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GTP-binding nuclear protein ran-1

Ran GTPase system comprises ran-1, ran-2 and ran-3 and is essential in nucleocytoplasmic transport. Ran-1 is a GTP-binding protein that mediates the interaction between mitotic chromosomes and kinetochore microtubules. Plays a crucial role in nuclear envelope assembly at the end of each cell division. Required for the import of protein into the nucleus and also for RNA export. RCC1 (ran-3)/Ran (ran-1) complex (together with other proteins) acts as a component of a signal transmission pathway that detects unreplicated DNA.

AlphaFold DB , UniProt , Accession O17915, Species CAEEL (Caenorhabditis elegans), Gene ran-1, Length 215 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
1M41.5Very low79.1Confident220 Ų22068.6 Ų68.6100%1.08446%0.464SS*.  0117.10-65.9179.4-167.200107.1G3M1-G3 PolarHBondContact O-N 3.31Å
2S45.9Very low80.7Confident103 Ų10362.9 Ų62.972%0.7243%0.425SS*.  trans-64.4114.7174.246.80000108.9
3G52.7Low82Confident36 Ų3658.1 Ų58.137%0.37139%0.392SS..  trans-55.7149.2158.800000108.5M1 D5 G6M1-G3 PolarHBondContact O-N 3.31Å; G3-D5 PolarHBondContact O-N 2.87Å; G3-G6 PolarHBondContact O-N 2.9Å; G3-G6 VanDerWaalsContact O-N 3.17Å
4G67.7Low83.1Confident97 Ų9754 Ų54100%137%0.365SS*.THydrogen-bonded Turntrans-61.19.9-165.600000117.7
5D86.9Confident84Confident84 Ų8450.4 Ų50.445%0.44934%0.34SS..THydrogen-bonded Turntrans-101-6.117656.920.9000114.2G3 I7 R59G3-D5 PolarHBondContact O-N 2.87Å; D5-I7 HydrophobicContact CB-CD1 4.36Å; D5-I7 HydrophobicContact CB-CG1 4.34Å; D5-I7 PolarHBondContact O-N 3.5Å; D5-I7 WeakPolarHBondContact OD1-CB 3.38Å; D5-I7 PolarHBondContact OD1-N 2.93Å; D5-R59 IonicContact OD1-NH1 2.66Å; D5-R59 PolarHBondContact OD1-NH1 2.81Å; D5-R59 IonicContact OD2-CZ 3.26Å; D5-R59 VanDerWaalsContact OD2-CZ 3.23Å; D5-R59 IonicContact OD2-NH1 2.81Å; D5-R59 PolarHBondContact OD2-NH1 3.37Å; D5-R59 IonicContact OD2-NH2 2.9Å; D5-R59 PolarHBondContact OD2-NH2 2.84Å
6G90.3Very high84.8Confident58 Ų5847.3 Ų47.360%0.59832%0.32SS*.  trans75.25.1179.600000114.9G3 P8G3-G6 PolarHBondContact O-N 2.9Å; G3-G6 VanDerWaalsContact O-N 3.17Å; G6-P8 WeakPolarHBondContact O-CD 3.41Å
7I95Very high85.4Confident23 Ų2345.5 Ų45.512%0.11831%0.306CS..  trans-75.4122.3178.3-61.1172.7000109D5 T9 Q57 R59D5-I7 HydrophobicContact CB-CD1 4.36Å; D5-I7 HydrophobicContact CB-CG1 4.34Å; D5-I7 PolarHBondContact O-N 3.5Å; D5-I7 WeakPolarHBondContact OD1-CB 3.38Å; D5-I7 PolarHBondContact OD1-N 2.93Å; I7-T9 PolarHBondContact O-N 3.05Å; I7-T9 PolarHBondContact O-OG1 3.05Å; I7-Q57 HydrophobicContact CD1-CB 4.42Å; I7-Q57 HydrophobicContact CG1-CB 4.42Å; I7-Q57 HydrophobicContact CG2-CB 4.07Å; I7-R59 HydrophobicContact CG2-CB 4.01Å
8P96.2Very high85.9Confident62 Ų6244.3 Ų44.340%0.40330%0.303SS..  trans-51.4115.1172.3-2735.2000110.8G6 F10 R59G6-P8 WeakPolarHBondContact O-CD 3.41Å; P8-F10 HydrophobicContact CB-CE2 4.09Å; P8-F10 HydrophobicContact CB-CZ 4.33Å; P8-R59 PolarHBondContact O-N 3.11Å
9T97.7Very high86.4Confident25 Ų2543.4 Ų43.415%0.15330%0.302CS..EExtended strand (participates in β ladder)trans-119.5126.7-171.6-61.20000110I7 R59 N61I7-T9 PolarHBondContact O-N 3.05Å; I7-T9 PolarHBondContact O-OG1 3.05Å; T9-R59 CarbonylContact C-O 3.56Å; T9-R59 VanDerWaalsContact CA-O 3.31Å; T9-R59 WeakPolarHBondContact CA-O 3.33Å; T9-R59 HydrophobicContact CG2-CB 4.2Å; T9-R59 HydrophobicContact CG2-CG 4.11Å; T9-R59 PolarHBondContact OG1-NH1 2.96Å; T9-N61 WeakPolarHBondContact CG2-ND2 3.4Å
10F98.2Very high86.9Confident23 Ų2341.3 Ų41.310%0.10129%0.287CS..EExtended strand (participates in β ladder)trans-118.5134.7-177.3-56.8-81.7000111.2P8 L12 R59 F60 N61 Q83 L167 L168P8-F10 HydrophobicContact CB-CE2 4.09Å; P8-F10 HydrophobicContact CB-CZ 4.33Å; F10-L12 PolarHBondContact O-N 3.09Å; F10-R59 PolarHBondContact N-O 3Å; F10-F60 HydrophobicContact CB-CD1 3.97Å; F10-F60 HydrophobicContact CB-CE1 4.14Å; F10-F60 HydrophobicContact CD2-CE1 4.48Å; F10-F60 CarbonylContact O-C 3.57Å; F10-F60 WeakPolarHBondContact O-CA 3.48Å; F10-N61 PolarHBondContact O-N 3.33Å; F10-Q83 VanDerWaalsContact CA-OE1 3.3Å; F10-L167 HydrophobicContact CB-CD1 4.03Å; F10-L167 HydrophobicContact CD1-CB 4.23Å; F10-L167 HydrophobicContact CD1-CD1 3.87Å; F10-L167 HydrophobicContact CD1-CD2 4.02Å; F10-L167 HydrophobicContact CD1-CG 4.28Å; F10-L167 HydrophobicContact CD2-CD1 4.17Å; F10-L167 HydrophobicContact CE1-CB 3.92Å; F10-L167 HydrophobicContact CE1-CD1 4.38Å; F10-L167 HydrophobicContact CE1-CD2 4.31Å; F10-L167 HydrophobicContact CE1-CG 4.45Å; F10-L167 HydrophobicContact CG-CD1 3.75Å; F10-L167 HydrophobicContact CZ-CB 4.1Å; F10-L168 HydrophobicContact CE2-CD2 4.32Å; F10-L168 HydrophobicContact CZ-CD2 3.87Å; F10-L168 HydrophobicContact CZ-CG 4.4Å
11K98Very high87.4Confident24 Ų2439.9 Ų39.910%0.10428%0.279CS..EExtended strand (participates in β ladder)trans-75.7114.6169.1179.8169.4171172.90109.7W63 Y78 I80 Q83 C84K11-W63 HydrophobicContact CD-CD2 4.38Å; K11-W63 HydrophobicContact CD-CZ2 4.29Å; K11-W63 HydrophobicContact CG-CG 4.41Å; K11-Y78 WeakPolarHBondContact CE-O 3.43Å; K11-Y78 PolarHBondContact NZ-O 3.29Å; K11-I80 PolarHBondContact NZ-O 2.88Å; K11-Q83 PolarHBondContact O-N 3.39Å; K11-C84 PolarHBondContact O-N 2.86Å
12L98.5Very high90Very high0 Ų029.9 Ų29.90%023%0.23CC..EExtended strand (participates in β ladder)trans-104.6120.8173.6-172.3154.7000109.3F10 L14 F60 N61 V62 W63 C84 I86 F160 L163F10-L12 PolarHBondContact O-N 3.09Å; L12-L14 HydrophobicContact CD2-CB 4.15Å; L12-F60 HydrophobicContact CB-CB 4.27Å; L12-F60 HydrophobicContact CB-CD1 4Å; L12-F60 HydrophobicContact CD1-CB 4.41Å; L12-F60 HydrophobicContact CD1-CD1 3.82Å; L12-F60 HydrophobicContact CD1-CE1 4.28Å; L12-F60 HydrophobicContact CD1-CG 4.16Å; L12-N61 PolarHBondContact N-O 3.31Å; L12-V62 HydrophobicContact CB-CG2 4.28Å; L12-V62 HydrophobicContact CD2-CG1 3.88Å; L12-V62 HydrophobicContact CD2-CG2 4.24Å; L12-V62 CarbonylContact O-C 3.57Å; L12-V62 WeakPolarHBondContact O-CA 3.36Å; L12-W63 PolarHBondContact O-N 2.81Å; L12-C84 WeakPolarHBondContact CA-O 3.22Å; L12-I86 HydrophobicContact CD1-CD1 4.06Å; L12-I86 HydrophobicContact CD1-CG1 4.3Å; L12-I86 HydrophobicContact CD2-CB 4.44Å; L12-I86 HydrophobicContact CD2-CD1 4.19Å; L12-I86 HydrophobicContact CD2-CG1 4.18Å; L12-F160 HydrophobicContact CD1-CD1 4.03Å; L12-F160 HydrophobicContact CD1-CE1 3.75Å; L12-L163 HydrophobicContact CD1-CD1 3.54Å; L12-L163 HydrophobicContact CG-CD1 4.36Å
13V97.2Very high92.4Very high0 Ų026 Ų260%020%0.202CC..EExtended strand (participates in β ladder)trans-92.3120.8175.41770000109.4V15 Y79 C84 A85 I86 L107V13-V15 HydrophobicContact CG1-CG1 3.72Å; V13-Y79 HydrophobicContact CG1-CD1 3.53Å; V13-Y79 HydrophobicContact CG1-CE1 3.76Å; V13-C84 PolarHBondContact N-O 2.98Å; V13-A85 HydrophobicContact CB-CB 4.25Å; V13-A85 CarbonylContact O-C 3.47Å; V13-A85 WeakPolarHBondContact O-CA 3.45Å; V13-A85 VanDerWaalsContact O-CB 3.31Å; V13-A85 WeakPolarHBondContact O-CB 3.5Å; V13-I86 PolarHBondContact O-N 3.37Å; V13-L107 HydrophobicContact CB-CD1 4.24Å; V13-L107 HydrophobicContact CG1-CD1 3.98Å
14L97.6Very high94.4Very high1 Ų125.5 Ų25.51%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-107.2113177.9177.361.8000110.2L12 K22 V26 V62 W63 T65 I86 M88L12-L14 HydrophobicContact CD2-CB 4.15Å; L14-K22 HydrophobicContact CD1-CB 4.44Å; L14-K22 HydrophobicContact CD1-CD 4.38Å; L14-K22 HydrophobicContact CD1-CG 4.1Å; L14-K22 HydrophobicContact CD2-CB 3.65Å; L14-K22 HydrophobicContact CD2-CG 4.21Å; L14-K22 HydrophobicContact CG-CB 3.88Å; L14-K22 HydrophobicContact CG-CD 4Å; L14-K22 HydrophobicContact CG-CG 3.92Å; L14-V26 HydrophobicContact CD2-CG2 3.28Å; L14-V62 HydrophobicContact CB-CG1 3.98Å; L14-V62 HydrophobicContact CD2-CG1 4.24Å; L14-W63 PolarHBondContact N-O 2.84Å; L14-T65 PolarHBondContact O-N 3.23Å; L14-T65 PolarHBondContact O-OG1 3.29Å; L14-I86 HydrophobicContact CD1-CB 3.69Å; L14-I86 HydrophobicContact CD1-CG2 3.6Å; L14-M88 HydrophobicContact CD1-CB 4.47Å; L14-M88 HydrophobicContact CD1-CE 4.29Å
15V96.3Very high95.7Very high0 Ų020.9 Ų20.90%014%0.144CC..EExtended strand (participates in β ladder)trans-128.6167.7-173.4-710000112.3V13 K22 T65 Y79 I86 I87 M88 W103V13-V15 HydrophobicContact CG1-CG1 3.72Å; V15-K22 VanDerWaalsContact C-CD 3.46Å; V15-K22 WeakPolarHBondContact O-CD 3.5Å; V15-T65 HydrophobicContact CG1-CG2 4.34Å; V15-T65 WeakPolarHBondContact CG1-OG1 3.37Å; V15-Y79 HydrophobicContact CG1-CE1 3.49Å; V15-Y79 VanDerWaalsContact CG1-CE1 3.49Å; V15-I86 PolarHBondContact N-O 3.38Å; V15-I87 HydrophobicContact CG2-CB 4.29Å; V15-I87 HydrophobicContact CG2-CG1 3.78Å; V15-I87 HydrophobicContact CG2-CG2 4.39Å; V15-I87 WeakPolarHBondContact O-CA 3.33Å; V15-M88 PolarHBondContact O-N 3.02Å; V15-W103 HydrophobicContact CB-CD2 4.32Å; V15-W103 HydrophobicContact CB-CE3 3.72Å; V15-W103 HydrophobicContact CB-CZ3 4.14Å; V15-W103 HydrophobicContact CG1-CE3 4.1Å; V15-W103 HydrophobicContact CG1-CZ3 4.23Å; V15-W103 HydrophobicContact CG2-CB 4.46Å
16G96.8Very high96.1Very high1 Ų116.9 Ų16.91%0.0112%0.123CC..  trans133.7167.3-177.300000111.4K22 G67 M88 W103G16-K22 WeakPolarHBondContact O-CE 3.42Å; G16-K22 PolarHBondContact O-NZ 3.01Å; G16-G67 WeakPolarHBondContact O-CA 3.31Å; G16-M88 WeakPolarHBondContact CA-O 3.41Å; G16-W103 VanDerWaalsContact C-CE2 3.42Å; G16-W103 VanDerWaalsContact C-CZ2 3.47Å; G16-W103 WeakPolarHBondContact O-CZ2 3.47Å
17D95.8Very high96.2Very high17 Ų1717.1 Ų17.19%0.09111%0.107CC..  trans-56159.3-175.4-77.318.1000113.6T20 K22 G67 T96 N99 W103D17-T20 HydrophobicContact CB-CG2 3.84Å; D17-T20 WeakPolarHBondContact O-CG2 3.34Å; D17-T20 PolarHBondContact O-N 2.94Å; D17-T20 PolarHBondContact O-OG1 2.9Å; D17-K22 PolarHBondContact O-NZ 3.32Å; D17-G67 CarbonylContact C-O 3.6Å; D17-T96 HydrophobicContact CB-CG2 3.83Å; D17-T96 WeakPolarHBondContact OD2-CA 3.27Å; D17-N99 WeakPolarHBondContact OD1-CB 3.29Å; D17-N99 PolarHBondContact OD1-ND2 2.79Å; D17-N99 PolarHBondContact OD2-ND2 2.94Å; D17-W103 PolarHBondContact OD1-NE1 3.39Å
18G94.4Very high96Very high24 Ų2416.1 Ų16.125%0.24710%0.102CC..THydrogen-bonded Turntrans-57.4141.4169.700000112.1T20 G67G18-T20 PolarHBondContact O-N 2.88Å; G18-G67 PolarHBondContact N-O 2.99Å
19G94.5Very high95.8Very high27 Ų2714 Ų1428%0.2789%0.086SC..THydrogen-bonded Turntrans76.21176.600000115.8G21 Y38 K122G19-G21 PolarHBondContact O-N 2.65Å; G19-Y38 PolarHBondContact N-OH 3.25Å; G19-K122 WeakPolarHBondContact O-CE 3.47Å; G19-K122 PolarHBondContact O-NZ 3.13Å
20T97Very high95.4Very high0 Ų016.6 Ų16.60%010%0.099CC..SBendtrans-68.4-18.2176.156.70000113.6D17 G18 D90 T96 N121D17-T20 HydrophobicContact CB-CG2 3.84Å; D17-T20 WeakPolarHBondContact O-CG2 3.34Å; D17-T20 PolarHBondContact O-N 2.94Å; D17-T20 PolarHBondContact O-OG1 2.9Å; G18-T20 PolarHBondContact O-N 2.88Å; T20-D90 HydrophobicContact CG2-CB 4.25Å; T20-T96 HydrophobicContact CG2-CG2 3.88Å; T20-N121 PolarHBondContact O-ND2 3.13Å
21G96.4Very high94.9Very high13 Ų1319.2 Ų19.213%0.13412%0.117CC..SBendtrans105.214.7175.400000115.3G19 T23 T24 F25G19-G21 PolarHBondContact O-N 2.65Å; G21-T23 PolarHBondContact O-N 2.91Å; G21-T24 PolarHBondContact O-N 2.95Å; G21-F25 WeakPolarHBondContact O-CB 3.45Å; G21-F25 PolarHBondContact O-N 2.72Å
22K96.8Very high94.3Very high9 Ų918.2 Ų18.24%0.03911%0.113CC..Hα-helixtrans-49.5-57.6178.4-63.2-175.9-52.6-72.50113.2L14 V15 G16 D17 T24 F25 V26 D64 T65 M88L14-K22 HydrophobicContact CD1-CB 4.44Å; L14-K22 HydrophobicContact CD1-CD 4.38Å; L14-K22 HydrophobicContact CD1-CG 4.1Å; L14-K22 HydrophobicContact CD2-CB 3.65Å; L14-K22 HydrophobicContact CD2-CG 4.21Å; L14-K22 HydrophobicContact CG-CB 3.88Å; L14-K22 HydrophobicContact CG-CD 4Å; L14-K22 HydrophobicContact CG-CG 3.92Å; V15-K22 VanDerWaalsContact C-CD 3.46Å; V15-K22 WeakPolarHBondContact O-CD 3.5Å; G16-K22 WeakPolarHBondContact O-CE 3.42Å; G16-K22 PolarHBondContact O-NZ 3.01Å; D17-K22 PolarHBondContact O-NZ 3.32Å; K22-T24 VanDerWaalsContact C-N 3.35Å; K22-T24 PolarHBondContact O-N 2.84Å; K22-F25 WeakPolarHBondContact O-CB 3.38Å; K22-F25 PolarHBondContact O-N 2.88Å; K22-F25 VanDerWaalsContact O-N 3.12Å; K22-V26 WeakPolarHBondContact O-CG2 3.39Å; K22-V26 PolarHBondContact O-N 3.04Å; K22-D64 VanDerWaalsContact CB-OD1 3.31Å; K22-D64 WeakPolarHBondContact CB-OD1 3.3Å; K22-T65 WeakPolarHBondContact CE-O 3.12Å; K22-M88 HydrophobicContact CG-CB 4.04Å; K22-M88 HydrophobicContact CG-SD 4.09Å; K22-M88 PolarHBondContact N-SD 3.33Å
23T95.2Very high93.6Very high21 Ų2124.6 Ų24.613%0.12914%0.143CC..Hα-helixtrans-60.6-42.7179.3-46.60000112.3G21 F25 V26 K27 T41 D64G21-T23 PolarHBondContact O-N 2.91Å; T23-F25 VanDerWaalsContact C-N 3.32Å; T23-F25 PolarHBondContact O-N 3.3Å; T23-V26 PolarHBondContact O-N 3.49Å; T23-K27 HydrophobicContact CG2-CD 4.04Å; T23-K27 HydrophobicContact CG2-CG 4.27Å; T23-K27 WeakPolarHBondContact O-CB 3.47Å; T23-K27 WeakPolarHBondContact O-CG 3.44Å; T23-K27 PolarHBondContact O-N 3.41Å; T23-T41 PolarHBondContact OG1-OG1 3.17Å; T23-D64 VanDerWaalsContact CA-OD2 3.27Å; T23-D64 WeakPolarHBondContact CA-OD2 3.35Å; T23-D64 VanDerWaalsContact CB-OD2 3.25Å; T23-D64 WeakPolarHBondContact CB-OD2 3.23Å; T23-D64 WeakPolarHBondContact CG2-OD2 3.42Å; T23-D64 PolarHBondContact OG1-OD2 3.06Å
24T95.3Very high93Very high26 Ų2626.7 Ų26.716%0.1615%0.152CC..Hα-helixtrans-60.9-42.8175.6-530000111G21 K22 R28 F34 E35 A150G21-T24 PolarHBondContact O-N 2.95Å; K22-T24 VanDerWaalsContact C-N 3.35Å; K22-T24 PolarHBondContact O-N 2.84Å; T24-R28 WeakPolarHBondContact O-CB 3.49Å; T24-R28 PolarHBondContact O-N 3.21Å; T24-F34 HydrophobicContact CG2-CD2 3.57Å; T24-F34 HydrophobicContact CG2-CE2 3.4Å; T24-F34 HydrophobicContact CG2-CG 4.43Å; T24-F34 HydrophobicContact CG2-CZ 4.13Å; T24-E35 HydrophobicContact CG2-CB 4.46Å; T24-A150 HydrophobicContact CG2-CB 4.2Å
25F95.9Very high92.4Very high1 Ų130.1 Ų30.10%0.00417%0.168CC..Hα-helixtrans-62.8-41.5177.5176.3-99000112.5G21 K22 T23 H29 I86 M88 I148 A150 F156 P159 F160G21-F25 WeakPolarHBondContact O-CB 3.45Å; G21-F25 PolarHBondContact O-N 2.72Å; K22-F25 WeakPolarHBondContact O-CB 3.38Å; K22-F25 PolarHBondContact O-N 2.88Å; K22-F25 VanDerWaalsContact O-N 3.12Å; T23-F25 VanDerWaalsContact C-N 3.32Å; T23-F25 PolarHBondContact O-N 3.3Å; F25-H29 AromaticContact CE2-CE1 3.59Å; F25-H29 AromaticContact CZ-CE1 3.54Å; F25-H29 PolarHBondContact O-N 3.35Å; F25-H29 PolarHBondContact O-ND1 2.86Å; F25-I86 HydrophobicContact CE1-CD1 4.07Å; F25-M88 HydrophobicContact CB-CE 3.76Å; F25-M88 HydrophobicContact CD1-CE 3.91Å; F25-M88 HydrophobicContact CD2-CE 4.21Å; F25-M88 HydrophobicContact CG-CE 3.71Å; F25-I148 HydrophobicContact CD2-CD1 3.71Å; F25-I148 HydrophobicContact CE2-CD1 3.67Å; F25-I148 HydrophobicContact CZ-CD1 4.45Å; F25-A150 HydrophobicContact CB-CB 4.32Å; F25-F156 AromaticContact CD2-CD2 3.59Å; F25-F156 HydrophobicContact CD2-CD2 3.59Å; F25-F156 AromaticContact CD2-CE2 3.28Å; F25-F156 HydrophobicContact CD2-CE2 3.28Å; F25-F156 HydrophobicContact CD2-CZ 4.24Å; F25-F156 AromaticContact CE2-CD2 3.56Å; F25-F156 HydrophobicContact CE2-CD2 3.56Å; F25-F156 AromaticContact CE2-CE2 3.67Å; F25-F156 HydrophobicContact CE2-CE2 3.67Å; F25-F156 HydrophobicContact CE2-CG 4.35Å; F25-F156 HydrophobicContact CG-CE2 4.09Å; F25-F156 VanDerWaalsContact O-CZ 3.25Å; F25-F156 WeakPolarHBondContact O-CZ 3.38Å; F25-P159 HydrophobicContact CZ-CG 4.38Å; F25-F160 HydrophobicContact CE1-CD2 4.47Å; F25-F160 AromaticContact CE1-CE2 3.4Å; F25-F160 HydrophobicContact CE1-CE2 3.4Å; F25-F160 AromaticContact CE1-CZ 3.71Å; F25-F160 HydrophobicContact CE1-CZ 3.71Å; F25-F160 HydrophobicContact CZ-CD2 4.16Å; F25-F160 AromaticContact CZ-CE2 3.42Å; F25-F160 HydrophobicContact CZ-CE2 3.42Å; F25-F160 VanDerWaalsContact CZ-CE2 3.42Å; F25-F160 HydrophobicContact CZ-CZ 4.21Å
26V94.9Very high91.9Very high0 Ų037.2 Ų37.20%020%0.199CC..Hα-helixtrans-70.7-51.7177.5176.50000111.5L14 K22 T23 R28 H29 L30 H47 V62 D64L14-V26 HydrophobicContact CD2-CG2 3.28Å; K22-V26 WeakPolarHBondContact O-CG2 3.39Å; K22-V26 PolarHBondContact O-N 3.04Å; T23-V26 PolarHBondContact O-N 3.49Å; V26-R28 VanDerWaalsContact C-N 3.25Å; V26-R28 PolarHBondContact O-N 3.07Å; V26-H29 WeakPolarHBondContact O-CB 3.28Å; V26-H29 PolarHBondContact O-N 3.36Å; V26-L30 PolarHBondContact O-N 3.05Å; V26-H47 HydrophobicContact CG1-CB 3.48Å; V26-H47 VanDerWaalsContact CG1-CB 3.48Å; V26-V62 HydrophobicContact CG1-CB 4.46Å; V26-V62 HydrophobicContact CG1-CG1 4.39Å; V26-V62 HydrophobicContact CG2-CB 4.47Å; V26-V62 HydrophobicContact CG2-CG1 3.61Å; V26-D64 HydrophobicContact CG2-CB 4.44Å
27K92.4Very high91.5Very high63 Ų6344.3 Ų44.327%0.27423%0.23SC..Hα-helixtrans-58.9-39.4179.9-74.4-173.5175.6-175.50111.7T23 H29 L30 T31 E35T23-K27 HydrophobicContact CG2-CD 4.04Å; T23-K27 HydrophobicContact CG2-CG 4.27Å; T23-K27 WeakPolarHBondContact O-CB 3.47Å; T23-K27 WeakPolarHBondContact O-CG 3.44Å; T23-K27 PolarHBondContact O-N 3.41Å; K27-H29 VanDerWaalsContact C-N 3.3Å; K27-H29 PolarHBondContact O-N 2.86Å; K27-L30 PolarHBondContact O-N 3.4Å; K27-T31 PolarHBondContact O-N 3.46Å; K27-T31 PolarHBondContact O-OG1 2.97Å; K27-T31 VanDerWaalsContact O-OG1 3.13Å; K27-E35 IonicContact NZ-OE2 3.27Å
28R91.5Very high91.1Very high2 Ų249.8 Ų49.81%0.00825%0.25CS..Hα-helixtrans-64-32.8177.4-177.875.5170.6-173.4-10.5112.4T24 V26 G32 E33 N153 F156 L181 A182 P183T24-R28 WeakPolarHBondContact O-CB 3.49Å; T24-R28 PolarHBondContact O-N 3.21Å; V26-R28 VanDerWaalsContact C-N 3.25Å; V26-R28 PolarHBondContact O-N 3.07Å; R28-G32 VanDerWaalsContact CD-O 3.24Å; R28-G32 WeakPolarHBondContact CD-O 3.38Å; R28-G32 PolarHBondContact NE-O 3.4Å; R28-G32 PolarHBondContact NH1-O 3Å; R28-G32 WeakPolarHBondContact O-CA 3.25Å; R28-G32 PolarHBondContact O-N 3.46Å; R28-G32 VanDerWaalsContact O-N 3.09Å; R28-E33 WeakPolarHBondContact CA-O 3.49Å; R28-E33 VanDerWaalsContact CD-C 3.44Å; R28-E33 WeakPolarHBondContact CD-O 3.44Å; R28-N153 PolarHBondContact NE-OD1 2.85Å; R28-N153 PolarHBondContact NH2-OD1 3.04Å; R28-F156 HydrophobicContact CB-CE1 4.3Å; R28-F156 HydrophobicContact CB-CE2 4.19Å; R28-F156 HydrophobicContact CB-CZ 3.49Å; R28-F156 VanDerWaalsContact CB-CZ 3.49Å; R28-F156 HydrophobicContact CG-CE1 3.88Å; R28-F156 HydrophobicContact CG-CE2 4.02Å; R28-F156 HydrophobicContact CG-CZ 3.38Å; R28-L181 WeakPolarHBondContact O-CD2 3.3Å; R28-A182 PolarHBondContact NH2-O 2.78Å; R28-P183 PolarHBondContact NH2-O 2.83Å
29H91.8Very high90.9Very high16 Ų1653.3 Ų53.37%0.07427%0.267CS..Hα-helixtrans-72.1-32.5169.5-79.690.6000113F25 V26 K27 L49 F51 F156 F160F25-H29 AromaticContact CE2-CE1 3.59Å; F25-H29 AromaticContact CZ-CE1 3.54Å; F25-H29 PolarHBondContact O-N 3.35Å; F25-H29 PolarHBondContact O-ND1 2.86Å; V26-H29 WeakPolarHBondContact O-CB 3.28Å; V26-H29 PolarHBondContact O-N 3.36Å; K27-H29 VanDerWaalsContact C-N 3.3Å; K27-H29 PolarHBondContact O-N 2.86Å; H29-L49 HydrophobicContact CB-CD1 3.65Å; H29-L49 HydrophobicContact CB-CD2 3.96Å; H29-L49 HydrophobicContact CB-CG 4.43Å; H29-F51 AromaticContact CD2-CZ 3.8Å; H29-F156 HydrophobicContact CB-CE1 4.23Å; H29-F156 HydrophobicContact CB-CZ 4.44Å; H29-F156 AromaticContact CD2-CD1 3.86Å; H29-F156 AromaticContact CD2-CE1 3.52Å; H29-F156 AromaticContact CE1-CD1 3.16Å; H29-F156 WeakPolarHBondContact CE1-CD1 3.37Å; H29-F156 AromaticContact CE1-CD2 3.67Å; H29-F156 AromaticContact CE1-CE1 2.96Å; H29-F156 WeakPolarHBondContact CE1-CE1 3.31Å; H29-F156 AromaticContact CE1-CE2 3.48Å; H29-F156 VanDerWaalsContact CE1-CE2 3.48Å; H29-F156 WeakPolarHBondContact CE1-CE2 3.38Å; H29-F156 AromaticContact CE1-CG 3.5Å; H29-F156 AromaticContact CE1-CZ 3.1Å; H29-F156 WeakPolarHBondContact CE1-CZ 3.38Å; H29-F156 PolarHBondContact CE1-O 3.49Å; H29-F156 AromaticContact CG-CE1 3.37Å; H29-F156 AromaticContact CG-CZ 3.67Å; H29-F156 AromaticContact ND1-CD1 3.79Å; H29-F156 AromaticContact ND1-CE1 3.06Å; H29-F156 WeakPolarHBondContact ND1-CE1 3.3Å; H29-F156 AromaticContact ND1-CE2 3.64Å; H29-F156 AromaticContact ND1-CZ 2.94Å; H29-F156 WeakPolarHBondContact ND1-CZ 3.34Å; H29-F156 AromaticContact NE2-CD1 3.23Å; H29-F156 WeakPolarHBondContact NE2-CD1 3.23Å; H29-F156 AromaticContact NE2-CE1 3.29Å; H29-F156 VanDerWaalsContact NE2-CE1 3.29Å; H29-F156 WeakPolarHBondContact NE2-CE1 3.38Å; H29-F156 AromaticContact NE2-CG 3.84Å; H29-F156 AromaticContact NE2-CZ 3.92Å; H29-F156 PolarHBondContact NE2-O 3.41Å; H29-F160 AromaticContact CD2-CE2 3.88Å; H29-F160 AromaticContact CE1-CD2 3.89Å; H29-F160 AromaticContact CE1-CE2 3.31Å; H29-F160 WeakPolarHBondContact CE1-CE2 3.47Å; H29-F160 AromaticContact ND1-CE2 3.68Å; H29-F160 AromaticContact NE2-CD2 3.57Å; H29-F160 AromaticContact NE2-CE2 3.42Å; H29-F160 WeakPolarHBondContact NE2-CE2 3.41Å
30L88.9Confident90.6Very high81 Ų8153.6 Ų53.642%0.42427%0.266SS..Hα-helixtrans-79.1-47.6-175.1-176.165.3000112.8V26 K27 L49V26-L30 PolarHBondContact O-N 3.05Å; K27-L30 PolarHBondContact O-N 3.4Å; L30-L49 HydrophobicContact CB-CD2 3.88Å; L30-L49 HydrophobicContact CD1-CD2 4.06Å
31T86.9Confident90.1Very high78 Ų7854.1 Ų54.148%0.47927%0.269SS..Hα-helixtrans-112.8-11.2-171.868.60000113.1K27 E33K27-T31 PolarHBondContact O-N 3.46Å; K27-T31 PolarHBondContact O-OG1 2.97Å; K27-T31 VanDerWaalsContact O-OG1 3.13Å; T31-E33 PolarHBondContact O-N 2.82Å; T31-E33 WeakPolarHBondContact OG1-CB 3.4Å; T31-E33 PolarHBondContact OG1-N 3.01Å
32G86.1Confident89.6Confident2 Ų259.6 Ų59.62%0.02130%0.295CS..SBendtrans75.2-9.1-170.100000114R28 A180 A182R28-G32 VanDerWaalsContact CD-O 3.24Å; R28-G32 WeakPolarHBondContact CD-O 3.38Å; R28-G32 PolarHBondContact NE-O 3.4Å; R28-G32 PolarHBondContact NH1-O 3Å; R28-G32 WeakPolarHBondContact O-CA 3.25Å; R28-G32 PolarHBondContact O-N 3.46Å; R28-G32 VanDerWaalsContact O-N 3.09Å; G32-A180 WeakPolarHBondContact CA-O 3.4Å; G32-A182 WeakPolarHBondContact O-CA 3.45Å; G32-A182 WeakPolarHBondContact O-CB 3.37Å; G32-A182 PolarHBondContact O-N 3.5Å
33E84.8Confident89.1Confident135 Ų13559.8 Ų59.863%0.63130%0.299SS*.  trans-87.5148.4-175.4-62.3-177.9170.400112.9R28 T31R28-E33 WeakPolarHBondContact CA-O 3.49Å; R28-E33 VanDerWaalsContact CD-C 3.44Å; R28-E33 WeakPolarHBondContact CD-O 3.44Å; T31-E33 PolarHBondContact O-N 2.82Å; T31-E33 WeakPolarHBondContact OG1-CB 3.4Å; T31-E33 PolarHBondContact OG1-N 3.01Å
34F84.6Confident88.9Confident43 Ų4360.6 Ų60.619%0.18930%0.304CS..  trans-96.6113.3175-178.7-98000110T24 K36 A150 K151 E185T24-F34 HydrophobicContact CG2-CD2 3.57Å; T24-F34 HydrophobicContact CG2-CE2 3.4Å; T24-F34 HydrophobicContact CG2-CG 4.43Å; T24-F34 HydrophobicContact CG2-CZ 4.13Å; F34-K36 HydrophobicContact CD1-CG 3.76Å; F34-K36 HydrophobicContact CE1-CG 4Å; F34-K36 PolarHBondContact O-N 2.87Å; F34-A150 WeakPolarHBondContact CD2-O 3.41Å; F34-K151 HydrophobicContact CD2-CB 4.29Å; F34-K151 HydrophobicContact CD2-CG 4.38Å; F34-K151 HydrophobicContact CE1-CG 4.19Å; F34-K151 VanDerWaalsContact CE2-CA 3.43Å; F34-K151 HydrophobicContact CE2-CB 3.63Å; F34-K151 HydrophobicContact CE2-CG 3.88Å; F34-K151 HydrophobicContact CZ-CB 3.91Å; F34-K151 HydrophobicContact CZ-CD 4.26Å; F34-K151 HydrophobicContact CZ-CG 3.77Å; F34-E185 HydrophobicContact CB-CG 3.67Å; F34-E185 HydrophobicContact CD1-CG 3.75Å; F34-E185 HydrophobicContact CG-CG 3.83Å
35E84.5Confident88.8Confident74 Ų7463 Ų6335%0.34631%0.313SS..  trans-73.6108.2175.4-178.661.3-103.900110.5T24 K27 K37T24-E35 HydrophobicContact CG2-CB 4.46Å; K27-E35 IonicContact NZ-OE2 3.27Å; E35-K37 WeakPolarHBondContact CG-O 3.48Å; E35-K37 PolarHBondContact OE1-N 2.86Å
36K85.7Confident88.7Confident148 Ų14866.2 Ų66.264%0.64333%0.333SS*.  trans-79.3-30.3179.9-66.3-179.3-178.2-178.80112.4F34 E185F34-K36 HydrophobicContact CD1-CG 3.76Å; F34-K36 HydrophobicContact CE1-CG 4Å; F34-K36 PolarHBondContact O-N 2.87Å; K36-E185 WeakPolarHBondContact CE-OE1 3.38Å; K36-E185 WeakPolarHBondContact CE-OE2 3.48Å; K36-E185 IonicContact NZ-OE1 3.49Å; K36-E185 PolarHBondContact NZ-OE1 3.31Å; K36-E185 IonicContact NZ-OE2 3.86Å; K36-E185 PolarHBondContact NZ-OE2 3.29Å
37K88.5Confident88.8Confident150 Ų15067.3 Ų67.365%0.65234%0.338SS*.SBendtrans-91.5123.9-174.9-173.6178178-1790109.8E35 V39E35-K37 WeakPolarHBondContact CG-O 3.48Å; E35-K37 PolarHBondContact OE1-N 2.86Å; K37-V39 HydrophobicContact CD-CG2 4.37Å; K37-V39 HydrophobicContact CG-CG2 4.28Å; K37-V39 PolarHBondContact O-N 2.63Å
38Y87.8Confident88.9Confident133 Ų13367.6 Ų67.652%0.52235%0.346SS..  trans-73.3115.5170.3179.1-111.6000110.3G19 A40 Q68G19-Y38 PolarHBondContact N-OH 3.25Å; Y38-A40 HydrophobicContact CE1-CB 4.14Å; Y38-Q68 PolarHBondContact OH-NE2 3.25Å
39V88.9Confident89.1Confident98 Ų9867.8 Ų67.859%0.59435%0.348SS*.  trans-119.6120.3165.3-177.70000106.4K37 T41K37-V39 HydrophobicContact CD-CG2 4.37Å; K37-V39 HydrophobicContact CG-CG2 4.28Å; K37-V39 PolarHBondContact O-N 2.63Å; V39-T41 PolarHBondContact O-N 2.94Å
40A89.4Confident89.2Confident32 Ų3269.8 Ų69.826%0.26436%0.36SS..  trans-67.5126.7-17900000110.3Y38 L42 Q68Y38-A40 HydrophobicContact CE1-CB 4.14Å; A40-L42 PolarHBondContact O-N 2.77Å; A40-Q68 HydrophobicContact CB-CG 4.45Å
41T84.9Confident89.5Confident12 Ų1266.2 Ų66.27%0.07434%0.342CS..  trans-56.6135.2172-40.60000110.2T23 V39 E45 D64 A66T23-T41 PolarHBondContact OG1-OG1 3.17Å; V39-T41 PolarHBondContact O-N 2.94Å; T41-E45 HydrophobicContact CG2-CG 4.11Å; T41-D64 PolarHBondContact OG1-OD2 3Å; T41-A66 WeakPolarHBondContact O-CB 3.31Å
42L86.1Confident90Very high128 Ų12866.3 Ų66.367%0.6734%0.337SS*.  trans-101.4112174.6-60.1179.5000108.5A40 V44 F71A40-L42 PolarHBondContact O-N 2.77Å; L42-V44 PolarHBondContact O-N 2.65Å; L42-V44 VanDerWaalsContact O-N 3.11Å; L42-F71 HydrophobicContact CD2-CE1 4.39Å; L42-F71 HydrophobicContact CD2-CE2 3.96Å; L42-F71 HydrophobicContact CD2-CZ 3.51Å
43G86.7Confident90.4Very high12 Ų1266.7 Ų66.712%0.12434%0.338CS..SBendtrans69.5-104-17700000112.6A66 Y78G43-A66 WeakPolarHBondContact O-CB 3.45Å; G43-A66 PolarHBondContact O-N 3.32Å; G43-Y78 VanDerWaalsContact CA-OH 3.28Å; G43-Y78 WeakPolarHBondContact CA-OH 3.42Å
44V91Very high91Very high38 Ų3862.9 Ų62.923%0.2332%0.322CS..EExtended strand (participates in β ladder)trans-143.8141.7-179.367.80000111.3L42 V46 W63 D64 T65 Y78L42-V44 PolarHBondContact O-N 2.65Å; L42-V44 VanDerWaalsContact O-N 3.11Å; V44-V46 HydrophobicContact CG2-CG2 4.44Å; V44-W63 HydrophobicContact CG1-CE3 4.42Å; V44-W63 HydrophobicContact CG2-CB 3.88Å; V44-W63 HydrophobicContact CG2-CD2 4.3Å; V44-W63 HydrophobicContact CG2-CE3 3.88Å; V44-W63 HydrophobicContact CG2-CG 4.37Å; V44-D64 VanDerWaalsContact CA-O 3.32Å; V44-D64 WeakPolarHBondContact CA-O 3.28Å; V44-D64 WeakPolarHBondContact CG2-O 3.29Å; V44-T65 HydrophobicContact CG2-CG2 4.32Å; V44-Y78 HydrophobicContact CB-CD1 3.84Å; V44-Y78 HydrophobicContact CB-CD2 4.41Å; V44-Y78 HydrophobicContact CB-CE1 3.78Å; V44-Y78 HydrophobicContact CB-CE2 4.34Å; V44-Y78 HydrophobicContact CB-CG 4.17Å; V44-Y78 HydrophobicContact CG1-CD1 3.55Å; V44-Y78 HydrophobicContact CG1-CE1 3.28Å; V44-Y78 HydrophobicContact CG1-CG 4.37Å; V44-Y78 HydrophobicContact CG2-CD1 4.47Å
45E93.1Very high91.6Very high77 Ų7767.7 Ų67.736%0.3634%0.339SS..EExtended strand (participates in β ladder)trans-115.4136.7163.5-66.7-177.9-170.500109.5T41 H47 D64T41-E45 HydrophobicContact CG2-CG 4.11Å; E45-H47 WeakPolarHBondContact CB-NE2 3.48Å; E45-H47 IonicContact OE2-CE1 2.63Å; E45-H47 IonicContact OE2-NE2 3.23Å; E45-H47 PolarHBondContact OE2-NE2 3.25Å; E45-D64 PolarHBondContact N-O 2.73Å; E45-D64 PolarHBondContact O-N 2.83Å
46V95.2Very high92.1Very high68 Ų6866 Ų6641%0.41234%0.342SS..EExtended strand (participates in β ladder)trans-108.3119.5-179.1-174.80000110V44 N61 V62 W63V44-V46 HydrophobicContact CG2-CG2 4.44Å; V46-N61 HydrophobicContact CG1-CB 4.28Å; V46-V62 CarbonylContact C-O 3.58Å; V46-V62 WeakPolarHBondContact CA-O 3.39Å; V46-W63 HydrophobicContact CG2-CD2 3.86Å; V46-W63 HydrophobicContact CG2-CE3 4.42Å; V46-W63 HydrophobicContact CG2-CG 4.04Å; V46-W63 HydrophobicContact CG2-CZ2 4.28Å
47H95.6Very high92.6Very high24 Ų2462.8 Ų62.811%0.11133%0.329CS..EExtended strand (participates in β ladder)trans-119.7116.2-175.9-64.6-81000110.3V26 E45 L49 V62V26-H47 HydrophobicContact CG1-CB 3.48Å; V26-H47 VanDerWaalsContact CG1-CB 3.48Å; E45-H47 WeakPolarHBondContact CB-NE2 3.48Å; E45-H47 IonicContact OE2-CE1 2.63Å; E45-H47 IonicContact OE2-NE2 3.23Å; E45-H47 PolarHBondContact OE2-NE2 3.25Å; H47-L49 PolarHBondContact O-N 3.22Å; H47-V62 PolarHBondContact N-O 3.35Å; H47-V62 PolarHBondContact O-N 3.36Å
48P95.3Very high93Very high69 Ų6955.8 Ų55.845%0.44830%0.299SS..EExtended strand (participates in β ladder)trans-76.5115173.830.2-31.8000110.1R59P48-R59 HydrophobicContact CB-CG 4.38Å
49L95.4Very high93.4Very high6 Ų651.3 Ų51.33%0.03128%0.281CS..EExtended strand (participates in β ladder)trans-107.4119.4173.7-58.4-174.7000109.7H29 L30 H47 F51 R59 F60 V62 F160H29-L49 HydrophobicContact CB-CD1 3.65Å; H29-L49 HydrophobicContact CB-CD2 3.96Å; H29-L49 HydrophobicContact CB-CG 4.43Å; L30-L49 HydrophobicContact CB-CD2 3.88Å; L30-L49 HydrophobicContact CD1-CD2 4.06Å; H47-L49 PolarHBondContact O-N 3.22Å; L49-F51 HydrophobicContact CB-CE2 3.78Å; L49-F51 HydrophobicContact CB-CZ 4.45Å; L49-R59 CarbonylContact O-C 3.59Å; L49-R59 VanDerWaalsContact O-CA 3.3Å; L49-R59 WeakPolarHBondContact O-CA 3.35Å; L49-F60 PolarHBondContact N-O 3.05Å; L49-F60 PolarHBondContact O-N 3.38Å; L49-V62 HydrophobicContact CD1-CG2 3.69Å; L49-V62 HydrophobicContact CG-CG2 4Å; L49-F160 HydrophobicContact CD1-CE1 3.96Å; L49-F160 HydrophobicContact CD1-CZ 3.67Å
50V94.6Very high93.9Very high57 Ų5746.7 Ų46.735%0.34525%0.253SS..EExtended strand (participates in β ladder)trans-101.7127.4178.5179.10000109.9Q57 I58 R59V50-Q57 HydrophobicContact CG1-CB 4.13Å; V50-Q57 HydrophobicContact CG1-CG 4.1Å; V50-I58 CarbonylContact C-O 3.5Å; V50-I58 WeakPolarHBondContact CA-O 3.03Å; V50-R59 HydrophobicContact CG2-CB 4.29Å; V50-R59 HydrophobicContact CG2-CG 4.19Å
51F95.5Very high94.3Very high7 Ų747.5 Ų47.53%0.03125%0.253CS..EExtended strand (participates in β ladder)trans-113.7139.4175.6-65-96.1000109.8H29 L49 Q57 I58 F60 F160 F175 P179H29-F51 AromaticContact CD2-CZ 3.8Å; L49-F51 HydrophobicContact CB-CE2 3.78Å; L49-F51 HydrophobicContact CB-CZ 4.45Å; F51-Q57 WeakPolarHBondContact O-CA 3.25Å; F51-I58 HydrophobicContact CB-CD1 4.45Å; F51-I58 HydrophobicContact CB-CG1 3.93Å; F51-I58 PolarHBondContact N-O 3.49Å; F51-I58 PolarHBondContact O-N 3.15Å; F51-F60 AromaticContact CD2-CD2 3.79Å; F51-F60 HydrophobicContact CD2-CD2 3.79Å; F51-F60 HydrophobicContact CD2-CE2 4.23Å; F51-F60 AromaticContact CE2-CD2 3.77Å; F51-F60 HydrophobicContact CE2-CD2 3.77Å; F51-F60 HydrophobicContact CE2-CE2 4.4Å; F51-F160 HydrophobicContact CE1-CB 3.97Å; F51-F160 HydrophobicContact CE1-CD2 4.19Å; F51-F160 HydrophobicContact CE1-CG 4.05Å; F51-F160 HydrophobicContact CE2-CB 4.11Å; F51-F160 AromaticContact CE2-CD1 3.61Å; F51-F160 HydrophobicContact CE2-CD1 3.61Å; F51-F160 HydrophobicContact CE2-CD2 4.42Å; F51-F160 HydrophobicContact CE2-CE1 4.06Å; F51-F160 AromaticContact CE2-CG 3.8Å; F51-F160 HydrophobicContact CE2-CG 3.8Å; F51-F160 HydrophobicContact CZ-CB 3.71Å; F51-F160 AromaticContact CZ-CD1 3.64Å; F51-F160 HydrophobicContact CZ-CD1 3.64Å; F51-F160 AromaticContact CZ-CD2 3.59Å; F51-F160 HydrophobicContact CZ-CD2 3.59Å; F51-F160 HydrophobicContact CZ-CE1 4.08Å; F51-F160 HydrophobicContact CZ-CE2 4.06Å; F51-F160 AromaticContact CZ-CG 3.35Å; F51-F160 HydrophobicContact CZ-CG 3.35Å; F51-F160 HydrophobicContact CZ-CZ 4.28Å; F51-F175 HydrophobicContact CB-CD1 4.08Å; F51-F175 HydrophobicContact CB-CE1 3.63Å; F51-F175 HydrophobicContact CB-CZ 4Å; F51-F175 HydrophobicContact CD1-CD1 4.45Å; F51-F175 HydrophobicContact CD1-CD2 4.1Å; F51-F175 AromaticContact CD1-CE1 3.98Å; F51-F175 HydrophobicContact CD1-CE1 3.98Å; F51-F175 AromaticContact CD1-CE2 3.56Å; F51-F175 HydrophobicContact CD1-CE2 3.56Å; F51-F175 AromaticContact CD1-CZ 3.49Å; F51-F175 HydrophobicContact CD1-CZ 3.49Å; F51-F175 VanDerWaalsContact CD1-CZ 3.49Å; F51-F175 AromaticContact CE1-CE2 3.96Å; F51-F175 HydrophobicContact CE1-CE2 3.96Å; F51-F175 HydrophobicContact CE1-CZ 4.12Å; F51-F175 AromaticContact CG-CE1 3.99Å; F51-F175 HydrophobicContact CG-CE1 3.99Å; F51-F175 HydrophobicContact CG-CE2 4.34Å; F51-F175 AromaticContact CG-CZ 3.81Å; F51-F175 HydrophobicContact CG-CZ 3.81Å; F51-P179 HydrophobicContact CE1-CG 4.26Å
52H95.4Very high94.9Very high80 Ų8047 Ų4737%0.3725%0.25SC..EExtended strand (participates in β ladder)trans-96.1119.4177-65.479.1000108.9Q57 F175 V176 A177H52-Q57 PolarHBondContact NE2-NE2 3.38Å; H52-F175 CarbonylContact O-C 3.56Å; H52-F175 VanDerWaalsContact O-CA 3.3Å; H52-F175 WeakPolarHBondContact O-CA 3.48Å; H52-V176 HydrophobicContact CB-CG2 3.92Å; H52-V176 PolarHBondContact O-N 2.97Å; H52-A177 HydrophobicContact CB-CB 4.19Å
53T96.6Very high95.4Very high9 Ų944 Ų446%0.05523%0.23CC..EExtended strand (participates in β ladder)trans-113.5167-178.480.60000111.4R55 G56 I58 L173 E174 F175T53-R55 PolarHBondContact O-N 3.42Å; T53-R55 WeakPolarHBondContact OG1-CA 3.47Å; T53-R55 PolarHBondContact OG1-N 2.75Å; T53-G56 WeakPolarHBondContact CA-O 3.4Å; T53-G56 WeakPolarHBondContact CB-O 3.29Å; T53-G56 PolarHBondContact N-O 3.19Å; T53-G56 PolarHBondContact O-N 3.43Å; T53-G56 VanDerWaalsContact O-N 3.09Å; T53-G56 PolarHBondContact OG1-N 3.21Å; T53-G56 PolarHBondContact OG1-O 3.04Å; T53-I58 HydrophobicContact CG2-CD1 4Å; T53-I58 HydrophobicContact CG2-CG1 3.95Å; T53-I58 HydrophobicContact CG2-CG2 4.34Å; T53-L173 HydrophobicContact CG2-CD1 4.18Å; T53-L173 HydrophobicContact CG2-CD2 3.89Å; T53-L173 HydrophobicContact CG2-CG 4.19Å; T53-E174 CarbonylContact C-O 3.6Å; T53-E174 WeakPolarHBondContact CA-O 3.39Å; T53-E174 WeakPolarHBondContact CB-O 3.42Å; T53-F175 HydrophobicContact CG2-CD1 3.99Å; T53-F175 HydrophobicContact CG2-CE1 4.11Å
54N96.9Very high95.8Very high55 Ų5543.4 Ų43.429%0.29422%0.224SC..THydrogen-bonded Turntrans-66.65167.365.3-16.1000114.1N172 L173 E174 V176N54-N172 PolarHBondContact ND2-O 3.14Å; N54-L173 WeakPolarHBondContact OD1-CA 3.48Å; N54-E174 PolarHBondContact N-O 3.24Å; N54-E174 PolarHBondContact OD1-N 2.96Å; N54-V176 HydrophobicContact CB-CG1 3.89Å
55R96.1Very high95.9Very high144 Ų14441.6 Ų41.654%0.54321%0.213SC..THydrogen-bonded Turntrans-121.511.6172.6-56.7-63179.2-97.4-10.4113T53 D170 L173T53-R55 PolarHBondContact O-N 3.42Å; T53-R55 WeakPolarHBondContact OG1-CA 3.47Å; T53-R55 PolarHBondContact OG1-N 2.75Å; R55-D170 IonicContact CZ-OD2 3.02Å; R55-D170 VanDerWaalsContact CZ-OD2 3.26Å; R55-D170 IonicContact NE-OD2 2.73Å; R55-D170 PolarHBondContact NE-OD2 3.36Å; R55-D170 IonicContact NH2-OD1 3.46Å; R55-D170 IonicContact NH2-OD2 3.53Å; R55-D170 PolarHBondContact NH2-OD2 3.17Å; R55-L173 HydrophobicContact CB-CD1 4.39Å; R55-L173 HydrophobicContact CG-CD1 4.14Å
56G95.6Very high95.7Very high40 Ų4038.2 Ų38.241%0.41220%0.198SC..EExtended strand (participates in β ladder)trans101.4-169.6-174.500000112.9T53T53-G56 WeakPolarHBondContact CA-O 3.4Å; T53-G56 WeakPolarHBondContact CB-O 3.29Å; T53-G56 PolarHBondContact N-O 3.19Å; T53-G56 PolarHBondContact O-N 3.43Å; T53-G56 VanDerWaalsContact O-N 3.09Å; T53-G56 PolarHBondContact OG1-N 3.21Å; T53-G56 PolarHBondContact OG1-O 3.04Å
57Q96Very high95Very high80 Ų8035.4 Ų35.437%0.37418%0.183SC..EExtended strand (participates in β ladder)trans-77.3145.1-179.2-72.2176.2-13.200111.5I7 V50 F51 H52I7-Q57 HydrophobicContact CD1-CB 4.42Å; I7-Q57 HydrophobicContact CG1-CB 4.42Å; I7-Q57 HydrophobicContact CG2-CB 4.07Å; V50-Q57 HydrophobicContact CG1-CB 4.13Å; V50-Q57 HydrophobicContact CG1-CG 4.1Å; F51-Q57 WeakPolarHBondContact O-CA 3.25Å; H52-Q57 PolarHBondContact NE2-NE2 3.38Å
58I96.9Very high94.2Very high3 Ų337.2 Ų37.22%0.01519%0.192CC..EExtended strand (participates in β ladder)trans-127.1154.8163.762.3175000109.7V50 F51 T53 F60 A164 L168 F175V50-I58 CarbonylContact C-O 3.5Å; V50-I58 WeakPolarHBondContact CA-O 3.03Å; F51-I58 HydrophobicContact CB-CD1 4.45Å; F51-I58 HydrophobicContact CB-CG1 3.93Å; F51-I58 PolarHBondContact N-O 3.49Å; F51-I58 PolarHBondContact O-N 3.15Å; T53-I58 HydrophobicContact CG2-CD1 4Å; T53-I58 HydrophobicContact CG2-CG1 3.95Å; T53-I58 HydrophobicContact CG2-CG2 4.34Å; I58-F60 HydrophobicContact CD1-CE2 3.83Å; I58-F60 HydrophobicContact CD1-CZ 4.31Å; I58-A164 HydrophobicContact CD1-CB 3.34Å; I58-L168 HydrophobicContact CG2-CD1 3.88Å; I58-F175 HydrophobicContact CD1-CE1 4.39Å
59R97.2Very high93Very high39 Ų3939.6 Ų39.615%0.14720%0.197CC..EExtended strand (participates in β ladder)trans-124.2131.9176.7-177.3-176.1-66.5130-6.9111D5 I7 P8 T9 F10 P48 L49 V50 N61D5-R59 IonicContact OD1-NH1 2.66Å; D5-R59 PolarHBondContact OD1-NH1 2.81Å; D5-R59 IonicContact OD2-CZ 3.26Å; D5-R59 VanDerWaalsContact OD2-CZ 3.23Å; D5-R59 IonicContact OD2-NH1 2.81Å; D5-R59 PolarHBondContact OD2-NH1 3.37Å; D5-R59 IonicContact OD2-NH2 2.9Å; D5-R59 PolarHBondContact OD2-NH2 2.84Å; I7-R59 HydrophobicContact CG2-CB 4.01Å; P8-R59 PolarHBondContact O-N 3.11Å; T9-R59 CarbonylContact C-O 3.56Å; T9-R59 VanDerWaalsContact CA-O 3.31Å; T9-R59 WeakPolarHBondContact CA-O 3.33Å; T9-R59 HydrophobicContact CG2-CB 4.2Å; T9-R59 HydrophobicContact CG2-CG 4.11Å; T9-R59 PolarHBondContact OG1-NH1 2.96Å; F10-R59 PolarHBondContact N-O 3Å; P48-R59 HydrophobicContact CB-CG 4.38Å; L49-R59 CarbonylContact O-C 3.59Å; L49-R59 VanDerWaalsContact O-CA 3.3Å; L49-R59 WeakPolarHBondContact O-CA 3.35Å; V50-R59 HydrophobicContact CG2-CB 4.29Å; V50-R59 HydrophobicContact CG2-CG 4.19Å; R59-N61 WeakPolarHBondContact CD-OD1 3.16Å
60F98.1Very high91.7Very high0 Ų047.1 Ų47.10%023%0.229CC..EExtended strand (participates in β ladder)trans-101.4117.5161.2-67.9-78.5000108.8F10 L12 L49 F51 I58 V62 F160 L163 A164 L167F10-F60 HydrophobicContact CB-CD1 3.97Å; F10-F60 HydrophobicContact CB-CE1 4.14Å; F10-F60 HydrophobicContact CD2-CE1 4.48Å; F10-F60 CarbonylContact O-C 3.57Å; F10-F60 WeakPolarHBondContact O-CA 3.48Å; L12-F60 HydrophobicContact CB-CB 4.27Å; L12-F60 HydrophobicContact CB-CD1 4Å; L12-F60 HydrophobicContact CD1-CB 4.41Å; L12-F60 HydrophobicContact CD1-CD1 3.82Å; L12-F60 HydrophobicContact CD1-CE1 4.28Å; L12-F60 HydrophobicContact CD1-CG 4.16Å; L49-F60 PolarHBondContact N-O 3.05Å; L49-F60 PolarHBondContact O-N 3.38Å; F51-F60 AromaticContact CD2-CD2 3.79Å; F51-F60 HydrophobicContact CD2-CD2 3.79Å; F51-F60 HydrophobicContact CD2-CE2 4.23Å; F51-F60 AromaticContact CE2-CD2 3.77Å; F51-F60 HydrophobicContact CE2-CD2 3.77Å; F51-F60 HydrophobicContact CE2-CE2 4.4Å; I58-F60 HydrophobicContact CD1-CE2 3.83Å; I58-F60 HydrophobicContact CD1-CZ 4.31Å; F60-V62 HydrophobicContact CB-CG2 4.01Å; F60-V62 PolarHBondContact O-N 3.35Å; F60-F160 HydrophobicContact CB-CE1 4.38Å; F60-F160 AromaticContact CD2-CD1 3.62Å; F60-F160 HydrophobicContact CD2-CD1 3.62Å; F60-F160 HydrophobicContact CD2-CE1 4.28Å; F60-F160 HydrophobicContact CE2-CB 4.23Å; F60-F160 AromaticContact CE2-CD1 3.93Å; F60-F160 HydrophobicContact CE2-CD1 3.93Å; F60-F160 HydrophobicContact CG-CD1 4.09Å; F60-F160 HydrophobicContact CG-CE1 4.39Å; F60-L163 HydrophobicContact CE1-CB 4.22Å; F60-L163 HydrophobicContact CZ-CB 4.05Å; F60-A164 HydrophobicContact CE2-CB 4.44Å; F60-A164 HydrophobicContact CZ-CB 4.18Å; F60-L167 HydrophobicContact CE1-CD1 3.6Å; F60-L167 HydrophobicContact CZ-CD1 4.18Å
61N97.7Very high90.2Very high50 Ų5047 Ų4727%0.26722%0.224SC..EExtended strand (participates in β ladder)trans-80.198162.4-75-13.8000106.4T9 F10 L12 V46 R59 W63T9-N61 WeakPolarHBondContact CG2-ND2 3.4Å; F10-N61 PolarHBondContact O-N 3.33Å; L12-N61 PolarHBondContact N-O 3.31Å; V46-N61 HydrophobicContact CG1-CB 4.28Å; R59-N61 WeakPolarHBondContact CD-OD1 3.16Å; N61-W63 PolarHBondContact O-N 2.83Å
62V97.9Very high88.6Confident1 Ų147.8 Ų47.81%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-83.1116.2-177.6-177.60000109.5L12 L14 V26 V46 H47 L49 F60 D64 F160L12-V62 HydrophobicContact CB-CG2 4.28Å; L12-V62 HydrophobicContact CD2-CG1 3.88Å; L12-V62 HydrophobicContact CD2-CG2 4.24Å; L12-V62 CarbonylContact O-C 3.57Å; L12-V62 WeakPolarHBondContact O-CA 3.36Å; L14-V62 HydrophobicContact CB-CG1 3.98Å; L14-V62 HydrophobicContact CD2-CG1 4.24Å; V26-V62 HydrophobicContact CG1-CB 4.46Å; V26-V62 HydrophobicContact CG1-CG1 4.39Å; V26-V62 HydrophobicContact CG2-CB 4.47Å; V26-V62 HydrophobicContact CG2-CG1 3.61Å; V46-V62 CarbonylContact C-O 3.58Å; V46-V62 WeakPolarHBondContact CA-O 3.39Å; H47-V62 PolarHBondContact N-O 3.35Å; H47-V62 PolarHBondContact O-N 3.36Å; L49-V62 HydrophobicContact CD1-CG2 3.69Å; L49-V62 HydrophobicContact CG-CG2 4Å; F60-V62 HydrophobicContact CB-CG2 4.01Å; F60-V62 PolarHBondContact O-N 3.35Å; V62-D64 PolarHBondContact O-N 3.23Å; V62-F160 HydrophobicContact CG2-CE1 4.06Å; V62-F160 HydrophobicContact CG2-CZ 4.44Å
63W96.6Very high87Confident64 Ų6448 Ų4824%0.24226%0.259CS..EExtended strand (participates in β ladder)trans-88.792.3172.2-71.551.5000107.4K11 L12 L14 V44 V46 N61 T65 Y78K11-W63 HydrophobicContact CD-CD2 4.38Å; K11-W63 HydrophobicContact CD-CZ2 4.29Å; K11-W63 HydrophobicContact CG-CG 4.41Å; L12-W63 PolarHBondContact O-N 2.81Å; L14-W63 PolarHBondContact N-O 2.84Å; V44-W63 HydrophobicContact CG1-CE3 4.42Å; V44-W63 HydrophobicContact CG2-CB 3.88Å; V44-W63 HydrophobicContact CG2-CD2 4.3Å; V44-W63 HydrophobicContact CG2-CE3 3.88Å; V44-W63 HydrophobicContact CG2-CG 4.37Å; V46-W63 HydrophobicContact CG2-CD2 3.86Å; V46-W63 HydrophobicContact CG2-CE3 4.42Å; V46-W63 HydrophobicContact CG2-CG 4.04Å; V46-W63 HydrophobicContact CG2-CZ2 4.28Å; N61-W63 PolarHBondContact O-N 2.83Å; W63-T65 PolarHBondContact O-N 2.94Å; W63-Y78 HydrophobicContact CE3-CD1 4.28Å; W63-Y78 HydrophobicContact CZ3-CD1 4.1Å
64D95.3Very high85.6Confident0 Ų052.9 Ų52.90%028%0.284CS..EExtended strand (participates in β ladder)trans-74.6106.7173.8-179.631.4000109.2K22 T23 V26 T41 V44 E45 V62K22-D64 VanDerWaalsContact CB-OD1 3.31Å; K22-D64 WeakPolarHBondContact CB-OD1 3.3Å; T23-D64 VanDerWaalsContact CA-OD2 3.27Å; T23-D64 WeakPolarHBondContact CA-OD2 3.35Å; T23-D64 VanDerWaalsContact CB-OD2 3.25Å; T23-D64 WeakPolarHBondContact CB-OD2 3.23Å; T23-D64 WeakPolarHBondContact CG2-OD2 3.42Å; T23-D64 PolarHBondContact OG1-OD2 3.06Å; V26-D64 HydrophobicContact CG2-CB 4.44Å; T41-D64 PolarHBondContact OG1-OD2 3Å; V44-D64 VanDerWaalsContact CA-O 3.32Å; V44-D64 WeakPolarHBondContact CA-O 3.28Å; V44-D64 WeakPolarHBondContact CG2-O 3.29Å; E45-D64 PolarHBondContact N-O 2.73Å; E45-D64 PolarHBondContact O-N 2.83Å; V62-D64 PolarHBondContact O-N 3.23Å
65T92.4Very high84.6Confident1 Ų151.1 Ų51.11%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-95.2150-174.267.10000112.6L14 V15 K22 V44 W63 G67 Y78L14-T65 PolarHBondContact O-N 3.23Å; L14-T65 PolarHBondContact O-OG1 3.29Å; V15-T65 HydrophobicContact CG1-CG2 4.34Å; V15-T65 WeakPolarHBondContact CG1-OG1 3.37Å; K22-T65 WeakPolarHBondContact CE-O 3.12Å; V44-T65 HydrophobicContact CG2-CG2 4.32Å; W63-T65 PolarHBondContact O-N 2.94Å; T65-G67 PolarHBondContact O-N 3.43Å; T65-Y78 HydrophobicContact CG2-CD2 4.48Å
66A88.9Confident83.8Confident6 Ų647.3 Ų47.35%0.0526%0.263CS..  trans-64123.8172.100000111.5T41 G43 Q68 F71T41-A66 WeakPolarHBondContact O-CB 3.31Å; G43-A66 WeakPolarHBondContact O-CB 3.45Å; G43-A66 PolarHBondContact O-N 3.32Å; A66-Q68 VanDerWaalsContact C-N 3.32Å; A66-Q68 PolarHBondContact O-N 2.95Å; A66-F71 HydrophobicContact CB-CB 4.12Å; A66-F71 HydrophobicContact CB-CD2 3.74Å; A66-F71 HydrophobicContact CB-CG 4.23Å
67G81.4Confident83.5Confident9 Ų947.5 Ų47.59%0.09327%0.265CS..  trans-86.96.7178.100000115.1G16 D17 G18 T65G16-G67 WeakPolarHBondContact O-CA 3.31Å; D17-G67 CarbonylContact C-O 3.6Å; G18-G67 PolarHBondContact N-O 2.99Å; T65-G67 PolarHBondContact O-N 3.43Å
68Q78.9Confident83.2Confident62 Ų6245.7 Ų45.729%0.2926%0.255SS..  trans-90.5137.6-177.3-57-70.7-43.100110Y38 A40 A66 K70 F71 R75Y38-Q68 PolarHBondContact OH-NE2 3.25Å; A40-Q68 HydrophobicContact CB-CG 4.45Å; A66-Q68 VanDerWaalsContact C-N 3.32Å; A66-Q68 PolarHBondContact O-N 2.95Å; Q68-K70 HydrophobicContact CB-CG 3.97Å; Q68-K70 PolarHBondContact O-N 3.31Å; Q68-F71 HydrophobicContact CB-CD2 3.81Å; Q68-F71 HydrophobicContact CB-CE2 4.17Å; Q68-F71 HydrophobicContact CG-CD2 4.43Å; Q68-F71 HydrophobicContact CG-CE2 4.43Å; Q68-F71 PolarHBondContact O-N 3.23Å; Q68-F71 VanDerWaalsContact O-N 3.09Å; Q68-R75 PolarHBondContact O-NH2 2.98Å
69E70.6Confident83.1Confident119 Ų11945.6 Ų45.656%0.55626%0.255SS*.G310 helixtrans-62-31.6-178.7-64-62.9-176.300113.6F71 G72 R75E69-F71 PolarHBondContact O-N 3.45Å; E69-G72 PolarHBondContact O-N 2.9Å; E69-R75 IonicContact OE2-CZ 3.66Å; E69-R75 IonicContact OE2-NH1 3.64Å; E69-R75 PolarHBondContact OE2-NH1 3.34Å; E69-R75 IonicContact OE2-NH2 2.82Å; E69-R75 PolarHBondContact OE2-NH2 3.16Å
70K68.1Low82.9Confident163 Ų16348.1 Ų48.171%0.70927%0.27SS*.G310 helixtrans-58.9-15.3175.764.5-179.5177.7178.10114.5Q68Q68-K70 HydrophobicContact CB-CG 3.97Å; Q68-K70 PolarHBondContact O-N 3.31Å
71F62.1Low82.7Confident54 Ų5455.3 Ų55.324%0.23730%0.304CS..G310 helixtrans-106.710.1175.7-56.2-60.4000113.1L42 A66 Q68 E69 G73 L74L42-F71 HydrophobicContact CD2-CE1 4.39Å; L42-F71 HydrophobicContact CD2-CE2 3.96Å; L42-F71 HydrophobicContact CD2-CZ 3.51Å; A66-F71 HydrophobicContact CB-CB 4.12Å; A66-F71 HydrophobicContact CB-CD2 3.74Å; A66-F71 HydrophobicContact CB-CG 4.23Å; Q68-F71 HydrophobicContact CB-CD2 3.81Å; Q68-F71 HydrophobicContact CB-CE2 4.17Å; Q68-F71 HydrophobicContact CG-CD2 4.43Å; Q68-F71 HydrophobicContact CG-CE2 4.43Å; Q68-F71 PolarHBondContact O-N 3.23Å; Q68-F71 VanDerWaalsContact O-N 3.09Å; E69-F71 PolarHBondContact O-N 3.45Å; F71-G73 VanDerWaalsContact C-N 3.28Å; F71-G73 PolarHBondContact O-N 3.35Å; F71-L74 PolarHBondContact O-N 2.94Å
72G61Low82.7Confident25 Ų2553.4 Ų53.426%0.25830%0.296SS..G310 helixtrans-57.2-34.3-175.700000114.9E69 L74 R75E69-G72 PolarHBondContact O-N 2.9Å; G72-L74 PolarHBondContact O-N 2.83Å; G72-L74 VanDerWaalsContact O-N 3.14Å; G72-R75 WeakPolarHBondContact O-CB 3.18Å; G72-R75 VanDerWaalsContact O-CG 3.3Å; G72-R75 WeakPolarHBondContact O-CG 3.48Å; G72-R75 PolarHBondContact O-N 3.07Å
73G62.2Low82.7Confident85 Ų8557.2 Ų57.288%0.87631%0.313SS*.G310 helixtrans-65-17.8-17400000116.1F71F71-G73 VanDerWaalsContact C-N 3.28Å; F71-G73 PolarHBondContact O-N 3.35Å
74L68Low82.8Confident111 Ų11154.1 Ų54.158%0.58130%0.302SS*.G310 helixtrans-100.2-2.2179.1-66.5173.9000113.6F71 G72 D76 G77 Y78F71-L74 PolarHBondContact O-N 2.94Å; G72-L74 PolarHBondContact O-N 2.83Å; G72-L74 VanDerWaalsContact O-N 3.14Å; L74-D76 PolarHBondContact O-N 2.95Å; L74-G77 PolarHBondContact O-N 2.99Å; L74-Y78 HydrophobicContact CB-CE2 3.91Å
75R74.8Confident82.9Confident18 Ų1854.1 Ų54.17%0.06830%0.302CS..Hα-helixtrans-59.3-44.3-168.8-75.6179-175.5163.711.5113.5Q68 E69 G72 G77 Y78 Y79 W103Q68-R75 PolarHBondContact O-NH2 2.98Å; E69-R75 IonicContact OE2-CZ 3.66Å; E69-R75 IonicContact OE2-NH1 3.64Å; E69-R75 PolarHBondContact OE2-NH1 3.34Å; E69-R75 IonicContact OE2-NH2 2.82Å; E69-R75 PolarHBondContact OE2-NH2 3.16Å; G72-R75 WeakPolarHBondContact O-CB 3.18Å; G72-R75 VanDerWaalsContact O-CG 3.3Å; G72-R75 WeakPolarHBondContact O-CG 3.48Å; G72-R75 PolarHBondContact O-N 3.07Å; R75-G77 VanDerWaalsContact C-N 3.26Å; R75-G77 PolarHBondContact O-N 3.21Å; R75-Y78 WeakPolarHBondContact O-CB 3.42Å; R75-Y78 PolarHBondContact O-N 3.36Å; R75-Y79 HydrophobicContact CB-CE2 3.99Å; R75-Y79 WeakPolarHBondContact O-CD1 3.42Å; R75-Y79 PolarHBondContact O-N 3.48Å; R75-W103 VanDerWaalsContact NE-CH2 3.31Å
76D80.4Confident83.2Confident64 Ų6454.1 Ų54.134%0.34230%0.301SS..Hα-helixtrans-59.4-39.2-176.7-70.5-5.3000112.1L74 Y78 Y79 I80 R109 V110L74-D76 PolarHBondContact O-N 2.95Å; D76-Y78 VanDerWaalsContact C-N 3.27Å; D76-Y78 PolarHBondContact O-N 3.36Å; D76-Y79 PolarHBondContact O-N 3.36Å; D76-I80 PolarHBondContact O-N 3.37Å; D76-R109 IonicContact OD1-CZ 2.65Å; D76-R109 IonicContact OD1-NE 2.69Å; D76-R109 IonicContact OD1-NH2 3.42Å; D76-R109 PolarHBondContact OD1-NH2 3.04Å; D76-R109 IonicContact OD2-CZ 2.94Å; D76-R109 IonicContact OD2-NE 3.22Å; D76-R109 IonicContact OD2-NH2 3.22Å; D76-R109 PolarHBondContact OD2-NH2 3.01Å; D76-V110 HydrophobicContact CB-CG2 4.03Å
77G88.6Confident83.7Confident44 Ų4453.8 Ų53.845%0.45430%0.299SS..Hα-helixtrans-61.9-34.2177.300000113L74 R75 Y79L74-G77 PolarHBondContact O-N 2.99Å; R75-G77 VanDerWaalsContact C-N 3.26Å; R75-G77 PolarHBondContact O-N 3.21Å; G77-Y79 VanDerWaalsContact C-N 3.29Å; G77-Y79 PolarHBondContact O-N 2.96Å
78Y90.9Very high84.5Confident42 Ų4253.4 Ų53.417%0.16530%0.295CS..Hα-helixtrans-71.7-26.2175.7-57.1-41.8000112.5K11 G43 V44 W63 T65 L74 R75 D76K11-Y78 WeakPolarHBondContact CE-O 3.43Å; K11-Y78 PolarHBondContact NZ-O 3.29Å; G43-Y78 VanDerWaalsContact CA-OH 3.28Å; G43-Y78 WeakPolarHBondContact CA-OH 3.42Å; V44-Y78 HydrophobicContact CB-CD1 3.84Å; V44-Y78 HydrophobicContact CB-CD2 4.41Å; V44-Y78 HydrophobicContact CB-CE1 3.78Å; V44-Y78 HydrophobicContact CB-CE2 4.34Å; V44-Y78 HydrophobicContact CB-CG 4.17Å; V44-Y78 HydrophobicContact CG1-CD1 3.55Å; V44-Y78 HydrophobicContact CG1-CE1 3.28Å; V44-Y78 HydrophobicContact CG1-CG 4.37Å; V44-Y78 HydrophobicContact CG2-CD1 4.47Å; W63-Y78 HydrophobicContact CE3-CD1 4.28Å; W63-Y78 HydrophobicContact CZ3-CD1 4.1Å; T65-Y78 HydrophobicContact CG2-CD2 4.48Å; L74-Y78 HydrophobicContact CB-CE2 3.91Å; R75-Y78 WeakPolarHBondContact O-CB 3.42Å; R75-Y78 PolarHBondContact O-N 3.36Å; D76-Y78 VanDerWaalsContact C-N 3.27Å; D76-Y78 PolarHBondContact O-N 3.36Å
79Y93.2Very high85.4Confident0 Ų050.5 Ų50.50%028%0.281CS..Hα-helixtrans-80.8-30.7-177.6-56.4-19.3000112.8V13 V15 R75 D76 G77 Q81 G82 D106 L107 V110 C111V13-Y79 HydrophobicContact CG1-CD1 3.53Å; V13-Y79 HydrophobicContact CG1-CE1 3.76Å; V15-Y79 HydrophobicContact CG1-CE1 3.49Å; V15-Y79 VanDerWaalsContact CG1-CE1 3.49Å; R75-Y79 HydrophobicContact CB-CE2 3.99Å; R75-Y79 WeakPolarHBondContact O-CD1 3.42Å; R75-Y79 PolarHBondContact O-N 3.48Å; D76-Y79 PolarHBondContact O-N 3.36Å; G77-Y79 VanDerWaalsContact C-N 3.29Å; G77-Y79 PolarHBondContact O-N 2.96Å; Y79-Q81 PolarHBondContact O-N 3.03Å; Y79-G82 WeakPolarHBondContact O-CA 3.4Å; Y79-G82 PolarHBondContact O-N 3.11Å; Y79-D106 HydrophobicContact CE2-CB 4.11Å; Y79-L107 HydrophobicContact CD1-CD1 4.21Å; Y79-L107 HydrophobicContact CG-CD1 4.14Å; Y79-V110 HydrophobicContact CD2-CB 4.38Å; Y79-V110 HydrophobicContact CD2-CG2 4.08Å; Y79-C111 PolarHBondContact O-SG 3.38Å
80I93.2Very high86.7Confident93 Ų9345.2 Ų45.248%0.47726%0.257SS..THydrogen-bonded Turntrans-43.7128.1-177.7-67.9170.8000111.7K11 D76 G82 V110K11-I80 PolarHBondContact NZ-O 2.88Å; D76-I80 PolarHBondContact O-N 3.37Å; I80-G82 PolarHBondContact O-N 2.77Å; I80-V110 HydrophobicContact CG1-CG1 4.03Å
81Q94.5Very high88.2Confident151 Ų15137.5 Ų37.571%0.70622%0.223SC*.THydrogen-bonded Turntrans61.420.6-177.8-59.8171.3-5.500115Y79 Q83Y79-Q81 PolarHBondContact O-N 3.03Å; Q81-Q83 PolarHBondContact O-N 3.03Å
82G96.8Very high89.9Confident9 Ų937 Ų379%0.09322%0.224CC..  trans-56.4133.216600000110Y79 I80 I114Y79-G82 WeakPolarHBondContact O-CA 3.4Å; Y79-G82 PolarHBondContact O-N 3.11Å; I80-G82 PolarHBondContact O-N 2.77Å; G82-I114 WeakPolarHBondContact O-CG2 3.38Å
83Q98.2Very high91.6Very high81 Ų8137.1 Ų37.138%0.37922%0.223SC..  trans-105.8-22.1179.4-67.2171.4-87.300111.6F10 K11 Q81 P115 L167F10-Q83 VanDerWaalsContact CA-OE1 3.3Å; K11-Q83 PolarHBondContact O-N 3.39Å; Q81-Q83 PolarHBondContact O-N 3.03Å; Q83-P115 WeakPolarHBondContact O-CD 3.4Å; Q83-L167 HydrophobicContact CB-CD2 4.33Å; Q83-L167 WeakPolarHBondContact O-CD2 3.43Å
84C98.6Very high93.3Very high0 Ų041.6 Ų41.60%021%0.214CC..EExtended strand (participates in β ladder)trans-155165.9173.156.90000109.7K11 L12 V13 P115 L163 L167K11-C84 PolarHBondContact O-N 2.86Å; L12-C84 WeakPolarHBondContact CA-O 3.22Å; V13-C84 PolarHBondContact N-O 2.98Å; C84-P115 VanDerWaalsContact CA-O 3.25Å; C84-P115 WeakPolarHBondContact CA-O 3.43Å; C84-P115 HydrophobicContact CB-CG 4.15Å; C84-P115 WeakPolarHBondContact CB-O 3.1Å; C84-L163 HydrophobicContact CB-CD1 4.17Å; C84-L163 HydrophobicContact CB-CD2 3.72Å; C84-L163 HydrophobicContact CB-CG 4.39Å; C84-L167 HydrophobicContact CB-CD1 4.02Å; C84-L167 HydrophobicContact CB-CD2 4.45Å
85A98.5Very high94.7Very high0 Ų040.5 Ų40.50%021%0.212CC..EExtended strand (participates in β ladder)trans-144.5158.5175.700000113.9V13 L107 I114 P115 I116 V117V13-A85 HydrophobicContact CB-CB 4.25Å; V13-A85 CarbonylContact O-C 3.47Å; V13-A85 WeakPolarHBondContact O-CA 3.45Å; V13-A85 VanDerWaalsContact O-CB 3.31Å; V13-A85 WeakPolarHBondContact O-CB 3.5Å; A85-L107 HydrophobicContact CB-CD1 4.23Å; A85-L107 HydrophobicContact CB-CD2 3.36Å; A85-L107 HydrophobicContact CB-CG 4.41Å; A85-I114 HydrophobicContact CB-CD1 4.04Å; A85-P115 PolarHBondContact N-O 2.94Å; A85-I116 HydrophobicContact CB-CG1 4.18Å; A85-I116 HydrophobicContact CB-CG2 4.5Å; A85-I116 WeakPolarHBondContact O-CA 3.48Å; A85-V117 PolarHBondContact O-N 2.81Å
86I98.7Very high95.8Very high0 Ų040.1 Ų40.10%021%0.211CC..EExtended strand (participates in β ladder)trans-120.4126.2164.4-64.7174.3000107.5L12 V13 L14 V15 F25 V117 C119 P159 F160 L163L12-I86 HydrophobicContact CD1-CD1 4.06Å; L12-I86 HydrophobicContact CD1-CG1 4.3Å; L12-I86 HydrophobicContact CD2-CB 4.44Å; L12-I86 HydrophobicContact CD2-CD1 4.19Å; L12-I86 HydrophobicContact CD2-CG1 4.18Å; V13-I86 PolarHBondContact O-N 3.37Å; L14-I86 HydrophobicContact CD1-CB 3.69Å; L14-I86 HydrophobicContact CD1-CG2 3.6Å; V15-I86 PolarHBondContact N-O 3.38Å; F25-I86 HydrophobicContact CE1-CD1 4.07Å; I86-V117 CarbonylContact C-O 3.58Å; I86-V117 VanDerWaalsContact CA-O 3.29Å; I86-V117 WeakPolarHBondContact CA-O 3.1Å; I86-V117 HydrophobicContact CG1-CB 4.38Å; I86-C119 HydrophobicContact CG2-CB 4.21Å; I86-P159 HydrophobicContact CD1-CB 3.81Å; I86-P159 HydrophobicContact CG1-CB 4.43Å; I86-F160 HydrophobicContact CD1-CZ 4.44Å; I86-L163 HydrophobicContact CD1-CD1 4.33Å; I86-L163 HydrophobicContact CG1-CD1 3.96Å
87I98.2Very high96.7Very high0 Ų038.6 Ų38.60%020%0.201CC..EExtended strand (participates in β ladder)trans-101.9119.9168.3-50.3-178000107V15 V100 W103 H104 I116 V117 L118 C119V15-I87 HydrophobicContact CG2-CB 4.29Å; V15-I87 HydrophobicContact CG2-CG1 3.78Å; V15-I87 HydrophobicContact CG2-CG2 4.39Å; V15-I87 WeakPolarHBondContact O-CA 3.33Å; I87-V100 HydrophobicContact CG2-CG1 4.22Å; I87-V100 HydrophobicContact CG2-CG2 4.34Å; I87-W103 HydrophobicContact CG2-CB 4.07Å; I87-H104 HydrophobicContact CD1-CB 3.76Å; I87-I116 HydrophobicContact CD1-CG2 3.98Å; I87-I116 HydrophobicContact CG1-CG2 3.91Å; I87-V117 PolarHBondContact N-O 3.49Å; I87-L118 HydrophobicContact CB-CD1 4.09Å; I87-L118 HydrophobicContact CG2-CD1 4.17Å; I87-L118 CarbonylContact O-C 3.6Å; I87-L118 WeakPolarHBondContact O-CA 2.96Å; I87-C119 PolarHBondContact O-N 2.96Å
88M98.6Very high97.1Very high1 Ų143 Ų431%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-111.4129.5-177-171.9176.9-6500111.5L14 V15 G16 K22 F25 C119 N121 I148L14-M88 HydrophobicContact CD1-CB 4.47Å; L14-M88 HydrophobicContact CD1-CE 4.29Å; V15-M88 PolarHBondContact O-N 3.02Å; G16-M88 WeakPolarHBondContact CA-O 3.41Å; K22-M88 HydrophobicContact CG-CB 4.04Å; K22-M88 HydrophobicContact CG-SD 4.09Å; K22-M88 PolarHBondContact N-SD 3.33Å; F25-M88 HydrophobicContact CB-CE 3.76Å; F25-M88 HydrophobicContact CD1-CE 3.91Å; F25-M88 HydrophobicContact CD2-CE 4.21Å; F25-M88 HydrophobicContact CG-CE 3.71Å; M88-C119 WeakPolarHBondContact CA-O 2.94Å; M88-N121 HydrophobicContact CG-CB 3.97Å; M88-N121 HydrophobicContact SD-CB 3.88Å; M88-I148 HydrophobicContact CE-CD1 3.83Å
89F98.7Very high97.3Very high0 Ų042.5 Ų42.50%021%0.208CC..EExtended strand (participates in β ladder)trans-120.5170.1166.672.9-86.7000110.7V91 Y97 V100 L118 C119 G120 N121 V130 I135 Y145F89-V91 HydrophobicContact CE2-CG1 3.92Å; F89-V91 HydrophobicContact CZ-CG1 4.5Å; F89-Y97 AromaticContact CD1-CD2 3.87Å; F89-Y97 HydrophobicContact CD1-CD2 3.87Å; F89-Y97 AromaticContact CD2-CD2 3.91Å; F89-Y97 HydrophobicContact CD2-CD2 3.91Å; F89-Y97 HydrophobicContact CD2-CG 4.34Å; F89-Y97 AromaticContact CE1-CD2 3.72Å; F89-Y97 HydrophobicContact CE1-CD2 3.72Å; F89-Y97 HydrophobicContact CE1-CE2 4.09Å; F89-Y97 AromaticContact CE2-CD2 3.8Å; F89-Y97 HydrophobicContact CE2-CD2 3.8Å; F89-Y97 HydrophobicContact CE2-CG 4.35Å; F89-Y97 AromaticContact CG-CD2 3.95Å; F89-Y97 HydrophobicContact CG-CD2 3.95Å; F89-Y97 AromaticContact CZ-CD2 3.71Å; F89-Y97 HydrophobicContact CZ-CD2 3.71Å; F89-Y97 HydrophobicContact CZ-CE2 4.19Å; F89-V100 HydrophobicContact CB-CG2 4.01Å; F89-V100 HydrophobicContact CD1-CG2 4.1Å; F89-V100 HydrophobicContact CG-CG2 4.34Å; F89-L118 HydrophobicContact CD1-CD1 3.76Å; F89-L118 HydrophobicContact CD1-CG 4.2Å; F89-L118 HydrophobicContact CE1-CD1 3.99Å; F89-L118 HydrophobicContact CE1-CD2 4.16Å; F89-L118 HydrophobicContact CE1-CG 3.91Å; F89-C119 WeakPolarHBondContact CD1-O 3.06Å; F89-C119 PolarHBondContact N-O 2.76Å; F89-G120 VanDerWaalsContact CZ-CA 3.47Å; F89-N121 PolarHBondContact O-N 3.17Å; F89-V130 HydrophobicContact CE2-CB 4.18Å; F89-V130 HydrophobicContact CE2-CG1 3.88Å; F89-I135 HydrophobicContact CE2-CD1 4.42Å; F89-I135 HydrophobicContact CZ-CD1 3.88Å; F89-I135 HydrophobicContact CZ-CG1 4.12Å; F89-I135 HydrophobicContact CZ-CG2 4.46Å; F89-Y145 AromaticContact CE1-CE2 3.69Å; F89-Y145 HydrophobicContact CE1-CE2 3.69Å; F89-Y145 AromaticContact CZ-CE2 3.82Å; F89-Y145 HydrophobicContact CZ-CE2 3.82Å
90D98.4Very high97.5Very high9 Ų942.6 Ų42.65%0.04821%0.208CC..EExtended strand (participates in β ladder)trans-106.7120178.6180-7.9000109.7T20 T92 A93 T96 K122T20-D90 HydrophobicContact CG2-CB 4.25Å; D90-T92 PolarHBondContact O-N 3.49Å; D90-T92 VanDerWaalsContact O-N 3.1Å; D90-T92 PolarHBondContact OD1-N 2.88Å; D90-T92 PolarHBondContact OD1-OG1 2.97Å; D90-T92 PolarHBondContact OD2-OG1 2.96Å; D90-A93 HydrophobicContact CB-CB 4.17Å; D90-A93 PolarHBondContact O-N 2.95Å; D90-T96 HydrophobicContact CB-CG2 4.3Å; D90-T96 PolarHBondContact N-OG1 3.03Å; D90-T96 PolarHBondContact O-OG1 3.2Å; D90-K122 WeakPolarHBondContact OD1-CD 3.36Å; D90-K122 WeakPolarHBondContact OD2-CD 3.31Å; D90-K122 VanDerWaalsContact OD2-CE 3.25Å; D90-K122 WeakPolarHBondContact OD2-CE 3.46Å; D90-K122 IonicContact OD2-NZ 2.68Å; D90-K122 PolarHBondContact OD2-NZ 2.98Å
91V98.4Very high97.6Very high0 Ų040.4 Ų40.40%020%0.2CC..THydrogen-bonded Turntrans-65-15.3-179.1-55.70000113.1F89 N121 V123 R128 K129 V130F89-V91 HydrophobicContact CE2-CG1 3.92Å; F89-V91 HydrophobicContact CZ-CG1 4.5Å; V91-N121 WeakPolarHBondContact CG2-O 3.37Å; V91-N121 PolarHBondContact N-O 3.24Å; V91-V123 HydrophobicContact CG1-CG1 3.95Å; V91-V123 HydrophobicContact CG2-CG1 4.09Å; V91-R128 HydrophobicContact CB-CG 4.11Å; V91-R128 HydrophobicContact CG2-CG 4.11Å; V91-K129 WeakPolarHBondContact O-CA 3.32Å; V91-K129 PolarHBondContact O-N 3.01Å; V91-V130 PolarHBondContact O-N 3.5Å
92T98Very high97.6Very high43 Ų4336.1 Ų36.126%0.26418%0.182SC..THydrogen-bonded Turntrans-90.1-8.4176.579.10000112.9D90 K122 V125 K129D90-T92 PolarHBondContact O-N 3.49Å; D90-T92 VanDerWaalsContact O-N 3.1Å; D90-T92 PolarHBondContact OD1-N 2.88Å; D90-T92 PolarHBondContact OD1-OG1 2.97Å; D90-T92 PolarHBondContact OD2-OG1 2.96Å; T92-K122 HydrophobicContact CG2-CB 4.45Å; T92-V125 HydrophobicContact CG2-CB 3.62Å; T92-V125 HydrophobicContact CG2-CG1 3.7Å; T92-V125 HydrophobicContact CG2-CG2 4.08Å; T92-K129 WeakPolarHBondContact O-CG 3.38Å
93A97.7Very high97.5Very high28 Ų2835.8 Ų35.823%0.23118%0.178CC..  trans-13096.2-175.200000111.6D90 V95 T96D90-A93 HydrophobicContact CB-CB 4.17Å; D90-A93 PolarHBondContact O-N 2.95Å; A93-V95 PolarHBondContact O-N 2.98Å; A93-V95 VanDerWaalsContact O-N 3.08Å; A93-T96 HydrophobicContact CB-CG2 3.85Å; A93-T96 WeakPolarHBondContact O-CB 3.41Å; A93-T96 PolarHBondContact O-N 2.93Å; A93-T96 PolarHBondContact O-OG1 2.96Å
94R97.6Very high97.4Very high180 Ų18033.2 Ų33.268%0.67917%0.166SC*.Hα-helixtrans-52-36.5-176.4-64.4-174.9-179.3167.83.4114.1T96 Y97 K98 K129 V130R94-T96 PolarHBondContact O-N 3.28Å; R94-Y97 PolarHBondContact O-N 2.81Å; R94-Y97 VanDerWaalsContact O-N 3.16Å; R94-K98 PolarHBondContact O-N 3.27Å; R94-K129 HydrophobicContact CG-CB 3.9Å; R94-K129 PolarHBondContact NE-O 2.73Å; R94-V130 HydrophobicContact CG-CG2 4.23Å
95V97.1Very high97.1Very high88 Ų8839.8 Ų39.853%0.53319%0.19SC..Hα-helixtrans-57.6-37.8178.967.20000112A93 Y97 K98 N99A93-V95 PolarHBondContact O-N 2.98Å; A93-V95 VanDerWaalsContact O-N 3.08Å; V95-Y97 VanDerWaalsContact C-N 3.29Å; V95-Y97 PolarHBondContact O-N 3.4Å; V95-K98 WeakPolarHBondContact O-CB 3.43Å; V95-K98 PolarHBondContact O-N 2.91Å; V95-N99 PolarHBondContact O-N 2.79Å; V95-N99 PolarHBondContact O-ND2 3.45Å
96T97.9Very high96.8Very high9 Ų940.7 Ų40.76%0.05520%0.195CC..Hα-helixtrans-68.4-31.2-178.669.40000112.2D17 T20 D90 A93 R94D17-T96 HydrophobicContact CB-CG2 3.83Å; D17-T96 WeakPolarHBondContact OD2-CA 3.27Å; T20-T96 HydrophobicContact CG2-CG2 3.88Å; D90-T96 HydrophobicContact CB-CG2 4.3Å; D90-T96 PolarHBondContact N-OG1 3.03Å; D90-T96 PolarHBondContact O-OG1 3.2Å; A93-T96 HydrophobicContact CB-CG2 3.85Å; A93-T96 WeakPolarHBondContact O-CB 3.41Å; A93-T96 PolarHBondContact O-N 2.93Å; A93-T96 PolarHBondContact O-OG1 2.96Å; R94-T96 PolarHBondContact O-N 3.28Å
97Y98.3Very high96.6Very high33 Ų3340.7 Ų40.713%0.12920%0.195CC..Hα-helixtrans-74.4-42171.9-175-107.6000111.5F89 R94 V95 N99 V100 L118 V130 T134 I135 T136 F137F89-Y97 AromaticContact CD1-CD2 3.87Å; F89-Y97 HydrophobicContact CD1-CD2 3.87Å; F89-Y97 AromaticContact CD2-CD2 3.91Å; F89-Y97 HydrophobicContact CD2-CD2 3.91Å; F89-Y97 HydrophobicContact CD2-CG 4.34Å; F89-Y97 AromaticContact CE1-CD2 3.72Å; F89-Y97 HydrophobicContact CE1-CD2 3.72Å; F89-Y97 HydrophobicContact CE1-CE2 4.09Å; F89-Y97 AromaticContact CE2-CD2 3.8Å; F89-Y97 HydrophobicContact CE2-CD2 3.8Å; F89-Y97 HydrophobicContact CE2-CG 4.35Å; F89-Y97 AromaticContact CG-CD2 3.95Å; F89-Y97 HydrophobicContact CG-CD2 3.95Å; F89-Y97 AromaticContact CZ-CD2 3.71Å; F89-Y97 HydrophobicContact CZ-CD2 3.71Å; F89-Y97 HydrophobicContact CZ-CE2 4.19Å; R94-Y97 PolarHBondContact O-N 2.81Å; R94-Y97 VanDerWaalsContact O-N 3.16Å; V95-Y97 VanDerWaalsContact C-N 3.29Å; V95-Y97 PolarHBondContact O-N 3.4Å; Y97-N99 PolarHBondContact O-N 3.02Å; Y97-V100 HydrophobicContact CD2-CG2 4.17Å; Y97-V100 VanDerWaalsContact O-CB 3.3Å; Y97-V100 WeakPolarHBondContact O-CB 3.17Å; Y97-V100 WeakPolarHBondContact O-CG2 3.4Å; Y97-V100 PolarHBondContact O-N 2.89Å; Y97-L118 HydrophobicContact CE2-CD2 4.28Å; Y97-V130 HydrophobicContact CD1-CG1 4.07Å; Y97-V130 HydrophobicContact CD2-CG1 4.27Å; Y97-V130 HydrophobicContact CG-CG1 3.84Å; Y97-T134 VanDerWaalsContact CE1-O 3.24Å; Y97-T134 WeakPolarHBondContact CE1-O 3.01Å; Y97-I135 HydrophobicContact CE2-CB 4.32Å; Y97-I135 HydrophobicContact CE2-CG1 4.16Å; Y97-I135 HydrophobicContact CE2-CG2 3.88Å; Y97-I135 VanDerWaalsContact OH-CA 3.28Å; Y97-I135 WeakPolarHBondContact OH-CA 3.5Å; Y97-T136 PolarHBondContact OH-N 2.82Å; Y97-F137 WeakPolarHBondContact OH-CB 3.33Å; Y97-F137 PolarHBondContact OH-N 2.97Å; Y97-F137 VanDerWaalsContact OH-N 3.08Å
98K96.9Very high96.4Very high137 Ų13742.5 Ų42.560%0.59621%0.21SC*.Hα-helixtrans-57.2-30.3175.1-174.2178178.4179.20112.4R94 V95 P101R94-K98 PolarHBondContact O-N 3.27Å; V95-K98 WeakPolarHBondContact O-CB 3.43Å; V95-K98 PolarHBondContact O-N 2.91Å; K98-P101 VanDerWaalsContact O-CD 3.3Å; K98-P101 WeakPolarHBondContact O-CD 3.43Å
99N96.2Very high96.1Very high31 Ų3149.7 Ų49.717%0.16624%0.237CC..THydrogen-bonded Turntrans-85-9178.8-71.2-22.1000114.4D17 V95 Y97 P101 N102 W103D17-N99 WeakPolarHBondContact OD1-CB 3.29Å; D17-N99 PolarHBondContact OD1-ND2 2.79Å; D17-N99 PolarHBondContact OD2-ND2 2.94Å; V95-N99 PolarHBondContact O-N 2.79Å; V95-N99 PolarHBondContact O-ND2 3.45Å; Y97-N99 PolarHBondContact O-N 3.02Å; N99-P101 VanDerWaalsContact C-CD 3.49Å; N99-N102 WeakPolarHBondContact O-CB 3.31Å; N99-N102 PolarHBondContact O-N 3.07Å; N99-W103 VanDerWaalsContact O-CD1 3.24Å; N99-W103 PolarHBondContact O-N 2.96Å
100V97.2Very high95.8Very high1 Ų151.9 Ų51.91%0.00625%0.251CS..Hα-helixtrans-53.7-44.4178.2168.20000112.9I87 F89 Y97 N102 W103 H104 L118 F137I87-V100 HydrophobicContact CG2-CG1 4.22Å; I87-V100 HydrophobicContact CG2-CG2 4.34Å; F89-V100 HydrophobicContact CB-CG2 4.01Å; F89-V100 HydrophobicContact CD1-CG2 4.1Å; F89-V100 HydrophobicContact CG-CG2 4.34Å; Y97-V100 HydrophobicContact CD2-CG2 4.17Å; Y97-V100 VanDerWaalsContact O-CB 3.3Å; Y97-V100 WeakPolarHBondContact O-CB 3.17Å; Y97-V100 WeakPolarHBondContact O-CG2 3.4Å; Y97-V100 PolarHBondContact O-N 2.89Å; V100-N102 VanDerWaalsContact C-N 3.26Å; V100-N102 PolarHBondContact O-N 3.3Å; V100-W103 PolarHBondContact O-N 3.18Å; V100-H104 WeakPolarHBondContact O-CB 3.38Å; V100-H104 PolarHBondContact O-N 3.34Å; V100-L118 HydrophobicContact CB-CD1 4.46Å; V100-L118 HydrophobicContact CG1-CD1 3.64Å; V100-L118 HydrophobicContact CG1-CD2 4.45Å; V100-L118 HydrophobicContact CG2-CD1 3.9Å; V100-F137 HydrophobicContact CG1-CD1 3.5Å; V100-F137 HydrophobicContact CG1-CE1 3.76Å; V100-F137 HydrophobicContact CG1-CG 4.14Å
101P95.9Very high95.6Very high48 Ų4851.9 Ų51.931%0.31225%0.252SS..Hα-helixtrans-56-37.9175.4-25.734.7000113.8K98 N99 H104 R105 F137K98-P101 VanDerWaalsContact O-CD 3.3Å; K98-P101 WeakPolarHBondContact O-CD 3.43Å; N99-P101 VanDerWaalsContact C-CD 3.49Å; P101-H104 PolarHBondContact O-N 2.93Å; P101-R105 VanDerWaalsContact O-CB 3.31Å; P101-R105 WeakPolarHBondContact O-CB 3.48Å; P101-R105 PolarHBondContact O-N 3.37Å; P101-F137 HydrophobicContact CB-CD2 4.35Å; P101-F137 HydrophobicContact CB-CE2 3.72Å; P101-F137 HydrophobicContact CB-CZ 4.24Å; P101-F137 HydrophobicContact CG-CD2 3.81Å; P101-F137 HydrophobicContact CG-CE2 3.7Å; P101-F137 HydrophobicContact CG-CZ 4.44Å
102N94Very high95.2Very high60 Ų6059.3 Ų59.332%0.32129%0.286SS..Hα-helixtrans-65.8-49.6177.7-67.6-40.9000111.2N99 V100 H104 R105 D106N99-N102 WeakPolarHBondContact O-CB 3.31Å; N99-N102 PolarHBondContact O-N 3.07Å; V100-N102 VanDerWaalsContact C-N 3.26Å; V100-N102 PolarHBondContact O-N 3.3Å; N102-H104 VanDerWaalsContact C-N 3.3Å; N102-H104 PolarHBondContact O-N 3.19Å; N102-R105 PolarHBondContact O-N 3.37Å; N102-R105 PolarHBondContact OD1-NH1 3.39Å; N102-R105 PolarHBondContact OD1-NH2 3.24Å; N102-D106 VanDerWaalsContact O-CG 3.23Å; N102-D106 PolarHBondContact O-N 2.95Å
103W95.1Very high94.8Very high3 Ų365 Ų651%0.01132%0.315CS..Hα-helixtrans-59.8-41.3176.6-71.3107.9000112.5V15 G16 D17 R75 I87 N99 V100 L107V15-W103 HydrophobicContact CB-CD2 4.32Å; V15-W103 HydrophobicContact CB-CE3 3.72Å; V15-W103 HydrophobicContact CB-CZ3 4.14Å; V15-W103 HydrophobicContact CG1-CE3 4.1Å; V15-W103 HydrophobicContact CG1-CZ3 4.23Å; V15-W103 HydrophobicContact CG2-CB 4.46Å; G16-W103 VanDerWaalsContact C-CE2 3.42Å; G16-W103 VanDerWaalsContact C-CZ2 3.47Å; G16-W103 WeakPolarHBondContact O-CZ2 3.47Å; D17-W103 PolarHBondContact OD1-NE1 3.39Å; R75-W103 VanDerWaalsContact NE-CH2 3.31Å; I87-W103 HydrophobicContact CG2-CB 4.07Å; N99-W103 VanDerWaalsContact O-CD1 3.24Å; N99-W103 PolarHBondContact O-N 2.96Å; V100-W103 PolarHBondContact O-N 3.18Å; W103-L107 VanDerWaalsContact O-CB 3.28Å; W103-L107 WeakPolarHBondContact O-CB 3.43Å; W103-L107 PolarHBondContact O-N 3.26Å
104H95.3Very high94.8Very high26 Ų2665 Ų6512%0.1231%0.311CS..Hα-helixtrans-64.7-46.3176.5176.1-79.9000111.7I87 V100 P101 N102 D106 L107 A108 F137I87-H104 HydrophobicContact CD1-CB 3.76Å; V100-H104 WeakPolarHBondContact O-CB 3.38Å; V100-H104 PolarHBondContact O-N 3.34Å; P101-H104 PolarHBondContact O-N 2.93Å; N102-H104 VanDerWaalsContact C-N 3.3Å; N102-H104 PolarHBondContact O-N 3.19Å; H104-D106 VanDerWaalsContact C-N 3.35Å; H104-D106 PolarHBondContact O-N 2.96Å; H104-L107 PolarHBondContact O-N 2.88Å; H104-A108 WeakPolarHBondContact O-CB 3.18Å; H104-A108 PolarHBondContact O-N 2.86Å; H104-F137 HydrophobicContact CB-CE1 3.68Å; H104-F137 HydrophobicContact CB-CZ 3.6Å; H104-F137 AromaticContact CD2-CE1 3.92Å; H104-F137 AromaticContact CG-CE1 3.73Å; H104-F137 AromaticContact CG-CZ 3.62Å; H104-F137 AromaticContact ND1-CZ 3.96Å
105R93.2Very high94.8Very high138 Ų13857.8 Ų57.852%0.52129%0.287SS..Hα-helixtrans-57.4-48.7177.9178.6-165.864-134.6-9.4111.1P101 N102 L107 A108 R109P101-R105 VanDerWaalsContact O-CB 3.31Å; P101-R105 WeakPolarHBondContact O-CB 3.48Å; P101-R105 PolarHBondContact O-N 3.37Å; N102-R105 PolarHBondContact O-N 3.37Å; N102-R105 PolarHBondContact OD1-NH1 3.39Å; N102-R105 PolarHBondContact OD1-NH2 3.24Å; R105-L107 PolarHBondContact O-N 3.49Å; R105-A108 PolarHBondContact O-N 2.89Å; R105-R109 WeakPolarHBondContact O-CB 3.43Å; R105-R109 PolarHBondContact O-N 3.32Å
106D92.4Very high94.9Very high20 Ų2054.2 Ų54.211%0.10727%0.265CS..Hα-helixtrans-66.6-39.1-177-61.6-6.8000111.2Y79 N102 H104Y79-D106 HydrophobicContact CE2-CB 4.11Å; N102-D106 VanDerWaalsContact O-CG 3.23Å; N102-D106 PolarHBondContact O-N 2.95Å; H104-D106 VanDerWaalsContact C-N 3.35Å; H104-D106 PolarHBondContact O-N 2.96Å
107L93.6Very high95Very high0 Ų053.8 Ų53.80%026%0.262CS..Hα-helixtrans-64.9-49.6174.2-179.471.4000112V13 Y79 A85 W103 H104 R105 R109 V110 C111 I114 I116V13-L107 HydrophobicContact CB-CD1 4.24Å; V13-L107 HydrophobicContact CG1-CD1 3.98Å; Y79-L107 HydrophobicContact CD1-CD1 4.21Å; Y79-L107 HydrophobicContact CG-CD1 4.14Å; A85-L107 HydrophobicContact CB-CD1 4.23Å; A85-L107 HydrophobicContact CB-CD2 3.36Å; A85-L107 HydrophobicContact CB-CG 4.41Å; W103-L107 VanDerWaalsContact O-CB 3.28Å; W103-L107 WeakPolarHBondContact O-CB 3.43Å; W103-L107 PolarHBondContact O-N 3.26Å; H104-L107 PolarHBondContact O-N 2.88Å; R105-L107 PolarHBondContact O-N 3.49Å; L107-R109 PolarHBondContact O-N 3.09Å; L107-V110 PolarHBondContact O-N 3.05Å; L107-C111 PolarHBondContact O-N 3.38Å; L107-I114 HydrophobicContact CD1-CD1 4.35Å; L107-I114 HydrophobicContact CD2-CD1 4.35Å; L107-I114 HydrophobicContact CG-CD1 4.42Å; L107-I116 HydrophobicContact CD2-CD1 3.69Å; L107-I116 HydrophobicContact CD2-CG1 4.09Å
108A93.1Very high95Very high38 Ų3852.2 Ų52.231%0.31426%0.256SS..Hα-helixtrans-65.8-25.7-177.300000112.9H104 R105 V110H104-A108 WeakPolarHBondContact O-CB 3.18Å; H104-A108 PolarHBondContact O-N 2.86Å; R105-A108 PolarHBondContact O-N 2.89Å; A108-V110 VanDerWaalsContact C-N 3.27Å; A108-V110 PolarHBondContact O-N 3.29Å
109R92.3Very high95.1Very high151 Ų15145.7 Ų45.757%0.5723%0.228SC*.Hα-helixtrans-63.4-30.7171.9179.2178.563.7-171.5-3.2112.9D76 R105 L107D76-R109 IonicContact OD1-CZ 2.65Å; D76-R109 IonicContact OD1-NE 2.69Å; D76-R109 IonicContact OD1-NH2 3.42Å; D76-R109 PolarHBondContact OD1-NH2 3.04Å; D76-R109 IonicContact OD2-CZ 2.94Å; D76-R109 IonicContact OD2-NE 3.22Å; D76-R109 IonicContact OD2-NH2 3.22Å; D76-R109 PolarHBondContact OD2-NH2 3.01Å; R105-R109 WeakPolarHBondContact O-CB 3.43Å; R105-R109 PolarHBondContact O-N 3.32Å; L107-R109 PolarHBondContact O-N 3.09Å
110V94Very high95.2Very high46 Ų4644.2 Ų44.228%0.27922%0.22SC..Hα-helixtrans-104-36.5-176.4-176.50000112.1D76 Y79 I80 L107 A108D76-V110 HydrophobicContact CB-CG2 4.03Å; Y79-V110 HydrophobicContact CD2-CB 4.38Å; Y79-V110 HydrophobicContact CD2-CG2 4.08Å; I80-V110 HydrophobicContact CG1-CG1 4.03Å; L107-V110 PolarHBondContact O-N 3.05Å; A108-V110 VanDerWaalsContact C-N 3.27Å; A108-V110 PolarHBondContact O-N 3.29Å
111C93.1Very high95.2Very high10 Ų1044.3 Ų44.37%0.06822%0.221CC..SBendtrans-117.295.9-179.1-60.40000110.2Y79 L107 I114Y79-C111 PolarHBondContact O-SG 3.38Å; L107-C111 PolarHBondContact O-N 3.38Å; C111-I114 HydrophobicContact CB-CD1 3.55Å; C111-I114 HydrophobicContact CB-CG1 3.92Å; C111-I114 HydrophobicContact CB-CG2 3.93Å
112E89.4Confident95.3Very high156 Ų15644.9 Ų44.973%0.72922%0.218SC*.THydrogen-bonded Turntrans-73.8134.9175.8-63.8-177.1-176.900111I114E112-I114 VanDerWaalsContact C-N 3.3Å; E112-I114 PolarHBondContact O-N 3.3Å
113N91.2Very high95.5Very high163 Ų16342 Ų4287%0.87220%0.203SC*.THydrogen-bonded Turntrans58.428.9168.9-56.8-48.2000116.6
114I97.3Very high95.5Very high27 Ų2743.1 Ų43.114%0.13821%0.209CC..  trans-81.5147.7172.965.1167.9000111.5G82 A85 L107 C111 E112 I116G82-I114 WeakPolarHBondContact O-CG2 3.38Å; A85-I114 HydrophobicContact CB-CD1 4.04Å; L107-I114 HydrophobicContact CD1-CD1 4.35Å; L107-I114 HydrophobicContact CD2-CD1 4.35Å; L107-I114 HydrophobicContact CG-CD1 4.42Å; C111-I114 HydrophobicContact CB-CD1 3.55Å; C111-I114 HydrophobicContact CB-CG1 3.92Å; C111-I114 HydrophobicContact CB-CG2 3.93Å; E112-I114 VanDerWaalsContact C-N 3.3Å; E112-I114 PolarHBondContact O-N 3.3Å; I114-I116 HydrophobicContact CD1-CG1 4.42Å; I114-I116 HydrophobicContact CG1-CD1 4.28Å; I114-I116 HydrophobicContact CG1-CG1 3.97Å; I114-I116 WeakPolarHBondContact O-CG1 3.48Å; I114-I116 PolarHBondContact O-N 3.38Å
115P98.2Very high95.4Very high29 Ų2944.6 Ų44.619%0.18822%0.219CC..  trans-64.8129.7169.522.2-30.4000111.1Q83 C84 A85 W162 L163 K166 L167Q83-P115 WeakPolarHBondContact O-CD 3.4Å; C84-P115 VanDerWaalsContact CA-O 3.25Å; C84-P115 WeakPolarHBondContact CA-O 3.43Å; C84-P115 HydrophobicContact CB-CG 4.15Å; C84-P115 WeakPolarHBondContact CB-O 3.1Å; A85-P115 PolarHBondContact N-O 2.94Å; P115-W162 HydrophobicContact CB-CH2 4.28Å; P115-W162 HydrophobicContact CB-CZ3 3.81Å; P115-L163 HydrophobicContact CB-CD2 3.9Å; P115-L163 HydrophobicContact CG-CD2 4.35Å; P115-L163 WeakPolarHBondContact O-CD2 3.44Å; P115-K166 HydrophobicContact CB-CB 3.87Å; P115-K166 HydrophobicContact CB-CG 4.34Å; P115-K166 HydrophobicContact CG-CB 4.17Å; P115-L167 HydrophobicContact CG-CD2 3.95Å; P115-L167 HydrophobicContact CG-CG 4.13Å
116I98.5Very high95.3Very high12 Ų1246.4 Ų46.46%0.06223%0.231CC..EExtended strand (participates in β ladder)trans-128.3135.8-176.9-58.8169.2000109.4A85 I87 L107 I114 L143 Q144A85-I116 HydrophobicContact CB-CG1 4.18Å; A85-I116 HydrophobicContact CB-CG2 4.5Å; A85-I116 WeakPolarHBondContact O-CA 3.48Å; I87-I116 HydrophobicContact CD1-CG2 3.98Å; I87-I116 HydrophobicContact CG1-CG2 3.91Å; L107-I116 HydrophobicContact CD2-CD1 3.69Å; L107-I116 HydrophobicContact CD2-CG1 4.09Å; I114-I116 HydrophobicContact CD1-CG1 4.42Å; I114-I116 HydrophobicContact CG1-CD1 4.28Å; I114-I116 HydrophobicContact CG1-CG1 3.97Å; I114-I116 WeakPolarHBondContact O-CG1 3.48Å; I114-I116 PolarHBondContact O-N 3.38Å; I116-L143 HydrophobicContact CB-CD2 3.98Å; I116-L143 HydrophobicContact CD1-CD2 4.35Å; I116-L143 HydrophobicContact CG2-CD1 4.32Å; I116-L143 HydrophobicContact CG2-CD2 4.28Å; I116-Q144 PolarHBondContact O-N 3.49Å
117V98.7Very high95.4Very high0 Ų050 Ų500%025%0.25CS..EExtended strand (participates in β ladder)trans-110.9130.4170.4-176.10000109.6A85 I86 I87 Q144 Y146 P159 W162 L163A85-V117 PolarHBondContact O-N 2.81Å; I86-V117 CarbonylContact C-O 3.58Å; I86-V117 VanDerWaalsContact CA-O 3.29Å; I86-V117 WeakPolarHBondContact CA-O 3.1Å; I86-V117 HydrophobicContact CG1-CB 4.38Å; I87-V117 PolarHBondContact N-O 3.49Å; V117-Q144 CarbonylContact C-O 3.55Å; V117-Q144 WeakPolarHBondContact CA-O 3.47Å; V117-Q144 HydrophobicContact CG2-CB 4.31Å; V117-Y146 HydrophobicContact CG1-CD2 3.73Å; V117-Y146 HydrophobicContact CG1-CE2 4.25Å; V117-P159 HydrophobicContact CB-CB 4.42Å; V117-P159 HydrophobicContact CG1-CB 4Å; V117-P159 HydrophobicContact CG1-CG 4.39Å; V117-W162 HydrophobicContact CG2-CD2 4.27Å; V117-W162 HydrophobicContact CG2-CE3 3.47Å; V117-W162 VanDerWaalsContact CG2-CE3 3.47Å; V117-W162 HydrophobicContact CG2-CZ3 3.91Å; V117-L163 HydrophobicContact CG2-CD1 4.25Å; V117-L163 HydrophobicContact CG2-CD2 3.82Å; V117-L163 HydrophobicContact CG2-CG 3.71Å
118L98.7Very high95.5Very high0 Ų051.1 Ų51.10%025%0.254CS..EExtended strand (participates in β ladder)trans-91.7124.6167.9-179.365.5000109.2I87 F89 Y97 V100 I135 H138 Q144 Y145 Y146I87-L118 HydrophobicContact CB-CD1 4.09Å; I87-L118 HydrophobicContact CG2-CD1 4.17Å; I87-L118 CarbonylContact O-C 3.6Å; I87-L118 WeakPolarHBondContact O-CA 2.96Å; F89-L118 HydrophobicContact CD1-CD1 3.76Å; F89-L118 HydrophobicContact CD1-CG 4.2Å; F89-L118 HydrophobicContact CE1-CD1 3.99Å; F89-L118 HydrophobicContact CE1-CD2 4.16Å; F89-L118 HydrophobicContact CE1-CG 3.91Å; Y97-L118 HydrophobicContact CE2-CD2 4.28Å; V100-L118 HydrophobicContact CB-CD1 4.46Å; V100-L118 HydrophobicContact CG1-CD1 3.64Å; V100-L118 HydrophobicContact CG1-CD2 4.45Å; V100-L118 HydrophobicContact CG2-CD1 3.9Å; L118-I135 HydrophobicContact CD2-CG2 4.32Å; L118-H138 HydrophobicContact CD2-CB 4.05Å; L118-Q144 PolarHBondContact N-O 2.95Å; L118-Y145 HydrophobicContact CB-CD2 4.1Å; L118-Y145 HydrophobicContact CD2-CD2 3.92Å; L118-Y145 HydrophobicContact CD2-CE2 4.43Å; L118-Y145 HydrophobicContact CG-CD2 3.86Å; L118-Y145 HydrophobicContact CG-CE2 4.29Å; L118-Y145 WeakPolarHBondContact O-CA 3.28Å; L118-Y145 VanDerWaalsContact O-CD2 3.27Å; L118-Y145 WeakPolarHBondContact O-CD2 3.16Å; L118-Y146 PolarHBondContact O-N 3.31Å
119C98.8Very high95.7Very high0 Ų053.2 Ų53.20%026%0.257CS..EExtended strand (participates in β ladder)trans-116.6121.8-179.9-700000111.3I86 I87 M88 F89 Y146 I148 P159I86-C119 HydrophobicContact CG2-CB 4.21Å; I87-C119 PolarHBondContact O-N 2.96Å; M88-C119 WeakPolarHBondContact CA-O 2.94Å; F89-C119 WeakPolarHBondContact CD1-O 3.06Å; F89-C119 PolarHBondContact N-O 2.76Å; C119-Y146 WeakPolarHBondContact CA-O 3.28Å; C119-I148 HydrophobicContact CB-CD1 3.77Å; C119-I148 HydrophobicContact CB-CG1 4.14Å; C119-P159 VanDerWaalsContact SG-CG 3.5Å
120G98.7Very high95.9Very high0 Ų046.2 Ų46.20%023%0.231CC..EExtended strand (participates in β ladder)trans-89.7101.8166.500000109.8F89 Y146 I148F89-G120 VanDerWaalsContact CZ-CA 3.47Å; G120-Y146 PolarHBondContact N-O 2.68Å; G120-I148 PolarHBondContact O-N 3.33Å
121N98.5Very high96Very high4 Ų449.7 Ų49.72%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-87.1165.5-177.9-169.429.7000112.4T20 M88 F89 V91 I148 A150T20-N121 PolarHBondContact O-ND2 3.13Å; M88-N121 HydrophobicContact CG-CB 3.97Å; M88-N121 HydrophobicContact SD-CB 3.88Å; F89-N121 PolarHBondContact O-N 3.17Å; V91-N121 WeakPolarHBondContact CG2-O 3.37Å; V91-N121 PolarHBondContact N-O 3.24Å; N121-I148 CarbonylContact C-O 3.56Å; N121-I148 VanDerWaalsContact CA-O 3.28Å; N121-I148 WeakPolarHBondContact CA-O 3.44Å; N121-I148 HydrophobicContact CB-CD1 4.23Å; N121-I148 HydrophobicContact CB-CG1 3.94Å; N121-I148 PolarHBondContact OD1-O 2.81Å; N121-A150 PolarHBondContact OD1-N 3.32Å; N121-A150 VanDerWaalsContact OD1-N 3.11Å
122K97.3Very high96.1Very high60 Ų6049.4 Ų49.426%0.26124%0.241SC..  trans69.831.3176.8-46.8-169.6-165.2165.70114.7G19 D90 T92 D124 V125 I148G19-K122 WeakPolarHBondContact O-CE 3.47Å; G19-K122 PolarHBondContact O-NZ 3.13Å; D90-K122 WeakPolarHBondContact OD1-CD 3.36Å; D90-K122 WeakPolarHBondContact OD2-CD 3.31Å; D90-K122 VanDerWaalsContact OD2-CE 3.25Å; D90-K122 WeakPolarHBondContact OD2-CE 3.46Å; D90-K122 IonicContact OD2-NZ 2.68Å; D90-K122 PolarHBondContact OD2-NZ 2.98Å; T92-K122 HydrophobicContact CG2-CB 4.45Å; K122-D124 WeakPolarHBondContact CA-OD1 3.25Å; K122-D124 PolarHBondContact O-N 2.81Å; K122-D124 VanDerWaalsContact O-N 3.14Å; K122-V125 HydrophobicContact CB-CG2 4.27Å; K122-V125 WeakPolarHBondContact O-CB 3.34Å; K122-V125 PolarHBondContact O-N 3.45Å; K122-I148 PolarHBondContact N-O 2.84Å
123V97.4Very high96.2Very high0 Ų049.6 Ų49.60%024%0.239CC..THydrogen-bonded Turntrans-65.9-11.6175.6-59.40000113.7V91 V125 D147 I148 Y154 M188 Y196V91-V123 HydrophobicContact CG1-CG1 3.95Å; V91-V123 HydrophobicContact CG2-CG1 4.09Å; V123-V125 PolarHBondContact O-N 3.04Å; V123-D147 HydrophobicContact CG1-CB 3.85Å; V123-I148 WeakPolarHBondContact CG2-O 3.07Å; V123-I148 PolarHBondContact N-O 3.27Å; V123-Y154 HydrophobicContact CG2-CD1 3.62Å; V123-Y154 HydrophobicContact CG2-CE1 4.09Å; V123-M188 HydrophobicContact CB-CE 4.19Å; V123-M188 HydrophobicContact CG2-CE 3.57Å; V123-M188 HydrophobicContact CG2-SD 3.76Å; V123-Y196 HydrophobicContact CB-CD2 4.27Å; V123-Y196 HydrophobicContact CB-CE2 3.96Å; V123-Y196 WeakPolarHBondContact O-CE2 3.43Å
124D95.3Very high96.4Very high26 Ų2645 Ų4514%0.13922%0.217CC..THydrogen-bonded Turntrans-65.3-16.3169.458.5-73.4000113.4K122 S149 K151 M188K122-D124 WeakPolarHBondContact CA-OD1 3.25Å; K122-D124 PolarHBondContact O-N 2.81Å; K122-D124 VanDerWaalsContact O-N 3.14Å; D124-S149 WeakPolarHBondContact CB-OG 3.32Å; D124-S149 VanDerWaalsContact CG-OG 3.24Å; D124-S149 WeakPolarHBondContact OD1-CB 3.15Å; D124-S149 PolarHBondContact OD1-OG 3.08Å; D124-K151 VanDerWaalsContact OD2-CD 3.23Å; D124-K151 WeakPolarHBondContact OD2-CD 3.24Å; D124-M188 HydrophobicContact CB-CG 3.99Å; D124-M188 HydrophobicContact CB-SD 4.35Å
125V94.5Very high96.3Very high56 Ų5643.9 Ų43.934%0.33921%0.211SC..SBendtrans-86.1120.5178.7-1770000110.3T92 K122 V123 D127T92-V125 HydrophobicContact CG2-CB 3.62Å; T92-V125 HydrophobicContact CG2-CG1 3.7Å; T92-V125 HydrophobicContact CG2-CG2 4.08Å; K122-V125 HydrophobicContact CB-CG2 4.27Å; K122-V125 WeakPolarHBondContact O-CB 3.34Å; K122-V125 PolarHBondContact O-N 3.45Å; V123-V125 PolarHBondContact O-N 3.04Å; V125-D127 VanDerWaalsContact C-N 3.29Å; V125-D127 PolarHBondContact O-N 3.02Å
126K91.2Very high96.2Very high176 Ų17643.8 Ų43.877%0.76521%0.21SC*.SBendtrans-57.5-36.7-178.7-68.4-171.9177.5-172.20113.8R128 M192K126-R128 PolarHBondContact O-N 3.17Å; K126-M192 HydrophobicContact CG-CE 3.77Å
127D93.4Very high96.1Very high95 Ų9544.3 Ų44.351%0.50821%0.212SC..SBendtrans-81.759-178.3-169.823.2000112.3V125 K129V125-D127 VanDerWaalsContact C-N 3.29Å; V125-D127 PolarHBondContact O-N 3.02Å; D127-K129 VanDerWaalsContact CG-CE 3.44Å; D127-K129 PolarHBondContact O-N 2.96Å; D127-K129 VanDerWaalsContact OD1-CE 3.32Å; D127-K129 WeakPolarHBondContact OD1-CE 3.16Å; D127-K129 IonicContact OD1-NZ 2.67Å; D127-K129 PolarHBondContact OD1-NZ 3.31Å; D127-K129 WeakPolarHBondContact OD2-CE 3.03Å; D127-K129 IonicContact OD2-NZ 2.66Å; D127-K129 PolarHBondContact OD2-NZ 3.44Å
128R96.3Very high95.9Very high24 Ų2446 Ų469%0.09122%0.219CC..  trans-66117.8178.1-178.5174.4-175.2148.17.4110.8V91 K126 V130 D147V91-R128 HydrophobicContact CB-CG 4.11Å; V91-R128 HydrophobicContact CG2-CG 4.11Å; K126-R128 PolarHBondContact O-N 3.17Å; R128-V130 WeakPolarHBondContact CG-O 3.45Å; R128-V130 PolarHBondContact NE-O 3.12Å; R128-D147 IonicContact CZ-OD1 2.72Å; R128-D147 IonicContact CZ-OD2 3.46Å; R128-D147 IonicContact NH1-OD1 3.86Å; R128-D147 IonicContact NH1-OD2 2.95Å; R128-D147 PolarHBondContact NH1-OD2 3.11Å; R128-D147 IonicContact NH2-OD1 3.71Å; R128-D147 PolarHBondContact NH2-OD1 3.18Å; R128-D147 IonicContact NH2-OD2 3.66Å; R128-D147 PolarHBondContact NH2-OD2 3.13Å
129K97.1Very high95.6Very high83 Ų8349.7 Ų49.736%0.36123%0.234SC..  trans-94.7-28.6-178.6-58.5-56.3-171.3-168.30114.1V91 T92 R94 D127V91-K129 WeakPolarHBondContact O-CA 3.32Å; V91-K129 PolarHBondContact O-N 3.01Å; T92-K129 WeakPolarHBondContact O-CG 3.38Å; R94-K129 HydrophobicContact CG-CB 3.9Å; R94-K129 PolarHBondContact NE-O 2.73Å; D127-K129 VanDerWaalsContact CG-CE 3.44Å; D127-K129 PolarHBondContact O-N 2.96Å; D127-K129 VanDerWaalsContact OD1-CE 3.32Å; D127-K129 WeakPolarHBondContact OD1-CE 3.16Å; D127-K129 IonicContact OD1-NZ 2.67Å; D127-K129 PolarHBondContact OD1-NZ 3.31Å; D127-K129 WeakPolarHBondContact OD2-CE 3.03Å; D127-K129 IonicContact OD2-NZ 2.66Å; D127-K129 PolarHBondContact OD2-NZ 3.44Å
130V97Very high95.3Very high4 Ų453.1 Ų53.12%0.02425%0.249CC..SBendtrans-104.6104177.4-172.50000108.2F89 V91 R94 Y97 R128 I135F89-V130 HydrophobicContact CE2-CB 4.18Å; F89-V130 HydrophobicContact CE2-CG1 3.88Å; V91-V130 PolarHBondContact O-N 3.5Å; R94-V130 HydrophobicContact CG-CG2 4.23Å; Y97-V130 HydrophobicContact CD1-CG1 4.07Å; Y97-V130 HydrophobicContact CD2-CG1 4.27Å; Y97-V130 HydrophobicContact CG-CG1 3.84Å; R128-V130 WeakPolarHBondContact CG-O 3.45Å; R128-V130 PolarHBondContact NE-O 3.12Å; V130-I135 HydrophobicContact CG1-CD1 3.96Å; V130-I135 HydrophobicContact CG1-CG1 3.6Å
131K95.1Very high95.1Very high118 Ų11858.3 Ų58.351%0.51327%0.271SS..  trans-88.3158.4-174.3-65.3-172.5173.3-167.40110.7K133 T134 I135K131-K133 HydrophobicContact CB-CG 4.24Å; K131-K133 PolarHBondContact O-N 3.39Å; K131-K133 VanDerWaalsContact O-N 3.17Å; K131-T134 PolarHBondContact N-OG1 3.04Å; K131-T134 PolarHBondContact O-N 3.06Å; K131-T134 PolarHBondContact O-OG1 3.22Å; K131-I135 WeakPolarHBondContact O-CG1 3.48Å; K131-I135 PolarHBondContact O-N 2.69Å
132A94.3Very high94.8Very high5 Ų565.2 Ų65.24%0.04131%0.308CS..G310 helixtrans-48-46.6178.400000112.9T134 I135 D199 L200 A203A132-T134 PolarHBondContact O-N 3.47Å; A132-T134 VanDerWaalsContact O-N 3.12Å; A132-I135 PolarHBondContact O-N 2.85Å; A132-D199 HydrophobicContact CB-CB 3.83Å; A132-D199 WeakPolarHBondContact CB-O 3.49Å; A132-L200 HydrophobicContact CB-CD2 3.78Å; A132-L200 HydrophobicContact CB-CG 4.19Å; A132-A203 HydrophobicContact CB-CB 4.08Å
133K93.4Very high94.8Very high160 Ų16063.3 Ų63.370%0.69630%0.3SS*.G310 helixtrans-59.2-23.9178.569.9174.4-174.1170.90115.4K131K131-K133 HydrophobicContact CB-CG 4.24Å; K131-K133 PolarHBondContact O-N 3.39Å; K131-K133 VanDerWaalsContact O-N 3.17Å
134T93.6Very high94.8Very high66 Ų6666.1 Ų66.141%0.40531%0.314SS..G310 helixtrans-90.5-9.1178.361.50000112.1Y97 K131 A132 T136Y97-T134 VanDerWaalsContact CE1-O 3.24Å; Y97-T134 WeakPolarHBondContact CE1-O 3.01Å; K131-T134 PolarHBondContact N-OG1 3.04Å; K131-T134 PolarHBondContact O-N 3.06Å; K131-T134 PolarHBondContact O-OG1 3.22Å; A132-T134 PolarHBondContact O-N 3.47Å; A132-T134 VanDerWaalsContact O-N 3.12Å; T134-T136 PolarHBondContact O-N 2.48Å
135I96Very high95Very high4 Ų465.6 Ų65.62%0.02131%0.31CS..  trans-93.878.3-174.6-59.7159.6000109.4F89 Y97 L118 V130 K131 A132 H138 Y145F89-I135 HydrophobicContact CE2-CD1 4.42Å; F89-I135 HydrophobicContact CZ-CD1 3.88Å; F89-I135 HydrophobicContact CZ-CG1 4.12Å; F89-I135 HydrophobicContact CZ-CG2 4.46Å; Y97-I135 HydrophobicContact CE2-CB 4.32Å; Y97-I135 HydrophobicContact CE2-CG1 4.16Å; Y97-I135 HydrophobicContact CE2-CG2 3.88Å; Y97-I135 VanDerWaalsContact OH-CA 3.28Å; Y97-I135 WeakPolarHBondContact OH-CA 3.5Å; L118-I135 HydrophobicContact CD2-CG2 4.32Å; V130-I135 HydrophobicContact CG1-CD1 3.96Å; V130-I135 HydrophobicContact CG1-CG1 3.6Å; K131-I135 WeakPolarHBondContact O-CG1 3.48Å; K131-I135 PolarHBondContact O-N 2.69Å; A132-I135 PolarHBondContact O-N 2.85Å; I135-H138 PolarHBondContact O-CE1 2.84Å; I135-H138 PolarHBondContact O-ND1 2.84Å; I135-H138 VanDerWaalsContact O-ND1 3.11Å; I135-Y145 HydrophobicContact CD1-CE1 4.44Å; I135-Y145 HydrophobicContact CD1-CE2 4.42Å; I135-Y145 WeakPolarHBondContact CD1-OH 3.3Å; I135-Y145 HydrophobicContact CG2-CD2 3.9Å; I135-Y145 HydrophobicContact CG2-CE2 3.77Å; I135-Y145 HydrophobicContact CG2-CG 4.31Å
136T95.7Very high95.1Very high27 Ų2765 Ų6517%0.16630%0.302CS..  trans-106.8-19-174.357.90000113.6Y97 T134 H138 R139 K140 L208 P209Y97-T136 PolarHBondContact OH-N 2.82Å; T134-T136 PolarHBondContact O-N 2.48Å; T136-H138 VanDerWaalsContact C-N 3.27Å; T136-H138 PolarHBondContact O-N 2.81Å; T136-H138 VanDerWaalsContact O-N 3.13Å; T136-R139 WeakPolarHBondContact O-CB 3.21Å; T136-R139 PolarHBondContact O-N 2.96Å; T136-K140 PolarHBondContact O-N 3.33Å; T136-L208 HydrophobicContact CG2-CD2 4.2Å; T136-P209 HydrophobicContact CG2-CG 4.39Å
137F96.3Very high95.5Very high22 Ų2256.7 Ų56.710%0.09627%0.266CS..Hα-helixtrans-52.6-40.2-175.2-174.2-99.5000114.2Y97 V100 P101 H104 R139 K140 K141 L143Y97-F137 WeakPolarHBondContact OH-CB 3.33Å; Y97-F137 PolarHBondContact OH-N 2.97Å; Y97-F137 VanDerWaalsContact OH-N 3.08Å; V100-F137 HydrophobicContact CG1-CD1 3.5Å; V100-F137 HydrophobicContact CG1-CE1 3.76Å; V100-F137 HydrophobicContact CG1-CG 4.14Å; P101-F137 HydrophobicContact CB-CD2 4.35Å; P101-F137 HydrophobicContact CB-CE2 3.72Å; P101-F137 HydrophobicContact CB-CZ 4.24Å; P101-F137 HydrophobicContact CG-CD2 3.81Å; P101-F137 HydrophobicContact CG-CE2 3.7Å; P101-F137 HydrophobicContact CG-CZ 4.44Å; H104-F137 HydrophobicContact CB-CE1 3.68Å; H104-F137 HydrophobicContact CB-CZ 3.6Å; H104-F137 AromaticContact CD2-CE1 3.92Å; H104-F137 AromaticContact CG-CE1 3.73Å; H104-F137 AromaticContact CG-CZ 3.62Å; H104-F137 AromaticContact ND1-CZ 3.96Å; F137-R139 VanDerWaalsContact C-N 3.28Å; F137-R139 PolarHBondContact O-N 3.26Å; F137-K140 PolarHBondContact O-N 3.29Å; F137-K141 HydrophobicContact CD1-CG 4.4Å; F137-K141 HydrophobicContact CD2-CG 4.47Å; F137-K141 HydrophobicContact CE1-CB 4.34Å; F137-K141 HydrophobicContact CE1-CG 3.82Å; F137-K141 HydrophobicContact CE2-CG 3.89Å; F137-K141 HydrophobicContact CZ-CD 4.49Å; F137-K141 HydrophobicContact CZ-CG 3.53Å; F137-K141 PolarHBondContact O-N 3.48Å; F137-L143 HydrophobicContact CD1-CD1 4.04Å; F137-L143 HydrophobicContact CE1-CD1 3.88Å
138H95.2Very high95.7Very high35 Ų3552.1 Ų52.116%0.16224%0.241CC..Hα-helixtrans-62-34.7-18071.5-83.3000112.5L118 I135 T136 N142 L143L118-H138 HydrophobicContact CD2-CB 4.05Å; I135-H138 PolarHBondContact O-CE1 2.84Å; I135-H138 PolarHBondContact O-ND1 2.84Å; I135-H138 VanDerWaalsContact O-ND1 3.11Å; T136-H138 VanDerWaalsContact C-N 3.27Å; T136-H138 PolarHBondContact O-N 2.81Å; T136-H138 VanDerWaalsContact O-N 3.13Å; H138-N142 CarbonylContact O-C 3.54Å; H138-N142 WeakPolarHBondContact O-CA 3.4Å; H138-N142 PolarHBondContact O-N 3.18Å; H138-L143 HydrophobicContact CB-CB 4.06Å; H138-L143 PolarHBondContact O-N 3.42Å
139R93.2Very high95.7Very high78 Ų7851 Ų5129%0.29424%0.237SC..Hα-helixtrans-69-44.1176-62.7175.562.3-166.2-2.4110.7T136 F137 K141 N142 A203 A206 L208T136-R139 WeakPolarHBondContact O-CB 3.21Å; T136-R139 PolarHBondContact O-N 2.96Å; F137-R139 VanDerWaalsContact C-N 3.28Å; F137-R139 PolarHBondContact O-N 3.26Å; R139-K141 VanDerWaalsContact C-N 3.27Å; R139-K141 PolarHBondContact O-N 3.04Å; R139-N142 PolarHBondContact O-N 3.49Å; R139-A203 PolarHBondContact NH1-O 3.29Å; R139-A206 VanDerWaalsContact CZ-O 3.23Å; R139-A206 PolarHBondContact NH1-O 3.46Å; R139-A206 PolarHBondContact NH2-O 2.96Å; R139-L208 HydrophobicContact CB-CD1 4.23Å; R139-L208 HydrophobicContact CB-CD2 3.87Å; R139-L208 HydrophobicContact CG-CD2 4.41Å
140K91.5Very high95.6Very high73 Ų7347.2 Ų47.232%0.31722%0.221SC..Hα-helixtrans-62.5-31.1177.9-61.7-167.8-178.5-162.90113.1T136 F137 L208 D211T136-K140 PolarHBondContact O-N 3.33Å; F137-K140 PolarHBondContact O-N 3.29Å; K140-L208 HydrophobicContact CG-CD1 4.42Å; K140-D211 WeakPolarHBondContact CE-OD1 3.16Å; K140-D211 IonicContact NZ-OD1 2.83Å; K140-D211 PolarHBondContact NZ-OD1 3.23Å
141K94.1Very high95.4Very high108 Ų10850.3 Ų50.347%0.4723%0.234SC..THydrogen-bonded Turntrans-109.48.9-177.6-60.8-56.3-176.6-169.80114.6F137 R139 L143F137-K141 HydrophobicContact CD1-CG 4.4Å; F137-K141 HydrophobicContact CD2-CG 4.47Å; F137-K141 HydrophobicContact CE1-CB 4.34Å; F137-K141 HydrophobicContact CE1-CG 3.82Å; F137-K141 HydrophobicContact CE2-CG 3.89Å; F137-K141 HydrophobicContact CZ-CD 4.49Å; F137-K141 HydrophobicContact CZ-CG 3.53Å; F137-K141 PolarHBondContact O-N 3.48Å; R139-K141 VanDerWaalsContact C-N 3.27Å; R139-K141 PolarHBondContact O-N 3.04Å; K141-L143 VanDerWaalsContact C-N 3.29Å; K141-L143 HydrophobicContact CB-CD1 4.06Å; K141-L143 HydrophobicContact CB-CD2 3.88Å; K141-L143 HydrophobicContact CB-CG 3.76Å; K141-L143 VanDerWaalsContact O-CD2 3.22Å; K141-L143 WeakPolarHBondContact O-CD2 3.38Å; K141-L143 PolarHBondContact O-N 2.86Å
142N93.2Very high95.3Very high150 Ų15045.4 Ų45.480%0.80222%0.215SC*.THydrogen-bonded Turntrans52.743.4-178-167.331.9000113.8H138 R139H138-N142 CarbonylContact O-C 3.54Å; H138-N142 WeakPolarHBondContact O-CA 3.4Å; H138-N142 PolarHBondContact O-N 3.18Å; R139-N142 PolarHBondContact O-N 3.49Å
143L97.1Very high95.2Very high19 Ų1946.8 Ų46.810%0.09922%0.222CC..  trans-97.6151.3176.5-37.8177.6000109.5I116 F137 H138 K141I116-L143 HydrophobicContact CB-CD2 3.98Å; I116-L143 HydrophobicContact CD1-CD2 4.35Å; I116-L143 HydrophobicContact CG2-CD1 4.32Å; I116-L143 HydrophobicContact CG2-CD2 4.28Å; F137-L143 HydrophobicContact CD1-CD1 4.04Å; F137-L143 HydrophobicContact CE1-CD1 3.88Å; H138-L143 HydrophobicContact CB-CB 4.06Å; H138-L143 PolarHBondContact O-N 3.42Å; K141-L143 VanDerWaalsContact C-N 3.29Å; K141-L143 HydrophobicContact CB-CD1 4.06Å; K141-L143 HydrophobicContact CB-CD2 3.88Å; K141-L143 HydrophobicContact CB-CG 3.76Å; K141-L143 VanDerWaalsContact O-CD2 3.22Å; K141-L143 WeakPolarHBondContact O-CD2 3.38Å; K141-L143 PolarHBondContact O-N 2.86Å
144Q97.6Very high95.3Very high59 Ų5940.4 Ų40.428%0.27619%0.194SC..EExtended strand (participates in β ladder)trans-77140.1167.3-177.661.846.500110.1I116 V117 L118 Y146 W162I116-Q144 PolarHBondContact O-N 3.49Å; V117-Q144 CarbonylContact C-O 3.55Å; V117-Q144 WeakPolarHBondContact CA-O 3.47Å; V117-Q144 HydrophobicContact CG2-CB 4.31Å; L118-Q144 PolarHBondContact N-O 2.95Å; Q144-Y146 HydrophobicContact CG-CD2 4.04Å; Q144-Y146 HydrophobicContact CG-CE2 3.39Å; Q144-W162 HydrophobicContact CB-CD2 3.68Å; Q144-W162 VanDerWaalsContact CB-CE2 3.44Å; Q144-W162 HydrophobicContact CB-CE3 4.04Å; Q144-W162 HydrophobicContact CB-CG 4.18Å; Q144-W162 HydrophobicContact CB-CH2 3.98Å; Q144-W162 HydrophobicContact CB-CZ2 3.61Å; Q144-W162 HydrophobicContact CB-CZ3 4.17Å; Q144-W162 HydrophobicContact CG-CD2 3.92Å; Q144-W162 HydrophobicContact CG-CG 3.85Å; Q144-W162 HydrophobicContact CG-CZ2 4.49Å; Q144-W162 VanDerWaalsContact OE1-NE1 3.11Å
145Y98.3Very high95.3Very high15 Ų1538.5 Ų38.56%0.05918%0.181CC..EExtended strand (participates in β ladder)trans-112.1141.6172.9179.6-103000112F89 L118 I135 D147 L200F89-Y145 AromaticContact CE1-CE2 3.69Å; F89-Y145 HydrophobicContact CE1-CE2 3.69Å; F89-Y145 AromaticContact CZ-CE2 3.82Å; F89-Y145 HydrophobicContact CZ-CE2 3.82Å; L118-Y145 HydrophobicContact CB-CD2 4.1Å; L118-Y145 HydrophobicContact CD2-CD2 3.92Å; L118-Y145 HydrophobicContact CD2-CE2 4.43Å; L118-Y145 HydrophobicContact CG-CD2 3.86Å; L118-Y145 HydrophobicContact CG-CE2 4.29Å; L118-Y145 WeakPolarHBondContact O-CA 3.28Å; L118-Y145 VanDerWaalsContact O-CD2 3.27Å; L118-Y145 WeakPolarHBondContact O-CD2 3.16Å; I135-Y145 HydrophobicContact CD1-CE1 4.44Å; I135-Y145 HydrophobicContact CD1-CE2 4.42Å; I135-Y145 WeakPolarHBondContact CD1-OH 3.3Å; I135-Y145 HydrophobicContact CG2-CD2 3.9Å; I135-Y145 HydrophobicContact CG2-CE2 3.77Å; I135-Y145 HydrophobicContact CG2-CG 4.31Å; Y145-D147 WeakPolarHBondContact CE1-OD1 3.44Å; Y145-D147 VanDerWaalsContact CZ-OD1 3.29Å; Y145-D147 PolarHBondContact OH-OD1 2.59Å; Y145-L200 HydrophobicContact CD1-CD2 3.79Å; Y145-L200 HydrophobicContact CE1-CD1 4.12Å; Y145-L200 HydrophobicContact CE1-CD2 3.44Å; Y145-L200 VanDerWaalsContact CE1-CD2 3.44Å; Y145-L200 HydrophobicContact CE1-CG 4.46Å
146Y98.3Very high95.1Very high44 Ų4438.6 Ų38.617%0.17318%0.181CC..EExtended strand (participates in β ladder)trans-138.9134.8164.9-65.8-65.7000111.7V117 L118 C119 G120 Q144 K158 P159 W162V117-Y146 HydrophobicContact CG1-CD2 3.73Å; V117-Y146 HydrophobicContact CG1-CE2 4.25Å; L118-Y146 PolarHBondContact O-N 3.31Å; C119-Y146 WeakPolarHBondContact CA-O 3.28Å; G120-Y146 PolarHBondContact N-O 2.68Å; Q144-Y146 HydrophobicContact CG-CD2 4.04Å; Q144-Y146 HydrophobicContact CG-CE2 3.39Å; Y146-K158 HydrophobicContact CD1-CB 3.98Å; Y146-K158 HydrophobicContact CD1-CD 3.86Å; Y146-K158 HydrophobicContact CD2-CB 4.04Å; Y146-K158 HydrophobicContact CE1-CB 3.91Å; Y146-K158 HydrophobicContact CE1-CD 3.79Å; Y146-K158 HydrophobicContact CE1-CG 4.43Å; Y146-K158 HydrophobicContact CE2-CB 3.95Å; Y146-K158 HydrophobicContact CG-CB 4.06Å; Y146-P159 HydrophobicContact CD2-CG 4.13Å; Y146-W162 HydrophobicContact CE2-CB 4.07Å
147D98Very high95Very high1 Ų140.3 Ų40.31%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-70130.6155.5-88.8-0.9000108.7V123 R128 Y145 Y154 N155 L200V123-D147 HydrophobicContact CG1-CB 3.85Å; R128-D147 IonicContact CZ-OD1 2.72Å; R128-D147 IonicContact CZ-OD2 3.46Å; R128-D147 IonicContact NH1-OD1 3.86Å; R128-D147 IonicContact NH1-OD2 2.95Å; R128-D147 PolarHBondContact NH1-OD2 3.11Å; R128-D147 IonicContact NH2-OD1 3.71Å; R128-D147 PolarHBondContact NH2-OD1 3.18Å; R128-D147 IonicContact NH2-OD2 3.66Å; R128-D147 PolarHBondContact NH2-OD2 3.13Å; Y145-D147 WeakPolarHBondContact CE1-OD1 3.44Å; Y145-D147 VanDerWaalsContact CZ-OD1 3.29Å; Y145-D147 PolarHBondContact OH-OD1 2.59Å; D147-Y154 HydrophobicContact CB-CE1 4.15Å; D147-N155 WeakPolarHBondContact O-CB 3.28Å; D147-N155 PolarHBondContact O-ND2 2.66Å; D147-L200 HydrophobicContact CB-CD1 4.23Å
148I98Very high95.1Very high0 Ų042.7 Ų42.70%020%0.198CC..  trans-136.1158177.368.7168.6000111.4F25 M88 C119 G120 N121 K122 V123 Y154 N155 P159F25-I148 HydrophobicContact CD2-CD1 3.71Å; F25-I148 HydrophobicContact CE2-CD1 3.67Å; F25-I148 HydrophobicContact CZ-CD1 4.45Å; M88-I148 HydrophobicContact CE-CD1 3.83Å; C119-I148 HydrophobicContact CB-CD1 3.77Å; C119-I148 HydrophobicContact CB-CG1 4.14Å; G120-I148 PolarHBondContact O-N 3.33Å; N121-I148 CarbonylContact C-O 3.56Å; N121-I148 VanDerWaalsContact CA-O 3.28Å; N121-I148 WeakPolarHBondContact CA-O 3.44Å; N121-I148 HydrophobicContact CB-CD1 4.23Å; N121-I148 HydrophobicContact CB-CG1 3.94Å; N121-I148 PolarHBondContact OD1-O 2.81Å; K122-I148 PolarHBondContact N-O 2.84Å; V123-I148 WeakPolarHBondContact CG2-O 3.07Å; V123-I148 PolarHBondContact N-O 3.27Å; I148-Y154 WeakPolarHBondContact CA-O 3.35Å; I148-N155 HydrophobicContact CG2-CB 4.11Å; I148-P159 HydrophobicContact CG2-CG 4.21Å
149S97Very high95.2Very high0 Ų041 Ų410%019%0.19CC..BIsolated β-bridgetrans-137.2111.9164.7165.30000110.1D124 K151 S152 N153 Y154D124-S149 WeakPolarHBondContact CB-OG 3.32Å; D124-S149 VanDerWaalsContact CG-OG 3.24Å; D124-S149 WeakPolarHBondContact OD1-CB 3.15Å; D124-S149 PolarHBondContact OD1-OG 3.08Å; S149-K151 PolarHBondContact O-N 3.45Å; S149-K151 PolarHBondContact OG-N 3.47Å; S149-S152 WeakPolarHBondContact CB-OG 3.35Å; S149-S152 PolarHBondContact O-N 3.12Å; S149-S152 PolarHBondContact OG-N 2.98Å; S149-S152 VanDerWaalsContact OG-N 3.13Å; S149-S152 PolarHBondContact OG-OG 3.47Å; S149-N153 WeakPolarHBondContact O-CA 3.49Å; S149-N153 PolarHBondContact O-N 3.25Å; S149-Y154 PolarHBondContact N-O 2.73Å; S149-Y154 PolarHBondContact O-N 2.86Å
150A94.1Very high95.5Very high3 Ų337.4 Ų37.43%0.02518%0.176CC..THydrogen-bonded Turntrans-61.9-21173.200000112.7T24 F25 F34 N121 F156T24-A150 HydrophobicContact CG2-CB 4.2Å; F25-A150 HydrophobicContact CB-CB 4.32Å; F34-A150 WeakPolarHBondContact CD2-O 3.41Å; N121-A150 PolarHBondContact OD1-N 3.32Å; N121-A150 VanDerWaalsContact OD1-N 3.11Å; A150-F156 HydrophobicContact CB-CE2 4.31Å
151K92.9Very high95.8Very high69 Ų6935.3 Ų35.330%0.317%0.168SC..THydrogen-bonded Turntrans-81.7-37.9-178.9-165.9180-167.3-169.50112.9F34 D124 S149 E185 V186F34-K151 HydrophobicContact CD2-CB 4.29Å; F34-K151 HydrophobicContact CD2-CG 4.38Å; F34-K151 HydrophobicContact CE1-CG 4.19Å; F34-K151 VanDerWaalsContact CE2-CA 3.43Å; F34-K151 HydrophobicContact CE2-CB 3.63Å; F34-K151 HydrophobicContact CE2-CG 3.88Å; F34-K151 HydrophobicContact CZ-CB 3.91Å; F34-K151 HydrophobicContact CZ-CD 4.26Å; F34-K151 HydrophobicContact CZ-CG 3.77Å; D124-K151 VanDerWaalsContact OD2-CD 3.23Å; D124-K151 WeakPolarHBondContact OD2-CD 3.24Å; S149-K151 PolarHBondContact O-N 3.45Å; S149-K151 PolarHBondContact OG-N 3.47Å; K151-E185 HydrophobicContact CG-CB 3.81Å; K151-E185 PolarHBondContact O-N 3.39Å; K151-V186 HydrophobicContact CD-CB 4.28Å; K151-V186 HydrophobicContact CD-CG2 3.83Å; K151-V186 VanDerWaalsContact CE-CG2 3.48Å; K151-V186 HydrophobicContact CG-CB 4.46Å; K151-V186 HydrophobicContact CG-CG2 4.37Å
152S92.8Very high96Very high15 Ų1532.2 Ų32.211%0.10515%0.154CC..THydrogen-bonded Turntrans-103.1-1.3-177.564.70000114.1S149 Y154 P184 V186 M188S149-S152 WeakPolarHBondContact CB-OG 3.35Å; S149-S152 PolarHBondContact O-N 3.12Å; S149-S152 PolarHBondContact OG-N 2.98Å; S149-S152 VanDerWaalsContact OG-N 3.13Å; S149-S152 PolarHBondContact OG-OG 3.47Å; S152-Y154 PolarHBondContact O-N 3.02Å; S152-Y154 WeakPolarHBondContact OG-CB 3.42Å; S152-Y154 PolarHBondContact OG-N 2.62Å; S152-P184 WeakPolarHBondContact O-CB 3.47Å; S152-V186 WeakPolarHBondContact CA-O 3.42Å; S152-V186 WeakPolarHBondContact CB-O 3.49Å; S152-M188 WeakPolarHBondContact OG-CG 3.35Å; S152-M188 PolarHBondContact OG-SD 2.94Å; S152-M188 VanDerWaalsContact OG-SD 3.34Å
153N92.7Very high96.2Very high35 Ų3525.1 Ų25.119%0.18712%0.116CC..THydrogen-bonded Turntrans60.815.7-170.2-51.5-26.6000113.6R28 S149 N155 F156 L181 A182R28-N153 PolarHBondContact NE-OD1 2.85Å; R28-N153 PolarHBondContact NH2-OD1 3.04Å; S149-N153 WeakPolarHBondContact O-CA 3.49Å; S149-N153 PolarHBondContact O-N 3.25Å; N153-N155 PolarHBondContact O-N 3.46Å; N153-F156 HydrophobicContact CB-CB 4.43Å; N153-F156 VanDerWaalsContact O-CB 3.28Å; N153-F156 WeakPolarHBondContact O-CB 3.49Å; N153-F156 PolarHBondContact O-N 3.08Å; N153-L181 HydrophobicContact CB-CD1 4.14Å; N153-A182 PolarHBondContact ND2-O 2.98Å
154Y95Very high96.3Very high26 Ų2624.2 Ų24.210%0.10211%0.111CC..BIsolated β-bridgetrans-65127.1178.6178.9-111.8000111.6V123 D147 I148 S149 S152 F156 M188 I193V123-Y154 HydrophobicContact CG2-CD1 3.62Å; V123-Y154 HydrophobicContact CG2-CE1 4.09Å; D147-Y154 HydrophobicContact CB-CE1 4.15Å; I148-Y154 WeakPolarHBondContact CA-O 3.35Å; S149-Y154 PolarHBondContact N-O 2.73Å; S149-Y154 PolarHBondContact O-N 2.86Å; S152-Y154 PolarHBondContact O-N 3.02Å; S152-Y154 WeakPolarHBondContact OG-CB 3.42Å; S152-Y154 PolarHBondContact OG-N 2.62Å; Y154-F156 PolarHBondContact O-N 2.88Å; Y154-M188 WeakPolarHBondContact CB-SD 3.33Å; Y154-M188 HydrophobicContact CD1-CE 4.3Å; Y154-M188 HydrophobicContact CD1-SD 3.89Å; Y154-M188 HydrophobicContact CD2-SD 4.39Å; Y154-M188 HydrophobicContact CG-CE 4.48Å; Y154-M188 HydrophobicContact CG-SD 3.67Å; Y154-I193 HydrophobicContact CD2-CD1 3.99Å; Y154-I193 HydrophobicContact CD2-CG1 4.21Å; Y154-I193 HydrophobicContact CE2-CB 4.38Å; Y154-I193 HydrophobicContact CE2-CD1 4.01Å; Y154-I193 HydrophobicContact CE2-CG1 3.93Å; Y154-I193 HydrophobicContact CE2-CG2 3.62Å
155N94.9Very high96.3Very high25 Ų2525.2 Ų25.213%0.13411%0.112CC..THydrogen-bonded Turntrans52.122.5-178-70.8-23.2000115D147 I148 N153 E157 K158 P159D147-N155 WeakPolarHBondContact O-CB 3.28Å; D147-N155 PolarHBondContact O-ND2 2.66Å; I148-N155 HydrophobicContact CG2-CB 4.11Å; N153-N155 PolarHBondContact O-N 3.46Å; N155-E157 VanDerWaalsContact C-N 3.3Å; N155-E157 PolarHBondContact O-N 3.21Å; N155-K158 HydrophobicContact CB-CD 3.92Å; N155-K158 HydrophobicContact CB-CG 4.23Å; N155-K158 PolarHBondContact O-N 2.78Å; N155-K158 VanDerWaalsContact O-N 3.15Å; N155-K158 WeakPolarHBondContact OD1-CD 3.37Å; N155-K158 WeakPolarHBondContact OD1-CE 3.34Å; N155-K158 PolarHBondContact OD1-NZ 3.23Å; N155-P159 WeakPolarHBondContact O-CD 3.47Å
156F91.9Very high96.3Very high7 Ų730.4 Ų30.43%0.03114%0.135CC..THydrogen-bonded Turntrans-60.5-36.7-165.8-165.9-120.6000113.6F25 R28 H29 A150 N153 Y154 L181F25-F156 AromaticContact CD2-CD2 3.59Å; F25-F156 HydrophobicContact CD2-CD2 3.59Å; F25-F156 AromaticContact CD2-CE2 3.28Å; F25-F156 HydrophobicContact CD2-CE2 3.28Å; F25-F156 HydrophobicContact CD2-CZ 4.24Å; F25-F156 AromaticContact CE2-CD2 3.56Å; F25-F156 HydrophobicContact CE2-CD2 3.56Å; F25-F156 AromaticContact CE2-CE2 3.67Å; F25-F156 HydrophobicContact CE2-CE2 3.67Å; F25-F156 HydrophobicContact CE2-CG 4.35Å; F25-F156 HydrophobicContact CG-CE2 4.09Å; F25-F156 VanDerWaalsContact O-CZ 3.25Å; F25-F156 WeakPolarHBondContact O-CZ 3.38Å; R28-F156 HydrophobicContact CB-CE1 4.3Å; R28-F156 HydrophobicContact CB-CE2 4.19Å; R28-F156 HydrophobicContact CB-CZ 3.49Å; R28-F156 VanDerWaalsContact CB-CZ 3.49Å; R28-F156 HydrophobicContact CG-CE1 3.88Å; R28-F156 HydrophobicContact CG-CE2 4.02Å; R28-F156 HydrophobicContact CG-CZ 3.38Å; H29-F156 HydrophobicContact CB-CE1 4.23Å; H29-F156 HydrophobicContact CB-CZ 4.44Å; H29-F156 AromaticContact CD2-CD1 3.86Å; H29-F156 AromaticContact CD2-CE1 3.52Å; H29-F156 AromaticContact CE1-CD1 3.16Å; H29-F156 WeakPolarHBondContact CE1-CD1 3.37Å; H29-F156 AromaticContact CE1-CD2 3.67Å; H29-F156 AromaticContact CE1-CE1 2.96Å; H29-F156 WeakPolarHBondContact CE1-CE1 3.31Å; H29-F156 AromaticContact CE1-CE2 3.48Å; H29-F156 VanDerWaalsContact CE1-CE2 3.48Å; H29-F156 WeakPolarHBondContact CE1-CE2 3.38Å; H29-F156 AromaticContact CE1-CG 3.5Å; H29-F156 AromaticContact CE1-CZ 3.1Å; H29-F156 WeakPolarHBondContact CE1-CZ 3.38Å; H29-F156 PolarHBondContact CE1-O 3.49Å; H29-F156 AromaticContact CG-CE1 3.37Å; H29-F156 AromaticContact CG-CZ 3.67Å; H29-F156 AromaticContact ND1-CD1 3.79Å; H29-F156 AromaticContact ND1-CE1 3.06Å; H29-F156 WeakPolarHBondContact ND1-CE1 3.3Å; H29-F156 AromaticContact ND1-CE2 3.64Å; H29-F156 AromaticContact ND1-CZ 2.94Å; H29-F156 WeakPolarHBondContact ND1-CZ 3.34Å; H29-F156 AromaticContact NE2-CD1 3.23Å; H29-F156 WeakPolarHBondContact NE2-CD1 3.23Å; H29-F156 AromaticContact NE2-CE1 3.29Å; H29-F156 VanDerWaalsContact NE2-CE1 3.29Å; H29-F156 WeakPolarHBondContact NE2-CE1 3.38Å; H29-F156 AromaticContact NE2-CG 3.84Å; H29-F156 AromaticContact NE2-CZ 3.92Å; H29-F156 PolarHBondContact NE2-O 3.41Å; A150-F156 HydrophobicContact CB-CE2 4.31Å; N153-F156 HydrophobicContact CB-CB 4.43Å; N153-F156 VanDerWaalsContact O-CB 3.28Å; N153-F156 WeakPolarHBondContact O-CB 3.49Å; N153-F156 PolarHBondContact O-N 3.08Å; Y154-F156 PolarHBondContact O-N 2.88Å; F156-L181 HydrophobicContact CD1-CD1 3.71Å; F156-L181 HydrophobicContact CD1-CD2 4.04Å; F156-L181 HydrophobicContact CE1-CD1 4.13Å; F156-L181 HydrophobicContact CE1-CD2 3.59Å
157E93.8Very high96.3Very high62 Ų6230.3 Ų30.329%0.2914%0.137SC..THydrogen-bonded Turntrans-87.8-18.8-179.169.7-162.5159.300114.4N155 F160 L161 F175N155-E157 VanDerWaalsContact C-N 3.3Å; N155-E157 PolarHBondContact O-N 3.21Å; E157-F160 PolarHBondContact O-N 3.49Å; E157-F160 VanDerWaalsContact O-N 3.11Å; E157-L161 PolarHBondContact O-N 2.92Å; E157-F175 HydrophobicContact CB-CD2 4.1Å; E157-F175 HydrophobicContact CB-CE2 4.07Å; E157-F175 HydrophobicContact CG-CD2 4.49Å
158K96.9Very high96.3Very high73 Ų7333.6 Ų33.632%0.31715%0.154SC..Hα-helixtrans-56.9-41.6-173.5-69.4-169.1176.6166.30113.4Y146 N155 F160 L161 W162Y146-K158 HydrophobicContact CD1-CB 3.98Å; Y146-K158 HydrophobicContact CD1-CD 3.86Å; Y146-K158 HydrophobicContact CD2-CB 4.04Å; Y146-K158 HydrophobicContact CE1-CB 3.91Å; Y146-K158 HydrophobicContact CE1-CD 3.79Å; Y146-K158 HydrophobicContact CE1-CG 4.43Å; Y146-K158 HydrophobicContact CE2-CB 3.95Å; Y146-K158 HydrophobicContact CG-CB 4.06Å; N155-K158 HydrophobicContact CB-CD 3.92Å; N155-K158 HydrophobicContact CB-CG 4.23Å; N155-K158 PolarHBondContact O-N 2.78Å; N155-K158 VanDerWaalsContact O-N 3.15Å; N155-K158 WeakPolarHBondContact OD1-CD 3.37Å; N155-K158 WeakPolarHBondContact OD1-CE 3.34Å; N155-K158 PolarHBondContact OD1-NZ 3.23Å; K158-F160 PolarHBondContact O-N 2.82Å; K158-L161 PolarHBondContact O-N 3.18Å; K158-W162 WeakPolarHBondContact O-CB 3.27Å; K158-W162 PolarHBondContact O-N 3.03Å
159P98.4Very high96.3Very high0 Ų036.7 Ų36.70%019%0.186CC..Hα-helixtrans-58.3-47.2175.3-26.236.1000112.7F25 I86 V117 C119 Y146 I148 N155 W162 L163F25-P159 HydrophobicContact CZ-CG 4.38Å; I86-P159 HydrophobicContact CD1-CB 3.81Å; I86-P159 HydrophobicContact CG1-CB 4.43Å; V117-P159 HydrophobicContact CB-CB 4.42Å; V117-P159 HydrophobicContact CG1-CB 4Å; V117-P159 HydrophobicContact CG1-CG 4.39Å; C119-P159 VanDerWaalsContact SG-CG 3.5Å; Y146-P159 HydrophobicContact CD2-CG 4.13Å; I148-P159 HydrophobicContact CG2-CG 4.21Å; N155-P159 WeakPolarHBondContact O-CD 3.47Å; P159-W162 PolarHBondContact O-N 3.3Å; P159-L163 WeakPolarHBondContact O-CB 3.31Å; P159-L163 VanDerWaalsContact O-CG 3.29Å; P159-L163 WeakPolarHBondContact O-CG 3.49Å; P159-L163 PolarHBondContact O-N 3.05Å
160F98.2Very high96.3Very high1 Ų138.1 Ų38.10%0.00419%0.194CC..Hα-helixtrans-67.1-41.1-179-68.1-78.9000112L12 F25 H29 L49 F51 F60 V62 I86 E157 K158 L163 A164 F175L12-F160 HydrophobicContact CD1-CD1 4.03Å; L12-F160 HydrophobicContact CD1-CE1 3.75Å; F25-F160 HydrophobicContact CE1-CD2 4.47Å; F25-F160 AromaticContact CE1-CE2 3.4Å; F25-F160 HydrophobicContact CE1-CE2 3.4Å; F25-F160 AromaticContact CE1-CZ 3.71Å; F25-F160 HydrophobicContact CE1-CZ 3.71Å; F25-F160 HydrophobicContact CZ-CD2 4.16Å; F25-F160 AromaticContact CZ-CE2 3.42Å; F25-F160 HydrophobicContact CZ-CE2 3.42Å; F25-F160 VanDerWaalsContact CZ-CE2 3.42Å; F25-F160 HydrophobicContact CZ-CZ 4.21Å; H29-F160 AromaticContact CD2-CE2 3.88Å; H29-F160 AromaticContact CE1-CD2 3.89Å; H29-F160 AromaticContact CE1-CE2 3.31Å; H29-F160 WeakPolarHBondContact CE1-CE2 3.47Å; H29-F160 AromaticContact ND1-CE2 3.68Å; H29-F160 AromaticContact NE2-CD2 3.57Å; H29-F160 AromaticContact NE2-CE2 3.42Å; H29-F160 WeakPolarHBondContact NE2-CE2 3.41Å; L49-F160 HydrophobicContact CD1-CE1 3.96Å; L49-F160 HydrophobicContact CD1-CZ 3.67Å; F51-F160 HydrophobicContact CE1-CB 3.97Å; F51-F160 HydrophobicContact CE1-CD2 4.19Å; F51-F160 HydrophobicContact CE1-CG 4.05Å; F51-F160 HydrophobicContact CE2-CB 4.11Å; F51-F160 AromaticContact CE2-CD1 3.61Å; F51-F160 HydrophobicContact CE2-CD1 3.61Å; F51-F160 HydrophobicContact CE2-CD2 4.42Å; F51-F160 HydrophobicContact CE2-CE1 4.06Å; F51-F160 AromaticContact CE2-CG 3.8Å; F51-F160 HydrophobicContact CE2-CG 3.8Å; F51-F160 HydrophobicContact CZ-CB 3.71Å; F51-F160 AromaticContact CZ-CD1 3.64Å; F51-F160 HydrophobicContact CZ-CD1 3.64Å; F51-F160 AromaticContact CZ-CD2 3.59Å; F51-F160 HydrophobicContact CZ-CD2 3.59Å; F51-F160 HydrophobicContact CZ-CE1 4.08Å; F51-F160 HydrophobicContact CZ-CE2 4.06Å; F51-F160 AromaticContact CZ-CG 3.35Å; F51-F160 HydrophobicContact CZ-CG 3.35Å; F51-F160 HydrophobicContact CZ-CZ 4.28Å; F60-F160 HydrophobicContact CB-CE1 4.38Å; F60-F160 AromaticContact CD2-CD1 3.62Å; F60-F160 HydrophobicContact CD2-CD1 3.62Å; F60-F160 HydrophobicContact CD2-CE1 4.28Å; F60-F160 HydrophobicContact CE2-CB 4.23Å; F60-F160 AromaticContact CE2-CD1 3.93Å; F60-F160 HydrophobicContact CE2-CD1 3.93Å; F60-F160 HydrophobicContact CG-CD1 4.09Å; F60-F160 HydrophobicContact CG-CE1 4.39Å; V62-F160 HydrophobicContact CG2-CE1 4.06Å; V62-F160 HydrophobicContact CG2-CZ 4.44Å; I86-F160 HydrophobicContact CD1-CZ 4.44Å; E157-F160 PolarHBondContact O-N 3.49Å; E157-F160 VanDerWaalsContact O-N 3.11Å; K158-F160 PolarHBondContact O-N 2.82Å; F160-L163 PolarHBondContact O-N 2.92Å; F160-A164 VanDerWaalsContact O-CB 3.28Å; F160-A164 WeakPolarHBondContact O-CB 3.38Å; F160-A164 PolarHBondContact O-N 3.23Å; F160-F175 HydrophobicContact CB-CE2 4.16Å; F160-F175 HydrophobicContact CB-CZ 3.94Å
161L98.1Very high96.5Very high30 Ų3042.4 Ų42.416%0.15722%0.222CC..Hα-helixtrans-63.2-45.2178.5-177.558.5000111.5E157 K158 A164 R165 L173 F175E157-L161 PolarHBondContact O-N 2.92Å; K158-L161 PolarHBondContact O-N 3.18Å; L161-A164 PolarHBondContact O-N 3Å; L161-R165 VanDerWaalsContact O-CG 3.31Å; L161-R165 WeakPolarHBondContact O-CG 3.36Å; L161-R165 PolarHBondContact O-N 3.39Å; L161-L173 HydrophobicContact CD1-CD2 3.79Å; L161-F175 HydrophobicContact CB-CD2 4.23Å; L161-F175 HydrophobicContact CB-CE2 3.72Å; L161-F175 HydrophobicContact CB-CZ 3.93Å; L161-F175 HydrophobicContact CD1-CD1 4.04Å; L161-F175 HydrophobicContact CD1-CD2 4.36Å; L161-F175 HydrophobicContact CD1-CE1 4.03Å; L161-F175 HydrophobicContact CD1-CE2 4.35Å; L161-F175 HydrophobicContact CD1-CG 4.21Å; L161-F175 HydrophobicContact CD1-CZ 4.19Å
162W98.5Very high96.7Very high43 Ų4344.3 Ų44.316%0.16324%0.235CC..Hα-helixtrans-63.6-43.6177.8-174.297.3000111.8P115 V117 Q144 Y146 K158 P159 R165 K166P115-W162 HydrophobicContact CB-CH2 4.28Å; P115-W162 HydrophobicContact CB-CZ3 3.81Å; V117-W162 HydrophobicContact CG2-CD2 4.27Å; V117-W162 HydrophobicContact CG2-CE3 3.47Å; V117-W162 VanDerWaalsContact CG2-CE3 3.47Å; V117-W162 HydrophobicContact CG2-CZ3 3.91Å; Q144-W162 HydrophobicContact CB-CD2 3.68Å; Q144-W162 VanDerWaalsContact CB-CE2 3.44Å; Q144-W162 HydrophobicContact CB-CE3 4.04Å; Q144-W162 HydrophobicContact CB-CG 4.18Å; Q144-W162 HydrophobicContact CB-CH2 3.98Å; Q144-W162 HydrophobicContact CB-CZ2 3.61Å; Q144-W162 HydrophobicContact CB-CZ3 4.17Å; Q144-W162 HydrophobicContact CG-CD2 3.92Å; Q144-W162 HydrophobicContact CG-CG 3.85Å; Q144-W162 HydrophobicContact CG-CZ2 4.49Å; Q144-W162 VanDerWaalsContact OE1-NE1 3.11Å; Y146-W162 HydrophobicContact CE2-CB 4.07Å; K158-W162 WeakPolarHBondContact O-CB 3.27Å; K158-W162 PolarHBondContact O-N 3.03Å; P159-W162 PolarHBondContact O-N 3.3Å; W162-R165 PolarHBondContact O-N 2.95Å; W162-K166 HydrophobicContact CD2-CG 4.05Å; W162-K166 HydrophobicContact CE3-CG 3.98Å; W162-K166 HydrophobicContact CH2-CD 4.37Å; W162-K166 HydrophobicContact CH2-CG 3.82Å; W162-K166 HydrophobicContact CZ2-CD 4.18Å; W162-K166 HydrophobicContact CZ2-CG 3.86Å; W162-K166 HydrophobicContact CZ3-CG 3.88Å; W162-K166 WeakPolarHBondContact O-CG 2.97Å; W162-K166 PolarHBondContact O-N 3.02Å
163L98.6Very high96.9Very high0 Ų043.6 Ų43.60%023%0.23CC..Hα-helixtrans-61.4-45175.5-73.3176.5000111.6L12 F60 C84 I86 P115 V117 P159 F160 R165 K166 L167L12-L163 HydrophobicContact CD1-CD1 3.54Å; L12-L163 HydrophobicContact CG-CD1 4.36Å; F60-L163 HydrophobicContact CE1-CB 4.22Å; F60-L163 HydrophobicContact CZ-CB 4.05Å; C84-L163 HydrophobicContact CB-CD1 4.17Å; C84-L163 HydrophobicContact CB-CD2 3.72Å; C84-L163 HydrophobicContact CB-CG 4.39Å; I86-L163 HydrophobicContact CD1-CD1 4.33Å; I86-L163 HydrophobicContact CG1-CD1 3.96Å; P115-L163 HydrophobicContact CB-CD2 3.9Å; P115-L163 HydrophobicContact CG-CD2 4.35Å; P115-L163 WeakPolarHBondContact O-CD2 3.44Å; V117-L163 HydrophobicContact CG2-CD1 4.25Å; V117-L163 HydrophobicContact CG2-CD2 3.82Å; V117-L163 HydrophobicContact CG2-CG 3.71Å; P159-L163 WeakPolarHBondContact O-CB 3.31Å; P159-L163 VanDerWaalsContact O-CG 3.29Å; P159-L163 WeakPolarHBondContact O-CG 3.49Å; P159-L163 PolarHBondContact O-N 3.05Å; F160-L163 PolarHBondContact O-N 2.92Å; L163-R165 PolarHBondContact O-N 2.72Å; L163-K166 PolarHBondContact O-N 3.1Å; L163-L167 WeakPolarHBondContact O-CB 3.49Å; L163-L167 WeakPolarHBondContact O-CD1 3.32Å; L163-L167 VanDerWaalsContact O-CG 3.25Å; L163-L167 WeakPolarHBondContact O-CG 3.25Å; L163-L167 PolarHBondContact O-N 3.26Å
164A98.3Very high97.1Very high0 Ų047.3 Ų47.30%025%0.246CC..Hα-helixtrans-59.1-46.5177.900000111.9I58 F60 F160 L161 K166 L167 L168 L173I58-A164 HydrophobicContact CD1-CB 3.34Å; F60-A164 HydrophobicContact CE2-CB 4.44Å; F60-A164 HydrophobicContact CZ-CB 4.18Å; F160-A164 VanDerWaalsContact O-CB 3.28Å; F160-A164 WeakPolarHBondContact O-CB 3.38Å; F160-A164 PolarHBondContact O-N 3.23Å; L161-A164 PolarHBondContact O-N 3Å; A164-K166 VanDerWaalsContact C-N 3.32Å; A164-K166 PolarHBondContact O-N 3.19Å; A164-L167 PolarHBondContact O-N 3.25Å; A164-L168 WeakPolarHBondContact O-CB 3.35Å; A164-L168 WeakPolarHBondContact O-CG 3.35Å; A164-L168 PolarHBondContact O-N 2.77Å; A164-L173 HydrophobicContact CB-CD2 3.74Å
165R98.5Very high97.2Very high80 Ų8047.6 Ų47.630%0.30225%0.248SC..Hα-helixtrans-57.4-43.9175.2-72.6171.9173.6174.8-4.5111.9L161 W162 L163 G169 D170 P171 L173L161-R165 VanDerWaalsContact O-CG 3.31Å; L161-R165 WeakPolarHBondContact O-CG 3.36Å; L161-R165 PolarHBondContact O-N 3.39Å; W162-R165 PolarHBondContact O-N 2.95Å; L163-R165 PolarHBondContact O-N 2.72Å; R165-G169 WeakPolarHBondContact O-CA 3.24Å; R165-G169 PolarHBondContact O-N 2.89Å; R165-D170 WeakPolarHBondContact CA-O 3.31Å; R165-D170 WeakPolarHBondContact CG-O 3.46Å; R165-D170 PolarHBondContact O-N 3.01Å; R165-P171 PolarHBondContact NE-O 2.93Å; R165-L173 HydrophobicContact CG-CB 3.97Å; R165-L173 HydrophobicContact CG-CD2 4.44Å; R165-L173 VanDerWaalsContact CZ-O 3.27Å; R165-L173 PolarHBondContact NE-O 2.84Å; R165-L173 PolarHBondContact NH2-O 2.85Å
166K98.2Very high97.2Very high124 Ų12451 Ų5154%0.53927%0.27SS..Hα-helixtrans-68.3-43.7178.7-72.2-67.8-176.7-179.90112.8P115 W162 L163 A164P115-K166 HydrophobicContact CB-CB 3.87Å; P115-K166 HydrophobicContact CB-CG 4.34Å; P115-K166 HydrophobicContact CG-CB 4.17Å; W162-K166 HydrophobicContact CD2-CG 4.05Å; W162-K166 HydrophobicContact CE3-CG 3.98Å; W162-K166 HydrophobicContact CH2-CD 4.37Å; W162-K166 HydrophobicContact CH2-CG 3.82Å; W162-K166 HydrophobicContact CZ2-CD 4.18Å; W162-K166 HydrophobicContact CZ2-CG 3.86Å; W162-K166 HydrophobicContact CZ3-CG 3.88Å; W162-K166 WeakPolarHBondContact O-CG 2.97Å; W162-K166 PolarHBondContact O-N 3.02Å; L163-K166 PolarHBondContact O-N 3.1Å; A164-K166 VanDerWaalsContact C-N 3.32Å; A164-K166 PolarHBondContact O-N 3.19Å
167L97.9Very high96.9Very high43 Ų4353 Ų5323%0.22529%0.287CS..Hα-helixtrans-69.8-35.1-178.2-72.7165.7000113F10 F60 Q83 C84 P115 L163 A164F10-L167 HydrophobicContact CB-CD1 4.03Å; F10-L167 HydrophobicContact CD1-CB 4.23Å; F10-L167 HydrophobicContact CD1-CD1 3.87Å; F10-L167 HydrophobicContact CD1-CD2 4.02Å; F10-L167 HydrophobicContact CD1-CG 4.28Å; F10-L167 HydrophobicContact CD2-CD1 4.17Å; F10-L167 HydrophobicContact CE1-CB 3.92Å; F10-L167 HydrophobicContact CE1-CD1 4.38Å; F10-L167 HydrophobicContact CE1-CD2 4.31Å; F10-L167 HydrophobicContact CE1-CG 4.45Å; F10-L167 HydrophobicContact CG-CD1 3.75Å; F10-L167 HydrophobicContact CZ-CB 4.1Å; F60-L167 HydrophobicContact CE1-CD1 3.6Å; F60-L167 HydrophobicContact CZ-CD1 4.18Å; Q83-L167 HydrophobicContact CB-CD2 4.33Å; Q83-L167 WeakPolarHBondContact O-CD2 3.43Å; C84-L167 HydrophobicContact CB-CD1 4.02Å; C84-L167 HydrophobicContact CB-CD2 4.45Å; P115-L167 HydrophobicContact CG-CD2 3.95Å; P115-L167 HydrophobicContact CG-CG 4.13Å; L163-L167 WeakPolarHBondContact O-CB 3.49Å; L163-L167 WeakPolarHBondContact O-CD1 3.32Å; L163-L167 VanDerWaalsContact O-CG 3.25Å; L163-L167 WeakPolarHBondContact O-CG 3.25Å; L163-L167 PolarHBondContact O-N 3.26Å; A164-L167 PolarHBondContact O-N 3.25Å
168L97Very high96Very high69 Ų6956.9 Ų56.936%0.36131%0.307SS..Hα-helixtrans-92.5-9.9179.8-66.4173.8000113.5F10 I58 A164 D170 L173F10-L168 HydrophobicContact CE2-CD2 4.32Å; F10-L168 HydrophobicContact CZ-CD2 3.87Å; F10-L168 HydrophobicContact CZ-CG 4.4Å; I58-L168 HydrophobicContact CG2-CD1 3.88Å; A164-L168 WeakPolarHBondContact O-CB 3.35Å; A164-L168 WeakPolarHBondContact O-CG 3.35Å; A164-L168 PolarHBondContact O-N 2.77Å; L168-D170 PolarHBondContact O-N 3.26Å; L168-L173 HydrophobicContact CD1-CD1 3.29Å
169G97.6Very high94.8Very high65 Ų6555 Ų5567%0.6730%0.302SS*.THydrogen-bonded Turntrans66.518.2-176.700000114.2R165R165-G169 WeakPolarHBondContact O-CA 3.24Å; R165-G169 PolarHBondContact O-N 2.89Å
170D97.9Very high93.7Very high30 Ų3059.6 Ų59.616%0.1634%0.34CS..  trans-112.8101.2179.7-173.6-5000110.4R55 R165 L168 N172 L173R55-D170 IonicContact CZ-OD2 3.02Å; R55-D170 VanDerWaalsContact CZ-OD2 3.26Å; R55-D170 IonicContact NE-OD2 2.73Å; R55-D170 PolarHBondContact NE-OD2 3.36Å; R55-D170 IonicContact NH2-OD1 3.46Å; R55-D170 IonicContact NH2-OD2 3.53Å; R55-D170 PolarHBondContact NH2-OD2 3.17Å; R165-D170 WeakPolarHBondContact CA-O 3.31Å; R165-D170 WeakPolarHBondContact CG-O 3.46Å; R165-D170 PolarHBondContact O-N 3.01Å; L168-D170 PolarHBondContact O-N 3.26Å; D170-N172 PolarHBondContact O-N 3.27Å; D170-N172 WeakPolarHBondContact OD1-CA 3.3Å; D170-N172 WeakPolarHBondContact OD1-CB 3.3Å; D170-N172 PolarHBondContact OD1-N 3.05Å; D170-L173 HydrophobicContact CB-CB 4.27Å; D170-L173 WeakPolarHBondContact O-CB 3.44Å; D170-L173 PolarHBondContact O-N 3.02Å; D170-L173 PolarHBondContact OD1-N 3.29Å
171P97.4Very high92.8Very high93 Ų9362 Ų6260%0.60435%0.353SS*.THydrogen-bonded Turntrans-67.5-19.1177.128.1-34.2000113.3R165 L173R165-P171 PolarHBondContact NE-O 2.93Å; P171-L173 VanDerWaalsContact C-N 3.3Å
172N97.8Very high91.9Very high110 Ų11062.3 Ų62.359%0.58836%0.36SS*.THydrogen-bonded Turntrans-91.58.8179.5-56-51000112.5N54 D170N54-N172 PolarHBondContact ND2-O 3.14Å; D170-N172 PolarHBondContact O-N 3.27Å; D170-N172 WeakPolarHBondContact OD1-CA 3.3Å; D170-N172 WeakPolarHBondContact OD1-CB 3.3Å; D170-N172 PolarHBondContact OD1-N 3.05Å
173L97.9Very high91.1Very high0 Ų065.4 Ų65.40%039%0.386CS..  trans-67.3134.6174.2-173.4134.8000110.1T53 N54 R55 L161 A164 R165 L168 D170 P171T53-L173 HydrophobicContact CG2-CD1 4.18Å; T53-L173 HydrophobicContact CG2-CD2 3.89Å; T53-L173 HydrophobicContact CG2-CG 4.19Å; N54-L173 WeakPolarHBondContact OD1-CA 3.48Å; R55-L173 HydrophobicContact CB-CD1 4.39Å; R55-L173 HydrophobicContact CG-CD1 4.14Å; L161-L173 HydrophobicContact CD1-CD2 3.79Å; A164-L173 HydrophobicContact CB-CD2 3.74Å; R165-L173 HydrophobicContact CG-CB 3.97Å; R165-L173 HydrophobicContact CG-CD2 4.44Å; R165-L173 VanDerWaalsContact CZ-O 3.27Å; R165-L173 PolarHBondContact NE-O 2.84Å; R165-L173 PolarHBondContact NH2-O 2.85Å; L168-L173 HydrophobicContact CD1-CD1 3.29Å; D170-L173 HydrophobicContact CB-CB 4.27Å; D170-L173 WeakPolarHBondContact O-CB 3.44Å; D170-L173 PolarHBondContact O-N 3.02Å; D170-L173 PolarHBondContact OD1-N 3.29Å; P171-L173 VanDerWaalsContact C-N 3.3Å
174E97.1Very high90.4Very high113 Ų11367.8 Ų67.853%0.52840%0.401SS..  trans-135.9147.8-179.1-67.7-177.5168.600109.9T53 N54T53-E174 CarbonylContact C-O 3.6Å; T53-E174 WeakPolarHBondContact CA-O 3.39Å; T53-E174 WeakPolarHBondContact CB-O 3.42Å; N54-E174 PolarHBondContact N-O 3.24Å; N54-E174 PolarHBondContact OD1-N 2.96Å
175F95.8Very high89.7Confident32 Ų3271.9 Ų71.914%0.1442%0.42CS..EExtended strand (participates in β ladder)trans-78.5127.1168.1-64.6-26.4000109.7F51 H52 T53 I58 E157 F160 L161F51-F175 HydrophobicContact CB-CD1 4.08Å; F51-F175 HydrophobicContact CB-CE1 3.63Å; F51-F175 HydrophobicContact CB-CZ 4Å; F51-F175 HydrophobicContact CD1-CD1 4.45Å; F51-F175 HydrophobicContact CD1-CD2 4.1Å; F51-F175 AromaticContact CD1-CE1 3.98Å; F51-F175 HydrophobicContact CD1-CE1 3.98Å; F51-F175 AromaticContact CD1-CE2 3.56Å; F51-F175 HydrophobicContact CD1-CE2 3.56Å; F51-F175 AromaticContact CD1-CZ 3.49Å; F51-F175 HydrophobicContact CD1-CZ 3.49Å; F51-F175 VanDerWaalsContact CD1-CZ 3.49Å; F51-F175 AromaticContact CE1-CE2 3.96Å; F51-F175 HydrophobicContact CE1-CE2 3.96Å; F51-F175 HydrophobicContact CE1-CZ 4.12Å; F51-F175 AromaticContact CG-CE1 3.99Å; F51-F175 HydrophobicContact CG-CE1 3.99Å; F51-F175 HydrophobicContact CG-CE2 4.34Å; F51-F175 AromaticContact CG-CZ 3.81Å; F51-F175 HydrophobicContact CG-CZ 3.81Å; H52-F175 CarbonylContact O-C 3.56Å; H52-F175 VanDerWaalsContact O-CA 3.3Å; H52-F175 WeakPolarHBondContact O-CA 3.48Å; T53-F175 HydrophobicContact CG2-CD1 3.99Å; T53-F175 HydrophobicContact CG2-CE1 4.11Å; I58-F175 HydrophobicContact CD1-CE1 4.39Å; E157-F175 HydrophobicContact CB-CD2 4.1Å; E157-F175 HydrophobicContact CB-CE2 4.07Å; E157-F175 HydrophobicContact CG-CD2 4.49Å; F160-F175 HydrophobicContact CB-CE2 4.16Å; F160-F175 HydrophobicContact CB-CZ 3.94Å; L161-F175 HydrophobicContact CB-CD2 4.23Å; L161-F175 HydrophobicContact CB-CE2 3.72Å; L161-F175 HydrophobicContact CB-CZ 3.93Å; L161-F175 HydrophobicContact CD1-CD1 4.04Å; L161-F175 HydrophobicContact CD1-CD2 4.36Å; L161-F175 HydrophobicContact CD1-CE1 4.03Å; L161-F175 HydrophobicContact CD1-CE2 4.35Å; L161-F175 HydrophobicContact CD1-CG 4.21Å; L161-F175 HydrophobicContact CD1-CZ 4.19Å
176V94.9Very high89.2Confident97 Ų9770.4 Ų70.459%0.58842%0.42SS*.EExtended strand (participates in β ladder)trans-98.4-10-177.6-63.80000112.9H52 N54H52-V176 HydrophobicContact CB-CG2 3.92Å; H52-V176 PolarHBondContact O-N 2.97Å; N54-V176 HydrophobicContact CB-CG1 3.89Å
177A86.9Confident88.7Confident48 Ų4872.7 Ų72.740%0.39743%0.433SS..EExtended strand (participates in β ladder)trans-143.313417200000108.9H52H52-A177 HydrophobicContact CB-CB 4.19Å
178M74.5Confident88.4Confident143 Ų14371.6 Ų71.670%0.70443%0.427SS*.  trans-72.4145.3170-69.8-175.7173.400109.5
179P71.2Confident88.1Confident33 Ų3372.3 Ų72.321%0.21443%0.431CS..  trans-53.2148.1164.7-19.930.8000109.9F51 L181F51-P179 HydrophobicContact CE1-CG 4.26Å; P179-L181 HydrophobicContact CB-CD2 4.06Å; P179-L181 HydrophobicContact CB-CG 4.29Å; P179-L181 PolarHBondContact O-N 3.28Å
180A76.4Confident87.8Confident97 Ų9773.9 Ų73.980%0.80243%0.429SS*.  trans-7079.5174.700000110.1G32G32-A180 WeakPolarHBondContact CA-O 3.4Å
181L78.5Confident87.6Confident53 Ų5375.6 Ų75.628%0.27745%0.447SS..PPolyproline II helixtrans-81.6135.7178.3-57.3178.7000109.7R28 N153 F156 P179R28-L181 WeakPolarHBondContact O-CD2 3.3Å; N153-L181 HydrophobicContact CB-CD1 4.14Å; F156-L181 HydrophobicContact CD1-CD1 3.71Å; F156-L181 HydrophobicContact CD1-CD2 4.04Å; F156-L181 HydrophobicContact CE1-CD1 4.13Å; F156-L181 HydrophobicContact CE1-CD2 3.59Å; P179-L181 HydrophobicContact CB-CD2 4.06Å; P179-L181 HydrophobicContact CB-CG 4.29Å; P179-L181 PolarHBondContact O-N 3.28Å
182A78.9Confident87.4Confident36 Ų3672.2 Ų72.230%0.29842%0.424SS..PPolyproline II helixtrans-64.6157.5166.200000109.4R28 G32 N153R28-A182 PolarHBondContact NH2-O 2.78Å; G32-A182 WeakPolarHBondContact O-CA 3.45Å; G32-A182 WeakPolarHBondContact O-CB 3.37Å; G32-A182 PolarHBondContact O-N 3.5Å; N153-A182 PolarHBondContact ND2-O 2.98Å
183P82.4Confident87.1Confident108 Ų10868.9 Ų68.970%0.70141%0.406SS*.PPolyproline II helixtrans-50.4146.1175.3-27.335.2000111.8R28 E185R28-P183 PolarHBondContact NH2-O 2.83Å; P183-E185 PolarHBondContact O-N 2.93Å
184P82.8Confident86.9Confident50 Ų5071.5 Ų71.533%0.32543%0.427SS..PPolyproline II helixtrans-60.2138.7178.326.7-34.6000110.7S152 V186 Q187S152-P184 WeakPolarHBondContact O-CB 3.47Å; P184-V186 PolarHBondContact O-N 2.86Å; P184-Q187 HydrophobicContact CG-CG 4.47Å
185E84.8Confident86.8Confident85 Ų8571.5 Ų71.540%0.39743%0.427SS..SBendtrans-69.8-23.1175.9-74.8-78.1157.400111.7F34 K36 K151 P183F34-E185 HydrophobicContact CB-CG 3.67Å; F34-E185 HydrophobicContact CD1-CG 3.75Å; F34-E185 HydrophobicContact CG-CG 3.83Å; K36-E185 WeakPolarHBondContact CE-OE1 3.38Å; K36-E185 WeakPolarHBondContact CE-OE2 3.48Å; K36-E185 IonicContact NZ-OE1 3.49Å; K36-E185 PolarHBondContact NZ-OE1 3.31Å; K36-E185 IonicContact NZ-OE2 3.86Å; K36-E185 PolarHBondContact NZ-OE2 3.29Å; K151-E185 HydrophobicContact CG-CB 3.81Å; K151-E185 PolarHBondContact O-N 3.39Å; P183-E185 PolarHBondContact O-N 2.93Å
186V87.3Confident86.7Confident50 Ų5071 Ų7130%0.30342%0.424SS..SBendtrans-142.4135.2175.4172.80000108.3K151 S152 P184K151-V186 HydrophobicContact CD-CB 4.28Å; K151-V186 HydrophobicContact CD-CG2 3.83Å; K151-V186 VanDerWaalsContact CE-CG2 3.48Å; K151-V186 HydrophobicContact CG-CB 4.46Å; K151-V186 HydrophobicContact CG-CG2 4.37Å; S152-V186 WeakPolarHBondContact CA-O 3.42Å; S152-V186 WeakPolarHBondContact CB-O 3.49Å; P184-V186 PolarHBondContact O-N 2.86Å
187Q88.7Confident86.6Confident171 Ų17170.8 Ų70.880%0.79942%0.417SS*.PPolyproline II helixtrans-84.3128167.2-67.2-179.3-4.100109.2P184P184-Q187 HydrophobicContact CG-CG 4.47Å
188M89.8Confident87Confident21 Ų2175.1 Ų75.110%0.10343%0.427CS..PPolyproline II helixtrans-73.9137.3170.3-76-172.667.900109.8V123 D124 S152 Y154 P190 M192 I193 Y196V123-M188 HydrophobicContact CB-CE 4.19Å; V123-M188 HydrophobicContact CG2-CE 3.57Å; V123-M188 HydrophobicContact CG2-SD 3.76Å; D124-M188 HydrophobicContact CB-CG 3.99Å; D124-M188 HydrophobicContact CB-SD 4.35Å; S152-M188 WeakPolarHBondContact OG-CG 3.35Å; S152-M188 PolarHBondContact OG-SD 2.94Å; S152-M188 VanDerWaalsContact OG-SD 3.34Å; Y154-M188 WeakPolarHBondContact CB-SD 3.33Å; Y154-M188 HydrophobicContact CD1-CE 4.3Å; Y154-M188 HydrophobicContact CD1-SD 3.89Å; Y154-M188 HydrophobicContact CD2-SD 4.39Å; Y154-M188 HydrophobicContact CG-CE 4.48Å; Y154-M188 HydrophobicContact CG-SD 3.67Å; M188-P190 WeakPolarHBondContact O-CD 3.44Å; M188-M192 HydrophobicContact CE-SD 4.26Å; M188-I193 HydrophobicContact CB-CD1 3.87Å; M188-I193 HydrophobicContact CB-CG1 4.02Å; M188-I193 HydrophobicContact CE-CG1 4.04Å; M188-Y196 HydrophobicContact CE-CD2 4.22Å; M188-Y196 HydrophobicContact CE-CE2 4.06Å
189D91.5Very high88Confident83 Ų8371.3 Ų71.344%0.44441%0.41SS..PPolyproline II helixtrans-62.9122.7175.3-177.8-13.6000109.7A191 M192 I193D189-A191 PolarHBondContact O-N 2.96Å; D189-A191 WeakPolarHBondContact OD1-CB 3.01Å; D189-A191 PolarHBondContact OD1-N 2.9Å; D189-M192 HydrophobicContact CB-CB 3.99Å; D189-M192 WeakPolarHBondContact O-CA 3.15Å; D189-M192 WeakPolarHBondContact O-CB 3.23Å; D189-M192 PolarHBondContact O-N 3.4Å; D189-I193 PolarHBondContact O-N 3.16Å
190P92.2Very high89Confident98 Ų9871.7 Ų71.764%0.63641%0.41SS*.Hα-helixtrans-54.1-33.3177.5-27.335.7000113.9M188 M192 I193 A194M188-P190 WeakPolarHBondContact O-CD 3.44Å; P190-M192 VanDerWaalsContact C-N 3.35Å; P190-I193 PolarHBondContact O-N 3.11Å; P190-A194 PolarHBondContact O-N 3.2Å
191A93.5Very high89.8Confident66 Ų6670.8 Ų70.855%0.54539%0.391SS..Hα-helixtrans-66.8-38.8176.700000111.6D189 A194 E195D189-A191 PolarHBondContact O-N 2.96Å; D189-A191 WeakPolarHBondContact OD1-CB 3.01Å; D189-A191 PolarHBondContact OD1-N 2.9Å; A191-A194 PolarHBondContact O-N 3.41Å; A191-E195 WeakPolarHBondContact O-CB 3.41Å; A191-E195 PolarHBondContact O-N 3.01Å
192M91.5Very high90.6Very high23 Ų2372 Ų7211%0.11340%0.398CS..Hα-helixtrans-67.9-39.7175.7-176.1-167.7-60.800111.6K126 M188 D189 P190 E195 Y196K126-M192 HydrophobicContact CG-CE 3.77Å; M188-M192 HydrophobicContact CE-SD 4.26Å; D189-M192 HydrophobicContact CB-CB 3.99Å; D189-M192 WeakPolarHBondContact O-CA 3.15Å; D189-M192 WeakPolarHBondContact O-CB 3.23Å; D189-M192 PolarHBondContact O-N 3.4Å; P190-M192 VanDerWaalsContact C-N 3.35Å; M192-E195 PolarHBondContact O-N 3Å; M192-Y196 HydrophobicContact CG-CD2 4.04Å; M192-Y196 HydrophobicContact CG-CE1 4.21Å; M192-Y196 HydrophobicContact CG-CE2 3.43Å; M192-Y196 VanDerWaalsContact CG-CE2 3.43Å; M192-Y196 WeakPolarHBondContact O-CD2 3.35Å; M192-Y196 PolarHBondContact O-N 3.31Å; M192-Y196 HydrophobicContact SD-CE2 3.66Å
193I92.8Very high91.2Very high39 Ų3971.1 Ų71.120%0.239%0.391CS..Hα-helixtrans-58.5-51.3174-69.5172.1000109.9Y154 M188 D189 P190 E195 Y196 E197Y154-I193 HydrophobicContact CD2-CD1 3.99Å; Y154-I193 HydrophobicContact CD2-CG1 4.21Å; Y154-I193 HydrophobicContact CE2-CB 4.38Å; Y154-I193 HydrophobicContact CE2-CD1 4.01Å; Y154-I193 HydrophobicContact CE2-CG1 3.93Å; Y154-I193 HydrophobicContact CE2-CG2 3.62Å; M188-I193 HydrophobicContact CB-CD1 3.87Å; M188-I193 HydrophobicContact CB-CG1 4.02Å; M188-I193 HydrophobicContact CE-CG1 4.04Å; D189-I193 PolarHBondContact O-N 3.16Å; P190-I193 PolarHBondContact O-N 3.11Å; I193-E195 VanDerWaalsContact C-N 3.3Å; I193-E195 PolarHBondContact O-N 3.17Å; I193-Y196 PolarHBondContact O-N 3.08Å; I193-E197 HydrophobicContact CG2-CG 4.45Å; I193-E197 WeakPolarHBondContact O-CG 3.46Å; I193-E197 PolarHBondContact O-N 2.73Å
194A94.2Very high91.5Very high55 Ų5568.8 Ų68.846%0.45538%0.38SS..Hα-helixtrans-61.5-38.1-179.900000112.4P190 A191 K198P190-A194 PolarHBondContact O-N 3.2Å; A191-A194 PolarHBondContact O-N 3.41Å; A194-K198 VanDerWaalsContact O-CB 3.31Å; A194-K198 WeakPolarHBondContact O-CB 3.38Å; A194-K198 PolarHBondContact O-N 3.3Å
195E94.5Very high91.9Very high113 Ų11373.4 Ų73.453%0.52840%0.395SS..Hα-helixtrans-62.8-47.7174.3-174.3177.8-166.700111.5A191 M192 I193 E197 K198 D199A191-E195 WeakPolarHBondContact O-CB 3.41Å; A191-E195 PolarHBondContact O-N 3.01Å; M192-E195 PolarHBondContact O-N 3Å; I193-E195 VanDerWaalsContact C-N 3.3Å; I193-E195 PolarHBondContact O-N 3.17Å; E195-E197 PolarHBondContact O-N 2.95Å; E195-K198 PolarHBondContact O-N 3.37Å; E195-D199 WeakPolarHBondContact O-CB 3.18Å; E195-D199 PolarHBondContact O-N 2.91Å
196Y93.1Very high92.1Very high21 Ų2171.6 Ų71.68%0.08240%0.395CS..Hα-helixtrans-64.1-40.9178.3-67.1-23.8000113.1V123 M188 M192 I193 D199 L200V123-Y196 HydrophobicContact CB-CD2 4.27Å; V123-Y196 HydrophobicContact CB-CE2 3.96Å; V123-Y196 WeakPolarHBondContact O-CE2 3.43Å; M188-Y196 HydrophobicContact CE-CD2 4.22Å; M188-Y196 HydrophobicContact CE-CE2 4.06Å; M192-Y196 HydrophobicContact CG-CD2 4.04Å; M192-Y196 HydrophobicContact CG-CE1 4.21Å; M192-Y196 HydrophobicContact CG-CE2 3.43Å; M192-Y196 VanDerWaalsContact CG-CE2 3.43Å; M192-Y196 WeakPolarHBondContact O-CD2 3.35Å; M192-Y196 PolarHBondContact O-N 3.31Å; M192-Y196 HydrophobicContact SD-CE2 3.66Å; I193-Y196 PolarHBondContact O-N 3.08Å; Y196-D199 PolarHBondContact O-N 3.46Å; Y196-L200 WeakPolarHBondContact O-CB 3.41Å; Y196-L200 VanDerWaalsContact O-CG 3.32Å; Y196-L200 WeakPolarHBondContact O-CG 3.28Å; Y196-L200 PolarHBondContact O-N 2.8Å
197E93.6Very high92.1Very high93 Ų9376.5 Ų76.544%0.43542%0.42SS..Hα-helixtrans-63.2-43.4176-71.3-176.2154.600111.5I193 E195 L200 D201I193-E197 HydrophobicContact CG2-CG 4.45Å; I193-E197 WeakPolarHBondContact O-CG 3.46Å; I193-E197 PolarHBondContact O-N 2.73Å; E195-E197 PolarHBondContact O-N 2.95Å; E197-L200 PolarHBondContact O-N 3.5Å; E197-D201 PolarHBondContact O-N 3.34Å
198K95.5Very high91.8Very high139 Ų13971.5 Ų71.560%0.60440%0.398SS*.Hα-helixtrans-61.7-44.3174.7-179-178177.4-175.90111.9A194 E195 L200 D201 N202A194-K198 VanDerWaalsContact O-CB 3.31Å; A194-K198 WeakPolarHBondContact O-CB 3.38Å; A194-K198 PolarHBondContact O-N 3.3Å; E195-K198 PolarHBondContact O-N 3.37Å; K198-L200 VanDerWaalsContact C-N 3.33Å; K198-L200 PolarHBondContact O-N 2.83Å; K198-D201 PolarHBondContact O-N 3.27Å; K198-N202 WeakPolarHBondContact O-CB 3.35Å; K198-N202 PolarHBondContact O-N 3.48Å; K198-N202 PolarHBondContact O-ND2 3.3Å; K198-N202 VanDerWaalsContact O-ND2 3.16Å
199D94.2Very high91.2Very high64 Ų6474 Ų7434%0.34242%0.416SS..Hα-helixtrans-63.8-38.3179-87.33.5000112.1A132 E195 Y196 A203A132-D199 HydrophobicContact CB-CB 3.83Å; A132-D199 WeakPolarHBondContact CB-O 3.49Å; E195-D199 WeakPolarHBondContact O-CB 3.18Å; E195-D199 PolarHBondContact O-N 2.91Å; Y196-D199 PolarHBondContact O-N 3.46Å; D199-A203 VanDerWaalsContact O-CB 3.3Å; D199-A203 WeakPolarHBondContact O-CB 3.05Å; D199-A203 PolarHBondContact O-N 2.68Å
200L92.9Very high90.3Very high40 Ų4077 Ų7721%0.20943%0.432CS..Hα-helixtrans-67.7-42.2174.8-72.9171.6000112.3A132 Y145 D147 Y196 E197 K198 A203 A204A132-L200 HydrophobicContact CB-CD2 3.78Å; A132-L200 HydrophobicContact CB-CG 4.19Å; Y145-L200 HydrophobicContact CD1-CD2 3.79Å; Y145-L200 HydrophobicContact CE1-CD1 4.12Å; Y145-L200 HydrophobicContact CE1-CD2 3.44Å; Y145-L200 VanDerWaalsContact CE1-CD2 3.44Å; Y145-L200 HydrophobicContact CE1-CG 4.46Å; D147-L200 HydrophobicContact CB-CD1 4.23Å; Y196-L200 WeakPolarHBondContact O-CB 3.41Å; Y196-L200 VanDerWaalsContact O-CG 3.32Å; Y196-L200 WeakPolarHBondContact O-CG 3.28Å; Y196-L200 PolarHBondContact O-N 2.8Å; E197-L200 PolarHBondContact O-N 3.5Å; K198-L200 VanDerWaalsContact C-N 3.33Å; K198-L200 PolarHBondContact O-N 2.83Å; L200-A203 PolarHBondContact O-N 2.93Å; L200-A204 WeakPolarHBondContact O-CB 3.32Å; L200-A204 PolarHBondContact O-N 3.26Å
201D93.6Very high88.9Confident78 Ų7877.4 Ų77.442%0.41743%0.429SS..Hα-helixtrans-63.3-42.1175.8-17646.8000111.8E197 K198 A204 K205E197-D201 PolarHBondContact O-N 3.34Å; K198-D201 PolarHBondContact O-N 3.27Å; D201-A204 PolarHBondContact O-N 3.24Å; D201-K205 VanDerWaalsContact CG-NZ 3.28Å; D201-K205 WeakPolarHBondContact O-CG 3.25Å; D201-K205 PolarHBondContact O-N 3.14Å; D201-K205 VanDerWaalsContact OD1-CE 3.23Å; D201-K205 WeakPolarHBondContact OD1-CE 3.4Å; D201-K205 IonicContact OD1-NZ 3.3Å; D201-K205 PolarHBondContact OD1-NZ 3.09Å; D201-K205 IonicContact OD2-NZ 3.93Å; D201-K205 PolarHBondContact OD2-NZ 3.47Å
202N94.2Very high86.9Confident79 Ų7981.7 Ų81.742%0.42244%0.443SS..Hα-helixtrans-62.4-44.6173.3-69.5-29.1000112.1K198 A204 K205 A206K198-N202 WeakPolarHBondContact O-CB 3.35Å; K198-N202 PolarHBondContact O-N 3.48Å; K198-N202 PolarHBondContact O-ND2 3.3Å; K198-N202 VanDerWaalsContact O-ND2 3.16Å; N202-A204 VanDerWaalsContact C-N 3.31Å; N202-A204 PolarHBondContact O-N 2.66Å; N202-K205 PolarHBondContact O-N 2.67Å; N202-A206 PolarHBondContact O-N 2.8Å
203A91.5Very high84.8Confident17 Ų1787.1 Ų87.114%0.1447%0.472CS..Hα-helixtrans-67.7-30.6179.500000112.8A132 R139 D199 L200 K205A132-A203 HydrophobicContact CB-CB 4.08Å; R139-A203 PolarHBondContact NH1-O 3.29Å; D199-A203 VanDerWaalsContact O-CB 3.3Å; D199-A203 WeakPolarHBondContact O-CB 3.05Å; D199-A203 PolarHBondContact O-N 2.68Å; L200-A203 PolarHBondContact O-N 2.93Å; A203-K205 VanDerWaalsContact C-N 3.31Å
204A89.6Confident82.4Confident59 Ų5991.9 Ų91.949%0.48850%0.498SS..Hα-helixtrans-68.3-31.8174.500000112.3L200 D201 N202L200-A204 WeakPolarHBondContact O-CB 3.32Å; L200-A204 PolarHBondContact O-N 3.26Å; D201-A204 PolarHBondContact O-N 3.24Å; N202-A204 VanDerWaalsContact C-N 3.31Å; N202-A204 PolarHBondContact O-N 2.66Å
205K90.1Very high79.7Confident147 Ų14798.6 Ų98.664%0.63953%0.525SS*.Hα-helixtrans-85.6-19.8178.7-68.1167-177.7166.90114.1D201 N202 A203D201-K205 VanDerWaalsContact CG-NZ 3.28Å; D201-K205 WeakPolarHBondContact O-CG 3.25Å; D201-K205 PolarHBondContact O-N 3.14Å; D201-K205 VanDerWaalsContact OD1-CE 3.23Å; D201-K205 WeakPolarHBondContact OD1-CE 3.4Å; D201-K205 IonicContact OD1-NZ 3.3Å; D201-K205 PolarHBondContact OD1-NZ 3.09Å; D201-K205 IonicContact OD2-NZ 3.93Å; D201-K205 PolarHBondContact OD2-NZ 3.47Å; N202-K205 PolarHBondContact O-N 2.67Å; A203-K205 VanDerWaalsContact C-N 3.31Å
206A89.8Confident79Confident48 Ų4897.9 Ų97.940%0.39753%0.525SS..SBendtrans-70.4151.7178.400000111.7R139 N202R139-A206 VanDerWaalsContact CZ-O 3.23Å; R139-A206 PolarHBondContact NH1-O 3.46Å; R139-A206 PolarHBondContact NH2-O 2.96Å; N202-A206 PolarHBondContact O-N 2.8Å
207D86.7Confident78.3Confident153 Ų153101.9 Ų101.982%0.81855%0.549SS*.PPolyproline II helixtrans-62.4148.3171-64.7-39.8000110.6
208L82.8Confident77.4Confident65 Ų65102.4 Ų102.434%0.3456%0.555SS.*PPolyproline II helixtrans-70.3137.3170.9-71.9172.7000108.1T136 R139 K140 D210T136-L208 HydrophobicContact CG2-CD2 4.2Å; R139-L208 HydrophobicContact CB-CD1 4.23Å; R139-L208 HydrophobicContact CB-CD2 3.87Å; R139-L208 HydrophobicContact CG-CD2 4.41Å; K140-L208 HydrophobicContact CG-CD1 4.42Å; L208-D210 PolarHBondContact O-N 3.36Å
209P78.5Confident76.3Confident75 Ų75100.3 Ų100.349%0.48755%0.552SS.*PPolyproline II helixtrans-58.7139171.126-32.6000109T136T136-P209 HydrophobicContact CG2-CG 4.39Å
210D72.1Confident75.2Confident146 Ų146102.6 Ų102.678%0.78157%0.565SS**PPolyproline II helixtrans-52.6141.4175.7-66.6-41.8000109.9L208 D212L208-D210 PolarHBondContact O-N 3.36Å; D210-D212 PolarHBondContact O-N 2.98Å
211D61.8Low74Confident105 Ų105106.7 Ų106.756%0.56159%0.589SS**SBendtrans-67.122.6-165.6-78.5-40.1000115.7K140 D213K140-D211 WeakPolarHBondContact CE-OD1 3.16Å; K140-D211 IonicContact NZ-OD1 2.83Å; K140-D211 PolarHBondContact NZ-OD1 3.23Å; D211-D213 PolarHBondContact O-N 3.46Å; D211-D213 VanDerWaalsContact O-N 3.08Å
212D51.4Low72.7Confident157 Ų157108.8 Ų108.884%0.8460%0.601SS**THydrogen-bonded Turntrans-72.61.5-178.9-74.5-23000114.4D210D210-D212 PolarHBondContact O-N 2.98Å
213D48.9Very low71Confident136 Ų136111.1 Ų111.173%0.72762%0.615SS**THydrogen-bonded Turntrans-11738.2179.5-84.4-29.5000113.1D211 L215D211-D213 PolarHBondContact O-N 3.46Å; D211-D213 VanDerWaalsContact O-N 3.08Å; D213-L215 PolarHBondContact O-N 2.87Å
214D41.2Very low69.3Low140 Ų140118.9 Ų118.975%0.74965%0.654SS**  trans-72.180.7161.3-85.3-16.2000109.9
215L38.8Very low67.4Low196 Ų196124.4 Ų124.4100%1.02667%0.67SS**  trans-110.80166.4-77.8173.9000111.9D213D213-L215 PolarHBondContact O-N 2.87Å

Retrieved 215 of 215 residues in 128.4 ms (Link to these results)

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