-178.9178.31.2114.8
387C49.6Very low68.8Low130 Ų13084.4 Ų84.488%0.87841%0.414SS*.SBendtrans-96.2-13157.9-78.20000113.5R385R385-C387 PolarHBondContact O-N 3.22Å; R385-C387 VanDerWaalsContact O-N 3.15Å
388T60.8Low69Low100 Ų10085.3 Ų85.361%0.61342%0.419SS*.SBendtrans-112.7141.6-179.751.70000111.9F390T388-F390 PolarHBondContact O-N 3.46Å
389P61.5Low69.4Low61 Ų6192.2 Ų92.240%0.39645%0.445SS..  trans-64.5133.9177.224.9-32.3000110.9R98 D391R98-P389 VanDerWaalsContact CZ-CB 3.49Å; P389-D391 PolarHBondContact O-N 3.26Å
390F65.9Low70Confident28 Ų2891.4 Ų91.412%0.12344%0.437CS..  trans-66.9112175-178.7-98.2000109.7W50 V378 I381 T388 I392 H395W50-F390 AromaticContact CE2-CE1 3.68Å; W50-F390 AromaticContact CZ2-CE1 3.71Å; W50-F390 HydrophobicContact CZ2-CE1 3.71Å; W50-F390 HydrophobicContact CZ2-CZ 4.31Å; W50-F390 AromaticContact NE1-CD1 3.74Å; W50-F390 AromaticContact NE1-CE1 3.49Å; V378-F390 HydrophobicContact CG2-CE2 4.38Å; V378-F390 HydrophobicContact CG2-CZ 3.81Å; I381-F390 HydrophobicContact CD1-CD2 4.43Å; I381-F390 HydrophobicContact CD1-CE2 3.86Å; T388-F390 PolarHBondContact O-N 3.46Å; F390-I392 HydrophobicContact CD1-CG1 4.36Å; F390-I392 HydrophobicContact CE1-CG1 3.66Å; F390-I392 HydrophobicContact CZ-CG1 4.43Å; F390-H395 AromaticContact CD2-CD2 3.86Å; F390-H395 AromaticContact CD2-NE2 3.83Å; F390-H395 AromaticContact CE2-CD2 3.33Å; F390-H395 WeakPolarHBondContact CE2-CD2 3.46Å; F390-H395 AromaticContact CE2-NE2 3.63Å; F390-H395 AromaticContact CZ-CD2 3.91Å
391D69.3Low70.7Confident46 Ų4683.3 Ų83.325%0.24640%0.402CS..  trans-110.5117.1170.4-174.3-2.1000109K105 P389 S393 R394 H395K105-D391 IonicContact NZ-OD1 2.63Å; K105-D391 PolarHBondContact NZ-OD1 2.98Å; K105-D391 IonicContact NZ-OD2 3.86Å; P389-D391 PolarHBondContact O-N 3.26Å; D391-S393 PolarHBondContact O-N 3.38Å; D391-S393 VanDerWaalsContact O-N 3.14Å; D391-S393 WeakPolarHBondContact OD1-CB 3.28Å; D391-S393 PolarHBondContact OD1-N 3.04Å; D391-S393 PolarHBondContact OD1-OG 3.35Å; D391-S393 VanDerWaalsContact OD1-OG 3.06Å; D391-S393 PolarHBondContact OD2-OG 2.97Å; D391-R394 PolarHBondContact O-N 3.42Å; D391-H395 PolarHBondContact O-CD2 3.31Å
392I72.6Confident71.7Confident5 Ų582 Ų823%0.02640%0.397CS..G310 helixtrans-53.5-34.7177.9-69.6162.7000111.5W50 L52 F96 F390 R394 H395 I396W50-I392 HydrophobicContact CZ2-CD1 4.01Å; W50-I392 HydrophobicContact CZ2-CG1 3.97Å; L52-I392 HydrophobicContact CD1-CD1 3.61Å; L52-I392 HydrophobicContact CD1-CG1 4.32Å; L52-I392 HydrophobicContact CD1-CG2 4.2Å; L52-I392 HydrophobicContact CG-CD1 4.41Å; F96-I392 HydrophobicContact CB-CD1 3.41Å; F96-I392 VanDerWaalsContact CB-CD1 3.41Å; F96-I392 HydrophobicContact CD1-CD1 3.28Å; F96-I392 HydrophobicContact CD2-CD1 3.33Å; F96-I392 HydrophobicContact CD2-CG1 3.98Å; F96-I392 HydrophobicContact CE1-CD1 3.72Å; F96-I392 HydrophobicContact CE2-CD1 3.76Å; F96-I392 HydrophobicContact CE2-CG1 4.11Å; F96-I392 HydrophobicContact CG-CD1 3.05Å; F96-I392 HydrophobicContact CG-CG1 4.18Å; F96-I392 HydrophobicContact CZ-CD1 3.94Å; F96-I392 HydrophobicContact CZ-CG1 4.44Å; F390-I392 HydrophobicContact CD1-CG1 4.36Å; F390-I392 HydrophobicContact CE1-CG1 3.66Å; F390-I392 HydrophobicContact CZ-CG1 4.43Å; I392-R394 PolarHBondContact O-N 3.41Å; I392-R394 VanDerWaalsContact O-N 3.09Å; I392-H395 PolarHBondContact O-N 3.31Å; I392-I396 HydrophobicContact CG2-CD1 3.36Å; I392-I396 HydrophobicContact CG2-CG1 3.63Å; I392-I396 PolarHBondContact O-N 3.08Å; I392-I396 VanDerWaalsContact O-N 3.08Å
393S70.7Confident73.3Confident54 Ų5482.5 Ų82.538%0.37840%0.396SS..G310 helixtrans-59.2-27.5-17571.60000113.3D391D391-S393 PolarHBondContact O-N 3.38Å; D391-S393 VanDerWaalsContact O-N 3.14Å; D391-S393 WeakPolarHBondContact OD1-CB 3.28Å; D391-S393 PolarHBondContact OD1-N 3.04Å; D391-S393 PolarHBondContact OD1-OG 3.35Å; D391-S393 VanDerWaalsContact OD1-OG 3.06Å; D391-S393 PolarHBondContact OD2-OG 2.97Å
394R75.2Confident74.8Confident204 Ų20481.9 Ų81.977%0.7739%0.387SS*.G310 helixtrans-80.3-21.9177.4-64.3-176.4178.1-171.4-2113.4D391 I392D391-R394 PolarHBondContact O-N 3.42Å; I392-R394 PolarHBondContact O-N 3.41Å; I392-R394 VanDerWaalsContact O-N 3.09Å
395H76.9Confident76.7Confident70 Ų7073.3 Ų73.332%0.32435%0.35SS..THydrogen-bonded Turntrans-101-14.3-175.3-65.3-70000113.2T377 F390 D391 I392 K397T377-H395 HydrophobicContact CG2-CB 4.45Å; F390-H395 AromaticContact CD2-CD2 3.86Å; F390-H395 AromaticContact CD2-NE2 3.83Å; F390-H395 AromaticContact CE2-CD2 3.33Å; F390-H395 WeakPolarHBondContact CE2-CD2 3.46Å; F390-H395 AromaticContact CE2-NE2 3.63Å; F390-H395 AromaticContact CZ-CD2 3.91Å; D391-H395 PolarHBondContact O-CD2 3.31Å; I392-H395 PolarHBondContact O-N 3.31Å; H395-K397 PolarHBondContact O-N 2.73Å
396I81.7Confident78.6Confident18 Ų1863.9 Ų63.99%0.09232%0.317CS..  trans-72.4115.1175.1-73178.2000110.3V108 F370 L374 I392 T398V108-I396 HydrophobicContact CG1-CD1 3.49Å; V108-I396 VanDerWaalsContact CG1-CD1 3.49Å; F370-I396 HydrophobicContact CE2-CG2 3.93Å; F370-I396 HydrophobicContact CZ-CB 4.4Å; F370-I396 HydrophobicContact CZ-CG1 4.08Å; F370-I396 HydrophobicContact CZ-CG2 3.81Å; L374-I396 HydrophobicContact CD1-CG1 4.36Å; I392-I396 HydrophobicContact CG2-CD1 3.36Å; I392-I396 HydrophobicContact CG2-CG1 3.63Å; I392-I396 PolarHBondContact O-N 3.08Å; I392-I396 VanDerWaalsContact O-N 3.08Å; I396-T398 HydrophobicContact CG2-CG2 3.89Å; I396-T398 PolarHBondContact O-N 2.74Å
397K86.1Confident80.5Confident72 Ų7267.2 Ų67.231%0.31333%0.329SS..  trans-8583.9173.6-64.4179.4-164.9150.80110.9D373 H395 W399 M400D373-K397 VanDerWaalsContact CG-NZ 3.29Å; D373-K397 IonicContact OD1-NZ 3.69Å; D373-K397 PolarHBondContact OD1-NZ 3.19Å; D373-K397 WeakPolarHBondContact OD2-CD 3.16Å; D373-K397 WeakPolarHBondContact OD2-CE 3.33Å; D373-K397 IonicContact OD2-NZ 3.69Å; D373-K397 PolarHBondContact OD2-NZ 3.05Å; H395-K397 PolarHBondContact O-N 2.73Å; K397-W399 HydrophobicContact CD-CZ2 4.34Å; K397-W399 PolarHBondContact O-N 3.33Å; K397-M400 WeakPolarHBondContact O-CB 3.31Å; K397-M400 PolarHBondContact O-N 3.35Å
398T86.8Confident82.6Confident51 Ų5161.4 Ų61.431%0.31329%0.29SS..Hα-helixtrans-59.2-28.5-177.656.10000114.7L109 I110 I396 M400 T402L109-T398 HydrophobicContact CD2-CG2 4.29Å; L109-T398 HydrophobicContact CG-CG2 4.12Å; L109-T398 VanDerWaalsContact O-CG2 3.3Å; L109-T398 WeakPolarHBondContact O-CG2 3.45Å; I110-T398 WeakPolarHBondContact O-CA 3.33Å; I396-T398 HydrophobicContact CG2-CG2 3.89Å; I396-T398 PolarHBondContact O-N 2.74Å; T398-M400 VanDerWaalsContact C-N 3.28Å; T398-M400 PolarHBondContact O-N 2.83Å; T398-T402 PolarHBondContact O-OG1 3.17Å; T398-T402 VanDerWaalsContact O-OG1 3.06Å
399W90.1Very high84.1Confident151 Ų15156.6 Ų56.657%0.57226%0.261SS*.Hα-helixtrans-67.1-27.4-179.665.2-94.3000112.7K397 I401 T402 E403K397-W399 HydrophobicContact CD-CZ2 4.34Å; K397-W399 PolarHBondContact O-N 3.33Å; W399-I401 PolarHBondContact O-N 3Å; W399-T402 PolarHBondContact O-N 3.14Å; W399-E403 VanDerWaalsContact CE3-OE2 3.24Å; W399-E403 WeakPolarHBondContact CZ3-OE2 3.41Å; W399-E403 VanDerWaalsContact O-CB 3.28Å; W399-E403 WeakPolarHBondContact O-CB 3.41Å; W399-E403 PolarHBondContact O-N 3.43Å
400M91.5Very high85.7Confident21 Ų2156.2 Ų56.210%0.10326%0.26CS..Hα-helixtrans-62-45.9-175-175.7175.3177.600112.3T369 D373 K397 T398 Q404T369-M400 HydrophobicContact CG2-CE 3.38Å; D373-M400 HydrophobicContact CB-CE 4.49Å; D373-M400 HydrophobicContact CB-SD 4.3Å; K397-M400 WeakPolarHBondContact O-CB 3.31Å; K397-M400 PolarHBondContact O-N 3.35Å; T398-M400 VanDerWaalsContact C-N 3.28Å; T398-M400 PolarHBondContact O-N 2.83Å; M400-Q404 WeakPolarHBondContact O-CB 3.37Å; M400-Q404 WeakPolarHBondContact O-CG 3.25Å; M400-Q404 PolarHBondContact O-N 3.23Å
401I92.8Very high87Confident0 Ų057.5 Ų57.50%027%0.272CS..Hα-helixtrans-68.3-46.8177.4-56.9-171.7000110.2I90 I110 F363 V366 F370 W399 Q404 L405I90-I401 HydrophobicContact CD1-CG2 4.17Å; I110-I401 HydrophobicContact CB-CD1 4.26Å; I110-I401 HydrophobicContact CD1-CD1 3.97Å; I110-I401 HydrophobicContact CG1-CD1 4.24Å; F363-I401 HydrophobicContact CE2-CG2 4.5Å; V366-I401 HydrophobicContact CG1-CB 4Å; V366-I401 HydrophobicContact CG1-CG1 3.9Å; V366-I401 HydrophobicContact CG1-CG2 3.93Å; F370-I401 HydrophobicContact CB-CD1 4.47Å; F370-I401 HydrophobicContact CB-CG1 4.42Å; F370-I401 HydrophobicContact CD2-CD1 4.35Å; F370-I401 HydrophobicContact CD2-CG1 4.33Å; F370-I401 HydrophobicContact CG-CD1 4.21Å; F370-I401 HydrophobicContact CG-CG1 4.43Å; W399-I401 PolarHBondContact O-N 3Å; I401-Q404 PolarHBondContact O-N 3.02Å; I401-L405 HydrophobicContact CG2-CD1 3.85Å; I401-L405 HydrophobicContact CG2-CG 4.42Å; I401-L405 VanDerWaalsContact O-CG 3.31Å; I401-L405 WeakPolarHBondContact O-CG 3.42Å; I401-L405 PolarHBondContact O-N 2.9Å; I401-L405 VanDerWaalsContact O-N 3.1Å
402T93Very high88Confident24 Ų2455.3 Ų55.315%0.14726%0.261CS..Hα-helixtrans-62-48.1-175.3-51.70000112R112 T398 W399 N406R112-T402 HydrophobicContact CB-CG2 3.96Å; R112-T402 PolarHBondContact N-OG1 2.86Å; T398-T402 PolarHBondContact O-OG1 3.17Å; T398-T402 VanDerWaalsContact O-OG1 3.06Å; W399-T402 PolarHBondContact O-N 3.14Å; T402-N406 VanDerWaalsContact O-CB 3.29Å; T402-N406 WeakPolarHBondContact O-CB 3.31Å; T402-N406 PolarHBondContact O-N 3.1Å; T402-N406 PolarHBondContact O-ND2 3.31Å
403E92.2Very high88.8Confident99 Ų9958.1 Ų58.146%0.46328%0.276SS..Hα-helixtrans-68.4-41.7-177.9-168.7-172.9161.400111.6W399 N406 R407W399-E403 VanDerWaalsContact CE3-OE2 3.24Å; W399-E403 WeakPolarHBondContact CZ3-OE2 3.41Å; W399-E403 VanDerWaalsContact O-CB 3.28Å; W399-E403 WeakPolarHBondContact O-CB 3.41Å; W399-E403 PolarHBondContact O-N 3.43Å; E403-N406 PolarHBondContact O-N 3.24Å; E403-R407 WeakPolarHBondContact O-CB 3.47Å; E403-R407 PolarHBondContact O-N 3.29Å
404Q92Very high89.6Confident70 Ų7055.6 Ų55.633%0.32726%0.258SS..Hα-helixtrans-64-43.7179.2-71.8-17914.300111.8V366 M400 I401 A408V366-Q404 HydrophobicContact CG1-CB 4.4Å; V366-Q404 HydrophobicContact CG2-CB 3.99Å; V366-Q404 VanDerWaalsContact CG2-OE1 3.31Å; M400-Q404 WeakPolarHBondContact O-CB 3.37Å; M400-Q404 WeakPolarHBondContact O-CG 3.25Å; M400-Q404 PolarHBondContact O-N 3.23Å; I401-Q404 PolarHBondContact O-N 3.02Å; Q404-A408 VanDerWaalsContact O-CB 3.27Å; Q404-A408 WeakPolarHBondContact O-CB 3.27Å; Q404-A408 PolarHBondContact O-N 3.39Å
405L93.6Very high90.2Very high1 Ų149.8 Ų49.81%0.00524%0.241CC..Hα-helixtrans-64.1-48.9175.1-67.9176.6000111.6M113 L362 I401 R407 A408 I409M113-L405 HydrophobicContact CE-CD1 4.02Å; M113-L405 HydrophobicContact SD-CD1 3.85Å; L362-L405 HydrophobicContact CD2-CD2 3.62Å; L362-L405 HydrophobicContact CG-CD2 3.88Å; I401-L405 HydrophobicContact CG2-CD1 3.85Å; I401-L405 HydrophobicContact CG2-CG 4.42Å; I401-L405 VanDerWaalsContact O-CG 3.31Å; I401-L405 WeakPolarHBondContact O-CG 3.42Å; I401-L405 PolarHBondContact O-N 2.9Å; I401-L405 VanDerWaalsContact O-N 3.1Å; L405-R407 PolarHBondContact O-N 3.02Å; L405-A408 PolarHBondContact O-N 3.31Å; L405-I409 WeakPolarHBondContact O-CG1 3.32Å; L405-I409 PolarHBondContact O-N 3.38Å; L405-I409 VanDerWaalsContact O-N 3.08Å
406N93.9Very high90.5Very high28 Ų2846.5 Ų46.515%0.1523%0.226CC..Hα-helixtrans-62.3-42.5-179.9-75.4-14.4000112.1P114 I148 T402 E403 S410P114-N406 VanDerWaalsContact CG-OD1 3.32Å; P114-N406 WeakPolarHBondContact CG-OD1 3.5Å; I148-N406 HydrophobicContact CG2-CB 4.41Å; T402-N406 VanDerWaalsContact O-CB 3.29Å; T402-N406 WeakPolarHBondContact O-CB 3.31Å; T402-N406 PolarHBondContact O-N 3.1Å; T402-N406 PolarHBondContact O-ND2 3.31Å; E403-N406 PolarHBondContact O-N 3.24Å; N406-S410 WeakPolarHBondContact O-CB 3.49Å; N406-S410 PolarHBondContact O-N 3.29Å
407R93.4Very high90.4Very high178 Ų17854.1 Ų54.167%0.67226%0.259SS*.Hα-helixtrans-66.1-43.3178.3-176177.3177.1176.40.2111.6E403 L405 S411E403-R407 WeakPolarHBondContact O-CB 3.47Å; E403-R407 PolarHBondContact O-N 3.29Å; L405-R407 PolarHBondContact O-N 3.02Å; R407-S411 VanDerWaalsContact O-CB 3.3Å; R407-S411 WeakPolarHBondContact O-CB 3.43Å; R407-S411 PolarHBondContact O-N 3.29Å; R407-S411 PolarHBondContact O-OG 3.48Å
408A93.6Very high90Very high8 Ų854.9 Ų54.97%0.06626%0.259CS..Hα-helixtrans-62.2-46.4179.200000111.6L362 Q404 L405 G412L362-A408 HydrophobicContact CD1-CB 4.34Å; L362-A408 HydrophobicContact CD2-CB 3.51Å; Q404-A408 VanDerWaalsContact O-CB 3.27Å; Q404-A408 WeakPolarHBondContact O-CB 3.27Å; Q404-A408 PolarHBondContact O-N 3.39Å; L405-A408 PolarHBondContact O-N 3.31Å; A408-G412 VanDerWaalsContact O-CA 3.29Å; A408-G412 WeakPolarHBondContact O-CA 3.16Å; A408-G412 PolarHBondContact O-N 2.86Å
409I94.3Very high89.3Confident0 Ų054.1 Ų54.10%025%0.252CS..Hα-helixtrans-75.8-36.2-179.3-56167.4000111.6P114 F146 I148 K153 L359 L405 W414 T427P114-I409 HydrophobicContact CB-CD1 4.14Å; P114-I409 HydrophobicContact CG-CD1 4.05Å; F146-I409 HydrophobicContact CB-CG2 4.4Å; F146-I409 HydrophobicContact CD2-CG2 4.42Å; I148-I409 HydrophobicContact CD1-CB 3.3Å; I148-I409 HydrophobicContact CD1-CD1 4.04Å; I148-I409 HydrophobicContact CD1-CG1 4.27Å; I148-I409 HydrophobicContact CD1-CG2 3.24Å; I148-I409 HydrophobicContact CG1-CG2 4.44Å; K153-I409 HydrophobicContact CB-CG2 4.18Å; L359-I409 HydrophobicContact CD2-CD1 3.96Å; L359-I409 HydrophobicContact CD2-CG1 4.37Å; L405-I409 WeakPolarHBondContact O-CG1 3.32Å; L405-I409 PolarHBondContact O-N 3.38Å; L405-I409 VanDerWaalsContact O-N 3.08Å; I409-W414 HydrophobicContact CG1-CZ2 4.25Å; I409-T427 HydrophobicContact CG2-CG2 4.17Å; I409-T427 WeakPolarHBondContact O-CB 3.31Å; I409-T427 PolarHBondContact O-OG1 2.87Å
410S93.7Very high88.4Confident52 Ų5256.5 Ų56.536%0.36426%0.261SS..Hα-helixtrans-69.2-47179.6-1780000112.6K153 N406K153-S410 PolarHBondContact NZ-O 2.83Å; N406-S410 WeakPolarHBondContact O-CB 3.49Å; N406-S410 PolarHBondContact O-N 3.29Å
411S92.8Very high87.7Confident56 Ų5656.3 Ų56.339%0.39226%0.26SS..Hα-helixtrans-81.9-24.3-179.368.60000113.7R407 N413R407-S411 VanDerWaalsContact O-CB 3.3Å; R407-S411 WeakPolarHBondContact O-CB 3.43Å; R407-S411 PolarHBondContact O-N 3.29Å; R407-S411 PolarHBondContact O-OG 3.48Å; S411-N413 PolarHBondContact O-N 3.47Å; S411-N413 PolarHBondContact OG-N 2.91Å
412G90.4Very high87.3Confident0 Ų061.7 Ų61.70%029%0.286CS..  trans7511.7-174.400000114.6A408 G425 V426 T427A408-G412 VanDerWaalsContact O-CA 3.29Å; A408-G412 WeakPolarHBondContact O-CA 3.16Å; A408-G412 PolarHBondContact O-N 2.86Å; G412-G425 PolarHBondContact O-N 2.86Å; G412-V426 PolarHBondContact O-N 3.02Å; G412-T427 WeakPolarHBondContact CA-OG1 3.48Å; G412-T427 PolarHBondContact N-OG1 3.5Å
413N90.7Very high86.8Confident63 Ų6362.4 Ų62.434%0.33729%0.286SS..  trans-97.3112.5177.5-65.2-32.9000110.1S411 I415 R423 H424S411-N413 PolarHBondContact O-N 3.47Å; S411-N413 PolarHBondContact OG-N 2.91Å; N413-I415 HydrophobicContact CB-CD1 4.48Å; N413-R423 WeakPolarHBondContact CA-O 3.48Å; N413-H424 PolarHBondContact OD1-ND1 2.88Å
414W87.8Confident86.6Confident1 Ų163.4 Ų63.40%0.00429%0.291CS..EExtended strand (participates in β ladder)trans-106.788.4179.1-63.767.3000107.8L358 L359 L362 I409 M421 R423 V426 T427L358-W414 HydrophobicContact CB-CH2 4.19Å; L358-W414 HydrophobicContact CB-CZ3 4.04Å; L358-W414 VanDerWaalsContact O-CZ3 3.28Å; L358-W414 WeakPolarHBondContact O-CZ3 3.44Å; L359-W414 HydrophobicContact CD2-CH2 3.65Å; L359-W414 HydrophobicContact CD2-CZ3 4.33Å; L359-W414 HydrophobicContact CG-CH2 3.99Å; L362-W414 HydrophobicContact CB-CE3 3.8Å; L362-W414 HydrophobicContact CB-CZ3 3.44Å; L362-W414 VanDerWaalsContact CB-CZ3 3.44Å; L362-W414 HydrophobicContact CD1-CE3 4.44Å; L362-W414 HydrophobicContact CD2-CE3 3.81Å; L362-W414 HydrophobicContact CD2-CH2 3.91Å; L362-W414 HydrophobicContact CD2-CZ3 3.43Å; L362-W414 VanDerWaalsContact CD2-CZ3 3.43Å; L362-W414 HydrophobicContact CG-CE3 4.23Å; L362-W414 HydrophobicContact CG-CZ3 4.01Å; I409-W414 HydrophobicContact CG1-CZ2 4.25Å; W414-M421 HydrophobicContact CB-CE 4.26Å; W414-R423 HydrophobicContact CB-CB 4.33Å; W414-R423 PolarHBondContact N-O 3.19Å; W414-R423 PolarHBondContact O-N 3.48Å; W414-V426 VanDerWaalsContact CD1-CB 3.44Å; W414-V426 HydrophobicContact CG-CB 4.34Å; W414-V426 HydrophobicContact CG-CG2 4.18Å; W414-T427 HydrophobicContact CZ2-CG2 4.2Å
415I87Confident86.3Confident83 Ų8361.9 Ų61.943%0.42629%0.294SS..EExtended strand (participates in β ladder)trans-102.895.2-178.2-66.5172.1000107.1N413 M422N413-I415 HydrophobicContact CB-CD1 4.48Å; I415-M422 HydrophobicContact CB-CE 4.37Å; I415-M422 HydrophobicContact CB-SD 4.14Å; I415-M422 HydrophobicContact CD1-CE 4.08Å; I415-M422 HydrophobicContact CG1-CE 3.8Å; I415-M422 HydrophobicContact CG1-SD 4.09Å; I415-M422 HydrophobicContact CG2-CE 3.88Å; I415-M422 HydrophobicContact CG2-SD 3.58Å; I415-M422 VanDerWaalsContact CG2-SD 3.58Å
416I83.9Confident86.2Confident0 Ų062 Ų620%029%0.294CS..EExtended strand (participates in β ladder)trans-113.399.6178-55.7-180000108.7L361 L362 D365 R418 F419 R420 M421L361-I416 HydrophobicContact CB-CD1 4.24Å; L362-I416 HydrophobicContact CB-CD1 4.27Å; L362-I416 HydrophobicContact CD1-CD1 4.32Å; L362-I416 HydrophobicContact CD1-CG1 4.32Å; D365-I416 HydrophobicContact CB-CG2 3.69Å; D365-I416 VanDerWaalsContact CG-CG2 3.42Å; D365-I416 WeakPolarHBondContact OD2-CG2 3.42Å; I416-R418 VanDerWaalsContact C-N 3.33Å; I416-R418 HydrophobicContact CG2-CB 4.48Å; I416-R418 PolarHBondContact O-N 3.5Å; I416-F419 HydrophobicContact CB-CD2 4.38Å; I416-F419 HydrophobicContact CD1-CD2 4.45Å; I416-F419 HydrophobicContact CG2-CB 4.14Å; I416-F419 HydrophobicContact CG2-CD2 3.37Å; I416-F419 HydrophobicContact CG2-CE2 4.09Å; I416-F419 HydrophobicContact CG2-CG 4.09Å; I416-F419 PolarHBondContact O-N 2.85Å; I416-R420 PolarHBondContact O-N 3.06Å; I416-M421 HydrophobicContact CB-CB 4.41Å; I416-M421 HydrophobicContact CD1-CE 3.57Å; I416-M421 HydrophobicContact CG1-CE 4.13Å; I416-M421 PolarHBondContact N-O 3.06Å; I416-M421 PolarHBondContact O-N 2.86Å
417K79.9Confident86.2Confident179 Ų17961.1 Ų61.178%0.77829%0.29SS*.THydrogen-bonded Turntrans-63.7-38.8-176.8-69.4-178.2179.7176.70111.8F419 R420K417-F419 VanDerWaalsContact C-N 3.32Å; K417-F419 PolarHBondContact O-N 3.41Å; K417-R420 PolarHBondContact O-N 3.38Å; K417-R420 VanDerWaalsContact O-N 3.08Å
418R77.1Confident86.3Confident87 Ų8756 Ų5633%0.32827%0.274SS..THydrogen-bonded Turntrans-61.1-39.5-177-168.5174.8-78.9122.3-11.2112.4D365 K368 E372 I416D365-R418 PolarHBondContact O-NH1 3.07Å; D365-R418 VanDerWaalsContact OD1-CB 3.22Å; D365-R418 WeakPolarHBondContact OD1-CB 3.45Å; D365-R418 IonicContact OD1-CZ 3.91Å; D365-R418 IonicContact OD1-NH1 3.66Å; D365-R418 PolarHBondContact OD1-NH1 3.02Å; K368-R418 VanDerWaalsContact CB-CZ 3.44Å; K368-R418 VanDerWaalsContact CB-NH2 3.33Å; E372-R418 IonicContact OE1-CZ 2.8Å; E372-R418 IonicContact OE1-NH2 2.77Å; E372-R418 PolarHBondContact OE1-NH2 2.99Å; E372-R418 IonicContact OE2-NH2 3.84Å; I416-R418 VanDerWaalsContact C-N 3.33Å; I416-R418 HydrophobicContact CG2-CB 4.48Å; I416-R418 PolarHBondContact O-N 3.5Å
419F71.1Confident86.3Confident35 Ų3559.6 Ų59.615%0.15430%0.295CS..THydrogen-bonded Turntrans-94.77.1177.1-56.2-54.4000114K188 L361 E364 I416 K417 M421K188-F419 HydrophobicContact CD-CD1 4.17Å; L361-F419 HydrophobicContact CB-CE2 4.47Å; L361-F419 HydrophobicContact CD2-CE2 4.28Å; E364-F419 WeakPolarHBondContact OE2-CZ 3.18Å; I416-F419 HydrophobicContact CB-CD2 4.38Å; I416-F419 HydrophobicContact CD1-CD2 4.45Å; I416-F419 HydrophobicContact CG2-CB 4.14Å; I416-F419 HydrophobicContact CG2-CD2 3.37Å; I416-F419 HydrophobicContact CG2-CE2 4.09Å; I416-F419 HydrophobicContact CG2-CG 4.09Å; I416-F419 PolarHBondContact O-N 2.85Å; K417-F419 VanDerWaalsContact C-N 3.32Å; K417-F419 PolarHBondContact O-N 3.41Å; F419-M421 HydrophobicContact CB-CB 4.43Å; F419-M421 PolarHBondContact O-N 2.74Å; F419-M421 VanDerWaalsContact O-N 3.14Å
420R72.8Confident86.3Confident202 Ų20260 Ų6076%0.76230%0.298SS*.THydrogen-bonded Turntrans49.136.8-173.5-58-176.7-179.6-178.81.4112.6I416 K417I416-R420 PolarHBondContact O-N 3.06Å; K417-R420 PolarHBondContact O-N 3.38Å; K417-R420 VanDerWaalsContact O-N 3.08Å
421M76.6Confident86.2Confident17 Ų1759.4 Ų59.48%0.08429%0.293CS..EExtended strand (participates in β ladder)trans-101.8113.7-178.9-171.5174.679.900108.9W414 I416 F419 R423W414-M421 HydrophobicContact CB-CE 4.26Å; I416-M421 HydrophobicContact CB-CB 4.41Å; I416-M421 HydrophobicContact CD1-CE 3.57Å; I416-M421 HydrophobicContact CG1-CE 4.13Å; I416-M421 PolarHBondContact N-O 3.06Å; I416-M421 PolarHBondContact O-N 2.86Å; F419-M421 HydrophobicContact CB-CB 4.43Å; F419-M421 PolarHBondContact O-N 2.74Å; F419-M421 VanDerWaalsContact O-N 3.14Å; M421-R423 HydrophobicContact CG-CG 3.91Å
422M83.1Confident86.1Confident112 Ų11257.6 Ų57.655%0.55228%0.278SS*.EExtended strand (participates in β ladder)trans-118.991176-62.5-65.2-69.400107.8I415I415-M422 HydrophobicContact CB-CE 4.37Å; I415-M422 HydrophobicContact CB-SD 4.14Å; I415-M422 HydrophobicContact CD1-CE 4.08Å; I415-M422 HydrophobicContact CG1-CE 3.8Å; I415-M422 HydrophobicContact CG1-SD 4.09Å; I415-M422 HydrophobicContact CG2-CE 3.88Å; I415-M422 HydrophobicContact CG2-SD 3.58Å; I415-M422 VanDerWaalsContact CG2-SD 3.58Å
423R83.6Confident86.2Confident39 Ų3958.7 Ų58.715%0.14728%0.284CS..EExtended strand (participates in β ladder)trans-113.1139.9179-66.7-176-179.8152.913.6111.5E353 N413 W414 M421 V426 Q448E353-R423 IonicContact OE2-CZ 3.35Å; E353-R423 IonicContact OE2-NH1 2.93Å; E353-R423 PolarHBondContact OE2-NH1 3.09Å; N413-R423 WeakPolarHBondContact CA-O 3.48Å; W414-R423 HydrophobicContact CB-CB 4.33Å; W414-R423 PolarHBondContact N-O 3.19Å; W414-R423 PolarHBondContact O-N 3.48Å; M421-R423 HydrophobicContact CG-CG 3.91Å; R423-V426 HydrophobicContact CB-CG2 3.59Å; R423-Q448 VanDerWaalsContact NH2-NE2 3.17Å
424H87.5Confident86.2Confident120 Ų12055.8 Ų55.856%0.55627%0.268SS*.  trans-122.6145179-62.4-68.3000109.8N413 V426N413-H424 PolarHBondContact OD1-ND1 2.88Å; H424-V426 VanDerWaalsContact C-N 3.31Å; H424-V426 PolarHBondContact O-N 3.07Å
425G85.7Confident86.5Confident39 Ų3956.3 Ų56.340%0.40227%0.27SS..SBendtrans69.423.4175.500000115.1G412 T427G412-G425 PolarHBondContact O-N 2.86Å; G425-T427 VanDerWaalsContact C-N 3.3Å
426V91.4Very high86.8Confident2 Ų252.5 Ų52.51%0.01225%0.251CS..  trans-67.5-34.2177.5178.40000111V155 L156 Q158 L358 G412 W414 R423 H424V155-V426 HydrophobicContact CG1-CG1 4.1Å; L156-V426 PolarHBondContact N-O 2.96Å; Q158-V426 HydrophobicContact CG-CG1 4.41Å; L358-V426 HydrophobicContact CD1-CG1 3.85Å; G412-V426 PolarHBondContact O-N 3.02Å; W414-V426 VanDerWaalsContact CD1-CB 3.44Å; W414-V426 HydrophobicContact CG-CB 4.34Å; W414-V426 HydrophobicContact CG-CG2 4.18Å; R423-V426 HydrophobicContact CB-CG2 3.59Å; H424-V426 VanDerWaalsContact C-N 3.31Å; H424-V426 PolarHBondContact O-N 3.07Å
427T94.3Very high87.2Confident10 Ų1052.6 Ų52.66%0.06125%0.251CS..EExtended strand (participates in β ladder)trans-106.1143.6174.7710000111.1V154 V155 I409 G412 W414 G425V154-T427 CarbonylContact O-C 3.6Å; V154-T427 VanDerWaalsContact O-CA 3.23Å; V154-T427 WeakPolarHBondContact O-CA 3.22Å; V155-T427 HydrophobicContact CB-CG2 4.49Å; V155-T427 HydrophobicContact CG2-CG2 3.88Å; I409-T427 HydrophobicContact CG2-CG2 4.17Å; I409-T427 WeakPolarHBondContact O-CB 3.31Å; I409-T427 PolarHBondContact O-OG1 2.87Å; G412-T427 WeakPolarHBondContact CA-OG1 3.48Å; G412-T427 PolarHBondContact N-OG1 3.5Å; W414-T427 HydrophobicContact CZ2-CG2 4.2Å; G425-T427 VanDerWaalsContact C-N 3.3Å
428Q94.2Very high87.8Confident70 Ų7044 Ų4433%0.32721%0.214SC..EExtended strand (participates in β ladder)trans-134.6158178.8-64.8-172.72.600110.3K153 V154 L156 H441K153-Q428 CarbonylContact C-O 3.51Å; K153-Q428 WeakPolarHBondContact CA-O 3.42Å; V154-Q428 HydrophobicContact CG1-CB 4.49Å; V154-Q428 PolarHBondContact N-O 3.02Å; V154-Q428 PolarHBondContact O-N 2.91Å; L156-Q428 VanDerWaalsContact CD1-CD 3.44Å; L156-Q428 HydrophobicContact CD1-CG 3.93Å; L156-Q428 HydrophobicContact CG-CG 4.44Å; Q428-H441 PolarHBondContact OE1-NE2 2.99Å
429V94.9Very high88.6Confident85 Ų8540.3 Ų40.352%0.51520%0.201SC..EExtended strand (participates in β ladder)trans-73.3133.3173.3179.10000108.9E152 K153 S431 H441E152-V429 WeakPolarHBondContact O-CA 3.17Å; K153-V429 HydrophobicContact CD-CG2 4.14Å; V429-S431 PolarHBondContact O-N 2.93Å; V429-H441 PolarHBondContact O-CE1 3.3Å
430V94Very high89.6Confident9 Ų938.7 Ų38.76%0.05519%0.194CC..  trans-60.2134.4179.4-179.40000109.9Y145 E152 V154 R432 A438 M442Y145-V430 HydrophobicContact CD2-CG2 4.37Å; Y145-V430 HydrophobicContact CG-CG2 4.15Å; E152-V430 HydrophobicContact CB-CB 3.98Å; E152-V430 HydrophobicContact CB-CG2 3.86Å; E152-V430 PolarHBondContact O-N 2.97Å; V154-V430 HydrophobicContact CB-CG2 4.02Å; V154-V430 HydrophobicContact CG1-CG2 4.25Å; V430-R432 HydrophobicContact CG1-CG 4.34Å; V430-R432 PolarHBondContact O-N 2.85Å; V430-A438 HydrophobicContact CG1-CB 4.36Å; V430-M442 HydrophobicContact CG2-CE 4.45Å
431S92Very high90.6Very high38 Ų3829.3 Ų29.327%0.26616%0.158SC..  trans-87.996-176.31770000109.7V429 L433 A437 A438 H441V429-S431 PolarHBondContact O-N 2.93Å; S431-L433 VanDerWaalsContact C-N 3.33Å; S431-L433 PolarHBondContact O-N 3.22Å; S431-A437 CarbonylContact O-C 3.43Å; S431-A437 WeakPolarHBondContact O-CB 3.21Å; S431-A438 PolarHBondContact O-N 3.36Å; S431-H441 PolarHBondContact N-ND1 3.36Å
432R91.2Very high91.4Very high18 Ų1828.6 Ų28.67%0.06816%0.155CC..THydrogen-bonded Turntrans-9242.1-178.9-69-67.9-172.7177.31.5113.9D141 Y145 E152 V430 V685D141-R432 IonicContact OD1-CZ 2.64Å; D141-R432 VanDerWaalsContact OD1-CZ 3.26Å; D141-R432 IonicContact OD1-NH1 3.12Å; D141-R432 PolarHBondContact OD1-NH1 3.15Å; D141-R432 IonicContact OD1-NH2 2.78Å; D141-R432 PolarHBondContact OD1-NH2 3.41Å; D141-R432 IonicContact OD2-NH2 3.46Å; D141-R432 PolarHBondContact OD2-NH2 3.5Å; Y145-R432 VanDerWaalsContact CZ-NH2 3.26Å; Y145-R432 PolarHBondContact OH-NH2 3.43Å; E152-R432 IonicContact OE1-NE 3.33Å; E152-R432 IonicContact OE1-NH2 3.15Å; E152-R432 IonicContact OE2-CZ 3.79Å; E152-R432 IonicContact OE2-NE 3.64Å; E152-R432 PolarHBondContact OE2-NE 3.06Å; E152-R432 IonicContact OE2-NH2 2.69Å; E152-R432 PolarHBondContact OE2-NH2 3.4Å; E152-R432 VanDerWaalsContact OE2-NH2 3.13Å; V430-R432 HydrophobicContact CG1-CG 4.34Å; V430-R432 PolarHBondContact O-N 2.85Å; R432-V685 HydrophobicContact CB-CG1 4.01Å; R432-V685 HydrophobicContact CG-CG1 4.48Å; R432-V685 WeakPolarHBondContact O-CG2 3.46Å
433L90.8Very high91.8Very high24 Ų2423.5 Ų23.513%0.12613%0.13CC..THydrogen-bonded Turntrans-77-40.1174.3-68.4172.7000112.1S431 A437 K1010S431-L433 VanDerWaalsContact C-N 3.33Å; S431-L433 PolarHBondContact O-N 3.22Å; L433-A437 HydrophobicContact CB-CB 4.26Å; L433-K1010 HydrophobicContact CD1-CD 3.8Å; L433-K1010 HydrophobicContact CD2-CD 4.22Å
434S91.8Very high92.4Very high1 Ų123.8 Ų23.81%0.00713%0.131CC..SBendtrans-149.5165.3175.164.50000109.1V436 A437 A438 A681S434-V436 VanDerWaalsContact C-N 3.26Å; S434-V436 PolarHBondContact O-N 3.26Å; S434-A437 WeakPolarHBondContact O-CB 3.24Å; S434-A437 PolarHBondContact O-N 2.83Å; S434-A437 VanDerWaalsContact O-N 3.15Å; S434-A437 WeakPolarHBondContact OG-CB 3.1Å; S434-A437 PolarHBondContact OG-N 3.44Å; S434-A437 VanDerWaalsContact OG-N 3.15Å; S434-A438 PolarHBondContact O-N 3.29Å; S434-A681 WeakPolarHBondContact CB-O 3.41Å
435Y93.1Very high92.6Very high13 Ų1318 Ų185%0.05111%0.105CC..Hα-helixtrans-54.7-43.3172.7173.7-118.5000112.2L140 A437 A438 L439 T684 M716 L721L140-Y435 HydrophobicContact CB-CE2 4.42Å; L140-Y435 WeakPolarHBondContact O-CE2 3.46Å; Y435-A437 VanDerWaalsContact C-N 3.34Å; Y435-A437 PolarHBondContact O-N 3.43Å; Y435-A438 WeakPolarHBondContact O-CB 3.28Å; Y435-A438 PolarHBondContact O-N 3.45Å; Y435-L439 HydrophobicContact CD1-CD1 3.93Å; Y435-L439 HydrophobicContact CD2-CD1 4.45Å; Y435-L439 HydrophobicContact CE1-CD1 3.4Å; Y435-L439 HydrophobicContact CE1-CG 4.41Å; Y435-L439 HydrophobicContact CE2-CD1 3.96Å; Y435-L439 HydrophobicContact CE2-CG 4.13Å; Y435-L439 HydrophobicContact CG-CD1 4.43Å; Y435-L439 VanDerWaalsContact CZ-CD1 3.42Å; Y435-L439 PolarHBondContact O-N 2.87Å; Y435-L439 VanDerWaalsContact O-N 3.07Å; Y435-T684 PolarHBondContact N-O 2.88Å; Y435-M716 VanDerWaalsContact CE1-O 3.28Å; Y435-M716 WeakPolarHBondContact CE1-O 3.35Å; Y435-M716 PolarHBondContact OH-O 2.87Å; Y435-L721 HydrophobicContact CD1-CB 4.18Å; Y435-L721 HydrophobicContact CD1-CD1 4.31Å; Y435-L721 HydrophobicContact CD2-CD1 3.92Å; Y435-L721 HydrophobicContact CE2-CD1 4.36Å; Y435-L721 HydrophobicContact CG-CB 4.24Å; Y435-L721 HydrophobicContact CG-CD1 3.9Å
436V93Very high93Very high3 Ų317.1 Ų17.12%0.0189%0.091CC..Hα-helixtrans-61.8-40.1176.3176.10000112.1S434 A438 L439 G440 V656 L659 F718S434-V436 VanDerWaalsContact C-N 3.26Å; S434-V436 PolarHBondContact O-N 3.26Å; V436-A438 VanDerWaalsContact C-N 3.26Å; V436-A438 PolarHBondContact O-N 3.23Å; V436-L439 PolarHBondContact O-N 3.11Å; V436-G440 PolarHBondContact O-N 3.44Å; V436-V656 HydrophobicContact CG1-CB 4.32Å; V436-V656 HydrophobicContact CG1-CG1 3.97Å; V436-V656 HydrophobicContact CG1-CG2 3.79Å; V436-L659 HydrophobicContact CB-CD1 4.19Å; V436-L659 HydrophobicContact CG1-CD1 3.48Å; V436-L659 VanDerWaalsContact CG1-CD1 3.48Å; V436-L659 HydrophobicContact CG2-CD1 3.64Å; V436-F718 HydrophobicContact CG2-CD2 3.26Å; V436-F718 HydrophobicContact CG2-CE2 3.31Å; V436-F718 HydrophobicContact CG2-CG 4.28Å; V436-F718 HydrophobicContact CG2-CZ 4.37Å
437A93.3Very high92.9Very high1 Ų117.8 Ų17.81%0.00810%0.096CC..Hα-helixtrans-63.5-35.3179.100000111.9S431 L433 S434 Y435 H441 K679S431-A437 CarbonylContact O-C 3.43Å; S431-A437 WeakPolarHBondContact O-CB 3.21Å; L433-A437 HydrophobicContact CB-CB 4.26Å; S434-A437 WeakPolarHBondContact O-CB 3.24Å; S434-A437 PolarHBondContact O-N 2.83Å; S434-A437 VanDerWaalsContact O-N 3.15Å; S434-A437 WeakPolarHBondContact OG-CB 3.1Å; S434-A437 PolarHBondContact OG-N 3.44Å; S434-A437 VanDerWaalsContact OG-N 3.15Å; Y435-A437 VanDerWaalsContact C-N 3.34Å; Y435-A437 PolarHBondContact O-N 3.43Å; A437-H441 WeakPolarHBondContact O-CB 3.34Å; A437-H441 PolarHBondContact O-N 3.23Å; A437-K679 HydrophobicContact CB-CB 4.3Å; A437-K679 VanDerWaalsContact CB-O 3.27Å; A437-K679 WeakPolarHBondContact CB-O 3.44Å
438A93.3Very high92.2Very high0 Ų021.9 Ų21.90%012%0.115CC..Hα-helixtrans-69.1-49.1174.400000111.1V430 S431 S434 Y435 V436 G440 H441 M442V430-A438 HydrophobicContact CG1-CB 4.36Å; S431-A438 PolarHBondContact O-N 3.36Å; S434-A438 PolarHBondContact O-N 3.29Å; Y435-A438 WeakPolarHBondContact O-CB 3.28Å; Y435-A438 PolarHBondContact O-N 3.45Å; V436-A438 VanDerWaalsContact C-N 3.26Å; V436-A438 PolarHBondContact O-N 3.23Å; A438-G440 PolarHBondContact O-N 2.88Å; A438-H441 WeakPolarHBondContact O-CB 3.38Å; A438-H441 PolarHBondContact O-N 3.2Å; A438-H441 VanDerWaalsContact O-N 3.08Å; A438-M442 WeakPolarHBondContact O-CG 3.38Å; A438-M442 PolarHBondContact O-N 3.3Å
439L92.1Very high91.6Very high9 Ų923.2 Ų23.25%0.04712%0.119CC..Hα-helixtrans-58.2-49.5177.3-74.3170.9000112.7V18 P142 Y435 V436 H441 M442 T443 V655 M716V18-L439 HydrophobicContact CG2-CD2 4.48Å; P142-L439 HydrophobicContact CB-CD2 3.86Å; P142-L439 HydrophobicContact CG-CD2 4.1Å; Y435-L439 HydrophobicContact CD1-CD1 3.93Å; Y435-L439 HydrophobicContact CD2-CD1 4.45Å; Y435-L439 HydrophobicContact CE1-CD1 3.4Å; Y435-L439 HydrophobicContact CE1-CG 4.41Å; Y435-L439 HydrophobicContact CE2-CD1 3.96Å; Y435-L439 HydrophobicContact CE2-CG 4.13Å; Y435-L439 HydrophobicContact CG-CD1 4.43Å; Y435-L439 VanDerWaalsContact CZ-CD1 3.42Å; Y435-L439 PolarHBondContact O-N 2.87Å; Y435-L439 VanDerWaalsContact O-N 3.07Å; V436-L439 PolarHBondContact O-N 3.11Å; L439-H441 PolarHBondContact O-N 3.35Å; L439-M442 PolarHBondContact O-N 3.43Å; L439-M442 VanDerWaalsContact O-N 3.08Å; L439-T443 PolarHBondContact O-N 2.85Å; L439-V655 HydrophobicContact CB-CG1 4.14Å; L439-V655 HydrophobicContact CD1-CG1 4.21Å; L439-M716 HydrophobicContact CD1-CE 3.57Å; L439-M716 HydrophobicContact CD2-CE 3.9Å; L439-M716 HydrophobicContact CG-CE 4.31Å
440G92.4Very high90.7Very high0 Ų024.3 Ų24.30%012%0.119CC..Hα-helixtrans-71.6-4.3177.300000114.3V436 A438 N485V436-G440 PolarHBondContact O-N 3.44Å; A438-G440 PolarHBondContact O-N 2.88Å; G440-N485 PolarHBondContact O-OD1 3.41Å; G440-N485 VanDerWaalsContact O-OD1 3.14Å
441H94Very high90.1Very high5 Ų528.6 Ų28.62%0.02314%0.137CC..Hα-helixtrans-89.1-34.5167-155.9170.1000110.9Q428 V429 S431 A437 A438 L439 T443 R444Q428-H441 PolarHBondContact OE1-NE2 2.99Å; V429-H441 PolarHBondContact O-CE1 3.3Å; S431-H441 PolarHBondContact N-ND1 3.36Å; A437-H441 WeakPolarHBondContact O-CB 3.34Å; A437-H441 PolarHBondContact O-N 3.23Å; A438-H441 WeakPolarHBondContact O-CB 3.38Å; A438-H441 PolarHBondContact O-N 3.2Å; A438-H441 VanDerWaalsContact O-N 3.08Å; L439-H441 PolarHBondContact O-N 3.35Å; H441-T443 VanDerWaalsContact C-N 3.32Å; H441-T443 PolarHBondContact O-N 3.17Å; H441-R444 PolarHBondContact NE2-NH1 3.22Å; H441-R444 WeakPolarHBondContact O-CB 2.95Å; H441-R444 PolarHBondContact O-N 3.16Å
442M93Very high89.4Confident2 Ų232.2 Ų32.21%0.0116%0.157CC..Hα-helixtrans-69.4-28.4178.8-57.6-34-153.400113.3V18 H21 P142 G143 Y145 V154 V430 A438 L439 R444V18-M442 HydrophobicContact CG1-CB 4.24Å; V18-M442 HydrophobicContact CG1-CG 4.25Å; V18-M442 HydrophobicContact CG2-CB 4.04Å; V18-M442 HydrophobicContact CG2-CG 4.32Å; H21-M442 PolarHBondContact CD2-O 3.29Å; H21-M442 PolarHBondContact NE2-O 3.38Å; H21-M442 VanDerWaalsContact NE2-O 3.09Å; P142-M442 HydrophobicContact CB-CG 4.26Å; P142-M442 HydrophobicContact CG-CE 4.48Å; P142-M442 HydrophobicContact CG-CG 4.35Å; G143-M442 WeakPolarHBondContact O-CE 3.41Å; Y145-M442 HydrophobicContact CD1-CE 3.21Å; Y145-M442 HydrophobicContact CE1-CE 4.1Å; Y145-M442 HydrophobicContact CG-CE 3.81Å; V154-M442 HydrophobicContact CB-SD 4.22Å; V154-M442 HydrophobicContact CG2-SD 3.71Å; V430-M442 HydrophobicContact CG2-CE 4.45Å; A438-M442 WeakPolarHBondContact O-CG 3.38Å; A438-M442 PolarHBondContact O-N 3.3Å; L439-M442 PolarHBondContact O-N 3.43Å; L439-M442 VanDerWaalsContact O-N 3.08Å; M442-R444 VanDerWaalsContact C-N 3.32Å
443T93.1Very high88.9Confident5 Ų538.8 Ų38.83%0.03118%0.182CC..THydrogen-bonded Turntrans-93.29.9179.958.90000113.4L17 M157 L439 H441 N485 V486L17-T443 HydrophobicContact CB-CG2 4.45Å; M157-T443 VanDerWaalsContact CE-O 3.25Å; M157-T443 WeakPolarHBondContact CE-O 3.1Å; L439-T443 PolarHBondContact O-N 2.85Å; H441-T443 VanDerWaalsContact C-N 3.32Å; H441-T443 PolarHBondContact O-N 3.17Å; T443-N485 WeakPolarHBondContact O-CA 3.4Å; T443-V486 PolarHBondContact O-N 3.15Å
444R94.6Very high88.5Confident45 Ų4547.3 Ų47.317%0.1722%0.218CC..EExtended strand (participates in β ladder)trans-84.2134.6-174.1-173.2-178.2-64172.33.9112.3L156 M157 H441 M442 V483 N485L156-R444 HydrophobicContact CD2-CB 4.18Å; L156-R444 HydrophobicContact CD2-CG 4.41Å; M157-R444 WeakPolarHBondContact CE-O 3.39Å; M157-R444 PolarHBondContact N-O 3.17Å; H441-R444 PolarHBondContact NE2-NH1 3.22Å; H441-R444 WeakPolarHBondContact O-CB 2.95Å; H441-R444 PolarHBondContact O-N 3.16Å; M442-R444 VanDerWaalsContact C-N 3.32Å; R444-V483 HydrophobicContact CG-CG1 3.65Å; R444-N485 WeakPolarHBondContact CA-OD1 3.24Å; R444-N485 WeakPolarHBondContact CB-OD1 3.39Å; R444-N485 PolarHBondContact N-OD1 2.92Å
445M93Very high88.2Confident0 Ų050.8 Ų50.80%024%0.239CC..EExtended strand (participates in β ladder)trans-118148.5172.159.8178.5-70.700111.4M157 E159 Y347 I352 I469 V483 K484 F578M157-M445 HydrophobicContact CB-CB 3.97Å; M157-M445 HydrophobicContact CE-CB 4.44Å; M157-M445 CarbonylContact O-C 3.57Å; M157-M445 WeakPolarHBondContact O-CA 3.47Å; E159-M445 HydrophobicContact CB-CE 4.09Å; E159-M445 HydrophobicContact CG-CE 4.27Å; E159-M445 WeakPolarHBondContact OE2-CE 3.36Å; Y347-M445 HydrophobicContact CE1-CE 4.09Å; I352-M445 HydrophobicContact CD1-CE 3.91Å; M445-I469 HydrophobicContact CE-CD1 3.86Å; M445-I469 HydrophobicContact SD-CD1 3.51Å; M445-I469 VanDerWaalsContact SD-CD1 3.51Å; M445-I469 HydrophobicContact SD-CG1 3.85Å; M445-V483 WeakPolarHBondContact O-CA 3.37Å; M445-K484 HydrophobicContact CG-CB 3.73Å; M445-K484 VanDerWaalsContact CG-O 3.25Å; M445-K484 WeakPolarHBondContact CG-O 3.38Å; M445-K484 PolarHBondContact N-O 2.88Å; M445-K484 PolarHBondContact O-N 3.24Å; M445-K484 HydrophobicContact SD-CB 3.99Å; M445-F578 HydrophobicContact CE-CE2 4.48Å; M445-F578 HydrophobicContact SD-CE2 4.38Å; M445-F578 HydrophobicContact SD-CZ 4.04Å
446T93Very high87.8Confident19 Ų1954.4 Ų54.412%0.11727%0.266CS..EExtended strand (participates in β ladder)trans-124.8135.3177.759.30000110.8L156 M157 Q158 E159 V483L156-T446 HydrophobicContact CB-CG2 4.3Å; L156-T446 HydrophobicContact CD1-CG2 3.61Å; M157-T446 PolarHBondContact O-N 2.66Å; Q158-T446 PolarHBondContact NE2-OG1 2.72Å; Q158-T446 PolarHBondContact OE1-OG1 3.04Å; E159-T446 PolarHBondContact N-O 3.14Å; T446-V483 HydrophobicContact CG2-CG2 4.25Å
447S89Confident87.6Confident17 Ų1756 Ų5612%0.11928%0.283CS..  trans-82.4154171.8-164.50000111.9F449 L482S447-F449 VanDerWaalsContact C-N 3.31Å; S447-F449 PolarHBondContact O-N 3.44Å; S447-F449 WeakPolarHBondContact OG-CD2 3.47Å; S447-L482 WeakPolarHBondContact CB-O 3.49Å; S447-L482 PolarHBondContact N-O 3.3Å
448Q81.5Confident87.3Confident96 Ų9656.2 Ų56.245%0.44929%0.285SS..SBendtrans-76-13.5-176.9-76.7178.3700114.6E159 Q160 R423E159-Q448 WeakPolarHBondContact O-CG 3.32Å; E159-Q448 PolarHBondContact O-NE2 3.39Å; Q160-Q448 VanDerWaalsContact CG-NE2 3.32Å; R423-Q448 VanDerWaalsContact NH2-NE2 3.17Å
449F79.6Confident87.2Confident98 Ų9858.7 Ų58.743%0.4329%0.294SS..SBendtrans-64.4140.2-176.9-67.4-80.2000112.2S447 K451 P458 L482S447-F449 VanDerWaalsContact C-N 3.31Å; S447-F449 PolarHBondContact O-N 3.44Å; S447-F449 WeakPolarHBondContact OG-CD2 3.47Å; F449-K451 PolarHBondContact O-N 3.06Å; F449-P458 HydrophobicContact CD2-CB 3.8Å; F449-P458 HydrophobicContact CD2-CG 3.88Å; F449-P458 HydrophobicContact CE1-CG 4.48Å; F449-P458 HydrophobicContact CE2-CB 3.53Å; F449-P458 HydrophobicContact CE2-CG 3.8Å; F449-P458 HydrophobicContact CG-CG 4.27Å; F449-P458 HydrophobicContact CZ-CB 4.18Å; F449-P458 HydrophobicContact CZ-CG 4.12Å; F449-L482 HydrophobicContact CB-CD2 4.06Å; F449-L482 HydrophobicContact CD2-CD2 4.45Å
450E75.9Confident87.2Confident107 Ų10761.7 Ų61.750%0.532%0.316SS..  trans-61.4122.7172.4-69.3175168.500110T452 R453E450-T452 PolarHBondContact O-N 3.4Å; E450-T452 VanDerWaalsContact O-N 3.12Å; E450-R453 HydrophobicContact CB-CG 4.25Å; E450-R453 PolarHBondContact O-N 3.39Å; E450-R453 IonicContact OE2-CZ 2.62Å; E450-R453 IonicContact OE2-NE 3.1Å; E450-R453 PolarHBondContact OE2-NE 3.33Å; E450-R453 IonicContact OE2-NH2 2.69Å; E450-R453 PolarHBondContact OE2-NH2 3.3Å; E450-R453 VanDerWaalsContact OE2-NH2 3.1Å
451K81.7Confident87.3Confident99 Ų9967.1 Ų67.143%0.4334%0.343SS..THydrogen-bonded Turntrans-58.4-28.2-177.7-61.8179.5-177175.60113.6F449 R453 R459 E478 L482F449-K451 PolarHBondContact O-N 3.06Å; K451-R453 VanDerWaalsContact C-N 3.28Å; K451-R453 PolarHBondContact O-N 3.03Å; K451-R459 PolarHBondContact O-NH2 2.82Å; K451-E478 WeakPolarHBondContact CD-OE1 3.38Å; K451-E478 IonicContact NZ-OE1 2.87Å; K451-L482 HydrophobicContact CG-CD1 4.24Å
452T78.5Confident87.2Confident114 Ų11469.3 Ų69.370%0.69935%0.354SS*.THydrogen-bonded Turntrans-68.5-26.5179.752.40000112.5E450 K454E450-T452 PolarHBondContact O-N 3.4Å; E450-T452 VanDerWaalsContact O-N 3.12Å; T452-K454 PolarHBondContact O-N 3.37Å
453R79.6Confident87.2Confident156 Ų15673.4 Ų73.459%0.58939%0.388SS*.SBendtrans-78.9121.9176.6-61-171.3-167-162.92.3109.6E450 K451 V455 R459E450-R453 HydrophobicContact CB-CG 4.25Å; E450-R453 PolarHBondContact O-N 3.39Å; E450-R453 IonicContact OE2-CZ 2.62Å; E450-R453 IonicContact OE2-NE 3.1Å; E450-R453 PolarHBondContact OE2-NE 3.33Å; E450-R453 IonicContact OE2-NH2 2.69Å; E450-R453 PolarHBondContact OE2-NH2 3.3Å; E450-R453 VanDerWaalsContact OE2-NH2 3.1Å; K451-R453 VanDerWaalsContact C-N 3.28Å; K451-R453 PolarHBondContact O-N 3.03Å; R453-V455 HydrophobicContact CB-CG2 4.12Å; R453-V455 PolarHBondContact O-N 3.48Å; R453-V455 VanDerWaalsContact O-N 3.07Å; R453-R459 PolarHBondContact O-NH2 3.47Å; R453-R459 VanDerWaalsContact O-NH2 3.12Å
454K83.1Confident87.3Confident204 Ų20474 Ų7489%0.88739%0.393SS*.  trans-8448.6177.8-62-175.7180-179.70111.8T452T452-K454 PolarHBondContact O-N 3.37Å
455V84.5Confident87.2Confident74 Ų7472.4 Ų72.445%0.44839%0.387SS..  trans-80122.4174.7-169.60000108.5R453 P458 R459R453-V455 HydrophobicContact CB-CG2 4.12Å; R453-V455 PolarHBondContact O-N 3.48Å; R453-V455 VanDerWaalsContact O-N 3.07Å; V455-P458 HydrophobicContact CG1-CG 4.39Å; V455-R459 WeakPolarHBondContact O-CD 3.29Å; V455-R459 WeakPolarHBondContact O-CG 3.47Å; V455-R459 PolarHBondContact O-NE 2.69Å
456S86.4Confident87.3Confident88 Ų8877.8 Ų77.862%0.61541%0.407SS*.SBendtrans-77.6-36.9-177.250.10000113.5R459 S460S456-R459 WeakPolarHBondContact O-CB 3.33Å; S456-R459 PolarHBondContact O-N 3.38Å; S456-S460 PolarHBondContact O-N 2.96Å; S456-S460 PolarHBondContact O-OG 3.5Å
457G87.1Confident87.2Confident36 Ų3676.9 Ų76.937%0.37140%0.402SS..G310 helixtrans-42.6-66.7-177.300000114.8R459 S460G457-R459 PolarHBondContact O-N 2.73Å; G457-R459 VanDerWaalsContact O-N 3.13Å; G457-S460 PolarHBondContact O-N 3.2Å
458P88.1Confident87.4Confident7 Ų776.1 Ų76.15%0.04540%0.396CS..G310 helixtrans-71.3-11.2-177.228.3-35.9000114.2D345 F449 V455D345-P458 WeakPolarHBondContact OD1-CA 3.48Å; D345-P458 WeakPolarHBondContact OD1-CB 3.45Å; F449-P458 HydrophobicContact CD2-CB 3.8Å; F449-P458 HydrophobicContact CD2-CG 3.88Å; F449-P458 HydrophobicContact CE1-CG 4.48Å; F449-P458 HydrophobicContact CE2-CB 3.53Å; F449-P458 HydrophobicContact CE2-CG 3.8Å; F449-P458 HydrophobicContact CG-CG 4.27Å; F449-P458 HydrophobicContact CZ-CB 4.18Å; F449-P458 HydrophobicContact CZ-CG 4.12Å; V455-P458 HydrophobicContact CG1-CG 4.39Å
459R91.2Very high88.1Confident52 Ų5271.7 Ų71.720%0.19638%0.376CS..G310 helixtrans-87.4-29.4178.3-64.5179.2-179.6-95.98.3112.2K451 R453 V455 S456 G457 E478 C480 G481 L482K451-R459 PolarHBondContact O-NH2 2.82Å; R453-R459 PolarHBondContact O-NH2 3.47Å; R453-R459 VanDerWaalsContact O-NH2 3.12Å; V455-R459 WeakPolarHBondContact O-CD 3.29Å; V455-R459 WeakPolarHBondContact O-CG 3.47Å; V455-R459 PolarHBondContact O-NE 2.69Å; S456-R459 WeakPolarHBondContact O-CB 3.33Å; S456-R459 PolarHBondContact O-N 3.38Å; G457-R459 PolarHBondContact O-N 2.73Å; G457-R459 VanDerWaalsContact O-N 3.13Å; R459-E478 PolarHBondContact NH1-O 3.33Å; R459-E478 PolarHBondContact NH2-O 3.12Å; R459-C480 PolarHBondContact NH1-O 3.05Å; R459-G481 VanDerWaalsContact O-CA 3.32Å; R459-G481 WeakPolarHBondContact O-CA 3.36Å; R459-L482 HydrophobicContact CG-CD2 3.96Å; R459-L482 HydrophobicContact CG-CG 4.13Å
460S92.6Very high88.8Confident72 Ų7267.3 Ų67.350%0.50336%0.357SS..SBendtrans-65.3150.5176.3-63.70000111.2S456 G457 H462S456-S460 PolarHBondContact O-N 2.96Å; S456-S460 PolarHBondContact O-OG 3.5Å; G457-S460 PolarHBondContact O-N 3.2Å; S460-H462 PolarHBondContact O-N 2.88Å
461I93.2Very high89.7Confident113 Ų11364.2 Ų64.258%0.57935%0.346SS*.PPolyproline II helixtrans-72.6122.5173.5-59.7172.5000107.6P471I461-P471 HydrophobicContact CD1-CB 4.26Å; I461-P471 WeakPolarHBondContact CD1-O 3.42Å
462H93.5Very high90.4Very high51 Ų5160 Ų6024%0.23633%0.329CS..PPolyproline II helixtrans-94.7140.2179.1-169.9-90.9000110.1D343 F346 S460 S464 Q465D343-H462 IonicContact OD2-CD2 3.43Å; D343-H462 IonicContact OD2-CE1 3.99Å; D343-H462 IonicContact OD2-NE2 2.88Å; D343-H462 PolarHBondContact OD2-NE2 3.1Å; D343-H462 VanDerWaalsContact OD2-NE2 3.14Å; F346-H462 AromaticContact CD2-CE1 3.96Å; S460-H462 PolarHBondContact O-N 2.88Å; H462-S464 VanDerWaalsContact ND1-CB 3.28Å; H462-S464 WeakPolarHBondContact ND1-CB 3.49Å; H462-S464 PolarHBondContact ND1-N 3.46Å; H462-S464 VanDerWaalsContact ND1-N 3.17Å; H462-S464 PolarHBondContact ND1-OG 3.43Å; H462-S464 PolarHBondContact O-N 2.84Å; H462-S464 VanDerWaalsContact O-N 3.16Å; H462-Q465 HydrophobicContact CB-CG 4.27Å; H462-Q465 VanDerWaalsContact N-NE2 3.19Å; H462-Q465 VanDerWaalsContact O-CB 3.23Å; H462-Q465 WeakPolarHBondContact O-CB 3.37Å; H462-Q465 WeakPolarHBondContact O-CG 3.48Å; H462-Q465 PolarHBondContact O-N 2.97Å
463A92.7Very high91.2Very high89 Ų8954.6 Ų54.674%0.73630%0.296SS*.G310 helixtrans-59.1-31.6-176.200000113.2Q465 W466A463-Q465 PolarHBondContact O-N 2.89Å; A463-W466 PolarHBondContact O-N 3.3Å
464S93.7Very high91.9Very high18 Ų1848.1 Ų48.113%0.12627%0.274CS..G310 helixtrans-66.5-3.1176.980.10000114.7Y347 H462 W466Y347-S464 PolarHBondContact N-OG 3.36Å; H462-S464 VanDerWaalsContact ND1-CB 3.28Å; H462-S464 WeakPolarHBondContact ND1-CB 3.49Å; H462-S464 PolarHBondContact ND1-N 3.46Å; H462-S464 VanDerWaalsContact ND1-N 3.17Å; H462-S464 PolarHBondContact ND1-OG 3.43Å; H462-S464 PolarHBondContact O-N 2.84Å; H462-S464 VanDerWaalsContact O-N 3.16Å; S464-W466 VanDerWaalsContact C-N 3.3Å
465Q93.8Very high92.3Very high11 Ų1140.4 Ų40.45%0.05125%0.245CC..G310 helixtrans-83.7-7.4177.6-66178.425.800112.8Y347 H462 A463 G467 L468 I469Y347-Q465 HydrophobicContact CD2-CG 3.55Å; Y347-Q465 HydrophobicContact CE2-CG 3.35Å; Y347-Q465 VanDerWaalsContact CE2-NE2 3.34Å; Y347-Q465 HydrophobicContact CG-CG 4.42Å; H462-Q465 HydrophobicContact CB-CG 4.27Å; H462-Q465 VanDerWaalsContact N-NE2 3.19Å; H462-Q465 VanDerWaalsContact O-CB 3.23Å; H462-Q465 WeakPolarHBondContact O-CB 3.37Å; H462-Q465 WeakPolarHBondContact O-CG 3.48Å; H462-Q465 PolarHBondContact O-N 2.97Å; A463-Q465 PolarHBondContact O-N 2.89Å; Q465-G467 PolarHBondContact O-N 3.33Å; Q465-L468 PolarHBondContact O-N 3.35Å; Q465-I469 HydrophobicContact CB-CB 4.22Å; Q465-I469 HydrophobicContact CG-CB 4.5Å; Q465-I469 HydrophobicContact CG-CD1 4.24Å; Q465-I469 PolarHBondContact O-N 3.1Å; Q465-I469 VanDerWaalsContact O-N 3.12Å
466W94.2Very high92.5Very high112 Ų11242.7 Ų42.742%0.42425%0.25SS..THydrogen-bonded Turntrans-47.3121.7-177.4179.4-92.7000112.3A463 S464 L468 M631 E646 I652A463-W466 PolarHBondContact O-N 3.3Å; S464-W466 VanDerWaalsContact C-N 3.3Å; W466-L468 PolarHBondContact O-N 3.36Å; W466-L468 VanDerWaalsContact O-N 3.1Å; W466-M631 HydrophobicContact CH2-CE 4.13Å; W466-M631 HydrophobicContact CZ2-CE 3.58Å; W466-M631 HydrophobicContact CZ2-SD 3.86Å; W466-E646 PolarHBondContact NE1-OE2 3.11Å; W466-I652 HydrophobicContact CD2-CD1 3.96Å; W466-I652 HydrophobicContact CE3-CD1 3.4Å; W466-I652 VanDerWaalsContact CE3-CD1 3.4Å; W466-I652 HydrophobicContact CH2-CD1 3.75Å; W466-I652 HydrophobicContact CZ2-CD1 4.24Å; W466-I652 HydrophobicContact CZ3-CD1 3.3Å
467G91.3Very high92.6Very high0 Ų040.8 Ų40.80%025%0.245CC..THydrogen-bonded Turntrans70.7-1.9178.100000116Q465 A487 R580Q465-G467 PolarHBondContact O-N 3.33Å; G467-A487 WeakPolarHBondContact O-CB 3.29Å; G467-R580 PolarHBondContact O-NH1 3.22Å
468L94Very high92.8Very high1 Ų145 Ų451%0.00526%0.255CS..THydrogen-bonded Turntrans-108-44.2-177.2-58.4177.7000112.3Q465 W466 A487 C490 F578 R580 V621Q465-L468 PolarHBondContact O-N 3.35Å; W466-L468 PolarHBondContact O-N 3.36Å; W466-L468 VanDerWaalsContact O-N 3.1Å; L468-A487 WeakPolarHBondContact O-CB 3.35Å; L468-A487 PolarHBondContact O-N 3.47Å; L468-C490 WeakPolarHBondContact O-CB 3.36Å; L468-F578 HydrophobicContact CB-CB 4.45Å; L468-F578 HydrophobicContact CD1-CB 3.81Å; L468-F578 HydrophobicContact CD2-CB 4.05Å; L468-F578 HydrophobicContact CG-CB 4.32Å; L468-R580 HydrophobicContact CD2-CB 3.8Å; L468-V621 HydrophobicContact CD1-CG2 3.23Å
469I94.9Very high92.9Very high3 Ų345.3 Ų45.32%0.01526%0.258CS..BIsolated β-bridgetrans-121139.3179.7-67.7172.2000108.5Y347 M445 Q465 P471 K484 N485 F578Y347-I469 HydrophobicContact CD1-CD1 4.04Å; Y347-I469 HydrophobicContact CE1-CD1 3.21Å; Y347-I469 HydrophobicContact CE2-CD1 4.04Å; Y347-I469 WeakPolarHBondContact OH-CD1 3.32Å; M445-I469 HydrophobicContact CE-CD1 3.86Å; M445-I469 HydrophobicContact SD-CD1 3.51Å; M445-I469 VanDerWaalsContact SD-CD1 3.51Å; M445-I469 HydrophobicContact SD-CG1 3.85Å; Q465-I469 HydrophobicContact CB-CB 4.22Å; Q465-I469 HydrophobicContact CG-CB 4.5Å; Q465-I469 HydrophobicContact CG-CD1 4.24Å; Q465-I469 PolarHBondContact O-N 3.1Å; Q465-I469 VanDerWaalsContact O-N 3.12Å; I469-P471 WeakPolarHBondContact O-CD 3.44Å; I469-K484 HydrophobicContact CG2-CB 3.9Å; I469-K484 HydrophobicContact CG2-CD 4.27Å; I469-K484 HydrophobicContact CG2-CG 4.42Å; I469-N485 WeakPolarHBondContact CG2-O 3.38Å; I469-F578 HydrophobicContact CD1-CE2 4.07Å; I469-F578 HydrophobicContact CG1-CE2 4.26Å; I469-F578 HydrophobicContact CG1-CZ 4.49Å
470C95.7Very high93Very high6 Ų645.4 Ų45.44%0.04127%0.267CS..  trans-67.5126177.1-177.10000110.4S472 D473 N485 G654 A657C470-S472 VanDerWaalsContact C-N 3.3Å; C470-S472 PolarHBondContact O-N 3.32Å; C470-D473 HydrophobicContact CB-CB 3.94Å; C470-D473 PolarHBondContact SG-N 3.14Å; C470-D473 VanDerWaalsContact SG-N 3.43Å; C470-N485 PolarHBondContact N-O 2.87Å; C470-G654 PolarHBondContact SG-N 2.95Å; C470-A657 VanDerWaalsContact SG-CB 3.53Å
471P94.9Very high93Very high42 Ų4242.3 Ų42.327%0.27325%0.246SC..SBendtrans-68.7-28.318025.9-34.2000113I461 I469 I652 L653I461-P471 HydrophobicContact CD1-CB 4.26Å; I461-P471 WeakPolarHBondContact CD1-O 3.42Å; I469-P471 WeakPolarHBondContact O-CD 3.44Å; P471-I652 WeakPolarHBondContact CD-O 3.35Å; P471-I652 HydrophobicContact CG-CG1 4.4Å; P471-L653 HydrophobicContact CG-CD2 4.26Å
472S94.8Very high92.9Very high11 Ų1137.2 Ų37.28%0.07722%0.219CC..SBendtrans-98.7-24.3-173.5-52.10000113.7C470 T474 T672C470-S472 VanDerWaalsContact C-N 3.3Å; C470-S472 PolarHBondContact O-N 3.32Å; S472-T474 VanDerWaalsContact C-N 3.35Å; S472-T474 PolarHBondContact O-N 3.02Å; S472-T672 VanDerWaalsContact O-CA 3.31Å; S472-T672 WeakPolarHBondContact O-CA 3.21Å; S472-T672 PolarHBondContact O-OG1 3.17Å
473D95.5Very high92.9Very high1 Ų135.6 Ų35.61%0.00521%0.213CC..  trans-88.771.6-170.2-167.27.2000113C470 N485 C675 K679C470-D473 HydrophobicContact CB-CB 3.94Å; C470-D473 PolarHBondContact SG-N 3.14Å; C470-D473 VanDerWaalsContact SG-N 3.43Å; D473-N485 HydrophobicContact CB-CB 4.18Å; D473-N485 PolarHBondContact O-ND2 2.9Å; D473-N485 PolarHBondContact OD1-ND2 3.29Å; D473-N485 VanDerWaalsContact OD1-ND2 3.1Å; D473-N485 WeakPolarHBondContact OD2-CB 3.13Å; D473-N485 PolarHBondContact OD2-ND2 3.5Å; D473-C675 HydrophobicContact CB-CB 4.22Å; D473-C675 WeakPolarHBondContact OD1-CB 3.24Å; D473-K679 WeakPolarHBondContact OD1-CE 3.46Å; D473-K679 IonicContact OD1-NZ 3.3Å; D473-K679 PolarHBondContact OD1-NZ 2.97Å; D473-K679 IonicContact OD2-NZ 3.52Å; D473-K679 PolarHBondContact OD2-NZ 3.38Å
474T94.2Very high93Very high20 Ų2031.9 Ų31.912%0.12318%0.18CC..  trans-126.9143.3172.9-166.80000110.3S472 G481 V483 T672S472-T474 VanDerWaalsContact C-N 3.35Å; S472-T474 PolarHBondContact O-N 3.02Å; T474-G481 PolarHBondContact OG1-N 3.43Å; T474-V483 PolarHBondContact OG1-O 3.06Å; T474-T672 HydrophobicContact CG2-CG2 3.8Å; T474-T672 WeakPolarHBondContact O-CG2 3.14Å
475P91.9Very high93.1Very high41 Ų4131 Ų3127%0.26617%0.174SC..  trans-69.5145.1174.529.2-33.9000111.3A479 C480 V483P475-A479 HydrophobicContact CG-CB 3.84Å; P475-C480 VanDerWaalsContact O-CA 3.28Å; P475-C480 WeakPolarHBondContact O-CA 3.34Å; P475-C480 WeakPolarHBondContact O-CB 3.05Å; P475-V483 WeakPolarHBondContact CD-O 3.31Å; P475-V483 HydrophobicContact CG-CB 3.9Å; P475-V483 HydrophobicContact CG-CG1 4.29Å
476E88.7Confident93.1Very high122 Ų12230.6 Ų30.657%0.5717%0.173SC*.SBendtrans-71.6146.9167.3-173.5176.1-158.900110.6Y673E476-Y673 VanDerWaalsContact CD-CE1 3.45Å; E476-Y673 HydrophobicContact CG-CE1 4.36Å; E476-Y673 WeakPolarHBondContact OE1-CE1 3.38Å; E476-Y673 PolarHBondContact OE1-OH 3.39Å; E476-Y673 WeakPolarHBondContact OE2-CE1 3.43Å
477G89.2Confident93.1Very high49 Ų4925.3 Ų25.351%0.50515%0.153SC..SBendtrans105.8-153.1177.100000114.2A479 C480G477-A479 PolarHBondContact O-N 2.97Å; G477-A479 VanDerWaalsContact O-N 3.07Å; G477-C480 VanDerWaalsContact O-CB 3.25Å; G477-C480 WeakPolarHBondContact O-CB 3.49Å; G477-C480 PolarHBondContact O-N 3.31Å; G477-C480 VanDerWaalsContact O-N 3.09Å
478E90.4Very high93.2Very high123 Ų12325.4 Ų25.458%0.57515%0.153SC*.THydrogen-bonded Turntrans-60.6-21-17458.6160.2-148.100114.7K451 R459K451-E478 WeakPolarHBondContact CD-OE1 3.38Å; K451-E478 IonicContact NZ-OE1 2.87Å; R459-E478 PolarHBondContact NH1-O 3.33Å; R459-E478 PolarHBondContact NH2-O 3.12Å
479A91.3Very high93.1Very high14 Ų1425.3 Ų25.312%0.11615%0.153CC..THydrogen-bonded Turntrans-94.2-1.4-177.800000113.5P475 G477 G481 L482 V483P475-A479 HydrophobicContact CG-CB 3.84Å; G477-A479 PolarHBondContact O-N 2.97Å; G477-A479 VanDerWaalsContact O-N 3.07Å; A479-G481 PolarHBondContact O-N 3.5Å; A479-L482 PolarHBondContact O-N 3.15Å; A479-L482 VanDerWaalsContact O-N 3.11Å; A479-V483 HydrophobicContact CB-CG2 3.96Å; A479-V483 PolarHBondContact O-N 3.46Å; A479-V483 VanDerWaalsContact O-N 3.07Å
480C93.2Very high93Very high55 Ų5525.5 Ų25.537%0.37215%0.154SC..THydrogen-bonded Turntrans-56129.4-179.9-175.80000111R459 P475 G477 L482R459-C480 PolarHBondContact NH1-O 3.05Å; P475-C480 VanDerWaalsContact O-CA 3.28Å; P475-C480 WeakPolarHBondContact O-CA 3.34Å; P475-C480 WeakPolarHBondContact O-CB 3.05Å; G477-C480 VanDerWaalsContact O-CB 3.25Å; G477-C480 WeakPolarHBondContact O-CB 3.49Å; G477-C480 PolarHBondContact O-N 3.31Å; G477-C480 VanDerWaalsContact O-N 3.09Å; C480-L482 PolarHBondContact O-N 2.91Å; C480-L482 VanDerWaalsContact O-N 3.08Å
481G91.4Very high92.9Very high6 Ų625.7 Ų25.76%0.06215%0.154CC..THydrogen-bonded Turntrans75-18.1-178.600000115.6R459 T474 A479 K484R459-G481 VanDerWaalsContact O-CA 3.32Å; R459-G481 WeakPolarHBondContact O-CA 3.36Å; T474-G481 PolarHBondContact OG1-N 3.43Å; A479-G481 PolarHBondContact O-N 3.5Å; G481-K484 WeakPolarHBondContact O-CD 3.39Å; G481-K484 WeakPolarHBondContact O-CE 3.42Å; G481-K484 PolarHBondContact O-NZ 2.8Å
482L92.5Very high92.8Very high6 Ų623.8 Ų23.83%0.03114%0.142CC..THydrogen-bonded Turntrans-90.3-32.8177-61.6-177.3000112.4S447 F449 K451 R459 A479 C480S447-L482 WeakPolarHBondContact CB-O 3.49Å; S447-L482 PolarHBondContact N-O 3.3Å; F449-L482 HydrophobicContact CB-CD2 4.06Å; F449-L482 HydrophobicContact CD2-CD2 4.45Å; K451-L482 HydrophobicContact CG-CD1 4.24Å; R459-L482 HydrophobicContact CG-CD2 3.96Å; R459-L482 HydrophobicContact CG-CG 4.13Å; A479-L482 PolarHBondContact O-N 3.15Å; A479-L482 VanDerWaalsContact O-N 3.11Å; C480-L482 PolarHBondContact O-N 2.91Å; C480-L482 VanDerWaalsContact O-N 3.08Å
483V93.8Very high92.7Very high17 Ų1723.4 Ų23.410%0.10314%0.139CC..EExtended strand (participates in β ladder)trans-104.7120.4171.8-178.60000107.9R444 M445 T446 T474 P475 A479R444-V483 HydrophobicContact CG-CG1 3.65Å; M445-V483 WeakPolarHBondContact O-CA 3.37Å; T446-V483 HydrophobicContact CG2-CG2 4.25Å; T474-V483 PolarHBondContact OG1-O 3.06Å; P475-V483 WeakPolarHBondContact CD-O 3.31Å; P475-V483 HydrophobicContact CG-CB 3.9Å; P475-V483 HydrophobicContact CG-CG1 4.29Å; A479-V483 HydrophobicContact CB-CG2 3.96Å; A479-V483 PolarHBondContact O-N 3.46Å; A479-V483 VanDerWaalsContact O-N 3.07Å
484K94.1Very high92.3Very high11 Ų1125.1 Ų25.15%0.04815%0.15CC..EExtended strand (participates in β ladder)trans-131.4165.4-172.9-64.8175.3-91.9-159.50109.1E159 Y347 M445 I469 G481E159-K484 IonicContact OE2-NZ 2.8Å; E159-K484 PolarHBondContact OE2-NZ 3.28Å; Y347-K484 VanDerWaalsContact OH-CE 3.29Å; Y347-K484 WeakPolarHBondContact OH-CE 3.05Å; Y347-K484 PolarHBondContact OH-NZ 3.42Å; M445-K484 HydrophobicContact CG-CB 3.73Å; M445-K484 VanDerWaalsContact CG-O 3.25Å; M445-K484 WeakPolarHBondContact CG-O 3.38Å; M445-K484 PolarHBondContact N-O 2.88Å; M445-K484 PolarHBondContact O-N 3.24Å; M445-K484 HydrophobicContact SD-CB 3.99Å; I469-K484 HydrophobicContact CG2-CB 3.9Å; I469-K484 HydrophobicContact CG2-CD 4.27Å; I469-K484 HydrophobicContact CG2-CG 4.42Å; G481-K484 WeakPolarHBondContact O-CD 3.39Å; G481-K484 WeakPolarHBondContact O-CE 3.42Å; G481-K484 PolarHBondContact O-NZ 2.8Å
485N95.2Very high91.8Very high0 Ų030 Ų300%017%0.171CC..EExtended strand (participates in β ladder)trans-126.6147174.1-66.8-75.6000110.9G440 T443 R444 I469 C470 D473 K679G440-N485 PolarHBondContact O-OD1 3.41Å; G440-N485 VanDerWaalsContact O-OD1 3.14Å; T443-N485 WeakPolarHBondContact O-CA 3.4Å; R444-N485 WeakPolarHBondContact CA-OD1 3.24Å; R444-N485 WeakPolarHBondContact CB-OD1 3.39Å; R444-N485 PolarHBondContact N-OD1 2.92Å; I469-N485 WeakPolarHBondContact CG2-O 3.38Å; C470-N485 PolarHBondContact N-O 2.87Å; D473-N485 HydrophobicContact CB-CB 4.18Å; D473-N485 PolarHBondContact O-ND2 2.9Å; D473-N485 PolarHBondContact OD1-ND2 3.29Å; D473-N485 VanDerWaalsContact OD1-ND2 3.1Å; D473-N485 WeakPolarHBondContact OD2-CB 3.13Å; D473-N485 PolarHBondContact OD2-ND2 3.5Å; N485-K679 PolarHBondContact ND2-NZ 3.38Å
486V94.6Very high91.4Very high3 Ų330 Ų302%0.01817%0.17CC..BIsolated β-bridgetrans-70.1144.4-179.8178.10000110.8L20 M157 T443 C490 F578L20-V486 HydrophobicContact CD1-CG1 4.39Å; M157-V486 HydrophobicContact CE-CG2 3.55Å; M157-V486 HydrophobicContact SD-CG2 4.27Å; T443-V486 PolarHBondContact O-N 3.15Å; V486-C490 HydrophobicContact CG1-CB 3.39Å; V486-F578 HydrophobicContact CG2-CE1 4.09Å; V486-F578 HydrophobicContact CG2-CZ 4.23Å
487A94.4Very high91.2Very high0 Ų029.3 Ų29.30%017%0.17CC..  trans-74.2165.3175.600000111.9G467 L468 M489 C490G467-A487 WeakPolarHBondContact O-CB 3.29Å; L468-A487 WeakPolarHBondContact O-CB 3.35Å; L468-A487 PolarHBondContact O-N 3.47Å; A487-M489 PolarHBondContact O-N 2.73Å; A487-C490 PolarHBondContact O-N 3.46Å
488L91.8Very high91.1Very high2 Ų228.2 Ų28.21%0.0115%0.153CC..THydrogen-bonded Turntrans-63.5-40.7-168.2-164.876.1000114.3V8 L12 L17 T651 L653 V655 T712 M715 M716V8-L488 HydrophobicContact CG1-CD2 3.8Å; L12-L488 HydrophobicContact CD1-CD1 4.49Å; L12-L488 HydrophobicContact CD1-CD2 4.31Å; L12-L488 HydrophobicContact CD1-CG 4.4Å; L12-L488 HydrophobicContact CD2-CD1 4.5Å; L12-L488 HydrophobicContact CD2-CG 4.38Å; L17-L488 HydrophobicContact CD1-CD1 3.83Å; L17-L488 HydrophobicContact CD2-CD1 3.89Å; L17-L488 HydrophobicContact CD2-CG 4.43Å; L17-L488 VanDerWaalsContact CD2-O 3.29Å; L17-L488 WeakPolarHBondContact CD2-O 3.32Å; L17-L488 HydrophobicContact CG-CD1 4.38Å; L488-T651 HydrophobicContact CD2-CG2 4.09Å; L488-T651 PolarHBondContact N-O 3.18Å; L488-L653 PolarHBondContact N-O 3.08Å; L488-V655 HydrophobicContact CD1-CG2 4.29Å; L488-T712 HydrophobicContact CD1-CG2 4.18Å; L488-T712 HydrophobicContact CD2-CG2 4.22Å; L488-M715 HydrophobicContact CD2-SD 4.24Å; L488-M716 HydrophobicContact CD1-SD 4.23Å
489M92.5Very high91Very high0 Ų024.8 Ų24.80%015%0.146CC..THydrogen-bonded Turntrans-100.817.6-177.4-68.5-165.48400114.2V8 F11 A487 P581 W607 I647 T651V8-M489 HydrophobicContact CB-SD 4.44Å; V8-M489 HydrophobicContact CG1-CG 4.15Å; V8-M489 HydrophobicContact CG1-SD 4.27Å; V8-M489 HydrophobicContact CG2-SD 3.81Å; F11-M489 HydrophobicContact CB-CE 3.74Å; F11-M489 HydrophobicContact CD1-CB 4.47Å; F11-M489 HydrophobicContact CD1-CE 4.02Å; F11-M489 HydrophobicContact CD1-CG 4.14Å; F11-M489 HydrophobicContact CD2-CE 4.31Å; F11-M489 HydrophobicContact CE1-CB 4.28Å; F11-M489 HydrophobicContact CE1-CG 4.39Å; F11-M489 HydrophobicContact CG-CE 3.75Å; A487-M489 PolarHBondContact O-N 2.73Å; M489-P581 HydrophobicContact CB-CG 4.46Å; M489-P581 HydrophobicContact CE-CG 3.58Å; M489-P581 WeakPolarHBondContact O-CD 3.41Å; M489-W607 HydrophobicContact CE-CH2 4.08Å; M489-I647 HydrophobicContact CE-CD1 3.74Å; M489-I647 HydrophobicContact CE-CG2 4.41Å; M489-I647 HydrophobicContact SD-CB 4.29Å; M489-I647 HydrophobicContact SD-CD1 4.34Å; M489-I647 HydrophobicContact SD-CG2 4.17Å; M489-T651 HydrophobicContact CG-CG2 3.9Å; M489-T651 HydrophobicContact SD-CG2 4Å
490C92.8Very high90.8Very high6 Ų630.9 Ų30.94%0.04117%0.172CC..  trans-83.4133.8179.4178.80000110.9L468 V486 A487 F578L468-C490 WeakPolarHBondContact O-CB 3.36Å; V486-C490 HydrophobicContact CG1-CB 3.39Å; A487-C490 PolarHBondContact O-N 3.46Å; C490-F578 WeakPolarHBondContact SG-CD1 3.28Å
491H92.9Very high90.6Very high10 Ų1028.9 Ų28.95%0.04616%0.157CC..EExtended strand (participates in β ladder)trans-115.9145.7174.9-176.3-91.1000110F557 C579 Y618H491-F557 AromaticContact CE1-CE1 3.67Å; H491-F557 AromaticContact CE1-CE2 3.62Å; H491-F557 AromaticContact CE1-CZ 3.16Å; H491-F557 WeakPolarHBondContact CE1-CZ 3.35Å; H491-F557 AromaticContact ND1-CE1 3.44Å; H491-F557 WeakPolarHBondContact ND1-CE1 3.25Å; H491-F557 AromaticContact ND1-CZ 3.45Å; H491-F557 WeakPolarHBondContact ND1-CZ 3.45Å; H491-F557 AromaticContact NE2-CZ 3.76Å; H491-C579 PolarHBondContact N-O 2.93Å; H491-C579 PolarHBondContact O-N 3.11Å; H491-Y618 HydrophobicContact CB-CE1 4.24Å
492V93.1Very high90.6Very high2 Ų230.1 Ų30.11%0.01216%0.162CC..EExtended strand (participates in β ladder)trans-110.6126.3174.8-176.70000108.7L20 I352 L354 R577 F578L20-V492 HydrophobicContact CD1-CG2 4.3Å; L20-V492 HydrophobicContact CD2-CB 4.12Å; L20-V492 HydrophobicContact CD2-CG2 4.11Å; I352-V492 HydrophobicContact CB-CG1 4.38Å; L354-V492 HydrophobicContact CD1-CB 3.96Å; L354-V492 HydrophobicContact CD1-CG1 3.65Å; L354-V492 HydrophobicContact CD2-CB 4.45Å; L354-V492 HydrophobicContact CD2-CG1 4.21Å; L354-V492 HydrophobicContact CD2-CG2 4.42Å; L354-V492 HydrophobicContact CG-CG1 3.98Å; V492-R577 WeakPolarHBondContact CA-O 3.5Å; V492-F578 HydrophobicContact CG2-CD1 3.65Å; V492-F578 HydrophobicContact CG2-CE1 3.57Å
493T92.6Very high90.5Very high3 Ų335.9 Ų35.92%0.01819%0.189CC..PPolyproline II helixtrans-69.4145.6-178.162.10000111.8F557 D574 G576 R577 C579T493-F557 HydrophobicContact CG2-CB 3.92Å; T493-F557 HydrophobicContact CG2-CD1 4.22Å; T493-F557 HydrophobicContact CG2-CG 4.04Å; T493-D574 PolarHBondContact OG1-O 3.2Å; T493-D574 VanDerWaalsContact OG1-O 3.06Å; T493-G576 PolarHBondContact O-N 3.11Å; T493-G576 PolarHBondContact OG1-N 3.11Å; T493-R577 HydrophobicContact CG2-CB 4.16Å; T493-R577 PolarHBondContact N-O 3.44Å; T493-R577 WeakPolarHBondContact OG1-CB 3.5Å; T493-R577 PolarHBondContact OG1-N 2.92Å; T493-C579 WeakPolarHBondContact CG2-SG 3.21Å
494V87Confident90.3Very high38 Ų3837.3 Ų37.323%0.2320%0.196CC..PPolyproline II helixtrans-97.1155.8164.6-1780000107.7H27 V496H27-V494 HydrophobicContact CB-CG1 3.71Å; H27-V494 WeakPolarHBondContact CD2-CG1 3.34Å; V494-V496 PolarHBondContact O-N 3.34Å
495E83.7Confident90Very high123 Ų12336.8 Ų36.858%0.57519%0.194SC*.PPolyproline II helixtrans-62.9132.8179.7-168.9163.2-176.600111
496V84.9Confident89.7Confident40 Ų4039.2 Ų39.224%0.24221%0.21CC..  trans-118.8132.5176.7-178.90000107.7V494 D498 H555 S573V494-V496 PolarHBondContact O-N 3.34Å; V496-D498 PolarHBondContact O-N 2.89Å; V496-H555 HydrophobicContact CG1-CB 4.21Å; V496-S573 PolarHBondContact O-OG 3.29Å
497D84.1Confident89.5Confident107 Ų10744.9 Ų44.957%0.57224%0.24SC*.  trans-53.9131.2178-17520.5000111.3A499D497-A499 PolarHBondContact OD1-N 3.03Å
498D86.6Confident89.2Confident26 Ų2650.2 Ų50.214%0.13926%0.261CS..  trans-99.2-9.5-173.266.12.8000113.5V496 H500 L501 I502 V527 N528 K530V496-D498 PolarHBondContact O-N 2.89Å; D498-H500 PolarHBondContact O-N 2.99Å; D498-L501 WeakPolarHBondContact O-CB 3.41Å; D498-L501 PolarHBondContact O-N 3.24Å; D498-L501 VanDerWaalsContact O-N 3.12Å; D498-I502 HydrophobicContact CB-CD1 4.36Å; D498-I502 VanDerWaalsContact O-CG1 3.27Å; D498-I502 WeakPolarHBondContact O-CG1 3.32Å; D498-I502 PolarHBondContact O-N 2.94Å; D498-V527 HydrophobicContact CB-CG1 4.46Å; D498-N528 WeakPolarHBondContact CB-ND2 3.39Å; D498-N528 PolarHBondContact OD2-ND2 3.38Å; D498-N528 VanDerWaalsContact OD2-ND2 3.11Å; D498-K530 IonicContact OD1-NZ 3.88Å; D498-K530 IonicContact OD2-NZ 2.73Å; D498-K530 PolarHBondContact OD2-NZ 3.48Å
499A87.8Confident88.9Confident52 Ų5255.5 Ų55.543%0.4328%0.282SS..Hα-helixtrans-57.1-53.4-177.800000112.7D497 L501 I502 E503D497-A499 PolarHBondContact OD1-N 3.03Å; A499-L501 VanDerWaalsContact C-N 3.26Å; A499-L501 PolarHBondContact O-N 2.96Å; A499-I502 PolarHBondContact O-N 3.36Å; A499-E503 PolarHBondContact O-N 3.5Å; A499-E503 VanDerWaalsContact O-N 3.14Å
500H88.2Confident88.8Confident141 Ų14156.8 Ų56.865%0.65329%0.29SS*.Hα-helixtrans-63.5-31.9177.4-70.5-69.1000112.9D498 L504D498-H500 PolarHBondContact O-N 2.99Å; H500-L504 WeakPolarHBondContact O-CB 3.43Å; H500-L504 PolarHBondContact O-N 3.35Å; H500-L504 VanDerWaalsContact O-N 3.14Å
501L89.3Confident88.8Confident13 Ų1360.3 Ų60.37%0.06831%0.305CS..Hα-helixtrans-70.9-42.2179.3-178.963.5000111D498 A499 L504 I505 V527 I554 V558 V571D498-L501 WeakPolarHBondContact O-CB 3.41Å; D498-L501 PolarHBondContact O-N 3.24Å; D498-L501 VanDerWaalsContact O-N 3.12Å; A499-L501 VanDerWaalsContact C-N 3.26Å; A499-L501 PolarHBondContact O-N 2.96Å; L501-L504 PolarHBondContact O-N 3.45Å; L501-I505 HydrophobicContact CD1-CD1 3.84Å; L501-I505 HydrophobicContact CD1-CG1 4.34Å; L501-I505 HydrophobicContact CG-CD1 3.75Å; L501-I505 WeakPolarHBondContact O-CD1 3.48Å; L501-I505 VanDerWaalsContact O-CG1 3.25Å; L501-I505 WeakPolarHBondContact O-CG1 3.45Å; L501-I505 PolarHBondContact O-N 2.95Å; L501-V527 HydrophobicContact CD2-CG1 4.24Å; L501-I554 HydrophobicContact CD1-CD1 4.22Å; L501-I554 HydrophobicContact CD1-CG2 4.09Å; L501-V558 HydrophobicContact CD1-CG1 4.25Å; L501-V558 HydrophobicContact CD2-CG1 3.98Å; L501-V558 HydrophobicContact CD2-CG2 4.19Å; L501-V571 HydrophobicContact CD2-CG1 3.99Å
502I90.2Very high88.7Confident33 Ų3362.1 Ų62.117%0.16932%0.317CS..Hα-helixtrans-63-45.8177.3-68.8165.4000110.5D498 A499 L504 I505 S506 V527 K530 I532D498-I502 HydrophobicContact CB-CD1 4.36Å; D498-I502 VanDerWaalsContact O-CG1 3.27Å; D498-I502 WeakPolarHBondContact O-CG1 3.32Å; D498-I502 PolarHBondContact O-N 2.94Å; A499-I502 PolarHBondContact O-N 3.36Å; I502-L504 VanDerWaalsContact C-N 3.34Å; I502-L504 PolarHBondContact O-N 3.37Å; I502-I505 PolarHBondContact O-N 2.88Å; I502-S506 WeakPolarHBondContact O-CB 3.46Å; I502-S506 PolarHBondContact O-N 2.85Å; I502-S506 PolarHBondContact O-OG 3.3Å; I502-V527 HydrophobicContact CD1-CG1 4.45Å; I502-V527 HydrophobicContact CG1-CB 4.11Å; I502-V527 HydrophobicContact CG1-CG1 3.83Å; I502-V527 HydrophobicContact CG1-CG2 4.35Å; I502-K530 HydrophobicContact CD1-CD 4.35Å; I502-I532 HydrophobicContact CD1-CD1 4.23Å; I502-I532 HydrophobicContact CG1-CD1 4.12Å; I502-I532 HydrophobicContact CG1-CG1 4.49Å; I502-I532 HydrophobicContact CG2-CD1 3.76Å; I502-I532 HydrophobicContact CG2-CG1 4.28Å; I502-I532 HydrophobicContact CG2-CG2 4.22Å
503E90.3Very high88.5Confident127 Ų12763.4 Ų63.459%0.59332%0.324SS*.Hα-helixtrans-58.6-46.5177.1-173.7-177.5-178.100111.2A499 S506 N507A499-E503 PolarHBondContact O-N 3.5Å; A499-E503 VanDerWaalsContact O-N 3.14Å; E503-S506 PolarHBondContact O-N 3.29Å; E503-N507 PolarHBondContact O-ND2 3.48Å
504L89.3Confident88.1Confident46 Ų4672.2 Ų72.224%0.24136%0.358CS..Hα-helixtrans-62.1-48179.4-172.8150.9000111.8H500 L501 I502 S506 N507 Y508 L548 I554H500-L504 WeakPolarHBondContact O-CB 3.43Å; H500-L504 PolarHBondContact O-N 3.35Å; H500-L504 VanDerWaalsContact O-N 3.14Å; L501-L504 PolarHBondContact O-N 3.45Å; I502-L504 VanDerWaalsContact C-N 3.34Å; I502-L504 PolarHBondContact O-N 3.37Å; L504-S506 VanDerWaalsContact C-N 3.3Å; L504-S506 PolarHBondContact O-N 2.71Å; L504-N507 PolarHBondContact O-N 2.97Å; L504-Y508 HydrophobicContact CD2-CD2 4.1Å; L504-Y508 HydrophobicContact CD2-CE2 4.19Å; L504-Y508 HydrophobicContact CG-CE2 4.25Å; L504-Y508 WeakPolarHBondContact O-CD2 3.27Å; L504-L548 HydrophobicContact CD1-CD1 4.4Å; L504-L548 HydrophobicContact CD2-CD1 3.69Å; L504-I554 HydrophobicContact CD1-CD1 4.41Å; L504-I554 HydrophobicContact CD1-CG1 4.32Å; L504-I554 HydrophobicContact CD2-CD1 4.1Å
505I89.3Confident88Confident1 Ų174.8 Ų74.81%0.00537%0.368CS..Hα-helixtrans-65.9-36-177.4-67.9163.2000111.3L501 I502 N507 Y508 T510 I525 V527 I545 V571L501-I505 HydrophobicContact CD1-CD1 3.84Å; L501-I505 HydrophobicContact CD1-CG1 4.34Å; L501-I505 HydrophobicContact CG-CD1 3.75Å; L501-I505 WeakPolarHBondContact O-CD1 3.48Å; L501-I505 VanDerWaalsContact O-CG1 3.25Å; L501-I505 WeakPolarHBondContact O-CG1 3.45Å; L501-I505 PolarHBondContact O-N 2.95Å; I502-I505 PolarHBondContact O-N 2.88Å; I505-N507 PolarHBondContact O-N 2.99Å; I505-N507 VanDerWaalsContact O-N 3.17Å; I505-Y508 PolarHBondContact O-N 3.07Å; I505-Y508 VanDerWaalsContact O-N 3.16Å; I505-T510 PolarHBondContact O-OG1 3.26Å; I505-I525 HydrophobicContact CG2-CG2 4.13Å; I505-V527 HydrophobicContact CD1-CG2 3.82Å; I505-I545 HydrophobicContact CG1-CD1 4.48Å; I505-V571 HydrophobicContact CD1-CB 4.09Å; I505-V571 HydrophobicContact CD1-CG1 3.88Å; I505-V571 HydrophobicContact CD1-CG2 3.99Å
506S88.9Confident88.2Confident50 Ų5070 Ų7035%0.3535%0.346SS..Hα-helixtrans-60.4-26.6179.6-59.80000112.4I502 E503 L504 I532I502-S506 WeakPolarHBondContact O-CB 3.46Å; I502-S506 PolarHBondContact O-N 2.85Å; I502-S506 PolarHBondContact O-OG 3.3Å; E503-S506 PolarHBondContact O-N 3.29Å; L504-S506 VanDerWaalsContact C-N 3.3Å; L504-S506 PolarHBondContact O-N 2.71Å; S506-I532 WeakPolarHBondContact OG-CG2 3.46Å
507N89.5Confident88.1Confident122 Ų12277.3 Ų77.365%0.65237%0.369SS*.THydrogen-bonded Turntrans-83-16-179.5-67.2-31.9000114.4E503 L504 I505E503-N507 PolarHBondContact O-ND2 3.48Å; L504-N507 PolarHBondContact O-N 2.97Å; I505-N507 PolarHBondContact O-N 2.99Å; I505-N507 VanDerWaalsContact O-N 3.17Å
508Y88.2Confident88.1Confident112 Ų11273 Ų7344%0.43935%0.345SS..SBendtrans-121.3115.8-172.9-65.4-73.2000112.8L504 I505 T510 L544L504-Y508 HydrophobicContact CD2-CD2 4.1Å; L504-Y508 HydrophobicContact CD2-CE2 4.19Å; L504-Y508 HydrophobicContact CG-CE2 4.25Å; L504-Y508 WeakPolarHBondContact O-CD2 3.27Å; I505-Y508 PolarHBondContact O-N 3.07Å; I505-Y508 VanDerWaalsContact O-N 3.16Å; Y508-T510 PolarHBondContact O-N 3.47Å; Y508-T510 PolarHBondContact O-OG1 2.93Å; Y508-T510 VanDerWaalsContact O-OG1 3.12Å; Y508-L544 HydrophobicContact CD1-CD2 3.8Å; Y508-L544 HydrophobicContact CD2-CD2 4.18Å; Y508-L544 HydrophobicContact CG-CD2 3.6Å
509Y86Confident88.1Confident113 Ų11374 Ų7444%0.44336%0.357SS..SBendtrans52.223.3174.9-59.3-76.8000115.2T535 L544Y509-T535 WeakPolarHBondContact O-CB 3.3Å; Y509-T535 PolarHBondContact O-OG1 3.47Å; Y509-L544 HydrophobicContact CD2-CD2 4.36Å; Y509-L544 HydrophobicContact CE2-CD2 4.4Å
510T91.2Very high87.9Confident27 Ų2780.1 Ų80.117%0.16637%0.374CS..  trans-110.6127-177.4-60.50000109.4I505 Y508 I525I505-T510 PolarHBondContact O-OG1 3.26Å; Y508-T510 PolarHBondContact O-N 3.47Å; Y508-T510 PolarHBondContact O-OG1 2.93Å; Y508-T510 VanDerWaalsContact O-OG1 3.12Å; T510-I525 HydrophobicContact CG2-CD1 3.91Å; T510-I525 WeakPolarHBondContact OG1-CD1 3.31Å
511F92.6Very high87.8Confident81 Ų8179 Ų7936%0.35537%0.372SS..BIsolated β-bridgetrans-110150.1174.9-61.3-81.4000109.7G533 F534 Q536F511-G533 CarbonylContact O-C 3.6Å; F511-G533 WeakPolarHBondContact O-CA 3.47Å; F511-F534 HydrophobicContact CB-CD1 3.88Å; F511-F534 HydrophobicContact CB-CD2 4.27Å; F511-F534 HydrophobicContact CB-CE1 3.43Å; F511-F534 VanDerWaalsContact CB-CE1 3.43Å; F511-F534 HydrophobicContact CB-CE2 3.86Å; F511-F534 HydrophobicContact CB-CG 4.28Å; F511-F534 HydrophobicContact CB-CZ 3.42Å; F511-F534 VanDerWaalsContact CB-CZ 3.42Å; F511-F534 HydrophobicContact CD2-CE2 4.13Å; F511-F534 HydrophobicContact CD2-CZ 4.46Å; F511-F534 HydrophobicContact CG-CE2 4.25Å; F511-F534 HydrophobicContact CG-CZ 4.11Å; F511-F534 PolarHBondContact N-O 3.32Å; F511-F534 WeakPolarHBondContact O-CD1 3.25Å; F511-F534 PolarHBondContact O-N 2.88Å; F511-Q536 HydrophobicContact CE2-CG 4.28Å
512P90.9Very high87.9Confident48 Ų4879 Ų7931%0.31237%0.372SS..  trans-73.2140.6-175.230.9-36.2000112Y514 Q515 F534P512-Y514 VanDerWaalsContact C-N 3.26Å; P512-Y514 HydrophobicContact CB-CD1 3.75Å; P512-Y514 HydrophobicContact CB-CE1 3.35Å; P512-Y514 HydrophobicContact CG-CD1 4.14Å; P512-Y514 HydrophobicContact CG-CE1 3.45Å; P512-Y514 VanDerWaalsContact CG-CE1 3.45Å; P512-Y514 PolarHBondContact O-N 2.99Å; P512-Q515 HydrophobicContact CG-CG 4.05Å; P512-Q515 PolarHBondContact O-N 2.81Å; P512-F534 VanDerWaalsContact O-CE1 3.22Å; P512-F534 WeakPolarHBondContact O-CE1 3.35Å
513L87.3Confident88.1Confident29 Ų2979.3 Ų79.315%0.15237%0.371CS..G310 helixtrans-54.3-33.1-170.7-67.3171000115.3F322 Q515 M516 V524 P531 G533F322-L513 HydrophobicContact CD1-CD1 4.07Å; F322-L513 HydrophobicContact CD1-CD2 4.45Å; F322-L513 HydrophobicContact CE1-CD1 4.24Å; F322-L513 HydrophobicContact CE1-CD2 3.83Å; F322-L513 HydrophobicContact CE2-CD2 4.49Å; F322-L513 HydrophobicContact CZ-CD2 3.84Å; L513-Q515 PolarHBondContact O-N 2.87Å; L513-Q515 VanDerWaalsContact O-N 3.16Å; L513-M516 VanDerWaalsContact O-CB 3.23Å; L513-M516 WeakPolarHBondContact O-CB 3.38Å; L513-M516 PolarHBondContact O-N 2.9Å; L513-M516 VanDerWaalsContact O-N 3.09Å; L513-V524 HydrophobicContact CD2-CG1 4.34Å; L513-P531 HydrophobicContact CD1-CB 3.84Å; L513-P531 HydrophobicContact CD1-CG 4.35Å; L513-G533 VanDerWaalsContact CD2-C 3.46Å; L513-G533 WeakPolarHBondContact CD2-O 3.19Å
514Y84Confident88.3Confident188 Ų18873.3 Ų73.374%0.73734%0.343SS*.G310 helixtrans-66.2-15.7-178.768.7-94.6000113.8P512P512-Y514 VanDerWaalsContact C-N 3.26Å; P512-Y514 HydrophobicContact CB-CD1 3.75Å; P512-Y514 HydrophobicContact CB-CE1 3.35Å; P512-Y514 HydrophobicContact CG-CD1 4.14Å; P512-Y514 HydrophobicContact CG-CE1 3.45Å; P512-Y514 VanDerWaalsContact CG-CE1 3.45Å; P512-Y514 PolarHBondContact O-N 2.99Å
515Q86.6Confident88.5Confident92 Ų9271.1 Ų71.143%0.4333%0.332SS..G310 helixtrans-90.4-4.8176.2-61.6179.6-5.700113.2P512 L513 F534P512-Q515 HydrophobicContact CG-CG 4.05Å; P512-Q515 PolarHBondContact O-N 2.81Å; L513-Q515 PolarHBondContact O-N 2.87Å; L513-Q515 VanDerWaalsContact O-N 3.16Å; Q515-F534 HydrophobicContact CB-CE1 3.94Å; Q515-F534 HydrophobicContact CB-CZ 4.18Å
516M86.1Confident88.7Confident22 Ų2271.4 Ų71.411%0.10833%0.333CS..  trans-67.5133-175.3-170.5178.7179.300111.2F322 L513 Y518 E522 V524 F534F322-M516 HydrophobicContact CE2-SD 4.09Å; F322-M516 HydrophobicContact CZ-SD 3.88Å; L513-M516 VanDerWaalsContact O-CB 3.23Å; L513-M516 WeakPolarHBondContact O-CB 3.38Å; L513-M516 PolarHBondContact O-N 2.9Å; L513-M516 VanDerWaalsContact O-N 3.09Å; M516-Y518 HydrophobicContact CE-CD1 3.79Å; M516-Y518 HydrophobicContact CE-CE1 4Å; M516-Y518 HydrophobicContact CE-CG 4.34Å; M516-Y518 HydrophobicContact SD-CE1 4.4Å; M516-E522 HydrophobicContact CE-CB 4.43Å; M516-V524 HydrophobicContact CE-CG2 3.49Å; M516-V524 VanDerWaalsContact CE-CG2 3.49Å; M516-V524 HydrophobicContact SD-CG2 3.7Å; M516-F534 HydrophobicContact CB-CD1 3.82Å; M516-F534 HydrophobicContact CB-CE1 4.02Å; M516-F534 HydrophobicContact CB-CG 4.25Å; M516-F534 HydrophobicContact CG-CB 4.45Å; M516-F534 HydrophobicContact CG-CD1 4.31Å; M516-F534 HydrophobicContact CG-CG 4.23Å; M516-F534 HydrophobicContact SD-CB 4.26Å
517R84.1Confident88.9Confident194 Ų19469 Ų6973%0.73232%0.316SS*.  trans-113.93.5-179.8-65.2-176178.2-177.6-0.7113.5T234 A519 E522T234-R517 PolarHBondContact OG1-O 3.09Å; R517-A519 PolarHBondContact O-N 2.86Å; R517-E522 WeakPolarHBondContact CA-OE2 3.42Å; R517-E522 PolarHBondContact N-OE2 2.86Å
518Y84.2Confident88.9Confident17 Ų1764.3 Ų64.37%0.06729%0.291CS..  trans6033.1-174.7-62.4-89.2000112.9Q230 L231 T234 Q326 M516 E522Q230-Y518 WeakPolarHBondContact O-CE2 3.36Å; L231-Y518 PolarHBondContact O-OH 3.47Å; T234-Y518 HydrophobicContact CG2-CD2 4.44Å; Q326-Y518 VanDerWaalsContact NE2-CE1 3.31Å; Q326-Y518 PolarHBondContact NE2-OH 3.43Å; M516-Y518 HydrophobicContact CE-CD1 3.79Å; M516-Y518 HydrophobicContact CE-CE1 4Å; M516-Y518 HydrophobicContact CE-CG 4.34Å; M516-Y518 HydrophobicContact SD-CE1 4.4Å; Y518-E522 PolarHBondContact N-OE2 3.33Å
519A85.1Confident88.9Confident47 Ų4759.5 Ų59.539%0.38828%0.276SS..  trans-66.2155.1173.800000110.7R517 N521 E522R517-A519 PolarHBondContact O-N 2.86Å; A519-N521 PolarHBondContact O-N 2.98Å; A519-E522 HydrophobicContact CB-CG 3.99Å; A519-E522 PolarHBondContact N-OE2 3.4Å; A519-E522 VanDerWaalsContact N-OE2 3.08Å; A519-E522 PolarHBondContact O-N 2.79Å
520K83.8Confident89.2Confident180 Ų18055.7 Ų55.778%0.78326%0.261SS*.THydrogen-bonded Turntrans-54.2-28.6-176.6-70.7-174.4179.5179.70114.5Q567K520-Q567 PolarHBondContact O-NE2 3.1Å; K520-Q567 VanDerWaalsContact O-NE2 3.09Å
521N87.4Confident89.2Confident116 Ų11655 Ų5562%0.6226%0.257SS*.THydrogen-bonded Turntrans-95-3.3-178.6-64-8.1000113.6A519 Q536A519-N521 PolarHBondContact O-N 2.98Å; N521-Q536 WeakPolarHBondContact O-CA 3.47Å
522E91.4Very high89.1Confident15 Ų1553.1 Ų53.17%0.0725%0.25CS..  trans-91.3117.3-178.7-70.3177167.900110.5M516 R517 Y518 A519 F534 Q536M516-E522 HydrophobicContact CE-CB 4.43Å; R517-E522 WeakPolarHBondContact CA-OE2 3.42Å; R517-E522 PolarHBondContact N-OE2 2.86Å; Y518-E522 PolarHBondContact N-OE2 3.33Å; A519-E522 HydrophobicContact CB-CG 3.99Å; A519-E522 PolarHBondContact N-OE2 3.4Å; A519-E522 VanDerWaalsContact N-OE2 3.08Å; A519-E522 PolarHBondContact O-N 2.79Å; E522-F534 HydrophobicContact CB-CD2 4.11Å; E522-F534 HydrophobicContact CG-CD2 3.97Å; E522-F534 HydrophobicContact CG-CE2 3.93Å; E522-Q536 HydrophobicContact CG-CG 4.25Å
523Y93.6Very high89.2Confident38 Ų3850.8 Ų50.815%0.14924%0.236CC..EExtended strand (participates in β ladder)trans-113.1130.2-178.5-77.1-117.9000110.8F534 T535 P538 I562 Q567 V569Y523-F534 CarbonylContact O-C 3.48Å; Y523-F534 WeakPolarHBondContact O-CA 3.43Å; Y523-F534 WeakPolarHBondContact O-CB 3.39Å; Y523-T535 PolarHBondContact N-O 2.83Å; Y523-T535 PolarHBondContact O-N 2.94Å; Y523-P538 HydrophobicContact CD1-CB 4.18Å; Y523-P538 HydrophobicContact CD1-CG 4.27Å; Y523-P538 HydrophobicContact CD2-CB 4.39Å; Y523-P538 HydrophobicContact CD2-CG 3.8Å; Y523-P538 HydrophobicContact CE1-CG 4.41Å; Y523-P538 HydrophobicContact CE2-CG 3.99Å; Y523-P538 HydrophobicContact CG-CB 4.06Å; Y523-P538 HydrophobicContact CG-CG 3.98Å; Y523-I562 HydrophobicContact CD1-CG2 4Å; Y523-I562 HydrophobicContact CE1-CG2 3.67Å; Y523-Q567 CarbonylContact C-O 3.59Å; Y523-Q567 WeakPolarHBondContact CA-O 3.49Å; Y523-Q567 HydrophobicContact CD1-CB 4.31Å; Y523-Q567 HydrophobicContact CE1-CB 4.35Å; Y523-Q567 HydrophobicContact CG-CB 4.43Å; Y523-V569 HydrophobicContact CD1-CG2 4.41Å
524V94Very high89.5Confident2 Ų249.6 Ų49.61%0.01223%0.229CC..EExtended strand (participates in β ladder)trans-72.2132.3175.2-174.20000110.1F322 L513 M516 Y526 Q567 C568 V569F322-V524 HydrophobicContact CE1-CG1 4.03Å; F322-V524 HydrophobicContact CE1-CG2 4.5Å; F322-V524 HydrophobicContact CZ-CG1 4.32Å; F322-V524 HydrophobicContact CZ-CG2 4.06Å; L513-V524 HydrophobicContact CD2-CG1 4.34Å; M516-V524 HydrophobicContact CE-CG2 3.49Å; M516-V524 VanDerWaalsContact CE-CG2 3.49Å; M516-V524 HydrophobicContact SD-CG2 3.7Å; V524-Y526 HydrophobicContact CB-CE2 3.96Å; V524-Y526 HydrophobicContact CG1-CD2 4.14Å; V524-Y526 HydrophobicContact CG1-CE1 4.24Å; V524-Y526 HydrophobicContact CG1-CE2 3.66Å; V524-Q567 PolarHBondContact N-O 3.13Å; V524-C568 HydrophobicContact CB-CB 4.36Å; V524-C568 CarbonylContact O-C 3.58Å; V524-C568 WeakPolarHBondContact O-CA 3.18Å; V524-C568 WeakPolarHBondContact O-CB 3.44Å; V524-V569 PolarHBondContact O-N 3.02Å
525I94.8Very high90Very high0 Ų040.7 Ų40.70%019%0.194CC..EExtended strand (participates in β ladder)trans-95.6118.8174.7-58.2162.5000109.3I505 T510 I532 G533 T535 L541 V569I505-I525 HydrophobicContact CG2-CG2 4.13Å; T510-I525 HydrophobicContact CG2-CD1 3.91Å; T510-I525 WeakPolarHBondContact OG1-CD1 3.31Å; I525-I532 PolarHBondContact O-N 2.9Å; I525-I532 VanDerWaalsContact O-N 3.07Å; I525-G533 PolarHBondContact N-O 3.16Å; I525-T535 HydrophobicContact CD1-CG2 4.21Å; I525-T535 HydrophobicContact CG1-CG2 4.12Å; I525-L541 HydrophobicContact CD1-CD2 3.64Å; I525-L541 HydrophobicContact CG1-CD2 4.01Å; I525-V569 WeakPolarHBondContact CA-O 3.3Å; I525-V569 HydrophobicContact CG1-CB 4.47Å
526Y93.9Very high90.3Very high6 Ų640.3 Ų40.32%0.02419%0.192CC..EExtended strand (participates in β ladder)trans-107.5130.4172.3-68.5-77.6000110.8F323 V524 K530 P531 C568 V569 H570 V571F323-Y526 HydrophobicContact CD2-CE1 4.05Å; F323-Y526 AromaticContact CE2-CE1 3.97Å; F323-Y526 HydrophobicContact CE2-CE1 3.97Å; V524-Y526 HydrophobicContact CB-CE2 3.96Å; V524-Y526 HydrophobicContact CG1-CD2 4.14Å; V524-Y526 HydrophobicContact CG1-CE1 4.24Å; V524-Y526 HydrophobicContact CG1-CE2 3.66Å; Y526-K530 WeakPolarHBondContact CA-O 3.33Å; Y526-P531 HydrophobicContact CD1-CB 4.13Å; Y526-P531 HydrophobicContact CE1-CB 3.9Å; Y526-C568 HydrophobicContact CD2-CB 3.88Å; Y526-C568 HydrophobicContact CE2-CB 3.8Å; Y526-V569 PolarHBondContact N-O 3.17Å; Y526-H570 AromaticContact CD2-CE1 3.59Å; Y526-H570 AromaticContact CD2-ND1 3.99Å; Y526-H570 AromaticContact CG-CE1 3.98Å; Y526-V571 PolarHBondContact O-N 3.35Å
527V92.5Very high90.6Very high0 Ų043.4 Ų43.40%021%0.206CC..EExtended strand (participates in β ladder)trans-112113168.4-176.30000108.6D498 L501 I502 I505 G529 K530 I532 V571D498-V527 HydrophobicContact CB-CG1 4.46Å; L501-V527 HydrophobicContact CD2-CG1 4.24Å; I502-V527 HydrophobicContact CD1-CG1 4.45Å; I502-V527 HydrophobicContact CG1-CB 4.11Å; I502-V527 HydrophobicContact CG1-CG1 3.83Å; I502-V527 HydrophobicContact CG1-CG2 4.35Å; I505-V527 HydrophobicContact CD1-CG2 3.82Å; V527-G529 PolarHBondContact O-N 3.07Å; V527-K530 PolarHBondContact N-O 2.8Å; V527-K530 VanDerWaalsContact O-CB 3.3Å; V527-K530 WeakPolarHBondContact O-CB 3.47Å; V527-K530 PolarHBondContact O-N 3.41Å; V527-I532 HydrophobicContact CB-CG1 3.99Å; V527-I532 HydrophobicContact CG2-CG1 3.65Å; V527-V571 VanDerWaalsContact CA-O 3.3Å; V527-V571 WeakPolarHBondContact CA-O 3.48Å; V527-V571 HydrophobicContact CG2-CB 4.31Å
528N89.7Confident91Very high24 Ų2435.1 Ų35.113%0.12818%0.178CC..THydrogen-bonded Turntrans5030.6-175-62.1-30.7000114.9D498 V571 S573 D574D498-N528 WeakPolarHBondContact CB-ND2 3.39Å; D498-N528 PolarHBondContact OD2-ND2 3.38Å; D498-N528 VanDerWaalsContact OD2-ND2 3.11Å; N528-V571 PolarHBondContact N-O 3.29Å; N528-V571 VanDerWaalsContact N-O 3.09Å; N528-S573 PolarHBondContact ND2-OG 3.27Å; N528-S573 PolarHBondContact OD1-N 3.11Å; N528-D574 PolarHBondContact OD1-N 3.04Å
529G88.7Confident91.3Very high11 Ų1136.1 Ų36.111%0.11319%0.194CC..THydrogen-bonded Turntrans90.3-13.6-17600000115.1N164 F323 V527N164-G529 VanDerWaalsContact O-CA 3.27Å; N164-G529 WeakPolarHBondContact O-CA 3.32Å; F323-G529 VanDerWaalsContact CE2-O 3.27Å; F323-G529 WeakPolarHBondContact CE2-O 3.39Å; V527-G529 PolarHBondContact O-N 3.07Å
530K90.7Very high91.7Very high33 Ų3339.8 Ų39.814%0.14320%0.201CC..EExtended strand (participates in β ladder)trans-75.2124.2174.1-55.7177.4-172.4174.80109.5E311 D498 I502 Y526 V527 I532E311-K530 IonicContact OE1-NZ 2.56Å; E311-K530 PolarHBondContact OE1-NZ 2.91Å; D498-K530 IonicContact OD1-NZ 3.88Å; D498-K530 IonicContact OD2-NZ 2.73Å; D498-K530 PolarHBondContact OD2-NZ 3.48Å; I502-K530 HydrophobicContact CD1-CD 4.35Å; Y526-K530 WeakPolarHBondContact CA-O 3.33Å; V527-K530 PolarHBondContact N-O 2.8Å; V527-K530 VanDerWaalsContact O-CB 3.3Å; V527-K530 WeakPolarHBondContact O-CB 3.47Å; V527-K530 PolarHBondContact O-N 3.41Å; K530-I532 HydrophobicContact CB-CD1 4.14Å; K530-I532 PolarHBondContact O-N 3.34Å
531P91.7Very high92.1Very high12 Ų1231.3 Ų31.38%0.07816%0.164CC..EExtended strand (participates in β ladder)trans-77.3117.8174.731.7-32.9000109.6F322 F323 L513 Y526F322-P531 HydrophobicContact CD1-CB 4.18Å; F322-P531 HydrophobicContact CD1-CG 4.44Å; F322-P531 HydrophobicContact CE1-CB 4.24Å; F323-P531 HydrophobicContact CD2-CG 4.2Å; L513-P531 HydrophobicContact CD1-CB 3.84Å; L513-P531 HydrophobicContact CD1-CG 4.35Å; Y526-P531 HydrophobicContact CD1-CB 4.13Å; Y526-P531 HydrophobicContact CE1-CB 3.9Å
532I90.9Very high92.4Very high41 Ų4125.8 Ų25.821%0.2113%0.134CC..EExtended strand (participates in β ladder)trans-100-42.1-176.1-56.6-53.8000111.6I502 S506 I525 V527 K530I502-I532 HydrophobicContact CD1-CD1 4.23Å; I502-I532 HydrophobicContact CG1-CD1 4.12Å; I502-I532 HydrophobicContact CG1-CG1 4.49Å; I502-I532 HydrophobicContact CG2-CD1 3.76Å; I502-I532 HydrophobicContact CG2-CG1 4.28Å; I502-I532 HydrophobicContact CG2-CG2 4.22Å; S506-I532 WeakPolarHBondContact OG-CG2 3.46Å; I525-I532 PolarHBondContact O-N 2.9Å; I525-I532 VanDerWaalsContact O-N 3.07Å; V527-I532 HydrophobicContact CB-CG1 3.99Å; V527-I532 HydrophobicContact CG2-CG1 3.65Å; K530-I532 HydrophobicContact CB-CD1 4.14Å; K530-I532 PolarHBondContact O-N 3.34Å
533G92Very high92.4Very high0 Ų030 Ų300%016%0.161CC..EExtended strand (participates in β ladder)trans-174.6-170.6-173.400000111.2F511 L513 I525F511-G533 CarbonylContact O-C 3.6Å; F511-G533 WeakPolarHBondContact O-CA 3.47Å; L513-G533 VanDerWaalsContact CD2-C 3.46Å; L513-G533 WeakPolarHBondContact CD2-O 3.19Å; I525-G533 PolarHBondContact N-O 3.16Å
534F93.8Very high92.4Very high4 Ų430.7 Ų30.72%0.01817%0.167CC..EExtended strand (participates in β ladder)trans-126.6159.5170.574.8-86.4000111F511 P512 Q515 M516 E522 Y523 Q536F511-F534 HydrophobicContact CB-CD1 3.88Å; F511-F534 HydrophobicContact CB-CD2 4.27Å; F511-F534 HydrophobicContact CB-CE1 3.43Å; F511-F534 VanDerWaalsContact CB-CE1 3.43Å; F511-F534 HydrophobicContact CB-CE2 3.86Å; F511-F534 HydrophobicContact CB-CG 4.28Å; F511-F534 HydrophobicContact CB-CZ 3.42Å; F511-F534 VanDerWaalsContact CB-CZ 3.42Å; F511-F534 HydrophobicContact CD2-CE2 4.13Å; F511-F534 HydrophobicContact CD2-CZ 4.46Å; F511-F534 HydrophobicContact CG-CE2 4.25Å; F511-F534 HydrophobicContact CG-CZ 4.11Å; F511-F534 PolarHBondContact N-O 3.32Å; F511-F534 WeakPolarHBondContact O-CD1 3.25Å; F511-F534 PolarHBondContact O-N 2.88Å; P512-F534 VanDerWaalsContact O-CE1 3.22Å; P512-F534 WeakPolarHBondContact O-CE1 3.35Å; Q515-F534 HydrophobicContact CB-CE1 3.94Å; Q515-F534 HydrophobicContact CB-CZ 4.18Å; M516-F534 HydrophobicContact CB-CD1 3.82Å; M516-F534 HydrophobicContact CB-CE1 4.02Å; M516-F534 HydrophobicContact CB-CG 4.25Å; M516-F534 HydrophobicContact CG-CB 4.45Å; M516-F534 HydrophobicContact CG-CD1 4.31Å; M516-F534 HydrophobicContact CG-CG 4.23Å; M516-F534 HydrophobicContact SD-CB 4.26Å; E522-F534 HydrophobicContact CB-CD2 4.11Å; E522-F534 HydrophobicContact CG-CD2 3.97Å; E522-F534 HydrophobicContact CG-CE2 3.93Å; Y523-F534 CarbonylContact O-C 3.48Å; Y523-F534 WeakPolarHBondContact O-CA 3.43Å; Y523-F534 WeakPolarHBondContact O-CB 3.39Å; F534-Q536 HydrophobicContact CE2-CG 4.37Å
535T94.3Very high92.4Very high0 Ų030.7 Ų30.70%017%0.167CC..EExtended strand (participates in β ladder)trans-129.1145.9175.9-171.90000111.3Y509 Y523 I525 H537 P538 L541 V569Y509-T535 WeakPolarHBondContact O-CB 3.3Å; Y509-T535 PolarHBondContact O-OG1 3.47Å; Y523-T535 PolarHBondContact N-O 2.83Å; Y523-T535 PolarHBondContact O-N 2.94Å; I525-T535 HydrophobicContact CD1-CG2 4.21Å; I525-T535 HydrophobicContact CG1-CG2 4.12Å; T535-H537 PolarHBondContact OG1-N 3.29Å; T535-H537 VanDerWaalsContact OG1-N 3.14Å; T535-P538 HydrophobicContact CG2-CB 4.2Å; T535-L541 HydrophobicContact CG2-CD2 4.02Å; T535-V569 HydrophobicContact CG2-CG2 4.2Å
536Q93.2Very high92.3Very high85 Ų8532.9 Ų32.940%0.39718%0.175SC..SBendtrans-91.2-8.7170.3-64.4179.5-6.400112.4F511 N521 E522 F534F511-Q536 HydrophobicContact CE2-CG 4.28Å; N521-Q536 WeakPolarHBondContact O-CA 3.47Å; E522-Q536 HydrophobicContact CG-CG 4.25Å; F534-Q536 HydrophobicContact CE2-CG 4.37Å
537H92.4Very high92.2Very high86 Ų8634.3 Ų34.340%0.39819%0.191SC..  trans-131.863.9-172.9-61.8-38.6000111.7T535 G539 K540 L541T535-H537 PolarHBondContact OG1-N 3.29Å; T535-H537 VanDerWaalsContact OG1-N 3.14Å; H537-G539 VanDerWaalsContact C-N 3.33Å; H537-G539 PolarHBondContact O-N 3.44Å; H537-K540 HydrophobicContact CB-CB 4.26Å; H537-K540 HydrophobicContact CB-CD 4.38Å; H537-K540 PolarHBondContact O-N 3.12Å; H537-L541 PolarHBondContact O-N 3.2Å; H537-L541 VanDerWaalsContact O-N 3.14Å
538P92.7Very high92.2Very high20 Ų2035.8 Ų35.813%0.1320%0.199CC..Hα-helixtrans-58.5-41.7-173.625-35.9000112.7Y523 T535 K540 L541 C542 I562 V569Y523-P538 HydrophobicContact CD1-CB 4.18Å; Y523-P538 HydrophobicContact CD1-CG 4.27Å; Y523-P538 HydrophobicContact CD2-CB 4.39Å; Y523-P538 HydrophobicContact CD2-CG 3.8Å; Y523-P538 HydrophobicContact CE1-CG 4.41Å; Y523-P538 HydrophobicContact CE2-CG 3.99Å; Y523-P538 HydrophobicContact CG-CB 4.06Å; Y523-P538 HydrophobicContact CG-CG 3.98Å; T535-P538 HydrophobicContact CG2-CB 4.2Å; P538-K540 PolarHBondContact O-N 2.86Å; P538-L541 PolarHBondContact O-N 3.3Å; P538-C542 PolarHBondContact O-N 3.01Å; P538-C542 PolarHBondContact O-SG 3.25Å; P538-I562 HydrophobicContact CB-CD1 4.1Å; P538-V569 HydrophobicContact CB-CG2 3.6Å
539G91.6Very high92.4Very high39 Ų3935.1 Ų35.140%0.40220%0.195SC..Hα-helixtrans-62.3-43.3179.600000113.8H537 C542 V543H537-G539 VanDerWaalsContact C-N 3.33Å; H537-G539 PolarHBondContact O-N 3.44Å; G539-C542 PolarHBondContact O-N 3.46Å; G539-V543 WeakPolarHBondContact O-CG2 3.44Å; G539-V543 PolarHBondContact O-N 3.24Å
540K92.6Very high92.6Very high124 Ų12438 Ų3854%0.53920%0.203SC..Hα-helixtrans-65.7-40.9177.5-69.4-175.6179.5177.10111.3H537 P538 V543 L544H537-K540 HydrophobicContact CB-CB 4.26Å; H537-K540 HydrophobicContact CB-CD 4.38Å; H537-K540 PolarHBondContact O-N 3.12Å; P538-K540 PolarHBondContact O-N 2.86Å; K540-V543 PolarHBondContact O-N 3.13Å; K540-L544 WeakPolarHBondContact O-CB 3.29Å; K540-L544 PolarHBondContact O-N 3.37Å
541L92.4Very high92.6Very high1 Ų139.8 Ų39.81%0.00522%0.219CC..Hα-helixtrans-61.4-46176.7-179.561.6000111.4I525 T535 H537 P538 V543 L544 I545I525-L541 HydrophobicContact CD1-CD2 3.64Å; I525-L541 HydrophobicContact CG1-CD2 4.01Å; T535-L541 HydrophobicContact CG2-CD2 4.02Å; H537-L541 PolarHBondContact O-N 3.2Å; H537-L541 VanDerWaalsContact O-N 3.14Å; P538-L541 PolarHBondContact O-N 3.3Å; L541-V543 PolarHBondContact O-N 3.06Å; L541-L544 PolarHBondContact O-N 3.12Å; L541-I545 HydrophobicContact CD1-CD1 4Å; L541-I545 HydrophobicContact CD1-CG1 4.34Å; L541-I545 HydrophobicContact CG-CD1 3.96Å; L541-I545 WeakPolarHBondContact O-CG1 3.46Å; L541-I545 PolarHBondContact O-N 3.42Å
542C93.2Very high92.4Very high1 Ų141.7 Ų41.71%0.00724%0.241CC..Hα-helixtrans-63-43.1177.6-640000112.4P538 G539 L544 I545 R546 V560 I562P538-C542 PolarHBondContact O-N 3.01Å; P538-C542 PolarHBondContact O-SG 3.25Å; G539-C542 PolarHBondContact O-N 3.46Å; C542-L544 VanDerWaalsContact C-N 3.33Å; C542-L544 PolarHBondContact O-N 2.89Å; C542-I545 PolarHBondContact O-N 3.09Å; C542-R546 WeakPolarHBondContact O-CB 3.4Å; C542-R546 VanDerWaalsContact O-CG 3.29Å; C542-R546 WeakPolarHBondContact O-CG 3.24Å; C542-R546 PolarHBondContact O-N 3.37Å; C542-V560 HydrophobicContact CB-CG2 4.19Å; C542-I562 HydrophobicContact CB-CD1 4.5Å; C542-I562 WeakPolarHBondContact SG-CG1 3.39Å
543V92.3Very high92.3Very high102 Ų10249.4 Ų49.462%0.61827%0.267SS*.Hα-helixtrans-62.2-41.5176.2172.20000111.2G539 K540 L541 R546 G547G539-V543 WeakPolarHBondContact O-CG2 3.44Å; G539-V543 PolarHBondContact O-N 3.24Å; K540-V543 PolarHBondContact O-N 3.13Å; L541-V543 PolarHBondContact O-N 3.06Å; V543-R546 PolarHBondContact O-N 2.85Å; V543-G547 PolarHBondContact O-N 3.38Å
544L93.2Very high92.2Very high53 Ų5350.2 Ų50.228%0.27727%0.271SS..Hα-helixtrans-61.2-50.2176.3-179.769.5000111.5Y508 Y509 K540 L541 C542 R546 G547 L548Y508-L544 HydrophobicContact CD1-CD2 3.8Å; Y508-L544 HydrophobicContact CD2-CD2 4.18Å; Y508-L544 HydrophobicContact CG-CD2 3.6Å; Y509-L544 HydrophobicContact CD2-CD2 4.36Å; Y509-L544 HydrophobicContact CE2-CD2 4.4Å; K540-L544 WeakPolarHBondContact O-CB 3.29Å; K540-L544 PolarHBondContact O-N 3.37Å; L541-L544 PolarHBondContact O-N 3.12Å; C542-L544 VanDerWaalsContact C-N 3.33Å; C542-L544 PolarHBondContact O-N 2.89Å; L544-R546 VanDerWaalsContact C-N 3.33Å; L544-R546 PolarHBondContact O-N 3.09Å; L544-G547 PolarHBondContact O-N 3.13Å; L544-G547 VanDerWaalsContact O-N 3.13Å; L544-L548 HydrophobicContact CG-CD1 4.29Å; L544-L548 WeakPolarHBondContact O-CG 3.01Å; L544-L548 PolarHBondContact O-N 3.02Å
545I93.2Very high92Very high3 Ų354.5 Ų54.52%0.01529%0.291CS..Hα-helixtrans-60.7-43.8179.8-67.8168.7000110.6I505 L541 C542 G547 L548 R549 V560 V571I505-I545 HydrophobicContact CG1-CD1 4.48Å; L541-I545 HydrophobicContact CD1-CD1 4Å; L541-I545 HydrophobicContact CD1-CG1 4.34Å; L541-I545 HydrophobicContact CG-CD1 3.96Å; L541-I545 WeakPolarHBondContact O-CG1 3.46Å; L541-I545 PolarHBondContact O-N 3.42Å; C542-I545 PolarHBondContact O-N 3.09Å; I545-G547 VanDerWaalsContact C-N 3.35Å; I545-G547 PolarHBondContact O-N 2.93Å; I545-L548 PolarHBondContact O-N 3.26Å; I545-R549 WeakPolarHBondContact O-CB 3.39Å; I545-R549 PolarHBondContact O-N 2.64Å; I545-V560 HydrophobicContact CB-CG1 4.3Å; I545-V560 HydrophobicContact CD1-CG2 4.14Å; I545-V560 HydrophobicContact CG2-CB 4.12Å; I545-V560 HydrophobicContact CG2-CG1 3.98Å; I545-V571 HydrophobicContact CD1-CG2 3.8Å
546R93.3Very high91.8Very high45 Ų4556.1 Ų56.117%0.1731%0.308CS..Hα-helixtrans-62.4-40.6174.9-70.1176.6-176.1142.98111.8C542 V543 L544 R549 R550 V560 E623 D626C542-R546 WeakPolarHBondContact O-CB 3.4Å; C542-R546 VanDerWaalsContact O-CG 3.29Å; C542-R546 WeakPolarHBondContact O-CG 3.24Å; C542-R546 PolarHBondContact O-N 3.37Å; V543-R546 PolarHBondContact O-N 2.85Å; L544-R546 VanDerWaalsContact C-N 3.33Å; L544-R546 PolarHBondContact O-N 3.09Å; R546-R549 WeakPolarHBondContact O-CB 3.43Å; R546-R549 PolarHBondContact O-N 3.26Å; R546-R550 WeakPolarHBondContact O-CB 3.5Å; R546-R550 VanDerWaalsContact O-CG 3.22Å; R546-R550 WeakPolarHBondContact O-CG 3.39Å; R546-R550 PolarHBondContact O-N 3.28Å; R546-V560 HydrophobicContact CG-CG1 3.71Å; R546-V560 PolarHBondContact NH2-O 3.4Å; R546-E623 IonicContact CZ-OE1 3.63Å; R546-E623 IonicContact NE-OE1 3.89Å; R546-E623 PolarHBondContact NE-OE1 2.65Å; R546-E623 IonicContact NH2-OE1 3.37Å; R546-D626 IonicContact NH2-OD2 3.69Å
547G92.5Very high91.7Very high36 Ų3653.2 Ų53.237%0.37129%0.294SS..Hα-helixtrans-62.8-41.917500000113.3V543 L544 I545 R550 S551V543-G547 PolarHBondContact O-N 3.38Å; L544-G547 PolarHBondContact O-N 3.13Å; L544-G547 VanDerWaalsContact O-N 3.13Å; I545-G547 VanDerWaalsContact C-N 3.35Å; I545-G547 PolarHBondContact O-N 2.93Å; G547-R550 PolarHBondContact O-N 3.48Å; G547-S551 WeakPolarHBondContact O-CB 3.39Å; G547-S551 PolarHBondContact O-N 3.47Å; G547-S551 PolarHBondContact O-OG 3.29Å
548L92.8Very high91.8Very high32 Ų3249.3 Ų49.317%0.16828%0.276CS..Hα-helixtrans-66.5-36.9174.9-68.9175.2000112.3L504 L544 I545 S551 G552 R553 I554L504-L548 HydrophobicContact CD1-CD1 4.4Å; L504-L548 HydrophobicContact CD2-CD1 3.69Å; L544-L548 HydrophobicContact CG-CD1 4.29Å; L544-L548 WeakPolarHBondContact O-CG 3.01Å; L544-L548 PolarHBondContact O-N 3.02Å; I545-L548 PolarHBondContact O-N 3.26Å; L548-S551 WeakPolarHBondContact CA-OG 3.44Å; L548-S551 PolarHBondContact O-OG 3.18Å; L548-S551 VanDerWaalsContact O-OG 3.11Å; L548-G552 PolarHBondContact O-N 3.01Å; L548-R553 HydrophobicContact CB-CB 4.44Å; L548-R553 HydrophobicContact CD2-CB 4.29Å; L548-R553 HydrophobicContact CD2-CG 4.38Å; L548-R553 WeakPolarHBondContact O-CB 3.5Å; L548-R553 PolarHBondContact O-N 3.27Å; L548-I554 HydrophobicContact CB-CD1 3.61Å; L548-I554 HydrophobicContact CB-CG1 3.99Å; L548-I554 HydrophobicContact CD1-CD1 3.97Å; L548-I554 HydrophobicContact CG-CD1 4.47Å; L548-I554 PolarHBondContact O-N 2.86Å
549R93.4Very high91.9Very high9 Ų948.4 Ų48.43%0.03427%0.271CS..Hα-helixtrans-63.6-50172.4-178.1177.370-162.21111.5I545 R546 S551 G552 V558 E617 E623I545-R549 WeakPolarHBondContact O-CB 3.39Å; I545-R549 PolarHBondContact O-N 2.64Å; R546-R549 WeakPolarHBondContact O-CB 3.43Å; R546-R549 PolarHBondContact O-N 3.26Å; R549-S551 VanDerWaalsContact C-N 3.27Å; R549-S551 PolarHBondContact O-N 3.14Å; R549-G552 PolarHBondContact O-N 3.37Å; R549-V558 WeakPolarHBondContact CD-O 3.28Å; R549-V558 PolarHBondContact NH1-O 3.29Å; R549-E617 IonicContact CZ-OE2 3.52Å; R549-E617 IonicContact NE-OE2 3.91Å; R549-E617 PolarHBondContact NE-OE2 3.1Å; R549-E617 VanDerWaalsContact NE-OE2 3.12Å; R549-E617 IonicContact NH2-OE1 3.69Å; R549-E617 PolarHBondContact NH2-OE1 3.34Å; R549-E617 IonicContact NH2-OE2 3.14Å; R549-E617 PolarHBondContact NH2-OE2 2.75Å; R549-E623 IonicContact CZ-OE1 3.4Å; R549-E623 IonicContact CZ-OE2 3.95Å; R549-E623 IonicContact NH1-OE1 3.56Å; R549-E623 PolarHBondContact NH1-OE1 2.99Å; R549-E623 IonicContact NH1-OE2 3.13Å; R549-E623 PolarHBondContact NH1-OE2 3Å; R549-E623 IonicContact NH2-OE1 2.79Å; R549-E623 PolarHBondContact NH2-OE1 3.36Å; R549-E623 IonicContact NH2-OE2 2.79Å
550R93.1Very high92Very high72 Ų7246.6 Ų46.627%0.27225%0.252SS..Hα-helixtrans-65.8-26.8-178.2-70.7169.4-177.1-172.1-3.5113.5R546 G547 G552 I584 G614 E617R546-R550 WeakPolarHBondContact O-CB 3.5Å; R546-R550 VanDerWaalsContact O-CG 3.22Å; R546-R550 WeakPolarHBondContact O-CG 3.39Å; R546-R550 PolarHBondContact O-N 3.28Å; G547-R550 PolarHBondContact O-N 3.48Å; R550-G552 VanDerWaalsContact C-N 3.32Å; R550-I584 HydrophobicContact CG-CD1 3.99Å; R550-G614 WeakPolarHBondContact O-CA 3.41Å; R550-G614 PolarHBondContact O-N 3.45Å; R550-E617 WeakPolarHBondContact CG-OE2 3.31Å; R550-E617 IonicContact CZ-OE1 3.49Å; R550-E617 IonicContact NE-OE1 3.57Å; R550-E617 PolarHBondContact NE-OE1 3.24Å; R550-E617 VanDerWaalsContact NE-OE1 3.15Å; R550-E617 IonicContact NE-OE2 2.66Å; R550-E617 PolarHBondContact NE-OE2 2.86Å; R550-E617 VanDerWaalsContact NE-OE2 3.15Å; R550-E617 IonicContact NH2-OE1 2.87Å; R550-E617 PolarHBondContact NH2-OE1 2.99Å
551S90.8Very high92.1Very high70 Ų7041.1 Ų41.149%0.4923%0.228SC..THydrogen-bonded Turntrans-86.41.4173.455.60000113.9G547 L548 R549 R553G547-S551 WeakPolarHBondContact O-CB 3.39Å; G547-S551 PolarHBondContact O-N 3.47Å; G547-S551 PolarHBondContact O-OG 3.29Å; L548-S551 WeakPolarHBondContact CA-OG 3.44Å; L548-S551 PolarHBondContact O-OG 3.18Å; L548-S551 VanDerWaalsContact O-OG 3.11Å; R549-S551 VanDerWaalsContact C-N 3.27Å; R549-S551 PolarHBondContact O-N 3.14Å; S551-R553 VanDerWaalsContact C-N 3.32Å; S551-R553 PolarHBondContact O-N 2.63Å
552G87.2Confident92.1Very high52 Ų5242.6 Ų42.654%0.53624%0.235SC..THydrogen-bonded Turntrans74.913.7178.200000115.2L548 R549 R550L548-G552 PolarHBondContact O-N 3.01Å; R549-G552 PolarHBondContact O-N 3.37Å; R550-G552 VanDerWaalsContact C-N 3.32Å
553R88.9Confident92Very high203 Ų20344.6 Ų44.677%0.76624%0.244SC*.SBendtrans-77.6-30.3176.2-62.3-65.9-172.7158.11.3112.6L548 S551L548-R553 HydrophobicContact CB-CB 4.44Å; L548-R553 HydrophobicContact CD2-CB 4.29Å; L548-R553 HydrophobicContact CD2-CG 4.38Å; L548-R553 WeakPolarHBondContact O-CB 3.5Å; L548-R553 PolarHBondContact O-N 3.27Å; S551-R553 VanDerWaalsContact C-N 3.32Å; S551-R553 PolarHBondContact O-N 2.63Å
554I90.1Very high91.9Very high17 Ų1746.8 Ų46.89%0.08725%0.247CC..SBendtrans-113.7150.5173.7-61.8173.8000108.2L501 L504 L548 G556 V558L501-I554 HydrophobicContact CD1-CD1 4.22Å; L501-I554 HydrophobicContact CD1-CG2 4.09Å; L504-I554 HydrophobicContact CD1-CD1 4.41Å; L504-I554 HydrophobicContact CD1-CG1 4.32Å; L504-I554 HydrophobicContact CD2-CD1 4.1Å; L548-I554 HydrophobicContact CB-CD1 3.61Å; L548-I554 HydrophobicContact CB-CG1 3.99Å; L548-I554 HydrophobicContact CD1-CD1 3.97Å; L548-I554 HydrophobicContact CG-CD1 4.47Å; L548-I554 PolarHBondContact O-N 2.86Å; I554-G556 PolarHBondContact O-N 3.45Å; I554-V558 HydrophobicContact CG2-CB 3.76Å; I554-V558 HydrophobicContact CG2-CG1 4.16Å; I554-V558 HydrophobicContact CG2-CG2 3.49Å; I554-V558 VanDerWaalsContact CG2-CG2 3.49Å
555H89.9Confident91.6Very high94 Ų9446.9 Ų46.944%0.43526%0.256SS..  trans-55.7135.1177.2-162.1-68.4000111.7V496 F557 V558V496-H555 HydrophobicContact CG1-CB 4.21Å; H555-F557 AromaticContact CE1-CD2 3.18Å; H555-F557 WeakPolarHBondContact CE1-CD2 3.48Å; H555-F557 AromaticContact CE1-CE2 3.63Å; H555-F557 AromaticContact ND1-CD2 3.48Å; H555-F557 WeakPolarHBondContact ND1-CD2 3.28Å; H555-F557 AromaticContact ND1-CG 3.99Å; H555-F557 PolarHBondContact ND1-N 2.73Å; H555-F557 PolarHBondContact O-N 2.96Å; H555-V558 HydrophobicContact CB-CG2 4.3Å; H555-V558 PolarHBondContact O-N 3.45Å; H555-V558 VanDerWaalsContact O-N 3.1Å
556G88.5Confident91.4Very high34 Ų3447.5 Ų47.535%0.35126%0.258SS..THydrogen-bonded Turntrans-62.9-2.2-174.500000117.1I554I554-G556 PolarHBondContact O-N 3.45Å
557F92.1Very high91.2Very high24 Ų2447.4 Ų47.411%0.10526%0.259CS..THydrogen-bonded Turntrans-1090179.1-62.7-53.7000113.3H491 T493 H555 S559 R577 Y618H491-F557 AromaticContact CE1-CE1 3.67Å; H491-F557 AromaticContact CE1-CE2 3.62Å; H491-F557 AromaticContact CE1-CZ 3.16Å; H491-F557 WeakPolarHBondContact CE1-CZ 3.35Å; H491-F557 AromaticContact ND1-CE1 3.44Å; H491-F557 WeakPolarHBondContact ND1-CE1 3.25Å; H491-F557 AromaticContact ND1-CZ 3.45Å; H491-F557 WeakPolarHBondContact ND1-CZ 3.45Å; H491-F557 AromaticContact NE2-CZ 3.76Å; T493-F557 HydrophobicContact CG2-CB 3.92Å; T493-F557 HydrophobicContact CG2-CD1 4.22Å; T493-F557 HydrophobicContact CG2-CG 4.04Å; H555-F557 AromaticContact CE1-CD2 3.18Å; H555-F557 WeakPolarHBondContact CE1-CD2 3.48Å; H555-F557 AromaticContact CE1-CE2 3.63Å; H555-F557 AromaticContact ND1-CD2 3.48Å; H555-F557 WeakPolarHBondContact ND1-CD2 3.28Å; H555-F557 AromaticContact ND1-CG 3.99Å; H555-F557 PolarHBondContact ND1-N 2.73Å; H555-F557 PolarHBondContact O-N 2.96Å; F557-S559 PolarHBondContact O-N 3.42Å; F557-R577 PolarHBondContact O-NH1 2.9Å; F557-R577 PolarHBondContact O-NH2 3.47Å; F557-Y618 AromaticContact CD1-CD2 3.86Å; F557-Y618 HydrophobicContact CD1-CD2 3.86Å; F557-Y618 AromaticContact CD1-CG 3.94Å; F557-Y618 HydrophobicContact CD1-CG 3.94Å; F557-Y618 HydrophobicContact CE1-CD1 4.1Å; F557-Y618 AromaticContact CE1-CD2 3.35Å; F557-Y618 HydrophobicContact CE1-CD2 3.35Å; F557-Y618 HydrophobicContact CE1-CE1 4.36Å; F557-Y618 AromaticContact CE1-CE2 3.62Å; F557-Y618 HydrophobicContact CE1-CE2 3.62Å; F557-Y618 AromaticContact CE1-CG 3.61Å; F557-Y618 HydrophobicContact CE1-CG 3.61Å; F557-Y618 HydrophobicContact CZ-CD2 4.22Å; F557-Y618 HydrophobicContact CZ-CE2 4.1Å
558V93.6Very high91.3Very high4 Ų445.7 Ų45.72%0.02424%0.242CC..  trans-67.7117.5173.51760000107.7L501 R549 I554 H555 V571 V572L501-V558 HydrophobicContact CD1-CG1 4.25Å; L501-V558 HydrophobicContact CD2-CG1 3.98Å; L501-V558 HydrophobicContact CD2-CG2 4.19Å; R549-V558 WeakPolarHBondContact CD-O 3.28Å; R549-V558 PolarHBondContact NH1-O 3.29Å; I554-V558 HydrophobicContact CG2-CB 3.76Å; I554-V558 HydrophobicContact CG2-CG1 4.16Å; I554-V558 HydrophobicContact CG2-CG2 3.49Å; I554-V558 VanDerWaalsContact CG2-CG2 3.49Å; H555-V558 HydrophobicContact CB-CG2 4.3Å; H555-V558 PolarHBondContact O-N 3.45Å; H555-V558 VanDerWaalsContact O-N 3.1Å; V558-V571 HydrophobicContact CG1-CG1 3.62Å; V558-V572 WeakPolarHBondContact CA-O 3.29Å
559S94.4Very high91.4Very high2 Ų244.2 Ų44.21%0.01423%0.234CC..EExtended strand (participates in β ladder)trans-98.2148.2176.764.60000110.9F557 V571 V572 R577 D620 E623F557-S559 PolarHBondContact O-N 3.42Å; S559-V571 WeakPolarHBondContact O-CA 3.3Å; S559-V572 PolarHBondContact N-O 3.49Å; S559-V572 PolarHBondContact O-N 3.4Å; S559-R577 PolarHBondContact OG-NH1 3.4Å; S559-D620 WeakPolarHBondContact CB-OD1 3.43Å; S559-D620 WeakPolarHBondContact CB-OD2 3.27Å; S559-D620 PolarHBondContact OG-OD1 3.18Å; S559-D620 PolarHBondContact OG-OD2 3.32Å; S559-E623 WeakPolarHBondContact CA-OE2 2.95Å; S559-E623 WeakPolarHBondContact CB-OE2 3.34Å
560V94.8Very high91.4Very high0 Ų045 Ų450%024%0.238CC..EExtended strand (participates in β ladder)trans-137.2126.5176.962.80000110.5C542 I545 R546 V569 H570 V571 E623C542-V560 HydrophobicContact CB-CG2 4.19Å; I545-V560 HydrophobicContact CB-CG1 4.3Å; I545-V560 HydrophobicContact CD1-CG2 4.14Å; I545-V560 HydrophobicContact CG2-CB 4.12Å; I545-V560 HydrophobicContact CG2-CG1 3.98Å; R546-V560 HydrophobicContact CG-CG1 3.71Å; R546-V560 PolarHBondContact NH2-O 3.4Å; V560-V569 HydrophobicContact CG2-CG1 4.07Å; V560-H570 WeakPolarHBondContact CA-O 3.41Å; V560-V571 HydrophobicContact CG2-CG2 4.15Å; V560-E623 PolarHBondContact N-OE2 3.44Å; V560-E623 WeakPolarHBondContact O-CG 3.34Å
561Y94.3Very high91.5Very high10 Ų1041.6 Ų41.64%0.03923%0.225CC..EExtended strand (participates in β ladder)trans-146.4156.6179.168.7-84.8000112.4R165 H570 V572 N622 D626R165-Y561 VanDerWaalsContact CZ-OH 3.31Å; R165-Y561 PolarHBondContact NH1-OH 2.87Å; R165-Y561 PolarHBondContact NH2-OH 3.08Å; Y561-H570 HydrophobicContact CD1-CB 3.9Å; Y561-H570 HydrophobicContact CD2-CB 4.36Å; Y561-H570 HydrophobicContact CE1-CB 3.34Å; Y561-H570 HydrophobicContact CE2-CB 3.86Å; Y561-H570 AromaticContact CE2-CD2 3.58Å; Y561-H570 AromaticContact CE2-CG 3.96Å; Y561-H570 HydrophobicContact CG-CB 4.38Å; Y561-H570 AromaticContact CZ-CD2 3.65Å; Y561-H570 AromaticContact CZ-CG 3.57Å; Y561-H570 PolarHBondContact N-O 3.36Å; Y561-H570 VanDerWaalsContact N-O 3.11Å; Y561-H570 PolarHBondContact O-N 3.25Å; Y561-H570 PolarHBondContact OH-CD2 2.89Å; Y561-V572 HydrophobicContact CE1-CG2 3.96Å; Y561-N622 HydrophobicContact CD1-CB 3.37Å; Y561-N622 HydrophobicContact CD2-CB 4Å; Y561-N622 HydrophobicContact CE1-CB 3.33Å; Y561-N622 HydrophobicContact CE2-CB 3.97Å; Y561-N622 HydrophobicContact CG-CB 3.71Å; Y561-D626 WeakPolarHBondContact CA-OD2 3.38Å; Y561-D626 WeakPolarHBondContact CB-OD2 3.23Å
562I93.8Very high91.6Very high31 Ų3138.7 Ų38.716%0.15920%0.204CC..EExtended strand (participates in β ladder)trans-110.7117.2-177.5-53.8172.4000109.2Y523 P538 C542 Q564 V569 D626Y523-I562 HydrophobicContact CD1-CG2 4Å; Y523-I562 HydrophobicContact CE1-CG2 3.67Å; P538-I562 HydrophobicContact CB-CD1 4.1Å; C542-I562 HydrophobicContact CB-CD1 4.5Å; C542-I562 WeakPolarHBondContact SG-CG1 3.39Å; I562-Q564 HydrophobicContact CG2-CG 4.16Å; I562-Q564 PolarHBondContact O-N 3.38Å; I562-V569 HydrophobicContact CG1-CG2 4.37Å; I562-D626 PolarHBondContact N-OD2 3.43Å
563K90.2Very high91.8Very high44 Ų4436.2 Ų36.219%0.19118%0.179CC..EExtended strand (participates in β ladder)trans-93.487.1172.6-154.2179.9-174.9-166.80108.8D342 A565 Y566 Q567 C568D342-K563 IonicContact OD1-NZ 2.64Å; D342-K563 PolarHBondContact OD1-NZ 3.02Å; D342-K563 IonicContact OD2-NZ 2.79Å; K563-A565 VanDerWaalsContact C-N 3.29Å; K563-A565 PolarHBondContact O-N 3.39Å; K563-Y566 HydrophobicContact CD-CD2 3.31Å; K563-Y566 HydrophobicContact CD-CE2 3.77Å; K563-Y566 HydrophobicContact CD-CG 3.88Å; K563-Y566 HydrophobicContact CG-CD2 3.73Å; K563-Y566 HydrophobicContact CG-CE2 4.46Å; K563-Y566 HydrophobicContact CG-CG 4.39Å; K563-Y566 VanDerWaalsContact NZ-CZ 3.27Å; K563-Y566 PolarHBondContact O-N 2.97Å; K563-Q567 PolarHBondContact O-N 3.47Å; K563-Q567 VanDerWaalsContact O-N 3.08Å; K563-C568 PolarHBondContact N-O 3.35Å; K563-C568 PolarHBondContact O-N 3.23Å
564Q89.6Confident91.9Very high147 Ų14728 Ų2869%0.68715%0.151SC*.G310 helixtrans-54.7-41.6-174.5-66.5-176.70.800113.2I562 Y566 Q567I562-Q564 HydrophobicContact CG2-CG 4.16Å; I562-Q564 PolarHBondContact O-N 3.38Å; Q564-Y566 PolarHBondContact O-N 3.06Å; Q564-Q567 PolarHBondContact O-N 2.87Å; Q564-Q567 VanDerWaalsContact O-N 3.11Å
565A87.3Confident91.8Very high55 Ų5528.3 Ų28.346%0.45516%0.158SC..G310 helixtrans-60.4-29.7179.600000113.8I339 K563I339-A565 WeakPolarHBondContact CG1-O 3.43Å; K563-A565 VanDerWaalsContact C-N 3.29Å; K563-A565 PolarHBondContact O-N 3.39Å
566Y88Confident91.9Very high16 Ų1624.3 Ų24.36%0.06314%0.142CC..G310 helixtrans-100.2-5.2-179.6-72.6-105.5000112.5I168 Y330 I339 D342 K563 Q564 C568I168-Y566 HydrophobicContact CD1-CE1 3.93Å; Y330-Y566 AromaticContact CD1-CD1 3.57Å; Y330-Y566 HydrophobicContact CD1-CD1 3.57Å; Y330-Y566 HydrophobicContact CD1-CE1 4.12Å; Y330-Y566 AromaticContact CD2-CD1 3.89Å; Y330-Y566 HydrophobicContact CD2-CD1 3.89Å; Y330-Y566 HydrophobicContact CD2-CE1 4.1Å; Y330-Y566 AromaticContact CE1-CD1 3.6Å; Y330-Y566 HydrophobicContact CE1-CD1 3.6Å; Y330-Y566 HydrophobicContact CE1-CG 4.29Å; Y330-Y566 AromaticContact CE2-CD1 3.92Å; Y330-Y566 HydrophobicContact CE2-CD1 3.92Å; Y330-Y566 AromaticContact CG-CD1 3.74Å; Y330-Y566 HydrophobicContact CG-CD1 3.74Å; Y330-Y566 AromaticContact CG-CE1 3.89Å; Y330-Y566 HydrophobicContact CG-CE1 3.89Å; Y330-Y566 AromaticContact CZ-CD1 3.78Å; I339-Y566 HydrophobicContact CD1-CD1 4.12Å; I339-Y566 HydrophobicContact CD1-CE1 4.26Å; I339-Y566 HydrophobicContact CD1-CG 4.28Å; I339-Y566 HydrophobicContact CG2-CD2 4.01Å; I339-Y566 HydrophobicContact CG2-CE1 3.88Å; I339-Y566 HydrophobicContact CG2-CE2 3.26Å; I339-Y566 VanDerWaalsContact CG2-OH 3.31Å; I339-Y566 WeakPolarHBondContact CG2-OH 3.48Å; D342-Y566 PolarHBondContact OD1-OH 3.27Å; D342-Y566 PolarHBondContact OD2-OH 3.45Å; K563-Y566 HydrophobicContact CD-CD2 3.31Å; K563-Y566 HydrophobicContact CD-CE2 3.77Å; K563-Y566 HydrophobicContact CD-CG 3.88Å; K563-Y566 HydrophobicContact CG-CD2 3.73Å; K563-Y566 HydrophobicContact CG-CE2 4.46Å; K563-Y566 HydrophobicContact CG-CG 4.39Å; K563-Y566 VanDerWaalsContact NZ-CZ 3.27Å; K563-Y566 PolarHBondContact O-N 2.97Å; Q564-Y566 PolarHBondContact O-N 3.06Å; Y566-C568 VanDerWaalsContact C-N 3.35Å; Y566-C568 PolarHBondContact O-N 2.75Å
567Q90.9Very high92.1Very high43 Ų4323 Ų2320%0.20113%0.126CC..THydrogen-bonded Turntrans50.952.1-171.7-58.4174.8-59.100112K520 Y523 V524 K563 Q564K520-Q567 PolarHBondContact O-NE2 3.1Å; K520-Q567 VanDerWaalsContact O-NE2 3.09Å; Y523-Q567 CarbonylContact C-O 3.59Å; Y523-Q567 WeakPolarHBondContact CA-O 3.49Å; Y523-Q567 HydrophobicContact CD1-CB 4.31Å; Y523-Q567 HydrophobicContact CE1-CB 4.35Å; Y523-Q567 HydrophobicContact CG-CB 4.43Å; V524-Q567 PolarHBondContact N-O 3.13Å; K563-Q567 PolarHBondContact O-N 3.47Å; K563-Q567 VanDerWaalsContact O-N 3.08Å; Q564-Q567 PolarHBondContact O-N 2.87Å; Q564-Q567 VanDerWaalsContact O-N 3.11Å
568C93Very high92.2Very high1 Ų122.2 Ų22.21%0.00712%0.123CC..EExtended strand (participates in β ladder)trans-135.4149176.762.20000113.1V524 Y526 K563 Y566 H570V524-C568 HydrophobicContact CB-CB 4.36Å; V524-C568 CarbonylContact O-C 3.58Å; V524-C568 WeakPolarHBondContact O-CA 3.18Å; V524-C568 WeakPolarHBondContact O-CB 3.44Å; Y526-C568 HydrophobicContact CD2-CB 3.88Å; Y526-C568 HydrophobicContact CE2-CB 3.8Å; K563-C568 PolarHBondContact N-O 3.35Å; K563-C568 PolarHBondContact O-N 3.23Å; Y566-C568 VanDerWaalsContact C-N 3.35Å; Y566-C568 PolarHBondContact O-N 2.75Å; C568-H570 VanDerWaalsContact SG-CD2 3.58Å; C568-H570 PolarHBondContact SG-NE2 3.1Å
569V94.8Very high92.2Very high0 Ų022.1 Ų22.10%012%0.122CC..EExtended strand (participates in β ladder)trans-106.5122.5169.8-178.60000107.4Y523 V524 I525 Y526 T535 P538 V560 I562Y523-V569 HydrophobicContact CD1-CG2 4.41Å; V524-V569 PolarHBondContact O-N 3.02Å; I525-V569 WeakPolarHBondContact CA-O 3.3Å; I525-V569 HydrophobicContact CG1-CB 4.47Å; Y526-V569 PolarHBondContact N-O 3.17Å; T535-V569 HydrophobicContact CG2-CG2 4.2Å; P538-V569 HydrophobicContact CB-CG2 3.6Å; V560-V569 HydrophobicContact CG2-CG1 4.07Å; I562-V569 HydrophobicContact CG1-CG2 4.37Å
570H94.6Very high92.2Very high27 Ų2722.1 Ų22.113%0.12512%0.122CC..EExtended strand (participates in β ladder)trans-103.7125.4176.8-74.6-79000109.6Y526 V560 Y561 C568 V572Y526-H570 AromaticContact CD2-CE1 3.59Å; Y526-H570 AromaticContact CD2-ND1 3.99Å; Y526-H570 AromaticContact CG-CE1 3.98Å; V560-H570 WeakPolarHBondContact CA-O 3.41Å; Y561-H570 HydrophobicContact CD1-CB 3.9Å; Y561-H570 HydrophobicContact CD2-CB 4.36Å; Y561-H570 HydrophobicContact CE1-CB 3.34Å; Y561-H570 HydrophobicContact CE2-CB 3.86Å; Y561-H570 AromaticContact CE2-CD2 3.58Å; Y561-H570 AromaticContact CE2-CG 3.96Å; Y561-H570 HydrophobicContact CG-CB 4.38Å; Y561-H570 AromaticContact CZ-CD2 3.65Å; Y561-H570 AromaticContact CZ-CG 3.57Å; Y561-H570 PolarHBondContact N-O 3.36Å; Y561-H570 VanDerWaalsContact N-O 3.11Å; Y561-H570 PolarHBondContact O-N 3.25Å; Y561-H570 PolarHBondContact OH-CD2 2.89Å; C568-H570 VanDerWaalsContact SG-CD2 3.58Å; C568-H570 PolarHBondContact SG-NE2 3.1Å; H570-V572 HydrophobicContact CB-CG2 4.31Å
571V94.3Very high92.2Very high0 Ų022.1 Ų22.10%012%0.122CC..EExtended strand (participates in β ladder)trans-110.3123.5166.6-172.30000107.8L501 I505 Y526 V527 N528 I545 V558 S559 V560L501-V571 HydrophobicContact CD2-CG1 3.99Å; I505-V571 HydrophobicContact CD1-CB 4.09Å; I505-V571 HydrophobicContact CD1-CG1 3.88Å; I505-V571 HydrophobicContact CD1-CG2 3.99Å; Y526-V571 PolarHBondContact O-N 3.35Å; V527-V571 VanDerWaalsContact CA-O 3.3Å; V527-V571 WeakPolarHBondContact CA-O 3.48Å; V527-V571 HydrophobicContact CG2-CB 4.31Å; N528-V571 PolarHBondContact N-O 3.29Å; N528-V571 VanDerWaalsContact N-O 3.09Å; I545-V571 HydrophobicContact CD1-CG2 3.8Å; V558-V571 HydrophobicContact CG1-CG1 3.62Å; S559-V571 WeakPolarHBondContact O-CA 3.3Å; V560-V571 HydrophobicContact CG2-CG2 4.15Å
572V93.7Very high92.2Very high8 Ų821.8 Ų21.85%0.04812%0.12CC..EExtended strand (participates in β ladder)trans-126.1120.6-171.1-168.10000110.5V558 S559 Y561 H570 D574 R577V558-V572 WeakPolarHBondContact CA-O 3.29Å; S559-V572 PolarHBondContact N-O 3.49Å; S559-V572 PolarHBondContact O-N 3.4Å; Y561-V572 HydrophobicContact CE1-CG2 3.96Å; H570-V572 HydrophobicContact CB-CG2 4.31Å; V572-D574 HydrophobicContact CG1-CB 4.34Å; V572-D574 WeakPolarHBondContact CG1-OD1 3.3Å; V572-R577 PolarHBondContact O-NH1 2.99Å; V572-R577 PolarHBondContact O-NH2 3.27Å
573S92.1Very high92.3Very high1 Ų120.3 Ų20.31%0.00711%0.113CC..  trans-117.42.4173.769.60000113.1V496 N528V496-S573 PolarHBondContact O-OG 3.29Å; N528-S573 PolarHBondContact ND2-OG 3.27Å; N528-S573 PolarHBondContact OD1-N 3.11Å
574D89.5Confident92.5Very high31 Ų3118.2 Ų18.217%0.16610%0.104CC..  trans-60.7153.6179.475.8-12.8000113.9R351 T493 N528 V572 R577R351-D574 IonicContact CZ-OD1 3.25Å; R351-D574 IonicContact CZ-OD2 3.37Å; R351-D574 IonicContact NE-OD1 3.65Å; R351-D574 PolarHBondContact NE-OD1 2.91Å; R351-D574 IonicContact NE-OD2 3.57Å; R351-D574 PolarHBondContact NE-OD2 3Å; R351-D574 IonicContact NH2-OD1 3.69Å; R351-D574 PolarHBondContact NH2-OD1 3.15Å; R351-D574 IonicContact NH2-OD2 3.98Å; R351-D574 PolarHBondContact NH2-OD2 3.28Å; T493-D574 PolarHBondContact OG1-O 3.2Å; T493-D574 VanDerWaalsContact OG1-O 3.06Å; N528-D574 PolarHBondContact OD1-N 3.04Å; V572-D574 HydrophobicContact CG1-CB 4.34Å; V572-D574 WeakPolarHBondContact CG1-OD1 3.3Å; D574-R577 PolarHBondContact O-NE 3.3Å; D574-R577 PolarHBondContact O-NH2 3.49Å; D574-R577 VanDerWaalsContact O-NH2 3.14Å; D574-R577 WeakPolarHBondContact OD1-CD 3.44Å; D574-R577 WeakPolarHBondContact OD1-CG 3.49Å; D574-R577 IonicContact OD1-NE 3.66Å; D574-R577 PolarHBondContact OD1-NE 3.27Å
575G89.2Confident92.6Very high23 Ų2311.8 Ų11.824%0.2377%0.074CC..SBendtrans-79.5160.8175.400000113.2
576G91.2Very high92.6Very high9 Ų911.6 Ų11.69%0.0937%0.069CC..SBendtrans82.112176.100000114.7R351 I352 T493R351-G576 CarbonylContact C-O 3.45Å; R351-G576 WeakPolarHBondContact CA-O 3.32Å; I352-G576 PolarHBondContact N-O 2.82Å; I352-G576 VanDerWaalsContact O-CA 3.31Å; I352-G576 WeakPolarHBondContact O-CA 3.34Å; T493-G576 PolarHBondContact O-N 3.11Å; T493-G576 PolarHBondContact OG1-N 3.11Å
577R93.9Very high92.3Very high6 Ų619 Ų192%0.02311%0.109CC..  trans-80.5144.2170.8-70178.3-74.21329.4110R351 V492 T493 F557 S559 V572 D574 D620R351-R577 VanDerWaalsContact CZ-CG 3.49Å; V492-R577 WeakPolarHBondContact CA-O 3.5Å; T493-R577 HydrophobicContact CG2-CB 4.16Å; T493-R577 PolarHBondContact N-O 3.44Å; T493-R577 WeakPolarHBondContact OG1-CB 3.5Å; T493-R577 PolarHBondContact OG1-N 2.92Å; F557-R577 PolarHBondContact O-NH1 2.9Å; F557-R577 PolarHBondContact O-NH2 3.47Å; S559-R577 PolarHBondContact OG-NH1 3.4Å; V572-R577 PolarHBondContact O-NH1 2.99Å; V572-R577 PolarHBondContact O-NH2 3.27Å; D574-R577 PolarHBondContact O-NE 3.3Å; D574-R577 PolarHBondContact O-NH2 3.49Å; D574-R577 VanDerWaalsContact O-NH2 3.14Å; D574-R577 WeakPolarHBondContact OD1-CD 3.44Å; D574-R577 WeakPolarHBondContact OD1-CG 3.49Å; D574-R577 IonicContact OD1-NE 3.66Å; D574-R577 PolarHBondContact OD1-NE 3.27Å; R577-D620 IonicContact NH1-OD2 2.75Å
578F93.6Very high91.9Very high9 Ų919 Ų194%0.03912%0.121CC..EExtended strand (participates in β ladder)trans-81.4131.1165.1-76.3-50.1000110Y347 I352 M445 L468 I469 V486 C490 V492 D620Y347-F578 AromaticContact CD1-CD2 3.82Å; Y347-F578 HydrophobicContact CD1-CD2 3.82Å; Y347-F578 AromaticContact CD1-CE2 3.87Å; Y347-F578 HydrophobicContact CD1-CE2 3.87Å; Y347-F578 HydrophobicContact CE1-CD2 4.27Å; Y347-F578 AromaticContact CE1-CE2 3.84Å; Y347-F578 HydrophobicContact CE1-CE2 3.84Å; I352-F578 HydrophobicContact CD1-CD2 4.49Å; I352-F578 HydrophobicContact CD1-CE2 3.6Å; I352-F578 HydrophobicContact CD1-CZ 3.71Å; I352-F578 HydrophobicContact CG1-CD1 4.36Å; I352-F578 HydrophobicContact CG1-CD2 4.07Å; I352-F578 HydrophobicContact CG1-CE1 3.81Å; I352-F578 HydrophobicContact CG1-CE2 3.47Å; I352-F578 VanDerWaalsContact CG1-CE2 3.47Å; I352-F578 HydrophobicContact CG1-CG 4.49Å; I352-F578 HydrophobicContact CG1-CZ 3.35Å; M445-F578 HydrophobicContact CE-CE2 4.48Å; M445-F578 HydrophobicContact SD-CE2 4.38Å; M445-F578 HydrophobicContact SD-CZ 4.04Å; L468-F578 HydrophobicContact CB-CB 4.45Å; L468-F578 HydrophobicContact CD1-CB 3.81Å; L468-F578 HydrophobicContact CD2-CB 4.05Å; L468-F578 HydrophobicContact CG-CB 4.32Å; I469-F578 HydrophobicContact CD1-CE2 4.07Å; I469-F578 HydrophobicContact CG1-CE2 4.26Å; I469-F578 HydrophobicContact CG1-CZ 4.49Å; V486-F578 HydrophobicContact CG2-CE1 4.09Å; V486-F578 HydrophobicContact CG2-CZ 4.23Å; C490-F578 WeakPolarHBondContact SG-CD1 3.28Å; V492-F578 HydrophobicContact CG2-CD1 3.65Å; V492-F578 HydrophobicContact CG2-CE1 3.57Å; F578-D620 WeakPolarHBondContact O-CA 3.37Å
579C93.7Very high91.7Very high1 Ų128.3 Ų28.31%0.00716%0.156CC..EExtended strand (participates in β ladder)trans-127.7150.1175.7-67.30000110.3H491 T493 Y618 L619H491-C579 PolarHBondContact N-O 2.93Å; H491-C579 PolarHBondContact O-N 3.11Å; T493-C579 WeakPolarHBondContact CG2-SG 3.21Å; C579-Y618 HydrophobicContact CB-CD1 4.33Å; C579-L619 CarbonylContact C-O 3.44Å; C579-L619 VanDerWaalsContact CA-O 3.26Å; C579-L619 WeakPolarHBondContact CA-O 3.09Å
580R94.4Very high91.5Very high2 Ų229.9 Ų29.91%0.00817%0.166CC..EExtended strand (participates in β ladder)trans-133.5137.7175.3179.2173.817688.67.1109.9G467 L468 Y582 Y618 L619 E646 T651G467-R580 PolarHBondContact O-NH1 3.22Å; L468-R580 HydrophobicContact CD2-CB 3.8Å; R580-Y582 HydrophobicContact CB-CE2 3.8Å; R580-Y582 WeakPolarHBondContact CD-OH 3.33Å; R580-Y582 HydrophobicContact CG-CD2 4.4Å; R580-Y582 HydrophobicContact CG-CE2 3.74Å; R580-Y582 VanDerWaalsContact O-CD2 3.31Å; R580-Y582 WeakPolarHBondContact O-CD2 3.3Å; R580-Y618 WeakPolarHBondContact O-CA 3.42Å; R580-L619 PolarHBondContact N-O 2.86Å; R580-L619 PolarHBondContact O-N 3.11Å; R580-E646 IonicContact CZ-OE1 2.86Å; R580-E646 VanDerWaalsContact CZ-OE1 3.31Å; R580-E646 IonicContact NE-OE1 3.8Å; R580-E646 PolarHBondContact NE-OE1 3.2Å; R580-E646 VanDerWaalsContact NE-OE1 3.09Å; R580-E646 IonicContact NE-OE2 3.26Å; R580-E646 IonicContact NH2-OE1 3.98Å; R580-E646 PolarHBondContact NH2-OE1 3.49Å; R580-E646 IonicContact NH2-OE2 3.72Å; R580-T651 PolarHBondContact NH1-OG1 3.17Å; R580-T651 PolarHBondContact NH2-OG1 3.05Å
581P94.5Very high91.3Very high0 Ų031.5 Ų31.50%018%0.175CC..EExtended strand (participates in β ladder)trans-79139.9178.130.7-32.5000111.8F11 M489 W607 V616 E617 Y618 I647F11-P581 HydrophobicContact CD2-CG 4.3Å; F11-P581 HydrophobicContact CE2-CG 4.34Å; M489-P581 HydrophobicContact CB-CG 4.46Å; M489-P581 HydrophobicContact CE-CG 3.58Å; M489-P581 WeakPolarHBondContact O-CD 3.41Å; P581-W607 HydrophobicContact CB-CH2 3.85Å; P581-W607 HydrophobicContact CB-CZ2 3.53Å; P581-W607 HydrophobicContact CG-CH2 4.04Å; P581-W607 HydrophobicContact CG-CZ2 3.85Å; P581-V616 HydrophobicContact CB-CG1 3.82Å; P581-E617 WeakPolarHBondContact CA-O 3.39Å; P581-Y618 HydrophobicContact CB-CD1 3.89Å; P581-Y618 HydrophobicContact CB-CE1 3.71Å; P581-Y618 HydrophobicContact CG-CD1 4.38Å; P581-Y618 HydrophobicContact CG-CE1 3.95Å; P581-I647 HydrophobicContact CB-CD1 4.12Å; P581-I647 HydrophobicContact CG-CD1 4.11Å; P581-I647 WeakPolarHBondContact O-CD1 3.35Å
582Y94.7Very high91Very high3 Ų331.6 Ų31.61%0.01218%0.175CC..EExtended strand (participates in β ladder)trans-133.2151.6177.4-72.5-85.8000111.5R580 V616 E617 L619 L624 V629 E646R580-Y582 HydrophobicContact CB-CE2 3.8Å; R580-Y582 WeakPolarHBondContact CD-OH 3.33Å; R580-Y582 HydrophobicContact CG-CD2 4.4Å; R580-Y582 HydrophobicContact CG-CE2 3.74Å; R580-Y582 VanDerWaalsContact O-CD2 3.31Å; R580-Y582 WeakPolarHBondContact O-CD2 3.3Å; Y582-V616 WeakPolarHBondContact O-CA 3.35Å; Y582-V616 WeakPolarHBondContact O-CG1 3.27Å; Y582-E617 PolarHBondContact N-O 3.31Å; Y582-E617 PolarHBondContact O-N 3.22Å; Y582-E617 VanDerWaalsContact O-N 3.1Å; Y582-L619 HydrophobicContact CD2-CB 3.97Å; Y582-L619 HydrophobicContact CD2-CD1 3.63Å; Y582-L619 HydrophobicContact CD2-CG 3.84Å; Y582-L619 HydrophobicContact CE2-CB 4.24Å; Y582-L619 HydrophobicContact CE2-CD1 4.25Å; Y582-L619 HydrophobicContact CG-CD1 4.06Å; Y582-L624 HydrophobicContact CD2-CD2 4.3Å; Y582-L624 HydrophobicContact CE2-CD1 4.19Å; Y582-L624 HydrophobicContact CE2-CD2 3.63Å; Y582-L624 HydrophobicContact CE2-CG 4.38Å; Y582-V629 HydrophobicContact CD1-CG1 3.81Å; Y582-V629 HydrophobicContact CE1-CG1 3.7Å; Y582-V629 HydrophobicContact CE1-CG2 4.34Å; Y582-E646 VanDerWaalsContact CE1-OE2 3.24Å; Y582-E646 WeakPolarHBondContact CE1-OE2 3.41Å
583I94.7Very high90.8Very high0 Ų034.4 Ų34.40%019%0.193CC..EExtended strand (participates in β ladder)trans-78.8130.4173.3-63.9165.7000108.3L7 P590 V592 H644 M645 I647L7-I583 HydrophobicContact CD1-CD1 3.94Å; L7-I583 HydrophobicContact CD1-CG1 4.36Å; I583-P590 HydrophobicContact CG2-CB 3.96Å; I583-V592 HydrophobicContact CG1-CG2 4.22Å; I583-V592 HydrophobicContact CG2-CB 4.2Å; I583-V592 HydrophobicContact CG2-CG2 3.91Å; I583-H644 CarbonylContact O-C 3.47Å; I583-H644 VanDerWaalsContact O-CA 3.25Å; I583-H644 WeakPolarHBondContact O-CA 3.46Å; I583-M645 HydrophobicContact CB-CB 4.31Å; I583-M645 HydrophobicContact CB-CE 4.36Å; I583-M645 HydrophobicContact CD1-CE 3.69Å; I583-M645 HydrophobicContact CG2-CE 4.19Å; I583-M645 PolarHBondContact N-O 3.2Å; I583-M645 PolarHBondContact O-N 2.91Å; I583-I647 HydrophobicContact CD1-CG1 4.12Å; I583-I647 HydrophobicContact CG1-CG1 3.91Å
584I94.3Very high90.6Very high0 Ų037.7 Ų37.70%021%0.208CC..EExtended strand (participates in β ladder)trans-76.4132.5177-66160.9000109.4R550 L591 G614 L615 E617R550-I584 HydrophobicContact CG-CD1 3.99Å; I584-L591 HydrophobicContact CB-CD1 3.93Å; I584-L591 HydrophobicContact CB-CG 4.46Å; I584-L591 HydrophobicContact CG2-CD1 3.64Å; I584-L591 HydrophobicContact CG2-CG 4.27Å; I584-L591 PolarHBondContact O-N 3.46Å; I584-G614 WeakPolarHBondContact CD1-O 3.45Å; I584-L615 PolarHBondContact N-O 2.97Å; I584-L615 VanDerWaalsContact N-O 3.16Å; I584-E617 HydrophobicContact CD1-CB 4.01Å; I584-E617 HydrophobicContact CD1-CG 3.81Å; I584-E617 HydrophobicContact CG1-CB 4.44Å; I584-E617 HydrophobicContact CG1-CG 3.79Å
585L92.1Very high90.6Very high12 Ų1239.2 Ų39.26%0.06322%0.221CC..EExtended strand (participates in β ladder)trans-101133169.7-63173.3000109.6R589 P590 A630 L636 Y642 T643 H644 M645L585-R589 WeakPolarHBondContact CA-O 3.36Å; L585-P590 HydrophobicContact CD2-CB 3.8Å; L585-P590 HydrophobicContact CD2-CG 4.45Å; L585-A630 HydrophobicContact CD1-CB 4.45Å; L585-L636 HydrophobicContact CD1-CD2 3.66Å; L585-L636 HydrophobicContact CD2-CD1 4.49Å; L585-L636 HydrophobicContact CD2-CD2 4.32Å; L585-Y642 VanDerWaalsContact CD1-CB 3.42Å; L585-T643 PolarHBondContact N-O 2.89Å; L585-T643 VanDerWaalsContact N-O 3.08Å; L585-H644 VanDerWaalsContact CD1-O 3.27Å; L585-H644 WeakPolarHBondContact CD1-O 3.37Å; L585-M645 HydrophobicContact CD1-CB 4.22Å; L585-M645 HydrophobicContact CD2-CB 4.04Å; L585-M645 HydrophobicContact CG-CB 4.14Å
586C87.1Confident90.6Very high51 Ų5138.9 Ų38.935%0.34521%0.214SC..EExtended strand (participates in β ladder)trans-121.3121.5170.8-74.50000108.6G588 R589 L591C586-G588 VanDerWaalsContact C-N 3.27Å; C586-G588 PolarHBondContact O-N 3.37Å; C586-R589 PolarHBondContact N-O 3.11Å; C586-R589 PolarHBondContact O-N 3.02Å; C586-L591 HydrophobicContact CB-CD2 3.83Å; C586-L591 HydrophobicContact CB-CG 4.35Å
587N83.3Confident90.4Very high172 Ų17238.5 Ų38.592%0.9221%0.21SC*.THydrogen-bonded Turntrans51.343.3179.9-58.1-22.6000113.3R589N587-R589 PolarHBondContact O-N 3.37Å
588G82.4Confident90.2Very high42 Ų4243 Ų4343%0.43323%0.232SC..THydrogen-bonded Turntrans763.2179.600000115.2C586C586-G588 VanDerWaalsContact C-N 3.27Å; C586-G588 PolarHBondContact O-N 3.37Å
589R87.4Confident90Very high198 Ų19845.6 Ų45.675%0.74725%0.246SC*.EExtended strand (participates in β ladder)trans-113.6135.1177.4-63.2-177-178.1-179.40.5111.2L585 C586 N587L585-R589 WeakPolarHBondContact CA-O 3.36Å; C586-R589 PolarHBondContact N-O 3.11Å; C586-R589 PolarHBondContact O-N 3.02Å; N587-R589 PolarHBondContact O-N 3.37Å
590P91.1Very high89.7Confident32 Ų3246.1 Ų46.121%0.20825%0.249CC..EExtended strand (participates in β ladder)trans-66.5136.6171.427.8-33.3000111.1M1 I583 L585 V592 M645M1-P590 HydrophobicContact CE-CB 3.52Å; M1-P590 HydrophobicContact CE-CG 3.26Å; I583-P590 HydrophobicContact CG2-CB 3.96Å; L585-P590 HydrophobicContact CD2-CB 3.8Å; L585-P590 HydrophobicContact CD2-CG 4.45Å; P590-V592 VanDerWaalsContact C-N 3.26Å; P590-V592 PolarHBondContact O-N 3.23Å; P590-M645 HydrophobicContact CB-CE 3.88Å; P590-M645 HydrophobicContact CG-CE 4.35Å
591L90.1Very high89.2Confident62 Ų6253.2 Ų53.233%0.32528%0.275SS..SBendtrans-70.7-25.3175.5-68.7-175.1000112.5I584 C586 T593 L615I584-L591 HydrophobicContact CB-CD1 3.93Å; I584-L591 HydrophobicContact CB-CG 4.46Å; I584-L591 HydrophobicContact CG2-CD1 3.64Å; I584-L591 HydrophobicContact CG2-CG 4.27Å; I584-L591 PolarHBondContact O-N 3.46Å; C586-L591 HydrophobicContact CB-CD2 3.83Å; C586-L591 HydrophobicContact CB-CG 4.35Å; L591-T593 PolarHBondContact O-N 3.21Å; L591-L615 HydrophobicContact CB-CD2 3.94Å
592V89.4Confident88.9Confident1 Ų159.6 Ų59.61%0.00631%0.305CS..  trans-74.6118171.4178.70000108.3M1 I583 P590 V596 L597 L615 V616M1-V592 HydrophobicContact CE-CB 4.48Å; M1-V592 WeakPolarHBondContact CE-O 3.49Å; M1-V592 HydrophobicContact SD-CB 4.41Å; M1-V592 HydrophobicContact SD-CG1 4.05Å; I583-V592 HydrophobicContact CG1-CG2 4.22Å; I583-V592 HydrophobicContact CG2-CB 4.2Å; I583-V592 HydrophobicContact CG2-CG2 3.91Å; P590-V592 VanDerWaalsContact C-N 3.26Å; P590-V592 PolarHBondContact O-N 3.23Å; V592-V596 HydrophobicContact CG1-CG1 4.48Å; V592-L597 HydrophobicContact CG1-CD2 3.93Å; V592-L597 HydrophobicContact CG1-CG 4.08Å; V592-L615 HydrophobicContact CG2-CB 4.13Å; V592-V616 HydrophobicContact CG2-CG2 4.31Å
593T89Confident88.3Confident67 Ų6765.8 Ų65.841%0.41134%0.338SS..  trans-102.3164.5175.554.40000110.6L591 S595 V596 L597L591-T593 PolarHBondContact O-N 3.21Å; T593-S595 PolarHBondContact O-N 3.18Å; T593-S595 PolarHBondContact OG1-OG 2.95Å; T593-V596 WeakPolarHBondContact O-CB 3.48Å; T593-V596 PolarHBondContact O-N 3.46Å; T593-V596 WeakPolarHBondContact OG1-CG2 3.44Å; T593-L597 PolarHBondContact O-N 3.24Å
594E87.2Confident88.1Confident70 Ų7070.4 Ų70.433%0.32737%0.366SS..Hα-helixtrans-59.1-32.2176.1-165.368.1-157.900112.2V596 L597 Q598E594-V596 VanDerWaalsContact C-N 3.35Å; E594-V596 PolarHBondContact O-N 3.06Å; E594-L597 WeakPolarHBondContact O-CB 3.34Å; E594-L597 PolarHBondContact O-N 2.95Å; E594-Q598 WeakPolarHBondContact O-CG 3.25Å; E594-Q598 PolarHBondContact O-N 3.36Å
595S89Confident87.8Confident63 Ų6371.2 Ų71.244%0.44137%0.37SS..Hα-helixtrans-61.7-40.9174.560.70000112.4T593 L597 Q598 D599T593-S595 PolarHBondContact O-N 3.18Å; T593-S595 PolarHBondContact OG1-OG 2.95Å; S595-L597 VanDerWaalsContact C-N 3.31Å; S595-L597 PolarHBondContact O-N 3.21Å; S595-Q598 WeakPolarHBondContact O-CB 3.48Å; S595-Q598 PolarHBondContact O-N 3.33Å; S595-D599 PolarHBondContact O-N 3.19Å
596V89.8Confident87.6Confident16 Ų1675 Ų7510%0.09739%0.391CS..Hα-helixtrans-65.7-37.4176.3175.40000110.8V592 T593 E594 Q598 D599 L600 L605 L610 L615V592-V596 HydrophobicContact CG1-CG1 4.48Å; T593-V596 WeakPolarHBondContact O-CB 3.48Å; T593-V596 PolarHBondContact O-N 3.46Å; T593-V596 WeakPolarHBondContact OG1-CG2 3.44Å; E594-V596 VanDerWaalsContact C-N 3.35Å; E594-V596 PolarHBondContact O-N 3.06Å; V596-Q598 VanDerWaalsContact C-N 3.35Å; V596-D599 PolarHBondContact O-N 2.91Å; V596-L600 HydrophobicContact CG1-CD1 4.24Å; V596-L600 VanDerWaalsContact O-CG 3.3Å; V596-L600 WeakPolarHBondContact O-CG 3.24Å; V596-L600 PolarHBondContact O-N 3.23Å; V596-L605 HydrophobicContact CG1-CD1 4.21Å; V596-L610 HydrophobicContact CG1-CD2 3.58Å; V596-L615 HydrophobicContact CG1-CD1 3.97Å; V596-L615 HydrophobicContact CG2-CD1 4.2Å
597L87.7Confident87.7Confident2 Ų272.6 Ų72.61%0.0138%0.375CS..Hα-helixtrans-65.6-38.2175-64.2177.9000112M1 Q3 L7 V592 T593 E594 S595 L600 R601M1-L597 HydrophobicContact CB-CD1 4.15Å; M1-L597 HydrophobicContact CG-CD1 4.24Å; M1-L597 HydrophobicContact SD-CD1 3.86Å; Q3-L597 HydrophobicContact CB-CD1 4.2Å; L7-L597 HydrophobicContact CD1-CD2 4.29Å; L7-L597 HydrophobicContact CD2-CD2 4.21Å; L7-L597 HydrophobicContact CG-CD2 3.98Å; V592-L597 HydrophobicContact CG1-CD2 3.93Å; V592-L597 HydrophobicContact CG1-CG 4.08Å; T593-L597 PolarHBondContact O-N 3.24Å; E594-L597 WeakPolarHBondContact O-CB 3.34Å; E594-L597 PolarHBondContact O-N 2.95Å; S595-L597 VanDerWaalsContact C-N 3.31Å; S595-L597 PolarHBondContact O-N 3.21Å; L597-L600 HydrophobicContact CD2-CD1 4.22Å; L597-L600 PolarHBondContact O-N 2.87Å; L597-R601 PolarHBondContact O-N 3.42Å
598Q88.7Confident88Confident101 Ų10167.7 Ų67.747%0.47235%0.348SS..Hα-helixtrans-65.2-44.1172.9-70.1177.11.100111.4E594 S595 V596 L600 R601 H602E594-Q598 WeakPolarHBondContact O-CG 3.25Å; E594-Q598 PolarHBondContact O-N 3.36Å; S595-Q598 WeakPolarHBondContact O-CB 3.48Å; S595-Q598 PolarHBondContact O-N 3.33Å; V596-Q598 VanDerWaalsContact C-N 3.35Å; Q598-L600 VanDerWaalsContact C-N 3.3Å; Q598-L600 PolarHBondContact O-N 2.81Å; Q598-R601 WeakPolarHBondContact O-CB 3.35Å; Q598-R601 PolarHBondContact O-N 3.06Å; Q598-R601 VanDerWaalsContact O-N 3.12Å; Q598-H602 PolarHBondContact O-N 2.91Å; Q598-H602 PolarHBondContact O-ND1 3.02Å
599D90.3Very high88.4Confident62 Ų6267.8 Ų67.833%0.33234%0.339SS..Hα-helixtrans-60.9-39.1176.6-70.6-16000112S595 V596 H602 N603 V604 L605S595-D599 PolarHBondContact O-N 3.19Å; V596-D599 PolarHBondContact O-N 2.91Å; D599-H602 PolarHBondContact O-N 3.16Å; D599-N603 PolarHBondContact O-N 2.83Å; D599-V604 HydrophobicContact CB-CB 4.32Å; D599-V604 PolarHBondContact O-N 2.77Å; D599-L605 HydrophobicContact CB-CD1 3.75Å; D599-L605 HydrophobicContact CB-CG 3.95Å; D599-L605 PolarHBondContact O-N 2.92Å
600L86.5Confident88.5Confident13 Ų1358.4 Ų58.47%0.06830%0.303CS..Hα-helixtrans-63-42173.4-76.2163.3000111.7L7 V596 L597 Q598 H602 N603 L605 L610L7-L600 HydrophobicContact CD2-CD1 3.48Å; L7-L600 VanDerWaalsContact CD2-CD1 3.48Å; V596-L600 HydrophobicContact CG1-CD1 4.24Å; V596-L600 VanDerWaalsContact O-CG 3.3Å; V596-L600 WeakPolarHBondContact O-CG 3.24Å; V596-L600 PolarHBondContact O-N 3.23Å; L597-L600 HydrophobicContact CD2-CD1 4.22Å; L597-L600 PolarHBondContact O-N 2.87Å; Q598-L600 VanDerWaalsContact C-N 3.3Å; Q598-L600 PolarHBondContact O-N 2.81Å; L600-H602 VanDerWaalsContact C-N 3.33Å; L600-H602 PolarHBondContact O-N 3.47Å; L600-N603 PolarHBondContact O-N 3.27Å; L600-N603 VanDerWaalsContact O-N 3.09Å; L600-L605 HydrophobicContact CD2-CB 4.18Å; L600-L605 WeakPolarHBondContact CD2-O 3.42Å; L600-L605 HydrophobicContact CG-CB 4.47Å; L600-L610 HydrophobicContact CD1-CD1 3.86Å; L600-L610 HydrophobicContact CD1-CD2 4.13Å; L600-L610 HydrophobicContact CD2-CD1 3.87Å; L600-L610 HydrophobicContact CD2-CD2 4.2Å; L600-L610 HydrophobicContact CD2-CG 4.15Å; L600-L610 HydrophobicContact CG-CD1 4.44Å; L600-L610 HydrophobicContact CG-CD2 4.36Å
601R84.9Confident88.5Confident151 Ų15158.7 Ų58.757%0.5730%0.303SS*.Hα-helixtrans-66.1-35.4179-173.4177177.5-179.6-1.5112.5L597 Q598 N603L597-R601 PolarHBondContact O-N 3.42Å; Q598-R601 WeakPolarHBondContact O-CB 3.35Å; Q598-R601 PolarHBondContact O-N 3.06Å; Q598-R601 VanDerWaalsContact O-N 3.12Å; R601-N603 PolarHBondContact O-N 2.8Å
602H87Confident88.5Confident134 Ų13462.5 Ų62.562%0.6232%0.317SS*.THydrogen-bonded Turntrans-81.56.1175-63.198.2000113Q598 D599 L600 V604Q598-H602 PolarHBondContact O-N 2.91Å; Q598-H602 PolarHBondContact O-ND1 3.02Å; D599-H602 PolarHBondContact O-N 3.16Å; L600-H602 VanDerWaalsContact C-N 3.33Å; L600-H602 PolarHBondContact O-N 3.47Å; H602-V604 HydrophobicContact CB-CG2 3.97Å; H602-V604 PolarHBondContact O-N 3.05Å
603N82.9Confident88.5Confident132 Ų13268.3 Ų68.371%0.70634%0.342SS*.THydrogen-bonded Turntrans5527.4-176.2-59.5-49.9000113.9D599 L600 R601D599-N603 PolarHBondContact O-N 2.83Å; L600-N603 PolarHBondContact O-N 3.27Å; L600-N603 VanDerWaalsContact O-N 3.09Å; R601-N603 PolarHBondContact O-N 2.8Å
604V89.6Confident88.6Confident98 Ų9865.5 Ų65.559%0.59433%0.327SS*.SBendtrans-76.1-37.4174.5179.50000110.1D599 H602D599-V604 HydrophobicContact CB-CB 4.32Å; D599-V604 PolarHBondContact O-N 2.77Å; H602-V604 HydrophobicContact CB-CG2 3.97Å; H602-V604 PolarHBondContact O-N 3.05Å
605L88.5Confident88.9Confident16 Ų1663.3 Ų63.38%0.08432%0.317CS..SBendtrans-111.7142.7174.5-63.1175.5000110.1V596 D599 L600 D609V596-L605 HydrophobicContact CG1-CD1 4.21Å; D599-L605 HydrophobicContact CB-CD1 3.75Å; D599-L605 HydrophobicContact CB-CG 3.95Å; D599-L605 PolarHBondContact O-N 2.92Å; L600-L605 HydrophobicContact CD2-CB 4.18Å; L600-L605 WeakPolarHBondContact CD2-O 3.42Å; L600-L605 HydrophobicContact CG-CB 4.47Å; L605-D609 HydrophobicContact CD2-CB 4.33Å
606N87.2Confident89.1Confident92 Ų9260.4 Ų60.449%0.49230%0.297SS..  trans-103.4167169-66.1-48.8000111.2D608 D609 L610N606-D608 VanDerWaalsContact C-N 3.28Å; N606-D608 PolarHBondContact O-N 3.37Å; N606-D609 PolarHBondContact N-OD2 3.27Å; N606-D609 WeakPolarHBondContact O-CB 3.34Å; N606-D609 PolarHBondContact O-N 3.24Å; N606-L610 PolarHBondContact O-N 3.3Å
607W89.7Confident89.3Confident1 Ų160 Ų600%0.00429%0.294CS..Hα-helixtrans-52.9-44176-179.4-96.3000113.4L7 F11 S14 M489 P581 D609 L610 L611 V616 Y618 I647L7-W607 HydrophobicContact CB-CZ3 4.2Å; L7-W607 HydrophobicContact CD2-CZ3 4.26Å; F11-W607 HydrophobicContact CB-CD2 3.99Å; F11-W607 HydrophobicContact CB-CE3 3.89Å; F11-W607 HydrophobicContact CB-CH2 4.11Å; F11-W607 HydrophobicContact CB-CZ2 4.21Å; F11-W607 HydrophobicContact CB-CZ3 3.95Å; F11-W607 HydrophobicContact CD2-CD2 4.34Å; F11-W607 AromaticContact CD2-CE2 3.71Å; F11-W607 HydrophobicContact CD2-CH2 4.35Å; F11-W607 AromaticContact CD2-CZ2 3.72Å; F11-W607 HydrophobicContact CD2-CZ2 3.72Å; F11-W607 AromaticContact CD2-NE1 3.89Å; F11-W607 HydrophobicContact CG-CZ2 4.38Å; S14-W607 VanDerWaalsContact OG-CB 3.28Å; S14-W607 WeakPolarHBondContact OG-CB 3.38Å; M489-W607 HydrophobicContact CE-CH2 4.08Å; P581-W607 HydrophobicContact CB-CH2 3.85Å; P581-W607 HydrophobicContact CB-CZ2 3.53Å; P581-W607 HydrophobicContact CG-CH2 4.04Å; P581-W607 HydrophobicContact CG-CZ2 3.85Å; W607-D609 PolarHBondContact O-N 2.98Å; W607-L610 HydrophobicContact CE3-CD1 3.97Å; W607-L610 HydrophobicContact CZ3-CD1 4.32Å; W607-L610 WeakPolarHBondContact O-CB 3.37Å; W607-L610 PolarHBondContact O-N 2.83Å; W607-L610 VanDerWaalsContact O-N 3.11Å; W607-L611 PolarHBondContact O-N 3.16Å; W607-V616 HydrophobicContact CH2-CG1 3.88Å; W607-V616 HydrophobicContact CZ2-CG1 3.93Å; W607-Y618 AromaticContact NE1-CZ 3.85Å; W607-Y618 PolarHBondContact NE1-OH 2.91Å; W607-I647 HydrophobicContact CH2-CD1 3.9Å
608D89Confident89.6Confident68 Ų6860.1 Ų60.136%0.36429%0.294SS..Hα-helixtrans-65.3-26.1179.8-67.4-34.4000112.3K15 N606 L611 K612K15-D608 IonicContact NZ-OD1 3.84Å; N606-D608 VanDerWaalsContact C-N 3.28Å; N606-D608 PolarHBondContact O-N 3.37Å; D608-L611 PolarHBondContact O-N 3.41Å; D608-K612 WeakPolarHBondContact O-CG 3.36Å; D608-K612 PolarHBondContact O-N 3.33Å
609D90.7Very high89.9Confident45 Ų4555.3 Ų55.324%0.24127%0.271CS..Hα-helixtrans-74.7-31.1176-56.2-43000111.6L605 N606 W607 L611 K612 K613L605-D609 HydrophobicContact CD2-CB 4.33Å; N606-D609 PolarHBondContact N-OD2 3.27Å; N606-D609 WeakPolarHBondContact O-CB 3.34Å; N606-D609 PolarHBondContact O-N 3.24Å; W607-D609 PolarHBondContact O-N 2.98Å; D609-L611 VanDerWaalsContact C-N 3.31Å; D609-K612 PolarHBondContact O-N 3.14Å; D609-K612 IonicContact OD1-NZ 3.7Å; D609-K613 WeakPolarHBondContact O-CB 3.11Å; D609-K613 WeakPolarHBondContact O-CG 3.22Å; D609-K613 PolarHBondContact O-N 2.76Å
610L91Very high90.1Very high0 Ų052.5 Ų52.50%026%0.256CS..Hα-helixtrans-63.6-39172.1-56.6176.1000111.6L7 V596 L600 N606 W607 G614 L615 V616L7-L610 HydrophobicContact CD2-CD1 3.68Å; V596-L610 HydrophobicContact CG1-CD2 3.58Å; L600-L610 HydrophobicContact CD1-CD1 3.86Å; L600-L610 HydrophobicContact CD1-CD2 4.13Å; L600-L610 HydrophobicContact CD2-CD1 3.87Å; L600-L610 HydrophobicContact CD2-CD2 4.2Å; L600-L610 HydrophobicContact CD2-CG 4.15Å; L600-L610 HydrophobicContact CG-CD1 4.44Å; L600-L610 HydrophobicContact CG-CD2 4.36Å; N606-L610 PolarHBondContact O-N 3.3Å; W607-L610 HydrophobicContact CE3-CD1 3.97Å; W607-L610 HydrophobicContact CZ3-CD1 4.32Å; W607-L610 WeakPolarHBondContact O-CB 3.37Å; W607-L610 PolarHBondContact O-N 2.83Å; W607-L610 VanDerWaalsContact O-N 3.11Å; L610-G614 PolarHBondContact O-N 3.45Å; L610-L615 HydrophobicContact CD2-CD1 3.91Å; L610-L615 PolarHBondContact O-N 2.75Å; L610-V616 HydrophobicContact CB-CG2 4.43Å
611L90.5Very high90.5Very high38 Ų3852.3 Ų52.320%0.19926%0.256CS..Hα-helixtrans-67.1-46.4175.5-64.6170.5000111.1W607 D608 D609 K613 G614 V616 Y618W607-L611 PolarHBondContact O-N 3.16Å; D608-L611 PolarHBondContact O-N 3.41Å; D609-L611 VanDerWaalsContact C-N 3.31Å; L611-K613 VanDerWaalsContact C-N 3.3Å; L611-K613 PolarHBondContact O-N 3.4Å; L611-G614 PolarHBondContact O-N 3.09Å; L611-V616 HydrophobicContact CD2-CB 4.45Å; L611-V616 HydrophobicContact CD2-CG1 4.33Å; L611-V616 WeakPolarHBondContact CD2-O 3.3Å; L611-Y618 HydrophobicContact CD1-CD2 4.4Å; L611-Y618 HydrophobicContact CD1-CE2 3.56Å; L611-Y618 HydrophobicContact CD2-CD2 3.86Å; L611-Y618 HydrophobicContact CD2-CE2 3.61Å; L611-Y618 HydrophobicContact CG-CE2 4.25Å
612K90Very high90.9Very high143 Ų14345.3 Ų45.362%0.62223%0.23SC*.Hα-helixtrans-62.5-35.2178.2-72171.6-170.5165.20112.9D608 D609 G614D608-K612 WeakPolarHBondContact O-CG 3.36Å; D608-K612 PolarHBondContact O-N 3.33Å; D609-K612 PolarHBondContact O-N 3.14Å; D609-K612 IonicContact OD1-NZ 3.7Å; K612-G614 PolarHBondContact O-N 2.99Å
613K89.8Confident91.3Very high123 Ų12339 Ų3954%0.53520%0.2SC..THydrogen-bonded Turntrans-77.5-6.3175.4-72.6-178.2178-176.40113.3D609 L611 L615D609-K613 WeakPolarHBondContact O-CB 3.11Å; D609-K613 WeakPolarHBondContact O-CG 3.22Å; D609-K613 PolarHBondContact O-N 2.76Å; L611-K613 VanDerWaalsContact C-N 3.3Å; L611-K613 PolarHBondContact O-N 3.4Å; K613-L615 VanDerWaalsContact C-N 3.33Å; K613-L615 HydrophobicContact CB-CD1 4.21Å; K613-L615 HydrophobicContact CB-CG 3.93Å; K613-L615 HydrophobicContact CD-CD1 4.41Å; K613-L615 PolarHBondContact O-N 2.79Å
614G90.6Very high91.8Very high8 Ų834.1 Ų34.18%0.08217%0.174CC..THydrogen-bonded Turntrans66.731.6-178.900000113.8R550 I584 L610 L611 K612R550-G614 WeakPolarHBondContact O-CA 3.41Å; R550-G614 PolarHBondContact O-N 3.45Å; I584-G614 WeakPolarHBondContact CD1-O 3.45Å; L610-G614 PolarHBondContact O-N 3.45Å; L611-G614 PolarHBondContact O-N 3.09Å; K612-G614 PolarHBondContact O-N 2.99Å
615L92.5Very high91.8Very high24 Ų2434.8 Ų34.813%0.12617%0.174CC..SBendtrans-87.2-34.1177-57.8178.6000112I584 L591 V592 V596 L610 K613I584-L615 PolarHBondContact N-O 2.97Å; I584-L615 VanDerWaalsContact N-O 3.16Å; L591-L615 HydrophobicContact CB-CD2 3.94Å; V592-L615 HydrophobicContact CG2-CB 4.13Å; V596-L615 HydrophobicContact CG1-CD1 3.97Å; V596-L615 HydrophobicContact CG2-CD1 4.2Å; L610-L615 HydrophobicContact CD2-CD1 3.91Å; L610-L615 PolarHBondContact O-N 2.75Å; K613-L615 VanDerWaalsContact C-N 3.33Å; K613-L615 HydrophobicContact CB-CD1 4.21Å; K613-L615 HydrophobicContact CB-CG 3.93Å; K613-L615 HydrophobicContact CD-CD1 4.41Å; K613-L615 PolarHBondContact O-N 2.79Å
616V93.6Very high92Very high2 Ų237.1 Ų37.11%0.01219%0.187CC..EExtended strand (participates in β ladder)trans-126.6143.91781760000107.3P581 Y582 V592 W607 L610 L611P581-V616 HydrophobicContact CB-CG1 3.82Å; Y582-V616 WeakPolarHBondContact O-CA 3.35Å; Y582-V616 WeakPolarHBondContact O-CG1 3.27Å; V592-V616 HydrophobicContact CG2-CG2 4.31Å; W607-V616 HydrophobicContact CH2-CG1 3.88Å; W607-V616 HydrophobicContact CZ2-CG1 3.93Å; L610-V616 HydrophobicContact CB-CG2 4.43Å; L611-V616 HydrophobicContact CD2-CB 4.45Å; L611-V616 HydrophobicContact CD2-CG1 4.33Å; L611-V616 WeakPolarHBondContact CD2-O 3.3Å
617E94.4Very high92.2Very high7 Ų733.7 Ų33.73%0.03317%0.17CC..EExtended strand (participates in β ladder)trans-137157.1170.367.3-176167.500112.2R549 R550 P581 Y582 I584 L619 H644R549-E617 IonicContact CZ-OE2 3.52Å; R549-E617 IonicContact NE-OE2 3.91Å; R549-E617 PolarHBondContact NE-OE2 3.1Å; R549-E617 VanDerWaalsContact NE-OE2 3.12Å; R549-E617 IonicContact NH2-OE1 3.69Å; R549-E617 PolarHBondContact NH2-OE1 3.34Å; R549-E617 IonicContact NH2-OE2 3.14Å; R549-E617 PolarHBondContact NH2-OE2 2.75Å; R550-E617 WeakPolarHBondContact CG-OE2 3.31Å; R550-E617 IonicContact CZ-OE1 3.49Å; R550-E617 IonicContact NE-OE1 3.57Å; R550-E617 PolarHBondContact NE-OE1 3.24Å; R550-E617 VanDerWaalsContact NE-OE1 3.15Å; R550-E617 IonicContact NE-OE2 2.66Å; R550-E617 PolarHBondContact NE-OE2 2.86Å; R550-E617 VanDerWaalsContact NE-OE2 3.15Å; R550-E617 IonicContact NH2-OE1 2.87Å; R550-E617 PolarHBondContact NH2-OE1 2.99Å; P581-E617 WeakPolarHBondContact CA-O 3.39Å; Y582-E617 PolarHBondContact N-O 3.31Å; Y582-E617 PolarHBondContact O-N 3.22Å; Y582-E617 VanDerWaalsContact O-N 3.1Å; I584-E617 HydrophobicContact CD1-CB 4.01Å; I584-E617 HydrophobicContact CD1-CG 3.81Å; I584-E617 HydrophobicContact CG1-CB 4.44Å; I584-E617 HydrophobicContact CG1-CG 3.79Å; E617-L619 HydrophobicContact CG-CD2 4.03Å; E617-H644 IonicContact OE1-CE1 3.6Å; E617-H644 IonicContact OE1-NE2 3.27Å; E617-H644 PolarHBondContact OE1-NE2 3.18Å
618Y94.6Very high92.3Very high5 Ų537.5 Ų37.52%0.0219%0.19CC..EExtended strand (participates in β ladder)trans-90.6124.2176.5-72.5-77.4000110.3F11 H491 F557 C579 R580 P581 W607 L611F11-Y618 HydrophobicContact CE2-CE1 4.07Å; F11-Y618 WeakPolarHBondContact CE2-OH 3.49Å; H491-Y618 HydrophobicContact CB-CE1 4.24Å; F557-Y618 AromaticContact CD1-CD2 3.86Å; F557-Y618 HydrophobicContact CD1-CD2 3.86Å; F557-Y618 AromaticContact CD1-CG 3.94Å; F557-Y618 HydrophobicContact CD1-CG 3.94Å; F557-Y618 HydrophobicContact CE1-CD1 4.1Å; F557-Y618 AromaticContact CE1-CD2 3.35Å; F557-Y618 HydrophobicContact CE1-CD2 3.35Å; F557-Y618 HydrophobicContact CE1-CE1 4.36Å; F557-Y618 AromaticContact CE1-CE2 3.62Å; F557-Y618 HydrophobicContact CE1-CE2 3.62Å; F557-Y618 AromaticContact CE1-CG 3.61Å; F557-Y618 HydrophobicContact CE1-CG 3.61Å; F557-Y618 HydrophobicContact CZ-CD2 4.22Å; F557-Y618 HydrophobicContact CZ-CE2 4.1Å; C579-Y618 HydrophobicContact CB-CD1 4.33Å; R580-Y618 WeakPolarHBondContact O-CA 3.42Å; P581-Y618 HydrophobicContact CB-CD1 3.89Å; P581-Y618 HydrophobicContact CB-CE1 3.71Å; P581-Y618 HydrophobicContact CG-CD1 4.38Å; P581-Y618 HydrophobicContact CG-CE1 3.95Å; W607-Y618 AromaticContact NE1-CZ 3.85Å; W607-Y618 PolarHBondContact NE1-OH 2.91Å; L611-Y618 HydrophobicContact CD1-CD2 4.4Å; L611-Y618 HydrophobicContact CD1-CE2 3.56Å; L611-Y618 HydrophobicContact CD2-CD2 3.86Å; L611-Y618 HydrophobicContact CD2-CE2 3.61Å; L611-Y618 HydrophobicContact CG-CE2 4.25Å
619L94.8Very high92.5Very high0 Ų036 Ų360%018%0.183CC..EExtended strand (participates in β ladder)trans-106137.2174.8-54.9-179.1000109.5C579 R580 Y582 E617 E623 L624C579-L619 CarbonylContact C-O 3.44Å; C579-L619 VanDerWaalsContact CA-O 3.26Å; C579-L619 WeakPolarHBondContact CA-O 3.09Å; R580-L619 PolarHBondContact N-O 2.86Å; R580-L619 PolarHBondContact O-N 3.11Å; Y582-L619 HydrophobicContact CD2-CB 3.97Å; Y582-L619 HydrophobicContact CD2-CD1 3.63Å; Y582-L619 HydrophobicContact CD2-CG 3.84Å; Y582-L619 HydrophobicContact CE2-CB 4.24Å; Y582-L619 HydrophobicContact CE2-CD1 4.25Å; Y582-L619 HydrophobicContact CG-CD1 4.06Å; E617-L619 HydrophobicContact CG-CD2 4.03Å; L619-E623 HydrophobicContact CD2-CG 4.1Å; L619-L624 HydrophobicContact CB-CD2 3.98Å; L619-L624 HydrophobicContact CB-CG 3.89Å; L619-L624 HydrophobicContact CD1-CD2 3.7Å; L619-L624 HydrophobicContact CD1-CG 4.45Å
620D94.5Very high92.6Very high3 Ų333.8 Ų33.82%0.01617%0.171CC..EExtended strand (participates in β ladder)trans-90171.8168.480.9-14.1000110.7S559 R577 F578 N622 E623 L624S559-D620 WeakPolarHBondContact CB-OD1 3.43Å; S559-D620 WeakPolarHBondContact CB-OD2 3.27Å; S559-D620 PolarHBondContact OG-OD1 3.18Å; S559-D620 PolarHBondContact OG-OD2 3.32Å; R577-D620 IonicContact NH1-OD2 2.75Å; F578-D620 WeakPolarHBondContact O-CA 3.37Å; D620-N622 PolarHBondContact O-N 2.89Å; D620-N622 PolarHBondContact OD1-N 3.32Å; D620-N622 PolarHBondContact OD2-ND2 3.49Å; D620-E623 PolarHBondContact O-N 3.44Å; D620-E623 WeakPolarHBondContact OD1-CB 3.33Å; D620-E623 PolarHBondContact OD1-N 2.81Å; D620-L624 WeakPolarHBondContact O-CB 3.35Å; D620-L624 VanDerWaalsContact O-CG 3.31Å; D620-L624 WeakPolarHBondContact O-CG 3.29Å; D620-L624 PolarHBondContact O-N 3.08Å
621V94.8Very high92.5Very high9 Ų936.7 Ų36.76%0.05519%0.186CC..Hα-helixtrans-59.6-34.3-178.6-174.40000112.5F346 L468F346-V621 HydrophobicContact CD2-CG1 4.42Å; F346-V621 HydrophobicContact CE1-CG1 4.32Å; F346-V621 HydrophobicContact CE2-CG1 3.61Å; F346-V621 HydrophobicContact CZ-CG1 3.53Å; L468-V621 HydrophobicContact CD1-CG2 3.23Å
622N93.6Very high92.3Very high4 Ų438 Ų382%0.02119%0.193CC..Hα-helixtrans-75.7-41.7-177.5-55.9-76.4000111.5R165 F346 G348 Y561 D620 L624 N625R165-N622 PolarHBondContact NH1-OD1 3.49Å; F346-N622 WeakPolarHBondContact CE1-OD1 3.21Å; G348-N622 WeakPolarHBondContact CA-OD1 3.47Å; Y561-N622 HydrophobicContact CD1-CB 3.37Å; Y561-N622 HydrophobicContact CD2-CB 4Å; Y561-N622 HydrophobicContact CE1-CB 3.33Å; Y561-N622 HydrophobicContact CE2-CB 3.97Å; Y561-N622 HydrophobicContact CG-CB 3.71Å; D620-N622 PolarHBondContact O-N 2.89Å; D620-N622 PolarHBondContact OD1-N 3.32Å; D620-N622 PolarHBondContact OD2-ND2 3.49Å; N622-L624 VanDerWaalsContact C-N 3.32Å; N622-N625 WeakPolarHBondContact O-CB 3.46Å; N622-N625 PolarHBondContact O-N 3.1Å
623E94.5Very high92Very high0 Ų034.8 Ų34.80%018%0.18CC..Hα-helixtrans-70.2-30.3176.6-173.9166.3-174.800111.8R546 R549 S559 V560 L619 D620 N625 D626 C627R546-E623 IonicContact CZ-OE1 3.63Å; R546-E623 IonicContact NE-OE1 3.89Å; R546-E623 PolarHBondContact NE-OE1 2.65Å; R546-E623 IonicContact NH2-OE1 3.37Å; R549-E623 IonicContact CZ-OE1 3.4Å; R549-E623 IonicContact CZ-OE2 3.95Å; R549-E623 IonicContact NH1-OE1 3.56Å; R549-E623 PolarHBondContact NH1-OE1 2.99Å; R549-E623 IonicContact NH1-OE2 3.13Å; R549-E623 PolarHBondContact NH1-OE2 3Å; R549-E623 IonicContact NH2-OE1 2.79Å; R549-E623 PolarHBondContact NH2-OE1 3.36Å; R549-E623 IonicContact NH2-OE2 2.79Å; S559-E623 WeakPolarHBondContact CA-OE2 2.95Å; S559-E623 WeakPolarHBondContact CB-OE2 3.34Å; V560-E623 PolarHBondContact N-OE2 3.44Å; V560-E623 WeakPolarHBondContact O-CG 3.34Å; L619-E623 HydrophobicContact CD2-CG 4.1Å; D620-E623 PolarHBondContact O-N 3.44Å; D620-E623 WeakPolarHBondContact OD1-CB 3.33Å; D620-E623 PolarHBondContact OD1-N 2.81Å; E623-N625 PolarHBondContact O-N 2.86Å; E623-D626 PolarHBondContact O-N 3.23Å; E623-C627 PolarHBondContact O-N 2.82Å; E623-C627 PolarHBondContact O-SG 2.93Å
624L93.3Very high91.7Very high31 Ų3132.8 Ų32.816%0.16218%0.181CC..Hα-helixtrans-59.8-30.8171.7-81.3171.3000113.1Y582 L619 D620 N622 D626 C627 V629Y582-L624 HydrophobicContact CD2-CD2 4.3Å; Y582-L624 HydrophobicContact CE2-CD1 4.19Å; Y582-L624 HydrophobicContact CE2-CD2 3.63Å; Y582-L624 HydrophobicContact CE2-CG 4.38Å; L619-L624 HydrophobicContact CB-CD2 3.98Å; L619-L624 HydrophobicContact CB-CG 3.89Å; L619-L624 HydrophobicContact CD1-CD2 3.7Å; L619-L624 HydrophobicContact CD1-CG 4.45Å; D620-L624 WeakPolarHBondContact O-CB 3.35Å; D620-L624 VanDerWaalsContact O-CG 3.31Å; D620-L624 WeakPolarHBondContact O-CG 3.29Å; D620-L624 PolarHBondContact O-N 3.08Å; N622-L624 VanDerWaalsContact C-N 3.32Å; L624-D626 PolarHBondContact O-N 2.89Å; L624-C627 PolarHBondContact O-N 3.23Å; L624-C627 VanDerWaalsContact O-N 3.15Å; L624-V629 HydrophobicContact CD2-CG2 4.13Å
625N91.1Very high91.4Very high111 Ų11133.8 Ų33.859%0.59419%0.187SC*.THydrogen-bonded Turntrans-65.3-25.8175.6-72.7-13.4000112.9F346 N622 E623F346-N625 WeakPolarHBondContact CZ-ND2 3.31Å; N622-N625 WeakPolarHBondContact O-CB 3.46Å; N622-N625 PolarHBondContact O-N 3.1Å; E623-N625 PolarHBondContact O-N 2.86Å
626D91.1Very high90.9Very high65 Ų6534.7 Ų34.735%0.34819%0.192SC..THydrogen-bonded Turntrans-87.4-8.4177.8-72.30.6000112.2R546 Y561 I562 E623 L624R546-D626 IonicContact NH2-OD2 3.69Å; Y561-D626 WeakPolarHBondContact CA-OD2 3.38Å; Y561-D626 WeakPolarHBondContact CB-OD2 3.23Å; I562-D626 PolarHBondContact N-OD2 3.43Å; E623-D626 PolarHBondContact O-N 3.23Å; L624-D626 PolarHBondContact O-N 2.89Å
627C91.6Very high90.2Very high20 Ų2040.3 Ų40.314%0.13523%0.226CC..  trans-110.4138.8-170.1-69.10000111.9E623 L624 T643E623-C627 PolarHBondContact O-N 2.82Å; E623-C627 PolarHBondContact O-SG 2.93Å; L624-C627 PolarHBondContact O-N 3.23Å; L624-C627 VanDerWaalsContact O-N 3.15Å; C627-T643 WeakPolarHBondContact CB-OG1 3.44Å
628L92.8Very high89.3Confident82 Ų8244.6 Ų44.643%0.42925%0.249SC..  trans-98.9119.7166.9-17167.1000109.2N640 Y642 T643 H644L628-N640 HydrophobicContact CD2-CB 4.08Å; L628-Y642 HydrophobicContact CD2-CD1 3.89Å; L628-Y642 HydrophobicContact CD2-CE1 4.01Å; L628-Y642 HydrophobicContact CD2-CG 4.41Å; L628-Y642 HydrophobicContact CG-CD1 3.69Å; L628-Y642 HydrophobicContact CG-CE1 3.93Å; L628-T643 PolarHBondContact N-OG1 3.38Å; L628-T643 VanDerWaalsContact N-OG1 3.17Å; L628-T643 PolarHBondContact O-N 2.91Å; L628-T643 PolarHBondContact O-OG1 2.78Å; L628-H644 PolarHBondContact O-N 3.26Å
629V92.9Very high88.5Confident35 Ų3547.3 Ų47.321%0.21228%0.279CS..EExtended strand (participates in β ladder)trans-108.9125.3-174.2-1740000110.4Y582 L624 H644 E646Y582-V629 HydrophobicContact CD1-CG1 3.81Å; Y582-V629 HydrophobicContact CE1-CG1 3.7Å; Y582-V629 HydrophobicContact CE1-CG2 4.34Å; L624-V629 HydrophobicContact CD2-CG2 4.13Å; V629-H644 CarbonylContact C-O 3.5Å; V629-H644 WeakPolarHBondContact CA-O 3.04Å; V629-H644 HydrophobicContact CG1-CB 4.47Å; V629-H644 HydrophobicContact CG2-CB 4.26Å; V629-E646 HydrophobicContact CG1-CB 4.39Å
630A92.7Very high87.9Confident0 Ų051.7 Ų51.70%030%0.303CS..EExtended strand (participates in β ladder)trans-78.8130.1171.700000110.3L585 C635 L636 Y642 H644 M645 E646L585-A630 HydrophobicContact CD1-CB 4.45Å; A630-C635 HydrophobicContact CB-CB 4.45Å; A630-L636 HydrophobicContact CB-CD2 3.75Å; A630-L636 HydrophobicContact CB-CG 4.47Å; A630-Y642 HydrophobicContact CB-CD1 3.66Å; A630-Y642 HydrophobicContact CB-CD2 4.39Å; A630-Y642 HydrophobicContact CB-CE1 4.01Å; A630-Y642 HydrophobicContact CB-CG 3.87Å; A630-H644 PolarHBondContact N-O 2.62Å; A630-M645 HydrophobicContact CB-CB 4.45Å; A630-M645 HydrophobicContact CB-CG 4.31Å; A630-M645 WeakPolarHBondContact O-CA 3.43Å; A630-E646 PolarHBondContact O-N 3.08Å
631M89.5Confident87.4Confident61 Ų6160 Ų6030%0.334%0.341SS..SBendtrans-72-49177.6-73.2-55.2-5900111.8K4 W466 E646 P649K4-M631 PolarHBondContact NZ-O 2.94Å; W466-M631 HydrophobicContact CH2-CE 4.13Å; W466-M631 HydrophobicContact CZ2-CE 3.58Å; W466-M631 HydrophobicContact CZ2-SD 3.86Å; M631-E646 HydrophobicContact CE-CG 4.38Å; M631-E646 HydrophobicContact SD-CB 4.49Å; M631-P649 HydrophobicContact CE-CB 3.84Å
632D84.8Confident87.3Confident66 Ų6661.1 Ų61.135%0.35335%0.345SS..SBendtrans-135.6166.4178.5-75.2-46.5000111K4 S634 C635K4-D632 IonicContact NZ-OD1 3.66Å; K4-D632 PolarHBondContact NZ-OD1 2.89Å; D632-S634 PolarHBondContact O-N 2.99Å; D632-C635 WeakPolarHBondContact O-CB 3.31Å; D632-C635 PolarHBondContact O-N 3.36Å; D632-C635 VanDerWaalsContact O-N 3.11Å
633E83.9Confident87.2Confident74 Ų7463.3 Ų63.335%0.34636%0.358SS..G310 helixtrans-62.4-25.9-179.8-62.8178.4162.200112.2M1 C635 L636 M645M1-E633 WeakPolarHBondContact CA-OE1 3.45Å; M1-E633 WeakPolarHBondContact CB-OE1 3.4Å; M1-E633 WeakPolarHBondContact CG-OE1 3.38Å; M1-E633 PolarHBondContact N-OE1 2.98Å; M1-E633 PolarHBondContact N-OE2 3.05Å; E633-C635 VanDerWaalsContact C-N 3.26Å; E633-C635 PolarHBondContact O-N 3.47Å; E633-L636 WeakPolarHBondContact O-CB 3.35Å; E633-L636 PolarHBondContact O-N 3.39Å; E633-M645 HydrophobicContact CG-SD 3.97Å
634S84.3Confident87.2Confident81 Ų8163.5 Ų63.557%0.56636%0.359SS*.G310 helixtrans-62.9-30175.6530000112.9D632 L636 T637D632-S634 PolarHBondContact O-N 2.99Å; S634-L636 PolarHBondContact O-N 3.31Å; S634-T637 PolarHBondContact O-OG1 3.46Å
635C84.4Confident87.1Confident30 Ų3062 Ų6220%0.20335%0.351CS..G310 helixtrans-72.3-19.8179.1-580000112.1A630 D632 E633 T637 D638 Y642A630-C635 HydrophobicContact CB-CB 4.45Å; D632-C635 WeakPolarHBondContact O-CB 3.31Å; D632-C635 PolarHBondContact O-N 3.36Å; D632-C635 VanDerWaalsContact O-N 3.11Å; E633-C635 VanDerWaalsContact C-N 3.26Å; E633-C635 PolarHBondContact O-N 3.47Å; C635-T637 PolarHBondContact O-N 3.38Å; C635-D638 WeakPolarHBondContact O-CB 3.22Å; C635-D638 VanDerWaalsContact O-CG 3.29Å; C635-D638 PolarHBondContact O-N 3.01Å; C635-Y642 HydrophobicContact CB-CE2 4.48Å; C635-Y642 WeakPolarHBondContact O-CE2 3.48Å; C635-Y642 PolarHBondContact O-OH 3.02Å
636L82.3Confident87.2Confident42 Ų4256.8 Ų56.822%0.2232%0.323CS..G310 helixtrans-67.5-15.5-178-61.1175.9000112.6L585 A630 E633 S634 D638 Y642 M645L585-L636 HydrophobicContact CD1-CD2 3.66Å; L585-L636 HydrophobicContact CD2-CD1 4.49Å; L585-L636 HydrophobicContact CD2-CD2 4.32Å; A630-L636 HydrophobicContact CB-CD2 3.75Å; A630-L636 HydrophobicContact CB-CG 4.47Å; E633-L636 WeakPolarHBondContact O-CB 3.35Å; E633-L636 PolarHBondContact O-N 3.39Å; S634-L636 PolarHBondContact O-N 3.31Å; L636-D638 VanDerWaalsContact C-N 3.32Å; L636-Y642 HydrophobicContact CD2-CD2 3.97Å; L636-Y642 HydrophobicContact CD2-CG 4.28Å; L636-M645 HydrophobicContact CD1-SD 4.41Å
637T77.9Confident87.3Confident120 Ų12053.7 Ų53.774%0.73631%0.306SS*.G310 helixtrans-80.7-9.7177.153.20000114S634 C635 G639S634-T637 PolarHBondContact O-OG1 3.46Å; C635-T637 PolarHBondContact O-N 3.38Å; T637-G639 PolarHBondContact O-N 3.46Å; T637-G639 VanDerWaalsContact O-N 3.08Å
638D76.7Confident87.3Confident97 Ų9753.3 Ų53.352%0.51930%0.303SS..SBendtrans-77.56.1-169.8-58.7-18.7000114.2C635 L636 N640C635-D638 WeakPolarHBondContact O-CB 3.22Å; C635-D638 VanDerWaalsContact O-CG 3.29Å; C635-D638 PolarHBondContact O-N 3.01Å; L636-D638 VanDerWaalsContact C-N 3.32Å; D638-N640 PolarHBondContact O-N 3.21Å; D638-N640 VanDerWaalsContact O-N 3.12Å
639G77.5Confident87.2Confident63 Ų6350.2 Ų50.265%0.64929%0.288SS*.SBendtrans73.4-5.9-178.400000115.3T637T637-G639 PolarHBondContact O-N 3.46Å; T637-G639 VanDerWaalsContact O-N 3.08Å
640N80.8Confident87.1Confident92 Ų9249 Ų4949%0.49228%0.281SS..  trans-70.4144.6176.7-73.2-30.5000112.3L628 D638 Y642L628-N640 HydrophobicContact CD2-CB 4.08Å; D638-N640 PolarHBondContact O-N 3.21Å; D638-N640 VanDerWaalsContact O-N 3.12Å; N640-Y642 HydrophobicContact CB-CD2 4.07Å; N640-Y642 HydrophobicContact CB-CE2 3.57Å; N640-Y642 WeakPolarHBondContact O-CD2 3.43Å; N640-Y642 PolarHBondContact O-N 3.24Å
641H85.6Confident87.2Confident178 Ų17849.1 Ų49.182%0.82428%0.282SS*.  trans-83.379.1175.9-64.4-54000111.5
642Y91.2Very high87.4Confident32 Ų3247 Ų4713%0.12527%0.272CS..  trans-69.6138.7174.4-63.7-82.9000111.9L585 L628 A630 C635 L636 N640L585-Y642 VanDerWaalsContact CD1-CB 3.42Å; L628-Y642 HydrophobicContact CD2-CD1 3.89Å; L628-Y642 HydrophobicContact CD2-CE1 4.01Å; L628-Y642 HydrophobicContact CD2-CG 4.41Å; L628-Y642 HydrophobicContact CG-CD1 3.69Å; L628-Y642 HydrophobicContact CG-CE1 3.93Å; A630-Y642 HydrophobicContact CB-CD1 3.66Å; A630-Y642 HydrophobicContact CB-CD2 4.39Å; A630-Y642 HydrophobicContact CB-CE1 4.01Å; A630-Y642 HydrophobicContact CB-CG 3.87Å; C635-Y642 HydrophobicContact CB-CE2 4.48Å; C635-Y642 WeakPolarHBondContact O-CE2 3.48Å; C635-Y642 PolarHBondContact O-OH 3.02Å; L636-Y642 HydrophobicContact CD2-CD2 3.97Å; L636-Y642 HydrophobicContact CD2-CG 4.28Å; N640-Y642 HydrophobicContact CB-CD2 4.07Å; N640-Y642 HydrophobicContact CB-CE2 3.57Å; N640-Y642 WeakPolarHBondContact O-CD2 3.43Å; N640-Y642 PolarHBondContact O-N 3.24Å
643T91.8Very high87.9Confident50 Ų5044.7 Ų44.731%0.30726%0.26SS..  trans-95.1-34.417959.70000112.3L585 C627 L628L585-T643 PolarHBondContact N-O 2.89Å; L585-T643 VanDerWaalsContact N-O 3.08Å; C627-T643 WeakPolarHBondContact CB-OG1 3.44Å; L628-T643 PolarHBondContact N-OG1 3.38Å; L628-T643 VanDerWaalsContact N-OG1 3.17Å; L628-T643 PolarHBondContact O-N 2.91Å; L628-T643 PolarHBondContact O-OG1 2.78Å
644H94.4Very high88.3Confident3 Ų341.2 Ų41.21%0.01424%0.243CC..EExtended strand (participates in β ladder)trans-143165.4-173.4-65.590000110.6I583 L585 E617 L628 V629 A630I583-H644 CarbonylContact O-C 3.47Å; I583-H644 VanDerWaalsContact O-CA 3.25Å; I583-H644 WeakPolarHBondContact O-CA 3.46Å; L585-H644 VanDerWaalsContact CD1-O 3.27Å; L585-H644 WeakPolarHBondContact CD1-O 3.37Å; E617-H644 IonicContact OE1-CE1 3.6Å; E617-H644 IonicContact OE1-NE2 3.27Å; E617-H644 PolarHBondContact OE1-NE2 3.18Å; L628-H644 PolarHBondContact O-N 3.26Å; V629-H644 CarbonylContact C-O 3.5Å; V629-H644 WeakPolarHBondContact CA-O 3.04Å; V629-H644 HydrophobicContact CG1-CB 4.47Å; V629-H644 HydrophobicContact CG2-CB 4.26Å; A630-H644 PolarHBondContact N-O 2.62Å
645M92.7Very high88.6Confident0 Ų037.5 Ų37.50%022%0.217CC..EExtended strand (participates in β ladder)trans-131.4141.2174.9-175.1176.369.800110.8M1 I583 L585 P590 A630 E633 L636M1-M645 HydrophobicContact CE-CE 3.94Å; I583-M645 HydrophobicContact CB-CB 4.31Å; I583-M645 HydrophobicContact CB-CE 4.36Å; I583-M645 HydrophobicContact CD1-CE 3.69Å; I583-M645 HydrophobicContact CG2-CE 4.19Å; I583-M645 PolarHBondContact N-O 3.2Å; I583-M645 PolarHBondContact O-N 2.91Å; L585-M645 HydrophobicContact CD1-CB 4.22Å; L585-M645 HydrophobicContact CD2-CB 4.04Å; L585-M645 HydrophobicContact CG-CB 4.14Å; P590-M645 HydrophobicContact CB-CE 3.88Å; P590-M645 HydrophobicContact CG-CE 4.35Å; A630-M645 HydrophobicContact CB-CB 4.45Å; A630-M645 HydrophobicContact CB-CG 4.31Å; A630-M645 WeakPolarHBondContact O-CA 3.43Å; E633-M645 HydrophobicContact CG-SD 3.97Å; L636-M645 HydrophobicContact CD1-SD 4.41Å
646E93Very high89.1Confident1 Ų136.2 Ų36.21%0.00521%0.208CC..  trans-70134.9177.2-16962.3-100.500110.9W466 R580 Y582 V629 A630 M631W466-E646 PolarHBondContact NE1-OE2 3.11Å; R580-E646 IonicContact CZ-OE1 2.86Å; R580-E646 VanDerWaalsContact CZ-OE1 3.31Å; R580-E646 IonicContact NE-OE1 3.8Å; R580-E646 PolarHBondContact NE-OE1 3.2Å; R580-E646 VanDerWaalsContact NE-OE1 3.09Å; R580-E646 IonicContact NE-OE2 3.26Å; R580-E646 IonicContact NH2-OE1 3.98Å; R580-E646 PolarHBondContact NH2-OE1 3.49Å; R580-E646 IonicContact NH2-OE2 3.72Å; Y582-E646 VanDerWaalsContact CE1-OE2 3.24Å; Y582-E646 WeakPolarHBondContact CE1-OE2 3.41Å; V629-E646 HydrophobicContact CG1-CB 4.39Å; A630-E646 PolarHBondContact O-N 3.08Å; M631-E646 HydrophobicContact CE-CG 4.38Å; M631-E646 HydrophobicContact SD-CB 4.49Å
647I92.4Very high89.7Confident0 Ų034.2 Ų34.20%020%0.198CC..SBendtrans-70.6-55.6-177.7-67.2171.8000110.1K4 L7 V8 M489 P581 I583 W607K4-I647 WeakPolarHBondContact CD-O 3.35Å; K4-I647 VanDerWaalsContact CE-O 3.24Å; K4-I647 WeakPolarHBondContact CE-O 3.39Å; K4-I647 VanDerWaalsContact CG-O 3.28Å; K4-I647 WeakPolarHBondContact CG-O 3.28Å; L7-I647 HydrophobicContact CB-CG2 3.74Å; L7-I647 HydrophobicContact CD1-CG2 4.07Å; V8-I647 HydrophobicContact CG2-CG2 4.08Å; M489-I647 HydrophobicContact CE-CD1 3.74Å; M489-I647 HydrophobicContact CE-CG2 4.41Å; M489-I647 HydrophobicContact SD-CB 4.29Å; M489-I647 HydrophobicContact SD-CD1 4.34Å; M489-I647 HydrophobicContact SD-CG2 4.17Å; P581-I647 HydrophobicContact CB-CD1 4.12Å; P581-I647 HydrophobicContact CG-CD1 4.11Å; P581-I647 WeakPolarHBondContact O-CD1 3.35Å; I583-I647 HydrophobicContact CD1-CG1 4.12Å; I583-I647 HydrophobicContact CG1-CG1 3.91Å; W607-I647 HydrophobicContact CH2-CD1 3.9Å
648D90.9Very high90.4Very high13 Ų1328.7 Ų28.77%0.0717%0.165CC..  trans-152.6118.3177.7-175.2-21000109.5V8 A650 T651V8-D648 HydrophobicContact CG2-CB 3.96Å; D648-A650 PolarHBondContact O-N 2.84Å; D648-A650 VanDerWaalsContact OD1-CB 3.28Å; D648-A650 WeakPolarHBondContact OD1-CB 3.41Å; D648-A650 PolarHBondContact OD1-N 3.32Å; D648-T651 HydrophobicContact CB-CG2 3.96Å; D648-T651 PolarHBondContact O-N 3.08Å; D648-T651 PolarHBondContact O-OG1 3.24Å
649P91.5Very high91.2Very high17 Ų1724.3 Ų24.311%0.1114%0.141CC..G310 helixtrans-62.2-25.4-179.326.2-35.1000113.4M631 T651 I652 F961M631-P649 HydrophobicContact CE-CB 3.84Å; P649-T651 PolarHBondContact O-N 3.38Å; P649-T651 VanDerWaalsContact O-N 3.17Å; P649-I652 WeakPolarHBondContact O-CG2 3.18Å; P649-I652 PolarHBondContact O-N 3.13Å; P649-F961 HydrophobicContact CB-CD2 3.92Å; P649-F961 HydrophobicContact CB-CE2 4.42Å; P649-F961 HydrophobicContact CG-CB 4.44Å; P649-F961 HydrophobicContact CG-CD2 4.25Å
650A92Very high92.1Very high8 Ų821.4 Ų21.47%0.06611%0.111CC..G310 helixtrans-62.9-24.8179.500000112.7D648 I652 L653 A960D648-A650 PolarHBondContact O-N 2.84Å; D648-A650 VanDerWaalsContact OD1-CB 3.28Å; D648-A650 WeakPolarHBondContact OD1-CB 3.41Å; D648-A650 PolarHBondContact OD1-N 3.32Å; A650-I652 PolarHBondContact O-N 2.75Å; A650-I652 VanDerWaalsContact O-N 3.15Å; A650-L653 PolarHBondContact O-N 3.28Å; A650-L653 VanDerWaalsContact O-N 3.11Å; A650-A960 HydrophobicContact CB-CB 4.05Å
651T93.1Very high92.8Very high3 Ų317 Ų172%0.0189%0.088CC..G310 helixtrans-75.82.5-177.166.20000114.1V8 L488 M489 R580 D648 P649V8-T651 HydrophobicContact CG1-CG2 3.97Å; V8-T651 HydrophobicContact CG2-CG2 3.88Å; L488-T651 HydrophobicContact CD2-CG2 4.09Å; L488-T651 PolarHBondContact N-O 3.18Å; M489-T651 HydrophobicContact CG-CG2 3.9Å; M489-T651 HydrophobicContact SD-CG2 4Å; R580-T651 PolarHBondContact NH1-OG1 3.17Å; R580-T651 PolarHBondContact NH2-OG1 3.05Å; D648-T651 HydrophobicContact CB-CG2 3.96Å; D648-T651 PolarHBondContact O-N 3.08Å; D648-T651 PolarHBondContact O-OG1 3.24Å; P649-T651 PolarHBondContact O-N 3.38Å; P649-T651 VanDerWaalsContact O-N 3.17Å
652I94.5Very high93.3Very high18 Ų188.9 Ų8.99%0.0925%0.05CC..G310 helixtrans-63-30.4162.3-168.1173.4000111.6W466 P471 P649 A650 F961W466-I652 HydrophobicContact CD2-CD1 3.96Å; W466-I652 HydrophobicContact CE3-CD1 3.4Å; W466-I652 VanDerWaalsContact CE3-CD1 3.4Å; W466-I652 HydrophobicContact CH2-CD1 3.75Å; W466-I652 HydrophobicContact CZ2-CD1 4.24Å; W466-I652 HydrophobicContact CZ3-CD1 3.3Å; P471-I652 WeakPolarHBondContact CD-O 3.35Å; P471-I652 HydrophobicContact CG-CG1 4.4Å; P649-I652 WeakPolarHBondContact O-CG2 3.18Å; P649-I652 PolarHBondContact O-N 3.13Å; A650-I652 PolarHBondContact O-N 2.75Å; A650-I652 VanDerWaalsContact O-N 3.15Å; I652-F961 HydrophobicContact CG2-CE2 4.1Å
653L94.8Very high93.5Very high17 Ų177.7 Ų7.79%0.0895%0.046CC..SBendtrans-77.9144.6176.4-58.7-178.7000110P471 L488 A650 A657 P663 A960P471-L653 HydrophobicContact CG-CD2 4.26Å; L488-L653 PolarHBondContact N-O 3.08Å; A650-L653 PolarHBondContact O-N 3.28Å; A650-L653 VanDerWaalsContact O-N 3.11Å; L653-A657 HydrophobicContact CB-CB 4Å; L653-A657 HydrophobicContact CD2-CB 4.19Å; L653-P663 HydrophobicContact CD1-CB 4.16Å; L653-P663 HydrophobicContact CD1-CG 3.65Å; L653-A960 HydrophobicContact CD1-CB 3.95Å
654G92.2Very high93.7Very high0 Ų08.6 Ų8.60%05%0.049CC..  trans-80.3-179.7171.800000111.6C470 V656 A657 G658C470-G654 PolarHBondContact SG-N 2.95Å; G654-V656 VanDerWaalsContact C-N 3.35Å; G654-V656 PolarHBondContact O-N 3.28Å; G654-A657 PolarHBondContact O-N 3.31Å; G654-G658 PolarHBondContact O-N 2.9Å
655V91.3Very high93.7Very high4 Ų412.3 Ų12.32%0.0247%0.066CC..THydrogen-bonded Turntrans-53.1-47.7-177.4177.20000113L17 L439 L488 M716L17-V655 HydrophobicContact CD1-CG2 3.59Å; L17-V655 HydrophobicContact CD2-CG2 4.23Å; L17-V655 HydrophobicContact CG-CG2 4.45Å; L439-V655 HydrophobicContact CB-CG1 4.14Å; L439-V655 HydrophobicContact CD1-CG1 4.21Å; L488-V655 HydrophobicContact CD1-CG2 4.29Å; V655-M716 HydrophobicContact CG1-CE 3.81Å; V655-M716 HydrophobicContact CG1-CG 4.18Å; V655-M716 HydrophobicContact CG1-SD 4.44Å; V655-M716 HydrophobicContact CG2-CE 4.05Å; V655-M716 HydrophobicContact CG2-SD 4.32Å
656V94Very high93.9Very high2 Ų213 Ų131%0.0127%0.07CC..THydrogen-bonded Turntrans-77.4-38.8-174.7-1700000111.7V436 G654 G658 L659 C675 K679V436-V656 HydrophobicContact CG1-CB 4.32Å; V436-V656 HydrophobicContact CG1-CG1 3.97Å; V436-V656 HydrophobicContact CG1-CG2 3.79Å; G654-V656 VanDerWaalsContact C-N 3.35Å; G654-V656 PolarHBondContact O-N 3.28Å; V656-G658 VanDerWaalsContact C-N 3.28Å; V656-G658 PolarHBondContact O-N 3.21Å; V656-L659 HydrophobicContact CG1-CD1 4.38Å; V656-L659 VanDerWaalsContact O-CB 3.31Å; V656-L659 WeakPolarHBondContact O-CB 3.44Å; V656-L659 WeakPolarHBondContact O-CG 3.05Å; V656-L659 PolarHBondContact O-N 3.25Å; V656-L659 VanDerWaalsContact O-N 3.16Å; V656-C675 HydrophobicContact CG1-CB 4.37Å; V656-C675 WeakPolarHBondContact CG1-O 3.4Å; V656-K679 HydrophobicContact CG1-CG 4.21Å; V656-K679 HydrophobicContact CG2-CG 4.34Å
657A95.1Very high94Very high0 Ų016.7 Ų16.70%09%0.087CC..G310 helixtrans-66.7-33.1176.100000111.8C470 L653 G654 L659 I660C470-A657 VanDerWaalsContact SG-CB 3.53Å; L653-A657 HydrophobicContact CB-CB 4Å; L653-A657 HydrophobicContact CD2-CB 4.19Å; G654-A657 PolarHBondContact O-N 3.31Å; A657-L659 PolarHBondContact O-N 3.46Å; A657-L659 VanDerWaalsContact O-N 3.13Å; A657-I660 WeakPolarHBondContact O-CB 3.43Å; A657-I660 WeakPolarHBondContact O-CG1 3.5Å; A657-I660 PolarHBondContact O-N 3.03Å; A657-I660 VanDerWaalsContact O-N 3.1Å
658G92.9Very high94.1Very high4 Ų420.6 Ų20.64%0.04111%0.114CC..G310 helixtrans-63.7-10.8173.500000114.1G654 V656 I660 S710G654-G658 PolarHBondContact O-N 2.9Å; V656-G658 VanDerWaalsContact C-N 3.28Å; V656-G658 PolarHBondContact O-N 3.21Å; G658-I660 VanDerWaalsContact C-N 3.29Å; G658-S710 WeakPolarHBondContact O-CB 3.36Å; G658-S710 PolarHBondContact O-OG 3.09Å
659L93.5Very high94.3Very high6 Ų622.1 Ų22.13%0.03112%0.124CC..G310 helixtrans-77.5-13.8173.1-56.8176.9000113.1V436 V656 A657 I713 F718 R897V436-L659 HydrophobicContact CB-CD1 4.19Å; V436-L659 HydrophobicContact CG1-CD1 3.48Å; V436-L659 VanDerWaalsContact CG1-CD1 3.48Å; V436-L659 HydrophobicContact CG2-CD1 3.64Å; V656-L659 HydrophobicContact CG1-CD1 4.38Å; V656-L659 VanDerWaalsContact O-CB 3.31Å; V656-L659 WeakPolarHBondContact O-CB 3.44Å; V656-L659 WeakPolarHBondContact O-CG 3.05Å; V656-L659 PolarHBondContact O-N 3.25Å; V656-L659 VanDerWaalsContact O-N 3.16Å; A657-L659 PolarHBondContact O-N 3.46Å; A657-L659 VanDerWaalsContact O-N 3.13Å; L659-I713 HydrophobicContact CD2-CD1 4.39Å; L659-I713 HydrophobicContact CD2-CG1 3.63Å; L659-F718 HydrophobicContact CD2-CB 4.2Å; L659-F718 HydrophobicContact CD2-CD1 3.87Å; L659-F718 HydrophobicContact CD2-CD2 4.41Å; L659-F718 HydrophobicContact CD2-CE1 4.37Å; L659-F718 HydrophobicContact CD2-CG 3.87Å; L659-R897 PolarHBondContact O-NE 3.36Å; L659-R897 PolarHBondContact O-NH2 3.46Å
660I96.2Very high94.5Very high2 Ų223 Ų231%0.0113%0.126CC..SBendtrans-79127.3-178.7-60161.2000108.3A657 G658 P663 N671 Q674A657-I660 WeakPolarHBondContact O-CB 3.43Å; A657-I660 WeakPolarHBondContact O-CG1 3.5Å; A657-I660 PolarHBondContact O-N 3.03Å; A657-I660 VanDerWaalsContact O-N 3.1Å; G658-I660 VanDerWaalsContact C-N 3.29Å; I660-P663 HydrophobicContact CB-CB 4.07Å; I660-P663 HydrophobicContact CG2-CB 3.78Å; I660-P663 WeakPolarHBondContact O-CD 2.86Å; I660-N671 HydrophobicContact CD1-CB 3.83Å; I660-Q674 HydrophobicContact CD1-CB 4.01Å; I660-Q674 HydrophobicContact CD1-CG 4.14Å; I660-Q674 HydrophobicContact CG1-CB 4.05Å; I660-Q674 HydrophobicContact CG1-CG 3.66Å
661P95.7Very high94.7Very high0 Ų023.1 Ų23.10%013%0.125CC..SBendtrans-79.8140.3171.332.9-25000108.9V708 R897 H898 E942 G958P661-V708 HydrophobicContact CB-CG1 3.81Å; P661-R897 VanDerWaalsContact CD-CZ 3.43Å; P661-H898 WeakPolarHBondContact CG-NE2 3.36Å; P661-H898 PolarHBondContact O-CE1 2.73Å; P661-E942 HydrophobicContact CG-CB 4.21Å; P661-E942 HydrophobicContact CG-CG 4.03Å; P661-G958 WeakPolarHBondContact CA-O 3.16Å
662Y96.1Very high94.9Very high7 Ų724.2 Ų24.23%0.02713%0.132CC..SBendtrans46.653.5-179.4-52.6-75.8000113.4D664 H665 N666 V708 L941 D957 G958 D964Y662-D664 PolarHBondContact O-N 3.28Å; Y662-H665 PolarHBondContact O-N 3.32Å; Y662-H665 VanDerWaalsContact O-N 3.16Å; Y662-N666 PolarHBondContact O-ND2 3.05Å; Y662-V708 HydrophobicContact CE2-CG1 4.01Å; Y662-L941 HydrophobicContact CD1-CD1 4.29Å; Y662-L941 HydrophobicContact CD2-CB 3.77Å; Y662-L941 HydrophobicContact CE2-CB 3.95Å; Y662-L941 HydrophobicContact CG-CB 4.18Å; Y662-L941 HydrophobicContact CG-CD1 4.2Å; Y662-D957 PolarHBondContact OH-O 3.37Å; Y662-G958 PolarHBondContact N-O 2.77Å; Y662-D964 PolarHBondContact OH-O 3.2Å; Y662-D964 VanDerWaalsContact OH-O 3.11Å
663P96.1Very high94.9Very high6 Ų626.5 Ų26.54%0.03914%0.14CC..G310 helixtrans-64.4-28.2-175.325.8-32.9000113.4L653 I660 H665 N666 N671 A960L653-P663 HydrophobicContact CD1-CB 4.16Å; L653-P663 HydrophobicContact CD1-CG 3.65Å; I660-P663 HydrophobicContact CB-CB 4.07Å; I660-P663 HydrophobicContact CG2-CB 3.78Å; I660-P663 WeakPolarHBondContact O-CD 2.86Å; P663-H665 PolarHBondContact O-N 2.97Å; P663-N666 PolarHBondContact O-N 3.28Å; P663-N671 PolarHBondContact O-ND2 3.35Å; P663-A960 HydrophobicContact CG-CB 3.55Å
664D94.7Very high95Very high69 Ų6925.8 Ų25.837%0.36914%0.136SC..G310 helixtrans-66.8-18.1176.549.8-71.4000113.4Y662 F961Y662-D664 PolarHBondContact O-N 3.28Å; D664-F961 HydrophobicContact CB-CD1 3.99Å; D664-F961 HydrophobicContact CB-CE1 3.84Å; D664-F961 PolarHBondContact OD1-N 2.92Å
665H95.5Very high95.2Very high81 Ų8125.8 Ų25.838%0.37514%0.136SC..G310 helixtrans-94.18.8174.8-69.973.7000113.5Y662 P663 V937 G938 L941Y662-H665 PolarHBondContact O-N 3.32Å; Y662-H665 VanDerWaalsContact O-N 3.16Å; P663-H665 PolarHBondContact O-N 2.97Å; H665-V937 HydrophobicContact CB-CB 4.36Å; H665-V937 PolarHBondContact O-N 3.26Å; H665-V937 VanDerWaalsContact O-N 3.17Å; H665-G938 PolarHBondContact O-N 2.89Å; H665-L941 HydrophobicContact CB-CD1 4.36Å
666N95.9Very high95.3Very high15 Ų1526.9 Ų26.98%0.0815%0.146CC..BIsolated β-bridgetrans-116.4147.7176.1-55.2-46.7000110.4Y662 P663 R670 N671 H898 T936 G938Y662-N666 PolarHBondContact O-ND2 3.05Å; P663-N666 PolarHBondContact O-N 3.28Å; N666-R670 HydrophobicContact CB-CB 4.39Å; N666-N671 WeakPolarHBondContact CB-OD1 3.31Å; N666-N671 PolarHBondContact ND2-OD1 2.7Å; N666-H898 PolarHBondContact ND2-ND1 3.49Å; N666-H898 PolarHBondContact OD1-ND1 2.79Å; N666-T936 WeakPolarHBondContact OD1-CA 3.34Å; N666-G938 PolarHBondContact OD1-N 2.86Å
667Q95.6Very high95.4Very high79 Ų7927.6 Ų27.637%0.36915%0.149SC..  trans-61.7143.6168.8-156.8-169.215.300111.4R670 M935Q667-R670 HydrophobicContact CB-CG 4.37Å; Q667-R670 VanDerWaalsContact O-CB 3.31Å; Q667-R670 WeakPolarHBondContact O-CB 3.49Å; Q667-R670 PolarHBondContact O-N 3.02Å; Q667-M935 HydrophobicContact CB-CE 4.45Å; Q667-M935 HydrophobicContact CG-CE 4.05Å
668S94.6Very high95.3Very high81 Ų8127.7 Ų27.757%0.56615%0.15SC*.Hα-helixtrans-53.9-36.6-174.764.10000116.3R670 N671 T672S668-R670 PolarHBondContact O-N 2.81Å; S668-N671 PolarHBondContact O-N 2.79Å; S668-T672 PolarHBondContact O-N 2.73Å; S668-T672 VanDerWaalsContact O-N 3.15Å; S668-T672 PolarHBondContact O-OG1 3.16Å; S668-T672 VanDerWaalsContact O-OG1 3.06Å
669P95.2Very high95.3Very high45 Ų4528.7 Ų28.729%0.29215%0.153SC..Hα-helixtrans-63.9-31.6177.1-21.635.4000112.3T672 Y673P669-T672 WeakPolarHBondContact O-CB 3.3Å; P669-T672 PolarHBondContact O-N 2.97Å; P669-Y673 HydrophobicContact CB-CE2 4.23Å; P669-Y673 VanDerWaalsContact O-CD2 3.32Å; P669-Y673 WeakPolarHBondContact O-CD2 3.42Å; P669-Y673 PolarHBondContact O-N 3.44Å
670R95.9Very high95.3Very high35 Ų3530.9 Ų30.913%0.13216%0.163CC..Hα-helixtrans-68.1-41.3-178.8-59.9-69.7158.8-162.8-7.2111.5N666 Q667 S668 T672 Y673 Q674 G899 R934 T936N666-R670 HydrophobicContact CB-CB 4.39Å; Q667-R670 HydrophobicContact CB-CG 4.37Å; Q667-R670 VanDerWaalsContact O-CB 3.31Å; Q667-R670 WeakPolarHBondContact O-CB 3.49Å; Q667-R670 PolarHBondContact O-N 3.02Å; S668-R670 PolarHBondContact O-N 2.81Å; R670-T672 VanDerWaalsContact C-N 3.31Å; R670-T672 PolarHBondContact O-N 3.22Å; R670-Y673 PolarHBondContact O-N 3.44Å; R670-Q674 PolarHBondContact O-N 2.82Å; R670-G899 PolarHBondContact NH1-O 2.99Å; R670-R934 VanDerWaalsContact CZ-CG 3.45Å; R670-T936 HydrophobicContact CB-CG2 3.97Å; R670-T936 HydrophobicContact CG-CG2 3.58Å
671N96.5Very high95.3Very high12 Ų1230.8 Ų30.86%0.06416%0.163CC..Hα-helixtrans-63.4-41.3173.1-65.1-22.5000110.8I660 P663 N666 S668 Q674 C675I660-N671 HydrophobicContact CD1-CB 3.83Å; P663-N671 PolarHBondContact O-ND2 3.35Å; N666-N671 WeakPolarHBondContact CB-OD1 3.31Å; N666-N671 PolarHBondContact ND2-OD1 2.7Å; S668-N671 PolarHBondContact O-N 2.79Å; N671-Q674 PolarHBondContact O-N 3.13Å; N671-C675 PolarHBondContact O-N 3.39Å; N671-C675 PolarHBondContact O-SG 3.45Å
672T96.3Very high95.2Very high26 Ų2630.9 Ų30.916%0.1616%0.163CC..Hα-helixtrans-62.6-45.4176.8-540000112.2S472 T474 S668 P669 R670 Q674 C675 A676S472-T672 VanDerWaalsContact O-CA 3.31Å; S472-T672 WeakPolarHBondContact O-CA 3.21Å; S472-T672 PolarHBondContact O-OG1 3.17Å; T474-T672 HydrophobicContact CG2-CG2 3.8Å; T474-T672 WeakPolarHBondContact O-CG2 3.14Å; S668-T672 PolarHBondContact O-N 2.73Å; S668-T672 VanDerWaalsContact O-N 3.15Å; S668-T672 PolarHBondContact O-OG1 3.16Å; S668-T672 VanDerWaalsContact O-OG1 3.06Å; P669-T672 WeakPolarHBondContact O-CB 3.3Å; P669-T672 PolarHBondContact O-N 2.97Å; R670-T672 VanDerWaalsContact C-N 3.31Å; R670-T672 PolarHBondContact O-N 3.22Å; T672-Q674 VanDerWaalsContact C-N 3.33Å; T672-Q674 PolarHBondContact O-N 2.98Å; T672-C675 WeakPolarHBondContact O-CB 3.45Å; T672-C675 PolarHBondContact O-N 3.37Å; T672-A676 PolarHBondContact O-N 3.05Å
673Y95.8Very high95Very high65 Ų6530.6 Ų30.626%0.25516%0.162SC..Hα-helixtrans-60.6-43.1175.1-65-23.9000111.9E476 P669 R670 C675 A676 M677E476-Y673 VanDerWaalsContact CD-CE1 3.45Å; E476-Y673 HydrophobicContact CG-CE1 4.36Å; E476-Y673 WeakPolarHBondContact OE1-CE1 3.38Å; E476-Y673 PolarHBondContact OE1-OH 3.39Å; E476-Y673 WeakPolarHBondContact OE2-CE1 3.43Å; P669-Y673 HydrophobicContact CB-CE2 4.23Å; P669-Y673 VanDerWaalsContact O-CD2 3.32Å; P669-Y673 WeakPolarHBondContact O-CD2 3.42Å; P669-Y673 PolarHBondContact O-N 3.44Å; R670-Y673 PolarHBondContact O-N 3.44Å; Y673-C675 VanDerWaalsContact C-N 3.32Å; Y673-C675 PolarHBondContact O-N 3.39Å; Y673-A676 PolarHBondContact O-N 3.27Å; Y673-M677 WeakPolarHBondContact O-CB 3.08Å; Y673-M677 WeakPolarHBondContact O-CG 3.3Å; Y673-M677 PolarHBondContact O-N 3.21Å
674Q96.5Very high94.9Very high2 Ų231.1 Ų31.11%0.00917%0.166CC..Hα-helixtrans-62.1-40.6176.9-179.357.324.300112.1I660 R670 N671 T672 A676 M677 G678 S895 S896 R897I660-Q674 HydrophobicContact CD1-CB 4.01Å; I660-Q674 HydrophobicContact CD1-CG 4.14Å; I660-Q674 HydrophobicContact CG1-CB 4.05Å; I660-Q674 HydrophobicContact CG1-CG 3.66Å; R670-Q674 PolarHBondContact O-N 2.82Å; N671-Q674 PolarHBondContact O-N 3.13Å; T672-Q674 VanDerWaalsContact C-N 3.33Å; T672-Q674 PolarHBondContact O-N 2.98Å; Q674-A676 PolarHBondContact O-N 2.86Å; Q674-M677 PolarHBondContact O-N 2.93Å; Q674-G678 PolarHBondContact O-N 3.49Å; Q674-S895 PolarHBondContact OE1-OG 3.13Å; Q674-S896 PolarHBondContact OE1-O 3.15Å; Q674-R897 VanDerWaalsContact CG-O 3.3Å; Q674-R897 WeakPolarHBondContact CG-O 3.03Å
675C95.8Very high94.7Very high0 Ų027.9 Ų27.90%015%0.148CC..Hα-helixtrans-57.6-38.8176.5-68.70000112.2D473 V656 N671 T672 Y673 K679D473-C675 HydrophobicContact CB-CB 4.22Å; D473-C675 WeakPolarHBondContact OD1-CB 3.24Å; V656-C675 HydrophobicContact CG1-CB 4.37Å; V656-C675 WeakPolarHBondContact CG1-O 3.4Å; N671-C675 PolarHBondContact O-N 3.39Å; N671-C675 PolarHBondContact O-SG 3.45Å; T672-C675 WeakPolarHBondContact O-CB 3.45Å; T672-C675 PolarHBondContact O-N 3.37Å; Y673-C675 VanDerWaalsContact C-N 3.32Å; Y673-C675 PolarHBondContact O-N 3.39Å; C675-K679 WeakPolarHBondContact O-CD 3.37Å; C675-K679 WeakPolarHBondContact O-CG 3.31Å
676A94.1Very high94.6Very high27 Ų2724.1 Ų24.122%0.22313%0.131CC..Hα-helixtrans-72.1-42.7175.300000112.4T672 Y673 Q674 Q680T672-A676 PolarHBondContact O-N 3.05Å; Y673-A676 PolarHBondContact O-N 3.27Å; Q674-A676 PolarHBondContact O-N 2.86Å; A676-Q680 WeakPolarHBondContact O-CG 3.44Å
677M94.7Very high94.4Very high18 Ų1828.3 Ų28.39%0.08915%0.153CC..Hα-helixtrans-71.3-40.6-177.2-67.5168.9-171.200112.4Y673 Q674 K679 Q680 A681 S895 K901 L1009Y673-M677 WeakPolarHBondContact O-CB 3.08Å; Y673-M677 WeakPolarHBondContact O-CG 3.3Å; Y673-M677 PolarHBondContact O-N 3.21Å; Q674-M677 PolarHBondContact O-N 2.93Å; M677-K679 PolarHBondContact O-N 3.25Å; M677-Q680 CarbonylContact O-C 3.48Å; M677-Q680 WeakPolarHBondContact O-CA 3.46Å; M677-Q680 WeakPolarHBondContact O-CB 3.35Å; M677-Q680 PolarHBondContact O-N 2.99Å; M677-A681 PolarHBondContact O-N 3.14Å; M677-S895 PolarHBondContact SD-OG 3.49Å; M677-S895 VanDerWaalsContact SD-OG 3.36Å; M677-K901 HydrophobicContact CE-CB 3.75Å; M677-K901 HydrophobicContact CE-CD 3.78Å; M677-K901 HydrophobicContact CE-CG 3.95Å; M677-K901 HydrophobicContact SD-CB 4.11Å; M677-L1009 HydrophobicContact CB-CD2 4.3Å; M677-L1009 HydrophobicContact CG-CD1 4.49Å
678G93.6Very high94.3Very high2 Ų225.1 Ų25.12%0.02114%0.138CC..Hα-helixtrans-61.5-30.1177.900000113.3Q674 Q680Q674-G678 PolarHBondContact O-N 3.49Å; G678-Q680 VanDerWaalsContact C-N 3.26Å; G678-Q680 PolarHBondContact O-N 3.4Å
679K94Very high94.2Very high25 Ų2522.6 Ų22.611%0.10912%0.118CC..THydrogen-bonded Turntrans-72.1-18.9171.5-65.6170.9-170.1174.10113.1A437 D473 N485 V656 C675 M677A437-K679 HydrophobicContact CB-CB 4.3Å; A437-K679 VanDerWaalsContact CB-O 3.27Å; A437-K679 WeakPolarHBondContact CB-O 3.44Å; D473-K679 WeakPolarHBondContact OD1-CE 3.46Å; D473-K679 IonicContact OD1-NZ 3.3Å; D473-K679 PolarHBondContact OD1-NZ 2.97Å; D473-K679 IonicContact OD2-NZ 3.52Å; D473-K679 PolarHBondContact OD2-NZ 3.38Å; N485-K679 PolarHBondContact ND2-NZ 3.38Å; V656-K679 HydrophobicContact CG1-CG 4.21Å; V656-K679 HydrophobicContact CG2-CG 4.34Å; C675-K679 WeakPolarHBondContact O-CD 3.37Å; C675-K679 WeakPolarHBondContact O-CG 3.31Å; M677-K679 PolarHBondContact O-N 3.25Å
680Q93.5Very high94Very high52 Ų5224.9 Ų24.924%0.24312%0.124CC..THydrogen-bonded Turntrans-101.2-9-179.4-61.5175.714.300113.2A676 M677 G678 K1010 H1011A676-Q680 WeakPolarHBondContact O-CG 3.44Å; M677-Q680 CarbonylContact O-C 3.48Å; M677-Q680 WeakPolarHBondContact O-CA 3.46Å; M677-Q680 WeakPolarHBondContact O-CB 3.35Å; M677-Q680 PolarHBondContact O-N 2.99Å; G678-Q680 VanDerWaalsContact C-N 3.26Å; G678-Q680 PolarHBondContact O-N 3.4Å; Q680-K1010 HydrophobicContact CB-CG 4.38Å; Q680-K1010 PolarHBondContact O-N 2.77Å; Q680-H1011 PolarHBondContact OE1-CD2 3.14Å; Q680-H1011 PolarHBondContact OE1-NE2 3.37Å
681A94.9Very high93.8Very high0 Ų026.2 Ų26.20%013%0.134CC..BIsolated β-bridgetrans-61.3136.3177.300000110.6S434 M677 A723 Q1007 R1008S434-A681 WeakPolarHBondContact CB-O 3.41Å; M677-A681 PolarHBondContact O-N 3.14Å; A681-A723 HydrophobicContact CB-CB 4.17Å; A681-Q1007 HydrophobicContact CB-CB 3.88Å; A681-Q1007 HydrophobicContact CB-CG 4.26Å; A681-R1008 WeakPolarHBondContact CA-O 3.49Å
682I94.5Very high93.6Very high2 Ų225.8 Ų25.81%0.0113%0.131CC..  trans-79.6130.7173.9-57.8173.1000107.8C698 M700 A723 A757 R1008 M1012I682-C698 HydrophobicContact CB-CB 4.37Å; I682-C698 HydrophobicContact CD1-CB 4.24Å; I682-C698 HydrophobicContact CG1-CB 3.91Å; I682-C698 HydrophobicContact CG2-CB 3.74Å; I682-M700 HydrophobicContact CG2-CB 4.39Å; I682-A723 CarbonylContact O-C 3.48Å; I682-A757 HydrophobicContact CD1-CB 4.21Å; I682-A757 HydrophobicContact CG2-CB 4.29Å; I682-R1008 HydrophobicContact CD1-CG 4.36Å; I682-R1008 PolarHBondContact N-O 2.7Å; I682-M1012 HydrophobicContact CD1-CE 4.34Å
683G92Very high93.4Very high0 Ų025.6 Ų25.60%013%0.128CC..BIsolated β-bridgetrans-157.3-156.8-179.200000112.1M700G683-M700 PolarHBondContact O-N 2.99Å
684T92.8Very high93.2Very high18 Ų1823.9 Ų23.911%0.1112%0.123CC..  trans-83.7127.7168.2-53.70000109Y435 L721 P722Y435-T684 PolarHBondContact N-O 2.88Å; T684-L721 HydrophobicContact CG2-CD2 3.62Å; T684-P722 PolarHBondContact N-O 3.46Å
685V91.9Very high93Very high1 Ų128.3 Ų28.31%0.00615%0.15CC..  trans-83.4-46.7-178.2177.80000111R432 Q697R432-V685 HydrophobicContact CB-CG1 4.01Å; R432-V685 HydrophobicContact CG-CG1 4.48Å; R432-V685 WeakPolarHBondContact O-CG2 3.46Å; V685-Q697 HydrophobicContact CG2-CG 4.35Å
686A92Very high92.8Very high2 Ų232.1 Ų32.12%0.01717%0.17CC..  trans-165.5164.5-178.400000109.2C138 N688 Q689C138-A686 HydrophobicContact CB-CB 4.02Å; A686-N688 VanDerWaalsContact C-N 3.28Å; A686-N688 WeakPolarHBondContact CB-OD1 3.39Å; A686-N688 PolarHBondContact O-N 3.2Å; A686-Q689 WeakPolarHBondContact O-CB 3.14Å; A686-Q689 WeakPolarHBondContact O-CG 3.37Å; A686-Q689 PolarHBondContact O-N 3.41Å
687L92.9Very high92.7Very high102 Ų10230.9 Ų30.953%0.53416%0.16SC..THydrogen-bonded Turntrans-66-30.5175.7-63175.2000112.7C138 Q689 L721C138-L687 HydrophobicContact CB-CB 4.36Å; C138-L687 PolarHBondContact SG-N 3.09Å; L687-Q689 PolarHBondContact O-N 2.87Å; L687-L721 HydrophobicContact CD2-CD2 3.88Å; L687-L721 HydrophobicContact CG-CD2 4.34Å
688N93.2Very high92.6Very high12 Ų1230.1 Ų30.16%0.06416%0.157CC..THydrogen-bonded Turntrans-86.518.3177.367.9-13.9000113.9K136 E137 A686 Q690 I691 R692K136-N688 PolarHBondContact O-ND2 3.34Å; E137-N688 PolarHBondContact OE2-ND2 3.44Å; E137-N688 VanDerWaalsContact OE2-ND2 3.15Å; A686-N688 VanDerWaalsContact C-N 3.28Å; A686-N688 WeakPolarHBondContact CB-OD1 3.39Å; A686-N688 PolarHBondContact O-N 3.2Å; N688-Q690 PolarHBondContact O-N 3.27Å; N688-Q690 VanDerWaalsContact O-N 3.16Å; N688-I691 HydrophobicContact CB-CD1 3.9Å; N688-I691 HydrophobicContact CB-CG1 3.85Å; N688-I691 WeakPolarHBondContact O-CG1 3.45Å; N688-I691 PolarHBondContact O-N 2.54Å; N688-R692 PolarHBondContact O-N 2.85Å; N688-R692 PolarHBondContact OD1-NE 2.91Å; N688-R692 VanDerWaalsContact OD1-NE 3.1Å
689Q92.1Very high92.6Very high28 Ų2830.4 Ų30.413%0.13116%0.158CC..THydrogen-bonded Turntrans-60.2-26.7-175.664.9178.35.800114.6A686 L687 Q697 Q699A686-Q689 WeakPolarHBondContact O-CB 3.14Å; A686-Q689 WeakPolarHBondContact O-CG 3.37Å; A686-Q689 PolarHBondContact O-N 3.41Å; L687-Q689 PolarHBondContact O-N 2.87Å; Q689-Q697 VanDerWaalsContact CB-NE2 3.28Å; Q689-Q697 PolarHBondContact O-NE2 3.17Å; Q689-Q699 PolarHBondContact O-NE2 2.86Å
690Q91.1Very high92.6Very high93 Ų9329.6 Ų29.644%0.43515%0.154SC..THydrogen-bonded Turntrans-77-23.5-180-66.1-57.1-23.200114N688 K865N688-Q690 PolarHBondContact O-N 3.27Å; N688-Q690 VanDerWaalsContact O-N 3.16Å; Q690-K865 WeakPolarHBondContact O-CE 3.46Å; Q690-K865 PolarHBondContact O-NZ 3.37Å
691I92.2Very high92.7Very high64 Ų6429.8 Ų29.833%0.32816%0.159SC..THydrogen-bonded Turntrans-97.9-12.8-178.557172.1000112.9K136 N688K136-I691 HydrophobicContact CB-CD1 3.55Å; K136-I691 HydrophobicContact CD-CD1 4.15Å; K136-I691 HydrophobicContact CG-CD1 3.92Å; N688-I691 HydrophobicContact CB-CD1 3.9Å; N688-I691 HydrophobicContact CB-CG1 3.85Å; N688-I691 WeakPolarHBondContact O-CG1 3.45Å; N688-I691 PolarHBondContact O-N 2.54Å
692R92.1Very high92.8Very high3 Ų336.4 Ų36.41%0.01119%0.185CC..  trans-71.7159.6178-73.7-177.2173.1-133.7-4.9112.9E137 E152 N688 K865E137-R692 IonicContact OE2-NH2 3.31Å; E152-R692 IonicContact OE1-CZ 3.67Å; E152-R692 IonicContact OE1-NH1 3.34Å; E152-R692 PolarHBondContact OE1-NH1 3.21Å; E152-R692 IonicContact OE1-NH2 2.7Å; E152-R692 PolarHBondContact OE1-NH2 3.05Å; E152-R692 IonicContact OE2-NH1 2.77Å; N688-R692 PolarHBondContact O-N 2.85Å; N688-R692 PolarHBondContact OD1-NE 2.91Å; N688-R692 VanDerWaalsContact OD1-NE 3.1Å; R692-K865 PolarHBondContact O-NZ 2.91Å
693F91.9Very high92.8Very high22 Ų2238.4 Ų38.410%0.09620%0.198CC..  trans-129.365174.9-80.6-101.7000109.4L81 R762 K865 M867 K879 L881L81-F693 HydrophobicContact CD2-CB 4.24Å; L81-F693 HydrophobicContact CD2-CD2 3.42Å; L81-F693 VanDerWaalsContact CD2-CD2 3.42Å; L81-F693 HydrophobicContact CD2-CE2 4.14Å; L81-F693 HydrophobicContact CD2-CG 4.2Å; F693-R762 WeakPolarHBondContact O-CD 3.47Å; F693-K865 HydrophobicContact CE1-CB 4.14Å; F693-K865 HydrophobicContact CE2-CD 4.31Å; F693-K865 HydrophobicContact CZ-CB 3.69Å; F693-K865 HydrophobicContact CZ-CD 4.2Å; F693-M867 HydrophobicContact CE1-CB 4.07Å; F693-M867 HydrophobicContact CE2-CB 4.21Å; F693-M867 HydrophobicContact CZ-CB 3.64Å; F693-K879 HydrophobicContact CD1-CB 4.03Å; F693-K879 HydrophobicContact CE1-CB 4.24Å; F693-L881 HydrophobicContact CD1-CB 4.05Å; F693-L881 HydrophobicContact CE1-CB 3.9Å
694D91.4Very high93Very high29 Ų2942.2 Ų42.216%0.15522%0.215CC..  trans-79.4155.3177.8-67.3-29.2000110.9Q697 R762D694-Q697 HydrophobicContact CB-CB 4.25Å; D694-R762 VanDerWaalsContact O-CB 3.25Å; D694-R762 WeakPolarHBondContact O-CB 3.16Å
695T91.5Very high93Very high94 Ų9446.7 Ų46.758%0.57723%0.233SC*.SBendtrans-64.1-44.1-177.7-610000112R761 R762T695-R761 WeakPolarHBondContact O-CA 2.92Å; T695-R762 PolarHBondContact O-N 3.13Å
696L92Very high93.2Very high80 Ų8046.7 Ų46.742%0.41923%0.233SC..EExtended strand (participates in β ladder)trans-140.2127.3172.9176.669.9000107.3V759 Y760 R761L696-V759 HydrophobicContact CD1-CG1 3.73Å; L696-Y760 WeakPolarHBondContact CA-O 3.44Å; L696-R761 HydrophobicContact CD1-CG 4.08Å
697Q92Very high93.3Very high1 Ų148.4 Ų48.41%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-137.7128.4176.6178.7-17618.400108.8V685 Q689 D694 Q699 Y760V685-Q697 HydrophobicContact CG2-CG 4.35Å; Q689-Q697 VanDerWaalsContact CB-NE2 3.28Å; Q689-Q697 PolarHBondContact O-NE2 3.17Å; D694-Q697 HydrophobicContact CB-CB 4.25Å; Q697-Q699 HydrophobicContact CG-CG 4.15Å; Q697-Y760 PolarHBondContact N-O 2.87Å; Q697-Y760 PolarHBondContact O-N 3.03Å
698C93.1Very high93.4Very high3 Ų343.6 Ų43.62%0.0222%0.217CC..EExtended strand (participates in β ladder)trans-112.1122178-59.30000108I682I682-C698 HydrophobicContact CB-CB 4.37Å; I682-C698 HydrophobicContact CD1-CB 4.24Å; I682-C698 HydrophobicContact CG1-CB 3.91Å; I682-C698 HydrophobicContact CG2-CB 3.74Å
699Q94Very high93.5Very high8 Ų843.1 Ų43.14%0.03721%0.214CC..EExtended strand (participates in β ladder)trans-117.1138.8179.2-61.2179.83.800109.3Q689 Q697 A757 C758 Y760Q689-Q699 PolarHBondContact O-NE2 2.86Å; Q697-Q699 HydrophobicContact CG-CG 4.15Å; Q699-A757 CarbonylContact O-C 3.57Å; Q699-A757 VanDerWaalsContact O-CA 3.26Å; Q699-A757 WeakPolarHBondContact O-CA 3.42Å; Q699-C758 PolarHBondContact N-O 2.91Å; Q699-C758 PolarHBondContact O-N 3.32Å; Q699-Y760 HydrophobicContact CB-CE2 4.35Å; Q699-Y760 VanDerWaalsContact CD-CE2 3.45Å; Q699-Y760 HydrophobicContact CG-CD2 4.21Å; Q699-Y760 HydrophobicContact CG-CE2 4.04Å
700M94.4Very high93.4Very high8 Ų842 Ų424%0.03921%0.209CC..EExtended strand (participates in β ladder)trans-87.7138.7168.1-173.4170.6-77.300109.2I682 G683 P703 Q725 R1008I682-M700 HydrophobicContact CG2-CB 4.39Å; G683-M700 PolarHBondContact O-N 2.99Å; M700-P703 HydrophobicContact CB-CB 4.39Å; M700-P703 HydrophobicContact CG-CB 4.44Å; M700-P703 HydrophobicContact SD-CB 4.31Å; M700-Q725 HydrophobicContact SD-CG 3.85Å; M700-R1008 HydrophobicContact CE-CB 4.12Å
701V95Very high93.4Very high56 Ų5639.8 Ų39.834%0.33920%0.198SC..SBendtrans-74.6-44.3-176.7-178.20000111.6P703 R756V701-P703 VanDerWaalsContact C-CD 3.46Å; V701-P703 WeakPolarHBondContact O-CD 3.41Å; V701-R756 HydrophobicContact CB-CB 4.23Å; V701-R756 HydrophobicContact CB-CG 4.41Å; V701-R756 HydrophobicContact CG2-CB 4.04Å; V701-R756 HydrophobicContact CG2-CG 3.76Å; V701-R756 PolarHBondContact N-O 3.01Å
702Y96.2Very high93.2Very high139 Ų13937.3 Ų37.355%0.54519%0.186SC..SBendtrans-123.564.6-177.5-54.7-67.9000111.7Q725Y702-Q725 VanDerWaalsContact O-CG 3.27Å; Y702-Q725 WeakPolarHBondContact O-CG 3.43Å; Y702-Q725 PolarHBondContact O-NE2 3.45Å
703P95Very high93.2Very high43 Ų4337.1 Ų37.128%0.27919%0.185SC..  trans-67.1142.7178.932.8-36.6000110.4M700 V701 P722M700-P703 HydrophobicContact CB-CB 4.39Å; M700-P703 HydrophobicContact CG-CB 4.44Å; M700-P703 HydrophobicContact SD-CB 4.31Å; V701-P703 VanDerWaalsContact C-CD 3.46Å; V701-P703 WeakPolarHBondContact O-CD 3.41Å; P703-P722 HydrophobicContact CB-CG 4.17Å
704Q95.6Very high93Very high80 Ų8040.8 Ų40.837%0.37420%0.203SC..  trans-121.4151.2179.1-61.6175.7-2.800110.9P722 G724 Q725 N726 Y1005Q704-P722 WeakPolarHBondContact O-CB 3.38Å; Q704-P722 WeakPolarHBondContact O-CG 3.07Å; Q704-G724 PolarHBondContact N-O 2.76Å; Q704-Q725 HydrophobicContact CG-CG 4.23Å; Q704-N726 PolarHBondContact OE1-ND2 2.97Å; Q704-N726 VanDerWaalsContact OE1-ND2 3.08Å; Q704-Y1005 WeakPolarHBondContact O-CE2 3.45Å; Q704-Y1005 PolarHBondContact O-OH 3.22Å
705K94.3Very high92.7Very high113 Ų11341.1 Ų41.149%0.49120%0.204SC..  trans-7014417062.6-178.4177.9-178.40110.8N726 I955K705-N726 PolarHBondContact O-ND2 2.84Å; K705-I955 HydrophobicContact CD-CD1 4.4Å
706P95.4Very high92.4Very high0 Ų037.3 Ų37.30%018%0.18CC..  trans-64.2141.3171.7-17.329.5000111.5Q709 F718 Y1005P706-Q709 HydrophobicContact CB-CG 4.27Å; P706-Q709 VanDerWaalsContact O-CG 3.25Å; P706-Q709 WeakPolarHBondContact O-CG 3.34Å; P706-Q709 PolarHBondContact O-NE2 3.15Å; P706-F718 HydrophobicContact CG-CE1 4.11Å; P706-Y1005 HydrophobicContact CB-CD2 3.9Å; P706-Y1005 HydrophobicContact CB-CE2 4.19Å; P706-Y1005 HydrophobicContact CB-CG 4.13Å; P706-Y1005 HydrophobicContact CG-CD1 4.41Å; P706-Y1005 HydrophobicContact CG-CD2 3.99Å; P706-Y1005 HydrophobicContact CG-CE1 4.21Å; P706-Y1005 HydrophobicContact CG-CE2 3.81Å; P706-Y1005 HydrophobicContact CG-CG 4.25Å
707L94.8Very high92.3Very high39 Ų3937.3 Ų37.320%0.20418%0.177CC..SBendtrans-76.8-34.9175.9-67.7175.9000113.3N726 A950 I955 R956 P1003L707-N726 HydrophobicContact CD1-CB 4.47Å; L707-N726 PolarHBondContact N-OD1 3.11Å; L707-A950 HydrophobicContact CD1-CB 4.26Å; L707-I955 WeakPolarHBondContact O-CG2 3.33Å; L707-R956 PolarHBondContact O-N 2.86Å; L707-R956 VanDerWaalsContact O-N 3.14Å; L707-P1003 HydrophobicContact CD1-CB 3.95Å; L707-P1003 HydrophobicContact CD1-CG 3.91Å
708V95.1Very high92.2Very high0 Ų037.4 Ų37.40%018%0.178CC..EExtended strand (participates in β ladder)trans-101.2114.2169.1175.20000108.3P661 Y662 R897 E942 S946 R956P661-V708 HydrophobicContact CB-CG1 3.81Å; Y662-V708 HydrophobicContact CE2-CG1 4.01Å; V708-R897 PolarHBondContact O-NH1 2.75Å; V708-R897 PolarHBondContact O-NH2 3.06Å; V708-E942 HydrophobicContact CB-CG 4.3Å; V708-E942 HydrophobicContact CG2-CG 4.41Å; V708-S946 VanDerWaalsContact CG2-N 3.3Å; V708-S946 WeakPolarHBondContact CG2-OG 3.26Å; V708-R956 HydrophobicContact CG2-CB 4.19Å
709Q93.4Very high92.1Very high3 Ų339.8 Ų39.81%0.01419%0.19CC..EExtended strand (participates in β ladder)trans-116.6138.4-177-62.7-177.1-0.800110P706 I713 I955 R956 D957 G958P706-Q709 HydrophobicContact CB-CG 4.27Å; P706-Q709 VanDerWaalsContact O-CG 3.25Å; P706-Q709 WeakPolarHBondContact O-CG 3.34Å; P706-Q709 PolarHBondContact O-NE2 3.15Å; Q709-I713 HydrophobicContact CB-CG2 4.35Å; Q709-I713 HydrophobicContact CG-CG2 4.26Å; Q709-I955 HydrophobicContact CB-CG2 3.91Å; Q709-I955 HydrophobicContact CG-CG2 3.63Å; Q709-R956 PolarHBondContact N-O 3.22Å; Q709-D957 WeakPolarHBondContact O-CA 3.39Å; Q709-G958 PolarHBondContact O-N 3.4Å
710S91.9Very high92Very high3 Ų344.7 Ų44.72%0.02121%0.213CC..  trans-76.2153.9160.561.10000109.4G658 T712 I713 S959G658-S710 WeakPolarHBondContact O-CB 3.36Å; G658-S710 PolarHBondContact O-OG 3.09Å; S710-T712 PolarHBondContact O-N 3.04Å; S710-T712 VanDerWaalsContact O-N 3.15Å; S710-I713 WeakPolarHBondContact O-CB 3.05Å; S710-I713 PolarHBondContact O-N 3.12Å; S710-I713 VanDerWaalsContact OG-CG1 3.31Å; S710-I713 WeakPolarHBondContact OG-CG1 3.23Å; S710-I713 PolarHBondContact OG-N 3.47Å; S710-I713 VanDerWaalsContact OG-N 3.13Å; S710-S959 WeakPolarHBondContact CA-OG 3.33Å
711K89.1Confident92Very high47 Ų4744.4 Ų44.420%0.20421%0.212CC..Hα-helixtrans-54.1-33.5168.5-70.5168.4-179144.40112.4I713 Q714 M715 D957 S959K711-I713 VanDerWaalsContact C-N 3.33Å; K711-I713 PolarHBondContact O-N 3.28Å; K711-Q714 PolarHBondContact O-N 3.46Å; K711-M715 HydrophobicContact CB-CE 4.02Å; K711-M715 VanDerWaalsContact O-CG 3.3Å; K711-M715 WeakPolarHBondContact O-CG 3.17Å; K711-M715 PolarHBondContact O-N 3.4Å; K711-D957 WeakPolarHBondContact CE-OD2 2.97Å; K711-D957 IonicContact NZ-OD2 2.69Å; K711-D957 PolarHBondContact NZ-OD2 3.16Å; K711-D957 VanDerWaalsContact NZ-OD2 3.15Å; K711-S959 WeakPolarHBondContact CG-OG 3.37Å; K711-S959 PolarHBondContact N-OG 3.06Å
712T89.8Confident92Very high12 Ų1242.1 Ų42.17%0.07420%0.198CC..Hα-helixtrans-62.1-35.2175.8-49.20000113.1L488 S710 Q714 M715 M716L488-T712 HydrophobicContact CD1-CG2 4.18Å; L488-T712 HydrophobicContact CD2-CG2 4.22Å; S710-T712 PolarHBondContact O-N 3.04Å; S710-T712 VanDerWaalsContact O-N 3.15Å; T712-Q714 VanDerWaalsContact C-N 3.32Å; T712-Q714 PolarHBondContact O-N 3.49Å; T712-M715 PolarHBondContact O-N 2.91Å; T712-M716 HydrophobicContact CG2-CG 4.2Å; T712-M716 WeakPolarHBondContact O-CB 3.33Å; T712-M716 WeakPolarHBondContact O-CG 3.38Å; T712-M716 PolarHBondContact O-N 3.43Å
713I91.9Very high91.9Very high0 Ų035.6 Ų35.60%017%0.173CC..Hα-helixtrans-60.6-44.3177.1-80166.2000110.6L659 Q709 S710 K711 M716 H717 F718 D719L659-I713 HydrophobicContact CD2-CD1 4.39Å; L659-I713 HydrophobicContact CD2-CG1 3.63Å; Q709-I713 HydrophobicContact CB-CG2 4.35Å; Q709-I713 HydrophobicContact CG-CG2 4.26Å; S710-I713 WeakPolarHBondContact O-CB 3.05Å; S710-I713 PolarHBondContact O-N 3.12Å; S710-I713 VanDerWaalsContact OG-CG1 3.31Å; S710-I713 WeakPolarHBondContact OG-CG1 3.23Å; S710-I713 PolarHBondContact OG-N 3.47Å; S710-I713 VanDerWaalsContact OG-N 3.13Å; K711-I713 VanDerWaalsContact C-N 3.33Å; K711-I713 PolarHBondContact O-N 3.28Å; I713-M716 PolarHBondContact O-N 2.77Å; I713-H717 PolarHBondContact O-N 2.73Å; I713-F718 HydrophobicContact CD1-CD1 4.48Å; I713-F718 HydrophobicContact CG1-CD1 4.13Å; I713-F718 HydrophobicContact CG2-CB 4.16Å; I713-F718 HydrophobicContact CG2-CD1 4.04Å; I713-F718 PolarHBondContact O-N 2.81Å; I713-F718 VanDerWaalsContact O-N 3.08Å; I713-D719 HydrophobicContact CG2-CB 4.28Å
714Q86.8Confident91.8Very high99 Ų9933.5 Ų33.546%0.46316%0.159SC..Hα-helixtrans-68.4-43.5178.8-64.4175.3-7.700111.2K711 T712 M716 H717K711-Q714 PolarHBondContact O-N 3.46Å; T712-Q714 VanDerWaalsContact C-N 3.32Å; T712-Q714 PolarHBondContact O-N 3.49Å; Q714-M716 PolarHBondContact O-N 3.19Å; Q714-H717 PolarHBondContact O-N 3.21Å
715M86.3Confident91.9Very high35 Ų3530.1 Ų30.117%0.17214%0.143CC..Hα-helixtrans-60-29.7176.4-67.8171.9-167.800113.1V8 P9 L12 L488 K711 T712V8-M715 HydrophobicContact CB-CE 3.98Å; V8-M715 HydrophobicContact CB-SD 4.16Å; V8-M715 HydrophobicContact CG1-CE 4.12Å; V8-M715 HydrophobicContact CG1-SD 3.67Å; P9-M715 HydrophobicContact CG-CE 4Å; P9-M715 HydrophobicContact CG-CG 4.21Å; L12-M715 HydrophobicContact CD1-CB 3.91Å; L12-M715 HydrophobicContact CD1-CG 4.35Å; L12-M715 HydrophobicContact CD1-SD 4.14Å; L488-M715 HydrophobicContact CD2-SD 4.24Å; K711-M715 HydrophobicContact CB-CE 4.02Å; K711-M715 VanDerWaalsContact O-CG 3.3Å; K711-M715 WeakPolarHBondContact O-CG 3.17Å; K711-M715 PolarHBondContact O-N 3.4Å; T712-M715 PolarHBondContact O-N 2.91Å
716M85.4Confident92Very high14 Ų1425.9 Ų25.97%0.06913%0.126CC..THydrogen-bonded Turntrans-94.6-3-176.8-66.3-52.6-5700114.1L17 Y435 L439 L488 V655 T712 I713 Q714 F718L17-M716 HydrophobicContact CD1-CE 3.32Å; L17-M716 HydrophobicContact CD1-SD 3.14Å; L17-M716 WeakPolarHBondContact CD1-SD 3.33Å; Y435-M716 VanDerWaalsContact CE1-O 3.28Å; Y435-M716 WeakPolarHBondContact CE1-O 3.35Å; Y435-M716 PolarHBondContact OH-O 2.87Å; L439-M716 HydrophobicContact CD1-CE 3.57Å; L439-M716 HydrophobicContact CD2-CE 3.9Å; L439-M716 HydrophobicContact CG-CE 4.31Å; L488-M716 HydrophobicContact CD1-SD 4.23Å; V655-M716 HydrophobicContact CG1-CE 3.81Å; V655-M716 HydrophobicContact CG1-CG 4.18Å; V655-M716 HydrophobicContact CG1-SD 4.44Å; V655-M716 HydrophobicContact CG2-CE 4.05Å; V655-M716 HydrophobicContact CG2-SD 4.32Å; T712-M716 HydrophobicContact CG2-CG 4.2Å; T712-M716 WeakPolarHBondContact O-CB 3.33Å; T712-M716 WeakPolarHBondContact O-CG 3.38Å; T712-M716 PolarHBondContact O-N 3.43Å; I713-M716 PolarHBondContact O-N 2.77Å; Q714-M716 PolarHBondContact O-N 3.19Å; M716-F718 PolarHBondContact O-N 3.15Å
717H88.7Confident92Very high80 Ų8025.9 Ų25.937%0.3713%0.126SC..THydrogen-bonded Turntrans57.932-172.6-55-84.9000113.3L140 I713 Q714 D719 E720 L721L140-H717 HydrophobicContact CD1-CB 4.45Å; L140-H717 HydrophobicContact CD2-CB 4.03Å; I713-H717 PolarHBondContact O-N 2.73Å; Q714-H717 PolarHBondContact O-N 3.21Å; H717-D719 VanDerWaalsContact C-N 3.28Å; H717-D719 WeakPolarHBondContact CA-OD1 3.18Å; H717-E720 HydrophobicContact CB-CG 4.44Å; H717-E720 IonicContact CE1-OE1 2.6Å; H717-E720 IonicContact CG-OE1 3.9Å; H717-E720 IonicContact ND1-OE1 4Å; H717-E720 PolarHBondContact ND1-OE1 3.23Å; H717-E720 PolarHBondContact O-N 3.22Å; H717-L721 PolarHBondContact O-N 3.44Å
718F90.7Very high92.1Very high4 Ų425.9 Ų25.92%0.01813%0.128CC..THydrogen-bonded Turntrans-74.9-22.3175.9177.5-103000112.2V436 L659 P706 I713 M716 E720 L721 P722 A723V436-F718 HydrophobicContact CG2-CD2 3.26Å; V436-F718 HydrophobicContact CG2-CE2 3.31Å; V436-F718 HydrophobicContact CG2-CG 4.28Å; V436-F718 HydrophobicContact CG2-CZ 4.37Å; L659-F718 HydrophobicContact CD2-CB 4.2Å; L659-F718 HydrophobicContact CD2-CD1 3.87Å; L659-F718 HydrophobicContact CD2-CD2 4.41Å; L659-F718 HydrophobicContact CD2-CE1 4.37Å; L659-F718 HydrophobicContact CD2-CG 3.87Å; P706-F718 HydrophobicContact CG-CE1 4.11Å; I713-F718 HydrophobicContact CD1-CD1 4.48Å; I713-F718 HydrophobicContact CG1-CD1 4.13Å; I713-F718 HydrophobicContact CG2-CB 4.16Å; I713-F718 HydrophobicContact CG2-CD1 4.04Å; I713-F718 PolarHBondContact O-N 2.81Å; I713-F718 VanDerWaalsContact O-N 3.08Å; M716-F718 PolarHBondContact O-N 3.15Å; F718-E720 VanDerWaalsContact C-N 3.29Å; F718-L721 CarbonylContact O-C 3.5Å; F718-L721 VanDerWaalsContact O-C 3.28Å; F718-L721 PolarHBondContact O-N 3.37Å; F718-P722 WeakPolarHBondContact O-CA 3.48Å; F718-A723 HydrophobicContact CE2-CB 3.98Å; F718-A723 HydrophobicContact CZ-CB 4.07Å
719D91.1Very high92.2Very high53 Ų5326 Ų2628%0.28313%0.128SC..THydrogen-bonded Turntrans-65.6-29.7170.461.5-39.8000112.9I713 H717I713-D719 HydrophobicContact CG2-CB 4.28Å; H717-D719 VanDerWaalsContact C-N 3.28Å; H717-D719 WeakPolarHBondContact CA-OD1 3.18Å
720E92.1Very high92.3Very high110 Ų11025.8 Ų25.851%0.51413%0.128SC..THydrogen-bonded Turntrans-78-37.2173.5-64.4-177.5-143.900112.9L140 H717 F718 P722L140-E720 HydrophobicContact CD1-CB 4.27Å; L140-E720 WeakPolarHBondContact CD1-OE2 3.32Å; H717-E720 HydrophobicContact CB-CG 4.44Å; H717-E720 IonicContact CE1-OE1 2.6Å; H717-E720 IonicContact CG-OE1 3.9Å; H717-E720 IonicContact ND1-OE1 4Å; H717-E720 PolarHBondContact ND1-OE1 3.23Å; H717-E720 PolarHBondContact O-N 3.22Å; F718-E720 VanDerWaalsContact C-N 3.29Å; E720-P722 VanDerWaalsContact O-CD 3.3Å; E720-P722 WeakPolarHBondContact O-CD 2.87Å
721L93Very high92.5Very high3 Ų326.5 Ų26.52%0.01613%0.131CC..SBendtrans-120.365.6179.4-59.1178.3000112.6L140 Y435 T684 L687 H717 F718L140-L721 HydrophobicContact CB-CD1 4.28Å; L140-L721 HydrophobicContact CD1-CD1 3.72Å; L140-L721 HydrophobicContact CD1-CG 3.91Å; Y435-L721 HydrophobicContact CD1-CB 4.18Å; Y435-L721 HydrophobicContact CD1-CD1 4.31Å; Y435-L721 HydrophobicContact CD2-CD1 3.92Å; Y435-L721 HydrophobicContact CE2-CD1 4.36Å; Y435-L721 HydrophobicContact CG-CB 4.24Å; Y435-L721 HydrophobicContact CG-CD1 3.9Å; T684-L721 HydrophobicContact CG2-CD2 3.62Å; L687-L721 HydrophobicContact CD2-CD2 3.88Å; L687-L721 HydrophobicContact CG-CD2 4.34Å; H717-L721 PolarHBondContact O-N 3.44Å; F718-L721 CarbonylContact O-C 3.5Å; F718-L721 VanDerWaalsContact O-C 3.28Å; F718-L721 PolarHBondContact O-N 3.37Å
722P94.4Very high92.8Very high8 Ų825.2 Ų25.25%0.05213%0.126CC..  trans-72.7163.8-175.122.1-26.4000114T684 P703 Q704 F718 E720 Y1005T684-P722 PolarHBondContact N-O 3.46Å; P703-P722 HydrophobicContact CB-CG 4.17Å; Q704-P722 WeakPolarHBondContact O-CB 3.38Å; Q704-P722 WeakPolarHBondContact O-CG 3.07Å; F718-P722 WeakPolarHBondContact O-CA 3.48Å; E720-P722 VanDerWaalsContact O-CD 3.3Å; E720-P722 WeakPolarHBondContact O-CD 2.87Å; P722-Y1005 WeakPolarHBondContact CB-OH 3.09Å
723A94Very high93Very high1 Ų127.7 Ų27.71%0.00814%0.144CC..  trans-131.650.1-176.700000113.1A681 I682 F718 Y1005 Q1007A681-A723 HydrophobicContact CB-CB 4.17Å; I682-A723 CarbonylContact O-C 3.48Å; F718-A723 HydrophobicContact CE2-CB 3.98Å; F718-A723 HydrophobicContact CZ-CB 4.07Å; A723-Y1005 PolarHBondContact N-OH 3.04Å; A723-Q1007 WeakPolarHBondContact O-CG 3.32Å
724G94.7Very high93.1Very high0 Ų029.4 Ų29.40%015%0.15CC..  trans173.7-177.8-175.900000113.1Q704 Y1005 Y1006Q704-G724 PolarHBondContact N-O 2.76Å; G724-Y1005 VanDerWaalsContact CA-CZ 3.48Å; G724-Y1005 VanDerWaalsContact CA-OH 3.29Å; G724-Y1005 WeakPolarHBondContact CA-OH 3.33Å; G724-Y1005 PolarHBondContact N-OH 3.07Å; G724-Y1005 PolarHBondContact O-OH 3.13Å; G724-Y1006 CarbonylContact C-O 3.55Å; G724-Y1006 VanDerWaalsContact CA-O 3.22Å; G724-Y1006 WeakPolarHBondContact CA-O 3.25Å
725Q96.3Very high93.2Very high8 Ų827.7 Ų27.74%0.03715%0.149CC..EExtended strand (participates in β ladder)trans-134.1147.9176.9-72.5180-10.400110M700 Y702 Q704 A727 F754 Y1006M700-Q725 HydrophobicContact SD-CG 3.85Å; Y702-Q725 VanDerWaalsContact O-CG 3.27Å; Y702-Q725 WeakPolarHBondContact O-CG 3.43Å; Y702-Q725 PolarHBondContact O-NE2 3.45Å; Q704-Q725 HydrophobicContact CG-CG 4.23Å; Q725-A727 PolarHBondContact O-N 3.05Å; Q725-F754 HydrophobicContact CB-CE2 4.24Å; Q725-Y1006 PolarHBondContact N-O 3.39Å; Q725-Y1006 PolarHBondContact O-N 3.12Å
726N96.5Very high93.5Very high25 Ų2528.4 Ų28.413%0.13417%0.165CC..EExtended strand (participates in β ladder)trans-78.2117.6169.8-54.4-80.4000107.8Q704 K705 L707 Y1005Q704-N726 PolarHBondContact OE1-ND2 2.97Å; Q704-N726 VanDerWaalsContact OE1-ND2 3.08Å; K705-N726 PolarHBondContact O-ND2 2.84Å; L707-N726 HydrophobicContact CD1-CB 4.47Å; L707-N726 PolarHBondContact N-OD1 3.11Å; N726-Y1005 WeakPolarHBondContact OD1-CD2 3.36Å
727A96.5Very high93.9Very high0 Ų034.3 Ų34.30%019%0.188CC..EExtended strand (participates in β ladder)trans-104.8137.4177.900000109.1Q725 V729 F754 D923 I924 P1003 V1004 Y1006Q725-A727 PolarHBondContact O-N 3.05Å; A727-V729 HydrophobicContact CB-CG2 4.18Å; A727-V729 WeakPolarHBondContact O-CG2 3.41Å; A727-V729 PolarHBondContact O-N 3.15Å; A727-F754 HydrophobicContact CB-CE2 3.73Å; A727-F754 HydrophobicContact CB-CZ 3.73Å; A727-D923 HydrophobicContact CB-CB 4.13Å; A727-I924 HydrophobicContact CB-CD1 3.94Å; A727-I924 HydrophobicContact CB-CG1 4.18Å; A727-P1003 CarbonylContact O-C 3.57Å; A727-P1003 WeakPolarHBondContact O-CA 3.28Å; A727-V1004 PolarHBondContact N-O 3.25Å; A727-V1004 PolarHBondContact O-N 3.45Å; A727-Y1006 HydrophobicContact CB-CD2 4.32Å
728V96.6Very high94.2Very high39 Ų3930.7 Ų30.724%0.23617%0.171CC..EExtended strand (participates in β ladder)trans-72.8116.7169-178.60000108.2D923 I924 F1001V728-D923 PolarHBondContact N-OD2 3.26Å; V728-D923 PolarHBondContact O-N 3.02Å; V728-I924 PolarHBondContact O-N 2.98Å; V728-F1001 HydrophobicContact CG1-CD2 4.43Å; V728-F1001 HydrophobicContact CG1-CE1 3.77Å; V728-F1001 HydrophobicContact CG1-CE2 3.63Å; V728-F1001 HydrophobicContact CG1-CZ 3.25Å
729V96.6Very high94.3Very high1 Ų134.7 Ų34.71%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-113129.9-173.6-178.30000111.3A727 I731 I924 M926 F1001 G1002 V1004 Y1006A727-V729 HydrophobicContact CB-CG2 4.18Å; A727-V729 WeakPolarHBondContact O-CG2 3.41Å; A727-V729 PolarHBondContact O-N 3.15Å; V729-I731 HydrophobicContact CG1-CG1 4.47Å; V729-I924 VanDerWaalsContact CA-O 3.29Å; V729-I924 WeakPolarHBondContact CA-O 3.26Å; V729-I924 HydrophobicContact CG2-CB 4.19Å; V729-M926 HydrophobicContact CG1-CB 4.2Å; V729-F1001 WeakPolarHBondContact O-CA 3.25Å; V729-G1002 PolarHBondContact N-O 3.4Å; V729-G1002 PolarHBondContact O-N 3.32Å; V729-G1002 VanDerWaalsContact O-N 3.14Å; V729-V1004 HydrophobicContact CB-CB 4.48Å; V729-V1004 HydrophobicContact CB-CG2 4.13Å; V729-V1004 HydrophobicContact CG2-CB 3.93Å; V729-V1004 HydrophobicContact CG2-CG2 4.13Å; V729-Y1006 HydrophobicContact CG2-CD2 4.13Å; V729-Y1006 HydrophobicContact CG2-CE2 3.67Å
730A96.4Very high94.2Very high0 Ų040.8 Ų40.80%022%0.223CC..EExtended strand (participates in β ladder)trans-100.8125.2166.900000109.4M732 P922 I924 I925 M926 L986 I999 F1001A730-M732 HydrophobicContact CB-CG 4.42Å; A730-M732 PolarHBondContact O-N 3.34Å; A730-P922 HydrophobicContact CB-CB 3.84Å; A730-P922 HydrophobicContact CB-CG 4.13Å; A730-I924 PolarHBondContact N-O 2.89Å; A730-I924 VanDerWaalsContact N-O 3.14Å; A730-I925 HydrophobicContact CB-CG1 4.38Å; A730-I925 WeakPolarHBondContact O-CA 3.3Å; A730-M926 PolarHBondContact O-N 3.44Å; A730-L986 HydrophobicContact CB-CD1 4.46Å; A730-I999 HydrophobicContact CB-CG2 4.13Å; A730-F1001 HydrophobicContact CB-CD2 3.87Å; A730-F1001 HydrophobicContact CB-CE2 4.24Å
731I96Very high94.1Very high17 Ų1738.1 Ų38.19%0.08721%0.212CC..EExtended strand (participates in β ladder)trans-93.894.4174.3-49.8-168.8000108.9V729 M926 P928 F931 L940 Y1000V729-I731 HydrophobicContact CG1-CG1 4.47Å; I731-M926 WeakPolarHBondContact CA-O 3.48Å; I731-P928 HydrophobicContact CG2-CB 3.98Å; I731-F931 HydrophobicContact CD1-CE2 3.84Å; I731-F931 HydrophobicContact CD1-CZ 3.64Å; I731-F931 HydrophobicContact CG2-CD2 4.25Å; I731-F931 HydrophobicContact CG2-CE2 3.6Å; I731-F931 HydrophobicContact CG2-CZ 4.43Å; I731-L940 HydrophobicContact CD1-CD2 3.86Å; I731-Y1000 HydrophobicContact CD1-CD1 3.67Å; I731-Y1000 HydrophobicContact CD1-CE1 4.41Å; I731-Y1000 HydrophobicContact CG1-CD1 4.33Å; I731-Y1000 PolarHBondContact N-O 2.79Å
732M94.9Very high94.3Very high21 Ų2138.8 Ų38.810%0.10322%0.218CC..SBendtrans-156.9160.4179.465.4179.4-7000110.4A730 Y734 P914 I925 M926 P928 L995 I999A730-M732 HydrophobicContact CB-CG 4.42Å; A730-M732 PolarHBondContact O-N 3.34Å; M732-Y734 HydrophobicContact CE-CD2 4.23Å; M732-P914 HydrophobicContact SD-CB 4.46Å; M732-P914 HydrophobicContact SD-CG 3.73Å; M732-I925 HydrophobicContact CG-CG2 3.73Å; M732-I925 VanDerWaalsContact O-CG2 3.31Å; M732-I925 WeakPolarHBondContact O-CG2 3.34Å; M732-M926 PolarHBondContact N-O 3.41Å; M732-M926 VanDerWaalsContact N-O 3.12Å; M732-P928 VanDerWaalsContact C-CD 3.45Å; M732-L995 HydrophobicContact CE-CD1 3.68Å; M732-L995 HydrophobicContact SD-CD1 4.14Å; M732-I999 HydrophobicContact CB-CD1 3.94Å; M732-I999 HydrophobicContact CB-CG2 4.11Å; M732-I999 HydrophobicContact CG-CG2 4.43Å; M732-I999 HydrophobicContact SD-CD1 4.5Å; M732-I999 HydrophobicContact SD-CG1 4.37Å; M732-I999 HydrophobicContact SD-CG2 4.36Å
733S95.2Very high94.3Very high64 Ų6438.7 Ų38.745%0.44822%0.217SC..  trans-85.8123170.5-53.50000109.2D738S733-D738 WeakPolarHBondContact CA-OD2 3.06Å
734Y93.7Very high94.5Very high36 Ų3638.7 Ų38.714%0.14122%0.217CC..  trans-136.6130.3-176.2-176.4-91.5000111.7M732 G736 D738 V744 V908 D912 I925M732-Y734 HydrophobicContact CE-CD2 4.23Å; Y734-G736 PolarHBondContact O-N 3.36Å; Y734-D738 PolarHBondContact N-OD2 3.43Å; Y734-V744 HydrophobicContact CD1-CG1 4.33Å; Y734-V908 HydrophobicContact CE1-CG1 4.36Å; Y734-V908 HydrophobicContact CE1-CG2 4.22Å; Y734-D912 PolarHBondContact OH-O 3.37Å; Y734-I925 HydrophobicContact CD1-CD1 3.92Å; Y734-I925 HydrophobicContact CD2-CD1 4.14Å; Y734-I925 HydrophobicContact CG-CD1 3.7Å
735S89.3Confident94.6Very high62 Ų6238.7 Ų38.743%0.43422%0.217SC..THydrogen-bonded Turntrans61.1-11.2173.973.60000118.2Y737S735-Y737 VanDerWaalsContact C-N 3.27Å; S735-Y737 WeakPolarHBondContact O-CD2 3.3Å; S735-Y737 PolarHBondContact O-N 2.96Å
736G92.2Very high94.6Very high50 Ų5038.4 Ų38.452%0.51522%0.215SC..THydrogen-bonded Turntrans82.5-5.6-177.500000114.9Y734 D738 V739Y734-G736 PolarHBondContact O-N 3.36Å; G736-D738 PolarHBondContact O-N 3.33Å; G736-V739 WeakPolarHBondContact O-CG2 3.32Å
737Y94.1Very high94.6Very high139 Ų13940.9 Ų40.955%0.54523%0.226SC..THydrogen-bonded Turntrans-84.87.5174.9-68.7-95.7000113.4S735 A742 L906S735-Y737 VanDerWaalsContact C-N 3.27Å; S735-Y737 WeakPolarHBondContact O-CD2 3.3Å; S735-Y737 PolarHBondContact O-N 2.96Å; Y737-A742 WeakPolarHBondContact O-CB 3.46Å; Y737-L906 HydrophobicContact CD1-CB 4.35Å; Y737-L906 HydrophobicContact CD2-CD2 3.79Å; Y737-L906 HydrophobicContact CE2-CD2 4.35Å; Y737-L906 HydrophobicContact CG-CB 3.98Å; Y737-L906 HydrophobicContact CG-CD2 4.02Å; Y737-L906 HydrophobicContact CG-CG 4.42Å
738D93.9Very high94.7Very high3 Ų341.7 Ų41.72%0.01623%0.233CC..THydrogen-bonded Turntrans-11115.717863.7-12000112.8S733 Y734 G736 A742 V744 N927S733-D738 WeakPolarHBondContact CA-OD2 3.06Å; Y734-D738 PolarHBondContact N-OD2 3.43Å; G736-D738 PolarHBondContact O-N 3.33Å; D738-A742 WeakPolarHBondContact CA-O 3.41Å; D738-V744 HydrophobicContact CB-CG2 4.11Å; D738-N927 HydrophobicContact CB-CB 4.11Å; D738-N927 WeakPolarHBondContact O-CB 3.47Å; D738-N927 PolarHBondContact O-ND2 3.45Å
739V92.6Very high94.7Very high88 Ų8840.2 Ų40.253%0.53323%0.225SC..SBendtrans-73.1148.8174.5177.70000109.9G736 D741 A742G736-V739 WeakPolarHBondContact O-CG2 3.32Å; V739-D741 PolarHBondContact O-N 3.46Å; V739-A742 WeakPolarHBondContact O-CB 3.29Å; V739-A742 PolarHBondContact O-N 2.83Å
740E89.4Confident94.7Very high182 Ų18240.3 Ų40.385%0.8523%0.225SC*.THydrogen-bonded Turntrans52.952.8178.5-70.5-174.217500115A742E740-A742 PolarHBondContact O-N 3.45Å
741D91.3Very high94.7Very high53 Ų5344.2 Ų44.228%0.28325%0.246SC..THydrogen-bonded Turntrans70.24.5178.7-52.7-50.3000116.6V739 K901 G902 R934V739-D741 PolarHBondContact O-N 3.46Å; D741-K901 WeakPolarHBondContact CB-O 3.33Å; D741-G902 WeakPolarHBondContact O-CA 3.22Å; D741-R934 IonicContact OD1-CZ 2.96Å; D741-R934 IonicContact OD1-NE 2.9Å; D741-R934 IonicContact OD1-NH1 3.31Å; D741-R934 PolarHBondContact OD1-NH1 2.79Å; D741-R934 IonicContact OD1-NH2 3.7Å; D741-R934 PolarHBondContact OD1-NH2 2.82Å; D741-R934 IonicContact OD2-CZ 3.33Å; D741-R934 IonicContact OD2-NH1 3.27Å; D741-R934 IonicContact OD2-NH2 2.8Å; D741-R934 PolarHBondContact OD2-NH2 2.87Å
742A95.3Very high94.8Very high18 Ų1851.3 Ų51.315%0.14927%0.272CS..  trans-63.7148.7174.700000111.3Y737 D738 V739 E740 V903Y737-A742 WeakPolarHBondContact O-CB 3.46Å; D738-A742 WeakPolarHBondContact CA-O 3.41Å; V739-A742 WeakPolarHBondContact O-CB 3.29Å; V739-A742 PolarHBondContact O-N 2.83Å; E740-A742 PolarHBondContact O-N 3.45Å; A742-V903 CarbonylContact C-O 3.45Å; A742-V903 WeakPolarHBondContact CA-O 3.41Å
743L95.6Very high94.8Very high6 Ų650.7 Ų50.73%0.03127%0.271CS..EExtended strand (participates in β ladder)trans-115138.2-179.9-60.2171.9000109.1F894 V903 G905 I924 M926 Y1006L743-F894 HydrophobicContact CD1-CB 3.8Å; L743-V903 PolarHBondContact N-O 3.31Å; L743-G905 PolarHBondContact O-N 3.38Å; L743-I924 HydrophobicContact CB-CG2 4.22Å; L743-I924 HydrophobicContact CD1-CG2 4.49Å; L743-I924 HydrophobicContact CD2-CG2 4.02Å; L743-I924 HydrophobicContact CG-CG2 4.47Å; L743-M926 HydrophobicContact CD2-CB 4.21Å; L743-M926 HydrophobicContact CD2-CG 4.1Å; L743-Y1006 HydrophobicContact CD1-CE1 3.96Å
744V96.9Very high94.8Very high1 Ų148.5 Ų48.51%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-99.2129.2170.1179.20000108.1Y734 D738 L906 V908 I924 I925Y734-V744 HydrophobicContact CD1-CG1 4.33Å; D738-V744 HydrophobicContact CB-CG2 4.11Å; V744-L906 WeakPolarHBondContact CA-O 3.17Å; V744-L906 HydrophobicContact CG1-CB 4.37Å; V744-L906 HydrophobicContact CG2-CB 4.26Å; V744-V908 HydrophobicContact CG1-CB 4.18Å; V744-V908 HydrophobicContact CG1-CG2 3.43Å; V744-V908 VanDerWaalsContact CG1-CG2 3.43Å; V744-I924 CarbonylContact O-C 3.38Å; V744-I924 WeakPolarHBondContact O-CA 3.47Å; V744-I925 HydrophobicContact CB-CB 4.2Å; V744-I925 PolarHBondContact N-O 3.3Å; V744-I925 PolarHBondContact O-N 3.21Å
745I96.7Very high94.8Very high0 Ų046.9 Ų46.90%025%0.247CC..EExtended strand (participates in β ladder)trans-116.6143.8-175.9-58.3-170.4000110.9Q747 I750 F754 F894 V904 L906 I907 V908 D923 I924I745-Q747 PolarHBondContact O-N 3.09Å; I745-I750 HydrophobicContact CB-CD1 4.33Å; I745-I750 HydrophobicContact CG2-CD1 3.61Å; I745-I750 HydrophobicContact CG2-CG1 3.76Å; I745-F754 HydrophobicContact CG2-CD1 4.4Å; I745-F754 HydrophobicContact CG2-CE1 4.5Å; I745-F894 HydrophobicContact CD1-CD2 4.23Å; I745-F894 HydrophobicContact CD1-CE2 3.84Å; I745-F894 HydrophobicContact CD1-CZ 4.1Å; I745-V904 HydrophobicContact CB-CG1 4.49Å; I745-V904 HydrophobicContact CD1-CB 4.35Å; I745-V904 HydrophobicContact CD1-CG1 4.05Å; I745-V904 HydrophobicContact CD1-CG2 3.45Å; I745-V904 VanDerWaalsContact CD1-CG2 3.45Å; I745-V904 HydrophobicContact CG1-CG1 4.13Å; I745-V904 HydrophobicContact CG1-CG2 4.31Å; I745-L906 PolarHBondContact N-O 3.48Å; I745-I907 WeakPolarHBondContact O-CA 3.49Å; I745-V908 PolarHBondContact O-N 3.26Å; I745-D923 WeakPolarHBondContact CA-O 3.25Å; I745-I924 HydrophobicContact CG1-CG1 4.32Å
746N97.2Very high95.2Very high1 Ų146.2 Ų46.21%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-73.4121.3174.4-172.3-15.2000112.4A748 S749 I750 L913 P922 D923N746-A748 PolarHBondContact O-N 3.08Å; N746-A748 PolarHBondContact OD1-N 3.14Å; N746-S749 PolarHBondContact ND2-OG 3.3Å; N746-S749 PolarHBondContact O-N 2.92Å; N746-I750 WeakPolarHBondContact O-CG1 3.4Å; N746-I750 PolarHBondContact O-N 3.03Å; N746-I750 VanDerWaalsContact O-N 3.16Å; N746-L913 HydrophobicContact CB-CD1 3.45Å; N746-L913 VanDerWaalsContact CB-CD1 3.45Å; N746-L913 WeakPolarHBondContact ND2-CD1 3.35Å; N746-P922 WeakPolarHBondContact CB-O 3.45Å; N746-P922 PolarHBondContact ND2-O 2.68Å; N746-D923 PolarHBondContact N-O 3.03Å
747Q97.4Very high95.3Very high77 Ų7743.9 Ų43.936%0.3621%0.211SC..Hα-helixtrans-59.1-45.3177.3-171.2176.3-7.800111.9I745 S749 I750 D751 I907 V908I745-Q747 PolarHBondContact O-N 3.09Å; Q747-S749 VanDerWaalsContact C-N 3.27Å; Q747-S749 PolarHBondContact O-N 2.94Å; Q747-I750 WeakPolarHBondContact O-CB 3.37Å; Q747-I750 PolarHBondContact O-N 3.4Å; Q747-I750 VanDerWaalsContact O-N 3.09Å; Q747-D751 PolarHBondContact O-N 3.06Å; Q747-I907 HydrophobicContact CB-CG2 3.65Å; Q747-I907 HydrophobicContact CG-CG2 4Å; Q747-V908 WeakPolarHBondContact CB-O 3.47Å; Q747-V908 PolarHBondContact N-O 2.94Å
748A97.5Very high95.3Very high18 Ų1837.9 Ų37.915%0.14919%0.189CC..Hα-helixtrans-65.5-33.8-178.300000111.5N746 D751 R752 Q910N746-A748 PolarHBondContact O-N 3.08Å; N746-A748 PolarHBondContact OD1-N 3.14Å; A748-D751 PolarHBondContact O-N 2.81Å; A748-R752 WeakPolarHBondContact O-CB 3.14Å; A748-R752 WeakPolarHBondContact O-CD 3.19Å; A748-R752 WeakPolarHBondContact O-CG 3.4Å; A748-R752 PolarHBondContact O-N 3.2Å; A748-Q910 HydrophobicContact CB-CB 3.71Å; A748-Q910 HydrophobicContact CB-CG 4.41Å
749S96.9Very high95.3Very high8 Ų837.8 Ų37.86%0.05619%0.189CC..Hα-helixtrans-65.2-42.3173.2-57.70000111.2N746 Q747 R752 G753 F754 D923N746-S749 PolarHBondContact ND2-OG 3.3Å; N746-S749 PolarHBondContact O-N 2.92Å; Q747-S749 VanDerWaalsContact C-N 3.27Å; Q747-S749 PolarHBondContact O-N 2.94Å; S749-R752 PolarHBondContact O-N 2.83Å; S749-G753 PolarHBondContact O-N 3.42Å; S749-F754 VanDerWaalsContact C-CB 3.45Å; S749-F754 WeakPolarHBondContact O-CB 3.48Å; S749-F754 PolarHBondContact O-N 3.41Å; S749-D923 VanDerWaalsContact CB-OD1 3.24Å; S749-D923 WeakPolarHBondContact CB-OD1 3.42Å; S749-D923 PolarHBondContact OG-OD1 2.85Å
750I96.7Very high95.4Very high2 Ų234 Ų341%0.0117%0.165CC..Hα-helixtrans-61.7-43.7174.1-64.8168.9000111.3I745 N746 Q747 R752 G753 P888 I907I745-I750 HydrophobicContact CB-CD1 4.33Å; I745-I750 HydrophobicContact CG2-CD1 3.61Å; I745-I750 HydrophobicContact CG2-CG1 3.76Å; N746-I750 WeakPolarHBondContact O-CG1 3.4Å; N746-I750 PolarHBondContact O-N 3.03Å; N746-I750 VanDerWaalsContact O-N 3.16Å; Q747-I750 WeakPolarHBondContact O-CB 3.37Å; Q747-I750 PolarHBondContact O-N 3.4Å; Q747-I750 VanDerWaalsContact O-N 3.09Å; I750-R752 VanDerWaalsContact C-N 3.32Å; I750-R752 PolarHBondContact O-N 3.19Å; I750-G753 PolarHBondContact O-N 3.19Å; I750-G753 VanDerWaalsContact O-N 3.1Å; I750-P888 HydrophobicContact CD1-CB 4.27Å; I750-P888 HydrophobicContact CG1-CB 4.36Å; I750-P888 HydrophobicContact CG1-CG 4.48Å; I750-P888 HydrophobicContact CG2-CG 4.45Å; I750-I907 HydrophobicContact CD1-CD1 3.88Å; I750-I907 HydrophobicContact CD1-CG1 4.06Å; I750-I907 HydrophobicContact CD1-CG2 3.98Å
751D97.1Very high95.6Very high83 Ų8329 Ų2944%0.44414%0.139SC..Hα-helixtrans-60.4-41.8177.9-72.7-39.9000111.4Q747 A748 G753 R887Q747-D751 PolarHBondContact O-N 3.06Å; A748-D751 PolarHBondContact O-N 2.81Å; D751-G753 PolarHBondContact O-N 2.86Å; D751-R887 IonicContact OD1-CZ 3.17Å; D751-R887 IonicContact OD1-NH1 3.31Å; D751-R887 IonicContact OD1-NH2 2.95Å; D751-R887 PolarHBondContact OD1-NH2 3Å
752R96.8Very high95.7Very high166 Ų16630.1 Ų30.163%0.62614%0.139SC*.Hα-helixtrans-68.8-12.3175.3-69.7167.1-173.3135.86.2114.3A748 S749 I750 Q910A748-R752 WeakPolarHBondContact O-CB 3.14Å; A748-R752 WeakPolarHBondContact O-CD 3.19Å; A748-R752 WeakPolarHBondContact O-CG 3.4Å; A748-R752 PolarHBondContact O-N 3.2Å; S749-R752 PolarHBondContact O-N 2.83Å; I750-R752 VanDerWaalsContact C-N 3.32Å; I750-R752 PolarHBondContact O-N 3.19Å; R752-Q910 VanDerWaalsContact NH1-OE1 3.11Å
753G95.4Very high95.5Very high8 Ų830.7 Ų30.78%0.08214%0.142CC..THydrogen-bonded Turntrans115.49.8175.700000115.8S749 I750 D751 A755 R756S749-G753 PolarHBondContact O-N 3.42Å; I750-G753 PolarHBondContact O-N 3.19Å; I750-G753 VanDerWaalsContact O-N 3.1Å; D751-G753 PolarHBondContact O-N 2.86Å; G753-A755 PolarHBondContact O-N 2.94Å; G753-R756 PolarHBondContact O-N 2.83Å
754F95.9Very high95.3Very high17 Ų1732.4 Ų32.48%0.07516%0.16CC..THydrogen-bonded Turntrans-54.5128.7175.1-176.7-104.4000111.2Q725 A727 I745 S749 R756 P888 F894 I924Q725-F754 HydrophobicContact CB-CE2 4.24Å; A727-F754 HydrophobicContact CB-CE2 3.73Å; A727-F754 HydrophobicContact CB-CZ 3.73Å; I745-F754 HydrophobicContact CG2-CD1 4.4Å; I745-F754 HydrophobicContact CG2-CE1 4.5Å; S749-F754 VanDerWaalsContact C-CB 3.45Å; S749-F754 WeakPolarHBondContact O-CB 3.48Å; S749-F754 PolarHBondContact O-N 3.41Å; F754-R756 PolarHBondContact O-N 2.98Å; F754-P888 WeakPolarHBondContact O-CG 3.36Å; F754-F894 HydrophobicContact CE1-CE1 4.3Å; F754-I924 HydrophobicContact CE1-CD1 4.1Å; F754-I924 HydrophobicContact CE1-CG1 4.27Å; F754-I924 HydrophobicContact CZ-CD1 3.84Å; F754-I924 HydrophobicContact CZ-CG1 4.21Å
755A93.9Very high95.1Very high3 Ų333 Ų333%0.02516%0.164CC..THydrogen-bonded Turntrans4927.1178.600000115.9G753 A757 P888 F894 R1008G753-A755 PolarHBondContact O-N 2.94Å; A755-A757 PolarHBondContact O-N 3.39Å; A755-P888 HydrophobicContact CB-CG 3.9Å; A755-F894 HydrophobicContact CB-CE1 3.61Å; A755-F894 HydrophobicContact CB-CZ 3.85Å; A755-R1008 HydrophobicContact CB-CB 4.49Å; A755-R1008 VanDerWaalsContact O-CD 3.24Å; A755-R1008 WeakPolarHBondContact O-CD 3.04Å; A755-R1008 PolarHBondContact O-NH1 3Å
756R95.7Very high94.8Very high48 Ų4836.4 Ų36.418%0.18118%0.18CC..  trans-63131.6175.9-169.469.464124.32.5110.7V701 G753 F754 T885 R886V701-R756 HydrophobicContact CB-CB 4.23Å; V701-R756 HydrophobicContact CB-CG 4.41Å; V701-R756 HydrophobicContact CG2-CB 4.04Å; V701-R756 HydrophobicContact CG2-CG 3.76Å; V701-R756 PolarHBondContact N-O 3.01Å; G753-R756 PolarHBondContact O-N 2.83Å; F754-R756 PolarHBondContact O-N 2.98Å; R756-T885 HydrophobicContact CG-CG2 4.02Å; R756-R886 WeakPolarHBondContact CD-O 3.29Å
757A94.5Very high94.4Very high0 Ų037.5 Ų37.50%019%0.186CC..EExtended strand (participates in β ladder)trans-125.7143-179.400000111.7I682 Q699 A755 R886I682-A757 HydrophobicContact CD1-CB 4.21Å; I682-A757 HydrophobicContact CG2-CB 4.29Å; Q699-A757 CarbonylContact O-C 3.57Å; Q699-A757 VanDerWaalsContact O-CA 3.26Å; Q699-A757 WeakPolarHBondContact O-CA 3.42Å; A755-A757 PolarHBondContact O-N 3.39Å; A757-R886 PolarHBondContact N-O 3.25Å; A757-R886 PolarHBondContact O-N 3.28Å
758C94.5Very high93.9Very high14 Ų1439 Ų3910%0.09519%0.191CC..EExtended strand (participates in β ladder)trans-104.4124.3169.6-66.50000109Q699 Y760 R883 Q884Q699-C758 PolarHBondContact N-O 2.91Å; Q699-C758 PolarHBondContact O-N 3.32Å; C758-Y760 HydrophobicContact CB-CD2 4.28Å; C758-Y760 HydrophobicContact CB-CE2 3.61Å; C758-R883 HydrophobicContact CB-CG 4.41Å; C758-Q884 CarbonylContact C-O 3.51Å; C758-Q884 WeakPolarHBondContact CA-O 3.43Å
759V94.7Very high93.2Very high1 Ų143.1 Ų43.11%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-103.4118174.8-178.40000108.3L696 R761 Q884 R886 M1012L696-V759 HydrophobicContact CD1-CG1 3.73Å; V759-R761 HydrophobicContact CG1-CG 4.41Å; V759-Q884 PolarHBondContact N-O 2.81Å; V759-Q884 PolarHBondContact O-N 2.73Å; V759-R886 HydrophobicContact CG2-CG 4.31Å; V759-M1012 HydrophobicContact CG2-CE 3.74Å; V759-M1012 HydrophobicContact CG2-SD 4.3Å
760Y94.7Very high92.6Very high7 Ų744.8 Ų44.83%0.02722%0.215CC..EExtended strand (participates in β ladder)trans-102.4133.1176.4-65.9-92.9000110.1L696 Q697 Q699 C758 E864 L881 L882 R883L696-Y760 WeakPolarHBondContact CA-O 3.44Å; Q697-Y760 PolarHBondContact N-O 2.87Å; Q697-Y760 PolarHBondContact O-N 3.03Å; Q699-Y760 HydrophobicContact CB-CE2 4.35Å; Q699-Y760 VanDerWaalsContact CD-CE2 3.45Å; Q699-Y760 HydrophobicContact CG-CD2 4.21Å; Q699-Y760 HydrophobicContact CG-CE2 4.04Å; C758-Y760 HydrophobicContact CB-CD2 4.28Å; C758-Y760 HydrophobicContact CB-CE2 3.61Å; Y760-E864 HydrophobicContact CE1-CB 4.49Å; Y760-E864 HydrophobicContact CE1-CG 4.08Å; Y760-E864 PolarHBondContact OH-OE1 2.81Å; Y760-L881 HydrophobicContact CD1-CD2 3.67Å; Y760-L881 HydrophobicContact CD1-CG 3.96Å; Y760-L881 HydrophobicContact CE1-CD2 4.29Å; Y760-L881 HydrophobicContact CG-CD2 4.42Å; Y760-L882 CarbonylContact C-O 3.56Å; Y760-L882 WeakPolarHBondContact CA-O 3.35Å; Y760-R883 HydrophobicContact CD1-CB 3.88Å; Y760-R883 HydrophobicContact CD1-CG 4.07Å; Y760-R883 HydrophobicContact CE1-CB 3.71Å; Y760-R883 HydrophobicContact CE1-CG 3.62Å; Y760-R883 HydrophobicContact CE2-CG 4.37Å; Y760-R883 WeakPolarHBondContact OH-CD 3.26Å
761R93.5Very high91.5Very high79 Ų7953.8 Ų53.830%0.29826%0.257SS..EExtended strand (participates in β ladder)trans-129.2131.4177.3-68.9-178177.2171.91.1110T695 L696 V759 L882 D1015T695-R761 WeakPolarHBondContact O-CA 2.92Å; L696-R761 HydrophobicContact CD1-CG 4.08Å; V759-R761 HydrophobicContact CG1-CG 4.41Å; R761-L882 PolarHBondContact N-O 3.34Å; R761-L882 PolarHBondContact O-N 3.28Å; R761-D1015 IonicContact CZ-OD1 2.67Å; R761-D1015 IonicContact NH2-OD1 3.02Å; R761-D1015 PolarHBondContact NH2-OD1 3.17Å; R761-D1015 IonicContact NH2-OD2 2.67Å
762R93.2Very high90.5Very high76 Ų7654.8 Ų54.829%0.28726%0.263SS..EExtended strand (participates in β ladder)trans-93.8126.3176.6-178.1-16376.5166.79.2110.8F693 D694 T695 I880 L881F693-R762 WeakPolarHBondContact O-CD 3.47Å; D694-R762 VanDerWaalsContact O-CB 3.25Å; D694-R762 WeakPolarHBondContact O-CB 3.16Å; T695-R762 PolarHBondContact O-N 3.13Å; R762-I880 WeakPolarHBondContact CA-O 3.42Å; R762-L881 HydrophobicContact CB-CD1 4.35Å
763S91.7Very high89.5Confident30 Ų3050 Ų5021%0.2126%0.258CS..EExtended strand (participates in β ladder)trans-110134.2164-670000108.5I880S763-I880 PolarHBondContact N-O 3.25Å; S763-I880 PolarHBondContact O-N 2.93Å; S763-I880 VanDerWaalsContact O-O 3.11Å
764G91.2Very high88.9Confident41 Ų4151.2 Ų51.242%0.42326%0.264SS..EExtended strand (participates in β ladder)trans-158.5157.2-178.700000113.4V878G764-V878 CarbonylContact C-O 3.33Å; G764-V878 WeakPolarHBondContact CA-O 3.36Å
765V91.8Very high88.4Confident15 Ų1557 Ų579%0.09129%0.286CS..EExtended strand (participates in β ladder)trans-137.5138.4-173.2172.70000109.6L767 I816 K818 V853 V877 V878V765-L767 HydrophobicContact CG1-CD2 4.29Å; V765-I816 HydrophobicContact CB-CD1 4.28Å; V765-I816 HydrophobicContact CG2-CD1 3.86Å; V765-I816 HydrophobicContact CG2-CG2 4.35Å; V765-K818 HydrophobicContact CG1-CD 3.63Å; V765-K818 HydrophobicContact CG1-CG 4.3Å; V765-V853 HydrophobicContact CG2-CB 4.48Å; V765-V853 HydrophobicContact CG2-CG2 3.34Å; V765-V877 WeakPolarHBondContact O-CA 3.47Å; V765-V878 PolarHBondContact N-O 2.98Å; V765-V878 PolarHBondContact O-N 2.83Å
766H90.3Very high88.2Confident70 Ų7057.2 Ų57.232%0.32429%0.287SS..EExtended strand (participates in β ladder)trans-93.2129.7163.4-62.1-91.5000109.2D83 K818 V877D83-H766 IonicContact OD2-CE1 3.09Å; D83-H766 IonicContact OD2-NE2 3.8Å; H766-K818 PolarHBondContact O-NZ 2.86Å; H766-V877 WeakPolarHBondContact ND1-CG2 3.41Å
767L90.3Very high87.9Confident25 Ų2559.7 Ų59.713%0.13130%0.296CS..EExtended strand (participates in β ladder)trans-89.2107.8168.7-58.5177.9000107.4V765 D776 L778 K818 A876V765-L767 HydrophobicContact CG1-CD2 4.29Å; L767-D776 HydrophobicContact CB-CB 4.18Å; L767-D776 HydrophobicContact CD2-CB 3.95Å; L767-L778 HydrophobicContact CD1-CD1 4.03Å; L767-L778 HydrophobicContact CD1-CG 3.97Å; L767-L778 HydrophobicContact CD2-CD2 4.04Å; L767-L778 HydrophobicContact CD2-CG 4.12Å; L767-K818 HydrophobicContact CD2-CG 4.12Å; L767-A876 HydrophobicContact CB-CB 4.19Å; L767-A876 HydrophobicContact CD1-CB 4.01Å; L767-A876 HydrophobicContact CG-CB 4.47Å; L767-A876 PolarHBondContact N-O 2.84Å
768K85.8Confident87.8Confident107 Ų10761.5 Ų61.547%0.46531%0.306SS..PPolyproline II helixtrans-91.9149.4-173.9-63.9-176.6179.8-176.70110.6D776K768-D776 PolarHBondContact N-OD2 3.18Å; K768-D776 PolarHBondContact O-N 2.87Å
769M83.8Confident87.5Confident105 Ų10564.3 Ų64.352%0.51732%0.319SS..BIsolated β-bridgetrans-89.3126.2162.2-171.4-179.375.700108Y775M769-Y775 HydrophobicContact CB-CD1 3.88Å; M769-Y775 HydrophobicContact CB-CE1 3.7Å; M769-Y775 HydrophobicContact CG-CD1 4.02Å; M769-Y775 HydrophobicContact CG-CE1 3.58Å; M769-Y775 HydrophobicContact SD-CE1 3.79Å; M769-Y775 PolarHBondContact SD-OH 3.33Å; M769-Y775 VanDerWaalsContact SD-OH 3.41Å
770H83.1Confident87.3Confident43 Ų4365.3 Ų65.320%0.19933%0.329CS..PPolyproline II helixtrans-88.8166.2175.1-61.9-88.8000110.5N772 A773 V774 D776 P821H770-N772 PolarHBondContact O-N 3.19Å; H770-N772 VanDerWaalsContact O-N 3.13Å; H770-A773 PolarHBondContact O-N 3.43Å; H770-V774 PolarHBondContact CD2-O 2.91Å; H770-V774 PolarHBondContact N-O 2.81Å; H770-D776 IonicContact CD2-OD1 2.64Å; H770-D776 IonicContact CE1-OD1 3.95Å; H770-D776 IonicContact NE2-OD1 2.86Å; H770-D776 PolarHBondContact NE2-OD1 2.98Å; H770-P821 WeakPolarHBondContact CD2-CG 3.25Å
771E74.5Confident86.9Confident192 Ų19266.9 Ų66.990%0.89734%0.34SS*.THydrogen-bonded Turntrans-57.2-31.2-173.3-65.7-178.9169.800113.7A773E771-A773 PolarHBondContact O-N 2.82Å; E771-A773 VanDerWaalsContact O-N 3.12Å
772N76Confident86.5Confident104 Ų10464.5 Ų64.556%0.55634%0.336SS*.THydrogen-bonded Turntrans-79.618.4177.4-64.6-7.2000113.8H770 V774H770-N772 PolarHBondContact O-N 3.19Å; H770-N772 VanDerWaalsContact O-N 3.13Å; N772-V774 HydrophobicContact CB-CG2 4.06Å; N772-V774 PolarHBondContact O-N 3.03Å; N772-V774 VanDerWaalsContact O-N 3.08Å
773A75.5Confident85.9Confident64 Ų6466.2 Ų66.253%0.52935%0.349SS..SBendtrans56.219.8-172.400000114.6H770 E771 Y775H770-A773 PolarHBondContact O-N 3.43Å; E771-A773 PolarHBondContact O-N 2.82Å; E771-A773 VanDerWaalsContact O-N 3.12Å; A773-Y775 WeakPolarHBondContact O-CD2 3.36Å; A773-Y775 WeakPolarHBondContact O-CE2 3.49Å
774V83.2Confident85.3Confident35 Ų3568.7 Ų68.721%0.21236%0.357CS..PPolyproline II helixtrans-88.5135.1174.5-1730000109H770 N772 P821 T846 F848H770-V774 PolarHBondContact CD2-O 2.91Å; H770-V774 PolarHBondContact N-O 2.81Å; N772-V774 HydrophobicContact CB-CG2 4.06Å; N772-V774 PolarHBondContact O-N 3.03Å; N772-V774 VanDerWaalsContact O-N 3.08Å; V774-P821 HydrophobicContact CB-CG 4.33Å; V774-P821 HydrophobicContact CG1-CB 3.77Å; V774-P821 HydrophobicContact CG1-CG 3.82Å; V774-T846 HydrophobicContact CG2-CG2 4.41Å; V774-F848 HydrophobicContact CG1-CE1 4.29Å; V774-F848 HydrophobicContact CG1-CZ 4.11Å
775Y84.5Confident84.7Confident138 Ų13878.8 Ų78.854%0.54138%0.383SS..BIsolated β-bridgetrans-100.2146.9-178.8-62.1-91.9000111.4M769 A773M769-Y775 HydrophobicContact CB-CD1 3.88Å; M769-Y775 HydrophobicContact CB-CE1 3.7Å; M769-Y775 HydrophobicContact CG-CD1 4.02Å; M769-Y775 HydrophobicContact CG-CE1 3.58Å; M769-Y775 HydrophobicContact SD-CE1 3.79Å; M769-Y775 PolarHBondContact SD-OH 3.33Å; M769-Y775 VanDerWaalsContact SD-OH 3.41Å; A773-Y775 WeakPolarHBondContact O-CD2 3.36Å; A773-Y775 WeakPolarHBondContact O-CE2 3.49Å
776D90.2Very high84Confident7 Ų787.1 Ų87.14%0.03742%0.421CS..PPolyproline II helixtrans-61138.5157.4-64.5-26.2000109.1L767 K768 H770 K818 E819 M820L767-D776 HydrophobicContact CB-CB 4.18Å; L767-D776 HydrophobicContact CD2-CB 3.95Å; K768-D776 PolarHBondContact N-OD2 3.18Å; K768-D776 PolarHBondContact O-N 2.87Å; H770-D776 IonicContact CD2-OD1 2.64Å; H770-D776 IonicContact CE1-OD1 3.95Å; H770-D776 IonicContact NE2-OD1 2.86Å; H770-D776 PolarHBondContact NE2-OD1 2.98Å; D776-K818 WeakPolarHBondContact OD2-CE 3.12Å; D776-K818 IonicContact OD2-NZ 3.26Å; D776-K818 PolarHBondContact OD2-NZ 3.29Å; D776-E819 WeakPolarHBondContact CA-O 3.22Å; D776-M820 WeakPolarHBondContact OD1-CG 3.39Å
777R89.7Confident83.5Confident100 Ų10087.7 Ų87.738%0.37743%0.429SS..EExtended strand (participates in β ladder)trans-122.1155.4-179.569-177.4-173.8-171.30.6111.9M779 E819 F848R777-M779 HydrophobicContact CG-CG 4.35Å; R777-M779 HydrophobicContact CG-SD 4.48Å; R777-E819 HydrophobicContact CG-CB 3.89Å; R777-E819 IonicContact CZ-OE2 2.88Å; R777-E819 VanDerWaalsContact CZ-OE2 3.29Å; R777-E819 PolarHBondContact N-O 3.28Å; R777-E819 IonicContact NE-OE2 3.39Å; R777-E819 PolarHBondContact NE-OE2 3.37Å; R777-E819 IonicContact NH2-OE2 3.29Å; R777-E819 PolarHBondContact NH2-OE2 3.38Å; R777-E819 PolarHBondContact O-N 2.82Å; R777-F848 HydrophobicContact CG-CD1 4.33Å; R777-F848 HydrophobicContact CG-CE1 4.24Å; R777-F848 VanDerWaalsContact CZ-CD2 3.49Å
778L91.6Very high82.9Confident38 Ų3889.2 Ų89.220%0.19945%0.451CS..EExtended strand (participates in β ladder)trans-101.4134.8168-63.4174.3000108.2L767 D800 V802 I816 N817 K818 F868 V878L767-L778 HydrophobicContact CD1-CD1 4.03Å; L767-L778 HydrophobicContact CD1-CG 3.97Å; L767-L778 HydrophobicContact CD2-CD2 4.04Å; L767-L778 HydrophobicContact CD2-CG 4.12Å; L778-D800 WeakPolarHBondContact CB-O 3.32Å; L778-V802 HydrophobicContact CD1-CG2 4.09Å; L778-I816 HydrophobicContact CD2-CG2 3.44Å; L778-I816 VanDerWaalsContact CD2-CG2 3.44Å; L778-N817 WeakPolarHBondContact CA-O 3.46Å; L778-K818 HydrophobicContact CD2-CB 4.29Å; L778-F868 HydrophobicContact CD1-CE1 4.31Å; L778-V878 HydrophobicContact CD1-CG2 3.86Å
779M89.5Confident82.6Confident74 Ų7488.4 Ų88.437%0.36546%0.455SS..  trans-118.5140.8177.6-70.4-59.4-6600109.6R777 G801 N817 E819R777-M779 HydrophobicContact CG-CG 4.35Å; R777-M779 HydrophobicContact CG-SD 4.48Å; M779-G801 WeakPolarHBondContact O-CA 3.44Å; M779-N817 PolarHBondContact N-O 2.84Å; M779-N817 VanDerWaalsContact N-O 3.15Å; M779-N817 WeakPolarHBondContact O-CB 3.48Å; M779-N817 PolarHBondContact O-ND2 3.02Å; M779-E819 VanDerWaalsContact CG-CD 3.46Å; M779-E819 HydrophobicContact CG-CG 4.2Å; M779-E819 WeakPolarHBondContact CG-OE2 3.14Å
780G88.7Confident82.5Confident21 Ų2186.4 Ų86.422%0.21645%0.446CS..  trans-58.9178.117100000113.4A799 N817G780-A799 WeakPolarHBondContact CA-O 3.47Å; G780-N817 PolarHBondContact O-ND2 2.88Å
781P87.9Confident82.3Confident40 Ų4089.9 Ų89.926%0.2646%0.457SS..PPolyproline II helixtrans-62.3140.118028.6-37000110.9L790 D794 L797 Q798P781-L790 HydrophobicContact CB-CD2 3.87Å; P781-L790 HydrophobicContact CG-CD2 4.22Å; P781-D794 HydrophobicContact CB-CB 3.88Å; P781-L797 HydrophobicContact CB-CB 4.26Å; P781-Q798 VanDerWaalsContact CD-O 3.23Å; P781-Q798 WeakPolarHBondContact CD-O 3.4Å
782S84.1Confident82.4Confident30 Ų3091.6 Ų91.621%0.2146%0.455CS..PPolyproline II helixtrans-83.8130.5173.325.30000111R791 D794 R850S782-R791 PolarHBondContact O-N 2.8Å; S782-D794 PolarHBondContact N-OD2 3.5Å; S782-D794 PolarHBondContact OG-OD2 2.93Å; S782-R850 VanDerWaalsContact CB-NH2 3.3Å; S782-R850 PolarHBondContact OG-NH1 3.39Å; S782-R850 PolarHBondContact OG-NH2 3Å
783I81.6Confident82.7Confident111 Ų11186.9 Ų86.957%0.56943%0.431SS*.BIsolated β-bridgetrans-87.3125.1167.5-58.1167.1000107.6R785 L790I783-R785 PolarHBondContact O-N 3.03Å; I783-L790 HydrophobicContact CG1-CD2 3.95Å
784E79.3Confident83.2Confident83 Ų8383.8 Ų83.839%0.38841%0.406SS..PPolyproline II helixtrans-66.4121.7170.6-77.4177.7-174.800109E786 T787 G788 V789 R791E784-E786 PolarHBondContact O-N 3.33Å; E784-T787 WeakPolarHBondContact CB-OG1 3.27Å; E784-T787 PolarHBondContact O-N 3.34Å; E784-T787 PolarHBondContact OE2-OG1 3.42Å; E784-G788 WeakPolarHBondContact O-CA 3.37Å; E784-G788 PolarHBondContact O-N 3.33Å; E784-V789 PolarHBondContact N-O 2.64Å; E784-R791 HydrophobicContact CG-CB 4.24Å
785R76.7Confident83.4Confident252 Ų25287.4 Ų87.495%0.95142%0.421SS*.THydrogen-bonded Turntrans-60.3-29.3-174.9-69.7-176178.9-179.8-0.6113.2I783I783-R785 PolarHBondContact O-N 3.03Å
786E78.7Confident83.7Confident191 Ų19181.1 Ų81.189%0.89340%0.397SS*.THydrogen-bonded Turntrans-79.4-39.5-174.6-64.5178.2-177.600112.7E784E784-E786 PolarHBondContact O-N 3.33Å
787T79.3Confident83.7Confident81 Ų8181.4 Ų81.450%0.49740%0.398SS..THydrogen-bonded Turntrans-102.8-19.3-17357.10000112.7E784 V789E784-T787 WeakPolarHBondContact CB-OG1 3.27Å; E784-T787 PolarHBondContact O-N 3.34Å; E784-T787 PolarHBondContact OE2-OG1 3.42Å; T787-V789 PolarHBondContact O-N 3.25Å; T787-V789 PolarHBondContact OG1-N 2.96Å
788G77.9Confident83.8Confident57 Ų5781 Ų8159%0.58840%0.401SS*.SBendtrans67.55.4-168.400000113.2E784E784-G788 WeakPolarHBondContact O-CA 3.37Å; E784-G788 PolarHBondContact O-N 3.33Å
789V80Confident83.7Confident90 Ų9083.7 Ų83.755%0.54543%0.428SS..SBendtrans-93151.1179.5-174.60000109E784 T787 R791E784-V789 PolarHBondContact N-O 2.64Å; T787-V789 PolarHBondContact O-N 3.25Å; T787-V789 PolarHBondContact OG1-N 2.96Å; V789-R791 PolarHBondContact O-N 3.24Å
790L80.8Confident83.8Confident63 Ų6383.2 Ų83.233%0.3343%0.427SS..BIsolated β-bridgetrans-58.3139.4170.7-66.5-178.9000110P781 I783 R792P781-L790 HydrophobicContact CB-CD2 3.87Å; P781-L790 HydrophobicContact CG-CD2 4.22Å; I783-L790 HydrophobicContact CG1-CD2 3.95Å; L790-R792 PolarHBondContact O-N 3.12Å
791R79.7Confident83.9Confident116 Ų11682.2 Ų82.244%0.43842%0.417SS..PPolyproline II helixtrans-53.4136.1173.3-176.4-176.9179.41781.1109.6S782 E784 V789 G793 D794 R850S782-R791 PolarHBondContact O-N 2.8Å; E784-R791 HydrophobicContact CG-CB 4.24Å; V789-R791 PolarHBondContact O-N 3.24Å; R791-G793 PolarHBondContact O-N 2.81Å; R791-G793 VanDerWaalsContact O-N 3.08Å; R791-D794 HydrophobicContact CB-CB 4.46Å; R791-D794 WeakPolarHBondContact O-CB 3.5Å; R791-D794 PolarHBondContact O-N 3.03Å; R791-R850 VanDerWaalsContact NH1-NH1 3.18Å
792R75.6Confident84.2Confident228 Ų22880.4 Ų80.486%0.8641%0.405SS*.THydrogen-bonded Turntrans-52.6119.2176.5-172.4178.3178.8179.61.6110.6L790L790-R792 PolarHBondContact O-N 3.12Å
793G81.8Confident84.6Confident5 Ų579 Ų795%0.05240%0.395CS..THydrogen-bonded Turntrans105.3-19.8-177.100000115.2R791 I814R791-G793 PolarHBondContact O-N 2.81Å; R791-G793 VanDerWaalsContact O-N 3.08Å; G793-I814 PolarHBondContact O-N 2.84Å
794D86.8Confident85.2Confident0 Ų078.5 Ų78.50%039%0.386CS..  trans-87.9-4.5179.2-69.92.6000112.8P781 S782 R791 V796 L797 I814 R850P781-D794 HydrophobicContact CB-CB 3.88Å; S782-D794 PolarHBondContact N-OD2 3.5Å; S782-D794 PolarHBondContact OG-OD2 2.93Å; R791-D794 HydrophobicContact CB-CB 4.46Å; R791-D794 WeakPolarHBondContact O-CB 3.5Å; R791-D794 PolarHBondContact O-N 3.03Å; D794-V796 PolarHBondContact O-N 2.84Å; D794-L797 HydrophobicContact CB-CD1 4.05Å; D794-L797 WeakPolarHBondContact O-CB 3.45Å; D794-L797 PolarHBondContact O-N 3.07Å; D794-I814 VanDerWaalsContact OD1-CD1 3.24Å; D794-I814 WeakPolarHBondContact OD1-CD1 3.44Å; D794-R850 IonicContact OD2-NH1 3.44Å
795E86.6Confident86Confident111 Ų11179.7 Ų79.752%0.51940%0.395SS..THydrogen-bonded Turntrans-52.9-30.5-173.9-66.1163.6-164.600114.4Q813E795-Q813 PolarHBondContact OE2-NE2 3.42Å
796V90.9Very high86.8Confident6 Ų670 Ų704%0.03637%0.373CS..THydrogen-bonded Turntrans-92.4-10.2-174.6-179.50000112.4D794 A803 Y804 A807 V809D794-V796 PolarHBondContact O-N 2.84Å; V796-A803 HydrophobicContact CG1-CB 3.76Å; V796-A803 WeakPolarHBondContact O-CA 3.49Å; V796-Y804 HydrophobicContact CG1-CD1 4.21Å; V796-Y804 HydrophobicContact CG1-CE1 4.05Å; V796-Y804 WeakPolarHBondContact O-CD1 3.32Å; V796-Y804 PolarHBondContact O-N 3.45Å; V796-A807 HydrophobicContact CG1-CB 3.22Å; V796-V809 HydrophobicContact CG1-CG2 4.21Å
797L91.9Very high87.5Confident12 Ų1261 Ų616%0.06333%0.331CS..BIsolated β-bridgetrans-80.4140.6-174.7-61.2175.5000112P781 D794 I814 N817P781-L797 HydrophobicContact CB-CB 4.26Å; D794-L797 HydrophobicContact CB-CD1 4.05Å; D794-L797 WeakPolarHBondContact O-CB 3.45Å; D794-L797 PolarHBondContact O-N 3.07Å; L797-I814 HydrophobicContact CD1-CB 4.16Å; L797-I814 HydrophobicContact CD1-CG2 4.06Å; L797-I814 HydrophobicContact CD2-CB 4.47Å; L797-I814 HydrophobicContact CD2-CG2 4.19Å; L797-I814 WeakPolarHBondContact CD2-O 3.31Å; L797-N817 HydrophobicContact CD1-CB 3.69Å
798Q91.3Very high88.3Confident93 Ų9359.3 Ų59.344%0.43532%0.322SS..  trans-87.3175.6168-57.8-172.9-7100110.9P781 D800 G801 V802 Y804P781-Q798 VanDerWaalsContact CD-O 3.23Å; P781-Q798 WeakPolarHBondContact CD-O 3.4Å; Q798-D800 WeakPolarHBondContact CB-OD1 3.41Å; Q798-D800 PolarHBondContact O-N 3.15Å; Q798-D800 VanDerWaalsContact O-N 3.13Å; Q798-G801 PolarHBondContact O-N 3.15Å; Q798-V802 PolarHBondContact N-O 3.07Å; Q798-Y804 VanDerWaalsContact CD-CB 3.43Å
799A89.6Confident89Confident94 Ų9456.6 Ų56.678%0.77729%0.294SS*.THydrogen-bonded Turntrans-59.1-23.818000000113.9G780 G801G780-A799 WeakPolarHBondContact CA-O 3.47Å; A799-G801 VanDerWaalsContact C-N 3.25Å; A799-G801 PolarHBondContact O-N 3.41Å
800D90.7Very high89.6Confident64 Ų6456 Ų5634%0.34229%0.288SS..THydrogen-bonded Turntrans-78.9-3.6175.665.6-4.2000113.9L778 Q798 V802 F868L778-D800 WeakPolarHBondContact CB-O 3.32Å; Q798-D800 WeakPolarHBondContact CB-OD1 3.41Å; Q798-D800 PolarHBondContact O-N 3.15Å; Q798-D800 VanDerWaalsContact O-N 3.13Å; D800-V802 PolarHBondContact OD1-N 3.33Å; D800-F868 WeakPolarHBondContact OD2-CZ 3.48Å
801G90.8Very high90Very high0 Ų056.8 Ų56.80%029%0.292CS..SBendtrans81.615.7-179.100000114.6M779 Q798 A799 N817M779-G801 WeakPolarHBondContact O-CA 3.44Å; Q798-G801 PolarHBondContact O-N 3.15Å; A799-G801 VanDerWaalsContact C-N 3.25Å; A799-G801 PolarHBondContact O-N 3.41Å; G801-N817 PolarHBondContact O-N 2.87Å
802V93.6Very high90.4Very high1 Ų159.5 Ų59.51%0.00630%0.303CS..BIsolated β-bridgetrans-120.5147.9179.5-173.50000110.7L778 Q798 D800 V866 F868 V878 I880L778-V802 HydrophobicContact CD1-CG2 4.09Å; Q798-V802 PolarHBondContact N-O 3.07Å; D800-V802 PolarHBondContact OD1-N 3.33Å; V802-V866 HydrophobicContact CG1-CG1 3.6Å; V802-V866 HydrophobicContact CG1-CG2 4.22Å; V802-F868 HydrophobicContact CB-CZ 4.26Å; V802-F868 HydrophobicContact CG2-CE1 4Å; V802-F868 HydrophobicContact CG2-CZ 3.71Å; V802-V878 HydrophobicContact CG1-CG1 4.33Å; V802-V878 HydrophobicContact CG2-CG1 4.02Å; V802-I880 HydrophobicContact CG1-CD1 3.73Å; V802-I880 HydrophobicContact CG1-CG1 4.07Å
803A93.9Very high91.2Very high0 Ų049.5 Ų49.50%027%0.266CS..BIsolated β-bridgetrans-61.5137.117600000112.6V796 L815 V863 V866V796-A803 HydrophobicContact CG1-CB 3.76Å; V796-A803 WeakPolarHBondContact O-CA 3.49Å; A803-L815 HydrophobicContact CB-CD2 4.29Å; A803-L815 PolarHBondContact N-O 3.08Å; A803-V863 HydrophobicContact CB-CG2 3.96Å; A803-V866 WeakPolarHBondContact O-CG2 3.41Å
804Y93.8Very high91.7Very high101 Ų10150.1 Ų50.140%0.39627%0.267SS..PPolyproline II helixtrans-70.1150.3177.966.7-90.6000112.7V796 Q798 G806 A807 V863V796-Y804 HydrophobicContact CG1-CD1 4.21Å; V796-Y804 HydrophobicContact CG1-CE1 4.05Å; V796-Y804 WeakPolarHBondContact O-CD1 3.32Å; V796-Y804 PolarHBondContact O-N 3.45Å; Q798-Y804 VanDerWaalsContact CD-CB 3.43Å; Y804-G806 PolarHBondContact O-N 3.39Å; Y804-A807 HydrophobicContact CD1-CB 3.95Å; Y804-A807 HydrophobicContact CD2-CB 3.82Å; Y804-A807 HydrophobicContact CE1-CB 3.64Å; Y804-A807 VanDerWaalsContact CE2-CA 3.46Å; Y804-A807 HydrophobicContact CE2-CB 3.52Å; Y804-A807 HydrophobicContact CG-CB 4Å; Y804-A807 VanDerWaalsContact CZ-CB 3.4Å; Y804-A807 VanDerWaalsContact O-CB 3.27Å; Y804-A807 WeakPolarHBondContact O-CB 3.35Å; Y804-A807 PolarHBondContact O-N 3.2Å; Y804-V863 WeakPolarHBondContact O-CB 3.14Å
805I95.5Very high92Very high109 Ų10950.1 Ų50.156%0.55927%0.267SS*.THydrogen-bonded Turntrans-67130177-61.7169.3000109.9E864 V866I805-E864 WeakPolarHBondContact CG2-O 3.13Å; I805-V866 HydrophobicContact CG1-CB 4.3Å; I805-V866 HydrophobicContact CG1-CG2 3.92Å
806G94.5Very high92.4Very high49 Ų4944.8 Ų44.851%0.50524%0.243SC..THydrogen-bonded Turntrans93.7-6.7-176.300000114.3Y804 V863Y804-G806 PolarHBondContact O-N 3.39Å; G806-V863 WeakPolarHBondContact CA-O 3.39Å; G806-V863 PolarHBondContact N-O 2.88Å
807A93.2Very high92.5Very high0 Ų044.5 Ų44.50%024%0.241CC..  trans-62.5138179.200000112.8V796 Y804 Y862 V863V796-A807 HydrophobicContact CG1-CB 3.22Å; Y804-A807 HydrophobicContact CD1-CB 3.95Å; Y804-A807 HydrophobicContact CD2-CB 3.82Å; Y804-A807 HydrophobicContact CE1-CB 3.64Å; Y804-A807 VanDerWaalsContact CE2-CA 3.46Å; Y804-A807 HydrophobicContact CE2-CB 3.52Å; Y804-A807 HydrophobicContact CG-CB 4Å; Y804-A807 VanDerWaalsContact CZ-CB 3.4Å; Y804-A807 VanDerWaalsContact O-CB 3.27Å; Y804-A807 WeakPolarHBondContact O-CB 3.35Å; Y804-A807 PolarHBondContact O-N 3.2Å; A807-Y862 CarbonylContact O-C 3.59Å; A807-Y862 VanDerWaalsContact O-CA 3.3Å; A807-Y862 WeakPolarHBondContact O-CA 3.38Å; A807-V863 HydrophobicContact CB-CG2 4.31Å; A807-V863 PolarHBondContact O-N 3.1Å
808C95.2Very high92.6Very high46 Ų4644.9 Ų44.931%0.31124%0.242SC..EExtended strand (participates in β ladder)trans-87.8111.8169.1-171.60000108.7P860 Y862C808-P860 VanDerWaalsContact SG-CB 3.58Å; C808-Y862 HydrophobicContact CB-CD1 4.11Å; C808-Y862 HydrophobicContact CB-CE1 3.72Å
809V93.6Very high92.6Very high0 Ų041.4 Ų41.40%023%0.226CC..EExtended strand (participates in β ladder)trans-101.5120.4-175.6-168.80000109.6V796 Q813 L815 Y855 P860 S861 V863V796-V809 HydrophobicContact CG1-CG2 4.21Å; V809-Q813 HydrophobicContact CG1-CB 3.81Å; V809-L815 HydrophobicContact CB-CD2 4.25Å; V809-L815 HydrophobicContact CG1-CD2 3.78Å; V809-L815 HydrophobicContact CG1-CG 4.49Å; V809-L815 HydrophobicContact CG2-CD2 3.75Å; V809-Y855 HydrophobicContact CB-CD1 4.48Å; V809-Y855 HydrophobicContact CB-CG 4.47Å; V809-Y855 VanDerWaalsContact CG1-CB 3.49Å; V809-Y855 HydrophobicContact CG1-CD1 4.03Å; V809-Y855 HydrophobicContact CG1-CG 3.88Å; V809-P860 VanDerWaalsContact O-CA 3.29Å; V809-P860 WeakPolarHBondContact O-CA 3.37Å; V809-S861 PolarHBondContact N-O 3.24Å; V809-S861 PolarHBondContact O-N 3.01Å; V809-V863 HydrophobicContact CG2-CG2 3.71Å
810N93.1Very high92.6Very high77 Ų7739.6 Ų39.641%0.41220%0.202SC..PPolyproline II helixtrans-94.4166.8175.5-64.8-47.9000111.5R812 Q813 Y855N810-R812 PolarHBondContact O-N 3.43Å; N810-Q813 HydrophobicContact CB-CG 4.5Å; N810-Q813 WeakPolarHBondContact O-CB 3.47Å; N810-Q813 PolarHBondContact O-N 3.1Å; N810-Q813 VanDerWaalsContact O-N 3.17Å; N810-Y855 WeakPolarHBondContact O-CD1 3.32Å
811D89.2Confident92.4Very high80 Ų8037.4 Ų37.443%0.42819%0.191SC..THydrogen-bonded Turntrans-52.5135.2179.4-16649.2000111.8Q813 K856 G857D811-Q813 PolarHBondContact O-N 3.26Å; D811-K856 WeakPolarHBondContact OD1-CA 3.34Å; D811-G857 WeakPolarHBondContact CB-O 3.4Å; D811-G857 PolarHBondContact OD1-N 2.82Å; D811-G857 VanDerWaalsContact OD1-N 3.12Å
812R87Confident91.9Very high173 Ų17340.9 Ų40.965%0.65321%0.212SC*.THydrogen-bonded Turntrans66.68.3-179.6-52.9176.4179-168.4-6.9116.3N810 Y855N810-R812 PolarHBondContact O-N 3.43Å; R812-Y855 PolarHBondContact N-O 2.56Å
813Q92.1Very high90.8Very high19 Ų1944.9 Ų44.99%0.08924%0.236CC..  trans-75.6146.9166.7-72.5-179.8-29.500111E795 V809 N810 D811 Y855E795-Q813 PolarHBondContact OE2-NE2 3.42Å; V809-Q813 HydrophobicContact CG1-CB 3.81Å; N810-Q813 HydrophobicContact CB-CG 4.5Å; N810-Q813 WeakPolarHBondContact O-CB 3.47Å; N810-Q813 PolarHBondContact O-N 3.1Å; N810-Q813 VanDerWaalsContact O-N 3.17Å; D811-Q813 PolarHBondContact O-N 3.26Å; Q813-Y855 PolarHBondContact O-N 3.41Å
814I92.5Very high89.2Confident17 Ų1747.7 Ų47.79%0.08726%0.256CS..EExtended strand (participates in β ladder)trans-84.9131.4-175.9-56.3-174000109.7G793 D794 L797 N817 P852G793-I814 PolarHBondContact O-N 2.84Å; D794-I814 VanDerWaalsContact OD1-CD1 3.24Å; D794-I814 WeakPolarHBondContact OD1-CD1 3.44Å; L797-I814 HydrophobicContact CD1-CB 4.16Å; L797-I814 HydrophobicContact CD1-CG2 4.06Å; L797-I814 HydrophobicContact CD2-CB 4.47Å; L797-I814 HydrophobicContact CD2-CG2 4.19Å; L797-I814 WeakPolarHBondContact CD2-O 3.31Å; I814-N817 HydrophobicContact CG2-CB 4.19Å; I814-P852 HydrophobicContact CD1-CB 3.83Å; I814-P852 HydrophobicContact CD1-CG 4.09Å; I814-P852 HydrophobicContact CG1-CB 4.3Å; I814-P852 HydrophobicContact CG2-CB 3.7Å
815L93.4Very high87.3Confident0 Ų048.3 Ų48.30%028%0.275CS..EExtended strand (participates in β ladder)trans-94.5-42.1175.9-67.2173.1000112.2A803 V809 V853 V863 I880 L882A803-L815 HydrophobicContact CB-CD2 4.29Å; A803-L815 PolarHBondContact N-O 3.08Å; V809-L815 HydrophobicContact CB-CD2 4.25Å; V809-L815 HydrophobicContact CG1-CD2 3.78Å; V809-L815 HydrophobicContact CG1-CG 4.49Å; V809-L815 HydrophobicContact CG2-CD2 3.75Å; L815-V853 WeakPolarHBondContact CB-O 3.42Å; L815-V853 PolarHBondContact N-O 3.28Å; L815-V863 HydrophobicContact CD2-CG2 4.4Å; L815-I880 HydrophobicContact CB-CD1 3.88Å; L815-I880 WeakPolarHBondContact O-CD1 3.44Å; L815-L882 HydrophobicContact CD1-CD1 3.84Å; L815-L882 HydrophobicContact CD1-CD2 4.39Å; L815-L882 HydrophobicContact CD2-CD2 3.91Å
816I94.2Very high85.2Confident0 Ų045.9 Ų45.90%027%0.268CS..EExtended strand (participates in β ladder)trans-136.3115.6-179.8-57.2172000107.6V765 L778 K818 P852 V853 V878 I880V765-I816 HydrophobicContact CB-CD1 4.28Å; V765-I816 HydrophobicContact CG2-CD1 3.86Å; V765-I816 HydrophobicContact CG2-CG2 4.35Å; L778-I816 HydrophobicContact CD2-CG2 3.44Å; L778-I816 VanDerWaalsContact CD2-CG2 3.44Å; I816-K818 PolarHBondContact O-N 2.87Å; I816-P852 WeakPolarHBondContact O-CA 3.44Å; I816-V853 HydrophobicContact CB-CB 4.26Å; I816-V853 PolarHBondContact N-O 3.19Å; I816-V853 PolarHBondContact O-N 3.23Å; I816-V878 HydrophobicContact CD1-CB 4.46Å; I816-V878 HydrophobicContact CD1-CG1 4.15Å; I816-I880 HydrophobicContact CD1-CD1 3.9Å; I816-I880 HydrophobicContact CD1-CG1 4.21Å; I816-I880 HydrophobicContact CG1-CD1 3.42Å; I816-I880 VanDerWaalsContact CG1-CD1 3.42Å; I816-I880 HydrophobicContact CG1-CG1 4.22Å
817N94.1Very high83Confident0 Ų044.4 Ų44.40%025%0.251CS..  trans-9083177.8-172.629.3000110.8L778 M779 G780 L797 G801 I814L778-N817 WeakPolarHBondContact CA-O 3.46Å; M779-N817 PolarHBondContact N-O 2.84Å; M779-N817 VanDerWaalsContact N-O 3.15Å; M779-N817 WeakPolarHBondContact O-CB 3.48Å; M779-N817 PolarHBondContact O-ND2 3.02Å; G780-N817 PolarHBondContact O-ND2 2.88Å; L797-N817 HydrophobicContact CD1-CB 3.69Å; G801-N817 PolarHBondContact O-N 2.87Å; I814-N817 HydrophobicContact CG2-CB 4.19Å
818K93.3Very high80.9Confident20 Ų2049.9 Ų49.99%0.08728%0.284CS..EExtended strand (participates in β ladder)trans-87.3135.1178.3-172.7-162-172.4169.60111.6V765 H766 L767 D776 L778 I816 M820 C851V765-K818 HydrophobicContact CG1-CD 3.63Å; V765-K818 HydrophobicContact CG1-CG 4.3Å; H766-K818 PolarHBondContact O-NZ 2.86Å; L767-K818 HydrophobicContact CD2-CG 4.12Å; D776-K818 WeakPolarHBondContact OD2-CE 3.12Å; D776-K818 IonicContact OD2-NZ 3.26Å; D776-K818 PolarHBondContact OD2-NZ 3.29Å; L778-K818 HydrophobicContact CD2-CB 4.29Å; I816-K818 PolarHBondContact O-N 2.87Å; K818-M820 HydrophobicContact CD-CG 4.06Å; K818-M820 HydrophobicContact CD-SD 4.45Å; K818-C851 CarbonylContact O-C 3.54Å; K818-C851 PolarHBondContact O-N 3.2Å
819E91.4Very high78.6Confident19 Ų1954.6 Ų54.69%0.08931%0.305CS..EExtended strand (participates in β ladder)trans-114135.9166.9-74.2-175.9179.200110.8D776 R777 M779 F848 R850D776-E819 WeakPolarHBondContact CA-O 3.22Å; R777-E819 HydrophobicContact CG-CB 3.89Å; R777-E819 IonicContact CZ-OE2 2.88Å; R777-E819 VanDerWaalsContact CZ-OE2 3.29Å; R777-E819 PolarHBondContact N-O 3.28Å; R777-E819 IonicContact NE-OE2 3.39Å; R777-E819 PolarHBondContact NE-OE2 3.37Å; R777-E819 IonicContact NH2-OE2 3.29Å; R777-E819 PolarHBondContact NH2-OE2 3.38Å; R777-E819 PolarHBondContact O-N 2.82Å; M779-E819 VanDerWaalsContact CG-CD 3.46Å; M779-E819 HydrophobicContact CG-CG 4.2Å; M779-E819 WeakPolarHBondContact CG-OE2 3.14Å; E819-F848 HydrophobicContact CB-CB 4.2Å; E819-F848 HydrophobicContact CB-CD1 4.31Å; E819-R850 HydrophobicContact CG-CG 3.69Å; E819-R850 WeakPolarHBondContact OE1-CG 3.21Å; E819-R850 IonicContact OE1-NE 3.67Å; E819-R850 PolarHBondContact OE1-NE 3.23Å
820M89Confident76.3Confident57 Ų5760 Ų6028%0.28133%0.334SS..EExtended strand (participates in β ladder)trans-117.4139.3177.8-65.7-174.66100110D776 K818 F848 K849 C851D776-M820 WeakPolarHBondContact OD1-CG 3.39Å; K818-M820 HydrophobicContact CD-CG 4.06Å; K818-M820 HydrophobicContact CD-SD 4.45Å; M820-F848 CarbonylContact O-C 3.33Å; M820-F848 WeakPolarHBondContact O-CA 3.48Å; M820-K849 PolarHBondContact N-O 3.4Å; M820-K849 PolarHBondContact O-N 3.47Å; M820-C851 HydrophobicContact CG-CB 4.2Å; M820-C851 HydrophobicContact SD-CB 4.16Å
821P87Confident74.2Confident17 Ų1760.2 Ų60.211%0.1134%0.336CS..EExtended strand (participates in β ladder)trans-64.5139.9174.728.1-34.5000111H770 V774 V823 F848H770-P821 WeakPolarHBondContact CD2-CG 3.25Å; V774-P821 HydrophobicContact CB-CG 4.33Å; V774-P821 HydrophobicContact CG1-CB 3.77Å; V774-P821 HydrophobicContact CG1-CG 3.82Å; P821-V823 PolarHBondContact O-N 3.06Å; P821-V823 VanDerWaalsContact O-N 3.07Å; P821-F848 HydrophobicContact CB-CD1 4.29Å; P821-F848 HydrophobicContact CB-CE1 4.11Å
822V81.4Confident72.1Confident74 Ų7460.3 Ų60.345%0.44835%0.347SS..  trans-75.795.5173.6-177.60000108.1S824 E847 K849V822-S824 PolarHBondContact O-N 3.21Å; V822-E847 HydrophobicContact CG2-CB 4.46Å; V822-E847 HydrophobicContact CG2-CG 4.33Å; V822-E847 PolarHBondContact N-O 2.93Å; V822-K849 HydrophobicContact CG2-CB 3.82Å
823V70Confident69.9Low84 Ų8455.6 Ų55.651%0.50935%0.353SS..  trans-81.697.5171.8-171.10000107.6P821 S825P821-V823 PolarHBondContact O-N 3.06Å; P821-V823 VanDerWaalsContact O-N 3.07Å; V823-S825 PolarHBondContact O-N 3.01Å
824S60.3Low67.5Low59 Ų5958 Ų5841%0.41337%0.372SS..  trans-65.3128.6169.3560000108.5V822 S826 A827V822-S824 PolarHBondContact O-N 3.21Å; S824-S826 WeakPolarHBondContact CB-OG 3.32Å; S824-S826 PolarHBondContact O-N 3.12Å; S824-S826 PolarHBondContact OG-OG 2.88Å; S824-A827 WeakPolarHBondContact O-CB 3.25Å; S824-A827 PolarHBondContact O-N 2.83Å
825S53.9Low64.8Low114 Ų11465.4 Ų65.480%0.79741%0.41SS*.THydrogen-bonded Turntrans-60.5-14.1178.3-51.50000113V823 A827V823-S825 PolarHBondContact O-N 3.01Å; S825-A827 VanDerWaalsContact C-N 3.35Å
826S50.3Low62.2Low58 Ų5869 Ų6941%0.40644%0.436SS..THydrogen-bonded Turntrans-72.8-19.6172.742.30000114.2S824 V828 L829 D830S824-S826 WeakPolarHBondContact CB-OG 3.32Å; S824-S826 PolarHBondContact O-N 3.12Å; S824-S826 PolarHBondContact OG-OG 2.88Å; S826-V828 PolarHBondContact O-N 3.46Å; S826-V828 VanDerWaalsContact O-N 3.11Å; S826-L829 PolarHBondContact O-N 2.99Å; S826-D830 PolarHBondContact O-N 2.91Å; S826-D830 VanDerWaalsContact O-N 3.09Å
827A49Very low59.6Low18 Ų1877 Ų7715%0.14948%0.478CS..Hα-helixtrans-63.6-19.9-178.300000114.1S824 S825 N831S824-A827 WeakPolarHBondContact O-CB 3.25Å; S824-A827 PolarHBondContact O-N 2.83Å; S825-A827 VanDerWaalsContact C-N 3.35Å; A827-N831 WeakPolarHBondContact O-CB 3.41Å; A827-N831 PolarHBondContact O-N 3.37Å; A827-N831 PolarHBondContact O-ND2 2.95Å
828V48.4Very low56.9Low115 Ų11582.4 Ų82.470%0.69751%0.507SS*.Hα-helixtrans-76.3-27176.6-175.50000111.9S826S826-V828 PolarHBondContact O-N 3.46Å; S826-V828 VanDerWaalsContact O-N 3.11Å
829L46.7Very low54.9Low145 Ų14587.9 Ų87.976%0.75954%0.541SS*.Hα-helixtrans-93.2-37.7179.5-83.1149.9000112.1S826S826-L829 PolarHBondContact O-N 2.99Å
830D46.6Very low52.6Low114 Ų11494 Ų9461%0.6158%0.575SS**Hα-helixtrans-77.5-29.5-178.4-67.6-28.8000112.7S826 A832S826-D830 PolarHBondContact O-N 2.91Å; S826-D830 VanDerWaalsContact O-N 3.09Å; D830-A832 VanDerWaalsContact C-N 3.34Å; D830-A832 PolarHBondContact O-N 3.14Å
831N48.6Very low50.6Low82 Ų8296 Ų9644%0.43959%0.59SS.*THydrogen-bonded Turntrans-83.7-4.8-179.5-66.5-24.9000114.3A827 G833A827-N831 WeakPolarHBondContact O-CB 3.41Å; A827-N831 PolarHBondContact O-N 3.37Å; A827-N831 PolarHBondContact O-ND2 2.95Å; N831-G833 PolarHBondContact O-N 2.71Å
832A45.2Very low48.4Very low81 Ų8199 Ų9967%0.66961%0.61SS**THydrogen-bonded Turntrans-73.8-14.217500000112.9D830D830-A832 VanDerWaalsContact C-N 3.34Å; D830-A832 PolarHBondContact O-N 3.14Å
833G41.1Very low46.8Very low75 Ų75104.5 Ų104.577%0.77363%0.63SS**SBendtrans-109.3-8.4-178.100000116.2N831N831-G833 PolarHBondContact O-N 2.71Å
834S40.3Very low45.9Very low70 Ų70107.8 Ų107.849%0.4965%0.645SS.*  trans-128.758.8-175.768.90000112.4S836S834-S836 PolarHBondContact O-N 2.84Å
835L37.2Very low45.8Very low171 Ų171108.5 Ų108.590%0.89566%0.655SS**  trans-73.571.2159.3-95103.6000109.5
836S38.5Very low46.5Very low76 Ų76106.2 Ų106.253%0.53164%0.636SS.*  trans-133.2109.2158.959.80000107.7S834 N838S834-S836 PolarHBondContact O-N 2.84Å; S836-N838 PolarHBondContact O-N 3.14Å
837L39.3Very low48Very low169 Ų169110.5 Ų110.589%0.88565%0.65SS**  trans-51.485.9162.3-76.3120.4000109.2V839L837-V839 PolarHBondContact O-N 2.92Å
838N38.2Very low49.6Very low113 Ų113111.8 Ų111.860%0.60465%0.652SS**  trans-79.998.8162.5-87.4-11.7000106.9S836 N840 T841S836-N838 PolarHBondContact O-N 3.14Å; N838-N840 PolarHBondContact O-N 3.42Å; N838-T841 PolarHBondContact O-N 3.3Å; N838-T841 VanDerWaalsContact O-N 3.08Å; N838-T841 PolarHBondContact O-OG1 2.89Å
839V49.7Very low51.5Low134 Ų134112.8 Ų112.881%0.81265%0.647SS**THydrogen-bonded Turntrans-54.8-4.9169.21780000112.4L837L837-V839 PolarHBondContact O-N 2.92Å
840N44.7Very low53.5Low149 Ų149109.2 Ų109.280%0.79762%0.623SS**THydrogen-bonded Turntrans-110.111.8178.7-67.3-15.2000114.9N838 P842N838-N840 PolarHBondContact O-N 3.42Å; N840-P842 WeakPolarHBondContact O-CD 3.26Å
841T45.6Very low55.5Low97 Ų97106 Ų10660%0.59561%0.609SS**SBendtrans-75.6114.6166.9-11.60000107.7N838 E843N838-T841 PolarHBondContact O-N 3.3Å; N838-T841 VanDerWaalsContact O-N 3.08Å; N838-T841 PolarHBondContact O-OG1 2.89Å; T841-E843 PolarHBondContact O-N 2.85Å
842P42.1Very low57.5Low82 Ų82104.4 Ų104.453%0.53260%0.603SS.*  trans-60.3138.7-176.724.3-32000109.2N840 N844 A845N840-P842 WeakPolarHBondContact O-CD 3.26Å; P842-N844 HydrophobicContact CB-CB 4.44Å; P842-N844 PolarHBondContact O-N 2.96Å; P842-A845 PolarHBondContact O-N 2.83Å
843E48.1Very low59.7Low188 Ų188102.4 Ų102.488%0.87958%0.583SS**G310 helixtrans-50-18.2174.5-66.9-177.7151.300112.7T841 A845T841-E843 PolarHBondContact O-N 2.85Å; E843-A845 PolarHBondContact O-N 2.62Å
844N50.4Low62.1Low154 Ų154101.7 Ų101.782%0.82456%0.561SS**G310 helixtrans-75.2-2.1176.3-70-20.8000116.6P842 T846P842-N844 HydrophobicContact CB-CB 4.44Å; P842-N844 PolarHBondContact O-N 2.96Å; N844-T846 VanDerWaalsContact C-N 3.35Å
845A58.1Low64.5Low73 Ų7398.9 Ų98.960%0.60354%0.54SS*.G310 helixtrans-81.8-8.1-178.400000114.6P842 E843 E847P842-A845 PolarHBondContact O-N 2.83Å; E843-A845 PolarHBondContact O-N 2.62Å; A845-E847 PolarHBondContact O-N 3.46Å
846T69.1Low66.8Low67 Ų6796.9 Ų96.941%0.41152%0.524SS..  trans-85.2110.3177.250.20000110.8V774 N844 F848V774-T846 HydrophobicContact CG2-CG2 4.41Å; N844-T846 VanDerWaalsContact C-N 3.35Å; T846-F848 WeakPolarHBondContact O-CD2 3.39Å; T846-F848 WeakPolarHBondContact O-CE2 3.49Å; T846-F848 VanDerWaalsContact OG1-CE2 3.28Å; T846-F848 WeakPolarHBondContact OG1-CE2 3.23Å
847E80.4Confident69Low148 Ų14894.1 Ų94.169%0.69251%0.507SS*.  trans-76.3128.2175.7-166.8-179.9175.900110.2V822 A845V822-E847 HydrophobicContact CG2-CB 4.46Å; V822-E847 HydrophobicContact CG2-CG 4.33Å; V822-E847 PolarHBondContact N-O 2.93Å; A845-E847 PolarHBondContact O-N 3.46Å
848F83.5Confident71.2Confident44 Ų4491.4 Ų91.419%0.19349%0.492CS..EExtended strand (participates in β ladder)trans-108.7133.6178.2-71.9-92.2000111.1V774 R777 E819 M820 P821 T846V774-F848 HydrophobicContact CG1-CE1 4.29Å; V774-F848 HydrophobicContact CG1-CZ 4.11Å; R777-F848 HydrophobicContact CG-CD1 4.33Å; R777-F848 HydrophobicContact CG-CE1 4.24Å; R777-F848 VanDerWaalsContact CZ-CD2 3.49Å; E819-F848 HydrophobicContact CB-CB 4.2Å; E819-F848 HydrophobicContact CB-CD1 4.31Å; M820-F848 CarbonylContact O-C 3.33Å; M820-F848 WeakPolarHBondContact O-CA 3.48Å; P821-F848 HydrophobicContact CB-CD1 4.29Å; P821-F848 HydrophobicContact CB-CE1 4.11Å; T846-F848 WeakPolarHBondContact O-CD2 3.39Å; T846-F848 WeakPolarHBondContact O-CE2 3.49Å; T846-F848 VanDerWaalsContact OG1-CE2 3.28Å; T846-F848 WeakPolarHBondContact OG1-CE2 3.23Å
849K88Confident73.7Confident136 Ų13689.8 Ų89.859%0.59148%0.481SS*.EExtended strand (participates in β ladder)trans-96.3127.4170.4-179.2179.1179.91790110M820 V822 C851M820-K849 PolarHBondContact N-O 3.4Å; M820-K849 PolarHBondContact O-N 3.47Å; V822-K849 HydrophobicContact CG2-CB 3.82Å; K849-C851 PolarHBondContact O-N 2.82Å
850R87.8Confident75.8Confident71 Ų7186 Ų8627%0.26846%0.459SS..EExtended strand (participates in β ladder)trans-65.5125.6169.3-86.2-171.4175.7-162.36.8111.2S782 R791 D794 E819 P852S782-R850 VanDerWaalsContact CB-NH2 3.3Å; S782-R850 PolarHBondContact OG-NH1 3.39Å; S782-R850 PolarHBondContact OG-NH2 3Å; R791-R850 VanDerWaalsContact NH1-NH1 3.18Å; D794-R850 IonicContact OD2-NH1 3.44Å; E819-R850 HydrophobicContact CG-CG 3.69Å; E819-R850 WeakPolarHBondContact OE1-CG 3.21Å; E819-R850 IonicContact OE1-NE 3.67Å; E819-R850 PolarHBondContact OE1-NE 3.23Å; R850-P852 VanDerWaalsContact C-CD 3.47Å
851C89Confident78.2Confident45 Ų4578.9 Ų78.930%0.30442%0.422SS..  trans-131.958.5176.6-68.70000110K818 M820 K849K818-C851 CarbonylContact O-C 3.54Å; K818-C851 PolarHBondContact O-N 3.2Å; M820-C851 HydrophobicContact CG-CB 4.2Å; M820-C851 HydrophobicContact SD-CB 4.16Å; K849-C851 PolarHBondContact O-N 2.82Å
852P91.1Very high80.6Confident49 Ų4979.3 Ų79.332%0.31841%0.413SS..  trans-66.5156.9-175.129.8-36.3000112.2I814 I816 R850I814-P852 HydrophobicContact CD1-CB 3.83Å; I814-P852 HydrophobicContact CD1-CG 4.09Å; I814-P852 HydrophobicContact CG1-CB 4.3Å; I814-P852 HydrophobicContact CG2-CB 3.7Å; I816-P852 WeakPolarHBondContact O-CA 3.44Å; R850-P852 VanDerWaalsContact C-CD 3.47Å
853V91.4Very high83.2Confident40 Ų4075.5 Ų75.524%0.24239%0.388CS..EExtended strand (participates in β ladder)trans-99.3112.1167.6179.10000108.6V765 L815 I816V765-V853 HydrophobicContact CG2-CB 4.48Å; V765-V853 HydrophobicContact CG2-CG2 3.34Å; L815-V853 WeakPolarHBondContact CB-O 3.42Å; L815-V853 PolarHBondContact N-O 3.28Å; I816-V853 HydrophobicContact CB-CB 4.26Å; I816-V853 PolarHBondContact N-O 3.19Å; I816-V853 PolarHBondContact O-N 3.23Å
854D90.6Very high85.4Confident60 Ų6068.4 Ų68.432%0.32136%0.355SS..EExtended strand (participates in β ladder)trans-92.9147.1178.458.2-32.7000112K856D854-K856 VanDerWaalsContact OD1-CE 3.25Å; D854-K856 WeakPolarHBondContact OD1-CE 3.42Å; D854-K856 IonicContact OD1-NZ 3.61Å; D854-K856 WeakPolarHBondContact OD2-CE 3.44Å; D854-K856 IonicContact OD2-NZ 3.43Å
855Y91.3Very high87.5Confident10 Ų1063.2 Ų63.24%0.03933%0.325CS..  trans-78.3126.6167.7177.3-107.6000110V809 N810 R812 Q813 E859 S861 L882 Q884V809-Y855 HydrophobicContact CB-CD1 4.48Å; V809-Y855 HydrophobicContact CB-CG 4.47Å; V809-Y855 VanDerWaalsContact CG1-CB 3.49Å; V809-Y855 HydrophobicContact CG1-CD1 4.03Å; V809-Y855 HydrophobicContact CG1-CG 3.88Å; N810-Y855 WeakPolarHBondContact O-CD1 3.32Å; R812-Y855 PolarHBondContact N-O 2.56Å; Q813-Y855 PolarHBondContact O-N 3.41Å; Y855-E859 WeakPolarHBondContact CE1-O 3.46Å; Y855-E859 PolarHBondContact OH-O 3.37Å; Y855-S861 VanDerWaalsContact CE2-OG 3.23Å; Y855-S861 WeakPolarHBondContact CE2-OG 3.35Å; Y855-S861 PolarHBondContact OH-OG 2.9Å; Y855-L882 HydrophobicContact CD2-CD1 3.65Å; Y855-L882 HydrophobicContact CE2-CD1 3.98Å; Y855-Q884 PolarHBondContact OH-NE2 2.96Å
856K86Confident89.2Confident130 Ų13061.2 Ų61.257%0.56531%0.306SS*.  trans-119.6109.4176.8-61.9-177.4-176.2-178.60109.2D811 D854D811-K856 WeakPolarHBondContact OD1-CA 3.34Å; D854-K856 VanDerWaalsContact OD1-CE 3.25Å; D854-K856 WeakPolarHBondContact OD1-CE 3.42Å; D854-K856 IonicContact OD1-NZ 3.61Å; D854-K856 WeakPolarHBondContact OD2-CE 3.44Å; D854-K856 IonicContact OD2-NZ 3.43Å
857G84.7Confident90.4Very high17 Ų1759.4 Ų59.418%0.17529%0.293CS..  trans-169.9147.6-175.800000112.7D811D811-G857 WeakPolarHBondContact CB-O 3.4Å; D811-G857 PolarHBondContact OD1-N 2.82Å; D811-G857 VanDerWaalsContact OD1-N 3.12Å
858I85.7Confident90.9Very high112 Ų11257.5 Ų57.557%0.57428%0.282SS*.SBendtrans-69.5-46.7178.2-59.2173.2000110V1017 R1036I858-V1017 HydrophobicContact CD1-CB 4.22Å; I858-V1017 HydrophobicContact CD1-CG1 4.04Å; I858-R1036 VanDerWaalsContact CD1-NH2 3.32Å
859E89.7Confident91.2Very high79 Ų7956.8 Ų56.837%0.36928%0.283SS..SBendtrans-97.3153.5177.5-73.2-156.4166.500111.9Y855 Q884 M1014Y855-E859 WeakPolarHBondContact CE1-O 3.46Å; Y855-E859 PolarHBondContact OH-O 3.37Å; E859-Q884 PolarHBondContact O-NE2 3.09Å; E859-M1014 HydrophobicContact CB-SD 4.31Å; E859-M1014 HydrophobicContact CG-CE 3.9Å; E859-M1014 HydrophobicContact CG-SD 3.98Å; E859-M1014 VanDerWaalsContact OE1-CE 3.24Å; E859-M1014 WeakPolarHBondContact OE1-CE 3.23Å; E859-M1014 WeakPolarHBondContact OE2-CE 3.19Å
860P93.8Very high91.3Very high54 Ų5453.3 Ų53.335%0.35127%0.273SS..  trans-58.3153.9171.224-33000112.1C808 V809 Q884C808-P860 VanDerWaalsContact SG-CB 3.58Å; V809-P860 VanDerWaalsContact O-CA 3.29Å; V809-P860 WeakPolarHBondContact O-CA 3.37Å; P860-Q884 PolarHBondContact O-NE2 3.15Å; P860-Q884 VanDerWaalsContact O-NE2 3.15Å
861S95.1Very high91.1Very high1 Ų150.6 Ų50.61%0.00727%0.265CS..EExtended strand (participates in β ladder)trans-125.9149.2171.1-77.60000110.2V809 Y855 Q884V809-S861 PolarHBondContact N-O 3.24Å; V809-S861 PolarHBondContact O-N 3.01Å; Y855-S861 VanDerWaalsContact CE2-OG 3.23Å; Y855-S861 WeakPolarHBondContact CE2-OG 3.35Å; Y855-S861 PolarHBondContact OH-OG 2.9Å; S861-Q884 VanDerWaalsContact OG-CD 3.28Å; S861-Q884 WeakPolarHBondContact OG-CG 3.22Å; S861-Q884 PolarHBondContact OG-NE2 2.97Å; S861-Q884 VanDerWaalsContact OG-NE2 3.09Å
862Y96.7Very high90.5Very high105 Ų10552.6 Ų52.641%0.41227%0.27SS..EExtended strand (participates in β ladder)trans-99.4138.1174.5-65.9-88.7000111A807 C808 E864 L882 R883A807-Y862 CarbonylContact O-C 3.59Å; A807-Y862 VanDerWaalsContact O-CA 3.3Å; A807-Y862 WeakPolarHBondContact O-CA 3.38Å; C808-Y862 HydrophobicContact CB-CD1 4.11Å; C808-Y862 HydrophobicContact CB-CE1 3.72Å; Y862-E864 PolarHBondContact O-N 3.28Å; Y862-L882 CarbonylContact O-C 3.47Å; Y862-L882 VanDerWaalsContact O-CA 3.31Å; Y862-L882 WeakPolarHBondContact O-CA 3.38Å; Y862-R883 PolarHBondContact N-O 3.16Å; Y862-R883 PolarHBondContact O-N 3.47Å
863V96.1Very high89.7Confident2 Ų253.7 Ų53.71%0.01229%0.29CS..EExtended strand (participates in β ladder)trans-75.8109.2170.9178.50000109.1A803 Y804 G806 A807 V809 L815 V866 I880 L882A803-V863 HydrophobicContact CB-CG2 3.96Å; Y804-V863 WeakPolarHBondContact O-CB 3.14Å; G806-V863 WeakPolarHBondContact CA-O 3.39Å; G806-V863 PolarHBondContact N-O 2.88Å; A807-V863 HydrophobicContact CB-CG2 4.31Å; A807-V863 PolarHBondContact O-N 3.1Å; V809-V863 HydrophobicContact CG2-CG2 3.71Å; L815-V863 HydrophobicContact CD2-CG2 4.4Å; V863-V866 HydrophobicContact CG1-CG2 3.82Å; V863-I880 HydrophobicContact CG1-CG2 3.78Å; V863-I880 HydrophobicContact CG2-CG2 4.26Å; V863-L882 HydrophobicContact CG2-CD2 3.85Å
864E94.8Very high89Confident40 Ų4057.4 Ų57.419%0.18731%0.309CS..EExtended strand (participates in β ladder)trans-82.5-46.4-179.7-16697.9157.500111.4Y760 I805 Y862 L881 R883Y760-E864 HydrophobicContact CE1-CB 4.49Å; Y760-E864 HydrophobicContact CE1-CG 4.08Å; Y760-E864 PolarHBondContact OH-OE1 2.81Å; I805-E864 WeakPolarHBondContact CG2-O 3.13Å; Y862-E864 PolarHBondContact O-N 3.28Å; E864-L881 WeakPolarHBondContact CB-O 3.39Å; E864-L881 PolarHBondContact N-O 3.27Å; E864-R883 HydrophobicContact CB-CB 4.37Å; E864-R883 VanDerWaalsContact CD-NH1 3.3Å; E864-R883 IonicContact OE1-CZ 3.67Å; E864-R883 IonicContact OE1-NH1 2.75Å; E864-R883 PolarHBondContact OE1-NH1 3.15Å; E864-R883 WeakPolarHBondContact OE2-CB 3.28Å; E864-R883 WeakPolarHBondContact OE2-CD 3.36Å; E864-R883 IonicContact OE2-CZ 3.98Å; E864-R883 IonicContact OE2-NE 3.05Å; E864-R883 PolarHBondContact OE2-NE 3.22Å; E864-R883 IonicContact OE2-NH1 2.99Å; E864-R883 PolarHBondContact OE2-NH1 3.02Å; E864-R883 IonicContact OE2-NH2 2.8Å
865K94.4Very high88.7Confident44 Ų4457.6 Ų57.619%0.19131%0.307CS..EExtended strand (participates in β ladder)trans-148.1142.5-172.6-63.7-179.6-69.1173.10110.4Q690 R692 F693 I880 L881Q690-K865 WeakPolarHBondContact O-CE 3.46Å; Q690-K865 PolarHBondContact O-NZ 3.37Å; R692-K865 PolarHBondContact O-NZ 2.91Å; F693-K865 HydrophobicContact CE1-CB 4.14Å; F693-K865 HydrophobicContact CE2-CD 4.31Å; F693-K865 HydrophobicContact CZ-CB 3.69Å; F693-K865 HydrophobicContact CZ-CD 4.2Å; K865-I880 WeakPolarHBondContact O-CA 3.45Å; K865-L881 HydrophobicContact CB-CB 4.28Å; K865-L881 PolarHBondContact N-O 3.27Å; K865-L881 PolarHBondContact O-N 2.8Å
866V94.4Very high88.6Confident32 Ų3259 Ų5919%0.19432%0.321CS..EExtended strand (participates in β ladder)trans-119.8137.7168.8-179.50000107.6V802 A803 I805 V863 F868 K879 I880V802-V866 HydrophobicContact CG1-CG1 3.6Å; V802-V866 HydrophobicContact CG1-CG2 4.22Å; A803-V866 WeakPolarHBondContact O-CG2 3.41Å; I805-V866 HydrophobicContact CG1-CB 4.3Å; I805-V866 HydrophobicContact CG1-CG2 3.92Å; V863-V866 HydrophobicContact CG1-CG2 3.82Å; V866-F868 HydrophobicContact CG1-CD2 4.32Å; V866-F868 HydrophobicContact CG1-CE2 3.75Å; V866-F868 HydrophobicContact CG1-CZ 4.26Å; V866-K879 CarbonylContact C-O 3.55Å; V866-K879 WeakPolarHBondContact CA-O 3.25Å; V866-I880 HydrophobicContact CG2-CG1 4.3Å
867M93Very high88.8Confident29 Ų2952.9 Ų52.914%0.14330%0.295CS..EExtended strand (participates in β ladder)trans-136.8128.8-179.8-177.2-83.9-79.500110L81 F693 S869 V878 K879L81-M867 HydrophobicContact CB-CE 4.12Å; L81-M867 WeakPolarHBondContact O-CE 3.42Å; F693-M867 HydrophobicContact CE1-CB 4.07Å; F693-M867 HydrophobicContact CE2-CB 4.21Å; F693-M867 HydrophobicContact CZ-CB 3.64Å; M867-S869 WeakPolarHBondContact SD-CB 3.01Å; M867-V878 WeakPolarHBondContact O-CA 3.44Å; M867-K879 HydrophobicContact CE-CB 4.17Å; M867-K879 HydrophobicContact CE-CD 3.6Å; M867-K879 HydrophobicContact CE-CG 4.08Å; M867-K879 PolarHBondContact N-O 3.18Å; M867-K879 PolarHBondContact O-N 2.76Å
868F92.6Very high89.3Confident108 Ų10852.2 Ų52.247%0.47429%0.287SS..EExtended strand (participates in β ladder)trans-105.4133.2170.9-64.4-92.4000108.8L778 D800 V802 V866 V878L778-F868 HydrophobicContact CD1-CE1 4.31Å; D800-F868 WeakPolarHBondContact OD2-CZ 3.48Å; V802-F868 HydrophobicContact CB-CZ 4.26Å; V802-F868 HydrophobicContact CG2-CE1 4Å; V802-F868 HydrophobicContact CG2-CZ 3.71Å; V866-F868 HydrophobicContact CG1-CD2 4.32Å; V866-F868 HydrophobicContact CG1-CE2 3.75Å; V866-F868 HydrophobicContact CG1-CZ 4.26Å; F868-V878 HydrophobicContact CD1-CB 4.48Å; F868-V878 HydrophobicContact CD1-CG1 4.32Å; F868-V878 HydrophobicContact CD1-CG2 3.53Å; F868-V878 HydrophobicContact CE1-CG1 4.05Å; F868-V878 HydrophobicContact CE1-CG2 3.65Å; F868-V878 HydrophobicContact CZ-CG1 4.45Å
869S89.9Confident89.7Confident29 Ų2947 Ų4720%0.20326%0.26CS..EExtended strand (participates in β ladder)trans-152.9179.4175.9-160.30000112.8R82 M867 A876 V877R82-S869 WeakPolarHBondContact CG-OG 3.48Å; M867-S869 WeakPolarHBondContact SD-CB 3.01Å; S869-A876 CarbonylContact O-C 3.56Å; S869-A876 WeakPolarHBondContact O-CA 3.14Å; S869-V877 PolarHBondContact N-O 3Å; S869-V877 PolarHBondContact O-N 3.25Å
870T88.3Confident89.9Confident62 Ų6243.2 Ų43.238%0.3824%0.243SC..EExtended strand (participates in β ladder)trans-119.9130176.256.10000109.7R82 Q875R82-T870 PolarHBondContact NE-O 3.46Å; R82-T870 PolarHBondContact NH2-O 3.17Å; R82-T870 VanDerWaalsContact NH2-O 3.17Å; R82-T870 PolarHBondContact NH2-OG1 2.85Å; T870-Q875 WeakPolarHBondContact CA-O 3.36Å
871S84.1Confident90Very high15 Ų1540.8 Ų40.811%0.10523%0.227CC..  trans-92.7-173.5174.5-160.10000111.3R82 G873 N874 Q875R82-S871 PolarHBondContact O-OG 2.96Å; S871-G873 PolarHBondContact O-N 3.37Å; S871-N874 PolarHBondContact O-N 3.12Å; S871-Q875 PolarHBondContact N-O 3.06Å
872E76.1Confident90Very high86 Ų8640.9 Ų40.940%0.40223%0.227SC..THydrogen-bonded Turntrans-59.3136173.7-62.4-171.2164.900110L84 R112L84-E872 HydrophobicContact CD2-CB 4.35Å; L84-E872 HydrophobicContact CD2-CG 3.4Å; R112-E872 IonicContact NH1-OE1 2.89Å
873G74.6Confident90Very high72 Ų7239.6 Ų39.674%0.74222%0.222SC*.THydrogen-bonded Turntrans80.122.7-177.400000115.1S871 Q875S871-G873 PolarHBondContact O-N 3.37Å; G873-Q875 PolarHBondContact O-N 2.78Å; G873-Q875 VanDerWaalsContact O-N 3.14Å
874N77.3Confident89.9Confident119 Ų11940 Ų4064%0.63622%0.223SC*.SBendtrans58.223.8178.5-66.1-16.6000114.6S871S871-N874 PolarHBondContact O-N 3.12Å
875Q83.4Confident89.9Confident63 Ų6341 Ų4129%0.29423%0.233SC..  trans-76.4126.1174.1-64.7-174.7-0.500110.1T870 S871 G873T870-Q875 WeakPolarHBondContact CA-O 3.36Å; S871-Q875 PolarHBondContact N-O 3.06Å; G873-Q875 PolarHBondContact O-N 2.78Å; G873-Q875 VanDerWaalsContact O-N 3.14Å
876A89.3Confident90Very high40 Ų4039.2 Ų39.233%0.33123%0.225SC..EExtended strand (participates in β ladder)trans-71.8137.2175.400000110.6L767 S869L767-A876 HydrophobicContact CB-CB 4.19Å; L767-A876 HydrophobicContact CD1-CB 4.01Å; L767-A876 HydrophobicContact CG-CB 4.47Å; L767-A876 PolarHBondContact N-O 2.84Å; S869-A876 CarbonylContact O-C 3.56Å; S869-A876 WeakPolarHBondContact O-CA 3.14Å
877V91.3Very high90Very high2 Ų243 Ų431%0.01224%0.236CC..EExtended strand (participates in β ladder)trans-125.1127.6-179.3-173.10000108.7V765 H766 S869 K879V765-V877 WeakPolarHBondContact O-CA 3.47Å; H766-V877 WeakPolarHBondContact ND1-CG2 3.41Å; S869-V877 PolarHBondContact N-O 3Å; S869-V877 PolarHBondContact O-N 3.25Å; V877-K879 HydrophobicContact CG1-CG 4.1Å
878V93.7Very high90.1Very high2 Ų241.9 Ų41.91%0.01223%0.23CC..EExtended strand (participates in β ladder)trans-113.7126.9174.4-176.10000108.8G764 V765 L778 V802 I816 M867 F868G764-V878 CarbonylContact C-O 3.33Å; G764-V878 WeakPolarHBondContact CA-O 3.36Å; V765-V878 PolarHBondContact N-O 2.98Å; V765-V878 PolarHBondContact O-N 2.83Å; L778-V878 HydrophobicContact CD1-CG2 3.86Å; V802-V878 HydrophobicContact CG1-CG1 4.33Å; V802-V878 HydrophobicContact CG2-CG1 4.02Å; I816-V878 HydrophobicContact CD1-CB 4.46Å; I816-V878 HydrophobicContact CD1-CG1 4.15Å; M867-V878 WeakPolarHBondContact O-CA 3.44Å; F868-V878 HydrophobicContact CD1-CB 4.48Å; F868-V878 HydrophobicContact CD1-CG1 4.32Å; F868-V878 HydrophobicContact CD1-CG2 3.53Å; F868-V878 HydrophobicContact CE1-CG1 4.05Å; F868-V878 HydrophobicContact CE1-CG2 3.65Å; F868-V878 HydrophobicContact CZ-CG1 4.45Å
879K94.3Very high90.2Very high2 Ų239.8 Ų39.81%0.00922%0.222CC..EExtended strand (participates in β ladder)trans-125.4131.1177.8-63.2-174.8-179170.60110.3R80 L81 D83 F693 V866 M867 V877R80-K879 PolarHBondContact O-NZ 3.21Å; L81-K879 WeakPolarHBondContact O-CE 3.39Å; L81-K879 PolarHBondContact O-NZ 2.94Å; D83-K879 IonicContact OD1-NZ 2.96Å; D83-K879 PolarHBondContact OD1-NZ 3.13Å; D83-K879 WeakPolarHBondContact OD2-CE 3.48Å; D83-K879 IonicContact OD2-NZ 3.42Å; D83-K879 PolarHBondContact OD2-NZ 3.39Å; F693-K879 HydrophobicContact CD1-CB 4.03Å; F693-K879 HydrophobicContact CE1-CB 4.24Å; V866-K879 CarbonylContact C-O 3.55Å; V866-K879 WeakPolarHBondContact CA-O 3.25Å; M867-K879 HydrophobicContact CE-CB 4.17Å; M867-K879 HydrophobicContact CE-CD 3.6Å; M867-K879 HydrophobicContact CE-CG 4.08Å; M867-K879 PolarHBondContact N-O 3.18Å; M867-K879 PolarHBondContact O-N 2.76Å; V877-K879 HydrophobicContact CG1-CG 4.1Å
880I94.9Very high90.5Very high0 Ų042.2 Ų42.20%024%0.235CC..EExtended strand (participates in β ladder)trans-115.4130.2173.7-57.4176000108R762 S763 V802 L815 I816 V863 K865 V866 L882R762-I880 WeakPolarHBondContact CA-O 3.42Å; S763-I880 PolarHBondContact N-O 3.25Å; S763-I880 PolarHBondContact O-N 2.93Å; S763-I880 VanDerWaalsContact O-O 3.11Å; V802-I880 HydrophobicContact CG1-CD1 3.73Å; V802-I880 HydrophobicContact CG1-CG1 4.07Å; L815-I880 HydrophobicContact CB-CD1 3.88Å; L815-I880 WeakPolarHBondContact O-CD1 3.44Å; I816-I880 HydrophobicContact CD1-CD1 3.9Å; I816-I880 HydrophobicContact CD1-CG1 4.21Å; I816-I880 HydrophobicContact CG1-CD1 3.42Å; I816-I880 VanDerWaalsContact CG1-CD1 3.42Å; I816-I880 HydrophobicContact CG1-CG1 4.22Å; V863-I880 HydrophobicContact CG1-CG2 3.78Å; V863-I880 HydrophobicContact CG2-CG2 4.26Å; K865-I880 WeakPolarHBondContact O-CA 3.45Å; V866-I880 HydrophobicContact CG2-CG1 4.3Å; I880-L882 HydrophobicContact CG2-CD2 3.93Å; I880-L882 HydrophobicContact CG2-CG 4.42Å
881L95.8Very high90.8Very high3 Ų340.4 Ų40.42%0.01623%0.229CC..EExtended strand (participates in β ladder)trans-101.3117.4171-167.370.1000109.4F693 Y760 R762 E864 K865F693-L881 HydrophobicContact CD1-CB 4.05Å; F693-L881 HydrophobicContact CE1-CB 3.9Å; Y760-L881 HydrophobicContact CD1-CD2 3.67Å; Y760-L881 HydrophobicContact CD1-CG 3.96Å; Y760-L881 HydrophobicContact CE1-CD2 4.29Å; Y760-L881 HydrophobicContact CG-CD2 4.42Å; R762-L881 HydrophobicContact CB-CD1 4.35Å; E864-L881 WeakPolarHBondContact CB-O 3.39Å; E864-L881 PolarHBondContact N-O 3.27Å; K865-L881 HydrophobicContact CB-CB 4.28Å; K865-L881 PolarHBondContact N-O 3.27Å; K865-L881 PolarHBondContact O-N 2.8Å
882L95.6Very high91.4Very high3 Ų339.7 Ų39.72%0.01622%0.224CC..EExtended strand (participates in β ladder)trans-95.7137.4176.2-58.1174.2000109.6Y760 R761 L815 Y855 Y862 V863 I880Y760-L882 CarbonylContact C-O 3.56Å; Y760-L882 WeakPolarHBondContact CA-O 3.35Å; R761-L882 PolarHBondContact N-O 3.34Å; R761-L882 PolarHBondContact O-N 3.28Å; L815-L882 HydrophobicContact CD1-CD1 3.84Å; L815-L882 HydrophobicContact CD1-CD2 4.39Å; L815-L882 HydrophobicContact CD2-CD2 3.91Å; Y855-L882 HydrophobicContact CD2-CD1 3.65Å; Y855-L882 HydrophobicContact CE2-CD1 3.98Å; Y862-L882 CarbonylContact O-C 3.47Å; Y862-L882 VanDerWaalsContact O-CA 3.31Å; Y862-L882 WeakPolarHBondContact O-CA 3.38Å; V863-L882 HydrophobicContact CG2-CD2 3.85Å; I880-L882 HydrophobicContact CG2-CD2 3.93Å; I880-L882 HydrophobicContact CG2-CG 4.42Å
883R95.7Very high92.4Very high79 Ų7938.6 Ų38.630%0.29822%0.218SC..EExtended strand (participates in β ladder)trans-117.3134176.1-176.3-174.666.8-164.22.2110.7C758 Y760 Y862 E864C758-R883 HydrophobicContact CB-CG 4.41Å; Y760-R883 HydrophobicContact CD1-CB 3.88Å; Y760-R883 HydrophobicContact CD1-CG 4.07Å; Y760-R883 HydrophobicContact CE1-CB 3.71Å; Y760-R883 HydrophobicContact CE1-CG 3.62Å; Y760-R883 HydrophobicContact CE2-CG 4.37Å; Y760-R883 WeakPolarHBondContact OH-CD 3.26Å; Y862-R883 PolarHBondContact N-O 3.16Å; Y862-R883 PolarHBondContact O-N 3.47Å; E864-R883 HydrophobicContact CB-CB 4.37Å; E864-R883 VanDerWaalsContact CD-NH1 3.3Å; E864-R883 IonicContact OE1-CZ 3.67Å; E864-R883 IonicContact OE1-NH1 2.75Å; E864-R883 PolarHBondContact OE1-NH1 3.15Å; E864-R883 WeakPolarHBondContact OE2-CB 3.28Å; E864-R883 WeakPolarHBondContact OE2-CD 3.36Å; E864-R883 IonicContact OE2-CZ 3.98Å; E864-R883 IonicContact OE2-NE 3.05Å; E864-R883 PolarHBondContact OE2-NE 3.22Å; E864-R883 IonicContact OE2-NH1 2.99Å; E864-R883 PolarHBondContact OE2-NH1 3.02Å; E864-R883 IonicContact OE2-NH2 2.8Å
884Q95.1Very high93.4Very high9 Ų935.3 Ų35.34%0.04218%0.183CC..EExtended strand (participates in β ladder)trans-121.1125.4166.9-62.4-170.4-50.300110.1C758 V759 Y855 E859 P860 S861 R886C758-Q884 CarbonylContact C-O 3.51Å; C758-Q884 WeakPolarHBondContact CA-O 3.43Å; V759-Q884 PolarHBondContact N-O 2.81Å; V759-Q884 PolarHBondContact O-N 2.73Å; Y855-Q884 PolarHBondContact OH-NE2 2.96Å; E859-Q884 PolarHBondContact O-NE2 3.09Å; P860-Q884 PolarHBondContact O-NE2 3.15Å; P860-Q884 VanDerWaalsContact O-NE2 3.15Å; S861-Q884 VanDerWaalsContact OG-CD 3.28Å; S861-Q884 WeakPolarHBondContact OG-CG 3.22Å; S861-Q884 PolarHBondContact OG-NE2 2.97Å; S861-Q884 VanDerWaalsContact OG-NE2 3.09Å; Q884-R886 HydrophobicContact CB-CG 4.36Å
885T95Very high94.2Very high63 Ų6329.6 Ų29.639%0.38715%0.153SC..EExtended strand (participates in β ladder)trans-94.8105.8175.9-57.10000109.7R756R756-T885 HydrophobicContact CG-CG2 4.02Å
886R94.6Very high94.7Very high6 Ų626.6 Ų26.62%0.02314%0.139CC..EExtended strand (participates in β ladder)trans-101.5121-171.1-63.1-172.1-178.3179.4-3.2112.5R756 A757 V759 Q884 R1008 M1012 M1014 D1015R756-R886 WeakPolarHBondContact CD-O 3.29Å; A757-R886 PolarHBondContact N-O 3.25Å; A757-R886 PolarHBondContact O-N 3.28Å; V759-R886 HydrophobicContact CG2-CG 4.31Å; Q884-R886 HydrophobicContact CB-CG 4.36Å; R886-R1008 PolarHBondContact O-NH1 2.96Å; R886-M1012 HydrophobicContact CB-SD 4.34Å; R886-M1012 VanDerWaalsContact CD-SD 3.52Å; R886-M1012 VanDerWaalsContact NH1-CE 3.25Å; R886-M1012 PolarHBondContact NH1-SD 3.12Å; R886-M1014 HydrophobicContact CG-SD 4.49Å; R886-D1015 IonicContact CZ-OD1 3.31Å; R886-D1015 IonicContact CZ-OD2 3.54Å; R886-D1015 IonicContact NH1-OD1 2.92Å; R886-D1015 PolarHBondContact NH1-OD1 2.71Å; R886-D1015 VanDerWaalsContact NH1-OD1 3.1Å; R886-D1015 IonicContact NH1-OD2 3.89Å; R886-D1015 PolarHBondContact NH1-OD2 3.17Å; R886-D1015 IonicContact NH2-OD1 3.42Å; R886-D1015 PolarHBondContact NH2-OD1 3.05Å; R886-D1015 IonicContact NH2-OD2 3.45Å
887R94.9Very high95Very high112 Ų11224.8 Ų24.842%0.42312%0.123SC..PPolyproline II helixtrans-70146.9167.6-63.9-171.363.9168-3.5109.8D751 E889 R1008D751-R887 IonicContact OD1-CZ 3.17Å; D751-R887 IonicContact OD1-NH1 3.31Å; D751-R887 IonicContact OD1-NH2 2.95Å; D751-R887 PolarHBondContact OD1-NH2 3Å; R887-E889 PolarHBondContact O-N 2.99Å; R887-R1008 PolarHBondContact O-NH2 2.97Å
888P96Very high95.2Very high5 Ų524.7 Ų24.73%0.03212%0.123CC..PPolyproline II helixtrans-57.3131.7159.2-23.733.2000110.3I750 F754 A755 F894I750-P888 HydrophobicContact CD1-CB 4.27Å; I750-P888 HydrophobicContact CG1-CB 4.36Å; I750-P888 HydrophobicContact CG1-CG 4.48Å; I750-P888 HydrophobicContact CG2-CG 4.45Å; F754-P888 WeakPolarHBondContact O-CG 3.36Å; A755-P888 HydrophobicContact CB-CG 3.9Å; P888-F894 HydrophobicContact CB-CE2 4.46Å; P888-F894 HydrophobicContact CB-CZ 4.13Å; P888-F894 HydrophobicContact CG-CZ 4.32Å
889E94.7Very high95.1Very high63 Ų6324.6 Ų24.629%0.29412%0.122SC..  trans-132.1166.9177.662.8-17716700110.7R887 G891 D892 V1013R887-E889 PolarHBondContact O-N 2.99Å; E889-G891 PolarHBondContact O-N 2.91Å; E889-D892 PolarHBondContact N-OD2 3.06Å; E889-D892 WeakPolarHBondContact O-CB 3.2Å; E889-D892 PolarHBondContact O-N 3.29Å; E889-D892 VanDerWaalsContact O-N 3.16Å; E889-V1013 HydrophobicContact CG-CG1 3.55Å; E889-V1013 WeakPolarHBondContact OE1-CG1 3.42Å
890V96.4Very high95Very high80 Ų8024.8 Ų24.849%0.48512%0.123SC..THydrogen-bonded Turntrans-59.7129.3176.1174.90000109.2I907 V1013V890-I907 HydrophobicContact CG2-CD1 4.12Å; V890-I907 HydrophobicContact CG2-CG1 4.16Å; V890-V1013 WeakPolarHBondContact O-CG1 3.24Å
891G94.7Very high94.9Very high24 Ų2429.8 Ų29.825%0.24715%0.145CC..THydrogen-bonded Turntrans99.8-12.3-175.200000115.3E889 V903 V904E889-G891 PolarHBondContact O-N 2.91Å; G891-V903 VanDerWaalsContact CA-CG1 3.41Å; G891-V904 PolarHBondContact N-O 2.59Å
892D96.1Very high94.8Very high1 Ų129.9 Ų29.91%0.00515%0.146CC..  trans-69.8148.6173.7-84.2-5.1000112.3E889 F894 V903 V904 R1008 M1012 V1013E889-D892 PolarHBondContact N-OD2 3.06Å; E889-D892 WeakPolarHBondContact O-CB 3.2Å; E889-D892 PolarHBondContact O-N 3.29Å; E889-D892 VanDerWaalsContact O-N 3.16Å; D892-F894 HydrophobicContact CB-CE2 4.28Å; D892-V903 CarbonylContact O-C 3.43Å; D892-V903 WeakPolarHBondContact O-CA 3.46Å; D892-V904 HydrophobicContact CB-CG2 4.25Å; D892-V904 PolarHBondContact O-N 2.93Å; D892-R1008 IonicContact OD2-CZ 2.74Å; D892-R1008 IonicContact OD2-NE 2.73Å; D892-R1008 IonicContact OD2-NH2 3.94Å; D892-R1008 PolarHBondContact OD2-NH2 3.41Å; D892-M1012 WeakPolarHBondContact OD1-CA 3.2Å; D892-M1012 WeakPolarHBondContact OD1-CB 3.44Å; D892-V1013 PolarHBondContact OD1-N 2.87Å
893K96.1Very high94.8Very high63 Ų6332.3 Ų32.327%0.27416%0.162SC..EExtended strand (participates in β ladder)trans-98.8131.1-178.7-65.6-163176.8-164.60112.8V903 L1009 H1011K893-V903 HydrophobicContact CG-CG2 4.16Å; K893-L1009 HydrophobicContact CB-CB 4.19Å; K893-L1009 HydrophobicContact CB-CD1 4.17Å; K893-L1009 PolarHBondContact O-N 2.91Å; K893-H1011 HydrophobicContact CB-CB 4.39Å; K893-H1011 HydrophobicContact CD-CB 3.99Å; K893-H1011 HydrophobicContact CG-CB 4.29Å; K893-H1011 PolarHBondContact N-O 2.87Å
894F96.3Very high94.9Very high2 Ų228.7 Ų28.71%0.00915%0.148CC..EExtended strand (participates in β ladder)trans-118.4157.6170.6-73.2-99.6000110.2L743 I745 F754 A755 P888 D892 K901 G902 V904 Y1006 Q1007 R1008L743-F894 HydrophobicContact CD1-CB 3.8Å; I745-F894 HydrophobicContact CD1-CD2 4.23Å; I745-F894 HydrophobicContact CD1-CE2 3.84Å; I745-F894 HydrophobicContact CD1-CZ 4.1Å; F754-F894 HydrophobicContact CE1-CE1 4.3Å; A755-F894 HydrophobicContact CB-CE1 3.61Å; A755-F894 HydrophobicContact CB-CZ 3.85Å; P888-F894 HydrophobicContact CB-CE2 4.46Å; P888-F894 HydrophobicContact CB-CZ 4.13Å; P888-F894 HydrophobicContact CG-CZ 4.32Å; D892-F894 HydrophobicContact CB-CE2 4.28Å; F894-K901 WeakPolarHBondContact O-CA 3.29Å; F894-G902 PolarHBondContact N-O 2.87Å; F894-G902 PolarHBondContact O-N 3.49Å; F894-V904 HydrophobicContact CD2-CG2 3.67Å; F894-V904 HydrophobicContact CE2-CG2 3.5Å; F894-V904 VanDerWaalsContact CE2-CG2 3.5Å; F894-Y1006 HydrophobicContact CB-CD1 4.23Å; F894-Q1007 CarbonylContact C-O 3.51Å; F894-Q1007 WeakPolarHBondContact CA-O 3.35Å; F894-R1008 HydrophobicContact CD1-CB 4.23Å; F894-R1008 HydrophobicContact CE1-CB 3.89Å; F894-R1008 HydrophobicContact CE1-CG 4.11Å; F894-R1008 HydrophobicContact CZ-CB 4.35Å; F894-R1008 HydrophobicContact CZ-CG 4.05Å
895S95.2Very high94.9Very high0 Ų029.3 Ų29.30%016%0.157CC..EExtended strand (participates in β ladder)trans-136.3140.1171.9-168.80000109.4Q674 M677 Q900 Q1007Q674-S895 PolarHBondContact OE1-OG 3.13Å; M677-S895 PolarHBondContact SD-OG 3.49Å; M677-S895 VanDerWaalsContact SD-OG 3.36Å; S895-Q900 WeakPolarHBondContact CA-O 3.35Å; S895-Q1007 PolarHBondContact N-O 2.81Å; S895-Q1007 PolarHBondContact O-N 2.87Å
896S93.4Very high95Very high0 Ų028.6 Ų28.60%015%0.151CC..EExtended strand (participates in β ladder)trans-76.9170.7156.873.10000109.9Q674 H898 Q900Q674-S896 PolarHBondContact OE1-O 3.15Å; S896-H898 PolarHBondContact O-N 3.01Å; S896-H898 PolarHBondContact OG-N 3.27Å; S896-Q900 PolarHBondContact N-O 2.79Å
897R94.9Very high95.1Very high1 Ų130.7 Ų30.70%0.00416%0.162CC..THydrogen-bonded Turntrans-70.912.7172.2-73.9167.260.8-158.45.5115L659 P661 Q674 V708 E942 Y1005L659-R897 PolarHBondContact O-NE 3.36Å; L659-R897 PolarHBondContact O-NH2 3.46Å; P661-R897 VanDerWaalsContact CD-CZ 3.43Å; Q674-R897 VanDerWaalsContact CG-O 3.3Å; Q674-R897 WeakPolarHBondContact CG-O 3.03Å; V708-R897 PolarHBondContact O-NH1 2.75Å; V708-R897 PolarHBondContact O-NH2 3.06Å; R897-E942 IonicContact CZ-OE1 3.26Å; R897-E942 IonicContact NE-OE1 2.96Å; R897-E942 IonicContact NH1-OE1 3.45Å; R897-E942 PolarHBondContact NH1-OE1 3.44Å; R897-Y1005 VanDerWaalsContact CD-CD1 3.46Å; R897-Y1005 HydrophobicContact CG-CD1 3.95Å
898H96.2Very high95.2Very high0 Ų025.9 Ų25.90%015%0.145CC..THydrogen-bonded Turntrans-123.321.6-173.6-64.6-88.7000113.4P661 N666 S896 Q900 T936 G938 K939 E942P661-H898 WeakPolarHBondContact CG-NE2 3.36Å; P661-H898 PolarHBondContact O-CE1 2.73Å; N666-H898 PolarHBondContact ND2-ND1 3.49Å; N666-H898 PolarHBondContact OD1-ND1 2.79Å; S896-H898 PolarHBondContact O-N 3.01Å; S896-H898 PolarHBondContact OG-N 3.27Å; H898-Q900 PolarHBondContact O-N 3.37Å; H898-T936 HydrophobicContact CB-CG2 4.45Å; H898-G938 PolarHBondContact CE1-O 3.13Å; H898-K939 HydrophobicContact CB-CB 4.24Å; H898-K939 PolarHBondContact CE1-N 3.32Å; H898-K939 VanDerWaalsContact CE1-N 3.27Å; H898-K939 PolarHBondContact ND1-N 3.07Å; H898-K939 WeakPolarHBondContact NE2-CA 3.35Å; H898-E942 IonicContact CD2-OE2 3.86Å; H898-E942 PolarHBondContact CD2-OE2 3.11Å; H898-E942 IonicContact NE2-OE2 2.82Å; H898-E942 PolarHBondContact NE2-OE2 3.09Å; H898-E942 VanDerWaalsContact NE2-OE2 3.17Å
899G92.4Very high95.2Very high0 Ų031.5 Ų31.50%017%0.166CC..SBendtrans66.324.9179.700000113.5R670R670-G899 PolarHBondContact NH1-O 2.99Å
900Q91.9Very high95.3Very high7 Ų731.5 Ų31.53%0.03317%0.165CC..  trans-98.790.1170-61-177.7-10.300108.4S895 S896 H898 M926 T936S895-Q900 WeakPolarHBondContact CA-O 3.35Å; S896-Q900 PolarHBondContact N-O 2.79Å; H898-Q900 PolarHBondContact O-N 3.37Å; Q900-M926 PolarHBondContact OE1-SD 2.96Å; Q900-T936 HydrophobicContact CG-CG2 4.45Å; Q900-T936 PolarHBondContact NE2-OG1 3.4Å
901K92.4Very high95.2Very high104 Ų10433.5 Ų33.545%0.45217%0.169SC..EExtended strand (participates in β ladder)trans-72.5138.5168.860.1-178.7-179.5-168.90109M677 D741 F894M677-K901 HydrophobicContact CE-CB 3.75Å; M677-K901 HydrophobicContact CE-CD 3.78Å; M677-K901 HydrophobicContact CE-CG 3.95Å; M677-K901 HydrophobicContact SD-CB 4.11Å; D741-K901 WeakPolarHBondContact CB-O 3.33Å; F894-K901 WeakPolarHBondContact O-CA 3.29Å
902G93.2Very high95.2Very high5 Ų534.3 Ų34.35%0.05217%0.168CC..EExtended strand (participates in β ladder)trans-140.5147.3172.100000110.8D741 F894D741-G902 WeakPolarHBondContact O-CA 3.22Å; F894-G902 PolarHBondContact N-O 2.87Å; F894-G902 PolarHBondContact O-N 3.49Å
903V96.3Very high95.2Very high55 Ų5534.3 Ų34.333%0.33317%0.168SC..EExtended strand (participates in β ladder)trans-98.1143.9172.7179.50000107.8A742 L743 G891 D892 K893 G905A742-V903 CarbonylContact C-O 3.45Å; A742-V903 WeakPolarHBondContact CA-O 3.41Å; L743-V903 PolarHBondContact N-O 3.31Å; G891-V903 VanDerWaalsContact CA-CG1 3.41Å; D892-V903 CarbonylContact O-C 3.43Å; D892-V903 WeakPolarHBondContact O-CA 3.46Å; K893-V903 HydrophobicContact CG-CG2 4.16Å; V903-G905 PolarHBondContact O-N 2.74Å; V903-G905 VanDerWaalsContact O-N 3.08Å
904V96.8Very high95.2Very high2 Ų231.4 Ų31.41%0.01216%0.156CC..EExtended strand (participates in β ladder)trans-64.4110.9170.7-174.10000108.9I745 G891 D892 F894 I907I745-V904 HydrophobicContact CB-CG1 4.49Å; I745-V904 HydrophobicContact CD1-CB 4.35Å; I745-V904 HydrophobicContact CD1-CG1 4.05Å; I745-V904 HydrophobicContact CD1-CG2 3.45Å; I745-V904 VanDerWaalsContact CD1-CG2 3.45Å; I745-V904 HydrophobicContact CG1-CG1 4.13Å; I745-V904 HydrophobicContact CG1-CG2 4.31Å; G891-V904 PolarHBondContact N-O 2.59Å; D892-V904 HydrophobicContact CB-CG2 4.25Å; D892-V904 PolarHBondContact O-N 2.93Å; F894-V904 HydrophobicContact CD2-CG2 3.67Å; F894-V904 HydrophobicContact CE2-CG2 3.5Å; F894-V904 VanDerWaalsContact CE2-CG2 3.5Å; V904-I907 HydrophobicContact CG1-CD1 4.44Å; V904-I907 HydrophobicContact CG1-CG1 3.89Å
905G95.8Very high95.2Very high23 Ų2335 Ų3524%0.23717%0.171CC..EExtended strand (participates in β ladder)trans-89.4-40.2-179.600000112.7L743 V903L743-G905 PolarHBondContact O-N 3.38Å; V903-G905 PolarHBondContact O-N 2.74Å; V903-G905 VanDerWaalsContact O-N 3.08Å
906L96.5Very high95.1Very high47 Ų4735 Ų3525%0.24617%0.172CC..EExtended strand (participates in β ladder)trans-146.1146.3178-173.566.2000110.8Y737 V744 I745 V908Y737-L906 HydrophobicContact CD1-CB 4.35Å; Y737-L906 HydrophobicContact CD2-CD2 3.79Å; Y737-L906 HydrophobicContact CE2-CD2 4.35Å; Y737-L906 HydrophobicContact CG-CB 3.98Å; Y737-L906 HydrophobicContact CG-CD2 4.02Å; Y737-L906 HydrophobicContact CG-CG 4.42Å; V744-L906 WeakPolarHBondContact CA-O 3.17Å; V744-L906 HydrophobicContact CG1-CB 4.37Å; V744-L906 HydrophobicContact CG2-CB 4.26Å; I745-L906 PolarHBondContact N-O 3.48Å; L906-V908 HydrophobicContact CB-CG2 4.44Å; L906-V908 HydrophobicContact CD2-CG2 3.43Å; L906-V908 VanDerWaalsContact CD2-CG2 3.43Å; L906-V908 HydrophobicContact CG-CG2 3.64Å
907I97.2Very high95.1Very high50 Ų5039.4 Ų39.426%0.25620%0.199SC..EExtended strand (participates in β ladder)trans-110.8121.1169.7-64.2172.3000107I745 Q747 I750 V890 V904I745-I907 WeakPolarHBondContact O-CA 3.49Å; Q747-I907 HydrophobicContact CB-CG2 3.65Å; Q747-I907 HydrophobicContact CG-CG2 4Å; I750-I907 HydrophobicContact CD1-CD1 3.88Å; I750-I907 HydrophobicContact CD1-CG1 4.06Å; I750-I907 HydrophobicContact CD1-CG2 3.98Å; V890-I907 HydrophobicContact CG2-CD1 4.12Å; V890-I907 HydrophobicContact CG2-CG1 4.16Å; V904-I907 HydrophobicContact CG1-CD1 4.44Å; V904-I907 HydrophobicContact CG1-CG1 3.89Å
908V96.4Very high94.8Very high12 Ų1244.2 Ų44.27%0.07322%0.224CC..EExtended strand (participates in β ladder)trans-117.7142.3-171.1-179.90000110Y734 V744 I745 Q747 L906 D912 L913Y734-V908 HydrophobicContact CE1-CG1 4.36Å; Y734-V908 HydrophobicContact CE1-CG2 4.22Å; V744-V908 HydrophobicContact CG1-CB 4.18Å; V744-V908 HydrophobicContact CG1-CG2 3.43Å; V744-V908 VanDerWaalsContact CG1-CG2 3.43Å; I745-V908 PolarHBondContact O-N 3.26Å; Q747-V908 WeakPolarHBondContact CB-O 3.47Å; Q747-V908 PolarHBondContact N-O 2.94Å; L906-V908 HydrophobicContact CB-CG2 4.44Å; L906-V908 HydrophobicContact CD2-CG2 3.43Å; L906-V908 VanDerWaalsContact CD2-CG2 3.43Å; L906-V908 HydrophobicContact CG-CG2 3.64Å; V908-D912 HydrophobicContact CG1-CB 3.69Å; V908-L913 HydrophobicContact CB-CD2 4.09Å; V908-L913 HydrophobicContact CB-CG 4.41Å; V908-L913 HydrophobicContact CG1-CD2 3.98Å; V908-L913 HydrophobicContact CG1-CG 4.07Å
909R97Very high94.5Very high123 Ų12346.5 Ų46.546%0.46425%0.248SC..  trans-64.9150.8176-64.2178.6-61.4168.70.9110.6E911 D912R909-E911 VanDerWaalsContact C-N 3.25Å; R909-E911 HydrophobicContact CB-CG 4.13Å; R909-E911 IonicContact CZ-OE1 2.86Å; R909-E911 IonicContact NE-OE1 3.5Å; R909-E911 PolarHBondContact NE-OE1 2.85Å; R909-E911 IonicContact NH1-OE1 3.95Å; R909-E911 PolarHBondContact NH1-OE1 3.16Å; R909-E911 IonicContact NH2-OE1 2.73Å; R909-E911 PolarHBondContact NH2-OE1 3.36Å; R909-E911 PolarHBondContact O-N 2.98Å; R909-D912 IonicContact CZ-OD2 2.63Å; R909-D912 IonicContact NE-OD2 3.62Å; R909-D912 PolarHBondContact NE-OD2 3.49Å; R909-D912 IonicContact NH2-OD1 3.73Å; R909-D912 PolarHBondContact NH2-OD1 2.8Å; R909-D912 IonicContact NH2-OD2 3.51Å; R909-D912 PolarHBondContact NH2-OD2 2.93Å; R909-D912 PolarHBondContact O-N 2.94Å
910Q96.1Very high94.6Very high62 Ų6250.6 Ų50.629%0.2927%0.27SS..G310 helixtrans-61.1-33.7-176.8-174.1173.17.800113.5A748 R752 D912 L913 T921A748-Q910 HydrophobicContact CB-CB 3.71Å; A748-Q910 HydrophobicContact CB-CG 4.41Å; R752-Q910 VanDerWaalsContact NH1-OE1 3.11Å; Q910-D912 VanDerWaalsContact C-N 3.32Å; Q910-D912 PolarHBondContact O-N 3.39Å; Q910-L913 PolarHBondContact O-N 3.21Å; Q910-T921 HydrophobicContact CG-CG2 3.96Å; Q910-T921 PolarHBondContact NE2-OG1 3.3Å
911E94.9Very high94.8Very high122 Ų12251.4 Ų51.457%0.5728%0.275SS*.G310 helixtrans-67.4-29.5-18062.7-165.917600113.6R909 L913 G989R909-E911 VanDerWaalsContact C-N 3.25Å; R909-E911 HydrophobicContact CB-CG 4.13Å; R909-E911 IonicContact CZ-OE1 2.86Å; R909-E911 IonicContact NE-OE1 3.5Å; R909-E911 PolarHBondContact NE-OE1 2.85Å; R909-E911 IonicContact NH1-OE1 3.95Å; R909-E911 PolarHBondContact NH1-OE1 3.16Å; R909-E911 IonicContact NH2-OE1 2.73Å; R909-E911 PolarHBondContact NH2-OE1 3.36Å; R909-E911 PolarHBondContact O-N 2.98Å; E911-L913 VanDerWaalsContact C-N 3.33Å; E911-G989 CarbonylContact O-C 3.57Å; E911-G989 VanDerWaalsContact O-CA 3.3Å; E911-G989 WeakPolarHBondContact O-CA 3.45Å
912D95.2Very high95Very high41 Ų4146.5 Ų46.522%0.21925%0.254CS..G310 helixtrans-83.7-14.6-178.6-60.8-41.3000111.6Y734 V908 R909 Q910Y734-D912 PolarHBondContact OH-O 3.37Å; V908-D912 HydrophobicContact CG1-CB 3.69Å; R909-D912 IonicContact CZ-OD2 2.63Å; R909-D912 IonicContact NE-OD2 3.62Å; R909-D912 PolarHBondContact NE-OD2 3.49Å; R909-D912 IonicContact NH2-OD1 3.73Å; R909-D912 PolarHBondContact NH2-OD1 2.8Å; R909-D912 IonicContact NH2-OD2 3.51Å; R909-D912 PolarHBondContact NH2-OD2 2.93Å; R909-D912 PolarHBondContact O-N 2.94Å; Q910-D912 VanDerWaalsContact C-N 3.32Å; Q910-D912 PolarHBondContact O-N 3.39Å
913L95.8Very high95.2Very high2 Ų247.7 Ų47.71%0.0126%0.259CS..SBendtrans-80.2150.5-178.4-70.4173.1000112.2N746 V908 Q910 E911 P922 I925 G989N746-L913 HydrophobicContact CB-CD1 3.45Å; N746-L913 VanDerWaalsContact CB-CD1 3.45Å; N746-L913 WeakPolarHBondContact ND2-CD1 3.35Å; V908-L913 HydrophobicContact CB-CD2 4.09Å; V908-L913 HydrophobicContact CB-CG 4.41Å; V908-L913 HydrophobicContact CG1-CD2 3.98Å; V908-L913 HydrophobicContact CG1-CG 4.07Å; Q910-L913 PolarHBondContact O-N 3.21Å; E911-L913 VanDerWaalsContact C-N 3.33Å; L913-P922 HydrophobicContact CB-CG 4.47Å; L913-I925 HydrophobicContact CD2-CD1 3.65Å; L913-I925 HydrophobicContact CD2-CG1 4.45Å; L913-G989 WeakPolarHBondContact O-CA 3.47Å
914P96.4Very high95.2Very high2 Ų245 Ų451%0.01324%0.243CC..  trans-66.6143.517528.9-34.4000111.2M732 P922 I925 L986 Y987 L995M732-P914 HydrophobicContact SD-CB 4.46Å; M732-P914 HydrophobicContact SD-CG 3.73Å; P914-P922 HydrophobicContact CG-CG 4.24Å; P914-P922 WeakPolarHBondContact O-CD 3.23Å; P914-I925 HydrophobicContact CG-CD1 4.43Å; P914-L986 HydrophobicContact CB-CB 4.14Å; P914-L986 HydrophobicContact CB-CD1 4.2Å; P914-L986 HydrophobicContact CG-CD1 4.39Å; P914-Y987 CarbonylContact C-O 3.5Å; P914-Y987 WeakPolarHBondContact CA-O 3.25Å; P914-Y987 WeakPolarHBondContact CB-O 3.25Å; P914-L995 HydrophobicContact CB-CD1 4.38Å
915F95.9Very high95.2Very high76 Ų7645 Ų4533%0.33324%0.243SC..EExtended strand (participates in β ladder)trans-125147-179.663.2-85.8000111.5L920 T921 L986 Y987F915-L920 CarbonylContact C-O 3.56Å; F915-L920 WeakPolarHBondContact CA-O 3.48Å; F915-T921 HydrophobicContact CB-CG2 3.94Å; F915-L986 CarbonylContact O-C 3.49Å; F915-L986 WeakPolarHBondContact O-CA 2.77Å; F915-Y987 HydrophobicContact CD2-CD2 4.42Å; F915-Y987 HydrophobicContact CE2-CD2 4Å; F915-Y987 HydrophobicContact CE2-CG 4.06Å; F915-Y987 VanDerWaalsContact CZ-CB 3.43Å; F915-Y987 HydrophobicContact CZ-CD2 4.46Å; F915-Y987 HydrophobicContact CZ-CG 4.06Å; F915-Y987 PolarHBondContact N-O 2.57Å; F915-Y987 PolarHBondContact O-N 2.7Å
916S93.5Very high95.2Very high1 Ų144.4 Ų44.41%0.00723%0.234CC..EExtended strand (participates in β ladder)trans-77.9170.517675.10000112.2N918 G919 L920 E984S916-N918 PolarHBondContact O-N 3.07Å; S916-N918 PolarHBondContact OG-N 2.96Å; S916-G919 PolarHBondContact O-N 3.09Å; S916-L920 PolarHBondContact N-O 3.14Å; S916-L920 WeakPolarHBondContact OG-CB 3.29Å; S916-L920 PolarHBondContact OG-N 3.2Å; S916-E984 VanDerWaalsContact CB-OE2 3.25Å; S916-E984 WeakPolarHBondContact CB-OE2 3Å
917T91.5Very high95.1Very high92 Ų9242.9 Ų42.956%0.56423%0.226SC*.THydrogen-bonded Turntrans-53.8-26.5171.8520000113.2Y987T917-Y987 HydrophobicContact CG2-CE2 3.94Å
918N88.8Confident95Very high102 Ų10242.8 Ų42.855%0.54523%0.229SC..THydrogen-bonded Turntrans-91.62.8179.6-57.9-9.4000112.7S916 Y978S916-N918 PolarHBondContact O-N 3.07Å; S916-N918 PolarHBondContact OG-N 2.96Å; N918-Y978 PolarHBondContact ND2-OH 2.84Å
919G91.6Very high94.9Very high49 Ų4949.2 Ų49.251%0.50526%0.258SS..  trans8111.4-178.900000115S916 T921S916-G919 PolarHBondContact O-N 3.09Å; G919-T921 PolarHBondContact O-N 3.39Å
920L93.6Very high94.7Very high85 Ų8543.9 Ų43.945%0.44524%0.241SC..PPolyproline II helixtrans-76.6125176.7-65.4173.9000110.4F915 S916 F1001F915-L920 CarbonylContact C-O 3.56Å; F915-L920 WeakPolarHBondContact CA-O 3.48Å; S916-L920 PolarHBondContact N-O 3.14Å; S916-L920 WeakPolarHBondContact OG-CB 3.29Å; S916-L920 PolarHBondContact OG-N 3.2Å; L920-F1001 HydrophobicContact CB-CE1 3.89Å; L920-F1001 HydrophobicContact CB-CZ 3.97Å; L920-F1001 HydrophobicContact CD1-CE1 4.26Å
921T95.8Very high94.5Very high25 Ų2542 Ų4215%0.15323%0.232CC..PPolyproline II helixtrans-101.8145172.154.40000110.3Q910 F915 G919Q910-T921 HydrophobicContact CG-CG2 3.96Å; Q910-T921 PolarHBondContact NE2-OG1 3.3Å; F915-T921 HydrophobicContact CB-CG2 3.94Å; G919-T921 PolarHBondContact O-N 3.39Å
922P96.8Very high94.5Very high1 Ų141 Ų411%0.00624%0.236CC..PPolyproline II helixtrans-65.6147.8175.727.1-32.8000111.7A730 N746 L913 P914 I925 F1001A730-P922 HydrophobicContact CB-CB 3.84Å; A730-P922 HydrophobicContact CB-CG 4.13Å; N746-P922 WeakPolarHBondContact CB-O 3.45Å; N746-P922 PolarHBondContact ND2-O 2.68Å; L913-P922 HydrophobicContact CB-CG 4.47Å; P914-P922 HydrophobicContact CG-CG 4.24Å; P914-P922 WeakPolarHBondContact O-CD 3.23Å; P922-I925 HydrophobicContact CB-CG1 4.25Å; P922-I925 HydrophobicContact CG-CD1 4.29Å; P922-I925 HydrophobicContact CG-CG1 3.92Å; P922-F1001 HydrophobicContact CB-CE2 4.1Å
923D97Very high94.4Very high29 Ų2943.7 Ų43.716%0.15526%0.258CS..SBendtrans-83.2-38.2165.3-64.6-50.5000110.9A727 V728 I745 N746 S749A727-D923 HydrophobicContact CB-CB 4.13Å; V728-D923 PolarHBondContact N-OD2 3.26Å; V728-D923 PolarHBondContact O-N 3.02Å; I745-D923 WeakPolarHBondContact CA-O 3.25Å; N746-D923 PolarHBondContact N-O 3.03Å; S749-D923 VanDerWaalsContact CB-OD1 3.24Å; S749-D923 WeakPolarHBondContact CB-OD1 3.42Å; S749-D923 PolarHBondContact OG-OD1 2.85Å
924I96.7Very high94.3Very high0 Ų045.1 Ų45.10%026%0.263CS..EExtended strand (participates in β ladder)trans-132.8132.6179.4-60-179.2000109.1A727 V728 V729 A730 L743 V744 I745 F754 Y1006A727-I924 HydrophobicContact CB-CD1 3.94Å; A727-I924 HydrophobicContact CB-CG1 4.18Å; V728-I924 PolarHBondContact O-N 2.98Å; V729-I924 VanDerWaalsContact CA-O 3.29Å; V729-I924 WeakPolarHBondContact CA-O 3.26Å; V729-I924 HydrophobicContact CG2-CB 4.19Å; A730-I924 PolarHBondContact N-O 2.89Å; A730-I924 VanDerWaalsContact N-O 3.14Å; L743-I924 HydrophobicContact CB-CG2 4.22Å; L743-I924 HydrophobicContact CD1-CG2 4.49Å; L743-I924 HydrophobicContact CD2-CG2 4.02Å; L743-I924 HydrophobicContact CG-CG2 4.47Å; V744-I924 CarbonylContact O-C 3.38Å; V744-I924 WeakPolarHBondContact O-CA 3.47Å; I745-I924 HydrophobicContact CG1-CG1 4.32Å; F754-I924 HydrophobicContact CE1-CD1 4.1Å; F754-I924 HydrophobicContact CE1-CG1 4.27Å; F754-I924 HydrophobicContact CZ-CD1 3.84Å; F754-I924 HydrophobicContact CZ-CG1 4.21Å; I924-Y1006 HydrophobicContact CD1-CD1 3.81Å; I924-Y1006 HydrophobicContact CD1-CD2 4.15Å; I924-Y1006 HydrophobicContact CD1-CE1 4.13Å; I924-Y1006 HydrophobicContact CD1-CE2 4.46Å; I924-Y1006 HydrophobicContact CD1-CG 3.79Å
925I96.8Very high94.3Very high1 Ų149.7 Ų49.71%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-99.6131.5164.3-58.4175.8000108.4A730 M732 Y734 V744 L913 P914 P922A730-I925 HydrophobicContact CB-CG1 4.38Å; A730-I925 WeakPolarHBondContact O-CA 3.3Å; M732-I925 HydrophobicContact CG-CG2 3.73Å; M732-I925 VanDerWaalsContact O-CG2 3.31Å; M732-I925 WeakPolarHBondContact O-CG2 3.34Å; Y734-I925 HydrophobicContact CD1-CD1 3.92Å; Y734-I925 HydrophobicContact CD2-CD1 4.14Å; Y734-I925 HydrophobicContact CG-CD1 3.7Å; V744-I925 HydrophobicContact CB-CB 4.2Å; V744-I925 PolarHBondContact N-O 3.3Å; V744-I925 PolarHBondContact O-N 3.21Å; L913-I925 HydrophobicContact CD2-CD1 3.65Å; L913-I925 HydrophobicContact CD2-CG1 4.45Å; P914-I925 HydrophobicContact CG-CD1 4.43Å; P922-I925 HydrophobicContact CB-CG1 4.25Å; P922-I925 HydrophobicContact CG-CD1 4.29Å; P922-I925 HydrophobicContact CG-CG1 3.92Å
926M95.6Very high94.3Very high11 Ų1146.2 Ų46.25%0.05427%0.27CS..EExtended strand (participates in β ladder)trans-120132.2174.8-173.6-160.7164.600110.4V729 A730 I731 M732 L743 Q900 F931 K939V729-M926 HydrophobicContact CG1-CB 4.2Å; A730-M926 PolarHBondContact O-N 3.44Å; I731-M926 WeakPolarHBondContact CA-O 3.48Å; M732-M926 PolarHBondContact N-O 3.41Å; M732-M926 VanDerWaalsContact N-O 3.12Å; L743-M926 HydrophobicContact CD2-CB 4.21Å; L743-M926 HydrophobicContact CD2-CG 4.1Å; Q900-M926 PolarHBondContact OE1-SD 2.96Å; M926-F931 HydrophobicContact CE-CD2 4.41Å; M926-F931 HydrophobicContact CE-CE1 4.43Å; M926-F931 HydrophobicContact CE-CE2 3.66Å; M926-F931 HydrophobicContact CE-CZ 3.67Å; M926-F931 HydrophobicContact SD-CE2 3.75Å; M926-F931 HydrophobicContact SD-CZ 3.49Å; M926-F931 WeakPolarHBondContact SD-CZ 2.98Å; M926-K939 HydrophobicContact SD-CD 4.48Å; M926-K939 PolarHBondContact SD-NZ 3.24Å
927N95.1Very high94.4Very high14 Ų1449.5 Ų49.58%0.07529%0.29CS..  trans-66.7131.9176.9-168.8-34.8000112.7D738 H929D738-N927 HydrophobicContact CB-CB 4.11Å; D738-N927 WeakPolarHBondContact O-CB 3.47Å; D738-N927 PolarHBondContact O-ND2 3.45Å; N927-H929 VanDerWaalsContact C-N 3.27Å; N927-H929 PolarHBondContact O-N 3.04Å; N927-H929 WeakPolarHBondContact OD1-CB 3.43Å; N927-H929 PolarHBondContact OD1-CD2 3.42Å; N927-H929 PolarHBondContact OD1-N 2.91Å
928P95.2Very high94.6Very high48 Ų4845.1 Ų45.131%0.31226%0.263SS..THydrogen-bonded Turntrans-65.3-21.1177.425.4-35.6000114.9I731 M732 G930 F931 P932I731-P928 HydrophobicContact CG2-CB 3.98Å; M732-P928 VanDerWaalsContact C-CD 3.45Å; P928-G930 PolarHBondContact O-N 3.39Å; P928-F931 WeakPolarHBondContact O-CD2 3.37Å; P928-F931 PolarHBondContact O-N 3.48Å; P928-F931 VanDerWaalsContact O-N 3.1Å; P928-P932 WeakPolarHBondContact O-CD 3.34Å
929H94.6Very high94.9Very high147 Ų14740.3 Ų40.368%0.68124%0.238SC*.THydrogen-bonded Turntrans-61.5-20.6-175.4-73.3-68.1000114N927N927-H929 VanDerWaalsContact C-N 3.27Å; N927-H929 PolarHBondContact O-N 3.04Å; N927-H929 WeakPolarHBondContact OD1-CB 3.43Å; N927-H929 PolarHBondContact OD1-CD2 3.42Å; N927-H929 PolarHBondContact OD1-N 2.91Å
930G90.8Very high95.1Very high11 Ų1140.8 Ų40.811%0.11323%0.228CC..Hα-helixtrans-72-23.9176.500000114.5P928 R934P928-G930 PolarHBondContact O-N 3.39Å; G930-R934 WeakPolarHBondContact O-CB 3.4Å; G930-R934 VanDerWaalsContact O-CD 3.24Å; G930-R934 WeakPolarHBondContact O-CD 3.22Å; G930-R934 WeakPolarHBondContact O-CG 3.41Å
931F93.8Very high95.2Very high23 Ų2337.9 Ų37.910%0.10121%0.213CC..Hα-helixtrans-73.7-47.7-172.9-65.2-82.2000114.3I731 M926 P928 S933 R934 M935 K939 L940I731-F931 HydrophobicContact CD1-CE2 3.84Å; I731-F931 HydrophobicContact CD1-CZ 3.64Å; I731-F931 HydrophobicContact CG2-CD2 4.25Å; I731-F931 HydrophobicContact CG2-CE2 3.6Å; I731-F931 HydrophobicContact CG2-CZ 4.43Å; M926-F931 HydrophobicContact CE-CD2 4.41Å; M926-F931 HydrophobicContact CE-CE1 4.43Å; M926-F931 HydrophobicContact CE-CE2 3.66Å; M926-F931 HydrophobicContact CE-CZ 3.67Å; M926-F931 HydrophobicContact SD-CE2 3.75Å; M926-F931 HydrophobicContact SD-CZ 3.49Å; M926-F931 WeakPolarHBondContact SD-CZ 2.98Å; P928-F931 WeakPolarHBondContact O-CD2 3.37Å; P928-F931 PolarHBondContact O-N 3.48Å; P928-F931 VanDerWaalsContact O-N 3.1Å; F931-S933 PolarHBondContact O-N 3.14Å; F931-R934 PolarHBondContact O-N 3.25Å; F931-M935 PolarHBondContact O-N 3.08Å; F931-K939 HydrophobicContact CE1-CB 4.15Å; F931-K939 HydrophobicContact CE1-CD 3.86Å; F931-K939 HydrophobicContact CE1-CG 4.26Å; F931-K939 HydrophobicContact CZ-CD 4.07Å; F931-L940 HydrophobicContact CD1-CD2 4.11Å; F931-L940 HydrophobicContact CD1-CG 4.29Å; F931-L940 HydrophobicContact CE1-CD2 3.92Å; F931-L940 HydrophobicContact CE1-CG 4.36Å; F931-L940 HydrophobicContact CZ-CD2 4.28Å
932P94.9Very high95.2Very high102 Ų10236.7 Ų36.766%0.66221%0.206SC*.Hα-helixtrans-61.9-46.1-174-25.535.7000113.4P928 R934P928-P932 WeakPolarHBondContact O-CD 3.34Å; P932-R934 VanDerWaalsContact C-N 3.32Å; P932-R934 PolarHBondContact O-N 2.86Å
933S93.1Very high95.1Very high97 Ų9736.6 Ų36.668%0.67821%0.206SC*.Hα-helixtrans-68.5-31.4-179.6172.60000112.8F931F931-S933 PolarHBondContact O-N 3.14Å
934R93.7Very high95Very high31 Ų3135.7 Ų35.712%0.11720%0.201CC..Hα-helixtrans-95.9-18.6-172-59-174.5168.3-179-6113.8R670 D741 G930 F931 P932 T936R670-R934 VanDerWaalsContact CZ-CG 3.45Å; D741-R934 IonicContact OD1-CZ 2.96Å; D741-R934 IonicContact OD1-NE 2.9Å; D741-R934 IonicContact OD1-NH1 3.31Å; D741-R934 PolarHBondContact OD1-NH1 2.79Å; D741-R934 IonicContact OD1-NH2 3.7Å; D741-R934 PolarHBondContact OD1-NH2 2.82Å; D741-R934 IonicContact OD2-CZ 3.33Å; D741-R934 IonicContact OD2-NH1 3.27Å; D741-R934 IonicContact OD2-NH2 2.8Å; D741-R934 PolarHBondContact OD2-NH2 2.87Å; G930-R934 WeakPolarHBondContact O-CB 3.4Å; G930-R934 VanDerWaalsContact O-CD 3.24Å; G930-R934 WeakPolarHBondContact O-CD 3.22Å; G930-R934 WeakPolarHBondContact O-CG 3.41Å; F931-R934 PolarHBondContact O-N 3.25Å; P932-R934 VanDerWaalsContact C-N 3.32Å; P932-R934 PolarHBondContact O-N 2.86Å; R934-T936 HydrophobicContact CB-CG2 4.03Å; R934-T936 PolarHBondContact O-N 3.32Å
935M96.1Very high94.9Very high99 Ų9935.7 Ų35.749%0.48820%0.201SC..THydrogen-bonded Turntrans50.143.8-178.7-57.1175.7-73.400112Q667 F931 V937Q667-M935 HydrophobicContact CB-CE 4.45Å; Q667-M935 HydrophobicContact CG-CE 4.05Å; F931-M935 PolarHBondContact O-N 3.08Å; M935-V937 VanDerWaalsContact C-N 3.3Å; M935-V937 PolarHBondContact O-N 2.87Å
936T95.5Very high94.9Very high2 Ų235.7 Ų35.71%0.01220%0.2CC..BIsolated β-bridgetrans-9164.5177.153.60000110.2N666 R670 H898 Q900 R934 G938 K939N666-T936 WeakPolarHBondContact OD1-CA 3.34Å; R670-T936 HydrophobicContact CB-CG2 3.97Å; R670-T936 HydrophobicContact CG-CG2 3.58Å; H898-T936 HydrophobicContact CB-CG2 4.45Å; Q900-T936 HydrophobicContact CG-CG2 4.45Å; Q900-T936 PolarHBondContact NE2-OG1 3.4Å; R934-T936 HydrophobicContact CB-CG2 4.03Å; R934-T936 PolarHBondContact O-N 3.32Å; T936-G938 PolarHBondContact O-N 3.37Å; T936-K939 PolarHBondContact O-N 2.81Å
937V95.6Very high94.9Very high70 Ų7035.6 Ų35.642%0.42420%0.2SC..Hα-helixtrans-66.5-29-179-178.60000110.7H665 M935 K939 L940 L941H665-V937 HydrophobicContact CB-CB 4.36Å; H665-V937 PolarHBondContact O-N 3.26Å; H665-V937 VanDerWaalsContact O-N 3.17Å; M935-V937 VanDerWaalsContact C-N 3.3Å; M935-V937 PolarHBondContact O-N 2.87Å; V937-K939 PolarHBondContact O-N 2.85Å; V937-K939 VanDerWaalsContact O-N 3.11Å; V937-L940 WeakPolarHBondContact O-CA 2.92Å; V937-L940 WeakPolarHBondContact O-CB 3.41Å; V937-L940 PolarHBondContact O-N 3.08Å; V937-L941 PolarHBondContact O-N 2.94Å; V937-L941 VanDerWaalsContact O-N 3.11Å
938G95.5Very high94.9Very high0 Ų035 Ų350%020%0.196CC..Hα-helixtrans-54.7-31.317500000113.8H665 N666 H898 T936 L941 E942H665-G938 PolarHBondContact O-N 2.89Å; N666-G938 PolarHBondContact OD1-N 2.86Å; H898-G938 PolarHBondContact CE1-O 3.13Å; T936-G938 PolarHBondContact O-N 3.37Å; G938-L941 PolarHBondContact O-N 2.91Å; G938-E942 PolarHBondContact O-N 2.66Å
939K95.8Very high94.9Very high1 Ų132.8 Ų32.80%0.00418%0.182CC..Hα-helixtrans-69.9-35.5175.9-171.2176.1-173.2-173.10112.1H898 M926 F931 T936 V937 E942 V943 Y1006H898-K939 HydrophobicContact CB-CB 4.24Å; H898-K939 PolarHBondContact CE1-N 3.32Å; H898-K939 VanDerWaalsContact CE1-N 3.27Å; H898-K939 PolarHBondContact ND1-N 3.07Å; H898-K939 WeakPolarHBondContact NE2-CA 3.35Å; M926-K939 HydrophobicContact SD-CD 4.48Å; M926-K939 PolarHBondContact SD-NZ 3.24Å; F931-K939 HydrophobicContact CE1-CB 4.15Å; F931-K939 HydrophobicContact CE1-CD 3.86Å; F931-K939 HydrophobicContact CE1-CG 4.26Å; F931-K939 HydrophobicContact CZ-CD 4.07Å; T936-K939 PolarHBondContact O-N 2.81Å; V937-K939 PolarHBondContact O-N 2.85Å; V937-K939 VanDerWaalsContact O-N 3.11Å; K939-E942 PolarHBondContact O-N 2.92Å; K939-V943 WeakPolarHBondContact O-CG2 3.31Å; K939-V943 PolarHBondContact O-N 2.84Å; K939-V943 VanDerWaalsContact O-N 3.09Å; K939-Y1006 PolarHBondContact NZ-OH 3.05Å
940L95.1Very high94.8Very high59 Ų5928.5 Ų28.531%0.30917%0.173SC..Hα-helixtrans-66.7-43.5175.3-57.5176000109.6I731 F931 V937 E942 V943 L944 Y1000I731-L940 HydrophobicContact CD1-CD2 3.86Å; F931-L940 HydrophobicContact CD1-CD2 4.11Å; F931-L940 HydrophobicContact CD1-CG 4.29Å; F931-L940 HydrophobicContact CE1-CD2 3.92Å; F931-L940 HydrophobicContact CE1-CG 4.36Å; F931-L940 HydrophobicContact CZ-CD2 4.28Å; V937-L940 WeakPolarHBondContact O-CA 2.92Å; V937-L940 WeakPolarHBondContact O-CB 3.41Å; V937-L940 PolarHBondContact O-N 3.08Å; L940-E942 VanDerWaalsContact C-N 3.32Å; L940-E942 PolarHBondContact O-N 3.22Å; L940-V943 WeakPolarHBondContact O-CB 3.49Å; L940-V943 PolarHBondContact O-N 2.87Å; L940-L944 PolarHBondContact O-N 3.36Å; L940-L944 VanDerWaalsContact O-N 3.14Å; L940-Y1000 HydrophobicContact CB-CE1 4.13Å; L940-Y1000 HydrophobicContact CD2-CD1 3.89Å; L940-Y1000 HydrophobicContact CD2-CE1 3.75Å; L940-Y1000 PolarHBondContact O-OH 3.02Å
941L95.1Very high94.9Very high24 Ų2430.4 Ų30.413%0.12618%0.18CC..Hα-helixtrans-61.5-38.1172.6-65.4175.9000112.6Y662 H665 V937 G938 V943 L944 G945 A966Y662-L941 HydrophobicContact CD1-CD1 4.29Å; Y662-L941 HydrophobicContact CD2-CB 3.77Å; Y662-L941 HydrophobicContact CE2-CB 3.95Å; Y662-L941 HydrophobicContact CG-CB 4.18Å; Y662-L941 HydrophobicContact CG-CD1 4.2Å; H665-L941 HydrophobicContact CB-CD1 4.36Å; V937-L941 PolarHBondContact O-N 2.94Å; V937-L941 VanDerWaalsContact O-N 3.11Å; G938-L941 PolarHBondContact O-N 2.91Å; L941-V943 VanDerWaalsContact C-N 3.34Å; L941-V943 PolarHBondContact O-N 3.05Å; L941-L944 PolarHBondContact O-N 3.08Å; L941-G945 PolarHBondContact O-N 3.43Å; L941-A966 HydrophobicContact CD2-CB 3.89Å
942E96Very high94.9Very high0 Ų032.4 Ų32.40%019%0.189CC..Hα-helixtrans-60.5-40.9174.6-173.7-178.8-150.900111.8P661 V708 R897 H898 G938 K939 L940 S946P661-E942 HydrophobicContact CG-CB 4.21Å; P661-E942 HydrophobicContact CG-CG 4.03Å; V708-E942 HydrophobicContact CB-CG 4.3Å; V708-E942 HydrophobicContact CG2-CG 4.41Å; R897-E942 IonicContact CZ-OE1 3.26Å; R897-E942 IonicContact NE-OE1 2.96Å; R897-E942 IonicContact NH1-OE1 3.45Å; R897-E942 PolarHBondContact NH1-OE1 3.44Å; H898-E942 IonicContact CD2-OE2 3.86Å; H898-E942 PolarHBondContact CD2-OE2 3.11Å; H898-E942 IonicContact NE2-OE2 2.82Å; H898-E942 PolarHBondContact NE2-OE2 3.09Å; H898-E942 VanDerWaalsContact NE2-OE2 3.17Å; G938-E942 PolarHBondContact O-N 2.66Å; K939-E942 PolarHBondContact O-N 2.92Å; L940-E942 VanDerWaalsContact C-N 3.32Å; L940-E942 PolarHBondContact O-N 3.22Å; E942-S946 WeakPolarHBondContact O-CB 3.24Å; E942-S946 PolarHBondContact O-N 3.43Å; E942-S946 PolarHBondContact O-OG 2.87Å
943V95.5Very high94.8Very high0 Ų030.9 Ų30.90%019%0.192CC..Hα-helixtrans-61.3-48.7175.4175.40000110.3K939 L940 L941 K947 Y1000 V1004K939-V943 WeakPolarHBondContact O-CG2 3.31Å; K939-V943 PolarHBondContact O-N 2.84Å; K939-V943 VanDerWaalsContact O-N 3.09Å; L940-V943 WeakPolarHBondContact O-CB 3.49Å; L940-V943 PolarHBondContact O-N 2.87Å; L941-V943 VanDerWaalsContact C-N 3.34Å; L941-V943 PolarHBondContact O-N 3.05Å; V943-K947 VanDerWaalsContact O-CB 3.22Å; V943-K947 WeakPolarHBondContact O-CB 3.44Å; V943-K947 PolarHBondContact O-N 2.97Å; V943-Y1000 HydrophobicContact CB-CD1 4.44Å; V943-Y1000 HydrophobicContact CB-CE1 3.59Å; V943-Y1000 HydrophobicContact CG1-CD1 4.14Å; V943-Y1000 HydrophobicContact CG1-CE1 3.61Å; V943-Y1000 HydrophobicContact CG1-CE2 4.01Å; V943-Y1000 HydrophobicContact CG2-CE1 3.95Å; V943-V1004 HydrophobicContact CB-CG2 4.34Å; V943-V1004 HydrophobicContact CG2-CG2 3.3Å
944L95Very high94.7Very high10 Ų1031.9 Ų31.95%0.05218%0.184CC..Hα-helixtrans-60.7-49.6-180-161.274.5000111.4L940 L941 K947 A948 A966 L969 L973 Y1000L940-L944 PolarHBondContact O-N 3.36Å; L940-L944 VanDerWaalsContact O-N 3.14Å; L941-L944 PolarHBondContact O-N 3.08Å; L944-K947 PolarHBondContact O-N 3.19Å; L944-A948 WeakPolarHBondContact O-CB 3.46Å; L944-A948 PolarHBondContact O-N 2.7Å; L944-A966 HydrophobicContact CD2-CB 4.39Å; L944-L969 HydrophobicContact CD2-CB 3.73Å; L944-L969 HydrophobicContact CD2-CD1 4.27Å; L944-L969 HydrophobicContact CG-CB 3.99Å; L944-L973 HydrophobicContact CD1-CD1 3.34Å; L944-L973 HydrophobicContact CG-CD1 4.09Å; L944-Y1000 PolarHBondContact N-OH 3.47Å
945G94.9Very high94.7Very high0 Ų033.8 Ų33.80%020%0.196CC..Hα-helixtrans-65.7-43-179.300000112.6L941 K947 A948 G949 R956L941-G945 PolarHBondContact O-N 3.43Å; G945-K947 VanDerWaalsContact C-N 3.33Å; G945-K947 PolarHBondContact O-N 3.08Å; G945-A948 PolarHBondContact O-N 3.45Å; G945-G949 PolarHBondContact O-N 3Å; G945-R956 VanDerWaalsContact O-CG 3.26Å; G945-R956 WeakPolarHBondContact O-CG 3.44Å
946S95.6Very high94.6Very high0 Ų030.3 Ų30.30%018%0.177CC..Hα-helixtrans-67.4-36.6178.6-580000111.3V708 E942 A950 P1003V708-S946 VanDerWaalsContact CG2-N 3.3Å; V708-S946 WeakPolarHBondContact CG2-OG 3.26Å; E942-S946 WeakPolarHBondContact O-CB 3.24Å; E942-S946 PolarHBondContact O-N 3.43Å; E942-S946 PolarHBondContact O-OG 2.87Å; S946-A950 VanDerWaalsContact O-CB 3.26Å; S946-A950 WeakPolarHBondContact O-CB 3.4Å; S946-A950 PolarHBondContact O-N 3.31Å; S946-P1003 WeakPolarHBondContact CB-O 3.49Å
947K95.5Very high94.5Very high10 Ų1031.7 Ų31.74%0.04319%0.185CC..Hα-helixtrans-66.3-51174.8-170.7177.5-171.3155.90111.6V943 L944 G945 G949 A950 I951 L973 G982 E984 F1001V943-K947 VanDerWaalsContact O-CB 3.22Å; V943-K947 WeakPolarHBondContact O-CB 3.44Å; V943-K947 PolarHBondContact O-N 2.97Å; L944-K947 PolarHBondContact O-N 3.19Å; G945-K947 VanDerWaalsContact C-N 3.33Å; G945-K947 PolarHBondContact O-N 3.08Å; K947-G949 VanDerWaalsContact C-N 3.26Å; K947-G949 PolarHBondContact O-N 3.24Å; K947-A950 PolarHBondContact O-N 2.74Å; K947-I951 HydrophobicContact CG-CD1 3.96Å; K947-I951 WeakPolarHBondContact O-CD1 3.19Å; K947-I951 WeakPolarHBondContact O-CG1 3.19Å; K947-I951 PolarHBondContact O-N 3.01Å; K947-L973 HydrophobicContact CB-CD2 4.41Å; K947-L973 HydrophobicContact CD-CD2 4.07Å; K947-L973 HydrophobicContact CG-CD2 3.93Å; K947-G982 PolarHBondContact NZ-O 3.38Å; K947-E984 VanDerWaalsContact CE-OE1 3.23Å; K947-E984 WeakPolarHBondContact CE-OE1 3.17Å; K947-E984 IonicContact NZ-OE1 2.99Å; K947-E984 PolarHBondContact NZ-OE1 3.11Å; K947-F1001 PolarHBondContact NZ-O 3.41Å
948A95.3Very high94.4Very high0 Ų028.4 Ų28.40%017%0.165CC..Hα-helixtrans-59.9-38.3176.400000111.9L944 G945 E952 L969 V972 L973L944-A948 WeakPolarHBondContact O-CB 3.46Å; L944-A948 PolarHBondContact O-N 2.7Å; G945-A948 PolarHBondContact O-N 3.45Å; A948-E952 WeakPolarHBondContact O-CB 3.35Å; A948-E952 PolarHBondContact O-N 2.82Å; A948-E952 VanDerWaalsContact O-N 3.08Å; A948-L969 HydrophobicContact CB-CD2 4.25Å; A948-V972 HydrophobicContact CB-CB 4.32Å; A948-V972 HydrophobicContact CB-CG1 4.06Å; A948-L973 HydrophobicContact CB-CD2 4.23Å; A948-L973 HydrophobicContact CB-CG 4.41Å
949G94.5Very high94.2Very high2 Ų228.5 Ų28.52%0.02117%0.165CC..Hα-helixtrans-68.8-39.8175.500000113.7G945 K947 G953 K954G945-G949 PolarHBondContact O-N 3Å; K947-G949 VanDerWaalsContact C-N 3.26Å; K947-G949 PolarHBondContact O-N 3.24Å; G949-G953 CarbonylContact O-C 3.55Å; G949-G953 WeakPolarHBondContact O-CA 3.42Å; G949-G953 PolarHBondContact O-N 2.97Å; G949-K954 CarbonylContact C-O 3.59Å; G949-K954 WeakPolarHBondContact CA-O 3.41Å; G949-K954 PolarHBondContact O-N 3.1Å; G949-K954 VanDerWaalsContact O-O 3.12Å
950A94.3Very high94.1Very high57 Ų5728.7 Ų28.747%0.47117%0.167SC..Hα-helixtrans-65-38.1176.300000112.5L707 S946 K947 P1003L707-A950 HydrophobicContact CD1-CB 4.26Å; S946-A950 VanDerWaalsContact O-CB 3.26Å; S946-A950 WeakPolarHBondContact O-CB 3.4Å; S946-A950 PolarHBondContact O-N 3.31Å; K947-A950 PolarHBondContact O-N 2.74Å; A950-P1003 HydrophobicContact CB-CG 4.34Å
951I92.8Very high93.9Very high52 Ų5231.4 Ų31.427%0.26718%0.177SC..Hα-helixtrans-73.6-47.3179.5-65.7161000111.3K947 G953 L973 H976 Y978K947-I951 HydrophobicContact CG-CD1 3.96Å; K947-I951 WeakPolarHBondContact O-CD1 3.19Å; K947-I951 WeakPolarHBondContact O-CG1 3.19Å; K947-I951 PolarHBondContact O-N 3.01Å; I951-G953 VanDerWaalsContact C-N 3.27Å; I951-G953 PolarHBondContact O-N 2.69Å; I951-L973 HydrophobicContact CD1-CD2 3.69Å; I951-H976 HydrophobicContact CG2-CB 3.57Å; I951-H976 WeakPolarHBondContact CG2-CD2 3.34Å; I951-Y978 HydrophobicContact CD1-CD2 3.47Å; I951-Y978 VanDerWaalsContact CD1-CD2 3.47Å; I951-Y978 HydrophobicContact CD1-CE2 3.42Å; I951-Y978 VanDerWaalsContact CD1-CE2 3.42Å; I951-Y978 HydrophobicContact CD1-CG 4.12Å; I951-Y978 HydrophobicContact CG1-CE2 4.02Å
952E92.4Very high93.5Very high65 Ų6532.8 Ų32.830%0.30419%0.189SC..Hα-helixtrans-76.4-15.4-179.6-157.9-167.8-178.500112.7A948 K954 R956 V972A948-E952 WeakPolarHBondContact O-CB 3.35Å; A948-E952 PolarHBondContact O-N 2.82Å; A948-E952 VanDerWaalsContact O-N 3.08Å; E952-K954 VanDerWaalsContact C-N 3.34Å; E952-K954 HydrophobicContact CG-CD 4.32Å; E952-K954 HydrophobicContact CG-CG 4.28Å; E952-K954 VanDerWaalsContact OE1-CE 3.22Å; E952-K954 WeakPolarHBondContact OE1-CE 3.47Å; E952-K954 IonicContact OE1-NZ 2.78Å; E952-K954 PolarHBondContact OE1-NZ 2.99Å; E952-K954 WeakPolarHBondContact OE2-CD 3.49Å; E952-K954 IonicContact OE2-NZ 3.43Å; E952-R956 IonicContact OE2-CZ 3.46Å; E952-R956 IonicContact OE2-NE 2.87Å; E952-R956 IonicContact OE2-NH1 3.35Å; E952-R956 PolarHBondContact OE2-NH1 3.17Å; E952-R956 IonicContact OE2-NH2 3.2Å; E952-R956 PolarHBondContact OE2-NH2 3.18Å; E952-V972 HydrophobicContact CB-CG1 4.46Å
953G92.8Very high93Very high69 Ų6933.7 Ų33.771%0.71120%0.198SC*.THydrogen-bonded Turntrans73.822.5-173.200000113.8G949 I951G949-G953 CarbonylContact O-C 3.55Å; G949-G953 WeakPolarHBondContact O-CA 3.42Å; G949-G953 PolarHBondContact O-N 2.97Å; I951-G953 VanDerWaalsContact C-N 3.27Å; I951-G953 PolarHBondContact O-N 2.69Å
954K92.4Very high92.8Very high118 Ų11835.7 Ų35.751%0.51321%0.208SC..  trans-114.4144.4179.1-64.7-170.6-170157.30111.6G949 E952G949-K954 CarbonylContact C-O 3.59Å; G949-K954 WeakPolarHBondContact CA-O 3.41Å; G949-K954 PolarHBondContact O-N 3.1Å; G949-K954 VanDerWaalsContact O-O 3.12Å; E952-K954 VanDerWaalsContact C-N 3.34Å; E952-K954 HydrophobicContact CG-CD 4.32Å; E952-K954 HydrophobicContact CG-CG 4.28Å; E952-K954 VanDerWaalsContact OE1-CE 3.22Å; E952-K954 WeakPolarHBondContact OE1-CE 3.47Å; E952-K954 IonicContact OE1-NZ 2.78Å; E952-K954 PolarHBondContact OE1-NZ 2.99Å; E952-K954 WeakPolarHBondContact OE2-CD 3.49Å; E952-K954 IonicContact OE2-NZ 3.43Å
955I93Very high92.7Very high71 Ų7138.5 Ų38.536%0.36423%0.227SC..PPolyproline II helixtrans-77.8130.1168.8-61.2174.5000107.4K705 L707 Q709K705-I955 HydrophobicContact CD-CD1 4.4Å; L707-I955 WeakPolarHBondContact O-CG2 3.33Å; Q709-I955 HydrophobicContact CB-CG2 3.91Å; Q709-I955 HydrophobicContact CG-CG2 3.63Å
956R94.1Very high92.6Very high26 Ų2640.5 Ų40.510%0.09824%0.244CC..EExtended strand (participates in β ladder)trans-94.1151.4-179.1-67.2-60.1-172.8-179.6-1.8112.4L707 V708 Q709 G945 E952 D964 L969L707-R956 PolarHBondContact O-N 2.86Å; L707-R956 VanDerWaalsContact O-N 3.14Å; V708-R956 HydrophobicContact CG2-CB 4.19Å; Q709-R956 PolarHBondContact N-O 3.22Å; G945-R956 VanDerWaalsContact O-CG 3.26Å; G945-R956 WeakPolarHBondContact O-CG 3.44Å; E952-R956 IonicContact OE2-CZ 3.46Å; E952-R956 IonicContact OE2-NE 2.87Å; E952-R956 IonicContact OE2-NH1 3.35Å; E952-R956 PolarHBondContact OE2-NH1 3.17Å; E952-R956 IonicContact OE2-NH2 3.2Å; E952-R956 PolarHBondContact OE2-NH2 3.18Å; R956-D964 WeakPolarHBondContact CD-OD2 3.3Å; R956-L969 HydrophobicContact CG-CD2 4.25Å
957D93Very high92.5Very high32 Ų3248.3 Ų48.317%0.17128%0.28CS..EExtended strand (participates in β ladder)trans-89.7116.6-180-168.31.7000110.7Y662 Q709 K711 S959 G963 D964Y662-D957 PolarHBondContact OH-O 3.37Å; Q709-D957 WeakPolarHBondContact O-CA 3.39Å; K711-D957 WeakPolarHBondContact CE-OD2 2.97Å; K711-D957 IonicContact NZ-OD2 2.69Å; K711-D957 PolarHBondContact NZ-OD2 3.16Å; K711-D957 VanDerWaalsContact NZ-OD2 3.15Å; D957-S959 WeakPolarHBondContact OD1-CB 3.43Å; D957-S959 PolarHBondContact OD1-N 3.14Å; D957-S959 PolarHBondContact OD1-OG 3.15Å; D957-G963 CarbonylContact O-C 3.55Å; D957-G963 VanDerWaalsContact O-CA 3.3Å; D957-G963 WeakPolarHBondContact O-CA 3.27Å; D957-D964 PolarHBondContact N-OD2 3.1Å; D957-D964 PolarHBondContact O-N 2.79Å
958G93.2Very high92.4Very high0 Ų051.1 Ų51.10%030%0.298CS..  trans-110.224.4174.400000113.3P661 Y662 Q709P661-G958 WeakPolarHBondContact CA-O 3.16Å; Y662-G958 PolarHBondContact N-O 2.77Å; Q709-G958 PolarHBondContact O-N 3.4Å
959S92.7Very high92.3Very high2 Ų251.1 Ų51.11%0.01430%0.298CS..  trans-60.5146-178.5-63.60000112.9S710 K711 D957 F961 S962 G963S710-S959 WeakPolarHBondContact CA-OG 3.33Å; K711-S959 WeakPolarHBondContact CG-OG 3.37Å; K711-S959 PolarHBondContact N-OG 3.06Å; D957-S959 WeakPolarHBondContact OD1-CB 3.43Å; D957-S959 PolarHBondContact OD1-N 3.14Å; D957-S959 PolarHBondContact OD1-OG 3.15Å; S959-F961 PolarHBondContact O-N 3.23Å; S959-S962 WeakPolarHBondContact CB-OG 3.07Å; S959-S962 PolarHBondContact O-N 3.33Å; S959-G963 PolarHBondContact O-N 3.39Å
960A92.3Very high92.3Very high6 Ų651.9 Ų51.95%0.0530%0.303CS..THydrogen-bonded Turntrans-55.8133.6174.600000110.9A650 L653 P663 S962A650-A960 HydrophobicContact CB-CB 4.05Å; L653-A960 HydrophobicContact CD1-CB 3.95Å; P663-A960 HydrophobicContact CG-CB 3.55Å; A960-S962 PolarHBondContact O-N 3.49Å; A960-S962 PolarHBondContact O-OG 2.86Å
961F91.2Very high92.3Very high116 Ų11653.8 Ų53.851%0.50930%0.302SS..THydrogen-bonded Turntrans61.4-4.4176.7-39.3-64.9000116.9P649 I652 D664 S959P649-F961 HydrophobicContact CB-CD2 3.92Å; P649-F961 HydrophobicContact CB-CE2 4.42Å; P649-F961 HydrophobicContact CG-CB 4.44Å; P649-F961 HydrophobicContact CG-CD2 4.25Å; I652-F961 HydrophobicContact CG2-CE2 4.1Å; D664-F961 HydrophobicContact CB-CD1 3.99Å; D664-F961 HydrophobicContact CB-CE1 3.84Å; D664-F961 PolarHBondContact OD1-N 2.92Å; S959-F961 PolarHBondContact O-N 3.23Å
962S86.9Confident92.4Very high53 Ų5352.1 Ų52.137%0.37130%0.295SS..THydrogen-bonded Turntrans-141.48.6-173600000114.6S959 A960S959-S962 WeakPolarHBondContact CB-OG 3.07Å; S959-S962 PolarHBondContact O-N 3.33Å; A960-S962 PolarHBondContact O-N 3.49Å; A960-S962 PolarHBondContact O-OG 2.86Å
963G85.7Confident92.5Very high19 Ų1949 Ų4920%0.19628%0.28CS..SBendtrans-68.1168.617900000113.7D957 S959D957-G963 CarbonylContact O-C 3.55Å; D957-G963 VanDerWaalsContact O-CA 3.3Å; D957-G963 WeakPolarHBondContact O-CA 3.27Å; S959-G963 PolarHBondContact O-N 3.39Å
964D91.3Very high92.6Very high41 Ų4149.8 Ų49.822%0.21927%0.267CS..PPolyproline II helixtrans-60.1125.6-179.5-69.7-36.3000110.3Y662 R956 D957 L969Y662-D964 PolarHBondContact OH-O 3.2Å; Y662-D964 VanDerWaalsContact OH-O 3.11Å; R956-D964 WeakPolarHBondContact CD-OD2 3.3Å; D957-D964 PolarHBondContact N-OD2 3.1Å; D957-D964 PolarHBondContact O-N 2.79Å; D964-L969 HydrophobicContact CB-CD1 4.44Å; D964-L969 HydrophobicContact CB-CD2 3.96Å; D964-L969 HydrophobicContact CB-CG 4.21Å
965P92.9Very high92.7Very high69 Ų6949.2 Ų49.245%0.44827%0.27SS..PPolyproline II helixtrans-70.4150.6179.929.6-34.7000110.8E967 V968 L969P965-E967 PolarHBondContact O-N 2.63Å; P965-V968 HydrophobicContact CG-CB 4.12Å; P965-V968 HydrophobicContact CG-CG2 3.68Å; P965-V968 PolarHBondContact O-N 3.45Å; P965-L969 PolarHBondContact O-N 2.96Å
966A93Very high92.7Very high42 Ų4250.1 Ų50.135%0.34727%0.272SS..Hα-helixtrans-57.3-35.3-176.800000113.2L941 L944 V968 L969 S970L941-A966 HydrophobicContact CD2-CB 3.89Å; L944-A966 HydrophobicContact CD2-CB 4.39Å; A966-V968 PolarHBondContact O-N 3.48Å; A966-L969 PolarHBondContact O-N 2.67Å; A966-S970 WeakPolarHBondContact O-CB 2.98Å; A966-S970 PolarHBondContact O-N 2.91Å; A966-S970 PolarHBondContact O-OG 3.25Å
967E93.9Very high92.6Very high164 Ų16452.3 Ų52.377%0.76630%0.303SS*.Hα-helixtrans-59.2-45.2179.2-65.5162.4-173.800112.3P965 L969 S970 Q971P965-E967 PolarHBondContact O-N 2.63Å; E967-L969 VanDerWaalsContact C-N 3.35Å; E967-S970 PolarHBondContact O-N 2.75Å; E967-Q971 PolarHBondContact O-N 3.39Å
968V92.8Very high92.6Very high70 Ų7053.8 Ų53.842%0.42431%0.307SS..Hα-helixtrans-65.9-41.2177.81730000110.3P965 A966 Q971 V972P965-V968 HydrophobicContact CG-CB 4.12Å; P965-V968 HydrophobicContact CG-CG2 3.68Å; P965-V968 PolarHBondContact O-N 3.45Å; A966-V968 PolarHBondContact O-N 3.48Å; V968-Q971 PolarHBondContact O-N 3.48Å; V968-V972 WeakPolarHBondContact O-CG2 3.45Å; V968-V972 PolarHBondContact O-N 3.49Å
969L94Very high92.6Very high0 Ų057.5 Ų57.50%032%0.324CS..Hα-helixtrans-66.2-40.5177.6-60.5176.7000111.8L944 A948 R956 D964 P965 A966 E967 V972 L973L944-L969 HydrophobicContact CD2-CB 3.73Å; L944-L969 HydrophobicContact CD2-CD1 4.27Å; L944-L969 HydrophobicContact CG-CB 3.99Å; A948-L969 HydrophobicContact CB-CD2 4.25Å; R956-L969 HydrophobicContact CG-CD2 4.25Å; D964-L969 HydrophobicContact CB-CD1 4.44Å; D964-L969 HydrophobicContact CB-CD2 3.96Å; D964-L969 HydrophobicContact CB-CG 4.21Å; P965-L969 PolarHBondContact O-N 2.96Å; A966-L969 PolarHBondContact O-N 2.67Å; E967-L969 VanDerWaalsContact C-N 3.35Å; L969-V972 PolarHBondContact O-N 2.95Å; L969-L973 WeakPolarHBondContact O-CG 3.46Å; L969-L973 PolarHBondContact O-N 3.29Å
970S94.2Very high92.7Very high18 Ų1863 Ų6313%0.12635%0.345CS..Hα-helixtrans-63.9-41.7176.1-75.30000112.1A966 E967 V972 L973 I974 Y980A966-S970 WeakPolarHBondContact O-CB 2.98Å; A966-S970 PolarHBondContact O-N 2.91Å; A966-S970 PolarHBondContact O-OG 3.25Å; E967-S970 PolarHBondContact O-N 2.75Å; S970-V972 VanDerWaalsContact C-N 3.33Å; S970-V972 PolarHBondContact O-N 3.47Å; S970-L973 PolarHBondContact O-N 3Å; S970-I974 WeakPolarHBondContact O-CG1 3.39Å; S970-I974 PolarHBondContact O-N 2.77Å; S970-Y980 WeakPolarHBondContact CB-O 3.34Å; S970-Y980 PolarHBondContact OG-O 3.3Å
971Q94.8Very high92.7Very high97 Ų9766 Ų6645%0.45336%0.36SS..Hα-helixtrans-60-44.8176.7-172.460.140.400111.3E967 V968 L973 I974 D975E967-Q971 PolarHBondContact O-N 3.39Å; V968-Q971 PolarHBondContact O-N 3.48Å; Q971-L973 VanDerWaalsContact C-N 3.25Å; Q971-L973 PolarHBondContact O-N 3.46Å; Q971-I974 WeakPolarHBondContact O-CB 3.23Å; Q971-I974 PolarHBondContact O-N 3.34Å; Q971-I974 VanDerWaalsContact O-N 3.1Å; Q971-D975 PolarHBondContact NE2-OD1 2.82Å; Q971-D975 PolarHBondContact O-N 2.94Å
972V94Very high92.7Very high17 Ų1760.5 Ų60.510%0.10334%0.336CS..Hα-helixtrans-59.8-37.8177.9173.50000111.7A948 E952 V968 L969 S970 H976A948-V972 HydrophobicContact CB-CB 4.32Å; A948-V972 HydrophobicContact CB-CG1 4.06Å; E952-V972 HydrophobicContact CB-CG1 4.46Å; V968-V972 WeakPolarHBondContact O-CG2 3.45Å; V968-V972 PolarHBondContact O-N 3.49Å; L969-V972 PolarHBondContact O-N 2.95Å; S970-V972 VanDerWaalsContact C-N 3.33Å; S970-V972 PolarHBondContact O-N 3.47Å; V972-H976 PolarHBondContact O-N 3.15Å; V972-H976 PolarHBondContact O-ND1 2.92Å
973L94.3Very high93.1Very high0 Ų062.1 Ų62.10%034%0.336CS..Hα-helixtrans-67.4-41.6176.5-67.7178.1000111.9L944 K947 A948 I951 L969 S970 Q971 D975 H976 G977 Y978L944-L973 HydrophobicContact CD1-CD1 3.34Å; L944-L973 HydrophobicContact CG-CD1 4.09Å; K947-L973 HydrophobicContact CB-CD2 4.41Å; K947-L973 HydrophobicContact CD-CD2 4.07Å; K947-L973 HydrophobicContact CG-CD2 3.93Å; A948-L973 HydrophobicContact CB-CD2 4.23Å; A948-L973 HydrophobicContact CB-CG 4.41Å; I951-L973 HydrophobicContact CD1-CD2 3.69Å; L969-L973 WeakPolarHBondContact O-CG 3.46Å; L969-L973 PolarHBondContact O-N 3.29Å; S970-L973 PolarHBondContact O-N 3Å; Q971-L973 VanDerWaalsContact C-N 3.25Å; Q971-L973 PolarHBondContact O-N 3.46Å; L973-D975 VanDerWaalsContact C-N 3.34Å; L973-H976 CarbonylContact O-C 3.05Å; L973-H976 PolarHBondContact O-N 2.97Å; L973-G977 PolarHBondContact O-N 3.06Å; L973-Y978 CarbonylContact C-O 3.51Å; L973-Y978 PolarHBondContact O-N 3.19Å
974I95.2Very high93.5Very high85 Ų8562 Ų6244%0.43633%0.331SS..Hα-helixtrans-59.9-47175.4-65.4166.4000110.1S970 Q971 H976 G977S970-I974 WeakPolarHBondContact O-CG1 3.39Å; S970-I974 PolarHBondContact O-N 2.77Å; Q971-I974 WeakPolarHBondContact O-CB 3.23Å; Q971-I974 PolarHBondContact O-N 3.34Å; Q971-I974 VanDerWaalsContact O-N 3.1Å; I974-H976 PolarHBondContact O-N 2.78Å; I974-H976 VanDerWaalsContact O-N 3.09Å; I974-G977 PolarHBondContact O-N 3.5Å
975D94.8Very high93.6Very high106 Ų10663.7 Ų63.757%0.56734%0.339SS*.Hα-helixtrans-59.1-25.8-178.1-63.1-18.6000112.4Q971 L973Q971-D975 PolarHBondContact NE2-OD1 2.82Å; Q971-D975 PolarHBondContact O-N 2.94Å; L973-D975 VanDerWaalsContact C-N 3.34Å
976H93.2Very high93.8Very high89 Ų8960.4 Ų60.441%0.41232%0.318SS..THydrogen-bonded Turntrans-105.115.3178.3-63.282.1000113.7I951 V972 L973 I974 Y978I951-H976 HydrophobicContact CG2-CB 3.57Å; I951-H976 WeakPolarHBondContact CG2-CD2 3.34Å; V972-H976 PolarHBondContact O-N 3.15Å; V972-H976 PolarHBondContact O-ND1 2.92Å; L973-H976 CarbonylContact O-C 3.05Å; L973-H976 PolarHBondContact O-N 2.97Å; I974-H976 PolarHBondContact O-N 2.78Å; I974-H976 VanDerWaalsContact O-N 3.09Å; H976-Y978 HydrophobicContact CB-CD2 4.28Å; H976-Y978 WeakPolarHBondContact O-CD2 3.08Å; H976-Y978 PolarHBondContact O-N 3.16Å
977G91.7Very high94Very high73 Ų7362 Ų6275%0.75332%0.315SS*.THydrogen-bonded Turntrans77.413.9173.600000115.5L973 I974L973-G977 PolarHBondContact O-N 3.06Å; I974-G977 PolarHBondContact O-N 3.5Å
978Y92.8Very high94Very high62 Ų6255.1 Ų55.124%0.24329%0.285CS..SBendtrans-93158.6171.4-70.4-92000111N918 I951 L973 H976 E984N918-Y978 PolarHBondContact ND2-OH 2.84Å; I951-Y978 HydrophobicContact CD1-CD2 3.47Å; I951-Y978 VanDerWaalsContact CD1-CD2 3.47Å; I951-Y978 HydrophobicContact CD1-CE2 3.42Å; I951-Y978 VanDerWaalsContact CD1-CE2 3.42Å; I951-Y978 HydrophobicContact CD1-CG 4.12Å; I951-Y978 HydrophobicContact CG1-CE2 4.02Å; L973-Y978 CarbonylContact C-O 3.51Å; L973-Y978 PolarHBondContact O-N 3.19Å; H976-Y978 HydrophobicContact CB-CD2 4.28Å; H976-Y978 WeakPolarHBondContact O-CD2 3.08Å; H976-Y978 PolarHBondContact O-N 3.16Å; Y978-E984 HydrophobicContact CD1-CG 4.45Å; Y978-E984 WeakPolarHBondContact CD1-OE1 3.4Å; Y978-E984 VanDerWaalsContact CE1-OE1 3.29Å; Y978-E984 WeakPolarHBondContact CE1-OE1 3.44Å
979H93.3Very high94.1Very high79 Ų7952.9 Ų52.937%0.36628%0.276SS..  trans-62.4139.7173.6-168.6-88.8000110.7L981 G982 K983H979-L981 PolarHBondContact ND1-N 2.74Å; H979-L981 VanDerWaalsContact ND1-N 3.19Å; H979-L981 PolarHBondContact O-N 3.47Å; H979-L981 VanDerWaalsContact O-N 3.15Å; H979-G982 WeakPolarHBondContact O-CA 3.49Å; H979-G982 PolarHBondContact O-N 3.43Å; H979-K983 VanDerWaalsContact CB-O 3.23Å; H979-K983 WeakPolarHBondContact CB-O 3.42Å
980Y93.5Very high94.1Very high116 Ų11657.5 Ų57.546%0.45530%0.304SS..THydrogen-bonded Turntrans-56.7-33.4-17771.5-80.2000113.9S970 G982S970-Y980 WeakPolarHBondContact CB-O 3.34Å; S970-Y980 PolarHBondContact OG-O 3.3Å; Y980-G982 VanDerWaalsContact C-N 3.31Å
981L93.1Very high94.1Very high71 Ų7161.5 Ų61.537%0.37233%0.328SS..THydrogen-bonded Turntrans-83.13.7173.2-60.5178.2000114.4H979 K983 Y1000H979-L981 PolarHBondContact ND1-N 2.74Å; H979-L981 VanDerWaalsContact ND1-N 3.19Å; H979-L981 PolarHBondContact O-N 3.47Å; H979-L981 VanDerWaalsContact O-N 3.15Å; L981-K983 HydrophobicContact CB-CG 4.31Å; L981-K983 PolarHBondContact O-N 3.32Å; L981-K983 VanDerWaalsContact O-N 3.17Å; L981-Y1000 WeakPolarHBondContact O-CD2 3.45Å; L981-Y1000 WeakPolarHBondContact O-CE2 3.43Å
982G91.3Very high94Very high0 Ų059.1 Ų59.10%033%0.329CS..  trans687.2-176.800000116K947 H979 Y980K947-G982 PolarHBondContact NZ-O 3.38Å; H979-G982 WeakPolarHBondContact O-CA 3.49Å; H979-G982 PolarHBondContact O-N 3.43Å; Y980-G982 VanDerWaalsContact C-N 3.31Å
983K94.9Very high94Very high86 Ų8660.5 Ų60.537%0.37434%0.343SS..EExtended strand (participates in β ladder)trans-75.2147.1174.2-59-172.9177.8-172.10111.3H979 L981 F998 I999 Y1000H979-K983 VanDerWaalsContact CB-O 3.23Å; H979-K983 WeakPolarHBondContact CB-O 3.42Å; L981-K983 HydrophobicContact CB-CG 4.31Å; L981-K983 PolarHBondContact O-N 3.32Å; L981-K983 VanDerWaalsContact O-N 3.17Å; K983-F998 HydrophobicContact CB-CB 3.9Å; K983-F998 HydrophobicContact CD-CB 4.04Å; K983-I999 CarbonylContact C-O 3.58Å; K983-I999 VanDerWaalsContact CA-O 3.32Å; K983-I999 WeakPolarHBondContact CA-O 3.13Å; K983-Y1000 HydrophobicContact CG-CD2 3.99Å
984E94.1Very high94.1Very high18 Ų1864.2 Ų64.28%0.08437%0.367CS..EExtended strand (participates in β ladder)trans-130.1157.4178.9-72.4-177.5-15000111.3S916 K947 Y978 L986 I999 F1001S916-E984 VanDerWaalsContact CB-OE2 3.25Å; S916-E984 WeakPolarHBondContact CB-OE2 3Å; K947-E984 VanDerWaalsContact CE-OE1 3.23Å; K947-E984 WeakPolarHBondContact CE-OE1 3.17Å; K947-E984 IonicContact NZ-OE1 2.99Å; K947-E984 PolarHBondContact NZ-OE1 3.11Å; Y978-E984 HydrophobicContact CD1-CG 4.45Å; Y978-E984 WeakPolarHBondContact CD1-OE1 3.4Å; Y978-E984 VanDerWaalsContact CE1-OE1 3.29Å; Y978-E984 WeakPolarHBondContact CE1-OE1 3.44Å; E984-L986 HydrophobicContact CB-CD2 4.42Å; E984-I999 PolarHBondContact N-O 3.32Å; E984-I999 PolarHBondContact O-N 3.26Å; E984-F1001 HydrophobicContact CB-CB 4.49Å
985I94.8Very high94.1Very high76 Ų7662.5 Ų62.539%0.3936%0.358SS..  trans-79.7120.5166.3-58.7170.7000106.8P994 F998I985-P994 HydrophobicContact CG2-CB 4.36Å; I985-F998 HydrophobicContact CD1-CE1 4.02Å; I985-F998 HydrophobicContact CG1-CD1 3.68Å; I985-F998 HydrophobicContact CG1-CE1 3.53Å
986L95.8Very high94Very high0 Ų067.3 Ų67.30%038%0.377CS..EExtended strand (participates in β ladder)trans-109.7146.7171.6-56.2-175.8000109.7A730 P914 F915 E984 L995 I999 F1001A730-L986 HydrophobicContact CB-CD1 4.46Å; P914-L986 HydrophobicContact CB-CB 4.14Å; P914-L986 HydrophobicContact CB-CD1 4.2Å; P914-L986 HydrophobicContact CG-CD1 4.39Å; F915-L986 CarbonylContact O-C 3.49Å; F915-L986 WeakPolarHBondContact O-CA 2.77Å; E984-L986 HydrophobicContact CB-CD2 4.42Å; L986-L995 HydrophobicContact CB-CD1 4.1Å; L986-L995 WeakPolarHBondContact O-CG 3.24Å; L986-L995 PolarHBondContact O-N 3.48Å; L986-I999 HydrophobicContact CB-CG1 4.39Å; L986-I999 HydrophobicContact CD1-CB 3.65Å; L986-I999 HydrophobicContact CD1-CG1 3.91Å; L986-I999 HydrophobicContact CD1-CG2 3.69Å; L986-I999 HydrophobicContact CG-CB 3.98Å; L986-I999 HydrophobicContact CG-CG1 4.16Å; L986-F1001 HydrophobicContact CD1-CD2 4.13Å; L986-F1001 HydrophobicContact CD2-CD2 4.44Å; L986-F1001 HydrophobicContact CD2-CG 4.42Å
987Y96.6Very high94.1Very high75 Ų7566 Ų6629%0.29438%0.382SS..EExtended strand (participates in β ladder)trans-98.5138.9172.6-63.8-94.2000109.1P914 F915 T917 G989 P994P914-Y987 CarbonylContact C-O 3.5Å; P914-Y987 WeakPolarHBondContact CA-O 3.25Å; P914-Y987 WeakPolarHBondContact CB-O 3.25Å; F915-Y987 HydrophobicContact CD2-CD2 4.42Å; F915-Y987 HydrophobicContact CE2-CD2 4Å; F915-Y987 HydrophobicContact CE2-CG 4.06Å; F915-Y987 VanDerWaalsContact CZ-CB 3.43Å; F915-Y987 HydrophobicContact CZ-CD2 4.46Å; F915-Y987 HydrophobicContact CZ-CG 4.06Å; F915-Y987 PolarHBondContact N-O 2.57Å; F915-Y987 PolarHBondContact O-N 2.7Å; T917-Y987 HydrophobicContact CG2-CE2 3.94Å; Y987-G989 PolarHBondContact O-N 3.36Å; Y987-P994 HydrophobicContact CD1-CB 4.02Å; Y987-P994 HydrophobicContact CE1-CB 3.92Å; Y987-P994 HydrophobicContact CE1-CG 4.44Å
988S95.3Very high94.3Very high19 Ų1968.7 Ų68.713%0.13337%0.373CS..  trans-65.8123.3174.6174.50000110V990 T991 G992 A993S988-V990 PolarHBondContact O-N 3.16Å; S988-V990 PolarHBondContact OG-N 2.82Å; S988-T991 WeakPolarHBondContact CB-OG1 3.09Å; S988-T991 PolarHBondContact OG-N 3.03Å; S988-T991 PolarHBondContact OG-OG1 2.99Å; S988-T991 VanDerWaalsContact OG-OG1 3.07Å; S988-G992 VanDerWaalsContact O-CA 3.23Å; S988-G992 WeakPolarHBondContact O-CA 3.48Å; S988-G992 PolarHBondContact O-N 2.94Å; S988-A993 WeakPolarHBondContact CB-O 3.41Å; S988-A993 PolarHBondContact N-O 3.17Å
989G93.5Very high94.5Very high23 Ų2366.4 Ų66.424%0.23737%0.365CS..THydrogen-bonded Turntrans-63.3-27.4173.900000113.1E911 L913 Y987E911-G989 CarbonylContact O-C 3.57Å; E911-G989 VanDerWaalsContact O-CA 3.3Å; E911-G989 WeakPolarHBondContact O-CA 3.45Å; L913-G989 WeakPolarHBondContact O-CA 3.47Å; Y987-G989 PolarHBondContact O-N 3.36Å
990V93.9Very high94.6Very high98 Ų9864.2 Ų64.259%0.59435%0.354SS*.THydrogen-bonded Turntrans-79-42.5-177.9-1780000112.4S988S988-V990 PolarHBondContact O-N 3.16Å; S988-V990 PolarHBondContact OG-N 2.82Å
991T94.9Very high94.7Very high101 Ų10158.8 Ų58.862%0.6233%0.333SS*.THydrogen-bonded Turntrans-108.6-15.8-172.457.90000113.6S988 A993S988-T991 WeakPolarHBondContact CB-OG1 3.09Å; S988-T991 PolarHBondContact OG-N 3.03Å; S988-T991 PolarHBondContact OG-OG1 2.99Å; S988-T991 VanDerWaalsContact OG-OG1 3.07Å; T991-A993 PolarHBondContact O-N 3.38Å; T991-A993 VanDerWaalsContact O-N 3.16Å
992G92.8Very high94.7Very high47 Ų4755.6 Ų55.649%0.48532%0.316SS..  trans72.5-8.2-171.900000114.6S988S988-G992 VanDerWaalsContact O-CA 3.23Å; S988-G992 WeakPolarHBondContact O-CA 3.48Å; S988-G992 PolarHBondContact O-N 2.94Å
993A95Very high95Very high46 Ų4656.5 Ų56.538%0.3832%0.323SS..PPolyproline II helixtrans-77.2147.9-179.800000111.5S988 T991S988-A993 WeakPolarHBondContact CB-O 3.41Å; S988-A993 PolarHBondContact N-O 3.17Å; T991-A993 PolarHBondContact O-N 3.38Å; T991-A993 VanDerWaalsContact O-N 3.16Å
994P95.4Very high95.1Very high79 Ų7952.4 Ų52.451%0.51331%0.305SS..BIsolated β-bridgetrans-61.8140.6169.628-34000110I985 Y987I985-P994 HydrophobicContact CG2-CB 4.36Å; Y987-P994 HydrophobicContact CD1-CB 4.02Å; Y987-P994 HydrophobicContact CE1-CB 3.92Å; Y987-P994 HydrophobicContact CE1-CG 4.44Å
995L94.7Very high95.2Very high48 Ų4851.6 Ų51.625%0.25130%0.301SS..PPolyproline II helixtrans-68.2141.4171.7-62178.8000109.8M732 P914 L986 A997 I999M732-L995 HydrophobicContact CE-CD1 3.68Å; M732-L995 HydrophobicContact SD-CD1 4.14Å; P914-L995 HydrophobicContact CB-CD1 4.38Å; L986-L995 HydrophobicContact CB-CD1 4.1Å; L986-L995 WeakPolarHBondContact O-CG 3.24Å; L986-L995 PolarHBondContact O-N 3.48Å; L995-A997 VanDerWaalsContact C-N 3.25Å; L995-A997 PolarHBondContact O-N 2.88Å; L995-I999 HydrophobicContact CD1-CD1 4.13Å; L995-I999 HydrophobicContact CD1-CG1 3.77Å
996E94.6Very high95.3Very high208 Ų20848.3 Ų48.397%0.97228%0.284SS*.SBendtrans-63.5-31.1-177.6-64.2-177.6171.500113.1
997A95.1Very high95.3Very high62 Ų6248.5 Ų48.551%0.51228%0.284SS..SBendtrans-106.7143.8-179.600000111.8L995 I999L995-A997 VanDerWaalsContact C-N 3.25Å; L995-A997 PolarHBondContact O-N 2.88Å; A997-I999 WeakPolarHBondContact O-CD1 3.23Å; A997-I999 PolarHBondContact O-N 3.06Å
998F95.5Very high95.3Very high128 Ų12845 Ų4556%0.56127%0.271SS*.PPolyproline II helixtrans-67128.5169.9-56.5-74.6000110.8K983 I985K983-F998 HydrophobicContact CB-CB 3.9Å; K983-F998 HydrophobicContact CD-CB 4.04Å; I985-F998 HydrophobicContact CD1-CE1 4.02Å; I985-F998 HydrophobicContact CG1-CD1 3.68Å; I985-F998 HydrophobicContact CG1-CE1 3.53Å
999I96.1Very high95.3Very high14 Ų1444.3 Ų44.37%0.07227%0.266CS..EExtended strand (participates in β ladder)trans-95.5136.3-177-55.4-49.9000109.6A730 M732 K983 E984 L986 L995 A997 F1001A730-I999 HydrophobicContact CB-CG2 4.13Å; M732-I999 HydrophobicContact CB-CD1 3.94Å; M732-I999 HydrophobicContact CB-CG2 4.11Å; M732-I999 HydrophobicContact CG-CG2 4.43Å; M732-I999 HydrophobicContact SD-CD1 4.5Å; M732-I999 HydrophobicContact SD-CG1 4.37Å; M732-I999 HydrophobicContact SD-CG2 4.36Å; K983-I999 CarbonylContact C-O 3.58Å; K983-I999 VanDerWaalsContact CA-O 3.32Å; K983-I999 WeakPolarHBondContact CA-O 3.13Å; E984-I999 PolarHBondContact N-O 3.32Å; E984-I999 PolarHBondContact O-N 3.26Å; L986-I999 HydrophobicContact CB-CG1 4.39Å; L986-I999 HydrophobicContact CD1-CB 3.65Å; L986-I999 HydrophobicContact CD1-CG1 3.91Å; L986-I999 HydrophobicContact CD1-CG2 3.69Å; L986-I999 HydrophobicContact CG-CB 3.98Å; L986-I999 HydrophobicContact CG-CG1 4.16Å; L995-I999 HydrophobicContact CD1-CD1 4.13Å; L995-I999 HydrophobicContact CD1-CG1 3.77Å; A997-I999 WeakPolarHBondContact O-CD1 3.23Å; A997-I999 PolarHBondContact O-N 3.06Å; I999-F1001 PolarHBondContact O-N 3.41Å
1000Y95.8Very high95.3Very high33 Ų3346.7 Ų46.713%0.12927%0.27CS..EExtended strand (participates in β ladder)trans-78.9117173.7-165.6-134.8000109.6I731 L940 V943 L944 L981 K983I731-Y1000 HydrophobicContact CD1-CD1 3.67Å; I731-Y1000 HydrophobicContact CD1-CE1 4.41Å; I731-Y1000 HydrophobicContact CG1-CD1 4.33Å; I731-Y1000 PolarHBondContact N-O 2.79Å; L940-Y1000 HydrophobicContact CB-CE1 4.13Å; L940-Y1000 HydrophobicContact CD2-CD1 3.89Å; L940-Y1000 HydrophobicContact CD2-CE1 3.75Å; L940-Y1000 PolarHBondContact O-OH 3.02Å; V943-Y1000 HydrophobicContact CB-CD1 4.44Å; V943-Y1000 HydrophobicContact CB-CE1 3.59Å; V943-Y1000 HydrophobicContact CG1-CD1 4.14Å; V943-Y1000 HydrophobicContact CG1-CE1 3.61Å; V943-Y1000 HydrophobicContact CG1-CE2 4.01Å; V943-Y1000 HydrophobicContact CG2-CE1 3.95Å; L944-Y1000 PolarHBondContact N-OH 3.47Å; L981-Y1000 WeakPolarHBondContact O-CD2 3.45Å; L981-Y1000 WeakPolarHBondContact O-CE2 3.43Å; K983-Y1000 HydrophobicContact CG-CD2 3.99Å
1001F94.7Very high95.2Very high3 Ų344.8 Ų44.81%0.01325%0.254CS..EExtended strand (participates in β ladder)trans-137.3125.2-162.9-171.1-106.7000111V728 V729 A730 L920 P922 K947 E984 L986 I999V728-F1001 HydrophobicContact CG1-CD2 4.43Å; V728-F1001 HydrophobicContact CG1-CE1 3.77Å; V728-F1001 HydrophobicContact CG1-CE2 3.63Å; V728-F1001 HydrophobicContact CG1-CZ 3.25Å; V729-F1001 WeakPolarHBondContact O-CA 3.25Å; A730-F1001 HydrophobicContact CB-CD2 3.87Å; A730-F1001 HydrophobicContact CB-CE2 4.24Å; L920-F1001 HydrophobicContact CB-CE1 3.89Å; L920-F1001 HydrophobicContact CB-CZ 3.97Å; L920-F1001 HydrophobicContact CD1-CE1 4.26Å; P922-F1001 HydrophobicContact CB-CE2 4.1Å; K947-F1001 PolarHBondContact NZ-O 3.41Å; E984-F1001 HydrophobicContact CB-CB 4.49Å; L986-F1001 HydrophobicContact CD1-CD2 4.13Å; L986-F1001 HydrophobicContact CD2-CD2 4.44Å; L986-F1001 HydrophobicContact CD2-CG 4.42Å; I999-F1001 PolarHBondContact O-N 3.41Å
1002G94.7Very high95.2Very high3 Ų340.1 Ų40.13%0.03123%0.225CC..EExtended strand (participates in β ladder)trans174.3171.3176.600000113.9V729V729-G1002 PolarHBondContact N-O 3.4Å; V729-G1002 PolarHBondContact O-N 3.32Å; V729-G1002 VanDerWaalsContact O-N 3.14Å
1003P96.2Very high95.2Very high20 Ų2039.9 Ų39.913%0.1321%0.214CC..EExtended strand (participates in β ladder)trans-71.2139.1-179.826.8-31000111.8L707 A727 S946 A950L707-P1003 HydrophobicContact CD1-CB 3.95Å; L707-P1003 HydrophobicContact CD1-CG 3.91Å; A727-P1003 CarbonylContact O-C 3.57Å; A727-P1003 WeakPolarHBondContact O-CA 3.28Å; S946-P1003 WeakPolarHBondContact CB-O 3.49Å; A950-P1003 HydrophobicContact CB-CG 4.34Å
1004V96.6Very high95.1Very high0 Ų038.7 Ų38.70%020%0.201CC..EExtended strand (participates in β ladder)trans-136.9141174.6-179.80000109.5A727 V729 V943 Y1006A727-V1004 PolarHBondContact N-O 3.25Å; A727-V1004 PolarHBondContact O-N 3.45Å; V729-V1004 HydrophobicContact CB-CB 4.48Å; V729-V1004 HydrophobicContact CB-CG2 4.13Å; V729-V1004 HydrophobicContact CG2-CB 3.93Å; V729-V1004 HydrophobicContact CG2-CG2 4.13Å; V943-V1004 HydrophobicContact CB-CG2 4.34Å; V943-V1004 HydrophobicContact CG2-CG2 3.3Å; V1004-Y1006 HydrophobicContact CB-CD2 4.15Å; V1004-Y1006 HydrophobicContact CB-CE2 4.05Å; V1004-Y1006 HydrophobicContact CG1-CD2 3.96Å; V1004-Y1006 HydrophobicContact CG1-CE2 3.79Å; V1004-Y1006 PolarHBondContact O-N 2.77Å
1005Y97Very high94.8Very high1 Ų137.1 Ų37.10%0.00419%0.188CC..EExtended strand (participates in β ladder)trans-77113.2177.5-164.8-98.9000112Q704 P706 P722 A723 G724 N726 R897 Q1007Q704-Y1005 WeakPolarHBondContact O-CE2 3.45Å; Q704-Y1005 PolarHBondContact O-OH 3.22Å; P706-Y1005 HydrophobicContact CB-CD2 3.9Å; P706-Y1005 HydrophobicContact CB-CE2 4.19Å; P706-Y1005 HydrophobicContact CB-CG 4.13Å; P706-Y1005 HydrophobicContact CG-CD1 4.41Å; P706-Y1005 HydrophobicContact CG-CD2 3.99Å; P706-Y1005 HydrophobicContact CG-CE1 4.21Å; P706-Y1005 HydrophobicContact CG-CE2 3.81Å; P706-Y1005 HydrophobicContact CG-CG 4.25Å; P722-Y1005 WeakPolarHBondContact CB-OH 3.09Å; A723-Y1005 PolarHBondContact N-OH 3.04Å; G724-Y1005 VanDerWaalsContact CA-CZ 3.48Å; G724-Y1005 VanDerWaalsContact CA-OH 3.29Å; G724-Y1005 WeakPolarHBondContact CA-OH 3.33Å; G724-Y1005 PolarHBondContact N-OH 3.07Å; G724-Y1005 PolarHBondContact O-OH 3.13Å; N726-Y1005 WeakPolarHBondContact OD1-CD2 3.36Å; R897-Y1005 VanDerWaalsContact CD-CD1 3.46Å; R897-Y1005 HydrophobicContact CG-CD1 3.95Å; Y1005-Q1007 HydrophobicContact CD1-CG 4.2Å; Y1005-Q1007 HydrophobicContact CE1-CG 4.03Å
1006Y97.1Very high94.6Very high7 Ų740.1 Ų40.13%0.02720%0.199CC..EExtended strand (participates in β ladder)trans-108.3141.8177.4-92.9-100.5000112.2G724 Q725 A727 V729 L743 F894 I924 K939 V1004G724-Y1006 CarbonylContact C-O 3.55Å; G724-Y1006 VanDerWaalsContact CA-O 3.22Å; G724-Y1006 WeakPolarHBondContact CA-O 3.25Å; Q725-Y1006 PolarHBondContact N-O 3.39Å; Q725-Y1006 PolarHBondContact O-N 3.12Å; A727-Y1006 HydrophobicContact CB-CD2 4.32Å; V729-Y1006 HydrophobicContact CG2-CD2 4.13Å; V729-Y1006 HydrophobicContact CG2-CE2 3.67Å; L743-Y1006 HydrophobicContact CD1-CE1 3.96Å; F894-Y1006 HydrophobicContact CB-CD1 4.23Å; I924-Y1006 HydrophobicContact CD1-CD1 3.81Å; I924-Y1006 HydrophobicContact CD1-CD2 4.15Å; I924-Y1006 HydrophobicContact CD1-CE1 4.13Å; I924-Y1006 HydrophobicContact CD1-CE2 4.46Å; I924-Y1006 HydrophobicContact CD1-CG 3.79Å; K939-Y1006 PolarHBondContact NZ-OH 3.05Å; V1004-Y1006 HydrophobicContact CB-CD2 4.15Å; V1004-Y1006 HydrophobicContact CB-CE2 4.05Å; V1004-Y1006 HydrophobicContact CG1-CD2 3.96Å; V1004-Y1006 HydrophobicContact CG1-CE2 3.79Å; V1004-Y1006 PolarHBondContact O-N 2.77Å
1007Q95.8Very high94.3Very high3 Ų333.8 Ų33.81%0.01417%0.174CC..EExtended strand (participates in β ladder)trans-112.9125.9-179.8-59.4-179.5-2500109.4A681 A723 F894 S895 Y1005A681-Q1007 HydrophobicContact CB-CB 3.88Å; A681-Q1007 HydrophobicContact CB-CG 4.26Å; A723-Q1007 WeakPolarHBondContact O-CG 3.32Å; F894-Q1007 CarbonylContact C-O 3.51Å; F894-Q1007 WeakPolarHBondContact CA-O 3.35Å; S895-Q1007 PolarHBondContact N-O 2.81Å; S895-Q1007 PolarHBondContact O-N 2.87Å; Y1005-Q1007 HydrophobicContact CD1-CG 4.2Å; Y1005-Q1007 HydrophobicContact CE1-CG 4.03Å
1008R95.9Very high94Very high2 Ų233.6 Ų33.61%0.00816%0.163CC..EExtended strand (participates in β ladder)trans-81.3127169.2-172175.4-179.6-172.2-1108.6A681 I682 M700 A755 R886 R887 D892 F894A681-R1008 WeakPolarHBondContact CA-O 3.49Å; I682-R1008 HydrophobicContact CD1-CG 4.36Å; I682-R1008 PolarHBondContact N-O 2.7Å; M700-R1008 HydrophobicContact CE-CB 4.12Å; A755-R1008 HydrophobicContact CB-CB 4.49Å; A755-R1008 VanDerWaalsContact O-CD 3.24Å; A755-R1008 WeakPolarHBondContact O-CD 3.04Å; A755-R1008 PolarHBondContact O-NH1 3Å; R886-R1008 PolarHBondContact O-NH1 2.96Å; R887-R1008 PolarHBondContact O-NH2 2.97Å; D892-R1008 IonicContact OD2-CZ 2.74Å; D892-R1008 IonicContact OD2-NE 2.73Å; D892-R1008 IonicContact OD2-NH2 3.94Å; D892-R1008 PolarHBondContact OD2-NH2 3.41Å; F894-R1008 HydrophobicContact CD1-CB 4.23Å; F894-R1008 HydrophobicContact CE1-CB 3.89Å; F894-R1008 HydrophobicContact CE1-CG 4.11Å; F894-R1008 HydrophobicContact CZ-CB 4.35Å; F894-R1008 HydrophobicContact CZ-CG 4.05Å
1009L95.5Very high93.6Very high5 Ų531.9 Ų31.93%0.02617%0.173CC..BIsolated β-bridgetrans-89.8156.8-178.3-55.7-176.4000111.1M677 K893 H1011M677-L1009 HydrophobicContact CB-CD2 4.3Å; M677-L1009 HydrophobicContact CG-CD1 4.49Å; K893-L1009 HydrophobicContact CB-CB 4.19Å; K893-L1009 HydrophobicContact CB-CD1 4.17Å; K893-L1009 PolarHBondContact O-N 2.91Å; L1009-H1011 PolarHBondContact O-N 2.82Å
1010K93.5Very high93.2Very high73 Ų7334.3 Ų34.332%0.31718%0.181SC..SBendtrans-57.8-18.4176.172.5176.8-179.8-179.30115.4L433 Q680 M1012L433-K1010 HydrophobicContact CD1-CD 3.8Å; L433-K1010 HydrophobicContact CD2-CD 4.22Å; Q680-K1010 HydrophobicContact CB-CG 4.38Å; Q680-K1010 PolarHBondContact O-N 2.77Å; K1010-M1012 VanDerWaalsContact C-N 3.34Å; K1010-M1012 PolarHBondContact O-N 3.48Å
1011H92.7Very high92.9Very high58 Ų5838.6 Ų38.627%0.26922%0.216SC..  trans-82.578.8-173.3-69.6-59.9000110.9Q680 K893 L1009Q680-H1011 PolarHBondContact OE1-CD2 3.14Å; Q680-H1011 PolarHBondContact OE1-NE2 3.37Å; K893-H1011 HydrophobicContact CB-CB 4.39Å; K893-H1011 HydrophobicContact CD-CB 3.99Å; K893-H1011 HydrophobicContact CG-CB 4.29Å; K893-H1011 PolarHBondContact N-O 2.87Å; L1009-H1011 PolarHBondContact O-N 2.82Å
1012M94Very high92.5Very high2 Ų249.6 Ų49.61%0.0126%0.257CS..  trans-86.4148.5174.6-67.4164.3-78.800111.5I682 V759 R886 D892 K1010 D1015I682-M1012 HydrophobicContact CD1-CE 4.34Å; V759-M1012 HydrophobicContact CG2-CE 3.74Å; V759-M1012 HydrophobicContact CG2-SD 4.3Å; R886-M1012 HydrophobicContact CB-SD 4.34Å; R886-M1012 VanDerWaalsContact CD-SD 3.52Å; R886-M1012 VanDerWaalsContact NH1-CE 3.25Å; R886-M1012 PolarHBondContact NH1-SD 3.12Å; D892-M1012 WeakPolarHBondContact OD1-CA 3.2Å; D892-M1012 WeakPolarHBondContact OD1-CB 3.44Å; K1010-M1012 VanDerWaalsContact C-N 3.34Å; K1010-M1012 PolarHBondContact O-N 3.48Å; M1012-D1015 PolarHBondContact O-N 3.02Å
1013V94Very high92.2Very high42 Ų4250.8 Ų50.826%0.25527%0.269SS..SBendtrans-65.3-39.3-178.663.10000111.7E889 V890 D892 D1015 K1016 V1017E889-V1013 HydrophobicContact CG-CG1 3.55Å; E889-V1013 WeakPolarHBondContact OE1-CG1 3.42Å; V890-V1013 WeakPolarHBondContact O-CG1 3.24Å; D892-V1013 PolarHBondContact OD1-N 2.87Å; V1013-D1015 PolarHBondContact O-N 2.89Å; V1013-D1015 VanDerWaalsContact O-N 3.13Å; V1013-K1016 CarbonylContact O-C 3.59Å; V1013-K1016 WeakPolarHBondContact O-CA 3.49Å; V1013-K1016 PolarHBondContact O-N 2.97Å; V1013-V1017 HydrophobicContact CG2-CG2 4.05Å; V1013-V1017 WeakPolarHBondContact O-CG2 3.37Å; V1013-V1017 PolarHBondContact O-N 2.76Å
1014M91.3Very high91.9Very high21 Ų2152.7 Ų52.710%0.10328%0.281CS..THydrogen-bonded Turntrans-53.1-34.3174.3-169.7-175.1-63.500114.2E859 R886 K1016 R1036E859-M1014 HydrophobicContact CB-SD 4.31Å; E859-M1014 HydrophobicContact CG-CE 3.9Å; E859-M1014 HydrophobicContact CG-SD 3.98Å; E859-M1014 VanDerWaalsContact OE1-CE 3.24Å; E859-M1014 WeakPolarHBondContact OE1-CE 3.23Å; E859-M1014 WeakPolarHBondContact OE2-CE 3.19Å; R886-M1014 HydrophobicContact CG-SD 4.49Å; M1014-K1016 VanDerWaalsContact C-N 3.29Å; M1014-K1016 PolarHBondContact O-N 2.93Å; M1014-R1036 PolarHBondContact O-NH1 2.63Å; M1014-R1036 PolarHBondContact O-NH2 2.86Å; M1014-R1036 VanDerWaalsContact O-NH2 3.08Å
1015D89.9Confident91.7Very high46 Ų4656.3 Ų56.325%0.24630%0.303CS..THydrogen-bonded Turntrans-82.3-6.3176.9-74.5-20.7000113.6R761 R886 M1012 V1013 R1036R761-D1015 IonicContact CZ-OD1 2.67Å; R761-D1015 IonicContact NH2-OD1 3.02Å; R761-D1015 PolarHBondContact NH2-OD1 3.17Å; R761-D1015 IonicContact NH2-OD2 2.67Å; R886-D1015 IonicContact CZ-OD1 3.31Å; R886-D1015 IonicContact CZ-OD2 3.54Å; R886-D1015 IonicContact NH1-OD1 2.92Å; R886-D1015 PolarHBondContact NH1-OD1 2.71Å; R886-D1015 VanDerWaalsContact NH1-OD1 3.1Å; R886-D1015 IonicContact NH1-OD2 3.89Å; R886-D1015 PolarHBondContact NH1-OD2 3.17Å; R886-D1015 IonicContact NH2-OD1 3.42Å; R886-D1015 PolarHBondContact NH2-OD1 3.05Å; R886-D1015 IonicContact NH2-OD2 3.45Å; M1012-D1015 PolarHBondContact O-N 3.02Å; V1013-D1015 PolarHBondContact O-N 2.89Å; V1013-D1015 VanDerWaalsContact O-N 3.13Å; D1015-R1036 PolarHBondContact O-NH1 2.8Å
1016K90Very high91.5Very high112 Ų11258.4 Ų58.449%0.48732%0.316SS..THydrogen-bonded Turntrans-112.3-23.9178.8-67.8-172175-171.20114.6V1013 M1014 H1018V1013-K1016 CarbonylContact O-C 3.59Å; V1013-K1016 WeakPolarHBondContact O-CA 3.49Å; V1013-K1016 PolarHBondContact O-N 2.97Å; M1014-K1016 VanDerWaalsContact C-N 3.29Å; M1014-K1016 PolarHBondContact O-N 2.93Å; K1016-H1018 PolarHBondContact O-N 2.77Å; K1016-H1018 VanDerWaalsContact O-N 3.16Å
1017V89.2Confident91.3Very high74 Ų7462.8 Ų62.845%0.44835%0.354SS..  trans-55.4122.7176172.30000109.5I858 V1013 R1036I858-V1017 HydrophobicContact CD1-CB 4.22Å; I858-V1017 HydrophobicContact CD1-CG1 4.04Å; V1013-V1017 HydrophobicContact CG2-CG2 4.05Å; V1013-V1017 WeakPolarHBondContact O-CG2 3.37Å; V1013-V1017 PolarHBondContact O-N 2.76Å; V1017-R1036 PolarHBondContact O-NE 2.63Å; V1017-R1036 VanDerWaalsContact O-NE 3.15Å; V1017-R1036 PolarHBondContact O-NH2 2.9Å
1018H88.2Confident91.2Very high59 Ų5968.3 Ų68.327%0.27338%0.383SS..  trans-147.9125.5179.7177.445.4000108.9K1016 R1036 G1040K1016-H1018 PolarHBondContact O-N 2.77Å; K1016-H1018 VanDerWaalsContact O-N 3.16Å; H1018-R1036 HydrophobicContact CB-CG 4.38Å; H1018-G1040 PolarHBondContact CE1-O 3.16Å; H1018-G1040 PolarHBondContact NE2-O 3.32Å
1019A87.8Confident91.2Very high92 Ų9270 Ų7076%0.7639%0.394SS*.  trans-137.9147.5176.100000109
1020R87.1Confident91Very high65 Ų6575.1 Ų75.125%0.24541%0.413CS..  trans-137.2125.9172.9175.6-176.6173.7122.8-3.4108.6G1023 P1024 P1032 T1033 E1039 G1040 G1041R1020-G1023 PolarHBondContact NH2-O 3.41Å; R1020-G1023 VanDerWaalsContact NH2-O 3.12Å; R1020-P1024 PolarHBondContact NH1-O 2.88Å; R1020-P1024 PolarHBondContact NH2-O 3.22Å; R1020-P1032 VanDerWaalsContact CZ-CB 3.48Å; R1020-T1033 PolarHBondContact NH1-OG1 2.73Å; R1020-E1039 WeakPolarHBondContact CD-O 3.41Å; R1020-E1039 PolarHBondContact NH1-O 3.22Å; R1020-G1040 WeakPolarHBondContact CB-O 3.46Å; R1020-G1040 VanDerWaalsContact CD-C 3.48Å; R1020-G1040 WeakPolarHBondContact CD-O 3.39Å; R1020-G1041 VanDerWaalsContact CD-CA 3.43Å
1021S88.6Confident91Very high123 Ų12375.1 Ų75.186%0.8641%0.414SS*.SBendtrans-92.6-70.8169.353.30000109.8
1022R87.4Confident91.1Very high234 Ų23474.3 Ų74.388%0.88341%0.414SS*.SBendtrans-133.9150.8166.8-69.8-179.2172.9175.2-2107.4
1023G88.2Confident91Very high27 Ų2775.1 Ų75.128%0.27842%0.418SS..  trans-163.7-176.8-174.900000111.8R1020R1020-G1023 PolarHBondContact NH2-O 3.41Å; R1020-G1023 VanDerWaalsContact NH2-O 3.12Å
1024P90.8Very high90.7Very high60 Ų6080.4 Ų80.439%0.3944%0.441SS..  trans-57.8148.5177.126.2-34.2000110.7R1020 T1033 R1038 E1039R1020-P1024 PolarHBondContact NH1-O 2.88Å; R1020-P1024 PolarHBondContact NH2-O 3.22Å; P1024-T1033 HydrophobicContact CB-CG2 4.32Å; P1024-T1033 HydrophobicContact CG-CG2 4.32Å; P1024-T1033 PolarHBondContact O-N 3.23Å; P1024-T1033 PolarHBondContact O-OG1 3.34Å; P1024-R1038 WeakPolarHBondContact CG-O 3.14Å; P1024-E1039 HydrophobicContact CG-CB 4.34Å
1025V92.3Very high90.4Very high76 Ų7681.3 Ų81.346%0.46146%0.455SS..BIsolated β-bridgetrans-114.3153.9175.1-66.20000109.7Q1031V1025-Q1031 CarbonylContact C-O 3.28Å; V1025-Q1031 WeakPolarHBondContact CA-O 3.43Å; V1025-Q1031 WeakPolarHBondContact CB-O 3.46Å
1026T93Very high90Very high45 Ų4583.8 Ų83.828%0.27646%0.461SS..  trans-62.4137.9171.958.70000109.5L1028 T1029 R1030 Q1031 T1033T1026-L1028 VanDerWaalsContact C-N 3.28Å; T1026-L1028 PolarHBondContact O-N 2.98Å; T1026-T1029 PolarHBondContact OG1-OG1 3.32Å; T1026-R1030 WeakPolarHBondContact O-CA 3.45Å; T1026-R1030 PolarHBondContact O-N 3.15Å; T1026-R1030 PolarHBondContact OG1-N 2.85Å; T1026-Q1031 PolarHBondContact N-O 3.24Å; T1026-Q1031 PolarHBondContact OG1-N 2.82Å; T1026-Q1031 PolarHBondContact OG1-O 3.1Å; T1026-T1033 HydrophobicContact CG2-CG2 4.39Å
1027A92.5Very high89.6Confident100 Ų10083.5 Ų83.583%0.82647%0.473SS*.THydrogen-bonded Turntrans-64.5-34.6-178.200000112.6
1028L94.1Very high89.3Confident119 Ų11988.3 Ų88.362%0.62348%0.483SS*.THydrogen-bonded Turntrans-75-60.4-176.8-179.364.7000112.5T1026 Y1106 L1110T1026-L1028 VanDerWaalsContact C-N 3.28Å; T1026-L1028 PolarHBondContact O-N 2.98Å; L1028-Y1106 WeakPolarHBondContact O-CE1 3.04Å; L1028-L1110 HydrophobicContact CD1-CD2 4.44Å; L1028-L1110 HydrophobicContact CG-CD2 4.4Å
1029T94.4Very high89Confident37 Ų3790.3 Ų90.323%0.22749%0.493CS..THydrogen-bonded Turntrans-93-9.7-173.357.90000113.5T1026 Q1031 Y1106 L1110T1026-T1029 PolarHBondContact OG1-OG1 3.32Å; T1029-Q1031 PolarHBondContact O-N 3.39Å; T1029-Q1031 VanDerWaalsContact O-N 3.14Å; T1029-Q1031 PolarHBondContact OG1-OE1 3.09Å; T1029-Y1106 WeakPolarHBondContact O-CD1 3.48Å; T1029-L1110 HydrophobicContact CG2-CD2 4.33Å
1030R93.1Very high89Confident113 Ų11385.9 Ų85.943%0.42646%0.457SS..  trans55.123-173-59.6-171.6179.1-167.3-2.6114T1026 Y1106T1026-R1030 WeakPolarHBondContact O-CA 3.45Å; T1026-R1030 PolarHBondContact O-N 3.15Å; T1026-R1030 PolarHBondContact OG1-N 2.85Å; R1030-Y1106 HydrophobicContact CB-CD1 3.91Å; R1030-Y1106 HydrophobicContact CB-CE1 4.32Å; R1030-Y1106 HydrophobicContact CB-CG 4.2Å; R1030-Y1106 HydrophobicContact CG-CD1 3.85Å; R1030-Y1106 HydrophobicContact CG-CE1 3.76Å; R1030-Y1106 HydrophobicContact CG-CE2 4.45Å; R1030-Y1106 HydrophobicContact CG-CG 4.25Å
1031Q93Very high88.9Confident72 Ų7283.9 Ų83.934%0.33646%0.456SS..PPolyproline II helixtrans-90159.4175.1-70.6172.7-16.600110.5V1025 T1026 T1029 T1033 D1070V1025-Q1031 CarbonylContact C-O 3.28Å; V1025-Q1031 WeakPolarHBondContact CA-O 3.43Å; V1025-Q1031 WeakPolarHBondContact CB-O 3.46Å; T1026-Q1031 PolarHBondContact N-O 3.24Å; T1026-Q1031 PolarHBondContact OG1-N 2.82Å; T1026-Q1031 PolarHBondContact OG1-O 3.1Å; T1029-Q1031 PolarHBondContact O-N 3.39Å; T1029-Q1031 VanDerWaalsContact O-N 3.14Å; T1029-Q1031 PolarHBondContact OG1-OE1 3.09Å; Q1031-T1033 PolarHBondContact O-N 3.09Å; Q1031-D1070 HydrophobicContact CG-CB 4.21Å
1032P93.4Very high89.1Confident42 Ų4285.5 Ų85.527%0.27345%0.454SS..BIsolated β-bridgetrans-46.5138169.5-31.538.3000113.4R1020R1020-P1032 VanDerWaalsContact CZ-CB 3.48Å
1033T92.7Very high89.3Confident18 Ų1884 Ų8411%0.1145%0.449CS..PPolyproline II helixtrans-61.2156.8174.343.20000111.8R1020 P1024 T1026 Q1031 R1038 G1040 G1041R1020-T1033 PolarHBondContact NH1-OG1 2.73Å; P1024-T1033 HydrophobicContact CB-CG2 4.32Å; P1024-T1033 HydrophobicContact CG-CG2 4.32Å; P1024-T1033 PolarHBondContact O-N 3.23Å; P1024-T1033 PolarHBondContact O-OG1 3.34Å; T1026-T1033 HydrophobicContact CG2-CG2 4.39Å; Q1031-T1033 PolarHBondContact O-N 3.09Å; T1033-R1038 PolarHBondContact OG1-O 3.19Å; T1033-G1040 CarbonylContact O-C 3.53Å; T1033-G1040 WeakPolarHBondContact O-CA 3.41Å; T1033-G1040 WeakPolarHBondContact OG1-CA 3.39Å; T1033-G1041 PolarHBondContact O-N 3.25Å
1034E88.6Confident89.5Confident154 Ų15485.5 Ų85.572%0.7245%0.452SS*.SBendtrans-91.4141.8173.3-63.9-177.4168.900111.3
1035G84.4Confident89.6Confident40 Ų4083.3 Ų83.341%0.41244%0.441SS..SBendtrans88.1149.716800000115.7S1037 R1038 G1040G1035-S1037 PolarHBondContact O-N 3.18Å; G1035-R1038 PolarHBondContact O-N 2.88Å; G1035-G1040 WeakPolarHBondContact O-CA 3.32Å; G1035-G1040 PolarHBondContact O-N 2.74Å
1036R82Confident89.7Confident98 Ų9886.3 Ų86.337%0.3745%0.45SS..G310 helixtrans-59.1-40.9-175.9-177.9-179.8176.3-176.85113.4I858 M1014 D1015 V1017 H1018 R1038 E1039I858-R1036 VanDerWaalsContact CD1-NH2 3.32Å; M1014-R1036 PolarHBondContact O-NH1 2.63Å; M1014-R1036 PolarHBondContact O-NH2 2.86Å; M1014-R1036 VanDerWaalsContact O-NH2 3.08Å; D1015-R1036 PolarHBondContact O-NH1 2.8Å; V1017-R1036 PolarHBondContact O-NE 2.63Å; V1017-R1036 VanDerWaalsContact O-NE 3.15Å; V1017-R1036 PolarHBondContact O-NH2 2.9Å; H1018-R1036 HydrophobicContact CB-CG 4.38Å; R1036-R1038 PolarHBondContact O-N 3.46Å; R1036-E1039 PolarHBondContact O-N 3.45Å
1037S80.6Confident89.8Confident106 Ų10691.6 Ų91.674%0.74147%0.473SS*.G310 helixtrans-68.7-18.4-175.855.30000114.3G1035G1035-S1037 PolarHBondContact O-N 3.18Å
1038R82.8Confident89.9Confident174 Ų17491.3 Ų91.366%0.65746%0.455SS*.G310 helixtrans-10720.3178.9-63.8-178.2174.2177.4-1.3112.4P1024 T1033 G1035 R1036 G1040P1024-R1038 WeakPolarHBondContact CG-O 3.14Å; T1033-R1038 PolarHBondContact OG1-O 3.19Å; G1035-R1038 PolarHBondContact O-N 2.88Å; R1036-R1038 PolarHBondContact O-N 3.46Å; R1038-G1040 PolarHBondContact O-N 3.44Å
1039E83.2Confident89.9Confident101 Ų10190 Ų9047%0.47244%0.442SS..THydrogen-bonded Turntrans5338.3-174.7-59.2176.3176.400111.6R1020 P1024 R1036R1020-E1039 WeakPolarHBondContact CD-O 3.41Å; R1020-E1039 PolarHBondContact NH1-O 3.22Å; P1024-E1039 HydrophobicContact CG-CB 4.34Å; R1036-E1039 PolarHBondContact O-N 3.45Å
1040G85.9Confident90Very high0 Ų092 Ų920%045%0.451CS..PPolyproline II helixtrans-67.2164-173.800000114.5H1018 R1020 T1033 G1035 R1038H1018-G1040 PolarHBondContact CE1-O 3.16Å; H1018-G1040 PolarHBondContact NE2-O 3.32Å; R1020-G1040 WeakPolarHBondContact CB-O 3.46Å; R1020-G1040 VanDerWaalsContact CD-C 3.48Å; R1020-G1040 WeakPolarHBondContact CD-O 3.39Å; T1033-G1040 CarbonylContact O-C 3.53Å; T1033-G1040 WeakPolarHBondContact O-CA 3.41Å; T1033-G1040 WeakPolarHBondContact OG1-CA 3.39Å; G1035-G1040 WeakPolarHBondContact O-CA 3.32Å; G1035-G1040 PolarHBondContact O-N 2.74Å; R1038-G1040 PolarHBondContact O-N 3.44Å
1041G86.8Confident90.2Very high23 Ų2389.9 Ų89.924%0.23745%0.453CS..PPolyproline II helixtrans-93.1164.5174.100000112.6R1020 T1033R1020-G1041 VanDerWaalsContact CD-CA 3.43Å; T1033-G1041 PolarHBondContact O-N 3.25Å
1042L91.6Very high90.3Very high157 Ų15788.8 Ų88.882%0.82245%0.447SS*.PPolyproline II helixtrans-77.1144.6164.8-65176.9000109.7
1043R91.6Very high90.4Very high203 Ų20391.4 Ų91.477%0.76646%0.457SS*.PPolyproline II helixtrans-89.2127.8179.2-178.4175.3177.4169.8-2.2110.1
1044V92.4Very high90.6Very high57 Ų5795 Ų9535%0.34549%0.488SS..  trans-88.6109.4161.1178.90000106.7E1048 F1052 L1065V1044-E1048 HydrophobicContact CG1-CB 3.88Å; V1044-F1052 HydrophobicContact CG1-CE2 3.81Å; V1044-L1065 HydrophobicContact CG1-CD2 4.24Å
1045G92.8Very high91Very high15 Ų1597 Ų9716%0.15549%0.491CS..  trans-86.1-172.1-177.800000113.1E1048 R1049G1045-E1048 WeakPolarHBondContact CA-OE2 3.24Å; G1045-E1048 PolarHBondContact N-OE2 2.95Å; G1045-R1049 WeakPolarHBondContact O-CB 3.44Å; G1045-R1049 PolarHBondContact O-N 3.15Å; G1045-R1049 VanDerWaalsContact O-N 3.08Å
1046E94.9Very high91.6Very high139 Ų13997.7 Ų97.765%0.6550%0.499SS*.Hα-helixtrans-67.6-40.2178.1-65.7175.6175.800111.3R1049 D1050E1046-R1049 WeakPolarHBondContact O-CB 3.19Å; E1046-R1049 PolarHBondContact O-N 3.31Å; E1046-D1050 PolarHBondContact O-N 3.12Å
1047M95.9Very high92.2Very high156 Ų15695.5 Ų95.577%0.76850%0.496SS*.Hα-helixtrans-63.7-43.2177.8-65.7-179.2177.900111.6D1050 C1051M1047-D1050 PolarHBondContact O-N 2.99Å; M1047-C1051 PolarHBondContact O-N 2.6Å; M1047-C1051 VanDerWaalsContact O-N 3.14Å; M1047-C1051 PolarHBondContact O-SG 2.91Å; M1047-C1051 VanDerWaalsContact O-SG 3.35Å
1048E94.2Very high92.9Very high93 Ų9394.5 Ų94.544%0.43549%0.489SS..Hα-helixtrans-67.4-37.5177-64.681.1-178.500112.1V1044 G1045 D1050 C1051 F1052V1044-E1048 HydrophobicContact CG1-CB 3.88Å; G1045-E1048 WeakPolarHBondContact CA-OE2 3.24Å; G1045-E1048 PolarHBondContact N-OE2 2.95Å; E1048-D1050 VanDerWaalsContact C-N 3.34Å; E1048-C1051 WeakPolarHBondContact O-CB 3.45Å; E1048-C1051 PolarHBondContact O-N 3.39Å; E1048-F1052 WeakPolarHBondContact O-CD2 3.44Å; E1048-F1052 PolarHBondContact O-N 2.88Å; E1048-F1052 VanDerWaalsContact O-N 3.17Å
1049R94.3Very high93.5Very high93 Ų9392.8 Ų92.835%0.35149%0.489SS..Hα-helixtrans-59.2-46.3172.3178.5-157.169.8-163.4-2.8111G1045 E1046 C1051 F1052 I1053 L1061 L1065G1045-R1049 WeakPolarHBondContact O-CB 3.44Å; G1045-R1049 PolarHBondContact O-N 3.15Å; G1045-R1049 VanDerWaalsContact O-N 3.08Å; E1046-R1049 WeakPolarHBondContact O-CB 3.19Å; E1046-R1049 PolarHBondContact O-N 3.31Å; R1049-C1051 PolarHBondContact O-N 3.41Å; R1049-F1052 WeakPolarHBondContact O-CB 3.3Å; R1049-F1052 PolarHBondContact O-N 3.49Å; R1049-I1053 HydrophobicContact CG-CD1 3.97Å; R1049-I1053 HydrophobicContact CG-CG1 4.48Å; R1049-I1053 WeakPolarHBondContact O-CG1 3.35Å; R1049-I1053 PolarHBondContact O-N 2.98Å; R1049-L1061 HydrophobicContact CG-CD1 4.32Å; R1049-L1065 HydrophobicContact CG-CD1 4.15Å
1050D96.4Very high94.1Very high78 Ų7891 Ų9142%0.41748%0.482SS..Hα-helixtrans-63.2-34-178.5-66.1-10.4000111.2E1046 M1047 E1048 I1053 A1054E1046-D1050 PolarHBondContact O-N 3.12Å; M1047-D1050 PolarHBondContact O-N 2.99Å; E1048-D1050 VanDerWaalsContact C-N 3.34Å; D1050-I1053 PolarHBondContact O-N 3.33Å; D1050-A1054 WeakPolarHBondContact O-CB 3.49Å; D1050-A1054 PolarHBondContact O-N 3.47Å
1051C96.3Very high94.5Very high69 Ų6993.3 Ų93.347%0.46649%0.494SS..Hα-helixtrans-60.3-47.1169.1-65.60000112.3M1047 E1048 R1049 I1053 A1054 Y1055M1047-C1051 PolarHBondContact O-N 2.6Å; M1047-C1051 VanDerWaalsContact O-N 3.14Å; M1047-C1051 PolarHBondContact O-SG 2.91Å; M1047-C1051 VanDerWaalsContact O-SG 3.35Å; E1048-C1051 WeakPolarHBondContact O-CB 3.45Å; E1048-C1051 PolarHBondContact O-N 3.39Å; R1049-C1051 PolarHBondContact O-N 3.41Å; C1051-I1053 VanDerWaalsContact C-N 3.3Å; C1051-I1053 PolarHBondContact O-N 3.21Å; C1051-A1054 PolarHBondContact O-N 3.37Å; C1051-Y1055 WeakPolarHBondContact O-CD2 3.47Å; C1051-Y1055 PolarHBondContact O-N 3.38Å
1052F95Very high94.8Very high48 Ų4895.9 Ų95.921%0.21150%0.502CS..Hα-helixtrans-62.4-38.5178-61.1-41.8000112.6V1044 E1048 R1049 Y1055 G1056 T1057 L1060 L1061V1044-F1052 HydrophobicContact CG1-CE2 3.81Å; E1048-F1052 WeakPolarHBondContact O-CD2 3.44Å; E1048-F1052 PolarHBondContact O-N 2.88Å; E1048-F1052 VanDerWaalsContact O-N 3.17Å; R1049-F1052 WeakPolarHBondContact O-CB 3.3Å; R1049-F1052 PolarHBondContact O-N 3.49Å; F1052-Y1055 PolarHBondContact O-N 3.47Å; F1052-G1056 PolarHBondContact O-N 3.43Å; F1052-T1057 PolarHBondContact O-N 2.67Å; F1052-T1057 PolarHBondContact O-OG1 3.1Å; F1052-L1060 HydrophobicContact CD1-CD2 3.89Å; F1052-L1060 HydrophobicContact CE1-CD2 3.88Å; F1052-L1061 HydrophobicContact CB-CD1 4.41Å
1053I96.4Very high95Very high98 Ų9891.9 Ų91.950%0.50348%0.479SS..Hα-helixtrans-63-44.9174.7-65.1169.3000110.1R1049 D1050 C1051 Y1055 G1056 L1061R1049-I1053 HydrophobicContact CG-CD1 3.97Å; R1049-I1053 HydrophobicContact CG-CG1 4.48Å; R1049-I1053 WeakPolarHBondContact O-CG1 3.35Å; R1049-I1053 PolarHBondContact O-N 2.98Å; D1050-I1053 PolarHBondContact O-N 3.33Å; C1051-I1053 VanDerWaalsContact C-N 3.3Å; C1051-I1053 PolarHBondContact O-N 3.21Å; I1053-Y1055 VanDerWaalsContact C-N 3.32Å; I1053-Y1055 PolarHBondContact O-N 3.12Å; I1053-G1056 PolarHBondContact O-N 3.03Å; I1053-L1061 HydrophobicContact CD1-CD1 4.37Å; I1053-L1061 HydrophobicContact CG1-CD1 3.65Å
1054A97.2Very high95Very high92 Ų9287.2 Ų87.276%0.7646%0.461SS*.Hα-helixtrans-61.8-36.1178.800000113.1D1050 C1051 G1056D1050-A1054 WeakPolarHBondContact O-CB 3.49Å; D1050-A1054 PolarHBondContact O-N 3.47Å; C1051-A1054 PolarHBondContact O-N 3.37Å; A1054-G1056 VanDerWaalsContact C-N 3.27Å; A1054-G1056 PolarHBondContact O-N 2.96Å
1055Y96.8Very high95.1Very high196 Ų19687.5 Ų87.577%0.76946%0.461SS*.Hα-helixtrans-74.5-12.7172.8-79-73.1000113.9C1051 F1052 I1053 T1057C1051-Y1055 WeakPolarHBondContact O-CD2 3.47Å; C1051-Y1055 PolarHBondContact O-N 3.38Å; F1052-Y1055 PolarHBondContact O-N 3.47Å; I1053-Y1055 VanDerWaalsContact C-N 3.32Å; I1053-Y1055 PolarHBondContact O-N 3.12Å; Y1055-T1057 VanDerWaalsContact C-N 3.29Å; Y1055-T1057 PolarHBondContact O-N 3.02Å
1056G95.5Very high95.2Very high56 Ų5687.8 Ų87.858%0.57746%0.458SS*.THydrogen-bonded Turntrans71.817.9-176.100000114.5F1052 I1053 A1054 S1058F1052-G1056 PolarHBondContact O-N 3.43Å; I1053-G1056 PolarHBondContact O-N 3.03Å; A1054-G1056 VanDerWaalsContact C-N 3.27Å; A1054-G1056 PolarHBondContact O-N 2.96Å; G1056-S1058 VanDerWaalsContact C-N 3.25Å; G1056-S1058 PolarHBondContact O-N 3.42Å
1057T95.2Very high95.1Very high52 Ų5285.5 Ų85.532%0.31945%0.45SS..  trans-82.863.3-174.652.70000112.2F1052 Y1055 Q1059 L1060 L1061F1052-T1057 PolarHBondContact O-N 2.67Å; F1052-T1057 PolarHBondContact O-OG1 3.1Å; Y1055-T1057 VanDerWaalsContact C-N 3.29Å; Y1055-T1057 PolarHBondContact O-N 3.02Å; T1057-Q1059 VanDerWaalsContact C-N 3.32Å; T1057-Q1059 PolarHBondContact O-N 3.21Å; T1057-L1060 WeakPolarHBondContact O-CB 3.4Å; T1057-L1060 PolarHBondContact O-N 2.98Å; T1057-L1060 VanDerWaalsContact O-N 3.07Å; T1057-L1061 PolarHBondContact O-N 3.09Å
1058S95.2Very high94.9Very high84 Ų8481 Ų8159%0.58743%0.434SS*.Hα-helixtrans-54.1-40.9-175.958.60000114.3G1056 L1061 L1062G1056-S1058 VanDerWaalsContact C-N 3.25Å; G1056-S1058 PolarHBondContact O-N 3.42Å; S1058-L1061 PolarHBondContact O-N 3.31Å; S1058-L1062 PolarHBondContact O-N 2.98Å
1059Q95.5Very high94.8Very high139 Ų13978.2 Ų78.265%0.6543%0.425SS*.Hα-helixtrans-68.8-37.6178-66.5-60.7-26.300112.5T1057 L1061 L1062 E1063T1057-Q1059 VanDerWaalsContact C-N 3.32Å; T1057-Q1059 PolarHBondContact O-N 3.21Å; Q1059-L1061 VanDerWaalsContact C-N 3.33Å; Q1059-L1062 PolarHBondContact O-N 2.9Å; Q1059-E1063 WeakPolarHBondContact O-CB 3.35Å; Q1059-E1063 PolarHBondContact O-N 3.25Å
1060L95.6Very high94.8Very high63 Ų6374.3 Ų74.333%0.3341%0.411SS..Hα-helixtrans-66-39.7175-177.864.4000110.7F1052 T1057 L1062 E1063 R1064F1052-L1060 HydrophobicContact CD1-CD2 3.89Å; F1052-L1060 HydrophobicContact CE1-CD2 3.88Å; T1057-L1060 WeakPolarHBondContact O-CB 3.4Å; T1057-L1060 PolarHBondContact O-N 2.98Å; T1057-L1060 VanDerWaalsContact O-N 3.07Å; L1060-L1062 VanDerWaalsContact C-N 3.35Å; L1060-E1063 PolarHBondContact O-N 3.23Å; L1060-R1064 HydrophobicContact CD1-CG 3.91Å; L1060-R1064 HydrophobicContact CG-CG 4.19Å; L1060-R1064 WeakPolarHBondContact O-CB 3.46Å; L1060-R1064 VanDerWaalsContact O-CG 3.31Å; L1060-R1064 WeakPolarHBondContact O-CG 3.44Å; L1060-R1064 PolarHBondContact O-N 3.48Å
1061L94.4Very high94.8Very high49 Ų4972.9 Ų72.926%0.25741%0.41SS..Hα-helixtrans-61.3-44.2175.4-169.1151.4000111R1049 F1052 I1053 T1057 S1058 Q1059 L1065R1049-L1061 HydrophobicContact CG-CD1 4.32Å; F1052-L1061 HydrophobicContact CB-CD1 4.41Å; I1053-L1061 HydrophobicContact CD1-CD1 4.37Å; I1053-L1061 HydrophobicContact CG1-CD1 3.65Å; T1057-L1061 PolarHBondContact O-N 3.09Å; S1058-L1061 PolarHBondContact O-N 3.31Å; Q1059-L1061 VanDerWaalsContact C-N 3.33Å; L1061-L1065 HydrophobicContact CD2-CD1 3.78Å; L1061-L1065 HydrophobicContact CG-CD1 3.85Å; L1061-L1065 VanDerWaalsContact O-CB 3.32Å; L1061-L1065 WeakPolarHBondContact O-CB 3.45Å; L1061-L1065 PolarHBondContact O-N 3.34Å
1062L94.1Very high94.7Very high77 Ų7773.4 Ų73.440%0.40340%0.402SS..Hα-helixtrans-61.5-43.9173.2-171.472.5000111.7S1058 Q1059 L1060 L1066 L1067S1058-L1062 PolarHBondContact O-N 2.98Å; Q1059-L1062 PolarHBondContact O-N 2.9Å; L1060-L1062 VanDerWaalsContact C-N 3.35Å; L1062-L1066 HydrophobicContact CD1-CB 4.22Å; L1062-L1066 HydrophobicContact CD1-CD2 3.54Å; L1062-L1066 HydrophobicContact CG-CD2 4.22Å; L1062-L1066 WeakPolarHBondContact O-CA 3.42Å; L1062-L1066 VanDerWaalsContact O-CB 3.24Å; L1062-L1066 WeakPolarHBondContact O-CB 3.29Å; L1062-L1066 PolarHBondContact O-N 2.97Å; L1062-L1067 PolarHBondContact O-N 3.39Å; L1062-L1067 VanDerWaalsContact O-N 3.16Å
1063E94.6Very high94.6Very high73 Ų7374.6 Ų74.634%0.34141%0.411SS..Iπ-helixtrans-63.9-47.3179.9-168.1-154.3163.200112.3Q1059 L1060 L1067 S1068Q1059-E1063 WeakPolarHBondContact O-CB 3.35Å; Q1059-E1063 PolarHBondContact O-N 3.25Å; L1060-E1063 PolarHBondContact O-N 3.23Å; E1063-L1067 HydrophobicContact CG-CD1 4.44Å; E1063-L1067 PolarHBondContact O-N 2.75Å; E1063-S1068 WeakPolarHBondContact O-CB 3.48Å; E1063-S1068 PolarHBondContact O-N 3.33Å; E1063-S1068 PolarHBondContact O-OG 3.11Å
1064R93.3Very high94.4Very high105 Ų10570 Ų7040%0.39639%0.388SS..Iπ-helixtrans-75-42.1-175.2-67.3-64.9105.8176.73.2112.5L1060L1060-R1064 HydrophobicContact CD1-CG 3.91Å; L1060-R1064 HydrophobicContact CG-CG 4.19Å; L1060-R1064 WeakPolarHBondContact O-CB 3.46Å; L1060-R1064 VanDerWaalsContact O-CG 3.31Å; L1060-R1064 WeakPolarHBondContact O-CG 3.44Å; L1060-R1064 PolarHBondContact O-N 3.48Å
1065L94Very high94.1Very high63 Ų6366.8 Ų66.833%0.3336%0.359SS..Iπ-helixtrans-91.7-21-175.2-63.1179.4000114.4V1044 R1049 L1061V1044-L1065 HydrophobicContact CG1-CD2 4.24Å; R1049-L1065 HydrophobicContact CG-CD1 4.15Å; L1061-L1065 HydrophobicContact CD2-CD1 3.78Å; L1061-L1065 HydrophobicContact CG-CD1 3.85Å; L1061-L1065 VanDerWaalsContact O-CB 3.32Å; L1061-L1065 WeakPolarHBondContact O-CB 3.45Å; L1061-L1065 PolarHBondContact O-N 3.34Å
1066L93.6Very high93.9Very high20 Ų2057.4 Ų57.411%0.10532%0.323CS..Iπ-helixtrans-113.1-63.8177.7172.471.8000111.6L1062 S1068 S1069 D1070 A1071 R1103 M1104 P1105L1062-L1066 HydrophobicContact CD1-CB 4.22Å; L1062-L1066 HydrophobicContact CD1-CD2 3.54Å; L1062-L1066 HydrophobicContact CG-CD2 4.22Å; L1062-L1066 WeakPolarHBondContact O-CA 3.42Å; L1062-L1066 VanDerWaalsContact O-CB 3.24Å; L1062-L1066 WeakPolarHBondContact O-CB 3.29Å; L1062-L1066 PolarHBondContact O-N 2.97Å; L1066-S1068 PolarHBondContact O-N 2.85Å; L1066-S1069 PolarHBondContact O-N 3Å; L1066-D1070 PolarHBondContact O-N 3.08Å; L1066-A1071 HydrophobicContact CD1-CB 4.24Å; L1066-A1071 HydrophobicContact CG-CB 4.34Å; L1066-A1071 WeakPolarHBondContact O-CB 3.42Å; L1066-A1071 PolarHBondContact O-N 2.88Å; L1066-A1071 VanDerWaalsContact O-N 3.09Å; L1066-R1103 HydrophobicContact CD2-CG 4.48Å; L1066-M1104 VanDerWaalsContact CD1-C 3.4Å; L1066-P1105 HydrophobicContact CD1-CB 4.08Å; L1066-P1105 HydrophobicContact CD1-CG 3.69Å; L1066-P1105 VanDerWaalsContact CD1-N 3.27Å
1067L93.3Very high93.7Very high91 Ų9154.8 Ų54.848%0.47630%0.296SS..Iπ-helixtrans-66.8-38.1-168.2-60.5178.6000113.2L1062 E1063L1062-L1067 PolarHBondContact O-N 3.39Å; L1062-L1067 VanDerWaalsContact O-N 3.16Å; E1063-L1067 HydrophobicContact CG-CD1 4.44Å; E1063-L1067 PolarHBondContact O-N 2.75Å
1068S92.3Very high93.4Very high61 Ų6157.3 Ų57.343%0.42730%0.304SS..THydrogen-bonded Turntrans-90.3-3.8-176.7-540000114.2E1063 L1066E1063-S1068 WeakPolarHBondContact O-CB 3.48Å; E1063-S1068 PolarHBondContact O-N 3.33Å; E1063-S1068 PolarHBondContact O-OG 3.11Å; L1066-S1068 PolarHBondContact O-N 2.85Å
1069S92.1Very high93Very high35 Ų3560.8 Ų60.825%0.24531%0.308CS..THydrogen-bonded Turntrans-110.7-79.2-175.2171.20000111L1066L1066-S1069 PolarHBondContact O-N 3Å
1070D94.8Very high92.7Very high12 Ų1254.6 Ų54.66%0.06428%0.28CS..THydrogen-bonded Turntrans-14736.6-163.963.9-50.4000112.2Q1031 L1066 Y1072 Y1106 A1107Q1031-D1070 HydrophobicContact CG-CB 4.21Å; L1066-D1070 PolarHBondContact O-N 3.08Å; D1070-Y1072 PolarHBondContact O-N 2.81Å; D1070-Y1106 WeakPolarHBondContact O-CB 3.38Å; D1070-Y1106 PolarHBondContact O-N 3.26Å; D1070-Y1106 PolarHBondContact OD2-N 2.85Å; D1070-A1107 WeakPolarHBondContact OD2-CB 3.36Å; D1070-A1107 PolarHBondContact OD2-N 2.91Å
1071A95.3Very high92.4Very high47 Ų4751.7 Ų51.739%0.38827%0.265SS..EExtended strand (participates in β ladder)trans-53.7126.9175.400000111.9L1066L1066-A1071 HydrophobicContact CD1-CB 4.24Å; L1066-A1071 HydrophobicContact CG-CB 4.34Å; L1066-A1071 WeakPolarHBondContact O-CB 3.42Å; L1066-A1071 PolarHBondContact O-N 2.88Å; L1066-A1071 VanDerWaalsContact O-N 3.09Å
1072Y94.1Very high92.3Very high80 Ų8050 Ų5031%0.31426%0.257SS..EExtended strand (participates in β ladder)trans-139.4134.7-178.7-173.1-106000110.9D1070 A1074 M1104 Y1106 K1109D1070-Y1072 PolarHBondContact O-N 2.81Å; Y1072-A1074 HydrophobicContact CD1-CB 4.09Å; Y1072-A1074 HydrophobicContact CE1-CB 4.2Å; Y1072-A1074 PolarHBondContact O-N 3.04Å; Y1072-M1104 PolarHBondContact N-O 2.98Å; Y1072-M1104 PolarHBondContact O-N 2.88Å; Y1072-Y1106 HydrophobicContact CD1-CD2 4.12Å; Y1072-Y1106 AromaticContact CD2-CD2 3.87Å; Y1072-Y1106 HydrophobicContact CD2-CD2 3.87Å; Y1072-Y1106 HydrophobicContact CD2-CE2 4.46Å; Y1072-Y1106 HydrophobicContact CE2-CD2 4.3Å; Y1072-Y1106 HydrophobicContact CE2-CE2 4.47Å; Y1072-Y1106 AromaticContact CG-CD2 3.77Å; Y1072-Y1106 HydrophobicContact CG-CD2 3.77Å; Y1072-K1109 HydrophobicContact CD1-CB 4.49Å; Y1072-K1109 HydrophobicContact CD1-CG 4.33Å; Y1072-K1109 HydrophobicContact CE1-CG 4.25Å
1073D93.3Very high92.2Very high73 Ų7348.1 Ų48.139%0.3925%0.247SC..EExtended strand (participates in β ladder)trans-92.998.9177.2-69.8-27.7000108.8R1103D1073-R1103 WeakPolarHBondContact OD1-CB 3.33Å; D1073-R1103 WeakPolarHBondContact OD1-CG 3.5Å; D1073-R1103 IonicContact OD1-CZ 3.83Å; D1073-R1103 IonicContact OD1-NE 2.8Å; D1073-R1103 PolarHBondContact OD1-NE 3.5Å; D1073-R1103 IonicContact OD1-NH2 3.88Å; D1073-R1103 PolarHBondContact OD1-NH2 2.85Å; D1073-R1103 IonicContact OD2-CZ 3.1Å; D1073-R1103 IonicContact OD2-NE 3.4Å; D1073-R1103 IonicContact OD2-NH2 3.77Å; D1073-R1103 PolarHBondContact OD2-NH2 2.85Å
1074A91.9Very high91.8Very high2 Ų245.2 Ų45.22%0.01724%0.235CC..EExtended strand (participates in β ladder)trans-92.1131.1-176.900000110.9Y1072 L1083 V1102 M1104Y1072-A1074 HydrophobicContact CD1-CB 4.09Å; Y1072-A1074 HydrophobicContact CE1-CB 4.2Å; Y1072-A1074 PolarHBondContact O-N 3.04Å; A1074-L1083 HydrophobicContact CB-CD2 3.93Å; A1074-V1102 PolarHBondContact N-O 2.97Å; A1074-V1102 PolarHBondContact O-N 2.84Å; A1074-M1104 HydrophobicContact CB-CE 3.8Å; A1074-M1104 HydrophobicContact CB-CG 3.99Å; A1074-M1104 HydrophobicContact CB-SD 3.71Å
1075C92Very high91.4Very high24 Ų2445.7 Ų45.716%0.16225%0.25CS..EExtended strand (participates in β ladder)trans-80128.4174.8-60.20000109.4L1083 A1084 P1087 V1099C1075-L1083 CarbonylContact O-C 3.56Å; C1075-L1083 WeakPolarHBondContact O-CA 3.47Å; C1075-A1084 HydrophobicContact CB-CB 3.95Å; C1075-A1084 PolarHBondContact O-N 2.91Å; C1075-P1087 VanDerWaalsContact SG-CA 3.55Å; C1075-V1099 HydrophobicContact CB-CG1 3.97Å
1076V92Very high90.9Very high0 Ų044.7 Ų44.70%025%0.248CC..EExtended strand (participates in β ladder)trans-127.8135.1-178.6-179.10000108.9L1082 L1083 V1100 V1102 M1104 L1124 L1126V1076-L1082 WeakPolarHBondContact CA-O 3.46Å; V1076-L1083 HydrophobicContact CG2-CD2 4.04Å; V1076-V1100 PolarHBondContact N-O 3.29Å; V1076-V1100 PolarHBondContact O-N 2.88Å; V1076-V1102 HydrophobicContact CB-CG2 4.29Å; V1076-V1102 HydrophobicContact CG2-CB 4.27Å; V1076-V1102 HydrophobicContact CG2-CG2 4.05Å; V1076-M1104 HydrophobicContact CG2-CE 4.37Å; V1076-L1124 HydrophobicContact CG1-CB 4.03Å; V1076-L1124 HydrophobicContact CG1-CD1 3.97Å; V1076-L1124 HydrophobicContact CG2-CD1 3.68Å; V1076-L1126 HydrophobicContact CB-CD1 4.05Å; V1076-L1126 HydrophobicContact CG1-CD1 3.96Å; V1076-L1126 HydrophobicContact CG1-CD2 4.26Å; V1076-L1126 HydrophobicContact CG1-CG 4.27Å
1077C90.9Very high90.4Very high1 Ų147.8 Ų47.81%0.00727%0.269CS..EExtended strand (participates in β ladder)trans-84.4125.9174.8179.10000110.8K1079 C1080 G1081 L1082 C1090 Q1098C1077-K1079 VanDerWaalsContact C-N 3.25Å; C1077-K1079 PolarHBondContact O-N 3.4Å; C1077-C1080 VanDerWaalsContact CB-SG 3.54Å; C1077-G1081 VanDerWaalsContact O-CA 3.24Å; C1077-G1081 WeakPolarHBondContact O-CA 3.3Å; C1077-G1081 PolarHBondContact O-N 3.27Å; C1077-L1082 PolarHBondContact N-O 3.22Å; C1077-C1090 HydrophobicContact CB-CB 3.75Å; C1077-C1090 WeakPolarHBondContact CB-SG 3.41Å; C1077-Q1098 CarbonylContact C-O 3.59Å; C1077-Q1098 WeakPolarHBondContact CA-O 3.28Å
1078E88.6Confident90.1Very high104 Ų10449.1 Ų49.149%0.48628%0.277SS..THydrogen-bonded Turntrans-63.5-32.4180-56.9-179.7137.900112.1Q1098 V1100 L1126E1078-Q1098 HydrophobicContact CB-CB 4.07Å; E1078-Q1098 HydrophobicContact CG-CB 4.32Å; E1078-Q1098 PolarHBondContact N-O 2.78Å; E1078-V1100 HydrophobicContact CG-CG2 3.76Å; E1078-V1100 WeakPolarHBondContact OE1-CG2 3.44Å; E1078-L1126 HydrophobicContact CG-CD1 4.16Å
1079K87.4Confident90Very high157 Ų15751 Ų5168%0.68328%0.275SS*.THydrogen-bonded Turntrans-72.8-47.9-177.1-171177.1-179.5-1800113.1C1077C1077-K1079 VanDerWaalsContact C-N 3.25Å; C1077-K1079 PolarHBondContact O-N 3.4Å
1080C89.1Confident89.9Confident9 Ų949.3 Ų49.36%0.06126%0.263CS..THydrogen-bonded Turntrans-100.3-17.5-176.166.20000114.2C1077 L1082 Y1092 C1093 R1123C1077-C1080 VanDerWaalsContact CB-SG 3.54Å; C1080-L1082 HydrophobicContact CB-CG 4.34Å; C1080-L1082 PolarHBondContact O-N 3.17Å; C1080-Y1092 HydrophobicContact CB-CD1 3.88Å; C1080-Y1092 HydrophobicContact CB-CE1 4.42Å; C1080-C1093 VanDerWaalsContact CB-SG 3.59Å; C1080-C1093 VanDerWaalsContact SG-SG 3.68Å; C1080-R1123 PolarHBondContact O-NH1 2.95Å
1081G90.5Very high89.6Confident2 Ų254.1 Ų54.12%0.02129%0.286CS..  trans74.28.3-176.300000114.6C1077 L1124C1077-G1081 VanDerWaalsContact O-CA 3.24Å; C1077-G1081 WeakPolarHBondContact O-CA 3.3Å; C1077-G1081 PolarHBondContact O-N 3.27Å; G1081-L1124 WeakPolarHBondContact CA-O 3.31Å; G1081-L1124 WeakPolarHBondContact O-CB 3.49Å; G1081-L1124 PolarHBondContact O-N 3.03Å
1082L91.7Very high89.3Confident14 Ų1459.1 Ų59.17%0.07330%0.295CS..PPolyproline II helixtrans-92.9156.5-178.5-58.1177.1000111.3V1076 C1077 C1080 A1084 Y1092 M1116 L1121 R1123V1076-L1082 WeakPolarHBondContact CA-O 3.46Å; C1077-L1082 PolarHBondContact N-O 3.22Å; C1080-L1082 HydrophobicContact CB-CG 4.34Å; C1080-L1082 PolarHBondContact O-N 3.17Å; L1082-A1084 PolarHBondContact O-N 2.91Å; L1082-Y1092 HydrophobicContact CD1-CD1 4.06Å; L1082-Y1092 HydrophobicContact CD1-CD2 3.74Å; L1082-Y1092 HydrophobicContact CD1-CE2 4.22Å; L1082-Y1092 HydrophobicContact CD1-CG 3.65Å; L1082-M1116 HydrophobicContact CD2-CE 3.94Å; L1082-L1121 HydrophobicContact CD1-CD1 4.41Å; L1082-L1121 HydrophobicContact CD2-CD1 3.64Å; L1082-L1121 HydrophobicContact CD2-CD2 4.06Å; L1082-L1121 HydrophobicContact CD2-CG 3.72Å; L1082-R1123 HydrophobicContact CD2-CG 4.46Å
1083L91.8Very high88.9Confident37 Ų3757.1 Ų57.119%0.19429%0.292CS..BIsolated β-bridgetrans-62.8123.3171.3-62.8170.2000109.5A1074 C1075 V1076 K1109 F1112 Q1113A1074-L1083 HydrophobicContact CB-CD2 3.93Å; C1075-L1083 CarbonylContact O-C 3.56Å; C1075-L1083 WeakPolarHBondContact O-CA 3.47Å; V1076-L1083 HydrophobicContact CG2-CD2 4.04Å; L1083-K1109 HydrophobicContact CD1-CG 4.04Å; L1083-F1112 HydrophobicContact CD1-CB 4.27Å; L1083-Q1113 HydrophobicContact CD1-CG 4.36Å
1084A86Confident88.7Confident13 Ų1363 Ų6311%0.10731%0.309CS..PPolyproline II helixtrans-84145.1174.800000110.3C1075 L1082 S1086 V1099C1075-A1084 HydrophobicContact CB-CB 3.95Å; C1075-A1084 PolarHBondContact O-N 2.91Å; L1082-A1084 PolarHBondContact O-N 2.91Å; A1084-S1086 VanDerWaalsContact C-N 3.32Å; A1084-V1099 HydrophobicContact CB-CG1 3.73Å; A1084-V1099 HydrophobicContact CB-CG2 4.34Å
1085T83.9Confident88.4Confident115 Ų11564.6 Ų64.671%0.70632%0.32SS*.SBendtrans-71.8-30.2-178.5-42.40000112
1086S83.6Confident87.9Confident42 Ų4267.1 Ų67.129%0.29434%0.339SS..BIsolated β-bridgetrans-140.8159-179.780.50000109.7A1084 N1088 W1089A1084-S1086 VanDerWaalsContact C-N 3.32Å; S1086-N1088 PolarHBondContact O-N 3.4Å; S1086-N1088 VanDerWaalsContact O-N 3.11Å; S1086-W1089 PolarHBondContact O-N 2.85Å; S1086-W1089 VanDerWaalsContact OG-CB 3.23Å; S1086-W1089 WeakPolarHBondContact OG-CB 3.05Å; S1086-W1089 PolarHBondContact OG-N 2.87Å
1087P84.6Confident87.1Confident84 Ų8476.8 Ų76.855%0.54538%0.375SS..THydrogen-bonded Turntrans-59.2-24.5-178.420.4-32.1000114C1075 V1099C1075-P1087 VanDerWaalsContact SG-CA 3.55Å; P1087-V1099 VanDerWaalsContact O-CB 3.3Å; P1087-V1099 WeakPolarHBondContact O-CB 3.47Å; P1087-V1099 WeakPolarHBondContact O-CG1 3.2Å
1088N86.9Confident86.7Confident119 Ų11981.5 Ų81.564%0.63640%0.397SS*.THydrogen-bonded Turntrans-1136.6-175.3-62.1-15000113.2S1086 S1096S1086-N1088 PolarHBondContact O-N 3.4Å; S1086-N1088 VanDerWaalsContact O-N 3.11Å; N1088-S1096 WeakPolarHBondContact O-CA 3.49Å; N1088-S1096 WeakPolarHBondContact O-CB 3.43Å
1089W89.3Confident86.6Confident100 Ų10077.9 Ų77.938%0.37938%0.382SS..BIsolated β-bridgetrans-147.7116.8-174-175.3-100.9000112.6S1086 R1094S1086-W1089 PolarHBondContact O-N 2.85Å; S1086-W1089 VanDerWaalsContact OG-CB 3.23Å; S1086-W1089 WeakPolarHBondContact OG-CB 3.05Å; S1086-W1089 PolarHBondContact OG-N 2.87Å; W1089-R1094 HydrophobicContact CH2-CB 4.14Å; W1089-R1094 HydrophobicContact CZ2-CB 4.02Å; W1089-R1094 HydrophobicContact CZ2-CG 4.38Å
1090C89.8Confident86.7Confident1 Ų173.1 Ų73.11%0.00737%0.366CS..BIsolated β-bridgetrans-89.2114.2165.8-179.10000110.1C1077 Y1092 C1093 R1094 S1095 V1099C1077-C1090 HydrophobicContact CB-CB 3.75Å; C1077-C1090 WeakPolarHBondContact CB-SG 3.41Å; C1090-Y1092 VanDerWaalsContact C-N 3.26Å; C1090-Y1092 PolarHBondContact O-N 2.76Å; C1090-C1093 HydrophobicContact CB-CB 4.12Å; C1090-C1093 PolarHBondContact O-N 3.21Å; C1090-C1093 PolarHBondContact SG-N 3.37Å; C1090-C1093 VanDerWaalsContact SG-N 3.43Å; C1090-R1094 WeakPolarHBondContact O-CA 3.34Å; C1090-R1094 PolarHBondContact O-N 2.98Å; C1090-S1095 PolarHBondContact N-O 2.81Å; C1090-S1095 VanDerWaalsContact N-O 3.16Å; C1090-V1099 HydrophobicContact CB-CG2 4.12Å
1091Q89.1Confident86.7Confident113 Ų11376.3 Ų76.353%0.52839%0.388SS..THydrogen-bonded Turntrans-62.6-32.4178.8-171.663.49.900113
1092Y88.5Confident86.8Confident152 Ų15278.1 Ų78.160%0.59640%0.399SS*.THydrogen-bonded Turntrans-74.8-45.2-179.1-167.2-93.1000112.3C1080 L1082 C1090C1080-Y1092 HydrophobicContact CB-CD1 3.88Å; C1080-Y1092 HydrophobicContact CB-CE1 4.42Å; L1082-Y1092 HydrophobicContact CD1-CD1 4.06Å; L1082-Y1092 HydrophobicContact CD1-CD2 3.74Å; L1082-Y1092 HydrophobicContact CD1-CE2 4.22Å; L1082-Y1092 HydrophobicContact CD1-CG 3.65Å; C1090-Y1092 VanDerWaalsContact C-N 3.26Å; C1090-Y1092 PolarHBondContact O-N 2.76Å
1093C87.4Confident86.8Confident37 Ų3784.7 Ų84.725%0.2542%0.422CS..THydrogen-bonded Turntrans-83-13.8179.3-67.80000113.6C1080 C1090 S1095C1080-C1093 VanDerWaalsContact CB-SG 3.59Å; C1080-C1093 VanDerWaalsContact SG-SG 3.68Å; C1090-C1093 HydrophobicContact CB-CB 4.12Å; C1090-C1093 PolarHBondContact O-N 3.21Å; C1090-C1093 PolarHBondContact SG-N 3.37Å; C1090-C1093 VanDerWaalsContact SG-N 3.43Å; C1093-S1095 PolarHBondContact O-N 3.32Å
1094R88.2Confident86.8Confident196 Ų19683.7 Ų83.774%0.7442%0.417SS*.THydrogen-bonded Turntrans47.740.7-170.7-59.9-174178.6-172.90.1112.6W1089 C1090W1089-R1094 HydrophobicContact CH2-CB 4.14Å; W1089-R1094 HydrophobicContact CZ2-CB 4.02Å; W1089-R1094 HydrophobicContact CZ2-CG 4.38Å; C1090-R1094 WeakPolarHBondContact O-CA 3.34Å; C1090-R1094 PolarHBondContact O-N 2.98Å
1095S85.6Confident87.3Confident36 Ų3685.2 Ų85.225%0.25243%0.426SS..BIsolated β-bridgetrans-133140.7-176.6167.40000109C1090 C1093 R1097C1090-S1095 PolarHBondContact N-O 2.81Å; C1090-S1095 VanDerWaalsContact N-O 3.16Å; C1093-S1095 PolarHBondContact O-N 3.32Å; S1095-R1097 PolarHBondContact OG-N 2.86Å; S1095-R1097 PolarHBondContact OG-O 2.91Å
1096S82.1Confident87.9Confident78 Ų7880.9 Ų80.955%0.54540%0.397SS..SBendtrans-86.5-18.8168.554.50000113.3N1088N1088-S1096 WeakPolarHBondContact O-CA 3.49Å; N1088-S1096 WeakPolarHBondContact O-CB 3.43Å
1097R74.8Confident88.5Confident202 Ų20280.5 Ų80.576%0.76240%0.396SS*.THydrogen-bonded Turntrans-70.3137.5174.4-63.4-177.5177.1171.6-0.5109.2S1095S1095-R1097 PolarHBondContact OG-N 2.86Å; S1095-R1097 PolarHBondContact OG-O 2.91Å
1098Q81.3Confident89Confident101 Ų10178.3 Ų78.347%0.47238%0.383SS..THydrogen-bonded Turntrans73.642.4168.9-52.5174-39.900116.1C1077 E1078C1077-Q1098 CarbonylContact C-O 3.59Å; C1077-Q1098 WeakPolarHBondContact CA-O 3.28Å; E1078-Q1098 HydrophobicContact CB-CB 4.07Å; E1078-Q1098 HydrophobicContact CG-CB 4.32Å; E1078-Q1098 PolarHBondContact N-O 2.78Å
1099V87.3Confident89.3Confident28 Ų2874 Ų7417%0.1736%0.358CS..EExtended strand (participates in β ladder)trans-105.5129.7166.5-176.50000108.9C1075 A1084 P1087 C1090C1075-V1099 HydrophobicContact CB-CG1 3.97Å; A1084-V1099 HydrophobicContact CB-CG1 3.73Å; A1084-V1099 HydrophobicContact CB-CG2 4.34Å; P1087-V1099 VanDerWaalsContact O-CB 3.3Å; P1087-V1099 WeakPolarHBondContact O-CB 3.47Å; P1087-V1099 WeakPolarHBondContact O-CG1 3.2Å; C1090-V1099 HydrophobicContact CB-CG2 4.12Å
1100V88.8Confident89.7Confident56 Ų5670.4 Ų70.434%0.33935%0.346SS..EExtended strand (participates in β ladder)trans-125.7141-177.91800000109.4V1076 E1078 L1126V1076-V1100 PolarHBondContact N-O 3.29Å; V1076-V1100 PolarHBondContact O-N 2.88Å; E1078-V1100 HydrophobicContact CG-CG2 3.76Å; E1078-V1100 WeakPolarHBondContact OE1-CG2 3.44Å; V1100-L1126 HydrophobicContact CB-CD1 4.03Å
1101S90.8Very high90Very high76 Ų7674.3 Ų74.353%0.53137%0.367SS..EExtended strand (participates in β ladder)trans-83.3127.2173.9-170.80000110.6
1102V90.7Very high90.3Very high40 Ų4070.6 Ų70.624%0.24235%0.349CS..EExtended strand (participates in β ladder)trans-122.6122.6179.7-178.50000109A1074 V1076 M1104 L1126A1074-V1102 PolarHBondContact N-O 2.97Å; A1074-V1102 PolarHBondContact O-N 2.84Å; V1076-V1102 HydrophobicContact CB-CG2 4.29Å; V1076-V1102 HydrophobicContact CG2-CB 4.27Å; V1076-V1102 HydrophobicContact CG2-CG2 4.05Å; V1102-M1104 HydrophobicContact CB-CE 4.16Å; V1102-M1104 HydrophobicContact CG1-CE 3.97Å; V1102-L1126 HydrophobicContact CG2-CD1 4.09Å; V1102-L1126 HydrophobicContact CG2-CD2 3.71Å
1103R92.4Very high90.6Very high152 Ų15267 Ų6757%0.57434%0.338SS*.EExtended strand (participates in β ladder)trans-75.7124.9175.2-173.4163.1-71.2173.5-2110.6L1066 D1073L1066-R1103 HydrophobicContact CD2-CG 4.48Å; D1073-R1103 WeakPolarHBondContact OD1-CB 3.33Å; D1073-R1103 WeakPolarHBondContact OD1-CG 3.5Å; D1073-R1103 IonicContact OD1-CZ 3.83Å; D1073-R1103 IonicContact OD1-NE 2.8Å; D1073-R1103 PolarHBondContact OD1-NE 3.5Å; D1073-R1103 IonicContact OD1-NH2 3.88Å; D1073-R1103 PolarHBondContact OD1-NH2 2.85Å; D1073-R1103 IonicContact OD2-CZ 3.1Å; D1073-R1103 IonicContact OD2-NE 3.4Å; D1073-R1103 IonicContact OD2-NH2 3.77Å; D1073-R1103 PolarHBondContact OD2-NH2 2.85Å
1104M92.9Very high91Very high16 Ų1670 Ų708%0.07935%0.348CS..EExtended strand (participates in β ladder)trans-149.8165.7179.364.1-178.864.700111.2L1066 Y1072 A1074 V1076 V1102 K1109 F1112 L1124L1066-M1104 VanDerWaalsContact CD1-C 3.4Å; Y1072-M1104 PolarHBondContact N-O 2.98Å; Y1072-M1104 PolarHBondContact O-N 2.88Å; A1074-M1104 HydrophobicContact CB-CE 3.8Å; A1074-M1104 HydrophobicContact CB-CG 3.99Å; A1074-M1104 HydrophobicContact CB-SD 3.71Å; V1076-M1104 HydrophobicContact CG2-CE 4.37Å; V1102-M1104 HydrophobicContact CB-CE 4.16Å; V1102-M1104 HydrophobicContact CG1-CE 3.97Å; M1104-K1109 HydrophobicContact SD-CB 4.11Å; M1104-F1112 HydrophobicContact SD-CE2 4.47Å; M1104-L1124 HydrophobicContact CE-CD1 4.13Å
1105P95.5Very high91.5Very high45 Ų4562.9 Ų62.929%0.29232%0.324SS..EExtended strand (participates in β ladder)trans-64.8138.6171.3-16.728.7000110.5L1066 A1107 C1108 K1109L1066-P1105 HydrophobicContact CD1-CB 4.08Å; L1066-P1105 HydrophobicContact CD1-CG 3.69Å; L1066-P1105 VanDerWaalsContact CD1-N 3.27Å; P1105-A1107 PolarHBondContact O-N 2.95Å; P1105-C1108 HydrophobicContact CB-CB 4.16Å; P1105-C1108 HydrophobicContact CG-CB 4.27Å; P1105-C1108 WeakPolarHBondContact O-CA 3.24Å; P1105-C1108 VanDerWaalsContact O-CB 3.29Å; P1105-C1108 WeakPolarHBondContact O-CB 3.34Å; P1105-C1108 PolarHBondContact O-N 3.21Å; P1105-K1109 PolarHBondContact O-N 2.71Å; P1105-K1109 VanDerWaalsContact O-N 3.12Å
1106Y96.1Very high91.8Very high24 Ų2464 Ų649%0.09433%0.326CS..Hα-helixtrans-59.9-36.4174.7-174.1-94.4000111.4L1028 T1029 R1030 D1070 Y1072 C1108 K1109 L1110L1028-Y1106 WeakPolarHBondContact O-CE1 3.04Å; T1029-Y1106 WeakPolarHBondContact O-CD1 3.48Å; R1030-Y1106 HydrophobicContact CB-CD1 3.91Å; R1030-Y1106 HydrophobicContact CB-CE1 4.32Å; R1030-Y1106 HydrophobicContact CB-CG 4.2Å; R1030-Y1106 HydrophobicContact CG-CD1 3.85Å; R1030-Y1106 HydrophobicContact CG-CE1 3.76Å; R1030-Y1106 HydrophobicContact CG-CE2 4.45Å; R1030-Y1106 HydrophobicContact CG-CG 4.25Å; D1070-Y1106 WeakPolarHBondContact O-CB 3.38Å; D1070-Y1106 PolarHBondContact O-N 3.26Å; D1070-Y1106 PolarHBondContact OD2-N 2.85Å; Y1072-Y1106 HydrophobicContact CD1-CD2 4.12Å; Y1072-Y1106 AromaticContact CD2-CD2 3.87Å; Y1072-Y1106 HydrophobicContact CD2-CD2 3.87Å; Y1072-Y1106 HydrophobicContact CD2-CE2 4.46Å; Y1072-Y1106 HydrophobicContact CE2-CD2 4.3Å; Y1072-Y1106 HydrophobicContact CE2-CE2 4.47Å; Y1072-Y1106 AromaticContact CG-CD2 3.77Å; Y1072-Y1106 HydrophobicContact CG-CD2 3.77Å; Y1106-C1108 PolarHBondContact O-N 3.08Å; Y1106-K1109 HydrophobicContact CD2-CD 4.38Å; Y1106-K1109 HydrophobicContact CE2-CD 4.09Å; Y1106-K1109 PolarHBondContact O-N 2.77Å; Y1106-K1109 VanDerWaalsContact O-N 3.15Å; Y1106-L1110 HydrophobicContact CE1-CB 4.47Å; Y1106-L1110 WeakPolarHBondContact O-CB 3.44Å; Y1106-L1110 PolarHBondContact O-N 3.44Å
1107A95.6Very high92.5Very high35 Ų3565.7 Ų65.729%0.28934%0.337SS..Hα-helixtrans-58.1-34.7173.100000112.3D1070 P1105 L1110 L1111D1070-A1107 WeakPolarHBondContact OD2-CB 3.36Å; D1070-A1107 PolarHBondContact OD2-N 2.91Å; P1105-A1107 PolarHBondContact O-N 2.95Å; A1107-L1110 PolarHBondContact O-N 3.42Å; A1107-L1111 WeakPolarHBondContact O-CB 3.27Å; A1107-L1111 PolarHBondContact O-N 2.8Å
1108C95.5Very high93.5Very high38 Ų3862.5 Ų62.526%0.25733%0.332SS..Hα-helixtrans-71.1-43174.8-1770000111.6P1105 Y1106 L1110 L1111 F1112P1105-C1108 HydrophobicContact CB-CB 4.16Å; P1105-C1108 HydrophobicContact CG-CB 4.27Å; P1105-C1108 WeakPolarHBondContact O-CA 3.24Å; P1105-C1108 VanDerWaalsContact O-CB 3.29Å; P1105-C1108 WeakPolarHBondContact O-CB 3.34Å; P1105-C1108 PolarHBondContact O-N 3.21Å; Y1106-C1108 PolarHBondContact O-N 3.08Å; C1108-L1110 VanDerWaalsContact C-N 3.31Å; C1108-L1110 PolarHBondContact O-N 2.99Å; C1108-L1111 WeakPolarHBondContact O-CB 3.46Å; C1108-L1111 PolarHBondContact O-N 2.88Å; C1108-F1112 WeakPolarHBondContact O-CG 3.45Å; C1108-F1112 PolarHBondContact O-N 2.91Å; C1108-F1112 WeakPolarHBondContact SG-CZ 3.48Å
1109K94.7Very high94.2Very high27 Ų2768.9 Ų68.912%0.11735%0.352CS..Hα-helixtrans-59.4-42.7172.2176.2-87.3-170.9-179.90111.5Y1072 L1083 M1104 P1105 Y1106 F1112 Q1113Y1072-K1109 HydrophobicContact CD1-CB 4.49Å; Y1072-K1109 HydrophobicContact CD1-CG 4.33Å; Y1072-K1109 HydrophobicContact CE1-CG 4.25Å; L1083-K1109 HydrophobicContact CD1-CG 4.04Å; M1104-K1109 HydrophobicContact SD-CB 4.11Å; P1105-K1109 PolarHBondContact O-N 2.71Å; P1105-K1109 VanDerWaalsContact O-N 3.12Å; Y1106-K1109 HydrophobicContact CD2-CD 4.38Å; Y1106-K1109 HydrophobicContact CE2-CD 4.09Å; Y1106-K1109 PolarHBondContact O-N 2.77Å; Y1106-K1109 VanDerWaalsContact O-N 3.15Å; K1109-F1112 PolarHBondContact O-N 3.23Å; K1109-Q1113 VanDerWaalsContact CE-CD 3.5Å; K1109-Q1113 VanDerWaalsContact NZ-CD 3.28Å; K1109-Q1113 WeakPolarHBondContact O-CG 3.33Å; K1109-Q1113 PolarHBondContact O-N 3.18Å; K1109-Q1113 VanDerWaalsContact O-N 3.14Å
1110L96.1Very high94.5Very high26 Ų2672 Ų7214%0.13637%0.366CS..Hα-helixtrans-62.8-47.7176.9-179.762.8000110.6L1028 T1029 Y1106 A1107 C1108 F1112 Q1113 E1114L1028-L1110 HydrophobicContact CD1-CD2 4.44Å; L1028-L1110 HydrophobicContact CG-CD2 4.4Å; T1029-L1110 HydrophobicContact CG2-CD2 4.33Å; Y1106-L1110 HydrophobicContact CE1-CB 4.47Å; Y1106-L1110 WeakPolarHBondContact O-CB 3.44Å; Y1106-L1110 PolarHBondContact O-N 3.44Å; A1107-L1110 PolarHBondContact O-N 3.42Å; C1108-L1110 VanDerWaalsContact C-N 3.31Å; C1108-L1110 PolarHBondContact O-N 2.99Å; L1110-F1112 VanDerWaalsContact C-N 3.28Å; L1110-F1112 PolarHBondContact O-N 2.89Å; L1110-Q1113 WeakPolarHBondContact O-CB 3.33Å; L1110-Q1113 PolarHBondContact O-N 3.15Å; L1110-E1114 PolarHBondContact O-N 3.08Å
1111L96.7Very high94.7Very high83 Ų8373.2 Ų73.244%0.43537%0.371SS..Hα-helixtrans-54.4-44.5174.5176.466000111.6A1107 C1108 Q1113 E1114 L1115A1107-L1111 WeakPolarHBondContact O-CB 3.27Å; A1107-L1111 PolarHBondContact O-N 2.8Å; C1108-L1111 WeakPolarHBondContact O-CB 3.46Å; C1108-L1111 PolarHBondContact O-N 2.88Å; L1111-Q1113 VanDerWaalsContact C-N 3.31Å; L1111-Q1113 PolarHBondContact O-N 3.39Å; L1111-E1114 PolarHBondContact O-N 2.9Å; L1111-L1115 HydrophobicContact CD1-CD1 4.35Å; L1111-L1115 HydrophobicContact CD1-CG 4.26Å; L1111-L1115 HydrophobicContact CG-CD1 4.12Å; L1111-L1115 HydrophobicContact CG-CG 4.43Å; L1111-L1115 WeakPolarHBondContact O-CB 3.23Å; L1111-L1115 VanDerWaalsContact O-CG 3.27Å; L1111-L1115 WeakPolarHBondContact O-CG 3.41Å; L1111-L1115 PolarHBondContact O-N 2.86Å
1112F95.4Very high94.8Very high34 Ų3470.7 Ų70.715%0.14935%0.353CS..Hα-helixtrans-62.6-37.7177.1-68.2-14000112.7L1083 M1104 C1108 K1109 L1110 L1115 M1116 P1122 L1124L1083-F1112 HydrophobicContact CD1-CB 4.27Å; M1104-F1112 HydrophobicContact SD-CE2 4.47Å; C1108-F1112 WeakPolarHBondContact O-CG 3.45Å; C1108-F1112 PolarHBondContact O-N 2.91Å; C1108-F1112 WeakPolarHBondContact SG-CZ 3.48Å; K1109-F1112 PolarHBondContact O-N 3.23Å; L1110-F1112 VanDerWaalsContact C-N 3.28Å; L1110-F1112 PolarHBondContact O-N 2.89Å; F1112-L1115 HydrophobicContact CD1-CD1 4.48Å; F1112-M1116 WeakPolarHBondContact O-CG 3.17Å; F1112-M1116 PolarHBondContact O-N 2.94Å; F1112-P1122 HydrophobicContact CB-CG 3.71Å; F1112-P1122 HydrophobicContact CD1-CB 3.85Å; F1112-P1122 HydrophobicContact CD1-CG 3.92Å; F1112-P1122 HydrophobicContact CE1-CB 4.23Å; F1112-P1122 HydrophobicContact CG-CB 4.15Å; F1112-P1122 HydrophobicContact CG-CG 3.84Å; F1112-L1124 HydrophobicContact CE2-CD1 4.09Å; F1112-L1124 HydrophobicContact CE2-CD2 3.76Å; F1112-L1124 HydrophobicContact CE2-CG 4.31Å; F1112-L1124 HydrophobicContact CZ-CD2 3.99Å
1113Q94.3Very high94.8Very high78 Ų7875.3 Ų75.336%0.36437%0.366SS..Hα-helixtrans-68.7-40.8175.1-68.1-175.4-43.400112.2L1083 K1109 L1110 L1111 M1116 C1117L1083-Q1113 HydrophobicContact CD1-CG 4.36Å; K1109-Q1113 VanDerWaalsContact CE-CD 3.5Å; K1109-Q1113 VanDerWaalsContact NZ-CD 3.28Å; K1109-Q1113 WeakPolarHBondContact O-CG 3.33Å; K1109-Q1113 PolarHBondContact O-N 3.18Å; K1109-Q1113 VanDerWaalsContact O-N 3.14Å; L1110-Q1113 WeakPolarHBondContact O-CB 3.33Å; L1110-Q1113 PolarHBondContact O-N 3.15Å; L1111-Q1113 VanDerWaalsContact C-N 3.31Å; L1111-Q1113 PolarHBondContact O-N 3.39Å; Q1113-M1116 PolarHBondContact O-N 2.83Å; Q1113-C1117 PolarHBondContact O-N 3.25Å; Q1113-C1117 PolarHBondContact O-SG 3.41Å; Q1113-C1117 VanDerWaalsContact O-SG 3.35Å
1114E96.9Very high94.8Very high100 Ų10070 Ų7047%0.46735%0.349SS..Hα-helixtrans-61.5-44.4174.2-70.4179.2173.600111.3L1110 L1111 M1116 C1117 M1118L1110-E1114 PolarHBondContact O-N 3.08Å; L1111-E1114 PolarHBondContact O-N 2.9Å; E1114-M1116 PolarHBondContact O-N 2.98Å; E1114-C1117 WeakPolarHBondContact O-CB 3.33Å; E1114-C1117 PolarHBondContact O-N 3.44Å; E1114-M1118 WeakPolarHBondContact O-CG 3.42Å; E1114-M1118 PolarHBondContact O-N 2.92Å
1115L97.2Very high94.8Very high45 Ų4581 Ų8124%0.23639%0.389CS..Hα-helixtrans-60.8-42.6174.3-71.2175.8000111.8L1111 F1112 C1117 M1118 R1119 I1120L1111-L1115 HydrophobicContact CD1-CD1 4.35Å; L1111-L1115 HydrophobicContact CD1-CG 4.26Å; L1111-L1115 HydrophobicContact CG-CD1 4.12Å; L1111-L1115 HydrophobicContact CG-CG 4.43Å; L1111-L1115 WeakPolarHBondContact O-CB 3.23Å; L1111-L1115 VanDerWaalsContact O-CG 3.27Å; L1111-L1115 WeakPolarHBondContact O-CG 3.41Å; L1111-L1115 PolarHBondContact O-N 2.86Å; F1112-L1115 HydrophobicContact CD1-CD1 4.48Å; L1115-C1117 VanDerWaalsContact C-N 3.32Å; L1115-C1117 PolarHBondContact O-N 2.77Å; L1115-M1118 CarbonylContact O-C 3.56Å; L1115-M1118 WeakPolarHBondContact O-CA 3.44Å; L1115-M1118 WeakPolarHBondContact O-CB 3.35Å; L1115-M1118 PolarHBondContact O-N 3.22Å; L1115-R1119 PolarHBondContact O-N 2.81Å; L1115-I1120 CarbonylContact C-O 3.48Å; L1115-I1120 HydrophobicContact CB-CB 4.18Å; L1115-I1120 HydrophobicContact CB-CG2 4.41Å; L1115-I1120 HydrophobicContact CD2-CB 4.31Å; L1115-I1120 HydrophobicContact CD2-CD1 4.01Å; L1115-I1120 HydrophobicContact CD2-CG2 4.35Å; L1115-I1120 PolarHBondContact O-N 2.63Å
1116M93.8Very high94.4Very high59 Ų5981.9 Ų81.929%0.29139%0.391SS..Hα-helixtrans-60.2-40.7175.2-73177-167.200111.8L1082 F1112 Q1113 E1114 M1118 R1119 I1120 L1121 P1122L1082-M1116 HydrophobicContact CD2-CE 3.94Å; F1112-M1116 WeakPolarHBondContact O-CG 3.17Å; F1112-M1116 PolarHBondContact O-N 2.94Å; Q1113-M1116 PolarHBondContact O-N 2.83Å; E1114-M1116 PolarHBondContact O-N 2.98Å; M1116-M1118 VanDerWaalsContact C-N 3.26Å; M1116-M1118 PolarHBondContact O-N 2.77Å; M1116-R1119 PolarHBondContact O-N 3.49Å; M1116-I1120 WeakPolarHBondContact CA-O 3.38Å; M1116-I1120 PolarHBondContact N-O 3.37Å; M1116-L1121 HydrophobicContact CG-CD1 4.33Å; M1116-P1122 HydrophobicContact CE-CG 3.84Å; M1116-P1122 HydrophobicContact CG-CG 4.34Å
1117C95.4Very high93.9Very high114 Ų11490 Ų9077%0.7742%0.422SS*.Hα-helixtrans-63.2-32.7173.7-68.80000112.3Q1113 E1114 L1115 R1119Q1113-C1117 PolarHBondContact O-N 3.25Å; Q1113-C1117 PolarHBondContact O-SG 3.41Å; Q1113-C1117 VanDerWaalsContact O-SG 3.35Å; E1114-C1117 WeakPolarHBondContact O-CB 3.33Å; E1114-C1117 PolarHBondContact O-N 3.44Å; L1115-C1117 VanDerWaalsContact C-N 3.32Å; L1115-C1117 PolarHBondContact O-N 2.77Å; C1117-R1119 PolarHBondContact O-N 2.89Å
1118M97.1Very high93Very high136 Ų13692.3 Ų92.367%0.6744%0.441SS*.THydrogen-bonded Turntrans-80.68.2173.3-62.9175.870.200113.6E1114 L1115 M1116 I1120E1114-M1118 WeakPolarHBondContact O-CG 3.42Å; E1114-M1118 PolarHBondContact O-N 2.92Å; L1115-M1118 CarbonylContact O-C 3.56Å; L1115-M1118 WeakPolarHBondContact O-CA 3.44Å; L1115-M1118 WeakPolarHBondContact O-CB 3.35Å; L1115-M1118 PolarHBondContact O-N 3.22Å; M1116-M1118 VanDerWaalsContact C-N 3.26Å; M1116-M1118 PolarHBondContact O-N 2.77Å; M1118-I1120 PolarHBondContact O-N 2.91Å
1119R93.9Very high91.9Very high235 Ų23595 Ų9589%0.88747%0.466SS*.THydrogen-bonded Turntrans62.521-175.4-58.4-177.1173.1-179.8-1.9114.9L1115 M1116 C1117L1115-R1119 PolarHBondContact O-N 2.81Å; M1116-R1119 PolarHBondContact O-N 3.49Å; C1117-R1119 PolarHBondContact O-N 2.89Å
1120I95.4Very high89.9Confident92 Ų92102 Ų10247%0.47249%0.493SS..  trans-96.3114168.5-60.7170.7000106.4L1115 M1116 M1118 P1122L1115-I1120 CarbonylContact C-O 3.48Å; L1115-I1120 HydrophobicContact CB-CB 4.18Å; L1115-I1120 HydrophobicContact CB-CG2 4.41Å; L1115-I1120 HydrophobicContact CD2-CB 4.31Å; L1115-I1120 HydrophobicContact CD2-CD1 4.01Å; L1115-I1120 HydrophobicContact CD2-CG2 4.35Å; L1115-I1120 PolarHBondContact O-N 2.63Å; M1116-I1120 WeakPolarHBondContact CA-O 3.38Å; M1116-I1120 PolarHBondContact N-O 3.37Å; M1118-I1120 PolarHBondContact O-N 2.91Å; I1120-P1122 WeakPolarHBondContact O-CD 3.46Å
1121L91.7Very high87.5Confident82 Ų82109.9 Ų109.943%0.42953%0.528SS..  trans-96.6100.1-173.3-165.880000111.2L1082 M1116 R1123L1082-L1121 HydrophobicContact CD1-CD1 4.41Å; L1082-L1121 HydrophobicContact CD2-CD1 3.64Å; L1082-L1121 HydrophobicContact CD2-CD2 4.06Å; L1082-L1121 HydrophobicContact CD2-CG 3.72Å; M1116-L1121 HydrophobicContact CG-CD1 4.33Å; L1121-R1123 HydrophobicContact CD2-CG 4.01Å; L1121-R1123 HydrophobicContact CG-CG 4.36Å; L1121-R1123 PolarHBondContact O-N 3.46Å
1122P93.1Very high84.7Confident24 Ų24110.3 Ų110.316%0.15654%0.538CS..  trans-76.894.117931.8-35.4000110.2F1112 M1116 I1120 L1124F1112-P1122 HydrophobicContact CB-CG 3.71Å; F1112-P1122 HydrophobicContact CD1-CB 3.85Å; F1112-P1122 HydrophobicContact CD1-CG 3.92Å; F1112-P1122 HydrophobicContact CE1-CB 4.23Å; F1112-P1122 HydrophobicContact CG-CB 4.15Å; F1112-P1122 HydrophobicContact CG-CG 3.84Å; M1116-P1122 HydrophobicContact CE-CG 3.84Å; M1116-P1122 HydrophobicContact CG-CG 4.34Å; I1120-P1122 WeakPolarHBondContact O-CD 3.46Å; P1122-L1124 PolarHBondContact O-N 3Å
1123R91.9Very high81.8Confident136 Ų136113.7 Ų113.751%0.51357%0.566SS.*  trans-82.8114.5174.5-66.3-175.1-178-96.14.3110.2C1080 L1082 L1121C1080-R1123 PolarHBondContact O-NH1 2.95Å; L1082-R1123 HydrophobicContact CD2-CG 4.46Å; L1121-R1123 HydrophobicContact CD2-CG 4.01Å; L1121-R1123 HydrophobicContact CG-CG 4.36Å; L1121-R1123 PolarHBondContact O-N 3.46Å
1124L92.6Very high79.4Confident42 Ų42117.3 Ų117.322%0.2259%0.586CS.*  trans-79137.4174.2-61174.2000110.5V1076 G1081 M1104 F1112 P1122V1076-L1124 HydrophobicContact CG1-CB 4.03Å; V1076-L1124 HydrophobicContact CG1-CD1 3.97Å; V1076-L1124 HydrophobicContact CG2-CD1 3.68Å; G1081-L1124 WeakPolarHBondContact CA-O 3.31Å; G1081-L1124 WeakPolarHBondContact O-CB 3.49Å; G1081-L1124 PolarHBondContact O-N 3.03Å; M1104-L1124 HydrophobicContact CE-CD1 4.13Å; F1112-L1124 HydrophobicContact CE2-CD1 4.09Å; F1112-L1124 HydrophobicContact CE2-CD2 3.76Å; F1112-L1124 HydrophobicContact CE2-CG 4.31Å; F1112-L1124 HydrophobicContact CZ-CD2 3.99Å; P1122-L1124 PolarHBondContact O-N 3Å
1125R91.3Very high76.8Confident247 Ų247120.4 Ų120.493%0.93260%0.6SS**  trans-107.3121.1167-69.7-174.1179.9177.80.5108.1
1126L88.3Confident74Confident62 Ų62124.7 Ų124.733%0.32563%0.628SS.*  trans-93.6141.8179.4-53.9-176.8000109.4V1076 E1078 V1100 V1102V1076-L1126 HydrophobicContact CB-CD1 4.05Å; V1076-L1126 HydrophobicContact CG1-CD1 3.96Å; V1076-L1126 HydrophobicContact CG1-CD2 4.26Å; V1076-L1126 HydrophobicContact CG1-CG 4.27Å; E1078-L1126 HydrophobicContact CG-CD1 4.16Å; V1100-L1126 HydrophobicContact CB-CD1 4.03Å; V1102-L1126 HydrophobicContact CG2-CD1 4.09Å; V1102-L1126 HydrophobicContact CG2-CD2 3.71Å
1127R85Confident71.6Confident196 Ų196131.7 Ų131.774%0.7466%0.657SS**  trans-126.5140.8172.1-168.3176-173.2-172.7-5.9107.4A1129 Y1130R1127-A1129 PolarHBondContact O-N 3.23Å; R1127-Y1130 PolarHBondContact NH2-OH 3.18Å
1128A77.4Confident69.3Low83 Ų83131.9 Ų131.969%0.68666%0.66SS**  trans-58.1138.517200000109.8Y1130A1128-Y1130 PolarHBondContact O-N 3.13Å
1129A70.9Confident66.2Low95 Ų95138.6 Ų138.679%0.78569%0.685SS**  trans-65.5118.5169.800000107.9R1127 H1131R1127-A1129 PolarHBondContact O-N 3.23Å; A1129-H1131 PolarHBondContact O-N 3.32Å; A1129-H1131 VanDerWaalsContact O-N 3.11Å
1130Y53.3Low64.8Low174 Ų174133.8 Ų133.868%0.68268%0.675SS**  trans-64.6113.7176.1-85.5-100.3000109.2R1127 A1128 S1132R1127-Y1130 PolarHBondContact NH2-OH 3.18Å; A1128-Y1130 PolarHBondContact O-N 3.13Å; Y1130-S1132 PolarHBondContact O-N 3.25Å
1131H45Very low63.2Low191 Ų191136 Ų13688%0.88469%0.686SS**  trans-79.293.2151.6-80.1-31.3000107.4A1129 S1133A1129-H1131 PolarHBondContact O-N 3.32Å; A1129-H1131 VanDerWaalsContact O-N 3.11Å; H1131-S1133 PolarHBondContact O-N 3.2Å; H1131-S1133 VanDerWaalsContact O-N 3.1Å
1132S38.2Very low61.6Low92 Ų92139 Ų13964%0.64370%0.7SS**  trans-70.298.8167.753.60000108.9Y1130 I1134Y1130-S1132 PolarHBondContact O-N 3.25Å; S1132-I1134 PolarHBondContact O-N 2.88Å; S1132-I1134 VanDerWaalsContact O-N 3.12Å
1133S35.9Very low59.7Low104 Ų104145.8 Ų145.873%0.72773%0.732SS**  trans-65.5101159.850.50000108.2H1131 H1135H1131-S1133 PolarHBondContact O-N 3.2Å; H1131-S1133 VanDerWaalsContact O-N 3.1Å; S1133-H1135 PolarHBondContact O-N 3.42Å
1134I42.4Very low57.7Low155 Ų155146.4 Ų146.480%0.79575%0.746SS**  trans-72.3108.9172.1-66.6172.7000107S1132S1132-I1134 PolarHBondContact O-N 2.88Å; S1132-I1134 VanDerWaalsContact O-N 3.12Å
1135H42.9Very low55.4Low165 Ų165153.3 Ų153.376%0.76478%0.781SS**  trans-55.3135.4170.6-91.5-82.4000111.4S1133 K1137S1133-H1135 PolarHBondContact O-N 3.42Å; H1135-K1137 PolarHBondContact O-N 3.49Å
1136T37.8Very low52.8Low134 Ų134146.6 Ų146.682%0.82277%0.77SS**  trans-44122.1159.836.20000112.1
1137K43.3Very low50.1Low207 Ų207153.2 Ų153.290%0.980%0.804SS**  trans-99.5111.7149.6-88.9-173.7175.7-179.50107.1H1135 K1139H1135-K1137 PolarHBondContact O-N 3.49Å; K1137-K1139 PolarHBondContact O-N 2.94Å
1138S47.2Very low47.2Very low117 Ų117149.6 Ų149.682%0.81881%0.81SS**  trans-64.9116.7170.651.80000111.3
1139K32.2Very low44.5Very low278 Ų278155.6 Ų155.6100%1.20982%0.821SS**  -138.40115.4-98.9-168177.4-176.50107.9K1137K1137-K1139 PolarHBondContact O-N 2.94Å

Retrieved 1,139 of 1,139 residues in 1409.4 ms (Link to these results)

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