A0A077Z6M2_TRITR Loading...

Kelch 1 and Kelch 4 and Kelch 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z6M2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 370 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M86.9Confident90.5Very high61 Ų6131.8 Ų31.830%0.320%0.195SC..  0139.60-63.5-176.6-97.500108.3F250 L260 V262 Y263 L319 E320 F321M1-F250 HydrophobicContact CE-CE1 4.17Å; M1-F250 HydrophobicContact SD-CE1 4.05Å; M1-L260 HydrophobicContact CE-CB 4.24Å; M1-L260 HydrophobicContact CE-CD1 3.61Å; M1-L260 HydrophobicContact CE-CD2 3.87Å; M1-L260 HydrophobicContact CE-CG 4.11Å; M1-V262 HydrophobicContact CB-CG1 4.05Å; M1-V262 HydrophobicContact CB-CG2 4.35Å; M1-Y263 PolarHBondContact O-N 3.26Å; M1-L319 HydrophobicContact CB-CD1 4.09Å; M1-E320 CarbonylContact C-O 3.58Å; M1-E320 VanDerWaalsContact CA-O 3.28Å; M1-E320 WeakPolarHBondContact CA-O 3.21Å; M1-F321 HydrophobicContact CG-CB 4.47Å; M1-F321 HydrophobicContact CG-CD1 3.78Å; M1-F321 HydrophobicContact CG-CE1 4.41Å; M1-F321 HydrophobicContact CG-CG 4.42Å; M1-F321 HydrophobicContact SD-CD1 3.45Å; M1-F321 WeakPolarHBondContact SD-CD1 3.35Å; M1-F321 HydrophobicContact SD-CE1 3.52Å; M1-F321 VanDerWaalsContact SD-CE1 3.52Å
2H90Very high90.6Very high24 Ų2439.8 Ų39.811%0.11122%0.219CC..EExtended strand (participates in β ladder)trans-139.6133.2-177.2-155.2-59.4000110T4 Y263 G264 E320 P323H2-T4 HydrophobicContact CB-CG2 3.9Å; H2-T4 PolarHBondContact O-N 2.82Å; H2-Y263 CarbonylContact C-O 3.51Å; H2-Y263 WeakPolarHBondContact CA-O 3.46Å; H2-Y263 WeakPolarHBondContact CD2-CB 3.43Å; H2-Y263 PolarHBondContact ND1-O 3.16Å; H2-G264 VanDerWaalsContact CE1-CA 3.49Å; H2-G264 WeakPolarHBondContact CE1-CA 3.21Å; H2-E320 PolarHBondContact N-O 2.82Å; H2-E320 PolarHBondContact O-N 2.82Å; H2-P323 HydrophobicContact CB-CG 3.73Å
3W90Very high90.8Very high10 Ų1039 Ų394%0.03821%0.211CC..EExtended strand (participates in β ladder)trans-74.7111.4161.2-70.3108.5000107.4F252 V262 Y263 N265 C266 P267 M284 Y317 L319 S358W3-F252 HydrophobicContact CH2-CD2 4.31Å; W3-F252 HydrophobicContact CH2-CE2 4.08Å; W3-F252 HydrophobicContact CZ2-CD2 4.02Å; W3-F252 AromaticContact CZ2-CE2 3.67Å; W3-F252 HydrophobicContact CZ2-CE2 3.67Å; W3-V262 VanDerWaalsContact CD1-CG1 3.44Å; W3-V262 HydrophobicContact CG-CG1 4.2Å; W3-Y263 PolarHBondContact N-O 3.24Å; W3-N265 VanDerWaalsContact CB-O 3.3Å; W3-N265 WeakPolarHBondContact CB-O 3.49Å; W3-C266 HydrophobicContact CG-CB 4.4Å; W3-P267 HydrophobicContact CD2-CG 4.48Å; W3-P267 VanDerWaalsContact CE2-CD 3.5Å; W3-P267 HydrophobicContact CE3-CG 4.36Å; W3-P267 HydrophobicContact CH2-CG 3.88Å; W3-P267 HydrophobicContact CZ2-CG 4.03Å; W3-P267 HydrophobicContact CZ3-CG 4.05Å; W3-M284 HydrophobicContact CH2-CB 4.44Å; W3-M284 HydrophobicContact CH2-SD 4.44Å; W3-M284 HydrophobicContact CZ3-CB 4.49Å; W3-Y317 HydrophobicContact CE3-CD1 4.32Å; W3-Y317 HydrophobicContact CE3-CG 4.45Å; W3-L319 HydrophobicContact CD2-CB 4.21Å; W3-L319 HydrophobicContact CD2-CD1 4.12Å; W3-L319 HydrophobicContact CE3-CB 3.74Å; W3-L319 HydrophobicContact CE3-CD1 4.48Å; W3-L319 HydrophobicContact CG-CD1 4.43Å; W3-L319 HydrophobicContact CH2-CB 3.83Å; W3-L319 HydrophobicContact CH2-CD2 4.43Å; W3-L319 HydrophobicContact CZ2-CB 4.25Å; W3-L319 HydrophobicContact CZ2-CD1 4.46Å; W3-L319 HydrophobicContact CZ2-CD2 4.31Å; W3-L319 HydrophobicContact CZ3-CB 3.55Å; W3-S358 PolarHBondContact O-OG 3.2Å
4T90.8Very high90.9Very high2 Ų236.8 Ų36.81%0.01220%0.199CC..EExtended strand (participates in β ladder)trans-105.4-43.8-164.548.50000112.2H2 V318 E320 T327 L357 S358H2-T4 HydrophobicContact CB-CG2 3.9Å; H2-T4 PolarHBondContact O-N 2.82Å; T4-V318 PolarHBondContact N-O 2.87Å; T4-V318 PolarHBondContact OG1-O 2.91Å; T4-V318 VanDerWaalsContact OG1-O 3.08Å; T4-E320 HydrophobicContact CG2-CB 3.99Å; T4-E320 HydrophobicContact CG2-CG 3.92Å; T4-E320 WeakPolarHBondContact OG1-CG 3.17Å; T4-T327 HydrophobicContact CG2-CG2 3.57Å; T4-L357 CarbonylContact O-C 3.58Å; T4-L357 VanDerWaalsContact O-CA 3.31Å; T4-L357 WeakPolarHBondContact O-CA 3.44Å; T4-L357 VanDerWaalsContact O-CD2 3.3Å; T4-L357 WeakPolarHBondContact O-CD2 3.16Å; T4-S358 PolarHBondContact O-N 3.22Å
5F90.3Very high91.1Very high7 Ų735.7 Ų35.73%0.03119%0.193CC..EExtended strand (participates in β ladder)trans-124145.7-177.2-57.6-80.7000111.2I7 Y53 Y317 V318 E320 T327 M330 L356 L357F5-I7 HydrophobicContact CB-CD1 3.79Å; F5-Y53 HydrophobicContact CB-CE1 4.27Å; F5-Y53 AromaticContact CD2-CE1 4Å; F5-Y53 HydrophobicContact CD2-CE1 4Å; F5-Y53 WeakPolarHBondContact CD2-OH 3.49Å; F5-Y53 WeakPolarHBondContact CE2-OH 3.36Å; F5-Y53 HydrophobicContact CG-CE1 4.09Å; F5-Y317 WeakPolarHBondContact O-CA 3.41Å; F5-V318 HydrophobicContact CB-CB 4.12Å; F5-V318 HydrophobicContact CB-CG2 4.18Å; F5-V318 HydrophobicContact CD2-CB 4.2Å; F5-V318 HydrophobicContact CD2-CG1 4.41Å; F5-V318 PolarHBondContact O-N 3.39Å; F5-E320 WeakPolarHBondContact CE2-OE1 3.42Å; F5-T327 HydrophobicContact CE2-CG2 4.49Å; F5-M330 HydrophobicContact CE1-CE 4.26Å; F5-M330 HydrophobicContact CZ-CE 3.98Å; F5-L356 CarbonylContact C-O 3.55Å; F5-L356 WeakPolarHBondContact CA-O 3.47Å; F5-L356 WeakPolarHBondContact CB-O 3.39Å; F5-L356 HydrophobicContact CD1-CB 3.76Å; F5-L356 HydrophobicContact CE1-CB 4.42Å; F5-L357 HydrophobicContact CD1-CD2 4.22Å; F5-L357 HydrophobicContact CE1-CD2 3.93Å; F5-L357 HydrophobicContact CZ-CD2 4.48Å
6C92.2Very high91.4Very high26 Ų2634.2 Ų34.218%0.17618%0.184CC..EExtended strand (participates in β ladder)trans-131.6116.2170.6-172.30000108.2L316 Y317 L356C6-L316 CarbonylContact C-O 3.6Å; C6-L316 WeakPolarHBondContact CA-O 3.1Å; C6-Y317 HydrophobicContact CB-CD1 4.27Å; C6-Y317 HydrophobicContact CB-CE1 4.07Å; C6-Y317 VanDerWaalsContact SG-CZ 3.52Å; C6-L356 PolarHBondContact N-O 2.78Å
7I92Very high91.8Very high13 Ų1332.6 Ų32.67%0.06718%0.177CC..EExtended strand (participates in β ladder)trans-115.4119.4-175.6-58.794.5000108.2F5 Y53 D315 L316 V318 L356F5-I7 HydrophobicContact CB-CD1 3.79Å; I7-Y53 HydrophobicContact CD1-CD1 3.59Å; I7-Y53 HydrophobicContact CD1-CE1 4.18Å; I7-Y53 HydrophobicContact CG1-CD1 4.14Å; I7-D315 CarbonylContact O-C 3.48Å; I7-D315 WeakPolarHBondContact O-CA 3.21Å; I7-L316 HydrophobicContact CB-CB 4.38Å; I7-L316 HydrophobicContact CD1-CD2 3.64Å; I7-L316 PolarHBondContact N-O 3.1Å; I7-L316 PolarHBondContact O-N 2.93Å; I7-V318 HydrophobicContact CD1-CG2 4.31Å; I7-L356 HydrophobicContact CG1-CD2 4.07Å
8E90.8Very high92.2Very high123 Ų12331.9 Ų31.958%0.57518%0.177SC*.  trans-89162.4178.6-66.2-60.5156.400112.2
9G87.3Confident92.5Very high65 Ų6530.9 Ų30.967%0.6717%0.171SC*.SBendtrans80.316.9172.500000115.3S314G9-S314 PolarHBondContact N-O 3.47Å
10G92.1Very high92.8Very high11 Ų1131 Ų3111%0.11318%0.176CC..  trans-72.1-178.1168.400000113.4R12 W55 S314G10-R12 PolarHBondContact O-N 3.05Å; G10-W55 VanDerWaalsContact CA-CD1 3.5Å; G10-S314 VanDerWaalsContact CA-O 3.3Å; G10-S314 WeakPolarHBondContact CA-O 3.25Å; G10-S314 PolarHBondContact N-O 3.47Å; G10-S314 WeakPolarHBondContact O-CB 3.16Å
11P92.7Very high93.1Very high8 Ų830 Ų305%0.05217%0.17CC..  trans-65.1119.8178.326.8-32.8000110.9R13 H46 W55P11-R13 HydrophobicContact CB-CG 3.97Å; P11-R13 PolarHBondContact O-N 3.12Å; P11-R13 VanDerWaalsContact O-N 3.1Å; P11-H46 HydrophobicContact CB-CB 4.34Å; P11-H46 HydrophobicContact CG-CB 4.05Å; P11-W55 VanDerWaalsContact CD-CE2 3.44Å; P11-W55 HydrophobicContact CG-CD2 4.31Å; P11-W55 HydrophobicContact CG-CE3 4.13Å; P11-W55 HydrophobicContact CG-CH2 3.93Å; P11-W55 HydrophobicContact CG-CZ2 4.11Å; P11-W55 HydrophobicContact CG-CZ3 3.94Å
12R92.3Very high93.5Very high127 Ų12733.1 Ų33.148%0.47919%0.188SC..  trans-77.393170.9-168.7174.167.8-131.6-3109G10 C32 D312G10-R12 PolarHBondContact O-N 3.05Å; R12-C32 PolarHBondContact O-SG 3.49Å; R12-D312 HydrophobicContact CG-CB 3.4Å
13R92.5Very high93.8Very high30 Ų3033.4 Ų33.411%0.11320%0.197CC..  trans-137.1143.3-174.8-63.4-70.1178.7-85.50.7111.7P11 H16 G29 Y31 D44 G287P11-R13 HydrophobicContact CB-CG 3.97Å; P11-R13 PolarHBondContact O-N 3.12Å; P11-R13 VanDerWaalsContact O-N 3.1Å; R13-H16 HydrophobicContact CB-CB 4.02Å; R13-H16 WeakPolarHBondContact CB-ND1 3.43Å; R13-H16 PolarHBondContact O-CE1 3.05Å; R13-H16 PolarHBondContact O-ND1 2.77Å; R13-H16 VanDerWaalsContact O-ND1 3.12Å; R13-G29 WeakPolarHBondContact CD-O 3.14Å; R13-Y31 CarbonylContact C-O 3.46Å; R13-Y31 WeakPolarHBondContact CA-O 3.36Å; R13-D44 IonicContact CZ-OD2 3.78Å; R13-D44 VanDerWaalsContact CZ-OD2 3.31Å; R13-D44 IonicContact NE-OD1 2.69Å; R13-D44 IonicContact NE-OD2 3.84Å; R13-D44 PolarHBondContact NE-OD2 3.02Å; R13-D44 VanDerWaalsContact NE-OD2 3.12Å; R13-D44 IonicContact NH2-OD2 3.47Å; R13-D44 PolarHBondContact NH2-OD2 3.42Å; R13-G287 PolarHBondContact O-N 2.79Å
14V92.2Very high94.2Very high8 Ų835.2 Ų35.25%0.04821%0.207CC..BIsolated β-bridgetrans-122.6143.4173.3-47.30000110.4H16 G30 Y31 R272 T288 D312V14-H16 PolarHBondContact O-N 2.65Å; V14-H16 VanDerWaalsContact O-N 3.13Å; V14-G30 WeakPolarHBondContact O-CA 3.24Å; V14-Y31 WeakPolarHBondContact CG2-O 3.49Å; V14-Y31 PolarHBondContact N-O 2.96Å; V14-Y31 PolarHBondContact O-N 2.99Å; V14-R272 HydrophobicContact CB-CB 3.77Å; V14-R272 HydrophobicContact CB-CG 4.43Å; V14-T288 HydrophobicContact CG1-CG2 4.44Å; V14-D312 HydrophobicContact CG1-CB 4.36Å; V14-D312 WeakPolarHBondContact CG1-OD1 3.25Å
15N94.2Very high94.5Very high20 Ų2035.1 Ų35.111%0.10721%0.207CC..SBendtrans55.729.4179.9-73.6-26.5000112.7Y76 G77 R272N15-Y76 HydrophobicContact CB-CD2 4.49Å; N15-Y76 HydrophobicContact CB-CG 4.49Å; N15-G77 PolarHBondContact O-N 3.34Å; N15-R272 PolarHBondContact N-O 2.89Å; N15-R272 VanDerWaalsContact N-O 3.08Å; N15-R272 WeakPolarHBondContact OD1-CB 3.3Å; N15-R272 WeakPolarHBondContact OD1-CG 3.3Å
16H96.7Very high94.9Very high12 Ų1235.3 Ų35.36%0.05621%0.207CC..  trans-81.4166.8169.263.7-81.2000109.4R13 V14 S27 G29 C274 F285R13-H16 HydrophobicContact CB-CB 4.02Å; R13-H16 WeakPolarHBondContact CB-ND1 3.43Å; R13-H16 PolarHBondContact O-CE1 3.05Å; R13-H16 PolarHBondContact O-ND1 2.77Å; R13-H16 VanDerWaalsContact O-ND1 3.12Å; V14-H16 PolarHBondContact O-N 2.65Å; V14-H16 VanDerWaalsContact O-N 3.13Å; H16-S27 PolarHBondContact CD2-OG 3.28Å; H16-S27 VanDerWaalsContact CD2-OG 3.25Å; H16-G29 VanDerWaalsContact CB-O 3.22Å; H16-G29 WeakPolarHBondContact CB-O 3.39Å; H16-C274 PolarHBondContact CD2-SG 2.83Å; H16-C274 WeakPolarHBondContact NE2-CB 3.38Å; H16-C274 PolarHBondContact NE2-SG 3.29Å; H16-C274 PolarHBondContact O-SG 3.08Å; H16-F285 AromaticContact CD2-CE2 3.83Å; H16-F285 AromaticContact NE2-CD2 3.61Å; H16-F285 AromaticContact NE2-CE2 3.21Å; H16-F285 WeakPolarHBondContact NE2-CE2 3.38Å; H16-F285 AromaticContact NE2-CZ 3.98Å
17A98.3Very high95.2Very high8 Ų834.1 Ų34.17%0.06620%0.199CC..EExtended strand (participates in β ladder)trans-117.5151.817400000110S27 F28 A80A17-S27 WeakPolarHBondContact O-CA 3.47Å; A17-F28 PolarHBondContact N-O 3Å; A17-F28 VanDerWaalsContact N-O 3.15Å; A17-F28 PolarHBondContact O-N 3.47Å; A17-A80 HydrophobicContact CB-CB 3.65Å
18A98.5Very high95.5Very high20 Ų2033.5 Ų33.517%0.16520%0.196CC..EExtended strand (participates in β ladder)trans-147.8149.117800000112.8I25 Y26 C274 V276 F285A18-I25 HydrophobicContact CB-CG2 4.18Å; A18-Y26 CarbonylContact C-O 3.57Å; A18-Y26 WeakPolarHBondContact CA-O 3.33Å; A18-Y26 WeakPolarHBondContact CB-O 3.42Å; A18-C274 HydrophobicContact CB-CB 4.04Å; A18-V276 HydrophobicContact CB-CG2 3.79Å; A18-F285 HydrophobicContact CB-CE1 4.38Å; A18-F285 HydrophobicContact CB-CZ 3.61Å
19V98.4Very high95.8Very high12 Ų1227.7 Ų27.77%0.07317%0.169CC..EExtended strand (participates in β ladder)trans-139155.1176.5-62.20000111I25 Y26 F28 A80 A82 C87V19-I25 WeakPolarHBondContact O-CA 3.49Å; V19-Y26 PolarHBondContact N-O 3.5Å; V19-Y26 PolarHBondContact O-N 3.22Å; V19-F28 HydrophobicContact CG2-CE2 4.08Å; V19-A80 VanDerWaalsContact CG1-C 3.46Å; V19-A80 HydrophobicContact CG1-CB 3.81Å; V19-A80 VanDerWaalsContact CG1-O 3.28Å; V19-A80 WeakPolarHBondContact CG1-O 3.3Å; V19-A82 HydrophobicContact CB-CB 4.17Å; V19-A82 HydrophobicContact CG2-CB 4.37Å; V19-C87 HydrophobicContact CG2-CB 4.2Å; V19-C87 WeakPolarHBondContact CG2-SG 3.43Å
20A98.3Very high96.1Very high32 Ų3224.6 Ų24.626%0.26414%0.137SC..EExtended strand (participates in β ladder)trans-103133.2174.100000111.3L24 V276 I278A20-L24 CarbonylContact C-O 3.59Å; A20-L24 VanDerWaalsContact CA-O 3.27Å; A20-L24 WeakPolarHBondContact CA-O 3.4Å; A20-V276 HydrophobicContact CB-CG1 3.62Å; A20-I278 HydrophobicContact CB-CD1 3.56Å; A20-I278 HydrophobicContact CB-CG1 3.5Å; A20-I278 VanDerWaalsContact CB-CG1 3.5Å
21I98.1Very high96Very high11 Ų1124.6 Ų24.66%0.05613%0.134CC..EExtended strand (participates in β ladder)trans-139.5126.6171.6-63.2-176.7000107.6G23 L24 Y26 A82 C87 P108I21-G23 VanDerWaalsContact C-N 3.3Å; I21-G23 PolarHBondContact O-N 3.11Å; I21-L24 PolarHBondContact N-O 3.07Å; I21-L24 PolarHBondContact O-N 3.41Å; I21-Y26 HydrophobicContact CB-CD2 4.45Å; I21-Y26 HydrophobicContact CB-CE2 4.07Å; I21-A82 HydrophobicContact CD1-CB 3.87Å; I21-A82 HydrophobicContact CG1-CB 3.74Å; I21-C87 WeakPolarHBondContact CD1-SG 3.39Å; I21-P108 HydrophobicContact CD1-CG 3.94Å
22N95.7Very high95.6Very high127 Ų12724.9 Ų24.968%0.67914%0.136SC*.THydrogen-bonded Turntrans51.741.5172.5-60.9-38.8000115L24 D85N22-L24 VanDerWaalsContact C-N 3.25Å; N22-L24 PolarHBondContact O-N 2.91Å; N22-D85 PolarHBondContact ND2-OD1 2.87Å
23G96Very high94.7Very high29 Ų2920.5 Ų20.530%0.29913%0.125SC..THydrogen-bonded Turntrans78.44.3178.800000114.7I21 T50I21-G23 VanDerWaalsContact C-N 3.3Å; I21-G23 PolarHBondContact O-N 3.11Å; G23-T50 WeakPolarHBondContact O-CB 3.45Å; G23-T50 VanDerWaalsContact O-CG2 3.23Å; G23-T50 WeakPolarHBondContact O-CG2 3.37Å; G23-T50 PolarHBondContact O-N 3.39Å; G23-T50 PolarHBondContact O-OG1 2.95Å
24L98.3Very high93.7Very high48 Ų4822.7 Ų22.725%0.25116%0.157SC..EExtended strand (participates in β ladder)trans-109.1147.1172.5-58.3178.7000109.6A20 I21 N22 Y26 I47 F48 D49A20-L24 CarbonylContact C-O 3.59Å; A20-L24 VanDerWaalsContact CA-O 3.27Å; A20-L24 WeakPolarHBondContact CA-O 3.4Å; I21-L24 PolarHBondContact N-O 3.07Å; I21-L24 PolarHBondContact O-N 3.41Å; N22-L24 VanDerWaalsContact C-N 3.25Å; N22-L24 PolarHBondContact O-N 2.91Å; L24-Y26 HydrophobicContact CB-CE2 3.67Å; L24-Y26 VanDerWaalsContact CD1-OH 3.25Å; L24-Y26 WeakPolarHBondContact CD1-OH 3.45Å; L24-I47 HydrophobicContact CB-CG2 4.19Å; L24-I47 HydrophobicContact CD1-CG2 4.3Å; L24-F48 CarbonylContact C-O 3.5Å; L24-F48 WeakPolarHBondContact CA-O 3.45Å; L24-D49 HydrophobicContact CD2-CB 3.74Å
25I98.6Very high92.8Very high0 Ų025.6 Ų25.60%017%0.17CC..EExtended strand (participates in β ladder)trans-108.7126.8171.9-59169.5000108.3A18 V19 I47 F48 T50 V276 I278 F283 F285A18-I25 HydrophobicContact CB-CG2 4.18Å; V19-I25 WeakPolarHBondContact O-CA 3.49Å; I25-I47 CarbonylContact O-C 3.56Å; I25-I47 VanDerWaalsContact O-CA 3.3Å; I25-I47 WeakPolarHBondContact O-CA 3.3Å; I25-F48 HydrophobicContact CB-CB 4.18Å; I25-F48 HydrophobicContact CD1-CD1 4.14Å; I25-F48 PolarHBondContact N-O 2.8Å; I25-F48 PolarHBondContact O-N 3.02Å; I25-T50 HydrophobicContact CD1-CG2 4.06Å; I25-T50 HydrophobicContact CG1-CG2 4.11Å; I25-V276 HydrophobicContact CD1-CB 4.16Å; I25-V276 HydrophobicContact CD1-CG1 4.34Å; I25-V276 HydrophobicContact CG1-CB 4.47Å; I25-V276 HydrophobicContact CG1-CG1 4.16Å; I25-V276 HydrophobicContact CG2-CB 4.38Å; I25-V276 HydrophobicContact CG2-CG1 4.36Å; I25-V276 HydrophobicContact CG2-CG2 3.99Å; I25-I278 HydrophobicContact CD1-CD1 3.92Å; I25-I278 HydrophobicContact CG1-CD1 3.57Å; I25-F283 HydrophobicContact CD1-CB 3.47Å; I25-F283 VanDerWaalsContact CD1-CB 3.47Å; I25-F283 HydrophobicContact CD1-CD1 4.15Å; I25-F283 HydrophobicContact CD1-CD2 3.78Å; I25-F283 HydrophobicContact CD1-CG 3.53Å; I25-F285 HydrophobicContact CG2-CE1 4Å; I25-F285 HydrophobicContact CG2-CZ 4.04Å
26Y98.6Very high91.5Very high11 Ų1129.3 Ų29.34%0.04319%0.19CC..EExtended strand (participates in β ladder)trans-105.3122.2176.3-60.4-96.8000108.4A18 V19 I21 L24 F28 V45 H46 I47 F106 P108A18-Y26 CarbonylContact C-O 3.57Å; A18-Y26 WeakPolarHBondContact CA-O 3.33Å; A18-Y26 WeakPolarHBondContact CB-O 3.42Å; V19-Y26 PolarHBondContact N-O 3.5Å; V19-Y26 PolarHBondContact O-N 3.22Å; I21-Y26 HydrophobicContact CB-CD2 4.45Å; I21-Y26 HydrophobicContact CB-CE2 4.07Å; L24-Y26 HydrophobicContact CB-CE2 3.67Å; L24-Y26 VanDerWaalsContact CD1-OH 3.25Å; L24-Y26 WeakPolarHBondContact CD1-OH 3.45Å; Y26-F28 VanDerWaalsContact CB-CZ 3.47Å; Y26-F28 HydrophobicContact CG-CZ 4.38Å; Y26-V45 HydrophobicContact CD1-CG1 4.43Å; Y26-H46 CarbonylContact C-O 3.57Å; Y26-H46 WeakPolarHBondContact CA-O 3.45Å; Y26-I47 HydrophobicContact CD1-CD1 4.15Å; Y26-I47 HydrophobicContact CD1-CG1 3.79Å; Y26-I47 HydrophobicContact CD1-CG2 4.34Å; Y26-I47 HydrophobicContact CE1-CD1 3.75Å; Y26-I47 HydrophobicContact CE1-CG1 3.84Å; Y26-I47 HydrophobicContact CE1-CG2 3.99Å; Y26-F106 AromaticContact CD1-CE1 3.78Å; Y26-F106 HydrophobicContact CD1-CE1 3.78Å; Y26-F106 HydrophobicContact CE1-CE1 4.01Å; Y26-P108 HydrophobicContact CE1-CB 3.98Å; Y26-P108 HydrophobicContact CE2-CB 4.23Å; Y26-P108 HydrophobicContact CE2-CG 4.41Å; Y26-P108 WeakPolarHBondContact OH-CB 3.35Å
27S98.4Very high90.1Very high1 Ų129.5 Ų29.51%0.00719%0.193CC..EExtended strand (participates in β ladder)trans-112.8134.1178.7178.40000109.9H16 A17 V45 H46H16-S27 PolarHBondContact CD2-OG 3.28Å; H16-S27 VanDerWaalsContact CD2-OG 3.25Å; A17-S27 WeakPolarHBondContact O-CA 3.47Å; S27-V45 WeakPolarHBondContact O-CA 3.35Å; S27-H46 PolarHBondContact N-O 2.91Å; S27-H46 PolarHBondContact O-N 2.98Å
28F98.4Very high88.9Confident0 Ų034.8 Ų34.80%022%0.216CC..EExtended strand (participates in β ladder)trans-130.3125.4-167.3-58.8-77.5000111.3A17 V19 Y26 M43 V45 H78 A80 C87 I89 F106 W113A17-F28 PolarHBondContact N-O 3Å; A17-F28 VanDerWaalsContact N-O 3.15Å; A17-F28 PolarHBondContact O-N 3.47Å; V19-F28 HydrophobicContact CG2-CE2 4.08Å; Y26-F28 VanDerWaalsContact CB-CZ 3.47Å; Y26-F28 HydrophobicContact CG-CZ 4.38Å; F28-M43 HydrophobicContact CB-SD 3.76Å; F28-V45 HydrophobicContact CD1-CB 4.5Å; F28-V45 HydrophobicContact CD1-CG1 4.16Å; F28-V45 HydrophobicContact CD1-CG2 3.92Å; F28-V45 HydrophobicContact CE1-CB 4.45Å; F28-V45 HydrophobicContact CE1-CG1 3.76Å; F28-V45 HydrophobicContact CE1-CG2 3.95Å; F28-H78 PolarHBondContact O-CE1 2.74Å; F28-H78 VanDerWaalsContact O-CE1 3.3Å; F28-H78 PolarHBondContact O-NE2 3.39Å; F28-A80 HydrophobicContact CD2-CB 4.11Å; F28-A80 HydrophobicContact CE2-CB 4.5Å; F28-C87 HydrophobicContact CE2-CB 4.09Å; F28-C87 HydrophobicContact CZ-CB 3.79Å; F28-I89 HydrophobicContact CB-CD1 3.47Å; F28-I89 VanDerWaalsContact CB-CD1 3.47Å; F28-I89 HydrophobicContact CD1-CD1 3.66Å; F28-I89 HydrophobicContact CD2-CD1 3.8Å; F28-I89 HydrophobicContact CE1-CD1 4.28Å; F28-I89 HydrophobicContact CE2-CD1 4.39Å; F28-I89 HydrophobicContact CG-CD1 3.38Å; F28-F106 HydrophobicContact CE1-CB 4.34Å; F28-F106 HydrophobicContact CE1-CD1 4Å; F28-F106 HydrophobicContact CE1-CE1 4.46Å; F28-F106 HydrophobicContact CE1-CG 4.1Å; F28-F106 AromaticContact CZ-CD1 3.99Å; F28-F106 HydrophobicContact CZ-CD1 3.99Å; F28-F106 HydrophobicContact CZ-CG 4.42Å; F28-W113 AromaticContact CD1-CH2 3.7Å; F28-W113 HydrophobicContact CD1-CH2 3.7Å; F28-W113 AromaticContact CD1-CZ2 3.75Å; F28-W113 HydrophobicContact CD1-CZ2 3.75Å; F28-W113 AromaticContact CE1-CH2 3.69Å; F28-W113 HydrophobicContact CE1-CH2 3.69Å; F28-W113 AromaticContact CE1-CZ2 3.75Å; F28-W113 HydrophobicContact CE1-CZ2 3.75Å
29G95.9Very high87.9Confident1 Ų135.6 Ų35.61%0.0122%0.219CC..  trans67.4-14916900000114.1R13 H16 D44 Q74R13-G29 WeakPolarHBondContact CD-O 3.14Å; H16-G29 VanDerWaalsContact CB-O 3.22Å; H16-G29 WeakPolarHBondContact CB-O 3.39Å; G29-D44 PolarHBondContact N-O 3.02Å; G29-Q74 VanDerWaalsContact CA-NE2 3.29Å
30G94.1Very high87.2Confident0 Ų040.5 Ų40.50%024%0.243CC..  trans73.7175.3-16900000112.2V14 Q74 R75V14-G30 WeakPolarHBondContact O-CA 3.24Å; G30-Q74 PolarHBondContact O-NE2 3.19Å; G30-R75 WeakPolarHBondContact CA-O 3.31Å; G30-R75 PolarHBondContact N-O 3.36Å
31Y89.9Confident86.8Confident11 Ų1143.4 Ų43.44%0.04325%0.248CC..BIsolated β-bridgetrans-131.1168.3-178.5-65.2-88.1000110.8R13 V14 E35 T39 Q74 Y76 N94R13-Y31 CarbonylContact C-O 3.46Å; R13-Y31 WeakPolarHBondContact CA-O 3.36Å; V14-Y31 WeakPolarHBondContact CG2-O 3.49Å; V14-Y31 PolarHBondContact N-O 2.96Å; V14-Y31 PolarHBondContact O-N 2.99Å; Y31-E35 HydrophobicContact CD1-CG 4.39Å; Y31-T39 HydrophobicContact CE1-CG2 4.07Å; Y31-Q74 HydrophobicContact CD1-CG 4.19Å; Y31-Q74 HydrophobicContact CE1-CB 4.3Å; Y31-Q74 HydrophobicContact CE1-CG 3.56Å; Y31-Q74 PolarHBondContact OH-O 2.84Å; Y31-Y76 AromaticContact CD2-CD1 3.72Å; Y31-Y76 HydrophobicContact CD2-CD1 3.72Å; Y31-Y76 HydrophobicContact CD2-CG 4.35Å; Y31-Y76 AromaticContact CE2-CD1 3.6Å; Y31-Y76 HydrophobicContact CE2-CD1 3.6Å; Y31-Y76 HydrophobicContact CE2-CG 4.38Å; Y31-N94 WeakPolarHBondContact OH-CB 3.45Å
32C84.8Confident86.7Confident15 Ų1543.3 Ų43.310%0.10125%0.248CC..  trans-81.9144.6153.9-50.60000109.5R12 G34 E35 D312R12-C32 PolarHBondContact O-SG 3.49Å; C32-G34 PolarHBondContact O-N 2.94Å; C32-E35 HydrophobicContact CB-CB 4.07Å; C32-E35 PolarHBondContact N-OE2 2.95Å; C32-E35 WeakPolarHBondContact O-CB 3.37Å; C32-E35 PolarHBondContact O-N 3.38Å; C32-D312 VanDerWaalsContact CA-OD2 3.28Å; C32-D312 WeakPolarHBondContact CA-OD2 3.25Å
33S73.1Confident86.7Confident35 Ų3537.4 Ų37.425%0.24522%0.216CC..THydrogen-bonded Turntrans-51.4123.1161.9-58.30000109D312S33-D312 WeakPolarHBondContact CB-OD1 3.4Å; S33-D312 WeakPolarHBondContact CB-OD2 3.44Å; S33-D312 PolarHBondContact N-OD2 2.84Å; S33-D312 VanDerWaalsContact OG-CG 3.31Å; S33-D312 PolarHBondContact OG-OD1 2.75Å; S33-D312 PolarHBondContact OG-OD2 2.8Å
34G70.1Confident86.6Confident76 Ų7636.1 Ų36.178%0.78420%0.202SC*.THydrogen-bonded Turntrans84.9-5.4-175.100000115.8C32C32-G34 PolarHBondContact O-N 2.94Å
35E73.4Confident86.6Confident69 Ų6934.1 Ų34.132%0.32219%0.192SC..SBendtrans-71.9143.4168.3-171.3171.2-173.100110Y31 C32 S37 R41Y31-E35 HydrophobicContact CD1-CG 4.39Å; C32-E35 HydrophobicContact CB-CB 4.07Å; C32-E35 PolarHBondContact N-OE2 2.95Å; C32-E35 WeakPolarHBondContact O-CB 3.37Å; C32-E35 PolarHBondContact O-N 3.38Å; E35-S37 PolarHBondContact O-N 3.23Å; E35-R41 IonicContact OE1-NH1 3.23Å
36N68Low86.6Confident98 Ų9835 Ų3552%0.52420%0.196SC..  trans-69.3110.4179.6-167.25.3000110.4E38N36-E38 PolarHBondContact O-N 3.35Å; N36-E38 WeakPolarHBondContact OD1-CA 3.31Å; N36-E38 WeakPolarHBondContact OD1-CB 3.44Å; N36-E38 WeakPolarHBondContact OD1-CG 3.16Å; N36-E38 PolarHBondContact OD1-N 2.88Å
37S67.3Low86.6Confident16 Ų1635.5 Ų35.511%0.11220%0.199CC..SBendtrans-71.1-16.4172.9143.90000111.6E35 T39 D95E35-S37 PolarHBondContact O-N 3.23Å; S37-T39 PolarHBondContact O-N 3.5Å; S37-D95 WeakPolarHBondContact CB-OD2 3.38Å; S37-D95 PolarHBondContact OG-N 3.44Å; S37-D95 PolarHBondContact OG-OD2 3.4Å
38E73Confident86.6Confident118 Ų11835.5 Ų35.555%0.55120%0.199SC*.  trans-77.569.3172.5-54.3176166.300112N36 D95 I96N36-E38 PolarHBondContact O-N 3.35Å; N36-E38 WeakPolarHBondContact OD1-CA 3.31Å; N36-E38 WeakPolarHBondContact OD1-CB 3.44Å; N36-E38 WeakPolarHBondContact OD1-CG 3.16Å; N36-E38 PolarHBondContact OD1-N 2.88Å; E38-D95 HydrophobicContact CG-CB 4Å; E38-I96 VanDerWaalsContact CA-CG1 3.48Å; E38-I96 HydrophobicContact CB-CD1 4.01Å; E38-I96 HydrophobicContact CB-CG1 3.66Å; E38-I96 HydrophobicContact CG-CD1 4.45Å; E38-I96 HydrophobicContact CG-CG1 4.3Å
39T77.1Confident86.5Confident38 Ų3837.6 Ų37.623%0.23321%0.211CC..  trans-139.1138.8-179.5-171.60000112.6Y31 S37 R41 Q74 N94Y31-T39 HydrophobicContact CE1-CG2 4.07Å; S37-T39 PolarHBondContact O-N 3.5Å; T39-R41 VanDerWaalsContact C-N 3.26Å; T39-R41 HydrophobicContact CG2-CB 4.14Å; T39-R41 WeakPolarHBondContact OG1-CB 3.49Å; T39-R41 PolarHBondContact OG1-N 2.89Å; T39-R41 VanDerWaalsContact OG1-N 3.14Å; T39-Q74 HydrophobicContact CG2-CB 4.22Å; T39-N94 PolarHBondContact O-ND2 3.28Å
40I82.8Confident86.5Confident114 Ų11438.8 Ų38.859%0.58522%0.217SC*.  trans-90.612.2169.460.9168.9000112.3I96I40-I96 HydrophobicContact CG2-CG2 3.9Å
41R90.8Very high86.5Confident94 Ų9443.2 Ų43.236%0.35525%0.249SC..PPolyproline II helixtrans-59.5140.6-177.3-178.5-175.8174.8-173.9-2.7110.6E35 T39 L60 Y73 Q74E35-R41 IonicContact OE1-NH1 3.23Å; T39-R41 VanDerWaalsContact C-N 3.26Å; T39-R41 HydrophobicContact CG2-CB 4.14Å; T39-R41 WeakPolarHBondContact OG1-CB 3.49Å; T39-R41 PolarHBondContact OG1-N 2.89Å; T39-R41 VanDerWaalsContact OG1-N 3.14Å; R41-L60 HydrophobicContact CG-CD1 4.15Å; R41-L60 VanDerWaalsContact NH2-CD1 3.3Å; R41-Y73 CarbonylContact O-C 3.49Å; R41-Y73 WeakPolarHBondContact O-CA 3.22Å; R41-Q74 PolarHBondContact O-N 2.95Å
42P95Very high86.6Confident9 Ų946 Ų466%0.05827%0.267CS..BIsolated β-bridgetrans-61.9145.2170.8-21.132.3000112.1D44 L60 P61 F68 T71P42-D44 PolarHBondContact O-N 3.16Å; P42-L60 HydrophobicContact CB-CD2 4.41Å; P42-P61 HydrophobicContact CB-CG 4.12Å; P42-P61 HydrophobicContact CG-CG 4.16Å; P42-F68 HydrophobicContact CG-CD2 3.43Å; P42-F68 VanDerWaalsContact CG-CD2 3.43Å; P42-F68 HydrophobicContact CG-CE2 3.46Å; P42-F68 VanDerWaalsContact CG-CE2 3.46Å; P42-F68 HydrophobicContact CG-CG 4.25Å; P42-F68 HydrophobicContact CG-CZ 4.28Å; P42-T71 HydrophobicContact CB-CG2 3.68Å
43M96.3Very high86.9Confident2 Ų246.5 Ų46.51%0.0127%0.267CS..PPolyproline II helixtrans-59.7130.2178.3-178.8174-72.200111.1F28 T71 P72 Q74 R75 I89 W113F28-M43 HydrophobicContact CB-SD 3.76Å; M43-T71 HydrophobicContact CB-CG2 4.23Å; M43-P72 WeakPolarHBondContact CA-O 3.5Å; M43-P72 HydrophobicContact CB-CB 4.37Å; M43-P72 HydrophobicContact CB-CG 4.41Å; M43-P72 WeakPolarHBondContact CB-O 3.49Å; M43-P72 HydrophobicContact CE-CB 4.16Å; M43-P72 HydrophobicContact CE-CG 4.46Å; M43-P72 PolarHBondContact N-O 3.38Å; M43-P72 HydrophobicContact SD-CB 4.47Å; M43-P72 HydrophobicContact SD-CG 4.17Å; M43-Q74 VanDerWaalsContact CA-OE1 3.26Å; M43-R75 HydrophobicContact CE-CG 3.67Å; M43-I89 HydrophobicContact SD-CD1 3.83Å; M43-W113 HydrophobicContact SD-CH2 4.5Å
44D95.3Very high88Confident2 Ų252.9 Ų52.91%0.01129%0.285CS..PPolyproline II helixtrans-79.2149.1172.759.6-5.2000112.9R13 G29 P42 H46 L60 Q74R13-D44 IonicContact CZ-OD2 3.78Å; R13-D44 VanDerWaalsContact CZ-OD2 3.31Å; R13-D44 IonicContact NE-OD1 2.69Å; R13-D44 IonicContact NE-OD2 3.84Å; R13-D44 PolarHBondContact NE-OD2 3.02Å; R13-D44 VanDerWaalsContact NE-OD2 3.12Å; R13-D44 IonicContact NH2-OD2 3.47Å; R13-D44 PolarHBondContact NH2-OD2 3.42Å; G29-D44 PolarHBondContact N-O 3.02Å; P42-D44 PolarHBondContact O-N 3.16Å; D44-H46 IonicContact OD2-CE1 2.74Å; D44-H46 PolarHBondContact OD2-CE1 3.05Å; D44-H46 VanDerWaalsContact OD2-CE1 3.26Å; D44-H46 IonicContact OD2-ND1 2.96Å; D44-L60 HydrophobicContact CB-CD2 4.24Å; D44-Q74 VanDerWaalsContact N-OE1 3.07Å; D44-Q74 PolarHBondContact OD1-NE2 3.37Å; D44-Q74 PolarHBondContact OD1-OE1 2.8Å
45V97.9Very high89.2Confident6 Ų651.6 Ų51.64%0.03626%0.257CS..EExtended strand (participates in β ladder)trans-123116.6177.5-1740000108.9Y26 S27 F28 I47 L58 F106 W113Y26-V45 HydrophobicContact CD1-CG1 4.43Å; S27-V45 WeakPolarHBondContact O-CA 3.35Å; F28-V45 HydrophobicContact CD1-CB 4.5Å; F28-V45 HydrophobicContact CD1-CG1 4.16Å; F28-V45 HydrophobicContact CD1-CG2 3.92Å; F28-V45 HydrophobicContact CE1-CB 4.45Å; F28-V45 HydrophobicContact CE1-CG1 3.76Å; F28-V45 HydrophobicContact CE1-CG2 3.95Å; V45-I47 HydrophobicContact CG1-CG1 4.27Å; V45-L58 HydrophobicContact CB-CB 4.35Å; V45-L58 HydrophobicContact CB-CD1 4.09Å; V45-L58 HydrophobicContact CB-CG 4.34Å; V45-L58 HydrophobicContact CG1-CD1 4.11Å; V45-L58 PolarHBondContact O-N 3.14Å; V45-F106 HydrophobicContact CG1-CE1 4.23Å; V45-F106 HydrophobicContact CG1-CE2 4.43Å; V45-F106 HydrophobicContact CG1-CZ 3.94Å; V45-F106 HydrophobicContact CG2-CE2 4.12Å; V45-F106 HydrophobicContact CG2-CZ 4.45Å; V45-W113 HydrophobicContact CG2-CZ2 3.74Å
46H98Very high90.3Very high20 Ų2053.2 Ų53.29%0.09327%0.267CS..EExtended strand (participates in β ladder)trans-105.4133172.1-66.378.9000109.5P11 Y26 S27 D44 W55 L56 C57P11-H46 HydrophobicContact CB-CB 4.34Å; P11-H46 HydrophobicContact CG-CB 4.05Å; Y26-H46 CarbonylContact C-O 3.57Å; Y26-H46 WeakPolarHBondContact CA-O 3.45Å; S27-H46 PolarHBondContact N-O 2.91Å; S27-H46 PolarHBondContact O-N 2.98Å; D44-H46 IonicContact OD2-CE1 2.74Å; D44-H46 PolarHBondContact OD2-CE1 3.05Å; D44-H46 VanDerWaalsContact OD2-CE1 3.26Å; D44-H46 IonicContact OD2-ND1 2.96Å; H46-W55 HydrophobicContact CB-CE3 3.86Å; H46-W55 HydrophobicContact CB-CZ3 3.84Å; H46-L56 CarbonylContact C-O 3.51Å; H46-L56 WeakPolarHBondContact CA-O 3.37Å; H46-C57 PolarHBondContact NE2-SG 3.29Å
47I98.3Very high91.7Very high21 Ų2151.8 Ų51.811%0.10826%0.264CS..EExtended strand (participates in β ladder)trans-116.4122.5-178.3-50.6176.4000107.7L24 I25 Y26 V45 W55 L56 L58L24-I47 HydrophobicContact CB-CG2 4.19Å; L24-I47 HydrophobicContact CD1-CG2 4.3Å; I25-I47 CarbonylContact O-C 3.56Å; I25-I47 VanDerWaalsContact O-CA 3.3Å; I25-I47 WeakPolarHBondContact O-CA 3.3Å; Y26-I47 HydrophobicContact CD1-CD1 4.15Å; Y26-I47 HydrophobicContact CD1-CG1 3.79Å; Y26-I47 HydrophobicContact CD1-CG2 4.34Å; Y26-I47 HydrophobicContact CE1-CD1 3.75Å; Y26-I47 HydrophobicContact CE1-CG1 3.84Å; Y26-I47 HydrophobicContact CE1-CG2 3.99Å; V45-I47 HydrophobicContact CG1-CG1 4.27Å; I47-W55 CarbonylContact O-C 3.6Å; I47-W55 WeakPolarHBondContact O-CA 3.48Å; I47-L56 HydrophobicContact CB-CB 4.42Å; I47-L56 HydrophobicContact CD1-CD2 4.47Å; I47-L56 PolarHBondContact N-O 2.9Å; I47-L56 PolarHBondContact O-N 3.15Å; I47-L58 HydrophobicContact CD1-CD1 3.98Å; I47-L58 HydrophobicContact CD1-CD2 3.81Å; I47-L58 HydrophobicContact CD1-CG 3.85Å; I47-L58 HydrophobicContact CG1-CG 4.43Å
48F98.4Very high93.1Very high0 Ų052.9 Ų52.90%027%0.269CS..EExtended strand (participates in β ladder)trans-103.9125.2171.6-175.7-105.2000110.2L24 I25 T50 Y53 R54 W55 F283 L316L24-F48 CarbonylContact C-O 3.5Å; L24-F48 WeakPolarHBondContact CA-O 3.45Å; I25-F48 HydrophobicContact CB-CB 4.18Å; I25-F48 HydrophobicContact CD1-CD1 4.14Å; I25-F48 PolarHBondContact N-O 2.8Å; I25-F48 PolarHBondContact O-N 3.02Å; F48-T50 HydrophobicContact CD1-CG2 3.96Å; F48-T50 HydrophobicContact CE1-CG2 4.18Å; F48-Y53 HydrophobicContact CE1-CD1 4.45Å; F48-Y53 VanDerWaalsContact CE2-C 3.42Å; F48-Y53 AromaticContact CZ-CD1 3.83Å; F48-Y53 HydrophobicContact CZ-CD1 3.83Å; F48-Y53 HydrophobicContact CZ-CG 4.24Å; F48-R54 WeakPolarHBondContact CA-O 3.35Å; F48-W55 HydrophobicContact CB-CD2 3.81Å; F48-W55 HydrophobicContact CB-CE3 3.59Å; F48-W55 HydrophobicContact CB-CH2 3.67Å; F48-W55 HydrophobicContact CB-CZ2 3.88Å; F48-W55 HydrophobicContact CB-CZ3 3.53Å; F48-W55 AromaticContact CD2-CD1 3.71Å; F48-W55 AromaticContact CD2-CD2 3.65Å; F48-W55 HydrophobicContact CD2-CD2 3.65Å; F48-W55 AromaticContact CD2-CE2 3.43Å; F48-W55 VanDerWaalsContact CD2-CE2 3.43Å; F48-W55 HydrophobicContact CD2-CE3 4.34Å; F48-W55 AromaticContact CD2-CG 3.85Å; F48-W55 HydrophobicContact CD2-CG 3.85Å; F48-W55 AromaticContact CD2-CZ2 3.99Å; F48-W55 HydrophobicContact CD2-CZ2 3.99Å; F48-W55 AromaticContact CD2-NE1 3.45Å; F48-W55 AromaticContact CE2-NE1 3.83Å; F48-W55 HydrophobicContact CG-CD2 4.19Å; F48-W55 AromaticContact CG-CE2 3.98Å; F48-W55 HydrophobicContact CG-CE3 4.45Å; F48-W55 HydrophobicContact CG-CH2 4.39Å; F48-W55 HydrophobicContact CG-CZ2 4.11Å; F48-F283 HydrophobicContact CD1-CD1 4.28Å; F48-F283 AromaticContact CE1-CD1 3.66Å; F48-F283 HydrophobicContact CE1-CD1 3.66Å; F48-F283 AromaticContact CE1-CE1 3.71Å; F48-F283 HydrophobicContact CE1-CE1 3.71Å; F48-L316 HydrophobicContact CD1-CD1 4.09Å; F48-L316 HydrophobicContact CD2-CD1 4.11Å; F48-L316 HydrophobicContact CE1-CD1 3.98Å; F48-L316 HydrophobicContact CE1-CD2 4.31Å; F48-L316 HydrophobicContact CE2-CD1 3.99Å; F48-L316 HydrophobicContact CG-CD1 4.13Å; F48-L316 HydrophobicContact CZ-CD1 3.91Å; F48-L316 HydrophobicContact CZ-CD2 3.96Å
49D97.3Very high94.2Very high45 Ų4552.9 Ų52.924%0.24128%0.279CS..EExtended strand (participates in β ladder)trans-88.7114.2172178.1-14.5000109.9L24 S51 T52 Y53 R54L24-D49 HydrophobicContact CD2-CB 3.74Å; D49-S51 PolarHBondContact O-N 3.09Å; D49-S51 WeakPolarHBondContact OD1-CA 3.47Å; D49-S51 WeakPolarHBondContact OD1-CB 3.28Å; D49-S51 PolarHBondContact OD1-N 2.62Å; D49-S51 PolarHBondContact OD1-OG 3.13Å; D49-T52 VanDerWaalsContact CB-OG1 3.32Å; D49-T52 WeakPolarHBondContact CB-OG1 3.06Å; D49-T52 PolarHBondContact O-N 3.38Å; D49-T52 PolarHBondContact OD1-N 2.99Å; D49-T52 VanDerWaalsContact OD2-CG2 3.31Å; D49-T52 WeakPolarHBondContact OD2-CG2 3.4Å; D49-T52 PolarHBondContact OD2-OG1 3.34Å; D49-Y53 VanDerWaalsContact O-CA 3.26Å; D49-Y53 WeakPolarHBondContact O-CA 3.42Å; D49-Y53 PolarHBondContact O-N 3.41Å; D49-R54 PolarHBondContact N-O 2.95Å
50T95.7Very high95Very high25 Ų2554.1 Ų54.115%0.15328%0.284CS..THydrogen-bonded Turntrans-75.1-10.4-175.466.60000114G23 I25 F48 I278 F283G23-T50 WeakPolarHBondContact O-CB 3.45Å; G23-T50 VanDerWaalsContact O-CG2 3.23Å; G23-T50 WeakPolarHBondContact O-CG2 3.37Å; G23-T50 PolarHBondContact O-N 3.39Å; G23-T50 PolarHBondContact O-OG1 2.95Å; I25-T50 HydrophobicContact CD1-CG2 4.06Å; I25-T50 HydrophobicContact CG1-CG2 4.11Å; F48-T50 HydrophobicContact CD1-CG2 3.96Å; F48-T50 HydrophobicContact CE1-CG2 4.18Å; T50-I278 HydrophobicContact CG2-CD1 3.65Å; T50-F283 HydrophobicContact CG2-CD1 4.47Å; T50-F283 HydrophobicContact CG2-CD2 4.45Å; T50-F283 HydrophobicContact CG2-CE1 3.95Å; T50-F283 HydrophobicContact CG2-CE2 3.91Å; T50-F283 HydrophobicContact CG2-CZ 3.64Å
51S92.9Very high95.6Very high94 Ų9450.1 Ų50.166%0.65727%0.265SS*.THydrogen-bonded Turntrans-91.7-36.5175.475.20000112.1D49D49-S51 PolarHBondContact O-N 3.09Å; D49-S51 WeakPolarHBondContact OD1-CA 3.47Å; D49-S51 WeakPolarHBondContact OD1-CB 3.28Å; D49-S51 PolarHBondContact OD1-N 2.62Å; D49-S51 PolarHBondContact OD1-OG 3.13Å
52T92.1Very high95.8Very high70 Ų7048.7 Ų48.743%0.42927%0.27SS..THydrogen-bonded Turntrans-99.9-10-179.366.90000113.5D49 R54D49-T52 VanDerWaalsContact CB-OG1 3.32Å; D49-T52 WeakPolarHBondContact CB-OG1 3.06Å; D49-T52 PolarHBondContact O-N 3.38Å; D49-T52 PolarHBondContact OD1-N 2.99Å; D49-T52 VanDerWaalsContact OD2-CG2 3.31Å; D49-T52 WeakPolarHBondContact OD2-CG2 3.4Å; D49-T52 PolarHBondContact OD2-OG1 3.34Å; T52-R54 PolarHBondContact O-N 3.4Å
53Y92.9Very high95.7Very high24 Ų2451 Ų519%0.09429%0.29CS..THydrogen-bonded Turntrans56.435.2-176.1-67.9-98.6000113.2F5 I7 F48 D49 K281 F283 V318 L356F5-Y53 HydrophobicContact CB-CE1 4.27Å; F5-Y53 AromaticContact CD2-CE1 4Å; F5-Y53 HydrophobicContact CD2-CE1 4Å; F5-Y53 WeakPolarHBondContact CD2-OH 3.49Å; F5-Y53 WeakPolarHBondContact CE2-OH 3.36Å; F5-Y53 HydrophobicContact CG-CE1 4.09Å; I7-Y53 HydrophobicContact CD1-CD1 3.59Å; I7-Y53 HydrophobicContact CD1-CE1 4.18Å; I7-Y53 HydrophobicContact CG1-CD1 4.14Å; F48-Y53 HydrophobicContact CE1-CD1 4.45Å; F48-Y53 VanDerWaalsContact CE2-C 3.42Å; F48-Y53 AromaticContact CZ-CD1 3.83Å; F48-Y53 HydrophobicContact CZ-CD1 3.83Å; F48-Y53 HydrophobicContact CZ-CG 4.24Å; D49-Y53 VanDerWaalsContact O-CA 3.26Å; D49-Y53 WeakPolarHBondContact O-CA 3.42Å; D49-Y53 PolarHBondContact O-N 3.41Å; Y53-K281 PolarHBondContact OH-NZ 3.05Å; Y53-F283 HydrophobicContact CE1-CE1 4.38Å; Y53-V318 HydrophobicContact CE1-CG2 3.93Å; Y53-L356 HydrophobicContact CD2-CD1 4.43Å; Y53-L356 HydrophobicContact CG-CD1 4.19Å
54R94.3Very high95.6Very high169 Ų16957.3 Ų57.364%0.63833%0.329SS*.EExtended strand (participates in β ladder)trans-118.1141.4-177.4-69.4178.6-179.6-172.7-1111.5F48 D49 T52F48-R54 WeakPolarHBondContact CA-O 3.35Å; D49-R54 PolarHBondContact N-O 2.95Å; T52-R54 PolarHBondContact O-N 3.4Å
55W96.9Very high95.6Very high50 Ų5062.1 Ų62.119%0.18935%0.35CS..EExtended strand (participates in β ladder)trans-90143.7169.9-71.8101.3000111G10 P11 H46 I47 F48 F285 L316G10-W55 VanDerWaalsContact CA-CD1 3.5Å; P11-W55 VanDerWaalsContact CD-CE2 3.44Å; P11-W55 HydrophobicContact CG-CD2 4.31Å; P11-W55 HydrophobicContact CG-CE3 4.13Å; P11-W55 HydrophobicContact CG-CH2 3.93Å; P11-W55 HydrophobicContact CG-CZ2 4.11Å; P11-W55 HydrophobicContact CG-CZ3 3.94Å; H46-W55 HydrophobicContact CB-CE3 3.86Å; H46-W55 HydrophobicContact CB-CZ3 3.84Å; I47-W55 CarbonylContact O-C 3.6Å; I47-W55 WeakPolarHBondContact O-CA 3.48Å; F48-W55 HydrophobicContact CB-CD2 3.81Å; F48-W55 HydrophobicContact CB-CE3 3.59Å; F48-W55 HydrophobicContact CB-CH2 3.67Å; F48-W55 HydrophobicContact CB-CZ2 3.88Å; F48-W55 HydrophobicContact CB-CZ3 3.53Å; F48-W55 AromaticContact CD2-CD1 3.71Å; F48-W55 AromaticContact CD2-CD2 3.65Å; F48-W55 HydrophobicContact CD2-CD2 3.65Å; F48-W55 AromaticContact CD2-CE2 3.43Å; F48-W55 VanDerWaalsContact CD2-CE2 3.43Å; F48-W55 HydrophobicContact CD2-CE3 4.34Å; F48-W55 AromaticContact CD2-CG 3.85Å; F48-W55 HydrophobicContact CD2-CG 3.85Å; F48-W55 AromaticContact CD2-CZ2 3.99Å; F48-W55 HydrophobicContact CD2-CZ2 3.99Å; F48-W55 AromaticContact CD2-NE1 3.45Å; F48-W55 AromaticContact CE2-NE1 3.83Å; F48-W55 HydrophobicContact CG-CD2 4.19Å; F48-W55 AromaticContact CG-CE2 3.98Å; F48-W55 HydrophobicContact CG-CE3 4.45Å; F48-W55 HydrophobicContact CG-CH2 4.39Å; F48-W55 HydrophobicContact CG-CZ2 4.11Å; W55-F285 HydrophobicContact CH2-CD1 4.34Å; W55-F285 AromaticContact CH2-CD2 3.79Å; W55-F285 HydrophobicContact CH2-CD2 3.79Å; W55-F285 HydrophobicContact CH2-CE1 4.24Å; W55-F285 AromaticContact CH2-CE2 3.66Å; W55-F285 HydrophobicContact CH2-CE2 3.66Å; W55-F285 HydrophobicContact CH2-CG 4.13Å; W55-F285 AromaticContact CH2-CZ 3.89Å; W55-F285 HydrophobicContact CH2-CZ 3.89Å; W55-F285 HydrophobicContact CZ2-CB 4.37Å; W55-F285 HydrophobicContact CZ2-CD1 4.33Å; W55-F285 AromaticContact CZ2-CD2 3.93Å; W55-F285 HydrophobicContact CZ2-CD2 3.93Å; W55-F285 HydrophobicContact CZ2-CE2 4.28Å; W55-F285 AromaticContact CZ2-CG 3.95Å; W55-F285 HydrophobicContact CZ2-CG 3.95Å; W55-L316 HydrophobicContact CZ2-CD1 3.59Å
56L96.8Very high95.5Very high103 Ų10368.5 Ų68.554%0.53938%0.38SS..EExtended strand (participates in β ladder)trans-124.8132.9166.617365.8000107.8H46 I47 L58H46-L56 CarbonylContact C-O 3.51Å; H46-L56 WeakPolarHBondContact CA-O 3.37Å; I47-L56 HydrophobicContact CB-CB 4.42Å; I47-L56 HydrophobicContact CD1-CD2 4.47Å; I47-L56 PolarHBondContact N-O 2.9Å; I47-L56 PolarHBondContact O-N 3.15Å; L56-L58 HydrophobicContact CD2-CD2 4.11Å; L56-L58 HydrophobicContact CG-CD2 4.44Å
57C96.5Very high95.4Very high68 Ų6868.7 Ų68.746%0.45938%0.381SS..EExtended strand (participates in β ladder)trans-102.6124.2169.4-171.50000108H46H46-C57 PolarHBondContact NE2-SG 3.29Å
58L97.1Very high95.3Very high39 Ų3969.9 Ų69.920%0.20439%0.386CS..PPolyproline II helixtrans-71.7144.1176.4-66.2-171.7000110.8V45 I47 L56 F106V45-L58 HydrophobicContact CB-CB 4.35Å; V45-L58 HydrophobicContact CB-CD1 4.09Å; V45-L58 HydrophobicContact CB-CG 4.34Å; V45-L58 HydrophobicContact CG1-CD1 4.11Å; V45-L58 PolarHBondContact O-N 3.14Å; I47-L58 HydrophobicContact CD1-CD1 3.98Å; I47-L58 HydrophobicContact CD1-CD2 3.81Å; I47-L58 HydrophobicContact CD1-CG 3.85Å; I47-L58 HydrophobicContact CG1-CG 4.43Å; L56-L58 HydrophobicContact CD2-CD2 4.11Å; L56-L58 HydrophobicContact CG-CD2 4.44Å; L58-F106 HydrophobicContact CD1-CE2 4.17Å; L58-F106 HydrophobicContact CD1-CZ 3.73Å
59P95.6Very high95.2Very high118 Ų11877.6 Ų77.677%0.76642%0.416SS*.PPolyproline II helixtrans-64.1140.4175.528.1-34.1000110.4
60L94.8Very high95.1Very high63 Ų6377.1 Ų77.133%0.3341%0.413SS..PPolyproline II helixtrans-75.6144.4174.5-67.7178.7000110.9R41 P42 D44R41-L60 HydrophobicContact CG-CD1 4.15Å; R41-L60 VanDerWaalsContact NH2-CD1 3.3Å; P42-L60 HydrophobicContact CB-CD2 4.41Å; D44-L60 HydrophobicContact CB-CD2 4.24Å
61P95Very high95.2Very high31 Ų3176.4 Ų76.420%0.20141%0.409CS..PPolyproline II helixtrans-66.3143.4174.528.5-34.4000110.9P42 Q67 F68P42-P61 HydrophobicContact CB-CG 4.12Å; P42-P61 HydrophobicContact CG-CG 4.16Å; P61-Q67 HydrophobicContact CB-CB 3.9Å; P61-Q67 HydrophobicContact CG-CB 4.36Å; P61-F68 HydrophobicContact CB-CB 4.42Å; P61-F68 HydrophobicContact CG-CB 4.46Å
62S94.1Very high95.4Very high64 Ų6472 Ų7245%0.44838%0.378SS..PPolyproline II helixtrans-71.8153171.164.20000110.7T64 H65 F68S62-T64 PolarHBondContact O-N 3.45Å; S62-T64 PolarHBondContact OG-OG1 3.37Å; S62-H65 WeakPolarHBondContact O-CB 3.32Å; S62-H65 PolarHBondContact O-N 2.72Å; S62-F68 WeakPolarHBondContact O-CB 3.31Å
63A92.8Very high95.6Very high58 Ų5870.3 Ų70.348%0.47936%0.364SS..THydrogen-bonded Turntrans-59.2-15.9177.600000114.5F68A63-F68 HydrophobicContact CB-CD2 4.19Å; A63-F68 HydrophobicContact CB-CE2 4.08Å; A63-F68 HydrophobicContact CB-CG 4.48Å; A63-F68 HydrophobicContact CB-CZ 4.29Å
64T94.4Very high95.7Very high134 Ų13469.2 Ų69.282%0.82236%0.36SS*.THydrogen-bonded Turntrans-87.9-11.5176.154.10000113.8S62S62-T64 PolarHBondContact O-N 3.45Å; S62-T64 PolarHBondContact OG-OG1 3.37Å
65H95.4Very high95.8Very high102 Ų10261.4 Ų61.447%0.47233%0.33SS..SBendtrans-97.5138.8-176.9-167-76.2000110.4S62 Q67 F68S62-H65 WeakPolarHBondContact O-CB 3.32Å; S62-H65 PolarHBondContact O-N 2.72Å; H65-Q67 WeakPolarHBondContact ND1-CB 3.35Å; H65-Q67 PolarHBondContact ND1-N 3.32Å; H65-Q67 PolarHBondContact O-N 3Å; H65-Q67 VanDerWaalsContact O-N 3.15Å; H65-F68 WeakPolarHBondContact O-CB 3.23Å; H65-F68 PolarHBondContact O-N 3.47Å
66E96.1Very high95.7Very high140 Ų14061.5 Ų61.565%0.65433%0.331SS*.THydrogen-bonded Turntrans-53.5-40.4-177.1-175.1-175.9172.300113.2F68 Y69 L70E66-F68 PolarHBondContact O-N 3.23Å; E66-Y69 PolarHBondContact O-N 2.88Å; E66-L70 HydrophobicContact CG-CD1 4.01Å; E66-L70 HydrophobicContact CG-CG 4.42Å; E66-L70 PolarHBondContact O-N 3.27Å
67Q97.1Very high95.7Very high24 Ų2456.9 Ų56.911%0.11231%0.308CS..Hα-helixtrans-53.7-23175.2-72.2-68.5-47.500114.4P61 H65 Y69 L70 T71 L112 W113P61-Q67 HydrophobicContact CB-CB 3.9Å; P61-Q67 HydrophobicContact CG-CB 4.36Å; H65-Q67 WeakPolarHBondContact ND1-CB 3.35Å; H65-Q67 PolarHBondContact ND1-N 3.32Å; H65-Q67 PolarHBondContact O-N 3Å; H65-Q67 VanDerWaalsContact O-N 3.15Å; Q67-Y69 PolarHBondContact O-N 2.97Å; Q67-L70 PolarHBondContact O-N 3.49Å; Q67-T71 VanDerWaalsContact O-CB 3.23Å; Q67-T71 WeakPolarHBondContact O-CB 3.26Å; Q67-T71 PolarHBondContact O-N 3.06Å; Q67-T71 PolarHBondContact O-OG1 2.95Å; Q67-L112 HydrophobicContact CG-CD2 4.01Å; Q67-W113 PolarHBondContact NE2-O 3.37Å; Q67-W113 PolarHBondContact OE1-O 3.35Å
68F96Very high95.8Very high47 Ų4754.1 Ų54.121%0.20629%0.288CS..Hα-helixtrans-57.6-39.8173.3-175.4-91000112.3P42 P61 S62 A63 H65 E66P42-F68 HydrophobicContact CG-CD2 3.43Å; P42-F68 VanDerWaalsContact CG-CD2 3.43Å; P42-F68 HydrophobicContact CG-CE2 3.46Å; P42-F68 VanDerWaalsContact CG-CE2 3.46Å; P42-F68 HydrophobicContact CG-CG 4.25Å; P42-F68 HydrophobicContact CG-CZ 4.28Å; P61-F68 HydrophobicContact CB-CB 4.42Å; P61-F68 HydrophobicContact CG-CB 4.46Å; S62-F68 WeakPolarHBondContact O-CB 3.31Å; A63-F68 HydrophobicContact CB-CD2 4.19Å; A63-F68 HydrophobicContact CB-CE2 4.08Å; A63-F68 HydrophobicContact CB-CG 4.48Å; A63-F68 HydrophobicContact CB-CZ 4.29Å; H65-F68 WeakPolarHBondContact O-CB 3.23Å; H65-F68 PolarHBondContact O-N 3.47Å; E66-F68 PolarHBondContact O-N 3.23Å
69Y94.6Very high95.9Very high161 Ų16153 Ų5363%0.63128%0.284SS*.Hα-helixtrans-87.3-22.6-178.9-56.4-76.1000113.1E66 Q67 Q115E66-Y69 PolarHBondContact O-N 2.88Å; Q67-Y69 PolarHBondContact O-N 2.97Å; Y69-Q115 PolarHBondContact O-NE2 2.85Å
70L96.9Very high96Very high36 Ų3648.2 Ų48.219%0.18825%0.254CS..Hα-helixtrans-85.2-23.6176.4-61.6176.3000112.8E66 Q67 H104 W113E66-L70 HydrophobicContact CG-CD1 4.01Å; E66-L70 HydrophobicContact CG-CG 4.42Å; E66-L70 PolarHBondContact O-N 3.27Å; Q67-L70 PolarHBondContact O-N 3.49Å; L70-H104 PolarHBondContact O-CD2 3.14Å; L70-W113 HydrophobicContact CB-CB 4.42Å; L70-W113 WeakPolarHBondContact O-CB 3.47Å
71T97.6Very high96.2Very high10 Ų1045.6 Ų45.66%0.06124%0.241CC..SBendtrans-75.5131.6175.8-58.20000108.7P42 M43 Q67 Y73 W113P42-T71 HydrophobicContact CB-CG2 3.68Å; M43-T71 HydrophobicContact CB-CG2 4.23Å; Q67-T71 VanDerWaalsContact O-CB 3.23Å; Q67-T71 WeakPolarHBondContact O-CB 3.26Å; Q67-T71 PolarHBondContact O-N 3.06Å; Q67-T71 PolarHBondContact O-OG1 2.95Å; T71-Y73 PolarHBondContact O-N 2.99Å; T71-W113 HydrophobicContact CG2-CG 4.33Å
72P97.2Very high96.4Very high1 Ų146 Ų461%0.00625%0.246CC..PPolyproline II helixtrans-56.9143174.4-3.16.1000110.1M43 H104 W113M43-P72 WeakPolarHBondContact CA-O 3.5Å; M43-P72 HydrophobicContact CB-CB 4.37Å; M43-P72 HydrophobicContact CB-CG 4.41Å; M43-P72 WeakPolarHBondContact CB-O 3.49Å; M43-P72 HydrophobicContact CE-CB 4.16Å; M43-P72 HydrophobicContact CE-CG 4.46Å; M43-P72 PolarHBondContact N-O 3.38Å; M43-P72 HydrophobicContact SD-CB 4.47Å; M43-P72 HydrophobicContact SD-CG 4.17Å; P72-H104 HydrophobicContact CG-CB 3.81Å; P72-W113 HydrophobicContact CG-CD2 4.36Å; P72-W113 HydrophobicContact CG-CE3 3.96Å; P72-W113 HydrophobicContact CG-CH2 4.16Å; P72-W113 HydrophobicContact CG-CZ2 4.49Å; P72-W113 HydrophobicContact CG-CZ3 3.84Å
73Y95.2Very high96.6Very high35 Ų3544.1 Ų44.114%0.13723%0.229CC..BIsolated β-bridgetrans-59.2148.8166.761.2-98.9000110.8R41 T71 R75 N94 N97 G98 C100R41-Y73 CarbonylContact O-C 3.49Å; R41-Y73 WeakPolarHBondContact O-CA 3.22Å; T71-Y73 PolarHBondContact O-N 2.99Å; Y73-R75 HydrophobicContact CD2-CB 4.07Å; Y73-R75 VanDerWaalsContact CE1-CZ 3.49Å; Y73-R75 HydrophobicContact CE2-CB 3.83Å; Y73-R75 VanDerWaalsContact CE2-CZ 3.45Å; Y73-R75 VanDerWaalsContact CZ-NH2 3.26Å; Y73-R75 PolarHBondContact O-N 2.97Å; Y73-R75 PolarHBondContact O-NE 3.17Å; Y73-R75 PolarHBondContact O-NH2 2.62Å; Y73-R75 VanDerWaalsContact O-NH2 3.15Å; Y73-R75 PolarHBondContact OH-NH1 3.45Å; Y73-N94 HydrophobicContact CD2-CB 4.36Å; Y73-N94 WeakPolarHBondContact CD2-ND2 3.46Å; Y73-N94 HydrophobicContact CE2-CB 4.19Å; Y73-N97 HydrophobicContact CD1-CB 3.92Å; Y73-N97 HydrophobicContact CD2-CB 4.15Å; Y73-N97 HydrophobicContact CE1-CB 3.52Å; Y73-N97 HydrophobicContact CE2-CB 3.78Å; Y73-N97 HydrophobicContact CG-CB 4.25Å; Y73-N97 VanDerWaalsContact CZ-CB 3.45Å; Y73-G98 PolarHBondContact OH-O 3Å; Y73-C100 WeakPolarHBondContact OH-CB 3.29Å
74Q95.2Very high96.8Very high1 Ų148.3 Ų48.31%0.00524%0.237CC..SBendtrans-53.4130174.1-168.473.620.900108.9G29 G30 Y31 T39 R41 M43 D44G29-Q74 VanDerWaalsContact CA-NE2 3.29Å; G30-Q74 PolarHBondContact O-NE2 3.19Å; Y31-Q74 HydrophobicContact CD1-CG 4.19Å; Y31-Q74 HydrophobicContact CE1-CB 4.3Å; Y31-Q74 HydrophobicContact CE1-CG 3.56Å; Y31-Q74 PolarHBondContact OH-O 2.84Å; T39-Q74 HydrophobicContact CG2-CB 4.22Å; R41-Q74 PolarHBondContact O-N 2.95Å; M43-Q74 VanDerWaalsContact CA-OE1 3.26Å; D44-Q74 VanDerWaalsContact N-OE1 3.07Å; D44-Q74 PolarHBondContact OD1-NE2 3.37Å; D44-Q74 PolarHBondContact OD1-OE1 2.8Å
75R96.3Very high96.9Very high4 Ų445.6 Ų45.62%0.01522%0.217CC..  trans-156.9169.3-175.175.8-166.464-158.8-3.3111G30 M43 Y73 H78 G91 R93 C100G30-R75 WeakPolarHBondContact CA-O 3.31Å; G30-R75 PolarHBondContact N-O 3.36Å; M43-R75 HydrophobicContact CE-CG 3.67Å; Y73-R75 HydrophobicContact CD2-CB 4.07Å; Y73-R75 VanDerWaalsContact CE1-CZ 3.49Å; Y73-R75 HydrophobicContact CE2-CB 3.83Å; Y73-R75 VanDerWaalsContact CE2-CZ 3.45Å; Y73-R75 VanDerWaalsContact CZ-NH2 3.26Å; Y73-R75 PolarHBondContact O-N 2.97Å; Y73-R75 PolarHBondContact O-NE 3.17Å; Y73-R75 PolarHBondContact O-NH2 2.62Å; Y73-R75 VanDerWaalsContact O-NH2 3.15Å; Y73-R75 PolarHBondContact OH-NH1 3.45Å; R75-H78 HydrophobicContact CG-CB 4.29Å; R75-H78 VanDerWaalsContact CG-ND1 3.34Å; R75-H78 WeakPolarHBondContact CG-ND1 3.25Å; R75-H78 PolarHBondContact O-CE1 2.98Å; R75-H78 VanDerWaalsContact O-CE1 3.27Å; R75-H78 PolarHBondContact O-ND1 3.03Å; R75-G91 VanDerWaalsContact CD-O 3.25Å; R75-G91 WeakPolarHBondContact CD-O 3.44Å; R75-G91 PolarHBondContact NH1-O 3.27Å; R75-R93 WeakPolarHBondContact CA-O 3.48Å; R75-R93 VanDerWaalsContact CB-O 3.29Å; R75-R93 WeakPolarHBondContact CB-O 3.33Å; R75-C100 PolarHBondContact NH1-SG 2.81Å
76Y95.5Very high97Very high52 Ų5242.7 Ų42.720%0.20420%0.204CC..EExtended strand (participates in β ladder)trans-123.1163.5171.866.5-99.7000111.9N15 Y31 H78 G92 R93 F180N15-Y76 HydrophobicContact CB-CD2 4.49Å; N15-Y76 HydrophobicContact CB-CG 4.49Å; Y31-Y76 AromaticContact CD2-CD1 3.72Å; Y31-Y76 HydrophobicContact CD2-CD1 3.72Å; Y31-Y76 HydrophobicContact CD2-CG 4.35Å; Y31-Y76 AromaticContact CE2-CD1 3.6Å; Y31-Y76 HydrophobicContact CE2-CD1 3.6Å; Y31-Y76 HydrophobicContact CE2-CG 4.38Å; Y76-H78 PolarHBondContact O-N 3.12Å; Y76-G92 CarbonylContact O-C 3.57Å; Y76-G92 WeakPolarHBondContact O-CA 3.25Å; Y76-R93 HydrophobicContact CD2-CG 4.32Å; Y76-R93 HydrophobicContact CE1-CG 4.26Å; Y76-R93 HydrophobicContact CE2-CG 3.71Å; Y76-R93 PolarHBondContact N-O 3.25Å; Y76-R93 PolarHBondContact O-N 2.72Å; Y76-R93 WeakPolarHBondContact OH-CD 3.38Å; Y76-R93 PolarHBondContact OH-NE 3.05Å; Y76-F180 HydrophobicContact CD2-CZ 4.49Å; Y76-F180 HydrophobicContact CE2-CZ 4.45Å
77G96.8Very high97.2Very high7 Ų736 Ų367%0.07217%0.173CC..EExtended strand (participates in β ladder)trans71.211.6173.400000114.2N15 D127 G128N15-G77 PolarHBondContact O-N 3.34Å; G77-D127 WeakPolarHBondContact O-CA 3.45Å; G77-G128 PolarHBondContact O-N 3.3Å
78H98.5Very high97.2Very high9 Ų935.5 Ų35.54%0.04217%0.17CC..EExtended strand (participates in β ladder)trans-74.3164.8163.255.8-74.1000110.3F28 R75 Y76 I89 W90 G91 G92F28-H78 PolarHBondContact O-CE1 2.74Å; F28-H78 VanDerWaalsContact O-CE1 3.3Å; F28-H78 PolarHBondContact O-NE2 3.39Å; R75-H78 HydrophobicContact CG-CB 4.29Å; R75-H78 VanDerWaalsContact CG-ND1 3.34Å; R75-H78 WeakPolarHBondContact CG-ND1 3.25Å; R75-H78 PolarHBondContact O-CE1 2.98Å; R75-H78 VanDerWaalsContact O-CE1 3.27Å; R75-H78 PolarHBondContact O-ND1 3.03Å; Y76-H78 PolarHBondContact O-N 3.12Å; H78-I89 HydrophobicContact CB-CG2 4.05Å; H78-W90 WeakPolarHBondContact CA-O 3.3Å; H78-W90 WeakPolarHBondContact CB-O 3.35Å; H78-G91 WeakPolarHBondContact CB-O 3.44Å; H78-G92 VanDerWaalsContact N-CA 3.31Å
79T98.7Very high97.4Very high17 Ų1733.3 Ų33.310%0.10416%0.161CC..EExtended strand (participates in β ladder)trans-113.1156.1170.558.30000110.3I89 W90 H129 A131T79-I89 WeakPolarHBondContact O-CA 3.14Å; T79-W90 PolarHBondContact N-O 2.9Å; T79-W90 PolarHBondContact O-N 2.9Å; T79-H129 VanDerWaalsContact CG2-NE2 3.33Å; T79-H129 WeakPolarHBondContact CG2-NE2 3.45Å; T79-H129 WeakPolarHBondContact CG2-O 3.45Å; T79-H129 PolarHBondContact OG1-NE2 2.84Å; T79-A131 HydrophobicContact CG2-CB 3.93Å; T79-A131 VanDerWaalsContact OG1-CB 3.25Å; T79-A131 WeakPolarHBondContact OG1-CB 3.28Å
80A98.7Very high97.6Very high17 Ų1725.7 Ų25.714%0.1413%0.131CC..EExtended strand (participates in β ladder)trans-128.7137.9172.600000109.4A17 V19 F28 Y88 I89A17-A80 HydrophobicContact CB-CB 3.65Å; V19-A80 VanDerWaalsContact CG1-C 3.46Å; V19-A80 HydrophobicContact CG1-CB 3.81Å; V19-A80 VanDerWaalsContact CG1-O 3.28Å; V19-A80 WeakPolarHBondContact CG1-O 3.3Å; F28-A80 HydrophobicContact CD2-CB 4.11Å; F28-A80 HydrophobicContact CE2-CB 4.5Å; A80-Y88 CarbonylContact C-O 3.55Å; A80-Y88 WeakPolarHBondContact CA-O 3.35Å; A80-I89 HydrophobicContact CB-CG1 4.09Å
81V98.7Very high97.6Very high8 Ų824 Ų245%0.04812%0.123CC..EExtended strand (participates in β ladder)trans-132147.9174-63.40000110.9Y88 A131 V133 M138 F160V81-Y88 PolarHBondContact N-O 2.87Å; V81-Y88 PolarHBondContact O-N 3.08Å; V81-A131 HydrophobicContact CG1-CB 3.92Å; V81-V133 HydrophobicContact CB-CG2 3.72Å; V81-V133 HydrophobicContact CG1-CG2 4.18Å; V81-V133 HydrophobicContact CG2-CG2 4.02Å; V81-M138 HydrophobicContact CG1-CE 4.26Å; V81-M138 HydrophobicContact CG1-CG 4.5Å; V81-M138 HydrophobicContact CG2-CB 4.46Å; V81-M138 HydrophobicContact CG2-CE 4.09Å; V81-M138 HydrophobicContact CG2-CG 3.99Å; V81-M138 HydrophobicContact CG2-SD 3.71Å; V81-F160 HydrophobicContact CG2-CZ 4.04Å
82A98.4Very high97.6Very high39 Ų3923.6 Ų23.632%0.32212%0.12SC..EExtended strand (participates in β ladder)trans-98.8129.817400000110V19 I21 M86V19-A82 HydrophobicContact CB-CB 4.17Å; V19-A82 HydrophobicContact CG2-CB 4.37Å; I21-A82 HydrophobicContact CD1-CB 3.87Å; I21-A82 HydrophobicContact CG1-CB 3.74Å; A82-M86 WeakPolarHBondContact CA-O 3.4Å
83Y98.4Very high97.6Very high24 Ų2425.1 Ų25.19%0.09413%0.126CC..EExtended strand (participates in β ladder)trans-147.9124.4175.2174.4-98000110.3D85 M86 Y88 V133 D136 F160Y83-D85 PolarHBondContact O-N 2.9Å; Y83-M86 PolarHBondContact N-O 2.89Å; Y83-M86 PolarHBondContact O-N 2.88Å; Y83-Y88 HydrophobicContact CD1-CE2 4.07Å; Y83-Y88 HydrophobicContact CG-CE2 4.48Å; Y83-V133 HydrophobicContact CD2-CG1 4.23Å; Y83-D136 HydrophobicContact CE2-CB 4.41Å; Y83-D136 WeakPolarHBondContact CE2-OD1 3.39Å; Y83-D136 PolarHBondContact OH-OD1 2.83Å; Y83-F160 HydrophobicContact CD1-CB 3.82Å; Y83-F160 AromaticContact CD1-CD1 4Å; Y83-F160 HydrophobicContact CD1-CD1 4Å; Y83-F160 AromaticContact CD1-CD2 3.66Å; Y83-F160 HydrophobicContact CD1-CD2 3.66Å; Y83-F160 HydrophobicContact CD1-CE1 4.43Å; Y83-F160 HydrophobicContact CD1-CE2 4.14Å; Y83-F160 AromaticContact CD1-CG 3.58Å; Y83-F160 HydrophobicContact CD1-CG 3.58Å; Y83-F160 HydrophobicContact CD1-CZ 4.47Å; Y83-F160 AromaticContact CD2-CD2 3.65Å; Y83-F160 HydrophobicContact CD2-CD2 3.65Å; Y83-F160 AromaticContact CD2-CE2 3.84Å; Y83-F160 HydrophobicContact CD2-CE2 3.84Å; Y83-F160 HydrophobicContact CD2-CG 4.41Å; Y83-F160 HydrophobicContact CE1-CB 3.39Å; Y83-F160 HydrophobicContact CE1-CD1 4.44Å; Y83-F160 AromaticContact CE1-CD2 3.88Å; Y83-F160 HydrophobicContact CE1-CD2 3.88Å; Y83-F160 AromaticContact CE1-CG 3.69Å; Y83-F160 HydrophobicContact CE1-CG 3.69Å; Y83-F160 AromaticContact CE2-CD2 3.86Å; Y83-F160 HydrophobicContact CE2-CD2 3.86Å; Y83-F160 HydrophobicContact CE2-CE2 4.48Å; Y83-F160 HydrophobicContact CG-CD1 4.43Å; Y83-F160 AromaticContact CG-CD2 3.55Å; Y83-F160 HydrophobicContact CG-CD2 3.55Å; Y83-F160 HydrophobicContact CG-CE1 4.5Å; Y83-F160 AromaticContact CG-CE2 3.65Å; Y83-F160 HydrophobicContact CG-CE2 3.65Å; Y83-F160 AromaticContact CG-CG 3.96Å; Y83-F160 HydrophobicContact CG-CG 3.96Å; Y83-F160 HydrophobicContact CG-CZ 4.11Å; Y83-F160 AromaticContact CZ-CD2 3.96Å
84K96.5Very high97.5Very high147 Ų14723.5 Ų23.564%0.63912%0.119SC*.THydrogen-bonded Turntrans45.359.2-178.3-68.8-177.7174.9158.80113.3M86 D136K84-M86 PolarHBondContact O-N 3.5Å; K84-D136 IonicContact NZ-OD1 2.8Å
85D96.8Very high97.2Very high76 Ų7627.3 Ų27.341%0.40614%0.14SC..THydrogen-bonded Turntrans61.75.4-179.1-64.3-43.6000116.3N22 Y83 P108N22-D85 PolarHBondContact ND2-OD1 2.87Å; Y83-D85 PolarHBondContact O-N 2.9Å; D85-P108 WeakPolarHBondContact O-CD 3.41Å; D85-P108 VanDerWaalsContact O-CG 3.3Å; D85-P108 WeakPolarHBondContact O-CG 3.3Å
86M98.5Very high96.9Very high41 Ų4131.7 Ų31.720%0.20216%0.162CC..EExtended strand (participates in β ladder)trans-108.5148176.6-63.2-61.7-150.600111.2A82 Y83 K84 Y88 Q105 D107A82-M86 WeakPolarHBondContact CA-O 3.4Å; Y83-M86 PolarHBondContact N-O 2.89Å; Y83-M86 PolarHBondContact O-N 2.88Å; K84-M86 PolarHBondContact O-N 3.5Å; M86-Y88 HydrophobicContact CB-CD2 4.39Å; M86-Y88 HydrophobicContact CB-CE2 3.74Å; M86-Q105 HydrophobicContact CB-CG 3.89Å; M86-Q105 HydrophobicContact CG-CG 4.29Å; M86-D107 HydrophobicContact CE-CB 3.8Å; M86-D107 VanDerWaalsContact SD-CA 3.56Å; M86-D107 HydrophobicContact SD-CB 3.67Å
87C98.8Very high96.6Very high0 Ų032.8 Ų32.80%017%0.172CC..EExtended strand (participates in β ladder)trans-94.7135.3169.2-58.90000109.1V19 I21 F28 Q105 F106V19-C87 HydrophobicContact CG2-CB 4.2Å; V19-C87 WeakPolarHBondContact CG2-SG 3.43Å; I21-C87 WeakPolarHBondContact CD1-SG 3.39Å; F28-C87 HydrophobicContact CE2-CB 4.09Å; F28-C87 HydrophobicContact CZ-CB 3.79Å; C87-Q105 CarbonylContact O-C 3.49Å; C87-Q105 VanDerWaalsContact O-CA 3.28Å; C87-Q105 WeakPolarHBondContact O-CA 3.48Å; C87-Q105 WeakPolarHBondContact O-CG 3.38Å; C87-F106 HydrophobicContact CB-CB 4.14Å; C87-F106 HydrophobicContact CB-CD1 4.38Å; C87-F106 PolarHBondContact N-O 2.89Å; C87-F106 PolarHBondContact O-N 2.89Å
88Y98.8Very high96.5Very high13 Ų1333 Ų335%0.05117%0.174CC..EExtended strand (participates in β ladder)trans-118.7134.8174-66.3-99.7000109.6A80 V81 Y83 M86 L103 H104 Q105 F160A80-Y88 CarbonylContact C-O 3.55Å; A80-Y88 WeakPolarHBondContact CA-O 3.35Å; V81-Y88 PolarHBondContact N-O 2.87Å; V81-Y88 PolarHBondContact O-N 3.08Å; Y83-Y88 HydrophobicContact CD1-CE2 4.07Å; Y83-Y88 HydrophobicContact CG-CE2 4.48Å; M86-Y88 HydrophobicContact CB-CD2 4.39Å; M86-Y88 HydrophobicContact CB-CE2 3.74Å; Y88-L103 HydrophobicContact CD1-CD1 4.22Å; Y88-L103 HydrophobicContact CD1-CD2 4.17Å; Y88-L103 HydrophobicContact CD1-CG 4.3Å; Y88-H104 CarbonylContact C-O 3.59Å; Y88-H104 WeakPolarHBondContact CA-O 3.14Å; Y88-Q105 HydrophobicContact CD1-CB 4.15Å; Y88-Q105 HydrophobicContact CD1-CG 4.25Å; Y88-Q105 HydrophobicContact CE1-CB 4.16Å; Y88-Q105 HydrophobicContact CE1-CG 4.03Å; Y88-Q105 PolarHBondContact OH-NE2 2.95Å; Y88-F160 HydrophobicContact CD1-CD1 4.27Å; Y88-F160 AromaticContact CD1-CE1 3.8Å; Y88-F160 HydrophobicContact CD1-CE1 3.8Å; Y88-F160 HydrophobicContact CD2-CD1 4.49Å; Y88-F160 AromaticContact CD2-CE1 3.74Å; Y88-F160 HydrophobicContact CD2-CE1 3.74Å; Y88-F160 HydrophobicContact CD2-CZ 4.27Å; Y88-F160 AromaticContact CE1-CD1 3.88Å; Y88-F160 HydrophobicContact CE1-CD1 3.88Å; Y88-F160 AromaticContact CE1-CE1 3.86Å; Y88-F160 HydrophobicContact CE1-CE1 3.86Å; Y88-F160 HydrophobicContact CE2-CD1 4.14Å; Y88-F160 AromaticContact CE2-CE1 3.83Å; Y88-F160 HydrophobicContact CE2-CE1 3.83Å; Y88-F160 AromaticContact CG-CE1 3.71Å; Y88-F160 HydrophobicContact CG-CE1 3.71Å; Y88-F160 HydrophobicContact CG-CZ 4.46Å; Y88-F160 AromaticContact CZ-CD1 3.78Å; Y88-F160 AromaticContact CZ-CE1 3.85Å
89I98.7Very high96.4Very high2 Ų233.3 Ų33.31%0.0118%0.178CC..EExtended strand (participates in β ladder)trans-124134.2178.8-60.5-169.6000109.7F28 M43 H78 T79 A80 H104 W113F28-I89 HydrophobicContact CB-CD1 3.47Å; F28-I89 VanDerWaalsContact CB-CD1 3.47Å; F28-I89 HydrophobicContact CD1-CD1 3.66Å; F28-I89 HydrophobicContact CD2-CD1 3.8Å; F28-I89 HydrophobicContact CE1-CD1 4.28Å; F28-I89 HydrophobicContact CE2-CD1 4.39Å; F28-I89 HydrophobicContact CG-CD1 3.38Å; M43-I89 HydrophobicContact SD-CD1 3.83Å; H78-I89 HydrophobicContact CB-CG2 4.05Å; T79-I89 WeakPolarHBondContact O-CA 3.14Å; A80-I89 HydrophobicContact CB-CG1 4.09Å; I89-H104 PolarHBondContact N-O 3.06Å; I89-H104 PolarHBondContact O-N 3.06Å; I89-W113 HydrophobicContact CD1-CH2 3.4Å; I89-W113 VanDerWaalsContact CD1-CH2 3.4Å; I89-W113 HydrophobicContact CD1-CZ2 4.48Å; I89-W113 HydrophobicContact CD1-CZ3 3.93Å; I89-W113 HydrophobicContact CG1-CH2 4.14Å; I89-W113 HydrophobicContact CG1-CZ3 4.22Å
90W98.7Very high96.3Very high1 Ų133 Ų330%0.00418%0.176CC..EExtended strand (participates in β ladder)trans-143.3150.4177.9-168.487.1000111.7H78 T79 N101 L103 A123 P124 R126 H129 M138 I140 W165H78-W90 WeakPolarHBondContact CA-O 3.3Å; H78-W90 WeakPolarHBondContact CB-O 3.35Å; T79-W90 PolarHBondContact N-O 2.9Å; T79-W90 PolarHBondContact O-N 2.9Å; W90-N101 HydrophobicContact CZ2-CB 4Å; W90-N101 PolarHBondContact NE1-O 3.39Å; W90-L103 HydrophobicContact CB-CD1 4.03Å; W90-L103 HydrophobicContact CG-CD1 4.48Å; W90-A123 HydrophobicContact CH2-CB 3.74Å; W90-A123 HydrophobicContact CZ2-CB 3.71Å; W90-P124 WeakPolarHBondContact CH2-O 3.28Å; W90-R126 HydrophobicContact CH2-CG 3.71Å; W90-R126 HydrophobicContact CZ3-CG 3.55Å; W90-H129 AromaticContact CE3-CD2 3.99Å; W90-H129 AromaticContact CE3-CE1 3.61Å; W90-H129 AromaticContact CE3-NE2 3.4Å; W90-H129 AromaticContact CZ3-CE1 3.81Å; W90-H129 AromaticContact CZ3-NE2 3.82Å; W90-H129 PolarHBondContact O-CE1 2.97Å; W90-H129 VanDerWaalsContact O-CE1 3.29Å; W90-H129 PolarHBondContact O-NE2 3.43Å; W90-M138 HydrophobicContact CB-CE 4Å; W90-I140 HydrophobicContact CE3-CD1 3.88Å; W90-I140 HydrophobicContact CE3-CG2 4.49Å; W90-I140 HydrophobicContact CH2-CD1 3.59Å; W90-I140 HydrophobicContact CZ2-CD1 4.27Å; W90-I140 HydrophobicContact CZ3-CD1 3.37Å; W90-W165 AromaticContact CD1-CZ2 3.86Å; W90-W165 HydrophobicContact CD2-CZ2 4.3Å; W90-W165 HydrophobicContact CG-CZ2 4.18Å; W90-W165 AromaticContact NE1-CZ2 3.77Å
91G98.4Very high96.2Very high1 Ų135.3 Ų35.31%0.0119%0.186CC..EExtended strand (participates in β ladder)trans74.4-153.7178.300000114.7R75 H78 C100 R126R75-G91 VanDerWaalsContact CD-O 3.25Å; R75-G91 WeakPolarHBondContact CD-O 3.44Å; R75-G91 PolarHBondContact NH1-O 3.27Å; H78-G91 WeakPolarHBondContact CB-O 3.44Å; G91-C100 VanDerWaalsContact CA-O 3.29Å; G91-C100 WeakPolarHBondContact CA-O 3.39Å; G91-R126 CarbonylContact C-O 3.51Å; G91-R126 WeakPolarHBondContact CA-O 3.48Å
92G98Very high96.1Very high0 Ų037.5 Ų37.50%020%0.199CC..EExtended strand (participates in β ladder)trans76.7168.2-177.100000113.1Y76 H78 A99 C100 R126Y76-G92 CarbonylContact O-C 3.57Å; Y76-G92 WeakPolarHBondContact O-CA 3.25Å; H78-G92 VanDerWaalsContact N-CA 3.31Å; G92-A99 WeakPolarHBondContact O-CA 3.37Å; G92-C100 PolarHBondContact O-N 3.42Å; G92-R126 PolarHBondContact N-O 3.23Å
93R96.1Very high96.1Very high34 Ų3435.6 Ų35.613%0.12818%0.184CC..EExtended strand (participates in β ladder)trans-143.8162.8-175.264.3167.7-84.3103.8-1.8113.6R75 Y76 D95 G98 A99 D127 E146R75-R93 WeakPolarHBondContact CA-O 3.48Å; R75-R93 VanDerWaalsContact CB-O 3.29Å; R75-R93 WeakPolarHBondContact CB-O 3.33Å; Y76-R93 HydrophobicContact CD2-CG 4.32Å; Y76-R93 HydrophobicContact CE1-CG 4.26Å; Y76-R93 HydrophobicContact CE2-CG 3.71Å; Y76-R93 PolarHBondContact N-O 3.25Å; Y76-R93 PolarHBondContact O-N 2.72Å; Y76-R93 WeakPolarHBondContact OH-CD 3.38Å; Y76-R93 PolarHBondContact OH-NE 3.05Å; R93-D95 IonicContact CZ-OD1 2.81Å; R93-D95 IonicContact NH2-OD1 2.77Å; R93-D95 PolarHBondContact NH2-OD1 2.96Å; R93-G98 VanDerWaalsContact CA-O 3.27Å; R93-G98 WeakPolarHBondContact CA-O 3.28Å; R93-A99 HydrophobicContact CB-CB 4.28Å; R93-D127 HydrophobicContact CB-CB 4.3Å; R93-D127 WeakPolarHBondContact CD-OD1 3.41Å; R93-D127 HydrophobicContact CG-CB 3.78Å; R93-E146 IonicContact CZ-OE1 3.5Å; R93-E146 IonicContact NH1-OE1 2.71Å; R93-E146 PolarHBondContact NH1-OE1 2.98Å; R93-E146 IonicContact NH1-OE2 3.23Å; R93-E146 PolarHBondContact NH1-OE2 3.46Å; R93-E146 VanDerWaalsContact NH1-OE2 3.14Å
94N94Very high96.2Very high0 Ų034.8 Ų34.80%018%0.181CC..EExtended strand (participates in β ladder)trans-137177.7158.872.2-2.7000108.1Y31 T39 Y73 I96 N97 G98Y31-N94 WeakPolarHBondContact OH-CB 3.45Å; T39-N94 PolarHBondContact O-ND2 3.28Å; Y73-N94 HydrophobicContact CD2-CB 4.36Å; Y73-N94 WeakPolarHBondContact CD2-ND2 3.46Å; Y73-N94 HydrophobicContact CE2-CB 4.19Å; N94-I96 PolarHBondContact O-N 2.83Å; N94-I96 PolarHBondContact OD1-N 3.06Å; N94-N97 PolarHBondContact ND2-OD1 2.78Å; N94-N97 VanDerWaalsContact ND2-OD1 3.15Å; N94-N97 WeakPolarHBondContact OD1-CA 3.27Å; N94-N97 VanDerWaalsContact OD1-CB 3.26Å; N94-N97 WeakPolarHBondContact OD1-CB 3.35Å; N94-N97 PolarHBondContact OD1-N 3.08Å; N94-G98 PolarHBondContact N-O 2.98Å; N94-G98 WeakPolarHBondContact O-CA 3.47Å; N94-G98 PolarHBondContact O-N 2.71Å; N94-G98 PolarHBondContact OD1-N 2.88Å
95D88.4Confident96.3Very high82 Ų8228 Ų2844%0.43915%0.152SC..THydrogen-bonded Turntrans-79.2-18.3-174.5-61.5-29.5000114S37 E38 R93S37-D95 WeakPolarHBondContact CB-OD2 3.38Å; S37-D95 PolarHBondContact OG-N 3.44Å; S37-D95 PolarHBondContact OG-OD2 3.4Å; E38-D95 HydrophobicContact CG-CB 4Å; R93-D95 IonicContact CZ-OD1 2.81Å; R93-D95 IonicContact NH2-OD1 2.77Å; R93-D95 PolarHBondContact NH2-OD1 2.96Å
96I89.9Confident96.4Very high96 Ų9624.5 Ų24.549%0.49213%0.133SC..THydrogen-bonded Turntrans-93.6-45.3-176.7-70.3-73.1000112.9E38 I40 N94E38-I96 VanDerWaalsContact CA-CG1 3.48Å; E38-I96 HydrophobicContact CB-CD1 4.01Å; E38-I96 HydrophobicContact CB-CG1 3.66Å; E38-I96 HydrophobicContact CG-CD1 4.45Å; E38-I96 HydrophobicContact CG-CG1 4.3Å; I40-I96 HydrophobicContact CG2-CG2 3.9Å; N94-I96 PolarHBondContact O-N 2.83Å; N94-I96 PolarHBondContact OD1-N 3.06Å
97N89Confident96.4Very high75 Ų7524.5 Ų24.540%0.40113%0.133SC..THydrogen-bonded Turntrans-96.2-11.7-176.8-61.195.2000112.5Y73 N94Y73-N97 HydrophobicContact CD1-CB 3.92Å; Y73-N97 HydrophobicContact CD2-CB 4.15Å; Y73-N97 HydrophobicContact CE1-CB 3.52Å; Y73-N97 HydrophobicContact CE2-CB 3.78Å; Y73-N97 HydrophobicContact CG-CB 4.25Å; Y73-N97 VanDerWaalsContact CZ-CB 3.45Å; N94-N97 PolarHBondContact ND2-OD1 2.78Å; N94-N97 VanDerWaalsContact ND2-OD1 3.15Å; N94-N97 WeakPolarHBondContact OD1-CA 3.27Å; N94-N97 VanDerWaalsContact OD1-CB 3.26Å; N94-N97 WeakPolarHBondContact OD1-CB 3.35Å; N94-N97 PolarHBondContact OD1-N 3.08Å
98G93.8Very high96.3Very high11 Ų1125.5 Ų25.511%0.11314%0.14CC..EExtended strand (participates in β ladder)trans68-159.4-174.700000112.5Y73 R93 N94 E146Y73-G98 PolarHBondContact OH-O 3Å; R93-G98 VanDerWaalsContact CA-O 3.27Å; R93-G98 WeakPolarHBondContact CA-O 3.28Å; N94-G98 PolarHBondContact N-O 2.98Å; N94-G98 WeakPolarHBondContact O-CA 3.47Å; N94-G98 PolarHBondContact O-N 2.71Å; N94-G98 PolarHBondContact OD1-N 2.88Å; G98-E146 WeakPolarHBondContact CA-OE2 3.33Å
99A96.5Very high96.3Very high15 Ų1532.9 Ų32.912%0.12417%0.173CC..EExtended strand (participates in β ladder)trans-74.2147.1177.700000111.9G92 R93 S125 E146G92-A99 WeakPolarHBondContact O-CA 3.37Å; R93-A99 HydrophobicContact CB-CB 4.28Å; A99-S125 WeakPolarHBondContact O-CB 3.44Å; A99-E146 HydrophobicContact CB-CB 3.91Å; A99-E146 WeakPolarHBondContact CB-OE2 3.38Å; A99-E146 PolarHBondContact N-OE2 2.71Å
100C96.9Very high96.2Very high11 Ų1135.8 Ų35.87%0.07419%0.193CC..  trans-113.3151.3-177.6-162.90000112.8Y73 R75 G91 G92 V102 S125Y73-C100 WeakPolarHBondContact OH-CB 3.29Å; R75-C100 PolarHBondContact NH1-SG 2.81Å; G91-C100 VanDerWaalsContact CA-O 3.29Å; G91-C100 WeakPolarHBondContact CA-O 3.39Å; G92-C100 PolarHBondContact O-N 3.42Å; C100-V102 PolarHBondContact SG-N 3.19Å; C100-V102 VanDerWaalsContact SG-N 3.37Å; C100-S125 WeakPolarHBondContact O-CA 3.44Å
101N96.9Very high96.1Very high66 Ų6637 Ų3735%0.35321%0.206SC..  trans-126.19.6169.262.5-10.1000112.8W90W90-N101 HydrophobicContact CZ2-CB 4Å; W90-N101 PolarHBondContact NE1-O 3.39Å
102V97.8Very high96Very high53 Ų5341.1 Ų41.132%0.32123%0.227SC..  trans-83.2123.9178179.90000109.8C100 H104 Q115C100-V102 PolarHBondContact SG-N 3.19Å; C100-V102 VanDerWaalsContact SG-N 3.37Å; V102-H104 VanDerWaalsContact CG1-CE1 3.48Å; V102-H104 WeakPolarHBondContact CG1-CE1 3.14Å; V102-H104 PolarHBondContact O-ND1 3.43Å; V102-Q115 HydrophobicContact CG1-CB 4.4Å; V102-Q115 HydrophobicContact CG1-CG 4.13Å
103L98.6Very high96.1Very high0 Ų041.8 Ų41.80%023%0.23CC..EExtended strand (participates in β ladder)trans-76.9122.7173.2-176.567.7000110.3Y88 W90 V116 T118 L158Y88-L103 HydrophobicContact CD1-CD1 4.22Å; Y88-L103 HydrophobicContact CD1-CD2 4.17Å; Y88-L103 HydrophobicContact CD1-CG 4.3Å; W90-L103 HydrophobicContact CB-CD1 4.03Å; W90-L103 HydrophobicContact CG-CD1 4.48Å; L103-V116 HydrophobicContact CB-CB 4.2Å; L103-V116 HydrophobicContact CD2-CB 3.78Å; L103-V116 HydrophobicContact CD2-CG1 3.83Å; L103-V116 HydrophobicContact CD2-CG2 4.26Å; L103-V116 HydrophobicContact CG-CB 4.01Å; L103-V116 HydrophobicContact CG-CG2 4.34Å; L103-V116 PolarHBondContact O-N 2.79Å; L103-T118 HydrophobicContact CB-CG2 3.93Å; L103-T118 HydrophobicContact CD2-CG2 3.8Å; L103-L158 HydrophobicContact CD1-CD2 4.3Å; L103-L158 HydrophobicContact CD2-CD2 3.3Å; L103-L158 HydrophobicContact CG-CD2 4.43Å
104H98.7Very high96.2Very high6 Ų645.9 Ų45.93%0.02825%0.245CC..EExtended strand (participates in β ladder)trans-108.5141.8174-65.777.2000109.5L70 P72 Y88 I89 V102 W113 Q115L70-H104 PolarHBondContact O-CD2 3.14Å; P72-H104 HydrophobicContact CG-CB 3.81Å; Y88-H104 CarbonylContact C-O 3.59Å; Y88-H104 WeakPolarHBondContact CA-O 3.14Å; I89-H104 PolarHBondContact N-O 3.06Å; I89-H104 PolarHBondContact O-N 3.06Å; V102-H104 VanDerWaalsContact CG1-CE1 3.48Å; V102-H104 WeakPolarHBondContact CG1-CE1 3.14Å; V102-H104 PolarHBondContact O-ND1 3.43Å; H104-W113 HydrophobicContact CB-CE3 3.92Å; H104-W113 HydrophobicContact CB-CZ3 3.93Å; H104-Q115 PolarHBondContact NE2-NE2 2.78Å
105Q98.7Very high96.3Very high6 Ų650.3 Ų50.33%0.02827%0.266CS..EExtended strand (participates in β ladder)trans-118.3134.8171.3-176-165.679.500109.3M86 C87 Y88 W113 R114 V116M86-Q105 HydrophobicContact CB-CG 3.89Å; M86-Q105 HydrophobicContact CG-CG 4.29Å; C87-Q105 CarbonylContact O-C 3.49Å; C87-Q105 VanDerWaalsContact O-CA 3.28Å; C87-Q105 WeakPolarHBondContact O-CA 3.48Å; C87-Q105 WeakPolarHBondContact O-CG 3.38Å; Y88-Q105 HydrophobicContact CD1-CB 4.15Å; Y88-Q105 HydrophobicContact CD1-CG 4.25Å; Y88-Q105 HydrophobicContact CE1-CB 4.16Å; Y88-Q105 HydrophobicContact CE1-CG 4.03Å; Y88-Q105 PolarHBondContact OH-NE2 2.95Å; Q105-W113 CarbonylContact O-C 3.48Å; Q105-W113 WeakPolarHBondContact O-CA 3.25Å; Q105-R114 HydrophobicContact CB-CG 3.86Å; Q105-R114 VanDerWaalsContact CD-NE 3.33Å; Q105-R114 VanDerWaalsContact CD-NH2 3.28Å; Q105-R114 PolarHBondContact N-O 2.98Å; Q105-R114 PolarHBondContact O-N 3.3Å; Q105-V116 HydrophobicContact CB-CG2 3.73Å
106F98.8Very high96.8Very high1 Ų146.9 Ų46.90%0.00425%0.248CC..EExtended strand (participates in β ladder)trans-111.5131.3171.6176.9-100.1000109.6Y26 F28 V45 L58 C87 P108 G111 W113Y26-F106 AromaticContact CD1-CE1 3.78Å; Y26-F106 HydrophobicContact CD1-CE1 3.78Å; Y26-F106 HydrophobicContact CE1-CE1 4.01Å; F28-F106 HydrophobicContact CE1-CB 4.34Å; F28-F106 HydrophobicContact CE1-CD1 4Å; F28-F106 HydrophobicContact CE1-CE1 4.46Å; F28-F106 HydrophobicContact CE1-CG 4.1Å; F28-F106 AromaticContact CZ-CD1 3.99Å; F28-F106 HydrophobicContact CZ-CD1 3.99Å; F28-F106 HydrophobicContact CZ-CG 4.42Å; V45-F106 HydrophobicContact CG1-CE1 4.23Å; V45-F106 HydrophobicContact CG1-CE2 4.43Å; V45-F106 HydrophobicContact CG1-CZ 3.94Å; V45-F106 HydrophobicContact CG2-CE2 4.12Å; V45-F106 HydrophobicContact CG2-CZ 4.45Å; L58-F106 HydrophobicContact CD1-CE2 4.17Å; L58-F106 HydrophobicContact CD1-CZ 3.73Å; C87-F106 HydrophobicContact CB-CB 4.14Å; C87-F106 HydrophobicContact CB-CD1 4.38Å; C87-F106 PolarHBondContact N-O 2.89Å; C87-F106 PolarHBondContact O-N 2.89Å; F106-P108 HydrophobicContact CD1-CG 4.47Å; F106-P108 WeakPolarHBondContact O-CD 3.45Å; F106-G111 VanDerWaalsContact CE2-C 3.43Å; F106-G111 WeakPolarHBondContact CE2-O 3.19Å; F106-W113 HydrophobicContact CB-CD2 3.97Å; F106-W113 HydrophobicContact CB-CE3 3.71Å; F106-W113 HydrophobicContact CB-CH2 3.59Å; F106-W113 HydrophobicContact CB-CZ2 3.91Å; F106-W113 HydrophobicContact CB-CZ3 3.53Å; F106-W113 AromaticContact CD2-CD2 3.84Å; F106-W113 HydrophobicContact CD2-CD2 3.84Å; F106-W113 AromaticContact CD2-CE2 3.46Å; F106-W113 VanDerWaalsContact CD2-CE2 3.46Å; F106-W113 HydrophobicContact CD2-CE3 4.46Å; F106-W113 HydrophobicContact CD2-CG 4.17Å; F106-W113 HydrophobicContact CD2-CH2 4.32Å; F106-W113 AromaticContact CD2-CZ2 3.74Å; F106-W113 HydrophobicContact CD2-CZ2 3.74Å; F106-W113 AromaticContact CD2-NE1 3.59Å; F106-W113 HydrophobicContact CG-CD2 4.4Å; F106-W113 HydrophobicContact CG-CH2 4.2Å; F106-W113 HydrophobicContact CG-CZ2 4.04Å
107D98.4Very high97.1Very high41 Ų4149.8 Ų49.822%0.21926%0.263CS..EExtended strand (participates in β ladder)trans-94.4110.1173.5-177.6-11.9000110M86 K109 S110 G111 L112M86-D107 HydrophobicContact CE-CB 3.8Å; M86-D107 VanDerWaalsContact SD-CA 3.56Å; M86-D107 HydrophobicContact SD-CB 3.67Å; D107-K109 PolarHBondContact O-N 2.52Å; D107-K109 WeakPolarHBondContact OD1-CB 3.48Å; D107-K109 PolarHBondContact OD1-N 2.79Å; D107-S110 WeakPolarHBondContact CB-OG 3.29Å; D107-S110 PolarHBondContact O-N 2.94Å; D107-G111 WeakPolarHBondContact O-CA 3.46Å; D107-G111 PolarHBondContact O-N 2.85Å; D107-L112 PolarHBondContact N-O 2.8Å
108P98.3Very high97.6Very high22 Ų2247.7 Ų47.714%0.14325%0.253CS..THydrogen-bonded Turntrans-56.9-28.1176.7-29.139.2000115.4I21 Y26 D85 F106I21-P108 HydrophobicContact CD1-CG 3.94Å; Y26-P108 HydrophobicContact CE1-CB 3.98Å; Y26-P108 HydrophobicContact CE2-CB 4.23Å; Y26-P108 HydrophobicContact CE2-CG 4.41Å; Y26-P108 WeakPolarHBondContact OH-CB 3.35Å; D85-P108 WeakPolarHBondContact O-CD 3.41Å; D85-P108 VanDerWaalsContact O-CG 3.3Å; D85-P108 WeakPolarHBondContact O-CG 3.3Å; F106-P108 HydrophobicContact CD1-CG 4.47Å; F106-P108 WeakPolarHBondContact O-CD 3.45Å
109K97.2Very high97.8Very high168 Ų16853.3 Ų53.373%0.7327%0.274SS*.THydrogen-bonded Turntrans-78.4-41.4-176-65176.7-178168.60111.6D107D107-K109 PolarHBondContact O-N 2.52Å; D107-K109 WeakPolarHBondContact OD1-CB 3.48Å; D107-K109 PolarHBondContact OD1-N 2.79Å
110S96.8Very high97.8Very high63 Ų6355 Ų5544%0.44129%0.293SS..THydrogen-bonded Turntrans-93.3-19.917970.30000113.2D107 L112D107-S110 WeakPolarHBondContact CB-OG 3.29Å; D107-S110 PolarHBondContact O-N 2.94Å; S110-L112 VanDerWaalsContact C-N 3.28Å; S110-L112 WeakPolarHBondContact OG-CB 3.3Å; S110-L112 PolarHBondContact OG-N 2.92Å
111G96.7Very high97.8Very high27 Ų2758.6 Ų58.628%0.27831%0.311SS..THydrogen-bonded Turntrans70.422.5-172.900000113.6F106 D107F106-G111 VanDerWaalsContact CE2-C 3.43Å; F106-G111 WeakPolarHBondContact CE2-O 3.19Å; D107-G111 WeakPolarHBondContact O-CA 3.46Å; D107-G111 PolarHBondContact O-N 2.85Å
112L97.6Very high97.8Very high86 Ų8657.9 Ų57.945%0.4531%0.309SS..EExtended strand (participates in β ladder)trans-112.2152.2-173.3-57.5178.5000112.1Q67 D107 S110Q67-L112 HydrophobicContact CG-CD2 4.01Å; D107-L112 PolarHBondContact N-O 2.8Å; S110-L112 VanDerWaalsContact C-N 3.28Å; S110-L112 WeakPolarHBondContact OG-CB 3.3Å; S110-L112 PolarHBondContact OG-N 2.92Å
113W98.6Very high97.7Very high14 Ų1455.3 Ų55.35%0.05329%0.294CS..EExtended strand (participates in β ladder)trans-98.5151.5174.8-67.994000112.1F28 M43 V45 Q67 L70 T71 P72 I89 H104 Q105 F106F28-W113 AromaticContact CD1-CH2 3.7Å; F28-W113 HydrophobicContact CD1-CH2 3.7Å; F28-W113 AromaticContact CD1-CZ2 3.75Å; F28-W113 HydrophobicContact CD1-CZ2 3.75Å; F28-W113 AromaticContact CE1-CH2 3.69Å; F28-W113 HydrophobicContact CE1-CH2 3.69Å; F28-W113 AromaticContact CE1-CZ2 3.75Å; F28-W113 HydrophobicContact CE1-CZ2 3.75Å; M43-W113 HydrophobicContact SD-CH2 4.5Å; V45-W113 HydrophobicContact CG2-CZ2 3.74Å; Q67-W113 PolarHBondContact NE2-O 3.37Å; Q67-W113 PolarHBondContact OE1-O 3.35Å; L70-W113 HydrophobicContact CB-CB 4.42Å; L70-W113 WeakPolarHBondContact O-CB 3.47Å; T71-W113 HydrophobicContact CG2-CG 4.33Å; P72-W113 HydrophobicContact CG-CD2 4.36Å; P72-W113 HydrophobicContact CG-CE3 3.96Å; P72-W113 HydrophobicContact CG-CH2 4.16Å; P72-W113 HydrophobicContact CG-CZ2 4.49Å; P72-W113 HydrophobicContact CG-CZ3 3.84Å; I89-W113 HydrophobicContact CD1-CH2 3.4Å; I89-W113 VanDerWaalsContact CD1-CH2 3.4Å; I89-W113 HydrophobicContact CD1-CZ2 4.48Å; I89-W113 HydrophobicContact CD1-CZ3 3.93Å; I89-W113 HydrophobicContact CG1-CH2 4.14Å; I89-W113 HydrophobicContact CG1-CZ3 4.22Å; H104-W113 HydrophobicContact CB-CE3 3.92Å; H104-W113 HydrophobicContact CB-CZ3 3.93Å; Q105-W113 CarbonylContact O-C 3.48Å; Q105-W113 WeakPolarHBondContact O-CA 3.25Å; F106-W113 HydrophobicContact CB-CD2 3.97Å; F106-W113 HydrophobicContact CB-CE3 3.71Å; F106-W113 HydrophobicContact CB-CH2 3.59Å; F106-W113 HydrophobicContact CB-CZ2 3.91Å; F106-W113 HydrophobicContact CB-CZ3 3.53Å; F106-W113 AromaticContact CD2-CD2 3.84Å; F106-W113 HydrophobicContact CD2-CD2 3.84Å; F106-W113 AromaticContact CD2-CE2 3.46Å; F106-W113 VanDerWaalsContact CD2-CE2 3.46Å; F106-W113 HydrophobicContact CD2-CE3 4.46Å; F106-W113 HydrophobicContact CD2-CG 4.17Å; F106-W113 HydrophobicContact CD2-CH2 4.32Å; F106-W113 AromaticContact CD2-CZ2 3.74Å; F106-W113 HydrophobicContact CD2-CZ2 3.74Å; F106-W113 AromaticContact CD2-NE1 3.59Å; F106-W113 HydrophobicContact CG-CD2 4.4Å; F106-W113 HydrophobicContact CG-CH2 4.2Å; F106-W113 HydrophobicContact CG-CZ2 4.04Å
114R98Very high97.6Very high121 Ų12156.8 Ų56.846%0.45730%0.303SS..EExtended strand (participates in β ladder)trans-137.2150.4160.669.3176.6-167.4-171.7-3.3110.7Q105 V116Q105-R114 HydrophobicContact CB-CG 3.86Å; Q105-R114 VanDerWaalsContact CD-NE 3.33Å; Q105-R114 VanDerWaalsContact CD-NH2 3.28Å; Q105-R114 PolarHBondContact N-O 2.98Å; Q105-R114 PolarHBondContact O-N 3.3Å; R114-V116 HydrophobicContact CG-CG2 4.46Å
115Q98Very high97.6Very high92 Ų9258 Ų5843%0.4331%0.312SS..EExtended strand (participates in β ladder)trans-86.2127.2165.3-71.2-179.4-12.200109.1Y69 V102 H104Y69-Q115 PolarHBondContact O-NE2 2.85Å; V102-Q115 HydrophobicContact CG1-CB 4.4Å; V102-Q115 HydrophobicContact CG1-CG 4.13Å; H104-Q115 PolarHBondContact NE2-NE2 2.78Å
116V98Very high97.6Very high11 Ų1157.7 Ų57.77%0.06731%0.311CS..EExtended strand (participates in β ladder)trans-91.7119.6178.3-178.60000107.9L103 Q105 R114 T118 N163L103-V116 HydrophobicContact CB-CB 4.2Å; L103-V116 HydrophobicContact CD2-CB 3.78Å; L103-V116 HydrophobicContact CD2-CG1 3.83Å; L103-V116 HydrophobicContact CD2-CG2 4.26Å; L103-V116 HydrophobicContact CG-CB 4.01Å; L103-V116 HydrophobicContact CG-CG2 4.34Å; L103-V116 PolarHBondContact O-N 2.79Å; Q105-V116 HydrophobicContact CB-CG2 3.73Å; R114-V116 HydrophobicContact CG-CG2 4.46Å; V116-T118 HydrophobicContact CG1-CG2 4.39Å; V116-T118 PolarHBondContact O-N 2.85Å; V116-N163 HydrophobicContact CG1-CB 4.02Å; V116-N163 VanDerWaalsContact CG1-CG 3.44Å; V116-N163 WeakPolarHBondContact CG1-OD1 3.34Å
117I97.2Very high97.5Very high157 Ų15758 Ų5881%0.80531%0.312SS*.  trans-71.7115.7174.3-57.2175.3000107.9N163I117-N163 WeakPolarHBondContact O-CB 3.13Å
118T97.8Very high97.5Very high31 Ų3156.1 Ų56.119%0.1930%0.303CS..  trans-106.2158.6176.458.10000111.5L103 V116 L158 N163L103-T118 HydrophobicContact CB-CG2 3.93Å; L103-T118 HydrophobicContact CD2-CG2 3.8Å; V116-T118 HydrophobicContact CG1-CG2 4.39Å; V116-T118 PolarHBondContact O-N 2.85Å; T118-L158 HydrophobicContact CG2-CD1 3.92Å; T118-N163 VanDerWaalsContact CA-O 3.22Å; T118-N163 WeakPolarHBondContact CA-O 3.34Å; T118-N163 HydrophobicContact CG2-CB 4.33Å
119K97.9Very high97.5Very high129 Ų12955.5 Ų55.556%0.56130%0.298SS*.EExtended strand (participates in β ladder)trans-140.8-178.517862.3-178.1177-178.70110.8N163 C164 W165K119-N163 PolarHBondContact N-O 2.92Å; K119-C164 HydrophobicContact CG-CB 4.24Å; K119-C164 WeakPolarHBondContact O-CA 3.44Å; K119-W165 PolarHBondContact O-N 2.98Å
120G97.9Very high97.6Very high50 Ų5047.8 Ų47.852%0.51527%0.266SS..EExtended strand (participates in β ladder)trans82.3-148.4179.700000112.2T122G120-T122 PolarHBondContact O-N 2.63Å; G120-T122 PolarHBondContact O-OG1 3.3Å
121D96.9Very high97.7Very high86 Ų8645.8 Ų45.846%0.4625%0.253SS..SBendtrans-76.663.4-175.7-53.2-34.9000110.5A123 Y156 W165 Q167D121-A123 PolarHBondContact O-N 2.9Å; D121-A123 VanDerWaalsContact O-N 3.1Å; D121-Y156 HydrophobicContact CB-CE1 4.47Å; D121-Y156 VanDerWaalsContact O-CD1 3.25Å; D121-Y156 WeakPolarHBondContact O-CD1 3.43Å; D121-Y156 VanDerWaalsContact O-CE1 3.27Å; D121-Y156 WeakPolarHBondContact O-CE1 3.45Å; D121-W165 PolarHBondContact N-O 2.96Å; D121-W165 VanDerWaalsContact O-CB 3.3Å; D121-W165 WeakPolarHBondContact O-CB 3.36Å; D121-Q167 HydrophobicContact CB-CB 4.22Å; D121-Q167 PolarHBondContact OD2-N 2.86Å
122T95.2Very high97.8Very high51 Ų5145 Ų4531%0.31324%0.244SC..PPolyproline II helixtrans-57.6119.9-173.8-59.50000109.7G120G120-T122 PolarHBondContact O-N 2.63Å; G120-T122 PolarHBondContact O-OG1 3.3Å
123A96.4Very high97.8Very high0 Ų043.2 Ų43.20%024%0.236CC..PPolyproline II helixtrans-58.5136.8-179.300000111.2W90 D121 I140 Y156W90-A123 HydrophobicContact CH2-CB 3.74Å; W90-A123 HydrophobicContact CZ2-CB 3.71Å; D121-A123 PolarHBondContact O-N 2.9Å; D121-A123 VanDerWaalsContact O-N 3.1Å; A123-I140 HydrophobicContact CB-CD1 3.65Å; A123-Y156 HydrophobicContact CB-CD1 3.76Å; A123-Y156 HydrophobicContact CB-CD2 3.94Å; A123-Y156 HydrophobicContact CB-CE1 4.08Å; A123-Y156 HydrophobicContact CB-CE2 4.26Å; A123-Y156 HydrophobicContact CB-CG 3.69Å
124P97.2Very high97.8Very high30 Ų3044.1 Ų44.120%0.19524%0.24CC..PPolyproline II helixtrans-53.6142.6171.7-29.232.2000113.2W90 R126 E145 F148W90-P124 WeakPolarHBondContact CH2-O 3.28Å; P124-R126 VanDerWaalsContact CD-NH2 3.34Å; P124-R126 PolarHBondContact O-N 2.9Å; P124-R126 PolarHBondContact O-NE 3.12Å; P124-E145 HydrophobicContact CB-CG 4.36Å; P124-E145 WeakPolarHBondContact CB-OE1 3.36Å; P124-F148 HydrophobicContact CB-CD2 4.4Å; P124-F148 HydrophobicContact CB-CE2 3.88Å; P124-F148 HydrophobicContact CG-CE2 3.92Å
125S98.2Very high97.7Very high31 Ų3143.6 Ų43.622%0.21725%0.246CC..PPolyproline II helixtrans-56.4130.7176.753.70000111.6A99 C100A99-S125 WeakPolarHBondContact O-CB 3.44Å; C100-S125 WeakPolarHBondContact O-CA 3.44Å
126R98.3Very high97.7Very high0 Ų041.6 Ų41.60%024%0.238CC..  trans-156.8161-173.764.8-171.573.6165.4-8.9113.4W90 G91 G92 P124 H129 G142 F144 E145W90-R126 HydrophobicContact CH2-CG 3.71Å; W90-R126 HydrophobicContact CZ3-CG 3.55Å; G91-R126 CarbonylContact C-O 3.51Å; G91-R126 WeakPolarHBondContact CA-O 3.48Å; G92-R126 PolarHBondContact N-O 3.23Å; P124-R126 VanDerWaalsContact CD-NH2 3.34Å; P124-R126 PolarHBondContact O-N 2.9Å; P124-R126 PolarHBondContact O-NE 3.12Å; R126-H129 HydrophobicContact CG-CB 4.18Å; R126-G142 WeakPolarHBondContact CD-O 3.29Å; R126-F144 WeakPolarHBondContact CA-O 3.36Å; R126-F144 WeakPolarHBondContact CB-O 3.3Å; R126-E145 HydrophobicContact CB-CG 4.23Å; R126-E145 IonicContact CZ-OE1 3.4Å; R126-E145 IonicContact NE-OE1 3.75Å; R126-E145 IonicContact NH2-OE1 3.8Å; R126-E145 PolarHBondContact NH2-OE1 3.43Å
127D98.2Very high97.7Very high7 Ų743.5 Ų43.54%0.03725%0.246CC..BIsolated β-bridgetrans-123.8164.3168.675.2-74.7000112.1G77 R93 H129 G143 F144 F180G77-D127 WeakPolarHBondContact O-CA 3.45Å; R93-D127 HydrophobicContact CB-CB 4.3Å; R93-D127 WeakPolarHBondContact CD-OD1 3.41Å; R93-D127 HydrophobicContact CG-CB 3.78Å; D127-H129 PolarHBondContact O-N 2.61Å; D127-G143 CarbonylContact O-C 3.5Å; D127-G143 WeakPolarHBondContact O-CA 3.38Å; D127-F144 PolarHBondContact N-O 2.85Å; D127-F144 VanDerWaalsContact N-O 3.16Å; D127-F144 PolarHBondContact O-N 2.79Å; D127-F180 WeakPolarHBondContact OD2-CZ 3.36Å
128G97.9Very high97.8Very high3 Ų336 Ų363%0.03121%0.208CC..SBendtrans66.511.7178.800000114.6G77 D179 F180G77-G128 PolarHBondContact O-N 3.3Å; G128-D179 CarbonylContact O-C 3.53Å; G128-D179 WeakPolarHBondContact O-CA 3.2Å; G128-F180 PolarHBondContact O-N 3.08Å
129H98.7Very high97.8Very high8 Ų834.6 Ų34.64%0.03720%0.199CC..  trans-69.9163.2167.966.2-75.1000109.9T79 W90 R126 D127 F141 G142T79-H129 VanDerWaalsContact CG2-NE2 3.33Å; T79-H129 WeakPolarHBondContact CG2-NE2 3.45Å; T79-H129 WeakPolarHBondContact CG2-O 3.45Å; T79-H129 PolarHBondContact OG1-NE2 2.84Å; W90-H129 AromaticContact CE3-CD2 3.99Å; W90-H129 AromaticContact CE3-CE1 3.61Å; W90-H129 AromaticContact CE3-NE2 3.4Å; W90-H129 AromaticContact CZ3-CE1 3.81Å; W90-H129 AromaticContact CZ3-NE2 3.82Å; W90-H129 PolarHBondContact O-CE1 2.97Å; W90-H129 VanDerWaalsContact O-CE1 3.29Å; W90-H129 PolarHBondContact O-NE2 3.43Å; R126-H129 HydrophobicContact CG-CB 4.18Å; D127-H129 PolarHBondContact O-N 2.61Å; H129-F141 WeakPolarHBondContact CA-O 3.49Å; H129-F141 WeakPolarHBondContact CB-O 3.3Å; H129-G142 VanDerWaalsContact CB-O 3.22Å; H129-G142 WeakPolarHBondContact CB-O 3.43Å
130S98.6Very high97.9Very high7 Ų728.5 Ų28.55%0.04917%0.172CC..EExtended strand (participates in β ladder)trans-103.5158.3168.662.70000110.5I140 F141 H181 A183S130-I140 VanDerWaalsContact O-CA 3.23Å; S130-I140 WeakPolarHBondContact O-CA 3.21Å; S130-F141 PolarHBondContact N-O 2.88Å; S130-F141 PolarHBondContact O-N 2.74Å; S130-F141 VanDerWaalsContact O-N 3.1Å; S130-H181 VanDerWaalsContact CB-NE2 3.28Å; S130-H181 WeakPolarHBondContact CB-NE2 3.42Å; S130-H181 PolarHBondContact OG-CD2 3.13Å; S130-H181 PolarHBondContact OG-NE2 3.36Å; S130-A183 VanDerWaalsContact CB-CB 3.5Å; S130-A183 WeakPolarHBondContact OG-CB 3.19Å
131A98.7Very high97.9Very high21 Ų2126.1 Ų26.117%0.17415%0.148CC..EExtended strand (participates in β ladder)trans-141.9146.2173.700000111.8T79 V81 M138 I139 I140T79-A131 HydrophobicContact CG2-CB 3.93Å; T79-A131 VanDerWaalsContact OG1-CB 3.25Å; T79-A131 WeakPolarHBondContact OG1-CB 3.28Å; V81-A131 HydrophobicContact CG1-CB 3.92Å; A131-M138 HydrophobicContact CB-CE 3.47Å; A131-M138 VanDerWaalsContact CB-CE 3.47Å; A131-M138 HydrophobicContact CB-CG 4.46Å; A131-I139 CarbonylContact C-O 3.54Å; A131-I139 WeakPolarHBondContact CA-O 3.34Å; A131-I140 HydrophobicContact CB-CG2 3.92Å
132C98.2Very high98Very high11 Ų1122 Ų227%0.07413%0.126CC..EExtended strand (participates in β ladder)trans-143.816917166.50000110.7M138 I139 M185C132-M138 WeakPolarHBondContact O-CA 3.12Å; C132-I139 PolarHBondContact N-O 2.8Å; C132-I139 PolarHBondContact O-N 3.32Å; C132-M185 HydrophobicContact CB-CG 3.64Å; C132-M185 HydrophobicContact CB-SD 4.4Å; C132-M185 VanDerWaalsContact SG-CG 3.6Å
133V98.2Very high98.1Very high48 Ų4819.6 Ų19.629%0.29111%0.111SC..EExtended strand (participates in β ladder)trans-106.7127.1173.3178.20000108.5V81 Y83 Q137 F160V81-V133 HydrophobicContact CB-CG2 3.72Å; V81-V133 HydrophobicContact CG1-CG2 4.18Å; V81-V133 HydrophobicContact CG2-CG2 4.02Å; Y83-V133 HydrophobicContact CD2-CG1 4.23Å; V133-Q137 WeakPolarHBondContact CA-O 3.48Å; V133-F160 HydrophobicContact CG1-CE2 4.28Å; V133-F160 HydrophobicContact CG2-CE2 4.22Å; V133-F160 HydrophobicContact CG2-CZ 4.45Å
134Y97.9Very high98.2Very high33 Ų3320.9 Ų20.913%0.12912%0.117CC..EExtended strand (participates in β ladder)trans-127.6121.5169.3-179.6-115.6000108.3D136 Q137 M185 D188 F219Y134-D136 PolarHBondContact O-N 2.99Å; Y134-Q137 PolarHBondContact N-O 2.85Å; Y134-Q137 PolarHBondContact O-N 3.02Å; Y134-M185 HydrophobicContact CD2-CE 3.64Å; Y134-M185 HydrophobicContact CE2-CE 4.39Å; Y134-M185 HydrophobicContact CG-CE 4.18Å; Y134-D188 HydrophobicContact CE2-CB 4.16Å; Y134-D188 VanDerWaalsContact CE2-OD1 3.28Å; Y134-D188 WeakPolarHBondContact CE2-OD1 3.47Å; Y134-D188 PolarHBondContact OH-OD1 2.84Å; Y134-F219 HydrophobicContact CD1-CB 3.92Å; Y134-F219 HydrophobicContact CD1-CD1 4.16Å; Y134-F219 AromaticContact CD1-CD2 3.65Å; Y134-F219 HydrophobicContact CD1-CD2 3.65Å; Y134-F219 HydrophobicContact CD1-CE2 4.19Å; Y134-F219 AromaticContact CD1-CG 3.64Å; Y134-F219 HydrophobicContact CD1-CG 3.64Å; Y134-F219 HydrophobicContact CD2-CD2 4.04Å; Y134-F219 HydrophobicContact CE1-CB 3.34Å; Y134-F219 HydrophobicContact CE1-CD1 4.39Å; Y134-F219 AromaticContact CE1-CD2 3.89Å; Y134-F219 HydrophobicContact CE1-CD2 3.89Å; Y134-F219 AromaticContact CE1-CG 3.64Å; Y134-F219 HydrophobicContact CE1-CG 3.64Å; Y134-F219 HydrophobicContact CE2-CD2 4.27Å; Y134-F219 AromaticContact CG-CD2 3.73Å; Y134-F219 HydrophobicContact CG-CD2 3.73Å; Y134-F219 HydrophobicContact CG-CE2 4.01Å; Y134-F219 HydrophobicContact CG-CG 4.22Å
135N96.5Very high98.2Very high110 Ų11019.5 Ų19.559%0.58811%0.108SC*.THydrogen-bonded Turntrans51.9-124.9-171-60.2-34.3000112Q137N135-Q137 VanDerWaalsContact C-N 3.33Å
136D98Very high98Very high50 Ų5020.5 Ų20.527%0.26711%0.109SC..THydrogen-bonded Turntrans-97.128.1176.7-67-53.3000112.3Y83 K84 Y134 F160 R161Y83-D136 HydrophobicContact CE2-CB 4.41Å; Y83-D136 WeakPolarHBondContact CE2-OD1 3.39Å; Y83-D136 PolarHBondContact OH-OD1 2.83Å; K84-D136 IonicContact NZ-OD1 2.8Å; Y134-D136 PolarHBondContact O-N 2.99Å; D136-F160 WeakPolarHBondContact O-CB 3.5Å; D136-F160 VanDerWaalsContact O-CD2 3.3Å; D136-F160 WeakPolarHBondContact O-CD2 3.47Å; D136-F160 PolarHBondContact O-N 2.92Å; D136-R161 HydrophobicContact CB-CG 4.09Å
137Q98.5Very high97.7Very high51 Ų5123.8 Ų23.824%0.23814%0.143CC..EExtended strand (participates in β ladder)trans-128.1141-177.4-55.6-177.8-72.800113.1V133 Y134 N135 I139 L158 D159V133-Q137 WeakPolarHBondContact CA-O 3.48Å; Y134-Q137 PolarHBondContact N-O 2.85Å; Y134-Q137 PolarHBondContact O-N 3.02Å; N135-Q137 VanDerWaalsContact C-N 3.33Å; Q137-I139 HydrophobicContact CB-CD1 3.92Å; Q137-L158 CarbonylContact C-O 3.43Å; Q137-L158 WeakPolarHBondContact CA-O 3.1Å; Q137-L158 WeakPolarHBondContact CB-O 3.3Å; Q137-D159 HydrophobicContact CG-CB 4.42Å
138M98.7Very high97.5Very high0 Ų029.1 Ų29.10%017%0.166CC..EExtended strand (participates in β ladder)trans-88.1119.4162.1179.9177-177.200108.3V81 W90 A131 C132 I140 A157 L158 F160V81-M138 HydrophobicContact CG1-CE 4.26Å; V81-M138 HydrophobicContact CG1-CG 4.5Å; V81-M138 HydrophobicContact CG2-CB 4.46Å; V81-M138 HydrophobicContact CG2-CE 4.09Å; V81-M138 HydrophobicContact CG2-CG 3.99Å; V81-M138 HydrophobicContact CG2-SD 3.71Å; W90-M138 HydrophobicContact CB-CE 4Å; A131-M138 HydrophobicContact CB-CE 3.47Å; A131-M138 VanDerWaalsContact CB-CE 3.47Å; A131-M138 HydrophobicContact CB-CG 4.46Å; C132-M138 WeakPolarHBondContact O-CA 3.12Å; M138-I140 HydrophobicContact CE-CG2 3.91Å; M138-I140 HydrophobicContact CG-CG2 4.26Å; M138-A157 CarbonylContact O-C 3.41Å; M138-A157 WeakPolarHBondContact O-CA 3.45Å; M138-L158 HydrophobicContact CB-CB 4.24Å; M138-L158 PolarHBondContact N-O 2.76Å; M138-L158 PolarHBondContact O-N 3.45Å; M138-F160 HydrophobicContact CB-CE1 4.18Å; M138-F160 HydrophobicContact CB-CE2 3.98Å; M138-F160 HydrophobicContact CB-CZ 3.56Å
139I98.7Very high97.3Very high1 Ų134.3 Ų34.31%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-100129.1175.1-46.7-57.6000108A131 C132 Q137 T155 Y156 A157 M190 F219A131-I139 CarbonylContact C-O 3.54Å; A131-I139 WeakPolarHBondContact CA-O 3.34Å; C132-I139 PolarHBondContact N-O 2.8Å; C132-I139 PolarHBondContact O-N 3.32Å; Q137-I139 HydrophobicContact CB-CD1 3.92Å; I139-T155 HydrophobicContact CG2-CG2 3.71Å; I139-Y156 CarbonylContact C-O 3.59Å; I139-Y156 WeakPolarHBondContact CA-O 3.32Å; I139-A157 HydrophobicContact CD1-CB 3.49Å; I139-A157 VanDerWaalsContact CD1-CB 3.49Å; I139-M190 HydrophobicContact CG2-CE 4.41Å; I139-M190 HydrophobicContact CG2-SD 4.08Å; I139-F219 HydrophobicContact CB-CZ 4.37Å; I139-F219 HydrophobicContact CD1-CE1 4.4Å; I139-F219 HydrophobicContact CG1-CE1 4.18Å; I139-F219 HydrophobicContact CG1-CZ 3.87Å; I139-F219 HydrophobicContact CG2-CE1 4.3Å; I139-F219 HydrophobicContact CG2-CZ 4.05Å
140I98.7Very high97.2Very high0 Ų038 Ų380%020%0.203CC..EExtended strand (participates in β ladder)trans-116.5146.2171.767170.5000110.6W90 A123 S130 A131 M138 T155 Y156 W165W90-I140 HydrophobicContact CE3-CD1 3.88Å; W90-I140 HydrophobicContact CE3-CG2 4.49Å; W90-I140 HydrophobicContact CH2-CD1 3.59Å; W90-I140 HydrophobicContact CZ2-CD1 4.27Å; W90-I140 HydrophobicContact CZ3-CD1 3.37Å; A123-I140 HydrophobicContact CB-CD1 3.65Å; S130-I140 VanDerWaalsContact O-CA 3.23Å; S130-I140 WeakPolarHBondContact O-CA 3.21Å; A131-I140 HydrophobicContact CB-CG2 3.92Å; M138-I140 HydrophobicContact CE-CG2 3.91Å; M138-I140 HydrophobicContact CG-CG2 4.26Å; I140-T155 WeakPolarHBondContact O-CA 3.42Å; I140-Y156 PolarHBondContact N-O 2.92Å; I140-Y156 PolarHBondContact O-N 2.94Å; I140-W165 HydrophobicContact CD1-CH2 4.01Å; I140-W165 HydrophobicContact CD1-CZ3 3.99Å; I140-W165 HydrophobicContact CG1-CH2 4.31Å; I140-W165 HydrophobicContact CG1-CZ3 3.99Å; I140-W165 HydrophobicContact CG2-CH2 4.13Å; I140-W165 HydrophobicContact CG2-CZ3 4.43Å
141F98.7Very high97.1Very high0 Ų037.7 Ų37.70%020%0.201CC..EExtended strand (participates in β ladder)trans-137.9139.7178.2177.6-103.1000111.8H129 S130 N153 T155 P175 R178 H181 M190 V192 W224H129-F141 WeakPolarHBondContact CA-O 3.49Å; H129-F141 WeakPolarHBondContact CB-O 3.3Å; S130-F141 PolarHBondContact N-O 2.88Å; S130-F141 PolarHBondContact O-N 2.74Å; S130-F141 VanDerWaalsContact O-N 3.1Å; F141-N153 HydrophobicContact CE2-CB 4.28Å; F141-N153 WeakPolarHBondContact CE2-O 3.45Å; F141-N153 HydrophobicContact CZ-CB 4.15Å; F141-T155 WeakPolarHBondContact CD2-OG1 3.06Å; F141-P175 HydrophobicContact CE1-CB 4.23Å; F141-P175 HydrophobicContact CE1-CG 4.14Å; F141-P175 HydrophobicContact CE2-CG 4.48Å; F141-P175 HydrophobicContact CZ-CB 3.86Å; F141-P175 HydrophobicContact CZ-CG 3.69Å; F141-R178 HydrophobicContact CE1-CG 4.39Å; F141-H181 AromaticContact CD1-CE1 3.95Å; F141-H181 AromaticContact CD1-NE2 3.39Å; F141-H181 WeakPolarHBondContact CD1-NE2 3.27Å; F141-H181 PolarHBondContact O-CE1 3.26Å; F141-H181 PolarHBondContact O-NE2 2.94Å; F141-M190 HydrophobicContact CB-CE 3.9Å; F141-M190 HydrophobicContact CG-CE 4.34Å; F141-V192 HydrophobicContact CD1-CG1 4.14Å; F141-V192 HydrophobicContact CD1-CG2 3.9Å; F141-V192 HydrophobicContact CE1-CG1 3.89Å; F141-V192 HydrophobicContact CE1-CG2 4.24Å; F141-W224 HydrophobicContact CD2-CH2 4.15Å; F141-W224 AromaticContact CD2-CZ2 3.68Å; F141-W224 HydrophobicContact CD2-CZ2 3.68Å; F141-W224 HydrophobicContact CE2-CH2 4.08Å; F141-W224 AromaticContact CE2-CZ2 3.53Å; F141-W224 HydrophobicContact CE2-CZ2 3.53Å; F141-W224 HydrophobicContact CG-CH2 4.41Å; F141-W224 HydrophobicContact CG-CZ2 4.36Å; F141-W224 HydrophobicContact CZ-CH2 4.35Å; F141-W224 HydrophobicContact CZ-CZ2 4.17Å
142G98.4Very high97.1Very high0 Ų036.8 Ų36.80%019%0.193CC..EExtended strand (participates in β ladder)trans59.2-146.7175.100000114R126 H129 S152 D154R126-G142 WeakPolarHBondContact CD-O 3.29Å; H129-G142 VanDerWaalsContact CB-O 3.22Å; H129-G142 WeakPolarHBondContact CB-O 3.43Å; G142-S152 WeakPolarHBondContact CA-O 3.48Å; G142-D154 PolarHBondContact N-O 2.63Å
143G98.3Very high97Very high0 Ų037.9 Ų37.90%020%0.198CC..EExtended strand (participates in β ladder)trans99.4173.4-174.100000112.8D127 S152 R178D127-G143 CarbonylContact O-C 3.5Å; D127-G143 WeakPolarHBondContact O-CA 3.38Å; G143-S152 PolarHBondContact O-N 3.1Å; G143-R178 PolarHBondContact N-O 2.87Å
144F97.8Very high97Very high28 Ų2837.3 Ų37.312%0.12319%0.193CC..EExtended strand (participates in β ladder)trans-100.1117.6175.8-175-99.5000110.2R126 D127 E146 F151 D179 H204R126-F144 WeakPolarHBondContact CA-O 3.36Å; R126-F144 WeakPolarHBondContact CB-O 3.3Å; D127-F144 PolarHBondContact N-O 2.85Å; D127-F144 VanDerWaalsContact N-O 3.16Å; D127-F144 PolarHBondContact O-N 2.79Å; F144-E146 PolarHBondContact O-N 2.98Å; F144-F151 AromaticContact CD2-CD1 3.94Å; F144-F151 HydrophobicContact CD2-CD1 3.94Å; F144-F151 AromaticContact CD2-CE1 3.96Å; F144-F151 HydrophobicContact CD2-CE1 3.96Å; F144-F151 HydrophobicContact CD2-CG 4.3Å; F144-F151 HydrophobicContact CD2-CZ 4.34Å; F144-D179 HydrophobicContact CB-CB 4.3Å; F144-H204 HydrophobicContact CE2-CB 4.41Å
145E97.6Very high97.1Very high0 Ų035.9 Ų35.90%019%0.188CC..EExtended strand (participates in β ladder)trans-88.595.2179-59.3-176.6145.800109.5P124 R126 G147 F148 Q149 R150P124-E145 HydrophobicContact CB-CG 4.36Å; P124-E145 WeakPolarHBondContact CB-OE1 3.36Å; R126-E145 HydrophobicContact CB-CG 4.23Å; R126-E145 IonicContact CZ-OE1 3.4Å; R126-E145 IonicContact NE-OE1 3.75Å; R126-E145 IonicContact NH2-OE1 3.8Å; R126-E145 PolarHBondContact NH2-OE1 3.43Å; E145-G147 VanDerWaalsContact C-N 3.28Å; E145-G147 PolarHBondContact O-N 2.96Å; E145-F148 HydrophobicContact CB-CB 4.31Å; E145-F148 HydrophobicContact CB-CD2 3.96Å; E145-F148 CarbonylContact O-C 3.58Å; E145-F148 PolarHBondContact O-N 3.23Å; E145-F148 WeakPolarHBondContact OE2-CD2 3.37Å; E145-Q149 PolarHBondContact O-N 2.84Å; E145-R150 HydrophobicContact CB-CG 4.38Å; E145-R150 PolarHBondContact N-O 3.43Å; E145-R150 PolarHBondContact O-N 3.2Å; E145-R150 IonicContact OE2-CZ 3.7Å; E145-R150 VanDerWaalsContact OE2-CZ 3.23Å; E145-R150 IonicContact OE2-NE 3.41Å; E145-R150 PolarHBondContact OE2-NE 2.93Å; E145-R150 IonicContact OE2-NH2 2.81Å; E145-R150 PolarHBondContact OE2-NH2 2.85Å
146E92.9Very high97.2Very high53 Ų5331.3 Ų31.325%0.24816%0.163CC..G310 helixtrans-55.6-41.4-174.7-179.3177.6-148.600113R93 G98 A99 F144 F148 Q149R93-E146 IonicContact CZ-OE1 3.5Å; R93-E146 IonicContact NH1-OE1 2.71Å; R93-E146 PolarHBondContact NH1-OE1 2.98Å; R93-E146 IonicContact NH1-OE2 3.23Å; R93-E146 PolarHBondContact NH1-OE2 3.46Å; R93-E146 VanDerWaalsContact NH1-OE2 3.14Å; G98-E146 WeakPolarHBondContact CA-OE2 3.33Å; A99-E146 HydrophobicContact CB-CB 3.91Å; A99-E146 WeakPolarHBondContact CB-OE2 3.38Å; A99-E146 PolarHBondContact N-OE2 2.71Å; F144-E146 PolarHBondContact O-N 2.98Å; E146-F148 PolarHBondContact O-N 2.97Å; E146-Q149 PolarHBondContact O-N 2.93Å; E146-Q149 VanDerWaalsContact O-N 3.16Å; E146-Q149 PolarHBondContact O-NE2 2.81Å
147G92.2Very high97.2Very high68 Ų6829 Ų2970%0.70115%0.15SC*.G310 helixtrans-62.1-26.8179.800000113.9E145E145-G147 VanDerWaalsContact C-N 3.28Å; E145-G147 PolarHBondContact O-N 2.96Å
148F93.8Very high97.2Very high119 Ų11926.5 Ų26.552%0.52214%0.139SC..G310 helixtrans-105.1-4.1178.6-61.1-65.6000113.2P124 E145 E146 R150P124-F148 HydrophobicContact CB-CD2 4.4Å; P124-F148 HydrophobicContact CB-CE2 3.88Å; P124-F148 HydrophobicContact CG-CE2 3.92Å; E145-F148 HydrophobicContact CB-CB 4.31Å; E145-F148 HydrophobicContact CB-CD2 3.96Å; E145-F148 CarbonylContact O-C 3.58Å; E145-F148 PolarHBondContact O-N 3.23Å; E145-F148 WeakPolarHBondContact OE2-CD2 3.37Å; E146-F148 PolarHBondContact O-N 2.97Å; F148-R150 VanDerWaalsContact C-N 3.26Å; F148-R150 HydrophobicContact CB-CG 3.8Å; F148-R150 PolarHBondContact O-N 2.99Å
149Q94Very high97.2Very high113 Ų11327 Ų2753%0.52814%0.141SC..THydrogen-bonded Turntrans5045-175.8-65-66.7-43.600112.8E145 E146E145-Q149 PolarHBondContact O-N 2.84Å; E146-Q149 PolarHBondContact O-N 2.93Å; E146-Q149 VanDerWaalsContact O-N 3.16Å; E146-Q149 PolarHBondContact O-NE2 2.81Å
150R96.4Very high97.2Very high84 Ų8427.7 Ų27.732%0.31714%0.144SC..EExtended strand (participates in β ladder)trans-140.8148.4-175.676.7-175.2-178.5154.99.4113.5E145 F148 D154 P202 F203E145-R150 HydrophobicContact CB-CG 4.38Å; E145-R150 PolarHBondContact N-O 3.43Å; E145-R150 PolarHBondContact O-N 3.2Å; E145-R150 IonicContact OE2-CZ 3.7Å; E145-R150 VanDerWaalsContact OE2-CZ 3.23Å; E145-R150 IonicContact OE2-NE 3.41Å; E145-R150 PolarHBondContact OE2-NE 2.93Å; E145-R150 IonicContact OE2-NH2 2.81Å; E145-R150 PolarHBondContact OE2-NH2 2.85Å; F148-R150 VanDerWaalsContact C-N 3.26Å; F148-R150 HydrophobicContact CB-CG 3.8Å; F148-R150 PolarHBondContact O-N 2.99Å; R150-D154 IonicContact NH2-OD2 2.97Å; R150-P202 CarbonylContact C-O 3.41Å; R150-P202 WeakPolarHBondContact CA-O 3.27Å; R150-P202 HydrophobicContact CB-CB 4.26Å; R150-P202 WeakPolarHBondContact CB-O 3.42Å; R150-F203 HydrophobicContact CB-CD1 4.1Å; R150-F203 HydrophobicContact CB-CE1 4.18Å
151F97.6Very high97.1Very high2 Ų235.7 Ų35.71%0.00917%0.174CC..EExtended strand (participates in β ladder)trans-70.5137.1160.5-58-75.3000109.4F144 W177 D179 R196 D198 P202 H204F144-F151 AromaticContact CD2-CD1 3.94Å; F144-F151 HydrophobicContact CD2-CD1 3.94Å; F144-F151 AromaticContact CD2-CE1 3.96Å; F144-F151 HydrophobicContact CD2-CE1 3.96Å; F144-F151 HydrophobicContact CD2-CG 4.3Å; F144-F151 HydrophobicContact CD2-CZ 4.34Å; F151-W177 HydrophobicContact CB-CB 3.63Å; F151-W177 WeakPolarHBondContact O-CB 3.34Å; F151-D179 HydrophobicContact CD1-CB 4.11Å; F151-D179 HydrophobicContact CE1-CB 4.28Å; F151-R196 HydrophobicContact CE1-CG 4.25Å; F151-R196 HydrophobicContact CZ-CG 4.25Å; F151-D198 HydrophobicContact CD2-CB 4.22Å; F151-D198 HydrophobicContact CE2-CB 3.84Å; F151-P202 WeakPolarHBondContact CD2-O 3.37Å; F151-P202 PolarHBondContact N-O 3.1Å; F151-H204 HydrophobicContact CE2-CB 3.93Å; F151-H204 HydrophobicContact CZ-CB 4.34Å
152S97.7Very high97.1Very high2 Ų239 Ų391%0.01419%0.192CC..EExtended strand (participates in β ladder)trans-104154175.8-179.20000110.7G142 G143 D154 W177 R178G142-S152 WeakPolarHBondContact CA-O 3.48Å; G143-S152 PolarHBondContact O-N 3.1Å; S152-D154 WeakPolarHBondContact OG-CB 3.37Å; S152-D154 PolarHBondContact OG-N 3.48Å; S152-D154 PolarHBondContact OG-OD2 2.85Å; S152-D154 VanDerWaalsContact OG-OD2 3.14Å; S152-W177 WeakPolarHBondContact O-CA 3.17Å; S152-R178 PolarHBondContact O-N 2.76Å; S152-R178 VanDerWaalsContact O-N 3.12Å
153N97.4Very high97Very high33 Ų3341 Ų4118%0.17620%0.203CC..EExtended strand (participates in β ladder)trans-123.519.1160.865.4-14.9000111.1F141 P175 W177F141-N153 HydrophobicContact CE2-CB 4.28Å; F141-N153 WeakPolarHBondContact CE2-O 3.45Å; F141-N153 HydrophobicContact CZ-CB 4.15Å; N153-P175 VanDerWaalsContact CB-O 3.24Å; N153-P175 WeakPolarHBondContact CB-O 2.81Å; N153-P175 PolarHBondContact ND2-O 3.29Å; N153-W177 HydrophobicContact CB-CE3 4.12Å; N153-W177 WeakPolarHBondContact ND2-CZ3 3.39Å; N153-W177 VanDerWaalsContact OD1-CZ3 3.26Å; N153-W177 WeakPolarHBondContact OD1-CZ3 3.48Å
154D97.9Very high97Very high36 Ų3641.8 Ų41.819%0.19321%0.208CC..EExtended strand (participates in β ladder)trans-74.1149.4179.3-62.1-42.7000110.5G142 R150 S152 Y156G142-D154 PolarHBondContact N-O 2.63Å; R150-D154 IonicContact NH2-OD2 2.97Å; S152-D154 WeakPolarHBondContact OG-CB 3.37Å; S152-D154 PolarHBondContact OG-N 3.48Å; S152-D154 PolarHBondContact OG-OD2 2.85Å; S152-D154 VanDerWaalsContact OG-OD2 3.14Å; D154-Y156 HydrophobicContact CB-CD2 4.12Å; D154-Y156 HydrophobicContact CB-CE2 3.57Å
155T98.5Very high97.1Very high3 Ų340.5 Ų40.52%0.01820%0.202CC..EExtended strand (participates in β ladder)trans-114.4130.7174.6-48.90000109.5I139 I140 F141 L168 L217I139-T155 HydrophobicContact CG2-CG2 3.71Å; I140-T155 WeakPolarHBondContact O-CA 3.42Å; F141-T155 WeakPolarHBondContact CD2-OG1 3.06Å; T155-L168 HydrophobicContact CG2-CB 4.21Å; T155-L168 HydrophobicContact CG2-CD1 3.9Å; T155-L168 HydrophobicContact CG2-CG 4.36Å; T155-L168 PolarHBondContact O-N 2.91Å; T155-L217 HydrophobicContact CG2-CD2 4.08Å
156Y98.7Very high97.1Very high15 Ų1544 Ų446%0.05922%0.219CC..EExtended strand (participates in β ladder)trans-127.7146.7175.9-71.2-104.8000110D121 A123 I139 I140 D154 H166 Q167D121-Y156 HydrophobicContact CB-CE1 4.47Å; D121-Y156 VanDerWaalsContact O-CD1 3.25Å; D121-Y156 WeakPolarHBondContact O-CD1 3.43Å; D121-Y156 VanDerWaalsContact O-CE1 3.27Å; D121-Y156 WeakPolarHBondContact O-CE1 3.45Å; A123-Y156 HydrophobicContact CB-CD1 3.76Å; A123-Y156 HydrophobicContact CB-CD2 3.94Å; A123-Y156 HydrophobicContact CB-CE1 4.08Å; A123-Y156 HydrophobicContact CB-CE2 4.26Å; A123-Y156 HydrophobicContact CB-CG 3.69Å; I139-Y156 CarbonylContact C-O 3.59Å; I139-Y156 WeakPolarHBondContact CA-O 3.32Å; I140-Y156 PolarHBondContact N-O 2.92Å; I140-Y156 PolarHBondContact O-N 2.94Å; D154-Y156 HydrophobicContact CB-CD2 4.12Å; D154-Y156 HydrophobicContact CB-CE2 3.57Å; Y156-H166 CarbonylContact C-O 3.53Å; Y156-H166 WeakPolarHBondContact CA-O 3.06Å; Y156-Q167 HydrophobicContact CD1-CB 3.9Å; Y156-Q167 HydrophobicContact CD1-CG 4.25Å; Y156-Q167 HydrophobicContact CE1-CB 3.62Å; Y156-Q167 HydrophobicContact CE1-CG 3.84Å; Y156-Q167 HydrophobicContact CE2-CG 4.17Å; Y156-Q167 PolarHBondContact OH-OE1 3.17Å
157A98.6Very high97.4Very high0 Ų044.2 Ų44.20%022%0.22CC..EExtended strand (participates in β ladder)trans-122.3124.8176.100000110.2M138 I139 W165 H166 L168M138-A157 CarbonylContact O-C 3.41Å; M138-A157 WeakPolarHBondContact O-CA 3.45Å; I139-A157 HydrophobicContact CD1-CB 3.49Å; I139-A157 VanDerWaalsContact CD1-CB 3.49Å; A157-W165 CarbonylContact O-C 3.53Å; A157-W165 WeakPolarHBondContact O-CA 3.13Å; A157-H166 PolarHBondContact N-O 3.35Å; A157-H166 PolarHBondContact O-N 3.11Å; A157-L168 HydrophobicContact CB-CD1 4.08Å; A157-L168 HydrophobicContact CB-CD2 3.94Å; A157-L168 HydrophobicContact CB-CG 4.01Å
158L98.7Very high97.7Very high0 Ų042.7 Ų42.70%020%0.195CC..EExtended strand (participates in β ladder)trans-96.5119.9167.8173.375.7000108.9L103 T118 Q137 M138 F160 C164 W165L103-L158 HydrophobicContact CD1-CD2 4.3Å; L103-L158 HydrophobicContact CD2-CD2 3.3Å; L103-L158 HydrophobicContact CG-CD2 4.43Å; T118-L158 HydrophobicContact CG2-CD1 3.92Å; Q137-L158 CarbonylContact C-O 3.43Å; Q137-L158 WeakPolarHBondContact CA-O 3.1Å; Q137-L158 WeakPolarHBondContact CB-O 3.3Å; M138-L158 HydrophobicContact CB-CB 4.24Å; M138-L158 PolarHBondContact N-O 2.76Å; M138-L158 PolarHBondContact O-N 3.45Å; L158-F160 HydrophobicContact CD2-CD1 4.29Å; L158-F160 HydrophobicContact CD2-CE1 4.27Å; L158-F160 PolarHBondContact O-N 2.86Å; L158-C164 WeakPolarHBondContact CA-O 3.48Å; L158-W165 HydrophobicContact CB-CD2 3.71Å; L158-W165 HydrophobicContact CB-CE3 3.6Å; L158-W165 HydrophobicContact CB-CG 4.49Å; L158-W165 HydrophobicContact CB-CH2 3.71Å; L158-W165 HydrophobicContact CB-CZ2 3.82Å; L158-W165 HydrophobicContact CB-CZ3 3.6Å; L158-W165 HydrophobicContact CD1-CD2 3.98Å; L158-W165 HydrophobicContact CD1-CG 4.01Å; L158-W165 HydrophobicContact CD1-CZ2 4.4Å; L158-W165 HydrophobicContact CD2-CZ2 4.19Å; L158-W165 HydrophobicContact CG-CD2 4.42Å; L158-W165 HydrophobicContact CG-CZ2 4.37Å
159D98.5Very high97.8Very high11 Ų1143.1 Ų43.16%0.05920%0.199CC..EExtended strand (participates in β ladder)trans-78.3114.4168.5-175.8-20.7000110.6Q137 R161 N162 N163 C164Q137-D159 HydrophobicContact CG-CB 4.42Å; D159-R161 PolarHBondContact O-N 2.9Å; D159-R161 WeakPolarHBondContact OD1-CB 3.37Å; D159-R161 WeakPolarHBondContact OD1-CG 3.31Å; D159-R161 IonicContact OD1-CZ 2.72Å; D159-R161 PolarHBondContact OD1-N 2.8Å; D159-R161 IonicContact OD1-NE 3.39Å; D159-R161 PolarHBondContact OD1-NE 2.74Å; D159-R161 IonicContact OD1-NH2 3.12Å; D159-R161 IonicContact OD2-CZ 3.84Å; D159-R161 IonicContact OD2-NE 3.88Å; D159-R161 PolarHBondContact OD2-NE 2.77Å; D159-R161 IonicContact OD2-NH2 2.88Å; D159-R161 PolarHBondContact OD2-NH2 3.03Å; D159-N162 WeakPolarHBondContact CB-OD1 3.46Å; D159-N162 PolarHBondContact O-N 3.45Å; D159-N162 PolarHBondContact O-OD1 3.28Å; D159-N163 VanDerWaalsContact O-CA 3.27Å; D159-N163 WeakPolarHBondContact O-CA 3.46Å; D159-N163 PolarHBondContact O-N 3.44Å; D159-C164 PolarHBondContact N-O 3.47Å; D159-C164 PolarHBondContact O-N 3.09Å
160F98.4Very high98Very high14 Ų1439.1 Ų39.16%0.06118%0.182CC..THydrogen-bonded Turntrans-65.1-19.3-178.6-71.9-64.2000113.5V81 Y83 Y88 V133 D136 M138 L158V81-F160 HydrophobicContact CG2-CZ 4.04Å; Y83-F160 HydrophobicContact CD1-CB 3.82Å; Y83-F160 AromaticContact CD1-CD1 4Å; Y83-F160 HydrophobicContact CD1-CD1 4Å; Y83-F160 AromaticContact CD1-CD2 3.66Å; Y83-F160 HydrophobicContact CD1-CD2 3.66Å; Y83-F160 HydrophobicContact CD1-CE1 4.43Å; Y83-F160 HydrophobicContact CD1-CE2 4.14Å; Y83-F160 AromaticContact CD1-CG 3.58Å; Y83-F160 HydrophobicContact CD1-CG 3.58Å; Y83-F160 HydrophobicContact CD1-CZ 4.47Å; Y83-F160 AromaticContact CD2-CD2 3.65Å; Y83-F160 HydrophobicContact CD2-CD2 3.65Å; Y83-F160 AromaticContact CD2-CE2 3.84Å; Y83-F160 HydrophobicContact CD2-CE2 3.84Å; Y83-F160 HydrophobicContact CD2-CG 4.41Å; Y83-F160 HydrophobicContact CE1-CB 3.39Å; Y83-F160 HydrophobicContact CE1-CD1 4.44Å; Y83-F160 AromaticContact CE1-CD2 3.88Å; Y83-F160 HydrophobicContact CE1-CD2 3.88Å; Y83-F160 AromaticContact CE1-CG 3.69Å; Y83-F160 HydrophobicContact CE1-CG 3.69Å; Y83-F160 AromaticContact CE2-CD2 3.86Å; Y83-F160 HydrophobicContact CE2-CD2 3.86Å; Y83-F160 HydrophobicContact CE2-CE2 4.48Å; Y83-F160 HydrophobicContact CG-CD1 4.43Å; Y83-F160 AromaticContact CG-CD2 3.55Å; Y83-F160 HydrophobicContact CG-CD2 3.55Å; Y83-F160 HydrophobicContact CG-CE1 4.5Å; Y83-F160 AromaticContact CG-CE2 3.65Å; Y83-F160 HydrophobicContact CG-CE2 3.65Å; Y83-F160 AromaticContact CG-CG 3.96Å; Y83-F160 HydrophobicContact CG-CG 3.96Å; Y83-F160 HydrophobicContact CG-CZ 4.11Å; Y83-F160 AromaticContact CZ-CD2 3.96Å; Y88-F160 HydrophobicContact CD1-CD1 4.27Å; Y88-F160 AromaticContact CD1-CE1 3.8Å; Y88-F160 HydrophobicContact CD1-CE1 3.8Å; Y88-F160 HydrophobicContact CD2-CD1 4.49Å; Y88-F160 AromaticContact CD2-CE1 3.74Å; Y88-F160 HydrophobicContact CD2-CE1 3.74Å; Y88-F160 HydrophobicContact CD2-CZ 4.27Å; Y88-F160 AromaticContact CE1-CD1 3.88Å; Y88-F160 HydrophobicContact CE1-CD1 3.88Å; Y88-F160 AromaticContact CE1-CE1 3.86Å; Y88-F160 HydrophobicContact CE1-CE1 3.86Å; Y88-F160 HydrophobicContact CE2-CD1 4.14Å; Y88-F160 AromaticContact CE2-CE1 3.83Å; Y88-F160 HydrophobicContact CE2-CE1 3.83Å; Y88-F160 AromaticContact CG-CE1 3.71Å; Y88-F160 HydrophobicContact CG-CE1 3.71Å; Y88-F160 HydrophobicContact CG-CZ 4.46Å; Y88-F160 AromaticContact CZ-CD1 3.78Å; Y88-F160 AromaticContact CZ-CE1 3.85Å; V133-F160 HydrophobicContact CG1-CE2 4.28Å; V133-F160 HydrophobicContact CG2-CE2 4.22Å; V133-F160 HydrophobicContact CG2-CZ 4.45Å; D136-F160 WeakPolarHBondContact O-CB 3.5Å; D136-F160 VanDerWaalsContact O-CD2 3.3Å; D136-F160 WeakPolarHBondContact O-CD2 3.47Å; D136-F160 PolarHBondContact O-N 2.92Å; M138-F160 HydrophobicContact CB-CE1 4.18Å; M138-F160 HydrophobicContact CB-CE2 3.98Å; M138-F160 HydrophobicContact CB-CZ 3.56Å; L158-F160 HydrophobicContact CD2-CD1 4.29Å; L158-F160 HydrophobicContact CD2-CE1 4.27Å; L158-F160 PolarHBondContact O-N 2.86Å
161R97.4Very high98.1Very high168 Ų16841.4 Ų41.463%0.63420%0.197SC*.THydrogen-bonded Turntrans-76.7-30.1-175.9-57.3170.5-65-176.94.1112D136 D159D136-R161 HydrophobicContact CB-CG 4.09Å; D159-R161 PolarHBondContact O-N 2.9Å; D159-R161 WeakPolarHBondContact OD1-CB 3.37Å; D159-R161 WeakPolarHBondContact OD1-CG 3.31Å; D159-R161 IonicContact OD1-CZ 2.72Å; D159-R161 PolarHBondContact OD1-N 2.8Å; D159-R161 IonicContact OD1-NE 3.39Å; D159-R161 PolarHBondContact OD1-NE 2.74Å; D159-R161 IonicContact OD1-NH2 3.12Å; D159-R161 IonicContact OD2-CZ 3.84Å; D159-R161 IonicContact OD2-NE 3.88Å; D159-R161 PolarHBondContact OD2-NE 2.77Å; D159-R161 IonicContact OD2-NH2 2.88Å; D159-R161 PolarHBondContact OD2-NH2 3.03Å
162N97.6Very high98.1Very high71 Ų7144.1 Ų44.138%0.3823%0.225SC..THydrogen-bonded Turntrans-129.62-175.865.813.1000113.7D159 C164D159-N162 WeakPolarHBondContact CB-OD1 3.46Å; D159-N162 PolarHBondContact O-N 3.45Å; D159-N162 PolarHBondContact O-OD1 3.28Å; N162-C164 PolarHBondContact O-N 2.87Å; N162-C164 WeakPolarHBondContact OD1-CB 3.21Å; N162-C164 PolarHBondContact OD1-N 3.2Å
163N97.8Very high98Very high42 Ų4249.7 Ų49.723%0.22526%0.259CS..THydrogen-bonded Turntrans52.939.1-176.3-54.9-46.1000112.8V116 I117 T118 K119 D159V116-N163 HydrophobicContact CG1-CB 4.02Å; V116-N163 VanDerWaalsContact CG1-CG 3.44Å; V116-N163 WeakPolarHBondContact CG1-OD1 3.34Å; I117-N163 WeakPolarHBondContact O-CB 3.13Å; T118-N163 VanDerWaalsContact CA-O 3.22Å; T118-N163 WeakPolarHBondContact CA-O 3.34Å; T118-N163 HydrophobicContact CG2-CB 4.33Å; K119-N163 PolarHBondContact N-O 2.92Å; D159-N163 VanDerWaalsContact O-CA 3.27Å; D159-N163 WeakPolarHBondContact O-CA 3.46Å; D159-N163 PolarHBondContact O-N 3.44Å
164C98.5Very high97.9Very high16 Ų1649.7 Ų49.711%0.10826%0.264CS..EExtended strand (participates in β ladder)trans-105.1123.9-179.9-162.60000110.5K119 L158 D159 N162K119-C164 HydrophobicContact CG-CB 4.24Å; K119-C164 WeakPolarHBondContact O-CA 3.44Å; L158-C164 WeakPolarHBondContact CA-O 3.48Å; D159-C164 PolarHBondContact N-O 3.47Å; D159-C164 PolarHBondContact O-N 3.09Å; N162-C164 PolarHBondContact O-N 2.87Å; N162-C164 WeakPolarHBondContact OD1-CB 3.21Å; N162-C164 PolarHBondContact OD1-N 3.2Å
165W98.7Very high97.9Very high0 Ų048 Ų480%026%0.255CS..EExtended strand (participates in β ladder)trans-79.3145.4168.8-73.2104.3000110.7W90 K119 D121 I140 A157 L158W90-W165 AromaticContact CD1-CZ2 3.86Å; W90-W165 HydrophobicContact CD2-CZ2 4.3Å; W90-W165 HydrophobicContact CG-CZ2 4.18Å; W90-W165 AromaticContact NE1-CZ2 3.77Å; K119-W165 PolarHBondContact O-N 2.98Å; D121-W165 PolarHBondContact N-O 2.96Å; D121-W165 VanDerWaalsContact O-CB 3.3Å; D121-W165 WeakPolarHBondContact O-CB 3.36Å; I140-W165 HydrophobicContact CD1-CH2 4.01Å; I140-W165 HydrophobicContact CD1-CZ3 3.99Å; I140-W165 HydrophobicContact CG1-CH2 4.31Å; I140-W165 HydrophobicContact CG1-CZ3 3.99Å; I140-W165 HydrophobicContact CG2-CH2 4.13Å; I140-W165 HydrophobicContact CG2-CZ3 4.43Å; A157-W165 CarbonylContact O-C 3.53Å; A157-W165 WeakPolarHBondContact O-CA 3.13Å; L158-W165 HydrophobicContact CB-CD2 3.71Å; L158-W165 HydrophobicContact CB-CE3 3.6Å; L158-W165 HydrophobicContact CB-CG 4.49Å; L158-W165 HydrophobicContact CB-CH2 3.71Å; L158-W165 HydrophobicContact CB-CZ2 3.82Å; L158-W165 HydrophobicContact CB-CZ3 3.6Å; L158-W165 HydrophobicContact CD1-CD2 3.98Å; L158-W165 HydrophobicContact CD1-CG 4.01Å; L158-W165 HydrophobicContact CD1-CZ2 4.4Å; L158-W165 HydrophobicContact CD2-CZ2 4.19Å; L158-W165 HydrophobicContact CG-CD2 4.42Å; L158-W165 HydrophobicContact CG-CZ2 4.37Å
166H98.3Very high97.7Very high73 Ų7350.7 Ų50.734%0.33827%0.271SS..EExtended strand (participates in β ladder)trans-133.6131.3171.1-63.6-69.6000108.5Y156 A157 L168Y156-H166 CarbonylContact C-O 3.53Å; Y156-H166 WeakPolarHBondContact CA-O 3.06Å; A157-H166 PolarHBondContact N-O 3.35Å; A157-H166 PolarHBondContact O-N 3.11Å; H166-L168 PolarHBondContact O-N 2.88Å
167Q98.3Very high97.7Very high58 Ų5854.5 Ų54.527%0.27129%0.286SS..EExtended strand (participates in β ladder)trans-76.3123.1166.7-171.1169.81.800108.3D121 Y156 H169D121-Q167 HydrophobicContact CB-CB 4.22Å; D121-Q167 PolarHBondContact OD2-N 2.86Å; Y156-Q167 HydrophobicContact CD1-CB 3.9Å; Y156-Q167 HydrophobicContact CD1-CG 4.25Å; Y156-Q167 HydrophobicContact CE1-CB 3.62Å; Y156-Q167 HydrophobicContact CE1-CG 3.84Å; Y156-Q167 HydrophobicContact CE2-CG 4.17Å; Y156-Q167 PolarHBondContact OH-OE1 3.17Å; Q167-H169 PolarHBondContact O-CE1 3.36Å; Q167-H169 PolarHBondContact O-ND1 2.79Å
168L98Very high97.6Very high36 Ų3654.6 Ų54.619%0.18829%0.286CS..EExtended strand (participates in β ladder)trans-83.3145.4173.3-56.3-171.5000108.7T155 A157 H166 P170 F219T155-L168 HydrophobicContact CG2-CB 4.21Å; T155-L168 HydrophobicContact CG2-CD1 3.9Å; T155-L168 HydrophobicContact CG2-CG 4.36Å; T155-L168 PolarHBondContact O-N 2.91Å; A157-L168 HydrophobicContact CB-CD1 4.08Å; A157-L168 HydrophobicContact CB-CD2 3.94Å; A157-L168 HydrophobicContact CB-CG 4.01Å; H166-L168 PolarHBondContact O-N 2.88Å; L168-P170 VanDerWaalsContact C-CD 3.45Å; L168-P170 HydrophobicContact CB-CG 4.43Å; L168-P170 WeakPolarHBondContact O-CD 3.38Å; L168-F219 HydrophobicContact CD1-CE1 4.4Å
169H97.6Very high97.6Very high129 Ų12954.6 Ų54.660%0.59729%0.286SS*.  trans-121.177.1174.1-57.987.9000108.2Q167 N222Q167-H169 PolarHBondContact O-CE1 3.36Å; Q167-H169 PolarHBondContact O-ND1 2.79Å; H169-N222 PolarHBondContact O-ND2 2.78Å
170P98Very high97.5Very high28 Ų2855 Ų5518%0.18229%0.287CS..  trans-65.1144178.1-21.935.3000111.9L168 L217 N222L168-P170 VanDerWaalsContact C-CD 3.45Å; L168-P170 HydrophobicContact CB-CG 4.43Å; L168-P170 WeakPolarHBondContact O-CD 3.38Å; P170-L217 HydrophobicContact CB-CD1 3.59Å; P170-L217 HydrophobicContact CG-CD1 3.84Å; P170-L217 HydrophobicContact CG-CD2 4.05Å; P170-N222 CarbonylContact C-O 3.51Å; P170-N222 WeakPolarHBondContact CA-O 3.38Å; P170-N222 WeakPolarHBondContact CB-O 3.45Å
171E98.2Very high97.5Very high133 Ų13354.9 Ų54.962%0.62129%0.287SS*.BIsolated β-bridgetrans-76.4167.5172.1-62.5-64.4156.300111.1N222 S223 W224E171-N222 PolarHBondContact N-O 2.89Å; E171-S223 WeakPolarHBondContact O-CA 3.47Å; E171-W224 PolarHBondContact O-N 3.21Å
172G96.4Very high97.4Very high59 Ų5947.6 Ų47.661%0.60826%0.261SS*.SBendtrans78.1-175.2-178.500000113.8A174G172-A174 PolarHBondContact O-N 2.87Å
173T96.5Very high97.4Very high119 Ų11944.9 Ų44.973%0.7325%0.248SC*.  trans-84.3109.5-177.8-55.30000109.7M215 W224T173-M215 WeakPolarHBondContact O-CE 3.45Å; T173-W224 WeakPolarHBondContact O-CB 3.5Å
174A96.3Very high97.3Very high32 Ų3243.5 Ų43.526%0.26424%0.241SC..PPolyproline II helixtrans-64.5154.4174.100000112G172 W224G172-A174 PolarHBondContact O-N 2.87Å; A174-W224 HydrophobicContact CB-CG 4.38Å
175P96.6Very high97.2Very high1 Ų144.4 Ų44.41%0.00625%0.245CC..PPolyproline II helixtrans-56.2146.6170-16.725.8000110.8F141 N153 M215 W224F141-P175 HydrophobicContact CE1-CB 4.23Å; F141-P175 HydrophobicContact CE1-CG 4.14Å; F141-P175 HydrophobicContact CE2-CG 4.48Å; F141-P175 HydrophobicContact CZ-CB 3.86Å; F141-P175 HydrophobicContact CZ-CG 3.69Å; N153-P175 VanDerWaalsContact CB-O 3.24Å; N153-P175 WeakPolarHBondContact CB-O 2.81Å; N153-P175 PolarHBondContact ND2-O 3.29Å; P175-M215 VanDerWaalsContact CA-SD 3.52Å; P175-M215 HydrophobicContact CB-SD 3.67Å; P175-M215 HydrophobicContact CG-CB 4.05Å; P175-M215 HydrophobicContact CG-CE 4.41Å; P175-M215 HydrophobicContact CG-CG 4.42Å; P175-M215 HydrophobicContact CG-SD 3.64Å; P175-W224 VanDerWaalsContact CD-CD2 3.47Å; P175-W224 HydrophobicContact CG-CD2 4.19Å; P175-W224 HydrophobicContact CG-CE3 3.8Å; P175-W224 HydrophobicContact CG-CH2 4.01Å; P175-W224 HydrophobicContact CG-CZ2 4.36Å; P175-W224 HydrophobicContact CG-CZ3 3.71Å
176V95.7Very high97.1Very high60 Ų6045.8 Ų45.836%0.36425%0.252SS..PPolyproline II helixtrans-54.9149.6175-61.30000111.7R178 N211V176-R178 VanDerWaalsContact N-NH2 3.16Å; V176-R178 PolarHBondContact O-N 3.17Å; V176-R178 PolarHBondContact O-NE 2.88Å; V176-R178 PolarHBondContact O-NH2 3.01Å; V176-N211 HydrophobicContact CG2-CB 4.36Å
177W97.1Very high96.9Very high95 Ų9553 Ų5336%0.3628%0.276SS..SBendtrans-47130.6175.3-4.186.6000111.3F151 S152 N153 S197 G201 P202F151-W177 HydrophobicContact CB-CB 3.63Å; F151-W177 WeakPolarHBondContact O-CB 3.34Å; S152-W177 WeakPolarHBondContact O-CA 3.17Å; N153-W177 HydrophobicContact CB-CE3 4.12Å; N153-W177 WeakPolarHBondContact ND2-CZ3 3.39Å; N153-W177 VanDerWaalsContact OD1-CZ3 3.26Å; N153-W177 WeakPolarHBondContact OD1-CZ3 3.48Å; W177-S197 VanDerWaalsContact O-CB 3.26Å; W177-S197 WeakPolarHBondContact O-CB 3.05Å; W177-S197 PolarHBondContact O-OG 3.36Å; W177-G201 VanDerWaalsContact CD1-O 3.31Å; W177-P202 HydrophobicContact CB-CB 4.48Å; W177-P202 HydrophobicContact CD2-CB 3.99Å; W177-P202 HydrophobicContact CE3-CB 4.38Å; W177-P202 HydrophobicContact CG-CB 4Å
178R97.8Very high96.8Very high2 Ų253.3 Ų53.31%0.00828%0.279CS..  trans-161157.5-173.663.5-173.372.5-150.56.2114.9F141 G143 S152 V176 H181 G194 R196F141-R178 HydrophobicContact CE1-CG 4.39Å; G143-R178 PolarHBondContact N-O 2.87Å; S152-R178 PolarHBondContact O-N 2.76Å; S152-R178 VanDerWaalsContact O-N 3.12Å; V176-R178 VanDerWaalsContact N-NH2 3.16Å; V176-R178 PolarHBondContact O-N 3.17Å; V176-R178 PolarHBondContact O-NE 2.88Å; V176-R178 PolarHBondContact O-NH2 3.01Å; R178-H181 HydrophobicContact CG-CB 4.32Å; R178-G194 WeakPolarHBondContact CD-O 3.36Å; R178-G194 PolarHBondContact NH1-O 2.8Å; R178-R196 CarbonylContact C-O 3.52Å; R178-R196 WeakPolarHBondContact CA-O 3.49Å; R178-R196 WeakPolarHBondContact CB-O 3.42Å
179D97.7Very high96.8Very high0 Ų056 Ų560%029%0.287CS..EExtended strand (participates in β ladder)trans-126.4169166.874.4-5.6000112.2G128 F144 F151 H181 G195 R196G128-D179 CarbonylContact O-C 3.53Å; G128-D179 WeakPolarHBondContact O-CA 3.2Å; F144-D179 HydrophobicContact CB-CB 4.3Å; F151-D179 HydrophobicContact CD1-CB 4.11Å; F151-D179 HydrophobicContact CE1-CB 4.28Å; D179-H181 PolarHBondContact O-N 2.96Å; D179-G195 CarbonylContact O-C 3.55Å; D179-G195 WeakPolarHBondContact O-CA 3.49Å; D179-R196 PolarHBondContact N-O 2.95Å; D179-R196 PolarHBondContact O-N 3.34Å; D179-R196 WeakPolarHBondContact OD1-CB 3.07Å; D179-R196 IonicContact OD1-CZ 3.83Å; D179-R196 IonicContact OD1-NE 3.74Å; D179-R196 PolarHBondContact OD1-NE 3.33Å; D179-R196 IonicContact OD1-NH2 2.79Å; D179-R196 IonicContact OD2-CZ 3.77Å; D179-R196 IonicContact OD2-NE 2.66Å; D179-R196 PolarHBondContact OD2-NE 2.85Å; D179-R196 IonicContact OD2-NH2 3.14Å; D179-R196 PolarHBondContact OD2-NH2 3.42Å
180F96.9Very high96.9Very high19 Ų1949.8 Ų49.88%0.08326%0.258CS..EExtended strand (participates in β ladder)trans49.332.5179.2-63.9-71.5000114.4Y76 D127 G128 R238 S239Y76-F180 HydrophobicContact CD2-CZ 4.49Å; Y76-F180 HydrophobicContact CE2-CZ 4.45Å; D127-F180 WeakPolarHBondContact OD2-CZ 3.36Å; G128-F180 PolarHBondContact O-N 3.08Å; F180-R238 HydrophobicContact CB-CB 3.83Å; F180-R238 HydrophobicContact CB-CG 4.49Å; F180-R238 CarbonylContact O-C 3.52Å; F180-R238 WeakPolarHBondContact O-CA 3.46Å; F180-S239 PolarHBondContact O-N 3.39Å
181H97.2Very high96.8Very high12 Ų1250.2 Ų50.26%0.05626%0.256CS..EExtended strand (participates in β ladder)trans-85-180168.961.6-80.1000109.8S130 F141 R178 D179 F193 G194S130-H181 VanDerWaalsContact CB-NE2 3.28Å; S130-H181 WeakPolarHBondContact CB-NE2 3.42Å; S130-H181 PolarHBondContact OG-CD2 3.13Å; S130-H181 PolarHBondContact OG-NE2 3.36Å; F141-H181 AromaticContact CD1-CE1 3.95Å; F141-H181 AromaticContact CD1-NE2 3.39Å; F141-H181 WeakPolarHBondContact CD1-NE2 3.27Å; F141-H181 PolarHBondContact O-CE1 3.26Å; F141-H181 PolarHBondContact O-NE2 2.94Å; R178-H181 HydrophobicContact CG-CB 4.32Å; D179-H181 PolarHBondContact O-N 2.96Å; H181-F193 WeakPolarHBondContact CB-O 3.46Å; H181-G194 WeakPolarHBondContact CB-O 3.39Å
182T96.7Very high96.7Very high15 Ų1543.9 Ų43.99%0.09223%0.227CC..EExtended strand (participates in β ladder)trans-119.6147.5168.662.40000110.6V192 F193 H240 S242T182-V192 WeakPolarHBondContact O-CA 3.35Å; T182-F193 PolarHBondContact N-O 3.49Å; T182-F193 VanDerWaalsContact N-O 3.13Å; T182-F193 PolarHBondContact O-N 3.25Å; T182-F193 VanDerWaalsContact O-N 3.12Å; T182-H240 WeakPolarHBondContact CG2-NE2 3.21Å; T182-H240 WeakPolarHBondContact CG2-O 3.48Å; T182-H240 PolarHBondContact OG1-NE2 2.86Å; T182-S242 WeakPolarHBondContact CB-OG 3.43Å; T182-S242 VanDerWaalsContact OG1-CB 3.32Å; T182-S242 WeakPolarHBondContact OG1-CB 3.19Å; T182-S242 PolarHBondContact OG1-OG 3.03Å
183A97.4Very high96.7Very high13 Ų1341.2 Ų41.211%0.10720%0.199CC..EExtended strand (participates in β ladder)trans-124.9131168.400000109.5S130 M190 Y191 V192S130-A183 VanDerWaalsContact CB-CB 3.5Å; S130-A183 WeakPolarHBondContact OG-CB 3.19Å; A183-M190 HydrophobicContact CB-CG 3.83Å; A183-M190 HydrophobicContact CB-SD 3.94Å; A183-Y191 CarbonylContact C-O 3.57Å; A183-Y191 WeakPolarHBondContact CA-O 3.48Å; A183-V192 HydrophobicContact CB-CG2 4.09Å
184T96.4Very high96.6Very high14 Ų1435.5 Ų35.59%0.08616%0.164CC..EExtended strand (participates in β ladder)trans-137.1131.1-174.5-77.10000110.8Y191 S242 T244 L249T184-Y191 PolarHBondContact N-O 2.93Å; T184-Y191 PolarHBondContact O-N 2.85Å; T184-S242 PolarHBondContact OG1-OG 2.95Å; T184-T244 HydrophobicContact CG2-CG2 3.15Å; T184-L249 HydrophobicContact CG2-CD1 3.53Å
185M96.5Very high96.6Very high35 Ų3534 Ų3417%0.17215%0.151CC..EExtended strand (participates in β ladder)trans-84.3129.8-178.2-71.4-58.5-57.900112.8C132 Y134 R187 R189 M190 F219 T244C132-M185 HydrophobicContact CB-CG 3.64Å; C132-M185 HydrophobicContact CB-SD 4.4Å; C132-M185 VanDerWaalsContact SG-CG 3.6Å; Y134-M185 HydrophobicContact CD2-CE 3.64Å; Y134-M185 HydrophobicContact CE2-CE 4.39Å; Y134-M185 HydrophobicContact CG-CE 4.18Å; M185-R187 WeakPolarHBondContact CE-O 3.36Å; M185-R189 WeakPolarHBondContact CA-O 3.15Å; M185-M190 VanDerWaalsContact SD-CA 3.54Å; M185-M190 HydrophobicContact SD-CB 3.53Å; M185-M190 VanDerWaalsContact SD-CB 3.53Å; M185-M190 HydrophobicContact SD-CG 4.07Å; M185-F219 HydrophobicContact CE-CD2 3.94Å; M185-F219 HydrophobicContact CE-CE2 3.69Å; M185-F219 HydrophobicContact SD-CE2 3.73Å; M185-T244 WeakPolarHBondContact O-CG2 3.5Å
186I95Very high96.5Very high29 Ų2935.8 Ų35.815%0.14916%0.158CC..EExtended strand (participates in β ladder)trans-124.4108.6161.4-60.7166.7000107.4D188 R189 Y191 T244 L249I186-D188 PolarHBondContact O-N 3.3Å; I186-R189 PolarHBondContact N-O 3.2Å; I186-R189 PolarHBondContact O-N 3.25Å; I186-R189 VanDerWaalsContact O-N 3.12Å; I186-Y191 HydrophobicContact CB-CD2 4.23Å; I186-Y191 HydrophobicContact CB-CE2 3.84Å; I186-Y191 HydrophobicContact CD1-CD2 3.96Å; I186-Y191 HydrophobicContact CD1-CE2 3.83Å; I186-Y191 HydrophobicContact CG1-CD2 4.19Å; I186-Y191 HydrophobicContact CG1-CE2 4.15Å; I186-T244 HydrophobicContact CD1-CG2 4.26Å; I186-T244 HydrophobicContact CG1-CG2 3.49Å; I186-T244 VanDerWaalsContact CG1-CG2 3.49Å; I186-L249 HydrophobicContact CD1-CB 4.15Å
187R94.9Very high96.5Very high223 Ų22333.1 Ų33.184%0.84214%0.142SC*.THydrogen-bonded Turntrans55.6-119.7-175.5-54.9176.9-178.3171.8-0.3110.3M185 R189M185-R187 WeakPolarHBondContact CE-O 3.36Å; R187-R189 VanDerWaalsContact C-N 3.33Å
188D97.1Very high96.4Very high65 Ų6529 Ų2935%0.34813%0.127SC..THydrogen-bonded Turntrans-92.816.4-177.7-51.3-65.3000113.5Y134 I186 F219 T220Y134-D188 HydrophobicContact CE2-CB 4.16Å; Y134-D188 VanDerWaalsContact CE2-OD1 3.28Å; Y134-D188 WeakPolarHBondContact CE2-OD1 3.47Å; Y134-D188 PolarHBondContact OH-OD1 2.84Å; I186-D188 PolarHBondContact O-N 3.3Å; D188-F219 VanDerWaalsContact O-CD2 3.29Å; D188-F219 WeakPolarHBondContact O-CD2 3.35Å; D188-F219 PolarHBondContact O-N 3.15Å; D188-T220 HydrophobicContact CB-CG2 3.78Å
189R97.7Very high96.1Very high92 Ų9235.1 Ų35.135%0.34716%0.156SC..EExtended strand (participates in β ladder)trans-125.1129.8-175.6-66.9172.9178.3-174.1-7.7112.3M185 I186 R187 Y191 Y216 L217 D218M185-R189 WeakPolarHBondContact CA-O 3.15Å; I186-R189 PolarHBondContact N-O 3.2Å; I186-R189 PolarHBondContact O-N 3.25Å; I186-R189 VanDerWaalsContact O-N 3.12Å; R187-R189 VanDerWaalsContact C-N 3.33Å; R189-Y191 HydrophobicContact CB-CD2 4.21Å; R189-Y191 HydrophobicContact CB-CE2 3.59Å; R189-Y216 HydrophobicContact CB-CD2 3.94Å; R189-Y216 HydrophobicContact CB-CG 4.45Å; R189-Y216 VanDerWaalsContact CD-CE2 3.5Å; R189-Y216 HydrophobicContact CG-CD2 3.64Å; R189-Y216 HydrophobicContact CG-CE2 3.97Å; R189-L217 CarbonylContact C-O 3.55Å; R189-L217 VanDerWaalsContact CA-O 3.29Å; R189-L217 WeakPolarHBondContact CA-O 3.25Å; R189-D218 HydrophobicContact CG-CB 4.24Å; R189-D218 IonicContact CZ-OD2 3.26Å; R189-D218 VanDerWaalsContact CZ-OD2 3.24Å; R189-D218 IonicContact NE-OD2 3.85Å; R189-D218 PolarHBondContact NE-OD2 3.28Å; R189-D218 IonicContact NH2-OD2 3.94Å; R189-D218 PolarHBondContact NH2-OD2 3.06Å
190M98.1Very high95.6Very high0 Ų038.4 Ų38.40%018%0.178CC..EExtended strand (participates in β ladder)trans-97.9108.2172.7-176.3178.172.900110.2I139 F141 A183 M185 V192 Y216 L217 F219 W224I139-M190 HydrophobicContact CG2-CE 4.41Å; I139-M190 HydrophobicContact CG2-SD 4.08Å; F141-M190 HydrophobicContact CB-CE 3.9Å; F141-M190 HydrophobicContact CG-CE 4.34Å; A183-M190 HydrophobicContact CB-CG 3.83Å; A183-M190 HydrophobicContact CB-SD 3.94Å; M185-M190 VanDerWaalsContact SD-CA 3.54Å; M185-M190 HydrophobicContact SD-CB 3.53Å; M185-M190 VanDerWaalsContact SD-CB 3.53Å; M185-M190 HydrophobicContact SD-CG 4.07Å; M190-V192 HydrophobicContact CE-CG2 4.22Å; M190-Y216 CarbonylContact O-C 3.45Å; M190-Y216 WeakPolarHBondContact O-CA 3.35Å; M190-Y216 WeakPolarHBondContact O-CB 3.44Å; M190-L217 HydrophobicContact CB-CB 4.41Å; M190-L217 HydrophobicContact CE-CB 4.34Å; M190-L217 HydrophobicContact CE-CD2 4.25Å; M190-L217 PolarHBondContact N-O 3.1Å; M190-L217 PolarHBondContact O-N 3.13Å; M190-F219 HydrophobicContact CB-CE2 3.81Å; M190-F219 HydrophobicContact CB-CZ 4.01Å; M190-W224 HydrophobicContact CE-CH2 3.63Å; M190-W224 HydrophobicContact CE-CZ2 4.09Å
191Y96.6Very high95.4Very high36 Ų3638.3 Ų38.314%0.14118%0.183CC..EExtended strand (participates in β ladder)trans-87.6125.7179.3-71.6-97.1000111.3A183 T184 I186 R189 L214 M215 Y216 V227A183-Y191 CarbonylContact C-O 3.57Å; A183-Y191 WeakPolarHBondContact CA-O 3.48Å; T184-Y191 PolarHBondContact N-O 2.93Å; T184-Y191 PolarHBondContact O-N 2.85Å; I186-Y191 HydrophobicContact CB-CD2 4.23Å; I186-Y191 HydrophobicContact CB-CE2 3.84Å; I186-Y191 HydrophobicContact CD1-CD2 3.96Å; I186-Y191 HydrophobicContact CD1-CE2 3.83Å; I186-Y191 HydrophobicContact CG1-CD2 4.19Å; I186-Y191 HydrophobicContact CG1-CE2 4.15Å; R189-Y191 HydrophobicContact CB-CD2 4.21Å; R189-Y191 HydrophobicContact CB-CE2 3.59Å; Y191-L214 HydrophobicContact CD1-CD1 4.24Å; Y191-L214 HydrophobicContact CD1-CD2 4.3Å; Y191-L214 HydrophobicContact CD1-CG 4.28Å; Y191-M215 CarbonylContact C-O 3.51Å; Y191-M215 WeakPolarHBondContact CA-O 3.15Å; Y191-Y216 HydrophobicContact CD1-CD1 4.41Å; Y191-Y216 HydrophobicContact CD1-CG 4.42Å; Y191-Y216 AromaticContact CE1-CD1 3.85Å; Y191-Y216 HydrophobicContact CE1-CD1 3.85Å; Y191-Y216 HydrophobicContact CE1-CG 4.03Å; Y191-V227 HydrophobicContact CD1-CG2 4.12Å; Y191-V227 HydrophobicContact CE1-CG2 3.83Å
192V97Very high95.2Very high1 Ų139.1 Ų39.11%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-111.7130.7179.7173.50000110.6F141 T182 A183 M190 M215 W224F141-V192 HydrophobicContact CD1-CG1 4.14Å; F141-V192 HydrophobicContact CD1-CG2 3.9Å; F141-V192 HydrophobicContact CE1-CG1 3.89Å; F141-V192 HydrophobicContact CE1-CG2 4.24Å; T182-V192 WeakPolarHBondContact O-CA 3.35Å; A183-V192 HydrophobicContact CB-CG2 4.09Å; M190-V192 HydrophobicContact CE-CG2 4.22Å; V192-M215 PolarHBondContact N-O 3.03Å; V192-M215 PolarHBondContact O-N 2.92Å; V192-W224 HydrophobicContact CB-CZ3 4.38Å; V192-W224 HydrophobicContact CG2-CH2 3.71Å; V192-W224 HydrophobicContact CG2-CZ3 3.96Å
193F95.3Very high95.1Very high2 Ų243.9 Ų43.91%0.00921%0.209CC..EExtended strand (participates in β ladder)trans-142.7146.2177.6178.2-101.4000113.2H181 T182 T212 L214 P234 R237 H240 L251H181-F193 WeakPolarHBondContact CB-O 3.46Å; T182-F193 PolarHBondContact N-O 3.49Å; T182-F193 VanDerWaalsContact N-O 3.13Å; T182-F193 PolarHBondContact O-N 3.25Å; T182-F193 VanDerWaalsContact O-N 3.12Å; F193-T212 WeakPolarHBondContact CE2-O 3.22Å; F193-L214 HydrophobicContact CB-CD1 3.89Å; F193-P234 HydrophobicContact CE1-CG 4.24Å; F193-P234 HydrophobicContact CE2-CG 3.71Å; F193-P234 HydrophobicContact CZ-CB 4.02Å; F193-P234 HydrophobicContact CZ-CG 3.4Å; F193-R237 HydrophobicContact CE1-CG 4.31Å; F193-H240 AromaticContact CD1-NE2 3.51Å; F193-H240 PolarHBondContact O-CE1 2.85Å; F193-H240 PolarHBondContact O-NE2 2.8Å; F193-L251 HydrophobicContact CD1-CD1 3.6Å; F193-L251 HydrophobicContact CD1-CD2 3.9Å; F193-L251 HydrophobicContact CD1-CG 4.39Å; F193-L251 HydrophobicContact CE1-CD1 3.74Å; F193-L251 HydrophobicContact CG-CD1 4.12Å; F193-L251 HydrophobicContact CG-CD2 4.48Å; F193-L251 HydrophobicContact CZ-CD1 4.35Å
194G94.7Very high94.7Very high0 Ų046.9 Ų46.90%022%0.22CC..EExtended strand (participates in β ladder)trans66.1-146.3176.300000112.6R178 H181 R237R178-G194 WeakPolarHBondContact CD-O 3.36Å; R178-G194 PolarHBondContact NH1-O 2.8Å; H181-G194 WeakPolarHBondContact CB-O 3.39Å; G194-R237 CarbonylContact C-O 3.5Å; G194-R237 WeakPolarHBondContact CA-O 3.33Å
195G95.7Very high94.3Very high0 Ų049.1 Ų49.10%023%0.234CC..EExtended strand (participates in β ladder)trans91167.5-168.900000112.9D179 Y210 R237D179-G195 CarbonylContact O-C 3.55Å; D179-G195 WeakPolarHBondContact O-CA 3.49Å; G195-Y210 WeakPolarHBondContact O-CD1 3.4Å; G195-R237 PolarHBondContact N-O 3.29Å
196R95.2Very high93.7Very high38 Ų3853.9 Ų53.914%0.14326%0.26CS..EExtended strand (participates in β ladder)trans-98.9136.3171155.4-176.870.7162.413.9109.2F151 R178 D179 E208 Y210 R238F151-R196 HydrophobicContact CE1-CG 4.25Å; F151-R196 HydrophobicContact CZ-CG 4.25Å; R178-R196 CarbonylContact C-O 3.52Å; R178-R196 WeakPolarHBondContact CA-O 3.49Å; R178-R196 WeakPolarHBondContact CB-O 3.42Å; D179-R196 PolarHBondContact N-O 2.95Å; D179-R196 PolarHBondContact O-N 3.34Å; D179-R196 WeakPolarHBondContact OD1-CB 3.07Å; D179-R196 IonicContact OD1-CZ 3.83Å; D179-R196 IonicContact OD1-NE 3.74Å; D179-R196 PolarHBondContact OD1-NE 3.33Å; D179-R196 IonicContact OD1-NH2 2.79Å; D179-R196 IonicContact OD2-CZ 3.77Å; D179-R196 IonicContact OD2-NE 2.66Å; D179-R196 PolarHBondContact OD2-NE 2.85Å; D179-R196 IonicContact OD2-NH2 3.14Å; D179-R196 PolarHBondContact OD2-NH2 3.42Å; R196-E208 WeakPolarHBondContact CD-OE1 3.37Å; R196-E208 HydrophobicContact CG-CB 4.34Å; R196-E208 HydrophobicContact CG-CG 4.2Å; R196-E208 IonicContact CZ-OE1 3.48Å; R196-E208 IonicContact NE-OE1 3.85Å; R196-E208 IonicContact NH1-OE1 2.63Å; R196-E208 PolarHBondContact NH1-OE1 3.26Å; R196-Y210 HydrophobicContact CB-CD1 4.3Å; R196-Y210 HydrophobicContact CB-CE1 3.77Å; R196-R238 HydrophobicContact CB-CB 4.32Å
197S95.9Very high93.6Very high4 Ų454.9 Ų54.93%0.02827%0.27CS..EExtended strand (participates in β ladder)trans-126.3-176.5172.5-610000108.7W177 E208 L209W177-S197 VanDerWaalsContact O-CB 3.26Å; W177-S197 WeakPolarHBondContact O-CB 3.05Å; W177-S197 PolarHBondContact O-OG 3.36Å; S197-E208 WeakPolarHBondContact O-CA 3.23Å; S197-L209 PolarHBondContact N-O 3.31Å; S197-L209 PolarHBondContact O-N 3.36Å
198D94.6Very high93.5Very high8 Ų847.3 Ų47.34%0.04324%0.244CC..EExtended strand (participates in β ladder)trans-132.1147.9178.1-158.9-78.5000110.9F151 S200 G201 F203 H204 T205 S207F151-D198 HydrophobicContact CD2-CB 4.22Å; F151-D198 HydrophobicContact CE2-CB 3.84Å; D198-S200 PolarHBondContact O-N 3.12Å; D198-S200 PolarHBondContact OD1-N 2.87Å; D198-G201 PolarHBondContact O-N 3.1Å; D198-F203 WeakPolarHBondContact CB-O 3.28Å; D198-F203 VanDerWaalsContact CG-O 3.26Å; D198-H204 WeakPolarHBondContact OD2-CA 3.09Å; D198-H204 IonicContact OD2-ND1 3.84Å; D198-H204 PolarHBondContact OD2-ND1 2.94Å; D198-T205 PolarHBondContact OD1-OG1 3.41Å; D198-T205 PolarHBondContact OD2-N 2.95Å; D198-S207 WeakPolarHBondContact CA-O 3.19Å
199E90.8Very high93.3Very high132 Ų13248 Ų4862%0.61725%0.247SC*.THydrogen-bonded Turntrans-61.2-30.9175.4-69.1-175168.800112.4G201 S207 L209E199-G201 PolarHBondContact O-N 3.43Å; E199-S207 PolarHBondContact N-O 2.84Å; E199-L209 HydrophobicContact CB-CD1 4.43Å; E199-L209 HydrophobicContact CG-CD1 3.7Å; E199-L209 HydrophobicContact CG-CD2 3.83Å; E199-L209 HydrophobicContact CG-CG 3.58Å
200S88.6Confident93.1Very high68 Ų6847.3 Ų47.348%0.47625%0.245SC..THydrogen-bonded Turntrans-85.820.3-178.6-58.70000113.5D198 T205D198-S200 PolarHBondContact O-N 3.12Å; D198-S200 PolarHBondContact OD1-N 2.87Å; S200-T205 VanDerWaalsContact CB-CG2 3.47Å; S200-T205 VanDerWaalsContact OG-CG2 3.29Å; S200-T205 WeakPolarHBondContact OG-CG2 3.33Å; S200-T205 PolarHBondContact OG-OG1 3.46Å
201G91.3Very high92.7Very high17 Ų1749.3 Ų49.318%0.17526%0.256CS..BIsolated β-bridgetrans81.3-127.2178.900000112.1W177 D198 E199 F203W177-G201 VanDerWaalsContact CD1-O 3.31Å; D198-G201 PolarHBondContact O-N 3.1Å; E199-G201 PolarHBondContact O-N 3.43Å; G201-F203 VanDerWaalsContact C-N 3.32Å; G201-F203 PolarHBondContact O-N 3.34Å
202P94.3Very high92.3Very high29 Ų2950.5 Ų50.519%0.18827%0.267CS..THydrogen-bonded Turntrans-78.6-16.2-173.232.8-35.7000112.7R150 F151 W177R150-P202 CarbonylContact C-O 3.41Å; R150-P202 WeakPolarHBondContact CA-O 3.27Å; R150-P202 HydrophobicContact CB-CB 4.26Å; R150-P202 WeakPolarHBondContact CB-O 3.42Å; F151-P202 WeakPolarHBondContact CD2-O 3.37Å; F151-P202 PolarHBondContact N-O 3.1Å; W177-P202 HydrophobicContact CB-CB 4.48Å; W177-P202 HydrophobicContact CD2-CB 3.99Å; W177-P202 HydrophobicContact CE3-CB 4.38Å; W177-P202 HydrophobicContact CG-CB 4Å
203F94.1Very high92Very high116 Ų11653.9 Ų53.951%0.50928%0.283SS..BIsolated β-bridgetrans-95.4140.5-175.2-55.6-71.5000111.7R150 D198 G201R150-F203 HydrophobicContact CB-CD1 4.1Å; R150-F203 HydrophobicContact CB-CE1 4.18Å; D198-F203 WeakPolarHBondContact CB-O 3.28Å; D198-F203 VanDerWaalsContact CG-O 3.26Å; G201-F203 VanDerWaalsContact C-N 3.32Å; G201-F203 PolarHBondContact O-N 3.34Å
204H88.3Confident91.9Very high76 Ų7654.7 Ų54.735%0.35229%0.287SS..  trans-78.4125.9-178.8-176.249.3000112.1F144 F151 D198 N206F144-H204 HydrophobicContact CE2-CB 4.41Å; F151-H204 HydrophobicContact CE2-CB 3.93Å; F151-H204 HydrophobicContact CZ-CB 4.34Å; D198-H204 WeakPolarHBondContact OD2-CA 3.09Å; D198-H204 IonicContact OD2-ND1 3.84Å; D198-H204 PolarHBondContact OD2-ND1 2.94Å; H204-N206 PolarHBondContact NE2-OD1 3.45Å
205T88.1Confident92Very high61 Ų6155 Ų5537%0.37429%0.288SS..  trans-12810.8-178.666.70000114.2D198 S200 S207D198-T205 PolarHBondContact OD1-OG1 3.41Å; D198-T205 PolarHBondContact OD2-N 2.95Å; S200-T205 VanDerWaalsContact CB-CG2 3.47Å; S200-T205 VanDerWaalsContact OG-CG2 3.29Å; S200-T205 WeakPolarHBondContact OG-CG2 3.33Å; S200-T205 PolarHBondContact OG-OG1 3.46Å; T205-S207 PolarHBondContact O-N 3.09Å
206N84.7Confident92.1Very high135 Ų13556.6 Ų56.672%0.72230%0.295SS*.SBendtrans65.52.5-169.1-60.3-61.4000115.3H204 E208H204-N206 PolarHBondContact NE2-OD1 3.45Å; N206-E208 PolarHBondContact O-N 2.85Å
207S92.4Very high92.2Very high50 Ų5054.8 Ų54.835%0.3529%0.288SS..  trans-92.873.1169.7-68.70000110.1D198 E199 T205D198-S207 WeakPolarHBondContact CA-O 3.19Å; E199-S207 PolarHBondContact N-O 2.84Å; T205-S207 PolarHBondContact O-N 3.09Å
208E92.2Very high92.3Very high63 Ų6354.9 Ų54.929%0.29429%0.288SS..EExtended strand (participates in β ladder)trans-72.2132.6-175.8-60.8-174.3159.100112.3R196 S197 N206 Y210R196-E208 WeakPolarHBondContact CD-OE1 3.37Å; R196-E208 HydrophobicContact CG-CB 4.34Å; R196-E208 HydrophobicContact CG-CG 4.2Å; R196-E208 IonicContact CZ-OE1 3.48Å; R196-E208 IonicContact NE-OE1 3.85Å; R196-E208 IonicContact NH1-OE1 2.63Å; R196-E208 PolarHBondContact NH1-OE1 3.26Å; S197-E208 WeakPolarHBondContact O-CA 3.23Å; N206-E208 PolarHBondContact O-N 2.85Å; E208-Y210 HydrophobicContact CB-CE2 4.01Å; E208-Y210 PolarHBondContact OE2-OH 3.18Å
209L93.1Very high92.5Very high79 Ų7956 Ų5641%0.41429%0.293SS..EExtended strand (participates in β ladder)trans-112.2152.5169.9-67.7-179.8000111.2S197 E199S197-L209 PolarHBondContact N-O 3.31Å; S197-L209 PolarHBondContact O-N 3.36Å; E199-L209 HydrophobicContact CB-CD1 4.43Å; E199-L209 HydrophobicContact CG-CD1 3.7Å; E199-L209 HydrophobicContact CG-CD2 3.83Å; E199-L209 HydrophobicContact CG-CG 3.58Å
210Y93.3Very high92.8Very high79 Ų7954.4 Ų54.431%0.3129%0.292SS..  trans-129.6101.4178.7-64.5-88.3000109.8G195 R196 E208 G236 R238G195-Y210 WeakPolarHBondContact O-CD1 3.4Å; R196-Y210 HydrophobicContact CB-CD1 4.3Å; R196-Y210 HydrophobicContact CB-CE1 3.77Å; E208-Y210 HydrophobicContact CB-CE2 4.01Å; E208-Y210 PolarHBondContact OE2-OH 3.18Å; Y210-G236 VanDerWaalsContact CB-C 3.48Å; Y210-G236 WeakPolarHBondContact O-CA 3.07Å; Y210-R238 HydrophobicContact CD1-CB 4.35Å; Y210-R238 HydrophobicContact CE1-CB 3.84Å; Y210-R238 HydrophobicContact CE1-CG 3.71Å; Y210-R238 PolarHBondContact OH-NE 2.96Å
211N89.6Confident93.2Very high42 Ų4254.7 Ų54.723%0.22529%0.288CS..  trans-74.1137.5-174.1-168.1-43.9000111.4V176 E213V176-N211 HydrophobicContact CG2-CB 4.36Å; N211-E213 WeakPolarHBondContact OD1-CA 3.35Å; N211-E213 WeakPolarHBondContact OD1-CB 3.1Å; N211-E213 PolarHBondContact OD1-N 2.73Å
212T89.6Confident93.5Very high61 Ų6156.3 Ų56.337%0.37429%0.293SS..  trans-99.1-6.6-178.353.40000114F193 P234 G236F193-T212 WeakPolarHBondContact CE2-O 3.22Å; T212-P234 WeakPolarHBondContact CG2-O 3.48Å; T212-G236 VanDerWaalsContact CG2-N 3.32Å
213E90.7Very high93.7Very high72 Ų7255.8 Ų55.834%0.33629%0.29SS..  trans-71.6133.7-179.5-167.3175.6-133.900110.6N211 M215 T226N211-E213 WeakPolarHBondContact OD1-CA 3.35Å; N211-E213 WeakPolarHBondContact OD1-CB 3.1Å; N211-E213 PolarHBondContact OD1-N 2.73Å; E213-M215 HydrophobicContact CG-CG 3.91Å; E213-M215 VanDerWaalsContact OE2-SD 3.4Å; E213-T226 HydrophobicContact CG-CG2 3.82Å; E213-T226 WeakPolarHBondContact OE1-CG2 3.04Å; E213-T226 PolarHBondContact OE1-OG1 3.01Å
214L93.1Very high93.9Very high18 Ų1850.8 Ų50.89%0.09427%0.268CS..  trans-95.1123.8169.2177.967.2000107.8Y191 F193 V227 T229 L249Y191-L214 HydrophobicContact CD1-CD1 4.24Å; Y191-L214 HydrophobicContact CD1-CD2 4.3Å; Y191-L214 HydrophobicContact CD1-CG 4.28Å; F193-L214 HydrophobicContact CB-CD1 3.89Å; L214-V227 HydrophobicContact CB-CB 4.22Å; L214-V227 HydrophobicContact CB-CG2 4.38Å; L214-V227 HydrophobicContact CD2-CB 4.06Å; L214-V227 HydrophobicContact CD2-CG1 4.11Å; L214-V227 HydrophobicContact CD2-CG2 3.95Å; L214-V227 HydrophobicContact CG-CB 4.07Å; L214-V227 HydrophobicContact CG-CG2 3.78Å; L214-V227 WeakPolarHBondContact O-CB 3.41Å; L214-V227 WeakPolarHBondContact O-CG2 3.47Å; L214-V227 PolarHBondContact O-N 3.39Å; L214-T229 HydrophobicContact CB-CG2 4.4Å; L214-T229 HydrophobicContact CD2-CG2 4.41Å; L214-L249 HydrophobicContact CD1-CD2 3.84Å; L214-L249 HydrophobicContact CD2-CD2 4.23Å
215M96.2Very high94.4Very high7 Ų751.3 Ų51.33%0.03427%0.267CS..EExtended strand (participates in β ladder)trans-124.4160.2177.6-59.2-175.177.400110T173 P175 Y191 V192 E213 W224 Y225T173-M215 WeakPolarHBondContact O-CE 3.45Å; P175-M215 VanDerWaalsContact CA-SD 3.52Å; P175-M215 HydrophobicContact CB-SD 3.67Å; P175-M215 HydrophobicContact CG-CB 4.05Å; P175-M215 HydrophobicContact CG-CE 4.41Å; P175-M215 HydrophobicContact CG-CG 4.42Å; P175-M215 HydrophobicContact CG-SD 3.64Å; Y191-M215 CarbonylContact C-O 3.51Å; Y191-M215 WeakPolarHBondContact CA-O 3.15Å; V192-M215 PolarHBondContact N-O 3.03Å; V192-M215 PolarHBondContact O-N 2.92Å; E213-M215 HydrophobicContact CG-CG 3.91Å; E213-M215 VanDerWaalsContact OE2-SD 3.4Å; M215-W224 HydrophobicContact CB-CE3 4.36Å; M215-Y225 CarbonylContact C-O 3.53Å; M215-Y225 WeakPolarHBondContact CA-O 3.41Å; M215-Y225 WeakPolarHBondContact CB-O 3.36Å
216Y97.4Very high94.7Very high33 Ų3351.9 Ų51.913%0.12927%0.271CS..EExtended strand (participates in β ladder)trans-137.7145.9169.266.6-83.2000112.5R189 M190 Y191 D218 W224 Y225 V227R189-Y216 HydrophobicContact CB-CD2 3.94Å; R189-Y216 HydrophobicContact CB-CG 4.45Å; R189-Y216 VanDerWaalsContact CD-CE2 3.5Å; R189-Y216 HydrophobicContact CG-CD2 3.64Å; R189-Y216 HydrophobicContact CG-CE2 3.97Å; M190-Y216 CarbonylContact O-C 3.45Å; M190-Y216 WeakPolarHBondContact O-CA 3.35Å; M190-Y216 WeakPolarHBondContact O-CB 3.44Å; Y191-Y216 HydrophobicContact CD1-CD1 4.41Å; Y191-Y216 HydrophobicContact CD1-CG 4.42Å; Y191-Y216 AromaticContact CE1-CD1 3.85Å; Y191-Y216 HydrophobicContact CE1-CD1 3.85Å; Y191-Y216 HydrophobicContact CE1-CG 4.03Å; Y216-D218 HydrophobicContact CD2-CB 4.17Å; Y216-D218 HydrophobicContact CE2-CB 3.98Å; Y216-W224 WeakPolarHBondContact O-CA 3.27Å; Y216-Y225 HydrophobicContact CD2-CD2 4.27Å; Y216-Y225 HydrophobicContact CE1-CG 4.37Å; Y216-Y225 AromaticContact CE2-CD2 3.62Å; Y216-Y225 HydrophobicContact CE2-CD2 3.62Å; Y216-Y225 HydrophobicContact CE2-CG 4.04Å; Y216-Y225 VanDerWaalsContact CZ-CB 3.44Å; Y216-Y225 AromaticContact CZ-CD2 3.89Å; Y216-Y225 AromaticContact CZ-CG 3.81Å; Y216-Y225 PolarHBondContact N-O 2.93Å; Y216-Y225 PolarHBondContact O-N 3.12Å; Y216-V227 HydrophobicContact CD1-CG2 3.51Å; Y216-V227 HydrophobicContact CE1-CG2 3.95Å
217L98.6Very high95Very high0 Ų047 Ų470%025%0.246CC..EExtended strand (participates in β ladder)trans-90.7120.5165.1175.456.1000107.4T155 P170 R189 M190 F219 S223 W224T155-L217 HydrophobicContact CG2-CD2 4.08Å; P170-L217 HydrophobicContact CB-CD1 3.59Å; P170-L217 HydrophobicContact CG-CD1 3.84Å; P170-L217 HydrophobicContact CG-CD2 4.05Å; R189-L217 CarbonylContact C-O 3.55Å; R189-L217 VanDerWaalsContact CA-O 3.29Å; R189-L217 WeakPolarHBondContact CA-O 3.25Å; M190-L217 HydrophobicContact CB-CB 4.41Å; M190-L217 HydrophobicContact CE-CB 4.34Å; M190-L217 HydrophobicContact CE-CD2 4.25Å; M190-L217 PolarHBondContact N-O 3.1Å; M190-L217 PolarHBondContact O-N 3.13Å; L217-F219 HydrophobicContact CD2-CD1 4.25Å; L217-F219 HydrophobicContact CD2-CE1 3.59Å; L217-F219 HydrophobicContact CD2-CZ 4.01Å; L217-F219 HydrophobicContact CG-CD1 4.31Å; L217-F219 HydrophobicContact CG-CE1 4.03Å; L217-F219 HydrophobicContact CG-CZ 4.36Å; L217-S223 WeakPolarHBondContact CD1-O 3.44Å; L217-W224 HydrophobicContact CB-CD2 3.88Å; L217-W224 HydrophobicContact CB-CE3 3.79Å; L217-W224 HydrophobicContact CB-CH2 3.67Å; L217-W224 HydrophobicContact CB-CZ2 3.77Å; L217-W224 HydrophobicContact CB-CZ3 3.68Å; L217-W224 HydrophobicContact CD1-CD2 4.36Å; L217-W224 HydrophobicContact CD1-CG 4.44Å; L217-W224 HydrophobicContact CD2-CZ2 4.1Å; L217-W224 HydrophobicContact CG-CZ2 4.43Å; L217-W224 VanDerWaalsContact N-CE3 3.27Å
218D98.1Very high94.7Very high7 Ų753.9 Ų53.94%0.03727%0.272CS..EExtended strand (participates in β ladder)trans-89.6117.8171.4-160.7-40.1000109R189 Y216 T220 N222 S223 Y225R189-D218 HydrophobicContact CG-CB 4.24Å; R189-D218 IonicContact CZ-OD2 3.26Å; R189-D218 VanDerWaalsContact CZ-OD2 3.24Å; R189-D218 IonicContact NE-OD2 3.85Å; R189-D218 PolarHBondContact NE-OD2 3.28Å; R189-D218 IonicContact NH2-OD2 3.94Å; R189-D218 PolarHBondContact NH2-OD2 3.06Å; Y216-D218 HydrophobicContact CD2-CB 4.17Å; Y216-D218 HydrophobicContact CE2-CB 3.98Å; D218-T220 PolarHBondContact O-N 3.25Å; D218-T220 WeakPolarHBondContact OD1-CB 3.34Å; D218-T220 WeakPolarHBondContact OD1-CG2 3.32Å; D218-T220 PolarHBondContact OD1-N 2.7Å; D218-T220 PolarHBondContact OD1-OG1 2.89Å; D218-N222 WeakPolarHBondContact O-CA 3.11Å; D218-N222 PolarHBondContact O-N 2.9Å; D218-S223 PolarHBondContact N-O 2.92Å; D218-S223 PolarHBondContact O-N 2.76Å; D218-Y225 HydrophobicContact CB-CD2 4.16Å; D218-Y225 HydrophobicContact CB-CE2 3.95Å
219F98Very high94.3Very high31 Ų3153.4 Ų53.414%0.13627%0.274CS..THydrogen-bonded Turntrans-78.5-9.4-179.2-66.6-67.9000113Y134 I139 L168 M185 D188 M190 L217Y134-F219 HydrophobicContact CD1-CB 3.92Å; Y134-F219 HydrophobicContact CD1-CD1 4.16Å; Y134-F219 AromaticContact CD1-CD2 3.65Å; Y134-F219 HydrophobicContact CD1-CD2 3.65Å; Y134-F219 HydrophobicContact CD1-CE2 4.19Å; Y134-F219 AromaticContact CD1-CG 3.64Å; Y134-F219 HydrophobicContact CD1-CG 3.64Å; Y134-F219 HydrophobicContact CD2-CD2 4.04Å; Y134-F219 HydrophobicContact CE1-CB 3.34Å; Y134-F219 HydrophobicContact CE1-CD1 4.39Å; Y134-F219 AromaticContact CE1-CD2 3.89Å; Y134-F219 HydrophobicContact CE1-CD2 3.89Å; Y134-F219 AromaticContact CE1-CG 3.64Å; Y134-F219 HydrophobicContact CE1-CG 3.64Å; Y134-F219 HydrophobicContact CE2-CD2 4.27Å; Y134-F219 AromaticContact CG-CD2 3.73Å; Y134-F219 HydrophobicContact CG-CD2 3.73Å; Y134-F219 HydrophobicContact CG-CE2 4.01Å; Y134-F219 HydrophobicContact CG-CG 4.22Å; I139-F219 HydrophobicContact CB-CZ 4.37Å; I139-F219 HydrophobicContact CD1-CE1 4.4Å; I139-F219 HydrophobicContact CG1-CE1 4.18Å; I139-F219 HydrophobicContact CG1-CZ 3.87Å; I139-F219 HydrophobicContact CG2-CE1 4.3Å; I139-F219 HydrophobicContact CG2-CZ 4.05Å; L168-F219 HydrophobicContact CD1-CE1 4.4Å; M185-F219 HydrophobicContact CE-CD2 3.94Å; M185-F219 HydrophobicContact CE-CE2 3.69Å; M185-F219 HydrophobicContact SD-CE2 3.73Å; D188-F219 VanDerWaalsContact O-CD2 3.29Å; D188-F219 WeakPolarHBondContact O-CD2 3.35Å; D188-F219 PolarHBondContact O-N 3.15Å; M190-F219 HydrophobicContact CB-CE2 3.81Å; M190-F219 HydrophobicContact CB-CZ 4.01Å; L217-F219 HydrophobicContact CD2-CD1 4.25Å; L217-F219 HydrophobicContact CD2-CE1 3.59Å; L217-F219 HydrophobicContact CD2-CZ 4.01Å; L217-F219 HydrophobicContact CG-CD1 4.31Å; L217-F219 HydrophobicContact CG-CE1 4.03Å; L217-F219 HydrophobicContact CG-CZ 4.36Å
220T97.4Very high93.6Very high98 Ų9858.8 Ų58.860%0.60129%0.294SS*.THydrogen-bonded Turntrans-73.3-32.9178.663.70000112.5D188 D218D188-T220 HydrophobicContact CB-CG2 3.78Å; D218-T220 PolarHBondContact O-N 3.25Å; D218-T220 WeakPolarHBondContact OD1-CB 3.34Å; D218-T220 WeakPolarHBondContact OD1-CG2 3.32Å; D218-T220 PolarHBondContact OD1-N 2.7Å; D218-T220 PolarHBondContact OD1-OG1 2.89Å
221D97.6Very high92.8Very high74 Ų7458.2 Ų58.240%0.39631%0.312SS..THydrogen-bonded Turntrans-122.52.7175.860.319.7000113.3S223 Y225D221-S223 PolarHBondContact O-N 3.2Å; D221-S223 PolarHBondContact O-OG 3.5Å; D221-S223 VanDerWaalsContact OD1-CB 3.31Å; D221-S223 WeakPolarHBondContact OD1-CB 3.43Å; D221-S223 PolarHBondContact OD1-N 2.67Å; D221-S223 VanDerWaalsContact OD1-N 3.09Å; D221-S223 PolarHBondContact OD1-OG 3.21Å; D221-Y225 PolarHBondContact OD2-OH 2.73Å
222N97.5Very high92.1Very high51 Ų5161 Ų6127%0.27334%0.335SS..THydrogen-bonded Turntrans53.648.2-178.4-173.250.9000112.2H169 P170 E171 D218H169-N222 PolarHBondContact O-ND2 2.78Å; P170-N222 CarbonylContact C-O 3.51Å; P170-N222 WeakPolarHBondContact CA-O 3.38Å; P170-N222 WeakPolarHBondContact CB-O 3.45Å; E171-N222 PolarHBondContact N-O 2.89Å; D218-N222 WeakPolarHBondContact O-CA 3.11Å; D218-N222 PolarHBondContact O-N 2.9Å
223S98.5Very high91.5Very high18 Ų1860.2 Ų60.213%0.12633%0.334CS..EExtended strand (participates in β ladder)trans-128.2145.5-177.9-58.20000113.4E171 L217 D218 D221 Y225E171-S223 WeakPolarHBondContact O-CA 3.47Å; L217-S223 WeakPolarHBondContact CD1-O 3.44Å; D218-S223 PolarHBondContact N-O 2.92Å; D218-S223 PolarHBondContact O-N 2.76Å; D221-S223 PolarHBondContact O-N 3.2Å; D221-S223 PolarHBondContact O-OG 3.5Å; D221-S223 VanDerWaalsContact OD1-CB 3.31Å; D221-S223 WeakPolarHBondContact OD1-CB 3.43Å; D221-S223 PolarHBondContact OD1-N 2.67Å; D221-S223 VanDerWaalsContact OD1-N 3.09Å; D221-S223 PolarHBondContact OD1-OG 3.21Å; S223-Y225 WeakPolarHBondContact O-CD2 3.4Å; S223-Y225 WeakPolarHBondContact O-CE2 3.15Å
224W98.5Very high91.1Very high11 Ų1156.8 Ų56.84%0.04232%0.319CS..EExtended strand (participates in β ladder)trans-85.2140172.6-76.4106.9000112.4F141 E171 T173 A174 P175 M190 V192 M215 Y216 L217F141-W224 HydrophobicContact CD2-CH2 4.15Å; F141-W224 AromaticContact CD2-CZ2 3.68Å; F141-W224 HydrophobicContact CD2-CZ2 3.68Å; F141-W224 HydrophobicContact CE2-CH2 4.08Å; F141-W224 AromaticContact CE2-CZ2 3.53Å; F141-W224 HydrophobicContact CE2-CZ2 3.53Å; F141-W224 HydrophobicContact CG-CH2 4.41Å; F141-W224 HydrophobicContact CG-CZ2 4.36Å; F141-W224 HydrophobicContact CZ-CH2 4.35Å; F141-W224 HydrophobicContact CZ-CZ2 4.17Å; E171-W224 PolarHBondContact O-N 3.21Å; T173-W224 WeakPolarHBondContact O-CB 3.5Å; A174-W224 HydrophobicContact CB-CG 4.38Å; P175-W224 VanDerWaalsContact CD-CD2 3.47Å; P175-W224 HydrophobicContact CG-CD2 4.19Å; P175-W224 HydrophobicContact CG-CE3 3.8Å; P175-W224 HydrophobicContact CG-CH2 4.01Å; P175-W224 HydrophobicContact CG-CZ2 4.36Å; P175-W224 HydrophobicContact CG-CZ3 3.71Å; M190-W224 HydrophobicContact CE-CH2 3.63Å; M190-W224 HydrophobicContact CE-CZ2 4.09Å; V192-W224 HydrophobicContact CB-CZ3 4.38Å; V192-W224 HydrophobicContact CG2-CH2 3.71Å; V192-W224 HydrophobicContact CG2-CZ3 3.96Å; M215-W224 HydrophobicContact CB-CE3 4.36Å; Y216-W224 WeakPolarHBondContact O-CA 3.27Å; L217-W224 HydrophobicContact CB-CD2 3.88Å; L217-W224 HydrophobicContact CB-CE3 3.79Å; L217-W224 HydrophobicContact CB-CH2 3.67Å; L217-W224 HydrophobicContact CB-CZ2 3.77Å; L217-W224 HydrophobicContact CB-CZ3 3.68Å; L217-W224 HydrophobicContact CD1-CD2 4.36Å; L217-W224 HydrophobicContact CD1-CG 4.44Å; L217-W224 HydrophobicContact CD2-CZ2 4.1Å; L217-W224 HydrophobicContact CG-CZ2 4.43Å; L217-W224 VanDerWaalsContact N-CE3 3.27Å
225Y97.6Very high90.7Very high88 Ų8864 Ų6435%0.34535%0.346SS..EExtended strand (participates in β ladder)trans-134.6140.3177.6-64.3-83.8000111.6M215 Y216 D218 D221 S223M215-Y225 CarbonylContact C-O 3.53Å; M215-Y225 WeakPolarHBondContact CA-O 3.41Å; M215-Y225 WeakPolarHBondContact CB-O 3.36Å; Y216-Y225 HydrophobicContact CD2-CD2 4.27Å; Y216-Y225 HydrophobicContact CE1-CG 4.37Å; Y216-Y225 AromaticContact CE2-CD2 3.62Å; Y216-Y225 HydrophobicContact CE2-CD2 3.62Å; Y216-Y225 HydrophobicContact CE2-CG 4.04Å; Y216-Y225 VanDerWaalsContact CZ-CB 3.44Å; Y216-Y225 AromaticContact CZ-CD2 3.89Å; Y216-Y225 AromaticContact CZ-CG 3.81Å; Y216-Y225 PolarHBondContact N-O 2.93Å; Y216-Y225 PolarHBondContact O-N 3.12Å; D218-Y225 HydrophobicContact CB-CD2 4.16Å; D218-Y225 HydrophobicContact CB-CE2 3.95Å; D221-Y225 PolarHBondContact OD2-OH 2.73Å; S223-Y225 WeakPolarHBondContact O-CD2 3.4Å; S223-Y225 WeakPolarHBondContact O-CE2 3.15Å
226T94.9Very high90.3Very high73 Ų7364.8 Ų64.845%0.44836%0.356SS..EExtended strand (participates in β ladder)trans-76.9135.9164.1-65.60000109.7E213E213-T226 HydrophobicContact CG-CG2 3.82Å; E213-T226 WeakPolarHBondContact OE1-CG2 3.04Å; E213-T226 PolarHBondContact OE1-OG1 3.01Å
227V91.3Very high90Very high32 Ų3264.6 Ų64.619%0.19436%0.355CS..  trans-82.9124.4172.2-1770000109.6Y191 L214 Y216 T229Y191-V227 HydrophobicContact CD1-CG2 4.12Å; Y191-V227 HydrophobicContact CE1-CG2 3.83Å; L214-V227 HydrophobicContact CB-CB 4.22Å; L214-V227 HydrophobicContact CB-CG2 4.38Å; L214-V227 HydrophobicContact CD2-CB 4.06Å; L214-V227 HydrophobicContact CD2-CG1 4.11Å; L214-V227 HydrophobicContact CD2-CG2 3.95Å; L214-V227 HydrophobicContact CG-CB 4.07Å; L214-V227 HydrophobicContact CG-CG2 3.78Å; L214-V227 WeakPolarHBondContact O-CB 3.41Å; L214-V227 WeakPolarHBondContact O-CG2 3.47Å; L214-V227 PolarHBondContact O-N 3.39Å; Y216-V227 HydrophobicContact CD1-CG2 3.51Å; Y216-V227 HydrophobicContact CE1-CG2 3.95Å; V227-T229 HydrophobicContact CB-CG2 4.26Å; V227-T229 HydrophobicContact CG1-CG2 3.87Å; V227-T229 PolarHBondContact O-N 3.36Å
228E85.5Confident89.8Confident195 Ų19567.1 Ų67.191%0.91136%0.364SS*.  trans-71.1109.1165.4-68.9-173.4-177.600110.2
229T83.1Confident89.6Confident53 Ų5367.1 Ų67.133%0.32537%0.365SS..  trans-107.4142-177.248.80000111.4L214 V227 W257L214-T229 HydrophobicContact CB-CG2 4.4Å; L214-T229 HydrophobicContact CD2-CG2 4.41Å; V227-T229 HydrophobicContact CB-CG2 4.26Å; V227-T229 HydrophobicContact CG1-CG2 3.87Å; V227-T229 PolarHBondContact O-N 3.36Å; T229-W257 VanDerWaalsContact CB-CE3 3.49Å; T229-W257 VanDerWaalsContact CB-CH2 3.43Å; T229-W257 HydrophobicContact CG2-CD2 3.99Å; T229-W257 HydrophobicContact CG2-CE3 4.21Å; T229-W257 HydrophobicContact CG2-CH2 4.05Å; T229-W257 HydrophobicContact CG2-CZ2 3.81Å; T229-W257 HydrophobicContact CG2-CZ3 4.23Å; T229-W257 WeakPolarHBondContact OG1-CH2 3.39Å; T229-W257 WeakPolarHBondContact OG1-CZ2 3.36Å; T229-W257 WeakPolarHBondContact OG1-CZ3 3.23Å
230K78.6Confident89.5Confident191 Ų19166.3 Ų66.383%0.8336%0.362SS*.  trans-104.5152.9175.2-63.7-178.2-178.3179.10110.9
231G76.4Confident89.3Confident68 Ų6862.1 Ų62.170%0.70134%0.337SS*.SBendtrans86.5-164.8178.800000113.1
232S74.9Confident89.2Confident101 Ų10159.5 Ų59.571%0.70632%0.324SS*.PPolyproline II helixtrans-80.6121.6179.7-56.60000110.4
233A78.1Confident89.1Confident43 Ų4357.6 Ų57.636%0.35531%0.313SS..PPolyproline II helixtrans-56.8137.6173.200000110.8W257A233-W257 HydrophobicContact CB-CE3 4.4Å; A233-W257 HydrophobicContact CB-CH2 3.16Å; A233-W257 HydrophobicContact CB-CZ2 3.53Å; A233-W257 HydrophobicContact CB-CZ3 3.67Å
234P81.8Confident88.8Confident1 Ų159 Ų591%0.00632%0.32CS..PPolyproline II helixtrans-60.3143.5165.130.5-34.9000108.8F193 T212 L251 S255 W257F193-P234 HydrophobicContact CE1-CG 4.24Å; F193-P234 HydrophobicContact CE2-CG 3.71Å; F193-P234 HydrophobicContact CZ-CB 4.02Å; F193-P234 HydrophobicContact CZ-CG 3.4Å; T212-P234 WeakPolarHBondContact CG2-O 3.48Å; P234-L251 HydrophobicContact CG-CD1 4.48Å; P234-S255 WeakPolarHBondContact CB-O 3.22Å; P234-W257 VanDerWaalsContact CD-CD2 3.45Å; P234-W257 HydrophobicContact CG-CG 4.35Å
235Y85Confident88.3Confident169 Ų16959.5 Ų59.566%0.66332%0.323SS*.PPolyproline II helixtrans-57147.7173.2-66.3-75.2000111.5R237Y235-R237 VanDerWaalsContact N-NH2 3.18Å; Y235-R237 VanDerWaalsContact O-CZ 3.24Å; Y235-R237 PolarHBondContact O-NE 2.87Å; Y235-R237 PolarHBondContact O-NH2 2.65Å
236G88Confident87.8Confident24 Ų2463.6 Ų63.625%0.24734%0.338CS..PPolyproline II helixtrans-58.4143.1170.600000109.9Y210 T212Y210-G236 VanDerWaalsContact CB-C 3.48Å; Y210-G236 WeakPolarHBondContact O-CA 3.07Å; T212-G236 VanDerWaalsContact CG2-N 3.32Å
237R91.7Very high87.1Confident28 Ų2862.7 Ų62.711%0.10634%0.343CS..  trans-161162.7-175.270.3-162.666.6-147.4-10111.2F193 G194 G195 Y235 H240 A253 N254 S255F193-R237 HydrophobicContact CE1-CG 4.31Å; G194-R237 CarbonylContact C-O 3.5Å; G194-R237 WeakPolarHBondContact CA-O 3.33Å; G195-R237 PolarHBondContact N-O 3.29Å; Y235-R237 VanDerWaalsContact N-NH2 3.18Å; Y235-R237 VanDerWaalsContact O-CZ 3.24Å; Y235-R237 PolarHBondContact O-NE 2.87Å; Y235-R237 PolarHBondContact O-NH2 2.65Å; R237-H240 HydrophobicContact CG-CB 4.2Å; R237-A253 PolarHBondContact NH1-O 3.22Å; R237-N254 VanDerWaalsContact NH1-C 3.31Å; R237-N254 VanDerWaalsContact NH1-N 3.17Å; R237-N254 PolarHBondContact NH1-O 3.35Å; R237-N254 PolarHBondContact NH2-O 3.46Å; R237-S255 PolarHBondContact NH2-O 2.8Å
238R93.7Very high86.8Confident53 Ų5365.7 Ų65.720%0.236%0.356CS..SBendtrans-127.6167.1170.871178.6171.3116.3-10.5112.4F180 R196 Y210 H240F180-R238 HydrophobicContact CB-CB 3.83Å; F180-R238 HydrophobicContact CB-CG 4.49Å; F180-R238 CarbonylContact O-C 3.52Å; F180-R238 WeakPolarHBondContact O-CA 3.46Å; R196-R238 HydrophobicContact CB-CB 4.32Å; Y210-R238 HydrophobicContact CD1-CB 4.35Å; Y210-R238 HydrophobicContact CE1-CB 3.84Å; Y210-R238 HydrophobicContact CE1-CG 3.71Å; Y210-R238 PolarHBondContact OH-NE 2.96Å; R238-H240 PolarHBondContact O-N 3.33Å
239S94.5Very high86.9Confident8 Ų858.6 Ų58.66%0.05632%0.324CS..SBendtrans53.942.5176.6-51.30000111.4F180 R271 R272F180-S239 PolarHBondContact O-N 3.39Å; S239-R271 CarbonylContact O-C 3.54Å; S239-R271 WeakPolarHBondContact O-CA 3.45Å; S239-R271 WeakPolarHBondContact O-CB 3.34Å; S239-R272 PolarHBondContact O-N 2.87Å
240H94.4Very high87Confident13 Ų1356.7 Ų56.76%0.0631%0.312CS..  trans-103.2178.2174.863.9-74.4000109.2T182 F193 R237 R238 A253T182-H240 WeakPolarHBondContact CG2-NE2 3.21Å; T182-H240 WeakPolarHBondContact CG2-O 3.48Å; T182-H240 PolarHBondContact OG1-NE2 2.86Å; F193-H240 AromaticContact CD1-NE2 3.51Å; F193-H240 PolarHBondContact O-CE1 2.85Å; F193-H240 PolarHBondContact O-NE2 2.8Å; R237-H240 HydrophobicContact CG-CB 4.2Å; R238-H240 PolarHBondContact O-N 3.33Å; H240-A253 HydrophobicContact CB-CB 4.13Å
241S94.8Very high87.3Confident11 Ų1148.4 Ų48.48%0.07728%0.276CS..EExtended strand (participates in β ladder)trans-118.2145.6173.3-64.10000110.6F252 Q273 C275S241-F252 PolarHBondContact O-N 3.44Å; S241-Q273 PolarHBondContact OG-O 3.24Å; S241-C275 WeakPolarHBondContact CB-SG 3.4Å; S241-C275 PolarHBondContact OG-N 2.87Å
242S94.5Very high87.2Confident18 Ų1846.5 Ų46.513%0.12625%0.249CC..EExtended strand (participates in β ladder)trans-132.8153.4169.568.50000110.3T182 T184 F250 L251T182-S242 WeakPolarHBondContact CB-OG 3.43Å; T182-S242 VanDerWaalsContact OG1-CB 3.32Å; T182-S242 WeakPolarHBondContact OG1-CB 3.19Å; T182-S242 PolarHBondContact OG1-OG 3.03Å; T184-S242 PolarHBondContact OG1-OG 2.95Å; S242-F250 WeakPolarHBondContact CA-O 3.39Å; S242-F250 WeakPolarHBondContact CB-O 3.44Å; S242-L251 VanDerWaalsContact CB-CD2 3.44Å
243W94.7Very high86.5Confident12 Ų1243 Ų435%0.04523%0.226CC..EExtended strand (participates in β ladder)trans-154.8166.9177.666.991.9000110.1F250 F252 C275 P277 V282 L319 F321W243-F250 HydrophobicContact CD2-CB 3.87Å; W243-F250 AromaticContact CE2-CG 3.97Å; W243-F250 HydrophobicContact CE3-CB 4.42Å; W243-F250 HydrophobicContact CG-CB 4.36Å; W243-F250 HydrophobicContact CH2-CB 4.08Å; W243-F250 HydrophobicContact CZ2-CB 3.47Å; W243-F250 VanDerWaalsContact CZ2-CB 3.47Å; W243-F250 HydrophobicContact CZ2-CD1 4.46Å; W243-F250 HydrophobicContact CZ2-CG 4.11Å; W243-F250 PolarHBondContact N-O 3.06Å; W243-F250 VanDerWaalsContact N-O 3.08Å; W243-F250 AromaticContact NE1-CD2 3.78Å; W243-F250 AromaticContact NE1-CG 3.71Å; W243-F250 PolarHBondContact O-N 2.72Å; W243-F252 HydrophobicContact CH2-CB 3.72Å; W243-F252 HydrophobicContact CZ3-CB 3.47Å; W243-F252 VanDerWaalsContact CZ3-CB 3.47Å; W243-C275 HydrophobicContact CE3-CB 3.71Å; W243-C275 HydrophobicContact CZ3-CB 3.96Å; W243-P277 HydrophobicContact CB-CB 4.48Å; W243-P277 HydrophobicContact CB-CG 4.08Å; W243-V282 HydrophobicContact CD2-CG1 4.29Å; W243-V282 HydrophobicContact CD2-CG2 4.21Å; W243-V282 HydrophobicContact CG-CG2 4.14Å; W243-V282 HydrophobicContact CZ2-CG1 4.37Å; W243-V282 HydrophobicContact CZ2-CG2 4.4Å; W243-L319 HydrophobicContact CZ2-CD2 4.19Å; W243-F321 AromaticContact NE1-CZ 3.54Å
244T92.3Very high85.2Confident46 Ų4645.9 Ų45.928%0.28224%0.236SC..EExtended strand (participates in β ladder)trans-105147.1171.162.80000112.1T184 M185 I186 M248T184-T244 HydrophobicContact CG2-CG2 3.15Å; M185-T244 WeakPolarHBondContact O-CG2 3.5Å; I186-T244 HydrophobicContact CD1-CG2 4.26Å; I186-T244 HydrophobicContact CG1-CG2 3.49Å; I186-T244 VanDerWaalsContact CG1-CG2 3.49Å; T244-M248 CarbonylContact C-O 3.54Å; T244-M248 VanDerWaalsContact CA-O 3.25Å; T244-M248 WeakPolarHBondContact CA-O 3.22Å
245Q89.2Confident83.7Confident23 Ų2348.7 Ų48.711%0.10726%0.255CS..EExtended strand (participates in β ladder)trans-144.1123.4164.4-176.369.42.500109G247 M248 F250 G279 F321Q245-G247 VanDerWaalsContact C-N 3.27Å; Q245-G247 PolarHBondContact O-N 2.84Å; Q245-M248 PolarHBondContact N-O 3.17Å; Q245-M248 PolarHBondContact O-N 3.12Å; Q245-F250 HydrophobicContact CB-CD2 4.09Å; Q245-F250 HydrophobicContact CB-CE2 3.66Å; Q245-G279 PolarHBondContact NE2-O 3.35Å; Q245-G279 PolarHBondContact OE1-O 3.25Å; Q245-F321 HydrophobicContact CB-CD1 4.44Å; Q245-F321 HydrophobicContact CB-CE1 3.93Å; Q245-F321 HydrophobicContact CB-CE2 4.02Å; Q245-F321 HydrophobicContact CB-CZ 3.73Å; Q245-F321 HydrophobicContact CG-CD1 3.89Å; Q245-F321 HydrophobicContact CG-CD2 3.74Å; Q245-F321 HydrophobicContact CG-CE1 3.88Å; Q245-F321 HydrophobicContact CG-CE2 3.72Å; Q245-F321 HydrophobicContact CG-CG 3.85Å; Q245-F321 HydrophobicContact CG-CZ 3.82Å
246R85.8Confident82.2Confident173 Ų17342.9 Ų42.965%0.65324%0.235SC*.THydrogen-bonded Turntrans50.743.2179.3-63.3-177173.2-169.1-0.7113.6M248 Y322R246-M248 VanDerWaalsContact C-N 3.25Å; R246-M248 PolarHBondContact O-N 2.66Å; R246-Y322 VanDerWaalsContact CZ-CZ 3.44Å; R246-Y322 PolarHBondContact NH1-OH 2.93Å; R246-Y322 VanDerWaalsContact NH2-CE2 3.3Å
247G81.8Confident80.9Confident54 Ų5444.1 Ų44.156%0.55723%0.233SC*.THydrogen-bonded Turntrans76.93.6178.400000115.2Q245Q245-G247 VanDerWaalsContact C-N 3.27Å; Q245-G247 PolarHBondContact O-N 2.84Å
248M85.1Confident79.6Confident95 Ų9548 Ų4847%0.46826%0.26SS..EExtended strand (participates in β ladder)trans-100.1141172.7-62179.6-73.100110.4T244 Q245 R246 F250T244-M248 CarbonylContact C-O 3.54Å; T244-M248 VanDerWaalsContact CA-O 3.25Å; T244-M248 WeakPolarHBondContact CA-O 3.22Å; Q245-M248 PolarHBondContact N-O 3.17Å; Q245-M248 PolarHBondContact O-N 3.12Å; R246-M248 VanDerWaalsContact C-N 3.25Å; R246-M248 PolarHBondContact O-N 2.66Å; M248-F250 HydrophobicContact CB-CD2 4.3Å; M248-F250 HydrophobicContact CB-CE2 3.58Å; M248-F250 HydrophobicContact CB-CZ 4.07Å; M248-F250 HydrophobicContact CE-CE2 4.09Å; M248-F250 HydrophobicContact CE-CZ 3.73Å; M248-F250 WeakPolarHBondContact O-CD2 3.3Å; M248-F250 HydrophobicContact SD-CZ 4.31Å
249L86.8Confident78.5Confident46 Ų4652.6 Ų52.624%0.24128%0.281CS..EExtended strand (participates in β ladder)trans-86.5127.8170.7-18065.2000109.7T184 I186 L214T184-L249 HydrophobicContact CG2-CD1 3.53Å; I186-L249 HydrophobicContact CD1-CB 4.15Å; L214-L249 HydrophobicContact CD1-CD2 3.84Å; L214-L249 HydrophobicContact CD2-CD2 4.23Å
250F85.4Confident77.6Confident14 Ų1455.4 Ų55.46%0.06130%0.295CS..EExtended strand (participates in β ladder)trans-114.8142.9174.8-67.1-96.5000110.1M1 S242 W243 Q245 M248 L260 F321M1-F250 HydrophobicContact CE-CE1 4.17Å; M1-F250 HydrophobicContact SD-CE1 4.05Å; S242-F250 WeakPolarHBondContact CA-O 3.39Å; S242-F250 WeakPolarHBondContact CB-O 3.44Å; W243-F250 HydrophobicContact CD2-CB 3.87Å; W243-F250 AromaticContact CE2-CG 3.97Å; W243-F250 HydrophobicContact CE3-CB 4.42Å; W243-F250 HydrophobicContact CG-CB 4.36Å; W243-F250 HydrophobicContact CH2-CB 4.08Å; W243-F250 HydrophobicContact CZ2-CB 3.47Å; W243-F250 VanDerWaalsContact CZ2-CB 3.47Å; W243-F250 HydrophobicContact CZ2-CD1 4.46Å; W243-F250 HydrophobicContact CZ2-CG 4.11Å; W243-F250 PolarHBondContact N-O 3.06Å; W243-F250 VanDerWaalsContact N-O 3.08Å; W243-F250 AromaticContact NE1-CD2 3.78Å; W243-F250 AromaticContact NE1-CG 3.71Å; W243-F250 PolarHBondContact O-N 2.72Å; Q245-F250 HydrophobicContact CB-CD2 4.09Å; Q245-F250 HydrophobicContact CB-CE2 3.66Å; M248-F250 HydrophobicContact CB-CD2 4.3Å; M248-F250 HydrophobicContact CB-CE2 3.58Å; M248-F250 HydrophobicContact CB-CZ 4.07Å; M248-F250 HydrophobicContact CE-CE2 4.09Å; M248-F250 HydrophobicContact CE-CZ 3.73Å; M248-F250 WeakPolarHBondContact O-CD2 3.3Å; M248-F250 HydrophobicContact SD-CZ 4.31Å; F250-L260 HydrophobicContact CD1-CD1 3.87Å; F250-L260 HydrophobicContact CE1-CD1 3.61Å; F250-F321 HydrophobicContact CD1-CE1 4.33Å; F250-F321 HydrophobicContact CD2-CE1 4.45Å; F250-F321 AromaticContact CE1-CE1 3.82Å; F250-F321 HydrophobicContact CE1-CE1 3.82Å; F250-F321 AromaticContact CE2-CE1 3.97Å; F250-F321 HydrophobicContact CE2-CE1 3.97Å; F250-F321 HydrophobicContact CE2-CZ 4.47Å; F250-F321 HydrophobicContact CZ-CD1 4.38Å; F250-F321 AromaticContact CZ-CE1 3.63Å; F250-F321 HydrophobicContact CZ-CE1 3.63Å
251L83.8Confident76.7Confident16 Ų1664.1 Ų64.18%0.08433%0.329CS..EExtended strand (participates in β ladder)trans-122.4125.1176.1-59.7173.3000108F193 P234 S242 L256F193-L251 HydrophobicContact CD1-CD1 3.6Å; F193-L251 HydrophobicContact CD1-CD2 3.9Å; F193-L251 HydrophobicContact CD1-CG 4.39Å; F193-L251 HydrophobicContact CE1-CD1 3.74Å; F193-L251 HydrophobicContact CG-CD1 4.12Å; F193-L251 HydrophobicContact CG-CD2 4.48Å; F193-L251 HydrophobicContact CZ-CD1 4.35Å; P234-L251 HydrophobicContact CG-CD1 4.48Å; S242-L251 VanDerWaalsContact CB-CD2 3.44Å; L251-L256 HydrophobicContact CB-CD2 4.2Å
252F74Confident76.1Confident29 Ų2965.6 Ų65.613%0.12734%0.337CS..EExtended strand (participates in β ladder)trans-98.9101.6169.1-174.5-88.1000110.2W3 S241 W243 P267 R270 Q273 M284W3-F252 HydrophobicContact CH2-CD2 4.31Å; W3-F252 HydrophobicContact CH2-CE2 4.08Å; W3-F252 HydrophobicContact CZ2-CD2 4.02Å; W3-F252 AromaticContact CZ2-CE2 3.67Å; W3-F252 HydrophobicContact CZ2-CE2 3.67Å; S241-F252 PolarHBondContact O-N 3.44Å; W243-F252 HydrophobicContact CH2-CB 3.72Å; W243-F252 HydrophobicContact CZ3-CB 3.47Å; W243-F252 VanDerWaalsContact CZ3-CB 3.47Å; F252-P267 HydrophobicContact CE2-CG 4.02Å; F252-P267 HydrophobicContact CZ-CB 3.98Å; F252-P267 HydrophobicContact CZ-CG 3.79Å; F252-R270 HydrophobicContact CE1-CG 4.3Å; F252-Q273 PolarHBondContact O-NE2 2.9Å; F252-M284 HydrophobicContact CD1-CE 4.44Å; F252-M284 HydrophobicContact CD1-SD 3.45Å; F252-M284 WeakPolarHBondContact CD1-SD 3.32Å; F252-M284 HydrophobicContact CD2-SD 3.98Å; F252-M284 HydrophobicContact CE1-CE 3.65Å; F252-M284 HydrophobicContact CE1-SD 3.17Å; F252-M284 WeakPolarHBondContact CE1-SD 3.07Å; F252-M284 HydrophobicContact CE2-SD 3.74Å; F252-M284 HydrophobicContact CG-SD 3.85Å; F252-M284 HydrophobicContact CZ-CE 3.74Å; F252-M284 HydrophobicContact CZ-SD 3.34Å; F252-M284 WeakPolarHBondContact CZ-SD 3.34Å
253A60.4Low75.7Confident27 Ų2772.9 Ų72.922%0.22336%0.363CS..SBendtrans-178.8175.3161.700000109.5R237 H240 S255R237-A253 PolarHBondContact NH1-O 3.22Å; H240-A253 HydrophobicContact CB-CB 4.13Å; A253-S255 PolarHBondContact O-N 3.27Å; A253-S255 VanDerWaalsContact O-N 3.17Å
254N51.6Low75.2Confident104 Ų10472.8 Ų72.856%0.55637%0.366SS*.SBendtrans-57.2115.3-176.1-81.2-9.6000113.9R237 P269R237-N254 VanDerWaalsContact NH1-C 3.31Å; R237-N254 VanDerWaalsContact NH1-N 3.17Å; R237-N254 PolarHBondContact NH1-O 3.35Å; R237-N254 PolarHBondContact NH2-O 3.46Å; N254-P269 WeakPolarHBondContact OD1-CB 3.44Å; N254-P269 WeakPolarHBondContact OD1-CG 3.48Å
255S49.5Very low74.7Confident60 Ų6073.2 Ų73.242%0.4237%0.367SS..  trans77.9134.6176.9-38.50000115.6P234 R237 A253P234-S255 WeakPolarHBondContact CB-O 3.22Å; R237-S255 PolarHBondContact NH2-O 2.8Å; A253-S255 PolarHBondContact O-N 3.27Å; A253-S255 VanDerWaalsContact O-N 3.17Å
256L53.4Low74.6Confident46 Ų4676 Ų7624%0.24139%0.388CS..  trans-130.4166.7-167.3-88.1157.7000110.5L251 T258 L260L251-L256 HydrophobicContact CB-CD2 4.2Å; L256-T258 VanDerWaalsContact CB-O 3.3Å; L256-T258 WeakPolarHBondContact CB-O 3.28Å; L256-T258 PolarHBondContact O-N 2.72Å; L256-L260 HydrophobicContact CD1-CB 4.46Å; L256-L260 HydrophobicContact CD1-CG 4.5Å
257W60.7Low74.7Confident51 Ų5168 Ų6819%0.19336%0.358CS..SBendtrans-70.7-10.8168.2-70.6103000114.5T229 A233 P234T229-W257 VanDerWaalsContact CB-CE3 3.49Å; T229-W257 VanDerWaalsContact CB-CH2 3.43Å; T229-W257 HydrophobicContact CG2-CD2 3.99Å; T229-W257 HydrophobicContact CG2-CE3 4.21Å; T229-W257 HydrophobicContact CG2-CH2 4.05Å; T229-W257 HydrophobicContact CG2-CZ2 3.81Å; T229-W257 HydrophobicContact CG2-CZ3 4.23Å; T229-W257 WeakPolarHBondContact OG1-CH2 3.39Å; T229-W257 WeakPolarHBondContact OG1-CZ2 3.36Å; T229-W257 WeakPolarHBondContact OG1-CZ3 3.23Å; A233-W257 HydrophobicContact CB-CE3 4.4Å; A233-W257 HydrophobicContact CB-CH2 3.16Å; A233-W257 HydrophobicContact CB-CZ2 3.53Å; A233-W257 HydrophobicContact CB-CZ3 3.67Å; P234-W257 VanDerWaalsContact CD-CD2 3.45Å; P234-W257 HydrophobicContact CG-CG 4.35Å
258T66.1Low75Confident110 Ų11070.9 Ų70.968%0.67536%0.356SS*.SBendtrans-156.3122.2154.7-68.50000106.1L256 L260L256-T258 VanDerWaalsContact CB-O 3.3Å; L256-T258 WeakPolarHBondContact CB-O 3.28Å; L256-T258 PolarHBondContact O-N 2.72Å; T258-L260 PolarHBondContact O-N 3.24Å; T258-L260 VanDerWaalsContact O-N 3.13Å
259K70.5Confident75.1Confident148 Ų14869.8 Ų69.864%0.64336%0.356SS*.  trans-67.1115.9-179.5-174177.9179.2179.90109.5
260L74.3Confident75.3Confident68 Ų6868.4 Ų68.436%0.35635%0.347SS..  trans-82.5128.5175-66.4166.1000109.5M1 F250 L256 T258 V262M1-L260 HydrophobicContact CE-CB 4.24Å; M1-L260 HydrophobicContact CE-CD1 3.61Å; M1-L260 HydrophobicContact CE-CD2 3.87Å; M1-L260 HydrophobicContact CE-CG 4.11Å; F250-L260 HydrophobicContact CD1-CD1 3.87Å; F250-L260 HydrophobicContact CE1-CD1 3.61Å; L256-L260 HydrophobicContact CD1-CB 4.46Å; L256-L260 HydrophobicContact CD1-CG 4.5Å; T258-L260 PolarHBondContact O-N 3.24Å; T258-L260 VanDerWaalsContact O-N 3.13Å; L260-V262 HydrophobicContact CB-CG2 4.43Å
261Y76Confident75.7Confident195 Ų19570.8 Ų70.877%0.76536%0.356SS*.  trans-82.7120.5166.5-68.3-87.6000108.2
262V83.1Confident76.2Confident43 Ų4371.6 Ų71.626%0.26136%0.358SS..  trans-118.2129.8180-175.30000107M1 W3 L260 L319M1-V262 HydrophobicContact CB-CG1 4.05Å; M1-V262 HydrophobicContact CB-CG2 4.35Å; W3-V262 VanDerWaalsContact CD1-CG1 3.44Å; W3-V262 HydrophobicContact CG-CG1 4.2Å; L260-V262 HydrophobicContact CB-CG2 4.43Å; V262-L319 HydrophobicContact CG1-CD1 3.47Å; V262-L319 VanDerWaalsContact CG1-CD1 3.47Å
263Y84.7Confident77.2Confident170 Ų17070.6 Ų70.667%0.66735%0.353SS*.BIsolated β-bridgetrans-75.5158.7-179.9-63.3-83.5000111.8M1 H2 W3M1-Y263 PolarHBondContact O-N 3.26Å; H2-Y263 CarbonylContact C-O 3.51Å; H2-Y263 WeakPolarHBondContact CA-O 3.46Å; H2-Y263 WeakPolarHBondContact CD2-CB 3.43Å; H2-Y263 PolarHBondContact ND1-O 3.16Å; W3-Y263 PolarHBondContact N-O 3.24Å
264G84Confident78.9Confident11 Ų1170 Ų7011%0.11335%0.347CS..SBendtrans79173.9-178.100000113.9H2 C266H2-G264 VanDerWaalsContact CE1-CA 3.49Å; H2-G264 WeakPolarHBondContact CE1-CA 3.21Å; G264-C266 PolarHBondContact O-N 3.11Å
265N83Confident81.1Confident54 Ų5465.8 Ų65.829%0.28933%0.326SS..  trans-66.5108.9179.6-84-10.2000112W3 Y317 K359 E360W3-N265 VanDerWaalsContact CB-O 3.3Å; W3-N265 WeakPolarHBondContact CB-O 3.49Å; N265-Y317 WeakPolarHBondContact O-CE1 3.29Å; N265-K359 PolarHBondContact ND2-O 3.41Å; N265-E360 WeakPolarHBondContact ND2-CA 3.46Å; N265-E360 PolarHBondContact ND2-N 3.25Å; N265-E360 WeakPolarHBondContact OD1-CA 3.4Å
266C85.8Confident83.4Confident82 Ų8263.3 Ų63.355%0.55431%0.308SS*.PPolyproline II helixtrans-74.8150.4171.963.70000111.9W3 G264W3-C266 HydrophobicContact CG-CB 4.4Å; G264-C266 PolarHBondContact O-N 3.11Å
267P89.6Confident85.4Confident4 Ų463.7 Ų63.73%0.02631%0.313CS..PPolyproline II helixtrans-61.2149.6170.8-6.111.7000111.7W3 F252 M284 Y317W3-P267 HydrophobicContact CD2-CG 4.48Å; W3-P267 VanDerWaalsContact CE2-CD 3.5Å; W3-P267 HydrophobicContact CE3-CG 4.36Å; W3-P267 HydrophobicContact CH2-CG 3.88Å; W3-P267 HydrophobicContact CZ2-CG 4.03Å; W3-P267 HydrophobicContact CZ3-CG 4.05Å; F252-P267 HydrophobicContact CE2-CG 4.02Å; F252-P267 HydrophobicContact CZ-CB 3.98Å; F252-P267 HydrophobicContact CZ-CG 3.79Å; P267-M284 HydrophobicContact CB-CE 3.24Å; P267-M284 HydrophobicContact CB-SD 4.32Å; P267-M284 HydrophobicContact CG-CE 3.4Å; P267-M284 VanDerWaalsContact CG-CE 3.4Å; P267-M284 HydrophobicContact CG-SD 3.87Å; P267-Y317 HydrophobicContact CB-CD1 4.36Å; P267-Y317 HydrophobicContact CB-CD2 3.68Å; P267-Y317 HydrophobicContact CB-CE1 4.37Å; P267-Y317 HydrophobicContact CB-CE2 3.67Å; P267-Y317 HydrophobicContact CB-CG 4.02Å; P267-Y317 HydrophobicContact CG-CD1 3.86Å; P267-Y317 HydrophobicContact CG-CD2 3.72Å; P267-Y317 HydrophobicContact CG-CE1 4.3Å; P267-Y317 HydrophobicContact CG-CE2 4.15Å; P267-Y317 HydrophobicContact CG-CG 3.54Å
268K87Confident87Confident116 Ų11663.2 Ų63.250%0.50431%0.314SS..PPolyproline II helixtrans-54.5142170.5-67.3-177.3-179.4179.20111.2R270K268-R270 PolarHBondContact O-N 3.01Å; K268-R270 PolarHBondContact O-NE 3.49Å; K268-R270 VanDerWaalsContact O-NE 3.09Å
269P87.6Confident88.3Confident72 Ų7261 Ų6147%0.46831%0.313SS..SBendtrans-51.2127.1169.1-26.935.3000111N254 S289N254-P269 WeakPolarHBondContact OD1-CB 3.44Å; N254-P269 WeakPolarHBondContact OD1-CG 3.48Å; P269-S289 PolarHBondContact O-OG 3.24Å
270R91.9Very high89.4Confident16 Ų1656.1 Ų56.16%0.0629%0.294CS..  trans-154.9167.8-173.567.2-176.674.1177.1-2.7111.5F252 K268 Q273 M284 G286 T288 S289 H313 D315F252-R270 HydrophobicContact CE1-CG 4.3Å; K268-R270 PolarHBondContact O-N 3.01Å; K268-R270 PolarHBondContact O-NE 3.49Å; K268-R270 VanDerWaalsContact O-NE 3.09Å; R270-Q273 HydrophobicContact CG-CB 4.44Å; R270-Q273 HydrophobicContact CG-CG 4.41Å; R270-Q273 PolarHBondContact O-OE1 3.13Å; R270-M284 HydrophobicContact CG-CE 4.18Å; R270-G286 WeakPolarHBondContact CD-O 3.1Å; R270-G286 PolarHBondContact NH1-O 3.29Å; R270-G286 VanDerWaalsContact NH1-O 3.11Å; R270-T288 WeakPolarHBondContact CA-O 3.4Å; R270-T288 VanDerWaalsContact CB-O 3.27Å; R270-T288 WeakPolarHBondContact CB-O 3.23Å; R270-S289 WeakPolarHBondContact CB-OG 3.5Å; R270-H313 VanDerWaalsContact CZ-CD2 3.48Å; R270-D315 IonicContact CZ-OD1 3.31Å; R270-D315 IonicContact CZ-OD2 3.96Å; R270-D315 IonicContact NH1-OD1 3.97Å; R270-D315 PolarHBondContact NH1-OD1 2.95Å; R270-D315 IonicContact NH1-OD2 3.24Å; R270-D315 PolarHBondContact NH1-OD2 3.06Å; R270-D315 IonicContact NH2-OD1 2.66Å; R270-D315 PolarHBondContact NH2-OD1 2.71Å; R270-D315 IonicContact NH2-OD2 3.56Å; R270-D315 PolarHBondContact NH2-OD2 3Å
271R92.3Very high90.4Very high65 Ų6555.3 Ų55.325%0.24529%0.288CS..EExtended strand (participates in β ladder)trans-126.8168.7172.157.7165.2-171.4150.3-0.1110.1S239 Q273 G287 T288S239-R271 CarbonylContact O-C 3.54Å; S239-R271 WeakPolarHBondContact O-CA 3.45Å; S239-R271 WeakPolarHBondContact O-CB 3.34Å; R271-Q273 PolarHBondContact O-N 3.06Å; R271-G287 CarbonylContact O-C 3.56Å; R271-G287 WeakPolarHBondContact O-CA 3.39Å; R271-T288 HydrophobicContact CG-CG2 3.95Å; R271-T288 PolarHBondContact N-O 3.22Å; R271-T288 PolarHBondContact O-N 2.8Å
272R94.3Very high91.3Very high33 Ų3346.1 Ų46.113%0.12525%0.252CS..EExtended strand (participates in β ladder)trans67.816.1174.2-48.9-179.5170.5166.8-11.8114.4V14 N15 S239 T288V14-R272 HydrophobicContact CB-CB 3.77Å; V14-R272 HydrophobicContact CB-CG 4.43Å; N15-R272 PolarHBondContact N-O 2.89Å; N15-R272 VanDerWaalsContact N-O 3.08Å; N15-R272 WeakPolarHBondContact OD1-CB 3.3Å; N15-R272 WeakPolarHBondContact OD1-CG 3.3Å; S239-R272 PolarHBondContact O-N 2.87Å; R272-T288 HydrophobicContact CG-CG2 4.41Å
273Q95.6Very high92Very high8 Ų844.2 Ų44.24%0.03724%0.24CC..EExtended strand (participates in β ladder)trans-82.8162.417376.8-73.1-6.300111.5S241 F252 R270 R271 M284 F285S241-Q273 PolarHBondContact OG-O 3.24Å; F252-Q273 PolarHBondContact O-NE2 2.9Å; R270-Q273 HydrophobicContact CG-CB 4.44Å; R270-Q273 HydrophobicContact CG-CG 4.41Å; R270-Q273 PolarHBondContact O-OE1 3.13Å; R271-Q273 PolarHBondContact O-N 3.06Å; Q273-M284 HydrophobicContact CB-CG 4.44Å; Q273-M284 HydrophobicContact CG-CE 4.48Å; Q273-M284 HydrophobicContact CG-CG 3.92Å; Q273-M284 HydrophobicContact CG-SD 4.13Å; Q273-F285 WeakPolarHBondContact CB-O 3.4Å
274C96.9Very high92.5Very high14 Ų1436.1 Ų36.110%0.09521%0.208CC..EExtended strand (participates in β ladder)trans-101143.8164.1-77.30000110.7H16 A18 M284 F285H16-C274 PolarHBondContact CD2-SG 2.83Å; H16-C274 WeakPolarHBondContact NE2-CB 3.38Å; H16-C274 PolarHBondContact NE2-SG 3.29Å; H16-C274 PolarHBondContact O-SG 3.08Å; A18-C274 HydrophobicContact CB-CB 4.04Å; C274-M284 VanDerWaalsContact O-CA 3.27Å; C274-M284 WeakPolarHBondContact O-CA 3.49Å; C274-F285 HydrophobicContact CB-CE1 4.11Å; C274-F285 HydrophobicContact CB-CE2 4.33Å; C274-F285 HydrophobicContact CB-CZ 3.94Å; C274-F285 PolarHBondContact N-O 3.16Å; C274-F285 VanDerWaalsContact N-O 3.1Å; C274-F285 PolarHBondContact O-N 2.71Å; C274-F285 VanDerWaalsContact O-N 3.1Å
275C96.6Very high93.1Very high15 Ų1535.8 Ų35.810%0.10120%0.203CC..EExtended strand (participates in β ladder)trans-120.7119.9163.7-64.40000109S241 W243 V282 F283S241-C275 WeakPolarHBondContact CB-SG 3.4Å; S241-C275 PolarHBondContact OG-N 2.87Å; W243-C275 HydrophobicContact CE3-CB 3.71Å; W243-C275 HydrophobicContact CZ3-CB 3.96Å; C275-V282 HydrophobicContact CB-CG1 3.92Å; C275-F283 CarbonylContact C-O 3.58Å; C275-F283 WeakPolarHBondContact CA-O 3.44Å
276V97.2Very high93.7Very high8 Ų833.2 Ų33.25%0.04819%0.19CC..EExtended strand (participates in β ladder)trans-118111.3-176.6-173.90000109.6A18 A20 I25 I278 F283 F285A18-V276 HydrophobicContact CB-CG2 3.79Å; A20-V276 HydrophobicContact CB-CG1 3.62Å; I25-V276 HydrophobicContact CD1-CB 4.16Å; I25-V276 HydrophobicContact CD1-CG1 4.34Å; I25-V276 HydrophobicContact CG1-CB 4.47Å; I25-V276 HydrophobicContact CG1-CG1 4.16Å; I25-V276 HydrophobicContact CG2-CB 4.38Å; I25-V276 HydrophobicContact CG2-CG1 4.36Å; I25-V276 HydrophobicContact CG2-CG2 3.99Å; V276-I278 HydrophobicContact CG1-CG1 4.48Å; V276-F283 PolarHBondContact N-O 3.07Å; V276-F283 PolarHBondContact O-N 2.64Å; V276-F285 HydrophobicContact CG2-CE1 4.14Å
277P96Very high94.1Very high54 Ų5429.3 Ų29.335%0.35116%0.163SC..EExtended strand (participates in β ladder)trans-77.4133.3176.531.6-34.8000111.4W243 K281 V282W243-P277 HydrophobicContact CB-CB 4.48Å; W243-P277 HydrophobicContact CB-CG 4.08Å; P277-K281 WeakPolarHBondContact CA-O 3.47Å; P277-V282 HydrophobicContact CB-CG2 4.01Å
278I95.5Very high94.3Very high41 Ų4129.1 Ų29.121%0.2116%0.162CC..EExtended strand (participates in β ladder)trans-138.5109.2171.2-59.1171.6000108.3A20 I25 T50 V276 N280 K281 F283A20-I278 HydrophobicContact CB-CD1 3.56Å; A20-I278 HydrophobicContact CB-CG1 3.5Å; A20-I278 VanDerWaalsContact CB-CG1 3.5Å; I25-I278 HydrophobicContact CD1-CD1 3.92Å; I25-I278 HydrophobicContact CG1-CD1 3.57Å; T50-I278 HydrophobicContact CG2-CD1 3.65Å; V276-I278 HydrophobicContact CG1-CG1 4.48Å; I278-N280 PolarHBondContact O-N 2.77Å; I278-K281 PolarHBondContact N-O 2.64Å; I278-K281 PolarHBondContact O-N 3.48Å; I278-F283 HydrophobicContact CB-CE2 4.08Å; I278-F283 HydrophobicContact CD1-CD2 4.17Å; I278-F283 HydrophobicContact CD1-CE2 4.08Å; I278-F283 HydrophobicContact CG1-CD2 4.46Å; I278-F283 HydrophobicContact CG1-CE2 4.4Å
279G93.3Very high94.4Very high63 Ų6323.9 Ų23.965%0.64914%0.14SC*.THydrogen-bonded Turntrans59-107.9179.400000112.8Q245Q245-G279 PolarHBondContact NE2-O 3.35Å; Q245-G279 PolarHBondContact OE1-O 3.25Å
280N93.5Very high94.3Very high46 Ų4625.1 Ų25.125%0.24615%0.148CC..THydrogen-bonded Turntrans-99.15.3-179.3179.545.4000113.4I278 F321 Y322I278-N280 PolarHBondContact O-N 2.77Å; N280-F321 WeakPolarHBondContact O-CD2 3.22Å; N280-F321 PolarHBondContact O-N 3.46Å; N280-F321 WeakPolarHBondContact OD1-CB 3.19Å; N280-Y322 PolarHBondContact ND2-N 2.87Å; N280-Y322 PolarHBondContact ND2-O 3.35Å; N280-Y322 WeakPolarHBondContact OD1-CD2 3.47Å; N280-Y322 PolarHBondContact OD1-N 3.04Å
281K94.6Very high93.8Very high52 Ų5227.6 Ų27.623%0.22616%0.162CC..EExtended strand (participates in β ladder)trans-123.8151.5-174.1-47.3-159.2-171.2-164.20111Y53 P277 I278 F283 V318 L319 E320Y53-K281 PolarHBondContact OH-NZ 3.05Å; P277-K281 WeakPolarHBondContact CA-O 3.47Å; I278-K281 PolarHBondContact N-O 2.64Å; I278-K281 PolarHBondContact O-N 3.48Å; K281-F283 HydrophobicContact CB-CD2 4.4Å; K281-F283 HydrophobicContact CB-CE2 3.71Å; K281-F283 HydrophobicContact CB-CZ 4.1Å; K281-F283 HydrophobicContact CD-CZ 4.09Å; K281-V318 HydrophobicContact CB-CG1 4.06Å; K281-V318 HydrophobicContact CD-CG1 3.76Å; K281-V318 HydrophobicContact CG-CG1 4.41Å; K281-L319 CarbonylContact C-O 3.57Å; K281-L319 VanDerWaalsContact CA-O 3.25Å; K281-L319 WeakPolarHBondContact CA-O 3.49Å; K281-E320 HydrophobicContact CD-CG 3.91Å; K281-E320 WeakPolarHBondContact CE-OE1 3.45Å; K281-E320 HydrophobicContact CG-CG 3.98Å; K281-E320 IonicContact NZ-OE1 3.59Å; K281-E320 PolarHBondContact NZ-OE1 3.16Å
282V95.7Very high92.5Very high1 Ų130.3 Ų30.31%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-121.8128.1164.9168.80000107.8W243 C275 P277 V318 L319 F321W243-V282 HydrophobicContact CD2-CG1 4.29Å; W243-V282 HydrophobicContact CD2-CG2 4.21Å; W243-V282 HydrophobicContact CG-CG2 4.14Å; W243-V282 HydrophobicContact CZ2-CG1 4.37Å; W243-V282 HydrophobicContact CZ2-CG2 4.4Å; C275-V282 HydrophobicContact CB-CG1 3.92Å; P277-V282 HydrophobicContact CB-CG2 4.01Å; V282-V318 WeakPolarHBondContact O-CA 3.09Å; V282-L319 HydrophobicContact CB-CB 4.28Å; V282-L319 PolarHBondContact N-O 3.35Å; V282-L319 PolarHBondContact O-N 3.26Å; V282-F321 HydrophobicContact CG2-CE2 3.68Å; V282-F321 HydrophobicContact CG2-CZ 4.09Å
283F96.6Very high90.6Very high4 Ų431.6 Ų31.62%0.01820%0.198CC..EExtended strand (participates in β ladder)trans-101118.6177.6-62.2-98.6000108I25 F48 T50 Y53 C275 V276 I278 K281 L316 Y317 V318I25-F283 HydrophobicContact CD1-CB 3.47Å; I25-F283 VanDerWaalsContact CD1-CB 3.47Å; I25-F283 HydrophobicContact CD1-CD1 4.15Å; I25-F283 HydrophobicContact CD1-CD2 3.78Å; I25-F283 HydrophobicContact CD1-CG 3.53Å; F48-F283 HydrophobicContact CD1-CD1 4.28Å; F48-F283 AromaticContact CE1-CD1 3.66Å; F48-F283 HydrophobicContact CE1-CD1 3.66Å; F48-F283 AromaticContact CE1-CE1 3.71Å; F48-F283 HydrophobicContact CE1-CE1 3.71Å; T50-F283 HydrophobicContact CG2-CD1 4.47Å; T50-F283 HydrophobicContact CG2-CD2 4.45Å; T50-F283 HydrophobicContact CG2-CE1 3.95Å; T50-F283 HydrophobicContact CG2-CE2 3.91Å; T50-F283 HydrophobicContact CG2-CZ 3.64Å; Y53-F283 HydrophobicContact CE1-CE1 4.38Å; C275-F283 CarbonylContact C-O 3.58Å; C275-F283 WeakPolarHBondContact CA-O 3.44Å; V276-F283 PolarHBondContact N-O 3.07Å; V276-F283 PolarHBondContact O-N 2.64Å; I278-F283 HydrophobicContact CB-CE2 4.08Å; I278-F283 HydrophobicContact CD1-CD2 4.17Å; I278-F283 HydrophobicContact CD1-CE2 4.08Å; I278-F283 HydrophobicContact CG1-CD2 4.46Å; I278-F283 HydrophobicContact CG1-CE2 4.4Å; K281-F283 HydrophobicContact CB-CD2 4.4Å; K281-F283 HydrophobicContact CB-CE2 3.71Å; K281-F283 HydrophobicContact CB-CZ 4.1Å; K281-F283 HydrophobicContact CD-CZ 4.09Å; F283-L316 HydrophobicContact CB-CD1 4.41Å; F283-L316 HydrophobicContact CD1-CD1 4.46Å; F283-L316 HydrophobicContact CD1-CD2 3.95Å; F283-Y317 WeakPolarHBondContact CA-O 3.21Å; F283-V318 HydrophobicContact CD1-CG2 3.54Å; F283-V318 HydrophobicContact CE1-CG1 4.2Å; F283-V318 HydrophobicContact CE1-CG2 3.62Å; F283-V318 HydrophobicContact CG-CG2 4.45Å; F283-V318 HydrophobicContact CZ-CG1 4.43Å
284M96.1Very high88.5Confident0 Ų040.4 Ų40.40%024%0.239CC..EExtended strand (participates in β ladder)trans-113.3129.3178.3-175.8-171.8110.200109.9W3 F252 P267 R270 Q273 C274 L316 Y317W3-M284 HydrophobicContact CH2-CB 4.44Å; W3-M284 HydrophobicContact CH2-SD 4.44Å; W3-M284 HydrophobicContact CZ3-CB 4.49Å; F252-M284 HydrophobicContact CD1-CE 4.44Å; F252-M284 HydrophobicContact CD1-SD 3.45Å; F252-M284 WeakPolarHBondContact CD1-SD 3.32Å; F252-M284 HydrophobicContact CD2-SD 3.98Å; F252-M284 HydrophobicContact CE1-CE 3.65Å; F252-M284 HydrophobicContact CE1-SD 3.17Å; F252-M284 WeakPolarHBondContact CE1-SD 3.07Å; F252-M284 HydrophobicContact CE2-SD 3.74Å; F252-M284 HydrophobicContact CG-SD 3.85Å; F252-M284 HydrophobicContact CZ-CE 3.74Å; F252-M284 HydrophobicContact CZ-SD 3.34Å; F252-M284 WeakPolarHBondContact CZ-SD 3.34Å; P267-M284 HydrophobicContact CB-CE 3.24Å; P267-M284 HydrophobicContact CB-SD 4.32Å; P267-M284 HydrophobicContact CG-CE 3.4Å; P267-M284 VanDerWaalsContact CG-CE 3.4Å; P267-M284 HydrophobicContact CG-SD 3.87Å; R270-M284 HydrophobicContact CG-CE 4.18Å; Q273-M284 HydrophobicContact CB-CG 4.44Å; Q273-M284 HydrophobicContact CG-CE 4.48Å; Q273-M284 HydrophobicContact CG-CG 3.92Å; Q273-M284 HydrophobicContact CG-SD 4.13Å; C274-M284 VanDerWaalsContact O-CA 3.27Å; C274-M284 WeakPolarHBondContact O-CA 3.49Å; M284-L316 CarbonylContact O-C 3.58Å; M284-L316 VanDerWaalsContact O-CA 3.29Å; M284-L316 WeakPolarHBondContact O-CA 3.38Å; M284-Y317 PolarHBondContact N-O 2.71Å; M284-Y317 PolarHBondContact O-N 2.94Å
285F96.8Very high85.9Confident3 Ų348 Ų481%0.01327%0.271CS..EExtended strand (participates in β ladder)trans-152.5159.4-179.759.8-83.8000112.8H16 A18 I25 W55 Q273 C274 V276 D315 L316H16-F285 AromaticContact CD2-CE2 3.83Å; H16-F285 AromaticContact NE2-CD2 3.61Å; H16-F285 AromaticContact NE2-CE2 3.21Å; H16-F285 WeakPolarHBondContact NE2-CE2 3.38Å; H16-F285 AromaticContact NE2-CZ 3.98Å; A18-F285 HydrophobicContact CB-CE1 4.38Å; A18-F285 HydrophobicContact CB-CZ 3.61Å; I25-F285 HydrophobicContact CG2-CE1 4Å; I25-F285 HydrophobicContact CG2-CZ 4.04Å; W55-F285 HydrophobicContact CH2-CD1 4.34Å; W55-F285 AromaticContact CH2-CD2 3.79Å; W55-F285 HydrophobicContact CH2-CD2 3.79Å; W55-F285 HydrophobicContact CH2-CE1 4.24Å; W55-F285 AromaticContact CH2-CE2 3.66Å; W55-F285 HydrophobicContact CH2-CE2 3.66Å; W55-F285 HydrophobicContact CH2-CG 4.13Å; W55-F285 AromaticContact CH2-CZ 3.89Å; W55-F285 HydrophobicContact CH2-CZ 3.89Å; W55-F285 HydrophobicContact CZ2-CB 4.37Å; W55-F285 HydrophobicContact CZ2-CD1 4.33Å; W55-F285 AromaticContact CZ2-CD2 3.93Å; W55-F285 HydrophobicContact CZ2-CD2 3.93Å; W55-F285 HydrophobicContact CZ2-CE2 4.28Å; W55-F285 AromaticContact CZ2-CG 3.95Å; W55-F285 HydrophobicContact CZ2-CG 3.95Å; Q273-F285 WeakPolarHBondContact CB-O 3.4Å; C274-F285 HydrophobicContact CB-CE1 4.11Å; C274-F285 HydrophobicContact CB-CE2 4.33Å; C274-F285 HydrophobicContact CB-CZ 3.94Å; C274-F285 PolarHBondContact N-O 3.16Å; C274-F285 VanDerWaalsContact N-O 3.1Å; C274-F285 PolarHBondContact O-N 2.71Å; C274-F285 VanDerWaalsContact O-N 3.1Å; V276-F285 HydrophobicContact CG2-CE1 4.14Å; F285-D315 WeakPolarHBondContact CA-O 3.27Å; F285-D315 WeakPolarHBondContact CB-O 3.25Å; F285-L316 HydrophobicContact CB-CB 3.9Å; F285-L316 HydrophobicContact CB-CD1 4.02Å; F285-L316 HydrophobicContact CB-CG 4.01Å; F285-L316 HydrophobicContact CD1-CD1 3.92Å; F285-L316 HydrophobicContact CG-CD1 4.19Å
286G95.2Very high83.5Confident0 Ų050.8 Ų50.80%029%0.29CS..EExtended strand (participates in β ladder)trans70.5-154.1-178.200000113.4R270 H313R270-G286 WeakPolarHBondContact CD-O 3.1Å; R270-G286 PolarHBondContact NH1-O 3.29Å; R270-G286 VanDerWaalsContact NH1-O 3.11Å; G286-H313 WeakPolarHBondContact CA-O 3.29Å
287G94.3Very high80.9Confident0 Ų059.4 Ų59.40%033%0.33CS..EExtended strand (participates in β ladder)trans78.6-175.1-175.400000113.3R13 R271 D312 H313R13-G287 PolarHBondContact O-N 2.79Å; R271-G287 CarbonylContact O-C 3.56Å; R271-G287 WeakPolarHBondContact O-CA 3.39Å; G287-D312 WeakPolarHBondContact O-CA 3.19Å; G287-H313 PolarHBondContact O-CD2 2.94Å; G287-H313 PolarHBondContact O-N 3.48Å
288T92.6Very high78.4Confident1 Ų163.1 Ų63.11%0.00635%0.346CS..EExtended strand (participates in β ladder)trans-143.6144.6-168.7-163.30000111.9V14 R270 R271 R272 L310 T311 D312V14-T288 HydrophobicContact CG1-CG2 4.44Å; R270-T288 WeakPolarHBondContact CA-O 3.4Å; R270-T288 VanDerWaalsContact CB-O 3.27Å; R270-T288 WeakPolarHBondContact CB-O 3.23Å; R271-T288 HydrophobicContact CG-CG2 3.95Å; R271-T288 PolarHBondContact N-O 3.22Å; R271-T288 PolarHBondContact O-N 2.8Å; R272-T288 HydrophobicContact CG-CG2 4.41Å; T288-L310 HydrophobicContact CG2-CD1 4.31Å; T288-L310 WeakPolarHBondContact OG1-CB 3.38Å; T288-T311 WeakPolarHBondContact CA-O 3.2Å; T288-T311 PolarHBondContact OG1-O 3.18Å; T288-D312 VanDerWaalsContact CB-OD1 3.23Å; T288-D312 WeakPolarHBondContact CB-OD1 3.44Å; T288-D312 PolarHBondContact OG1-OD1 3.36Å
289S90.4Very high75.9Confident6 Ų665.9 Ų65.94%0.04237%0.367CS..EExtended strand (participates in β ladder)trans-126.4157.9176.1-61.70000110.4P269 R270 L310 T311 H313P269-S289 PolarHBondContact O-OG 3.24Å; R270-S289 WeakPolarHBondContact CB-OG 3.5Å; S289-L310 CarbonylContact O-C 3.51Å; S289-L310 WeakPolarHBondContact O-CA 3.38Å; S289-T311 PolarHBondContact N-O 3.15Å; S289-T311 PolarHBondContact O-N 3.47Å; S289-H313 VanDerWaalsContact CB-NE2 3.33Å; S289-H313 WeakPolarHBondContact CB-NE2 3.37Å; S289-H313 PolarHBondContact N-NE2 3.37Å; S289-H313 PolarHBondContact OG-NE2 3.16Å
290P85.8Confident73.5Confident97 Ų9770.7 Ų70.763%0.6337%0.374SS*.EExtended strand (participates in β ladder)trans-55.3141166.1-22.634000111.7T292 N309P290-T292 PolarHBondContact O-N 3.12Å; P290-N309 CarbonylContact C-O 3.57Å; P290-N309 WeakPolarHBondContact CA-O 3.44Å
291L79.9Confident71.1Confident68 Ų6879.5 Ų79.536%0.35640%0.404SS..  trans-61.3122.5168-90.8160.4000108.7T293 R308 N309 T311L291-T293 PolarHBondContact O-N 2.85Å; L291-T293 VanDerWaalsContact O-N 3.13Å; L291-R308 VanDerWaalsContact CD1-O 3.3Å; L291-R308 WeakPolarHBondContact CD1-O 2.96Å; L291-N309 WeakPolarHBondContact CB-O 3.24Å; L291-N309 PolarHBondContact N-O 3Å; L291-T311 WeakPolarHBondContact CD2-OG1 3.38Å; L291-T311 WeakPolarHBondContact CG-OG1 3.15Å
292T64.9Low68.8Low123 Ų12380.7 Ų80.776%0.75541%0.413SS*.  trans-81.784.6171.651.20000108.2P290P290-T292 PolarHBondContact O-N 3.12Å
293T54.9Low66.6Low59 Ų5986.1 Ų86.136%0.36245%0.448SS..  trans-102121.5168.844.80000109.1L291 F295 S296L291-T293 PolarHBondContact O-N 2.85Å; L291-T293 VanDerWaalsContact O-N 3.13Å; T293-F295 PolarHBondContact O-N 2.81Å; T293-S296 PolarHBondContact O-N 3.35Å
294E50.9Low64.1Low193 Ų19389.2 Ų89.290%0.90247%0.468SS*.THydrogen-bonded Turntrans-58-2.3157.3-71-178.2160.500112.4
295F43.3Very low61.6Low175 Ų17593.1 Ų93.177%0.76848%0.482SS*.THydrogen-bonded Turntrans-11015.2-176.5-66-77.2000115.2T293 E297T293-F295 PolarHBondContact O-N 2.81Å; F295-E297 PolarHBondContact O-N 3.13Å
296S45.3Very low59.6Low72 Ų7296.5 Ų96.550%0.50351%0.506SS..  trans-83.559175.270.90000112.4T293 L298T293-S296 PolarHBondContact O-N 3.35Å; S296-L298 VanDerWaalsContact C-N 3.29Å
297E42.8Very low57.9Low189 Ų189102 Ų10288%0.88353%0.532SS*.  trans-9012.4167.6-73.4-162.9169.400113F295F295-E297 PolarHBondContact O-N 3.13Å
298L43.2Very low56.4Low132 Ų132110.5 Ų110.569%0.69156%0.564SS**SBendtrans-93.1124.4176.2-71169.7000111S296S296-L298 VanDerWaalsContact C-N 3.29Å
299P43.5Very low55.7Low99 Ų99112.5 Ų112.564%0.64358%0.575SS**  trans-67.3138.4-169.624.3-31.7000112.7R301P299-R301 VanDerWaalsContact C-N 3.29Å; P299-R301 PolarHBondContact O-N 2.78Å
300M43Very low55.5Low164 Ų164113.6 Ų113.681%0.80858%0.58SS**SBendtrans-58.773.2176.9-70.2176.262.300113.3W305M300-W305 HydrophobicContact CG-CH2 4.38Å; M300-W305 HydrophobicContact CG-CZ3 4.19Å
301R43.9Very low55.7Low232 Ų232111.6 Ų111.688%0.87557%0.566SS**  trans-125.3-4.4177.3-79.2-168.2176.3-172-0116.2P299P299-R301 VanDerWaalsContact C-N 3.29Å; P299-R301 PolarHBondContact O-N 2.78Å
302D45.2Very low56.3Low76 Ų76109.2 Ų109.241%0.40655%0.554SS.*  trans-103.2122.1174.3-174.9-15.3000110.2T304 W305 R308D302-T304 PolarHBondContact O-N 2.77Å; D302-T304 WeakPolarHBondContact OD1-CB 3.37Å; D302-T304 PolarHBondContact OD1-N 3.42Å; D302-T304 PolarHBondContact OD1-OG1 2.74Å; D302-T304 PolarHBondContact OD2-OG1 2.8Å; D302-W305 HydrophobicContact CB-CB 4.24Å; D302-W305 WeakPolarHBondContact O-CB 3.44Å; D302-W305 PolarHBondContact O-N 3.37Å; D302-R308 IonicContact OD2-NH2 3.45Å
303P49.7Very low57.7Low116 Ų116104.2 Ų104.275%0.75352%0.522SS*.THydrogen-bonded Turntrans-61.9-23.7175.721.6-29.8000113.5W305 S306P303-W305 PolarHBondContact O-N 3.47Å; P303-S306 PolarHBondContact O-OG 2.89Å
304T44.9Very low59.5Low69 Ų69103.1 Ų103.142%0.42352%0.516SS..THydrogen-bonded Turntrans-76.9-10.1173.874.50000113.4D302 S306 R308D302-T304 PolarHBondContact O-N 2.77Å; D302-T304 WeakPolarHBondContact OD1-CB 3.37Å; D302-T304 PolarHBondContact OD1-N 3.42Å; D302-T304 PolarHBondContact OD1-OG1 2.74Å; D302-T304 PolarHBondContact OD2-OG1 2.8Å; T304-S306 PolarHBondContact O-N 3.29Å; T304-R308 PolarHBondContact OG1-NH2 2.98Å
305W43.1Very low61.6Low82 Ų8294.5 Ų94.531%0.31148%0.476SS..Hα-helixtrans-60.7-26.9178.3-160.186.7000112.2M300 D302 P303 E307 N309M300-W305 HydrophobicContact CG-CH2 4.38Å; M300-W305 HydrophobicContact CG-CZ3 4.19Å; D302-W305 HydrophobicContact CB-CB 4.24Å; D302-W305 WeakPolarHBondContact O-CB 3.44Å; D302-W305 PolarHBondContact O-N 3.37Å; P303-W305 PolarHBondContact O-N 3.47Å; W305-E307 VanDerWaalsContact C-N 3.34Å; W305-E307 PolarHBondContact O-N 3.15Å; W305-N309 VanDerWaalsContact CH2-ND2 3.35Å; W305-N309 WeakPolarHBondContact CH2-ND2 3.39Å; W305-N309 WeakPolarHBondContact CZ2-ND2 3.4Å; W305-N309 PolarHBondContact O-N 3.37Å
306S55.9Low64.1Low73 Ų7386.1 Ų86.151%0.5144%0.44SS..Hα-helixtrans-67.2-27.4-174.169.80000114.6P303 T304 L310P303-S306 PolarHBondContact O-OG 2.89Å; T304-S306 PolarHBondContact O-N 3.29Å; S306-L310 WeakPolarHBondContact O-CD1 3.42Å; S306-L310 VanDerWaalsContact O-CG 3.23Å; S306-L310 WeakPolarHBondContact O-CG 3.13Å
307E59.1Low66.5Low115 Ų11584 Ų8454%0.53742%0.421SS..Hα-helixtrans-96.5-33.5-179-62.7-163.9155.600112.9W305 N309 L310W305-E307 VanDerWaalsContact C-N 3.34Å; W305-E307 PolarHBondContact O-N 3.15Å; E307-N309 PolarHBondContact O-N 2.91Å; E307-L310 PolarHBondContact O-N 3.37Å
308R61.9Low69Low179 Ų17975 Ų7568%0.67538%0.379SS*.Hα-helixtrans-67.5-21.8178.2-71.3-167.8-108.3-170.6-1.6113.4L291 D302 T304L291-R308 VanDerWaalsContact CD1-O 3.3Å; L291-R308 WeakPolarHBondContact CD1-O 2.96Å; D302-R308 IonicContact OD2-NH2 3.45Å; T304-R308 PolarHBondContact OG1-NH2 2.98Å
309N78.2Confident71.4Confident44 Ų4469.1 Ų69.124%0.23535%0.348CS..THydrogen-bonded Turntrans-99.928.4179-72.6-17.9000113.4P290 L291 W305 E307P290-N309 CarbonylContact C-O 3.57Å; P290-N309 WeakPolarHBondContact CA-O 3.44Å; L291-N309 WeakPolarHBondContact CB-O 3.24Å; L291-N309 PolarHBondContact N-O 3Å; W305-N309 VanDerWaalsContact CH2-ND2 3.35Å; W305-N309 WeakPolarHBondContact CH2-ND2 3.39Å; W305-N309 WeakPolarHBondContact CZ2-ND2 3.4Å; W305-N309 PolarHBondContact O-N 3.37Å; E307-N309 PolarHBondContact O-N 2.91Å
310L85.9Confident73.7Confident29 Ų2964.5 Ų64.515%0.15232%0.318CS..EExtended strand (participates in β ladder)trans-112.7144.4175.9-63.3178.1000111.4T288 S289 S306 E307T288-L310 HydrophobicContact CG2-CD1 4.31Å; T288-L310 WeakPolarHBondContact OG1-CB 3.38Å; S289-L310 CarbonylContact O-C 3.51Å; S289-L310 WeakPolarHBondContact O-CA 3.38Å; S306-L310 WeakPolarHBondContact O-CD1 3.42Å; S306-L310 VanDerWaalsContact O-CG 3.23Å; S306-L310 WeakPolarHBondContact O-CG 3.13Å; E307-L310 PolarHBondContact O-N 3.37Å
311T90.3Very high76Confident55 Ų5557.2 Ų57.234%0.33728%0.282SS..EExtended strand (participates in β ladder)trans-113.8120.8167.7-63.20000108.4T288 S289 L291 H313T288-T311 WeakPolarHBondContact CA-O 3.2Å; T288-T311 PolarHBondContact OG1-O 3.18Å; S289-T311 PolarHBondContact N-O 3.15Å; S289-T311 PolarHBondContact O-N 3.47Å; L291-T311 WeakPolarHBondContact CD2-OG1 3.38Å; L291-T311 WeakPolarHBondContact CG-OG1 3.15Å; T311-H313 PolarHBondContact O-NE2 2.96Å
312D92.1Very high78.3Confident18 Ų1851.4 Ų51.410%0.09626%0.26CS..EExtended strand (participates in β ladder)trans-85.5143.9170.6-61-17.1000111.1R12 V14 C32 S33 G287 T288R12-D312 HydrophobicContact CG-CB 3.4Å; V14-D312 HydrophobicContact CG1-CB 4.36Å; V14-D312 WeakPolarHBondContact CG1-OD1 3.25Å; C32-D312 VanDerWaalsContact CA-OD2 3.28Å; C32-D312 WeakPolarHBondContact CA-OD2 3.25Å; S33-D312 WeakPolarHBondContact CB-OD1 3.4Å; S33-D312 WeakPolarHBondContact CB-OD2 3.44Å; S33-D312 PolarHBondContact N-OD2 2.84Å; S33-D312 VanDerWaalsContact OG-CG 3.31Å; S33-D312 PolarHBondContact OG-OD1 2.75Å; S33-D312 PolarHBondContact OG-OD2 2.8Å; G287-D312 WeakPolarHBondContact O-CA 3.19Å; T288-D312 VanDerWaalsContact CB-OD1 3.23Å; T288-D312 WeakPolarHBondContact CB-OD1 3.44Å; T288-D312 PolarHBondContact OG1-OD1 3.36Å
313H93.9Very high80.4Confident17 Ų1749.1 Ų49.18%0.07925%0.25CC..  trans-103.5139.8-174.8-55.6-76.1000111.3R270 G286 G287 S289 T311 D315R270-H313 VanDerWaalsContact CZ-CD2 3.48Å; G286-H313 WeakPolarHBondContact CA-O 3.29Å; G287-H313 PolarHBondContact O-CD2 2.94Å; G287-H313 PolarHBondContact O-N 3.48Å; S289-H313 VanDerWaalsContact CB-NE2 3.33Å; S289-H313 WeakPolarHBondContact CB-NE2 3.37Å; S289-H313 PolarHBondContact N-NE2 3.37Å; S289-H313 PolarHBondContact OG-NE2 3.16Å; T311-H313 PolarHBondContact O-NE2 2.96Å; H313-D315 WeakPolarHBondContact CB-OD1 3.41Å; H313-D315 IonicContact ND1-OD2 2.82Å
314S94.4Very high82.3Confident36 Ų3646.1 Ų46.125%0.25224%0.235SC..  trans-107.66.1169.749.70000112.1G9 G10G9-S314 PolarHBondContact N-O 3.47Å; G10-S314 VanDerWaalsContact CA-O 3.3Å; G10-S314 WeakPolarHBondContact CA-O 3.25Å; G10-S314 PolarHBondContact N-O 3.47Å; G10-S314 WeakPolarHBondContact O-CB 3.16Å
315D94.5Very high84.5Confident12 Ų1249.2 Ų49.26%0.06425%0.248CC..  trans-75.1153.1178.257.920.6000110.6I7 R270 F285 H313 Y317I7-D315 CarbonylContact O-C 3.48Å; I7-D315 WeakPolarHBondContact O-CA 3.21Å; R270-D315 IonicContact CZ-OD1 3.31Å; R270-D315 IonicContact CZ-OD2 3.96Å; R270-D315 IonicContact NH1-OD1 3.97Å; R270-D315 PolarHBondContact NH1-OD1 2.95Å; R270-D315 IonicContact NH1-OD2 3.24Å; R270-D315 PolarHBondContact NH1-OD2 3.06Å; R270-D315 IonicContact NH2-OD1 2.66Å; R270-D315 PolarHBondContact NH2-OD1 2.71Å; R270-D315 IonicContact NH2-OD2 3.56Å; R270-D315 PolarHBondContact NH2-OD2 3Å; F285-D315 WeakPolarHBondContact CA-O 3.27Å; F285-D315 WeakPolarHBondContact CB-O 3.25Å; H313-D315 WeakPolarHBondContact CB-OD1 3.41Å; H313-D315 IonicContact ND1-OD2 2.82Å; D315-Y317 HydrophobicContact CB-CD2 4.37Å; D315-Y317 HydrophobicContact CB-CE2 4Å; D315-Y317 WeakPolarHBondContact OD2-CE2 3.36Å
316L95.8Very high86.7Confident0 Ų051.4 Ų51.40%026%0.256CS..EExtended strand (participates in β ladder)trans-125127.3165.8180150000108.4C6 I7 F48 W55 F283 M284 F285 V318C6-L316 CarbonylContact C-O 3.6Å; C6-L316 WeakPolarHBondContact CA-O 3.1Å; I7-L316 HydrophobicContact CB-CB 4.38Å; I7-L316 HydrophobicContact CD1-CD2 3.64Å; I7-L316 PolarHBondContact N-O 3.1Å; I7-L316 PolarHBondContact O-N 2.93Å; F48-L316 HydrophobicContact CD1-CD1 4.09Å; F48-L316 HydrophobicContact CD2-CD1 4.11Å; F48-L316 HydrophobicContact CE1-CD1 3.98Å; F48-L316 HydrophobicContact CE1-CD2 4.31Å; F48-L316 HydrophobicContact CE2-CD1 3.99Å; F48-L316 HydrophobicContact CG-CD1 4.13Å; F48-L316 HydrophobicContact CZ-CD1 3.91Å; F48-L316 HydrophobicContact CZ-CD2 3.96Å; W55-L316 HydrophobicContact CZ2-CD1 3.59Å; F283-L316 HydrophobicContact CB-CD1 4.41Å; F283-L316 HydrophobicContact CD1-CD1 4.46Å; F283-L316 HydrophobicContact CD1-CD2 3.95Å; M284-L316 CarbonylContact O-C 3.58Å; M284-L316 VanDerWaalsContact O-CA 3.29Å; M284-L316 WeakPolarHBondContact O-CA 3.38Å; F285-L316 HydrophobicContact CB-CB 3.9Å; F285-L316 HydrophobicContact CB-CD1 4.02Å; F285-L316 HydrophobicContact CB-CG 4.01Å; F285-L316 HydrophobicContact CD1-CD1 3.92Å; F285-L316 HydrophobicContact CG-CD1 4.19Å; L316-V318 HydrophobicContact CD2-CG2 3.56Å
317Y95.5Very high88.3Confident28 Ų2848.3 Ų48.311%0.1123%0.234CC..EExtended strand (participates in β ladder)trans-108.2145.1174.5-76.3-99.3000111.2W3 F5 C6 N265 P267 F283 M284 D315W3-Y317 HydrophobicContact CE3-CD1 4.32Å; W3-Y317 HydrophobicContact CE3-CG 4.45Å; F5-Y317 WeakPolarHBondContact O-CA 3.41Å; C6-Y317 HydrophobicContact CB-CD1 4.27Å; C6-Y317 HydrophobicContact CB-CE1 4.07Å; C6-Y317 VanDerWaalsContact SG-CZ 3.52Å; N265-Y317 WeakPolarHBondContact O-CE1 3.29Å; P267-Y317 HydrophobicContact CB-CD1 4.36Å; P267-Y317 HydrophobicContact CB-CD2 3.68Å; P267-Y317 HydrophobicContact CB-CE1 4.37Å; P267-Y317 HydrophobicContact CB-CE2 3.67Å; P267-Y317 HydrophobicContact CB-CG 4.02Å; P267-Y317 HydrophobicContact CG-CD1 3.86Å; P267-Y317 HydrophobicContact CG-CD2 3.72Å; P267-Y317 HydrophobicContact CG-CE1 4.3Å; P267-Y317 HydrophobicContact CG-CE2 4.15Å; P267-Y317 HydrophobicContact CG-CG 3.54Å; F283-Y317 WeakPolarHBondContact CA-O 3.21Å; M284-Y317 PolarHBondContact N-O 2.71Å; M284-Y317 PolarHBondContact O-N 2.94Å; D315-Y317 HydrophobicContact CB-CD2 4.37Å; D315-Y317 HydrophobicContact CB-CE2 4Å; D315-Y317 WeakPolarHBondContact OD2-CE2 3.36Å
318V95Very high89.6Confident0 Ų046.9 Ų46.90%023%0.23CC..EExtended strand (participates in β ladder)trans-117115.7174.9-175.80000110.9T4 F5 I7 Y53 K281 V282 F283 L316 E320T4-V318 PolarHBondContact N-O 2.87Å; T4-V318 PolarHBondContact OG1-O 2.91Å; T4-V318 VanDerWaalsContact OG1-O 3.08Å; F5-V318 HydrophobicContact CB-CB 4.12Å; F5-V318 HydrophobicContact CB-CG2 4.18Å; F5-V318 HydrophobicContact CD2-CB 4.2Å; F5-V318 HydrophobicContact CD2-CG1 4.41Å; F5-V318 PolarHBondContact O-N 3.39Å; I7-V318 HydrophobicContact CD1-CG2 4.31Å; Y53-V318 HydrophobicContact CE1-CG2 3.93Å; K281-V318 HydrophobicContact CB-CG1 4.06Å; K281-V318 HydrophobicContact CD-CG1 3.76Å; K281-V318 HydrophobicContact CG-CG1 4.41Å; V282-V318 WeakPolarHBondContact O-CA 3.09Å; F283-V318 HydrophobicContact CD1-CG2 3.54Å; F283-V318 HydrophobicContact CE1-CG1 4.2Å; F283-V318 HydrophobicContact CE1-CG2 3.62Å; F283-V318 HydrophobicContact CG-CG2 4.45Å; F283-V318 HydrophobicContact CZ-CG1 4.43Å; L316-V318 HydrophobicContact CD2-CG2 3.56Å; V318-E320 HydrophobicContact CG1-CG 4.2Å
319L93.8Very high90.9Very high7 Ų741.4 Ų41.44%0.03722%0.219CC..EExtended strand (participates in β ladder)trans-91.7118.9170.3178.861.6000109.2M1 W3 W243 V262 K281 V282 F321M1-L319 HydrophobicContact CB-CD1 4.09Å; W3-L319 HydrophobicContact CD2-CB 4.21Å; W3-L319 HydrophobicContact CD2-CD1 4.12Å; W3-L319 HydrophobicContact CE3-CB 3.74Å; W3-L319 HydrophobicContact CE3-CD1 4.48Å; W3-L319 HydrophobicContact CG-CD1 4.43Å; W3-L319 HydrophobicContact CH2-CB 3.83Å; W3-L319 HydrophobicContact CH2-CD2 4.43Å; W3-L319 HydrophobicContact CZ2-CB 4.25Å; W3-L319 HydrophobicContact CZ2-CD1 4.46Å; W3-L319 HydrophobicContact CZ2-CD2 4.31Å; W3-L319 HydrophobicContact CZ3-CB 3.55Å; W243-L319 HydrophobicContact CZ2-CD2 4.19Å; V262-L319 HydrophobicContact CG1-CD1 3.47Å; V262-L319 VanDerWaalsContact CG1-CD1 3.47Å; K281-L319 CarbonylContact C-O 3.57Å; K281-L319 VanDerWaalsContact CA-O 3.25Å; K281-L319 WeakPolarHBondContact CA-O 3.49Å; V282-L319 HydrophobicContact CB-CB 4.28Å; V282-L319 PolarHBondContact N-O 3.35Å; V282-L319 PolarHBondContact O-N 3.26Å; L319-F321 HydrophobicContact CD2-CZ 4.29Å
320E92.5Very high91.4Very high3 Ų339.8 Ų39.81%0.01421%0.209CC..EExtended strand (participates in β ladder)trans-102.5127.3171.9-64.3-165.8-170.600110.3M1 H2 T4 F5 K281 V318 P323M1-E320 CarbonylContact C-O 3.58Å; M1-E320 VanDerWaalsContact CA-O 3.28Å; M1-E320 WeakPolarHBondContact CA-O 3.21Å; H2-E320 PolarHBondContact N-O 2.82Å; H2-E320 PolarHBondContact O-N 2.82Å; T4-E320 HydrophobicContact CG2-CB 3.99Å; T4-E320 HydrophobicContact CG2-CG 3.92Å; T4-E320 WeakPolarHBondContact OG1-CG 3.17Å; F5-E320 WeakPolarHBondContact CE2-OE1 3.42Å; K281-E320 HydrophobicContact CD-CG 3.91Å; K281-E320 WeakPolarHBondContact CE-OE1 3.45Å; K281-E320 HydrophobicContact CG-CG 3.98Å; K281-E320 IonicContact NZ-OE1 3.59Å; K281-E320 PolarHBondContact NZ-OE1 3.16Å; V318-E320 HydrophobicContact CG1-CG 4.2Å; E320-P323 HydrophobicContact CB-CB 4.5Å; E320-P323 HydrophobicContact CB-CG 4.14Å; E320-P323 WeakPolarHBondContact OE2-CA 3.23Å
321F91.1Very high91.4Very high10 Ų1039.2 Ų39.24%0.04421%0.207CC..SBendtrans-72.7-44.2178.4-67.4-93.4000111.3M1 W243 Q245 F250 N280 V282 L319M1-F321 HydrophobicContact CG-CB 4.47Å; M1-F321 HydrophobicContact CG-CD1 3.78Å; M1-F321 HydrophobicContact CG-CE1 4.41Å; M1-F321 HydrophobicContact CG-CG 4.42Å; M1-F321 HydrophobicContact SD-CD1 3.45Å; M1-F321 WeakPolarHBondContact SD-CD1 3.35Å; M1-F321 HydrophobicContact SD-CE1 3.52Å; M1-F321 VanDerWaalsContact SD-CE1 3.52Å; W243-F321 AromaticContact NE1-CZ 3.54Å; Q245-F321 HydrophobicContact CB-CD1 4.44Å; Q245-F321 HydrophobicContact CB-CE1 3.93Å; Q245-F321 HydrophobicContact CB-CE2 4.02Å; Q245-F321 HydrophobicContact CB-CZ 3.73Å; Q245-F321 HydrophobicContact CG-CD1 3.89Å; Q245-F321 HydrophobicContact CG-CD2 3.74Å; Q245-F321 HydrophobicContact CG-CE1 3.88Å; Q245-F321 HydrophobicContact CG-CE2 3.72Å; Q245-F321 HydrophobicContact CG-CG 3.85Å; Q245-F321 HydrophobicContact CG-CZ 3.82Å; F250-F321 HydrophobicContact CD1-CE1 4.33Å; F250-F321 HydrophobicContact CD2-CE1 4.45Å; F250-F321 AromaticContact CE1-CE1 3.82Å; F250-F321 HydrophobicContact CE1-CE1 3.82Å; F250-F321 AromaticContact CE2-CE1 3.97Å; F250-F321 HydrophobicContact CE2-CE1 3.97Å; F250-F321 HydrophobicContact CE2-CZ 4.47Å; F250-F321 HydrophobicContact CZ-CD1 4.38Å; F250-F321 AromaticContact CZ-CE1 3.63Å; F250-F321 HydrophobicContact CZ-CE1 3.63Å; N280-F321 WeakPolarHBondContact O-CD2 3.22Å; N280-F321 PolarHBondContact O-N 3.46Å; N280-F321 WeakPolarHBondContact OD1-CB 3.19Å; V282-F321 HydrophobicContact CG2-CE2 3.68Å; V282-F321 HydrophobicContact CG2-CZ 4.09Å; L319-F321 HydrophobicContact CD2-CZ 4.29Å
322Y91Very high91.2Very high110 Ų11041.8 Ų41.843%0.43122%0.215SC..SBendtrans-126.783.9178.1-50.2-73.3000109.6R246 N280 A324R246-Y322 VanDerWaalsContact CZ-CZ 3.44Å; R246-Y322 PolarHBondContact NH1-OH 2.93Å; R246-Y322 VanDerWaalsContact NH2-CE2 3.3Å; N280-Y322 PolarHBondContact ND2-N 2.87Å; N280-Y322 PolarHBondContact ND2-O 3.35Å; N280-Y322 WeakPolarHBondContact OD1-CD2 3.47Å; N280-Y322 PolarHBondContact OD1-N 3.04Å; Y322-A324 PolarHBondContact O-N 3.29Å
323P89.4Confident90.9Very high29 Ų2942.4 Ų42.419%0.18822%0.219CC..  trans-54.9135.7-177-2533.5000112H2 E320 T327 L328H2-P323 HydrophobicContact CB-CG 3.73Å; E320-P323 HydrophobicContact CB-CB 4.5Å; E320-P323 HydrophobicContact CB-CG 4.14Å; E320-P323 WeakPolarHBondContact OE2-CA 3.23Å; P323-T327 HydrophobicContact CB-CG2 4.37Å; P323-L328 HydrophobicContact CB-CD2 3.89Å; P323-L328 HydrophobicContact CB-CG 4.08Å; P323-L328 HydrophobicContact CG-CD2 4.39Å
324A89.5Confident90.3Very high53 Ų5344.8 Ų44.844%0.43823%0.227SC..  trans-63.9154175.700000110.8Y322 R326 T327 L328Y322-A324 PolarHBondContact O-N 3.29Å; A324-R326 PolarHBondContact O-N 3.12Å; A324-R326 VanDerWaalsContact O-N 3.16Å; A324-T327 WeakPolarHBondContact O-CA 3.4Å; A324-T327 WeakPolarHBondContact O-CB 3.3Å; A324-T327 PolarHBondContact O-N 2.95Å; A324-L328 PolarHBondContact O-N 3.14Å
325L91.3Very high89.7Confident134 Ų13447.5 Ų47.570%0.70224%0.236SC*.Hα-helixtrans-52.6-40.3175.9179.161.2000111.5T327 L328 C329L325-T327 VanDerWaalsContact C-N 3.34Å; L325-T327 PolarHBondContact O-N 3.24Å; L325-L328 PolarHBondContact O-N 2.94Å; L325-C329 WeakPolarHBondContact O-CB 3.33Å; L325-C329 PolarHBondContact O-N 2.81Å; L325-C329 PolarHBondContact O-SG 3.14Å
326R89.1Confident89.2Confident128 Ų12849.1 Ų49.148%0.48325%0.245SC..Hα-helixtrans-55.5-47.3174.3-173.1178.2-174.2-125.7-5.9112A324 C329 M330 D353A324-R326 PolarHBondContact O-N 3.12Å; A324-R326 VanDerWaalsContact O-N 3.16Å; R326-C329 PolarHBondContact O-N 2.82Å; R326-M330 HydrophobicContact CG-CE 4.45Å; R326-M330 VanDerWaalsContact O-CG 3.3Å; R326-M330 WeakPolarHBondContact O-CG 3.26Å; R326-M330 PolarHBondContact O-N 2.69Å; R326-D353 IonicContact CZ-OD2 3.05Å; R326-D353 IonicContact NH1-OD2 2.77Å; R326-D353 PolarHBondContact NH1-OD2 3.4Å; R326-D353 IonicContact NH2-OD2 2.65Å; R326-D353 PolarHBondContact NH2-OD2 2.97Å
327T88.9Confident88.4Confident8 Ų853.2 Ų53.25%0.04927%0.271CS..Hα-helixtrans-63-44.6177.5-50.20000111.3T4 F5 P323 A324 L325 C329 M330 I331T4-T327 HydrophobicContact CG2-CG2 3.57Å; F5-T327 HydrophobicContact CE2-CG2 4.49Å; P323-T327 HydrophobicContact CB-CG2 4.37Å; A324-T327 WeakPolarHBondContact O-CA 3.4Å; A324-T327 WeakPolarHBondContact O-CB 3.3Å; A324-T327 PolarHBondContact O-N 2.95Å; L325-T327 VanDerWaalsContact C-N 3.34Å; L325-T327 PolarHBondContact O-N 3.24Å; T327-C329 PolarHBondContact O-N 2.98Å; T327-M330 PolarHBondContact O-N 2.66Å; T327-I331 HydrophobicContact CG2-CD1 4.11Å; T327-I331 WeakPolarHBondContact O-CG1 3.34Å; T327-I331 PolarHBondContact O-N 2.81Å
328L88.3Confident87.6Confident84 Ų8458.4 Ų58.444%0.4430%0.3SS..Hα-helixtrans-62.6-41.8176.8-64.1174000112.2P323 A324 L325 I331 Q332P323-L328 HydrophobicContact CB-CD2 3.89Å; P323-L328 HydrophobicContact CB-CG 4.08Å; P323-L328 HydrophobicContact CG-CD2 4.39Å; A324-L328 PolarHBondContact O-N 3.14Å; L325-L328 PolarHBondContact O-N 2.94Å; L328-I331 PolarHBondContact O-N 2.59Å; L328-Q332 WeakPolarHBondContact O-CB 3.45Å; L328-Q332 PolarHBondContact O-N 3.43Å
329C89.3Confident86.8Confident65 Ų6561.8 Ų61.844%0.43932%0.318SS..Hα-helixtrans-63.3-41.2174.5-68.70000111.7L325 R326 T327 Q332 V333L325-C329 WeakPolarHBondContact O-CB 3.33Å; L325-C329 PolarHBondContact O-N 2.81Å; L325-C329 PolarHBondContact O-SG 3.14Å; R326-C329 PolarHBondContact O-N 2.82Å; T327-C329 PolarHBondContact O-N 2.98Å; C329-Q332 PolarHBondContact O-N 2.69Å; C329-V333 VanDerWaalsContact O-CG2 3.3Å; C329-V333 WeakPolarHBondContact O-CG2 2.97Å; C329-V333 PolarHBondContact O-N 3.18Å
330M87.5Confident85.9Confident9 Ų963.1 Ų63.14%0.04433%0.328CS..Hα-helixtrans-63.5-42.5176.5-72.9-172.2-55.800111.8F5 R326 T327 Q332 V333 W334 D353 L354 L357F5-M330 HydrophobicContact CE1-CE 4.26Å; F5-M330 HydrophobicContact CZ-CE 3.98Å; R326-M330 HydrophobicContact CG-CE 4.45Å; R326-M330 VanDerWaalsContact O-CG 3.3Å; R326-M330 WeakPolarHBondContact O-CG 3.26Å; R326-M330 PolarHBondContact O-N 2.69Å; T327-M330 PolarHBondContact O-N 2.66Å; M330-Q332 VanDerWaalsContact C-N 3.34Å; M330-Q332 PolarHBondContact O-N 3.44Å; M330-V333 PolarHBondContact O-N 2.75Å; M330-W334 WeakPolarHBondContact O-CB 3.49Å; M330-W334 PolarHBondContact O-N 3.15Å; M330-D353 HydrophobicContact CE-CB 4.3Å; M330-D353 HydrophobicContact SD-CB 3.62Å; M330-L354 HydrophobicContact CB-CD2 3.81Å; M330-L354 HydrophobicContact CG-CD2 4.14Å; M330-L354 WeakPolarHBondContact O-CD2 3.4Å; M330-L357 HydrophobicContact CB-CD1 4.08Å
331I85.7Confident85.2Confident18 Ų1866.7 Ų66.79%0.09235%0.353CS..Hα-helixtrans-58.2-48.1173-68.4161000109.9T327 L328 V333 W334 E335 L357T327-I331 HydrophobicContact CG2-CD1 4.11Å; T327-I331 WeakPolarHBondContact O-CG1 3.34Å; T327-I331 PolarHBondContact O-N 2.81Å; L328-I331 PolarHBondContact O-N 2.59Å; I331-V333 PolarHBondContact O-N 3.39Å; I331-W334 PolarHBondContact O-N 2.87Å; I331-W334 VanDerWaalsContact O-N 3.16Å; I331-E335 HydrophobicContact CG2-CG 4.26Å; I331-E335 WeakPolarHBondContact CG2-OE1 3.44Å; I331-E335 WeakPolarHBondContact O-CB 3.42Å; I331-E335 WeakPolarHBondContact O-CG 3.11Å; I331-E335 PolarHBondContact O-N 2.9Å; I331-L357 HydrophobicContact CG1-CD2 4.43Å
332Q86.2Confident84.8Confident108 Ų10871.1 Ų71.151%0.50537%0.374SS..Hα-helixtrans-62.2-40.1179.1-172.36333.900113.3L328 C329 M330 W334 N336L328-Q332 WeakPolarHBondContact O-CB 3.45Å; L328-Q332 PolarHBondContact O-N 3.43Å; C329-Q332 PolarHBondContact O-N 2.69Å; M330-Q332 VanDerWaalsContact C-N 3.34Å; M330-Q332 PolarHBondContact O-N 3.44Å; Q332-W334 VanDerWaalsContact C-N 3.31Å; Q332-N336 WeakPolarHBondContact O-CB 3.26Å; Q332-N336 PolarHBondContact O-N 3.47Å
333V86Confident84.4Confident31 Ų3167.1 Ų67.119%0.18836%0.36CS..Hα-helixtrans-63.6-39.9175.9166.30000110.9C329 M330 I331 L339 S340 I343 L346 L354C329-V333 VanDerWaalsContact O-CG2 3.3Å; C329-V333 WeakPolarHBondContact O-CG2 2.97Å; C329-V333 PolarHBondContact O-N 3.18Å; M330-V333 PolarHBondContact O-N 2.75Å; I331-V333 PolarHBondContact O-N 3.39Å; V333-L339 HydrophobicContact CG1-CB 4.3Å; V333-L339 HydrophobicContact CG2-CD1 4.24Å; V333-S340 PolarHBondContact O-N 3.36Å; V333-I343 HydrophobicContact CG1-CG1 4.06Å; V333-L346 HydrophobicContact CG1-CD1 4.09Å; V333-L354 HydrophobicContact CG1-CD1 4.32Å
334W80.9Confident84.2Confident67 Ų6771.7 Ų71.725%0.25438%0.383SS..Hα-helixtrans-71.4-44.6-179.9-174.7-95.6000112.8M330 I331 Q332 I343 L357 K359M330-W334 WeakPolarHBondContact O-CB 3.49Å; M330-W334 PolarHBondContact O-N 3.15Å; I331-W334 PolarHBondContact O-N 2.87Å; I331-W334 VanDerWaalsContact O-N 3.16Å; Q332-W334 VanDerWaalsContact C-N 3.31Å; W334-I343 HydrophobicContact CE3-CD1 3.8Å; W334-I343 HydrophobicContact CZ3-CD1 3.93Å; W334-L357 HydrophobicContact CB-CD1 4.13Å; W334-K359 HydrophobicContact CD2-CG 4.33Å; W334-K359 HydrophobicContact CH2-CD 3.67Å; W334-K359 HydrophobicContact CH2-CG 4.23Å; W334-K359 HydrophobicContact CZ2-CB 4.14Å; W334-K359 HydrophobicContact CZ2-CD 3.32Å; W334-K359 VanDerWaalsContact CZ2-CE 3.49Å; W334-K359 HydrophobicContact CZ2-CG 3.52Å; W334-K359 HydrophobicContact CZ3-CD 4.49Å
335E82.2Confident84Confident94 Ų9476.4 Ų76.444%0.43940%0.395SS..Hα-helixtrans-75.7-29.3-176.5-70.9178.5177.400112.7I331 P337I331-E335 HydrophobicContact CG2-CG 4.26Å; I331-E335 WeakPolarHBondContact CG2-OE1 3.44Å; I331-E335 WeakPolarHBondContact O-CB 3.42Å; I331-E335 WeakPolarHBondContact O-CG 3.11Å; I331-E335 PolarHBondContact O-N 2.9Å; E335-P337 VanDerWaalsContact O-CD 3.24Å; E335-P337 WeakPolarHBondContact O-CD 3.26Å
336N84.3Confident83.8Confident46 Ų4672.5 Ų72.525%0.24638%0.375CS..  trans-79113.3177.4-173.5-26.2000110.8Q332 L338 L339 S340Q332-N336 WeakPolarHBondContact O-CB 3.26Å; Q332-N336 PolarHBondContact O-N 3.47Å; N336-L338 PolarHBondContact O-N 3.43Å; N336-L338 VanDerWaalsContact O-N 3.15Å; N336-L338 WeakPolarHBondContact OD1-CB 3.18Å; N336-L338 PolarHBondContact OD1-N 2.87Å; N336-L339 HydrophobicContact CB-CB 4.16Å; N336-L339 HydrophobicContact CB-CD1 3.96Å; N336-L339 HydrophobicContact CB-CG 4.07Å; N336-L339 PolarHBondContact O-N 2.55Å; N336-S340 PolarHBondContact O-N 3.06Å
337P79.4Confident83.7Confident86 Ų8669.8 Ų69.856%0.55837%0.374SS*.Hα-helixtrans-56.3-36.4-177.7-25.235.8000113.7E335 L339 S340 S341E335-P337 VanDerWaalsContact O-CD 3.24Å; E335-P337 WeakPolarHBondContact O-CD 3.26Å; P337-L339 VanDerWaalsContact C-N 3.34Å; P337-S340 WeakPolarHBondContact CA-OG 3.27Å; P337-S340 PolarHBondContact O-N 2.69Å; P337-S340 PolarHBondContact O-OG 3.5Å; P337-S341 PolarHBondContact O-N 3.14Å
338L78.8Confident83.6Confident136 Ų13674.4 Ų74.471%0.71240%0.404SS*.Hα-helixtrans-69.6-31-179.3-61.6174.8000112.8N336 S341N336-L338 PolarHBondContact O-N 3.43Å; N336-L338 VanDerWaalsContact O-N 3.15Å; N336-L338 WeakPolarHBondContact OD1-CB 3.18Å; N336-L338 PolarHBondContact OD1-N 2.87Å; L338-S341 PolarHBondContact O-OG 2.79Å
339L78.1Confident83.4Confident71 Ų7173.9 Ų73.937%0.37241%0.407SS..Hα-helixtrans-86.5-30.5177.4-61.7178.1000111V333 N336 P337 S341 E342V333-L339 HydrophobicContact CG1-CB 4.3Å; V333-L339 HydrophobicContact CG2-CD1 4.24Å; N336-L339 HydrophobicContact CB-CB 4.16Å; N336-L339 HydrophobicContact CB-CD1 3.96Å; N336-L339 HydrophobicContact CB-CG 4.07Å; N336-L339 PolarHBondContact O-N 2.55Å; P337-L339 VanDerWaalsContact C-N 3.34Å; L339-S341 PolarHBondContact O-N 2.66Å; L339-E342 PolarHBondContact O-N 3Å
340S74.4Confident83.2Confident36 Ų3672.4 Ų72.425%0.25240%0.396SS..Hα-helixtrans-63.4-27.6179.572.80000113.1V333 N336 P337 E342 I343V333-S340 PolarHBondContact O-N 3.36Å; N336-S340 PolarHBondContact O-N 3.06Å; P337-S340 WeakPolarHBondContact CA-OG 3.27Å; P337-S340 PolarHBondContact O-N 2.69Å; P337-S340 PolarHBondContact O-OG 3.5Å; S340-E342 VanDerWaalsContact C-N 3.28Å; S340-E342 PolarHBondContact O-N 2.81Å; S340-I343 WeakPolarHBondContact O-CD1 3.36Å; S340-I343 WeakPolarHBondContact O-CG1 3.38Å
341S78.1Confident83.1Confident77 Ų7775 Ų7554%0.53841%0.407SS..THydrogen-bonded Turntrans-73-18.8172.852.70000113.8P337 L338 L339P337-S341 PolarHBondContact O-N 3.14Å; L338-S341 PolarHBondContact O-OG 2.79Å; L339-S341 PolarHBondContact O-N 2.66Å
342E82.3Confident82.9Confident103 Ų10378.1 Ų78.148%0.48142%0.424SS..THydrogen-bonded Turntrans-97.92.5-177.4-59.1-62.7141.300112.5L339 S340 D344 H345L339-E342 PolarHBondContact O-N 3Å; S340-E342 VanDerWaalsContact C-N 3.28Å; S340-E342 PolarHBondContact O-N 2.81Å; E342-D344 PolarHBondContact O-N 3.38Å; E342-D344 VanDerWaalsContact O-N 3.11Å; E342-H345 PolarHBondContact O-N 2.89Å; E342-H345 IonicContact OE2-CD2 3.26Å; E342-H345 PolarHBondContact OE2-CD2 3.02Å; E342-H345 VanDerWaalsContact OE2-CD2 3.26Å; E342-H345 IonicContact OE2-NE2 3.92Å
343I82.6Confident82.8Confident26 Ų2674.3 Ų74.313%0.13341%0.407CS..G310 helixtrans-56-33.8-175.1-73.3173.3000111.7V333 W334 S340 H345 L346 K351 L354V333-I343 HydrophobicContact CG1-CG1 4.06Å; W334-I343 HydrophobicContact CE3-CD1 3.8Å; W334-I343 HydrophobicContact CZ3-CD1 3.93Å; S340-I343 WeakPolarHBondContact O-CD1 3.36Å; S340-I343 WeakPolarHBondContact O-CG1 3.38Å; I343-H345 PolarHBondContact O-N 2.77Å; I343-L346 HydrophobicContact CB-CD1 4.49Å; I343-L346 HydrophobicContact CG1-CD1 4.36Å; I343-L346 VanDerWaalsContact O-CB 3.3Å; I343-L346 WeakPolarHBondContact O-CB 3.34Å; I343-L346 WeakPolarHBondContact O-CG 3.37Å; I343-L346 PolarHBondContact O-N 3.24Å; I343-K351 HydrophobicContact CG2-CG 4.36Å; I343-K351 VanDerWaalsContact O-CD 3.25Å; I343-K351 WeakPolarHBondContact O-CD 3.13Å; I343-K351 WeakPolarHBondContact O-CG 3.34Å; I343-L354 HydrophobicContact CD1-CD1 4.42Å; I343-L354 HydrophobicContact CG1-CD1 4.2Å; I343-L354 HydrophobicContact CG2-CD1 4Å
344D84.5Confident82.8Confident125 Ų12572.9 Ų72.967%0.66840%0.398SS*.G310 helixtrans-64.1-25.7-177.6-73.2-32.1000113.7E342 L346 K351E342-D344 PolarHBondContact O-N 3.38Å; E342-D344 VanDerWaalsContact O-N 3.11Å; D344-L346 VanDerWaalsContact C-N 3.32Å; D344-K351 PolarHBondContact O-NZ 3.31Å
345H86.5Confident82.8Confident152 Ų15275.8 Ų75.870%0.70442%0.415SS*.G310 helixtrans-81.9-9177.3-60.8-59.7000113.5E342 I343E342-H345 PolarHBondContact O-N 2.89Å; E342-H345 IonicContact OE2-CD2 3.26Å; E342-H345 PolarHBondContact OE2-CD2 3.02Å; E342-H345 VanDerWaalsContact OE2-CD2 3.26Å; E342-H345 IonicContact OE2-NE2 3.92Å; I343-H345 PolarHBondContact O-N 2.77Å
346L86.3Confident82.9Confident52 Ų5273 Ų7327%0.27240%0.403SS..SBendtrans-72.9154.3178.9-61.7175.6000111.8V333 I343 D344 V350 K351 L354V333-L346 HydrophobicContact CG1-CD1 4.09Å; I343-L346 HydrophobicContact CB-CD1 4.49Å; I343-L346 HydrophobicContact CG1-CD1 4.36Å; I343-L346 VanDerWaalsContact O-CB 3.3Å; I343-L346 WeakPolarHBondContact O-CB 3.34Å; I343-L346 WeakPolarHBondContact O-CG 3.37Å; I343-L346 PolarHBondContact O-N 3.24Å; D344-L346 VanDerWaalsContact C-N 3.32Å; L346-V350 HydrophobicContact CB-CB 4.42Å; L346-V350 HydrophobicContact CB-CG1 4.37Å; L346-V350 HydrophobicContact CD1-CG1 4.06Å; L346-K351 HydrophobicContact CB-CG 3.96Å; L346-K351 WeakPolarHBondContact O-CD 3.49Å; L346-K351 WeakPolarHBondContact O-CE 3.1Å; L346-L354 HydrophobicContact CD1-CD1 3.53Å
347P87.8Confident82.8Confident72 Ų7271.3 Ų71.347%0.46839%0.393SS..  trans-53.5143.6173.9-26.534.7000112.2S349 V350 K351P347-S349 VanDerWaalsContact C-N 3.25Å; P347-S349 PolarHBondContact O-N 2.74Å; P347-S349 VanDerWaalsContact O-N 3.12Å; P347-V350 HydrophobicContact CB-CG2 4.32Å; P347-V350 HydrophobicContact CG-CG2 4.44Å; P347-V350 PolarHBondContact O-N 3.43Å; P347-K351 PolarHBondContact O-N 2.81Å
348P86.7Confident82.5Confident104 Ų10467.8 Ų67.868%0.67537%0.371SS*.Hα-helixtrans-52.6-38.2-176.9-29.135.1000114.8K351 L352P348-K351 PolarHBondContact O-N 3.36Å; P348-L352 PolarHBondContact O-N 3.46Å
349S83.7Confident82Confident73 Ų7365.3 Ų65.351%0.5135%0.354SS..Hα-helixtrans-64.6-38.6177.353.20000113P347 D353P347-S349 VanDerWaalsContact C-N 3.25Å; P347-S349 PolarHBondContact O-N 2.74Å; P347-S349 VanDerWaalsContact O-N 3.12Å; S349-D353 PolarHBondContact O-N 3.49Å; S349-D353 VanDerWaalsContact O-N 3.14Å
350V84.5Confident81Confident35 Ų3566.1 Ų66.121%0.21236%0.356CS..Hα-helixtrans-70.1-40.1175.9179.50000110.4L346 P347 L352 D353 L354L346-V350 HydrophobicContact CB-CB 4.42Å; L346-V350 HydrophobicContact CB-CG1 4.37Å; L346-V350 HydrophobicContact CD1-CG1 4.06Å; P347-V350 HydrophobicContact CB-CG2 4.32Å; P347-V350 HydrophobicContact CG-CG2 4.44Å; P347-V350 PolarHBondContact O-N 3.43Å; V350-L352 VanDerWaalsContact C-N 3.32Å; V350-L352 PolarHBondContact O-N 2.81Å; V350-D353 PolarHBondContact O-N 2.79Å; V350-L354 HydrophobicContact CG1-CD1 4.07Å; V350-L354 HydrophobicContact CG1-CG 4.35Å; V350-L354 WeakPolarHBondContact O-CB 3.47Å; V350-L354 VanDerWaalsContact O-CG 3.31Å; V350-L354 WeakPolarHBondContact O-CG 3.4Å; V350-L354 PolarHBondContact O-N 2.87Å
351K85.1Confident79.7Confident63 Ų6370.6 Ų70.627%0.27438%0.382SS..Hα-helixtrans-60.5-42.4175.8-67.7-167.9-71-165.90112I343 D344 L346 P347 P348 L354 Q355I343-K351 HydrophobicContact CG2-CG 4.36Å; I343-K351 VanDerWaalsContact O-CD 3.25Å; I343-K351 WeakPolarHBondContact O-CD 3.13Å; I343-K351 WeakPolarHBondContact O-CG 3.34Å; D344-K351 PolarHBondContact O-NZ 3.31Å; L346-K351 HydrophobicContact CB-CG 3.96Å; L346-K351 WeakPolarHBondContact O-CD 3.49Å; L346-K351 WeakPolarHBondContact O-CE 3.1Å; P347-K351 PolarHBondContact O-N 2.81Å; P348-K351 PolarHBondContact O-N 3.36Å; K351-L354 PolarHBondContact O-N 3.04Å; K351-Q355 WeakPolarHBondContact O-CG 3.46Å; K351-Q355 PolarHBondContact O-N 3.02Å; K351-Q355 VanDerWaalsContact O-N 3.13Å
352L82.6Confident77.8Confident83 Ų8372.9 Ų72.944%0.43538%0.382SS..Hα-helixtrans-62.1-47.4176.2-173.667.2000111.3P348 V350 L354 Q355 L356P348-L352 PolarHBondContact O-N 3.46Å; V350-L352 VanDerWaalsContact C-N 3.32Å; V350-L352 PolarHBondContact O-N 2.81Å; L352-L354 VanDerWaalsContact C-N 3.32Å; L352-L354 PolarHBondContact O-N 3.23Å; L352-Q355 WeakPolarHBondContact O-CB 3.35Å; L352-Q355 PolarHBondContact O-N 3.36Å; L352-Q355 VanDerWaalsContact O-N 3.09Å; L352-L356 PolarHBondContact O-N 3.39Å
353D84.3Confident75.4Confident28 Ų2872.6 Ų72.615%0.1539%0.389CS..Hα-helixtrans-64.4-36.7178.9-69.1-10.9000112.2R326 M330 S349 V350 Q355 L356 L357R326-D353 IonicContact CZ-OD2 3.05Å; R326-D353 IonicContact NH1-OD2 2.77Å; R326-D353 PolarHBondContact NH1-OD2 3.4Å; R326-D353 IonicContact NH2-OD2 2.65Å; R326-D353 PolarHBondContact NH2-OD2 2.97Å; M330-D353 HydrophobicContact CE-CB 4.3Å; M330-D353 HydrophobicContact SD-CB 3.62Å; S349-D353 PolarHBondContact O-N 3.49Å; S349-D353 VanDerWaalsContact O-N 3.14Å; V350-D353 PolarHBondContact O-N 2.79Å; D353-Q355 VanDerWaalsContact C-N 3.26Å; D353-Q355 PolarHBondContact O-N 3.16Å; D353-L356 WeakPolarHBondContact O-CB 3.48Å; D353-L356 PolarHBondContact O-N 3.2Å; D353-L356 VanDerWaalsContact O-N 3.12Å; D353-L357 PolarHBondContact O-N 3.41Å
354L84.8Confident72.9Confident2 Ų278.8 Ų78.81%0.0142%0.422CS..Hα-helixtrans-62.8-31.4173.4-76.5170.5000112.6M330 V333 I343 L346 V350 K351 L352 L356 L357M330-L354 HydrophobicContact CB-CD2 3.81Å; M330-L354 HydrophobicContact CG-CD2 4.14Å; M330-L354 WeakPolarHBondContact O-CD2 3.4Å; V333-L354 HydrophobicContact CG1-CD1 4.32Å; I343-L354 HydrophobicContact CD1-CD1 4.42Å; I343-L354 HydrophobicContact CG1-CD1 4.2Å; I343-L354 HydrophobicContact CG2-CD1 4Å; L346-L354 HydrophobicContact CD1-CD1 3.53Å; V350-L354 HydrophobicContact CG1-CD1 4.07Å; V350-L354 HydrophobicContact CG1-CG 4.35Å; V350-L354 WeakPolarHBondContact O-CB 3.47Å; V350-L354 VanDerWaalsContact O-CG 3.31Å; V350-L354 WeakPolarHBondContact O-CG 3.4Å; V350-L354 PolarHBondContact O-N 2.87Å; K351-L354 PolarHBondContact O-N 3.04Å; L352-L354 VanDerWaalsContact C-N 3.32Å; L352-L354 PolarHBondContact O-N 3.23Å; L354-L356 VanDerWaalsContact C-N 3.29Å; L354-L357 HydrophobicContact CD2-CD1 3.73Å; L354-L357 PolarHBondContact O-N 3.32Å
355Q82.6Confident70.3Confident128 Ų12880 Ų8060%0.59843%0.428SS*.Hα-helixtrans-69-29.8175-70.6172.2-5.200112.2K351 L352 D353K351-Q355 WeakPolarHBondContact O-CG 3.46Å; K351-Q355 PolarHBondContact O-N 3.02Å; K351-Q355 VanDerWaalsContact O-N 3.13Å; L352-Q355 WeakPolarHBondContact O-CB 3.35Å; L352-Q355 PolarHBondContact O-N 3.36Å; L352-Q355 VanDerWaalsContact O-N 3.09Å; D353-Q355 VanDerWaalsContact C-N 3.26Å; D353-Q355 PolarHBondContact O-N 3.16Å
356L83.4Confident67.8Low35 Ų3578.6 Ų78.618%0.18343%0.429CS..Hα-helixtrans-81.6-14179.3-60.3176.9000113.6F5 C6 I7 Y53 L352 D353 L354 S358F5-L356 CarbonylContact C-O 3.55Å; F5-L356 WeakPolarHBondContact CA-O 3.47Å; F5-L356 WeakPolarHBondContact CB-O 3.39Å; F5-L356 HydrophobicContact CD1-CB 3.76Å; F5-L356 HydrophobicContact CE1-CB 4.42Å; C6-L356 PolarHBondContact N-O 2.78Å; I7-L356 HydrophobicContact CG1-CD2 4.07Å; Y53-L356 HydrophobicContact CD2-CD1 4.43Å; Y53-L356 HydrophobicContact CG-CD1 4.19Å; L352-L356 PolarHBondContact O-N 3.39Å; D353-L356 WeakPolarHBondContact O-CB 3.48Å; D353-L356 PolarHBondContact O-N 3.2Å; D353-L356 VanDerWaalsContact O-N 3.12Å; L354-L356 VanDerWaalsContact C-N 3.29Å; L356-S358 PolarHBondContact O-N 3.02Å
357L82.6Confident65.2Low10 Ų1085.8 Ų85.85%0.05245%0.453CS..BIsolated β-bridgetrans-56.6142.5179.1-75.2-179.1000110.8T4 F5 M330 I331 W334 D353 L354 K359T4-L357 CarbonylContact O-C 3.58Å; T4-L357 VanDerWaalsContact O-CA 3.31Å; T4-L357 WeakPolarHBondContact O-CA 3.44Å; T4-L357 VanDerWaalsContact O-CD2 3.3Å; T4-L357 WeakPolarHBondContact O-CD2 3.16Å; F5-L357 HydrophobicContact CD1-CD2 4.22Å; F5-L357 HydrophobicContact CE1-CD2 3.93Å; F5-L357 HydrophobicContact CZ-CD2 4.48Å; M330-L357 HydrophobicContact CB-CD1 4.08Å; I331-L357 HydrophobicContact CG1-CD2 4.43Å; W334-L357 HydrophobicContact CB-CD1 4.13Å; D353-L357 PolarHBondContact O-N 3.41Å; L354-L357 HydrophobicContact CD2-CD1 3.73Å; L354-L357 PolarHBondContact O-N 3.32Å; L357-K359 VanDerWaalsContact C-N 3.31Å; L357-K359 WeakPolarHBondContact O-CG 3.41Å; L357-K359 PolarHBondContact O-N 2.93Å
358S72.5Confident62.8Low12 Ų1292.2 Ų92.28%0.08447%0.473CS..  trans-72.489.8170.2660000109W3 T4 L356 E360W3-S358 PolarHBondContact O-OG 3.2Å; T4-S358 PolarHBondContact O-N 3.22Å; L356-S358 PolarHBondContact O-N 3.02Å; S358-E360 PolarHBondContact O-N 2.81Å
359K68.6Low60.9Low84 Ų8493.7 Ų93.737%0.36548%0.476SS..  trans-71.3110.7-172.2-64.3167.2178179.40111.3N265 W334 L357 V361N265-K359 PolarHBondContact ND2-O 3.41Å; W334-K359 HydrophobicContact CD2-CG 4.33Å; W334-K359 HydrophobicContact CH2-CD 3.67Å; W334-K359 HydrophobicContact CH2-CG 4.23Å; W334-K359 HydrophobicContact CZ2-CB 4.14Å; W334-K359 HydrophobicContact CZ2-CD 3.32Å; W334-K359 VanDerWaalsContact CZ2-CE 3.49Å; W334-K359 HydrophobicContact CZ2-CG 3.52Å; W334-K359 HydrophobicContact CZ3-CD 4.49Å; L357-K359 VanDerWaalsContact C-N 3.31Å; L357-K359 WeakPolarHBondContact O-CG 3.41Å; L357-K359 PolarHBondContact O-N 2.93Å; K359-V361 PolarHBondContact O-N 2.82Å
360E57.9Low58.8Low89 Ų8997.1 Ų97.142%0.41652%0.522SS..  trans-50.9131.8168.4-71.4-163.7168.200110.2N265 S358 K362N265-E360 WeakPolarHBondContact ND2-CA 3.46Å; N265-E360 PolarHBondContact ND2-N 3.25Å; N265-E360 WeakPolarHBondContact OD1-CA 3.4Å; S358-E360 PolarHBondContact O-N 2.81Å; E360-K362 PolarHBondContact O-N 3.42Å
361V46.6Very low57.5Low130 Ų130100.2 Ų100.279%0.78854%0.538SS*.  trans-64.8106.61661790000104.4K359 P363K359-V361 PolarHBondContact O-N 2.82Å; V361-P363 WeakPolarHBondContact O-CD 2.91Å
362K38.5Very low56.1Low124 Ų124102.2 Ų102.254%0.53955%0.551SS.*  trans-45.3120.4177.9-72.4-176.1177.4-179.30107.1E360 N364E360-K362 PolarHBondContact O-N 3.42Å; K362-N364 PolarHBondContact O-N 3.01Å; K362-N364 VanDerWaalsContact O-N 3.08Å
363P31.5Very low54.6Low98 Ų98103.2 Ų103.264%0.63656%0.558SS**  trans-55.8126.8172.221.7-29.9000105.8V361 I365V361-P363 WeakPolarHBondContact O-CD 2.91Å; P363-I365 PolarHBondContact O-N 3.33Å
364N30.4Very low52.8Low155 Ų155107.6 Ų107.683%0.82958%0.582SS**  trans-53.699.9170.5-82-31.7000105.9K362 V366K362-N364 PolarHBondContact O-N 3.01Å; K362-N364 VanDerWaalsContact O-N 3.08Å; N364-V366 PolarHBondContact O-N 3.27Å
365I30Very low50.8Low152 Ų152114.3 Ų114.378%0.77962%0.618SS**  trans-69.487.9167.8-60.4174.8000102.8P363 R367P363-I365 PolarHBondContact O-N 3.33Å; I365-R367 VanDerWaalsContact C-N 3.29Å; I365-R367 PolarHBondContact O-N 2.78Å
366V33.3Very low48.7Very low121 Ų121113.3 Ų113.373%0.73362%0.619SS**  trans-55.9105.5164.2179.30000103.8N364 K368N364-V366 PolarHBondContact O-N 3.27Å; V366-K368 PolarHBondContact O-N 3.22Å
367R31.6Very low46.3Very low203 Ų203118.9 Ų118.977%0.76665%0.65SS**  trans-54.9115.5171-77.5-176.1173.9-178.1-1.7105.4I365 D369I365-R367 VanDerWaalsContact C-N 3.29Å; I365-R367 PolarHBondContact O-N 2.78Å; R367-D369 WeakPolarHBondContact CB-OD1 3.29Å; R367-D369 PolarHBondContact O-N 2.99Å
368K36.9Very low43.5Very low207 Ų207127.3 Ų127.390%0.970%0.696SS**  trans-70.291.8157.3-78.4-171.4175.6-176.20104.5V366 G370V366-K368 PolarHBondContact O-N 3.22Å; K368-G370 PolarHBondContact O-N 2.63Å; K368-G370 VanDerWaalsContact O-N 3.14Å
369D48.1Very low41Very low136 Ų136136.9 Ų136.973%0.72775%0.747SS**  trans-56.2115.7163.6-56.5-27.3000105.5R367R367-D369 WeakPolarHBondContact CB-OD1 3.29Å; R367-D369 PolarHBondContact O-N 2.99Å
370G39.1Very low38.5Very low144 Ų144141.7 Ų141.7100%1.48578%0.782SS**  trans-70.40163.800000110.6K368K368-G370 PolarHBondContact O-N 2.63Å; K368-G370 VanDerWaalsContact O-N 3.14Å

Retrieved 370 of 370 residues in 555.8 ms (Link to these results)

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