A0A087YN21_POEFO Loading...

Nucleoside-triphosphatase, cancer-related

AlphaFold DB , UniProt , Accession A0A087YN21, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 195 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
1M76.1Confident92.7Very high140 Ų14046.5 Ų46.569%0.6925%0.248SC*.  0142.40-174.4159.6-148.500108H193M1-H193 HydrophobicContact CE-CB 4.39Å; M1-H193 WeakPolarHBondContact CE-CD2 3.41Å; M1-H193 WeakPolarHBondContact CE-NE2 3.1Å; M1-H193 HydrophobicContact SD-CB 4.07Å
2F91.6Very high92.1Very high81 Ų8149.4 Ų49.436%0.35530%0.298SS..  trans-83.5140.5-178.3-54.3-62.9000110.6D165 V166 K167 C190F2-D165 CarbonylContact C-O 3.57Å; F2-D165 WeakPolarHBondContact CA-O 3.4Å; F2-V166 VanDerWaalsContact CD1-C 3.41Å; F2-V166 WeakPolarHBondContact CD1-O 3.37Å; F2-V166 WeakPolarHBondContact CE1-O 3.26Å; F2-K167 HydrophobicContact CB-CB 4.09Å; F2-K167 HydrophobicContact CD1-CB 3.9Å; F2-K167 HydrophobicContact CD2-CB 3.91Å; F2-K167 HydrophobicContact CD2-CD 4.15Å; F2-K167 HydrophobicContact CD2-CG 4.39Å; F2-K167 HydrophobicContact CE1-CB 4.3Å; F2-K167 HydrophobicContact CE1-CD 4.38Å; F2-K167 HydrophobicContact CE2-CB 4.33Å; F2-K167 HydrophobicContact CE2-CD 3.76Å; F2-K167 HydrophobicContact CE2-CG 4.48Å; F2-K167 HydrophobicContact CG-CB 3.69Å; F2-K167 HydrophobicContact CZ-CD 3.88Å; F2-C190 PolarHBondContact O-SG 2.92Å
3K93.1Very high92Very high94 Ų9445.9 Ų45.941%0.40928%0.277SS..SBendtrans-112.9-21.9173.9-67.8-175.1172.3-172.40112.3T141 D165K3-T141 WeakPolarHBondContact O-CG2 3.34Å; K3-T141 PolarHBondContact O-OG1 3.43Å; K3-D165 HydrophobicContact CB-CB 4.2Å; K3-D165 HydrophobicContact CD-CB 4.25Å; K3-D165 HydrophobicContact CG-CB 4.13Å; K3-D165 PolarHBondContact N-O 3.16Å
4H95.9Very high91.9Very high1 Ų143.7 Ų43.71%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-136.6152.3-175.2-49.8-50.3000110.2F6 L135 I142 D165 V166 K167H4-F6 HydrophobicContact CB-CD2 4.41Å; H4-F6 HydrophobicContact CB-CE2 4.09Å; H4-L135 HydrophobicContact CB-CD2 4.47Å; H4-L135 PolarHBondContact NE2-O 3.17Å; H4-I142 HydrophobicContact CB-CB 4.3Å; H4-I142 PolarHBondContact ND1-N 2.95Å; H4-D165 PolarHBondContact N-O 3.17Å; H4-D165 VanDerWaalsContact N-O 3.09Å; H4-V166 HydrophobicContact CB-CG2 4.1Å; H4-V166 WeakPolarHBondContact O-CA 3.36Å; H4-K167 PolarHBondContact O-N 3.11Å
5V97.5Very high92Very high0 Ų041.7 Ų41.70%025%0.254CS..EExtended strand (participates in β ladder)trans-124.6130-178.5-178.50000109.1I142 L143 G144 K167 F169 I183 T186 L187V5-I142 PolarHBondContact N-O 2.77Å; V5-L143 HydrophobicContact CB-CD1 4.09Å; V5-L143 HydrophobicContact CG1-CD1 3.95Å; V5-L143 VanDerWaalsContact O-CA 3.29Å; V5-L143 WeakPolarHBondContact O-CA 3.38Å; V5-G144 PolarHBondContact O-N 2.92Å; V5-K167 CarbonylContact C-O 3.5Å; V5-K167 WeakPolarHBondContact CA-O 3.4Å; V5-F169 HydrophobicContact CG1-CD2 3.67Å; V5-F169 HydrophobicContact CG1-CE2 3.65Å; V5-I183 HydrophobicContact CG1-CG2 4.35Å; V5-T186 HydrophobicContact CG2-CG2 3.64Å; V5-L187 HydrophobicContact CB-CD2 3.88Å; V5-L187 HydrophobicContact CB-CG 4.34Å; V5-L187 HydrophobicContact CG2-CD2 3.7Å; V5-L187 HydrophobicContact CG2-CG 3.99Å
6F98.1Very high92Very high0 Ų041.8 Ų41.80%026%0.255CS..EExtended strand (participates in β ladder)trans-128144.5178.3-81.4-94.2000111.3H4 I117 L135 I142 G144 I146 V160 V166 K167 V168 F169H4-F6 HydrophobicContact CB-CD2 4.41Å; H4-F6 HydrophobicContact CB-CE2 4.09Å; F6-I117 HydrophobicContact CE1-CD1 3.56Å; F6-I117 HydrophobicContact CE1-CG1 4.44Å; F6-I117 HydrophobicContact CZ-CD1 4.01Å; F6-L135 HydrophobicContact CE2-CD2 3.91Å; F6-L135 HydrophobicContact CZ-CD2 4.15Å; F6-I142 HydrophobicContact CE1-CG2 4.28Å; F6-I142 HydrophobicContact CE2-CB 4.35Å; F6-I142 HydrophobicContact CE2-CG2 3.88Å; F6-I142 HydrophobicContact CZ-CB 4.42Å; F6-I142 HydrophobicContact CZ-CG2 3.54Å; F6-G144 CarbonylContact C-O 3.59Å; F6-G144 VanDerWaalsContact CA-O 3.22Å; F6-G144 WeakPolarHBondContact CA-O 3.14Å; F6-I146 HydrophobicContact CB-CG1 4.45Å; F6-I146 HydrophobicContact CD1-CG2 3.92Å; F6-I146 HydrophobicContact CE1-CG2 4.28Å; F6-V160 HydrophobicContact CB-CG1 4.41Å; F6-V160 HydrophobicContact CD1-CG1 3.71Å; F6-V160 HydrophobicContact CD2-CG1 3.61Å; F6-V160 HydrophobicContact CE1-CG1 3.76Å; F6-V160 HydrophobicContact CE2-CG1 3.63Å; F6-V160 HydrophobicContact CG-CG1 3.62Å; F6-V160 HydrophobicContact CZ-CG1 3.69Å; F6-V160 HydrophobicContact CZ-CG2 4.35Å; F6-V166 HydrophobicContact CB-CG1 4.19Å; F6-V166 HydrophobicContact CD2-CG1 3.55Å; F6-V166 HydrophobicContact CD2-CG2 4.39Å; F6-V166 HydrophobicContact CE2-CG1 4.35Å; F6-V166 HydrophobicContact CE2-CG2 4.42Å; F6-V166 HydrophobicContact CG-CG1 4.22Å; F6-K167 PolarHBondContact N-O 3.44Å; F6-V168 HydrophobicContact CB-CG2 4.37Å; F6-V168 CarbonylContact O-C 3.6Å; F6-V168 VanDerWaalsContact O-CA 3.29Å; F6-V168 WeakPolarHBondContact O-CA 3.43Å; F6-F169 PolarHBondContact O-N 3.34Å
7L97.5Very high92Very high1 Ų143.6 Ų43.61%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-107.5136174.6-66.270.8000109L18 V19 L143 G144 T145 I146 F169 V171 I183L7-L18 HydrophobicContact CD2-CB 3.93Å; L7-L18 HydrophobicContact CD2-CD1 4.25Å; L7-V19 HydrophobicContact CD1-CG2 4.39Å; L7-V19 HydrophobicContact CD2-CG2 4.18Å; L7-L143 HydrophobicContact CD1-CD1 3.52Å; L7-G144 PolarHBondContact N-O 2.68Å; L7-T145 HydrophobicContact CB-CG2 4.12Å; L7-T145 CarbonylContact O-C 3.59Å; L7-T145 VanDerWaalsContact O-CA 3.25Å; L7-T145 WeakPolarHBondContact O-CA 3.13Å; L7-I146 PolarHBondContact O-N 2.66Å; L7-F169 CarbonylContact C-O 3.55Å; L7-F169 WeakPolarHBondContact CA-O 3.23Å; L7-V171 HydrophobicContact CB-CG2 4.11Å; L7-V171 HydrophobicContact CD2-CG2 4.05Å; L7-V171 HydrophobicContact CG-CG2 4.28Å; L7-I183 HydrophobicContact CD1-CD1 4.41Å; L7-I183 HydrophobicContact CD2-CD1 3.94Å; L7-I183 HydrophobicContact CG-CD1 4.15Å
8T96.7Very high92.1Very high4 Ų441.6 Ų41.63%0.02525%0.253CS..EExtended strand (participates in β ladder)trans-128.4154.4170.1-161.80000110.1I146 P147 V148 V168 F169 T170 V171T8-I146 WeakPolarHBondContact CA-O 3.49Å; T8-I146 WeakPolarHBondContact CB-O 3.32Å; T8-I146 PolarHBondContact OG1-O 2.97Å; T8-P147 PolarHBondContact OG1-O 3.23Å; T8-V148 PolarHBondContact OG1-N 2.6Å; T8-V168 HydrophobicContact CG2-CG1 3.74Å; T8-F169 PolarHBondContact N-O 2.83Å; T8-T170 HydrophobicContact CG2-CG2 4.43Å; T8-T170 CarbonylContact O-C 3.54Å; T8-T170 WeakPolarHBondContact O-CA 3.2Å; T8-V171 PolarHBondContact O-N 3.47Å
9G94.1Very high92.3Very high1 Ų139.6 Ų39.61%0.0124%0.241CC..EExtended strand (participates in β ladder)trans164.8167.4-177.800000111.8V148G9-V148 VanDerWaalsContact C-CG1 3.49Å
10P91.4Very high92.3Very high68 Ų6840.8 Ų40.844%0.44224%0.244SC..  trans-62.6149.7-179.323.1-28.1000111.2G12 V13P10-G12 PolarHBondContact O-N 3.21Å; P10-V13 HydrophobicContact CG-CB 4.06Å; P10-V13 HydrophobicContact CG-CG2 4.3Å; P10-V13 WeakPolarHBondContact O-CB 3.38Å; P10-V13 VanDerWaalsContact O-CG1 3.23Å; P10-V13 WeakPolarHBondContact O-CG1 3.32Å; P10-V13 PolarHBondContact O-N 2.83Å
11P87.2Confident92.4Very high121 Ų12142.9 Ų42.979%0.78625%0.25SC*.THydrogen-bonded Turntrans-52.7138.1173.7-26.134.7000111.7V13P11-V13 VanDerWaalsContact C-N 3.3Å; P11-V13 PolarHBondContact O-N 3.29Å
12G85.9Confident93.3Very high82 Ų8236.3 Ų36.385%0.84522%0.217SC*.THydrogen-bonded Turntrans76.45.5179.600000115.9P10 G14P10-G12 PolarHBondContact O-N 3.21Å; G12-G14 PolarHBondContact O-N 3.1Å
13V91.4Very high93.4Very high4 Ų433 Ų332%0.02420%0.204CC..SBendtrans-68.9-20176.374.60000113.5P10 P11 K15 V171 S172 K173 R176P10-V13 HydrophobicContact CG-CB 4.06Å; P10-V13 HydrophobicContact CG-CG2 4.3Å; P10-V13 WeakPolarHBondContact O-CB 3.38Å; P10-V13 VanDerWaalsContact O-CG1 3.23Å; P10-V13 WeakPolarHBondContact O-CG1 3.32Å; P10-V13 PolarHBondContact O-N 2.83Å; P11-V13 VanDerWaalsContact C-N 3.3Å; P11-V13 PolarHBondContact O-N 3.29Å; V13-K15 HydrophobicContact CG1-CD 4.36Å; V13-K15 HydrophobicContact CG1-CG 3.54Å; V13-V171 HydrophobicContact CG1-CB 4.09Å; V13-V171 HydrophobicContact CG1-CG1 3.87Å; V13-V171 HydrophobicContact CG2-CG1 4.1Å; V13-S172 VanDerWaalsContact CG2-C 3.43Å; V13-K173 HydrophobicContact CG2-CG 4.21Å; V13-R176 PolarHBondContact O-NH1 3.48Å
14G90.3Very high93.4Very high15 Ų1534.6 Ų34.616%0.15521%0.213CC..SBendtrans105.728.1-17900000114.7G12 T17 L18G12-G14 PolarHBondContact O-N 3.1Å; G14-T17 WeakPolarHBondContact O-CB 3.36Å; G14-T17 PolarHBondContact O-N 2.95Å; G14-L18 PolarHBondContact O-N 3.19Å
15K93.9Very high93.3Very high14 Ų1436 Ų366%0.06123%0.225CC..Hα-helixtrans-57.6-50.1177.4-47.6-168.8-49.9-71.40111.4V13 T17 L18 V19 E116 T145V13-K15 HydrophobicContact CG1-CD 4.36Å; V13-K15 HydrophobicContact CG1-CG 3.54Å; K15-T17 VanDerWaalsContact C-N 3.3Å; K15-T17 PolarHBondContact O-N 3.31Å; K15-L18 WeakPolarHBondContact O-CA 3.46Å; K15-L18 WeakPolarHBondContact O-CB 3.18Å; K15-L18 PolarHBondContact O-N 2.85Å; K15-V19 PolarHBondContact O-N 3.25Å; K15-E116 WeakPolarHBondContact CE-OE2 3.34Å; K15-E116 IonicContact NZ-OE2 3.18Å; K15-E116 PolarHBondContact NZ-OE2 2.88Å; K15-T145 HydrophobicContact CB-CG2 4.1Å
16T91.4Very high93.1Very high43 Ų4336.2 Ų36.226%0.26423%0.226SC..Hα-helixtrans-55.2-44.4176.2-51.70000112.1L18 V19 Q20 D115T16-L18 VanDerWaalsContact C-N 3.31Å; T16-L18 PolarHBondContact O-N 3.44Å; T16-V19 PolarHBondContact O-N 2.93Å; T16-Q20 WeakPolarHBondContact O-CG 3.13Å; T16-Q20 PolarHBondContact O-N 3.08Å; T16-D115 WeakPolarHBondContact CA-OD2 3.22Å; T16-D115 WeakPolarHBondContact CB-OD2 3.36Å; T16-D115 WeakPolarHBondContact CG2-OD2 3.48Å; T16-D115 PolarHBondContact OG1-OD2 3.47Å
17T92Very high92.7Very high72 Ų7240.2 Ų40.244%0.44225%0.25SS..Hα-helixtrans-62.3-37175.9-49.40000112.5G14 K15 K21G14-T17 WeakPolarHBondContact O-CB 3.36Å; G14-T17 PolarHBondContact O-N 2.95Å; K15-T17 VanDerWaalsContact C-N 3.3Å; K15-T17 PolarHBondContact O-N 3.31Å; T17-K21 WeakPolarHBondContact O-CG 3.46Å; T17-K21 PolarHBondContact O-N 3.09Å; T17-K21 VanDerWaalsContact O-N 3.09Å
18L94.3Very high92.5Very high7 Ų745.2 Ų45.24%0.03729%0.285CS..Hα-helixtrans-69.7-40.3174.8-70.7176.6000112.4L7 G14 K15 T16 K21 A22 V171 R176 L180L7-L18 HydrophobicContact CD2-CB 3.93Å; L7-L18 HydrophobicContact CD2-CD1 4.25Å; G14-L18 PolarHBondContact O-N 3.19Å; K15-L18 WeakPolarHBondContact O-CA 3.46Å; K15-L18 WeakPolarHBondContact O-CB 3.18Å; K15-L18 PolarHBondContact O-N 2.85Å; T16-L18 VanDerWaalsContact C-N 3.31Å; T16-L18 PolarHBondContact O-N 3.44Å; L18-K21 PolarHBondContact O-N 2.95Å; L18-A22 WeakPolarHBondContact O-CB 3.48Å; L18-A22 PolarHBondContact O-N 2.98Å; L18-V171 HydrophobicContact CD1-CB 4.49Å; L18-V171 HydrophobicContact CD1-CG1 3.65Å; L18-V171 HydrophobicContact CD1-CG2 3.93Å; L18-R176 HydrophobicContact CD1-CB 3.97Å; L18-R176 HydrophobicContact CD2-CB 4.45Å; L18-R176 WeakPolarHBondContact CD2-O 3.34Å; L18-R176 HydrophobicContact CG-CB 4.49Å; L18-L180 HydrophobicContact CD2-CB 4.43Å
19V95.1Very high92.1Very high4 Ų448.8 Ų48.82%0.02431%0.311CS..Hα-helixtrans-60-47.6174.7171.60000110.2L7 K15 T16 K21 A22 C23 I113 L143 T145L7-V19 HydrophobicContact CD1-CG2 4.39Å; L7-V19 HydrophobicContact CD2-CG2 4.18Å; K15-V19 PolarHBondContact O-N 3.25Å; T16-V19 PolarHBondContact O-N 2.93Å; V19-K21 PolarHBondContact O-N 3.32Å; V19-A22 PolarHBondContact O-N 3.38Å; V19-C23 PolarHBondContact O-N 2.89Å; V19-C23 PolarHBondContact O-SG 3.11Å; V19-I113 HydrophobicContact CG1-CG2 3.49Å; V19-I113 VanDerWaalsContact CG1-CG2 3.49Å; V19-L143 HydrophobicContact CG1-CD2 4.37Å; V19-T145 HydrophobicContact CG2-CG2 3.6Å
20Q93.1Very high91.8Very high63 Ų6352.2 Ų52.229%0.29435%0.345SS..Hα-helixtrans-58.3-48.5177.4-73.4173.3-20.700112T16 A22 C23 E24T16-Q20 WeakPolarHBondContact O-CG 3.13Å; T16-Q20 PolarHBondContact O-N 3.08Å; Q20-A22 VanDerWaalsContact C-N 3.3Å; Q20-A22 PolarHBondContact O-N 3.45Å; Q20-C23 WeakPolarHBondContact O-CB 3.32Å; Q20-C23 PolarHBondContact O-N 3.37Å; Q20-C23 VanDerWaalsContact O-N 3.13Å; Q20-E24 WeakPolarHBondContact O-CG 3.2Å; Q20-E24 PolarHBondContact O-N 3.48Å
21K94.3Very high91.7Very high86 Ų8650.4 Ų50.437%0.37433%0.333SS..Hα-helixtrans-60.5-38.5175.6-73.7179.8177.7-170.90113T17 L18 V19 A25 L180T17-K21 WeakPolarHBondContact O-CG 3.46Å; T17-K21 PolarHBondContact O-N 3.09Å; T17-K21 VanDerWaalsContact O-N 3.09Å; L18-K21 PolarHBondContact O-N 2.95Å; V19-K21 PolarHBondContact O-N 3.32Å; K21-A25 PolarHBondContact O-N 2.97Å; K21-A25 VanDerWaalsContact O-N 3.15Å; K21-L180 HydrophobicContact CB-CD1 4.02Å; K21-L180 HydrophobicContact CB-CD2 4.01Å; K21-L180 HydrophobicContact CD-CD2 4.2Å
22A94.7Very high91.8Very high1 Ų146.3 Ų46.31%0.00831%0.313CS..Hα-helixtrans-66-4117600000111.1L18 V19 Q20 A25 L26 L143 L180 I183 L184L18-A22 WeakPolarHBondContact O-CB 3.48Å; L18-A22 PolarHBondContact O-N 2.98Å; V19-A22 PolarHBondContact O-N 3.38Å; Q20-A22 VanDerWaalsContact C-N 3.3Å; Q20-A22 PolarHBondContact O-N 3.45Å; A22-A25 PolarHBondContact O-N 3.45Å; A22-L26 WeakPolarHBondContact O-CB 2.97Å; A22-L26 VanDerWaalsContact O-CG 3.24Å; A22-L26 WeakPolarHBondContact O-CG 3.29Å; A22-L26 PolarHBondContact O-N 2.95Å; A22-L143 HydrophobicContact CB-CD2 3.81Å; A22-L180 HydrophobicContact CB-CD1 4.12Å; A22-I183 HydrophobicContact CB-CG2 4.45Å; A22-L184 HydrophobicContact CB-CD2 4.16Å
23C93.1Very high92.1Very high12 Ų1244.3 Ų44.38%0.08128%0.284CS..Hα-helixtrans-60.1-48.1175-63.30000111.6V19 Q20 A25 L26 V27 I113V19-C23 PolarHBondContact O-N 2.89Å; V19-C23 PolarHBondContact O-SG 3.11Å; Q20-C23 WeakPolarHBondContact O-CB 3.32Å; Q20-C23 PolarHBondContact O-N 3.37Å; Q20-C23 VanDerWaalsContact O-N 3.13Å; C23-A25 VanDerWaalsContact C-N 3.3Å; C23-A25 PolarHBondContact O-N 3.45Å; C23-L26 PolarHBondContact O-N 3.31Å; C23-V27 WeakPolarHBondContact O-CG2 3.44Å; C23-V27 PolarHBondContact O-N 3.15Å; C23-I113 WeakPolarHBondContact SG-CD1 3.49Å; C23-I113 VanDerWaalsContact SG-CG1 3.58Å
24E93.6Very high92.2Very high128 Ų12846.6 Ų46.660%0.59830%0.295SS*.Hα-helixtrans-56.5-44177.5-71.3169.5-176.400111.9Q20 S28Q20-E24 WeakPolarHBondContact O-CG 3.2Å; Q20-E24 PolarHBondContact O-N 3.48Å; E24-S28 WeakPolarHBondContact O-CB 3.31Å; E24-S28 PolarHBondContact O-N 3.01Å; E24-S28 PolarHBondContact O-OG 2.79Å
25A93.8Very high92.4Very high30 Ų3045.9 Ų45.925%0.24829%0.288CS..Hα-helixtrans-68.2-38.5178.400000112.9K21 A22 C23 S28 S29 L184K21-A25 PolarHBondContact O-N 2.97Å; K21-A25 VanDerWaalsContact O-N 3.15Å; A22-A25 PolarHBondContact O-N 3.45Å; C23-A25 VanDerWaalsContact C-N 3.3Å; C23-A25 PolarHBondContact O-N 3.45Å; A25-S28 PolarHBondContact O-N 3.12Å; A25-S29 WeakPolarHBondContact O-CB 3.34Å; A25-S29 PolarHBondContact O-N 3.14Å; A25-S29 VanDerWaalsContact O-N 3.12Å; A25-S29 PolarHBondContact O-OG 3.33Å; A25-L184 HydrophobicContact CB-CD1 3.8Å; A25-L184 HydrophobicContact CB-CD2 3.88Å
26L92.4Very high92.5Very high5 Ų545.2 Ų45.23%0.02629%0.285CS..Hα-helixtrans-64-47.9175.6-73.7169.8000111.4A22 C23 S28 S29 G30 V31 V33 V111 L184 L187 L191A22-L26 WeakPolarHBondContact O-CB 2.97Å; A22-L26 VanDerWaalsContact O-CG 3.24Å; A22-L26 WeakPolarHBondContact O-CG 3.29Å; A22-L26 PolarHBondContact O-N 2.95Å; C23-L26 PolarHBondContact O-N 3.31Å; L26-S28 VanDerWaalsContact C-N 3.33Å; L26-S28 PolarHBondContact O-N 2.92Å; L26-S29 CarbonylContact O-C 3.54Å; L26-S29 WeakPolarHBondContact O-CA 3.38Å; L26-S29 WeakPolarHBondContact O-CB 3.44Å; L26-S29 PolarHBondContact O-N 3.3Å; L26-G30 PolarHBondContact O-N 3.39Å; L26-V31 HydrophobicContact CB-CB 4.15Å; L26-V31 HydrophobicContact CD2-CB 4.27Å; L26-V31 HydrophobicContact CD2-CG1 4.26Å; L26-V31 HydrophobicContact CD2-CG2 4.28Å; L26-V31 WeakPolarHBondContact O-CB 3.47Å; L26-V31 PolarHBondContact O-N 3.06Å; L26-V33 HydrophobicContact CB-CG1 3.88Å; L26-V33 HydrophobicContact CD1-CG1 4.1Å; L26-V111 HydrophobicContact CD1-CB 4Å; L26-V111 HydrophobicContact CD1-CG1 3.99Å; L26-V111 HydrophobicContact CD1-CG2 3.87Å; L26-V111 HydrophobicContact CD2-CG2 4.37Å; L26-L184 HydrophobicContact CG-CD2 4.38Å; L26-L187 HydrophobicContact CD1-CD1 4.26Å; L26-L191 HydrophobicContact CD2-CD1 4.34Å
27V91.2Very high92.7Very high84 Ų8445.1 Ų45.151%0.50928%0.28SS..Hα-helixtrans-59.9-44.8176.3171.90000110.8C23 S29 G30 V33C23-V27 WeakPolarHBondContact O-CG2 3.44Å; C23-V27 PolarHBondContact O-N 3.15Å; V27-S29 PolarHBondContact O-N 2.99Å; V27-S29 VanDerWaalsContact O-N 3.15Å; V27-G30 PolarHBondContact O-N 3.29Å; V27-V33 HydrophobicContact CG2-CB 4.41Å; V27-V33 HydrophobicContact CG2-CG1 4.17Å; V27-V33 HydrophobicContact CG2-CG2 3.35Å
28S92Very high92.7Very high106 Ų10642.7 Ų42.774%0.74127%0.265SS*.Hα-helixtrans-61.4-23176.4-58.40000113E24 A25 L26E24-S28 WeakPolarHBondContact O-CB 3.31Å; E24-S28 PolarHBondContact O-N 3.01Å; E24-S28 PolarHBondContact O-OG 2.79Å; A25-S28 PolarHBondContact O-N 3.12Å; L26-S28 VanDerWaalsContact C-N 3.33Å; L26-S28 PolarHBondContact O-N 2.92Å
29S89.3Confident92.6Very high79 Ų7945.2 Ų45.255%0.55228%0.276SS*.THydrogen-bonded Turntrans-93.45.8176.7-52.60000113.2A25 L26 V27A25-S29 WeakPolarHBondContact O-CB 3.34Å; A25-S29 PolarHBondContact O-N 3.14Å; A25-S29 VanDerWaalsContact O-N 3.12Å; A25-S29 PolarHBondContact O-OG 3.33Å; L26-S29 CarbonylContact O-C 3.54Å; L26-S29 WeakPolarHBondContact O-CA 3.38Å; L26-S29 WeakPolarHBondContact O-CB 3.44Å; L26-S29 PolarHBondContact O-N 3.3Å; V27-S29 PolarHBondContact O-N 2.99Å; V27-S29 VanDerWaalsContact O-N 3.15Å
30G87.9Confident92.5Very high72 Ų7249.1 Ų49.174%0.74229%0.294SS*.THydrogen-bonded Turntrans78.513.1-179.500000115.1L26 V27L26-G30 PolarHBondContact O-N 3.39Å; V27-G30 PolarHBondContact O-N 3.29Å
31V89Confident92.5Very high31 Ų3147.2 Ų47.219%0.18829%0.287CS..  trans-84131.2176.3179.50000109.6L26 V111 L191L26-V31 HydrophobicContact CB-CB 4.15Å; L26-V31 HydrophobicContact CD2-CB 4.27Å; L26-V31 HydrophobicContact CD2-CG1 4.26Å; L26-V31 HydrophobicContact CD2-CG2 4.28Å; L26-V31 WeakPolarHBondContact O-CB 3.47Å; L26-V31 PolarHBondContact O-N 3.06Å; V31-V111 HydrophobicContact CG1-CG2 3.94Å; V31-L191 HydrophobicContact CG1-CD1 3.94Å; V31-L191 HydrophobicContact CG2-CD1 4.18Å
32G89.7Confident92.5Very high35 Ų3550.1 Ų50.136%0.36130%0.296SS..EExtended strand (participates in β ladder)trans-67.8132.1174.200000111.1T110 V111G32-T110 CarbonylContact O-C 3.5Å; G32-T110 WeakPolarHBondContact O-CA 3.41Å; G32-V111 PolarHBondContact O-N 3.49Å
33V91.9Very high92.3Very high39 Ų3956.2 Ų56.224%0.23632%0.324CS..EExtended strand (participates in β ladder)trans-124136175.3-59.40000110L26 V27 L55 V111L26-V33 HydrophobicContact CB-CG1 3.88Å; L26-V33 HydrophobicContact CD1-CG1 4.1Å; V27-V33 HydrophobicContact CG2-CB 4.41Å; V27-V33 HydrophobicContact CG2-CG1 4.17Å; V27-V33 HydrophobicContact CG2-CG2 3.35Å; V33-L55 HydrophobicContact CB-CD1 3.89Å; V33-L55 HydrophobicContact CG2-CD1 3.76Å; V33-V111 WeakPolarHBondContact CA-O 3.49Å; V33-V111 HydrophobicContact CG1-CB 4.42Å
34E92.7Very high92.2Very high52 Ų5260.1 Ų60.124%0.24337%0.367CS..EExtended strand (participates in β ladder)trans-140.8159.5175.1-172.1173.6-161.100108.7L97 H100 V111 F112 I113E34-L97 HydrophobicContact CG-CD2 4.37Å; E34-H100 WeakPolarHBondContact OE1-CB 3.43Å; E34-H100 IonicContact OE1-CG 3.38Å; E34-V111 PolarHBondContact N-O 2.83Å; E34-V111 VanDerWaalsContact N-O 3.12Å; E34-F112 HydrophobicContact CB-CD2 4.23Å; E34-F112 HydrophobicContact CB-CE2 4.49Å; E34-F112 HydrophobicContact CG-CD2 4.45Å; E34-F112 HydrophobicContact CG-CE2 4.21Å; E34-F112 CarbonylContact O-C 3.48Å; E34-F112 VanDerWaalsContact O-CA 3.3Å; E34-F112 WeakPolarHBondContact O-CA 3.38Å; E34-I113 PolarHBondContact O-N 2.82Å
35G94.8Very high92Very high1 Ų157.3 Ų57.31%0.0137%0.372CS..EExtended strand (participates in β ladder)trans132.4-155.4174.600000111.8T54 L55 I113G35-T54 WeakPolarHBondContact O-CA 3.49Å; G35-L55 PolarHBondContact O-N 3.49Å; G35-I113 WeakPolarHBondContact CA-O 3.48Å
36F96.4Very high91.8Very high0 Ų063.1 Ų63.10%039%0.387CS..EExtended strand (participates in β ladder)trans-148.8161.6-174.768.5-89.9000112.4V52 V53 F90 A94 L97 F98 I113 I114 D115 F127F36-V52 HydrophobicContact CB-CG1 3.81Å; F36-V52 HydrophobicContact CD2-CG1 3.53Å; F36-V52 HydrophobicContact CE2-CG1 4.31Å; F36-V52 HydrophobicContact CG-CG1 3.8Å; F36-V53 CarbonylContact C-O 3.59Å; F36-V53 WeakPolarHBondContact CA-O 3.29Å; F36-V53 WeakPolarHBondContact CB-O 3.38Å; F36-F90 HydrophobicContact CE2-CE2 4.06Å; F36-F90 HydrophobicContact CZ-CE2 4.07Å; F36-F90 HydrophobicContact CZ-CZ 4.29Å; F36-A94 HydrophobicContact CD1-CB 4.16Å; F36-A94 HydrophobicContact CE1-CB 3.88Å; F36-A94 HydrophobicContact CZ-CB 4.21Å; F36-L97 HydrophobicContact CB-CD1 4.04Å; F36-L97 HydrophobicContact CD1-CD1 3.85Å; F36-L97 HydrophobicContact CG-CD1 4.4Å; F36-F98 HydrophobicContact CE1-CE2 4.14Å; F36-F98 HydrophobicContact CE1-CZ 4.31Å; F36-I113 PolarHBondContact N-O 2.82Å; F36-I114 HydrophobicContact CE1-CG2 4.3Å; F36-I114 HydrophobicContact CZ-CG2 3.88Å; F36-D115 PolarHBondContact O-N 3.36Å; F36-F127 AromaticContact CE1-CE2 3.93Å; F36-F127 HydrophobicContact CE1-CE2 3.93Å; F36-F127 AromaticContact CZ-CE2 3.56Å; F36-F127 HydrophobicContact CZ-CE2 3.56Å; F36-F127 AromaticContact CZ-CZ 3.88Å; F36-F127 HydrophobicContact CZ-CZ 3.88Å
37Y95.5Very high91.8Very high41 Ų4167 Ų6716%0.16140%0.401CS..EExtended strand (participates in β ladder)trans-133.2159.1170.156.5-86.2000111.2E39 V53 L55 D115Y37-E39 HydrophobicContact CD2-CG 3.73Å; Y37-E39 HydrophobicContact CE2-CG 3.57Å; Y37-E39 WeakPolarHBondContact CE2-OE1 3.45Å; Y37-V53 HydrophobicContact CD2-CB 4.24Å; Y37-V53 HydrophobicContact CE1-CB 4.3Å; Y37-V53 HydrophobicContact CE1-CG1 4.25Å; Y37-V53 HydrophobicContact CE2-CB 3.77Å; Y37-V53 HydrophobicContact CE2-CG1 4.1Å; Y37-V53 HydrophobicContact CE2-CG2 4.28Å; Y37-V53 PolarHBondContact N-O 2.94Å; Y37-V53 PolarHBondContact O-N 3.36Å; Y37-V53 WeakPolarHBondContact OH-CG1 3.2Å; Y37-L55 HydrophobicContact CD1-CD2 3.98Å; Y37-L55 HydrophobicContact CE1-CD2 3.98Å; Y37-D115 CarbonylContact C-O 3.59Å; Y37-D115 VanDerWaalsContact C-O 3.25Å; Y37-D115 WeakPolarHBondContact CA-O 3.24Å
38T92.3Very high92Very high21 Ų2164 Ų6413%0.12938%0.383CS..EExtended strand (participates in β ladder)trans-102.2126.9-179.6-63.70000109.5F50 D51 L62 D115T38-F50 HydrophobicContact CG2-CB 3.91Å; T38-F50 HydrophobicContact CG2-CD1 4.08Å; T38-F50 HydrophobicContact CG2-CG 4.42Å; T38-D51 CarbonylContact C-O 3.53Å; T38-D51 VanDerWaalsContact CA-O 3.25Å; T38-D51 WeakPolarHBondContact CA-O 3.3Å; T38-L62 HydrophobicContact CG2-CD2 3.75Å; T38-D115 WeakPolarHBondContact CB-O 3.45Å; T38-D115 PolarHBondContact N-O 3.17Å; T38-D115 PolarHBondContact OG1-O 2.92Å
39E92.4Very high92.1Very high59 Ų5959 Ų5928%0.27635%0.348SS..EExtended strand (participates in β ladder)trans-109.8141.4177.2-69.4-163.4146.900112.4Y37 V41 F50 D51 V53 R59Y37-E39 HydrophobicContact CD2-CG 3.73Å; Y37-E39 HydrophobicContact CE2-CG 3.57Å; Y37-E39 WeakPolarHBondContact CE2-OE1 3.45Å; E39-V41 PolarHBondContact O-N 3.12Å; E39-F50 CarbonylContact O-C 3.55Å; E39-F50 VanDerWaalsContact O-CA 3.23Å; E39-F50 WeakPolarHBondContact O-CA 3.3Å; E39-D51 PolarHBondContact N-O 3.26Å; E39-D51 PolarHBondContact O-N 2.94Å; E39-V53 HydrophobicContact CB-CG2 4.42Å; E39-V53 HydrophobicContact CG-CG2 4Å; E39-R59 IonicContact OE2-CZ 3.49Å; E39-R59 IonicContact OE2-NH1 2.99Å; E39-R59 PolarHBondContact OE2-NH1 3.28Å; E39-R59 IonicContact OE2-NH2 2.86Å; E39-R59 PolarHBondContact OE2-NH2 2.91Å
40E92.3Very high92.4Very high86 Ų8656.4 Ų56.440%0.40233%0.327SS..EExtended strand (participates in β ladder)trans-74.3123.7171.3-59.4-162139.600110.5R42 R47 F50E40-R42 IonicContact OE2-CZ 3.46Å; E40-R42 VanDerWaalsContact OE2-CZ 3.31Å; E40-R42 IonicContact OE2-NH1 3.89Å; E40-R42 PolarHBondContact OE2-NH1 3.31Å; E40-R42 IonicContact OE2-NH2 3.98Å; E40-R42 PolarHBondContact OE2-NH2 3.41Å; E40-R47 HydrophobicContact CB-CG 4.48Å; E40-R47 IonicContact OE1-CZ 3.79Å; E40-R47 IonicContact OE1-NH1 3.98Å; E40-R47 PolarHBondContact OE1-NH1 2.74Å; E40-F50 HydrophobicContact CG-CD1 4.15Å; E40-F50 HydrophobicContact CG-CE1 3.79Å
41V93.4Very high92.8Very high24 Ų2453.3 Ų53.315%0.14529%0.294CS..EExtended strand (participates in β ladder)trans-91.2124.6174.2-172.40000108.8E39 R47 V48 G49 D51E39-V41 PolarHBondContact O-N 3.12Å; V41-R47 CarbonylContact O-C 3.25Å; V41-R47 WeakPolarHBondContact O-CA 3.46Å; V41-V48 HydrophobicContact CB-CG2 4.08Å; V41-V48 HydrophobicContact CG1-CG2 3.65Å; V41-V48 WeakPolarHBondContact O-CG2 3.34Å; V41-V48 PolarHBondContact O-N 2.89Å; V41-G49 PolarHBondContact N-O 3.41Å; V41-G49 PolarHBondContact O-N 3.19Å; V41-D51 HydrophobicContact CG2-CB 4.06Å; V41-D51 VanDerWaalsContact CG2-CG 3.41Å; V41-D51 VanDerWaalsContact CG2-OD2 3.27Å; V41-D51 WeakPolarHBondContact CG2-OD2 3.5Å
42R93Very high93.1Very high147 Ų14751.9 Ų51.956%0.55529%0.285SS*.EExtended strand (participates in β ladder)trans-123.1135.3179-74-173.9156.186.28.4111.3E40 R46 R47E40-R42 IonicContact OE2-CZ 3.46Å; E40-R42 VanDerWaalsContact OE2-CZ 3.31Å; E40-R42 IonicContact OE2-NH1 3.89Å; E40-R42 PolarHBondContact OE2-NH1 3.31Å; E40-R42 IonicContact OE2-NH2 3.98Å; E40-R42 PolarHBondContact OE2-NH2 3.41Å; R42-R46 CarbonylContact C-O 3.45Å; R42-R46 WeakPolarHBondContact CA-O 3.49Å; R42-R47 HydrophobicContact CG-CB 4.35Å
43E92.2Very high93.4Very high128 Ų12850.4 Ų50.460%0.59827%0.269SS*.EExtended strand (participates in β ladder)trans-128.9131.8172.1-67.4174-169.500108.7G45 R46 V48E43-G45 PolarHBondContact O-N 3.05Å; E43-G45 VanDerWaalsContact O-N 3.12Å; E43-R46 PolarHBondContact N-O 3.29Å; E43-R46 PolarHBondContact O-N 2.95Å; E43-V48 HydrophobicContact CB-CG1 3.85Å; E43-V48 HydrophobicContact CB-CG2 4.27Å; E43-V48 HydrophobicContact CG-CG1 4.22Å; E43-V48 HydrophobicContact CG-CG2 3.78Å
44G90.4Very high93.6Very high95 Ų9548.6 Ų48.698%0.97926%0.258SS*.THydrogen-bonded Turntrans55.431.4-17800000114.1R46G44-R46 PolarHBondContact O-N 3.2Å
45G88.9Confident93.6Very high68 Ų6849 Ų4970%0.70126%0.262SS*.THydrogen-bonded Turntrans77.8-5.4-176.500000115.3E43E43-G45 PolarHBondContact O-N 3.05Å; E43-G45 VanDerWaalsContact O-N 3.12Å
46R90.3Very high93.4Very high153 Ų15353.2 Ų53.258%0.57730%0.296SS*.EExtended strand (participates in β ladder)trans-97.4137.5176.5-176.6176.7175.4173.2-0.8110.3R42 E43 G44 V48R42-R46 CarbonylContact C-O 3.45Å; R42-R46 WeakPolarHBondContact CA-O 3.49Å; E43-R46 PolarHBondContact N-O 3.29Å; E43-R46 PolarHBondContact O-N 2.95Å; G44-R46 PolarHBondContact O-N 3.2Å; R46-V48 PolarHBondContact O-N 2.91Å
47R92.9Very high93.2Very high85 Ų8555.9 Ų55.932%0.32132%0.324SS..EExtended strand (participates in β ladder)trans-70.9119.4171.6-171.3173.366.2-162.91.1109.7E40 V41 R42 I65 Y83E40-R47 HydrophobicContact CB-CG 4.48Å; E40-R47 IonicContact OE1-CZ 3.79Å; E40-R47 IonicContact OE1-NH1 3.98Å; E40-R47 PolarHBondContact OE1-NH1 2.74Å; V41-R47 CarbonylContact O-C 3.25Å; V41-R47 WeakPolarHBondContact O-CA 3.46Å; R42-R47 HydrophobicContact CG-CB 4.35Å; R47-I65 WeakPolarHBondContact O-CD1 3.47Å; R47-Y83 PolarHBondContact NE-OH 3.13Å; R47-Y83 PolarHBondContact NH2-OH 2.89Å
48V94.1Very high93.2Very high22 Ų2259.3 Ų59.313%0.13334%0.341CS..EExtended strand (participates in β ladder)trans-105.6-11.6-178.5-64.10000113.3V41 E43 R46 R64 I65V41-V48 HydrophobicContact CB-CG2 4.08Å; V41-V48 HydrophobicContact CG1-CG2 3.65Å; V41-V48 WeakPolarHBondContact O-CG2 3.34Å; V41-V48 PolarHBondContact O-N 2.89Å; E43-V48 HydrophobicContact CB-CG1 3.85Å; E43-V48 HydrophobicContact CB-CG2 4.27Å; E43-V48 HydrophobicContact CG-CG1 4.22Å; E43-V48 HydrophobicContact CG-CG2 3.78Å; R46-V48 PolarHBondContact O-N 2.91Å; V48-R64 CarbonylContact O-C 3.55Å; V48-R64 WeakPolarHBondContact O-CA 3.39Å; V48-I65 WeakPolarHBondContact O-CG1 3.19Å; V48-I65 PolarHBondContact O-N 3.49Å
49G94.8Very high93.4Very high0 Ų064.5 Ų64.50%036%0.358CS..EExtended strand (participates in β ladder)trans169.5-161.7178.400000113.2V41 S63V41-G49 PolarHBondContact N-O 3.41Å; V41-G49 PolarHBondContact O-N 3.19Å; G49-S63 CarbonylContact C-O 3.59Å; G49-S63 WeakPolarHBondContact CA-O 3.32Å
50F95.3Very high93.5Very high26 Ų2662.3 Ų62.311%0.11435%0.351CS..EExtended strand (participates in β ladder)trans-138.8140.3178.6-59.5-96.5000109.3T38 E39 E40 L62 S63 R64 Y83 M120T38-F50 HydrophobicContact CG2-CB 3.91Å; T38-F50 HydrophobicContact CG2-CD1 4.08Å; T38-F50 HydrophobicContact CG2-CG 4.42Å; E39-F50 CarbonylContact O-C 3.55Å; E39-F50 VanDerWaalsContact O-CA 3.23Å; E39-F50 WeakPolarHBondContact O-CA 3.3Å; E40-F50 HydrophobicContact CG-CD1 4.15Å; E40-F50 HydrophobicContact CG-CE1 3.79Å; F50-L62 HydrophobicContact CB-CB 4.24Å; F50-L62 HydrophobicContact CB-CD2 4.19Å; F50-L62 WeakPolarHBondContact O-CB 3.23Å; F50-L62 PolarHBondContact O-N 2.98Å; F50-S63 VanDerWaalsContact CD2-OG 3.32Å; F50-S63 WeakPolarHBondContact CD2-OG 3.48Å; F50-S63 PolarHBondContact N-O 3.09Å; F50-S63 PolarHBondContact O-N 3.32Å; F50-R64 PolarHBondContact O-NH1 3.11Å; F50-Y83 HydrophobicContact CD2-CD1 4.37Å; F50-Y83 HydrophobicContact CE2-CD1 4.15Å; F50-Y83 HydrophobicContact CE2-CD2 4.08Å; F50-Y83 HydrophobicContact CE2-CE1 4.05Å; F50-Y83 HydrophobicContact CE2-CE2 4.02Å; F50-Y83 HydrophobicContact CE2-CG 4.18Å; F50-Y83 AromaticContact CE2-CZ 3.99Å; F50-M120 HydrophobicContact CD2-CE 3.85Å; F50-M120 HydrophobicContact CD2-SD 4.01Å; F50-M120 HydrophobicContact CE2-CE 3.71Å; F50-M120 HydrophobicContact CE2-SD 4.35Å; F50-M120 HydrophobicContact CG-SD 4.44Å
51D96.2Very high93.7Very high7 Ų762.4 Ų62.44%0.03735%0.351CS..EExtended strand (participates in β ladder)trans-112.2149.4172-73.7-20.2000110.1T38 E39 V41 V53 R59 G60 H61 R64T38-D51 CarbonylContact C-O 3.53Å; T38-D51 VanDerWaalsContact CA-O 3.25Å; T38-D51 WeakPolarHBondContact CA-O 3.3Å; E39-D51 PolarHBondContact N-O 3.26Å; E39-D51 PolarHBondContact O-N 2.94Å; V41-D51 HydrophobicContact CG2-CB 4.06Å; V41-D51 VanDerWaalsContact CG2-CG 3.41Å; V41-D51 VanDerWaalsContact CG2-OD2 3.27Å; V41-D51 WeakPolarHBondContact CG2-OD2 3.5Å; D51-V53 HydrophobicContact CB-CG2 4.49Å; D51-R59 HydrophobicContact CB-CG 4.02Å; D51-R59 WeakPolarHBondContact OD2-CD 3.36Å; D51-R59 IonicContact OD2-CZ 3.57Å; D51-R59 IonicContact OD2-NH1 3.29Å; D51-R59 PolarHBondContact OD2-NH1 3.16Å; D51-G60 CarbonylContact C-O 3.48Å; D51-G60 VanDerWaalsContact CA-O 3.27Å; D51-G60 WeakPolarHBondContact CA-O 3.49Å; D51-G60 WeakPolarHBondContact CB-O 3.29Å; D51-H61 IonicContact OD1-CE1 3.68Å; D51-H61 IonicContact OD1-CG 2.78Å; D51-H61 IonicContact OD1-ND1 3.97Å; D51-H61 PolarHBondContact OD1-ND1 3.02Å; D51-R64 IonicContact OD1-CZ 3.71Å; D51-R64 IonicContact OD1-NH1 2.7Å; D51-R64 PolarHBondContact OD1-NH1 2.93Å; D51-R64 IonicContact OD1-NH2 3.66Å; D51-R64 PolarHBondContact OD1-NH2 2.73Å; D51-R64 IonicContact OD2-NH2 2.82Å; D51-R64 PolarHBondContact OD2-NH2 3.27Å
52V96.2Very high93.8Very high1 Ų161.2 Ų61.21%0.00635%0.345CS..EExtended strand (participates in β ladder)trans-92.6133.3161.7174.20000108.1F36 R59 G60 L62 F90 L93F36-V52 HydrophobicContact CB-CG1 3.81Å; F36-V52 HydrophobicContact CD2-CG1 3.53Å; F36-V52 HydrophobicContact CE2-CG1 4.31Å; F36-V52 HydrophobicContact CG-CG1 3.8Å; V52-R59 WeakPolarHBondContact O-CA 3.34Å; V52-G60 PolarHBondContact N-O 3.22Å; V52-G60 PolarHBondContact O-N 3.26Å; V52-L62 HydrophobicContact CG2-CB 3.87Å; V52-L62 HydrophobicContact CG2-CD1 4.3Å; V52-L62 HydrophobicContact CG2-CD2 4.33Å; V52-L62 HydrophobicContact CG2-CG 4.38Å; V52-F90 HydrophobicContact CB-CD2 4.48Å; V52-F90 HydrophobicContact CG2-CD2 3.52Å; V52-F90 HydrophobicContact CG2-CE2 3.9Å; V52-L93 HydrophobicContact CB-CD2 4.22Å; V52-L93 HydrophobicContact CG1-CD2 4Å; V52-L93 WeakPolarHBondContact O-CD2 3.42Å
53V96.1Very high93.9Very high4 Ų454.3 Ų54.32%0.02432%0.318CS..EExtended strand (participates in β ladder)trans-126.5122.2179.3-1720000108.6F36 Y37 E39 D51 E58 R59F36-V53 CarbonylContact C-O 3.59Å; F36-V53 WeakPolarHBondContact CA-O 3.29Å; F36-V53 WeakPolarHBondContact CB-O 3.38Å; Y37-V53 HydrophobicContact CD2-CB 4.24Å; Y37-V53 HydrophobicContact CE1-CB 4.3Å; Y37-V53 HydrophobicContact CE1-CG1 4.25Å; Y37-V53 HydrophobicContact CE2-CB 3.77Å; Y37-V53 HydrophobicContact CE2-CG1 4.1Å; Y37-V53 HydrophobicContact CE2-CG2 4.28Å; Y37-V53 PolarHBondContact N-O 2.94Å; Y37-V53 PolarHBondContact O-N 3.36Å; Y37-V53 WeakPolarHBondContact OH-CG1 3.2Å; E39-V53 HydrophobicContact CB-CG2 4.42Å; E39-V53 HydrophobicContact CG-CG2 4Å; D51-V53 HydrophobicContact CB-CG2 4.49Å; V53-E58 CarbonylContact C-O 3.49Å; V53-E58 VanDerWaalsContact CA-O 3.29Å; V53-E58 WeakPolarHBondContact CA-O 3.48Å; V53-R59 HydrophobicContact CG2-CG 4.34Å
54T95.6Very high94Very high1 Ų151.1 Ų51.11%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-77.2158.5176.474.80000110.2G35 A56 G57 E58 L93 L97G35-T54 WeakPolarHBondContact O-CA 3.49Å; T54-A56 PolarHBondContact O-N 3.48Å; T54-A56 PolarHBondContact OG1-N 3.31Å; T54-G57 PolarHBondContact O-N 3.11Å; T54-G57 PolarHBondContact OG1-N 2.9Å; T54-E58 HydrophobicContact CG2-CB 4.06Å; T54-E58 PolarHBondContact N-O 3.14Å; T54-E58 WeakPolarHBondContact OG1-CB 3.5Å; T54-E58 PolarHBondContact OG1-N 2.97Å; T54-E58 VanDerWaalsContact OG1-N 3.12Å; T54-L93 HydrophobicContact CG2-CD1 3.65Å; T54-L93 HydrophobicContact CG2-CD2 4.05Å; T54-L93 HydrophobicContact CG2-CG 3.66Å; T54-L97 HydrophobicContact CG2-CD1 3.93Å; T54-L97 HydrophobicContact CG2-CD2 4.46Å
55L92.3Very high94Very high61 Ų6148.5 Ų48.532%0.31926%0.264SS..THydrogen-bonded Turntrans-63.9-19.1172.8-62.3-175.1000112.8V33 G35 Y37 G57 I113V33-L55 HydrophobicContact CB-CD1 3.89Å; V33-L55 HydrophobicContact CG2-CD1 3.76Å; G35-L55 PolarHBondContact O-N 3.49Å; Y37-L55 HydrophobicContact CD1-CD2 3.98Å; Y37-L55 HydrophobicContact CE1-CD2 3.98Å; L55-G57 PolarHBondContact O-N 2.74Å; L55-I113 HydrophobicContact CD1-CB 4.29Å; L55-I113 HydrophobicContact CD1-CG1 3.71Å
56A90.8Very high93.6Very high89 Ų8950.1 Ų50.174%0.73625%0.249SC*.THydrogen-bonded Turntrans-78.7-4.2171.700000113.3T54T54-A56 PolarHBondContact O-N 3.48Å; T54-A56 PolarHBondContact OG1-N 3.31Å
57G92.5Very high92.5Very high56 Ų5651.9 Ų51.958%0.57726%0.264SS*.SBendtrans89.24.6177.800000114.9T54 L55T54-G57 PolarHBondContact O-N 3.11Å; T54-G57 PolarHBondContact OG1-N 2.9Å; L55-G57 PolarHBondContact O-N 2.74Å
58E95.5Very high90.9Very high113 Ų11350.5 Ų50.553%0.52828%0.276SS..  trans-72.8143.9173.8-58.4177.1124.600110.3V53 T54 L93V53-E58 CarbonylContact C-O 3.49Å; V53-E58 VanDerWaalsContact CA-O 3.29Å; V53-E58 WeakPolarHBondContact CA-O 3.48Å; T54-E58 HydrophobicContact CG2-CB 4.06Å; T54-E58 PolarHBondContact N-O 3.14Å; T54-E58 WeakPolarHBondContact OG1-CB 3.5Å; T54-E58 PolarHBondContact OG1-N 2.97Å; T54-E58 VanDerWaalsContact OG1-N 3.12Å; E58-L93 HydrophobicContact CB-CD1 3.77Å
59R96.8Very high88.5Confident130 Ų13054.6 Ų54.649%0.49131%0.312SS..EExtended strand (participates in β ladder)trans-130.1137.2-174.1-179.7179.3-70.1-97-3.4111.3E39 D51 V52 V53E39-R59 IonicContact OE2-CZ 3.49Å; E39-R59 IonicContact OE2-NH1 2.99Å; E39-R59 PolarHBondContact OE2-NH1 3.28Å; E39-R59 IonicContact OE2-NH2 2.86Å; E39-R59 PolarHBondContact OE2-NH2 2.91Å; D51-R59 HydrophobicContact CB-CG 4.02Å; D51-R59 WeakPolarHBondContact OD2-CD 3.36Å; D51-R59 IonicContact OD2-CZ 3.57Å; D51-R59 IonicContact OD2-NH1 3.29Å; D51-R59 PolarHBondContact OD2-NH1 3.16Å; V52-R59 WeakPolarHBondContact O-CA 3.34Å; V53-R59 HydrophobicContact CG2-CG 4.34Å
60G95.2Very high86.3Confident12 Ų1256.8 Ų56.812%0.12433%0.334CS..EExtended strand (participates in β ladder)trans-141.4155.1175.400000111.4D51 V52 L62 L93D51-G60 CarbonylContact C-O 3.48Å; D51-G60 VanDerWaalsContact CA-O 3.27Å; D51-G60 WeakPolarHBondContact CA-O 3.49Å; D51-G60 WeakPolarHBondContact CB-O 3.29Å; V52-G60 PolarHBondContact N-O 3.22Å; V52-G60 PolarHBondContact O-N 3.26Å; G60-L62 PolarHBondContact O-N 3.32Å; G60-L93 VanDerWaalsContact N-CD2 3.32Å
61H94.7Very high83.9Confident88 Ų8860.1 Ų60.141%0.40736%0.357SS..EExtended strand (participates in β ladder)trans-73.5129177.4-60.2-29000110.3D51 R64 S89D51-H61 IonicContact OD1-CE1 3.68Å; D51-H61 IonicContact OD1-CG 2.78Å; D51-H61 IonicContact OD1-ND1 3.97Å; D51-H61 PolarHBondContact OD1-ND1 3.02Å; H61-R64 PolarHBondContact CE1-NH2 2.82Å; H61-R64 VanDerWaalsContact ND1-CZ 3.29Å; H61-R64 PolarHBondContact ND1-NH2 2.93Å; H61-S89 PolarHBondContact N-OG 3.4Å; H61-S89 VanDerWaalsContact O-CB 3.24Å; H61-S89 WeakPolarHBondContact O-CB 3.49Å; H61-S89 PolarHBondContact O-OG 3.45Å
62L95.7Very high81.8Confident0 Ų062.2 Ų62.20%037%0.372CS..EExtended strand (participates in β ladder)trans-91.4-48.3166.9177.159.5000110.2T38 F50 V52 G60 V85 D86 F90 M120 E121T38-L62 HydrophobicContact CG2-CD2 3.75Å; F50-L62 HydrophobicContact CB-CB 4.24Å; F50-L62 HydrophobicContact CB-CD2 4.19Å; F50-L62 WeakPolarHBondContact O-CB 3.23Å; F50-L62 PolarHBondContact O-N 2.98Å; V52-L62 HydrophobicContact CG2-CB 3.87Å; V52-L62 HydrophobicContact CG2-CD1 4.3Å; V52-L62 HydrophobicContact CG2-CD2 4.33Å; V52-L62 HydrophobicContact CG2-CG 4.38Å; G60-L62 PolarHBondContact O-N 3.32Å; L62-V85 HydrophobicContact CD1-CG1 4.35Å; L62-V85 CarbonylContact O-C 3.55Å; L62-V85 WeakPolarHBondContact O-CA 3.31Å; L62-V85 WeakPolarHBondContact O-CG1 3.43Å; L62-D86 PolarHBondContact O-N 2.97Å; L62-F90 HydrophobicContact CD1-CB 3.98Å; L62-F90 HydrophobicContact CD1-CD2 3.85Å; L62-F90 HydrophobicContact CD1-CE2 4.48Å; L62-F90 HydrophobicContact CD1-CG 3.88Å; L62-M120 HydrophobicContact CD1-CB 4.4Å; L62-M120 HydrophobicContact CD2-CB 4.21Å; L62-M120 HydrophobicContact CD2-SD 4.22Å; L62-M120 HydrophobicContact CG-CB 4.37Å; L62-E121 HydrophobicContact CD1-CG 4.46Å; L62-E121 VanDerWaalsContact CD2-OE1 3.32Å; L62-E121 WeakPolarHBondContact CD2-OE1 3.35Å
63S95Very high79.4Confident1 Ų170.1 Ų70.11%0.00741%0.409CS..EExtended strand (participates in β ladder)trans-156.9157.9177.564.10000112.7G49 F50 V84 M120G49-S63 CarbonylContact C-O 3.59Å; G49-S63 WeakPolarHBondContact CA-O 3.32Å; F50-S63 VanDerWaalsContact CD2-OG 3.32Å; F50-S63 WeakPolarHBondContact CD2-OG 3.48Å; F50-S63 PolarHBondContact N-O 3.09Å; F50-S63 PolarHBondContact O-N 3.32Å; S63-V84 WeakPolarHBondContact CA-O 3.33Å; S63-V84 WeakPolarHBondContact CB-O 3.24Å; S63-M120 PolarHBondContact OG-SD 3.28Å
64R94.5Very high77.4Confident62 Ų6273.8 Ų73.823%0.23445%0.448CS..EExtended strand (participates in β ladder)trans-138.1156.8176.3-69.8-63.9-176.9-9212.8110.8V48 F50 D51 H61 Y83 V84V48-R64 CarbonylContact O-C 3.55Å; V48-R64 WeakPolarHBondContact O-CA 3.39Å; F50-R64 PolarHBondContact O-NH1 3.11Å; D51-R64 IonicContact OD1-CZ 3.71Å; D51-R64 IonicContact OD1-NH1 2.7Å; D51-R64 PolarHBondContact OD1-NH1 2.93Å; D51-R64 IonicContact OD1-NH2 3.66Å; D51-R64 PolarHBondContact OD1-NH2 2.73Å; D51-R64 IonicContact OD2-NH2 2.82Å; D51-R64 PolarHBondContact OD2-NH2 3.27Å; H61-R64 PolarHBondContact CE1-NH2 2.82Å; H61-R64 VanDerWaalsContact ND1-CZ 3.29Å; H61-R64 PolarHBondContact ND1-NH2 2.93Å; R64-Y83 CarbonylContact O-C 3.54Å; R64-Y83 WeakPolarHBondContact O-CA 3.24Å; R64-V84 PolarHBondContact N-O 3.35Å; R64-V84 VanDerWaalsContact N-O 3.08Å; R64-V84 PolarHBondContact O-N 2.96Å
65I91.3Very high75.7Confident39 Ų3984.2 Ų84.220%0.249%0.487CS..EExtended strand (participates in β ladder)trans-59.4139.7167.2-68.3176.8000108.1R47 V48 E67 Q82 Y83R47-I65 WeakPolarHBondContact O-CD1 3.47Å; V48-I65 WeakPolarHBondContact O-CG1 3.19Å; V48-I65 PolarHBondContact O-N 3.49Å; I65-E67 PolarHBondContact O-N 2.86Å; I65-E67 VanDerWaalsContact O-N 3.07Å; I65-Q82 HydrophobicContact CG1-CG 4.16Å; I65-Y83 HydrophobicContact CG1-CD1 4.09Å; I65-Y83 HydrophobicContact CG1-CE1 3.88Å
66R80.4Confident74.6Confident103 Ų10391.3 Ų91.339%0.38951%0.51SS..  trans-58.3113.3171.9-174.2179.8-174.1139.87.8110.1G68 G70 E77 Q82 V84R66-G68 PolarHBondContact O-N 2.95Å; R66-G70 PolarHBondContact NH2-O 2.86Å; R66-E77 IonicContact CZ-OE2 3.23Å; R66-E77 IonicContact NH1-OE2 3.31Å; R66-E77 PolarHBondContact NH1-OE2 2.94Å; R66-E77 IonicContact NH2-OE2 2.66Å; R66-Q82 PolarHBondContact N-O 3.12Å; R66-V84 HydrophobicContact CB-CG2 3.98Å; R66-V84 HydrophobicContact CG-CG2 4.44Å
67E66.9Low74.2Confident190 Ų19090.3 Ų90.389%0.88849%0.49SS*.  trans-81.6111.8170.5-64-159161.600109.9I65I65-E67 PolarHBondContact O-N 2.86Å; I65-E67 VanDerWaalsContact O-N 3.07Å
68G58.2Low74Confident56 Ų5691.2 Ų91.258%0.57748%0.476SS*.SBendtrans77.2158.7170.800000116.7R66 G70R66-G68 PolarHBondContact O-N 2.95Å; G68-G70 PolarHBondContact O-N 2.75Å
69A44.1Very low73.8Confident107 Ų10789.9 Ų89.988%0.88447%0.471SS*.SBendtrans-76.150.6170.300000110.9
70G48.9Very low73.4Confident46 Ų4685.2 Ų85.247%0.47446%0.457SS..  trans-81.1115170.500000108.9R66 G68 S72R66-G70 PolarHBondContact NH2-O 2.86Å; G68-G70 PolarHBondContact O-N 2.75Å; G70-S72 PolarHBondContact O-N 3.12Å; G70-S72 VanDerWaalsContact O-N 3.11Å
71T45.9Very low73.1Confident96 Ų9688.1 Ų88.159%0.58949%0.487SS*.  trans-63.7104.4170.541.40000109.2H73T71-H73 VanDerWaalsContact CB-NE2 3.28Å; T71-H73 WeakPolarHBondContact CB-NE2 3.48Å; T71-H73 PolarHBondContact O-CD2 2.93Å; T71-H73 PolarHBondContact O-N 3.48Å; T71-H73 PolarHBondContact OG1-CD2 3.45Å; T71-H73 VanDerWaalsContact OG1-CD2 3.25Å; T71-H73 PolarHBondContact OG1-NE2 3.2Å
72S51.9Low72.9Confident51 Ų5187.9 Ų87.936%0.35749%0.486SS..  trans-71.279164.2380000108.2G70 G74 E77G70-S72 PolarHBondContact O-N 3.12Å; G70-S72 VanDerWaalsContact O-N 3.11Å; S72-G74 PolarHBondContact O-N 3.33Å; S72-E77 WeakPolarHBondContact CB-OE1 3.38Å; S72-E77 PolarHBondContact OG-OE1 3.36Å; S72-E77 PolarHBondContact OG-OE2 2.74Å
73H45.4Very low72.7Confident167 Ų16788.8 Ų88.877%0.77349%0.489SS*.  trans-60.996.7172.7-66.2-70.4000109.1T71T71-H73 VanDerWaalsContact CB-NE2 3.28Å; T71-H73 WeakPolarHBondContact CB-NE2 3.48Å; T71-H73 PolarHBondContact O-CD2 2.93Å; T71-H73 PolarHBondContact O-N 3.48Å; T71-H73 PolarHBondContact OG1-CD2 3.45Å; T71-H73 VanDerWaalsContact OG1-CD2 3.25Å; T71-H73 PolarHBondContact OG1-NE2 3.2Å
74G53.6Low72.7Confident82 Ų8290.4 Ų90.485%0.84550%0.5SS*.SBendtrans105-5.2158.800000118.4S72S72-G74 PolarHBondContact O-N 3.33Å
75R59.7Low72.7Confident220 Ų22088 Ų8883%0.8349%0.491SS*.  trans-102.5131.5172.9-79.4-176.1177.9174.90111.1E77R75-E77 PolarHBondContact O-N 2.78Å
76R69.3Low72.9Confident210 Ų21089.3 Ų89.379%0.79250%0.499SS*.  trans-65103.7173.4-174.7178.1-175175.62108.6
77E81.7Confident73.5Confident67 Ų6785.1 Ų85.131%0.31348%0.484SS..  trans-73.8128173.7-68.6-179.4156.700109.9R66 S72 R75 M79R66-E77 IonicContact CZ-OE2 3.23Å; R66-E77 IonicContact NH1-OE2 3.31Å; R66-E77 PolarHBondContact NH1-OE2 2.94Å; R66-E77 IonicContact NH2-OE2 2.66Å; S72-E77 WeakPolarHBondContact CB-OE1 3.38Å; S72-E77 PolarHBondContact OG-OE1 3.36Å; S72-E77 PolarHBondContact OG-OE2 2.74Å; R75-E77 PolarHBondContact O-N 2.78Å; E77-M79 HydrophobicContact CB-CG 4.1Å
78Y89.3Confident74.8Confident75 Ų7580.5 Ų80.529%0.29447%0.471SS..  trans-86.8115169.6-65.3-71.4000108.3V85 L87 F123Y78-V85 PolarHBondContact O-N 3.15Å; Y78-L87 HydrophobicContact CD2-CD1 3.38Å; Y78-L87 HydrophobicContact CD2-CG 3.87Å; Y78-L87 HydrophobicContact CE2-CD1 3.27Å; Y78-L87 HydrophobicContact CE2-CG 4.24Å; Y78-L87 HydrophobicContact CG-CD1 4.1Å; Y78-L87 HydrophobicContact CG-CG 4.49Å; Y78-F123 HydrophobicContact CD1-CB 3.67Å; Y78-F123 AromaticContact CD1-CD1 3.24Å; Y78-F123 HydrophobicContact CD1-CD1 3.24Å; Y78-F123 HydrophobicContact CD1-CD2 4.24Å; Y78-F123 AromaticContact CD1-CE1 3.81Å; Y78-F123 HydrophobicContact CD1-CE1 3.81Å; Y78-F123 AromaticContact CD1-CG 3.48Å; Y78-F123 HydrophobicContact CD1-CG 3.48Å; Y78-F123 VanDerWaalsContact CD1-CG 3.48Å; Y78-F123 HydrophobicContact CD1-CZ 4.48Å; Y78-F123 HydrophobicContact CE1-CB 4.13Å; Y78-F123 AromaticContact CE1-CD1 3.89Å; Y78-F123 HydrophobicContact CE1-CD1 3.89Å; Y78-F123 HydrophobicContact CE1-CG 4.27Å; Y78-F123 HydrophobicContact CG-CB 3.87Å; Y78-F123 HydrophobicContact CG-CD1 4.06Å; Y78-F123 HydrophobicContact CG-CD2 4.26Å; Y78-F123 AromaticContact CG-CG 3.84Å; Y78-F123 HydrophobicContact CG-CG 3.84Å
79M90.8Very high76.6Confident86 Ų8678.9 Ų78.942%0.42445%0.451SS..EExtended strand (participates in β ladder)trans-127.2144.2-175-62-163-54.900113E77 Y83 V84E77-M79 HydrophobicContact CB-CG 4.1Å; M79-Y83 VanDerWaalsContact CA-O 3.31Å; M79-Y83 WeakPolarHBondContact CA-O 3.31Å; M79-V84 HydrophobicContact CG-CG2 4.25Å; M79-V84 HydrophobicContact SD-CG2 4.23Å
80V88.9Confident79Confident31 Ų3173.8 Ų73.819%0.18841%0.409CS..EExtended strand (participates in β ladder)trans-128.8103.5168-175.10000108.6Q82 Y83 K119 M120 F123V80-Q82 PolarHBondContact O-N 2.97Å; V80-Y83 PolarHBondContact N-O 3.35Å; V80-Y83 WeakPolarHBondContact O-CD2 3.31Å; V80-Y83 PolarHBondContact O-N 3.21Å; V80-Y83 VanDerWaalsContact O-N 3.15Å; V80-K119 HydrophobicContact CG1-CD 4.07Å; V80-K119 HydrophobicContact CG2-CB 4.48Å; V80-K119 HydrophobicContact CG2-CD 4.09Å; V80-K119 HydrophobicContact CG2-CG 3.96Å; V80-M120 HydrophobicContact CB-CE 3.88Å; V80-M120 HydrophobicContact CB-CG 4.2Å; V80-M120 HydrophobicContact CG1-CE 4.27Å; V80-M120 HydrophobicContact CG2-CE 4.4Å; V80-M120 HydrophobicContact CG2-CG 3.67Å; V80-F123 HydrophobicContact CG2-CE2 3.69Å; V80-F123 HydrophobicContact CG2-CZ 4.29Å
81G89.3Confident81.3Confident74 Ų7474.5 Ų74.576%0.76340%0.399SS*.THydrogen-bonded Turntrans62.4-122.4-172.900000110.6
82Q89.9Confident83.6Confident82 Ų8274 Ų7438%0.38340%0.4SS..THydrogen-bonded Turntrans-86.9-4.3178.468.2179.914.600114.4I65 R66 V80I65-Q82 HydrophobicContact CG1-CG 4.16Å; R66-Q82 PolarHBondContact N-O 3.12Å; V80-Q82 PolarHBondContact O-N 2.97Å
83Y92.6Very high85.7Confident19 Ų1972.7 Ų72.78%0.07539%0.389CS..EExtended strand (participates in β ladder)trans-97.2125.9-173-53.6-79.3000110.7R47 F50 R64 I65 M79 V80 M120R47-Y83 PolarHBondContact NE-OH 3.13Å; R47-Y83 PolarHBondContact NH2-OH 2.89Å; F50-Y83 HydrophobicContact CD2-CD1 4.37Å; F50-Y83 HydrophobicContact CE2-CD1 4.15Å; F50-Y83 HydrophobicContact CE2-CD2 4.08Å; F50-Y83 HydrophobicContact CE2-CE1 4.05Å; F50-Y83 HydrophobicContact CE2-CE2 4.02Å; F50-Y83 HydrophobicContact CE2-CG 4.18Å; F50-Y83 AromaticContact CE2-CZ 3.99Å; R64-Y83 CarbonylContact O-C 3.54Å; R64-Y83 WeakPolarHBondContact O-CA 3.24Å; I65-Y83 HydrophobicContact CG1-CD1 4.09Å; I65-Y83 HydrophobicContact CG1-CE1 3.88Å; M79-Y83 VanDerWaalsContact CA-O 3.31Å; M79-Y83 WeakPolarHBondContact CA-O 3.31Å; V80-Y83 PolarHBondContact N-O 3.35Å; V80-Y83 WeakPolarHBondContact O-CD2 3.31Å; V80-Y83 PolarHBondContact O-N 3.21Å; V80-Y83 VanDerWaalsContact O-N 3.15Å; Y83-M120 HydrophobicContact CD2-CE 3.97Å; Y83-M120 HydrophobicContact CG-CE 4.08Å
84V93.9Very high88Confident36 Ų3664.8 Ų64.822%0.21835%0.352CS..EExtended strand (participates in β ladder)trans-90.4125.7170.8-175.40000107.9S63 R64 R66 M79S63-V84 WeakPolarHBondContact CA-O 3.33Å; S63-V84 WeakPolarHBondContact CB-O 3.24Å; R64-V84 PolarHBondContact N-O 3.35Å; R64-V84 VanDerWaalsContact N-O 3.08Å; R64-V84 PolarHBondContact O-N 2.96Å; R66-V84 HydrophobicContact CB-CG2 3.98Å; R66-V84 HydrophobicContact CG-CG2 4.44Å; M79-V84 HydrophobicContact CG-CG2 4.25Å; M79-V84 HydrophobicContact SD-CG2 4.23Å
85V94.6Very high90Very high10 Ų1062.4 Ų62.46%0.06132%0.32CS..EExtended strand (participates in β ladder)trans-85.8125.9-178.2-179.10000109.7L62 Y78 L87 M120 F123L62-V85 HydrophobicContact CD1-CG1 4.35Å; L62-V85 CarbonylContact O-C 3.55Å; L62-V85 WeakPolarHBondContact O-CA 3.31Å; L62-V85 WeakPolarHBondContact O-CG1 3.43Å; Y78-V85 PolarHBondContact O-N 3.15Å; V85-L87 HydrophobicContact CG1-CD2 3.84Å; V85-L87 HydrophobicContact CG1-CG 4.24Å; V85-L87 PolarHBondContact O-N 3.4Å; V85-M120 HydrophobicContact CG2-CB 4.03Å; V85-M120 HydrophobicContact CG2-CG 3.97Å; V85-F123 HydrophobicContact CB-CD2 4.37Å; V85-F123 HydrophobicContact CG2-CD2 3.98Å; V85-F123 HydrophobicContact CG2-CE2 4.1Å
86D94.6Very high91.6Very high67 Ų6754.2 Ų54.236%0.35830%0.296SS..  trans-91.883.9173.6-169.5-21.8000109.2L62 P88 S89 F90L62-D86 PolarHBondContact O-N 2.97Å; D86-P88 VanDerWaalsContact OD1-CD 3.3Å; D86-P88 WeakPolarHBondContact OD1-CD 3.28Å; D86-S89 PolarHBondContact O-N 3.4Å; D86-S89 WeakPolarHBondContact OD1-CB 3.22Å; D86-S89 PolarHBondContact OD1-N 3.44Å; D86-S89 WeakPolarHBondContact OD2-CB 3.45Å; D86-F90 WeakPolarHBondContact O-CB 3.33Å; D86-F90 PolarHBondContact O-N 3.48Å
87L93.8Very high92.7Very high15 Ų1545 Ų458%0.07926%0.262CS..Hα-helixtrans-60.1-46179.2-76.2-170.6000113.3Y78 V85 S89 F90 E91 F123Y78-L87 HydrophobicContact CD2-CD1 3.38Å; Y78-L87 HydrophobicContact CD2-CG 3.87Å; Y78-L87 HydrophobicContact CE2-CD1 3.27Å; Y78-L87 HydrophobicContact CE2-CG 4.24Å; Y78-L87 HydrophobicContact CG-CD1 4.1Å; Y78-L87 HydrophobicContact CG-CG 4.49Å; V85-L87 HydrophobicContact CG1-CD2 3.84Å; V85-L87 HydrophobicContact CG1-CG 4.24Å; V85-L87 PolarHBondContact O-N 3.4Å; L87-S89 VanDerWaalsContact C-N 3.33Å; L87-S89 PolarHBondContact O-N 3.29Å; L87-F90 PolarHBondContact O-N 2.8Å; L87-E91 VanDerWaalsContact O-CB 3.31Å; L87-E91 WeakPolarHBondContact O-CB 3.47Å; L87-E91 VanDerWaalsContact O-CG 3.31Å; L87-E91 WeakPolarHBondContact O-CG 3.35Å; L87-E91 PolarHBondContact O-N 2.86Å; L87-F123 HydrophobicContact CD1-CB 3.99Å; L87-F123 HydrophobicContact CD2-CB 3.87Å; L87-F123 HydrophobicContact CG-CB 4.28Å
88P94.5Very high93.1Very high93 Ų9342.9 Ų42.960%0.60425%0.252SS*.Hα-helixtrans-56.2-45.5177.2-27.635.8000113.2D86 E91 S92D86-P88 VanDerWaalsContact OD1-CD 3.3Å; D86-P88 WeakPolarHBondContact OD1-CD 3.28Å; P88-E91 PolarHBondContact O-N 3.28Å; P88-S92 VanDerWaalsContact O-CB 3.32Å; P88-S92 WeakPolarHBondContact O-CB 3.44Å; P88-S92 PolarHBondContact O-N 3.27Å; P88-S92 PolarHBondContact O-OG 3.05Å
89S95.1Very high92.5Very high23 Ų2349.1 Ų49.116%0.16128%0.275CS..Hα-helixtrans-60.6-50.9176.6169.80000111H61 D86 L87 E91 S92 L93H61-S89 PolarHBondContact N-OG 3.4Å; H61-S89 VanDerWaalsContact O-CB 3.24Å; H61-S89 WeakPolarHBondContact O-CB 3.49Å; H61-S89 PolarHBondContact O-OG 3.45Å; D86-S89 PolarHBondContact O-N 3.4Å; D86-S89 WeakPolarHBondContact OD1-CB 3.22Å; D86-S89 PolarHBondContact OD1-N 3.44Å; D86-S89 WeakPolarHBondContact OD2-CB 3.45Å; L87-S89 VanDerWaalsContact C-N 3.33Å; L87-S89 PolarHBondContact O-N 3.29Å; S89-E91 PolarHBondContact O-N 3.03Å; S89-S92 PolarHBondContact O-N 2.97Å; S89-S92 PolarHBondContact O-OG 2.89Å; S89-L93 PolarHBondContact O-N 2.85Å
90F96.1Very high91.2Very high0 Ų050 Ų500%028%0.278CS..Hα-helixtrans-57-50177171-116.7000112.7F36 V52 L62 D86 L87 S92 L93 A94 E121 F127F36-F90 HydrophobicContact CE2-CE2 4.06Å; F36-F90 HydrophobicContact CZ-CE2 4.07Å; F36-F90 HydrophobicContact CZ-CZ 4.29Å; V52-F90 HydrophobicContact CB-CD2 4.48Å; V52-F90 HydrophobicContact CG2-CD2 3.52Å; V52-F90 HydrophobicContact CG2-CE2 3.9Å; L62-F90 HydrophobicContact CD1-CB 3.98Å; L62-F90 HydrophobicContact CD1-CD2 3.85Å; L62-F90 HydrophobicContact CD1-CE2 4.48Å; L62-F90 HydrophobicContact CD1-CG 3.88Å; D86-F90 WeakPolarHBondContact O-CB 3.33Å; D86-F90 PolarHBondContact O-N 3.48Å; L87-F90 PolarHBondContact O-N 2.8Å; F90-S92 VanDerWaalsContact C-N 3.35Å; F90-S92 PolarHBondContact O-N 3.39Å; F90-L93 PolarHBondContact O-N 2.9Å; F90-A94 HydrophobicContact CD2-CB 3.91Å; F90-A94 HydrophobicContact CE2-CB 3.5Å; F90-A94 HydrophobicContact CZ-CB 3.89Å; F90-A94 VanDerWaalsContact O-CB 3.31Å; F90-A94 WeakPolarHBondContact O-CB 3.37Å; F90-A94 PolarHBondContact O-N 3.3Å; F90-E121 HydrophobicContact CE1-CB 4.13Å; F90-E121 HydrophobicContact CE1-CG 4.48Å; F90-E121 HydrophobicContact CE2-CG 4.1Å; F90-E121 HydrophobicContact CZ-CB 3.85Å; F90-E121 HydrophobicContact CZ-CG 3.85Å; F90-F127 HydrophobicContact CE1-CB 3.85Å; F90-F127 HydrophobicContact CE1-CD1 4.25Å; F90-F127 AromaticContact CE1-CD2 3.93Å; F90-F127 HydrophobicContact CE1-CD2 3.93Å; F90-F127 AromaticContact CE1-CG 3.74Å; F90-F127 HydrophobicContact CE1-CG 3.74Å; F90-F127 HydrophobicContact CZ-CB 4.39Å; F90-F127 HydrophobicContact CZ-CD1 4.2Å; F90-F127 AromaticContact CZ-CD2 3.59Å; F90-F127 HydrophobicContact CZ-CD2 3.59Å; F90-F127 HydrophobicContact CZ-CE1 4.39Å; F90-F127 AromaticContact CZ-CE2 3.8Å; F90-F127 HydrophobicContact CZ-CE2 3.8Å; F90-F127 AromaticContact CZ-CG 3.8Å; F90-F127 HydrophobicContact CZ-CG 3.8Å; F90-F127 HydrophobicContact CZ-CZ 4.2Å
91E95.8Very high89.8Confident60 Ų6049.1 Ų49.128%0.2827%0.272SS..Hα-helixtrans-64.4-39.3-176.8-75.1-175.7172.400112.1L87 P88 S89 L93 L95 S124L87-E91 VanDerWaalsContact O-CB 3.31Å; L87-E91 WeakPolarHBondContact O-CB 3.47Å; L87-E91 VanDerWaalsContact O-CG 3.31Å; L87-E91 WeakPolarHBondContact O-CG 3.35Å; L87-E91 PolarHBondContact O-N 2.86Å; P88-E91 PolarHBondContact O-N 3.28Å; S89-E91 PolarHBondContact O-N 3.03Å; E91-L93 PolarHBondContact O-N 3.47Å; E91-L95 HydrophobicContact CB-CD1 3.68Å; E91-L95 HydrophobicContact CB-CG 4.14Å; E91-L95 HydrophobicContact CG-CD1 3.86Å; E91-L95 HydrophobicContact CG-CG 4.35Å; E91-L95 VanDerWaalsContact O-CB 3.24Å; E91-L95 WeakPolarHBondContact O-CB 3.29Å; E91-L95 WeakPolarHBondContact O-CG 3.33Å; E91-L95 PolarHBondContact O-N 3.29Å; E91-L95 VanDerWaalsContact O-N 3.14Å; E91-S124 WeakPolarHBondContact CG-OG 3.29Å; E91-S124 VanDerWaalsContact OE1-CB 3.22Å; E91-S124 WeakPolarHBondContact OE1-CB 3.49Å; E91-S124 PolarHBondContact OE1-OG 2.54Å
92S95.4Very high88Confident87 Ų8748.6 Ų48.661%0.60827%0.267SS*.Hα-helixtrans-62.1-29.1179.171.70000113.3P88 S89 F90 P96P88-S92 VanDerWaalsContact O-CB 3.32Å; P88-S92 WeakPolarHBondContact O-CB 3.44Å; P88-S92 PolarHBondContact O-N 3.27Å; P88-S92 PolarHBondContact O-OG 3.05Å; S89-S92 PolarHBondContact O-N 2.97Å; S89-S92 PolarHBondContact O-OG 2.89Å; F90-S92 VanDerWaalsContact C-N 3.35Å; F90-S92 PolarHBondContact O-N 3.39Å; S92-P96 WeakPolarHBondContact O-CD 3.37Å; S92-P96 VanDerWaalsContact O-CG 3.31Å; S92-P96 WeakPolarHBondContact O-CG 3.48Å
93L94.8Very high86Confident23 Ų2348.4 Ų48.412%0.1228%0.279CS..Hα-helixtrans-96.9-45.4-178.2-170.764.8000112.6V52 T54 E58 G60 S89 F90 E91V52-L93 HydrophobicContact CB-CD2 4.22Å; V52-L93 HydrophobicContact CG1-CD2 4Å; V52-L93 WeakPolarHBondContact O-CD2 3.42Å; T54-L93 HydrophobicContact CG2-CD1 3.65Å; T54-L93 HydrophobicContact CG2-CD2 4.05Å; T54-L93 HydrophobicContact CG2-CG 3.66Å; E58-L93 HydrophobicContact CB-CD1 3.77Å; G60-L93 VanDerWaalsContact N-CD2 3.32Å; S89-L93 PolarHBondContact O-N 2.85Å; F90-L93 PolarHBondContact O-N 2.9Å; E91-L93 PolarHBondContact O-N 3.47Å
94A94.8Very high83.8Confident0 Ų050.7 Ų50.70%030%0.302CS..Hα-helixtrans-80.7-39-172.700000113.1F36 F90 L97 F98F36-A94 HydrophobicContact CD1-CB 4.16Å; F36-A94 HydrophobicContact CE1-CB 3.88Å; F36-A94 HydrophobicContact CZ-CB 4.21Å; F90-A94 HydrophobicContact CD2-CB 3.91Å; F90-A94 HydrophobicContact CE2-CB 3.5Å; F90-A94 HydrophobicContact CZ-CB 3.89Å; F90-A94 VanDerWaalsContact O-CB 3.31Å; F90-A94 WeakPolarHBondContact O-CB 3.37Å; F90-A94 PolarHBondContact O-N 3.3Å; A94-L97 WeakPolarHBondContact O-CB 3.43Å; A94-L97 PolarHBondContact O-N 3.01Å; A94-F98 WeakPolarHBondContact O-CD2 3.37Å; A94-F98 WeakPolarHBondContact O-CE2 3.37Å
95L94.9Very high81.4Confident32 Ų3257.1 Ų57.117%0.16834%0.335CS..Hα-helixtrans-67.1-37.1-174-62.9178.5000114.7E91 L97 F98 A126 F127 A130E91-L95 HydrophobicContact CB-CD1 3.68Å; E91-L95 HydrophobicContact CB-CG 4.14Å; E91-L95 HydrophobicContact CG-CD1 3.86Å; E91-L95 HydrophobicContact CG-CG 4.35Å; E91-L95 VanDerWaalsContact O-CB 3.24Å; E91-L95 WeakPolarHBondContact O-CB 3.29Å; E91-L95 WeakPolarHBondContact O-CG 3.33Å; E91-L95 PolarHBondContact O-N 3.29Å; E91-L95 VanDerWaalsContact O-N 3.14Å; L95-L97 PolarHBondContact O-N 2.89Å; L95-F98 PolarHBondContact O-N 3.46Å; L95-A126 HydrophobicContact CD1-CB 3.61Å; L95-A126 HydrophobicContact CD2-CB 4.1Å; L95-F127 HydrophobicContact CD2-CB 4.26Å; L95-A130 HydrophobicContact CD2-CB 4.3Å
96P93.9Very high79Confident49 Ų4959.1 Ų59.132%0.31836%0.358SS..Hα-helixtrans-57.3-37176.2-27.937000113.2S92 F98 R99 H100S92-P96 WeakPolarHBondContact O-CD 3.37Å; S92-P96 VanDerWaalsContact O-CG 3.31Å; S92-P96 WeakPolarHBondContact O-CG 3.48Å; P96-F98 PolarHBondContact O-N 3.45Å; P96-R99 WeakPolarHBondContact O-CB 3.41Å; P96-R99 PolarHBondContact O-N 3.42Å; P96-H100 PolarHBondContact O-CD2 2.7Å
97L92Very high77Confident16 Ų1662.8 Ų62.88%0.08438%0.377CS..Hα-helixtrans-58.4-33.3-178.6-57.5172.3000112.8E34 F36 T54 A94 L95 R99 H100 T101 F112E34-L97 HydrophobicContact CG-CD2 4.37Å; F36-L97 HydrophobicContact CB-CD1 4.04Å; F36-L97 HydrophobicContact CD1-CD1 3.85Å; F36-L97 HydrophobicContact CG-CD1 4.4Å; T54-L97 HydrophobicContact CG2-CD1 3.93Å; T54-L97 HydrophobicContact CG2-CD2 4.46Å; A94-L97 WeakPolarHBondContact O-CB 3.43Å; A94-L97 PolarHBondContact O-N 3.01Å; L95-L97 PolarHBondContact O-N 2.89Å; L97-R99 PolarHBondContact O-N 2.86Å; L97-H100 PolarHBondContact O-N 2.99Å; L97-T101 PolarHBondContact O-OG1 3.16Å; L97-T101 VanDerWaalsContact O-OG1 3.06Å; L97-F112 HydrophobicContact CB-CE2 3.89Å; L97-F112 HydrophobicContact CB-CZ 3.76Å; L97-F112 WeakPolarHBondContact O-CE2 3.41Å
98F89.2Confident75.2Confident23 Ų2366.2 Ų66.210%0.10140%0.402CS..Hα-helixtrans-71.6-14.1178-68.7-86.2000114F36 A94 L95 P96 T101 F112 I114 F127 A130 V131 T134F36-F98 HydrophobicContact CE1-CE2 4.14Å; F36-F98 HydrophobicContact CE1-CZ 4.31Å; A94-F98 WeakPolarHBondContact O-CD2 3.37Å; A94-F98 WeakPolarHBondContact O-CE2 3.37Å; L95-F98 PolarHBondContact O-N 3.46Å; P96-F98 PolarHBondContact O-N 3.45Å; F98-T101 WeakPolarHBondContact CA-OG1 3.33Å; F98-T101 PolarHBondContact O-OG1 3.44Å; F98-F112 AromaticContact CD1-CE1 3.77Å; F98-F112 HydrophobicContact CD1-CE1 3.77Å; F98-F112 AromaticContact CD1-CZ 3.96Å; F98-F112 HydrophobicContact CD1-CZ 3.96Å; F98-F112 HydrophobicContact CD2-CZ 4.27Å; F98-F112 HydrophobicContact CE1-CD1 4.26Å; F98-F112 AromaticContact CE1-CE1 3.45Å; F98-F112 HydrophobicContact CE1-CE1 3.45Å; F98-F112 VanDerWaalsContact CE1-CE1 3.45Å; F98-F112 HydrophobicContact CE1-CZ 4.05Å; F98-F112 HydrophobicContact CE2-CE1 4.27Å; F98-F112 HydrophobicContact CE2-CZ 4.32Å; F98-F112 HydrophobicContact CG-CE1 4.34Å; F98-F112 HydrophobicContact CG-CZ 4.1Å; F98-F112 AromaticContact CZ-CE1 3.72Å; F98-F112 HydrophobicContact CZ-CE1 3.72Å; F98-F112 HydrophobicContact CZ-CZ 4.22Å; F98-I114 HydrophobicContact CE1-CD1 3.88Å; F98-I114 HydrophobicContact CZ-CD1 4.03Å; F98-F127 AromaticContact CE2-CD2 3.8Å; F98-F127 HydrophobicContact CE2-CD2 3.8Å; F98-F127 AromaticContact CE2-CE2 3.68Å; F98-F127 HydrophobicContact CE2-CE2 3.68Å; F98-F127 AromaticContact CZ-CD2 3.95Å; F98-F127 HydrophobicContact CZ-CD2 3.95Å; F98-F127 AromaticContact CZ-CE2 3.5Å; F98-F127 HydrophobicContact CZ-CE2 3.5Å; F98-F127 HydrophobicContact CZ-CZ 4.43Å; F98-A130 HydrophobicContact CB-CB 4.04Å; F98-A130 HydrophobicContact CD1-CB 3.93Å; F98-A130 HydrophobicContact CD2-CB 3.94Å; F98-A130 HydrophobicContact CE1-CB 4.32Å; F98-A130 HydrophobicContact CE2-CB 4.36Å; F98-A130 HydrophobicContact CG-CB 3.7Å; F98-V131 HydrophobicContact CE1-CG2 3.98Å; F98-V131 HydrophobicContact CZ-CG2 3.84Å; F98-T134 VanDerWaalsContact CD1-OG1 3.29Å; F98-T134 WeakPolarHBondContact CD1-OG1 3.47Å
99R77.8Confident74Confident206 Ų20667 Ų6778%0.77739%0.393SS*.Hα-helixtrans-89.1-26178.8-60.7-179.6179.5170.50.6112.2P96 L97 T101P96-R99 WeakPolarHBondContact O-CB 3.41Å; P96-R99 PolarHBondContact O-N 3.42Å; L97-R99 PolarHBondContact O-N 2.86Å; R99-T101 VanDerWaalsContact C-N 3.3Å
100H62.8Low73.7Confident105 Ų10567.3 Ų67.349%0.48639%0.394SS..Hα-helixtrans-80.9-14.4-177.9-65.4-64000113E34 P96 L97 G102 A103E34-H100 WeakPolarHBondContact OE1-CB 3.43Å; E34-H100 IonicContact OE1-CG 3.38Å; P96-H100 PolarHBondContact O-CD2 2.7Å; L97-H100 PolarHBondContact O-N 2.99Å; H100-G102 PolarHBondContact O-N 2.78Å; H100-A103 PolarHBondContact O-N 3.34Å
101T59.9Low73.5Confident11 Ų1167.3 Ų67.37%0.06739%0.394CS..THydrogen-bonded Turntrans-67.17.2-176-200000115.2L97 F98 R99 F112 S139 C140L97-T101 PolarHBondContact O-OG1 3.16Å; L97-T101 VanDerWaalsContact O-OG1 3.06Å; F98-T101 WeakPolarHBondContact CA-OG1 3.33Å; F98-T101 PolarHBondContact O-OG1 3.44Å; R99-T101 VanDerWaalsContact C-N 3.3Å; T101-F112 HydrophobicContact CG2-CB 4.14Å; T101-F112 HydrophobicContact CG2-CD2 3.72Å; T101-F112 HydrophobicContact CG2-CE2 4.46Å; T101-F112 HydrophobicContact CG2-CG 4.14Å; T101-S139 WeakPolarHBondContact O-CB 3.25Å; T101-S139 PolarHBondContact O-OG 3.27Å; T101-C140 HydrophobicContact CG2-CB 3.6Å; T101-C140 WeakPolarHBondContact CG2-SG 3.31Å
102G52Low73.5Confident64 Ų6464.5 Ų64.566%0.6638%0.381SS*.THydrogen-bonded Turntrans-141.98.2176.800000115.1H100H100-G102 PolarHBondContact O-N 2.78Å
103A46.5Very low73.6Confident77 Ų7760.3 Ų60.364%0.63635%0.352SS*.  trans-101.71.2-173.600000114.6H100 D105H100-A103 PolarHBondContact O-N 3.34Å; A103-D105 PolarHBondContact O-N 3.46Å; A103-D105 VanDerWaalsContact O-N 3.17Å
104A47Very low73.7Confident67 Ų6759.2 Ų59.255%0.55435%0.346SS*.  trans-76.4103.4173.600000109.5G106A104-G106 PolarHBondContact O-N 3.16Å; A104-G106 VanDerWaalsContact O-N 3.16Å
105D43.6Very low73.7Confident172 Ų17259.3 Ų59.392%0.9235%0.347SS*.  trans-55.3113.4168.1-118.8-13.5000109.3A103A103-D105 PolarHBondContact O-N 3.46Å; A103-D105 VanDerWaalsContact O-N 3.17Å
106G45.3Very low73.5Confident51 Ų5159.8 Ų59.853%0.52635%0.348SS..SBendtrans92.6109.5169.700000115.6A104 S108A104-G106 PolarHBondContact O-N 3.16Å; A104-G106 VanDerWaalsContact O-N 3.16Å; G106-S108 WeakPolarHBondContact O-CB 3.43Å; G106-S108 PolarHBondContact O-N 3.13Å; G106-S108 PolarHBondContact O-OG 3.02Å; G106-S108 VanDerWaalsContact O-OG 3.11Å
107D51.8Low73.6Confident145 Ų14557.5 Ų57.578%0.77533%0.333SS*.SBendtrans42.84.8150.3-143.725.3000119.7R109D107-R109 PolarHBondContact O-N 3.09Å
108S56.6Low73.6Confident86 Ų8656.9 Ų56.960%0.60133%0.331SS*.  trans-88.899-171.2-70.70000108.3G106 T110G106-S108 WeakPolarHBondContact O-CB 3.43Å; G106-S108 PolarHBondContact O-N 3.13Å; G106-S108 PolarHBondContact O-OG 3.02Å; G106-S108 VanDerWaalsContact O-OG 3.11Å; S108-T110 PolarHBondContact O-N 2.7Å
109R69.8Low73.8Confident111 Ų11161.1 Ų61.142%0.41935%0.349SS..  trans-61.2124.6178.2-53.9174172.5108.43.1109.7D107 L191 S195D107-R109 PolarHBondContact O-N 3.09Å; R109-L191 HydrophobicContact CB-CD2 3.72Å; R109-L191 WeakPolarHBondContact CD-O 3.23Å; R109-L191 PolarHBondContact NE-O 2.9Å; R109-S195 PolarHBondContact NE-OG 3.33Å; R109-S195 PolarHBondContact NH2-OG 3.28Å
110T87.1Confident74.5Confident28 Ų2852.3 Ų52.317%0.17232%0.317CS..EExtended strand (participates in β ladder)trans-112145-179.556.60000112G32 S108 C140 T141G32-T110 CarbonylContact O-C 3.5Å; G32-T110 WeakPolarHBondContact O-CA 3.41Å; S108-T110 PolarHBondContact O-N 2.7Å; T110-C140 WeakPolarHBondContact O-CA 3.23Å; T110-C140 WeakPolarHBondContact O-CB 3.15Å; T110-C140 WeakPolarHBondContact OG1-CB 3.32Å; T110-T141 PolarHBondContact O-N 3.45Å
111V92.9Very high76Confident0 Ų047.7 Ų47.70%030%0.296CS..EExtended strand (participates in β ladder)trans-107.3122.7168.7-179.10000108.8L26 V31 G32 V33 E34 I113 T141 L143 L187 L191L26-V111 HydrophobicContact CD1-CB 4Å; L26-V111 HydrophobicContact CD1-CG1 3.99Å; L26-V111 HydrophobicContact CD1-CG2 3.87Å; L26-V111 HydrophobicContact CD2-CG2 4.37Å; V31-V111 HydrophobicContact CG1-CG2 3.94Å; G32-V111 PolarHBondContact O-N 3.49Å; V33-V111 WeakPolarHBondContact CA-O 3.49Å; V33-V111 HydrophobicContact CG1-CB 4.42Å; E34-V111 PolarHBondContact N-O 2.83Å; E34-V111 VanDerWaalsContact N-O 3.12Å; V111-I113 HydrophobicContact CG1-CD1 3.83Å; V111-T141 CarbonylContact C-O 3.48Å; V111-T141 VanDerWaalsContact CA-O 3.23Å; V111-T141 WeakPolarHBondContact CA-O 3.37Å; V111-L143 HydrophobicContact CG1-CB 3.76Å; V111-L187 HydrophobicContact CG1-CD2 4.37Å; V111-L191 HydrophobicContact CG2-CD1 3.93Å; V111-L191 HydrophobicContact CG2-CD2 3.84Å; V111-L191 HydrophobicContact CG2-CG 4.28Å
112F95.2Very high77.7Confident1 Ų148.2 Ų48.20%0.00430%0.298CS..EExtended strand (participates in β ladder)trans-98.1122.1178.9-164.5-96.5000111E34 L97 F98 T101 I114 C140 T141 I142 L143E34-F112 HydrophobicContact CB-CD2 4.23Å; E34-F112 HydrophobicContact CB-CE2 4.49Å; E34-F112 HydrophobicContact CG-CD2 4.45Å; E34-F112 HydrophobicContact CG-CE2 4.21Å; E34-F112 CarbonylContact O-C 3.48Å; E34-F112 VanDerWaalsContact O-CA 3.3Å; E34-F112 WeakPolarHBondContact O-CA 3.38Å; L97-F112 HydrophobicContact CB-CE2 3.89Å; L97-F112 HydrophobicContact CB-CZ 3.76Å; L97-F112 WeakPolarHBondContact O-CE2 3.41Å; F98-F112 AromaticContact CD1-CE1 3.77Å; F98-F112 HydrophobicContact CD1-CE1 3.77Å; F98-F112 AromaticContact CD1-CZ 3.96Å; F98-F112 HydrophobicContact CD1-CZ 3.96Å; F98-F112 HydrophobicContact CD2-CZ 4.27Å; F98-F112 HydrophobicContact CE1-CD1 4.26Å; F98-F112 AromaticContact CE1-CE1 3.45Å; F98-F112 HydrophobicContact CE1-CE1 3.45Å; F98-F112 VanDerWaalsContact CE1-CE1 3.45Å; F98-F112 HydrophobicContact CE1-CZ 4.05Å; F98-F112 HydrophobicContact CE2-CE1 4.27Å; F98-F112 HydrophobicContact CE2-CZ 4.32Å; F98-F112 HydrophobicContact CG-CE1 4.34Å; F98-F112 HydrophobicContact CG-CZ 4.1Å; F98-F112 AromaticContact CZ-CE1 3.72Å; F98-F112 HydrophobicContact CZ-CE1 3.72Å; F98-F112 HydrophobicContact CZ-CZ 4.22Å; T101-F112 HydrophobicContact CG2-CB 4.14Å; T101-F112 HydrophobicContact CG2-CD2 3.72Å; T101-F112 HydrophobicContact CG2-CE2 4.46Å; T101-F112 HydrophobicContact CG2-CG 4.14Å; F112-I114 HydrophobicContact CD1-CD1 3.84Å; F112-I114 HydrophobicContact CD1-CG1 3.59Å; F112-I114 HydrophobicContact CE1-CD1 3.92Å; F112-I114 HydrophobicContact CE1-CG1 3.67Å; F112-C140 HydrophobicContact CB-CB 4.43Å; F112-T141 PolarHBondContact N-O 2.93Å; F112-I142 HydrophobicContact CB-CG1 4.46Å; F112-I142 CarbonylContact O-C 3.57Å; F112-I142 WeakPolarHBondContact O-CA 3.5Å; F112-L143 PolarHBondContact O-N 3.01Å
113I97Very high79.7Confident0 Ų047.6 Ų47.60%028%0.277CS..EExtended strand (participates in β ladder)trans-95.1127.8-173.4-51.8-55.2000110.9V19 C23 E34 G35 F36 L55 V111 L143V19-I113 HydrophobicContact CG1-CG2 3.49Å; V19-I113 VanDerWaalsContact CG1-CG2 3.49Å; C23-I113 WeakPolarHBondContact SG-CD1 3.49Å; C23-I113 VanDerWaalsContact SG-CG1 3.58Å; E34-I113 PolarHBondContact O-N 2.82Å; G35-I113 WeakPolarHBondContact CA-O 3.48Å; F36-I113 PolarHBondContact N-O 2.82Å; L55-I113 HydrophobicContact CD1-CB 4.29Å; L55-I113 HydrophobicContact CD1-CG1 3.71Å; V111-I113 HydrophobicContact CG1-CD1 3.83Å; I113-L143 WeakPolarHBondContact CA-O 3.45Å; I113-L143 HydrophobicContact CD1-CB 3.74Å; I113-L143 HydrophobicContact CD1-CD2 3.91Å; I113-L143 HydrophobicContact CD1-CG 4.19Å
114I97.1Very high82Confident0 Ų044 Ų440%025%0.247CC..EExtended strand (participates in β ladder)trans-135.488.3176-46.4179.4000110.4F36 F98 F112 I117 F127 V131 I142 L143 G144 T145F36-I114 HydrophobicContact CE1-CG2 4.3Å; F36-I114 HydrophobicContact CZ-CG2 3.88Å; F98-I114 HydrophobicContact CE1-CD1 3.88Å; F98-I114 HydrophobicContact CZ-CD1 4.03Å; F112-I114 HydrophobicContact CD1-CD1 3.84Å; F112-I114 HydrophobicContact CD1-CG1 3.59Å; F112-I114 HydrophobicContact CE1-CD1 3.92Å; F112-I114 HydrophobicContact CE1-CG1 3.67Å; I114-I117 HydrophobicContact CB-CG1 4.35Å; I114-I117 HydrophobicContact CG2-CD1 4.14Å; I114-I117 HydrophobicContact CG2-CG1 3.5Å; I114-F127 HydrophobicContact CG2-CE2 4.47Å; I114-F127 HydrophobicContact CG2-CZ 3.88Å; I114-V131 HydrophobicContact CD1-CG2 4.21Å; I114-I142 HydrophobicContact CD1-CD1 4.47Å; I114-I142 HydrophobicContact CD1-CG2 3.99Å; I114-I142 HydrophobicContact CG1-CG2 4.21Å; I114-L143 PolarHBondContact N-O 3.16Å; I114-G144 CarbonylContact O-C 3.54Å; I114-G144 WeakPolarHBondContact O-CA 3.32Å; I114-T145 PolarHBondContact O-N 2.88Å
115D95.1Very high84.3Confident2 Ų246 Ų461%0.01125%0.245CC..EExtended strand (participates in β ladder)trans-115.798175.8-177.835.8000110.2T16 F36 Y37 T38 T145T16-D115 WeakPolarHBondContact CA-OD2 3.22Å; T16-D115 WeakPolarHBondContact CB-OD2 3.36Å; T16-D115 WeakPolarHBondContact CG2-OD2 3.48Å; T16-D115 PolarHBondContact OG1-OD2 3.47Å; F36-D115 PolarHBondContact O-N 3.36Å; Y37-D115 CarbonylContact C-O 3.59Å; Y37-D115 VanDerWaalsContact C-O 3.25Å; Y37-D115 WeakPolarHBondContact CA-O 3.24Å; T38-D115 WeakPolarHBondContact CB-O 3.45Å; T38-D115 PolarHBondContact N-O 3.17Å; T38-D115 PolarHBondContact OG1-O 2.92Å; D115-T145 HydrophobicContact CB-CG2 4.08Å; D115-T145 WeakPolarHBondContact OD1-CB 3.27Å; D115-T145 WeakPolarHBondContact OD1-CG2 3.36Å; D115-T145 PolarHBondContact OD1-OG1 3.09Å
116E92Very high86.8Confident42 Ų4239 Ų3920%0.19621%0.211CC..  cis-129.1151.216.4179.9166.8148.700110.7K15 G118 E121 T145 P147K15-E116 WeakPolarHBondContact CE-OE2 3.34Å; K15-E116 IonicContact NZ-OE2 3.18Å; K15-E116 PolarHBondContact NZ-OE2 2.88Å; E116-G118 VanDerWaalsContact C-N 3.29Å; E116-G118 PolarHBondContact O-N 3.42Å; E116-G118 VanDerWaalsContact O-N 3.14Å; E116-E121 WeakPolarHBondContact O-CG 3.25Å; E116-T145 WeakPolarHBondContact CA-OG1 3.3Å; E116-T145 WeakPolarHBondContact CB-OG1 3.49Å; E116-T145 VanDerWaalsContact CG-OG1 3.23Å; E116-T145 WeakPolarHBondContact CG-OG1 3.13Å; E116-P147 WeakPolarHBondContact OE1-CA 3.5Å; E116-P147 WeakPolarHBondContact OE1-CB 3.39Å; E116-P147 VanDerWaalsContact OE1-CD 3.26Å; E116-P147 WeakPolarHBondContact OE1-CD 3.38Å
117I94.9Very high89.3Confident0 Ų036.6 Ų36.60%019%0.186CC..  trans-83.980.9163.9-55.7-179.6000107.7F6 I114 L122 V131 T145 I146 P147 L156 V157F6-I117 HydrophobicContact CE1-CD1 3.56Å; F6-I117 HydrophobicContact CE1-CG1 4.44Å; F6-I117 HydrophobicContact CZ-CD1 4.01Å; I114-I117 HydrophobicContact CB-CG1 4.35Å; I114-I117 HydrophobicContact CG2-CD1 4.14Å; I114-I117 HydrophobicContact CG2-CG1 3.5Å; I117-L122 HydrophobicContact CG2-CD2 4.08Å; I117-L122 HydrophobicContact CG2-CG 4.5Å; I117-V131 HydrophobicContact CD1-CG1 3.82Å; I117-T145 PolarHBondContact N-O 3.46Å; I117-I146 HydrophobicContact CB-CG2 4.04Å; I117-P147 WeakPolarHBondContact O-CD 3.07Å; I117-L156 HydrophobicContact CG2-CD2 3.9Å; I117-L156 HydrophobicContact CG2-CG 4.26Å; I117-V157 HydrophobicContact CG2-CG2 4.33Å; I117-V157 WeakPolarHBondContact O-CG2 3.42Å
118G92.6Very high91.4Very high4 Ų430.4 Ų30.44%0.04115%0.153CC..  trans-114.8-176.7-171.500000114.1E116 M120 E121 L122E116-G118 VanDerWaalsContact C-N 3.29Å; E116-G118 PolarHBondContact O-N 3.42Å; E116-G118 VanDerWaalsContact O-N 3.14Å; G118-M120 PolarHBondContact O-N 3Å; G118-E121 WeakPolarHBondContact CA-OE2 3.22Å; G118-E121 PolarHBondContact N-OE2 3.28Å; G118-E121 VanDerWaalsContact N-OE2 3.09Å; G118-L122 WeakPolarHBondContact O-CB 3.45Å; G118-L122 WeakPolarHBondContact O-CD1 3.41Å; G118-L122 WeakPolarHBondContact O-CG 3.45Å; G118-L122 PolarHBondContact O-N 3.18Å
119K92.3Very high93.3Very high112 Ų11233 Ų3349%0.48715%0.15SC..THydrogen-bonded Turntrans-61.3-30.6-178.1-175.8175.1175.2-177.50112.9V80 L154V80-K119 HydrophobicContact CG1-CD 4.07Å; V80-K119 HydrophobicContact CG2-CB 4.48Å; V80-K119 HydrophobicContact CG2-CD 4.09Å; V80-K119 HydrophobicContact CG2-CG 3.96Å; K119-L154 HydrophobicContact CB-CD1 4.19Å; K119-L154 HydrophobicContact CB-CD2 4.39Å; K119-L154 HydrophobicContact CG-CD2 4.32Å
120M93.6Very high94.5Very high20 Ų2028.3 Ų28.310%0.09913%0.134CC..THydrogen-bonded Turntrans-75-47.3-175.8-69.2179.3172.300110.9F50 L62 S63 V80 Y83 V85 G118 L122 F123F50-M120 HydrophobicContact CD2-CE 3.85Å; F50-M120 HydrophobicContact CD2-SD 4.01Å; F50-M120 HydrophobicContact CE2-CE 3.71Å; F50-M120 HydrophobicContact CE2-SD 4.35Å; F50-M120 HydrophobicContact CG-SD 4.44Å; L62-M120 HydrophobicContact CD1-CB 4.4Å; L62-M120 HydrophobicContact CD2-CB 4.21Å; L62-M120 HydrophobicContact CD2-SD 4.22Å; L62-M120 HydrophobicContact CG-CB 4.37Å; S63-M120 PolarHBondContact OG-SD 3.28Å; V80-M120 HydrophobicContact CB-CE 3.88Å; V80-M120 HydrophobicContact CB-CG 4.2Å; V80-M120 HydrophobicContact CG1-CE 4.27Å; V80-M120 HydrophobicContact CG2-CE 4.4Å; V80-M120 HydrophobicContact CG2-CG 3.67Å; Y83-M120 HydrophobicContact CD2-CE 3.97Å; Y83-M120 HydrophobicContact CG-CE 4.08Å; V85-M120 HydrophobicContact CG2-CB 4.03Å; V85-M120 HydrophobicContact CG2-CG 3.97Å; G118-M120 PolarHBondContact O-N 3Å; M120-L122 VanDerWaalsContact C-N 3.3Å; M120-L122 PolarHBondContact O-N 3.46Å; M120-F123 WeakPolarHBondContact O-CD2 3.09Å; M120-F123 PolarHBondContact O-N 3.36Å
121E93.9Very high94.9Very high9 Ų927 Ų274%0.04213%0.126CC..G310 helixtrans-66.4-34.8-178.6-58.480.4-176.100111L62 F90 E116 G118 F123 S124 F127L62-E121 HydrophobicContact CD1-CG 4.46Å; L62-E121 VanDerWaalsContact CD2-OE1 3.32Å; L62-E121 WeakPolarHBondContact CD2-OE1 3.35Å; F90-E121 HydrophobicContact CE1-CB 4.13Å; F90-E121 HydrophobicContact CE1-CG 4.48Å; F90-E121 HydrophobicContact CE2-CG 4.1Å; F90-E121 HydrophobicContact CZ-CB 3.85Å; F90-E121 HydrophobicContact CZ-CG 3.85Å; E116-E121 WeakPolarHBondContact O-CG 3.25Å; G118-E121 WeakPolarHBondContact CA-OE2 3.22Å; G118-E121 PolarHBondContact N-OE2 3.28Å; G118-E121 VanDerWaalsContact N-OE2 3.09Å; E121-F123 PolarHBondContact O-N 3.03Å; E121-F123 VanDerWaalsContact O-N 3.12Å; E121-S124 WeakPolarHBondContact O-CB 3.41Å; E121-S124 PolarHBondContact O-N 2.7Å; E121-F127 HydrophobicContact CB-CD1 3.92Å; E121-F127 HydrophobicContact CB-CE1 3.66Å; E121-F127 HydrophobicContact CB-CZ 4.34Å
122L95Very high95.1Very high21 Ų2131.3 Ų31.311%0.1114%0.142CC..G310 helixtrans-71.5-0.8179.5-66.9176.5000115I117 G118 M120 S124 I128 L154 L156 V157I117-L122 HydrophobicContact CG2-CD2 4.08Å; I117-L122 HydrophobicContact CG2-CG 4.5Å; G118-L122 WeakPolarHBondContact O-CB 3.45Å; G118-L122 WeakPolarHBondContact O-CD1 3.41Å; G118-L122 WeakPolarHBondContact O-CG 3.45Å; G118-L122 PolarHBondContact O-N 3.18Å; M120-L122 VanDerWaalsContact C-N 3.3Å; M120-L122 PolarHBondContact O-N 3.46Å; L122-S124 VanDerWaalsContact C-N 3.27Å; L122-I128 HydrophobicContact CD2-CD1 4.13Å; L122-I128 HydrophobicContact CD2-CG1 3.62Å; L122-I128 WeakPolarHBondContact O-CD1 3.22Å; L122-L154 HydrophobicContact CD1-CB 3.7Å; L122-L154 HydrophobicContact CD1-CD1 4.03Å; L122-L154 HydrophobicContact CD1-CD2 4.17Å; L122-L154 HydrophobicContact CD1-CG 4.17Å; L122-L156 HydrophobicContact CD2-CB 3.65Å; L122-L156 HydrophobicContact CD2-CD2 3.52Å; L122-L156 HydrophobicContact CD2-CG 4.17Å; L122-V157 HydrophobicContact CD1-CG2 4.1Å
123F94.6Very high95Very high51 Ų5138 Ų3822%0.22417%0.173CC..G310 helixtrans-72.2-25.4164.4-70.4-56.5000112.1Y78 V80 V85 L87 M120 E121 Q125Y78-F123 HydrophobicContact CD1-CB 3.67Å; Y78-F123 AromaticContact CD1-CD1 3.24Å; Y78-F123 HydrophobicContact CD1-CD1 3.24Å; Y78-F123 HydrophobicContact CD1-CD2 4.24Å; Y78-F123 AromaticContact CD1-CE1 3.81Å; Y78-F123 HydrophobicContact CD1-CE1 3.81Å; Y78-F123 AromaticContact CD1-CG 3.48Å; Y78-F123 HydrophobicContact CD1-CG 3.48Å; Y78-F123 VanDerWaalsContact CD1-CG 3.48Å; Y78-F123 HydrophobicContact CD1-CZ 4.48Å; Y78-F123 HydrophobicContact CE1-CB 4.13Å; Y78-F123 AromaticContact CE1-CD1 3.89Å; Y78-F123 HydrophobicContact CE1-CD1 3.89Å; Y78-F123 HydrophobicContact CE1-CG 4.27Å; Y78-F123 HydrophobicContact CG-CB 3.87Å; Y78-F123 HydrophobicContact CG-CD1 4.06Å; Y78-F123 HydrophobicContact CG-CD2 4.26Å; Y78-F123 AromaticContact CG-CG 3.84Å; Y78-F123 HydrophobicContact CG-CG 3.84Å; V80-F123 HydrophobicContact CG2-CE2 3.69Å; V80-F123 HydrophobicContact CG2-CZ 4.29Å; V85-F123 HydrophobicContact CB-CD2 4.37Å; V85-F123 HydrophobicContact CG2-CD2 3.98Å; V85-F123 HydrophobicContact CG2-CE2 4.1Å; L87-F123 HydrophobicContact CD1-CB 3.99Å; L87-F123 HydrophobicContact CD2-CB 3.87Å; L87-F123 HydrophobicContact CG-CB 4.28Å; M120-F123 WeakPolarHBondContact O-CD2 3.09Å; M120-F123 PolarHBondContact O-N 3.36Å; E121-F123 PolarHBondContact O-N 3.03Å; E121-F123 VanDerWaalsContact O-N 3.12Å; F123-Q125 PolarHBondContact O-N 3.01Å
124S95.3Very high94.7Very high1 Ų138.6 Ų38.61%0.00718%0.177CC..  trans-79.7113.3173.8174.40000111.2E91 E121 L122 A126 F127 I128E91-S124 WeakPolarHBondContact CG-OG 3.29Å; E91-S124 VanDerWaalsContact OE1-CB 3.22Å; E91-S124 WeakPolarHBondContact OE1-CB 3.49Å; E91-S124 PolarHBondContact OE1-OG 2.54Å; E121-S124 WeakPolarHBondContact O-CB 3.41Å; E121-S124 PolarHBondContact O-N 2.7Å; L122-S124 VanDerWaalsContact C-N 3.27Å; S124-A126 VanDerWaalsContact C-N 3.29Å; S124-A126 PolarHBondContact OG-N 2.91Å; S124-F127 PolarHBondContact O-N 3Å; S124-F127 WeakPolarHBondContact OG-CB 3.08Å; S124-F127 PolarHBondContact OG-N 3.21Å; S124-I128 WeakPolarHBondContact O-CG1 3.29Å; S124-I128 PolarHBondContact O-N 3.12Å; S124-I128 VanDerWaalsContact O-N 3.16Å
125Q95.4Very high94.5Very high111 Ų11138.8 Ų38.852%0.51918%0.178SC..Hα-helixtrans-70-29172.4-64.1-57.2-53.400112.2F123 R129F123-Q125 PolarHBondContact O-N 3.01Å; Q125-R129 WeakPolarHBondContact O-CG 3.41Å; Q125-R129 PolarHBondContact O-N 2.89Å; Q125-R129 VanDerWaalsContact O-N 3.16Å; Q125-R129 PolarHBondContact O-NH1 3.47Å
126A96.3Very high94.3Very high24 Ų2443.9 Ų43.920%0.19821%0.206CC..Hα-helixtrans-66.2-43.8175.100000110.9L95 S124 R129 A130L95-A126 HydrophobicContact CD1-CB 3.61Å; L95-A126 HydrophobicContact CD2-CB 4.1Å; S124-A126 VanDerWaalsContact C-N 3.29Å; S124-A126 PolarHBondContact OG-N 2.91Å; A126-R129 PolarHBondContact O-N 3.34Å; A126-A130 WeakPolarHBondContact O-CB 3.3Å; A126-A130 PolarHBondContact O-N 3.3Å
127F96.7Very high94Very high0 Ų043.1 Ų43.10%021%0.209CC..Hα-helixtrans-61.3-46.3175.6-180-109.1000111.9F36 F90 L95 F98 I114 E121 S124 R129 A130 V131F36-F127 AromaticContact CE1-CE2 3.93Å; F36-F127 HydrophobicContact CE1-CE2 3.93Å; F36-F127 AromaticContact CZ-CE2 3.56Å; F36-F127 HydrophobicContact CZ-CE2 3.56Å; F36-F127 AromaticContact CZ-CZ 3.88Å; F36-F127 HydrophobicContact CZ-CZ 3.88Å; F90-F127 HydrophobicContact CE1-CB 3.85Å; F90-F127 HydrophobicContact CE1-CD1 4.25Å; F90-F127 AromaticContact CE1-CD2 3.93Å; F90-F127 HydrophobicContact CE1-CD2 3.93Å; F90-F127 AromaticContact CE1-CG 3.74Å; F90-F127 HydrophobicContact CE1-CG 3.74Å; F90-F127 HydrophobicContact CZ-CB 4.39Å; F90-F127 HydrophobicContact CZ-CD1 4.2Å; F90-F127 AromaticContact CZ-CD2 3.59Å; F90-F127 HydrophobicContact CZ-CD2 3.59Å; F90-F127 HydrophobicContact CZ-CE1 4.39Å; F90-F127 AromaticContact CZ-CE2 3.8Å; F90-F127 HydrophobicContact CZ-CE2 3.8Å; F90-F127 AromaticContact CZ-CG 3.8Å; F90-F127 HydrophobicContact CZ-CG 3.8Å; F90-F127 HydrophobicContact CZ-CZ 4.2Å; L95-F127 HydrophobicContact CD2-CB 4.26Å; F98-F127 AromaticContact CE2-CD2 3.8Å; F98-F127 HydrophobicContact CE2-CD2 3.8Å; F98-F127 AromaticContact CE2-CE2 3.68Å; F98-F127 HydrophobicContact CE2-CE2 3.68Å; F98-F127 AromaticContact CZ-CD2 3.95Å; F98-F127 HydrophobicContact CZ-CD2 3.95Å; F98-F127 AromaticContact CZ-CE2 3.5Å; F98-F127 HydrophobicContact CZ-CE2 3.5Å; F98-F127 HydrophobicContact CZ-CZ 4.43Å; I114-F127 HydrophobicContact CG2-CE2 4.47Å; I114-F127 HydrophobicContact CG2-CZ 3.88Å; E121-F127 HydrophobicContact CB-CD1 3.92Å; E121-F127 HydrophobicContact CB-CE1 3.66Å; E121-F127 HydrophobicContact CB-CZ 4.34Å; S124-F127 PolarHBondContact O-N 3Å; S124-F127 WeakPolarHBondContact OG-CB 3.08Å; S124-F127 PolarHBondContact OG-N 3.21Å; F127-R129 VanDerWaalsContact C-N 3.27Å; F127-R129 PolarHBondContact O-N 3.14Å; F127-A130 PolarHBondContact O-N 2.91Å; F127-A130 VanDerWaalsContact O-N 3.14Å; F127-V131 HydrophobicContact CD1-CG2 4.21Å; F127-V131 HydrophobicContact CD2-CG2 4.15Å; F127-V131 HydrophobicContact CE1-CG2 3.8Å; F127-V131 HydrophobicContact CE2-CG2 3.74Å; F127-V131 HydrophobicContact CG-CG2 4.37Å; F127-V131 HydrophobicContact CZ-CG2 3.55Å; F127-V131 WeakPolarHBondContact O-CG2 3.27Å; F127-V131 PolarHBondContact O-N 3.3Å
128I96.6Very high93.3Very high16 Ų1647.5 Ų47.58%0.08224%0.239CC..Hα-helixtrans-55.2-44.7176.3-69164000111.3L122 S124 R132 L156L122-I128 HydrophobicContact CD2-CD1 4.13Å; L122-I128 HydrophobicContact CD2-CG1 3.62Å; L122-I128 WeakPolarHBondContact O-CD1 3.22Å; S124-I128 WeakPolarHBondContact O-CG1 3.29Å; S124-I128 PolarHBondContact O-N 3.12Å; S124-I128 VanDerWaalsContact O-N 3.16Å; I128-R132 WeakPolarHBondContact O-CG 3.42Å; I128-R132 PolarHBondContact O-N 2.9Å; I128-R132 VanDerWaalsContact O-N 3.11Å; I128-L156 HydrophobicContact CB-CD2 4.4Å; I128-L156 HydrophobicContact CG1-CD2 4.19Å; I128-L156 HydrophobicContact CG2-CD2 4.31Å
129R96.2Very high92.6Very high141 Ų14150.3 Ų50.353%0.53226%0.258SS..Hα-helixtrans-65.4-44.3177.9-72.1-172.8-61.5-93.63.3112Q125 A126 F127 R132 Q133Q125-R129 WeakPolarHBondContact O-CG 3.41Å; Q125-R129 PolarHBondContact O-N 2.89Å; Q125-R129 VanDerWaalsContact O-N 3.16Å; Q125-R129 PolarHBondContact O-NH1 3.47Å; A126-R129 PolarHBondContact O-N 3.34Å; F127-R129 VanDerWaalsContact C-N 3.27Å; F127-R129 PolarHBondContact O-N 3.14Å; R129-R132 PolarHBondContact O-N 3.45Å; R129-Q133 WeakPolarHBondContact O-CB 3.44Å; R129-Q133 WeakPolarHBondContact O-CG 3.19Å; R129-Q133 PolarHBondContact O-N 3.2Å
130A95.3Very high92.4Very high11 Ų1145.2 Ų45.29%0.09124%0.237CC..Hα-helixtrans-62.1-45.1-179.900000111.8L95 F98 A126 F127 R132 Q133 T134L95-A130 HydrophobicContact CD2-CB 4.3Å; F98-A130 HydrophobicContact CB-CB 4.04Å; F98-A130 HydrophobicContact CD1-CB 3.93Å; F98-A130 HydrophobicContact CD2-CB 3.94Å; F98-A130 HydrophobicContact CE1-CB 4.32Å; F98-A130 HydrophobicContact CE2-CB 4.36Å; F98-A130 HydrophobicContact CG-CB 3.7Å; A126-A130 WeakPolarHBondContact O-CB 3.3Å; A126-A130 PolarHBondContact O-N 3.3Å; F127-A130 PolarHBondContact O-N 2.91Å; F127-A130 VanDerWaalsContact O-N 3.14Å; A130-R132 PolarHBondContact O-N 3.22Å; A130-Q133 PolarHBondContact O-N 2.81Å; A130-T134 WeakPolarHBondContact O-CB 3.49Å; A130-T134 PolarHBondContact O-N 2.84Å; A130-T134 PolarHBondContact O-OG1 2.96Å
131V95.8Very high92.4Very high0 Ų044.3 Ų44.30%023%0.232CC..Hα-helixtrans-60.3-46.7175.4172.30000111.2F98 I114 I117 F127 Q133 T134 L135 L156F98-V131 HydrophobicContact CE1-CG2 3.98Å; F98-V131 HydrophobicContact CZ-CG2 3.84Å; I114-V131 HydrophobicContact CD1-CG2 4.21Å; I117-V131 HydrophobicContact CD1-CG1 3.82Å; F127-V131 HydrophobicContact CD1-CG2 4.21Å; F127-V131 HydrophobicContact CD2-CG2 4.15Å; F127-V131 HydrophobicContact CE1-CG2 3.8Å; F127-V131 HydrophobicContact CE2-CG2 3.74Å; F127-V131 HydrophobicContact CG-CG2 4.37Å; F127-V131 HydrophobicContact CZ-CG2 3.55Å; F127-V131 WeakPolarHBondContact O-CG2 3.27Å; F127-V131 PolarHBondContact O-N 3.3Å; V131-Q133 PolarHBondContact O-N 2.79Å; V131-T134 PolarHBondContact O-N 3.41Å; V131-L135 HydrophobicContact CG1-CD1 3.74Å; V131-L135 HydrophobicContact CG1-CG 4.33Å; V131-L135 WeakPolarHBondContact O-CG 3.31Å; V131-L135 PolarHBondContact O-N 3.06Å; V131-L156 HydrophobicContact CB-CD2 3.99Å; V131-L156 HydrophobicContact CG1-CD1 4.33Å; V131-L156 HydrophobicContact CG1-CD2 3.86Å; V131-L156 HydrophobicContact CG1-CG 4.44Å; V131-L156 HydrophobicContact CG2-CD2 4.43Å
132R95.6Very high92.5Very high91 Ų9143.9 Ų43.934%0.34323%0.23SC..Hα-helixtrans-60.2-46.9177.9-75.8176.9175.9154.3-2.3112I128 R129 A130 T134 L135 D136 L156 E159I128-R132 WeakPolarHBondContact O-CG 3.42Å; I128-R132 PolarHBondContact O-N 2.9Å; I128-R132 VanDerWaalsContact O-N 3.11Å; R129-R132 PolarHBondContact O-N 3.45Å; A130-R132 PolarHBondContact O-N 3.22Å; R132-T134 PolarHBondContact O-N 2.92Å; R132-L135 PolarHBondContact O-N 3.29Å; R132-D136 WeakPolarHBondContact O-CB 3.39Å; R132-D136 VanDerWaalsContact O-CG 3.29Å; R132-D136 PolarHBondContact O-N 2.91Å; R132-L156 HydrophobicContact CG-CD1 3.69Å; R132-E159 IonicContact CZ-OE1 2.73Å; R132-E159 IonicContact CZ-OE2 3.66Å; R132-E159 VanDerWaalsContact CZ-OE2 3.29Å; R132-E159 IonicContact NE-OE1 3.27Å; R132-E159 IonicContact NE-OE2 3.22Å; R132-E159 PolarHBondContact NE-OE2 3.05Å; R132-E159 VanDerWaalsContact NH2-CD 3.26Å; R132-E159 IonicContact NH2-OE1 3.46Å; R132-E159 PolarHBondContact NH2-OE1 2.75Å; R132-E159 IonicContact NH2-OE2 3.28Å; R132-E159 PolarHBondContact NH2-OE2 3.13Å
133Q93.2Very high92.6Very high141 Ų14142.9 Ų42.966%0.65923%0.225SC*.Hα-helixtrans-59.2-38177-74.2173.7-22.800112.1R129 A130 V131 D136 G137R129-Q133 WeakPolarHBondContact O-CB 3.44Å; R129-Q133 WeakPolarHBondContact O-CG 3.19Å; R129-Q133 PolarHBondContact O-N 3.2Å; A130-Q133 PolarHBondContact O-N 2.81Å; V131-Q133 PolarHBondContact O-N 2.79Å; Q133-D136 PolarHBondContact O-N 3.26Å; Q133-G137 PolarHBondContact O-N 3.37Å
134T92Very high92.8Very high13 Ų1340.4 Ų40.48%0.0821%0.214CC..Hα-helixtrans-72.7-39179.5-50.10000111.9F98 A130 V131 R132 D136 G137 C140 I142F98-T134 VanDerWaalsContact CD1-OG1 3.29Å; F98-T134 WeakPolarHBondContact CD1-OG1 3.47Å; A130-T134 WeakPolarHBondContact O-CB 3.49Å; A130-T134 PolarHBondContact O-N 2.84Å; A130-T134 PolarHBondContact O-OG1 2.96Å; V131-T134 PolarHBondContact O-N 3.41Å; R132-T134 PolarHBondContact O-N 2.92Å; T134-D136 VanDerWaalsContact C-N 3.32Å; T134-G137 PolarHBondContact O-N 3.43Å; T134-C140 VanDerWaalsContact CG2-SG 3.52Å; T134-I142 HydrophobicContact CG2-CD1 3.67Å; T134-I142 HydrophobicContact CG2-CG1 3.92Å
135L92.8Very high92.9Very high4 Ų440.4 Ų40.42%0.02121%0.214CC..Hα-helixtrans-65.8-33.3173.3-72.2163.9000112.6H4 F6 V131 R132 I142 V160 R163 V166H4-L135 HydrophobicContact CB-CD2 4.47Å; H4-L135 PolarHBondContact NE2-O 3.17Å; F6-L135 HydrophobicContact CE2-CD2 3.91Å; F6-L135 HydrophobicContact CZ-CD2 4.15Å; V131-L135 HydrophobicContact CG1-CD1 3.74Å; V131-L135 HydrophobicContact CG1-CG 4.33Å; V131-L135 WeakPolarHBondContact O-CG 3.31Å; V131-L135 PolarHBondContact O-N 3.06Å; R132-L135 PolarHBondContact O-N 3.29Å; L135-I142 HydrophobicContact CB-CD1 4.46Å; L135-I142 HydrophobicContact CD2-CD1 3.55Å; L135-I142 HydrophobicContact CG-CD1 3.68Å; L135-V160 HydrophobicContact CD1-CG2 3.67Å; L135-R163 PolarHBondContact O-NH2 2.76Å; L135-V166 HydrophobicContact CD2-CG2 4.48Å
136D91.3Very high92.9Very high110 Ų11035.1 Ų35.159%0.58819%0.189SC*.Hα-helixtrans-83.6-19178.9-66.1-23.6000112.4R132 Q133 T134 R163R132-D136 WeakPolarHBondContact O-CB 3.39Å; R132-D136 VanDerWaalsContact O-CG 3.29Å; R132-D136 PolarHBondContact O-N 2.91Å; Q133-D136 PolarHBondContact O-N 3.26Å; T134-D136 VanDerWaalsContact C-N 3.32Å; D136-R163 IonicContact OD1-CZ 2.66Å; D136-R163 IonicContact OD1-NH1 3.95Å; D136-R163 PolarHBondContact OD1-NH1 3.09Å; D136-R163 IonicContact OD1-NH2 2.97Å; D136-R163 PolarHBondContact OD1-NH2 2.98Å
137G85.5Confident92.8Very high25 Ų2535.3 Ų35.326%0.25819%0.189SC..  trans-73.3173176.600000114Q133 T134Q133-G137 PolarHBondContact O-N 3.37Å; T134-G137 PolarHBondContact O-N 3.43Å
138S79.1Confident92.6Very high92 Ų9237.7 Ų37.764%0.64320%0.203SC*.SBendtrans-1226.3176.259.10000113.3
139S78.6Confident92Very high63 Ų6341.1 Ų41.144%0.44123%0.227SC..SBendtrans-78.9-22.1-173.762.20000113.6T101T101-S139 WeakPolarHBondContact O-CB 3.25Å; T101-S139 PolarHBondContact O-OG 3.27Å
140C88.3Confident91.3Very high5 Ų543.4 Ų43.43%0.03424%0.24CC..EExtended strand (participates in β ladder)trans-151161.2-179.770.10000113.2T101 T110 F112 T134T101-C140 HydrophobicContact CG2-CB 3.6Å; T101-C140 WeakPolarHBondContact CG2-SG 3.31Å; T110-C140 WeakPolarHBondContact O-CA 3.23Å; T110-C140 WeakPolarHBondContact O-CB 3.15Å; T110-C140 WeakPolarHBondContact OG1-CB 3.32Å; F112-C140 HydrophobicContact CB-CB 4.43Å; T134-C140 VanDerWaalsContact CG2-SG 3.52Å
141T93.4Very high90.7Very high1 Ų146.5 Ų46.51%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-93127.7166.1-69.40000109.4K3 T110 V111 F112 L187 C190K3-T141 WeakPolarHBondContact O-CG2 3.34Å; K3-T141 PolarHBondContact O-OG1 3.43Å; T110-T141 PolarHBondContact O-N 3.45Å; V111-T141 CarbonylContact C-O 3.48Å; V111-T141 VanDerWaalsContact CA-O 3.23Å; V111-T141 WeakPolarHBondContact CA-O 3.37Å; F112-T141 PolarHBondContact N-O 2.93Å; T141-L187 HydrophobicContact CG2-CD2 3.64Å; T141-C190 HydrophobicContact CG2-CB 3.79Å
142I95.7Very high90.1Very high0 Ų055.5 Ų55.50%031%0.312CS..EExtended strand (participates in β ladder)trans-84.3131.3172.4-65.8161.6000110H4 V5 F6 F112 I114 T134 L135H4-I142 HydrophobicContact CB-CB 4.3Å; H4-I142 PolarHBondContact ND1-N 2.95Å; V5-I142 PolarHBondContact N-O 2.77Å; F6-I142 HydrophobicContact CE1-CG2 4.28Å; F6-I142 HydrophobicContact CE2-CB 4.35Å; F6-I142 HydrophobicContact CE2-CG2 3.88Å; F6-I142 HydrophobicContact CZ-CB 4.42Å; F6-I142 HydrophobicContact CZ-CG2 3.54Å; F112-I142 HydrophobicContact CB-CG1 4.46Å; F112-I142 CarbonylContact O-C 3.57Å; F112-I142 WeakPolarHBondContact O-CA 3.5Å; I114-I142 HydrophobicContact CD1-CD1 4.47Å; I114-I142 HydrophobicContact CD1-CG2 3.99Å; I114-I142 HydrophobicContact CG1-CG2 4.21Å; T134-I142 HydrophobicContact CG2-CD1 3.67Å; T134-I142 HydrophobicContact CG2-CG1 3.92Å; L135-I142 HydrophobicContact CB-CD1 4.46Å; L135-I142 HydrophobicContact CD2-CD1 3.55Å; L135-I142 HydrophobicContact CG-CD1 3.68Å
143L97.6Very high89.7Confident0 Ų055.7 Ų55.70%033%0.325CS..EExtended strand (participates in β ladder)trans-109.7105.5159.8176.362.6000108.3V5 L7 V19 A22 V111 F112 I113 I114 I183 L187V5-L143 HydrophobicContact CB-CD1 4.09Å; V5-L143 HydrophobicContact CG1-CD1 3.95Å; V5-L143 VanDerWaalsContact O-CA 3.29Å; V5-L143 WeakPolarHBondContact O-CA 3.38Å; L7-L143 HydrophobicContact CD1-CD1 3.52Å; V19-L143 HydrophobicContact CG1-CD2 4.37Å; A22-L143 HydrophobicContact CB-CD2 3.81Å; V111-L143 HydrophobicContact CG1-CB 3.76Å; F112-L143 PolarHBondContact O-N 3.01Å; I113-L143 WeakPolarHBondContact CA-O 3.45Å; I113-L143 HydrophobicContact CD1-CB 3.74Å; I113-L143 HydrophobicContact CD1-CD2 3.91Å; I113-L143 HydrophobicContact CD1-CG 4.19Å; I114-L143 PolarHBondContact N-O 3.16Å; L143-I183 HydrophobicContact CD1-CG2 4.16Å; L143-L187 HydrophobicContact CB-CD2 4.17Å; L143-L187 HydrophobicContact CD1-CD1 4.18Å; L143-L187 HydrophobicContact CD1-CD2 4.42Å; L143-L187 HydrophobicContact CD2-CD1 3.93Å; L143-L187 HydrophobicContact CG-CD1 4.48Å
144G97.4Very high89.6Confident0 Ų051 Ų510%030%0.304CS..EExtended strand (participates in β ladder)trans-126.7172.1-175.800000114.3V5 F6 L7 I114V5-G144 PolarHBondContact O-N 2.92Å; F6-G144 CarbonylContact C-O 3.59Å; F6-G144 VanDerWaalsContact CA-O 3.22Å; F6-G144 WeakPolarHBondContact CA-O 3.14Å; L7-G144 PolarHBondContact N-O 2.68Å; I114-G144 CarbonylContact O-C 3.54Å; I114-G144 WeakPolarHBondContact O-CA 3.32Å
145T97.4Very high89.6Confident0 Ų052.6 Ų52.60%032%0.323CS..EExtended strand (participates in β ladder)trans-121.9145.816880.90000110.8L7 K15 V19 I114 D115 E116 I117L7-T145 HydrophobicContact CB-CG2 4.12Å; L7-T145 CarbonylContact O-C 3.59Å; L7-T145 VanDerWaalsContact O-CA 3.25Å; L7-T145 WeakPolarHBondContact O-CA 3.13Å; K15-T145 HydrophobicContact CB-CG2 4.1Å; V19-T145 HydrophobicContact CG2-CG2 3.6Å; I114-T145 PolarHBondContact O-N 2.88Å; D115-T145 HydrophobicContact CB-CG2 4.08Å; D115-T145 WeakPolarHBondContact OD1-CB 3.27Å; D115-T145 WeakPolarHBondContact OD1-CG2 3.36Å; D115-T145 PolarHBondContact OD1-OG1 3.09Å; E116-T145 WeakPolarHBondContact CA-OG1 3.3Å; E116-T145 WeakPolarHBondContact CB-OG1 3.49Å; E116-T145 VanDerWaalsContact CG-OG1 3.23Å; E116-T145 WeakPolarHBondContact CG-OG1 3.13Å; I117-T145 PolarHBondContact N-O 3.46Å
146I96.7Very high89.7Confident0 Ų052.6 Ų52.60%032%0.324CS..EExtended strand (participates in β ladder)trans-132.9145.2176.550168.7000110.4F6 L7 T8 I117 V157 V160 R161 V168F6-I146 HydrophobicContact CB-CG1 4.45Å; F6-I146 HydrophobicContact CD1-CG2 3.92Å; F6-I146 HydrophobicContact CE1-CG2 4.28Å; L7-I146 PolarHBondContact O-N 2.66Å; T8-I146 WeakPolarHBondContact CA-O 3.49Å; T8-I146 WeakPolarHBondContact CB-O 3.32Å; T8-I146 PolarHBondContact OG1-O 2.97Å; I117-I146 HydrophobicContact CB-CG2 4.04Å; I146-V157 HydrophobicContact CB-CG1 3.97Å; I146-V157 HydrophobicContact CD1-CG1 4.33Å; I146-V157 HydrophobicContact CG2-CG1 4.23Å; I146-V157 HydrophobicContact CG2-CG2 4.33Å; I146-V160 HydrophobicContact CD1-CG1 4.34Å; I146-V160 HydrophobicContact CG2-CG1 4.25Å; I146-R161 HydrophobicContact CD1-CB 4.26Å; I146-V168 HydrophobicContact CD1-CG1 4.32Å
147P94.1Very high89.9Confident29 Ų2947.5 Ų47.519%0.18830%0.296CS..EExtended strand (participates in β ladder)trans-66.5154.7178.826.3-33.2000111.2T8 E116 I117 L154 V157 R161T8-P147 PolarHBondContact OG1-O 3.23Å; E116-P147 WeakPolarHBondContact OE1-CA 3.5Å; E116-P147 WeakPolarHBondContact OE1-CB 3.39Å; E116-P147 VanDerWaalsContact OE1-CD 3.26Å; E116-P147 WeakPolarHBondContact OE1-CD 3.38Å; I117-P147 WeakPolarHBondContact O-CD 3.07Å; P147-L154 HydrophobicContact CG-CD1 4.03Å; P147-V157 HydrophobicContact CG-CG1 4.34Å; P147-V157 HydrophobicContact CG-CG2 4.09Å; P147-R161 PolarHBondContact O-NH2 2.78Å
148V92.1Very high90.3Very high49 Ų4949.2 Ų49.230%0.29730%0.298SS..  trans-61.5145.9166.8-710000109.9T8 G9 K150T8-V148 PolarHBondContact OG1-N 2.6Å; G9-V148 VanDerWaalsContact C-CG1 3.49Å; V148-K150 PolarHBondContact O-N 2.96Å
149P85.1Confident91.1Very high89 Ų8948.2 Ų48.258%0.57828%0.283SS*.SBendtrans-59.8110.8175.8-11.923.5000109
150K81.3Confident91.9Very high189 Ų18945.2 Ų45.282%0.82226%0.262SS*.  trans-148125.9176.3-169.6176-179.5178.10110.4V148V148-K150 PolarHBondContact O-N 2.96Å
151G81.1Confident92.2Very high75 Ų7548 Ų4877%0.77327%0.272SS*.SBendtrans72.6-139.7-179.700000112.2
152K84.3Confident92.3Very high189 Ų18952.4 Ų52.482%0.82230%0.302SS*.SBendtrans-67128.6-178.3-173.4177.4-179.6176.50110L154K152-L154 PolarHBondContact O-N 2.92Å
153P86.6Confident92.3Very high95 Ų9555.3 Ų55.362%0.61731%0.313SS*.  trans-61.1138178.224.8-33.5000110.6E158P153-E158 HydrophobicContact CB-CG 4.06Å
154L90.9Very high92.2Very high42 Ų4266.5 Ų66.522%0.2236%0.355CS..  trans-95.5113.3174.4-64.6174.1000107K119 L122 P147 K152 L156 V157 E158K119-L154 HydrophobicContact CB-CD1 4.19Å; K119-L154 HydrophobicContact CB-CD2 4.39Å; K119-L154 HydrophobicContact CG-CD2 4.32Å; L122-L154 HydrophobicContact CD1-CB 3.7Å; L122-L154 HydrophobicContact CD1-CD1 4.03Å; L122-L154 HydrophobicContact CD1-CD2 4.17Å; L122-L154 HydrophobicContact CD1-CG 4.17Å; P147-L154 HydrophobicContact CG-CD1 4.03Å; K152-L154 PolarHBondContact O-N 2.92Å; L154-L156 PolarHBondContact O-N 3.06Å; L154-V157 HydrophobicContact CB-CB 3.91Å; L154-V157 HydrophobicContact CB-CG2 3.76Å; L154-V157 HydrophobicContact CD1-CG2 4.04Å; L154-V157 WeakPolarHBondContact O-CB 3.15Å; L154-V157 PolarHBondContact O-N 2.83Å; L154-E158 PolarHBondContact O-N 2.87Å
155G92.8Very high92Very high47 Ų4767.9 Ų67.949%0.48536%0.363SS..Hα-helixtrans-49.7-52.8-169.500000113.6V157 E158 E159G155-V157 VanDerWaalsContact C-N 3.33Å; G155-V157 PolarHBondContact O-N 2.94Å; G155-E158 PolarHBondContact O-N 3.08Å; G155-E159 WeakPolarHBondContact O-CG 3.08Å; G155-E159 PolarHBondContact O-N 3.04Å
156L94.3Very high92Very high5 Ų568.3 Ų68.33%0.02637%0.365CS..Hα-helixtrans-64.3-34.3179.4-173.562.1000113.4I117 L122 I128 V131 R132 L154 E159 V160I117-L156 HydrophobicContact CG2-CD2 3.9Å; I117-L156 HydrophobicContact CG2-CG 4.26Å; L122-L156 HydrophobicContact CD2-CB 3.65Å; L122-L156 HydrophobicContact CD2-CD2 3.52Å; L122-L156 HydrophobicContact CD2-CG 4.17Å; I128-L156 HydrophobicContact CB-CD2 4.4Å; I128-L156 HydrophobicContact CG1-CD2 4.19Å; I128-L156 HydrophobicContact CG2-CD2 4.31Å; V131-L156 HydrophobicContact CB-CD2 3.99Å; V131-L156 HydrophobicContact CG1-CD1 4.33Å; V131-L156 HydrophobicContact CG1-CD2 3.86Å; V131-L156 HydrophobicContact CG1-CG 4.44Å; V131-L156 HydrophobicContact CG2-CD2 4.43Å; R132-L156 HydrophobicContact CG-CD1 3.69Å; L154-L156 PolarHBondContact O-N 3.06Å; L156-E159 WeakPolarHBondContact O-CB 3.04Å; L156-E159 PolarHBondContact O-N 2.91Å; L156-V160 VanDerWaalsContact O-CG2 3.31Å; L156-V160 WeakPolarHBondContact O-CG2 3.34Å; L156-V160 PolarHBondContact O-N 2.95Å
157V95.5Very high92Very high2 Ų271.8 Ų71.81%0.01238%0.381CS..Hα-helixtrans-66.1-43.5178.2171.30000110.6I117 L122 I146 P147 L154 G155 V160 R161I117-V157 HydrophobicContact CG2-CG2 4.33Å; I117-V157 WeakPolarHBondContact O-CG2 3.42Å; L122-V157 HydrophobicContact CD1-CG2 4.1Å; I146-V157 HydrophobicContact CB-CG1 3.97Å; I146-V157 HydrophobicContact CD1-CG1 4.33Å; I146-V157 HydrophobicContact CG2-CG1 4.23Å; I146-V157 HydrophobicContact CG2-CG2 4.33Å; P147-V157 HydrophobicContact CG-CG1 4.34Å; P147-V157 HydrophobicContact CG-CG2 4.09Å; L154-V157 HydrophobicContact CB-CB 3.91Å; L154-V157 HydrophobicContact CB-CG2 3.76Å; L154-V157 HydrophobicContact CD1-CG2 4.04Å; L154-V157 WeakPolarHBondContact O-CB 3.15Å; L154-V157 PolarHBondContact O-N 2.83Å; G155-V157 VanDerWaalsContact C-N 3.33Å; G155-V157 PolarHBondContact O-N 2.94Å; V157-V160 PolarHBondContact O-N 2.87Å; V157-R161 VanDerWaalsContact O-CB 3.3Å; V157-R161 WeakPolarHBondContact O-CB 3.35Å; V157-R161 PolarHBondContact O-N 3.47Å
158E95.1Very high92.2Very high61 Ų6172.3 Ų72.329%0.28538%0.383SS..Hα-helixtrans-71.6-32.9178.3-62.4-49.7128.500112P153 L154 G155 R161 S162P153-E158 HydrophobicContact CB-CG 4.06Å; L154-E158 PolarHBondContact O-N 2.87Å; G155-E158 PolarHBondContact O-N 3.08Å; E158-R161 PolarHBondContact O-N 2.83Å; E158-R161 IonicContact OE1-CZ 3.74Å; E158-R161 IonicContact OE1-NE 3.24Å; E158-R161 PolarHBondContact OE1-NE 3.34Å; E158-R161 IonicContact OE1-NH2 2.71Å; E158-R161 PolarHBondContact OE1-NH2 3.29Å; E158-R161 IonicContact OE2-NE 2.68Å; E158-R161 PolarHBondContact OE2-NE 3.42Å; E158-S162 VanDerWaalsContact O-CB 3.31Å; E158-S162 WeakPolarHBondContact O-CB 3.48Å; E158-S162 PolarHBondContact O-N 2.64Å; E158-S162 PolarHBondContact O-OG 2.55Å
159E95.1Very high92.4Very high71 Ų7170.9 Ų70.933%0.33237%0.373SS..Hα-helixtrans-57.8-56.7167.9-73.7163.4-146.700110.3R132 G155 L156 R161 S162 R163R132-E159 IonicContact CZ-OE1 2.73Å; R132-E159 IonicContact CZ-OE2 3.66Å; R132-E159 VanDerWaalsContact CZ-OE2 3.29Å; R132-E159 IonicContact NE-OE1 3.27Å; R132-E159 IonicContact NE-OE2 3.22Å; R132-E159 PolarHBondContact NE-OE2 3.05Å; R132-E159 VanDerWaalsContact NH2-CD 3.26Å; R132-E159 IonicContact NH2-OE1 3.46Å; R132-E159 PolarHBondContact NH2-OE1 2.75Å; R132-E159 IonicContact NH2-OE2 3.28Å; R132-E159 PolarHBondContact NH2-OE2 3.13Å; G155-E159 WeakPolarHBondContact O-CG 3.08Å; G155-E159 PolarHBondContact O-N 3.04Å; L156-E159 WeakPolarHBondContact O-CB 3.04Å; L156-E159 PolarHBondContact O-N 2.91Å; E159-R161 VanDerWaalsContact C-N 3.28Å; E159-R161 PolarHBondContact O-N 3.3Å; E159-S162 PolarHBondContact O-N 3.37Å; E159-S162 VanDerWaalsContact O-N 3.13Å; E159-S162 PolarHBondContact O-OG 2.99Å; E159-S162 VanDerWaalsContact O-OG 3.09Å; E159-R163 WeakPolarHBondContact O-CG 3.13Å; E159-R163 PolarHBondContact O-N 3.25Å; E159-R163 VanDerWaalsContact O-N 3.16Å
160V95.9Very high93Very high0 Ų071.1 Ų71.10%037%0.373CS..Hα-helixtrans-55.5-43.2178.1170.60000111.7F6 L135 I146 L156 V157 S162 V166F6-V160 HydrophobicContact CB-CG1 4.41Å; F6-V160 HydrophobicContact CD1-CG1 3.71Å; F6-V160 HydrophobicContact CD2-CG1 3.61Å; F6-V160 HydrophobicContact CE1-CG1 3.76Å; F6-V160 HydrophobicContact CE2-CG1 3.63Å; F6-V160 HydrophobicContact CG-CG1 3.62Å; F6-V160 HydrophobicContact CZ-CG1 3.69Å; F6-V160 HydrophobicContact CZ-CG2 4.35Å; L135-V160 HydrophobicContact CD1-CG2 3.67Å; I146-V160 HydrophobicContact CD1-CG1 4.34Å; I146-V160 HydrophobicContact CG2-CG1 4.25Å; L156-V160 VanDerWaalsContact O-CG2 3.31Å; L156-V160 WeakPolarHBondContact O-CG2 3.34Å; L156-V160 PolarHBondContact O-N 2.95Å; V157-V160 PolarHBondContact O-N 2.87Å; V160-S162 VanDerWaalsContact C-N 3.33Å; V160-S162 PolarHBondContact O-N 3Å; V160-V166 HydrophobicContact CG1-CG1 4.22Å
161R94.7Very high93.6Very high64 Ų6462.2 Ų62.224%0.24233%0.334CS..Hα-helixtrans-65.9-33.2-178.9-167.8-166.6-55.2-82.8-7.6113.1I146 P147 V157 E158 E159I146-R161 HydrophobicContact CD1-CB 4.26Å; P147-R161 PolarHBondContact O-NH2 2.78Å; V157-R161 VanDerWaalsContact O-CB 3.3Å; V157-R161 WeakPolarHBondContact O-CB 3.35Å; V157-R161 PolarHBondContact O-N 3.47Å; E158-R161 PolarHBondContact O-N 2.83Å; E158-R161 IonicContact OE1-CZ 3.74Å; E158-R161 IonicContact OE1-NE 3.24Å; E158-R161 PolarHBondContact OE1-NE 3.34Å; E158-R161 IonicContact OE1-NH2 2.71Å; E158-R161 PolarHBondContact OE1-NH2 3.29Å; E158-R161 IonicContact OE2-NE 2.68Å; E158-R161 PolarHBondContact OE2-NE 3.42Å; E159-R161 VanDerWaalsContact C-N 3.28Å; E159-R161 PolarHBondContact O-N 3.3Å
162S94.9Very high94.2Very high93 Ų9360.2 Ų60.265%0.6531%0.309SS*.Hα-helixtrans-92-8-175.259.60000114.1E158 E159 V160E158-S162 VanDerWaalsContact O-CB 3.31Å; E158-S162 WeakPolarHBondContact O-CB 3.48Å; E158-S162 PolarHBondContact O-N 2.64Å; E158-S162 PolarHBondContact O-OG 2.55Å; E159-S162 PolarHBondContact O-N 3.37Å; E159-S162 VanDerWaalsContact O-N 3.13Å; E159-S162 PolarHBondContact O-OG 2.99Å; E159-S162 VanDerWaalsContact O-OG 3.09Å; V160-S162 VanDerWaalsContact C-N 3.33Å; V160-S162 PolarHBondContact O-N 3Å
163R95.8Very high94.4Very high61 Ų6158.5 Ų58.523%0.2330%0.301CS..  trans-64.7133.7178.5-84.9-17782.9103.81.3112.6L135 D136 E159 D165 V166L135-R163 PolarHBondContact O-NH2 2.76Å; D136-R163 IonicContact OD1-CZ 2.66Å; D136-R163 IonicContact OD1-NH1 3.95Å; D136-R163 PolarHBondContact OD1-NH1 3.09Å; D136-R163 IonicContact OD1-NH2 2.97Å; D136-R163 PolarHBondContact OD1-NH2 2.98Å; E159-R163 WeakPolarHBondContact O-CG 3.13Å; E159-R163 PolarHBondContact O-N 3.25Å; E159-R163 VanDerWaalsContact O-N 3.16Å; R163-D165 VanDerWaalsContact C-N 3.3Å; R163-D165 WeakPolarHBondContact CB-OD1 3.36Å; R163-D165 IonicContact CZ-OD1 2.78Å; R163-D165 IonicContact CZ-OD2 3.23Å; R163-D165 IonicContact NE-OD1 2.76Å; R163-D165 PolarHBondContact NE-OD1 3.3Å; R163-D165 IonicContact NE-OD2 3.16Å; R163-D165 IonicContact NH2-OD1 3.04Å; R163-D165 PolarHBondContact NH2-OD1 2.94Å; R163-D165 IonicContact NH2-OD2 3.99Å; R163-D165 PolarHBondContact NH2-OD2 2.92Å; R163-D165 PolarHBondContact O-N 2.92Å; R163-V166 HydrophobicContact CB-CB 3.92Å; R163-V166 HydrophobicContact CB-CG2 3.54Å; R163-V166 HydrophobicContact CG-CG2 4.36Å; R163-V166 PolarHBondContact O-N 2.85Å
164R94.8Very high94.5Very high235 Ų23561.4 Ų61.489%0.88731%0.306SS*.THydrogen-bonded Turntrans-74.2-20.9179.9-62.8-175.1-179-160.10.8113.6
165D94.8Very high94.5Very high29 Ų2961.7 Ų61.716%0.15531%0.308CS..THydrogen-bonded Turntrans-95.27.5176.961.8-12.5000112.6F2 K3 H4 R163F2-D165 CarbonylContact C-O 3.57Å; F2-D165 WeakPolarHBondContact CA-O 3.4Å; K3-D165 HydrophobicContact CB-CB 4.2Å; K3-D165 HydrophobicContact CD-CB 4.25Å; K3-D165 HydrophobicContact CG-CB 4.13Å; K3-D165 PolarHBondContact N-O 3.16Å; H4-D165 PolarHBondContact N-O 3.17Å; H4-D165 VanDerWaalsContact N-O 3.09Å; R163-D165 VanDerWaalsContact C-N 3.3Å; R163-D165 WeakPolarHBondContact CB-OD1 3.36Å; R163-D165 IonicContact CZ-OD1 2.78Å; R163-D165 IonicContact CZ-OD2 3.23Å; R163-D165 IonicContact NE-OD1 2.76Å; R163-D165 PolarHBondContact NE-OD1 3.3Å; R163-D165 IonicContact NE-OD2 3.16Å; R163-D165 IonicContact NH2-OD1 3.04Å; R163-D165 PolarHBondContact NH2-OD1 2.94Å; R163-D165 IonicContact NH2-OD2 3.99Å; R163-D165 PolarHBondContact NH2-OD2 2.92Å; R163-D165 PolarHBondContact O-N 2.92Å
166V96.6Very high94Very high9 Ų964.3 Ų64.36%0.05530%0.303CS..EExtended strand (participates in β ladder)trans-109.7128175.9172.80000110.4F2 H4 F6 L135 V160 R163 V168F2-V166 VanDerWaalsContact CD1-C 3.41Å; F2-V166 WeakPolarHBondContact CD1-O 3.37Å; F2-V166 WeakPolarHBondContact CE1-O 3.26Å; H4-V166 HydrophobicContact CB-CG2 4.1Å; H4-V166 WeakPolarHBondContact O-CA 3.36Å; F6-V166 HydrophobicContact CB-CG1 4.19Å; F6-V166 HydrophobicContact CD2-CG1 3.55Å; F6-V166 HydrophobicContact CD2-CG2 4.39Å; F6-V166 HydrophobicContact CE2-CG1 4.35Å; F6-V166 HydrophobicContact CE2-CG2 4.42Å; F6-V166 HydrophobicContact CG-CG1 4.22Å; L135-V166 HydrophobicContact CD2-CG2 4.48Å; V160-V166 HydrophobicContact CG1-CG1 4.22Å; R163-V166 HydrophobicContact CB-CB 3.92Å; R163-V166 HydrophobicContact CB-CG2 3.54Å; R163-V166 HydrophobicContact CG-CG2 4.36Å; R163-V166 PolarHBondContact O-N 2.85Å; V166-V168 HydrophobicContact CG1-CG2 3.79Å
167K97.4Very high93.3Very high73 Ų7369.7 Ų69.732%0.31733%0.332SS..EExtended strand (participates in β ladder)trans-93.2119165.2-179.165.1172.4-173.30109.3F2 H4 V5 F6 F169 T186F2-K167 HydrophobicContact CB-CB 4.09Å; F2-K167 HydrophobicContact CD1-CB 3.9Å; F2-K167 HydrophobicContact CD2-CB 3.91Å; F2-K167 HydrophobicContact CD2-CD 4.15Å; F2-K167 HydrophobicContact CD2-CG 4.39Å; F2-K167 HydrophobicContact CE1-CB 4.3Å; F2-K167 HydrophobicContact CE1-CD 4.38Å; F2-K167 HydrophobicContact CE2-CB 4.33Å; F2-K167 HydrophobicContact CE2-CD 3.76Å; F2-K167 HydrophobicContact CE2-CG 4.48Å; F2-K167 HydrophobicContact CG-CB 3.69Å; F2-K167 HydrophobicContact CZ-CD 3.88Å; H4-K167 PolarHBondContact O-N 3.11Å; V5-K167 CarbonylContact C-O 3.5Å; V5-K167 WeakPolarHBondContact CA-O 3.4Å; F6-K167 PolarHBondContact N-O 3.44Å; K167-F169 HydrophobicContact CB-CE2 4.43Å; K167-F169 HydrophobicContact CG-CD2 4.01Å; K167-F169 HydrophobicContact CG-CE2 3.46Å; K167-F169 VanDerWaalsContact CG-CE2 3.46Å; K167-F169 HydrophobicContact CG-CZ 3.8Å; K167-T186 HydrophobicContact CB-CG2 4.08Å; K167-T186 HydrophobicContact CG-CG2 4.12Å
168V97.3Very high92.9Very high41 Ų4172.7 Ų72.725%0.24836%0.357CS..EExtended strand (participates in β ladder)trans-101.6124173.6-171.70000110.6F6 T8 I146 V166F6-V168 HydrophobicContact CB-CG2 4.37Å; F6-V168 CarbonylContact O-C 3.6Å; F6-V168 VanDerWaalsContact O-CA 3.29Å; F6-V168 WeakPolarHBondContact O-CA 3.43Å; T8-V168 HydrophobicContact CG2-CG1 3.74Å; I146-V168 HydrophobicContact CD1-CG1 4.32Å; V166-V168 HydrophobicContact CG1-CG2 3.79Å
169F96.9Very high92.9Very high19 Ų1970.5 Ų70.58%0.08335%0.347CS..EExtended strand (participates in β ladder)trans-100.3126.1172.5-71.2-83000110.9V5 F6 L7 T8 K167 L179 D182 I183 T186V5-F169 HydrophobicContact CG1-CD2 3.67Å; V5-F169 HydrophobicContact CG1-CE2 3.65Å; F6-F169 PolarHBondContact O-N 3.34Å; L7-F169 CarbonylContact C-O 3.55Å; L7-F169 WeakPolarHBondContact CA-O 3.23Å; T8-F169 PolarHBondContact N-O 2.83Å; K167-F169 HydrophobicContact CB-CE2 4.43Å; K167-F169 HydrophobicContact CG-CD2 4.01Å; K167-F169 HydrophobicContact CG-CE2 3.46Å; K167-F169 VanDerWaalsContact CG-CE2 3.46Å; K167-F169 HydrophobicContact CG-CZ 3.8Å; F169-L179 HydrophobicContact CD1-CD2 3.84Å; F169-L179 HydrophobicContact CE1-CD2 4.47Å; F169-D182 HydrophobicContact CE1-CB 3.85Å; F169-D182 HydrophobicContact CZ-CB 4.22Å; F169-I183 HydrophobicContact CD2-CG1 3.81Å; F169-I183 HydrophobicContact CE2-CG1 4Å; F169-I183 HydrophobicContact CG-CG1 4.07Å; F169-I183 HydrophobicContact CZ-CG1 4.44Å; F169-T186 HydrophobicContact CE2-CG2 4.48Å; F169-T186 WeakPolarHBondContact CZ-OG1 3.32Å
170T96.4Very high92.7Very high94 Ų9468.6 Ų68.658%0.57734%0.339SS*.EExtended strand (participates in β ladder)trans-89.5108174.3-56.70000110.1T8 N175T8-T170 HydrophobicContact CG2-CG2 4.43Å; T8-T170 CarbonylContact O-C 3.54Å; T8-T170 WeakPolarHBondContact O-CA 3.2Å; T170-N175 PolarHBondContact O-ND2 2.86Å
171V95.3Very high92.6Very high1 Ų174.7 Ų74.71%0.00637%0.368CS..  trans-84.6128.6179.5-172.10000110.1L7 T8 V13 L18 R176 L179L7-V171 HydrophobicContact CB-CG2 4.11Å; L7-V171 HydrophobicContact CD2-CG2 4.05Å; L7-V171 HydrophobicContact CG-CG2 4.28Å; T8-V171 PolarHBondContact O-N 3.47Å; V13-V171 HydrophobicContact CG1-CB 4.09Å; V13-V171 HydrophobicContact CG1-CG1 3.87Å; V13-V171 HydrophobicContact CG2-CG1 4.1Å; L18-V171 HydrophobicContact CD1-CB 4.49Å; L18-V171 HydrophobicContact CD1-CG1 3.65Å; L18-V171 HydrophobicContact CD1-CG2 3.93Å; V171-R176 HydrophobicContact CG1-CB 3.88Å; V171-L179 HydrophobicContact CB-CD1 4.35Å; V171-L179 HydrophobicContact CG2-CD1 4.04Å
172S93.2Very high92.6Very high33 Ų3375.7 Ų75.723%0.23138%0.378CS..  trans-123.7171.9170.885.70000109.8V13 E174 N175 R176V13-S172 VanDerWaalsContact CG2-C 3.43Å; S172-E174 WeakPolarHBondContact CB-OE2 3.22Å; S172-E174 PolarHBondContact O-N 3.28Å; S172-E174 PolarHBondContact OG-N 3.22Å; S172-E174 PolarHBondContact OG-OE2 3.18Å; S172-N175 PolarHBondContact N-OD1 3.39Å; S172-N175 PolarHBondContact O-OD1 2.88Å; S172-N175 PolarHBondContact OG-N 3.07Å; S172-N175 PolarHBondContact OG-OD1 2.83Å; S172-R176 WeakPolarHBondContact O-CB 3.5Å; S172-R176 PolarHBondContact O-N 2.77Å
173K88.6Confident92.6Very high153 Ų15371.3 Ų71.367%0.66535%0.347SS*.THydrogen-bonded Turntrans-66.5-30.2178.2-70.6-177.3178.4179.10111.6V13V13-K173 HydrophobicContact CG2-CG 4.21Å
174E89.2Confident92.5Very high156 Ų15669.3 Ų69.373%0.72934%0.341SS*.THydrogen-bonded Turntrans-78.6-37.9-174.4-55.170.2-146.600111.3S172S172-E174 WeakPolarHBondContact CB-OE2 3.22Å; S172-E174 PolarHBondContact O-N 3.28Å; S172-E174 PolarHBondContact OG-N 3.22Å; S172-E174 PolarHBondContact OG-OE2 3.18Å
175N89.9Confident92.5Very high48 Ų4860.8 Ų60.826%0.25732%0.318SS..THydrogen-bonded Turntrans-99.9-13.6-172.373.28000114.7T170 S172 N177 A178 L179T170-N175 PolarHBondContact O-ND2 2.86Å; S172-N175 PolarHBondContact N-OD1 3.39Å; S172-N175 PolarHBondContact O-OD1 2.88Å; S172-N175 PolarHBondContact OG-N 3.07Å; S172-N175 PolarHBondContact OG-OD1 2.83Å; N175-N177 PolarHBondContact O-N 3.25Å; N175-A178 PolarHBondContact O-N 3.32Å; N175-L179 HydrophobicContact CB-CD1 4.38Å; N175-L179 HydrophobicContact CB-CG 4.2Å; N175-L179 VanDerWaalsContact CG-CD1 3.48Å; N175-L179 WeakPolarHBondContact O-CG 3.13Å; N175-L179 PolarHBondContact O-N 2.83Å; N175-L179 VanDerWaalsContact OD1-CD1 3.22Å; N175-L179 WeakPolarHBondContact OD1-CD1 3.43Å
176R82.3Confident92.5Very high102 Ų10260.2 Ų60.239%0.38532%0.315SS..Hα-helixtrans-51.7-39.5-17164.3-176.1-175.3172.94.7113.9V13 L18 V171 S172V13-R176 PolarHBondContact O-NH1 3.48Å; L18-R176 HydrophobicContact CD1-CB 3.97Å; L18-R176 HydrophobicContact CD2-CB 4.45Å; L18-R176 WeakPolarHBondContact CD2-O 3.34Å; L18-R176 HydrophobicContact CG-CB 4.49Å; V171-R176 HydrophobicContact CG1-CB 3.88Å; S172-R176 WeakPolarHBondContact O-CB 3.5Å; S172-R176 PolarHBondContact O-N 2.77Å
177N79.6Confident92.3Very high118 Ų11859.8 Ų59.863%0.63131%0.312SS*.Hα-helixtrans-73.3-32.7-178.3-67.9-22.3000112.7N175N175-N177 PolarHBondContact O-N 3.25Å
178A88.2Confident92Very high65 Ų6560.6 Ų60.654%0.53732%0.317SS..Hα-helixtrans-78.8-37178.200000111.6N175 L180 Q181N175-A178 PolarHBondContact O-N 3.32Å; A178-L180 PolarHBondContact O-N 3.11Å; A178-L180 VanDerWaalsContact O-N 3.13Å; A178-Q181 PolarHBondContact O-N 3.48Å
179L93.3Very high91.7Very high15 Ų1562.9 Ų62.98%0.07933%0.325CS..Hα-helixtrans-60.7-24.5-177.7-79.9-177.6000114.2F169 V171 N175 Q181 D182 I183F169-L179 HydrophobicContact CD1-CD2 3.84Å; F169-L179 HydrophobicContact CE1-CD2 4.47Å; V171-L179 HydrophobicContact CB-CD1 4.35Å; V171-L179 HydrophobicContact CG2-CD1 4.04Å; N175-L179 HydrophobicContact CB-CD1 4.38Å; N175-L179 HydrophobicContact CB-CG 4.2Å; N175-L179 VanDerWaalsContact CG-CD1 3.48Å; N175-L179 WeakPolarHBondContact O-CG 3.13Å; N175-L179 PolarHBondContact O-N 2.83Å; N175-L179 VanDerWaalsContact OD1-CD1 3.22Å; N175-L179 WeakPolarHBondContact OD1-CD1 3.43Å; L179-Q181 VanDerWaalsContact C-N 3.25Å; L179-Q181 PolarHBondContact O-N 2.71Å; L179-D182 PolarHBondContact O-N 2.82Å; L179-I183 HydrophobicContact CB-CD1 4.24Å; L179-I183 WeakPolarHBondContact O-CB 3.41Å; L179-I183 WeakPolarHBondContact O-CD1 3.44Å; L179-I183 VanDerWaalsContact O-CG1 3.22Å; L179-I183 WeakPolarHBondContact O-CG1 3.45Å; L179-I183 PolarHBondContact O-N 3.22Å
180L92.6Very high91.3Very high31 Ų3162 Ų6216%0.16232%0.322CS..Hα-helixtrans-56.8-42.1-179179.760.9000111.7L18 K21 A22 A178 I183 L184L18-L180 HydrophobicContact CD2-CB 4.43Å; K21-L180 HydrophobicContact CB-CD1 4.02Å; K21-L180 HydrophobicContact CB-CD2 4.01Å; K21-L180 HydrophobicContact CD-CD2 4.2Å; A22-L180 HydrophobicContact CB-CD1 4.12Å; A178-L180 PolarHBondContact O-N 3.11Å; A178-L180 VanDerWaalsContact O-N 3.13Å; L180-I183 PolarHBondContact O-N 2.84Å; L180-L184 HydrophobicContact CD1-CD1 4.21Å; L180-L184 HydrophobicContact CD1-CG 4.32Å; L180-L184 HydrophobicContact CG-CD1 4.13Å; L180-L184 WeakPolarHBondContact O-CB 3.48Å; L180-L184 VanDerWaalsContact O-CG 3.28Å; L180-L184 WeakPolarHBondContact O-CG 3.43Å; L180-L184 PolarHBondContact O-N 3.15Å
181Q92.2Very high90.8Very high129 Ų12958 Ų5860%0.60330%0.297SS*.Hα-helixtrans-68.1-42179.8-66.3-59.7-40.500111.6A178 L179 I183 L184 S185A178-Q181 PolarHBondContact O-N 3.48Å; L179-Q181 VanDerWaalsContact C-N 3.25Å; L179-Q181 PolarHBondContact O-N 2.71Å; Q181-I183 VanDerWaalsContact C-N 3.33Å; Q181-I183 PolarHBondContact O-N 3.43Å; Q181-L184 PolarHBondContact O-N 3.33Å; Q181-S185 WeakPolarHBondContact O-CB 3.49Å; Q181-S185 PolarHBondContact O-N 3.06Å
182D94.8Very high90.1Very high84 Ų8464.2 Ų64.245%0.44932%0.324SS..Hα-helixtrans-63.9-39.9177.6-61-23.2000111.9F169 L179 T186F169-D182 HydrophobicContact CE1-CB 3.85Å; F169-D182 HydrophobicContact CZ-CB 4.22Å; L179-D182 PolarHBondContact O-N 2.82Å; D182-T186 WeakPolarHBondContact O-CB 3.32Å; D182-T186 PolarHBondContact O-N 3.34Å; D182-T186 PolarHBondContact O-OG1 3.4Å
183I95.4Very high88.7Confident1 Ų168.2 Ų68.21%0.00534%0.339CS..Hα-helixtrans-62-49.9175.4-70.3163000109.7V5 L7 A22 L143 F169 L179 L180 Q181 T186 L187V5-I183 HydrophobicContact CG1-CG2 4.35Å; L7-I183 HydrophobicContact CD1-CD1 4.41Å; L7-I183 HydrophobicContact CD2-CD1 3.94Å; L7-I183 HydrophobicContact CG-CD1 4.15Å; A22-I183 HydrophobicContact CB-CG2 4.45Å; L143-I183 HydrophobicContact CD1-CG2 4.16Å; F169-I183 HydrophobicContact CD2-CG1 3.81Å; F169-I183 HydrophobicContact CE2-CG1 4Å; F169-I183 HydrophobicContact CG-CG1 4.07Å; F169-I183 HydrophobicContact CZ-CG1 4.44Å; L179-I183 HydrophobicContact CB-CD1 4.24Å; L179-I183 WeakPolarHBondContact O-CB 3.41Å; L179-I183 WeakPolarHBondContact O-CD1 3.44Å; L179-I183 VanDerWaalsContact O-CG1 3.22Å; L179-I183 WeakPolarHBondContact O-CG1 3.45Å; L179-I183 PolarHBondContact O-N 3.22Å; L180-I183 PolarHBondContact O-N 2.84Å; Q181-I183 VanDerWaalsContact C-N 3.33Å; Q181-I183 PolarHBondContact O-N 3.43Å; I183-T186 PolarHBondContact O-N 3.34Å; I183-L187 HydrophobicContact CG2-CD1 3.71Å; I183-L187 HydrophobicContact CG2-CG 4.4Å; I183-L187 WeakPolarHBondContact O-CB 3.36Å; I183-L187 VanDerWaalsContact O-CG 3.29Å; I183-L187 WeakPolarHBondContact O-CG 3.42Å; I183-L187 PolarHBondContact O-N 3.24Å
184L94.2Very high87.2Confident19 Ų1963.5 Ų63.510%0.09933%0.325CS..Hα-helixtrans-62.6-43.8-179.8-72.2173.1000112.2A22 A25 L26 L180 Q181 T186 L187 Q188A22-L184 HydrophobicContact CB-CD2 4.16Å; A25-L184 HydrophobicContact CB-CD1 3.8Å; A25-L184 HydrophobicContact CB-CD2 3.88Å; L26-L184 HydrophobicContact CG-CD2 4.38Å; L180-L184 HydrophobicContact CD1-CD1 4.21Å; L180-L184 HydrophobicContact CD1-CG 4.32Å; L180-L184 HydrophobicContact CG-CD1 4.13Å; L180-L184 WeakPolarHBondContact O-CB 3.48Å; L180-L184 VanDerWaalsContact O-CG 3.28Å; L180-L184 WeakPolarHBondContact O-CG 3.43Å; L180-L184 PolarHBondContact O-N 3.15Å; Q181-L184 PolarHBondContact O-N 3.33Å; L184-T186 VanDerWaalsContact C-N 3.33Å; L184-T186 PolarHBondContact O-N 2.57Å; L184-L187 PolarHBondContact O-N 2.95Å; L184-Q188 WeakPolarHBondContact O-CB 3.28Å; L184-Q188 VanDerWaalsContact O-CG 3.3Å; L184-Q188 WeakPolarHBondContact O-CG 3.13Å; L184-Q188 PolarHBondContact O-N 2.78Å
185S94Very high85.1Confident57 Ų5761.9 Ų61.940%0.39933%0.331SS..Hα-helixtrans-59.6-45.5175.7-169.10000111.2Q181 L187 Q188 E189Q181-S185 WeakPolarHBondContact O-CB 3.49Å; Q181-S185 PolarHBondContact O-N 3.06Å; S185-L187 PolarHBondContact O-N 3.26Å; S185-Q188 PolarHBondContact O-N 3.41Å; S185-E189 WeakPolarHBondContact O-CG 3.4Å; S185-E189 PolarHBondContact O-N 3.32Å
186T94.7Very high84.8Confident16 Ų1662.6 Ų62.610%0.09834%0.335CS..Hα-helixtrans-64.8-40.9179.1-53.10000111.6V5 K167 F169 D182 I183 L184 E189 C190V5-T186 HydrophobicContact CG2-CG2 3.64Å; K167-T186 HydrophobicContact CB-CG2 4.08Å; K167-T186 HydrophobicContact CG-CG2 4.12Å; F169-T186 HydrophobicContact CE2-CG2 4.48Å; F169-T186 WeakPolarHBondContact CZ-OG1 3.32Å; D182-T186 WeakPolarHBondContact O-CB 3.32Å; D182-T186 PolarHBondContact O-N 3.34Å; D182-T186 PolarHBondContact O-OG1 3.4Å; I183-T186 PolarHBondContact O-N 3.34Å; L184-T186 VanDerWaalsContact C-N 3.33Å; L184-T186 PolarHBondContact O-N 2.57Å; T186-E189 PolarHBondContact O-N 3.38Å; T186-C190 PolarHBondContact O-N 2.75Å; T186-C190 PolarHBondContact O-SG 2.96Å
187L93.5Very high85Confident0 Ų060.5 Ų60.50%033%0.332CS..Hα-helixtrans-62.9-43.9175.8-73.5166.1000111.3V5 L26 V111 T141 L143 I183 L184 S185 E189 C190 L191V5-L187 HydrophobicContact CB-CD2 3.88Å; V5-L187 HydrophobicContact CB-CG 4.34Å; V5-L187 HydrophobicContact CG2-CD2 3.7Å; V5-L187 HydrophobicContact CG2-CG 3.99Å; L26-L187 HydrophobicContact CD1-CD1 4.26Å; V111-L187 HydrophobicContact CG1-CD2 4.37Å; T141-L187 HydrophobicContact CG2-CD2 3.64Å; L143-L187 HydrophobicContact CB-CD2 4.17Å; L143-L187 HydrophobicContact CD1-CD1 4.18Å; L143-L187 HydrophobicContact CD1-CD2 4.42Å; L143-L187 HydrophobicContact CD2-CD1 3.93Å; L143-L187 HydrophobicContact CG-CD1 4.48Å; I183-L187 HydrophobicContact CG2-CD1 3.71Å; I183-L187 HydrophobicContact CG2-CG 4.4Å; I183-L187 WeakPolarHBondContact O-CB 3.36Å; I183-L187 VanDerWaalsContact O-CG 3.29Å; I183-L187 WeakPolarHBondContact O-CG 3.42Å; I183-L187 PolarHBondContact O-N 3.24Å; L184-L187 PolarHBondContact O-N 2.95Å; S185-L187 PolarHBondContact O-N 3.26Å; L187-E189 VanDerWaalsContact C-N 3.3Å; L187-E189 PolarHBondContact O-N 3.26Å; L187-C190 WeakPolarHBondContact O-CB 3.32Å; L187-C190 PolarHBondContact O-N 3.2Å; L187-L191 WeakPolarHBondContact O-CB 3.31Å; L187-L191 WeakPolarHBondContact O-CG 3.35Å; L187-L191 PolarHBondContact O-N 2.93Å
188Q90.4Very high85.3Confident90 Ų9057.3 Ų57.342%0.42132%0.315SS..Hα-helixtrans-61.6-38.7176.1-73.1175.6-1.900112.2L184 S185 K192L184-Q188 WeakPolarHBondContact O-CB 3.28Å; L184-Q188 VanDerWaalsContact O-CG 3.3Å; L184-Q188 WeakPolarHBondContact O-CG 3.13Å; L184-Q188 PolarHBondContact O-N 2.78Å; S185-Q188 PolarHBondContact O-N 3.41Å; Q188-K192 VanDerWaalsContact O-CG 3.29Å; Q188-K192 WeakPolarHBondContact O-CG 3.21Å; Q188-K192 PolarHBondContact O-N 3.43Å; Q188-K192 VanDerWaalsContact O-N 3.09Å
189E90.4Very high85.1Confident89 Ų8956.9 Ų56.942%0.41630%0.302SS..Hα-helixtrans-62.4-50.3171.6-71.8171.2-159.200111.1S185 T186 L187 L191 K192 H193S185-E189 WeakPolarHBondContact O-CG 3.4Å; S185-E189 PolarHBondContact O-N 3.32Å; T186-E189 PolarHBondContact O-N 3.38Å; L187-E189 VanDerWaalsContact C-N 3.3Å; L187-E189 PolarHBondContact O-N 3.26Å; E189-L191 PolarHBondContact O-N 3.12Å; E189-K192 PolarHBondContact O-N 3.23Å; E189-K192 VanDerWaalsContact O-N 3.08Å; E189-H193 PolarHBondContact O-CD2 3.37Å; E189-H193 PolarHBondContact O-N 2.66Å
190C89.3Confident84.6Confident2 Ų259.5 Ų59.51%0.01432%0.316CS..Hα-helixtrans-54.7-41.3178.5-64.30000112F2 T141 T186 L187 H193 S194F2-C190 PolarHBondContact O-SG 2.92Å; T141-C190 HydrophobicContact CG2-CB 3.79Å; T186-C190 PolarHBondContact O-N 2.75Å; T186-C190 PolarHBondContact O-SG 2.96Å; L187-C190 WeakPolarHBondContact O-CB 3.32Å; L187-C190 PolarHBondContact O-N 3.2Å; C190-H193 PolarHBondContact O-N 2.93Å; C190-S194 PolarHBondContact O-N 3.33Å; C190-S194 PolarHBondContact O-OG 2.91Å
191L86.2Confident84Confident9 Ų961.4 Ų61.45%0.04733%0.326CS..Hα-helixtrans-67.2-40.3179-68.7168.4000112.1L26 V31 R109 V111 L187 E189 H193L26-L191 HydrophobicContact CD2-CD1 4.34Å; V31-L191 HydrophobicContact CG1-CD1 3.94Å; V31-L191 HydrophobicContact CG2-CD1 4.18Å; R109-L191 HydrophobicContact CB-CD2 3.72Å; R109-L191 WeakPolarHBondContact CD-O 3.23Å; R109-L191 PolarHBondContact NE-O 2.9Å; V111-L191 HydrophobicContact CG2-CD1 3.93Å; V111-L191 HydrophobicContact CG2-CD2 3.84Å; V111-L191 HydrophobicContact CG2-CG 4.28Å; L187-L191 WeakPolarHBondContact O-CB 3.31Å; L187-L191 WeakPolarHBondContact O-CG 3.35Å; L187-L191 PolarHBondContact O-N 2.93Å; E189-L191 PolarHBondContact O-N 3.12Å; L191-H193 VanDerWaalsContact C-N 3.26Å; L191-H193 PolarHBondContact O-N 3.33Å
192K79.5Confident83.5Confident132 Ų13256.6 Ų56.657%0.57431%0.307SS*.Hα-helixtrans-63.7-28.8178.3-74.4169.2-174.5175.50113.7Q188 E189Q188-K192 VanDerWaalsContact O-CG 3.29Å; Q188-K192 WeakPolarHBondContact O-CG 3.21Å; Q188-K192 PolarHBondContact O-N 3.43Å; Q188-K192 VanDerWaalsContact O-N 3.09Å; E189-K192 PolarHBondContact O-N 3.23Å; E189-K192 VanDerWaalsContact O-N 3.08Å
193H65Low82.6Confident117 Ų11754.5 Ų54.554%0.54230%0.296SS..THydrogen-bonded Turntrans-102.32.5-173.3-67.2-71.2000114.3M1 E189 C190 L191 S195M1-H193 HydrophobicContact CE-CB 4.39Å; M1-H193 WeakPolarHBondContact CE-CD2 3.41Å; M1-H193 WeakPolarHBondContact CE-NE2 3.1Å; M1-H193 HydrophobicContact SD-CB 4.07Å; E189-H193 PolarHBondContact O-CD2 3.37Å; E189-H193 PolarHBondContact O-N 2.66Å; C190-H193 PolarHBondContact O-N 2.93Å; L191-H193 VanDerWaalsContact C-N 3.26Å; L191-H193 PolarHBondContact O-N 3.33Å; H193-S195 PolarHBondContact O-N 2.61Å
194S56Low81.5Confident53 Ų5358.9 Ų58.937%0.37132%0.32SS..  trans-89.118.9170.2-55.30000111.9C190C190-S194 PolarHBondContact O-N 3.33Å; C190-S194 PolarHBondContact O-OG 2.91Å
195S45.1Very low80.4Confident123 Ų12362.5 Ų62.586%0.8634%0.34SS*.  trans-113.50-179.3-60.50000111.5R109 H193R109-S195 PolarHBondContact NE-OG 3.33Å; R109-S195 PolarHBondContact NH2-OG 3.28Å; H193-S195 PolarHBondContact O-N 2.61Å

Retrieved 195 of 195 residues in 42.6 ms (Link to these results)

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