A0A077ZKS5_TRITR Loading...

snRNA-activating protein complex subunit 3 AlphaSync

Part of the SNAPc complex required for the transcription of both RNA polymerase II and III small-nuclear RNA genes. Binds to the proximal sequence element (PSE), a non-TATA-box basal promoter element common to these 2 types of genes. Recruits TBP and BRF2 to the U6 snRNA TATA box.

AlphaFold DB , UniProt , Accession A0A077ZKS5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 382 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
1M85.9Confident89.2Confident51 Ų5198.1 Ų98.125%0.25149%0.489SS..  0-110-73-62.3-79.500113.5R3 L4 H5 Y225 V257 F260M1-R3 VanDerWaalsContact C-N 3.26Å; M1-R3 PolarHBondContact O-N 3Å; M1-R3 VanDerWaalsContact O-N 3.1Å; M1-L4 HydrophobicContact CE-CD1 3.76Å; M1-L4 PolarHBondContact O-N 2.62Å; M1-L4 HydrophobicContact SD-CD1 4.04Å; M1-H5 PolarHBondContact O-N 3.44Å; M1-H5 VanDerWaalsContact O-N 3.15Å; M1-Y225 HydrophobicContact CG-CE1 4.23Å; M1-Y225 VanDerWaalsContact CG-OH 3.25Å; M1-Y225 WeakPolarHBondContact CG-OH 3.37Å; M1-V257 HydrophobicContact SD-CB 4.23Å; M1-V257 HydrophobicContact SD-CG1 3.93Å; M1-F260 HydrophobicContact CG-CE1 4.02Å; M1-F260 HydrophobicContact CG-CZ 4.08Å; M1-F260 HydrophobicContact SD-CZ 4.01Å
2D84.5Confident89.3Confident66 Ų66101.8 Ų101.835%0.35350%0.501SS..Hα-helixtrans-52.8-34.3-175.7-70.129.4000115.2L4 K6 P7 R276D2-L4 VanDerWaalsContact C-N 3.28Å; D2-L4 PolarHBondContact O-N 3.33Å; D2-K6 VanDerWaalsContact O-CA 3.25Å; D2-K6 WeakPolarHBondContact O-CA 3.43Å; D2-K6 PolarHBondContact O-N 3.3Å; D2-P7 HydrophobicContact CB-CG 4.25Å; D2-P7 WeakPolarHBondContact O-CD 3.48Å; D2-R276 IonicContact OD2-CZ 3.67Å; D2-R276 IonicContact OD2-NE 3.46Å; D2-R276 IonicContact OD2-NH2 3.89Å; D2-R276 PolarHBondContact OD2-NH2 2.84Å
3R84.7Confident89.7Confident183 Ų18395.2 Ų95.269%0.69147%0.47SS*.Hα-helixtrans-59.5-37.9175.6-68.5-178.7178.7171.7-2.8112.7M1 K6 G255M1-R3 VanDerWaalsContact C-N 3.26Å; M1-R3 PolarHBondContact O-N 3Å; M1-R3 VanDerWaalsContact O-N 3.1Å; R3-K6 WeakPolarHBondContact O-CG 3.5Å; R3-G255 PolarHBondContact NH1-O 3.24Å
4L86.2Confident90.2Very high101 Ų10190.9 Ų90.953%0.52945%0.453SS..Hα-helixtrans-81.7-51-179.4-66.4178.6000111.3M1 D2 V257M1-L4 HydrophobicContact CE-CD1 3.76Å; M1-L4 PolarHBondContact O-N 2.62Å; M1-L4 HydrophobicContact SD-CD1 4.04Å; D2-L4 VanDerWaalsContact C-N 3.28Å; D2-L4 PolarHBondContact O-N 3.33Å; L4-V257 HydrophobicContact CD1-CG1 3.54Å; L4-V257 HydrophobicContact CG-CG1 4.48Å
5H87.7Confident90.5Very high82 Ų8290.5 Ų90.538%0.3846%0.463SS..Hα-helixtrans-80-20.3-174.7-65.2-48000114.3M1 K10M1-H5 PolarHBondContact O-N 3.44Å; M1-H5 VanDerWaalsContact O-N 3.15Å; H5-K10 WeakPolarHBondContact O-CE 3.45Å
6K91.5Very high90.9Very high110 Ų11088.8 Ų88.848%0.47846%0.457SS..  trans46.857.3-180-58.5176.3-174.41700112D2 R3 N8 K9D2-K6 VanDerWaalsContact O-CA 3.25Å; D2-K6 WeakPolarHBondContact O-CA 3.43Å; D2-K6 PolarHBondContact O-N 3.3Å; R3-K6 WeakPolarHBondContact O-CG 3.5Å; K6-N8 PolarHBondContact O-N 3.21Å; K6-N8 VanDerWaalsContact O-N 3.16Å; K6-K9 HydrophobicContact CB-CB 4.38Å; K6-K9 HydrophobicContact CB-CD 4.15Å; K6-K9 HydrophobicContact CB-CG 4.14Å; K6-K9 HydrophobicContact CD-CD 4.09Å; K6-K9 WeakPolarHBondContact O-CB 3.23Å; K6-K9 PolarHBondContact O-N 3.39Å
7P91.7Very high91.3Very high3 Ų385.3 Ų85.32%0.01944%0.441CS..G310 helixtrans-54.7-38.8-174.221.5-32.8000112.5D2 K9 K10 V13D2-P7 HydrophobicContact CB-CG 4.25Å; D2-P7 WeakPolarHBondContact O-CD 3.48Å; P7-K9 PolarHBondContact O-N 3.48Å; P7-K10 WeakPolarHBondContact O-CB 3.5Å; P7-K10 PolarHBondContact O-N 3.18Å; P7-V13 HydrophobicContact CB-CG1 3.84Å
8N90.4Very high91.7Very high133 Ų13383 Ų8371%0.71143%0.43SS*.G310 helixtrans-63.1-11179.1-58.1-15.6000114.4K6 R276K6-N8 PolarHBondContact O-N 3.21Å; K6-N8 VanDerWaalsContact O-N 3.16Å; N8-R276 PolarHBondContact OD1-NH1 3.03Å
9K92.7Very high92Very high171 Ų17178.6 Ų78.674%0.74341%0.407SS*.G310 helixtrans-92.5-2.8174.4-63.4-165.9177-160.30113.2K6 P7K6-K9 HydrophobicContact CB-CB 4.38Å; K6-K9 HydrophobicContact CB-CD 4.15Å; K6-K9 HydrophobicContact CB-CG 4.14Å; K6-K9 HydrophobicContact CD-CD 4.09Å; K6-K9 WeakPolarHBondContact O-CB 3.23Å; K6-K9 PolarHBondContact O-N 3.39Å; P7-K9 PolarHBondContact O-N 3.48Å
10K92.3Very high92.3Very high65 Ų6579.4 Ų79.428%0.28341%0.405SS..  trans-107.7116.6-175.2-61.3177.7175.9-175.40109.2H5 P7 F12 V13H5-K10 WeakPolarHBondContact O-CE 3.45Å; P7-K10 WeakPolarHBondContact O-CB 3.5Å; P7-K10 PolarHBondContact O-N 3.18Å; K10-F12 HydrophobicContact CB-CD1 4.27Å; K10-F12 HydrophobicContact CB-CE1 3.94Å; K10-F12 HydrophobicContact CB-CE2 4.38Å; K10-F12 HydrophobicContact CB-CZ 4.01Å; K10-F12 HydrophobicContact CD-CE1 4.34Å; K10-F12 HydrophobicContact CD-CE2 4.12Å; K10-F12 HydrophobicContact CD-CZ 3.69Å; K10-F12 HydrophobicContact CG-CE1 4.29Å; K10-F12 HydrophobicContact CG-CZ 4.14Å; K10-F12 PolarHBondContact O-N 2.9Å; K10-V13 HydrophobicContact CB-CB 4.11Å; K10-V13 HydrophobicContact CB-CG2 3.74Å; K10-V13 HydrophobicContact CD-CG2 3.93Å; K10-V13 HydrophobicContact CG-CG2 4.49Å; K10-V13 PolarHBondContact O-N 3.38Å; K10-V13 VanDerWaalsContact O-N 3.09Å
11A93.1Very high92.6Very high114 Ų11478.3 Ų78.394%0.94240%0.402SS*.THydrogen-bonded Turntrans-62.6-24.7-177.600000113.7
12F90.3Very high93.2Very high143 Ų14378.8 Ų78.863%0.62740%0.402SS*.THydrogen-bonded Turntrans-88.61.1179.161.5-96.9000113.9K10K10-F12 HydrophobicContact CB-CD1 4.27Å; K10-F12 HydrophobicContact CB-CE1 3.94Å; K10-F12 HydrophobicContact CB-CE2 4.38Å; K10-F12 HydrophobicContact CB-CZ 4.01Å; K10-F12 HydrophobicContact CD-CE1 4.34Å; K10-F12 HydrophobicContact CD-CE2 4.12Å; K10-F12 HydrophobicContact CD-CZ 3.69Å; K10-F12 HydrophobicContact CG-CE1 4.29Å; K10-F12 HydrophobicContact CG-CZ 4.14Å; K10-F12 PolarHBondContact O-N 2.9Å
13V95.3Very high93.8Very high16 Ų1677.8 Ų77.810%0.09739%0.394CS..SBendtrans-109.9126179.2179.90000109.7P7 K10 R276 L277 Q279P7-V13 HydrophobicContact CB-CG1 3.84Å; K10-V13 HydrophobicContact CB-CB 4.11Å; K10-V13 HydrophobicContact CB-CG2 3.74Å; K10-V13 HydrophobicContact CD-CG2 3.93Å; K10-V13 HydrophobicContact CG-CG2 4.49Å; K10-V13 PolarHBondContact O-N 3.38Å; K10-V13 VanDerWaalsContact O-N 3.09Å; V13-R276 HydrophobicContact CG1-CB 3.86Å; V13-R276 HydrophobicContact CG1-CG 4.48Å; V13-L277 WeakPolarHBondContact CA-O 3.47Å; V13-Q279 HydrophobicContact CG1-CB 3.91Å
14S96.4Very high94.4Very high34 Ų3473.7 Ų73.724%0.23838%0.383CS..PPolyproline II helixtrans-72.5168.9179.377.50000113.1R276 L277S14-R276 WeakPolarHBondContact O-CG 3.39Å; S14-R276 PolarHBondContact O-NH1 3.07Å; S14-L277 PolarHBondContact N-O 2.84Å; S14-L277 PolarHBondContact OG-N 2.74Å
15S95.4Very high94.9Very high86 Ų8675.5 Ų75.560%0.60139%0.386SS*.PPolyproline II helixtrans-60.6166.2157.254.80000110.6V17S15-V17 PolarHBondContact O-N 2.82Å
16V96.6Very high95.3Very high62 Ų6272.6 Ų72.638%0.37638%0.376SS..PPolyproline II helixtrans-66129.4176.5-177.70000109.5N274 I275 R276V16-N274 HydrophobicContact CG1-CB 3.95Å; V16-I275 CarbonylContact C-O 3.58Å; V16-I275 WeakPolarHBondContact CA-O 3.4Å; V16-R276 HydrophobicContact CG2-CG 3.95Å; V16-R276 VanDerWaalsContact CG2-CZ 3.49Å
17V97Very high95.5Very high30 Ų3070.7 Ų70.718%0.18237%0.369CS..EExtended strand (participates in β ladder)trans-113.5122.4175.2-178.60000107.7S15 F22 I275S15-V17 PolarHBondContact O-N 2.82Å; V17-F22 HydrophobicContact CG1-CB 3.99Å; V17-I275 PolarHBondContact N-O 3.06Å; V17-I275 PolarHBondContact O-N 3.38Å
18N98.3Very high95.7Very high44 Ų4476.6 Ų76.624%0.23539%0.394CS..EExtended strand (participates in β ladder)trans-83.6120.6165.5178.4-94.1000108.2T21 F22 N274N18-T21 PolarHBondContact O-N 3.16Å; N18-T21 WeakPolarHBondContact OD1-CB 3.39Å; N18-T21 PolarHBondContact OD1-N 3.09Å; N18-T21 PolarHBondContact OD1-OG1 3.45Å; N18-F22 PolarHBondContact O-N 3.16Å; N18-N274 WeakPolarHBondContact CB-OD1 3.49Å; N18-N274 PolarHBondContact ND2-OD1 3.07Å
19V98.4Very high95.8Very high0 Ų073.5 Ų73.50%038%0.383CS..Hα-helixtrans-63.7-46.2-170.6177.50000111.4T21 F22 R23 A146 L148 F270 L273 I275 I298V19-T21 PolarHBondContact O-N 2.88Å; V19-F22 WeakPolarHBondContact O-CB 3.21Å; V19-F22 PolarHBondContact O-N 3.01Å; V19-R23 PolarHBondContact O-N 2.97Å; V19-A146 HydrophobicContact CG1-CB 4.3Å; V19-L148 HydrophobicContact CG1-CD1 4.31Å; V19-L148 HydrophobicContact CG1-CD2 4.43Å; V19-L148 HydrophobicContact CG2-CD2 4.12Å; V19-F270 WeakPolarHBondContact CB-O 3.41Å; V19-F270 WeakPolarHBondContact CG1-O 3.3Å; V19-F270 WeakPolarHBondContact CG2-O 3.36Å; V19-L273 HydrophobicContact CG2-CB 4.27Å; V19-L273 PolarHBondContact N-O 3.21Å; V19-L273 VanDerWaalsContact N-O 3.1Å; V19-I275 HydrophobicContact CG2-CD1 3.88Å; V19-I275 HydrophobicContact CG2-CG1 4.03Å; V19-I298 HydrophobicContact CB-CD1 4.47Å; V19-I298 HydrophobicContact CG1-CD1 3.97Å; V19-I298 HydrophobicContact CG2-CD1 4.29Å
20R98.2Very high95.7Very high94 Ų9468.5 Ų68.536%0.35536%0.364SS..Hα-helixtrans-55.3-50.9173.5179.7173.1-62.615412.3112.9F22 R23 E24 D271 D272R20-F22 PolarHBondContact O-N 3.27Å; R20-R23 PolarHBondContact O-N 3.29Å; R20-R23 VanDerWaalsContact O-N 3.12Å; R20-E24 WeakPolarHBondContact CD-OE1 3.45Å; R20-E24 HydrophobicContact CG-CG 4.18Å; R20-E24 VanDerWaalsContact CG-OE1 3.26Å; R20-E24 WeakPolarHBondContact CG-OE1 3.45Å; R20-E24 WeakPolarHBondContact O-CB 3.32Å; R20-E24 WeakPolarHBondContact O-CG 3.32Å; R20-E24 PolarHBondContact O-N 3.48Å; R20-D271 WeakPolarHBondContact CA-OD1 3.42Å; R20-D271 VanDerWaalsContact CB-O 3.29Å; R20-D271 WeakPolarHBondContact CB-O 3.3Å; R20-D271 WeakPolarHBondContact CB-OD2 3.46Å; R20-D271 WeakPolarHBondContact CG-OD2 3.3Å; R20-D271 IonicContact CZ-OD2 3.67Å; R20-D271 PolarHBondContact N-O 3.04Å; R20-D271 IonicContact NE-OD2 2.73Å; R20-D271 PolarHBondContact NE-OD2 3.49Å; R20-D271 IonicContact NH2-OD2 2.83Å; R20-D271 PolarHBondContact NH2-OD2 3.41Å; R20-D272 IonicContact CZ-OD1 3.57Å; R20-D272 IonicContact NH1-OD1 3.05Å; R20-D272 IonicContact NH2-OD1 3.43Å; R20-D272 PolarHBondContact NH2-OD1 3.26Å
21T98.1Very high95.5Very high56 Ų5669.9 Ų69.934%0.34438%0.381SS..Hα-helixtrans-60.7-36.8-179.9-57.20000111.3N18 V19 K25N18-T21 PolarHBondContact O-N 3.16Å; N18-T21 WeakPolarHBondContact OD1-CB 3.39Å; N18-T21 PolarHBondContact OD1-N 3.09Å; N18-T21 PolarHBondContact OD1-OG1 3.45Å; V19-T21 PolarHBondContact O-N 2.88Å; T21-K25 HydrophobicContact CG2-CD 4.03Å; T21-K25 HydrophobicContact CG2-CG 4.47Å; T21-K25 VanDerWaalsContact O-CB 3.29Å; T21-K25 WeakPolarHBondContact O-CB 3.44Å; T21-K25 WeakPolarHBondContact O-CG 3.49Å; T21-K25 PolarHBondContact O-N 2.93Å; T21-K25 VanDerWaalsContact O-N 3.1Å
22F98.2Very high95.3Very high61 Ų6170.6 Ų70.627%0.26837%0.365SS..Hα-helixtrans-62.9-50.8173.7169.1-89000111.1V17 N18 V19 R20 K25 A26 A146 I298V17-F22 HydrophobicContact CG1-CB 3.99Å; N18-F22 PolarHBondContact O-N 3.16Å; V19-F22 WeakPolarHBondContact O-CB 3.21Å; V19-F22 PolarHBondContact O-N 3.01Å; R20-F22 PolarHBondContact O-N 3.27Å; F22-K25 PolarHBondContact O-N 3.15Å; F22-A26 WeakPolarHBondContact O-CB 3.25Å; F22-A26 PolarHBondContact O-N 3.38Å; F22-A146 HydrophobicContact CD1-CB 4Å; F22-A146 HydrophobicContact CE1-CB 4.14Å; F22-I298 HydrophobicContact CB-CD1 4.38Å; F22-I298 HydrophobicContact CD1-CD1 3.47Å; F22-I298 VanDerWaalsContact CD1-CD1 3.47Å; F22-I298 HydrophobicContact CD1-CG1 3.78Å; F22-I298 HydrophobicContact CD2-CG2 4.48Å; F22-I298 HydrophobicContact CE1-CD1 3.91Å; F22-I298 HydrophobicContact CE1-CG1 3.64Å; F22-I298 HydrophobicContact CE1-CG2 4.46Å; F22-I298 HydrophobicContact CE2-CG2 4.27Å; F22-I298 HydrophobicContact CG-CD1 3.95Å; F22-I298 HydrophobicContact CG-CG1 4.49Å; F22-I298 HydrophobicContact CZ-CG1 4.21Å; F22-I298 HydrophobicContact CZ-CG2 4.27Å
23R97.7Very high95.1Very high46 Ų4667.5 Ų67.517%0.17436%0.355CS..Hα-helixtrans-59.1-49.6-179.6-173-177.567.770.47.8111.9V19 R20 K25 A26 E27 N144 A146 S181 D271 F300V19-R23 PolarHBondContact O-N 2.97Å; R20-R23 PolarHBondContact O-N 3.29Å; R20-R23 VanDerWaalsContact O-N 3.12Å; R23-K25 PolarHBondContact O-N 3.34Å; R23-A26 PolarHBondContact O-N 2.94Å; R23-E27 IonicContact NH1-OE2 3.5Å; R23-E27 PolarHBondContact NH1-OE2 3.09Å; R23-E27 WeakPolarHBondContact O-CB 3.45Å; R23-E27 PolarHBondContact O-N 3.17Å; R23-N144 WeakPolarHBondContact CD-O 3.43Å; R23-N144 PolarHBondContact NH1-O 3.22Å; R23-A146 HydrophobicContact CB-CB 4.13Å; R23-A146 HydrophobicContact CG-CB 4.36Å; R23-S181 WeakPolarHBondContact CD-OG 3.14Å; R23-D271 IonicContact NE-OD1 3.41Å; R23-D271 PolarHBondContact NE-OD1 3.47Å; R23-D271 VanDerWaalsContact NE-OD1 3.11Å; R23-D271 IonicContact NE-OD2 3.48Å; R23-D271 IonicContact NH2-OD2 3.85Å; R23-F300 HydrophobicContact CG-CE2 4.27Å
24E97.5Very high94.3Very high97 Ų9769.4 Ų69.445%0.45337%0.368SS..Hα-helixtrans-62.8-40.6179.5-70.6173.4172.600112.2R20 K28R20-E24 WeakPolarHBondContact CD-OE1 3.45Å; R20-E24 HydrophobicContact CG-CG 4.18Å; R20-E24 VanDerWaalsContact CG-OE1 3.26Å; R20-E24 WeakPolarHBondContact CG-OE1 3.45Å; R20-E24 WeakPolarHBondContact O-CB 3.32Å; R20-E24 WeakPolarHBondContact O-CG 3.32Å; R20-E24 PolarHBondContact O-N 3.48Å; E24-K28 WeakPolarHBondContact O-CB 3.38Å; E24-K28 PolarHBondContact O-N 2.89Å
25K97.1Very high93.3Very high139 Ų13974.8 Ų74.860%0.60439%0.389SS*.Hα-helixtrans-66.1-42.9175.5-77.3177.6179.4179.70111.8T21 F22 R23 K28 S29T21-K25 HydrophobicContact CG2-CD 4.03Å; T21-K25 HydrophobicContact CG2-CG 4.47Å; T21-K25 VanDerWaalsContact O-CB 3.29Å; T21-K25 WeakPolarHBondContact O-CB 3.44Å; T21-K25 WeakPolarHBondContact O-CG 3.49Å; T21-K25 PolarHBondContact O-N 2.93Å; T21-K25 VanDerWaalsContact O-N 3.1Å; F22-K25 PolarHBondContact O-N 3.15Å; R23-K25 PolarHBondContact O-N 3.34Å; K25-K28 PolarHBondContact O-N 2.88Å; K25-S29 WeakPolarHBondContact O-CB 3.37Å; K25-S29 PolarHBondContact O-N 3.3Å; K25-S29 PolarHBondContact O-OG 3.13Å; K25-S29 VanDerWaalsContact O-OG 3.14Å
26A95.9Very high92.2Very high20 Ų2072.5 Ų72.517%0.16537%0.372CS..Hα-helixtrans-64.5-44.6177.900000111.4F22 R23 K28 S29 I30 F300F22-A26 WeakPolarHBondContact O-CB 3.25Å; F22-A26 PolarHBondContact O-N 3.38Å; R23-A26 PolarHBondContact O-N 2.94Å; A26-K28 VanDerWaalsContact C-N 3.34Å; A26-K28 PolarHBondContact O-N 2.93Å; A26-S29 PolarHBondContact O-N 3.4Å; A26-I30 WeakPolarHBondContact O-CG1 3.23Å; A26-I30 PolarHBondContact O-N 2.76Å; A26-F300 HydrophobicContact CB-CB 3.87Å; A26-F300 HydrophobicContact CB-CD2 3.57Å; A26-F300 HydrophobicContact CB-CE2 4.29Å; A26-F300 HydrophobicContact CB-CG 3.87Å
27E95Very high91Very high70 Ų7076 Ų7633%0.32738%0.38SS..Hα-helixtrans-57.9-46.6174.7-177.4171.7-167.200111.2R23 I30 S31 N144 F300R23-E27 IonicContact NH1-OE2 3.5Å; R23-E27 PolarHBondContact NH1-OE2 3.09Å; R23-E27 WeakPolarHBondContact O-CB 3.45Å; R23-E27 PolarHBondContact O-N 3.17Å; E27-I30 PolarHBondContact O-N 2.84Å; E27-S31 PolarHBondContact O-N 2.79Å; E27-N144 HydrophobicContact CG-CB 4.26Å; E27-N144 PolarHBondContact OE1-ND2 2.96Å; E27-F300 HydrophobicContact CB-CE2 3.93Å; E27-F300 HydrophobicContact CB-CZ 4.06Å
28K95.5Very high89.8Confident128 Ų12880.6 Ų80.656%0.55740%0.397SS*.Hα-helixtrans-59.9-50.3175.2-175-178.2176.1-171.10111.7E24 K25 A26 I30 S31 E32E24-K28 WeakPolarHBondContact O-CB 3.38Å; E24-K28 PolarHBondContact O-N 2.89Å; K25-K28 PolarHBondContact O-N 2.88Å; A26-K28 VanDerWaalsContact C-N 3.34Å; A26-K28 PolarHBondContact O-N 2.93Å; K28-I30 VanDerWaalsContact C-N 3.29Å; K28-I30 PolarHBondContact O-N 3.43Å; K28-S31 PolarHBondContact O-N 3.4Å; K28-S31 VanDerWaalsContact O-N 3.14Å; K28-S31 PolarHBondContact O-OG 3.06Å; K28-E32 WeakPolarHBondContact CE-OE1 3.31Å; K28-E32 IonicContact NZ-OE1 2.65Å; K28-E32 WeakPolarHBondContact O-CG 3.26Å; K28-E32 PolarHBondContact O-N 3.1Å; K28-E32 VanDerWaalsContact O-N 3.14Å
29S93.6Very high88.5Confident68 Ų6884.3 Ų84.348%0.47641%0.413SS..Hα-helixtrans-60.8-38.1-179.5-68.70000112.5K25 A26 E32K25-S29 WeakPolarHBondContact O-CB 3.37Å; K25-S29 PolarHBondContact O-N 3.3Å; K25-S29 PolarHBondContact O-OG 3.13Å; K25-S29 VanDerWaalsContact O-OG 3.14Å; A26-S29 PolarHBondContact O-N 3.4Å; S29-E32 PolarHBondContact O-N 3.06Å
30I89.8Confident86.9Confident66 Ų6693 Ų9334%0.33846%0.46SS..Hα-helixtrans-67.9-39.7176-71.1165.3000111A26 E27 K28 E32 L33 F38 F300A26-I30 WeakPolarHBondContact O-CG1 3.23Å; A26-I30 PolarHBondContact O-N 2.76Å; E27-I30 PolarHBondContact O-N 2.84Å; K28-I30 VanDerWaalsContact C-N 3.29Å; K28-I30 PolarHBondContact O-N 3.43Å; I30-E32 PolarHBondContact O-N 2.75Å; I30-L33 WeakPolarHBondContact O-CB 3.05Å; I30-L33 PolarHBondContact O-N 2.67Å; I30-L33 VanDerWaalsContact O-N 3.13Å; I30-F38 HydrophobicContact CG2-CZ 4.03Å; I30-F300 HydrophobicContact CD1-CD1 3.18Å; I30-F300 HydrophobicContact CD1-CE1 3.33Å; I30-F300 HydrophobicContact CD1-CG 3.95Å; I30-F300 HydrophobicContact CD1-CZ 4.2Å
31S88.1Confident85.6Confident93 Ų9390.3 Ų90.365%0.6546%0.458SS*.Hα-helixtrans-66.8-20.7177.873.20000114.2E27 K28E27-S31 PolarHBondContact O-N 2.79Å; K28-S31 PolarHBondContact O-N 3.4Å; K28-S31 VanDerWaalsContact O-N 3.14Å; K28-S31 PolarHBondContact O-OG 3.06Å
32E89.8Confident85Confident130 Ų13092.5 Ų92.561%0.60747%0.468SS*.THydrogen-bonded Turntrans-84.4-13.4175.8-70.5172.8172.400112.6K28 S29 I30K28-E32 WeakPolarHBondContact CE-OE1 3.31Å; K28-E32 IonicContact NZ-OE1 2.65Å; K28-E32 WeakPolarHBondContact O-CG 3.26Å; K28-E32 PolarHBondContact O-N 3.1Å; K28-E32 VanDerWaalsContact O-N 3.14Å; S29-E32 PolarHBondContact O-N 3.06Å; I30-E32 PolarHBondContact O-N 2.75Å
33L84.9Confident84.4Confident78 Ų7896.1 Ų96.141%0.40849%0.485SS..SBendtrans-75.6143.6178.2-68.8173.6000111.1I30 Q35 Y37 F38I30-L33 WeakPolarHBondContact O-CB 3.05Å; I30-L33 PolarHBondContact O-N 2.67Å; I30-L33 VanDerWaalsContact O-N 3.13Å; L33-Q35 PolarHBondContact O-N 2.98Å; L33-Y37 HydrophobicContact CB-CD2 4.39Å; L33-Y37 HydrophobicContact CD2-CD2 4.35Å; L33-Y37 HydrophobicContact CD2-CE2 4.29Å; L33-F38 HydrophobicContact CB-CE2 3.86Å; L33-F38 HydrophobicContact CB-CZ 4.1Å; L33-F38 HydrophobicContact CD1-CZ 3.89Å
34P79.4Confident84Confident56 Ų5695.7 Ų95.736%0.36449%0.488SS..  trans-55.1133.4175.3-26.535.5000112.3C36 Y37P34-C36 WeakPolarHBondContact CB-SG 3.42Å; P34-C36 PolarHBondContact O-N 3.39Å; P34-C36 VanDerWaalsContact O-N 3.15Å; P34-Y37 HydrophobicContact CB-CD1 4.32Å; P34-Y37 HydrophobicContact CB-CE1 4.36Å; P34-Y37 HydrophobicContact CG-CE1 4.33Å; P34-Y37 HydrophobicContact CG-CE2 4.32Å; P34-Y37 WeakPolarHBondContact O-CB 3.45Å; P34-Y37 PolarHBondContact O-N 3.37Å
35Q75.8Confident83.4Confident147 Ų14792.4 Ų92.469%0.68748%0.477SS*.G310 helixtrans-58-30178.8-78.1-173.9-3500113L33 Y37 F38 E39L33-Q35 PolarHBondContact O-N 2.98Å; Q35-Y37 PolarHBondContact O-N 3.3Å; Q35-F38 PolarHBondContact O-N 2.89Å; Q35-E39 PolarHBondContact O-N 3.34Å
36C70.6Confident82.8Confident37 Ų3787 Ų8725%0.2546%0.456CS..G310 helixtrans-59.7-16.3176580000113.9P34 F38 A41 T46P34-C36 WeakPolarHBondContact CB-SG 3.42Å; P34-C36 PolarHBondContact O-N 3.39Å; P34-C36 VanDerWaalsContact O-N 3.15Å; C36-F38 VanDerWaalsContact C-N 3.28Å; C36-A41 HydrophobicContact CB-CB 4.21Å; C36-T46 HydrophobicContact CB-CG2 3.9Å
37Y72.2Confident82.4Confident137 Ų13787.7 Ų87.754%0.53746%0.457SS..G310 helixtrans-75.3-18.3174-69.32.2000113.3L33 P34 Q35L33-Y37 HydrophobicContact CB-CD2 4.39Å; L33-Y37 HydrophobicContact CD2-CD2 4.35Å; L33-Y37 HydrophobicContact CD2-CE2 4.29Å; P34-Y37 HydrophobicContact CB-CD1 4.32Å; P34-Y37 HydrophobicContact CB-CE1 4.36Å; P34-Y37 HydrophobicContact CG-CE1 4.33Å; P34-Y37 HydrophobicContact CG-CE2 4.32Å; P34-Y37 WeakPolarHBondContact O-CB 3.45Å; P34-Y37 PolarHBondContact O-N 3.37Å; Q35-Y37 PolarHBondContact O-N 3.3Å
38F72Confident82.1Confident125 Ų12585 Ų8555%0.54845%0.446SS..THydrogen-bonded Turntrans-114.3-15.3-175.3-53.9-73.7000113.2I30 L33 Q35 C36I30-F38 HydrophobicContact CG2-CZ 4.03Å; L33-F38 HydrophobicContact CB-CE2 3.86Å; L33-F38 HydrophobicContact CB-CZ 4.1Å; L33-F38 HydrophobicContact CD1-CZ 3.89Å; Q35-F38 PolarHBondContact O-N 2.89Å; C36-F38 VanDerWaalsContact C-N 3.28Å
39E70.6Confident81.6Confident122 Ų12285.4 Ų85.457%0.5745%0.454SS*.SBendtrans-95.3150.8177.7-65.7-178.3176.200110.1Q35 A41Q35-E39 PolarHBondContact O-N 3.34Å; E39-A41 PolarHBondContact O-N 2.94Å
40N64.6Low81.1Confident183 Ų18384.8 Ų84.898%0.97945%0.45SS*.  trans-70.367.3166.3-70.6-31.6000108.9
41A70.4Confident81Confident37 Ų3786.5 Ų86.531%0.30646%0.459SS..  trans-78.1156.117800000110.1C36 E39 E43 T46C36-A41 HydrophobicContact CB-CB 4.21Å; E39-A41 PolarHBondContact O-N 2.94Å; A41-E43 PolarHBondContact O-N 3.43Å; A41-E43 VanDerWaalsContact O-N 3.15Å; A41-T46 WeakPolarHBondContact CB-OG1 3.45Å
42D85.7Confident81Confident103 Ų10385.2 Ų85.255%0.55146%0.46SS*.  trans-59117.2168.2173.515.3000109V44 A45 T46D42-V44 VanDerWaalsContact C-N 3.25Å; D42-V44 PolarHBondContact O-N 3.2Å; D42-V44 PolarHBondContact OD1-N 3.23Å; D42-V44 VanDerWaalsContact OD1-N 3.16Å; D42-A45 HydrophobicContact CB-CB 4.03Å; D42-A45 PolarHBondContact O-N 2.96Å; D42-A45 WeakPolarHBondContact OD2-CB 3.29Å; D42-T46 VanDerWaalsContact O-CB 3.31Å; D42-T46 WeakPolarHBondContact O-CB 3.46Å; D42-T46 PolarHBondContact O-N 3.16Å; D42-T46 PolarHBondContact O-OG1 3.47Å
43E86Confident81.1Confident136 Ų13683.8 Ų83.864%0.63645%0.45SS*.Hα-helixtrans-59.5-38.6-176.1-65.8-178.7173.100111.1A41 T46 L47 L62A41-E43 PolarHBondContact O-N 3.43Å; A41-E43 VanDerWaalsContact O-N 3.15Å; E43-T46 PolarHBondContact O-N 3.43Å; E43-L47 VanDerWaalsContact O-CB 3.3Å; E43-L47 WeakPolarHBondContact O-CB 3.36Å; E43-L47 PolarHBondContact O-N 2.93Å; E43-L62 HydrophobicContact CB-CD1 3.78Å; E43-L62 HydrophobicContact CB-CD2 4.36Å
44V88.7Confident81.4Confident38 Ų3882.7 Ų82.723%0.2345%0.449CS..Hα-helixtrans-66-52.7-179.3178.40000109.8D42 T46 L47 A48 E55 A58 A59 L62D42-V44 VanDerWaalsContact C-N 3.25Å; D42-V44 PolarHBondContact O-N 3.2Å; D42-V44 PolarHBondContact OD1-N 3.23Å; D42-V44 VanDerWaalsContact OD1-N 3.16Å; V44-T46 VanDerWaalsContact C-N 3.28Å; V44-T46 PolarHBondContact O-N 3.28Å; V44-L47 PolarHBondContact O-N 2.96Å; V44-A48 VanDerWaalsContact O-CB 3.31Å; V44-A48 WeakPolarHBondContact O-CB 3.21Å; V44-A48 PolarHBondContact O-N 3.24Å; V44-E55 HydrophobicContact CG1-CB 4.32Å; V44-E55 WeakPolarHBondContact CG1-O 3.3Å; V44-A58 HydrophobicContact CG1-CB 3.99Å; V44-A59 HydrophobicContact CG1-CB 4.27Å; V44-A59 HydrophobicContact CG2-CB 4.27Å; V44-L62 HydrophobicContact CB-CD1 4.27Å; V44-L62 HydrophobicContact CG2-CD1 3.71Å
45A85.9Confident82Confident28 Ų2886.7 Ų86.723%0.23146%0.463CS..Hα-helixtrans-61.2-38.517800000111.9D42 N49D42-A45 HydrophobicContact CB-CB 4.03Å; D42-A45 PolarHBondContact O-N 2.96Å; D42-A45 WeakPolarHBondContact OD2-CB 3.29Å; A45-N49 VanDerWaalsContact O-CB 3.3Å; A45-N49 WeakPolarHBondContact O-CB 3.26Å; A45-N49 PolarHBondContact O-N 3.43Å; A45-N49 PolarHBondContact O-ND2 3.48Å
46T85.4Confident82.9Confident26 Ų2686.1 Ų86.116%0.1646%0.464CS..Hα-helixtrans-64-48.5177.4-59.20000111C36 A41 D42 E43 V44 N49 C50C36-T46 HydrophobicContact CB-CG2 3.9Å; A41-T46 WeakPolarHBondContact CB-OG1 3.45Å; D42-T46 VanDerWaalsContact O-CB 3.31Å; D42-T46 WeakPolarHBondContact O-CB 3.46Å; D42-T46 PolarHBondContact O-N 3.16Å; D42-T46 PolarHBondContact O-OG1 3.47Å; E43-T46 PolarHBondContact O-N 3.43Å; V44-T46 VanDerWaalsContact C-N 3.28Å; V44-T46 PolarHBondContact O-N 3.28Å; T46-N49 PolarHBondContact O-N 2.87Å; T46-C50 VanDerWaalsContact O-CB 3.27Å; T46-C50 WeakPolarHBondContact O-CB 3.35Å; T46-C50 PolarHBondContact O-N 3.38Å; T46-C50 PolarHBondContact O-SG 3.34Å
47L86.9Confident84Confident34 Ų3488.9 Ų88.918%0.17847%0.474CS..Hα-helixtrans-64.3-43.1179.2-169.270.1000111.6E43 V44 N49 C50 L51 Y53 A58 V61 L62E43-L47 VanDerWaalsContact O-CB 3.3Å; E43-L47 WeakPolarHBondContact O-CB 3.36Å; E43-L47 PolarHBondContact O-N 2.93Å; V44-L47 PolarHBondContact O-N 2.96Å; L47-N49 PolarHBondContact O-N 2.88Å; L47-C50 PolarHBondContact O-N 2.76Å; L47-L51 HydrophobicContact CD1-CD1 3.32Å; L47-L51 HydrophobicContact CD1-CG 3.93Å; L47-L51 HydrophobicContact CG-CD1 4.06Å; L47-L51 WeakPolarHBondContact O-CB 3.43Å; L47-L51 PolarHBondContact O-N 3.26Å; L47-Y53 HydrophobicContact CD2-CD2 4.42Å; L47-Y53 HydrophobicContact CG-CD2 4.25Å; L47-A58 HydrophobicContact CB-CB 4.09Å; L47-A58 HydrophobicContact CD2-CB 4.04Å; L47-A58 HydrophobicContact CG-CB 4.27Å; L47-V61 HydrophobicContact CD2-CB 4.03Å; L47-V61 HydrophobicContact CD2-CG1 3.87Å; L47-L62 HydrophobicContact CD2-CD1 4.32Å; L47-L62 HydrophobicContact CD2-CD2 4.21Å; L47-L62 HydrophobicContact CD2-CG 3.82Å
48A88.8Confident84.9Confident12 Ų1282.4 Ų82.410%0.09945%0.448CS..Hα-helixtrans-57-47.9174.800000111.4V44 G52 Y53 A58V44-A48 VanDerWaalsContact O-CB 3.31Å; V44-A48 WeakPolarHBondContact O-CB 3.21Å; V44-A48 PolarHBondContact O-N 3.24Å; A48-G52 CarbonylContact O-C 3.56Å; A48-G52 WeakPolarHBondContact O-CA 3.48Å; A48-G52 PolarHBondContact O-N 3.31Å; A48-Y53 WeakPolarHBondContact CA-O 3.31Å; A48-Y53 VanDerWaalsContact CB-O 3.29Å; A48-Y53 WeakPolarHBondContact CB-O 3.3Å; A48-Y53 PolarHBondContact O-N 3.47Å; A48-A58 HydrophobicContact CB-CB 4.11Å
49N84.7Confident85.9Confident138 Ų13878.5 Ų78.574%0.73844%0.439SS*.Hα-helixtrans-69.6-40.5179.8-72.8-33.8000113.3A45 T46 L47A45-N49 VanDerWaalsContact O-CB 3.3Å; A45-N49 WeakPolarHBondContact O-CB 3.26Å; A45-N49 PolarHBondContact O-N 3.43Å; A45-N49 PolarHBondContact O-ND2 3.48Å; T46-N49 PolarHBondContact O-N 2.87Å; L47-N49 PolarHBondContact O-N 2.88Å
50C84Confident87Confident55 Ų5578.4 Ų78.437%0.37244%0.439SS..Hα-helixtrans-78.1-37-175.1-71.50000113.2T46 L47T46-C50 VanDerWaalsContact O-CB 3.27Å; T46-C50 WeakPolarHBondContact O-CB 3.35Å; T46-C50 PolarHBondContact O-N 3.38Å; T46-C50 PolarHBondContact O-SG 3.34Å; L47-C50 PolarHBondContact O-N 2.76Å
51L87.6Confident88.2Confident102 Ų10271.7 Ų71.753%0.53440%0.404SS..Hα-helixtrans-103.6-8.2-177.2-59.8-175.5000113.7L47 Y53L47-L51 HydrophobicContact CD1-CD1 3.32Å; L47-L51 HydrophobicContact CD1-CG 3.93Å; L47-L51 HydrophobicContact CG-CD1 4.06Å; L47-L51 WeakPolarHBondContact O-CB 3.43Å; L47-L51 PolarHBondContact O-N 3.26Å; L51-Y53 HydrophobicContact CB-CD2 3.86Å; L51-Y53 HydrophobicContact CB-CE2 3.84Å; L51-Y53 HydrophobicContact CB-CG 4.29Å; L51-Y53 HydrophobicContact CD1-CD2 4.07Å; L51-Y53 HydrophobicContact CD1-CE2 3.49Å; L51-Y53 VanDerWaalsContact CD1-CE2 3.49Å; L51-Y53 HydrophobicContact CG-CE2 4.33Å
52G87.7Confident89.1Confident66 Ų6672 Ų7268%0.6840%0.4SS*.THydrogen-bonded Turntrans74.925.6-177.800000113.8A48A48-G52 CarbonylContact O-C 3.56Å; A48-G52 WeakPolarHBondContact O-CA 3.48Å; A48-G52 PolarHBondContact O-N 3.31Å
53Y90.9Very high89.3Confident99 Ų9970.3 Ų70.339%0.38840%0.397SS..  trans-81.8153.5174.7-66.7-32.9000111.7L47 A48 L51 E57 V61L47-Y53 HydrophobicContact CD2-CD2 4.42Å; L47-Y53 HydrophobicContact CG-CD2 4.25Å; A48-Y53 WeakPolarHBondContact CA-O 3.31Å; A48-Y53 VanDerWaalsContact CB-O 3.29Å; A48-Y53 WeakPolarHBondContact CB-O 3.3Å; A48-Y53 PolarHBondContact O-N 3.47Å; L51-Y53 HydrophobicContact CB-CD2 3.86Å; L51-Y53 HydrophobicContact CB-CE2 3.84Å; L51-Y53 HydrophobicContact CB-CG 4.29Å; L51-Y53 HydrophobicContact CD1-CD2 4.07Å; L51-Y53 HydrophobicContact CD1-CE2 3.49Å; L51-Y53 VanDerWaalsContact CD1-CE2 3.49Å; L51-Y53 HydrophobicContact CG-CE2 4.33Å; Y53-E57 HydrophobicContact CG-CB 4.33Å; Y53-V61 HydrophobicContact CE2-CG2 4.25Å
54S92.4Very high89.4Confident55 Ų5569.8 Ų69.839%0.38539%0.394SS..  trans-65.8156.4162.164.70000110.5N56 E57 A58S54-N56 PolarHBondContact O-N 3.43Å; S54-E57 WeakPolarHBondContact CB-OE2 3.43Å; S54-E57 PolarHBondContact N-OE2 3.22Å; S54-E57 PolarHBondContact O-N 2.94Å; S54-E57 VanDerWaalsContact O-N 3.13Å; S54-E57 WeakPolarHBondContact OG-CB 3.43Å; S54-E57 VanDerWaalsContact OG-CD 3.26Å; S54-E57 VanDerWaalsContact OG-CG 3.25Å; S54-E57 WeakPolarHBondContact OG-CG 3.33Å; S54-E57 PolarHBondContact OG-N 3.39Å; S54-E57 PolarHBondContact OG-OE2 2.97Å; S54-A58 WeakPolarHBondContact O-CB 3.27Å; S54-A58 PolarHBondContact O-N 3.29Å
55E92Very high89.2Confident141 Ų14175 Ų7566%0.65941%0.414SS*.Hα-helixtrans-56.1-35177.9-67.8-179.1173.100112.3V44 A59V44-E55 HydrophobicContact CG1-CB 4.32Å; V44-E55 WeakPolarHBondContact CG1-O 3.3Å; E55-A59 WeakPolarHBondContact O-CB 3.43Å; E55-A59 PolarHBondContact O-N 3Å
56N93.7Very high89Confident134 Ų13477.2 Ų77.272%0.71742%0.422SS*.Hα-helixtrans-68-46176.9-68.9-26.5000112.2S54 A58 A59 E60S54-N56 PolarHBondContact O-N 3.43Å; N56-A58 VanDerWaalsContact C-N 3.34Å; N56-A59 PolarHBondContact O-N 2.95Å; N56-E60 WeakPolarHBondContact O-CB 3.34Å; N56-E60 PolarHBondContact O-N 2.74Å
57E93.4Very high88.8Confident96 Ų9680.4 Ų80.445%0.44944%0.443SS..Hα-helixtrans-63.9-41.5176.2-73.3164.2144.100110.8Y53 S54 E60 V61Y53-E57 HydrophobicContact CG-CB 4.33Å; S54-E57 WeakPolarHBondContact CB-OE2 3.43Å; S54-E57 PolarHBondContact N-OE2 3.22Å; S54-E57 PolarHBondContact O-N 2.94Å; S54-E57 VanDerWaalsContact O-N 3.13Å; S54-E57 WeakPolarHBondContact OG-CB 3.43Å; S54-E57 VanDerWaalsContact OG-CD 3.26Å; S54-E57 VanDerWaalsContact OG-CG 3.25Å; S54-E57 WeakPolarHBondContact OG-CG 3.33Å; S54-E57 PolarHBondContact OG-N 3.39Å; S54-E57 PolarHBondContact OG-OE2 2.97Å; E57-E60 PolarHBondContact O-N 3.38Å; E57-V61 WeakPolarHBondContact O-CB 3.38Å; E57-V61 WeakPolarHBondContact O-CG2 2.98Å; E57-V61 PolarHBondContact O-N 3.48Å
58A92.2Very high88.3Confident0 Ų081.6 Ų81.60%045%0.454CS..Hα-helixtrans-61.6-44.9176.400000111.8V44 L47 A48 S54 N56 V61 L62V44-A58 HydrophobicContact CG1-CB 3.99Å; L47-A58 HydrophobicContact CB-CB 4.09Å; L47-A58 HydrophobicContact CD2-CB 4.04Å; L47-A58 HydrophobicContact CG-CB 4.27Å; A48-A58 HydrophobicContact CB-CB 4.11Å; S54-A58 WeakPolarHBondContact O-CB 3.27Å; S54-A58 PolarHBondContact O-N 3.29Å; N56-A58 VanDerWaalsContact C-N 3.34Å; A58-V61 PolarHBondContact O-N 2.85Å; A58-L62 WeakPolarHBondContact O-CB 3.45Å; A58-L62 WeakPolarHBondContact O-CG 3.07Å; A58-L62 PolarHBondContact O-N 3.32Å
59A92.6Very high87.8Confident44 Ų4487.5 Ų87.536%0.36448%0.479SS..Hα-helixtrans-64.4-40.6176.400000112.4V44 E55 N56 L62 S63V44-A59 HydrophobicContact CG1-CB 4.27Å; V44-A59 HydrophobicContact CG2-CB 4.27Å; E55-A59 WeakPolarHBondContact O-CB 3.43Å; E55-A59 PolarHBondContact O-N 3Å; N56-A59 PolarHBondContact O-N 2.95Å; A59-L62 PolarHBondContact O-N 3.15Å; A59-S63 WeakPolarHBondContact O-CB 3.4Å; A59-S63 PolarHBondContact O-N 2.89Å
60E92.8Very high87.4Confident120 Ų12088.3 Ų88.356%0.56148%0.483SS*.Hα-helixtrans-61.7-47.9174.7-176.5-179.8177.600111N56 E57 L62 S63 H64N56-E60 WeakPolarHBondContact O-CB 3.34Å; N56-E60 PolarHBondContact O-N 2.74Å; E57-E60 PolarHBondContact O-N 3.38Å; E60-L62 PolarHBondContact O-N 3.36Å; E60-S63 WeakPolarHBondContact O-CB 3.35Å; E60-S63 PolarHBondContact O-N 2.74Å; E60-S63 VanDerWaalsContact O-N 3.15Å; E60-S63 PolarHBondContact O-OG 2.88Å; E60-H64 PolarHBondContact O-N 3.03Å
61V91Very high86.8Confident41 Ų4191 Ų9125%0.24849%0.486CS..Hα-helixtrans-59.7-48.5177.91720000110.8L47 Y53 E57 A58 S63 H64 F65L47-V61 HydrophobicContact CD2-CB 4.03Å; L47-V61 HydrophobicContact CD2-CG1 3.87Å; Y53-V61 HydrophobicContact CE2-CG2 4.25Å; E57-V61 WeakPolarHBondContact O-CB 3.38Å; E57-V61 WeakPolarHBondContact O-CG2 2.98Å; E57-V61 PolarHBondContact O-N 3.48Å; A58-V61 PolarHBondContact O-N 2.85Å; V61-S63 PolarHBondContact O-N 3.07Å; V61-H64 PolarHBondContact O-N 3.08Å; V61-H64 VanDerWaalsContact O-N 3.09Å; V61-F65 HydrophobicContact CG1-CD2 3.87Å; V61-F65 HydrophobicContact CG1-CE2 3.6Å; V61-F65 WeakPolarHBondContact O-CD2 3.45Å
62L89.7Confident86.1Confident44 Ų4489.2 Ų89.223%0.2348%0.481CS..Hα-helixtrans-61-32.8177.9-73.5168.4000112.4E43 V44 L47 A58 A59 E60 H64 F65E43-L62 HydrophobicContact CB-CD1 3.78Å; E43-L62 HydrophobicContact CB-CD2 4.36Å; V44-L62 HydrophobicContact CB-CD1 4.27Å; V44-L62 HydrophobicContact CG2-CD1 3.71Å; L47-L62 HydrophobicContact CD2-CD1 4.32Å; L47-L62 HydrophobicContact CD2-CD2 4.21Å; L47-L62 HydrophobicContact CD2-CG 3.82Å; A58-L62 WeakPolarHBondContact O-CB 3.45Å; A58-L62 WeakPolarHBondContact O-CG 3.07Å; A58-L62 PolarHBondContact O-N 3.32Å; A59-L62 PolarHBondContact O-N 3.15Å; E60-L62 PolarHBondContact O-N 3.36Å; L62-H64 PolarHBondContact O-N 2.82Å; L62-F65 PolarHBondContact O-N 3.21Å
63S89.6Confident85.4Confident67 Ų6791.7 Ų91.747%0.46948%0.478SS..Hα-helixtrans-61.6-30.317782.60000112.9A59 E60 V61A59-S63 WeakPolarHBondContact O-CB 3.4Å; A59-S63 PolarHBondContact O-N 2.89Å; E60-S63 WeakPolarHBondContact O-CB 3.35Å; E60-S63 PolarHBondContact O-N 2.74Å; E60-S63 VanDerWaalsContact O-N 3.15Å; E60-S63 PolarHBondContact O-OG 2.88Å; V61-S63 PolarHBondContact O-N 3.07Å
64H87.5Confident84.4Confident125 Ų12595 Ų9558%0.57950%0.495SS*.Hα-helixtrans-80.2-14.2175.3-61.2159.5000113.7E60 V61 L62E60-H64 PolarHBondContact O-N 3.03Å; V61-H64 PolarHBondContact O-N 3.08Å; V61-H64 VanDerWaalsContact O-N 3.09Å; L62-H64 PolarHBondContact O-N 2.82Å
65F85.1Confident83.4Confident149 Ų14996.5 Ų96.565%0.65450%0.499SS*.THydrogen-bonded Turntrans-101.736.8-178-72.7-69.7000112.6V61 L62 P67V61-F65 HydrophobicContact CG1-CD2 3.87Å; V61-F65 HydrophobicContact CG1-CE2 3.6Å; V61-F65 WeakPolarHBondContact O-CD2 3.45Å; L62-F65 PolarHBondContact O-N 3.21Å; F65-P67 VanDerWaalsContact O-CD 3.26Å; F65-P67 WeakPolarHBondContact O-CD 3.47Å
66N81.1Confident82.4Confident73 Ų7394.6 Ų94.639%0.3949%0.492SS..  trans-78.4116.9175.5-172.7-12.9000111S68 E69N66-S68 PolarHBondContact ND2-OG 3Å; N66-S68 PolarHBondContact O-N 2.69Å; N66-S68 PolarHBondContact OD1-N 2.95Å; N66-S68 PolarHBondContact OD1-OG 3.15Å; N66-E69 HydrophobicContact CB-CG 4.16Å; N66-E69 WeakPolarHBondContact O-CB 3.42Å; N66-E69 PolarHBondContact O-N 3.39Å
67P80.4Confident81.4Confident94 Ų9496.2 Ų96.261%0.6149%0.493SS*.THydrogen-bonded Turntrans-59.1-19180-24.335.2000114.3F65 E69F65-P67 VanDerWaalsContact O-CD 3.26Å; F65-P67 WeakPolarHBondContact O-CD 3.47Å; P67-E69 VanDerWaalsContact C-N 3.31Å
68S77.6Confident80.4Confident59 Ų5993.3 Ų93.341%0.41349%0.485SS..THydrogen-bonded Turntrans-71.5-23.7173.557.50000113.7N66 L70 R71N66-S68 PolarHBondContact ND2-OG 3Å; N66-S68 PolarHBondContact O-N 2.69Å; N66-S68 PolarHBondContact OD1-N 2.95Å; N66-S68 PolarHBondContact OD1-OG 3.15Å; S68-L70 VanDerWaalsContact C-N 3.32Å; S68-R71 PolarHBondContact O-N 3.05Å
69E78.9Confident79.5Confident135 Ų135103.5 Ų103.563%0.63153%0.529SS*.THydrogen-bonded Turntrans-76.6-19.7176.8-65.9-173.2-172.700113N66 P67 R71N66-E69 HydrophobicContact CB-CG 4.16Å; N66-E69 WeakPolarHBondContact O-CB 3.42Å; N66-E69 PolarHBondContact O-N 3.39Å; P67-E69 VanDerWaalsContact C-N 3.31Å; E69-R71 PolarHBondContact O-N 2.98Å
70L75.8Confident78.6Confident155 Ų155105.5 Ų105.581%0.81253%0.534SS*.THydrogen-bonded Turntrans-68.1-11.5172.1-65.3174.7000112.9S68S68-L70 VanDerWaalsContact C-N 3.32Å
71R71.2Confident77.5Confident113 Ų113109.3 Ų109.343%0.42654%0.543SS..SBendtrans-98.5131.3-178.4-63-173.3179.9163.16.3110.1S68 E69 D75 L76S68-R71 PolarHBondContact O-N 3.05Å; E69-R71 PolarHBondContact O-N 2.98Å; R71-D75 HydrophobicContact CB-CB 4.2Å; R71-L76 HydrophobicContact CB-CD2 3.99Å; R71-L76 HydrophobicContact CB-CG 4.03Å
72C72.1Confident76.7Confident64 Ų64114.1 Ų114.143%0.43257%0.567SS.*  trans-78161.4170.874.40000110.8K74 D75 L76C72-K74 PolarHBondContact O-N 2.93Å; C72-D75 PolarHBondContact N-OD2 2.99Å; C72-D75 VanDerWaalsContact N-OD2 3.07Å; C72-D75 WeakPolarHBondContact O-CB 3.22Å; C72-D75 PolarHBondContact O-N 2.91Å; C72-D75 PolarHBondContact SG-OD2 3.31Å; C72-L76 PolarHBondContact O-N 2.67Å
73D73.2Confident75.7Confident118 Ų118118.1 Ų118.163%0.63159%0.585SS**Hα-helixtrans-52.4-29177.3-74-17.4000113.4K77D73-K77 WeakPolarHBondContact O-CB 3.11Å; D73-K77 WeakPolarHBondContact O-CD 3.42Å; D73-K77 VanDerWaalsContact O-CG 3.23Å; D73-K77 WeakPolarHBondContact O-CG 3.44Å; D73-K77 PolarHBondContact O-N 3.46Å
74K70.7Confident74.9Confident168 Ų168116.8 Ų116.873%0.7357%0.573SS**Hα-helixtrans-70.3-42176.1-66.5-177.9177.3178.90111.7C72 L76 K77 A78C72-K74 PolarHBondContact O-N 2.93Å; K74-L76 VanDerWaalsContact C-N 3.33Å; K74-L76 PolarHBondContact O-N 3.15Å; K74-K77 PolarHBondContact O-N 3.12Å; K74-A78 PolarHBondContact O-N 3.1Å
75D69.9Low74.1Confident87 Ų87113.3 Ų113.347%0.46556%0.562SS.*Hα-helixtrans-66.3-37.9179.3-56.7-32.8000111.4R71 C72 K77 A78R71-D75 HydrophobicContact CB-CB 4.2Å; C72-D75 PolarHBondContact N-OD2 2.99Å; C72-D75 VanDerWaalsContact N-OD2 3.07Å; C72-D75 WeakPolarHBondContact O-CB 3.22Å; C72-D75 PolarHBondContact O-N 2.91Å; C72-D75 PolarHBondContact SG-OD2 3.31Å; D75-K77 VanDerWaalsContact C-N 3.28Å; D75-K77 PolarHBondContact O-N 3.42Å; D75-A78 PolarHBondContact O-N 3.23Å
76L71.1Confident73.6Confident100 Ų100115.3 Ų115.352%0.52457%0.573SS.*Hα-helixtrans-67.9-28176.7-66.3175000112.6R71 C72 K74R71-L76 HydrophobicContact CB-CD2 3.99Å; R71-L76 HydrophobicContact CB-CG 4.03Å; C72-L76 PolarHBondContact O-N 2.67Å; K74-L76 VanDerWaalsContact C-N 3.33Å; K74-L76 PolarHBondContact O-N 3.15Å
77K74.2Confident73.5Confident168 Ų168117.1 Ų117.173%0.7359%0.587SS**Hα-helixtrans-89.5-14.1177.8-70.1173-170.7174.30113.6D73 K74 D75 K79D73-K77 WeakPolarHBondContact O-CB 3.11Å; D73-K77 WeakPolarHBondContact O-CD 3.42Å; D73-K77 VanDerWaalsContact O-CG 3.23Å; D73-K77 WeakPolarHBondContact O-CG 3.44Å; D73-K77 PolarHBondContact O-N 3.46Å; K74-K77 PolarHBondContact O-N 3.12Å; D75-K77 VanDerWaalsContact C-N 3.28Å; D75-K77 PolarHBondContact O-N 3.42Å; K77-K79 PolarHBondContact O-N 3.17Å
78A71Confident73.3Confident35 Ų35114.7 Ų114.729%0.28957%0.571SS.*  trans-64124.9179.800000110.5K74 D75 N80K74-A78 PolarHBondContact O-N 3.1Å; D75-A78 PolarHBondContact O-N 3.23Å; A78-N80 PolarHBondContact O-N 3.42Å
79K74.1Confident73.6Confident214 Ų214118.1 Ų118.193%0.9358%0.583SS**SBendtrans-65.2-32.2176.4-74.8-176.7179177.60111.5K77K77-K79 PolarHBondContact O-N 3.17Å
80N74Confident73.8Confident86 Ų86116.2 Ų116.246%0.4658%0.577SS.*SBendtrans-120.6120177.2-175.8-1.7000109.5A78 L82 E83A78-N80 PolarHBondContact O-N 3.42Å; N80-L82 PolarHBondContact O-N 2.99Å; N80-L82 VanDerWaalsContact O-N 3.1Å; N80-L82 WeakPolarHBondContact OD1-CB 3.21Å; N80-L82 PolarHBondContact OD1-N 3.39Å; N80-E83 HydrophobicContact CB-CB 4.34Å; N80-E83 VanDerWaalsContact O-CB 3.23Å; N80-E83 WeakPolarHBondContact O-CB 3.02Å; N80-E83 PolarHBondContact O-N 3.24Å
81R70Confident74.3Confident201 Ų201114.7 Ų114.776%0.75857%0.566SS**THydrogen-bonded Turntrans-65.1-11.9177.5-64.4-178.2179.2172.51.3113.6
82L72.8Confident74.7Confident142 Ų142112.9 Ų112.974%0.74357%0.57SS**THydrogen-bonded Turntrans-100.78.3177.4-56175.6000112.7N80 V84N80-L82 PolarHBondContact O-N 2.99Å; N80-L82 VanDerWaalsContact O-N 3.1Å; N80-L82 WeakPolarHBondContact OD1-CB 3.21Å; N80-L82 PolarHBondContact OD1-N 3.39Å; L82-V84 PolarHBondContact O-N 2.66Å
83E70.4Confident75Confident128 Ų128111.8 Ų111.860%0.59856%0.559SS**PPolyproline II helixtrans-71.6121.5177.8-166.5167.4-170.800110N80N80-E83 HydrophobicContact CB-CB 4.34Å; N80-E83 VanDerWaalsContact O-CB 3.23Å; N80-E83 WeakPolarHBondContact O-CB 3.02Å; N80-E83 PolarHBondContact O-N 3.24Å
84V71.1Confident75.2Confident38 Ų38112.5 Ų112.523%0.2355%0.553CS.*PPolyproline II helixtrans-84132.3176.9-179.90000107.2L82 E86 I96L82-V84 PolarHBondContact O-N 2.66Å; V84-E86 PolarHBondContact O-N 3.15Å; V84-I96 HydrophobicContact CG1-CB 4.33Å; V84-I96 HydrophobicContact CG1-CD1 4.26Å; V84-I96 HydrophobicContact CG1-CG2 4.49Å; V84-I96 HydrophobicContact CG2-CB 4.39Å; V84-I96 HydrophobicContact CG2-CD1 4.17Å; V84-I96 HydrophobicContact CG2-CG2 3.72Å
85P71.7Confident75.3Confident52 Ų52106.7 Ų106.734%0.33853%0.532SS..PPolyproline II helixtrans-54.8134.6176.6-23.832.4000111.2V87P85-V87 WeakPolarHBondContact CB-O 3.22Å; P85-V87 PolarHBondContact O-N 3.16Å; P85-V87 VanDerWaalsContact O-N 3.16Å
86E74.1Confident75.2Confident191 Ų191104.8 Ų104.889%0.89352%0.522SS*.SBendtrans-56.9-31.9177.2-67.6-174.9163.900112.3V84V84-E86 PolarHBondContact O-N 3.15Å
87V80.2Confident74.8Confident111 Ų111102.6 Ų102.667%0.67351%0.513SS*.SBendtrans-105.5113.3173.4-176.80000108.8P85 I89P85-V87 WeakPolarHBondContact CB-O 3.22Å; P85-V87 PolarHBondContact O-N 3.16Å; P85-V87 VanDerWaalsContact O-N 3.16Å; V87-I89 PolarHBondContact O-N 3.31Å; V87-I89 VanDerWaalsContact O-N 3.09Å
88P75.8Confident74.1Confident44 Ų44100.7 Ų100.729%0.28651%0.505SS..  trans-59.5112.1177.8-25.634.9000112H93 R94P88-H93 HydrophobicContact CB-CB 3.78Å; P88-R94 HydrophobicContact CB-CB 4.32Å; P88-R94 HydrophobicContact CB-CG 3.51Å; P88-R94 HydrophobicContact CG-CG 4.01Å
89I83Confident73.5Confident130 Ų130105 Ų10567%0.66752%0.519SS*.SBendtrans-82.2-35.5174.8-56.1172.6000110.6V87V87-I89 PolarHBondContact O-N 3.31Å; V87-I89 VanDerWaalsContact O-N 3.09Å
90L84.3Confident72.6Confident95 Ų95102.1 Ų102.150%0.49751%0.506SS..SBendtrans-105.8150.8178.2-59.1178.7000110.3S92 H93L90-S92 WeakPolarHBondContact CB-OG 3.19Å; L90-S92 PolarHBondContact O-N 3.37Å; L90-H93 WeakPolarHBondContact O-CB 3.43Å; L90-H93 PolarHBondContact O-N 3.05Å
91E84.9Confident71.5Confident124 Ų124103 Ų10358%0.57952%0.515SS*.G310 helixtrans-55.7-36.3172.3-69.6-61.9153.900111.5H93 R94 P95E91-H93 PolarHBondContact O-N 3.41Å; E91-R94 WeakPolarHBondContact O-CB 3.47Å; E91-R94 PolarHBondContact O-N 2.92Å; E91-R94 IonicContact OE1-CZ 2.89Å; E91-R94 IonicContact OE1-NE 3.76Å; E91-R94 IonicContact OE1-NH1 2.79Å; E91-R94 PolarHBondContact OE1-NH1 3.08Å; E91-R94 IonicContact OE1-NH2 2.75Å; E91-R94 PolarHBondContact OE1-NH2 3.27Å; E91-R94 WeakPolarHBondContact OE2-CD 3.36Å; E91-R94 IonicContact OE2-CZ 3.09Å; E91-R94 IonicContact OE2-NE 3.43Å; E91-R94 PolarHBondContact OE2-NE 3.12Å; E91-R94 IonicContact OE2-NH1 2.67Å; E91-R94 PolarHBondContact OE2-NH1 3.34Å; E91-R94 IonicContact OE2-NH2 3.79Å; E91-P95 WeakPolarHBondContact O-CD 3.44Å
92S80.3Confident70.6Confident75 Ų7596.3 Ų96.352%0.52451%0.508SS..G310 helixtrans-65-21.4175.756.50000114.2L90 P95L90-S92 WeakPolarHBondContact CB-OG 3.19Å; L90-S92 PolarHBondContact O-N 3.37Å; S92-P95 WeakPolarHBondContact O-CD 3.46Å
93H78.9Confident69.5Low41 Ų4194.9 Ų94.919%0.1950%0.501CS..G310 helixtrans-81.3-23.8176.7-64.6179.2000112.3P88 L90 E91 I96 P97P88-H93 HydrophobicContact CB-CB 3.78Å; L90-H93 WeakPolarHBondContact O-CB 3.43Å; L90-H93 PolarHBondContact O-N 3.05Å; E91-H93 PolarHBondContact O-N 3.41Å; H93-I96 PolarHBondContact O-N 3.22Å; H93-P97 WeakPolarHBondContact O-CD 3.07Å
94R76.2Confident68.7Low133 Ų13396.6 Ų96.650%0.50252%0.515SS..SBendtrans-60.9-39.5-175.8-66.7-176-178.9165.76.9114.9P88 E91P88-R94 HydrophobicContact CB-CB 4.32Å; P88-R94 HydrophobicContact CB-CG 3.51Å; P88-R94 HydrophobicContact CG-CG 4.01Å; E91-R94 WeakPolarHBondContact O-CB 3.47Å; E91-R94 PolarHBondContact O-N 2.92Å; E91-R94 IonicContact OE1-CZ 2.89Å; E91-R94 IonicContact OE1-NE 3.76Å; E91-R94 IonicContact OE1-NH1 2.79Å; E91-R94 PolarHBondContact OE1-NH1 3.08Å; E91-R94 IonicContact OE1-NH2 2.75Å; E91-R94 PolarHBondContact OE1-NH2 3.27Å; E91-R94 WeakPolarHBondContact OE2-CD 3.36Å; E91-R94 IonicContact OE2-CZ 3.09Å; E91-R94 IonicContact OE2-NE 3.43Å; E91-R94 PolarHBondContact OE2-NE 3.12Å; E91-R94 IonicContact OE2-NH1 2.67Å; E91-R94 PolarHBondContact OE2-NH1 3.34Å; E91-R94 IonicContact OE2-NH2 3.79Å
95P72.6Confident67.8Low46 Ų4697.1 Ų97.130%0.29952%0.516SS..SBendtrans-77.3-24.8178.427.9-33.4000113.5E91 S92 K98 E99E91-P95 WeakPolarHBondContact O-CD 3.44Å; S92-P95 WeakPolarHBondContact O-CD 3.46Å; P95-K98 WeakPolarHBondContact O-CA 3.46Å; P95-K98 WeakPolarHBondContact O-CB 3.29Å; P95-K98 PolarHBondContact O-N 3.39Å; P95-E99 PolarHBondContact O-N 2.99Å
96I68.2Low67Low47 Ų47100.2 Ų100.224%0.24154%0.536CS..Hα-helixtrans-60.8-43.7-170.6-50.9171.3000113.4V84 H93 K98 E99 K100V84-I96 HydrophobicContact CG1-CB 4.33Å; V84-I96 HydrophobicContact CG1-CD1 4.26Å; V84-I96 HydrophobicContact CG1-CG2 4.49Å; V84-I96 HydrophobicContact CG2-CB 4.39Å; V84-I96 HydrophobicContact CG2-CD1 4.17Å; V84-I96 HydrophobicContact CG2-CG2 3.72Å; H93-I96 PolarHBondContact O-N 3.22Å; I96-K98 VanDerWaalsContact C-N 3.26Å; I96-K98 PolarHBondContact O-N 2.83Å; I96-E99 PolarHBondContact O-N 3.14Å; I96-K100 PolarHBondContact O-N 3.13Å
97P63.5Low65.9Low54 Ų5497.7 Ų97.735%0.35153%0.529SS..Hα-helixtrans-61.7-34.6173.6-23.633.8000112.7H93 K100 V101H93-P97 WeakPolarHBondContact O-CD 3.07Å; P97-K100 PolarHBondContact O-N 3.28Å; P97-V101 VanDerWaalsContact O-CG2 3.26Å; P97-V101 WeakPolarHBondContact O-CG2 3.3Å; P97-V101 PolarHBondContact O-N 2.91Å
98K59.7Low64.6Low128 Ų12894.5 Ų94.556%0.55751%0.512SS*.Hα-helixtrans-69.7-41.2179.7-60.5-178.1176.8-177.50111.6P95 I96 K100 V101P95-K98 WeakPolarHBondContact O-CA 3.46Å; P95-K98 WeakPolarHBondContact O-CB 3.29Å; P95-K98 PolarHBondContact O-N 3.39Å; I96-K98 VanDerWaalsContact C-N 3.26Å; I96-K98 PolarHBondContact O-N 2.83Å; K98-K100 VanDerWaalsContact C-N 3.33Å; K98-K100 PolarHBondContact O-N 3.39Å; K98-V101 PolarHBondContact O-N 3.35Å
99E57.6Low63.4Low124 Ų12494.9 Ų94.958%0.57952%0.515SS*.Hα-helixtrans-62-38.5175.7-73.6177.2174.800112.3P95 I96 V101 G102P95-E99 PolarHBondContact O-N 2.99Å; I96-E99 PolarHBondContact O-N 3.14Å; E99-V101 VanDerWaalsContact C-N 3.33Å; E99-V101 PolarHBondContact O-N 3.14Å; E99-G102 PolarHBondContact O-N 3.38Å
100K55.8Low62Low154 Ų15493 Ų9367%0.6751%0.511SS*.Hα-helixtrans-71.4-25.5178.4-72.8-174.1-178.6178.70113.9I96 P97 K98 G102I96-K100 PolarHBondContact O-N 3.13Å; P97-K100 PolarHBondContact O-N 3.28Å; K98-K100 VanDerWaalsContact C-N 3.33Å; K98-K100 PolarHBondContact O-N 3.39Å; K100-G102 VanDerWaalsContact C-N 3.3Å
101V51.6Low60.4Low106 Ų10694.3 Ų94.364%0.64252%0.518SS*.Hα-helixtrans-86-4.7-177.8176.40000111.8P97 K98 E99 D103P97-V101 VanDerWaalsContact O-CG2 3.26Å; P97-V101 WeakPolarHBondContact O-CG2 3.3Å; P97-V101 PolarHBondContact O-N 2.91Å; K98-V101 PolarHBondContact O-N 3.35Å; E99-V101 VanDerWaalsContact C-N 3.33Å; E99-V101 PolarHBondContact O-N 3.14Å; V101-D103 PolarHBondContact O-N 2.89Å
102G50.7Low59Low60 Ų6093.4 Ų93.462%0.61952%0.517SS*.THydrogen-bonded Turntrans70.318.1178.600000113E99 K100 D104E99-G102 PolarHBondContact O-N 3.38Å; K100-G102 VanDerWaalsContact C-N 3.3Å; G102-D104 PolarHBondContact O-N 3.14Å
103D48.4Very low57.8Low111 Ų11192.8 Ų92.859%0.59451%0.508SS*.  trans-67.4124.9169.6-86.7-25.5000108.2V101 D105V101-D103 PolarHBondContact O-N 2.89Å; D103-D105 VanDerWaalsContact C-N 3.25Å; D103-D105 PolarHBondContact O-N 3.19Å
104D53.3Low56.8Low164 Ų16494.4 Ų94.488%0.87751%0.514SS*.  trans-56.183.3174-71.8-49.8000110G102 P106G102-D104 PolarHBondContact O-N 3.14Å; D104-P106 WeakPolarHBondContact O-CD 3.3Å; D104-P106 VanDerWaalsContact O-N 3.16Å
105D53.6Low55.9Low50 Ų5090 Ų9027%0.26750%0.502SS..  trans-68.2111170-176.7-1.9000107.6D103 N107 S108D103-D105 VanDerWaalsContact C-N 3.25Å; D103-D105 PolarHBondContact O-N 3.19Å; D105-N107 PolarHBondContact O-N 3.46Å; D105-N107 WeakPolarHBondContact OD1-CB 3.45Å; D105-N107 PolarHBondContact OD1-N 2.86Å; D105-S108 PolarHBondContact O-N 2.73Å; D105-S108 PolarHBondContact O-OG 3.34Å
106P53.5Low55.4Low117 Ų11793.7 Ų93.776%0.7652%0.515SS*.THydrogen-bonded Turntrans-62.9-12.4178.827.5-34.8000113D104D104-P106 WeakPolarHBondContact O-CD 3.3Å; D104-P106 VanDerWaalsContact O-N 3.16Å
107N51.3Low55.3Low138 Ų13899.6 Ų99.674%0.73854%0.535SS*.THydrogen-bonded Turntrans-102-6.5177.3-61.8-46.2000114.3D105 S109D105-N107 PolarHBondContact O-N 3.46Å; D105-N107 WeakPolarHBondContact OD1-CB 3.45Å; D105-N107 PolarHBondContact OD1-N 2.86Å; N107-S109 PolarHBondContact O-N 3.39Å; N107-S109 VanDerWaalsContact O-N 3.08Å
108S53.3Low55.9Low44 Ų4498.6 Ų98.631%0.30852%0.524SS..SBendtrans-62.8114.916866.20000107.3D105 P110D105-S108 PolarHBondContact O-N 2.73Å; D105-S108 PolarHBondContact O-OG 3.34Å; S108-P110 WeakPolarHBondContact O-CD 3.34Å
109S51.5Low57.1Low52 Ų5293.6 Ų93.636%0.36450%0.503SS..  trans-64.9110.3-178.3174.40000107.8N107 L111 L112 D113N107-S109 PolarHBondContact O-N 3.39Å; N107-S109 VanDerWaalsContact O-N 3.08Å; S109-L111 PolarHBondContact O-N 3.42Å; S109-L112 PolarHBondContact O-N 3.27Å; S109-D113 PolarHBondContact O-N 2.92Å
110P52.5Low58.5Low89 Ų8990.5 Ų90.558%0.57849%0.49SS*.Hα-helixtrans-62.3-17.3-177-21.435.4000111.8S108 F114S108-P110 WeakPolarHBondContact O-CD 3.34Å; P110-F114 WeakPolarHBondContact O-CB 3.42Å; P110-F114 PolarHBondContact O-N 3.15Å; P110-F114 VanDerWaalsContact O-N 3.08Å
111L50.6Low59.9Low124 Ų12490 Ų9065%0.64949%0.485SS*.Hα-helixtrans-71.5-43.5175.7-163.298.4000112.1S109 F114 V115S109-L111 PolarHBondContact O-N 3.42Å; L111-F114 PolarHBondContact O-N 3.24Å; L111-V115 WeakPolarHBondContact O-CB 3.41Å; L111-V115 WeakPolarHBondContact O-CG2 3.43Å; L111-V115 PolarHBondContact O-N 3.07Å
112L55.5Low61.5Low105 Ų10586.6 Ų86.655%0.5547%0.472SS..Hα-helixtrans-65.3-48.8178.8-84.5163.7000109.8S109 F114 V115 E116S109-L112 PolarHBondContact O-N 3.27Å; L112-F114 VanDerWaalsContact C-N 3.27Å; L112-F114 PolarHBondContact O-N 3.49Å; L112-V115 PolarHBondContact O-N 2.89Å; L112-V115 VanDerWaalsContact O-N 3.12Å; L112-E116 WeakPolarHBondContact O-CB 3.46Å; L112-E116 WeakPolarHBondContact O-CG 3.38Å; L112-E116 PolarHBondContact O-N 3.12Å
113D55.4Low63.4Low61 Ų6186.2 Ų86.233%0.32646%0.455SS..Hα-helixtrans-54.4-43173.8-104.441.1000112.4S109 R117S109-D113 PolarHBondContact O-N 2.92Å; D113-R117 VanDerWaalsContact O-CB 3.22Å; D113-R117 WeakPolarHBondContact O-CB 3.48Å; D113-R117 WeakPolarHBondContact O-CD 3.18Å; D113-R117 WeakPolarHBondContact O-CG 3.38Å; D113-R117 PolarHBondContact O-N 3.41Å; D113-R117 IonicContact OD2-CZ 3.58Å; D113-R117 IonicContact OD2-NE 2.82Å; D113-R117 IonicContact OD2-NH2 3.49Å; D113-R117 PolarHBondContact OD2-NH2 3.34Å
114F58.1Low65.4Low76 Ų7681.9 Ų81.933%0.33343%0.432SS..Hα-helixtrans-68.2-41.3178.6-178.5-93.2000112.8P110 L111 L112 R118 R172P110-F114 WeakPolarHBondContact O-CB 3.42Å; P110-F114 PolarHBondContact O-N 3.15Å; P110-F114 VanDerWaalsContact O-N 3.08Å; L111-F114 PolarHBondContact O-N 3.24Å; L112-F114 VanDerWaalsContact C-N 3.27Å; L112-F114 PolarHBondContact O-N 3.49Å; F114-R118 HydrophobicContact CD1-CG 4.5Å; F114-R118 HydrophobicContact CE1-CG 4.29Å; F114-R118 VanDerWaalsContact CZ-NH2 3.32Å; F114-R118 WeakPolarHBondContact O-CG 3.41Å; F114-R118 PolarHBondContact O-N 3.33Å; F114-R172 HydrophobicContact CZ-CG 4.47Å
115V57.6Low67Low40 Ų4076 Ų7624%0.24240%0.404CS..Hα-helixtrans-69.1-47.1179.4172.70000110.4L111 L112 R117 R118 I119 I173L111-V115 WeakPolarHBondContact O-CB 3.41Å; L111-V115 WeakPolarHBondContact O-CG2 3.43Å; L111-V115 PolarHBondContact O-N 3.07Å; L112-V115 PolarHBondContact O-N 2.89Å; L112-V115 VanDerWaalsContact O-N 3.12Å; V115-R117 VanDerWaalsContact C-N 3.29Å; V115-R117 PolarHBondContact O-N 2.96Å; V115-R118 WeakPolarHBondContact O-CA 3.24Å; V115-R118 WeakPolarHBondContact O-CB 3.33Å; V115-R118 PolarHBondContact O-N 3.15Å; V115-I119 HydrophobicContact CG1-CD1 3.76Å; V115-I119 PolarHBondContact O-N 2.75Å; V115-I173 HydrophobicContact CG2-CD1 3.93Å
116E61.6Low68.8Low123 Ų12376 Ų7658%0.57541%0.408SS*.Hα-helixtrans-62.2-37.3178.1-71.8-173.8176.200111.9L112 R118 I119L112-E116 WeakPolarHBondContact O-CB 3.46Å; L112-E116 WeakPolarHBondContact O-CG 3.38Å; L112-E116 PolarHBondContact O-N 3.12Å; E116-R118 PolarHBondContact O-N 3.09Å; E116-I119 PolarHBondContact O-N 3.31Å
117R67.3Low70.6Confident172 Ų17272.9 Ų72.965%0.64938%0.381SS*.THydrogen-bonded Turntrans-68.4-13.9174-71.5169.4-164.8-164.86.6113.7D113 V115 K318D113-R117 VanDerWaalsContact O-CB 3.22Å; D113-R117 WeakPolarHBondContact O-CB 3.48Å; D113-R117 WeakPolarHBondContact O-CD 3.18Å; D113-R117 WeakPolarHBondContact O-CG 3.38Å; D113-R117 PolarHBondContact O-N 3.41Å; D113-R117 IonicContact OD2-CZ 3.58Å; D113-R117 IonicContact OD2-NE 2.82Å; D113-R117 IonicContact OD2-NH2 3.49Å; D113-R117 PolarHBondContact OD2-NH2 3.34Å; V115-R117 VanDerWaalsContact C-N 3.29Å; V115-R117 PolarHBondContact O-N 2.96Å; R117-K318 WeakPolarHBondContact O-CB 3.44Å; R117-K318 WeakPolarHBondContact O-CD 3.23Å
118R75.4Confident72.2Confident33 Ų3370.5 Ų70.513%0.12536%0.362CS..THydrogen-bonded Turntrans-102.5-9.4-179.4-73.8-77.8178.485-2.3113.6F114 V115 E116 I173 T317 K318F114-R118 HydrophobicContact CD1-CG 4.5Å; F114-R118 HydrophobicContact CE1-CG 4.29Å; F114-R118 VanDerWaalsContact CZ-NH2 3.32Å; F114-R118 WeakPolarHBondContact O-CG 3.41Å; F114-R118 PolarHBondContact O-N 3.33Å; V115-R118 WeakPolarHBondContact O-CA 3.24Å; V115-R118 WeakPolarHBondContact O-CB 3.33Å; V115-R118 PolarHBondContact O-N 3.15Å; E116-R118 PolarHBondContact O-N 3.09Å; R118-I173 PolarHBondContact NH1-O 2.75Å; R118-T317 CarbonylContact O-C 3.57Å; R118-T317 WeakPolarHBondContact O-CA 3.46Å; R118-T317 VanDerWaalsContact O-CG2 3.24Å; R118-T317 WeakPolarHBondContact O-CG2 3.47Å; R118-K318 PolarHBondContact O-N 3.25Å
119I84.3Confident73.8Confident23 Ų2376.3 Ų76.312%0.11838%0.377CS..BIsolated β-bridgetrans-107.6128.3179.8-60.9173000109.4V115 E116 Y121 V176 F316V115-I119 HydrophobicContact CG1-CD1 3.76Å; V115-I119 PolarHBondContact O-N 2.75Å; E116-I119 PolarHBondContact O-N 3.31Å; I119-Y121 HydrophobicContact CB-CD2 4.21Å; I119-Y121 HydrophobicContact CB-CE2 3.83Å; I119-Y121 HydrophobicContact CD1-CE2 4.41Å; I119-Y121 HydrophobicContact CG2-CD1 4.1Å; I119-Y121 HydrophobicContact CG2-CD2 3.72Å; I119-Y121 HydrophobicContact CG2-CE1 3.88Å; I119-Y121 HydrophobicContact CG2-CE2 3.47Å; I119-Y121 VanDerWaalsContact CG2-CE2 3.47Å; I119-Y121 HydrophobicContact CG2-CG 4.02Å; I119-Y121 PolarHBondContact O-N 2.79Å; I119-V176 HydrophobicContact CG1-CG2 4.15Å; I119-F316 HydrophobicContact CG2-CD2 3.56Å; I119-F316 HydrophobicContact CG2-CE2 3.46Å; I119-F316 VanDerWaalsContact CG2-CE2 3.46Å
120D86.4Confident75.5Confident58 Ų5878.2 Ų78.231%0.3138%0.382SS..  trans-96.575.1176.3-163.6-13.4000111G122 L123 L124 F316 K318D120-G122 PolarHBondContact O-N 3.08Å; D120-G122 WeakPolarHBondContact OD1-CA 3.38Å; D120-G122 PolarHBondContact OD1-N 2.93Å; D120-G122 VanDerWaalsContact OD1-N 3.1Å; D120-L123 HydrophobicContact CB-CB 4.01Å; D120-L123 WeakPolarHBondContact O-CB 3.25Å; D120-L123 PolarHBondContact O-N 2.98Å; D120-L123 VanDerWaalsContact O-N 3.12Å; D120-L123 PolarHBondContact OD1-N 2.82Å; D120-L124 PolarHBondContact O-N 2.77Å; D120-F316 PolarHBondContact N-O 3.48Å; D120-K318 HydrophobicContact CB-CB 4.27Å
121Y85.3Confident77Confident144 Ų14475 Ų7557%0.56536%0.363SS*.Hα-helixtrans-61-23.8171-66.9-72.5000112.3I119 L123 L124 S125I119-Y121 HydrophobicContact CB-CD2 4.21Å; I119-Y121 HydrophobicContact CB-CE2 3.83Å; I119-Y121 HydrophobicContact CD1-CE2 4.41Å; I119-Y121 HydrophobicContact CG2-CD1 4.1Å; I119-Y121 HydrophobicContact CG2-CD2 3.72Å; I119-Y121 HydrophobicContact CG2-CE1 3.88Å; I119-Y121 HydrophobicContact CG2-CE2 3.47Å; I119-Y121 VanDerWaalsContact CG2-CE2 3.47Å; I119-Y121 HydrophobicContact CG2-CG 4.02Å; I119-Y121 PolarHBondContact O-N 2.79Å; Y121-L123 VanDerWaalsContact C-N 3.34Å; Y121-L124 HydrophobicContact CD1-CD1 4.45Å; Y121-L124 PolarHBondContact O-N 2.79Å; Y121-S125 PolarHBondContact O-N 3.33Å
122G86.8Confident78.5Confident35 Ų3577.3 Ų77.336%0.36137%0.368SS..Hα-helixtrans-63.5-39.7173.700000112D120 S125 S126D120-G122 PolarHBondContact O-N 3.08Å; D120-G122 WeakPolarHBondContact OD1-CA 3.38Å; D120-G122 PolarHBondContact OD1-N 2.93Å; D120-G122 VanDerWaalsContact OD1-N 3.1Å; G122-S125 PolarHBondContact O-N 3.22Å; G122-S125 PolarHBondContact O-OG 2.95Å; G122-S126 PolarHBondContact O-N 3.34Å; G122-S126 PolarHBondContact O-OG 3Å
123L89.9Confident79.7Confident52 Ų5280.4 Ų80.427%0.27238%0.379SS..Hα-helixtrans-61.2-49.1173.7-177.366.2000111.6D120 Y121 S125 S126 Y127 D315 F316D120-L123 HydrophobicContact CB-CB 4.01Å; D120-L123 WeakPolarHBondContact O-CB 3.25Å; D120-L123 PolarHBondContact O-N 2.98Å; D120-L123 VanDerWaalsContact O-N 3.12Å; D120-L123 PolarHBondContact OD1-N 2.82Å; Y121-L123 VanDerWaalsContact C-N 3.34Å; L123-S125 VanDerWaalsContact C-N 3.27Å; L123-S125 PolarHBondContact O-N 3.48Å; L123-S126 WeakPolarHBondContact O-CA 3.43Å; L123-S126 VanDerWaalsContact O-CB 3.3Å; L123-S126 WeakPolarHBondContact O-CB 3.38Å; L123-S126 PolarHBondContact O-N 2.79Å; L123-Y127 HydrophobicContact CD1-CE2 3.95Å; L123-Y127 HydrophobicContact CD2-CE2 4.08Å; L123-Y127 HydrophobicContact CG-CD2 4.17Å; L123-Y127 HydrophobicContact CG-CE2 3.67Å; L123-Y127 WeakPolarHBondContact O-CD2 3.22Å; L123-Y127 PolarHBondContact O-N 3.27Å; L123-Y127 VanDerWaalsContact O-N 3.09Å; L123-D315 WeakPolarHBondContact CD2-O 3.37Å; L123-F316 HydrophobicContact CD2-CB 4.08Å
124L89.8Confident80.7Confident19 Ų1979.3 Ų79.310%0.09938%0.382CS..Hα-helixtrans-58.1-41.4176.3-63-174.8000111.6D120 Y121 S126 Y127 R128 L178 P306 I314 F316D120-L124 PolarHBondContact O-N 2.77Å; Y121-L124 HydrophobicContact CD1-CD1 4.45Å; Y121-L124 PolarHBondContact O-N 2.79Å; L124-S126 PolarHBondContact O-N 2.87Å; L124-Y127 PolarHBondContact O-N 2.68Å; L124-R128 WeakPolarHBondContact O-CG 3.35Å; L124-R128 PolarHBondContact O-N 2.78Å; L124-R128 VanDerWaalsContact O-N 3.15Å; L124-L178 HydrophobicContact CD1-CD1 4.31Å; L124-L178 HydrophobicContact CD2-CD1 3.74Å; L124-P306 HydrophobicContact CD2-CG 4.27Å; L124-I314 HydrophobicContact CD2-CG2 4.14Å; L124-F316 HydrophobicContact CD1-CD2 3.61Å; L124-F316 HydrophobicContact CD1-CE2 3.77Å; L124-F316 HydrophobicContact CD1-CG 4.13Å; L124-F316 HydrophobicContact CD1-CZ 4.42Å; L124-F316 HydrophobicContact CD2-CB 3.89Å; L124-F316 HydrophobicContact CD2-CD1 4.37Å; L124-F316 HydrophobicContact CD2-CD2 4.26Å; L124-F316 HydrophobicContact CD2-CG 3.94Å; L124-F316 HydrophobicContact CG-CB 4.08Å; L124-F316 HydrophobicContact CG-CD2 3.88Å; L124-F316 HydrophobicContact CG-CG 4.05Å
125S88Confident81.9Confident42 Ų4285.9 Ų85.929%0.29441%0.411SS..Hα-helixtrans-63.8-30.1175.382.80000113.2Y121 G122 L123 R128 R129Y121-S125 PolarHBondContact O-N 3.33Å; G122-S125 PolarHBondContact O-N 3.22Å; G122-S125 PolarHBondContact O-OG 2.95Å; L123-S125 VanDerWaalsContact C-N 3.27Å; L123-S125 PolarHBondContact O-N 3.48Å; S125-R128 WeakPolarHBondContact O-CB 3.31Å; S125-R128 PolarHBondContact O-N 2.99Å; S125-R129 WeakPolarHBondContact O-CG 3.33Å; S125-R129 PolarHBondContact O-N 2.84Å; S125-R129 VanDerWaalsContact O-N 3.12Å
126S90.7Very high83.4Confident50 Ų5085.9 Ų85.935%0.3541%0.409SS..Hα-helixtrans-71.1-42.6177.2-58.30000111.1G122 L123 L124 R128 R129 I130G122-S126 PolarHBondContact O-N 3.34Å; G122-S126 PolarHBondContact O-OG 3Å; L123-S126 WeakPolarHBondContact O-CA 3.43Å; L123-S126 VanDerWaalsContact O-CB 3.3Å; L123-S126 WeakPolarHBondContact O-CB 3.38Å; L123-S126 PolarHBondContact O-N 2.79Å; L124-S126 PolarHBondContact O-N 2.87Å; S126-R128 VanDerWaalsContact C-N 3.31Å; S126-R128 PolarHBondContact O-N 3.45Å; S126-R129 PolarHBondContact O-N 3.06Å; S126-R129 VanDerWaalsContact O-N 3.17Å; S126-I130 VanDerWaalsContact O-CG1 3.29Å; S126-I130 WeakPolarHBondContact O-CG1 3.29Å; S126-I130 PolarHBondContact O-N 3.4Å
127Y90.6Very high84.8Confident50 Ų5083.3 Ų83.320%0.19640%0.403CS..Hα-helixtrans-58.4-42.2171.9-73.6-64.3000112.4L123 L124 R129 I130 A131 P306 W311 I314L123-Y127 HydrophobicContact CD1-CE2 3.95Å; L123-Y127 HydrophobicContact CD2-CE2 4.08Å; L123-Y127 HydrophobicContact CG-CD2 4.17Å; L123-Y127 HydrophobicContact CG-CE2 3.67Å; L123-Y127 WeakPolarHBondContact O-CD2 3.22Å; L123-Y127 PolarHBondContact O-N 3.27Å; L123-Y127 VanDerWaalsContact O-N 3.09Å; L124-Y127 PolarHBondContact O-N 2.68Å; Y127-R129 VanDerWaalsContact C-N 3.34Å; Y127-R129 PolarHBondContact O-N 2.92Å; Y127-I130 PolarHBondContact O-N 2.96Å; Y127-A131 WeakPolarHBondContact O-CB 3.35Å; Y127-A131 PolarHBondContact O-N 3.05Å; Y127-P306 HydrophobicContact CD2-CG 4.29Å; Y127-P306 HydrophobicContact CG-CB 4.2Å; Y127-P306 HydrophobicContact CG-CG 4.26Å; Y127-W311 AromaticContact CD1-CD2 3.5Å; Y127-W311 HydrophobicContact CD1-CD2 3.5Å; Y127-W311 VanDerWaalsContact CD1-CD2 3.5Å; Y127-W311 AromaticContact CD1-CE3 3.24Å; Y127-W311 HydrophobicContact CD1-CE3 3.24Å; Y127-W311 HydrophobicContact CD1-CG 4.14Å; Y127-W311 HydrophobicContact CD1-CH2 4.06Å; Y127-W311 HydrophobicContact CD1-CZ2 4.31Å; Y127-W311 AromaticContact CD1-CZ3 3.54Å; Y127-W311 HydrophobicContact CD1-CZ3 3.54Å; Y127-W311 HydrophobicContact CE1-CB 4.12Å; Y127-W311 AromaticContact CE1-CD2 3.68Å; Y127-W311 HydrophobicContact CE1-CD2 3.68Å; Y127-W311 AromaticContact CE1-CE3 3.89Å; Y127-W311 HydrophobicContact CE1-CE3 3.89Å; Y127-W311 AromaticContact CE1-CG 3.83Å; Y127-W311 HydrophobicContact CE1-CG 3.83Å; Y127-W311 AromaticContact CG-CE3 3.94Å; Y127-W311 HydrophobicContact CG-CE3 3.94Å; Y127-W311 HydrophobicContact CG-CZ3 4.09Å; Y127-I314 HydrophobicContact CD2-CD1 4.42Å; Y127-I314 HydrophobicContact CD2-CG2 4.27Å; Y127-I314 HydrophobicContact CE2-CD1 4.36Å; Y127-I314 HydrophobicContact CE2-CG2 3.56Å
128R85.7Confident85.8Confident88 Ų8883.4 Ų83.433%0.33241%0.411SS..Hα-helixtrans-57.6-45.2174.4-67175-171-155.1-13.7112L124 S125 S126 A131 K132 E304L124-R128 WeakPolarHBondContact O-CG 3.35Å; L124-R128 PolarHBondContact O-N 2.78Å; L124-R128 VanDerWaalsContact O-N 3.15Å; S125-R128 WeakPolarHBondContact O-CB 3.31Å; S125-R128 PolarHBondContact O-N 2.99Å; S126-R128 VanDerWaalsContact C-N 3.31Å; S126-R128 PolarHBondContact O-N 3.45Å; R128-A131 PolarHBondContact O-N 2.63Å; R128-K132 WeakPolarHBondContact O-CG 3.4Å; R128-K132 PolarHBondContact O-N 3.25Å; R128-E304 WeakPolarHBondContact CD-O 3.3Å; R128-E304 WeakPolarHBondContact CG-O 3.38Å; R128-E304 IonicContact CZ-OE2 3.62Å; R128-E304 PolarHBondContact NE-O 2.85Å; R128-E304 IonicContact NH1-OE2 3.92Å; R128-E304 PolarHBondContact NH1-OE2 2.78Å; R128-E304 PolarHBondContact NH2-O 3.35Å; R128-E304 IonicContact NH2-OE2 2.72Å
129R87.4Confident86.7Confident167 Ų16785.9 Ų85.963%0.6344%0.438SS*.Hα-helixtrans-64.5-43.9177.8-70.4174.1-174177.83.1111.5S125 S126 Y127 A131 K132 H133S125-R129 WeakPolarHBondContact O-CG 3.33Å; S125-R129 PolarHBondContact O-N 2.84Å; S125-R129 VanDerWaalsContact O-N 3.12Å; S126-R129 PolarHBondContact O-N 3.06Å; S126-R129 VanDerWaalsContact O-N 3.17Å; Y127-R129 VanDerWaalsContact C-N 3.34Å; Y127-R129 PolarHBondContact O-N 2.92Å; R129-A131 VanDerWaalsContact C-N 3.31Å; R129-A131 PolarHBondContact O-N 3.44Å; R129-K132 PolarHBondContact O-N 3.28Å; R129-H133 PolarHBondContact O-CD2 2.98Å; R129-H133 PolarHBondContact O-N 3.35Å; R129-H133 VanDerWaalsContact O-N 3.15Å
130I86.8Confident87.1Confident91 Ų9187.3 Ų87.347%0.46745%0.446SS..Hα-helixtrans-60.9-43.6177-65.8164.3000110.1S126 Y127 K132 H133 G134 W311S126-I130 VanDerWaalsContact O-CG1 3.29Å; S126-I130 WeakPolarHBondContact O-CG1 3.29Å; S126-I130 PolarHBondContact O-N 3.4Å; Y127-I130 PolarHBondContact O-N 2.96Å; I130-K132 VanDerWaalsContact C-N 3.33Å; I130-K132 PolarHBondContact O-N 3.46Å; I130-H133 PolarHBondContact O-N 3.1Å; I130-G134 VanDerWaalsContact O-CA 3.3Å; I130-G134 WeakPolarHBondContact O-CA 3.21Å; I130-G134 PolarHBondContact O-N 3.17Å; I130-W311 HydrophobicContact CB-CH2 4.05Å; I130-W311 HydrophobicContact CB-CZ2 4.46Å; I130-W311 HydrophobicContact CG2-CH2 3.74Å; I130-W311 HydrophobicContact CG2-CZ2 3.73Å
131A84.1Confident87.4Confident21 Ų2192 Ų9217%0.17446%0.459CS..Hα-helixtrans-63.2-36.3177.500000113.3Y127 R128 R129 I136 Q307 W311Y127-A131 WeakPolarHBondContact O-CB 3.35Å; Y127-A131 PolarHBondContact O-N 3.05Å; R128-A131 PolarHBondContact O-N 2.63Å; R129-A131 VanDerWaalsContact C-N 3.31Å; R129-A131 PolarHBondContact O-N 3.44Å; A131-I136 HydrophobicContact CB-CD1 3.73Å; A131-Q307 HydrophobicContact CB-CB 3.86Å; A131-Q307 HydrophobicContact CB-CG 3.93Å; A131-W311 HydrophobicContact CB-CH2 4.43Å
132K81.4Confident87.8Confident173 Ų17385.8 Ų85.875%0.75244%0.436SS*.Hα-helixtrans-70.1-33.5177.5-74-175.6-179.6-168.60113.4R128 R129 I130R128-K132 WeakPolarHBondContact O-CG 3.4Å; R128-K132 PolarHBondContact O-N 3.25Å; R129-K132 PolarHBondContact O-N 3.28Å; I130-K132 VanDerWaalsContact C-N 3.33Å; I130-K132 PolarHBondContact O-N 3.46Å
133H80.6Confident87.9Confident171 Ų17190.8 Ų90.879%0.79245%0.448SS*.Hα-helixtrans-102.6-24.1-175.5-63.9-60.3000114.2R129 I130R129-H133 PolarHBondContact O-CD2 2.98Å; R129-H133 PolarHBondContact O-N 3.35Å; R129-H133 VanDerWaalsContact O-N 3.15Å; I130-H133 PolarHBondContact O-N 3.1Å
134G77.1Confident88.1Confident38 Ų3891.9 Ų91.939%0.39245%0.454SS..SBendtrans-90157.7-176.500000112.7I130 I136I130-G134 VanDerWaalsContact O-CA 3.3Å; I130-G134 WeakPolarHBondContact O-CA 3.21Å; I130-G134 PolarHBondContact O-N 3.17Å; G134-I136 PolarHBondContact O-N 3.09Å
135K83.8Confident88.5Confident214 Ų21492.5 Ų92.593%0.9346%0.456SS*.  trans-91.298.1169.5-66.8-176.2-179.9-178.80108.8
136I88.3Confident88.9Confident39 Ų3990.5 Ų90.520%0.244%0.442CS..  trans-75.2128170-62.1170.9000108.1A131 G134 Q138 N140 Q307 D308 W311A131-I136 HydrophobicContact CB-CD1 3.73Å; G134-I136 PolarHBondContact O-N 3.09Å; I136-Q138 PolarHBondContact O-N 3.38Å; I136-N140 HydrophobicContact CG2-CB 4.28Å; I136-Q307 HydrophobicContact CD1-CB 3.5Å; I136-D308 HydrophobicContact CD1-CB 4.12Å; I136-D308 HydrophobicContact CG1-CB 4.24Å; I136-D308 HydrophobicContact CG2-CB 3.89Å; I136-W311 HydrophobicContact CD1-CH2 4.48Å
137P90.6Very high89.3Confident70 Ų7088.1 Ų88.146%0.45543%0.425SS..  trans-55.7134.4174.2-24.233.9000111X139 N140 R141P137-A139 PolarHBondContact O-N 3.25Å; P137-A139 VanDerWaalsContact O-N 3.08Å; P137-N140 HydrophobicContact CB-CB 4.38Å; P137-N140 WeakPolarHBondContact O-CA 3.45Å; P137-N140 PolarHBondContact O-N 2.94Å; P137-R141 PolarHBondContact O-N 3.4Å
138Q89.9Confident89.7Confident173 Ų17385.7 Ų85.781%0.80842%0.416SS*.G310 helixtrans-56.5-31.8-177.3-172.6-179.8600113I136 N140 R141I136-Q138 PolarHBondContact O-N 3.38Å; Q138-N140 VanDerWaalsContact C-N 3.26Å; Q138-N140 PolarHBondContact O-N 3Å; Q138-R141 PolarHBondContact O-N 2.82Å
139X92.6Very high90.2Very high85 Ų8582.5 Ų82.570%0.70241%0.406SS*.G310 helixtrans-64.5-29.7175.300000113.3P137P137-A139 PolarHBondContact O-N 3.25Å; P137-A139 VanDerWaalsContact O-N 3.08Å
140N93Very high90.7Very high53 Ų5374.5 Ų74.528%0.28338%0.376SS..G310 helixtrans-97.1-3.1-178-70.39.4000113.3I136 P137 Q138 L142 D308 V309I136-N140 HydrophobicContact CG2-CB 4.28Å; P137-N140 HydrophobicContact CB-CB 4.38Å; P137-N140 WeakPolarHBondContact O-CA 3.45Å; P137-N140 PolarHBondContact O-N 2.94Å; Q138-N140 VanDerWaalsContact C-N 3.26Å; Q138-N140 PolarHBondContact O-N 3Å; N140-L142 PolarHBondContact O-N 2.94Å; N140-D308 WeakPolarHBondContact CB-OD1 3.36Å; N140-D308 WeakPolarHBondContact O-CA 3.35Å; N140-V309 HydrophobicContact CB-CG2 4.14Å; N140-V309 WeakPolarHBondContact O-CG1 3.45Å; N140-V309 WeakPolarHBondContact O-CG2 3.43Å; N140-V309 PolarHBondContact O-N 3.16Å
141R93Very high91.1Very high156 Ų15671.5 Ų71.559%0.58936%0.362SS*.BIsolated β-bridgetrans-66.7131.3-178.1-169169.6-176.9147.7-1.3109.5P137 Q138 K143 Q307P137-R141 PolarHBondContact O-N 3.4Å; Q138-R141 PolarHBondContact O-N 2.82Å; R141-K143 WeakPolarHBondContact O-CG 3.49Å; R141-K143 PolarHBondContact O-N 3.43Å; R141-Q307 CarbonylContact C-O 3.57Å; R141-Q307 WeakPolarHBondContact CA-O 3.21Å
142L93.9Very high91.5Very high14 Ų1470.5 Ų70.57%0.07335%0.354CS..  trans-55.9131.4173.7-172.665.7000109.5N140 E145 L180 A301 D305 Q307 V309N140-L142 PolarHBondContact O-N 2.94Å; L142-E145 HydrophobicContact CD1-CB 4.05Å; L142-E145 HydrophobicContact CD1-CG 3.93Å; L142-L180 HydrophobicContact CD1-CD1 3.88Å; L142-L180 HydrophobicContact CD1-CD2 3.6Å; L142-L180 HydrophobicContact CD1-CG 4.4Å; L142-A301 HydrophobicContact CD1-CB 4.38Å; L142-A301 HydrophobicContact CD2-CB 3.7Å; L142-A301 HydrophobicContact CG-CB 3.85Å; L142-D305 HydrophobicContact CD2-CB 3.92Å; L142-Q307 PolarHBondContact N-O 2.93Å; L142-V309 HydrophobicContact CB-CG1 4.38Å; L142-V309 HydrophobicContact CD1-CG1 4.06Å
143K90Very high91.9Very high140 Ų14062.6 Ų62.661%0.60932%0.321SS*.  trans-117.9-148-178.3-57.9-179.3-174.91690109.4R141 E145 A301R141-K143 WeakPolarHBondContact O-CG 3.49Å; R141-K143 PolarHBondContact O-N 3.43Å; K143-E145 PolarHBondContact O-N 3.37Å; K143-A301 VanDerWaalsContact O-CB 3.25Å; K143-A301 WeakPolarHBondContact O-CB 3.29Å
144N93.9Very high92.1Very high76 Ų7658 Ų5841%0.40630%0.298SS..SBendtrans-7472.1179.9-60.2-12.9000111.3R23 E27 F300R23-N144 WeakPolarHBondContact CD-O 3.43Å; R23-N144 PolarHBondContact NH1-O 3.22Å; E27-N144 HydrophobicContact CG-CB 4.26Å; E27-N144 PolarHBondContact OE1-ND2 2.96Å; N144-F300 HydrophobicContact CB-CE2 4.1Å; N144-F300 HydrophobicContact CB-CZ 3.64Å
145E96.6Very high92.4Very high31 Ų3158.3 Ų58.315%0.14529%0.294CS..  trans-108.2150.5177.9-68.5-73.6172.500110.5L142 K143 L180 S181 S182 A301L142-E145 HydrophobicContact CD1-CB 4.05Å; L142-E145 HydrophobicContact CD1-CG 3.93Å; K143-E145 PolarHBondContact O-N 3.37Å; E145-L180 HydrophobicContact CB-CD2 4.37Å; E145-S181 PolarHBondContact OE2-N 2.82Å; E145-S181 PolarHBondContact OE2-OG 2.81Å; E145-S182 WeakPolarHBondContact OE1-CB 3.39Å; E145-S182 PolarHBondContact OE1-OG 2.87Å; E145-S182 WeakPolarHBondContact OE2-CB 3.38Å; E145-S182 PolarHBondContact OE2-N 2.88Å; E145-S182 PolarHBondContact OE2-OG 3.12Å; E145-A301 HydrophobicContact CB-CB 4.28Å; E145-A301 WeakPolarHBondContact O-CB 3.3Å; E145-A301 PolarHBondContact O-N 2.84Å
146A97.9Very high91.8Very high0 Ų053 Ų530%027%0.268CS..EExtended strand (participates in β ladder)trans-85.8133.2155.700000108.8V19 F22 R23 L180 S181 I298 H299V19-A146 HydrophobicContact CG1-CB 4.3Å; F22-A146 HydrophobicContact CD1-CB 4Å; F22-A146 HydrophobicContact CE1-CB 4.14Å; R23-A146 HydrophobicContact CB-CB 4.13Å; R23-A146 HydrophobicContact CG-CB 4.36Å; A146-L180 CarbonylContact O-C 3.59Å; A146-S181 PolarHBondContact N-OG 3.28Å; A146-S181 PolarHBondContact O-N 3.41Å; A146-S181 PolarHBondContact O-OG 3.45Å; A146-I298 HydrophobicContact CB-CD1 3.98Å; A146-I298 HydrophobicContact CB-CG1 4.06Å; A146-H299 CarbonylContact C-O 3.55Å; A146-H299 WeakPolarHBondContact CA-O 3.47Å
147V98Very high90.5Very high0 Ų058.8 Ų58.80%030%0.3CS..EExtended strand (participates in β ladder)trans-103.6123.9175.6-176.10000107.7L178 L180 I298 H299 A301 Y312V147-L178 HydrophobicContact CG1-CB 4.3Å; V147-L178 HydrophobicContact CG1-CD2 4.23Å; V147-L180 HydrophobicContact CG2-CD2 3.93Å; V147-I298 WeakPolarHBondContact O-CA 3.35Å; V147-H299 PolarHBondContact N-O 3.08Å; V147-H299 PolarHBondContact O-N 2.98Å; V147-A301 HydrophobicContact CG2-CB 4.23Å; V147-Y312 HydrophobicContact CG1-CE1 4.19Å
148L98.4Very high89Confident0 Ų057.9 Ų57.90%030%0.298CS..EExtended strand (participates in β ladder)trans-110134-177.9-57.385.2000109.8V19 L178 V179 F270 I275 V295 I298V19-L148 HydrophobicContact CG1-CD1 4.31Å; V19-L148 HydrophobicContact CG1-CD2 4.43Å; V19-L148 HydrophobicContact CG2-CD2 4.12Å; L148-L178 WeakPolarHBondContact O-CA 3.49Å; L148-V179 HydrophobicContact CB-CG2 3.75Å; L148-V179 HydrophobicContact CD1-CG2 4.35Å; L148-V179 PolarHBondContact N-O 3.25Å; L148-V179 PolarHBondContact O-N 2.86Å; L148-F270 HydrophobicContact CD1-CB 4.19Å; L148-F270 HydrophobicContact CD2-CD1 4.09Å; L148-I275 HydrophobicContact CD2-CD1 3.94Å; L148-V295 HydrophobicContact CB-CG1 4.23Å; L148-V295 HydrophobicContact CD2-CG1 4.16Å; L148-I298 HydrophobicContact CD2-CD1 4.42Å; L148-I298 HydrophobicContact CG-CD1 4.22Å; L148-I298 HydrophobicContact CG-CG1 4.11Å
149T97.4Very high87.3Confident20 Ų2059.2 Ų59.212%0.12330%0.301CS..EExtended strand (participates in β ladder)trans-94.8106172.1-55.90000110V176 L177 L178 S296 N297 F316T149-V176 HydrophobicContact CG2-CG1 3.82Å; T149-L177 WeakPolarHBondContact CA-O 3.33Å; T149-L178 HydrophobicContact CG2-CD2 4.42Å; T149-L178 WeakPolarHBondContact OG1-CD2 3.24Å; T149-S296 WeakPolarHBondContact CB-OG 3.37Å; T149-S296 VanDerWaalsContact CG2-OG 3.31Å; T149-S296 WeakPolarHBondContact CG2-OG 3.14Å; T149-S296 PolarHBondContact O-N 3.46Å; T149-S296 PolarHBondContact O-OG 2.78Å; T149-S296 VanDerWaalsContact O-OG 3.06Å; T149-N297 PolarHBondContact N-O 3.11Å; T149-F316 HydrophobicContact CG2-CE1 4.49Å; T149-F316 HydrophobicContact CG2-CZ 4.01Å
150V97.5Very high85.3Confident0 Ų057.2 Ų57.20%029%0.285CS..EExtended strand (participates in β ladder)trans-99.5120.8-177.9-177.20000110.1L152 V176 L177 V179 L188 F270 V293 V295V150-L152 HydrophobicContact CG1-CD1 4.05Å; V150-V176 CarbonylContact O-C 3.52Å; V150-V176 WeakPolarHBondContact O-CA 3.39Å; V150-L177 PolarHBondContact N-O 3.3Å; V150-L177 PolarHBondContact O-N 2.85Å; V150-V179 HydrophobicContact CG2-CG1 4.43Å; V150-V179 HydrophobicContact CG2-CG2 3.64Å; V150-L188 HydrophobicContact CG1-CD2 4Å; V150-F270 HydrophobicContact CG2-CE1 4.46Å; V150-V293 HydrophobicContact CG1-CG1 3.6Å; V150-V295 HydrophobicContact CG2-CG2 4.48Å
151V95Very high83.2Confident27 Ų2759.5 Ų59.516%0.16430%0.297CS..EExtended strand (participates in β ladder)trans-104.3123.3176-176.60000108.4I173 R175 V176 V293 V294V151-I173 HydrophobicContact CG1-CB 4.48Å; V151-I173 HydrophobicContact CG1-CD1 4.12Å; V151-I173 HydrophobicContact CG1-CG1 3.94Å; V151-I173 HydrophobicContact CG1-CG2 3.9Å; V151-R175 CarbonylContact C-O 3.54Å; V151-R175 WeakPolarHBondContact CA-O 3.43Å; V151-V176 HydrophobicContact CG2-CG1 4.23Å; V151-V176 HydrophobicContact CG2-CG2 4.5Å; V151-V293 CarbonylContact O-C 3.55Å; V151-V293 WeakPolarHBondContact O-CA 3.3Å; V151-V294 HydrophobicContact CB-CB 4.4Å; V151-V294 PolarHBondContact N-O 3.11Å; V151-V294 PolarHBondContact O-N 2.79Å
152L93.4Very high81Confident1 Ų159.7 Ų59.71%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-105.2140.1171.7-68.6104.4000110.8V150 D174 R175 L177 I192 L292 V293V150-L152 HydrophobicContact CG1-CD1 4.05Å; L152-D174 PolarHBondContact O-N 3.33Å; L152-R175 HydrophobicContact CB-CB 4.24Å; L152-R175 HydrophobicContact CD1-CB 4.12Å; L152-R175 PolarHBondContact N-O 2.81Å; L152-R175 PolarHBondContact O-N 2.78Å; L152-L177 HydrophobicContact CD1-CD1 3.25Å; L152-I192 HydrophobicContact CD1-CD1 4.43Å; L152-I192 HydrophobicContact CD1-CG1 4.16Å; L152-I192 HydrophobicContact CD2-CD1 3.4Å; L152-I192 HydrophobicContact CD2-CG1 3.71Å; L152-I192 HydrophobicContact CD2-CG2 4.3Å; L152-L292 CarbonylContact C-O 3.46Å; L152-L292 WeakPolarHBondContact CA-O 3.36Å; L152-V293 HydrophobicContact CD2-CG2 3.99Å; L152-V293 HydrophobicContact CG-CG2 4.33Å
153A89.5Confident79Confident7 Ų762.2 Ų62.26%0.05835%0.346CS..EExtended strand (participates in β ladder)trans-91.4156169.700000111.8V171 R172 H291 L292A153-V171 HydrophobicContact CB-CG1 3.53Å; A153-R172 CarbonylContact C-O 3.57Å; A153-R172 VanDerWaalsContact CA-O 3.25Å; A153-R172 WeakPolarHBondContact CA-O 3.5Å; A153-H291 PolarHBondContact O-ND1 3.31Å; A153-L292 HydrophobicContact CB-CB 3.93Å; A153-L292 PolarHBondContact N-O 3.43Å
154K85.2Confident76.8Confident74 Ų7459.3 Ų59.332%0.32233%0.334SS..PPolyproline II helixtrans-62.4148.6167.7-72.9-161.3172.7-1550109.4R172 D174K154-R172 HydrophobicContact CG-CB 4.46Å; K154-R172 PolarHBondContact N-O 2.67Å; K154-D174 HydrophobicContact CB-CB 4.39Å; K154-D174 VanDerWaalsContact CE-OD1 3.27Å; K154-D174 WeakPolarHBondContact CE-OD1 3.39Å; K154-D174 HydrophobicContact CG-CB 3.58Å
155P82.8Confident74.6Confident45 Ų4562 Ų6229%0.29235%0.348SS..PPolyproline II helixtrans-63142.6172.329.6-31.6000108.9E290P155-E290 VanDerWaalsContact CA-O 3.3Å; P155-E290 WeakPolarHBondContact CA-O 3.27Å
156Y71.4Confident72.2Confident101 Ų10164 Ų6440%0.39636%0.362SS..  trans-101.3114.6179-161.3-106.1000108.1A158 A160 H169Y156-A158 WeakPolarHBondContact CD1-O 3.48Å; Y156-A158 HydrophobicContact CE1-CB 4.41Å; Y156-A158 WeakPolarHBondContact CE1-O 3.14Å; Y156-A160 HydrophobicContact CE1-CB 3.86Å; Y156-A160 WeakPolarHBondContact OH-CB 3.2Å; Y156-H169 WeakPolarHBondContact CE2-O 3.26Å; Y156-H169 PolarHBondContact OH-O 2.84Å
157D60.3Low69.6Low162 Ų16275.7 Ų75.787%0.86641%0.406SS*.  trans-96.8-9.3-170.654.6-10.1000113.9
158A58.5Low67.4Low50 Ų5083 Ų8341%0.41344%0.438SS..SBendtrans-109.9149.3179.300000112.5Y156 A160Y156-A158 WeakPolarHBondContact CD1-O 3.48Å; Y156-A158 HydrophobicContact CE1-CB 4.41Å; Y156-A158 WeakPolarHBondContact CE1-O 3.14Å; A158-A160 PolarHBondContact O-N 3.18Å
159F55Low65.2Low201 Ų20187.5 Ų87.588%0.88246%0.459SS*.  trans-69.1113.1156.2-70.4-82.9000106.7N161F159-N161 PolarHBondContact O-N 3.13Å
160A51.4Low63.5Low44 Ų4487.8 Ų87.836%0.36447%0.465SS..  trans-62.8110.9171.700000107.6Y156 A158 I165Y156-A160 HydrophobicContact CE1-CB 3.86Å; Y156-A160 WeakPolarHBondContact OH-CB 3.2Å; A158-A160 PolarHBondContact O-N 3.18Å; A160-I165 HydrophobicContact CB-CG1 4.31Å
161N48.2Very low62.2Low100 Ų10092.8 Ų92.854%0.53550%0.495SS..  trans-62.9145.2169.3-68.9-44.8000108.3F159 G163 E164F159-N161 PolarHBondContact O-N 3.13Å; N161-G163 PolarHBondContact O-N 2.58Å; N161-E164 HydrophobicContact CB-CG 4.1Å; N161-E164 PolarHBondContact N-OE2 2.94Å; N161-E164 PolarHBondContact ND2-OE1 2.77Å; N161-E164 PolarHBondContact ND2-OE2 3.42Å; N161-E164 PolarHBondContact O-N 3.48Å
162T47.6Very low61.4Low160 Ų16096.7 Ų96.798%0.98251%0.507SS*.THydrogen-bonded Turntrans-55.9104.4174.290000109.6
163G51Low60.9Low68 Ų6898.1 Ų98.170%0.70151%0.514SS*.THydrogen-bonded Turntrans120.3-14.6-175.800000115N161N161-G163 PolarHBondContact O-N 2.58Å
164E44Very low60.7Low78 Ų7898.6 Ų98.636%0.36452%0.516SS..  trans-86.6-7.8-177.6-82.8174.3-174.300114.7N161 T166 H169N161-E164 HydrophobicContact CB-CG 4.1Å; N161-E164 PolarHBondContact N-OE2 2.94Å; N161-E164 PolarHBondContact ND2-OE1 2.77Å; N161-E164 PolarHBondContact ND2-OE2 3.42Å; N161-E164 PolarHBondContact O-N 3.48Å; E164-T166 PolarHBondContact O-N 3.07Å; E164-T166 PolarHBondContact O-OG1 2.81Å; E164-T166 VanDerWaalsContact O-OG1 3.05Å; E164-H169 WeakPolarHBondContact O-CB 3.18Å; E164-H169 PolarHBondContact O-ND1 2.72Å
165I48.1Very low60.9Low134 Ų13495.2 Ų95.269%0.68750%0.501SS*.  trans-68.868.1170-47.6177000108.8A160A160-I165 HydrophobicContact CB-CG1 4.31Å
166T44.9Very low61.4Low73 Ų7393.2 Ų93.245%0.44849%0.488SS..SBendtrans-101.7164.7172.753.60000106.7E164 K168 H169 G170E164-T166 PolarHBondContact O-N 3.07Å; E164-T166 PolarHBondContact O-OG1 2.81Å; E164-T166 VanDerWaalsContact O-OG1 3.05Å; T166-K168 PolarHBondContact O-N 2.99Å; T166-H169 PolarHBondContact O-N 3Å; T166-H169 PolarHBondContact OG1-ND1 2.94Å; T166-H169 VanDerWaalsContact OG1-ND1 3.17Å; T166-G170 PolarHBondContact O-N 3.36Å
167R45Very low62.6Low244 Ų24488.5 Ų88.592%0.92147%0.47SS*.THydrogen-bonded Turntrans-47.4-21.7-175.9-56179.2-166-171.32.4114.8
168K50.2Low64.4Low155 Ų15581 Ų8167%0.67443%0.43SS*.THydrogen-bonded Turntrans-89.4-23.5178.3-67.6-175.3177.7-177.80114.4T166 R172T166-K168 PolarHBondContact O-N 2.99Å; K168-R172 PolarHBondContact O-NH2 3.17Å
169H52.5Low66.3Low94 Ų9478.7 Ų78.744%0.43541%0.41SS..SBendtrans-122.723.6-171.4-46.598000113.2Y156 E164 T166Y156-H169 WeakPolarHBondContact CE2-O 3.26Å; Y156-H169 PolarHBondContact OH-O 2.84Å; E164-H169 WeakPolarHBondContact O-CB 3.18Å; E164-H169 PolarHBondContact O-ND1 2.72Å; T166-H169 PolarHBondContact O-N 3Å; T166-H169 PolarHBondContact OG1-ND1 2.94Å; T166-H169 VanDerWaalsContact OG1-ND1 3.17Å
170G61.4Low68.3Low25 Ų2569.2 Ų69.226%0.25837%0.369SS..SBendtrans-80.4168.5173.500000113.5T166 R172T166-G170 PolarHBondContact O-N 3.36Å; G170-R172 WeakPolarHBondContact O-CG 3.42Å; G170-R172 PolarHBondContact O-N 2.7Å; G170-R172 VanDerWaalsContact O-N 3.16Å
171V70.9Confident70.6Confident105 Ų10567.1 Ų67.164%0.63635%0.352SS*.PPolyproline II helixtrans-57.4116.6169.7179.70000109A153 L292A153-V171 HydrophobicContact CB-CG1 3.53Å; V171-L292 HydrophobicContact CG1-CD1 4.17Å; V171-L292 HydrophobicContact CG2-CD1 4.26Å
172R77.9Confident72.9Confident110 Ų11065.3 Ų65.342%0.41535%0.347SS..PPolyproline II helixtrans-102.4131.7179.6-66.2178.5-178.2-171.50.1109.5F114 A153 K154 K168 G170 D174F114-R172 HydrophobicContact CZ-CG 4.47Å; A153-R172 CarbonylContact C-O 3.57Å; A153-R172 VanDerWaalsContact CA-O 3.25Å; A153-R172 WeakPolarHBondContact CA-O 3.5Å; K154-R172 HydrophobicContact CG-CB 4.46Å; K154-R172 PolarHBondContact N-O 2.67Å; K168-R172 PolarHBondContact O-NH2 3.17Å; G170-R172 WeakPolarHBondContact O-CG 3.42Å; G170-R172 PolarHBondContact O-N 2.7Å; G170-R172 VanDerWaalsContact O-N 3.16Å; R172-D174 PolarHBondContact O-N 2.8Å
173I83.2Confident75.3Confident30 Ų3058.1 Ų58.115%0.15430%0.302CS..EExtended strand (participates in β ladder)trans-60128.8168.8-60.8175.8000108.2V115 R118 V151 V176V115-I173 HydrophobicContact CG2-CD1 3.93Å; R118-I173 PolarHBondContact NH1-O 2.75Å; V151-I173 HydrophobicContact CG1-CB 4.48Å; V151-I173 HydrophobicContact CG1-CD1 4.12Å; V151-I173 HydrophobicContact CG1-CG1 3.94Å; V151-I173 HydrophobicContact CG1-CG2 3.9Å; I173-V176 HydrophobicContact CG2-CG2 3.81Å
174D84.7Confident77.6Confident17 Ų1759.2 Ų59.29%0.09129%0.287CS..EExtended strand (participates in β ladder)trans-97.5-49.3172.1-167.740.1000110.8L152 K154 R172 T317L152-D174 PolarHBondContact O-N 3.33Å; K154-D174 HydrophobicContact CB-CB 4.39Å; K154-D174 VanDerWaalsContact CE-OD1 3.27Å; K154-D174 WeakPolarHBondContact CE-OD1 3.39Å; K154-D174 HydrophobicContact CG-CB 3.58Å; R172-D174 PolarHBondContact O-N 2.8Å; D174-T317 WeakPolarHBondContact O-CG2 3.38Å
175R89.8Confident80.2Confident4 Ų455.5 Ų55.52%0.01527%0.27CS..EExtended strand (participates in β ladder)trans-139.2149.8-175-54.6-69.1176.7176.27111.9V151 L152 L177 D315 T317V151-R175 CarbonylContact C-O 3.54Å; V151-R175 WeakPolarHBondContact CA-O 3.43Å; L152-R175 HydrophobicContact CB-CB 4.24Å; L152-R175 HydrophobicContact CD1-CB 4.12Å; L152-R175 PolarHBondContact N-O 2.81Å; L152-R175 PolarHBondContact O-N 2.78Å; R175-L177 HydrophobicContact CB-CD1 3.61Å; R175-D315 WeakPolarHBondContact CD-OD2 3.49Å; R175-D315 IonicContact CZ-OD2 3Å; R175-D315 IonicContact NE-OD2 2.98Å; R175-D315 IonicContact NH1-OD2 3.79Å; R175-D315 PolarHBondContact NH1-OD2 2.93Å; R175-T317 VanDerWaalsContact CA-OG1 3.27Å; R175-T317 WeakPolarHBondContact CA-OG1 3.44Å
176V93.6Very high82.6Confident3 Ų349.6 Ų49.62%0.01824%0.24CC..EExtended strand (participates in β ladder)trans-129.2116.8167.3-1680000106.8I119 T149 V150 V151 I173 F316 T317I119-V176 HydrophobicContact CG1-CG2 4.15Å; T149-V176 HydrophobicContact CG2-CG1 3.82Å; V150-V176 CarbonylContact O-C 3.52Å; V150-V176 WeakPolarHBondContact O-CA 3.39Å; V151-V176 HydrophobicContact CG2-CG1 4.23Å; V151-V176 HydrophobicContact CG2-CG2 4.5Å; I173-V176 HydrophobicContact CG2-CG2 3.81Å; V176-F316 HydrophobicContact CB-CE1 4.18Å; V176-F316 HydrophobicContact CB-CZ 4.2Å; V176-F316 HydrophobicContact CG1-CD1 4.42Å; V176-F316 HydrophobicContact CG1-CE1 3.57Å; V176-F316 HydrophobicContact CG1-CE2 3.99Å; V176-F316 HydrophobicContact CG1-CZ 3.32Å; V176-F316 WeakPolarHBondContact O-CD1 3.37Å; V176-F316 PolarHBondContact O-N 2.81Å; V176-T317 PolarHBondContact N-OG1 3.36Å; V176-T317 PolarHBondContact O-OG1 3.5Å
177L96.3Very high85.1Confident1 Ų149.6 Ų49.61%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-120.3144.9-177.7-60.4102000111.8T149 V150 L152 R175 L188 A191 P313 I314 D315T149-L177 WeakPolarHBondContact CA-O 3.33Å; V150-L177 PolarHBondContact N-O 3.3Å; V150-L177 PolarHBondContact O-N 2.85Å; L152-L177 HydrophobicContact CD1-CD1 3.25Å; R175-L177 HydrophobicContact CB-CD1 3.61Å; L177-L188 HydrophobicContact CB-CD1 4.48Å; L177-L188 HydrophobicContact CD1-CD1 4.14Å; L177-L188 HydrophobicContact CD2-CD1 4.2Å; L177-A191 HydrophobicContact CD2-CB 3.95Å; L177-P313 HydrophobicContact CD2-CB 4.05Å; L177-I314 CarbonylContact C-O 3.48Å; L177-I314 WeakPolarHBondContact CA-O 3.29Å; L177-D315 HydrophobicContact CD2-CB 4.16Å; L177-D315 HydrophobicContact CG-CB 4.33Å
178L97.4Very high87.6Confident6 Ų638 Ų383%0.03119%0.191CC..EExtended strand (participates in β ladder)trans-93.5129.4160.7-60.2-179.9000108.9L124 V147 L148 T149 Y312 P313 I314 F316L124-L178 HydrophobicContact CD1-CD1 4.31Å; L124-L178 HydrophobicContact CD2-CD1 3.74Å; V147-L178 HydrophobicContact CG1-CB 4.3Å; V147-L178 HydrophobicContact CG1-CD2 4.23Å; L148-L178 WeakPolarHBondContact O-CA 3.49Å; T149-L178 HydrophobicContact CG2-CD2 4.42Å; T149-L178 WeakPolarHBondContact OG1-CD2 3.24Å; L178-Y312 HydrophobicContact CB-CD1 4.09Å; L178-Y312 HydrophobicContact CB-CE1 3.75Å; L178-Y312 WeakPolarHBondContact O-CD1 3.25Å; L178-P313 CarbonylContact O-C 3.58Å; L178-P313 VanDerWaalsContact O-CA 3.26Å; L178-P313 WeakPolarHBondContact O-CA 3.49Å; L178-I314 HydrophobicContact CB-CB 4.34Å; L178-I314 PolarHBondContact N-O 2.89Å; L178-I314 PolarHBondContact O-N 2.82Å; L178-F316 HydrophobicContact CD2-CE1 3.73Å; L178-F316 HydrophobicContact CD2-CZ 3.98Å; L178-F316 HydrophobicContact CG-CD1 3.99Å; L178-F316 HydrophobicContact CG-CE1 3.55Å; L178-F316 HydrophobicContact CG-CZ 4.19Å
179V98.3Very high89.8Confident0 Ų032.5 Ų32.50%017%0.167CC..EExtended strand (participates in β ladder)trans-126.6148.2173.9-60.90000109.8L148 V150 L188 F270 P313L148-V179 HydrophobicContact CB-CG2 3.75Å; L148-V179 HydrophobicContact CD1-CG2 4.35Å; L148-V179 PolarHBondContact N-O 3.25Å; L148-V179 PolarHBondContact O-N 2.86Å; V150-V179 HydrophobicContact CG2-CG1 4.43Å; V150-V179 HydrophobicContact CG2-CG2 3.64Å; V179-L188 HydrophobicContact CG1-CB 4.4Å; V179-L188 HydrophobicContact CG1-CD1 4.02Å; V179-F270 HydrophobicContact CB-CD2 4.28Å; V179-F270 HydrophobicContact CB-CE2 3.99Å; V179-F270 HydrophobicContact CB-CZ 4.24Å; V179-F270 HydrophobicContact CG1-CE2 4.25Å; V179-F270 HydrophobicContact CG1-CZ 4.27Å; V179-F270 HydrophobicContact CG2-CD1 3.99Å; V179-F270 HydrophobicContact CG2-CD2 4.07Å; V179-F270 HydrophobicContact CG2-CE1 3.8Å; V179-F270 HydrophobicContact CG2-CE2 3.91Å; V179-F270 HydrophobicContact CG2-CG 4.13Å; V179-F270 HydrophobicContact CG2-CZ 3.79Å; V179-P313 HydrophobicContact CG1-CB 3.97Å; V179-P313 HydrophobicContact CG1-CG 4.25Å
180L98.5Very high91.9Very high3 Ų332.1 Ų32.12%0.01617%0.168CC..EExtended strand (participates in β ladder)trans-91152.7175.8-52.2176.4000111L142 E145 A146 V147 S182 Q183 V309 Y312L142-L180 HydrophobicContact CD1-CD1 3.88Å; L142-L180 HydrophobicContact CD1-CD2 3.6Å; L142-L180 HydrophobicContact CD1-CG 4.4Å; E145-L180 HydrophobicContact CB-CD2 4.37Å; A146-L180 CarbonylContact O-C 3.59Å; V147-L180 HydrophobicContact CG2-CD2 3.93Å; L180-S182 VanDerWaalsContact C-N 3.27Å; L180-S182 PolarHBondContact O-N 2.86Å; L180-Q183 HydrophobicContact CB-CG 4.07Å; L180-Q183 WeakPolarHBondContact O-CB 3.49Å; L180-Q183 PolarHBondContact O-N 3.41Å; L180-Q183 VanDerWaalsContact O-N 3.16Å; L180-V309 HydrophobicContact CD1-CB 4Å; L180-V309 HydrophobicContact CD1-CG1 3.89Å; L180-Y312 HydrophobicContact CD1-CD1 4.39Å; L180-Y312 HydrophobicContact CD1-CD2 3.99Å; L180-Y312 HydrophobicContact CD1-CE2 4.47Å; L180-Y312 HydrophobicContact CD1-CG 3.94Å; L180-Y312 HydrophobicContact CD2-CD1 3.61Å; L180-Y312 HydrophobicContact CD2-CD2 4.22Å; L180-Y312 HydrophobicContact CD2-CE1 3.46Å; L180-Y312 VanDerWaalsContact CD2-CE1 3.46Å; L180-Y312 HydrophobicContact CD2-CE2 4.11Å; L180-Y312 HydrophobicContact CD2-CG 3.98Å; L180-Y312 HydrophobicContact CG-CD1 3.66Å; L180-Y312 HydrophobicContact CG-CD2 4.15Å; L180-Y312 HydrophobicContact CG-CE1 4.07Å; L180-Y312 HydrophobicContact CG-CG 3.69Å
181S98.3Very high93.4Very high0 Ų032.7 Ų32.70%017%0.17CC..THydrogen-bonded Turntrans-56-40.1174.835.50000113R23 E145 A146 Q183 F270 D271R23-S181 WeakPolarHBondContact CD-OG 3.14Å; E145-S181 PolarHBondContact OE2-N 2.82Å; E145-S181 PolarHBondContact OE2-OG 2.81Å; A146-S181 PolarHBondContact N-OG 3.28Å; A146-S181 PolarHBondContact O-N 3.41Å; A146-S181 PolarHBondContact O-OG 3.45Å; S181-Q183 VanDerWaalsContact C-N 3.26Å; S181-Q183 PolarHBondContact O-N 3.16Å; S181-F270 CarbonylContact O-C 3.51Å; S181-F270 PolarHBondContact O-N 2.83Å; S181-D271 PolarHBondContact O-N 3.36Å
182S97.6Very high94.5Very high61 Ų6128.1 Ų28.143%0.42714%0.142SC..THydrogen-bonded Turntrans-72.1-15.9-179.656.80000114.7E145 L180 T269E145-S182 WeakPolarHBondContact OE1-CB 3.39Å; E145-S182 PolarHBondContact OE1-OG 2.87Å; E145-S182 WeakPolarHBondContact OE2-CB 3.38Å; E145-S182 PolarHBondContact OE2-N 2.88Å; E145-S182 PolarHBondContact OE2-OG 3.12Å; L180-S182 VanDerWaalsContact C-N 3.27Å; L180-S182 PolarHBondContact O-N 2.86Å; S182-T269 WeakPolarHBondContact O-CG2 3.35Å
183Q98.1Very high95Very high10 Ų1024.1 Ų24.15%0.04713%0.127CC..SBendtrans-69.7144.2179.8-70.8-173.8-72.300111.4L180 S181 E187 T269 F270 Y312L180-Q183 HydrophobicContact CB-CG 4.07Å; L180-Q183 WeakPolarHBondContact O-CB 3.49Å; L180-Q183 PolarHBondContact O-N 3.41Å; L180-Q183 VanDerWaalsContact O-N 3.16Å; S181-Q183 VanDerWaalsContact C-N 3.26Å; S181-Q183 PolarHBondContact O-N 3.16Å; Q183-E187 WeakPolarHBondContact CA-OE1 3.33Å; Q183-E187 WeakPolarHBondContact CG-OE2 3.33Å; Q183-E187 PolarHBondContact NE2-OE2 3.29Å; Q183-T269 CarbonylContact O-C 3.58Å; Q183-T269 WeakPolarHBondContact O-CA 3.37Å; Q183-T269 WeakPolarHBondContact O-CB 3.48Å; Q183-F270 HydrophobicContact CB-CD2 4.3Å; Q183-F270 WeakPolarHBondContact O-CD2 3.45Å; Q183-F270 PolarHBondContact O-N 2.96Å; Q183-Y312 VanDerWaalsContact NE2-C 3.27Å; Q183-Y312 PolarHBondContact NE2-O 2.87Å; Q183-Y312 VanDerWaalsContact NE2-O 3.12Å
184K98.5Very high95.2Very high90 Ų9022.7 Ų22.739%0.39112%0.12SC..BIsolated β-bridgetrans-72.5150.4172.3-67.2-179171.1-156.40110.4T186 E187 E266 T268 T269K184-T186 WeakPolarHBondContact CB-OG1 3.35Å; K184-T186 PolarHBondContact O-N 3.18Å; K184-T186 VanDerWaalsContact O-N 3.12Å; K184-E187 HydrophobicContact CB-CG 4.42Å; K184-E187 PolarHBondContact N-OE1 2.81Å; K184-E187 WeakPolarHBondContact O-CB 3.36Å; K184-E187 PolarHBondContact O-N 3.29Å; K184-E266 VanDerWaalsContact CD-O 3.3Å; K184-E266 WeakPolarHBondContact CD-O 3.42Å; K184-E266 VanDerWaalsContact CE-O 3.29Å; K184-E266 WeakPolarHBondContact CE-O 3.34Å; K184-E266 PolarHBondContact NZ-O 3.06Å; K184-T268 WeakPolarHBondContact CA-O 3.28Å; K184-T269 HydrophobicContact CG-CG2 4.3Å
185L98.5Very high95.2Very high0 Ų024.3 Ų24.30%013%0.131CC..Hα-helixtrans-59.2-27.7174.6-61.6-175000112.6E187 L188 R189 F224 Y231 M265 T268 F270 L273L185-E187 VanDerWaalsContact C-N 3.26Å; L185-E187 PolarHBondContact O-N 3.39Å; L185-L188 PolarHBondContact O-N 2.81Å; L185-R189 PolarHBondContact O-N 2.73Å; L185-F224 HydrophobicContact CB-CD2 4.39Å; L185-Y231 HydrophobicContact CD1-CD1 3.65Å; L185-Y231 HydrophobicContact CD1-CD2 4.07Å; L185-Y231 HydrophobicContact CD1-CE1 4.28Å; L185-Y231 HydrophobicContact CD1-CG 3.52Å; L185-M265 HydrophobicContact CB-CG 3.47Å; L185-M265 VanDerWaalsContact CB-CG 3.47Å; L185-M265 HydrophobicContact CB-SD 4.4Å; L185-M265 HydrophobicContact CD1-CG 4.45Å; L185-T268 HydrophobicContact CD1-CG2 3.79Å; L185-T268 HydrophobicContact CG-CG2 4.13Å; L185-T268 PolarHBondContact N-O 3.45Å; L185-F270 HydrophobicContact CD2-CD1 4.12Å; L185-F270 HydrophobicContact CD2-CD2 4.14Å; L185-F270 HydrophobicContact CD2-CE1 3.92Å; L185-F270 HydrophobicContact CD2-CE2 3.93Å; L185-F270 HydrophobicContact CD2-CG 4.21Å; L185-F270 HydrophobicContact CD2-CZ 3.79Å; L185-L273 HydrophobicContact CD1-CD2 4.25Å; L185-L273 HydrophobicContact CD2-CD1 3.94Å; L185-L273 HydrophobicContact CD2-CD2 4.37Å; L185-L273 HydrophobicContact CD2-CG 4.4Å
186T98.2Very high95.1Very high10 Ų1027.3 Ų27.36%0.06115%0.148CC..Hα-helixtrans-63.9-30.1175.552.90000113.1K184 R189 D190 R235 M265 E266K184-T186 WeakPolarHBondContact CB-OG1 3.35Å; K184-T186 PolarHBondContact O-N 3.18Å; K184-T186 VanDerWaalsContact O-N 3.12Å; T186-R189 WeakPolarHBondContact O-CB 3.45Å; T186-R189 PolarHBondContact O-N 3.47Å; T186-D190 WeakPolarHBondContact O-CB 3.45Å; T186-D190 VanDerWaalsContact O-CG 3.24Å; T186-D190 PolarHBondContact O-N 2.96Å; T186-R235 HydrophobicContact CG2-CG 4.37Å; T186-M265 HydrophobicContact CG2-CB 4.07Å; T186-M265 HydrophobicContact CG2-CG 3.73Å; T186-M265 HydrophobicContact CG2-SD 3.95Å; T186-E266 HydrophobicContact CG2-CB 3.97Å
187E98.1Very high94.9Very high73 Ų7327.8 Ų27.834%0.34115%0.151SC..Hα-helixtrans-68.5-41.1177.5-64.7174.8-114.200110.8Q183 K184 L185 D190 A191 P313Q183-E187 WeakPolarHBondContact CA-OE1 3.33Å; Q183-E187 WeakPolarHBondContact CG-OE2 3.33Å; Q183-E187 PolarHBondContact NE2-OE2 3.29Å; K184-E187 HydrophobicContact CB-CG 4.42Å; K184-E187 PolarHBondContact N-OE1 2.81Å; K184-E187 WeakPolarHBondContact O-CB 3.36Å; K184-E187 PolarHBondContact O-N 3.29Å; L185-E187 VanDerWaalsContact C-N 3.26Å; L185-E187 PolarHBondContact O-N 3.39Å; E187-D190 PolarHBondContact O-N 3.36Å; E187-A191 WeakPolarHBondContact O-CB 3.48Å; E187-A191 PolarHBondContact O-N 2.88Å; E187-A191 VanDerWaalsContact O-N 3.09Å; E187-P313 HydrophobicContact CB-CG 4.34Å
188L97.7Very high94.3Very high1 Ų128.7 Ų28.71%0.00516%0.156CC..Hα-helixtrans-63.3-45.3170.6176.263.4000110.8V150 L177 V179 L185 D190 A191 I192 F224 F270V150-L188 HydrophobicContact CG1-CD2 4Å; L177-L188 HydrophobicContact CB-CD1 4.48Å; L177-L188 HydrophobicContact CD1-CD1 4.14Å; L177-L188 HydrophobicContact CD2-CD1 4.2Å; V179-L188 HydrophobicContact CG1-CB 4.4Å; V179-L188 HydrophobicContact CG1-CD1 4.02Å; L185-L188 PolarHBondContact O-N 2.81Å; L188-D190 VanDerWaalsContact C-N 3.28Å; L188-D190 PolarHBondContact O-N 3.31Å; L188-A191 PolarHBondContact O-N 2.86Å; L188-A191 VanDerWaalsContact O-N 3.15Å; L188-I192 HydrophobicContact CD1-CD1 4.4Å; L188-I192 HydrophobicContact CD1-CG1 4.31Å; L188-I192 HydrophobicContact CG-CD1 4.09Å; L188-I192 HydrophobicContact CG-CG1 4.49Å; L188-I192 VanDerWaalsContact O-CG1 3.3Å; L188-I192 WeakPolarHBondContact O-CG1 3.47Å; L188-I192 PolarHBondContact O-N 3.02Å; L188-I192 VanDerWaalsContact O-N 3.14Å; L188-F224 HydrophobicContact CB-CZ 4.48Å; L188-F224 HydrophobicContact CD2-CE1 4.06Å; L188-F224 HydrophobicContact CD2-CE2 4.47Å; L188-F224 HydrophobicContact CD2-CZ 3.72Å; L188-F224 HydrophobicContact CG-CZ 3.93Å; L188-F270 HydrophobicContact CB-CE2 4.06Å; L188-F270 HydrophobicContact CB-CZ 3.81Å; L188-F270 HydrophobicContact CD2-CE1 4.29Å; L188-F270 HydrophobicContact CD2-CZ 3.63Å; L188-F270 HydrophobicContact CG-CZ 4.3Å
189R96.8Very high93.6Very high40 Ų4031 Ų3115%0.15117%0.171CC..Hα-helixtrans-53.3-47177.6180-85.4-170.2-172.6-2111.4L185 T186 A191 I192 T220 S222 F224 D233 M265 Y283L185-R189 PolarHBondContact O-N 2.73Å; T186-R189 WeakPolarHBondContact O-CB 3.45Å; T186-R189 PolarHBondContact O-N 3.47Å; R189-A191 VanDerWaalsContact C-N 3.32Å; R189-A191 PolarHBondContact O-N 2.82Å; R189-I192 PolarHBondContact O-N 3.01Å; R189-T220 PolarHBondContact NH2-O 3.16Å; R189-S222 PolarHBondContact NE-OG 2.89Å; R189-F224 HydrophobicContact CB-CE2 4.01Å; R189-D233 IonicContact CZ-OD2 3.83Å; R189-D233 IonicContact NE-OD2 3.5Å; R189-D233 PolarHBondContact NE-OD2 3.1Å; R189-D233 VanDerWaalsContact NE-OD2 3.17Å; R189-D233 IonicContact NH2-OD2 2.77Å; R189-M265 HydrophobicContact CB-SD 3.85Å; R189-M265 HydrophobicContact CG-SD 4.15Å; R189-Y283 HydrophobicContact CG-CE2 4.02Å
190D95.3Very high92.5Very high86 Ų8632.7 Ų32.746%0.4618%0.182SC..Hα-helixtrans-74-23.8-177-66.1-21.1000112.9T186 E187 L188 R235T186-D190 WeakPolarHBondContact O-CB 3.45Å; T186-D190 VanDerWaalsContact O-CG 3.24Å; T186-D190 PolarHBondContact O-N 2.96Å; E187-D190 PolarHBondContact O-N 3.36Å; L188-D190 VanDerWaalsContact C-N 3.28Å; L188-D190 PolarHBondContact O-N 3.31Å; D190-R235 IonicContact OD1-CZ 3.94Å; D190-R235 IonicContact OD1-NH1 2.89Å; D190-R235 IonicContact OD1-NH2 3.41Å; D190-R235 PolarHBondContact OD1-NH2 2.91Å; D190-R235 IonicContact OD2-CZ 2.82Å; D190-R235 IonicContact OD2-NH1 3.57Å; D190-R235 PolarHBondContact OD2-NH1 2.75Å; D190-R235 IonicContact OD2-NH2 3.82Å; D190-R235 PolarHBondContact OD2-NH2 2.87Å
191A94.3Very high91.5Very high37 Ų3734.8 Ų34.831%0.30619%0.193SC..Hα-helixtrans-79.3-18.4174.300000113.5L177 E187 L188 R189 F193 P313L177-A191 HydrophobicContact CD2-CB 3.95Å; E187-A191 WeakPolarHBondContact O-CB 3.48Å; E187-A191 PolarHBondContact O-N 2.88Å; E187-A191 VanDerWaalsContact O-N 3.09Å; L188-A191 PolarHBondContact O-N 2.86Å; L188-A191 VanDerWaalsContact O-N 3.15Å; R189-A191 VanDerWaalsContact C-N 3.32Å; R189-A191 PolarHBondContact O-N 2.82Å; A191-F193 PolarHBondContact O-N 3Å; A191-P313 HydrophobicContact CB-CB 4.01Å; A191-P313 HydrophobicContact CB-CG 4.01Å
192I93.2Very high90.1Very high8 Ų838.2 Ų38.24%0.04122%0.217CC..  trans-74.8116.3177.2-66.4159.8000109L152 L188 R189 F224 Y283L152-I192 HydrophobicContact CD1-CD1 4.43Å; L152-I192 HydrophobicContact CD1-CG1 4.16Å; L152-I192 HydrophobicContact CD2-CD1 3.4Å; L152-I192 HydrophobicContact CD2-CG1 3.71Å; L152-I192 HydrophobicContact CD2-CG2 4.3Å; L188-I192 HydrophobicContact CD1-CD1 4.4Å; L188-I192 HydrophobicContact CD1-CG1 4.31Å; L188-I192 HydrophobicContact CG-CD1 4.09Å; L188-I192 HydrophobicContact CG-CG1 4.49Å; L188-I192 VanDerWaalsContact O-CG1 3.3Å; L188-I192 WeakPolarHBondContact O-CG1 3.47Å; L188-I192 PolarHBondContact O-N 3.02Å; L188-I192 VanDerWaalsContact O-N 3.14Å; R189-I192 PolarHBondContact O-N 3.01Å; I192-F224 HydrophobicContact CD1-CE1 4.2Å; I192-F224 HydrophobicContact CD1-CZ 3.75Å; I192-Y283 HydrophobicContact CB-CE1 4.48Å; I192-Y283 HydrophobicContact CD1-CD1 3.97Å; I192-Y283 HydrophobicContact CD1-CE1 3.96Å; I192-Y283 HydrophobicContact CD1-CG 4.34Å; I192-Y283 HydrophobicContact CG2-CD1 4.47Å; I192-Y283 HydrophobicContact CG2-CE1 3.98Å
193F88.4Confident88.4Confident26 Ų2640.9 Ų40.911%0.11422%0.22CC..  trans-92.6121.4167.8174.6-95.1000110.7A191 P195 L382A191-F193 PolarHBondContact O-N 3Å; F193-P195 HydrophobicContact CE1-CG 4.17Å; F193-L382 HydrophobicContact CB-CD1 4.01Å; F193-L382 HydrophobicContact CD1-CD1 4.43Å; F193-L382 HydrophobicContact CD2-CD1 3.11Å; F193-L382 HydrophobicContact CD2-CG 3.95Å; F193-L382 HydrophobicContact CE2-CD1 3.52Å; F193-L382 HydrophobicContact CE2-CG 3.82Å; F193-L382 HydrophobicContact CG-CD1 3.59Å; F193-L382 HydrophobicContact CZ-CD1 4.35Å; F193-L382 HydrophobicContact CZ-CG 4.42Å
194C88.6Confident86.3Confident1 Ų149.1 Ų49.11%0.00725%0.251CS..  trans-124.2134.7168.2-179.40000110.1N196 D197 H285C194-N196 PolarHBondContact O-N 3.16Å; C194-N196 VanDerWaalsContact O-N 3.1Å; C194-D197 VanDerWaalsContact O-CB 3.28Å; C194-D197 WeakPolarHBondContact O-CB 3.25Å; C194-D197 PolarHBondContact O-N 2.72Å; C194-H285 WeakPolarHBondContact CB-CE1 3.25Å; C194-H285 WeakPolarHBondContact CB-NE2 3.2Å; C194-H285 VanDerWaalsContact SG-CE1 3.54Å; C194-H285 PolarHBondContact SG-NE2 2.84Å; C194-H285 VanDerWaalsContact SG-NE2 3.43Å
195P83.8Confident84.5Confident50 Ų5047.9 Ų47.933%0.32525%0.248SC..G310 helixtrans-53.5-32.1175.1-29.236.6000114.3F193 D197 C198 T199F193-P195 HydrophobicContact CE1-CG 4.17Å; P195-D197 PolarHBondContact O-N 2.58Å; P195-C198 PolarHBondContact O-N 2.85Å; P195-T199 PolarHBondContact O-N 2.91Å
196N87.7Confident82.1Confident67 Ų6752.5 Ų52.536%0.35830%0.296SS..G310 helixtrans-61.9-26.1178.7-69.8-13.7000112.9C194 C198 T199 A215 Q286 C289C194-N196 PolarHBondContact O-N 3.16Å; C194-N196 VanDerWaalsContact O-N 3.1Å; N196-C198 PolarHBondContact O-N 3.35Å; N196-T199 PolarHBondContact O-N 3.42Å; N196-T199 PolarHBondContact O-OG1 2.84Å; N196-A215 WeakPolarHBondContact O-CB 3.48Å; N196-Q286 HydrophobicContact CB-CG 4.15Å; N196-C289 PolarHBondContact ND2-SG 3.49Å
197D89.8Confident80.7Confident14 Ų1457 Ų578%0.07532%0.32CS..G310 helixtrans-65.2-26.8175-73.6-46000112.8C194 P195 A215 K216 H285 Q286C194-D197 VanDerWaalsContact O-CB 3.28Å; C194-D197 WeakPolarHBondContact O-CB 3.25Å; C194-D197 PolarHBondContact O-N 2.72Å; P195-D197 PolarHBondContact O-N 2.58Å; D197-A215 PolarHBondContact O-N 3.14Å; D197-K216 HydrophobicContact CB-CB 3.88Å; D197-K216 HydrophobicContact CB-CD 4.21Å; D197-K216 HydrophobicContact CB-CG 4.44Å; D197-K216 WeakPolarHBondContact O-CB 3.21Å; D197-K216 WeakPolarHBondContact O-CG 3.35Å; D197-K216 PolarHBondContact O-N 2.59Å; D197-H285 IonicContact OD1-CE1 3.84Å; D197-H285 PolarHBondContact OD1-CE1 3Å; D197-H285 IonicContact OD1-ND1 3.01Å; D197-H285 PolarHBondContact OD1-ND1 3.21Å; D197-H285 IonicContact OD2-CE1 3.53Å; D197-H285 IonicContact OD2-ND1 3.79Å; D197-Q286 PolarHBondContact OD1-NE2 2.9Å
198C84Confident78.6Confident19 Ų1955.2 Ų55.213%0.12832%0.321CS..G310 helixtrans-103.71-173.9-57.20000113.3P195 N196 M214 L377P195-C198 PolarHBondContact O-N 2.85Å; N196-C198 PolarHBondContact O-N 3.35Å; C198-M214 HydrophobicContact CB-SD 4.46Å; C198-L377 HydrophobicContact CB-CD1 3.12Å; C198-L377 HydrophobicContact CB-CG 4.43Å; C198-L377 WeakPolarHBondContact O-CD1 3.38Å
199T81.6Confident76.8Confident56 Ų5661 Ų6134%0.34435%0.348SS..  trans-53.4124.4172.1-57.50000109.5P195 N196 A215P195-T199 PolarHBondContact O-N 2.91Å; N196-T199 PolarHBondContact O-N 3.42Å; N196-T199 PolarHBondContact O-OG1 2.84Å; T199-A215 WeakPolarHBondContact O-CB 3.15Å; T199-A215 PolarHBondContact O-N 2.6Å
200P76.2Confident75.1Confident35 Ų3565.5 Ų65.523%0.22737%0.369CS..EExtended strand (participates in β ladder)trans-73.4138177.633.7-38.2000109.1L374 P375P200-L374 HydrophobicContact CG-CD2 4.26Å; P200-P375 HydrophobicContact CB-CG 4.5Å; P200-P375 VanDerWaalsContact CD-CD 3.43Å; P200-P375 VanDerWaalsContact CD-CG 3.46Å; P200-P375 HydrophobicContact CG-CG 3.68Å
201I76.3Confident73.9Confident46 Ų4667 Ų6724%0.23637%0.371CS..EExtended strand (participates in β ladder)trans-122.3116.1174.5-57.3-176000106.5K203 M213 A215 L218 F219I201-K203 PolarHBondContact O-N 3.08Å; I201-M213 PolarHBondContact N-O 2.81Å; I201-M213 PolarHBondContact O-N 2.76Å; I201-A215 HydrophobicContact CD1-CB 3.77Å; I201-A215 HydrophobicContact CG1-CB 4.28Å; I201-L218 HydrophobicContact CB-CD1 3.55Å; I201-L218 HydrophobicContact CD1-CD1 3.97Å; I201-L218 HydrophobicContact CG1-CD1 4.27Å; I201-L218 HydrophobicContact CG2-CD1 3.56Å; I201-F219 HydrophobicContact CD1-CD2 3.9Å; I201-F219 HydrophobicContact CD1-CE2 3.16Å; I201-F219 HydrophobicContact CD1-CZ 3.82Å
202S69.3Low72.9Confident72 Ų7270.6 Ų70.650%0.50339%0.385SS..EExtended strand (participates in β ladder)trans-78.9104.6175.6-55.30000108.8N212S202-N212 PolarHBondContact OG-OD1 3.25Å; S202-N212 VanDerWaalsContact OG-OD1 3.12Å
203K61.1Low72.2Confident117 Ų11772.6 Ų72.651%0.50940%0.395SS..EExtended strand (participates in β ladder)trans-88.9120.2172.8-174.2173-179.2176.30109.2I201 L205 K211I201-K203 PolarHBondContact O-N 3.08Å; K203-L205 PolarHBondContact O-N 3Å; K203-K211 PolarHBondContact N-O 3.16Å; K203-K211 PolarHBondContact O-N 3.12Å
204R54.4Low72.1Confident183 Ų18374.8 Ų74.869%0.69141%0.407SS*.EExtended strand (participates in β ladder)trans-67.9122.8170.5-169.1175.5177.8-176.5-0.4109.5F210R204-F210 HydrophobicContact CB-CD1 4.14Å; R204-F210 HydrophobicContact CB-CE1 3.84Å; R204-F210 HydrophobicContact CB-CZ 4.42Å; R204-F210 HydrophobicContact CG-CE1 4.22Å; R204-F210 HydrophobicContact CG-CZ 4.31Å
205L61.8Low72.1Confident64 Ų6475 Ų7534%0.33541%0.408SS..PPolyproline II helixtrans-82.3158.5173.6-62.7176.2000109.7K203 N207 G208 E209 K211K203-L205 PolarHBondContact O-N 3Å; L205-N207 WeakPolarHBondContact CB-OD1 3.4Å; L205-N207 PolarHBondContact O-N 2.82Å; L205-N207 VanDerWaalsContact O-N 3.11Å; L205-G208 PolarHBondContact O-N 2.91Å; L205-E209 WeakPolarHBondContact CB-O 3.42Å; L205-E209 HydrophobicContact CD1-CB 4.29Å; L205-E209 PolarHBondContact N-O 2.78Å; L205-K211 HydrophobicContact CD1-CB 4.12Å; L205-K211 HydrophobicContact CD2-CB 4.26Å; L205-K211 HydrophobicContact CG-CB 4.19Å
206G47.3Very low72.5Confident97 Ų9776.6 Ų76.6100%141%0.41SS*.THydrogen-bonded Turntrans-62.3-18.1-178.200000114.6G208G206-G208 VanDerWaalsContact C-N 3.34Å
207N69.8Low72.5Confident105 Ų10577.6 Ų77.656%0.56142%0.415SS*.THydrogen-bonded Turntrans-86.70.917565.4-10.7000113.7L205 E209L205-N207 WeakPolarHBondContact CB-OD1 3.4Å; L205-N207 PolarHBondContact O-N 2.82Å; L205-N207 VanDerWaalsContact O-N 3.11Å; N207-E209 PolarHBondContact ND2-OE2 2.85Å; N207-E209 WeakPolarHBondContact OD1-CB 3.35Å; N207-E209 PolarHBondContact OD1-N 3.08Å; N207-E209 VanDerWaalsContact OD1-N 3.11Å
208G53.1Low72.5Confident35 Ų3579.2 Ų79.236%0.36142%0.424SS..SBendtrans89.1-6.9-177.900000115.1L205 G206L205-G208 PolarHBondContact O-N 2.91Å; G206-G208 VanDerWaalsContact C-N 3.34Å
209E60.6Low72.9Confident122 Ų12283.5 Ų83.557%0.5744%0.44SS*.  trans-77.5157.4174.6-64.4177.4159.300111.4L205 N207L205-E209 WeakPolarHBondContact CB-O 3.42Å; L205-E209 HydrophobicContact CD1-CB 4.29Å; L205-E209 PolarHBondContact N-O 2.78Å; N207-E209 PolarHBondContact ND2-OE2 2.85Å; N207-E209 WeakPolarHBondContact OD1-CB 3.35Å; N207-E209 PolarHBondContact OD1-N 3.08Å; N207-E209 VanDerWaalsContact OD1-N 3.11Å
210F61.3Low73.5Confident136 Ų13681.8 Ų81.860%0.59643%0.43SS*.EExtended strand (participates in β ladder)trans-106.3132.2174.3-69.4-91.8000110.2R204R204-F210 HydrophobicContact CB-CD1 4.14Å; R204-F210 HydrophobicContact CB-CE1 3.84Å; R204-F210 HydrophobicContact CB-CZ 4.42Å; R204-F210 HydrophobicContact CG-CE1 4.22Å; R204-F210 HydrophobicContact CG-CZ 4.31Å
211K70.1Confident74.5Confident117 Ų11780.4 Ų80.451%0.50942%0.422SS..EExtended strand (participates in β ladder)trans-107.4121.2169.6-173.8176.4-178.6177.60109.6K203 L205 M213K203-K211 PolarHBondContact N-O 3.16Å; K203-K211 PolarHBondContact O-N 3.12Å; L205-K211 HydrophobicContact CD1-CB 4.12Å; L205-K211 HydrophobicContact CD2-CB 4.26Å; L205-K211 HydrophobicContact CG-CB 4.19Å; K211-M213 HydrophobicContact CD-CG 4.39Å; K211-M213 HydrophobicContact CD-SD 4.45Å; K211-M213 HydrophobicContact CG-CG 4.2Å
212N72.1Confident75.5Confident113 Ų11378.3 Ų78.360%0.60441%0.411SS*.EExtended strand (participates in β ladder)trans-76.1125.2172.4-65.2-21.7000109.3S202S202-N212 PolarHBondContact OG-OD1 3.25Å; S202-N212 VanDerWaalsContact OG-OD1 3.12Å
213M79.6Confident76.9Confident49 Ų4974.9 Ų74.924%0.24139%0.387CS..EExtended strand (participates in β ladder)trans-129.6145.7174.1-64-17860.800109I201 K211 N217 L218I201-M213 PolarHBondContact N-O 2.81Å; I201-M213 PolarHBondContact O-N 2.76Å; K211-M213 HydrophobicContact CD-CG 4.39Å; K211-M213 HydrophobicContact CD-SD 4.45Å; K211-M213 HydrophobicContact CG-CG 4.2Å; M213-N217 HydrophobicContact CE-CB 4.29Å; M213-L218 HydrophobicContact CB-CD1 3.98Å; M213-L218 HydrophobicContact CB-CD2 4.49Å; M213-L218 HydrophobicContact CB-CG 4.05Å; M213-L218 HydrophobicContact CE-CD2 3.64Å; M213-L218 HydrophobicContact CE-CG 4.09Å; M213-L218 HydrophobicContact SD-CD2 3.76Å; M213-L218 HydrophobicContact SD-CG 4.35Å
214M85.6Confident78.6Confident73 Ų7369.3 Ų69.336%0.3636%0.363SS..EExtended strand (participates in β ladder)trans-69.1144.2170.9-71.3-177.1-76.300110.3C198 K216 N217C198-M214 HydrophobicContact CB-SD 4.46Å; M214-K216 VanDerWaalsContact C-N 3.27Å; M214-K216 HydrophobicContact CB-CG 4.14Å; M214-K216 PolarHBondContact O-N 3.37Å; M214-N217 WeakPolarHBondContact O-CB 3.43Å; M214-N217 PolarHBondContact O-N 3.18Å
215A89.3Confident80.7Confident4 Ų461.6 Ų61.63%0.03333%0.334CS..Hα-helixtrans-52.2-43.3179.300000112.7N196 D197 T199 I201 N217 L218 F219 Q286N196-A215 WeakPolarHBondContact O-CB 3.48Å; D197-A215 PolarHBondContact O-N 3.14Å; T199-A215 WeakPolarHBondContact O-CB 3.15Å; T199-A215 PolarHBondContact O-N 2.6Å; I201-A215 HydrophobicContact CD1-CB 3.77Å; I201-A215 HydrophobicContact CG1-CB 4.28Å; A215-N217 PolarHBondContact O-N 2.86Å; A215-N217 VanDerWaalsContact O-N 3.07Å; A215-L218 PolarHBondContact O-N 3.49Å; A215-F219 HydrophobicContact CB-CD2 4.37Å; A215-F219 PolarHBondContact O-N 3.33Å; A215-Q286 VanDerWaalsContact C-OE1 3.22Å; A215-Q286 VanDerWaalsContact CB-OE1 3.25Å; A215-Q286 PolarHBondContact O-OE1 2.96Å
216K90.4Very high82.4Confident85 Ų8558.6 Ų58.637%0.3732%0.319SS..Hα-helixtrans-57.5-25.5176.671.6179.1-173.6176.70115.4D197 M214D197-K216 HydrophobicContact CB-CB 3.88Å; D197-K216 HydrophobicContact CB-CD 4.21Å; D197-K216 HydrophobicContact CB-CG 4.44Å; D197-K216 WeakPolarHBondContact O-CB 3.21Å; D197-K216 WeakPolarHBondContact O-CG 3.35Å; D197-K216 PolarHBondContact O-N 2.59Å; M214-K216 VanDerWaalsContact C-N 3.27Å; M214-K216 HydrophobicContact CB-CG 4.14Å; M214-K216 PolarHBondContact O-N 3.37Å
217N88.9Confident84.7Confident88 Ų8856.2 Ų56.247%0.47128%0.283SS..Hα-helixtrans-86.2-16.3179-63.6-14.9000112.2M213 M214 A215M213-N217 HydrophobicContact CE-CB 4.29Å; M214-N217 WeakPolarHBondContact O-CB 3.43Å; M214-N217 PolarHBondContact O-N 3.18Å; A215-N217 PolarHBondContact O-N 2.86Å; A215-N217 VanDerWaalsContact O-N 3.07Å
218L89.7Confident85.9Confident47 Ų4751.7 Ų51.725%0.24626%0.261CS..Hα-helixtrans-101.4-43178.3-72.2172.9000111.7I201 M213 A215I201-L218 HydrophobicContact CB-CD1 3.55Å; I201-L218 HydrophobicContact CD1-CD1 3.97Å; I201-L218 HydrophobicContact CG1-CD1 4.27Å; I201-L218 HydrophobicContact CG2-CD1 3.56Å; M213-L218 HydrophobicContact CB-CD1 3.98Å; M213-L218 HydrophobicContact CB-CD2 4.49Å; M213-L218 HydrophobicContact CB-CG 4.05Å; M213-L218 HydrophobicContact CE-CD2 3.64Å; M213-L218 HydrophobicContact CE-CG 4.09Å; M213-L218 HydrophobicContact SD-CD2 3.76Å; M213-L218 HydrophobicContact SD-CG 4.35Å; A215-L218 PolarHBondContact O-N 3.49Å
219F92.7Very high88Confident109 Ų10951.4 Ų51.448%0.47825%0.252SS..  trans-107.382179.8-48.8-53.3000109.1I201 A215I201-F219 HydrophobicContact CD1-CD2 3.9Å; I201-F219 HydrophobicContact CD1-CE2 3.16Å; I201-F219 HydrophobicContact CD1-CZ 3.82Å; A215-F219 HydrophobicContact CB-CD2 4.37Å; A215-F219 PolarHBondContact O-N 3.33Å
220T94.7Very high89.8Confident20 Ų2046 Ų4612%0.12323%0.227CC..  trans-80.2-21.9-175.655.60000112.8R189 E236 S239R189-T220 PolarHBondContact NH2-O 3.16Å; T220-E236 HydrophobicContact CG2-CB 4.35Å; T220-E236 HydrophobicContact CG2-CG 4.07Å; T220-S239 WeakPolarHBondContact CB-OG 3.42Å; T220-S239 WeakPolarHBondContact OG1-CA 3.1Å; T220-S239 PolarHBondContact OG1-OG 3.11Å
221G95.8Very high91.5Very high6 Ų640.3 Ų40.36%0.06220%0.202CC..  trans-68.2132.4178.300000112.4S239G221-S239 PolarHBondContact N-OG 2.86Å
222S97.6Very high92.9Very high2 Ų234.9 Ų34.91%0.01418%0.178CC..  trans-147.5167.1172.760.60000109.6R189 D233 I284R189-S222 PolarHBondContact NE-OG 2.89Å; S222-D233 PolarHBondContact O-N 3.05Å; S222-D233 VanDerWaalsContact OG-CB 3.31Å; S222-D233 WeakPolarHBondContact OG-CB 3.27Å; S222-I284 CarbonylContact C-O 3.53Å; S222-I284 VanDerWaalsContact CA-O 3.23Å; S222-I284 WeakPolarHBondContact CA-O 3.39Å; S222-I284 VanDerWaalsContact CB-O 3.3Å; S222-I284 WeakPolarHBondContact CB-O 3.32Å
223L97.9Very high94.1Very high0 Ų029.7 Ų29.70%015%0.15CC..EExtended strand (participates in β ladder)trans-144.1151.2173.167.578.2000112.9F230 Y231 N232 L242 I246 Y283 I284L223-F230 HydrophobicContact CD1-CD1 4.05Å; L223-F230 HydrophobicContact CD2-CD1 4.15Å; L223-Y231 CarbonylContact C-O 3.57Å; L223-Y231 WeakPolarHBondContact CA-O 3.36Å; L223-N232 WeakPolarHBondContact CB-OD1 3.38Å; L223-L242 HydrophobicContact CD2-CB 3.75Å; L223-L242 HydrophobicContact CG-CB 4.35Å; L223-I246 HydrophobicContact CD2-CD1 4.34Å; L223-Y283 CarbonylContact O-C 3.59Å; L223-Y283 WeakPolarHBondContact O-CA 3.42Å; L223-Y283 VanDerWaalsContact O-CD2 3.3Å; L223-Y283 WeakPolarHBondContact O-CD2 3.38Å; L223-I284 HydrophobicContact CD1-CB 4.1Å; L223-I284 HydrophobicContact CD1-CD1 4.06Å; L223-I284 HydrophobicContact CD1-CG1 3.89Å; L223-I284 HydrophobicContact CG-CB 4.11Å; L223-I284 HydrophobicContact CG-CG1 4.42Å; L223-I284 PolarHBondContact N-O 2.95Å; L223-I284 PolarHBondContact O-N 2.99Å
224F98.4Very high94.9Very high0 Ų029.5 Ų29.50%015%0.15CC..EExtended strand (participates in β ladder)trans-104.1144.9158.4-75.5-74.9000109.8L185 L188 R189 I192 F226 F230 Y231 M265 V282 Y283 V293L185-F224 HydrophobicContact CB-CD2 4.39Å; L188-F224 HydrophobicContact CB-CZ 4.48Å; L188-F224 HydrophobicContact CD2-CE1 4.06Å; L188-F224 HydrophobicContact CD2-CE2 4.47Å; L188-F224 HydrophobicContact CD2-CZ 3.72Å; L188-F224 HydrophobicContact CG-CZ 3.93Å; R189-F224 HydrophobicContact CB-CE2 4.01Å; I192-F224 HydrophobicContact CD1-CE1 4.2Å; I192-F224 HydrophobicContact CD1-CZ 3.75Å; F224-F226 HydrophobicContact CB-CD2 3.84Å; F224-F226 HydrophobicContact CB-CE2 3.52Å; F224-F226 HydrophobicContact CB-CZ 4.49Å; F224-F226 AromaticContact CD1-CE2 3.79Å; F224-F226 HydrophobicContact CD1-CE2 3.79Å; F224-F226 HydrophobicContact CD1-CZ 4.01Å; F224-F226 AromaticContact CG-CE2 3.73Å; F224-F226 HydrophobicContact CG-CE2 3.73Å; F224-F226 HydrophobicContact CG-CZ 4.41Å; F224-F230 CarbonylContact O-C 3.57Å; F224-F230 WeakPolarHBondContact O-CA 3.41Å; F224-Y231 PolarHBondContact N-O 2.95Å; F224-Y231 PolarHBondContact O-N 2.75Å; F224-M265 HydrophobicContact CD2-CE 3.62Å; F224-M265 HydrophobicContact CD2-SD 4Å; F224-M265 HydrophobicContact CE2-CE 4.2Å; F224-M265 HydrophobicContact CE2-SD 4.17Å; F224-M265 HydrophobicContact CG-CE 4.49Å; F224-V282 CarbonylContact C-O 3.6Å; F224-V282 WeakPolarHBondContact CA-O 3.29Å; F224-Y283 AromaticContact CD1-CD2 3.79Å; F224-Y283 HydrophobicContact CD1-CD2 3.79Å; F224-Y283 HydrophobicContact CD1-CG 4.08Å; F224-Y283 HydrophobicContact CD2-CD2 4.3Å; F224-Y283 AromaticContact CE1-CD2 3.55Å; F224-Y283 HydrophobicContact CE1-CD2 3.55Å; F224-Y283 HydrophobicContact CE1-CE2 4.47Å; F224-Y283 AromaticContact CE1-CG 3.69Å; F224-Y283 HydrophobicContact CE1-CG 3.69Å; F224-Y283 HydrophobicContact CE2-CD2 4.08Å; F224-Y283 HydrophobicContact CE2-CE2 4.37Å; F224-Y283 HydrophobicContact CG-CD2 4.15Å; F224-Y283 AromaticContact CZ-CD2 3.69Å; F224-Y283 HydrophobicContact CZ-CD2 3.69Å; F224-Y283 HydrophobicContact CZ-CE2 4.18Å; F224-Y283 HydrophobicContact CZ-CG 4.14Å; F224-V293 HydrophobicContact CD1-CG2 4.24Å; F224-V293 HydrophobicContact CE1-CG2 4.01Å
225Y97.7Very high95.4Very high22 Ų2230.4 Ų30.49%0.08615%0.149CC..EExtended strand (participates in β ladder)trans-114.4106.4170.1171.7-103.4000109.6M1 G228 V229 F230 F260 Y281 V282M1-Y225 HydrophobicContact CG-CE1 4.23Å; M1-Y225 VanDerWaalsContact CG-OH 3.25Å; M1-Y225 WeakPolarHBondContact CG-OH 3.37Å; Y225-G228 WeakPolarHBondContact OH-CA 3.44Å; Y225-G228 PolarHBondContact OH-N 3.39Å; Y225-V229 WeakPolarHBondContact CA-O 3.42Å; Y225-F230 AromaticContact CD2-CD1 3.75Å; Y225-F230 HydrophobicContact CD2-CD1 3.75Å; Y225-F230 HydrophobicContact CD2-CD2 4.47Å; Y225-F230 AromaticContact CD2-CE1 3.5Å; Y225-F230 HydrophobicContact CD2-CE1 3.5Å; Y225-F230 VanDerWaalsContact CD2-CE1 3.5Å; Y225-F230 HydrophobicContact CD2-CE2 4.26Å; Y225-F230 HydrophobicContact CD2-CG 4.24Å; Y225-F230 AromaticContact CD2-CZ 3.77Å; Y225-F230 HydrophobicContact CD2-CZ 3.77Å; Y225-F230 HydrophobicContact CE2-CE1 4.27Å; Y225-F230 HydrophobicContact CE2-CE2 4.41Å; Y225-F230 HydrophobicContact CE2-CZ 4.09Å; Y225-F230 HydrophobicContact CG-CD1 4.34Å; Y225-F230 HydrophobicContact CG-CE1 4.07Å; Y225-F260 HydrophobicContact CE2-CD1 4Å; Y225-F260 AromaticContact CE2-CE1 3.89Å; Y225-F260 HydrophobicContact CE2-CE1 3.89Å; Y225-Y281 VanDerWaalsContact O-CB 3.26Å; Y225-Y281 WeakPolarHBondContact O-CB 3.33Å; Y225-Y281 WeakPolarHBondContact O-CD1 3.26Å; Y225-V282 PolarHBondContact N-O 3.12Å; Y225-V282 PolarHBondContact O-N 3.18Å
226F97.3Very high95.7Very high1 Ų135.5 Ų35.50%0.00417%0.172CC..EExtended strand (participates in β ladder)trans-117.9121.9172-63.8-80.3000110.6F224 G228 V229 Y231 L273 I275 Y281 V293F224-F226 HydrophobicContact CB-CD2 3.84Å; F224-F226 HydrophobicContact CB-CE2 3.52Å; F224-F226 HydrophobicContact CB-CZ 4.49Å; F224-F226 AromaticContact CD1-CE2 3.79Å; F224-F226 HydrophobicContact CD1-CE2 3.79Å; F224-F226 HydrophobicContact CD1-CZ 4.01Å; F224-F226 AromaticContact CG-CE2 3.73Å; F224-F226 HydrophobicContact CG-CE2 3.73Å; F224-F226 HydrophobicContact CG-CZ 4.41Å; F226-G228 VanDerWaalsContact C-N 3.29Å; F226-G228 PolarHBondContact O-N 3Å; F226-V229 PolarHBondContact N-O 3.16Å; F226-V229 PolarHBondContact O-N 3.29Å; F226-Y231 HydrophobicContact CB-CE2 3.9Å; F226-Y231 HydrophobicContact CD2-CD2 4.07Å; F226-Y231 HydrophobicContact CD2-CE2 4.11Å; F226-L273 HydrophobicContact CD2-CD1 4.24Å; F226-L273 HydrophobicContact CD2-CD2 4.44Å; F226-L273 HydrophobicContact CE2-CD1 4.39Å; F226-L273 HydrophobicContact CG-CD1 4.44Å; F226-I275 HydrophobicContact CD1-CG2 4.21Å; F226-Y281 HydrophobicContact CB-CD1 4.36Å; F226-Y281 AromaticContact CD1-CD1 3.87Å; F226-Y281 HydrophobicContact CD1-CD1 3.87Å; F226-Y281 AromaticContact CD1-CD2 3.41Å; F226-Y281 HydrophobicContact CD1-CD2 3.41Å; F226-Y281 VanDerWaalsContact CD1-CD2 3.41Å; F226-Y281 HydrophobicContact CD1-CE1 4.36Å; F226-Y281 AromaticContact CD1-CE2 3.93Å; F226-Y281 HydrophobicContact CD1-CE2 3.93Å; F226-Y281 AromaticContact CD1-CG 3.35Å; F226-Y281 HydrophobicContact CD1-CG 3.35Å; F226-Y281 AromaticContact CE1-CD2 3.67Å; F226-Y281 HydrophobicContact CE1-CD2 3.67Å; F226-Y281 HydrophobicContact CE1-CE2 4.45Å; F226-Y281 AromaticContact CE1-CG 3.78Å; F226-Y281 HydrophobicContact CE1-CG 3.78Å; F226-Y281 HydrophobicContact CG-CD1 4.49Å; F226-Y281 HydrophobicContact CG-CG 4.32Å; F226-V293 HydrophobicContact CE1-CG1 4.15Å; F226-V293 HydrophobicContact CZ-CG1 4.01Å
227N95Very high95.8Very high46 Ų4641.7 Ų41.725%0.24620%0.199CC..THydrogen-bonded Turntrans47.343.1166.7-163.530.1000115.5N274 Y281N227-N274 WeakPolarHBondContact CB-O 3.44Å; N227-N274 PolarHBondContact ND2-O 2.96Å; N227-Y281 HydrophobicContact CB-CE1 4.14Å
228G95.1Very high96Very high10 Ų1041.7 Ų41.710%0.10321%0.206CC..THydrogen-bonded Turntrans96.6-4.5178.500000115.2Y225 F226 F260 S261Y225-G228 WeakPolarHBondContact OH-CA 3.44Å; Y225-G228 PolarHBondContact OH-N 3.39Å; F226-G228 VanDerWaalsContact C-N 3.29Å; F226-G228 PolarHBondContact O-N 3Å; G228-F260 VanDerWaalsContact O-CA 3.29Å; G228-F260 WeakPolarHBondContact O-CA 3.22Å; G228-S261 PolarHBondContact O-N 3.32Å
229V97.7Very high96.3Very high29 Ų2940.2 Ų40.218%0.17620%0.2CC..EExtended strand (participates in β ladder)trans-111.9131.5179.1-168.60000110.3Y225 F226 Y231 S261 A263Y225-V229 WeakPolarHBondContact CA-O 3.42Å; F226-V229 PolarHBondContact N-O 3.16Å; F226-V229 PolarHBondContact O-N 3.29Å; V229-Y231 HydrophobicContact CB-CD2 4.35Å; V229-Y231 HydrophobicContact CB-CE1 4.45Å; V229-Y231 HydrophobicContact CB-CE2 3.57Å; V229-Y231 HydrophobicContact CG1-CD1 4.33Å; V229-Y231 HydrophobicContact CG1-CD2 4.25Å; V229-Y231 HydrophobicContact CG1-CE1 3.82Å; V229-Y231 HydrophobicContact CG1-CE2 3.73Å; V229-S261 WeakPolarHBondContact CA-O 3.48Å; V229-S261 WeakPolarHBondContact CG2-OG 3.41Å; V229-A263 HydrophobicContact CG1-CB 4.11Å
230F98.3Very high96.4Very high9 Ų939.6 Ų39.64%0.03921%0.205CC..EExtended strand (participates in β ladder)trans-94.8116.7168.9-62.5-81.1000109.7L223 F224 Y225 I246 L247 F260 S261 T262 A263L223-F230 HydrophobicContact CD1-CD1 4.05Å; L223-F230 HydrophobicContact CD2-CD1 4.15Å; F224-F230 CarbonylContact O-C 3.57Å; F224-F230 WeakPolarHBondContact O-CA 3.41Å; Y225-F230 AromaticContact CD2-CD1 3.75Å; Y225-F230 HydrophobicContact CD2-CD1 3.75Å; Y225-F230 HydrophobicContact CD2-CD2 4.47Å; Y225-F230 AromaticContact CD2-CE1 3.5Å; Y225-F230 HydrophobicContact CD2-CE1 3.5Å; Y225-F230 VanDerWaalsContact CD2-CE1 3.5Å; Y225-F230 HydrophobicContact CD2-CE2 4.26Å; Y225-F230 HydrophobicContact CD2-CG 4.24Å; Y225-F230 AromaticContact CD2-CZ 3.77Å; Y225-F230 HydrophobicContact CD2-CZ 3.77Å; Y225-F230 HydrophobicContact CE2-CE1 4.27Å; Y225-F230 HydrophobicContact CE2-CE2 4.41Å; Y225-F230 HydrophobicContact CE2-CZ 4.09Å; Y225-F230 HydrophobicContact CG-CD1 4.34Å; Y225-F230 HydrophobicContact CG-CE1 4.07Å; F230-I246 HydrophobicContact CE1-CD1 4.12Å; F230-I246 HydrophobicContact CE1-CG2 4.1Å; F230-I246 HydrophobicContact CE2-CG2 4.43Å; F230-I246 HydrophobicContact CZ-CB 4.38Å; F230-I246 HydrophobicContact CZ-CG2 3.62Å; F230-L247 HydrophobicContact CD2-CD2 3.94Å; F230-L247 HydrophobicContact CD2-CG 4.48Å; F230-L247 HydrophobicContact CE2-CD2 3.81Å; F230-L247 HydrophobicContact CE2-CG 4.46Å; F230-F260 HydrophobicContact CD2-CB 4.24Å; F230-F260 HydrophobicContact CE2-CB 3.76Å; F230-F260 HydrophobicContact CE2-CD1 4.02Å; F230-F260 HydrophobicContact CE2-CD2 4.06Å; F230-F260 AromaticContact CE2-CG 3.7Å; F230-F260 HydrophobicContact CE2-CG 3.7Å; F230-F260 HydrophobicContact CZ-CD1 4.5Å; F230-F260 HydrophobicContact CZ-CG 4.43Å; F230-S261 PolarHBondContact N-O 2.77Å; F230-T262 HydrophobicContact CB-CG2 4.31Å; F230-T262 CarbonylContact O-C 3.55Å; F230-T262 VanDerWaalsContact O-CA 3.23Å; F230-T262 WeakPolarHBondContact O-CA 3.19Å; F230-A263 PolarHBondContact O-N 3.39Å
231Y98.6Very high96.5Very high17 Ų1740.8 Ų40.87%0.06721%0.211CC..EExtended strand (participates in β ladder)trans-98.6100.4177.3-58.7-88.9000108.5L185 L223 F224 F226 V229 A263 M265 T268 L273L185-Y231 HydrophobicContact CD1-CD1 3.65Å; L185-Y231 HydrophobicContact CD1-CD2 4.07Å; L185-Y231 HydrophobicContact CD1-CE1 4.28Å; L185-Y231 HydrophobicContact CD1-CG 3.52Å; L223-Y231 CarbonylContact C-O 3.57Å; L223-Y231 WeakPolarHBondContact CA-O 3.36Å; F224-Y231 PolarHBondContact N-O 2.95Å; F224-Y231 PolarHBondContact O-N 2.75Å; F226-Y231 HydrophobicContact CB-CE2 3.9Å; F226-Y231 HydrophobicContact CD2-CD2 4.07Å; F226-Y231 HydrophobicContact CD2-CE2 4.11Å; V229-Y231 HydrophobicContact CB-CD2 4.35Å; V229-Y231 HydrophobicContact CB-CE1 4.45Å; V229-Y231 HydrophobicContact CB-CE2 3.57Å; V229-Y231 HydrophobicContact CG1-CD1 4.33Å; V229-Y231 HydrophobicContact CG1-CD2 4.25Å; V229-Y231 HydrophobicContact CG1-CE1 3.82Å; V229-Y231 HydrophobicContact CG1-CE2 3.73Å; Y231-A263 CarbonylContact C-O 3.5Å; Y231-A263 WeakPolarHBondContact CA-O 3.46Å; Y231-A263 HydrophobicContact CD1-CB 3.69Å; Y231-A263 HydrophobicContact CE1-CB 3.86Å; Y231-M265 WeakPolarHBondContact O-CE 3.29Å; Y231-T268 HydrophobicContact CD1-CG2 3.75Å; Y231-T268 HydrophobicContact CE1-CG2 3.51Å; Y231-L273 HydrophobicContact CE1-CD2 4.09Å; Y231-L273 HydrophobicContact CE2-CD2 3.95Å; Y231-L273 WeakPolarHBondContact OH-CD2 3.38Å
232N98.4Very high96.5Very high3 Ų341.9 Ų41.92%0.01622%0.215CC..EExtended strand (participates in β ladder)trans-90.7130.9-172.6-60.3-42.4000110.5L223 L234 D241 S243 A263 M265L223-N232 WeakPolarHBondContact CB-OD1 3.38Å; N232-L234 HydrophobicContact CB-CD1 4.09Å; N232-L234 HydrophobicContact CB-CD2 4.31Å; N232-L234 HydrophobicContact CB-CG 3.9Å; N232-L234 PolarHBondContact O-N 2.93Å; N232-D241 PolarHBondContact ND2-OD1 3.46Å; N232-D241 VanDerWaalsContact ND2-OD1 3.07Å; N232-D241 PolarHBondContact ND2-OD2 3.2Å; N232-D241 VanDerWaalsContact ND2-OD2 3.14Å; N232-S243 PolarHBondContact ND2-OG 3.01Å; N232-S243 WeakPolarHBondContact OD1-CB 3.46Å; N232-A263 PolarHBondContact N-O 2.99Å; N232-M265 WeakPolarHBondContact O-CB 3.36Å; N232-M265 PolarHBondContact O-N 3.47Å
233D98Very high96.5Very high3 Ų341.8 Ų41.82%0.01621%0.214CC..  trans-78.598.3172.6-171.7-4.6000109.4R189 S222 R235 S239 M265R189-D233 IonicContact CZ-OD2 3.83Å; R189-D233 IonicContact NE-OD2 3.5Å; R189-D233 PolarHBondContact NE-OD2 3.1Å; R189-D233 VanDerWaalsContact NE-OD2 3.17Å; R189-D233 IonicContact NH2-OD2 2.77Å; S222-D233 PolarHBondContact O-N 3.05Å; S222-D233 VanDerWaalsContact OG-CB 3.31Å; S222-D233 WeakPolarHBondContact OG-CB 3.27Å; D233-R235 WeakPolarHBondContact OD1-CG 3.47Å; D233-R235 IonicContact OD1-CZ 3.77Å; D233-R235 PolarHBondContact OD1-N 3.15Å; D233-R235 IonicContact OD1-NE 3.39Å; D233-R235 PolarHBondContact OD1-NE 3.1Å; D233-R235 IonicContact OD1-NH2 3.11Å; D233-R235 IonicContact OD2-CZ 2.76Å; D233-R235 IonicContact OD2-NE 3.53Å; D233-R235 PolarHBondContact OD2-NE 3.36Å; D233-R235 IonicContact OD2-NH2 3.95Å; D233-R235 PolarHBondContact OD2-NH2 3.38Å; D233-S239 WeakPolarHBondContact O-CB 3.26Å; D233-S239 PolarHBondContact O-OG 3.23Å; D233-M265 HydrophobicContact CB-CB 4.43Å; D233-M265 HydrophobicContact CB-CE 3.81Å; D233-M265 HydrophobicContact CB-SD 3.9Å
234L96.5Very high96.4Very high45 Ų4545.6 Ų45.624%0.23624%0.238CC..  trans-11826.4-176.9-60.1178.3000111.2N232 E236 D241N232-L234 HydrophobicContact CB-CD1 4.09Å; N232-L234 HydrophobicContact CB-CD2 4.31Å; N232-L234 HydrophobicContact CB-CG 3.9Å; N232-L234 PolarHBondContact O-N 2.93Å; L234-E236 VanDerWaalsContact C-N 3.32Å; L234-E236 PolarHBondContact O-N 3.38Å; L234-D241 HydrophobicContact CD2-CB 4.26Å
235R96.3Very high96.3Very high93 Ų9349.8 Ų49.835%0.35126%0.264SS..  trans-60.2-43.9178.3-71.7-179.3-71.8174.40.4111.5T186 D190 D233 E266T186-R235 HydrophobicContact CG2-CG 4.37Å; D190-R235 IonicContact OD1-CZ 3.94Å; D190-R235 IonicContact OD1-NH1 2.89Å; D190-R235 IonicContact OD1-NH2 3.41Å; D190-R235 PolarHBondContact OD1-NH2 2.91Å; D190-R235 IonicContact OD2-CZ 2.82Å; D190-R235 IonicContact OD2-NH1 3.57Å; D190-R235 PolarHBondContact OD2-NH1 2.75Å; D190-R235 IonicContact OD2-NH2 3.82Å; D190-R235 PolarHBondContact OD2-NH2 2.87Å; D233-R235 WeakPolarHBondContact OD1-CG 3.47Å; D233-R235 IonicContact OD1-CZ 3.77Å; D233-R235 PolarHBondContact OD1-N 3.15Å; D233-R235 IonicContact OD1-NE 3.39Å; D233-R235 PolarHBondContact OD1-NE 3.1Å; D233-R235 IonicContact OD1-NH2 3.11Å; D233-R235 IonicContact OD2-CZ 2.76Å; D233-R235 IonicContact OD2-NE 3.53Å; D233-R235 PolarHBondContact OD2-NE 3.36Å; D233-R235 IonicContact OD2-NH2 3.95Å; D233-R235 PolarHBondContact OD2-NH2 3.38Å; R235-E266 WeakPolarHBondContact CA-OE1 3.4Å; R235-E266 HydrophobicContact CG-CB 3.67Å; R235-E266 HydrophobicContact CG-CG 4.1Å; R235-E266 PolarHBondContact N-OE1 2.91Å; R235-E266 VanDerWaalsContact N-OE1 3.08Å
236E95.1Very high96.1Very high111 Ų11150.9 Ų50.952%0.51927%0.271SS..SBendtrans-86.9134.6176.6-66.2-6215900110.6T220 L234 S238 S239T220-E236 HydrophobicContact CG2-CB 4.35Å; T220-E236 HydrophobicContact CG2-CG 4.07Å; L234-E236 VanDerWaalsContact C-N 3.32Å; L234-E236 PolarHBondContact O-N 3.38Å; E236-S238 PolarHBondContact O-N 3.28Å; E236-S238 VanDerWaalsContact O-N 3.11Å; E236-S239 WeakPolarHBondContact O-CB 2.86Å; E236-S239 PolarHBondContact O-N 3.43Å; E236-S239 PolarHBondContact O-OG 3.38Å
237K92.8Very high96Very high214 Ų21452.8 Ų52.893%0.9328%0.281SS*.THydrogen-bonded Turntrans-60.4-26.9-179.6-172.3177.1179.1-1790112.7
238S91.9Very high96Very high88 Ų8857.1 Ų57.162%0.61530%0.298SS*.THydrogen-bonded Turntrans-85.5-3.6176.753.50000114.1E236 T240E236-S238 PolarHBondContact O-N 3.28Å; E236-S238 VanDerWaalsContact O-N 3.11Å; S238-T240 PolarHBondContact O-N 2.87Å
239S95.6Very high96Very high16 Ų1662.3 Ų62.311%0.11232%0.315CS..  trans-61.9129179-76.30000110.9T220 G221 D233 E236T220-S239 WeakPolarHBondContact CB-OG 3.42Å; T220-S239 WeakPolarHBondContact OG1-CA 3.1Å; T220-S239 PolarHBondContact OG1-OG 3.11Å; G221-S239 PolarHBondContact N-OG 2.86Å; D233-S239 WeakPolarHBondContact O-CB 3.26Å; D233-S239 PolarHBondContact O-OG 3.23Å; E236-S239 WeakPolarHBondContact O-CB 2.86Å; E236-S239 PolarHBondContact O-N 3.43Å; E236-S239 PolarHBondContact O-OG 3.38Å
240T95.1Very high95.8Very high96 Ų9661.4 Ų61.459%0.58931%0.31SS*.  trans-82.7131.8173-59.50000109.5S238 L242S238-T240 PolarHBondContact O-N 2.87Å; T240-L242 HydrophobicContact CG2-CD2 4.31Å; T240-L242 PolarHBondContact O-N 2.87Å; T240-L242 VanDerWaalsContact O-N 3.1Å
241D96.6Very high95.4Very high45 Ų4568 Ų6824%0.24134%0.341CS..  trans-72.9100.9171.6-172.5-28.8000110N232 L234 S243 V244N232-D241 PolarHBondContact ND2-OD1 3.46Å; N232-D241 VanDerWaalsContact ND2-OD1 3.07Å; N232-D241 PolarHBondContact ND2-OD2 3.2Å; N232-D241 VanDerWaalsContact ND2-OD2 3.14Å; L234-D241 HydrophobicContact CD2-CB 4.26Å; D241-S243 PolarHBondContact O-N 3.46Å; D241-S243 WeakPolarHBondContact OD1-CA 3Å; D241-S243 VanDerWaalsContact OD1-CB 3.29Å; D241-S243 WeakPolarHBondContact OD1-CB 3.36Å; D241-S243 PolarHBondContact OD1-N 3.03Å; D241-S243 PolarHBondContact OD1-OG 3.29Å; D241-V244 HydrophobicContact CB-CG2 3.91Å; D241-V244 PolarHBondContact O-N 2.76Å
242L96.7Very high95Very high30 Ų3074.7 Ų74.716%0.15737%0.373CS..THydrogen-bonded Turntrans-71-13.1-179.1-57.2-173.6000113.1L223 T240 P245 I284L223-L242 HydrophobicContact CD2-CB 3.75Å; L223-L242 HydrophobicContact CG-CB 4.35Å; T240-L242 HydrophobicContact CG2-CD2 4.31Å; T240-L242 PolarHBondContact O-N 2.87Å; T240-L242 VanDerWaalsContact O-N 3.1Å; L242-P245 WeakPolarHBondContact O-CD 3.32Å; L242-I284 HydrophobicContact CD1-CG2 4.17Å
243S96.8Very high94.5Very high0 Ų080.7 Ų80.70%040%0.395CS..Hα-helixtrans-78.8-23.517975.20000112.4N232 D241 I246 L247N232-S243 PolarHBondContact ND2-OG 3.01Å; N232-S243 WeakPolarHBondContact OD1-CB 3.46Å; D241-S243 PolarHBondContact O-N 3.46Å; D241-S243 WeakPolarHBondContact OD1-CA 3Å; D241-S243 VanDerWaalsContact OD1-CB 3.29Å; D241-S243 WeakPolarHBondContact OD1-CB 3.36Å; D241-S243 PolarHBondContact OD1-N 3.03Å; D241-S243 PolarHBondContact OD1-OG 3.29Å; S243-I246 WeakPolarHBondContact O-CB 3.41Å; S243-I246 PolarHBondContact O-N 3.15Å; S243-L247 WeakPolarHBondContact O-CG 3.42Å; S243-L247 PolarHBondContact O-N 3.18Å
244V96.9Very high93.8Very high80 Ų8085.3 Ų85.349%0.48543%0.434SS..Hα-helixtrans-55-50.2-175.4170.10000112.9D241 I246 L247 K248D241-V244 HydrophobicContact CB-CG2 3.91Å; D241-V244 PolarHBondContact O-N 2.76Å; V244-I246 VanDerWaalsContact C-N 3.3Å; V244-I246 PolarHBondContact O-N 3.5Å; V244-L247 PolarHBondContact O-N 3.3Å; V244-K248 WeakPolarHBondContact O-CB 3.26Å; V244-K248 PolarHBondContact O-N 3.36Å
245P95.4Very high93Very high87 Ų8785.1 Ų85.157%0.56544%0.443SS*.Hα-helixtrans-61.7-37.3177-22.434.7000112.9L242 K248 W249L242-P245 WeakPolarHBondContact O-CD 3.32Å; P245-K248 PolarHBondContact O-N 3.14Å; P245-W249 WeakPolarHBondContact O-CB 3.35Å; P245-W249 PolarHBondContact O-N 3.09Å
246I95Very high92.5Very high45 Ų4583.6 Ų83.623%0.23145%0.447CS..Hα-helixtrans-68.1-45-179.2-55.1172.8000110.5L223 F230 S243 V244 K248 W249 A250 I284L223-I246 HydrophobicContact CD2-CD1 4.34Å; F230-I246 HydrophobicContact CE1-CD1 4.12Å; F230-I246 HydrophobicContact CE1-CG2 4.1Å; F230-I246 HydrophobicContact CE2-CG2 4.43Å; F230-I246 HydrophobicContact CZ-CB 4.38Å; F230-I246 HydrophobicContact CZ-CG2 3.62Å; S243-I246 WeakPolarHBondContact O-CB 3.41Å; S243-I246 PolarHBondContact O-N 3.15Å; V244-I246 VanDerWaalsContact C-N 3.3Å; V244-I246 PolarHBondContact O-N 3.5Å; I246-K248 VanDerWaalsContact C-N 3.34Å; I246-K248 PolarHBondContact O-N 2.83Å; I246-W249 PolarHBondContact O-N 3.39Å; I246-A250 WeakPolarHBondContact O-CB 3.02Å; I246-A250 PolarHBondContact O-N 3.01Å; I246-I284 HydrophobicContact CD1-CD1 4.04Å
247L95.3Very high92.2Very high41 Ų4179 Ų7922%0.21543%0.426CS..Hα-helixtrans-62.2-43.4176.3-67.7171000111.1F230 S243 V244 W249 A250 Q251 F260 T262F230-L247 HydrophobicContact CD2-CD2 3.94Å; F230-L247 HydrophobicContact CD2-CG 4.48Å; F230-L247 HydrophobicContact CE2-CD2 3.81Å; F230-L247 HydrophobicContact CE2-CG 4.46Å; S243-L247 WeakPolarHBondContact O-CG 3.42Å; S243-L247 PolarHBondContact O-N 3.18Å; V244-L247 PolarHBondContact O-N 3.3Å; L247-W249 PolarHBondContact O-N 3.43Å; L247-A250 PolarHBondContact O-N 3.29Å; L247-Q251 WeakPolarHBondContact O-CG 3.43Å; L247-Q251 PolarHBondContact O-N 3.45Å; L247-F260 HydrophobicContact CD2-CB 3.71Å; L247-F260 HydrophobicContact CD2-CD2 4.43Å; L247-F260 HydrophobicContact CD2-CG 4.49Å; L247-T262 HydrophobicContact CD1-CG2 3.59Å
248K94.7Very high91.9Very high138 Ų13869.6 Ų69.660%0.639%0.39SS*.Hα-helixtrans-62.4-43.6177-147.7177.1-170.1179.50111.1V244 P245 I246 Q251 H252V244-K248 WeakPolarHBondContact O-CB 3.26Å; V244-K248 PolarHBondContact O-N 3.36Å; P245-K248 PolarHBondContact O-N 3.14Å; I246-K248 VanDerWaalsContact C-N 3.34Å; I246-K248 PolarHBondContact O-N 2.83Å; K248-Q251 PolarHBondContact O-N 3.32Å; K248-H252 PolarHBondContact O-ND1 2.97Å
249W94.5Very high91.8Very high118 Ų11871.7 Ų71.745%0.44740%0.402SS..Hα-helixtrans-60.8-44.6173166.990.1000112.3P245 I246 L247 Q251 H252 R253 V257P245-W249 WeakPolarHBondContact O-CB 3.35Å; P245-W249 PolarHBondContact O-N 3.09Å; I246-W249 PolarHBondContact O-N 3.39Å; L247-W249 PolarHBondContact O-N 3.43Å; W249-Q251 VanDerWaalsContact C-N 3.32Å; W249-Q251 PolarHBondContact O-N 3.02Å; W249-H252 PolarHBondContact O-N 3.12Å; W249-R253 HydrophobicContact CD2-CG 4.41Å; W249-R253 HydrophobicContact CZ2-CG 4.24Å; W249-R253 WeakPolarHBondContact O-CG 3.41Å; W249-V257 HydrophobicContact CH2-CG1 4.31Å; W249-V257 HydrophobicContact CH2-CG2 4.24Å; W249-V257 HydrophobicContact CZ3-CG2 3.92Å
250A92.8Very high91.8Very high10 Ų1073 Ų738%0.08341%0.405CS..Hα-helixtrans-63.5-35.6-178.600000112.9I246 L247 H252 R253 V257 F260I246-A250 WeakPolarHBondContact O-CB 3.02Å; I246-A250 PolarHBondContact O-N 3.01Å; L247-A250 PolarHBondContact O-N 3.29Å; A250-H252 VanDerWaalsContact C-N 3.27Å; A250-H252 PolarHBondContact O-N 2.99Å; A250-R253 WeakPolarHBondContact O-CB 3.2Å; A250-R253 PolarHBondContact O-N 3.03Å; A250-R253 VanDerWaalsContact O-N 3.1Å; A250-V257 HydrophobicContact CB-CG2 3.89Å; A250-F260 HydrophobicContact CB-CD2 3.7Å; A250-F260 HydrophobicContact CB-CE2 3.56Å
251Q90.7Very high91.9Very high149 Ų14971.3 Ų71.370%0.69640%0.397SS*.Hα-helixtrans-59.7-36.7175.7-73.6169.7-11.100112.5L247 K248 W249 R253L247-Q251 WeakPolarHBondContact O-CG 3.43Å; L247-Q251 PolarHBondContact O-N 3.45Å; K248-Q251 PolarHBondContact O-N 3.32Å; W249-Q251 VanDerWaalsContact C-N 3.32Å; W249-Q251 PolarHBondContact O-N 3.02Å; Q251-R253 PolarHBondContact O-N 3Å
252H90.9Very high91.9Very high157 Ų15772.7 Ų72.773%0.72741%0.408SS*.THydrogen-bonded Turntrans-74.9-7178.9-66.483.8000113.5K248 W249 A250 A254K248-H252 PolarHBondContact O-ND1 2.97Å; W249-H252 PolarHBondContact O-N 3.12Å; A250-H252 VanDerWaalsContact C-N 3.27Å; A250-H252 PolarHBondContact O-N 2.99Å; H252-A254 VanDerWaalsContact C-N 3.32Å; H252-A254 PolarHBondContact O-N 2.83Å
253R87.7Confident92Very high128 Ų12872.9 Ų72.948%0.48341%0.413SS..THydrogen-bonded Turntrans-92.315.4-176.3-68-70.9-172170.8-0.1113.6W249 A250 Q251 G255 S256 V257W249-R253 HydrophobicContact CD2-CG 4.41Å; W249-R253 HydrophobicContact CZ2-CG 4.24Å; W249-R253 WeakPolarHBondContact O-CG 3.41Å; A250-R253 WeakPolarHBondContact O-CB 3.2Å; A250-R253 PolarHBondContact O-N 3.03Å; A250-R253 VanDerWaalsContact O-N 3.1Å; Q251-R253 PolarHBondContact O-N 3Å; R253-G255 PolarHBondContact O-N 2.79Å; R253-G255 VanDerWaalsContact O-N 3.08Å; R253-S256 WeakPolarHBondContact CB-OG 3.42Å; R253-S256 WeakPolarHBondContact O-CB 3.44Å; R253-S256 PolarHBondContact O-N 2.73Å; R253-S256 PolarHBondContact O-OG 3.22Å; R253-V257 HydrophobicContact CB-CG2 3.8Å; R253-V257 HydrophobicContact CG-CG2 4.16Å
254A81.6Confident92.1Very high101 Ų10178.1 Ų78.184%0.83543%0.433SS*.THydrogen-bonded Turntrans47.740.3172.800000114.5H252 S256H252-A254 VanDerWaalsContact C-N 3.32Å; H252-A254 PolarHBondContact O-N 2.83Å; A254-S256 VanDerWaalsContact C-N 3.28Å; A254-S256 PolarHBondContact O-N 2.88Å
255G80.7Confident92.1Very high41 Ų4174.3 Ų74.342%0.42341%0.41SS..THydrogen-bonded Turntrans7410.2179.100000115.6R3 R253 V257R3-G255 PolarHBondContact NH1-O 3.24Å; R253-G255 PolarHBondContact O-N 2.79Å; R253-G255 VanDerWaalsContact O-N 3.08Å; G255-V257 PolarHBondContact O-N 2.72Å
256S85.4Confident92.2Very high61 Ų6171 Ų7143%0.42739%0.387SS..SBendtrans-68.7-25.7171.261.70000112.5R253 A254R253-S256 WeakPolarHBondContact CB-OG 3.42Å; R253-S256 WeakPolarHBondContact O-CB 3.44Å; R253-S256 PolarHBondContact O-N 2.73Å; R253-S256 PolarHBondContact O-OG 3.22Å; A254-S256 VanDerWaalsContact C-N 3.28Å; A254-S256 PolarHBondContact O-N 2.88Å
257V88.9Confident92.4Very high13 Ų1374 Ų748%0.07940%0.403CS..SBendtrans-124.4160.2170.1-64.50000110.3M1 L4 W249 A250 R253 G255 F260M1-V257 HydrophobicContact SD-CB 4.23Å; M1-V257 HydrophobicContact SD-CG1 3.93Å; L4-V257 HydrophobicContact CD1-CG1 3.54Å; L4-V257 HydrophobicContact CG-CG1 4.48Å; W249-V257 HydrophobicContact CH2-CG1 4.31Å; W249-V257 HydrophobicContact CH2-CG2 4.24Å; W249-V257 HydrophobicContact CZ3-CG2 3.92Å; A250-V257 HydrophobicContact CB-CG2 3.89Å; R253-V257 HydrophobicContact CB-CG2 3.8Å; R253-V257 HydrophobicContact CG-CG2 4.16Å; G255-V257 PolarHBondContact O-N 2.72Å; V257-F260 HydrophobicContact CB-CE2 4.22Å; V257-F260 HydrophobicContact CB-CZ 4.16Å; V257-F260 HydrophobicContact CG2-CE2 4.18Å
258G86.9Confident92.5Very high18 Ų1872.6 Ų72.619%0.18640%0.397CS..  trans79.8-164.3-173.400000113.9
259P90.7Very high92.7Very high132 Ų13267.4 Ų67.486%0.85738%0.377SS*.  cis-60.9153.9-1.328.3-35.6000112.3
260F94.9Very high92.9Very high43 Ų4361.8 Ų61.819%0.18936%0.355CS..  trans-121.5149.5177-62.1-53.8000110.3M1 Y225 G228 F230 L247 A250 V257M1-F260 HydrophobicContact CG-CE1 4.02Å; M1-F260 HydrophobicContact CG-CZ 4.08Å; M1-F260 HydrophobicContact SD-CZ 4.01Å; Y225-F260 HydrophobicContact CE2-CD1 4Å; Y225-F260 AromaticContact CE2-CE1 3.89Å; Y225-F260 HydrophobicContact CE2-CE1 3.89Å; G228-F260 VanDerWaalsContact O-CA 3.29Å; G228-F260 WeakPolarHBondContact O-CA 3.22Å; F230-F260 HydrophobicContact CD2-CB 4.24Å; F230-F260 HydrophobicContact CE2-CB 3.76Å; F230-F260 HydrophobicContact CE2-CD1 4.02Å; F230-F260 HydrophobicContact CE2-CD2 4.06Å; F230-F260 AromaticContact CE2-CG 3.7Å; F230-F260 HydrophobicContact CE2-CG 3.7Å; F230-F260 HydrophobicContact CZ-CD1 4.5Å; F230-F260 HydrophobicContact CZ-CG 4.43Å; L247-F260 HydrophobicContact CD2-CB 3.71Å; L247-F260 HydrophobicContact CD2-CD2 4.43Å; L247-F260 HydrophobicContact CD2-CG 4.49Å; A250-F260 HydrophobicContact CB-CD2 3.7Å; A250-F260 HydrophobicContact CB-CE2 3.56Å; V257-F260 HydrophobicContact CB-CE2 4.22Å; V257-F260 HydrophobicContact CB-CZ 4.16Å; V257-F260 HydrophobicContact CG2-CE2 4.18Å
261S96.4Very high93.1Very high60 Ų6062 Ų6242%0.4236%0.355SS..EExtended strand (participates in β ladder)trans-126.1170.5170.958.70000110.7G228 V229 F230G228-S261 PolarHBondContact O-N 3.32Å; V229-S261 WeakPolarHBondContact CA-O 3.48Å; V229-S261 WeakPolarHBondContact CG2-OG 3.41Å; F230-S261 PolarHBondContact N-O 2.77Å
262T97.9Very high93.5Very high75 Ų7557.8 Ų57.846%0.4634%0.337SS..EExtended strand (participates in β ladder)trans-126.6153.2176.658.60000110.5F230 L247F230-T262 HydrophobicContact CB-CG2 4.31Å; F230-T262 CarbonylContact O-C 3.55Å; F230-T262 VanDerWaalsContact O-CA 3.23Å; F230-T262 WeakPolarHBondContact O-CA 3.19Å; L247-T262 HydrophobicContact CD1-CG2 3.59Å
263A98.1Very high93.8Very high33 Ų3350.3 Ų50.327%0.27330%0.303SS..EExtended strand (participates in β ladder)trans-147.316117300000109.9V229 F230 Y231 N232V229-A263 HydrophobicContact CG1-CB 4.11Å; F230-A263 PolarHBondContact O-N 3.39Å; Y231-A263 CarbonylContact C-O 3.5Å; Y231-A263 WeakPolarHBondContact CA-O 3.46Å; Y231-A263 HydrophobicContact CD1-CB 3.69Å; Y231-A263 HydrophobicContact CE1-CB 3.86Å; N232-A263 PolarHBondContact N-O 2.99Å
264R98.2Very high94.3Very high111 Ų11147.6 Ų47.642%0.41930%0.298SS..EExtended strand (participates in β ladder)trans-82.7129.2174.8-67.7175.160.775.1-2.4109.3E266 D267 T268R264-E266 VanDerWaalsContact C-N 3.32Å; R264-E266 HydrophobicContact CB-CG 4.45Å; R264-E266 IonicContact CZ-OE1 3.08Å; R264-E266 IonicContact NE-OE1 3.73Å; R264-E266 IonicContact NH1-OE1 3.58Å; R264-E266 IonicContact NH2-OE1 2.59Å; R264-E266 PolarHBondContact NH2-OE1 3.48Å; R264-E266 PolarHBondContact O-N 3.22Å; R264-D267 HydrophobicContact CB-CB 4.17Å; R264-D267 VanDerWaalsContact CB-OD2 3.29Å; R264-D267 WeakPolarHBondContact CB-OD2 3.34Å; R264-D267 VanDerWaalsContact CD-OD2 3.22Å; R264-D267 WeakPolarHBondContact CD-OD2 3.48Å; R264-D267 IonicContact NE-OD2 2.99Å; R264-D267 PolarHBondContact NE-OD2 2.68Å; R264-D267 PolarHBondContact O-N 3.22Å; R264-T268 PolarHBondContact O-OG1 2.76Å
265M98.3Very high95.1Very high0 Ų042.8 Ų42.80%026%0.258CS..G310 helixtrans-64.9-38.4-176.3-169.8-174-6600111.6L185 T186 R189 F224 Y231 N232 D233 D267 T268L185-M265 HydrophobicContact CB-CG 3.47Å; L185-M265 VanDerWaalsContact CB-CG 3.47Å; L185-M265 HydrophobicContact CB-SD 4.4Å; L185-M265 HydrophobicContact CD1-CG 4.45Å; T186-M265 HydrophobicContact CG2-CB 4.07Å; T186-M265 HydrophobicContact CG2-CG 3.73Å; T186-M265 HydrophobicContact CG2-SD 3.95Å; R189-M265 HydrophobicContact CB-SD 3.85Å; R189-M265 HydrophobicContact CG-SD 4.15Å; F224-M265 HydrophobicContact CD2-CE 3.62Å; F224-M265 HydrophobicContact CD2-SD 4Å; F224-M265 HydrophobicContact CE2-CE 4.2Å; F224-M265 HydrophobicContact CE2-SD 4.17Å; F224-M265 HydrophobicContact CG-CE 4.49Å; Y231-M265 WeakPolarHBondContact O-CE 3.29Å; N232-M265 WeakPolarHBondContact O-CB 3.36Å; N232-M265 PolarHBondContact O-N 3.47Å; D233-M265 HydrophobicContact CB-CB 4.43Å; D233-M265 HydrophobicContact CB-CE 3.81Å; D233-M265 HydrophobicContact CB-SD 3.9Å; M265-D267 PolarHBondContact O-N 3.45Å; M265-T268 PolarHBondContact O-N 3.02Å
266E97.8Very high95.9Very high17 Ų1741.7 Ų41.78%0.07924%0.241CC..G310 helixtrans-71.5-15.6-17960-93.8-126.400114.6K184 T186 R235 R264K184-E266 VanDerWaalsContact CD-O 3.3Å; K184-E266 WeakPolarHBondContact CD-O 3.42Å; K184-E266 VanDerWaalsContact CE-O 3.29Å; K184-E266 WeakPolarHBondContact CE-O 3.34Å; K184-E266 PolarHBondContact NZ-O 3.06Å; T186-E266 HydrophobicContact CG2-CB 3.97Å; R235-E266 WeakPolarHBondContact CA-OE1 3.4Å; R235-E266 HydrophobicContact CG-CB 3.67Å; R235-E266 HydrophobicContact CG-CG 4.1Å; R235-E266 PolarHBondContact N-OE1 2.91Å; R235-E266 VanDerWaalsContact N-OE1 3.08Å; R264-E266 VanDerWaalsContact C-N 3.32Å; R264-E266 HydrophobicContact CB-CG 4.45Å; R264-E266 IonicContact CZ-OE1 3.08Å; R264-E266 IonicContact NE-OE1 3.73Å; R264-E266 IonicContact NH1-OE1 3.58Å; R264-E266 IonicContact NH2-OE1 2.59Å; R264-E266 PolarHBondContact NH2-OE1 3.48Å; R264-E266 PolarHBondContact O-N 3.22Å
267D98Very high96.4Very high107 Ų10740.5 Ų40.557%0.57223%0.23SC*.G310 helixtrans-104.11.3179.3-59.2-38.9000111.8R264 M265R264-D267 HydrophobicContact CB-CB 4.17Å; R264-D267 VanDerWaalsContact CB-OD2 3.29Å; R264-D267 WeakPolarHBondContact CB-OD2 3.34Å; R264-D267 VanDerWaalsContact CD-OD2 3.22Å; R264-D267 WeakPolarHBondContact CD-OD2 3.48Å; R264-D267 IonicContact NE-OD2 2.99Å; R264-D267 PolarHBondContact NE-OD2 2.68Å; R264-D267 PolarHBondContact O-N 3.22Å; M265-D267 PolarHBondContact O-N 3.45Å
268T98.4Very high96.8Very high13 Ų1340.7 Ų40.78%0.0824%0.235CC..  trans-116.3131.6-175.5-53.90000111K184 L185 Y231 R264 M265 D272 L273K184-T268 WeakPolarHBondContact CA-O 3.28Å; L185-T268 HydrophobicContact CD1-CG2 3.79Å; L185-T268 HydrophobicContact CG-CG2 4.13Å; L185-T268 PolarHBondContact N-O 3.45Å; Y231-T268 HydrophobicContact CD1-CG2 3.75Å; Y231-T268 HydrophobicContact CE1-CG2 3.51Å; R264-T268 PolarHBondContact O-OG1 2.76Å; M265-T268 PolarHBondContact O-N 3.02Å; T268-D272 HydrophobicContact CG2-CB 4.03Å; T268-L273 HydrophobicContact CG2-CD2 4.18Å
269T98.5Very high97.2Very high29 Ų2940.5 Ų40.518%0.17823%0.229CC..BIsolated β-bridgetrans-101166.8171.364.60000111.9S182 Q183 K184 D271 D272S182-T269 WeakPolarHBondContact O-CG2 3.35Å; Q183-T269 CarbonylContact O-C 3.58Å; Q183-T269 WeakPolarHBondContact O-CA 3.37Å; Q183-T269 WeakPolarHBondContact O-CB 3.48Å; K184-T269 HydrophobicContact CG-CG2 4.3Å; T269-D271 PolarHBondContact O-N 3.49Å; T269-D271 WeakPolarHBondContact OG1-CB 3.22Å; T269-D272 PolarHBondContact N-OD2 2.65Å; T269-D272 PolarHBondContact O-N 2.99Å; T269-D272 PolarHBondContact OG1-OD2 2.97Å
270F98.5Very high97.3Very high0 Ų036.6 Ų36.60%020%0.203CC..G310 helixtrans-61.1-30.2172-80-85.1000112.4V19 L148 V150 V179 S181 Q183 L185 L188 D272 L273V19-F270 WeakPolarHBondContact CB-O 3.41Å; V19-F270 WeakPolarHBondContact CG1-O 3.3Å; V19-F270 WeakPolarHBondContact CG2-O 3.36Å; L148-F270 HydrophobicContact CD1-CB 4.19Å; L148-F270 HydrophobicContact CD2-CD1 4.09Å; V150-F270 HydrophobicContact CG2-CE1 4.46Å; V179-F270 HydrophobicContact CB-CD2 4.28Å; V179-F270 HydrophobicContact CB-CE2 3.99Å; V179-F270 HydrophobicContact CB-CZ 4.24Å; V179-F270 HydrophobicContact CG1-CE2 4.25Å; V179-F270 HydrophobicContact CG1-CZ 4.27Å; V179-F270 HydrophobicContact CG2-CD1 3.99Å; V179-F270 HydrophobicContact CG2-CD2 4.07Å; V179-F270 HydrophobicContact CG2-CE1 3.8Å; V179-F270 HydrophobicContact CG2-CE2 3.91Å; V179-F270 HydrophobicContact CG2-CG 4.13Å; V179-F270 HydrophobicContact CG2-CZ 3.79Å; S181-F270 CarbonylContact O-C 3.51Å; S181-F270 PolarHBondContact O-N 2.83Å; Q183-F270 HydrophobicContact CB-CD2 4.3Å; Q183-F270 WeakPolarHBondContact O-CD2 3.45Å; Q183-F270 PolarHBondContact O-N 2.96Å; L185-F270 HydrophobicContact CD2-CD1 4.12Å; L185-F270 HydrophobicContact CD2-CD2 4.14Å; L185-F270 HydrophobicContact CD2-CE1 3.92Å; L185-F270 HydrophobicContact CD2-CE2 3.93Å; L185-F270 HydrophobicContact CD2-CG 4.21Å; L185-F270 HydrophobicContact CD2-CZ 3.79Å; L188-F270 HydrophobicContact CB-CE2 4.06Å; L188-F270 HydrophobicContact CB-CZ 3.81Å; L188-F270 HydrophobicContact CD2-CE1 4.29Å; L188-F270 HydrophobicContact CD2-CZ 3.63Å; L188-F270 HydrophobicContact CG-CZ 4.3Å; F270-D272 PolarHBondContact O-N 2.94Å; F270-L273 HydrophobicContact CD1-CD1 3.75Å; F270-L273 HydrophobicContact CE1-CD1 4.22Å; F270-L273 WeakPolarHBondContact O-CB 3.46Å; F270-L273 PolarHBondContact O-N 3.45Å; F270-L273 VanDerWaalsContact O-N 3.16Å
271D97.6Very high97.4Very high14 Ų1434.8 Ų34.88%0.07520%0.196CC..G310 helixtrans-58.2-32.9176.4-151.451.3000112.3R20 R23 S181 T269 L273R20-D271 WeakPolarHBondContact CA-OD1 3.42Å; R20-D271 VanDerWaalsContact CB-O 3.29Å; R20-D271 WeakPolarHBondContact CB-O 3.3Å; R20-D271 WeakPolarHBondContact CB-OD2 3.46Å; R20-D271 WeakPolarHBondContact CG-OD2 3.3Å; R20-D271 IonicContact CZ-OD2 3.67Å; R20-D271 PolarHBondContact N-O 3.04Å; R20-D271 IonicContact NE-OD2 2.73Å; R20-D271 PolarHBondContact NE-OD2 3.49Å; R20-D271 IonicContact NH2-OD2 2.83Å; R20-D271 PolarHBondContact NH2-OD2 3.41Å; R23-D271 IonicContact NE-OD1 3.41Å; R23-D271 PolarHBondContact NE-OD1 3.47Å; R23-D271 VanDerWaalsContact NE-OD1 3.11Å; R23-D271 IonicContact NE-OD2 3.48Å; R23-D271 IonicContact NH2-OD2 3.85Å; S181-D271 PolarHBondContact O-N 3.36Å; T269-D271 PolarHBondContact O-N 3.49Å; T269-D271 WeakPolarHBondContact OG1-CB 3.22Å; D271-L273 VanDerWaalsContact C-N 3.28Å; D271-L273 PolarHBondContact O-N 3.48Å
272D98.1Very high97.4Very high61 Ų6133.5 Ų33.533%0.32619%0.185SC..G310 helixtrans-78-9.6-178.4-57.6-56.2000113.6R20 T268 T269 F270R20-D272 IonicContact CZ-OD1 3.57Å; R20-D272 IonicContact NH1-OD1 3.05Å; R20-D272 IonicContact NH2-OD1 3.43Å; R20-D272 PolarHBondContact NH2-OD1 3.26Å; T268-D272 HydrophobicContact CG2-CB 4.03Å; T269-D272 PolarHBondContact N-OD2 2.65Å; T269-D272 PolarHBondContact O-N 2.99Å; T269-D272 PolarHBondContact OG1-OD2 2.97Å; F270-D272 PolarHBondContact O-N 2.94Å
273L98.3Very high97.4Very high0 Ų030 Ų300%016%0.164CC..  trans-80.3145.6-172-59.5-175000113.5V19 L185 F226 Y231 T268 F270 D271 I275V19-L273 HydrophobicContact CG2-CB 4.27Å; V19-L273 PolarHBondContact N-O 3.21Å; V19-L273 VanDerWaalsContact N-O 3.1Å; L185-L273 HydrophobicContact CD1-CD2 4.25Å; L185-L273 HydrophobicContact CD2-CD1 3.94Å; L185-L273 HydrophobicContact CD2-CD2 4.37Å; L185-L273 HydrophobicContact CD2-CG 4.4Å; F226-L273 HydrophobicContact CD2-CD1 4.24Å; F226-L273 HydrophobicContact CD2-CD2 4.44Å; F226-L273 HydrophobicContact CE2-CD1 4.39Å; F226-L273 HydrophobicContact CG-CD1 4.44Å; Y231-L273 HydrophobicContact CE1-CD2 4.09Å; Y231-L273 HydrophobicContact CE2-CD2 3.95Å; Y231-L273 WeakPolarHBondContact OH-CD2 3.38Å; T268-L273 HydrophobicContact CG2-CD2 4.18Å; F270-L273 HydrophobicContact CD1-CD1 3.75Å; F270-L273 HydrophobicContact CE1-CD1 4.22Å; F270-L273 WeakPolarHBondContact O-CB 3.46Å; F270-L273 PolarHBondContact O-N 3.45Å; F270-L273 VanDerWaalsContact O-N 3.16Å; D271-L273 VanDerWaalsContact C-N 3.28Å; D271-L273 PolarHBondContact O-N 3.48Å; L273-I275 HydrophobicContact CB-CG2 3.89Å; L273-I275 HydrophobicContact CD1-CG2 4.17Å
274N97.7Very high97.3Very high71 Ų7129.1 Ų29.138%0.3815%0.154SC..EExtended strand (participates in β ladder)trans-109.3106.1164.6-66.9-69.2000108.6V16 N18 N227V16-N274 HydrophobicContact CG1-CB 3.95Å; N18-N274 WeakPolarHBondContact CB-OD1 3.49Å; N18-N274 PolarHBondContact ND2-OD1 3.07Å; N227-N274 WeakPolarHBondContact CB-O 3.44Å; N227-N274 PolarHBondContact ND2-O 2.96Å
275I97.5Very high97.2Very high0 Ų023.9 Ų23.90%013%0.134CC..EExtended strand (participates in β ladder)trans-122.6165.8-171.957.4171.4000112V16 V17 V19 L148 F226 L273 L277 Y281 V295V16-I275 CarbonylContact C-O 3.58Å; V16-I275 WeakPolarHBondContact CA-O 3.4Å; V17-I275 PolarHBondContact N-O 3.06Å; V17-I275 PolarHBondContact O-N 3.38Å; V19-I275 HydrophobicContact CG2-CD1 3.88Å; V19-I275 HydrophobicContact CG2-CG1 4.03Å; L148-I275 HydrophobicContact CD2-CD1 3.94Å; F226-I275 HydrophobicContact CD1-CG2 4.21Å; L273-I275 HydrophobicContact CB-CG2 3.89Å; L273-I275 HydrophobicContact CD1-CG2 4.17Å; I275-L277 HydrophobicContact CD1-CD2 4.37Å; I275-Y281 WeakPolarHBondContact CA-OH 3.39Å; I275-Y281 HydrophobicContact CB-CE2 4.3Å; I275-Y281 HydrophobicContact CG2-CE2 4.38Å; I275-V295 HydrophobicContact CD1-CB 3.93Å; I275-V295 HydrophobicContact CD1-CG1 3.75Å; I275-V295 HydrophobicContact CD1-CG2 3.89Å
276R97.5Very high96.9Very high17 Ų1725 Ų256%0.06414%0.139CC..  trans-119.4130.3164.5-63.4174.7-175.2-95.38107.2D2 N8 V13 S14 V16 Q279 Y281D2-R276 IonicContact OD2-CZ 3.67Å; D2-R276 IonicContact OD2-NE 3.46Å; D2-R276 IonicContact OD2-NH2 3.89Å; D2-R276 PolarHBondContact OD2-NH2 2.84Å; N8-R276 PolarHBondContact OD1-NH1 3.03Å; V13-R276 HydrophobicContact CG1-CB 3.86Å; V13-R276 HydrophobicContact CG1-CG 4.48Å; S14-R276 WeakPolarHBondContact O-CG 3.39Å; S14-R276 PolarHBondContact O-NH1 3.07Å; V16-R276 HydrophobicContact CG2-CG 3.95Å; V16-R276 VanDerWaalsContact CG2-CZ 3.49Å; R276-Q279 HydrophobicContact CB-CB 3.75Å; R276-Q279 PolarHBondContact O-N 3.38Å; R276-Y281 PolarHBondContact N-OH 2.82Å
277L97.4Very high96.6Very high36 Ų3626.4 Ų26.419%0.18816%0.158CC..THydrogen-bonded Turntrans-65137.7173.2-53.2178000108.9V13 S14 I275 Q279 V295 I298V13-L277 WeakPolarHBondContact CA-O 3.47Å; S14-L277 PolarHBondContact N-O 2.84Å; S14-L277 PolarHBondContact OG-N 2.74Å; I275-L277 HydrophobicContact CD1-CD2 4.37Å; L277-Q279 PolarHBondContact O-N 2.82Å; L277-V295 CarbonylContact C-O 3.52Å; L277-V295 VanDerWaalsContact CA-O 3.24Å; L277-V295 WeakPolarHBondContact CA-O 3.31Å; L277-V295 HydrophobicContact CD2-CB 4.34Å; L277-V295 HydrophobicContact CD2-CG1 3.75Å; L277-I298 HydrophobicContact CD1-CG2 3.95Å; L277-I298 HydrophobicContact CD2-CB 4.3Å; L277-I298 HydrophobicContact CD2-CG2 3.95Å; L277-I298 HydrophobicContact CG-CG2 4.49Å
278G95.5Very high96.2Very high18 Ų1827.8 Ų27.819%0.18617%0.166CC..THydrogen-bonded Turntrans75.9-4.5-178.900000115.6P280 V295G278-P280 WeakPolarHBondContact O-CD 3.25Å; G278-V295 PolarHBondContact N-O 3.17Å
279Q95.3Very high95.9Very high14 Ų1427.4 Ų27.47%0.06516%0.163CC..  trans-80.2128.3175.2174.759.54600110.6V13 R276 L277 Y281V13-Q279 HydrophobicContact CG1-CB 3.91Å; R276-Q279 HydrophobicContact CB-CB 3.75Å; R276-Q279 PolarHBondContact O-N 3.38Å; L277-Q279 PolarHBondContact O-N 2.82Å; Q279-Y281 HydrophobicContact CB-CE2 4.14Å; Q279-Y281 HydrophobicContact CG-CE1 4Å; Q279-Y281 HydrophobicContact CG-CE2 4.23Å; Q279-Y281 VanDerWaalsContact O-CD2 3.28Å; Q279-Y281 WeakPolarHBondContact O-CD2 3.37Å; Q279-Y281 PolarHBondContact O-N 2.74Å
280P94.3Very high95.7Very high49 Ų4931.5 Ų31.532%0.31818%0.181SC..EExtended strand (participates in β ladder)trans-67.9125.4168.9-20.733.5000111.9G278 L292 V294G278-P280 WeakPolarHBondContact O-CD 3.25Å; P280-L292 HydrophobicContact CB-CD2 4.43Å; P280-V294 HydrophobicContact CB-CG2 4.35Å; P280-V294 HydrophobicContact CG-CG2 4.37Å
281Y96.4Very high95.4Very high6 Ų631.5 Ų31.52%0.02418%0.181CC..EExtended strand (participates in β ladder)trans-110.2180168.7-65.5-63.2000109.4Y225 F226 N227 I275 R276 Q279 L292 V293Y225-Y281 VanDerWaalsContact O-CB 3.26Å; Y225-Y281 WeakPolarHBondContact O-CB 3.33Å; Y225-Y281 WeakPolarHBondContact O-CD1 3.26Å; F226-Y281 HydrophobicContact CB-CD1 4.36Å; F226-Y281 AromaticContact CD1-CD1 3.87Å; F226-Y281 HydrophobicContact CD1-CD1 3.87Å; F226-Y281 AromaticContact CD1-CD2 3.41Å; F226-Y281 HydrophobicContact CD1-CD2 3.41Å; F226-Y281 VanDerWaalsContact CD1-CD2 3.41Å; F226-Y281 HydrophobicContact CD1-CE1 4.36Å; F226-Y281 AromaticContact CD1-CE2 3.93Å; F226-Y281 HydrophobicContact CD1-CE2 3.93Å; F226-Y281 AromaticContact CD1-CG 3.35Å; F226-Y281 HydrophobicContact CD1-CG 3.35Å; F226-Y281 AromaticContact CE1-CD2 3.67Å; F226-Y281 HydrophobicContact CE1-CD2 3.67Å; F226-Y281 HydrophobicContact CE1-CE2 4.45Å; F226-Y281 AromaticContact CE1-CG 3.78Å; F226-Y281 HydrophobicContact CE1-CG 3.78Å; F226-Y281 HydrophobicContact CG-CD1 4.49Å; F226-Y281 HydrophobicContact CG-CG 4.32Å; N227-Y281 HydrophobicContact CB-CE1 4.14Å; I275-Y281 WeakPolarHBondContact CA-OH 3.39Å; I275-Y281 HydrophobicContact CB-CE2 4.3Å; I275-Y281 HydrophobicContact CG2-CE2 4.38Å; R276-Y281 PolarHBondContact N-OH 2.82Å; Q279-Y281 HydrophobicContact CB-CE2 4.14Å; Q279-Y281 HydrophobicContact CG-CE1 4Å; Q279-Y281 HydrophobicContact CG-CE2 4.23Å; Q279-Y281 VanDerWaalsContact O-CD2 3.28Å; Q279-Y281 WeakPolarHBondContact O-CD2 3.37Å; Q279-Y281 PolarHBondContact O-N 2.74Å; Y281-L292 WeakPolarHBondContact O-CA 3.08Å; Y281-V293 WeakPolarHBondContact CA-O 3.12Å; Y281-V293 VanDerWaalsContact CB-O 3.32Å; Y281-V293 WeakPolarHBondContact CB-O 3.37Å; Y281-V293 PolarHBondContact N-O 3.5Å; Y281-V293 PolarHBondContact O-N 3.05Å
282V95.9Very high95.3Very high33 Ų3334 Ų3420%0.219%0.194CC..EExtended strand (participates in β ladder)trans-130.2137.6-174.2-172.70000110.8F224 Y225 I284 E290 H291 L292F224-V282 CarbonylContact C-O 3.6Å; F224-V282 WeakPolarHBondContact CA-O 3.29Å; Y225-V282 PolarHBondContact N-O 3.12Å; Y225-V282 PolarHBondContact O-N 3.18Å; V282-I284 HydrophobicContact CG1-CD1 4.14Å; V282-I284 HydrophobicContact CG1-CG1 3.63Å; V282-E290 HydrophobicContact CG1-CB 4.47Å; V282-H291 CarbonylContact C-O 3.57Å; V282-H291 WeakPolarHBondContact CA-O 3.46Å; V282-L292 HydrophobicContact CG2-CD2 4.47Å
283Y97.6Very high95.2Very high2 Ų231.1 Ų31.11%0.00818%0.178CC..EExtended strand (participates in β ladder)trans-114.9128.4164169.4-119.7000108.5R189 I192 L223 F224 H285 E290 H291R189-Y283 HydrophobicContact CG-CE2 4.02Å; I192-Y283 HydrophobicContact CB-CE1 4.48Å; I192-Y283 HydrophobicContact CD1-CD1 3.97Å; I192-Y283 HydrophobicContact CD1-CE1 3.96Å; I192-Y283 HydrophobicContact CD1-CG 4.34Å; I192-Y283 HydrophobicContact CG2-CD1 4.47Å; I192-Y283 HydrophobicContact CG2-CE1 3.98Å; L223-Y283 CarbonylContact O-C 3.59Å; L223-Y283 WeakPolarHBondContact O-CA 3.42Å; L223-Y283 VanDerWaalsContact O-CD2 3.3Å; L223-Y283 WeakPolarHBondContact O-CD2 3.38Å; F224-Y283 AromaticContact CD1-CD2 3.79Å; F224-Y283 HydrophobicContact CD1-CD2 3.79Å; F224-Y283 HydrophobicContact CD1-CG 4.08Å; F224-Y283 HydrophobicContact CD2-CD2 4.3Å; F224-Y283 AromaticContact CE1-CD2 3.55Å; F224-Y283 HydrophobicContact CE1-CD2 3.55Å; F224-Y283 HydrophobicContact CE1-CE2 4.47Å; F224-Y283 AromaticContact CE1-CG 3.69Å; F224-Y283 HydrophobicContact CE1-CG 3.69Å; F224-Y283 HydrophobicContact CE2-CD2 4.08Å; F224-Y283 HydrophobicContact CE2-CE2 4.37Å; F224-Y283 HydrophobicContact CG-CD2 4.15Å; F224-Y283 AromaticContact CZ-CD2 3.69Å; F224-Y283 HydrophobicContact CZ-CD2 3.69Å; F224-Y283 HydrophobicContact CZ-CE2 4.18Å; F224-Y283 HydrophobicContact CZ-CG 4.14Å; Y283-H285 HydrophobicContact CE1-CB 4.07Å; Y283-H285 AromaticContact CE1-CD2 3.41Å; Y283-H285 VanDerWaalsContact CE1-CD2 3.41Å; Y283-H285 WeakPolarHBondContact CE1-CD2 3.21Å; Y283-H285 AromaticContact CE1-CG 3.78Å; Y283-H285 HydrophobicContact CE2-CB 4.26Å; Y283-H285 AromaticContact CZ-CD2 3.95Å; Y283-H285 AromaticContact CZ-CG 3.85Å; Y283-H285 WeakPolarHBondContact OH-CB 3.37Å; Y283-E290 CarbonylContact O-C 3.48Å; Y283-E290 WeakPolarHBondContact O-CA 3.48Å; Y283-H291 HydrophobicContact CD1-CB 4.11Å; Y283-H291 AromaticContact CD1-CD2 3.81Å; Y283-H291 PolarHBondContact N-O 3.33Å; Y283-H291 PolarHBondContact O-N 2.92Å
284I96.8Very high95.1Very high14 Ų1432.7 Ų32.77%0.07219%0.188CC..EExtended strand (participates in β ladder)trans-122.2130.8178.9-49.5-175.6000109.1S222 L223 L242 I246 V282 C289 E290S222-I284 CarbonylContact C-O 3.53Å; S222-I284 VanDerWaalsContact CA-O 3.23Å; S222-I284 WeakPolarHBondContact CA-O 3.39Å; S222-I284 VanDerWaalsContact CB-O 3.3Å; S222-I284 WeakPolarHBondContact CB-O 3.32Å; L223-I284 HydrophobicContact CD1-CB 4.1Å; L223-I284 HydrophobicContact CD1-CD1 4.06Å; L223-I284 HydrophobicContact CD1-CG1 3.89Å; L223-I284 HydrophobicContact CG-CB 4.11Å; L223-I284 HydrophobicContact CG-CG1 4.42Å; L223-I284 PolarHBondContact N-O 2.95Å; L223-I284 PolarHBondContact O-N 2.99Å; L242-I284 HydrophobicContact CD1-CG2 4.17Å; I246-I284 HydrophobicContact CD1-CD1 4.04Å; V282-I284 HydrophobicContact CG1-CD1 4.14Å; V282-I284 HydrophobicContact CG1-CG1 3.63Å; I284-C289 WeakPolarHBondContact CA-O 3.28Å; I284-E290 HydrophobicContact CD1-CG 4.29Å; I284-E290 HydrophobicContact CG1-CG 4.13Å
285H95.7Very high95.1Very high1 Ų129.3 Ų29.31%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-147.6173.7174.476.6109.3000110.7C194 D197 Y283 G287 C289 H291C194-H285 WeakPolarHBondContact CB-CE1 3.25Å; C194-H285 WeakPolarHBondContact CB-NE2 3.2Å; C194-H285 VanDerWaalsContact SG-CE1 3.54Å; C194-H285 PolarHBondContact SG-NE2 2.84Å; C194-H285 VanDerWaalsContact SG-NE2 3.43Å; D197-H285 IonicContact OD1-CE1 3.84Å; D197-H285 PolarHBondContact OD1-CE1 3Å; D197-H285 IonicContact OD1-ND1 3.01Å; D197-H285 PolarHBondContact OD1-ND1 3.21Å; D197-H285 IonicContact OD2-CE1 3.53Å; D197-H285 IonicContact OD2-ND1 3.79Å; Y283-H285 HydrophobicContact CE1-CB 4.07Å; Y283-H285 AromaticContact CE1-CD2 3.41Å; Y283-H285 VanDerWaalsContact CE1-CD2 3.41Å; Y283-H285 WeakPolarHBondContact CE1-CD2 3.21Å; Y283-H285 AromaticContact CE1-CG 3.78Å; Y283-H285 HydrophobicContact CE2-CB 4.26Å; Y283-H285 AromaticContact CZ-CD2 3.95Å; Y283-H285 AromaticContact CZ-CG 3.85Å; Y283-H285 WeakPolarHBondContact OH-CB 3.37Å; H285-G287 PolarHBondContact O-N 3Å; H285-C289 PolarHBondContact CD2-O 3.34Å; H285-C289 PolarHBondContact N-O 2.73Å; H285-C289 VanDerWaalsContact N-O 3.08Å; H285-C289 PolarHBondContact NE2-SG 3.1Å; H285-C289 WeakPolarHBondContact O-CA 3.1Å; H285-C289 WeakPolarHBondContact O-CB 3.39Å; H285-C289 PolarHBondContact O-N 3.5Å; H285-H291 AromaticContact CD2-CD2 3.62Å; H285-H291 AromaticContact CD2-NE2 3.57Å; H285-H291 AromaticContact NE2-CD2 3.59Å; H285-H291 AromaticContact NE2-NE2 3.01Å; H285-H291 PolarHBondContact NE2-NE2 3.13Å
286Q93.1Very high95Very high23 Ų2332 Ų3211%0.10719%0.188CC..THydrogen-bonded Turntrans45.737.1-173.4-56.9-43-52.400114.1N196 D197 A215 N288 C289N196-Q286 HydrophobicContact CB-CG 4.15Å; D197-Q286 PolarHBondContact OD1-NE2 2.9Å; A215-Q286 VanDerWaalsContact C-OE1 3.22Å; A215-Q286 VanDerWaalsContact CB-OE1 3.25Å; A215-Q286 PolarHBondContact O-OE1 2.96Å; Q286-N288 PolarHBondContact O-N 3.43Å; Q286-N288 VanDerWaalsContact O-N 3.13Å; Q286-C289 HydrophobicContact CB-CB 4.45Å
287G90.2Very high94.9Very high46 Ų4634.8 Ų34.847%0.47421%0.205SC..THydrogen-bonded Turntrans85.1-62.9179.500000114.6H285H285-G287 PolarHBondContact O-N 3Å
288N90.2Very high95Very high136 Ų13633.7 Ų33.773%0.72720%0.199SC*.THydrogen-bonded Turntrans-133.312.6-174.370.6-23.2000114.4Q286 E290Q286-N288 PolarHBondContact O-N 3.43Å; Q286-N288 VanDerWaalsContact O-N 3.13Å; N288-E290 PolarHBondContact O-N 2.83Å
289C92.1Very high95Very high5 Ų535.1 Ų35.13%0.03420%0.201CC..EExtended strand (participates in β ladder)trans-80.1103.7175.2-1730000109.6N196 I284 H285 Q286 H291N196-C289 PolarHBondContact ND2-SG 3.49Å; I284-C289 WeakPolarHBondContact CA-O 3.28Å; H285-C289 PolarHBondContact CD2-O 3.34Å; H285-C289 PolarHBondContact N-O 2.73Å; H285-C289 VanDerWaalsContact N-O 3.08Å; H285-C289 PolarHBondContact NE2-SG 3.1Å; H285-C289 WeakPolarHBondContact O-CA 3.1Å; H285-C289 WeakPolarHBondContact O-CB 3.39Å; H285-C289 PolarHBondContact O-N 3.5Å; Q286-C289 HydrophobicContact CB-CB 4.45Å; C289-H291 PolarHBondContact SG-NE2 3.33Å
290E93.6Very high95.1Very high115 Ų11536 Ų3654%0.53720%0.204SC..EExtended strand (participates in β ladder)trans-100.7127.5-176.9-57.1-173.9-173.500111.5P155 V282 Y283 I284 N288P155-E290 VanDerWaalsContact CA-O 3.3Å; P155-E290 WeakPolarHBondContact CA-O 3.27Å; V282-E290 HydrophobicContact CG1-CB 4.47Å; Y283-E290 CarbonylContact O-C 3.48Å; Y283-E290 WeakPolarHBondContact O-CA 3.48Å; I284-E290 HydrophobicContact CD1-CG 4.29Å; I284-E290 HydrophobicContact CG1-CG 4.13Å; N288-E290 PolarHBondContact O-N 2.83Å
291H93.5Very high95.1Very high0 Ų034.5 Ų34.50%020%0.196CC..EExtended strand (participates in β ladder)trans-115.8133.7172.8-62.9-105.8000109.5A153 V282 Y283 H285 C289A153-H291 PolarHBondContact O-ND1 3.31Å; V282-H291 CarbonylContact C-O 3.57Å; V282-H291 WeakPolarHBondContact CA-O 3.46Å; Y283-H291 HydrophobicContact CD1-CB 4.11Å; Y283-H291 AromaticContact CD1-CD2 3.81Å; Y283-H291 PolarHBondContact N-O 3.33Å; Y283-H291 PolarHBondContact O-N 2.92Å; H285-H291 AromaticContact CD2-CD2 3.62Å; H285-H291 AromaticContact CD2-NE2 3.57Å; H285-H291 AromaticContact NE2-CD2 3.59Å; H285-H291 AromaticContact NE2-NE2 3.01Å; H285-H291 PolarHBondContact NE2-NE2 3.13Å; C289-H291 PolarHBondContact SG-NE2 3.33Å
292L94.4Very high94.9Very high67 Ų6738.9 Ų38.935%0.35122%0.217SC..EExtended strand (participates in β ladder)trans-74.7134.2167.2-62179.3000109.4L152 A153 V171 P280 Y281 V282L152-L292 CarbonylContact C-O 3.46Å; L152-L292 WeakPolarHBondContact CA-O 3.36Å; A153-L292 HydrophobicContact CB-CB 3.93Å; A153-L292 PolarHBondContact N-O 3.43Å; V171-L292 HydrophobicContact CG1-CD1 4.17Å; V171-L292 HydrophobicContact CG2-CD1 4.26Å; P280-L292 HydrophobicContact CB-CD2 4.43Å; Y281-L292 WeakPolarHBondContact O-CA 3.08Å; V282-L292 HydrophobicContact CG2-CD2 4.47Å
293V96.3Very high94.5Very high0 Ų044.5 Ų44.50%024%0.241CC..EExtended strand (participates in β ladder)trans-118.5127.6177.9-174.90000108.4V150 V151 L152 F224 F226 Y281V150-V293 HydrophobicContact CG1-CG1 3.6Å; V151-V293 CarbonylContact O-C 3.55Å; V151-V293 WeakPolarHBondContact O-CA 3.3Å; L152-V293 HydrophobicContact CD2-CG2 3.99Å; L152-V293 HydrophobicContact CG-CG2 4.33Å; F224-V293 HydrophobicContact CD1-CG2 4.24Å; F224-V293 HydrophobicContact CE1-CG2 4.01Å; F226-V293 HydrophobicContact CE1-CG1 4.15Å; F226-V293 HydrophobicContact CZ-CG1 4.01Å; Y281-V293 WeakPolarHBondContact CA-O 3.12Å; Y281-V293 VanDerWaalsContact CB-O 3.32Å; Y281-V293 WeakPolarHBondContact CB-O 3.37Å; Y281-V293 PolarHBondContact N-O 3.5Å; Y281-V293 PolarHBondContact O-N 3.05Å
294V96.4Very high93.9Very high33 Ų3349 Ų4920%0.226%0.262CS..EExtended strand (participates in β ladder)trans-127123178.3177.70000108.3V151 P280 S296V151-V294 HydrophobicContact CB-CB 4.4Å; V151-V294 PolarHBondContact N-O 3.11Å; V151-V294 PolarHBondContact O-N 2.79Å; P280-V294 HydrophobicContact CB-CG2 4.35Å; P280-V294 HydrophobicContact CG-CG2 4.37Å; V294-S296 PolarHBondContact O-N 3.41Å
295V97.8Very high93.7Very high1 Ų149 Ų491%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-81.1109.5162.8-174.10000106.7L148 V150 I275 L277 G278L148-V295 HydrophobicContact CB-CG1 4.23Å; L148-V295 HydrophobicContact CD2-CG1 4.16Å; V150-V295 HydrophobicContact CG2-CG2 4.48Å; I275-V295 HydrophobicContact CD1-CB 3.93Å; I275-V295 HydrophobicContact CD1-CG1 3.75Å; I275-V295 HydrophobicContact CD1-CG2 3.89Å; L277-V295 CarbonylContact C-O 3.52Å; L277-V295 VanDerWaalsContact CA-O 3.24Å; L277-V295 WeakPolarHBondContact CA-O 3.31Å; L277-V295 HydrophobicContact CD2-CB 4.34Å; L277-V295 HydrophobicContact CD2-CG1 3.75Å; G278-V295 PolarHBondContact N-O 3.17Å
296S95.6Very high93.7Very high55 Ų5549 Ų4939%0.38526%0.262SS..EExtended strand (participates in β ladder)trans-86-35.5-175.4590000112.2T149 V294T149-S296 WeakPolarHBondContact CB-OG 3.37Å; T149-S296 VanDerWaalsContact CG2-OG 3.31Å; T149-S296 WeakPolarHBondContact CG2-OG 3.14Å; T149-S296 PolarHBondContact O-N 3.46Å; T149-S296 PolarHBondContact O-OG 2.78Å; T149-S296 VanDerWaalsContact O-OG 3.06Å; V294-S296 PolarHBondContact O-N 3.41Å
297N96Very high93.7Very high77 Ų7749 Ų4941%0.41226%0.262SS..EExtended strand (participates in β ladder)trans-147.3154.7-177.8-16924.9000110.9T149T149-N297 PolarHBondContact N-O 3.11Å
298I97.6Very high93.9Very high12 Ų1247.5 Ų47.56%0.06224%0.243CC..EExtended strand (participates in β ladder)trans-138130.2168.3-174.3173.9000108V19 F22 A146 V147 L148 L277V19-I298 HydrophobicContact CB-CD1 4.47Å; V19-I298 HydrophobicContact CG1-CD1 3.97Å; V19-I298 HydrophobicContact CG2-CD1 4.29Å; F22-I298 HydrophobicContact CB-CD1 4.38Å; F22-I298 HydrophobicContact CD1-CD1 3.47Å; F22-I298 VanDerWaalsContact CD1-CD1 3.47Å; F22-I298 HydrophobicContact CD1-CG1 3.78Å; F22-I298 HydrophobicContact CD2-CG2 4.48Å; F22-I298 HydrophobicContact CE1-CD1 3.91Å; F22-I298 HydrophobicContact CE1-CG1 3.64Å; F22-I298 HydrophobicContact CE1-CG2 4.46Å; F22-I298 HydrophobicContact CE2-CG2 4.27Å; F22-I298 HydrophobicContact CG-CD1 3.95Å; F22-I298 HydrophobicContact CG-CG1 4.49Å; F22-I298 HydrophobicContact CZ-CG1 4.21Å; F22-I298 HydrophobicContact CZ-CG2 4.27Å; A146-I298 HydrophobicContact CB-CD1 3.98Å; A146-I298 HydrophobicContact CB-CG1 4.06Å; V147-I298 WeakPolarHBondContact O-CA 3.35Å; L148-I298 HydrophobicContact CD2-CD1 4.42Å; L148-I298 HydrophobicContact CG-CD1 4.22Å; L148-I298 HydrophobicContact CG-CG1 4.11Å; L277-I298 HydrophobicContact CD1-CG2 3.95Å; L277-I298 HydrophobicContact CD2-CB 4.3Å; L277-I298 HydrophobicContact CD2-CG2 3.95Å; L277-I298 HydrophobicContact CG-CG2 4.49Å
299H96.8Very high94.2Very high49 Ų4943.2 Ų43.223%0.22722%0.222CC..EExtended strand (participates in β ladder)trans-136.9161.2174.665.3-83.5000110.6A146 V147 D305A146-H299 CarbonylContact C-O 3.55Å; A146-H299 WeakPolarHBondContact CA-O 3.47Å; V147-H299 PolarHBondContact N-O 3.08Å; V147-H299 PolarHBondContact O-N 2.98Å; H299-D305 IonicContact CD2-OD2 3.57Å; H299-D305 PolarHBondContact CD2-OD2 3.01Å; H299-D305 IonicContact CE1-OD1 3.78Å; H299-D305 VanDerWaalsContact NE2-CG 3.34Å; H299-D305 IonicContact NE2-OD1 3.51Å; H299-D305 PolarHBondContact NE2-OD1 2.89Å; H299-D305 IonicContact NE2-OD2 2.69Å; H299-D305 PolarHBondContact NE2-OD2 3.03Å
300F97Very high94.3Very high31 Ų3146.5 Ų46.514%0.13625%0.245CC..EExtended strand (participates in β ladder)trans-80.4139.8172.4-169.5-99.3000109.2R23 A26 E27 I30 N144 H302R23-F300 HydrophobicContact CG-CE2 4.27Å; A26-F300 HydrophobicContact CB-CB 3.87Å; A26-F300 HydrophobicContact CB-CD2 3.57Å; A26-F300 HydrophobicContact CB-CE2 4.29Å; A26-F300 HydrophobicContact CB-CG 3.87Å; E27-F300 HydrophobicContact CB-CE2 3.93Å; E27-F300 HydrophobicContact CB-CZ 4.06Å; I30-F300 HydrophobicContact CD1-CD1 3.18Å; I30-F300 HydrophobicContact CD1-CE1 3.33Å; I30-F300 HydrophobicContact CD1-CG 3.95Å; I30-F300 HydrophobicContact CD1-CZ 4.2Å; N144-F300 HydrophobicContact CB-CE2 4.1Å; N144-F300 HydrophobicContact CB-CZ 3.64Å; F300-H302 PolarHBondContact O-N 2.86Å
301A95Very high94.4Very high18 Ų1843.8 Ų43.815%0.14923%0.23CC..  trans-49.4129.5-178.500000111.9L142 K143 E145 V147L142-A301 HydrophobicContact CD1-CB 4.38Å; L142-A301 HydrophobicContact CD2-CB 3.7Å; L142-A301 HydrophobicContact CG-CB 3.85Å; K143-A301 VanDerWaalsContact O-CB 3.25Å; K143-A301 WeakPolarHBondContact O-CB 3.29Å; E145-A301 HydrophobicContact CB-CB 4.28Å; E145-A301 WeakPolarHBondContact O-CB 3.3Å; E145-A301 PolarHBondContact O-N 2.84Å; V147-A301 HydrophobicContact CG2-CB 4.23Å
302H91.1Very high94.6Very high99 Ų9944.3 Ų44.346%0.45823%0.232SC..  trans-119158.8-178.6-168.8-102.4000110.8F300 E304 D305 Q307F300-H302 PolarHBondContact O-N 2.86Å; H302-E304 WeakPolarHBondContact ND1-CB 3.5Å; H302-E304 PolarHBondContact ND1-N 3.36Å; H302-E304 VanDerWaalsContact ND1-N 3.15Å; H302-E304 PolarHBondContact O-N 3.32Å; H302-E304 VanDerWaalsContact O-N 3.16Å; H302-D305 PolarHBondContact N-OD2 3.1Å; H302-D305 WeakPolarHBondContact O-CB 3.21Å; H302-D305 PolarHBondContact O-N 2.85Å; H302-Q307 PolarHBondContact O-NE2 3.08Å
303E86.8Confident94.7Very high151 Ų15142.6 Ų42.671%0.70622%0.224SC*.THydrogen-bonded Turntrans-62.3-21.1175.956.4165.2-153.900113.8Q307E303-Q307 PolarHBondContact O-NE2 2.98Å
304E86.8Confident94.7Very high96 Ų9642.6 Ų42.645%0.44923%0.225SC..THydrogen-bonded Turntrans-83.8-8.6173.6-67.7-160.8165.100113.4R128 H302R128-E304 WeakPolarHBondContact CD-O 3.3Å; R128-E304 WeakPolarHBondContact CG-O 3.38Å; R128-E304 IonicContact CZ-OE2 3.62Å; R128-E304 PolarHBondContact NE-O 2.85Å; R128-E304 IonicContact NH1-OE2 3.92Å; R128-E304 PolarHBondContact NH1-OE2 2.78Å; R128-E304 PolarHBondContact NH2-O 3.35Å; R128-E304 IonicContact NH2-OE2 2.72Å; H302-E304 WeakPolarHBondContact ND1-CB 3.5Å; H302-E304 PolarHBondContact ND1-N 3.36Å; H302-E304 VanDerWaalsContact ND1-N 3.15Å; H302-E304 PolarHBondContact O-N 3.32Å; H302-E304 VanDerWaalsContact O-N 3.16Å
305D92.4Very high94.6Very high13 Ų1343.3 Ų43.37%0.0723%0.227CC..SBendtrans-73159.3171.7-67.9-46.5000110.3L142 H299 H302 Q307L142-D305 HydrophobicContact CD2-CB 3.92Å; H299-D305 IonicContact CD2-OD2 3.57Å; H299-D305 PolarHBondContact CD2-OD2 3.01Å; H299-D305 IonicContact CE1-OD1 3.78Å; H299-D305 VanDerWaalsContact NE2-CG 3.34Å; H299-D305 IonicContact NE2-OD1 3.51Å; H299-D305 PolarHBondContact NE2-OD1 2.89Å; H299-D305 IonicContact NE2-OD2 2.69Å; H299-D305 PolarHBondContact NE2-OD2 3.03Å; H302-D305 PolarHBondContact N-OD2 3.1Å; H302-D305 WeakPolarHBondContact O-CB 3.21Å; H302-D305 PolarHBondContact O-N 2.85Å; D305-Q307 WeakPolarHBondContact O-CG 3.16Å; D305-Q307 PolarHBondContact O-N 3.33Å; D305-Q307 VanDerWaalsContact O-N 3.08Å; D305-Q307 PolarHBondContact O-NE2 3.48Å
306P94.1Very high94.3Very high2 Ų243.6 Ų43.61%0.01323%0.229CC..  trans-51.5115.9165.6-28.237.6000110.9L124 Y127 W311 Y312 I314L124-P306 HydrophobicContact CD2-CG 4.27Å; Y127-P306 HydrophobicContact CD2-CG 4.29Å; Y127-P306 HydrophobicContact CG-CB 4.2Å; Y127-P306 HydrophobicContact CG-CG 4.26Å; P306-W311 HydrophobicContact CB-CE3 3.78Å; P306-W311 HydrophobicContact CB-CZ3 4.16Å; P306-Y312 HydrophobicContact CB-CE2 4.06Å; P306-Y312 WeakPolarHBondContact CD-OH 3.23Å; P306-Y312 VanDerWaalsContact O-CE2 3.3Å; P306-Y312 WeakPolarHBondContact O-CE2 3.45Å; P306-Y312 PolarHBondContact O-OH 3.36Å; P306-Y312 VanDerWaalsContact O-OH 3.13Å; P306-I314 HydrophobicContact CB-CD1 3.39Å; P306-I314 HydrophobicContact CG-CD1 3.46Å; P306-I314 VanDerWaalsContact CG-CD1 3.46Å
307Q94.4Very high94.1Very high23 Ų2341.6 Ų41.611%0.10721%0.214CC..  trans-86-7.3-165.6-66.8-62-69.300115.1A131 I136 R141 L142 H302 E303 D305A131-Q307 HydrophobicContact CB-CB 3.86Å; A131-Q307 HydrophobicContact CB-CG 3.93Å; I136-Q307 HydrophobicContact CD1-CB 3.5Å; R141-Q307 CarbonylContact C-O 3.57Å; R141-Q307 WeakPolarHBondContact CA-O 3.21Å; L142-Q307 PolarHBondContact N-O 2.93Å; H302-Q307 PolarHBondContact O-NE2 3.08Å; E303-Q307 PolarHBondContact O-NE2 2.98Å; D305-Q307 WeakPolarHBondContact O-CG 3.16Å; D305-Q307 PolarHBondContact O-N 3.33Å; D305-Q307 VanDerWaalsContact O-N 3.08Å; D305-Q307 PolarHBondContact O-NE2 3.48Å
308D95Very high93.5Very high14 Ų1443.7 Ų43.78%0.07522%0.219CC..BIsolated β-bridgetrans-102.6115.7178.3-169-35.7000109.5I136 N140 S310 W311I136-D308 HydrophobicContact CD1-CB 4.12Å; I136-D308 HydrophobicContact CG1-CB 4.24Å; I136-D308 HydrophobicContact CG2-CB 3.89Å; N140-D308 WeakPolarHBondContact CB-OD1 3.36Å; N140-D308 WeakPolarHBondContact O-CA 3.35Å; D308-S310 VanDerWaalsContact CG-OG 3.24Å; D308-S310 PolarHBondContact O-N 3.42Å; D308-S310 VanDerWaalsContact OD1-CB 3.25Å; D308-S310 WeakPolarHBondContact OD1-CB 3.34Å; D308-S310 PolarHBondContact OD1-N 2.85Å; D308-S310 PolarHBondContact OD1-OG 3.45Å; D308-W311 HydrophobicContact CB-CD2 3.61Å; D308-W311 HydrophobicContact CB-CE3 3.83Å; D308-W311 HydrophobicContact CB-CG 4.09Å; D308-W311 HydrophobicContact CB-CH2 4.16Å; D308-W311 HydrophobicContact CB-CZ2 3.9Å; D308-W311 HydrophobicContact CB-CZ3 4.11Å; D308-W311 WeakPolarHBondContact O-CB 3.23Å; D308-W311 PolarHBondContact O-N 3.38Å; D308-W311 VanDerWaalsContact O-N 3.11Å
309V95.8Very high92.3Very high46 Ų4647.7 Ų47.728%0.27923%0.234SC..G310 helixtrans-61.3-24.6-179-58.70000112.6N140 L142 L180 W311 Y312N140-V309 HydrophobicContact CB-CG2 4.14Å; N140-V309 WeakPolarHBondContact O-CG1 3.45Å; N140-V309 WeakPolarHBondContact O-CG2 3.43Å; N140-V309 PolarHBondContact O-N 3.16Å; L142-V309 HydrophobicContact CB-CG1 4.38Å; L142-V309 HydrophobicContact CD1-CG1 4.06Å; L180-V309 HydrophobicContact CD1-CB 4Å; L180-V309 HydrophobicContact CD1-CG1 3.89Å; V309-W311 PolarHBondContact O-N 2.89Å; V309-Y312 PolarHBondContact O-N 3.48Å; V309-Y312 VanDerWaalsContact O-N 3.16Å
310S94.5Very high90.9Very high75 Ų7548 Ų4852%0.52425%0.245SC..G310 helixtrans-70-13.5178.670.40000113.7D308 Y312D308-S310 VanDerWaalsContact CG-OG 3.24Å; D308-S310 PolarHBondContact O-N 3.42Å; D308-S310 VanDerWaalsContact OD1-CB 3.25Å; D308-S310 WeakPolarHBondContact OD1-CB 3.34Å; D308-S310 PolarHBondContact OD1-N 2.85Å; D308-S310 PolarHBondContact OD1-OG 3.45Å; S310-Y312 VanDerWaalsContact C-N 3.33Å
311W95.3Very high89.4Confident57 Ų5754.5 Ų54.522%0.21627%0.273CS..G310 helixtrans-79.2-19.8174.1-60.6-17.1000112.7Y127 I130 A131 I136 P306 D308 V309 P313 I314Y127-W311 AromaticContact CD1-CD2 3.5Å; Y127-W311 HydrophobicContact CD1-CD2 3.5Å; Y127-W311 VanDerWaalsContact CD1-CD2 3.5Å; Y127-W311 AromaticContact CD1-CE3 3.24Å; Y127-W311 HydrophobicContact CD1-CE3 3.24Å; Y127-W311 HydrophobicContact CD1-CG 4.14Å; Y127-W311 HydrophobicContact CD1-CH2 4.06Å; Y127-W311 HydrophobicContact CD1-CZ2 4.31Å; Y127-W311 AromaticContact CD1-CZ3 3.54Å; Y127-W311 HydrophobicContact CD1-CZ3 3.54Å; Y127-W311 HydrophobicContact CE1-CB 4.12Å; Y127-W311 AromaticContact CE1-CD2 3.68Å; Y127-W311 HydrophobicContact CE1-CD2 3.68Å; Y127-W311 AromaticContact CE1-CE3 3.89Å; Y127-W311 HydrophobicContact CE1-CE3 3.89Å; Y127-W311 AromaticContact CE1-CG 3.83Å; Y127-W311 HydrophobicContact CE1-CG 3.83Å; Y127-W311 AromaticContact CG-CE3 3.94Å; Y127-W311 HydrophobicContact CG-CE3 3.94Å; Y127-W311 HydrophobicContact CG-CZ3 4.09Å; I130-W311 HydrophobicContact CB-CH2 4.05Å; I130-W311 HydrophobicContact CB-CZ2 4.46Å; I130-W311 HydrophobicContact CG2-CH2 3.74Å; I130-W311 HydrophobicContact CG2-CZ2 3.73Å; A131-W311 HydrophobicContact CB-CH2 4.43Å; I136-W311 HydrophobicContact CD1-CH2 4.48Å; P306-W311 HydrophobicContact CB-CE3 3.78Å; P306-W311 HydrophobicContact CB-CZ3 4.16Å; D308-W311 HydrophobicContact CB-CD2 3.61Å; D308-W311 HydrophobicContact CB-CE3 3.83Å; D308-W311 HydrophobicContact CB-CG 4.09Å; D308-W311 HydrophobicContact CB-CH2 4.16Å; D308-W311 HydrophobicContact CB-CZ2 3.9Å; D308-W311 HydrophobicContact CB-CZ3 4.11Å; D308-W311 WeakPolarHBondContact O-CB 3.23Å; D308-W311 PolarHBondContact O-N 3.38Å; D308-W311 VanDerWaalsContact O-N 3.11Å; V309-W311 PolarHBondContact O-N 2.89Å; W311-P313 CarbonylContact O-C 3.52Å; W311-I314 HydrophobicContact CB-CD1 4.14Å; W311-I314 HydrophobicContact CB-CG1 4.14Å; W311-I314 WeakPolarHBondContact O-CG1 3.44Å
312Y97Very high88.2Confident12 Ų1257.2 Ų57.25%0.04729%0.288CS..  trans-82.7145.7-179.5-67.8-103.8000111.2V147 L178 L180 Q183 P306 V309 S310 I314V147-Y312 HydrophobicContact CG1-CE1 4.19Å; L178-Y312 HydrophobicContact CB-CD1 4.09Å; L178-Y312 HydrophobicContact CB-CE1 3.75Å; L178-Y312 WeakPolarHBondContact O-CD1 3.25Å; L180-Y312 HydrophobicContact CD1-CD1 4.39Å; L180-Y312 HydrophobicContact CD1-CD2 3.99Å; L180-Y312 HydrophobicContact CD1-CE2 4.47Å; L180-Y312 HydrophobicContact CD1-CG 3.94Å; L180-Y312 HydrophobicContact CD2-CD1 3.61Å; L180-Y312 HydrophobicContact CD2-CD2 4.22Å; L180-Y312 HydrophobicContact CD2-CE1 3.46Å; L180-Y312 VanDerWaalsContact CD2-CE1 3.46Å; L180-Y312 HydrophobicContact CD2-CE2 4.11Å; L180-Y312 HydrophobicContact CD2-CG 3.98Å; L180-Y312 HydrophobicContact CG-CD1 3.66Å; L180-Y312 HydrophobicContact CG-CD2 4.15Å; L180-Y312 HydrophobicContact CG-CE1 4.07Å; L180-Y312 HydrophobicContact CG-CG 3.69Å; Q183-Y312 VanDerWaalsContact NE2-C 3.27Å; Q183-Y312 PolarHBondContact NE2-O 2.87Å; Q183-Y312 VanDerWaalsContact NE2-O 3.12Å; P306-Y312 HydrophobicContact CB-CE2 4.06Å; P306-Y312 WeakPolarHBondContact CD-OH 3.23Å; P306-Y312 VanDerWaalsContact O-CE2 3.3Å; P306-Y312 WeakPolarHBondContact O-CE2 3.45Å; P306-Y312 PolarHBondContact O-OH 3.36Å; P306-Y312 VanDerWaalsContact O-OH 3.13Å; V309-Y312 PolarHBondContact O-N 3.48Å; V309-Y312 VanDerWaalsContact O-N 3.16Å; S310-Y312 VanDerWaalsContact C-N 3.33Å; Y312-I314 HydrophobicContact CD1-CD1 4.23Å; Y312-I314 HydrophobicContact CD1-CG1 4.27Å; Y312-I314 HydrophobicContact CD2-CD1 4.08Å; Y312-I314 HydrophobicContact CD2-CG1 4.41Å; Y312-I314 HydrophobicContact CE1-CD1 4.05Å; Y312-I314 HydrophobicContact CE2-CD1 3.88Å; Y312-I314 HydrophobicContact CG-CD1 4.25Å; Y312-I314 HydrophobicContact CG-CG1 4.21Å
313P97.1Very high87.6Confident30 Ų3056.2 Ų56.220%0.19529%0.285CS..SBendcis-67.6135.3-5.1-21.837000112.7L177 L178 V179 E187 A191 W311L177-P313 HydrophobicContact CD2-CB 4.05Å; L178-P313 CarbonylContact O-C 3.58Å; L178-P313 VanDerWaalsContact O-CA 3.26Å; L178-P313 WeakPolarHBondContact O-CA 3.49Å; V179-P313 HydrophobicContact CG1-CB 3.97Å; V179-P313 HydrophobicContact CG1-CG 4.25Å; E187-P313 HydrophobicContact CB-CG 4.34Å; A191-P313 HydrophobicContact CB-CB 4.01Å; A191-P313 HydrophobicContact CB-CG 4.01Å; W311-P313 CarbonylContact O-C 3.52Å
314I95.8Very high87.6Confident1 Ų150.9 Ų50.91%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-95.8109.8179.5-60.6171.5000108.3L124 Y127 L177 L178 P306 W311 Y312 F316L124-I314 HydrophobicContact CD2-CG2 4.14Å; Y127-I314 HydrophobicContact CD2-CD1 4.42Å; Y127-I314 HydrophobicContact CD2-CG2 4.27Å; Y127-I314 HydrophobicContact CE2-CD1 4.36Å; Y127-I314 HydrophobicContact CE2-CG2 3.56Å; L177-I314 CarbonylContact C-O 3.48Å; L177-I314 WeakPolarHBondContact CA-O 3.29Å; L178-I314 HydrophobicContact CB-CB 4.34Å; L178-I314 PolarHBondContact N-O 2.89Å; L178-I314 PolarHBondContact O-N 2.82Å; P306-I314 HydrophobicContact CB-CD1 3.39Å; P306-I314 HydrophobicContact CG-CD1 3.46Å; P306-I314 VanDerWaalsContact CG-CD1 3.46Å; W311-I314 HydrophobicContact CB-CD1 4.14Å; W311-I314 HydrophobicContact CB-CG1 4.14Å; W311-I314 WeakPolarHBondContact O-CG1 3.44Å; Y312-I314 HydrophobicContact CD1-CD1 4.23Å; Y312-I314 HydrophobicContact CD1-CG1 4.27Å; Y312-I314 HydrophobicContact CD2-CD1 4.08Å; Y312-I314 HydrophobicContact CD2-CG1 4.41Å; Y312-I314 HydrophobicContact CE1-CD1 4.05Å; Y312-I314 HydrophobicContact CE2-CD1 3.88Å; Y312-I314 HydrophobicContact CG-CD1 4.25Å; Y312-I314 HydrophobicContact CG-CG1 4.21Å; I314-F316 HydrophobicContact CG2-CB 4.32Å; I314-F316 PolarHBondContact O-N 3.3Å
315D93.9Very high87.8Confident48 Ų4849.9 Ų49.926%0.25726%0.258SS..EExtended strand (participates in β ladder)trans-77.4107.3165.1-179.50.4000108.9L123 R175 L177 T317L123-D315 WeakPolarHBondContact CD2-O 3.37Å; R175-D315 WeakPolarHBondContact CD-OD2 3.49Å; R175-D315 IonicContact CZ-OD2 3Å; R175-D315 IonicContact NE-OD2 2.98Å; R175-D315 IonicContact NH1-OD2 3.79Å; R175-D315 PolarHBondContact NH1-OD2 2.93Å; L177-D315 HydrophobicContact CD2-CB 4.16Å; L177-D315 HydrophobicContact CG-CB 4.33Å; D315-T317 WeakPolarHBondContact OD1-CB 3.49Å; D315-T317 PolarHBondContact OD1-N 2.9Å; D315-T317 PolarHBondContact OD1-OG1 2.91Å
316F93.2Very high87.9Confident7 Ų749.3 Ų49.33%0.03126%0.255CS..  trans-111.636.2177.767.9-71.4000111.4I119 D120 L123 L124 T149 V176 L178 I314I119-F316 HydrophobicContact CG2-CD2 3.56Å; I119-F316 HydrophobicContact CG2-CE2 3.46Å; I119-F316 VanDerWaalsContact CG2-CE2 3.46Å; D120-F316 PolarHBondContact N-O 3.48Å; L123-F316 HydrophobicContact CD2-CB 4.08Å; L124-F316 HydrophobicContact CD1-CD2 3.61Å; L124-F316 HydrophobicContact CD1-CE2 3.77Å; L124-F316 HydrophobicContact CD1-CG 4.13Å; L124-F316 HydrophobicContact CD1-CZ 4.42Å; L124-F316 HydrophobicContact CD2-CB 3.89Å; L124-F316 HydrophobicContact CD2-CD1 4.37Å; L124-F316 HydrophobicContact CD2-CD2 4.26Å; L124-F316 HydrophobicContact CD2-CG 3.94Å; L124-F316 HydrophobicContact CG-CB 4.08Å; L124-F316 HydrophobicContact CG-CD2 3.88Å; L124-F316 HydrophobicContact CG-CG 4.05Å; T149-F316 HydrophobicContact CG2-CE1 4.49Å; T149-F316 HydrophobicContact CG2-CZ 4.01Å; V176-F316 HydrophobicContact CB-CE1 4.18Å; V176-F316 HydrophobicContact CB-CZ 4.2Å; V176-F316 HydrophobicContact CG1-CD1 4.42Å; V176-F316 HydrophobicContact CG1-CE1 3.57Å; V176-F316 HydrophobicContact CG1-CE2 3.99Å; V176-F316 HydrophobicContact CG1-CZ 3.32Å; V176-F316 WeakPolarHBondContact O-CD1 3.37Å; V176-F316 PolarHBondContact O-N 2.81Å; L178-F316 HydrophobicContact CD2-CE1 3.73Å; L178-F316 HydrophobicContact CD2-CZ 3.98Å; L178-F316 HydrophobicContact CG-CD1 3.99Å; L178-F316 HydrophobicContact CG-CE1 3.55Å; L178-F316 HydrophobicContact CG-CZ 4.19Å; I314-F316 HydrophobicContact CG2-CB 4.32Å; I314-F316 PolarHBondContact O-N 3.3Å
317T89.7Confident87.9Confident13 Ų1351.6 Ų51.68%0.0827%0.267CS..BIsolated β-bridgetrans-85.2126.6175.2-42.30000111R118 D174 R175 V176 D315 R319R118-T317 CarbonylContact O-C 3.57Å; R118-T317 WeakPolarHBondContact O-CA 3.46Å; R118-T317 VanDerWaalsContact O-CG2 3.24Å; R118-T317 WeakPolarHBondContact O-CG2 3.47Å; D174-T317 WeakPolarHBondContact O-CG2 3.38Å; R175-T317 VanDerWaalsContact CA-OG1 3.27Å; R175-T317 WeakPolarHBondContact CA-OG1 3.44Å; V176-T317 PolarHBondContact N-OG1 3.36Å; V176-T317 PolarHBondContact O-OG1 3.5Å; D315-T317 WeakPolarHBondContact OD1-CB 3.49Å; D315-T317 PolarHBondContact OD1-N 2.9Å; D315-T317 PolarHBondContact OD1-OG1 2.91Å; T317-R319 PolarHBondContact O-N 2.82Å; T317-R319 VanDerWaalsContact O-N 3.11Å
318K83.6Confident88Confident120 Ų12054 Ų5452%0.52228%0.283SS..  trans-74.898.9163.8-167172.7-173.1179.40109.3R117 R118 D120 A320R117-K318 WeakPolarHBondContact O-CB 3.44Å; R117-K318 WeakPolarHBondContact O-CD 3.23Å; R118-K318 PolarHBondContact O-N 3.25Å; D120-K318 HydrophobicContact CB-CB 4.27Å; K318-A320 PolarHBondContact O-N 3.47Å
319R73.7Confident88Confident96 Ų9655.9 Ų55.936%0.36230%0.297SS..  trans-70127.2178.3-70-177.8-104.4174.82.6110.4T317 K321 S379 L382T317-R319 PolarHBondContact O-N 2.82Å; T317-R319 VanDerWaalsContact O-N 3.11Å; R319-K321 PolarHBondContact O-N 3.36Å; R319-S379 PolarHBondContact NH1-O 3.44Å; R319-L382 PolarHBondContact NH1-OXT 2.98Å; R319-L382 PolarHBondContact NH2-OXT 3.11Å
320A66.4Low87.9Confident56 Ų5659.3 Ų59.346%0.46331%0.31SS..  trans-72.9121.5163.800000107.7K318 T322K318-A320 PolarHBondContact O-N 3.47Å; A320-T322 PolarHBondContact O-N 2.89Å
321K66.5Low87.8Confident167 Ų16761.7 Ų61.773%0.72632%0.317SS*.  trans-67.998.3173.7-66.4-175.9179.4-176.50108.9R319 I323 N380R319-K321 PolarHBondContact O-N 3.36Å; K321-I323 HydrophobicContact CB-CG1 4.34Å; K321-I323 PolarHBondContact O-N 3.41Å; K321-N380 WeakPolarHBondContact CA-OD1 3.45Å
322T68.4Low87.7Confident75 Ų7561.5 Ų61.546%0.4632%0.324SS..  trans-79.1100.8166.3-53.40000107.4A320 V324 N380A320-T322 PolarHBondContact O-N 2.89Å; T322-V324 HydrophobicContact CG2-CG2 4.48Å; T322-N380 PolarHBondContact N-ND2 3.36Å; T322-N380 PolarHBondContact O-ND2 2.93Å
323I78.9Confident87.4Confident78 Ų7867.9 Ų67.940%0.435%0.349SS..  trans-93.6127.6175-64.6177.2000107.6K321 Y333K321-I323 HydrophobicContact CB-CG1 4.34Å; K321-I323 PolarHBondContact O-N 3.41Å; I323-Y333 HydrophobicContact CB-CE1 4.5Å; I323-Y333 HydrophobicContact CD1-CE1 4.28Å; I323-Y333 HydrophobicContact CG2-CD1 3.21Å; I323-Y333 HydrophobicContact CG2-CE1 3.18Å; I323-Y333 HydrophobicContact CG2-CG 4.28Å
324V86.3Confident87.1Confident40 Ų4067 Ų6724%0.24234%0.344CS..  trans-107.1117.5172.9-176.40000107.8T322 A334 F350 L376T322-V324 HydrophobicContact CG2-CG2 4.48Å; V324-A334 HydrophobicContact CB-CB 4.5Å; V324-A334 HydrophobicContact CG1-CB 4.14Å; V324-A334 PolarHBondContact O-N 2.99Å; V324-F350 HydrophobicContact CG1-CB 4.14Å; V324-F350 HydrophobicContact CG1-CD1 4.14Å; V324-F350 HydrophobicContact CG1-CD2 4.02Å; V324-F350 HydrophobicContact CG1-CE2 4.5Å; V324-F350 HydrophobicContact CG1-CG 3.84Å; V324-L376 HydrophobicContact CB-CD2 3.64Å; V324-L376 HydrophobicContact CG1-CD2 3.82Å; V324-L376 HydrophobicContact CG2-CD2 4.03Å
325H92.2Very high86.6Confident75 Ų7571.7 Ų71.735%0.34737%0.365SS..BIsolated β-bridgetrans-80.7157174.1-69.9-83.5000110.5D327 D331 Y333H325-D327 PolarHBondContact O-N 2.92Å; H325-D331 PolarHBondContact ND1-O 2.55Å; H325-Y333 AromaticContact CE1-CD1 3.85Å; H325-Y333 AromaticContact CE1-CE1 3.58Å; H325-Y333 AromaticContact ND1-CD1 3.92Å
326C94.3Very high86.3Confident0 Ų073.1 Ų73.10%037%0.366CS..  trans-63.3132.5172.6176.30000110.6V328 Q330 S332 F350 C352C326-V328 PolarHBondContact O-N 2.59Å; C326-V328 PolarHBondContact SG-N 3.13Å; C326-V328 VanDerWaalsContact SG-N 3.38Å; C326-Q330 WeakPolarHBondContact O-CA 3.33Å; C326-Q330 PolarHBondContact O-N 3.31Å; C326-Q330 PolarHBondContact O-NE2 3.08Å; C326-S332 WeakPolarHBondContact CB-O 3.41Å; C326-S332 PolarHBondContact N-O 3.14Å; C326-F350 CarbonylContact C-O 3.51Å; C326-F350 WeakPolarHBondContact CA-O 3.23Å; C326-F350 PolarHBondContact SG-O 3.2Å; C326-C352 HydrophobicContact CB-CB 3.78Å; C326-C352 PolarHBondContact SG-N 2.8Å
327D94.9Very high86.1Confident50 Ų5074.3 Ų74.327%0.26737%0.373SS..THydrogen-bonded Turntrans-64.3-26.6179.7-72.8-30.5000113H325 Q330 M349 F350H325-D327 PolarHBondContact O-N 2.92Å; D327-Q330 PolarHBondContact O-NE2 2.85Å; D327-M349 HydrophobicContact CB-CB 4.4Å; D327-M349 HydrophobicContact CB-CE 3.52Å; D327-M349 WeakPolarHBondContact OD2-CA 3.39Å; D327-F350 PolarHBondContact N-O 2.99Å; D327-F350 VanDerWaalsContact OD2-CD2 3.29Å; D327-F350 WeakPolarHBondContact OD2-CD2 3.48Å; D327-F350 PolarHBondContact OD2-N 3.33Å
328V94.5Very high86Confident75 Ų7573.7 Ų73.746%0.45537%0.369SS..THydrogen-bonded Turntrans-80.4-57.4-178.2-177.40000112.1C326 M349 F351 C355C326-V328 PolarHBondContact O-N 2.59Å; C326-V328 PolarHBondContact SG-N 3.13Å; C326-V328 VanDerWaalsContact SG-N 3.38Å; V328-M349 HydrophobicContact CG2-CE 4.34Å; V328-F351 HydrophobicContact CG2-CD1 3.95Å; V328-F351 HydrophobicContact CG2-CE1 3.42Å; V328-F351 VanDerWaalsContact CG2-CE1 3.42Å; V328-F351 HydrophobicContact CG2-CE2 4.33Å; V328-F351 HydrophobicContact CG2-CZ 3.63Å; V328-C355 HydrophobicContact CB-CB 4.06Å; V328-C355 HydrophobicContact CG1-CB 4.32Å; V328-C355 HydrophobicContact CG2-CB 4.41Å
329C95.5Very high86.2Confident52 Ų5271.6 Ų71.635%0.35136%0.36SS..THydrogen-bonded Turntrans-94-19.3-175.5700000114.4D331C329-D331 PolarHBondContact O-N 3.07Å
330Q94.1Very high86.7Confident118 Ų11867.1 Ų67.155%0.55134%0.344SS*.SBendtrans56.312.5-175.8-59.9-67-30.700115.2C326 D327C326-Q330 WeakPolarHBondContact O-CA 3.33Å; C326-Q330 PolarHBondContact O-N 3.31Å; C326-Q330 PolarHBondContact O-NE2 3.08Å; D327-Q330 PolarHBondContact O-NE2 2.85Å
331D93Very high87.4Confident126 Ų12672 Ų7267%0.67436%0.357SS*.SBendtrans-111.4-68.7-175.5-175.841.4000109.9H325 C329H325-D331 PolarHBondContact ND1-O 2.55Å; C329-D331 PolarHBondContact O-N 3.07Å
332S92.4Very high88.2Confident53 Ų5371.8 Ų71.837%0.37136%0.364SS..SBendtrans-68.1149.9176.9-60.70000113C326C326-S332 WeakPolarHBondContact CB-O 3.41Å; C326-S332 PolarHBondContact N-O 3.14Å
333Y90.4Very high89Confident145 Ų14572.8 Ų72.857%0.56936%0.363SS*.BIsolated β-bridgetrans-66.2139.7173.3-52.2-46.9000111.7I323 H325 C352I323-Y333 HydrophobicContact CB-CE1 4.5Å; I323-Y333 HydrophobicContact CD1-CE1 4.28Å; I323-Y333 HydrophobicContact CG2-CD1 3.21Å; I323-Y333 HydrophobicContact CG2-CE1 3.18Å; I323-Y333 HydrophobicContact CG2-CG 4.28Å; H325-Y333 AromaticContact CE1-CD1 3.85Å; H325-Y333 AromaticContact CE1-CE1 3.58Å; H325-Y333 AromaticContact ND1-CD1 3.92Å; Y333-C352 WeakPolarHBondContact O-CA 3.41Å; Y333-C352 WeakPolarHBondContact O-CB 3.46Å
334A91Very high89.4Confident12 Ų1270 Ų7010%0.09935%0.349CS..PPolyproline II helixtrans-68.2136.317300000110.5V324 F350 F351 L376V324-A334 HydrophobicContact CB-CB 4.5Å; V324-A334 HydrophobicContact CG1-CB 4.14Å; V324-A334 PolarHBondContact O-N 2.99Å; A334-F350 HydrophobicContact CB-CB 3.65Å; A334-F351 CarbonylContact C-O 3.55Å; A334-F351 WeakPolarHBondContact CA-O 3.32Å; A334-L376 HydrophobicContact CB-CD2 3.73Å
335K86.5Confident89.6Confident100 Ų10073.6 Ų73.644%0.43537%0.373SS..  trans-108-23.7171.3-66-165.5-176.2177.40112F351 E353 L376K335-F351 PolarHBondContact N-O 3.04Å; K335-E353 HydrophobicContact CD-CB 4.16Å; K335-E353 IonicContact NZ-OE2 3.17Å; K335-E353 PolarHBondContact NZ-OE2 2.75Å; K335-L376 PolarHBondContact O-N 3.01Å
336W87Confident89.4Confident77 Ų7775.7 Ų75.729%0.29238%0.383SS..EExtended strand (participates in β ladder)trans-132.1142.5-171.1-52.8118.7000111.7V338 F350 F351 L373 L374 P375W336-V338 HydrophobicContact CB-CG2 4.32Å; W336-F350 CarbonylContact O-C 3.58Å; W336-F350 WeakPolarHBondContact O-CA 3.4Å; W336-F351 PolarHBondContact N-O 3.26Å; W336-F351 PolarHBondContact O-N 3.5Å; W336-L373 HydrophobicContact CB-CD1 3.46Å; W336-L373 VanDerWaalsContact CB-CD1 3.46Å; W336-L373 HydrophobicContact CB-CG 4.3Å; W336-L373 HydrophobicContact CD2-CD1 4.15Å; W336-L373 HydrophobicContact CD2-CD2 4.13Å; W336-L373 HydrophobicContact CD2-CG 4.17Å; W336-L373 HydrophobicContact CE3-CD1 4.39Å; W336-L373 HydrophobicContact CE3-CD2 4.14Å; W336-L373 HydrophobicContact CE3-CG 4Å; W336-L373 HydrophobicContact CG-CD1 3.7Å; W336-L373 HydrophobicContact CG-CD2 4.42Å; W336-L373 HydrophobicContact CG-CG 4.24Å; W336-L374 CarbonylContact C-O 3.49Å; W336-L374 WeakPolarHBondContact CA-O 3.46Å; W336-P375 HydrophobicContact CE3-CB 3.89Å; W336-P375 HydrophobicContact CH2-CB 4.33Å; W336-P375 VanDerWaalsContact CZ3-CA 3.4Å; W336-P375 HydrophobicContact CZ3-CB 3.41Å; W336-P375 VanDerWaalsContact CZ3-CB 3.41Å; W336-P375 HydrophobicContact CZ3-CG 4.2Å
337I88.5Confident88.9Confident33 Ų3380 Ų8017%0.16941%0.411CS..EExtended strand (participates in β ladder)trans-94.7118.9161.4-42.7-177.7000106F339 T348 F350 L374 L376I337-F339 HydrophobicContact CB-CE2 4.18Å; I337-F339 HydrophobicContact CG2-CD2 4.36Å; I337-F339 HydrophobicContact CG2-CE2 3.54Å; I337-F339 HydrophobicContact CG2-CZ 3.67Å; I337-T348 HydrophobicContact CG2-CG2 3.39Å; I337-F350 HydrophobicContact CB-CD1 4.48Å; I337-F350 HydrophobicContact CB-CE1 4.45Å; I337-F350 HydrophobicContact CD1-CE1 4.1Å; I337-F350 HydrophobicContact CG1-CD1 3.98Å; I337-F350 HydrophobicContact CG1-CE1 3.8Å; I337-F350 HydrophobicContact CG2-CD1 4.44Å; I337-F350 HydrophobicContact CG2-CE1 4.15Å; I337-L374 HydrophobicContact CB-CB 4.28Å; I337-L374 PolarHBondContact N-O 2.93Å; I337-L374 PolarHBondContact O-N 3.44Å; I337-L376 HydrophobicContact CD1-CD1 3.82Å; I337-L376 HydrophobicContact CG1-CB 4.02Å; I337-L376 HydrophobicContact CG1-CD1 3.89Å
338V88Confident88.6Confident0 Ų080 Ų800%041%0.413CS..EExtended strand (participates in β ladder)trans-109.8125.2-179.5-173.50000108.2W336 L344 T348 M349 F351 F356 L371 L373W336-V338 HydrophobicContact CB-CG2 4.32Å; V338-L344 HydrophobicContact CB-CD1 4.22Å; V338-L344 HydrophobicContact CG1-CD1 3.93Å; V338-T348 WeakPolarHBondContact O-CA 3.47Å; V338-M349 PolarHBondContact N-O 3.5Å; V338-M349 PolarHBondContact O-N 2.87Å; V338-F351 HydrophobicContact CB-CD2 3.86Å; V338-F351 HydrophobicContact CB-CE2 4.13Å; V338-F351 HydrophobicContact CG2-CB 4.02Å; V338-F351 HydrophobicContact CG2-CD2 3.46Å; V338-F351 VanDerWaalsContact CG2-CD2 3.46Å; V338-F351 HydrophobicContact CG2-CE2 4.14Å; V338-F351 HydrophobicContact CG2-CG 3.91Å; V338-F356 HydrophobicContact CG2-CD2 3.87Å; V338-F356 HydrophobicContact CG2-CE2 4.14Å; V338-L371 HydrophobicContact CG1-CB 4.3Å; V338-L371 HydrophobicContact CG1-CD2 4.4Å; V338-L373 HydrophobicContact CG2-CD1 3.76Å
339F87.1Confident88.5Confident75 Ų7577.3 Ų77.333%0.32940%0.396SS..EExtended strand (participates in β ladder)trans-108.6118.4168.6-53.7-100.1000107.9I337 P347 T348 L371 V372 L374I337-F339 HydrophobicContact CB-CE2 4.18Å; I337-F339 HydrophobicContact CG2-CD2 4.36Å; I337-F339 HydrophobicContact CG2-CE2 3.54Å; I337-F339 HydrophobicContact CG2-CZ 3.67Å; F339-P347 WeakPolarHBondContact CA-O 3.32Å; F339-T348 HydrophobicContact CD1-CG2 3.85Å; F339-T348 WeakPolarHBondContact CD1-OG1 3.29Å; F339-T348 HydrophobicContact CE1-CG2 3.42Å; F339-T348 VanDerWaalsContact CE1-CG2 3.42Å; F339-T348 WeakPolarHBondContact CE1-OG1 3.45Å; F339-T348 HydrophobicContact CE2-CG2 4.36Å; F339-T348 HydrophobicContact CG-CG2 4.49Å; F339-T348 HydrophobicContact CZ-CG2 3.71Å; F339-L371 CarbonylContact O-C 3.57Å; F339-L371 VanDerWaalsContact O-CA 3.23Å; F339-L371 WeakPolarHBondContact O-CA 3.29Å; F339-V372 HydrophobicContact CB-CB 4.19Å; F339-V372 HydrophobicContact CD2-CB 4.33Å; F339-V372 HydrophobicContact CD2-CG1 4.47Å; F339-V372 PolarHBondContact N-O 3.35Å; F339-V372 PolarHBondContact O-N 3.06Å; F339-L374 HydrophobicContact CE2-CD1 3.69Å; F339-L374 HydrophobicContact CE2-CG 4.12Å; F339-L374 HydrophobicContact CZ-CD1 4.36Å
340A84.4Confident88.4Confident2 Ų277.8 Ų77.82%0.01739%0.392CS..  trans-14899.6173.800000107.7H343 L344 F369 L371A340-H343 HydrophobicContact CB-CB 4.16Å; A340-L344 HydrophobicContact CB-CD1 3.88Å; A340-L344 HydrophobicContact CB-CG 4.02Å; A340-L344 PolarHBondContact O-N 2.92Å; A340-F369 HydrophobicContact CB-CD2 3.78Å; A340-F369 HydrophobicContact CB-CE2 3.55Å; A340-L371 HydrophobicContact CB-CB 3.87Å
341E81.3Confident88.3Confident158 Ų15872.2 Ų72.274%0.73837%0.366SS*.THydrogen-bonded Turntrans-58.5141.4176.4-67.5-176175.200109.4H343E341-H343 PolarHBondContact O-CD2 2.86Å; E341-H343 VanDerWaalsContact O-CD2 3.22Å; E341-H343 PolarHBondContact O-N 3.39Å
342D83.6Confident88.3Confident164 Ų16466.4 Ų66.488%0.87734%0.335SS*.THydrogen-bonded Turntrans61.3-6.8178.9-55.4-31.7000117.8
343H85.8Confident88.3Confident96 Ų9668.7 Ų68.744%0.44434%0.34SS..THydrogen-bonded Turntrans-106.4-15.7179.7-66.9-67.9000114.2A340 E341 F369A340-H343 HydrophobicContact CB-CB 4.16Å; E341-H343 PolarHBondContact O-CD2 2.86Å; E341-H343 VanDerWaalsContact O-CD2 3.22Å; E341-H343 PolarHBondContact O-N 3.39Å; H343-F369 HydrophobicContact CB-CD1 4.13Å; H343-F369 HydrophobicContact CB-CD2 3.74Å; H343-F369 HydrophobicContact CB-CE1 4.27Å; H343-F369 HydrophobicContact CB-CE2 3.88Å; H343-F369 HydrophobicContact CB-CG 3.87Å; H343-F369 HydrophobicContact CB-CZ 4.14Å; H343-F369 VanDerWaalsContact CD2-CB 3.48Å; H343-F369 WeakPolarHBondContact CD2-CB 3.21Å; H343-F369 AromaticContact CD2-CD2 3.94Å; H343-F369 AromaticContact CD2-CG 3.78Å; H343-F369 AromaticContact CG-CD2 3.83Å; H343-F369 AromaticContact CG-CG 3.58Å; H343-F369 AromaticContact ND1-CG 3.94Å; H343-F369 WeakPolarHBondContact NE2-CB 3.41Å
344L87.5Confident88.4Confident18 Ų1865.4 Ų65.49%0.09434%0.338CS..SBendtrans-115.3146.3179.1-67174.3000111.3V338 A340 Q346 M349 F351 F359V338-L344 HydrophobicContact CB-CD1 4.22Å; V338-L344 HydrophobicContact CG1-CD1 3.93Å; A340-L344 HydrophobicContact CB-CD1 3.88Å; A340-L344 HydrophobicContact CB-CG 4.02Å; A340-L344 PolarHBondContact O-N 2.92Å; L344-Q346 WeakPolarHBondContact CB-O 3.22Å; L344-Q346 PolarHBondContact O-N 3.44Å; L344-Q346 VanDerWaalsContact O-N 3.12Å; L344-M349 HydrophobicContact CB-CG 4.4Å; L344-M349 HydrophobicContact CB-SD 3.91Å; L344-M349 HydrophobicContact CD1-CB 4.25Å; L344-M349 HydrophobicContact CD1-CG 4.44Å; L344-M349 HydrophobicContact CD2-SD 4.06Å; L344-M349 HydrophobicContact CG-SD 4.41Å; L344-F351 HydrophobicContact CD1-CE2 4.34Å; L344-F351 HydrophobicContact CD2-CE2 3.75Å; L344-F351 HydrophobicContact CD2-CZ 3.61Å; L344-F359 HydrophobicContact CD2-CD1 4.16Å; L344-F359 HydrophobicContact CD2-CE1 3.62Å; L344-F359 HydrophobicContact CD2-CZ 4.48Å
345P89.5Confident88.6Confident116 Ų11665.7 Ų65.775%0.75334%0.339SS*.SBendtrans-53.3-28.9172.1-28.932.5000114.7M349P345-M349 HydrophobicContact CB-SD 4.23Å; P345-M349 VanDerWaalsContact CD-SD 3.56Å; P345-M349 HydrophobicContact CG-SD 4.12Å
346Q88.7Confident88.9Confident119 Ų11961.9 Ų61.956%0.55632%0.322SS*.SBendtrans-128.2146.7171.4-62.3-175.3400109.1L344 T348 M349L344-Q346 WeakPolarHBondContact CB-O 3.22Å; L344-Q346 PolarHBondContact O-N 3.44Å; L344-Q346 VanDerWaalsContact O-N 3.12Å; Q346-T348 PolarHBondContact O-N 3.23Å; Q346-M349 HydrophobicContact CB-CG 3.97Å
347P82.6Confident89.1Confident92 Ų9261.5 Ų61.560%0.59733%0.328SS*.SBendtrans-57-21.8-178.8-24.733.2000113.9F339F339-P347 WeakPolarHBondContact CA-O 3.32Å
348T89.8Confident89.3Confident49 Ų4966.9 Ų66.930%0.30136%0.357SS..EExtended strand (participates in β ladder)trans-134.7128.2176.8-49.70000108.3I337 V338 F339 Q346I337-T348 HydrophobicContact CG2-CG2 3.39Å; V338-T348 WeakPolarHBondContact O-CA 3.47Å; F339-T348 HydrophobicContact CD1-CG2 3.85Å; F339-T348 WeakPolarHBondContact CD1-OG1 3.29Å; F339-T348 HydrophobicContact CE1-CG2 3.42Å; F339-T348 VanDerWaalsContact CE1-CG2 3.42Å; F339-T348 WeakPolarHBondContact CE1-OG1 3.45Å; F339-T348 HydrophobicContact CE2-CG2 4.36Å; F339-T348 HydrophobicContact CG-CG2 4.49Å; F339-T348 HydrophobicContact CZ-CG2 3.71Å; Q346-T348 PolarHBondContact O-N 3.23Å
349M92.3Very high89.4Confident18 Ų1871.4 Ų71.49%0.08938%0.377CS..EExtended strand (participates in β ladder)trans-139.2152.8175.1-69.9-175.470.600111.2D327 V328 V338 L344 P345 Q346 F351D327-M349 HydrophobicContact CB-CB 4.4Å; D327-M349 HydrophobicContact CB-CE 3.52Å; D327-M349 WeakPolarHBondContact OD2-CA 3.39Å; V328-M349 HydrophobicContact CG2-CE 4.34Å; V338-M349 PolarHBondContact N-O 3.5Å; V338-M349 PolarHBondContact O-N 2.87Å; L344-M349 HydrophobicContact CB-CG 4.4Å; L344-M349 HydrophobicContact CB-SD 3.91Å; L344-M349 HydrophobicContact CD1-CB 4.25Å; L344-M349 HydrophobicContact CD1-CG 4.44Å; L344-M349 HydrophobicContact CD2-SD 4.06Å; L344-M349 HydrophobicContact CG-SD 4.41Å; P345-M349 HydrophobicContact CB-SD 4.23Å; P345-M349 VanDerWaalsContact CD-SD 3.56Å; P345-M349 HydrophobicContact CG-SD 4.12Å; Q346-M349 HydrophobicContact CB-CG 3.97Å; M349-F351 HydrophobicContact CB-CD2 4.14Å; M349-F351 HydrophobicContact CB-CE2 3.69Å
350F92.6Very high89.4Confident62 Ų6267.8 Ų67.827%0.27236%0.361SS..EExtended strand (participates in β ladder)trans-95.9124.1178.8-59.3-73.7000111V324 C326 D327 A334 W336 I337 L376V324-F350 HydrophobicContact CG1-CB 4.14Å; V324-F350 HydrophobicContact CG1-CD1 4.14Å; V324-F350 HydrophobicContact CG1-CD2 4.02Å; V324-F350 HydrophobicContact CG1-CE2 4.5Å; V324-F350 HydrophobicContact CG1-CG 3.84Å; C326-F350 CarbonylContact C-O 3.51Å; C326-F350 WeakPolarHBondContact CA-O 3.23Å; C326-F350 PolarHBondContact SG-O 3.2Å; D327-F350 PolarHBondContact N-O 2.99Å; D327-F350 VanDerWaalsContact OD2-CD2 3.29Å; D327-F350 WeakPolarHBondContact OD2-CD2 3.48Å; D327-F350 PolarHBondContact OD2-N 3.33Å; A334-F350 HydrophobicContact CB-CB 3.65Å; W336-F350 CarbonylContact O-C 3.58Å; W336-F350 WeakPolarHBondContact O-CA 3.4Å; I337-F350 HydrophobicContact CB-CD1 4.48Å; I337-F350 HydrophobicContact CB-CE1 4.45Å; I337-F350 HydrophobicContact CD1-CE1 4.1Å; I337-F350 HydrophobicContact CG1-CD1 3.98Å; I337-F350 HydrophobicContact CG1-CE1 3.8Å; I337-F350 HydrophobicContact CG2-CD1 4.44Å; I337-F350 HydrophobicContact CG2-CE1 4.15Å; F350-L376 HydrophobicContact CD1-CD1 4.28Å; F350-L376 HydrophobicContact CD1-CD2 3.97Å; F350-L376 HydrophobicContact CE1-CD1 4Å; F350-L376 HydrophobicContact CE1-CD2 4.42Å
351F91.9Very high89.6Confident1 Ų169.2 Ų69.20%0.00437%0.368CS..EExtended strand (participates in β ladder)trans-116.4135-177.4-80.9-104.9000111.8V328 A334 K335 W336 V338 L344 M349 C355 F356 F359V328-F351 HydrophobicContact CG2-CD1 3.95Å; V328-F351 HydrophobicContact CG2-CE1 3.42Å; V328-F351 VanDerWaalsContact CG2-CE1 3.42Å; V328-F351 HydrophobicContact CG2-CE2 4.33Å; V328-F351 HydrophobicContact CG2-CZ 3.63Å; A334-F351 CarbonylContact C-O 3.55Å; A334-F351 WeakPolarHBondContact CA-O 3.32Å; K335-F351 PolarHBondContact N-O 3.04Å; W336-F351 PolarHBondContact N-O 3.26Å; W336-F351 PolarHBondContact O-N 3.5Å; V338-F351 HydrophobicContact CB-CD2 3.86Å; V338-F351 HydrophobicContact CB-CE2 4.13Å; V338-F351 HydrophobicContact CG2-CB 4.02Å; V338-F351 HydrophobicContact CG2-CD2 3.46Å; V338-F351 VanDerWaalsContact CG2-CD2 3.46Å; V338-F351 HydrophobicContact CG2-CE2 4.14Å; V338-F351 HydrophobicContact CG2-CG 3.91Å; L344-F351 HydrophobicContact CD1-CE2 4.34Å; L344-F351 HydrophobicContact CD2-CE2 3.75Å; L344-F351 HydrophobicContact CD2-CZ 3.61Å; M349-F351 HydrophobicContact CB-CD2 4.14Å; M349-F351 HydrophobicContact CB-CE2 3.69Å; F351-C355 HydrophobicContact CD1-CB 3.84Å; F351-C355 HydrophobicContact CE1-CB 4.38Å; F351-F356 HydrophobicContact CB-CB 4Å; F351-F356 HydrophobicContact CD1-CB 4.31Å; F351-F359 HydrophobicContact CE1-CB 3.97Å; F351-F359 HydrophobicContact CE1-CD1 4.09Å; F351-F359 HydrophobicContact CE1-CG 4.21Å; F351-F359 AromaticContact CZ-CD1 4Å; F351-F359 HydrophobicContact CZ-CD1 4Å; F351-F359 HydrophobicContact CZ-CG 4.49Å
352C93.5Very high90Very high4 Ų464.8 Ų64.83%0.02735%0.349CS..  trans-73.5165.815872.80000109.4C326 Y333 S354 C355 F356C326-C352 HydrophobicContact CB-CB 3.78Å; C326-C352 PolarHBondContact SG-N 2.8Å; Y333-C352 WeakPolarHBondContact O-CA 3.41Å; Y333-C352 WeakPolarHBondContact O-CB 3.46Å; C352-S354 PolarHBondContact O-N 2.93Å; C352-C355 PolarHBondContact O-N 3.38Å; C352-C355 PolarHBondContact SG-N 3.18Å; C352-C355 VanDerWaalsContact SG-N 3.38Å; C352-F356 WeakPolarHBondContact O-CB 3.32Å; C352-F356 PolarHBondContact O-N 3.12Å
353E91.6Very high90.3Very high102 Ų10266.3 Ų66.348%0.47735%0.351SS..Hα-helixtrans-57.1-47.9-179.5-172.8165.9-158.400112.6K335 C355 F356 V357K335-E353 HydrophobicContact CD-CB 4.16Å; K335-E353 IonicContact NZ-OE2 3.17Å; K335-E353 PolarHBondContact NZ-OE2 2.75Å; E353-C355 PolarHBondContact O-N 2.61Å; E353-F356 PolarHBondContact O-N 3.38Å; E353-V357 WeakPolarHBondContact O-CG2 3.42Å; E353-V357 PolarHBondContact O-N 3.49Å
354S94.5Very high90.4Very high76 Ų7667.8 Ų67.853%0.53136%0.363SS..Hα-helixtrans-63.1-46.1-177.8-50.70000112.4C352 F356 V357 L358C352-S354 PolarHBondContact O-N 2.93Å; S354-F356 VanDerWaalsContact C-N 3.33Å; S354-F356 PolarHBondContact O-N 3.01Å; S354-V357 PolarHBondContact O-N 2.86Å; S354-L358 WeakPolarHBondContact O-CB 3.36Å; S354-L358 VanDerWaalsContact O-CG 3.26Å; S354-L358 WeakPolarHBondContact O-CG 3.46Å; S354-L358 PolarHBondContact O-N 2.82Å
355C94.9Very high90.1Very high17 Ų1774.6 Ų74.612%0.11539%0.394CS..Hα-helixtrans-66.9-35.4177.5-69.10000111.9V328 F351 C352 E353 F359V328-C355 HydrophobicContact CB-CB 4.06Å; V328-C355 HydrophobicContact CG1-CB 4.32Å; V328-C355 HydrophobicContact CG2-CB 4.41Å; F351-C355 HydrophobicContact CD1-CB 3.84Å; F351-C355 HydrophobicContact CE1-CB 4.38Å; C352-C355 PolarHBondContact O-N 3.38Å; C352-C355 PolarHBondContact SG-N 3.18Å; C352-C355 VanDerWaalsContact SG-N 3.38Å; E353-C355 PolarHBondContact O-N 2.61Å; C355-F359 WeakPolarHBondContact O-CB 3.32Å; C355-F359 PolarHBondContact O-N 3.37Å
356F91.5Very high89.8Confident20 Ų2076 Ų769%0.08839%0.388CS..Hα-helixtrans-63.8-49.4176.9177.9-103.5000110.8V338 F351 C352 E353 S354 L358 F359 C360 L361 L371 L373V338-F356 HydrophobicContact CG2-CD2 3.87Å; V338-F356 HydrophobicContact CG2-CE2 4.14Å; F351-F356 HydrophobicContact CB-CB 4Å; F351-F356 HydrophobicContact CD1-CB 4.31Å; C352-F356 WeakPolarHBondContact O-CB 3.32Å; C352-F356 PolarHBondContact O-N 3.12Å; E353-F356 PolarHBondContact O-N 3.38Å; S354-F356 VanDerWaalsContact C-N 3.33Å; S354-F356 PolarHBondContact O-N 3.01Å; F356-L358 VanDerWaalsContact C-N 3.33Å; F356-L358 PolarHBondContact O-N 3.22Å; F356-F359 PolarHBondContact O-N 2.79Å; F356-C360 HydrophobicContact CD2-CB 3.69Å; F356-C360 HydrophobicContact CE2-CB 3.52Å; F356-C360 HydrophobicContact CG-CB 4.38Å; F356-C360 HydrophobicContact CZ-CB 4.1Å; F356-C360 WeakPolarHBondContact O-CA 3.48Å; F356-C360 VanDerWaalsContact O-CB 3.23Å; F356-C360 WeakPolarHBondContact O-CB 3.12Å; F356-C360 PolarHBondContact O-N 3.28Å; F356-L361 HydrophobicContact CD1-CD1 4.36Å; F356-L361 HydrophobicContact CD1-CG 4.42Å; F356-L361 HydrophobicContact CE1-CD1 4.03Å; F356-L361 HydrophobicContact CE1-CD2 3.91Å; F356-L361 HydrophobicContact CE1-CG 4.01Å; F356-L361 HydrophobicContact CZ-CD2 4.07Å; F356-L371 HydrophobicContact CE2-CD1 4.37Å; F356-L371 HydrophobicContact CE2-CD2 4.11Å; F356-L371 HydrophobicContact CZ-CD1 4.5Å; F356-L373 HydrophobicContact CD2-CD1 3.99Å; F356-L373 HydrophobicContact CE1-CD2 4.22Å; F356-L373 HydrophobicContact CE2-CD1 3.52Å; F356-L373 HydrophobicContact CE2-CD2 4.42Å; F356-L373 HydrophobicContact CZ-CD1 3.87Å; F356-L373 HydrophobicContact CZ-CD2 3.9Å; F356-L373 HydrophobicContact CZ-CG 4.46Å
357V91.4Very high89.6Confident69 Ų6973 Ų7342%0.41838%0.38SS..Hα-helixtrans-59.9-44.8178.41740000110.9E353 S354 L361E353-V357 WeakPolarHBondContact O-CG2 3.42Å; E353-V357 PolarHBondContact O-N 3.49Å; S354-V357 PolarHBondContact O-N 2.86Å; V357-L361 HydrophobicContact CB-CD1 4.45Å; V357-L361 HydrophobicContact CG2-CD1 4.14Å; V357-L361 WeakPolarHBondContact O-CB 3.35Å; V357-L361 PolarHBondContact O-N 3.03Å
358L92.7Very high89.8Confident147 Ų14774.3 Ų74.377%0.7738%0.38SS*.Hα-helixtrans-71.3-33.7-176.9-71.4171.4000114.2S354 F356S354-L358 WeakPolarHBondContact O-CB 3.36Å; S354-L358 VanDerWaalsContact O-CG 3.26Å; S354-L358 WeakPolarHBondContact O-CG 3.46Å; S354-L358 PolarHBondContact O-N 2.82Å; F356-L358 VanDerWaalsContact C-N 3.33Å; F356-L358 PolarHBondContact O-N 3.22Å
359F90.9Very high89.7Confident94 Ų9473.4 Ų73.441%0.41237%0.372SS..Hα-helixtrans-100.5-35.2-172.6-170.6-91.9000113.2L344 F351 C355 F356 F369L344-F359 HydrophobicContact CD2-CD1 4.16Å; L344-F359 HydrophobicContact CD2-CE1 3.62Å; L344-F359 HydrophobicContact CD2-CZ 4.48Å; F351-F359 HydrophobicContact CE1-CB 3.97Å; F351-F359 HydrophobicContact CE1-CD1 4.09Å; F351-F359 HydrophobicContact CE1-CG 4.21Å; F351-F359 AromaticContact CZ-CD1 4Å; F351-F359 HydrophobicContact CZ-CD1 4Å; F351-F359 HydrophobicContact CZ-CG 4.49Å; C355-F359 WeakPolarHBondContact O-CB 3.32Å; C355-F359 PolarHBondContact O-N 3.37Å; F356-F359 PolarHBondContact O-N 2.79Å; F359-F369 HydrophobicContact CD1-CE1 4.44Å; F359-F369 HydrophobicContact CD1-CZ 4.07Å; F359-F369 HydrophobicContact CE1-CE1 4.25Å; F359-F369 AromaticContact CE1-CZ 3.96Å; F359-F369 HydrophobicContact CE1-CZ 3.96Å
360C86.7Confident89.3Confident0 Ų079.7 Ų79.70%041%0.406CS..Hα-helixtrans-100.9-21.8-172.9-60.90000113.2F356 S367 M368 F369 L371F356-C360 HydrophobicContact CD2-CB 3.69Å; F356-C360 HydrophobicContact CE2-CB 3.52Å; F356-C360 HydrophobicContact CG-CB 4.38Å; F356-C360 HydrophobicContact CZ-CB 4.1Å; F356-C360 WeakPolarHBondContact O-CA 3.48Å; F356-C360 VanDerWaalsContact O-CB 3.23Å; F356-C360 WeakPolarHBondContact O-CB 3.12Å; F356-C360 PolarHBondContact O-N 3.28Å; C360-S367 CarbonylContact O-C 3.59Å; C360-S367 WeakPolarHBondContact O-CA 3.41Å; C360-M368 PolarHBondContact O-N 3.34Å; C360-F369 HydrophobicContact CB-CZ 4.25Å; C360-L371 HydrophobicContact CB-CD2 3.76Å
361L88.7Confident88.9Confident31 Ų3178.9 Ų78.916%0.16240%0.404CS..BIsolated β-bridgetrans-110.8147.4-176-51.2-176.7000112F356 V357 K366F356-L361 HydrophobicContact CD1-CD1 4.36Å; F356-L361 HydrophobicContact CD1-CG 4.42Å; F356-L361 HydrophobicContact CE1-CD1 4.03Å; F356-L361 HydrophobicContact CE1-CD2 3.91Å; F356-L361 HydrophobicContact CE1-CG 4.01Å; F356-L361 HydrophobicContact CZ-CD2 4.07Å; V357-L361 HydrophobicContact CB-CD1 4.45Å; V357-L361 HydrophobicContact CG2-CD1 4.14Å; V357-L361 WeakPolarHBondContact O-CB 3.35Å; V357-L361 PolarHBondContact O-N 3.03Å; L361-K366 CarbonylContact C-O 3.53Å; L361-K366 WeakPolarHBondContact CA-O 3.46Å
362N88.9Confident88.5Confident65 Ų6582.9 Ų82.935%0.34843%0.428SS..  trans-86.8-179169.665.328.3000111.8N364 E365 K366 M368N362-N364 PolarHBondContact O-N 3.07Å; N362-N364 WeakPolarHBondContact OD1-CA 3.41Å; N362-N364 WeakPolarHBondContact OD1-CB 3.42Å; N362-N364 PolarHBondContact OD1-N 3.31Å; N362-E365 PolarHBondContact O-N 2.96Å; N362-E365 PolarHBondContact OD1-N 2.91Å; N362-K366 VanDerWaalsContact CG-O 3.29Å; N362-K366 PolarHBondContact N-O 2.92Å; N362-K366 PolarHBondContact OD1-N 2.79Å; N362-K366 VanDerWaalsContact OD1-N 3.1Å; N362-K366 PolarHBondContact OD1-O 2.83Å; N362-M368 HydrophobicContact CB-CG 3.95Å
363E89.7Confident87.9Confident196 Ų19685.6 Ų85.692%0.91644%0.442SS*.THydrogen-bonded Turntrans-57.6-18179.3-60178.6174.600114.6
364N87.8Confident87.4Confident128 Ų12883.3 Ų83.368%0.68443%0.433SS*.THydrogen-bonded Turntrans-102.117.3177.2-60.8-63.8000112.7N362 K366N362-N364 PolarHBondContact O-N 3.07Å; N362-N364 WeakPolarHBondContact OD1-CA 3.41Å; N362-N364 WeakPolarHBondContact OD1-CB 3.42Å; N362-N364 PolarHBondContact OD1-N 3.31Å; N364-K366 PolarHBondContact O-N 3.35Å; N364-K366 VanDerWaalsContact O-N 3.15Å
365E82.2Confident86.7Confident160 Ų16081.1 Ų81.175%0.74842%0.417SS*.SBendtrans58.922.9-177.9-56.8-175.2164.600114.4N362N362-E365 PolarHBondContact O-N 2.96Å; N362-E365 PolarHBondContact OD1-N 2.91Å
366K83.5Confident86Confident147 Ų14781.9 Ų81.964%0.63942%0.42SS*.  trans-98.3144.8174.2-64.8-172.2179.7-178.30110.6L361 N362 N364 M368L361-K366 CarbonylContact C-O 3.53Å; L361-K366 WeakPolarHBondContact CA-O 3.46Å; N362-K366 VanDerWaalsContact CG-O 3.29Å; N362-K366 PolarHBondContact N-O 2.92Å; N362-K366 PolarHBondContact OD1-N 2.79Å; N362-K366 VanDerWaalsContact OD1-N 3.1Å; N362-K366 PolarHBondContact OD1-O 2.83Å; N364-K366 PolarHBondContact O-N 3.35Å; N364-K366 VanDerWaalsContact O-N 3.15Å; K366-M368 PolarHBondContact O-N 3.11Å
367S85.2Confident85.1Confident55 Ų5583.7 Ų83.739%0.38543%0.43SS..BIsolated β-bridgetrans-54.6132.9175.2-161.70000111.2C360 F369 L371C360-S367 CarbonylContact O-C 3.59Å; C360-S367 WeakPolarHBondContact O-CA 3.41Å; S367-F369 VanDerWaalsContact C-N 3.34Å; S367-F369 WeakPolarHBondContact CB-O 3.5Å; S367-F369 PolarHBondContact OG-O 3.48Å; S367-L371 WeakPolarHBondContact OG-CD2 3.43Å; S367-L371 WeakPolarHBondContact OG-CG 3.45Å
368M85.9Confident83.8Confident120 Ų12082.1 Ų82.159%0.59142%0.419SS*.SBendtrans-77.5-22.1178-69.2-175.86300112.9C360 N362 K366C360-M368 PolarHBondContact O-N 3.34Å; N362-M368 HydrophobicContact CB-CG 3.95Å; K366-M368 PolarHBondContact O-N 3.11Å
369F87.2Confident82Confident29 Ų2975.8 Ų75.813%0.12739%0.387CS..SBendtrans-147.5168.9-179.743.6-97.4000110.4A340 H343 F359 C360 S367 L371A340-F369 HydrophobicContact CB-CD2 3.78Å; A340-F369 HydrophobicContact CB-CE2 3.55Å; H343-F369 HydrophobicContact CB-CD1 4.13Å; H343-F369 HydrophobicContact CB-CD2 3.74Å; H343-F369 HydrophobicContact CB-CE1 4.27Å; H343-F369 HydrophobicContact CB-CE2 3.88Å; H343-F369 HydrophobicContact CB-CG 3.87Å; H343-F369 HydrophobicContact CB-CZ 4.14Å; H343-F369 VanDerWaalsContact CD2-CB 3.48Å; H343-F369 WeakPolarHBondContact CD2-CB 3.21Å; H343-F369 AromaticContact CD2-CD2 3.94Å; H343-F369 AromaticContact CD2-CG 3.78Å; H343-F369 AromaticContact CG-CD2 3.83Å; H343-F369 AromaticContact CG-CG 3.58Å; H343-F369 AromaticContact ND1-CG 3.94Å; H343-F369 WeakPolarHBondContact NE2-CB 3.41Å; F359-F369 HydrophobicContact CD1-CE1 4.44Å; F359-F369 HydrophobicContact CD1-CZ 4.07Å; F359-F369 HydrophobicContact CE1-CE1 4.25Å; F359-F369 AromaticContact CE1-CZ 3.96Å; F359-F369 HydrophobicContact CE1-CZ 3.96Å; C360-F369 HydrophobicContact CB-CZ 4.25Å; S367-F369 VanDerWaalsContact C-N 3.34Å; S367-F369 WeakPolarHBondContact CB-O 3.5Å; S367-F369 PolarHBondContact OG-O 3.48Å; F369-L371 HydrophobicContact CD2-CB 4.21Å; F369-L371 HydrophobicContact CD2-CD2 4.18Å; F369-L371 HydrophobicContact CE2-CB 4.22Å; F369-L371 HydrophobicContact CE2-CD2 3.81Å; F369-L371 PolarHBondContact O-N 3.1Å
370D84Confident80.5Confident151 Ų15173.6 Ų73.681%0.80738%0.38SS*.  trans-68.7125.1175.2-72.1-24.4000109.7
371L84.5Confident78.7Confident45 Ų4577 Ų7724%0.23640%0.403CS..  trans-146155.9179.265.581.5000111.3V338 F339 A340 F356 C360 S367 F369 L373V338-L371 HydrophobicContact CG1-CB 4.3Å; V338-L371 HydrophobicContact CG1-CD2 4.4Å; F339-L371 CarbonylContact O-C 3.57Å; F339-L371 VanDerWaalsContact O-CA 3.23Å; F339-L371 WeakPolarHBondContact O-CA 3.29Å; A340-L371 HydrophobicContact CB-CB 3.87Å; F356-L371 HydrophobicContact CE2-CD1 4.37Å; F356-L371 HydrophobicContact CE2-CD2 4.11Å; F356-L371 HydrophobicContact CZ-CD1 4.5Å; C360-L371 HydrophobicContact CB-CD2 3.76Å; S367-L371 WeakPolarHBondContact OG-CD2 3.43Å; S367-L371 WeakPolarHBondContact OG-CG 3.45Å; F369-L371 HydrophobicContact CD2-CB 4.21Å; F369-L371 HydrophobicContact CD2-CD2 4.18Å; F369-L371 HydrophobicContact CE2-CB 4.22Å; F369-L371 HydrophobicContact CE2-CD2 3.81Å; F369-L371 PolarHBondContact O-N 3.1Å; L371-L373 HydrophobicContact CD1-CB 4.01Å
372V83Confident76.5Confident85 Ų8582.4 Ų82.452%0.51543%0.431SS..EExtended strand (participates in β ladder)trans-110.1126.4166.4-177.90000108.2F339 L374F339-V372 HydrophobicContact CB-CB 4.19Å; F339-V372 HydrophobicContact CD2-CB 4.33Å; F339-V372 HydrophobicContact CD2-CG1 4.47Å; F339-V372 PolarHBondContact N-O 3.35Å; F339-V372 PolarHBondContact O-N 3.06Å; V372-L374 HydrophobicContact CG1-CD2 4.45Å
373L80.9Confident75.9Confident60 Ų6083.3 Ų83.331%0.31444%0.435SS..EExtended strand (participates in β ladder)trans-109.7122.1179.7-170.271.4000109.9W336 V338 F356 L371W336-L373 HydrophobicContact CB-CD1 3.46Å; W336-L373 VanDerWaalsContact CB-CD1 3.46Å; W336-L373 HydrophobicContact CB-CG 4.3Å; W336-L373 HydrophobicContact CD2-CD1 4.15Å; W336-L373 HydrophobicContact CD2-CD2 4.13Å; W336-L373 HydrophobicContact CD2-CG 4.17Å; W336-L373 HydrophobicContact CE3-CD1 4.39Å; W336-L373 HydrophobicContact CE3-CD2 4.14Å; W336-L373 HydrophobicContact CE3-CG 4Å; W336-L373 HydrophobicContact CG-CD1 3.7Å; W336-L373 HydrophobicContact CG-CD2 4.42Å; W336-L373 HydrophobicContact CG-CG 4.24Å; V338-L373 HydrophobicContact CG2-CD1 3.76Å; F356-L373 HydrophobicContact CD2-CD1 3.99Å; F356-L373 HydrophobicContact CE1-CD2 4.22Å; F356-L373 HydrophobicContact CE2-CD1 3.52Å; F356-L373 HydrophobicContact CE2-CD2 4.42Å; F356-L373 HydrophobicContact CZ-CD1 3.87Å; F356-L373 HydrophobicContact CZ-CD2 3.9Å; F356-L373 HydrophobicContact CZ-CG 4.46Å; L371-L373 HydrophobicContact CD1-CB 4.01Å
374L80.3Confident75.2Confident54 Ų5477.3 Ų77.328%0.28341%0.41SS..EExtended strand (participates in β ladder)trans-118.9136.2170.3-57.1179.6000109.9P200 W336 I337 F339 V372 L376P200-L374 HydrophobicContact CG-CD2 4.26Å; W336-L374 CarbonylContact C-O 3.49Å; W336-L374 WeakPolarHBondContact CA-O 3.46Å; I337-L374 HydrophobicContact CB-CB 4.28Å; I337-L374 PolarHBondContact N-O 2.93Å; I337-L374 PolarHBondContact O-N 3.44Å; F339-L374 HydrophobicContact CE2-CD1 3.69Å; F339-L374 HydrophobicContact CE2-CG 4.12Å; F339-L374 HydrophobicContact CZ-CD1 4.36Å; V372-L374 HydrophobicContact CG1-CD2 4.45Å; L374-L376 PolarHBondContact O-N 3.43Å
375P80.1Confident74.5Confident31 Ų3174.5 Ų74.520%0.20140%0.395CS..EExtended strand (participates in β ladder)trans-60.8130.6168.725-30.3000109.2P200 W336 L377P200-P375 HydrophobicContact CB-CG 4.5Å; P200-P375 VanDerWaalsContact CD-CD 3.43Å; P200-P375 VanDerWaalsContact CD-CG 3.46Å; P200-P375 HydrophobicContact CG-CG 3.68Å; W336-P375 HydrophobicContact CE3-CB 3.89Å; W336-P375 HydrophobicContact CH2-CB 4.33Å; W336-P375 VanDerWaalsContact CZ3-CA 3.4Å; W336-P375 HydrophobicContact CZ3-CB 3.41Å; W336-P375 VanDerWaalsContact CZ3-CB 3.41Å; W336-P375 HydrophobicContact CZ3-CG 4.2Å; P375-L377 HydrophobicContact CB-CD1 4.4Å; P375-L377 HydrophobicContact CB-CD2 4.27Å; P375-L377 HydrophobicContact CB-CG 3.98Å; P375-L377 HydrophobicContact CG-CD1 4.28Å; P375-L377 HydrophobicContact CG-CG 4.33Å; P375-L377 PolarHBondContact O-N 3.1Å
376L80.3Confident74Confident32 Ų3269.5 Ų69.517%0.16837%0.374CS..  trans-79.297.2165.6-176.165000107.5V324 A334 K335 I337 F350 L374V324-L376 HydrophobicContact CB-CD2 3.64Å; V324-L376 HydrophobicContact CG1-CD2 3.82Å; V324-L376 HydrophobicContact CG2-CD2 4.03Å; A334-L376 HydrophobicContact CB-CD2 3.73Å; K335-L376 PolarHBondContact O-N 3.01Å; I337-L376 HydrophobicContact CD1-CD1 3.82Å; I337-L376 HydrophobicContact CG1-CB 4.02Å; I337-L376 HydrophobicContact CG1-CD1 3.89Å; F350-L376 HydrophobicContact CD1-CD1 4.28Å; F350-L376 HydrophobicContact CD1-CD2 3.97Å; F350-L376 HydrophobicContact CE1-CD1 4Å; F350-L376 HydrophobicContact CE1-CD2 4.42Å; L374-L376 PolarHBondContact O-N 3.43Å
377L72.3Confident73.5Confident58 Ų5864.6 Ų64.630%0.30436%0.357SS..  trans-100.6113.9173.1-60.3175000108.1C198 P375 C381C198-L377 HydrophobicContact CB-CD1 3.12Å; C198-L377 HydrophobicContact CB-CG 4.43Å; C198-L377 WeakPolarHBondContact O-CD1 3.38Å; P375-L377 HydrophobicContact CB-CD1 4.4Å; P375-L377 HydrophobicContact CB-CD2 4.27Å; P375-L377 HydrophobicContact CB-CG 3.98Å; P375-L377 HydrophobicContact CG-CD1 4.28Å; P375-L377 HydrophobicContact CG-CG 4.33Å; P375-L377 PolarHBondContact O-N 3.1Å; L377-C381 HydrophobicContact CD2-CB 4.49Å
378D64.5Low72.7Confident36 Ų3665.3 Ų65.319%0.19336%0.356CS..  trans-102.6174.1173.772.410.7000110.7N380 C381D378-N380 PolarHBondContact O-N 2.95Å; D378-N380 VanDerWaalsContact O-N 3.08Å; D378-N380 WeakPolarHBondContact OD1-CA 3.42Å; D378-N380 WeakPolarHBondContact OD1-CB 3.14Å; D378-N380 PolarHBondContact OD1-N 3.37Å; D378-N380 PolarHBondContact OD2-ND2 2.8Å; D378-C381 PolarHBondContact N-SG 3.37Å; D378-C381 PolarHBondContact O-N 2.76Å; D378-C381 PolarHBondContact OD1-N 3.15Å; D378-C381 PolarHBondContact OD1-SG 3.11Å
379S55.1Low71.7Confident15 Ų1561.4 Ų61.411%0.10534%0.339CS..THydrogen-bonded Turntrans-64.6-6174.851.70000114.5R319R319-S379 PolarHBondContact NH1-O 3.44Å
380N58.8Low70.5Confident47 Ų4763.8 Ų63.825%0.25136%0.355SS..THydrogen-bonded Turntrans-95.5-10.6177.9-47.1-46.8000112.5K321 T322 D378 L382K321-N380 WeakPolarHBondContact CA-OD1 3.45Å; T322-N380 PolarHBondContact N-ND2 3.36Å; T322-N380 PolarHBondContact O-ND2 2.93Å; D378-N380 PolarHBondContact O-N 2.95Å; D378-N380 VanDerWaalsContact O-N 3.08Å; D378-N380 WeakPolarHBondContact OD1-CA 3.42Å; D378-N380 WeakPolarHBondContact OD1-CB 3.14Å; D378-N380 PolarHBondContact OD1-N 3.37Å; D378-N380 PolarHBondContact OD2-ND2 2.8Å; N380-L382 PolarHBondContact O-N 2.9Å; N380-L382 VanDerWaalsContact O-N 3.16Å
381C49.8Very low69.4Low72 Ų7256.6 Ų56.649%0.48632%0.317SS..  trans-69.5-1.4176.4-62.30000114.3L377 D378L377-C381 HydrophobicContact CD2-CB 4.49Å; D378-C381 PolarHBondContact N-SG 3.37Å; D378-C381 PolarHBondContact O-N 2.76Å; D378-C381 PolarHBondContact OD1-N 3.15Å; D378-C381 PolarHBondContact OD1-SG 3.11Å
382L43.3Very low68Low144 Ų14457.6 Ų57.675%0.75433%0.325SS*.  trans-120.90169.4-67.9-177.6000110.3F193 R319 N380F193-L382 HydrophobicContact CB-CD1 4.01Å; F193-L382 HydrophobicContact CD1-CD1 4.43Å; F193-L382 HydrophobicContact CD2-CD1 3.11Å; F193-L382 HydrophobicContact CD2-CG 3.95Å; F193-L382 HydrophobicContact CE2-CD1 3.52Å; F193-L382 HydrophobicContact CE2-CG 3.82Å; F193-L382 HydrophobicContact CG-CD1 3.59Å; F193-L382 HydrophobicContact CZ-CD1 4.35Å; F193-L382 HydrophobicContact CZ-CG 4.42Å; R319-L382 PolarHBondContact NH1-OXT 2.98Å; R319-L382 PolarHBondContact NH2-OXT 3.11Å; N380-L382 PolarHBondContact O-N 2.9Å; N380-L382 VanDerWaalsContact O-N 3.16Å

Retrieved 382 of 382 residues in 107 ms (Link to these results)

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