A0A087XEF4_POEFO Loading...

Peptidyl-prolyl cis-trans isomerase

PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.

AlphaFold DB , UniProt , Accession A0A087XEF4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 472 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
1M81.5Confident91.4Very high68 Ų6836.9 Ų36.934%0.33521%0.208SC..  0122.70-57.2-177.5-17900107D15 L16 T18 D163 P165M1-D15 PolarHBondContact N-OD1 3.44Å; M1-L16 PolarHBondContact O-N 3.34Å; M1-T18 HydrophobicContact CB-CG2 4.31Å; M1-T18 HydrophobicContact CG-CG2 4.42Å; M1-T18 HydrophobicContact SD-CG2 3.69Å; M1-T18 PolarHBondContact SD-OG1 3.08Å; M1-D163 HydrophobicContact CB-CB 4.44Å; M1-D163 VanDerWaalsContact CG-OD2 3.31Å; M1-D163 WeakPolarHBondContact CG-OD2 3.41Å; M1-P165 HydrophobicContact CE-CB 3.88Å; M1-P165 HydrophobicContact CE-CG 4.15Å; M1-P165 HydrophobicContact SD-CB 3.64Å; M1-P165 VanDerWaalsContact SD-CD 3.54Å; M1-P165 HydrophobicContact SD-CG 3.35Å; M1-P165 WeakPolarHBondContact SD-CG 3.45Å
2A89Confident91.7Very high14 Ų1434.2 Ų34.212%0.11619%0.193CC..EExtended strand (participates in β ladder)trans-110.8144.5-154.400000114.7V13 I14 L162 D163A2-V13 HydrophobicContact CB-CG1 4Å; A2-I14 WeakPolarHBondContact CA-O 3.12Å; A2-L162 HydrophobicContact CB-CB 4.31Å; A2-L162 HydrophobicContact CB-CD1 3.93Å; A2-L162 WeakPolarHBondContact O-CB 3.12Å; A2-L162 PolarHBondContact O-N 2.88Å; A2-D163 PolarHBondContact O-N 2.94Å
3V93.4Very high92Very high0 Ų032.8 Ų32.80%019%0.185CC..EExtended strand (participates in β ladder)trans-123.5128.8168.4179.90000108.9L5 I14 L16 F28 L29 C32 V161V3-L5 HydrophobicContact CG1-CD2 4.03Å; V3-I14 PolarHBondContact N-O 3.31Å; V3-I14 PolarHBondContact O-N 3.26Å; V3-L16 HydrophobicContact CG2-CD1 3.94Å; V3-F28 HydrophobicContact CB-CE1 4.01Å; V3-F28 HydrophobicContact CG1-CE1 4.07Å; V3-F28 HydrophobicContact CG2-CD1 4.33Å; V3-F28 HydrophobicContact CG2-CE1 3.98Å; V3-L29 HydrophobicContact CG2-CD2 3.58Å; V3-C32 HydrophobicContact CG1-CB 4.37Å; V3-V161 HydrophobicContact CG2-CG2 4.3Å
4L94.1Very high92.3Very high35 Ų3530.4 Ų30.418%0.18317%0.172CC..EExtended strand (participates in β ladder)trans-88.7127.2170.6-177.274000109E6 D11 V13 T159 V160 L162L4-E6 HydrophobicContact CD2-CG 4.25Å; L4-E6 HydrophobicContact CG-CG 4.44Å; L4-D11 HydrophobicContact CD1-CB 3.97Å; L4-V13 HydrophobicContact CD1-CG2 3.7Å; L4-T159 WeakPolarHBondContact O-CA 3.42Å; L4-V160 HydrophobicContact CB-CB 4.21Å; L4-V160 HydrophobicContact CD2-CB 4.33Å; L4-V160 PolarHBondContact N-O 3.03Å; L4-V160 PolarHBondContact O-N 2.9Å; L4-L162 HydrophobicContact CB-CD1 4.37Å; L4-L162 HydrophobicContact CB-CD2 4.4Å; L4-L162 HydrophobicContact CB-CG 4.38Å
5L94.3Very high92.5Very high4 Ų431.7 Ų31.72%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-108.2109.6168-54.4-176.5000108V3 T7 I12 I14 F28 F108 I156 T159V3-L5 HydrophobicContact CG1-CD2 4.03Å; L5-T7 HydrophobicContact CB-CG2 4.41Å; L5-T7 PolarHBondContact O-N 2.61Å; L5-I12 PolarHBondContact N-O 3.19Å; L5-I12 PolarHBondContact O-N 2.98Å; L5-I14 HydrophobicContact CD1-CD1 3.56Å; L5-I14 HydrophobicContact CG-CD1 4.19Å; L5-F28 HydrophobicContact CD2-CZ 4.48Å; L5-F108 HydrophobicContact CD1-CE2 4.39Å; L5-F108 HydrophobicContact CD1-CZ 4.12Å; L5-I156 HydrophobicContact CD1-CD1 4.45Å; L5-T159 HydrophobicContact CD2-CG2 3.49Å; L5-T159 VanDerWaalsContact CD2-CG2 3.49Å
6E92.9Very high92.6Very high64 Ų6430.3 Ų30.330%0.29917%0.17SC..EExtended strand (participates in β ladder)trans-79.8110.4171.8-63.4173.2-157.100107.3L4 N157 H158L4-E6 HydrophobicContact CD2-CG 4.25Å; L4-E6 HydrophobicContact CG-CG 4.44Å; E6-N157 PolarHBondContact O-N 3.38Å; E6-H158 HydrophobicContact CB-CB 4.24Å; E6-H158 HydrophobicContact CG-CB 4.44Å; E6-H158 PolarHBondContact N-O 2.84Å; E6-H158 PolarHBondContact O-N 2.78Å; E6-H158 WeakPolarHBondContact OE2-CB 3.33Å; E6-H158 IonicContact OE2-CD2 2.88Å; E6-H158 PolarHBondContact OE2-CD2 2.84Å; E6-H158 IonicContact OE2-CG 2.71Å
7T92.5Very high92.6Very high11 Ų1131.1 Ų31.17%0.06717%0.171CC..EExtended strand (participates in β ladder)trans-109.9164.1-179.883.50000111.7L5 L9 G10 I12 R155L5-T7 HydrophobicContact CB-CG2 4.41Å; L5-T7 PolarHBondContact O-N 2.61Å; T7-L9 PolarHBondContact O-N 2.94Å; T7-L9 VanDerWaalsContact O-N 3.08Å; T7-L9 PolarHBondContact OG1-N 3.05Å; T7-G10 WeakPolarHBondContact CA-O 3.22Å; T7-G10 WeakPolarHBondContact CB-O 3.46Å; T7-G10 PolarHBondContact N-O 3.32Å; T7-G10 PolarHBondContact O-N 2.87Å; T7-G10 PolarHBondContact OG1-O 2.89Å; T7-I12 HydrophobicContact CG2-CD1 4.2Å; T7-I12 HydrophobicContact CG2-CG1 4.45Å; T7-R155 VanDerWaalsContact CA-O 3.27Å; T7-R155 WeakPolarHBondContact CA-O 3.45Å; T7-R155 WeakPolarHBondContact CB-O 3.49Å
8T90.3Very high92.5Very high36 Ų3630.2 Ų30.222%0.22117%0.167CC..THydrogen-bonded Turntrans-62.2-16178.855.30000114.3R155 N157 A193T8-R155 HydrophobicContact CG2-CB 3.81Å; T8-R155 PolarHBondContact N-O 3.03Å; T8-R155 PolarHBondContact OG1-N 3.26Å; T8-N157 WeakPolarHBondContact CG2-OD1 3.38Å; T8-A193 HydrophobicContact CG2-CB 3.5Å; T8-A193 VanDerWaalsContact CG2-CB 3.5Å
9L89.8Confident92.3Very high58 Ų5837.8 Ų37.830%0.30420%0.201SC..THydrogen-bonded Turntrans-1064.4176.3-63.4178.8000113.9T7 V135 K138 I139 I154T7-L9 PolarHBondContact O-N 2.94Å; T7-L9 VanDerWaalsContact O-N 3.08Å; T7-L9 PolarHBondContact OG1-N 3.05Å; L9-V135 HydrophobicContact CB-CG1 3.99Å; L9-K138 HydrophobicContact CD1-CB 4.26Å; L9-I139 HydrophobicContact CD1-CG1 3.85Å; L9-I154 HydrophobicContact CD1-CD1 3.75Å; L9-I154 HydrophobicContact CD1-CG1 3.99Å; L9-I154 HydrophobicContact CD1-CG2 4.08Å; L9-I154 HydrophobicContact CG-CG2 4.27Å
10G92.6Very high92.2Very high25 Ų2539.7 Ų39.726%0.25821%0.209SC..EExtended strand (participates in β ladder)trans123.1-174.1-177.500000113.4T7T7-G10 WeakPolarHBondContact CA-O 3.22Å; T7-G10 WeakPolarHBondContact CB-O 3.46Å; T7-G10 PolarHBondContact N-O 3.32Å; T7-G10 PolarHBondContact O-N 2.87Å; T7-G10 PolarHBondContact OG1-O 2.89Å
11D94.6Very high92.1Very high91 Ų9138.1 Ų38.149%0.48720%0.2SC..EExtended strand (participates in β ladder)trans-94.3144.4-169.9-54.1-39.6000113L4 G132L4-D11 HydrophobicContact CD1-CB 3.97Å; D11-G132 VanDerWaalsContact O-CA 3.31Å; D11-G132 WeakPolarHBondContact O-CA 3.49Å
12I95.8Very high92.6Very high4 Ų437.4 Ų37.42%0.02120%0.2CC..EExtended strand (participates in β ladder)trans-128.6126.5176.8-56.2179.3000109.2L5 T7 I14 V129 V135 I139L5-I12 PolarHBondContact N-O 3.19Å; L5-I12 PolarHBondContact O-N 2.98Å; T7-I12 HydrophobicContact CG2-CD1 4.2Å; T7-I12 HydrophobicContact CG2-CG1 4.45Å; I12-I14 HydrophobicContact CG2-CG1 4.27Å; I12-V129 HydrophobicContact CG2-CG1 3.77Å; I12-V129 HydrophobicContact CG2-CG2 3.96Å; I12-V135 HydrophobicContact CD1-CB 4.36Å; I12-V135 HydrophobicContact CD1-CG1 4.03Å; I12-V135 HydrophobicContact CG1-CB 4.01Å; I12-V135 HydrophobicContact CG1-CG1 3.97Å; I12-I139 HydrophobicContact CD1-CD1 4.05Å
13V95.6Very high92.6Very high16 Ų1642.1 Ų42.110%0.09722%0.218CC..EExtended strand (participates in β ladder)trans-102.7124.2174.9-176.70000109.3A2 L4 V129 T130 E131A2-V13 HydrophobicContact CB-CG1 4Å; L4-V13 HydrophobicContact CD1-CG2 3.7Å; V13-V129 CarbonylContact O-C 3.43Å; V13-V129 WeakPolarHBondContact O-CA 3.26Å; V13-T130 PolarHBondContact O-N 3.38Å; V13-E131 HydrophobicContact CB-CB 3.95Å; V13-E131 HydrophobicContact CB-CG 4.49Å; V13-E131 HydrophobicContact CG2-CB 3.93Å; V13-E131 PolarHBondContact N-O 3.04Å
14I95.6Very high92.6Very high0 Ų042.1 Ų42.10%022%0.218CC..EExtended strand (participates in β ladder)trans-112.9121.6177.4-57.9171.9000108.9A2 V3 L5 I12 L16 F28 V94 I110 V129A2-I14 WeakPolarHBondContact CA-O 3.12Å; V3-I14 PolarHBondContact N-O 3.31Å; V3-I14 PolarHBondContact O-N 3.26Å; L5-I14 HydrophobicContact CD1-CD1 3.56Å; L5-I14 HydrophobicContact CG-CD1 4.19Å; I12-I14 HydrophobicContact CG2-CG1 4.27Å; I14-L16 HydrophobicContact CG2-CD2 3.84Å; I14-F28 HydrophobicContact CD1-CZ 4.32Å; I14-V94 HydrophobicContact CD1-CG1 4.44Å; I14-V94 HydrophobicContact CD1-CG2 4.17Å; I14-V94 HydrophobicContact CG1-CG2 4.23Å; I14-V94 HydrophobicContact CG2-CB 4.29Å; I14-V94 HydrophobicContact CG2-CG2 3.81Å; I14-I110 HydrophobicContact CD1-CD1 4.47Å; I14-V129 HydrophobicContact CG1-CG2 4.15Å
15D94.8Very high92.5Very high50 Ų5040.4 Ų40.427%0.26721%0.21SC..EExtended strand (participates in β ladder)trans-89.7130.3168.2-97.2-69.5000111.1M1 G127 E128 T130M1-D15 PolarHBondContact N-OD1 3.44Å; D15-G127 CarbonylContact O-C 3.59Å; D15-G127 WeakPolarHBondContact O-CA 3.29Å; D15-E128 PolarHBondContact N-O 2.8Å; D15-E128 PolarHBondContact O-N 3.09Å; D15-T130 HydrophobicContact CB-CG2 3.95Å; D15-T130 WeakPolarHBondContact OD2-CG2 3.41Å; D15-T130 PolarHBondContact OD2-OG1 2.82Å
16L94.1Very high92.3Very high8 Ų842.2 Ų42.24%0.04222%0.219CC..EExtended strand (participates in β ladder)trans-99.3137.9-174.1-54.3177.8000112.3M1 V3 I14 T18 F28 L29 F126M1-L16 PolarHBondContact O-N 3.34Å; V3-L16 HydrophobicContact CG2-CD1 3.94Å; I14-L16 HydrophobicContact CG2-CD2 3.84Å; L16-T18 VanDerWaalsContact C-N 3.26Å; L16-T18 HydrophobicContact CB-CG2 4.03Å; L16-T18 PolarHBondContact O-N 3.16Å; L16-F28 HydrophobicContact CD1-CD1 3.94Å; L16-F28 HydrophobicContact CD2-CD1 3.92Å; L16-F28 HydrophobicContact CD2-CE1 4.11Å; L16-L29 HydrophobicContact CD1-CD1 3.91Å; L16-L29 HydrophobicContact CD1-CD2 3.71Å; L16-L29 HydrophobicContact CD1-CG 3.55Å; L16-F126 WeakPolarHBondContact CA-O 3.31Å; L16-F126 HydrophobicContact CD2-CD2 3.79Å; L16-F126 HydrophobicContact CD2-CE2 3.71Å
17F93.3Very high92.3Very high44 Ų4439.2 Ų39.219%0.19321%0.205CC..  trans-83.161.6176.9-59.5-45.5000111.3E19 E20 R21 I86 V125 F126 G127 E128F17-E19 VanDerWaalsContact C-N 3.26Å; F17-E19 PolarHBondContact O-N 2.74Å; F17-E20 HydrophobicContact CB-CB 4.29Å; F17-E20 WeakPolarHBondContact CB-OE2 3.49Å; F17-E20 PolarHBondContact O-N 2.6Å; F17-R21 WeakPolarHBondContact O-CA 3.36Å; F17-R21 WeakPolarHBondContact O-CB 3.49Å; F17-R21 PolarHBondContact O-N 2.85Å; F17-I86 HydrophobicContact CB-CD1 4.33Å; F17-I86 HydrophobicContact CD2-CD1 3.69Å; F17-I86 HydrophobicContact CE2-CD1 4.29Å; F17-I86 HydrophobicContact CE2-CG2 4.39Å; F17-I86 HydrophobicContact CG-CD1 4.15Å; F17-V125 HydrophobicContact CD2-CG1 4.14Å; F17-V125 HydrophobicContact CE2-CG1 3.85Å; F17-F126 PolarHBondContact N-O 3.17Å; F17-G127 VanDerWaalsContact CE2-C 3.44Å; F17-E128 HydrophobicContact CE1-CG 4.36Å; F17-E128 HydrophobicContact CZ-CB 4.13Å; F17-E128 HydrophobicContact CZ-CG 3.84Å
18T90.1Very high92.3Very high16 Ų1638.7 Ų38.710%0.09820%0.202CC..THydrogen-bonded Turntrans-64.8-24.1-170.651.10000114.6M1 L16 P22 P165 F166M1-T18 HydrophobicContact CB-CG2 4.31Å; M1-T18 HydrophobicContact CG-CG2 4.42Å; M1-T18 HydrophobicContact SD-CG2 3.69Å; M1-T18 PolarHBondContact SD-OG1 3.08Å; L16-T18 VanDerWaalsContact C-N 3.26Å; L16-T18 HydrophobicContact CB-CG2 4.03Å; L16-T18 PolarHBondContact O-N 3.16Å; T18-P22 WeakPolarHBondContact O-CA 3.32Å; T18-P165 HydrophobicContact CG2-CG 4.21Å; T18-F166 HydrophobicContact CG2-CE2 3.98Å; T18-F166 HydrophobicContact CG2-CZ 4.27Å
19E89.8Confident92.4Very high174 Ų17437 Ų3781%0.81319%0.191SC*.THydrogen-bonded Turntrans-77.7-39.7175.1-63.8-171.8-17100111.4F17F17-E19 VanDerWaalsContact C-N 3.26Å; F17-E19 PolarHBondContact O-N 2.74Å
20E89.8Confident92.5Very high75 Ų7534.2 Ų34.235%0.3518%0.177SC..THydrogen-bonded Turntrans-82.9-21.6178.6-58.895.6145.100113.9F17 P84 I86F17-E20 HydrophobicContact CB-CB 4.29Å; F17-E20 WeakPolarHBondContact CB-OE2 3.49Å; F17-E20 PolarHBondContact O-N 2.6Å; E20-P84 HydrophobicContact CB-CG 3.73Å; E20-P84 HydrophobicContact CG-CG 3.64Å; E20-I86 HydrophobicContact CB-CD1 4.11Å; E20-I86 HydrophobicContact CG-CD1 4.41Å
21R90.4Very high92.4Very high7 Ų733 Ų333%0.02617%0.165CC..  trans-138.951.6-170.9-67.2-69.6180-98.66.1113.7F17 K23 T24 S25 E81 V83 P84 T124 V125 F126F17-R21 WeakPolarHBondContact O-CA 3.36Å; F17-R21 WeakPolarHBondContact O-CB 3.49Å; F17-R21 PolarHBondContact O-N 2.85Å; R21-K23 VanDerWaalsContact C-N 3.35Å; R21-K23 PolarHBondContact O-N 3.44Å; R21-T24 PolarHBondContact O-N 3.32Å; R21-S25 VanDerWaalsContact O-CB 3.32Å; R21-S25 WeakPolarHBondContact O-CB 3.19Å; R21-S25 PolarHBondContact O-N 3.23Å; R21-S25 PolarHBondContact O-OG 3.01Å; R21-S25 VanDerWaalsContact O-OG 3.12Å; R21-E81 VanDerWaalsContact CA-OE2 3.28Å; R21-E81 WeakPolarHBondContact CA-OE2 3.06Å; R21-E81 PolarHBondContact NE-O 3.5Å; R21-E81 PolarHBondContact NH1-O 3.31Å; R21-E81 PolarHBondContact NH2-O 3.37Å; R21-V83 PolarHBondContact NH1-O 3.09Å; R21-P84 PolarHBondContact NH1-O 3.3Å; R21-P84 PolarHBondContact NH2-O 3.17Å; R21-T124 VanDerWaalsContact NE-CG2 3.29Å; R21-V125 WeakPolarHBondContact CG-O 3.43Å; R21-V125 PolarHBondContact NE-O 2.91Å; R21-F126 HydrophobicContact CB-CB 4.04Å; R21-F126 HydrophobicContact CG-CB 4.03Å
22P91Very high92.2Very high53 Ų5328.7 Ų28.734%0.34414%0.141SC..Hα-helixtrans-59.1-40.6-172.923.9-34000113.2T18 L26 E81 F166T18-P22 WeakPolarHBondContact O-CA 3.32Å; P22-L26 WeakPolarHBondContact O-CB 3.48Å; P22-L26 PolarHBondContact O-N 3.29Å; P22-E81 WeakPolarHBondContact CD-OE1 3.13Å; P22-F166 HydrophobicContact CB-CE1 4.26Å; P22-F166 HydrophobicContact CB-CZ 4.28Å
23K90.4Very high91.9Very high113 Ų11330.6 Ų30.649%0.49115%0.149SC..Hα-helixtrans-72.2-43.8178.5-60.7176.7179.5-176.50111.9R21 N27 E81R21-K23 VanDerWaalsContact C-N 3.35Å; R21-K23 PolarHBondContact O-N 3.44Å; K23-N27 WeakPolarHBondContact O-CB 3.31Å; K23-N27 PolarHBondContact O-N 2.96Å; K23-E81 HydrophobicContact CB-CG 4.27Å; K23-E81 WeakPolarHBondContact CB-OE1 3.41Å; K23-E81 HydrophobicContact CD-CG 4.32Å; K23-E81 WeakPolarHBondContact CG-OE1 3.47Å; K23-E81 PolarHBondContact N-OE1 3.3Å; K23-E81 VanDerWaalsContact N-OE1 3.14Å; K23-E81 PolarHBondContact N-OE2 2.69Å; K23-E81 VanDerWaalsContact N-OE2 3.07Å
24T91.8Very high91.5Very high0 Ų031 Ų310%015%0.151CC..Hα-helixtrans-67.1-45-177.7-53.20000111.5R21 N27 F28 F78 E81 M96 F126R21-T24 PolarHBondContact O-N 3.32Å; T24-N27 PolarHBondContact O-N 3.38Å; T24-F28 PolarHBondContact O-N 3.05Å; T24-F78 HydrophobicContact CG2-CZ 4.34Å; T24-E81 PolarHBondContact N-OE2 2.85Å; T24-E81 PolarHBondContact OG1-OE2 3Å; T24-M96 HydrophobicContact CG2-CG 3.32Å; T24-M96 HydrophobicContact CG2-SD 4.16Å; T24-F126 HydrophobicContact CG2-CB 3.59Å; T24-F126 HydrophobicContact CG2-CD1 3.77Å; T24-F126 HydrophobicContact CG2-CD2 4.25Å; T24-F126 HydrophobicContact CG2-CG 3.6Å
25S92.3Very high91.2Very high0 Ų032.8 Ų32.80%016%0.159CC..Hα-helixtrans-67.4-38.9176.6-57.80000112R21 F28 L29R21-S25 VanDerWaalsContact O-CB 3.32Å; R21-S25 WeakPolarHBondContact O-CB 3.19Å; R21-S25 PolarHBondContact O-N 3.23Å; R21-S25 PolarHBondContact O-OG 3.01Å; R21-S25 VanDerWaalsContact O-OG 3.12Å; S25-F28 PolarHBondContact O-N 3.26Å; S25-L29 WeakPolarHBondContact O-CB 3.36Å; S25-L29 WeakPolarHBondContact O-CD1 3.45Å; S25-L29 VanDerWaalsContact O-CG 3.29Å; S25-L29 WeakPolarHBondContact O-CG 3.25Å; S25-L29 PolarHBondContact O-N 3.46Å
26L91.8Very high90.9Very high42 Ų4232.4 Ų32.422%0.2215%0.154CC..Hα-helixtrans-59.4-48.5172.5-176.1159.9000110.9P22 F28 L29 K30 V66 F67 F166P22-L26 WeakPolarHBondContact O-CB 3.48Å; P22-L26 PolarHBondContact O-N 3.29Å; L26-F28 VanDerWaalsContact C-N 3.33Å; L26-F28 PolarHBondContact O-N 2.61Å; L26-L29 PolarHBondContact O-N 3.25Å; L26-K30 HydrophobicContact CD2-CG 3.91Å; L26-K30 HydrophobicContact CG-CG 4.25Å; L26-K30 WeakPolarHBondContact O-CG 3.5Å; L26-K30 PolarHBondContact O-N 2.93Å; L26-V66 HydrophobicContact CD2-CG1 4.41Å; L26-F67 HydrophobicContact CD2-CE1 4.09Å; L26-F67 HydrophobicContact CD2-CZ 4.1Å; L26-F166 HydrophobicContact CB-CD2 3.96Å; L26-F166 HydrophobicContact CB-CE2 4.08Å; L26-F166 HydrophobicContact CB-CG 4.24Å; L26-F166 HydrophobicContact CB-CZ 4.48Å; L26-F166 HydrophobicContact CD1-CB 4.18Å; L26-F166 HydrophobicContact CD1-CD1 4.17Å; L26-F166 HydrophobicContact CD1-CG 4.07Å; L26-F166 HydrophobicContact CG-CB 4.4Å; L26-F166 HydrophobicContact CG-CD2 4.34Å; L26-F166 HydrophobicContact CG-CG 4.25Å
27N91.9Very high90.8Very high0 Ų032 Ų320%015%0.152CC..Hα-helixtrans-54.5-49.1176.2175.472.8000111.5K23 T24 L31 S65 V66 F67 F78 G105K23-N27 WeakPolarHBondContact O-CB 3.31Å; K23-N27 PolarHBondContact O-N 2.96Å; T24-N27 PolarHBondContact O-N 3.38Å; N27-L31 WeakPolarHBondContact O-CB 3.44Å; N27-L31 WeakPolarHBondContact O-CD1 3.42Å; N27-L31 WeakPolarHBondContact O-CG 3.44Å; N27-L31 PolarHBondContact O-N 3.06Å; N27-S65 WeakPolarHBondContact OD1-CA 3.47Å; N27-S65 WeakPolarHBondContact OD1-CB 3.48Å; N27-V66 HydrophobicContact CB-CG1 4.39Å; N27-V66 PolarHBondContact OD1-N 3.05Å; N27-F67 HydrophobicContact CB-CE2 4.15Å; N27-F78 HydrophobicContact CB-CE1 3.87Å; N27-F78 HydrophobicContact CB-CZ 3.96Å; N27-F78 VanDerWaalsContact CG-CE1 3.49Å; N27-F78 WeakPolarHBondContact ND2-CE1 3.41Å; N27-G105 PolarHBondContact ND2-O 2.85Å
28F93.4Very high90.6Very high0 Ų030.3 Ų30.30%014%0.144CC..Hα-helixtrans-62.1-50.6178.5-174.2-98.2000112.6V3 L5 I14 L16 T24 S25 L26 K30 L31 C32 Y37 F108 F126V3-F28 HydrophobicContact CB-CE1 4.01Å; V3-F28 HydrophobicContact CG1-CE1 4.07Å; V3-F28 HydrophobicContact CG2-CD1 4.33Å; V3-F28 HydrophobicContact CG2-CE1 3.98Å; L5-F28 HydrophobicContact CD2-CZ 4.48Å; I14-F28 HydrophobicContact CD1-CZ 4.32Å; L16-F28 HydrophobicContact CD1-CD1 3.94Å; L16-F28 HydrophobicContact CD2-CD1 3.92Å; L16-F28 HydrophobicContact CD2-CE1 4.11Å; T24-F28 PolarHBondContact O-N 3.05Å; S25-F28 PolarHBondContact O-N 3.26Å; L26-F28 VanDerWaalsContact C-N 3.33Å; L26-F28 PolarHBondContact O-N 2.61Å; F28-K30 PolarHBondContact O-N 3.12Å; F28-L31 PolarHBondContact O-N 2.92Å; F28-C32 PolarHBondContact O-N 3.01Å; F28-C32 PolarHBondContact O-SG 3.46Å; F28-Y37 AromaticContact CD2-CE2 3.85Å; F28-Y37 HydrophobicContact CD2-CE2 3.85Å; F28-Y37 AromaticContact CE2-CE2 3.88Å; F28-Y37 HydrophobicContact CE2-CE2 3.88Å; F28-F108 HydrophobicContact CD2-CD1 4.41Å; F28-F108 AromaticContact CE2-CD1 3.91Å; F28-F108 HydrophobicContact CE2-CD1 3.91Å; F28-F108 AromaticContact CE2-CE1 3.73Å; F28-F108 HydrophobicContact CE2-CE1 3.73Å; F28-F108 HydrophobicContact CE2-CE2 4.38Å; F28-F108 HydrophobicContact CE2-CG 4.33Å; F28-F108 AromaticContact CE2-CZ 3.97Å; F28-F108 HydrophobicContact CE2-CZ 3.97Å; F28-F108 HydrophobicContact CZ-CZ 4.49Å; F28-F126 HydrophobicContact CB-CD2 4.48Å; F28-F126 HydrophobicContact CB-CE2 3.8Å; F28-F126 HydrophobicContact CB-CZ 4.39Å; F28-F126 AromaticContact CD1-CE2 3.98Å; F28-F126 HydrophobicContact CD1-CE2 3.98Å; F28-F126 AromaticContact CD2-CE2 3.73Å; F28-F126 HydrophobicContact CD2-CE2 3.73Å; F28-F126 AromaticContact CD2-CZ 3.68Å; F28-F126 HydrophobicContact CD2-CZ 3.68Å; F28-F126 HydrophobicContact CE1-CE2 4.48Å; F28-F126 HydrophobicContact CE2-CE2 4.28Å; F28-F126 HydrophobicContact CE2-CZ 4.08Å; F28-F126 AromaticContact CG-CE2 3.57Å; F28-F126 HydrophobicContact CG-CE2 3.57Å; F28-F126 HydrophobicContact CG-CZ 4.03Å
29L92.2Very high90.4Very high0 Ų032.2 Ų32.20%015%0.15CC..Hα-helixtrans-58.9-45.2-180-76.6162.7000112.5V3 L16 S25 L26 C32 K33 V161 F166V3-L29 HydrophobicContact CG2-CD2 3.58Å; L16-L29 HydrophobicContact CD1-CD1 3.91Å; L16-L29 HydrophobicContact CD1-CD2 3.71Å; L16-L29 HydrophobicContact CD1-CG 3.55Å; S25-L29 WeakPolarHBondContact O-CB 3.36Å; S25-L29 WeakPolarHBondContact O-CD1 3.45Å; S25-L29 VanDerWaalsContact O-CG 3.29Å; S25-L29 WeakPolarHBondContact O-CG 3.25Å; S25-L29 PolarHBondContact O-N 3.46Å; L26-L29 PolarHBondContact O-N 3.25Å; L29-C32 WeakPolarHBondContact O-CB 3.45Å; L29-C32 PolarHBondContact O-N 3.27Å; L29-K33 PolarHBondContact O-N 3.21Å; L29-V161 HydrophobicContact CD2-CG1 3.53Å; L29-V161 HydrophobicContact CD2-CG2 4.28Å; L29-F166 HydrophobicContact CD1-CD2 3.74Å; L29-F166 HydrophobicContact CD1-CE2 3.82Å
30K90.8Very high90.4Very high0 Ų024 Ų240%011%0.112CC..Hα-helixtrans-71.7-31.9179.6-56.2-44.1177.8-173.70112.1L26 F28 K33 I34 V66 D164 F166 D167 D168 L172L26-K30 HydrophobicContact CD2-CG 3.91Å; L26-K30 HydrophobicContact CG-CG 4.25Å; L26-K30 WeakPolarHBondContact O-CG 3.5Å; L26-K30 PolarHBondContact O-N 2.93Å; F28-K30 PolarHBondContact O-N 3.12Å; K30-K33 HydrophobicContact CD-CD 4.21Å; K30-K33 PolarHBondContact O-N 2.97Å; K30-I34 PolarHBondContact O-N 3.34Å; K30-V66 HydrophobicContact CB-CB 4.31Å; K30-V66 HydrophobicContact CB-CG1 4.31Å; K30-V66 HydrophobicContact CB-CG2 3.79Å; K30-D164 IonicContact NZ-OD1 2.75Å; K30-D164 PolarHBondContact NZ-OD1 3.43Å; K30-D164 IonicContact NZ-OD2 3.81Å; K30-D164 PolarHBondContact NZ-OD2 2.91Å; K30-F166 PolarHBondContact NZ-O 2.96Å; K30-D167 WeakPolarHBondContact CE-O 3.34Å; K30-D167 PolarHBondContact NZ-O 3.29Å; K30-D167 VanDerWaalsContact NZ-O 3.17Å; K30-D168 WeakPolarHBondContact CD-OD1 3.19Å; K30-D168 WeakPolarHBondContact CE-OD1 3.12Å; K30-D168 IonicContact NZ-OD1 3.52Å; K30-D168 PolarHBondContact NZ-OD1 2.79Å; K30-L172 HydrophobicContact CB-CD2 4.14Å; K30-L172 HydrophobicContact CD-CD2 4.35Å; K30-L172 HydrophobicContact CG-CD2 4.5Å
31L91.4Very high90.4Very high1 Ų121.9 Ų21.91%0.00510%0.103CC..Hα-helixtrans-64.6-38.5170-71.4171.7000112.2N27 F28 I34 K35 Y36 Y37 V66N27-L31 WeakPolarHBondContact O-CB 3.44Å; N27-L31 WeakPolarHBondContact O-CD1 3.42Å; N27-L31 WeakPolarHBondContact O-CG 3.44Å; N27-L31 PolarHBondContact O-N 3.06Å; F28-L31 PolarHBondContact O-N 2.92Å; L31-I34 HydrophobicContact CD2-CD1 4.16Å; L31-K35 PolarHBondContact O-N 3.4Å; L31-Y36 HydrophobicContact CD2-CD1 3.99Å; L31-Y36 HydrophobicContact CD2-CD2 3.94Å; L31-Y36 HydrophobicContact CD2-CE1 4.5Å; L31-Y36 HydrophobicContact CD2-CE2 4.44Å; L31-Y36 HydrophobicContact CD2-CG 3.68Å; L31-Y36 WeakPolarHBondContact O-CB 3.45Å; L31-Y36 PolarHBondContact O-N 2.95Å; L31-Y37 HydrophobicContact CB-CD2 4.28Å; L31-Y37 HydrophobicContact CB-CE2 3.6Å; L31-Y37 HydrophobicContact CD1-CE2 4.43Å; L31-Y37 VanDerWaalsContact CD1-OH 3.28Å; L31-Y37 WeakPolarHBondContact CD1-OH 3.38Å; L31-V66 HydrophobicContact CD2-CB 4.17Å; L31-V66 HydrophobicContact CG-CB 4.19Å
32C91.1Very high90.5Very high0 Ų022 Ų220%010%0.104CC..Hα-helixtrans-67.6-34.8171.2-64.90000113.1V3 F28 L29 K35 T159 V161V3-C32 HydrophobicContact CG1-CB 4.37Å; F28-C32 PolarHBondContact O-N 3.01Å; F28-C32 PolarHBondContact O-SG 3.46Å; L29-C32 WeakPolarHBondContact O-CB 3.45Å; L29-C32 PolarHBondContact O-N 3.27Å; C32-K35 PolarHBondContact O-N 3.25Å; C32-K35 PolarHBondContact O-NZ 2.63Å; C32-T159 PolarHBondContact O-OG1 3.44Å; C32-V161 HydrophobicContact CB-CG2 3.57Å
33K88.3Confident90.5Very high43 Ų4320.1 Ų20.119%0.1879%0.09CC..Hα-helixtrans-64.1-47174.2-84.1-176.6162174.40112.1L29 K30 K35 V161 D164 D168L29-K33 PolarHBondContact O-N 3.21Å; K30-K33 HydrophobicContact CD-CD 4.21Å; K30-K33 PolarHBondContact O-N 2.97Å; K33-K35 PolarHBondContact O-N 3.39Å; K33-V161 HydrophobicContact CG-CG2 4.28Å; K33-D164 WeakPolarHBondContact CE-OD2 3.44Å; K33-D164 IonicContact NZ-OD2 2.64Å; K33-D164 PolarHBondContact NZ-OD2 3Å; K33-D168 VanDerWaalsContact CD-OD1 3.22Å; K33-D168 WeakPolarHBondContact CD-OD1 3.38Å; K33-D168 IonicContact NZ-OD1 3.59Å; K33-D168 PolarHBondContact NZ-OD1 2.85Å; K33-D168 IonicContact NZ-OD2 3.57Å; K33-D168 PolarHBondContact NZ-OD2 3.47Å
34I88.1Confident90.6Very high24 Ų2415.7 Ų15.712%0.1237%0.072CC..THydrogen-bonded Turntrans-77.36.2177.272.7178.9000114.3K30 L31 Y36 L172 P173K30-I34 PolarHBondContact O-N 3.34Å; L31-I34 HydrophobicContact CD2-CD1 4.16Å; I34-Y36 HydrophobicContact CD1-CD2 4.47Å; I34-Y36 PolarHBondContact O-N 3.1Å; I34-L172 HydrophobicContact CG2-CD1 3.77Å; I34-L172 HydrophobicContact CG2-CD2 3.84Å; I34-L172 HydrophobicContact CG2-CG 3.54Å; I34-P173 WeakPolarHBondContact CG2-O 3.41Å
35K88.5Confident90.7Very high39 Ų3915.7 Ų15.717%0.177%0.072CC..THydrogen-bonded Turntrans6028.4-179.6-51.3-61.8162.2-1440114.4L31 C32 K33 Y37 N38 T159 P175 P179L31-K35 PolarHBondContact O-N 3.4Å; C32-K35 PolarHBondContact O-N 3.25Å; C32-K35 PolarHBondContact O-NZ 2.63Å; K33-K35 PolarHBondContact O-N 3.39Å; K35-Y37 PolarHBondContact O-N 3.06Å; K35-N38 HydrophobicContact CB-CB 4.42Å; K35-N38 WeakPolarHBondContact CB-OD1 3.47Å; K35-N38 WeakPolarHBondContact O-CB 3.49Å; K35-N38 PolarHBondContact O-N 3.49Å; K35-N38 VanDerWaalsContact O-N 3.15Å; K35-N38 PolarHBondContact O-OD1 3.34Å; K35-T159 PolarHBondContact NZ-O 2.97Å; K35-P175 HydrophobicContact CB-CG 4.39Å; K35-P175 HydrophobicContact CG-CG 3.98Å; K35-P179 HydrophobicContact CB-CG 4.44Å
36Y89.4Confident90.7Very high42 Ų4218 Ų1817%0.1658%0.083CC..THydrogen-bonded Turntrans-59.7-34-179.1-172-92.7000113.1L31 I34 P56 E64 S106L31-Y36 HydrophobicContact CD2-CD1 3.99Å; L31-Y36 HydrophobicContact CD2-CD2 3.94Å; L31-Y36 HydrophobicContact CD2-CE1 4.5Å; L31-Y36 HydrophobicContact CD2-CE2 4.44Å; L31-Y36 HydrophobicContact CD2-CG 3.68Å; L31-Y36 WeakPolarHBondContact O-CB 3.45Å; L31-Y36 PolarHBondContact O-N 2.95Å; I34-Y36 HydrophobicContact CD1-CD2 4.47Å; I34-Y36 PolarHBondContact O-N 3.1Å; Y36-P56 HydrophobicContact CD1-CG 3.88Å; Y36-P56 HydrophobicContact CE1-CG 3.3Å; Y36-P56 HydrophobicContact CE2-CG 4.16Å; Y36-P56 VanDerWaalsContact CZ-CG 3.48Å; Y36-E64 PolarHBondContact OH-N 3.12Å; Y36-S106 VanDerWaalsContact CE1-CB 3.45Å; Y36-S106 WeakPolarHBondContact CE1-OG 3.38Å
37Y91.1Very high90.7Very high0 Ų021.9 Ų21.90%010%0.095CC..THydrogen-bonded Turntrans-85.4-4.5-178.8-61.4-57.4000114.4F28 L31 K35 Y39 C40 S106 F108 I156F28-Y37 AromaticContact CD2-CE2 3.85Å; F28-Y37 HydrophobicContact CD2-CE2 3.85Å; F28-Y37 AromaticContact CE2-CE2 3.88Å; F28-Y37 HydrophobicContact CE2-CE2 3.88Å; L31-Y37 HydrophobicContact CB-CD2 4.28Å; L31-Y37 HydrophobicContact CB-CE2 3.6Å; L31-Y37 HydrophobicContact CD1-CE2 4.43Å; L31-Y37 VanDerWaalsContact CD1-OH 3.28Å; L31-Y37 WeakPolarHBondContact CD1-OH 3.38Å; K35-Y37 PolarHBondContact O-N 3.06Å; Y37-Y39 PolarHBondContact O-N 3.02Å; Y37-C40 VanDerWaalsContact O-CB 3.26Å; Y37-C40 WeakPolarHBondContact O-CB 3.49Å; Y37-C40 PolarHBondContact O-N 3.39Å; Y37-C40 VanDerWaalsContact O-N 3.1Å; Y37-S106 WeakPolarHBondContact CE1-O 3.23Å; Y37-S106 PolarHBondContact OH-O 3.27Å; Y37-S106 VanDerWaalsContact OH-O 3.07Å; Y37-F108 HydrophobicContact CD1-CE1 4.13Å; Y37-F108 HydrophobicContact CE1-CD1 4.15Å; Y37-F108 AromaticContact CE1-CE1 3.84Å; Y37-F108 HydrophobicContact CE1-CE1 3.84Å; Y37-F108 HydrophobicContact CE2-CE1 4.47Å; Y37-I156 WeakPolarHBondContact O-CB 3.21Å
38N88.9Confident90.7Very high7 Ų727.5 Ų27.54%0.03713%0.125CC..THydrogen-bonded Turntrans-66.9134178.7-71.850.5000110.6K35 C40 I156 N157 H158 T159 S178K35-N38 HydrophobicContact CB-CB 4.42Å; K35-N38 WeakPolarHBondContact CB-OD1 3.47Å; K35-N38 WeakPolarHBondContact O-CB 3.49Å; K35-N38 PolarHBondContact O-N 3.49Å; K35-N38 VanDerWaalsContact O-N 3.15Å; K35-N38 PolarHBondContact O-OD1 3.34Å; N38-C40 PolarHBondContact O-N 3.16Å; N38-I156 CarbonylContact C-O 3.59Å; N38-N157 PolarHBondContact ND2-O 2.8Å; N38-H158 PolarHBondContact ND2-ND1 3.33Å; N38-T159 PolarHBondContact OD1-OG1 3.28Å; N38-S178 WeakPolarHBondContact ND2-CB 3.42Å; N38-S178 PolarHBondContact ND2-OG 3.3Å; N38-S178 VanDerWaalsContact ND2-OG 3.14Å
39Y86.3Confident90.6Very high57 Ų5729.3 Ų29.322%0.22413%0.133CC..THydrogen-bonded Turntrans53.725-169-64.1-86.3000115Y37 I156 P181Y37-Y39 PolarHBondContact O-N 3.02Å; Y39-I156 WeakPolarHBondContact CA-O 3.39Å; Y39-I156 PolarHBondContact N-O 3.42Å; Y39-P181 HydrophobicContact CD1-CB 3.84Å; Y39-P181 HydrophobicContact CD1-CG 4.44Å; Y39-P181 HydrophobicContact CD2-CB 3.7Å; Y39-P181 HydrophobicContact CD2-CG 4.33Å; Y39-P181 HydrophobicContact CE1-CB 3.92Å; Y39-P181 HydrophobicContact CE1-CG 4.01Å; Y39-P181 HydrophobicContact CE2-CB 3.79Å; Y39-P181 HydrophobicContact CE2-CG 3.89Å; Y39-P181 HydrophobicContact CG-CB 3.72Å
40C89.8Confident90.7Very high0 Ų030 Ų300%014%0.136CC..EExtended strand (participates in β ladder)trans-71133.5166.1-79.70000111Y37 N38 P56 R155 I156Y37-C40 VanDerWaalsContact O-CB 3.26Å; Y37-C40 WeakPolarHBondContact O-CB 3.49Å; Y37-C40 PolarHBondContact O-N 3.39Å; Y37-C40 VanDerWaalsContact O-N 3.1Å; N38-C40 PolarHBondContact O-N 3.16Å; C40-P56 VanDerWaalsContact SG-CA 3.57Å; C40-R155 WeakPolarHBondContact O-CA 3.42Å; C40-I156 PolarHBondContact O-N 2.94Å
41L90.4Very high90.9Very high31 Ų3130 Ų3016%0.16214%0.136CC..EExtended strand (participates in β ladder)trans-80141.1175.3-75.5159.3000111.7H43 T53 D153 R155L41-H43 PolarHBondContact O-N 3.27Å; L41-H43 PolarHBondContact O-ND1 2.98Å; L41-T53 PolarHBondContact O-OG1 2.91Å; L41-T53 VanDerWaalsContact O-OG1 3.05Å; L41-D153 HydrophobicContact CD2-CB 3.82Å; L41-D153 VanDerWaalsContact CD2-CG 3.5Å; L41-R155 HydrophobicContact CD2-CG 3.68Å; L41-R155 HydrophobicContact CG-CG 4.4Å
42I92.3Very high91Very high9 Ų931.3 Ų31.35%0.04614%0.142CC..  trans-79.1101.9160.2-54.7-169.3000107.3V45 V51 I139 P150 I154I42-V45 HydrophobicContact CG2-CG2 3.49Å; I42-V45 VanDerWaalsContact CG2-CG2 3.49Å; I42-V51 HydrophobicContact CD1-CG1 4.07Å; I42-V51 HydrophobicContact CG2-CG1 3.58Å; I42-I139 HydrophobicContact CD1-CD1 3.94Å; I42-I139 HydrophobicContact CD1-CG1 4.5Å; I42-I139 HydrophobicContact CD1-CG2 4.21Å; I42-P150 WeakPolarHBondContact O-CD 3.49Å; I42-I154 HydrophobicContact CB-CB 4.26Å; I42-I154 HydrophobicContact CD1-CB 4.12Å; I42-I154 HydrophobicContact CD1-CG2 3.59Å; I42-I154 HydrophobicContact CG1-CB 4.28Å; I42-I154 HydrophobicContact CG1-CG2 4.17Å; I42-I154 PolarHBondContact N-O 2.94Å
43H90.1Very high91.1Very high14 Ų1431.5 Ų31.57%0.06514%0.143CC..  trans-101.1-5.7-166.757.1-94.9000114.2L41 Q52 G58 G60 V149L41-H43 PolarHBondContact O-N 3.27Å; L41-H43 PolarHBondContact O-ND1 2.98Å; H43-Q52 PolarHBondContact N-O 2.98Å; H43-G58 WeakPolarHBondContact CB-O 3.4Å; H43-G60 WeakPolarHBondContact NE2-CA 3.34Å; H43-V149 WeakPolarHBondContact O-CG2 3.45Å
44N92.6Very high91.2Very high21 Ų2129.4 Ų29.411%0.11213%0.134CC..EExtended strand (participates in β ladder)trans-149.4117.2176.3167.133000109.3Q46 Q52 F148N44-Q46 WeakPolarHBondContact OD1-CG 3.06Å; N44-Q46 PolarHBondContact OD1-NE2 3.01Å; N44-Q52 HydrophobicContact CB-CB 4.12Å; N44-Q52 PolarHBondContact ND2-OE1 2.94Å; N44-Q52 PolarHBondContact O-N 2.93Å; N44-F148 WeakPolarHBondContact CA-O 3.35Å; N44-F148 VanDerWaalsContact OD1-CB 3.26Å; N44-F148 WeakPolarHBondContact OD1-CB 3.38Å
45V94.1Very high91.3Very high0 Ų028.3 Ų28.30%013%0.129CC..EExtended strand (participates in β ladder)trans-128.1116.1-179.7173.60000108.8I42 V51 I139 V144 F148 P150I42-V45 HydrophobicContact CG2-CG2 3.49Å; I42-V45 VanDerWaalsContact CG2-CG2 3.49Å; V45-V51 HydrophobicContact CG1-CG2 4.3Å; V45-V51 HydrophobicContact CG2-CG2 4.37Å; V45-I139 HydrophobicContact CG1-CG2 4.49Å; V45-I139 WeakPolarHBondContact CG1-O 3.48Å; V45-I139 HydrophobicContact CG2-CG2 4.06Å; V45-V144 HydrophobicContact CB-CG1 3.92Å; V45-V144 HydrophobicContact CG1-CG1 4.21Å; V45-F148 PolarHBondContact N-O 3.01Å; V45-P150 HydrophobicContact CB-CG 4.28Å; V45-P150 HydrophobicContact CG2-CG 3.7Å
46Q93.2Very high91.1Very high49 Ų4928.2 Ų28.223%0.22913%0.132CC..EExtended strand (participates in β ladder)trans-119.1113.1-179.3-57.4-169.517.200108.7N44 D48 F49 I50 F148N44-Q46 WeakPolarHBondContact OD1-CG 3.06Å; N44-Q46 PolarHBondContact OD1-NE2 3.01Å; Q46-D48 PolarHBondContact O-N 2.85Å; Q46-F49 HydrophobicContact CB-CB 4.17Å; Q46-F49 HydrophobicContact CB-CD1 3.82Å; Q46-F49 HydrophobicContact CB-CG 4.48Å; Q46-F49 HydrophobicContact CG-CD1 4.49Å; Q46-F49 PolarHBondContact O-N 2.89Å; Q46-F49 VanDerWaalsContact O-N 3.09Å; Q46-I50 HydrophobicContact CB-CG1 4.36Å; Q46-I50 PolarHBondContact N-O 2.94Å; Q46-I50 PolarHBondContact O-N 3.39Å; Q46-I50 VanDerWaalsContact O-N 3.13Å; Q46-F148 HydrophobicContact CG-CB 4.05Å; Q46-F148 HydrophobicContact CG-CD1 3.77Å; Q46-F148 HydrophobicContact CG-CD2 4.38Å; Q46-F148 HydrophobicContact CG-CE1 4.31Å; Q46-F148 HydrophobicContact CG-CG 3.81Å
47R91.6Very high90.8Very high123 Ų12330.2 Ų30.246%0.46415%0.149SC..THydrogen-bonded Turntrans-57132.9-172.6-57-159.4172.7160.2-7.9111.3F49 N140 E141 A142R47-F49 PolarHBondContact O-N 2.81Å; R47-N140 WeakPolarHBondContact CA-OD1 3.15Å; R47-N140 WeakPolarHBondContact CG-O 3.49Å; R47-E141 PolarHBondContact NH2-O 2.99Å; R47-A142 PolarHBondContact NE-O 3.08Å; R47-A142 PolarHBondContact NH2-O 2.9Å
48D91.1Very high90.3Very high117 Ų11731.2 Ų31.263%0.62616%0.159SC*.THydrogen-bonded Turntrans55.728.4-179-48.9-29.6000113.4Q46 G113 N140Q46-D48 PolarHBondContact O-N 2.85Å; D48-G113 WeakPolarHBondContact O-CA 3.25Å; D48-N140 PolarHBondContact N-OD1 2.95Å; D48-N140 PolarHBondContact OD1-ND2 2.71Å
49F91.9Very high90Very high39 Ų3935.2 Ų35.217%0.17118%0.184CC..THydrogen-bonded Turntrans-137.9-84.2179.7179.2-138.1000112.2Q46 R47 T112 G113 L116 Y118 L119Q46-F49 HydrophobicContact CB-CB 4.17Å; Q46-F49 HydrophobicContact CB-CD1 3.82Å; Q46-F49 HydrophobicContact CB-CG 4.48Å; Q46-F49 HydrophobicContact CG-CD1 4.49Å; Q46-F49 PolarHBondContact O-N 2.89Å; Q46-F49 VanDerWaalsContact O-N 3.09Å; R47-F49 PolarHBondContact O-N 2.81Å; F49-T112 VanDerWaalsContact C-OG1 3.28Å; F49-T112 PolarHBondContact N-OG1 2.94Å; F49-T112 PolarHBondContact O-N 3.02Å; F49-T112 PolarHBondContact O-OG1 3.41Å; F49-G113 PolarHBondContact O-N 3.14Å; F49-G113 VanDerWaalsContact O-N 3.14Å; F49-L116 HydrophobicContact CD2-CD1 3.74Å; F49-L116 HydrophobicContact CD2-CD2 3.88Å; F49-L116 HydrophobicContact CD2-CG 4.4Å; F49-L116 HydrophobicContact CE2-CD1 4.12Å; F49-L116 HydrophobicContact CE2-CD2 4.38Å; F49-L116 VanDerWaalsContact O-CD1 3.3Å; F49-L116 WeakPolarHBondContact O-CD1 3.45Å; F49-Y118 HydrophobicContact CD2-CE2 4.33Å; F49-Y118 VanDerWaalsContact CD2-OH 3.24Å; F49-Y118 WeakPolarHBondContact CD2-OH 3.37Å; F49-Y118 AromaticContact CE2-CE2 3.4Å; F49-Y118 HydrophobicContact CE2-CE2 3.4Å; F49-Y118 VanDerWaalsContact CE2-CE2 3.4Å; F49-Y118 AromaticContact CE2-CZ 3.6Å; F49-Y118 WeakPolarHBondContact CE2-OH 3.3Å; F49-Y118 AromaticContact CZ-CE2 3.71Å; F49-Y118 HydrophobicContact CZ-CE2 3.71Å; F49-L119 HydrophobicContact CE2-CD1 4.03Å; F49-L119 HydrophobicContact CE2-CD2 4.17Å; F49-L119 HydrophobicContact CE2-CG 4.29Å; F49-L119 HydrophobicContact CZ-CD2 4.08Å
50I93.7Very high89.8Confident13 Ų1333.7 Ų33.77%0.06719%0.186CC..EExtended strand (participates in β ladder)trans-142.8152.3-174.765.1176.1000113.7Q46 L109 I110 L116 L119Q46-I50 HydrophobicContact CB-CG1 4.36Å; Q46-I50 PolarHBondContact N-O 2.94Å; Q46-I50 PolarHBondContact O-N 3.39Å; Q46-I50 VanDerWaalsContact O-N 3.13Å; I50-L109 HydrophobicContact CB-CD1 4.41Å; I50-L109 HydrophobicContact CD1-CD2 4.33Å; I50-L109 HydrophobicContact CG2-CD1 3.89Å; I50-L109 HydrophobicContact CG2-CD2 4.49Å; I50-I110 WeakPolarHBondContact CA-O 3.28Å; I50-L116 HydrophobicContact CG2-CD1 4.42Å; I50-L119 HydrophobicContact CG2-CD1 4Å
51V94.9Very high89.4Confident2 Ų244.2 Ų44.21%0.01223%0.225CC..EExtended strand (participates in β ladder)trans-120121.8168.5168.40000107.6I42 V45 L109 I110 T112 L136 I139I42-V51 HydrophobicContact CD1-CG1 4.07Å; I42-V51 HydrophobicContact CG2-CG1 3.58Å; V45-V51 HydrophobicContact CG1-CG2 4.3Å; V45-V51 HydrophobicContact CG2-CG2 4.37Å; V51-L109 CarbonylContact O-C 3.54Å; V51-L109 WeakPolarHBondContact O-CA 3.23Å; V51-I110 PolarHBondContact N-O 3.29Å; V51-I110 PolarHBondContact O-N 3.27Å; V51-T112 HydrophobicContact CG2-CG2 3.6Å; V51-L136 HydrophobicContact CB-CD1 4.46Å; V51-L136 HydrophobicContact CG2-CD1 4.22Å; V51-I139 HydrophobicContact CB-CG2 4.44Å; V51-I139 HydrophobicContact CG1-CG2 3.83Å; V51-I139 HydrophobicContact CG2-CG2 3.66Å
52Q94.1Very high89.1Confident28 Ų2843.1 Ų43.113%0.13122%0.222CC..EExtended strand (participates in β ladder)trans-117.6135.9-174.7178.6-175.3-9.800111.9H43 N44 V97 L109H43-Q52 PolarHBondContact N-O 2.98Å; N44-Q52 HydrophobicContact CB-CB 4.12Å; N44-Q52 PolarHBondContact ND2-OE1 2.94Å; N44-Q52 PolarHBondContact O-N 2.93Å; Q52-V97 HydrophobicContact CG-CG2 4.01Å; Q52-L109 HydrophobicContact CB-CB 4.39Å
53T93.4Very high88.7Confident3 Ų343 Ų432%0.01822%0.222CC..EExtended strand (participates in β ladder)trans-154.3-165.7-177.6-171.70000110.5L41 Q107 F108 I156L41-T53 PolarHBondContact O-OG1 2.91Å; L41-T53 VanDerWaalsContact O-OG1 3.05Å; T53-Q107 WeakPolarHBondContact O-CA 3.49Å; T53-F108 HydrophobicContact CG2-CD1 4.45Å; T53-F108 HydrophobicContact CG2-CD2 4.19Å; T53-F108 HydrophobicContact CG2-CE1 3.89Å; T53-F108 HydrophobicContact CG2-CE2 3.61Å; T53-F108 HydrophobicContact CG2-CZ 3.44Å; T53-F108 VanDerWaalsContact CG2-CZ 3.44Å; T53-F108 PolarHBondContact N-O 3.04Å; T53-F108 PolarHBondContact O-N 3.04Å; T53-F108 VanDerWaalsContact O-O 3.14Å; T53-I156 HydrophobicContact CG2-CD1 4.06Å
54G89.6Confident88.7Confident0 Ų044.1 Ų44.10%023%0.228CC..  trans86.117.3179.900000115.2S106G54-S106 CarbonylContact O-C 3.45Å; G54-S106 WeakPolarHBondContact O-CB 3.42Å; G54-S106 PolarHBondContact O-OG 2.9Å
55D89.6Confident88.7Confident0 Ų043.2 Ų43.20%022%0.223CC..  trans-110.8108.3168.7-179.10.9000109.9T57 G58 T59 G60 R61 G62 G63 Q107D55-T57 PolarHBondContact O-N 2.95Å; D55-T57 VanDerWaalsContact O-N 3.15Å; D55-T57 WeakPolarHBondContact OD1-CB 3.36Å; D55-T57 PolarHBondContact OD1-N 3.27Å; D55-T57 PolarHBondContact OD1-OG1 3.36Å; D55-T57 PolarHBondContact OD2-OG1 2.94Å; D55-G58 PolarHBondContact O-N 3.01Å; D55-T59 PolarHBondContact OD2-N 2.88Å; D55-T59 PolarHBondContact OD2-OG1 2.85Å; D55-G60 WeakPolarHBondContact OD2-CA 3.14Å; D55-G60 PolarHBondContact OD2-N 2.89Å; D55-R61 PolarHBondContact OD2-N 3.33Å; D55-R61 VanDerWaalsContact OD2-N 3.14Å; D55-G62 WeakPolarHBondContact OD1-CA 3.25Å; D55-G62 WeakPolarHBondContact OD2-CA 3.46Å; D55-G62 PolarHBondContact OD2-N 3.45Å; D55-G63 PolarHBondContact OD1-N 3.31Å; D55-Q107 HydrophobicContact CB-CG 4.03Å
56P85.4Confident88.4Confident37 Ų3743.2 Ų43.224%0.2422%0.223CC..THydrogen-bonded Turntrans-63.2-16.8178-21.932.5000114.6Y36 C40Y36-P56 HydrophobicContact CD1-CG 3.88Å; Y36-P56 HydrophobicContact CE1-CG 3.3Å; Y36-P56 HydrophobicContact CE2-CG 4.16Å; Y36-P56 VanDerWaalsContact CZ-CG 3.48Å; C40-P56 VanDerWaalsContact SG-CA 3.57Å
57T83.7Confident88Confident85 Ų8542.7 Ų42.752%0.52122%0.22SC..THydrogen-bonded Turntrans-84.6-11.7176.672.30000113D55 T59D55-T57 PolarHBondContact O-N 2.95Å; D55-T57 VanDerWaalsContact O-N 3.15Å; D55-T57 WeakPolarHBondContact OD1-CB 3.36Å; D55-T57 PolarHBondContact OD1-N 3.27Å; D55-T57 PolarHBondContact OD1-OG1 3.36Å; D55-T57 PolarHBondContact OD2-OG1 2.94Å; T57-T59 PolarHBondContact O-N 2.74Å; T57-T59 PolarHBondContact OG1-N 3.44Å; T57-T59 PolarHBondContact OG1-OG1 2.65Å
58G80.8Confident87.7Confident21 Ų2137.2 Ų37.222%0.21620%0.2CC..SBendtrans65.10-173.600000115.4H43 D55 G60H43-G58 WeakPolarHBondContact CB-O 3.4Å; D55-G58 PolarHBondContact O-N 3.01Å; G58-G60 PolarHBondContact O-N 2.73Å
59T81.5Confident87.2Confident91 Ų9136.8 Ų36.856%0.55819%0.193SC*.SBendtrans-81.9-11.6-173.465.30000114.6D55 T57 R61 G62D55-T59 PolarHBondContact OD2-N 2.88Å; D55-T59 PolarHBondContact OD2-OG1 2.85Å; T57-T59 PolarHBondContact O-N 2.74Å; T57-T59 PolarHBondContact OG1-N 3.44Å; T57-T59 PolarHBondContact OG1-OG1 2.65Å; T59-R61 PolarHBondContact O-N 2.71Å; T59-R61 PolarHBondContact OG1-N 3.14Å; T59-G62 PolarHBondContact OG1-N 3.11Å
60G81.3Confident86.7Confident25 Ų2537 Ų3726%0.25820%0.195SC..SBendtrans70.92.4-169.800000114H43 D55 G58 Q107H43-G60 WeakPolarHBondContact NE2-CA 3.34Å; D55-G60 WeakPolarHBondContact OD2-CA 3.14Å; D55-G60 PolarHBondContact OD2-N 2.89Å; G58-G60 PolarHBondContact O-N 2.73Å; G60-Q107 VanDerWaalsContact C-NE2 3.3Å; G60-Q107 PolarHBondContact O-NE2 2.9Å
61R82.1Confident86.1Confident220 Ų22043.5 Ų43.583%0.8322%0.22SC*.SBendtrans-119.5-10-178.7-59.8-174.6-175.3-173.93113.4D55 T59D55-R61 PolarHBondContact OD2-N 3.33Å; D55-R61 VanDerWaalsContact OD2-N 3.14Å; T59-R61 PolarHBondContact O-N 2.71Å; T59-R61 PolarHBondContact OG1-N 3.14Å
62G83.6Confident85.4Confident9 Ų944.9 Ų44.99%0.09323%0.234CC..  trans-84-158.317300000112.5D55 T59 Q107D55-G62 WeakPolarHBondContact OD1-CA 3.25Å; D55-G62 WeakPolarHBondContact OD2-CA 3.46Å; D55-G62 PolarHBondContact OD2-N 3.45Å; T59-G62 PolarHBondContact OG1-N 3.11Å; G62-Q107 PolarHBondContact O-NE2 2.84Å
63G85.5Confident84.7Confident5 Ų550.3 Ų50.35%0.05226%0.264CS..  trans90.6140.6-173.800000114D55 S106D55-G63 PolarHBondContact OD1-N 3.31Å; G63-S106 WeakPolarHBondContact CA-OG 3.44Å
64E89.7Confident84Confident39 Ų3958.6 Ų58.618%0.18230%0.303CS..  trans-144.3144.8-177.1-51.3-166.8137.600109.5Y36 C68 K69 R76 S106Y36-E64 PolarHBondContact OH-N 3.12Å; E64-C68 HydrophobicContact CB-CB 4.13Å; E64-K69 IonicContact OE2-NZ 2.64Å; E64-K69 PolarHBondContact OE2-NZ 3.5Å; E64-R76 HydrophobicContact CB-CG 4.11Å; E64-R76 HydrophobicContact CG-CG 3.98Å; E64-R76 IonicContact OE1-CZ 3.61Å; E64-R76 IonicContact OE1-NE 2.99Å; E64-R76 IonicContact OE1-NH1 3.02Å; E64-R76 PolarHBondContact OE1-NH1 3.26Å; E64-S106 PolarHBondContact N-OG 3.09Å; E64-S106 WeakPolarHBondContact O-CB 3.09Å
65S91.1Very high83.6Confident1 Ų159.4 Ų59.41%0.00731%0.309CS..  trans-69.8160.9174.6890000112.1N27 F67 C68 A75 R76N27-S65 WeakPolarHBondContact OD1-CA 3.47Å; N27-S65 WeakPolarHBondContact OD1-CB 3.48Å; S65-F67 PolarHBondContact O-N 3.2Å; S65-F67 WeakPolarHBondContact OG-CB 3.35Å; S65-F67 WeakPolarHBondContact OG-CD2 3.43Å; S65-F67 PolarHBondContact OG-N 3.38Å; S65-F67 VanDerWaalsContact OG-N 3.11Å; S65-C68 WeakPolarHBondContact O-CB 3.21Å; S65-C68 PolarHBondContact O-N 3.45Å; S65-C68 VanDerWaalsContact O-N 3.11Å; S65-C68 PolarHBondContact OG-N 3.36Å; S65-A75 PolarHBondContact OG-O 2.98Å; S65-R76 PolarHBondContact N-O 3.29Å
66V88.1Confident83.3Confident0 Ų063.2 Ų63.20%032%0.324CS..THydrogen-bonded Turntrans-59.6-31.2170.970.80000111.9L26 N27 K30 L31 C68 K69 L70 L172L26-V66 HydrophobicContact CD2-CG1 4.41Å; N27-V66 HydrophobicContact CB-CG1 4.39Å; N27-V66 PolarHBondContact OD1-N 3.05Å; K30-V66 HydrophobicContact CB-CB 4.31Å; K30-V66 HydrophobicContact CB-CG1 4.31Å; K30-V66 HydrophobicContact CB-CG2 3.79Å; L31-V66 HydrophobicContact CD2-CB 4.17Å; L31-V66 HydrophobicContact CG-CB 4.19Å; V66-C68 PolarHBondContact O-N 2.92Å; V66-K69 PolarHBondContact O-N 3.32Å; V66-L70 PolarHBondContact O-N 3.34Å; V66-L172 HydrophobicContact CG2-CD1 3.61Å
67F86.3Confident83.5Confident39 Ų3964.4 Ų64.417%0.17133%0.325CS..Hα-helixtrans-63.1-23.8179.5-49.8-66.7000112L26 N27 S65 K69 L70 Y71 A75 F78L26-F67 HydrophobicContact CD2-CE1 4.09Å; L26-F67 HydrophobicContact CD2-CZ 4.1Å; N27-F67 HydrophobicContact CB-CE2 4.15Å; S65-F67 PolarHBondContact O-N 3.2Å; S65-F67 WeakPolarHBondContact OG-CB 3.35Å; S65-F67 WeakPolarHBondContact OG-CD2 3.43Å; S65-F67 PolarHBondContact OG-N 3.38Å; S65-F67 VanDerWaalsContact OG-N 3.11Å; F67-K69 VanDerWaalsContact C-N 3.27Å; F67-K69 PolarHBondContact O-N 2.95Å; F67-L70 HydrophobicContact CD1-CD1 4.49Å; F67-L70 PolarHBondContact O-N 2.78Å; F67-Y71 HydrophobicContact CB-CD2 4.06Å; F67-Y71 HydrophobicContact CB-CE2 4.41Å; F67-Y71 HydrophobicContact CD1-CE2 4.12Å; F67-Y71 PolarHBondContact O-N 2.84Å; F67-A75 HydrophobicContact CB-CB 3.91Å; F67-A75 WeakPolarHBondContact O-CB 3.31Å; F67-F78 HydrophobicContact CD2-CB 3.9Å; F67-F78 HydrophobicContact CD2-CD1 4.07Å; F67-F78 HydrophobicContact CD2-CG 4.1Å; F67-F78 HydrophobicContact CE2-CB 4Å; F67-F78 AromaticContact CE2-CD1 3.97Å; F67-F78 HydrophobicContact CE2-CD1 3.97Å; F67-F78 HydrophobicContact CE2-CD2 4.37Å; F67-F78 AromaticContact CE2-CG 3.85Å; F67-F78 HydrophobicContact CE2-CG 3.85Å
68C85Confident83.8Confident7 Ų761.2 Ų61.25%0.04730%0.304CS..Hα-helixtrans-58.2-37.9170.3-159.40000112.5E64 S65 V66 G72 A75E64-C68 HydrophobicContact CB-CB 4.13Å; S65-C68 WeakPolarHBondContact O-CB 3.21Å; S65-C68 PolarHBondContact O-N 3.45Å; S65-C68 VanDerWaalsContact O-N 3.11Å; S65-C68 PolarHBondContact OG-N 3.36Å; V66-C68 PolarHBondContact O-N 2.92Å; C68-G72 CarbonylContact O-C 3.49Å; C68-G72 WeakPolarHBondContact O-CA 3.5Å; C68-G72 PolarHBondContact O-N 2.63Å; C68-A75 PolarHBondContact N-O 3.39Å
69K79.9Confident84.2Confident109 Ų10965.1 Ų65.147%0.47432%0.32SS..Hα-helixtrans-80.5-21.8179.7-55.4-47.4-175.2-153.50112.8E64 V66 F67E64-K69 IonicContact OE2-NZ 2.64Å; E64-K69 PolarHBondContact OE2-NZ 3.5Å; V66-K69 PolarHBondContact O-N 3.32Å; F67-K69 VanDerWaalsContact C-N 3.27Å; F67-K69 PolarHBondContact O-N 2.95Å
70L81.1Confident84.4Confident42 Ų4261.7 Ų61.722%0.2230%0.301CS..Hα-helixtrans-92.8-33.1-178.8-60.7172.5000113.3V66 F67 P169 L172V66-L70 PolarHBondContact O-N 3.34Å; F67-L70 HydrophobicContact CD1-CD1 4.49Å; F67-L70 PolarHBondContact O-N 2.78Å; L70-P169 HydrophobicContact CD1-CB 4.12Å; L70-P169 HydrophobicContact CD1-CG 3.77Å; L70-P169 HydrophobicContact CD2-CB 4.05Å; L70-P169 HydrophobicContact CD2-CG 4.01Å; L70-L172 HydrophobicContact CD2-CD1 4.33Å
71Y82.1Confident84.7Confident151 Ų15161.9 Ų61.959%0.59230%0.295SS*.Hα-helixtrans-127.33.6-173.5-50.3-56.6000114.1F67 Q74 A75F67-Y71 HydrophobicContact CB-CD2 4.06Å; F67-Y71 HydrophobicContact CB-CE2 4.41Å; F67-Y71 HydrophobicContact CD1-CE2 4.12Å; F67-Y71 PolarHBondContact O-N 2.84Å; Y71-Q74 WeakPolarHBondContact O-CG 3.43Å; Y71-Q74 PolarHBondContact O-NE2 3.13Å; Y71-A75 HydrophobicContact CD2-CB 4.26Å
72G80.1Confident84.5Confident30 Ų3056 Ų5631%0.30928%0.276SS..  trans80.1-178.9-178.400000114.2C68 Q74 A75C68-G72 CarbonylContact O-C 3.49Å; C68-G72 WeakPolarHBondContact O-CA 3.5Å; C68-G72 PolarHBondContact O-N 2.63Å; G72-Q74 PolarHBondContact O-N 3.21Å; G72-A75 PolarHBondContact O-N 3.11Å
73D78.9Confident84.3Confident142 Ų14261.5 Ų61.576%0.75931%0.307SS*.G310 helixtrans-50.2-30.9-170.9-51-1.5000114.6A75 R76D73-A75 PolarHBondContact O-N 3.08Å; D73-A75 VanDerWaalsContact O-N 3.14Å; D73-R76 VanDerWaalsContact O-CB 3.22Å; D73-R76 WeakPolarHBondContact O-CB 3.48Å; D73-R76 PolarHBondContact O-N 3.25Å
74Q78.6Confident84.2Confident177 Ų17764.2 Ų64.283%0.82732%0.324SS*.G310 helixtrans-57.6-22.6174.662.2-175.4-1300114.1Y71 G72Y71-Q74 WeakPolarHBondContact O-CG 3.43Å; Y71-Q74 PolarHBondContact O-NE2 3.13Å; G72-Q74 PolarHBondContact O-N 3.21Å
75A82Confident83.8Confident17 Ų1771.1 Ų71.114%0.1435%0.348CS..G310 helixtrans-109.721.8177.500000112.7S65 F67 C68 Y71 G72 D73 F77S65-A75 PolarHBondContact OG-O 2.98Å; F67-A75 HydrophobicContact CB-CB 3.91Å; F67-A75 WeakPolarHBondContact O-CB 3.31Å; C68-A75 PolarHBondContact N-O 3.39Å; Y71-A75 HydrophobicContact CD2-CB 4.26Å; G72-A75 PolarHBondContact O-N 3.11Å; D73-A75 PolarHBondContact O-N 3.08Å; D73-A75 VanDerWaalsContact O-N 3.14Å; A75-F77 PolarHBondContact O-N 3Å; A75-F77 VanDerWaalsContact O-N 3.11Å
76R83.1Confident83.7Confident80 Ų8073.1 Ų73.130%0.30236%0.358SS..SBendtrans-54-30.2176.9177.8169.5164.6138.6-9.5113.5E64 S65 D73E64-R76 HydrophobicContact CB-CG 4.11Å; E64-R76 HydrophobicContact CG-CG 3.98Å; E64-R76 IonicContact OE1-CZ 3.61Å; E64-R76 IonicContact OE1-NE 2.99Å; E64-R76 IonicContact OE1-NH1 3.02Å; E64-R76 PolarHBondContact OE1-NH1 3.26Å; S65-R76 PolarHBondContact N-O 3.29Å; D73-R76 VanDerWaalsContact O-CB 3.22Å; D73-R76 WeakPolarHBondContact O-CB 3.48Å; D73-R76 PolarHBondContact O-N 3.25Å
77F88.8Confident83.7Confident62 Ų6277.4 Ų77.427%0.27238%0.377SS..SBendtrans-128.7159.9172.8-49.3-78.4000111.3A75 N99 Q103 H104A75-F77 PolarHBondContact O-N 3Å; A75-F77 VanDerWaalsContact O-N 3.11Å; F77-N99 HydrophobicContact CD1-CB 4.22Å; F77-N99 HydrophobicContact CE1-CB 3.96Å; F77-N99 HydrophobicContact CZ-CB 4.46Å; F77-Q103 HydrophobicContact CB-CB 3.81Å; F77-Q103 HydrophobicContact CG-CB 4.46Å; F77-H104 CarbonylContact C-O 3.42Å; F77-H104 WeakPolarHBondContact CA-O 3.17Å; F77-H104 WeakPolarHBondContact CB-O 3.15Å
78F89.6Confident83.8Confident18 Ų1875.6 Ų75.68%0.07937%0.369CS..EExtended strand (participates in β ladder)trans-130156.8176.669.6-81.4000112.2T24 N27 F67 Q103 H104T24-F78 HydrophobicContact CG2-CZ 4.34Å; N27-F78 HydrophobicContact CB-CE1 3.87Å; N27-F78 HydrophobicContact CB-CZ 3.96Å; N27-F78 VanDerWaalsContact CG-CE1 3.49Å; N27-F78 WeakPolarHBondContact ND2-CE1 3.41Å; F67-F78 HydrophobicContact CD2-CB 3.9Å; F67-F78 HydrophobicContact CD2-CD1 4.07Å; F67-F78 HydrophobicContact CD2-CG 4.1Å; F67-F78 HydrophobicContact CE2-CB 4Å; F67-F78 AromaticContact CE2-CD1 3.97Å; F67-F78 HydrophobicContact CE2-CD1 3.97Å; F67-F78 HydrophobicContact CE2-CD2 4.37Å; F67-F78 AromaticContact CE2-CG 3.85Å; F67-F78 HydrophobicContact CE2-CG 3.85Å; F78-Q103 CarbonylContact O-C 3.54Å; F78-Q103 WeakPolarHBondContact O-CA 3.42Å; F78-H104 HydrophobicContact CD1-CB 4.15Å; F78-H104 WeakPolarHBondContact CD1-O 3.3Å; F78-H104 HydrophobicContact CE1-CB 3.61Å; F78-H104 WeakPolarHBondContact CE1-O 3.34Å; F78-H104 HydrophobicContact CE2-CB 4.18Å; F78-H104 HydrophobicContact CZ-CB 3.65Å; F78-H104 PolarHBondContact N-O 3.4Å; F78-H104 PolarHBondContact O-N 3.24Å
79D89.4Confident83.9Confident104 Ų10482.4 Ų82.456%0.55639%0.394SS*.EExtended strand (participates in β ladder)trans-71.8140.1-175.1-49.8-46.3000113.4
80A87.1Confident84.3Confident18 Ų1882.6 Ų82.615%0.14940%0.395CS..  trans-64.4130179.500000114.3K82 D102 H104A80-K82 HydrophobicContact CB-CG 4.37Å; A80-K82 PolarHBondContact O-N 2.85Å; A80-D102 HydrophobicContact CB-CB 4.08Å; A80-D102 VanDerWaalsContact CB-O 3.29Å; A80-D102 WeakPolarHBondContact CB-O 3.45Å; A80-D102 PolarHBondContact N-O 3.47Å; A80-H104 VanDerWaalsContact CB-NE2 3.31Å; A80-H104 WeakPolarHBondContact CB-NE2 3.23Å
81E86.6Confident84.8Confident29 Ų2983.3 Ų83.314%0.13640%0.401CS..  trans-79.4101.5171.4-65.3-176.2122.500109.9R21 P22 K23 T24 T124R21-E81 VanDerWaalsContact CA-OE2 3.28Å; R21-E81 WeakPolarHBondContact CA-OE2 3.06Å; R21-E81 PolarHBondContact NE-O 3.5Å; R21-E81 PolarHBondContact NH1-O 3.31Å; R21-E81 PolarHBondContact NH2-O 3.37Å; P22-E81 WeakPolarHBondContact CD-OE1 3.13Å; K23-E81 HydrophobicContact CB-CG 4.27Å; K23-E81 WeakPolarHBondContact CB-OE1 3.41Å; K23-E81 HydrophobicContact CD-CG 4.32Å; K23-E81 WeakPolarHBondContact CG-OE1 3.47Å; K23-E81 PolarHBondContact N-OE1 3.3Å; K23-E81 VanDerWaalsContact N-OE1 3.14Å; K23-E81 PolarHBondContact N-OE2 2.69Å; K23-E81 VanDerWaalsContact N-OE2 3.07Å; T24-E81 PolarHBondContact N-OE2 2.85Å; T24-E81 PolarHBondContact OG1-OE2 3Å; E81-T124 WeakPolarHBondContact O-CG2 3.27Å
82K78.4Confident85.4Confident98 Ų9876.2 Ų76.243%0.42637%0.373SS..  trans-91.5-7-171.5-64.8-170.8173-165.80116A80 R85 D102A80-K82 HydrophobicContact CB-CG 4.37Å; A80-K82 PolarHBondContact O-N 2.85Å; K82-R85 WeakPolarHBondContact O-CG 3.41Å; K82-D102 VanDerWaalsContact CE-CG 3.4Å; K82-D102 VanDerWaalsContact CE-OD1 3.3Å; K82-D102 WeakPolarHBondContact CE-OD1 3.44Å; K82-D102 IonicContact NZ-OD1 3.72Å; K82-D102 PolarHBondContact NZ-OD1 2.79Å; K82-D102 IonicContact NZ-OD2 2.88Å; K82-D102 PolarHBondContact NZ-OD2 3.2Å
83V80.2Confident86Confident123 Ų12375 Ų7575%0.74536%0.36SS*.  trans-133.3133.8-174.1-177.50000108.5R21R21-V83 PolarHBondContact NH1-O 3.09Å
84P83.1Confident86.8Confident62 Ų6268.3 Ų68.340%0.40332%0.324SS..SBendcis-63.6166.1-7.629.3-35.9000112.4E20 R21 I86E20-P84 HydrophobicContact CB-CG 3.73Å; E20-P84 HydrophobicContact CG-CG 3.64Å; R21-P84 PolarHBondContact NH1-O 3.3Å; R21-P84 PolarHBondContact NH2-O 3.17Å; P84-I86 PolarHBondContact O-N 3.44Å
85R81.3Confident87.6Confident184 Ų18459.9 Ų59.969%0.69429%0.285SS*.  trans-9389.3176-69.4-170.575.7179.33.8110.6K82 D120K82-R85 WeakPolarHBondContact O-CG 3.41Å; R85-D120 PolarHBondContact NH2-O 3.01Å
86I88Confident88.1Confident44 Ų4459 Ų5923%0.22628%0.278CS..  trans-73.1147.7168.2-51.3174.5000108.4F17 E20 P84 V125F17-I86 HydrophobicContact CB-CD1 4.33Å; F17-I86 HydrophobicContact CD2-CD1 3.69Å; F17-I86 HydrophobicContact CE2-CD1 4.29Å; F17-I86 HydrophobicContact CE2-CG2 4.39Å; F17-I86 HydrophobicContact CG-CD1 4.15Å; E20-I86 HydrophobicContact CB-CD1 4.11Å; E20-I86 HydrophobicContact CG-CD1 4.41Å; P84-I86 PolarHBondContact O-N 3.44Å; I86-V125 HydrophobicContact CB-CB 4.02Å; I86-V125 HydrophobicContact CB-CG1 4.19Å; I86-V125 HydrophobicContact CG2-CB 3.93Å; I86-V125 HydrophobicContact CG2-CG1 3.59Å; I86-V125 HydrophobicContact CG2-CG2 4.38Å
87K87.9Confident88.6Confident89 Ų8955.9 Ų55.939%0.38727%0.268SS..  trans-122.5143.5-171.8-61.9-177.5108.5-69.80111.6R89 D117 D120K87-R89 HydrophobicContact CB-CG 3.7Å; K87-R89 PolarHBondContact O-N 2.8Å; K87-D117 VanDerWaalsContact NZ-CG 3.26Å; K87-D117 IonicContact NZ-OD1 2.73Å; K87-D117 PolarHBondContact NZ-OD1 2.7Å; K87-D117 IonicContact NZ-OD2 2.64Å; K87-D120 WeakPolarHBondContact CA-OD1 3.12Å; K87-D120 WeakPolarHBondContact CB-OD2 3.39Å; K87-D120 WeakPolarHBondContact CE-OD2 2.98Å; K87-D120 WeakPolarHBondContact CG-OD2 3.41Å; K87-D120 IonicContact NZ-OD2 2.68Å; K87-D120 PolarHBondContact NZ-OD2 2.86Å
88H89.6Confident88.5Confident1 Ų154.6 Ų54.61%0.00526%0.263CS..  trans-76.560.1179.8-57.682.5000112.3S95 T111 L116 D120 V125H88-S95 VanDerWaalsContact NE2-CB 3.32Å; H88-S95 WeakPolarHBondContact NE2-CB 3.47Å; H88-S95 PolarHBondContact NE2-OG 3.07Å; H88-T111 HydrophobicContact CB-CG2 4.29Å; H88-L116 HydrophobicContact CB-CB 4.02Å; H88-L116 PolarHBondContact O-N 3.15Å; H88-D120 IonicContact CE1-OD1 2.7Å; H88-D120 IonicContact CG-OD1 2.72Å; H88-D120 PolarHBondContact N-OD1 2.85Å; H88-D120 IonicContact ND1-OD1 2.9Å; H88-D120 PolarHBondContact ND1-OD1 3.41Å; H88-V125 VanDerWaalsContact CE1-CG2 3.48Å; H88-V125 WeakPolarHBondContact CE1-CG2 3.49Å; H88-V125 WeakPolarHBondContact NE2-CG2 3.4Å
89R86.8Confident88.2Confident151 Ų15156.6 Ų56.657%0.5728%0.275SS*.  trans-84.4-36.2-172-57-163.370.3-161-3.5114K87 N115K87-R89 HydrophobicContact CB-CG 3.7Å; K87-R89 PolarHBondContact O-N 2.8Å; R89-N115 PolarHBondContact O-N 2.92Å
90K88.3Confident87.6Confident113 Ų11353.3 Ų53.349%0.49127%0.265SS..SBendtrans-99.9158.2-178.9-54.3178-170.1165.80110.6T93 T111 E128K90-T93 PolarHBondContact O-OG1 3.44Å; K90-T111 PolarHBondContact O-OG1 3.3Å; K90-E128 WeakPolarHBondContact CE-OE2 3.17Å; K90-E128 IonicContact NZ-OE1 2.79Å; K90-E128 PolarHBondContact NZ-OE1 3.29Å; K90-E128 IonicContact NZ-OE2 2.69Å; K90-E128 PolarHBondContact NZ-OE2 3.11Å
91T92.1Very high87.4Confident57 Ų5759.8 Ų59.835%0.3530%0.297SS..THydrogen-bonded Turntrans-60.4155.6152.859.10000110.2T93 T112 E114T91-T93 VanDerWaalsContact C-N 3.28Å; T91-T93 PolarHBondContact O-N 3.03Å; T91-T112 WeakPolarHBondContact CG2-O 3.2Å; T91-E114 HydrophobicContact CG2-CG 3.88Å
92G92.9Very high87.2Confident1 Ų161.3 Ų61.31%0.0131%0.307CS..THydrogen-bonded Turntrans74.17.4-176.600000115.2V94 T111 E128 V129G92-V94 PolarHBondContact O-N 2.85Å; G92-T111 PolarHBondContact N-O 2.91Å; G92-E128 CarbonylContact O-C 3.6Å; G92-E128 WeakPolarHBondContact O-CA 3.26Å; G92-V129 WeakPolarHBondContact O-CG2 3.34Å; G92-V129 PolarHBondContact O-N 3.08Å
93T94.5Very high87.7Confident6 Ų659.9 Ų59.94%0.03730%0.302CS..EExtended strand (participates in β ladder)trans-70.9130.4174.6-51.20000109.3K90 T91 I110 T111 V125K90-T93 PolarHBondContact O-OG1 3.44Å; T91-T93 VanDerWaalsContact C-N 3.28Å; T91-T93 PolarHBondContact O-N 3.03Å; T93-I110 WeakPolarHBondContact O-CA 3.37Å; T93-T111 WeakPolarHBondContact CB-OG1 3.19Å; T93-T111 PolarHBondContact N-OG1 3Å; T93-T111 PolarHBondContact O-N 2.75Å; T93-T111 PolarHBondContact O-OG1 3.49Å; T93-V125 HydrophobicContact CG2-CB 4.29Å; T93-V125 HydrophobicContact CG2-CG1 3.51Å; T93-V125 HydrophobicContact CG2-CG2 3.75Å
94V95.1Very high88.2Confident0 Ų054 Ų540%027%0.266CS..EExtended strand (participates in β ladder)trans-108.4125.3-177.6-170.50000110.7I14 G92 F108 L109 I110 V125 F126 G127 V129I14-V94 HydrophobicContact CD1-CG1 4.44Å; I14-V94 HydrophobicContact CD1-CG2 4.17Å; I14-V94 HydrophobicContact CG1-CG2 4.23Å; I14-V94 HydrophobicContact CG2-CB 4.29Å; I14-V94 HydrophobicContact CG2-CG2 3.81Å; G92-V94 PolarHBondContact O-N 2.85Å; V94-F108 HydrophobicContact CG1-CD2 4.01Å; V94-L109 WeakPolarHBondContact CA-O 3.23Å; V94-I110 HydrophobicContact CG1-CG1 4.43Å; V94-I110 HydrophobicContact CG2-CG1 4.22Å; V94-I110 HydrophobicContact CG2-CG2 4.37Å; V94-V125 WeakPolarHBondContact O-CA 3.22Å; V94-F126 HydrophobicContact CG1-CE1 3.86Å; V94-F126 HydrophobicContact CG1-CE2 4.4Å; V94-F126 HydrophobicContact CG1-CZ 3.7Å; V94-F126 PolarHBondContact O-N 3.21Å; V94-G127 PolarHBondContact N-O 3.24Å; V94-G127 PolarHBondContact O-N 2.86Å; V94-V129 HydrophobicContact CG2-CG2 3.96Å
95S94.3Very high88.6Confident0 Ų051.1 Ų51.10%025%0.247CC..EExtended strand (participates in β ladder)trans-140.5151.4-177.565.40000113.9H88 F108 L109 T124H88-S95 VanDerWaalsContact NE2-CB 3.32Å; H88-S95 WeakPolarHBondContact NE2-CB 3.47Å; H88-S95 PolarHBondContact NE2-OG 3.07Å; S95-F108 CarbonylContact O-C 3.57Å; S95-F108 WeakPolarHBondContact O-CA 3.47Å; S95-L109 PolarHBondContact N-O 2.97Å; S95-L109 PolarHBondContact O-N 3.02Å; S95-L109 VanDerWaalsContact OG-CD1 3.28Å; S95-L109 WeakPolarHBondContact OG-CD1 3.33Å; S95-L109 WeakPolarHBondContact OG-CG 3.46Å; S95-T124 CarbonylContact C-O 3.59Å; S95-T124 VanDerWaalsContact CA-O 3.23Å; S95-T124 WeakPolarHBondContact CA-O 3.3Å; S95-T124 WeakPolarHBondContact CB-O 3.45Å
96M93.9Very high89.1Confident0 Ų042.3 Ų42.30%021%0.214CC..EExtended strand (participates in β ladder)trans-74.3141.6177.3-68.3-58.3-6700111.5T24 H104 G105 Q107 F108 H123 T124 F126T24-M96 HydrophobicContact CG2-CG 3.32Å; T24-M96 HydrophobicContact CG2-SD 4.16Å; M96-H104 HydrophobicContact CB-CB 4.27Å; M96-H104 WeakPolarHBondContact CB-ND1 3.15Å; M96-H104 HydrophobicContact CE-CB 4.19Å; M96-G105 WeakPolarHBondContact CE-O 3.5Å; M96-Q107 VanDerWaalsContact CE-O 3.27Å; M96-Q107 WeakPolarHBondContact CE-O 3.36Å; M96-F108 HydrophobicContact SD-CB 4.08Å; M96-H123 PolarHBondContact O-ND1 3.08Å; M96-T124 PolarHBondContact N-O 2.82Å; M96-F126 HydrophobicContact CG-CD1 3.76Å; M96-F126 HydrophobicContact CG-CE1 3.77Å; M96-F126 HydrophobicContact SD-CD1 4.1Å; M96-F126 HydrophobicContact SD-CE1 3.52Å; M96-F126 VanDerWaalsContact SD-CE1 3.52Å; M96-F126 HydrophobicContact SD-CZ 4Å
97V91.8Very high89.4Confident14 Ų1440.3 Ų40.39%0.08520%0.204CC..  trans-69.5137.5167-179.50000109Q52 H104 Q107Q52-V97 HydrophobicContact CG-CG2 4.01Å; V97-H104 PolarHBondContact O-ND1 3.11Å; V97-Q107 HydrophobicContact CB-CB 3.76Å; V97-Q107 HydrophobicContact CG1-CB 4.44Å; V97-Q107 HydrophobicContact CG2-CB 3.85Å; V97-Q107 PolarHBondContact N-O 2.85Å
98N87.9Confident89.7Confident34 Ų3436.1 Ų36.118%0.18219%0.185CC..  trans-94.7113.2176.8-172.2-28000108.1G100 D102 V122N98-G100 PolarHBondContact O-N 2.88Å; N98-G100 PolarHBondContact OD1-N 3.31Å; N98-G100 VanDerWaalsContact OD1-N 3.07Å; N98-D102 PolarHBondContact ND2-OD1 2.95Å; N98-D102 WeakPolarHBondContact OD1-CA 3.36Å; N98-D102 PolarHBondContact OD1-N 3.13Å; N98-V122 VanDerWaalsContact CB-O 3.32Å; N98-V122 WeakPolarHBondContact CB-O 3.03Å; N98-V122 PolarHBondContact ND2-O 2.81Å
99N82.4Confident90Very high61 Ų6136.1 Ų36.133%0.32619%0.185SC..  trans-77.63.1-178-70.894.2000113F77 Q103 G105F77-N99 HydrophobicContact CD1-CB 4.22Å; F77-N99 HydrophobicContact CE1-CB 3.96Å; F77-N99 HydrophobicContact CZ-CB 4.46Å; N99-Q103 PolarHBondContact N-O 3.27Å; N99-G105 PolarHBondContact OD1-N 3.05Å
100G77.2Confident90.4Very high34 Ų3429.2 Ų29.235%0.35116%0.16SC..SBendtrans110.5156.3-171.800000111.2N98 D102 Q103N98-G100 PolarHBondContact O-N 2.88Å; N98-G100 PolarHBondContact OD1-N 3.31Å; N98-G100 VanDerWaalsContact OD1-N 3.07Å; G100-D102 PolarHBondContact O-N 2.85Å; G100-Q103 WeakPolarHBondContact O-CB 3.38Å; G100-Q103 PolarHBondContact O-N 2.73Å
101N82.9Confident90.7Very high154 Ų15423.9 Ų23.982%0.82414%0.136SC*.THydrogen-bonded Turntrans50.728.1-179.4-63-18.2000115.1Q103N101-Q103 VanDerWaalsContact C-N 3.3Å; N101-Q103 HydrophobicContact CB-CG 4.41Å; N101-Q103 PolarHBondContact O-N 3.08Å
102D83.4Confident90.7Very high62 Ų6221.9 Ų21.933%0.33212%0.124SC..THydrogen-bonded Turntrans61.733.7-175.8-57-62.7000114.4A80 K82 N98 G100A80-D102 HydrophobicContact CB-CB 4.08Å; A80-D102 VanDerWaalsContact CB-O 3.29Å; A80-D102 WeakPolarHBondContact CB-O 3.45Å; A80-D102 PolarHBondContact N-O 3.47Å; K82-D102 VanDerWaalsContact CE-CG 3.4Å; K82-D102 VanDerWaalsContact CE-OD1 3.3Å; K82-D102 WeakPolarHBondContact CE-OD1 3.44Å; K82-D102 IonicContact NZ-OD1 3.72Å; K82-D102 PolarHBondContact NZ-OD1 2.79Å; K82-D102 IonicContact NZ-OD2 2.88Å; K82-D102 PolarHBondContact NZ-OD2 3.2Å; N98-D102 PolarHBondContact ND2-OD1 2.95Å; N98-D102 WeakPolarHBondContact OD1-CA 3.36Å; N98-D102 PolarHBondContact OD1-N 3.13Å; G100-D102 PolarHBondContact O-N 2.85Å
103Q88.6Confident90.6Very high68 Ų6822.1 Ų22.132%0.31813%0.127SC..EExtended strand (participates in β ladder)trans-105.3142.4178.2-57.2-162.5-51.400112.3F77 F78 N99 G100 N101F77-Q103 HydrophobicContact CB-CB 3.81Å; F77-Q103 HydrophobicContact CG-CB 4.46Å; F78-Q103 CarbonylContact O-C 3.54Å; F78-Q103 WeakPolarHBondContact O-CA 3.42Å; N99-Q103 PolarHBondContact N-O 3.27Å; G100-Q103 WeakPolarHBondContact O-CB 3.38Å; G100-Q103 PolarHBondContact O-N 2.73Å; N101-Q103 VanDerWaalsContact C-N 3.3Å; N101-Q103 HydrophobicContact CB-CG 4.41Å; N101-Q103 PolarHBondContact O-N 3.08Å
104H90.7Very high90.3Very high0 Ų028.2 Ų28.20%016%0.155CC..EExtended strand (participates in β ladder)trans-120.3141.3179.6-63.6-47.1000111.8F77 F78 A80 M96 V97 T124F77-H104 CarbonylContact C-O 3.42Å; F77-H104 WeakPolarHBondContact CA-O 3.17Å; F77-H104 WeakPolarHBondContact CB-O 3.15Å; F78-H104 HydrophobicContact CD1-CB 4.15Å; F78-H104 WeakPolarHBondContact CD1-O 3.3Å; F78-H104 HydrophobicContact CE1-CB 3.61Å; F78-H104 WeakPolarHBondContact CE1-O 3.34Å; F78-H104 HydrophobicContact CE2-CB 4.18Å; F78-H104 HydrophobicContact CZ-CB 3.65Å; F78-H104 PolarHBondContact N-O 3.4Å; F78-H104 PolarHBondContact O-N 3.24Å; A80-H104 VanDerWaalsContact CB-NE2 3.31Å; A80-H104 WeakPolarHBondContact CB-NE2 3.23Å; M96-H104 HydrophobicContact CB-CB 4.27Å; M96-H104 WeakPolarHBondContact CB-ND1 3.15Å; M96-H104 HydrophobicContact CE-CB 4.19Å; V97-H104 PolarHBondContact O-ND1 3.11Å; H104-T124 PolarHBondContact CE1-OG1 3.19Å; H104-T124 VanDerWaalsContact NE2-CB 3.25Å; H104-T124 WeakPolarHBondContact NE2-CB 3.48Å; H104-T124 PolarHBondContact NE2-OG1 2.81Å
105G89.9Confident89.9Confident0 Ų032 Ų320%018%0.175CC..  trans-106.9-119.617100000111.8N27 M96 N99N27-G105 PolarHBondContact ND2-O 2.85Å; M96-G105 WeakPolarHBondContact CE-O 3.5Å; N99-G105 PolarHBondContact OD1-N 3.05Å
106S92.8Very high89.6Confident0 Ų032.4 Ų32.40%018%0.177CC..SBendtrans-106.5-14.1172.157.50000114Y36 Y37 G54 G63 E64 F108Y36-S106 VanDerWaalsContact CE1-CB 3.45Å; Y36-S106 WeakPolarHBondContact CE1-OG 3.38Å; Y37-S106 WeakPolarHBondContact CE1-O 3.23Å; Y37-S106 PolarHBondContact OH-O 3.27Å; Y37-S106 VanDerWaalsContact OH-O 3.07Å; G54-S106 CarbonylContact O-C 3.45Å; G54-S106 WeakPolarHBondContact O-CB 3.42Å; G54-S106 PolarHBondContact O-OG 2.9Å; G63-S106 WeakPolarHBondContact CA-OG 3.44Å; E64-S106 PolarHBondContact N-OG 3.09Å; E64-S106 WeakPolarHBondContact O-CB 3.09Å; S106-F108 PolarHBondContact O-N 3.27Å
107Q94.1Very high89.2Confident2 Ų236.7 Ų36.71%0.00920%0.2CC..  trans-69.4132.6-177.1-71.4-167.936.600111.7T53 D55 G60 G62 M96 V97T53-Q107 WeakPolarHBondContact O-CA 3.49Å; D55-Q107 HydrophobicContact CB-CG 4.03Å; G60-Q107 VanDerWaalsContact C-NE2 3.3Å; G60-Q107 PolarHBondContact O-NE2 2.9Å; G62-Q107 PolarHBondContact O-NE2 2.84Å; M96-Q107 VanDerWaalsContact CE-O 3.27Å; M96-Q107 WeakPolarHBondContact CE-O 3.36Å; V97-Q107 HydrophobicContact CB-CB 3.76Å; V97-Q107 HydrophobicContact CG1-CB 4.44Å; V97-Q107 HydrophobicContact CG2-CB 3.85Å; V97-Q107 PolarHBondContact N-O 2.85Å
108F95.1Very high88.9Confident0 Ų043.4 Ų43.40%023%0.225CC..EExtended strand (participates in β ladder)trans-135.7159177.166.7-87.3000111.1L5 F28 Y37 T53 V94 S95 M96 S106 I110 F126 I156L5-F108 HydrophobicContact CD1-CE2 4.39Å; L5-F108 HydrophobicContact CD1-CZ 4.12Å; F28-F108 HydrophobicContact CD2-CD1 4.41Å; F28-F108 AromaticContact CE2-CD1 3.91Å; F28-F108 HydrophobicContact CE2-CD1 3.91Å; F28-F108 AromaticContact CE2-CE1 3.73Å; F28-F108 HydrophobicContact CE2-CE1 3.73Å; F28-F108 HydrophobicContact CE2-CE2 4.38Å; F28-F108 HydrophobicContact CE2-CG 4.33Å; F28-F108 AromaticContact CE2-CZ 3.97Å; F28-F108 HydrophobicContact CE2-CZ 3.97Å; F28-F108 HydrophobicContact CZ-CZ 4.49Å; Y37-F108 HydrophobicContact CD1-CE1 4.13Å; Y37-F108 HydrophobicContact CE1-CD1 4.15Å; Y37-F108 AromaticContact CE1-CE1 3.84Å; Y37-F108 HydrophobicContact CE1-CE1 3.84Å; Y37-F108 HydrophobicContact CE2-CE1 4.47Å; T53-F108 HydrophobicContact CG2-CD1 4.45Å; T53-F108 HydrophobicContact CG2-CD2 4.19Å; T53-F108 HydrophobicContact CG2-CE1 3.89Å; T53-F108 HydrophobicContact CG2-CE2 3.61Å; T53-F108 HydrophobicContact CG2-CZ 3.44Å; T53-F108 VanDerWaalsContact CG2-CZ 3.44Å; T53-F108 PolarHBondContact N-O 3.04Å; T53-F108 PolarHBondContact O-N 3.04Å; T53-F108 VanDerWaalsContact O-O 3.14Å; V94-F108 HydrophobicContact CG1-CD2 4.01Å; S95-F108 CarbonylContact O-C 3.57Å; S95-F108 WeakPolarHBondContact O-CA 3.47Å; M96-F108 HydrophobicContact SD-CB 4.08Å; S106-F108 PolarHBondContact O-N 3.27Å; F108-I110 HydrophobicContact CD2-CG1 4.38Å; F108-I110 HydrophobicContact CE2-CD1 4.36Å; F108-I110 HydrophobicContact CE2-CG1 4.3Å; F108-F126 HydrophobicContact CB-CE1 4.15Å; F108-F126 HydrophobicContact CB-CZ 4.28Å; F108-I156 HydrophobicContact CZ-CD1 4.14Å
109L94.8Very high88.8Confident1 Ų142.3 Ų42.31%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-124151.917471.184.8000111I50 V51 Q52 V94 S95 T111I50-L109 HydrophobicContact CB-CD1 4.41Å; I50-L109 HydrophobicContact CD1-CD2 4.33Å; I50-L109 HydrophobicContact CG2-CD1 3.89Å; I50-L109 HydrophobicContact CG2-CD2 4.49Å; V51-L109 CarbonylContact O-C 3.54Å; V51-L109 WeakPolarHBondContact O-CA 3.23Å; Q52-L109 HydrophobicContact CB-CB 4.39Å; V94-L109 WeakPolarHBondContact CA-O 3.23Å; S95-L109 PolarHBondContact N-O 2.97Å; S95-L109 PolarHBondContact O-N 3.02Å; S95-L109 VanDerWaalsContact OG-CD1 3.28Å; S95-L109 WeakPolarHBondContact OG-CD1 3.33Å; S95-L109 WeakPolarHBondContact OG-CG 3.46Å; L109-T111 HydrophobicContact CD1-CG2 4.03Å
110I95.6Very high88.9Confident7 Ų740.3 Ų40.34%0.03621%0.208CC..EExtended strand (participates in β ladder)trans-117131171.4-50.6-178.5000107.1I14 I50 V51 T93 V94 F108 V129 L136I14-I110 HydrophobicContact CD1-CD1 4.47Å; I50-I110 WeakPolarHBondContact CA-O 3.28Å; V51-I110 PolarHBondContact N-O 3.29Å; V51-I110 PolarHBondContact O-N 3.27Å; T93-I110 WeakPolarHBondContact O-CA 3.37Å; V94-I110 HydrophobicContact CG1-CG1 4.43Å; V94-I110 HydrophobicContact CG2-CG1 4.22Å; V94-I110 HydrophobicContact CG2-CG2 4.37Å; F108-I110 HydrophobicContact CD2-CG1 4.38Å; F108-I110 HydrophobicContact CE2-CD1 4.36Å; F108-I110 HydrophobicContact CE2-CG1 4.3Å; I110-V129 HydrophobicContact CG2-CG2 3.86Å; I110-L136 HydrophobicContact CB-CD1 4.23Å; I110-L136 HydrophobicContact CG2-CD1 3.79Å; I110-L136 HydrophobicContact CG2-CD2 3.68Å; I110-L136 HydrophobicContact CG2-CG 4.41Å
111T94.7Very high89Confident0 Ų040.7 Ų40.70%021%0.212CC..EExtended strand (participates in β ladder)trans-78.4128.6179.360.40000111.6H88 K90 G92 T93 L109 L116 L119H88-T111 HydrophobicContact CB-CG2 4.29Å; K90-T111 PolarHBondContact O-OG1 3.3Å; G92-T111 PolarHBondContact N-O 2.91Å; T93-T111 WeakPolarHBondContact CB-OG1 3.19Å; T93-T111 PolarHBondContact N-OG1 3Å; T93-T111 PolarHBondContact O-N 2.75Å; T93-T111 PolarHBondContact O-OG1 3.49Å; L109-T111 HydrophobicContact CD1-CG2 4.03Å; T111-L116 HydrophobicContact CG2-CD1 3.73Å; T111-L119 HydrophobicContact CG2-CD1 4.33Å
112T92.8Very high89.1Confident15 Ų1537 Ų379%0.09220%0.195CC..  trans-100.3-2016957.70000112.1F49 V51 T91 L136 N140F49-T112 VanDerWaalsContact C-OG1 3.28Å; F49-T112 PolarHBondContact N-OG1 2.94Å; F49-T112 PolarHBondContact O-N 3.02Å; F49-T112 PolarHBondContact O-OG1 3.41Å; V51-T112 HydrophobicContact CG2-CG2 3.6Å; T91-T112 WeakPolarHBondContact CG2-O 3.2Å; T112-L136 HydrophobicContact CG2-CD1 3.75Å; T112-L136 HydrophobicContact CG2-CG 3.97Å; T112-N140 WeakPolarHBondContact CB-OD1 3.41Å; T112-N140 HydrophobicContact CG2-CB 3.9Å; T112-N140 PolarHBondContact OG1-OD1 3.42Å
113G89.4Confident89.4Confident6 Ų635.7 Ų35.76%0.06219%0.187CC..SBendtrans-88.9160.3171.100000114.5D48 F49D48-G113 WeakPolarHBondContact O-CA 3.25Å; F49-G113 PolarHBondContact O-N 3.14Å; F49-G113 VanDerWaalsContact O-N 3.14Å
114E89.2Confident89.5Confident134 Ų13432.9 Ų32.963%0.62617%0.174SC*.SBendtrans-93.2155171.3-67.5-168.4177.100112.7T91 L116T91-E114 HydrophobicContact CG2-CG 3.88Å; E114-L116 VanDerWaalsContact C-N 3.35Å; E114-L116 PolarHBondContact O-N 3.33Å
115N85.7Confident89.6Confident79 Ų7933 Ų3342%0.42218%0.175SC..  trans50.545.9170.4-59.3-80.1000114.7R89 D117R89-N115 PolarHBondContact O-N 2.92Å; N115-D117 PolarHBondContact O-N 3.42Å
116L88.1Confident89.8Confident10 Ų1033 Ų335%0.05218%0.175CC..  trans-79.852.7-178.5-54.5179.6000112.1F49 I50 H88 T111 E114 Y118 L119F49-L116 HydrophobicContact CD2-CD1 3.74Å; F49-L116 HydrophobicContact CD2-CD2 3.88Å; F49-L116 HydrophobicContact CD2-CG 4.4Å; F49-L116 HydrophobicContact CE2-CD1 4.12Å; F49-L116 HydrophobicContact CE2-CD2 4.38Å; F49-L116 VanDerWaalsContact O-CD1 3.3Å; F49-L116 WeakPolarHBondContact O-CD1 3.45Å; I50-L116 HydrophobicContact CG2-CD1 4.42Å; H88-L116 HydrophobicContact CB-CB 4.02Å; H88-L116 PolarHBondContact O-N 3.15Å; T111-L116 HydrophobicContact CG2-CD1 3.73Å; E114-L116 VanDerWaalsContact C-N 3.35Å; E114-L116 PolarHBondContact O-N 3.33Å; L116-Y118 HydrophobicContact CD2-CE1 4.17Å; L116-Y118 PolarHBondContact O-N 2.72Å; L116-L119 HydrophobicContact CB-CD1 3.91Å; L116-L119 HydrophobicContact CB-CG 4.24Å; L116-L119 HydrophobicContact CD1-CD1 4.01Å; L116-L119 PolarHBondContact O-N 3.18Å
117D86.1Confident89.9Confident90 Ų9033 Ų3348%0.48118%0.175SC..G310 helixtrans-53.9-19-173.8-91.20.4000114.3K87 N115 D120K87-D117 VanDerWaalsContact NZ-CG 3.26Å; K87-D117 IonicContact NZ-OD1 2.73Å; K87-D117 PolarHBondContact NZ-OD1 2.7Å; K87-D117 IonicContact NZ-OD2 2.64Å; N115-D117 PolarHBondContact O-N 3.42Å; D117-D120 WeakPolarHBondContact O-CB 3.32Å; D117-D120 PolarHBondContact O-N 3.49Å
118Y86.3Confident89.9Confident155 Ų15535.4 Ų35.461%0.60819%0.187SC*.G310 helixtrans-80.8-11.7178.153.3-86.7000114.4F49 L116F49-Y118 HydrophobicContact CD2-CE2 4.33Å; F49-Y118 VanDerWaalsContact CD2-OH 3.24Å; F49-Y118 WeakPolarHBondContact CD2-OH 3.37Å; F49-Y118 AromaticContact CE2-CE2 3.4Å; F49-Y118 HydrophobicContact CE2-CE2 3.4Å; F49-Y118 VanDerWaalsContact CE2-CE2 3.4Å; F49-Y118 AromaticContact CE2-CZ 3.6Å; F49-Y118 WeakPolarHBondContact CE2-OH 3.3Å; F49-Y118 AromaticContact CZ-CE2 3.71Å; F49-Y118 HydrophobicContact CZ-CE2 3.71Å; L116-Y118 HydrophobicContact CD2-CE1 4.17Å; L116-Y118 PolarHBondContact O-N 2.72Å
119L86.2Confident90Very high11 Ų1136 Ų366%0.05819%0.19CC..G310 helixtrans-82.9-15.2169.5-58.7178.9000112.2F49 I50 T111 L116 G121 V122 H123F49-L119 HydrophobicContact CE2-CD1 4.03Å; F49-L119 HydrophobicContact CE2-CD2 4.17Å; F49-L119 HydrophobicContact CE2-CG 4.29Å; F49-L119 HydrophobicContact CZ-CD2 4.08Å; I50-L119 HydrophobicContact CG2-CD1 4Å; T111-L119 HydrophobicContact CG2-CD1 4.33Å; L116-L119 HydrophobicContact CB-CD1 3.91Å; L116-L119 HydrophobicContact CB-CG 4.24Å; L116-L119 HydrophobicContact CD1-CD1 4.01Å; L116-L119 PolarHBondContact O-N 3.18Å; L119-G121 PolarHBondContact O-N 2.9Å; L119-V122 PolarHBondContact O-N 3.42Å; L119-V122 VanDerWaalsContact O-N 3.1Å; L119-H123 PolarHBondContact O-N 2.64Å
120D84.5Confident89.9Confident18 Ų1839 Ų3910%0.09621%0.208CC..BIsolated β-bridgetrans-69.898.9-167-74.1-5.6000115.1R85 K87 H88 D117R85-D120 PolarHBondContact NH2-O 3.01Å; K87-D120 WeakPolarHBondContact CA-OD1 3.12Å; K87-D120 WeakPolarHBondContact CB-OD2 3.39Å; K87-D120 WeakPolarHBondContact CE-OD2 2.98Å; K87-D120 WeakPolarHBondContact CG-OD2 3.41Å; K87-D120 IonicContact NZ-OD2 2.68Å; K87-D120 PolarHBondContact NZ-OD2 2.86Å; H88-D120 IonicContact CE1-OD1 2.7Å; H88-D120 IonicContact CG-OD1 2.72Å; H88-D120 PolarHBondContact N-OD1 2.85Å; H88-D120 IonicContact ND1-OD1 2.9Å; H88-D120 PolarHBondContact ND1-OD1 3.41Å; D117-D120 WeakPolarHBondContact O-CB 3.32Å; D117-D120 PolarHBondContact O-N 3.49Å
121G77.9Confident89.8Confident42 Ų4245 Ų4543%0.43324%0.236SC..THydrogen-bonded Turntrans90.35.4-177.800000113.8L119L119-G121 PolarHBondContact O-N 2.9Å
122V85.8Confident89.7Confident78 Ų7845.6 Ų45.647%0.47324%0.242SC..THydrogen-bonded Turntrans-87-47.7151.8-178.70000108.5N98 L119N98-V122 VanDerWaalsContact CB-O 3.32Å; N98-V122 WeakPolarHBondContact CB-O 3.03Å; N98-V122 PolarHBondContact ND2-O 2.81Å; L119-V122 PolarHBondContact O-N 3.42Å; L119-V122 VanDerWaalsContact O-N 3.1Å
123H89.4Confident89.7Confident33 Ų3348.5 Ų48.515%0.15326%0.257CS..BIsolated β-bridgetrans-104.3141.7177.4-65-85.6000111.3M96 L119M96-H123 PolarHBondContact O-ND1 3.08Å; L119-H123 PolarHBondContact O-N 2.64Å
124T91.1Very high89.9Confident9 Ų952.5 Ų52.56%0.05528%0.277CS..EExtended strand (participates in β ladder)trans-97.799.5-176.5-61.20000109.4R21 E81 S95 M96 H104 F126R21-T124 VanDerWaalsContact NE-CG2 3.29Å; E81-T124 WeakPolarHBondContact O-CG2 3.27Å; S95-T124 CarbonylContact C-O 3.59Å; S95-T124 VanDerWaalsContact CA-O 3.23Å; S95-T124 WeakPolarHBondContact CA-O 3.3Å; S95-T124 WeakPolarHBondContact CB-O 3.45Å; M96-T124 PolarHBondContact N-O 2.82Å; H104-T124 PolarHBondContact CE1-OG1 3.19Å; H104-T124 VanDerWaalsContact NE2-CB 3.25Å; H104-T124 WeakPolarHBondContact NE2-CB 3.48Å; H104-T124 PolarHBondContact NE2-OG1 2.81Å; T124-F126 PolarHBondContact O-N 2.63Å
125V93.3Very high90.1Very high2 Ų246.3 Ų46.31%0.01225%0.248CC..EExtended strand (participates in β ladder)trans-58.5133.6170.6-178.70000109.6F17 R21 I86 H88 T93 V94F17-V125 HydrophobicContact CD2-CG1 4.14Å; F17-V125 HydrophobicContact CE2-CG1 3.85Å; R21-V125 WeakPolarHBondContact CG-O 3.43Å; R21-V125 PolarHBondContact NE-O 2.91Å; I86-V125 HydrophobicContact CB-CB 4.02Å; I86-V125 HydrophobicContact CB-CG1 4.19Å; I86-V125 HydrophobicContact CG2-CB 3.93Å; I86-V125 HydrophobicContact CG2-CG1 3.59Å; I86-V125 HydrophobicContact CG2-CG2 4.38Å; H88-V125 VanDerWaalsContact CE1-CG2 3.48Å; H88-V125 WeakPolarHBondContact CE1-CG2 3.49Å; H88-V125 WeakPolarHBondContact NE2-CG2 3.4Å; T93-V125 HydrophobicContact CG2-CB 4.29Å; T93-V125 HydrophobicContact CG2-CG1 3.51Å; T93-V125 HydrophobicContact CG2-CG2 3.75Å; V94-V125 WeakPolarHBondContact O-CA 3.22Å
126F93.9Very high90.4Very high0 Ų042.8 Ų42.80%023%0.229CC..EExtended strand (participates in β ladder)trans-140.70.9178.974.2-86.3000114.8L16 F17 R21 T24 F28 V94 M96 F108 T124L16-F126 WeakPolarHBondContact CA-O 3.31Å; L16-F126 HydrophobicContact CD2-CD2 3.79Å; L16-F126 HydrophobicContact CD2-CE2 3.71Å; F17-F126 PolarHBondContact N-O 3.17Å; R21-F126 HydrophobicContact CB-CB 4.04Å; R21-F126 HydrophobicContact CG-CB 4.03Å; T24-F126 HydrophobicContact CG2-CB 3.59Å; T24-F126 HydrophobicContact CG2-CD1 3.77Å; T24-F126 HydrophobicContact CG2-CD2 4.25Å; T24-F126 HydrophobicContact CG2-CG 3.6Å; F28-F126 HydrophobicContact CB-CD2 4.48Å; F28-F126 HydrophobicContact CB-CE2 3.8Å; F28-F126 HydrophobicContact CB-CZ 4.39Å; F28-F126 AromaticContact CD1-CE2 3.98Å; F28-F126 HydrophobicContact CD1-CE2 3.98Å; F28-F126 AromaticContact CD2-CE2 3.73Å; F28-F126 HydrophobicContact CD2-CE2 3.73Å; F28-F126 AromaticContact CD2-CZ 3.68Å; F28-F126 HydrophobicContact CD2-CZ 3.68Å; F28-F126 HydrophobicContact CE1-CE2 4.48Å; F28-F126 HydrophobicContact CE2-CE2 4.28Å; F28-F126 HydrophobicContact CE2-CZ 4.08Å; F28-F126 AromaticContact CG-CE2 3.57Å; F28-F126 HydrophobicContact CG-CE2 3.57Å; F28-F126 HydrophobicContact CG-CZ 4.03Å; V94-F126 HydrophobicContact CG1-CE1 3.86Å; V94-F126 HydrophobicContact CG1-CE2 4.4Å; V94-F126 HydrophobicContact CG1-CZ 3.7Å; V94-F126 PolarHBondContact O-N 3.21Å; M96-F126 HydrophobicContact CG-CD1 3.76Å; M96-F126 HydrophobicContact CG-CE1 3.77Å; M96-F126 HydrophobicContact SD-CD1 4.1Å; M96-F126 HydrophobicContact SD-CE1 3.52Å; M96-F126 VanDerWaalsContact SD-CE1 3.52Å; M96-F126 HydrophobicContact SD-CZ 4Å; F108-F126 HydrophobicContact CB-CE1 4.15Å; F108-F126 HydrophobicContact CB-CZ 4.28Å; T124-F126 PolarHBondContact O-N 2.63Å
127G93.9Very high90.7Very high0 Ų045.7 Ų45.70%025%0.247CC..EExtended strand (participates in β ladder)trans-168.1179.5170.200000113.5D15 F17 V94D15-G127 CarbonylContact O-C 3.59Å; D15-G127 WeakPolarHBondContact O-CA 3.29Å; F17-G127 VanDerWaalsContact CE2-C 3.44Å; V94-G127 PolarHBondContact N-O 3.24Å; V94-G127 PolarHBondContact O-N 2.86Å
128E94.9Very high91Very high54 Ų5445.9 Ų45.925%0.25224%0.244SC..EExtended strand (participates in β ladder)trans-136.5147.3166.664.6-179.2-166.900111.7D15 F17 K90 G92 T130D15-E128 PolarHBondContact N-O 2.8Å; D15-E128 PolarHBondContact O-N 3.09Å; F17-E128 HydrophobicContact CE1-CG 4.36Å; F17-E128 HydrophobicContact CZ-CB 4.13Å; F17-E128 HydrophobicContact CZ-CG 3.84Å; K90-E128 WeakPolarHBondContact CE-OE2 3.17Å; K90-E128 IonicContact NZ-OE1 2.79Å; K90-E128 PolarHBondContact NZ-OE1 3.29Å; K90-E128 IonicContact NZ-OE2 2.69Å; K90-E128 PolarHBondContact NZ-OE2 3.11Å; G92-E128 CarbonylContact O-C 3.6Å; G92-E128 WeakPolarHBondContact O-CA 3.26Å; E128-T130 PolarHBondContact O-N 3.15Å
129V95.6Very high91.3Very high12 Ų1238.5 Ų38.57%0.07322%0.215CC..EExtended strand (participates in β ladder)trans-71.3119.9174.7175.20000108.8I12 V13 I14 G92 V94 I110 E131 L133I12-V129 HydrophobicContact CG2-CG1 3.77Å; I12-V129 HydrophobicContact CG2-CG2 3.96Å; V13-V129 CarbonylContact O-C 3.43Å; V13-V129 WeakPolarHBondContact O-CA 3.26Å; I14-V129 HydrophobicContact CG1-CG2 4.15Å; G92-V129 WeakPolarHBondContact O-CG2 3.34Å; G92-V129 PolarHBondContact O-N 3.08Å; V94-V129 HydrophobicContact CG2-CG2 3.96Å; I110-V129 HydrophobicContact CG2-CG2 3.86Å; V129-E131 VanDerWaalsContact CG1-O 3.23Å; V129-E131 WeakPolarHBondContact CG1-O 3.46Å; V129-L133 HydrophobicContact CB-CD2 4.04Å; V129-L133 HydrophobicContact CG1-CD2 3.73Å; V129-L133 HydrophobicContact CG1-CG 4.14Å
130T93.4Very high91.6Very high63 Ų6338.8 Ų38.839%0.38722%0.217SC..EExtended strand (participates in β ladder)trans-100.1-31.6179.640.80000112.7V13 D15 E128V13-T130 PolarHBondContact O-N 3.38Å; D15-T130 HydrophobicContact CB-CG2 3.95Å; D15-T130 WeakPolarHBondContact OD2-CG2 3.41Å; D15-T130 PolarHBondContact OD2-OG1 2.82Å; E128-T130 PolarHBondContact O-N 3.15Å
131E93.6Very high92Very high135 Ų13544.1 Ų44.163%0.63124%0.241SC*.EExtended strand (participates in β ladder)trans-136.3155.4172.3-54.1-171.8154.700110.9V13 V129V13-E131 HydrophobicContact CB-CB 3.95Å; V13-E131 HydrophobicContact CB-CG 4.49Å; V13-E131 HydrophobicContact CG2-CB 3.93Å; V13-E131 PolarHBondContact N-O 3.04Å; V129-E131 VanDerWaalsContact CG1-O 3.23Å; V129-E131 WeakPolarHBondContact CG1-O 3.46Å
132G92.3Very high92.5Very high12 Ų1243.1 Ų43.112%0.12423%0.228CC..  trans88.518.9-17600000115.7D11 D134 V135 L136D11-G132 VanDerWaalsContact O-CA 3.31Å; D11-G132 WeakPolarHBondContact O-CA 3.49Å; G132-D134 PolarHBondContact O-N 2.99Å; G132-V135 WeakPolarHBondContact O-CB 3.44Å; G132-V135 PolarHBondContact O-N 3.35Å; G132-V135 VanDerWaalsContact O-N 3.08Å; G132-L136 PolarHBondContact O-N 3.32Å
133L92.8Very high92.7Very high76 Ų7646.9 Ų46.940%0.39824%0.239SC..Hα-helixtrans-62.9-24.5175-68.6174.3000113.2V129 L136 T137V129-L133 HydrophobicContact CB-CD2 4.04Å; V129-L133 HydrophobicContact CG1-CD2 3.73Å; V129-L133 HydrophobicContact CG1-CG 4.14Å; L133-L136 HydrophobicContact CD2-CD2 4.17Å; L133-T137 PolarHBondContact O-N 2.69Å; L133-T137 PolarHBondContact O-OG1 2.79Å
134D93.9Very high92.8Very high89 Ų8947.1 Ų47.148%0.47624%0.242SC..Hα-helixtrans-71.4-38.3171.472.4-64.5000111.6G132 T137 K138G132-D134 PolarHBondContact O-N 2.99Å; D134-T137 WeakPolarHBondContact O-CB 3.3Å; D134-T137 PolarHBondContact O-N 3.39Å; D134-T137 VanDerWaalsContact O-N 3.16Å; D134-K138 WeakPolarHBondContact O-CG 3.4Å; D134-K138 PolarHBondContact O-N 2.94Å; D134-K138 IonicContact OD2-NZ 2.63Å; D134-K138 PolarHBondContact OD2-NZ 2.94Å
135V93.6Very high92.6Very high4 Ų449.4 Ų49.42%0.02426%0.255CS..Hα-helixtrans-63.6-44.7172.9-176.60000109.7L9 I12 G132 T137 K138 I139L9-V135 HydrophobicContact CB-CG1 3.99Å; I12-V135 HydrophobicContact CD1-CB 4.36Å; I12-V135 HydrophobicContact CD1-CG1 4.03Å; I12-V135 HydrophobicContact CG1-CB 4.01Å; I12-V135 HydrophobicContact CG1-CG1 3.97Å; G132-V135 WeakPolarHBondContact O-CB 3.44Å; G132-V135 PolarHBondContact O-N 3.35Å; G132-V135 VanDerWaalsContact O-N 3.08Å; V135-T137 PolarHBondContact O-N 2.99Å; V135-K138 WeakPolarHBondContact O-CB 3.43Å; V135-K138 PolarHBondContact O-N 3.46Å; V135-K138 VanDerWaalsContact O-N 3.16Å; V135-I139 HydrophobicContact CG1-CD1 4.22Å; V135-I139 VanDerWaalsContact O-CG1 3.3Å; V135-I139 WeakPolarHBondContact O-CG1 3.42Å; V135-I139 PolarHBondContact O-N 2.87Å
136L92.9Very high92.4Very high6 Ų658 Ų583%0.03129%0.292CS..Hα-helixtrans-59.5-33.8173.2-175.562.3000112.6V51 I110 T112 G132 L133 N140V51-L136 HydrophobicContact CB-CD1 4.46Å; V51-L136 HydrophobicContact CG2-CD1 4.22Å; I110-L136 HydrophobicContact CB-CD1 4.23Å; I110-L136 HydrophobicContact CG2-CD1 3.79Å; I110-L136 HydrophobicContact CG2-CD2 3.68Å; I110-L136 HydrophobicContact CG2-CG 4.41Å; T112-L136 HydrophobicContact CG2-CD1 3.75Å; T112-L136 HydrophobicContact CG2-CG 3.97Å; G132-L136 PolarHBondContact O-N 3.32Å; L133-L136 HydrophobicContact CD2-CD2 4.17Å; L136-N140 WeakPolarHBondContact O-CB 3.37Å; L136-N140 PolarHBondContact O-N 2.68Å
137T92.9Very high92.1Very high70 Ų7064 Ų6443%0.42932%0.324SS..Hα-helixtrans-70.1-43.5174.3-56.10000111.6L133 D134 V135 I139 N140 E141L133-T137 PolarHBondContact O-N 2.69Å; L133-T137 PolarHBondContact O-OG1 2.79Å; D134-T137 WeakPolarHBondContact O-CB 3.3Å; D134-T137 PolarHBondContact O-N 3.39Å; D134-T137 VanDerWaalsContact O-N 3.16Å; V135-T137 PolarHBondContact O-N 2.99Å; T137-I139 VanDerWaalsContact C-N 3.29Å; T137-I139 PolarHBondContact O-N 3.45Å; T137-N140 WeakPolarHBondContact O-CB 3.26Å; T137-N140 PolarHBondContact O-N 2.96Å; T137-N140 VanDerWaalsContact O-N 3.08Å; T137-E141 WeakPolarHBondContact O-CG 3.48Å; T137-E141 PolarHBondContact O-N 3.41Å
138K92.6Very high91.9Very high94 Ų9468.4 Ų68.441%0.40934%0.343SS..Hα-helixtrans-57.9-41.6173-63.5163.2-166.9145.80111.6L9 D134 V135 E141 A142L9-K138 HydrophobicContact CD1-CB 4.26Å; D134-K138 WeakPolarHBondContact O-CG 3.4Å; D134-K138 PolarHBondContact O-N 2.94Å; D134-K138 IonicContact OD2-NZ 2.63Å; D134-K138 PolarHBondContact OD2-NZ 2.94Å; V135-K138 WeakPolarHBondContact O-CB 3.43Å; V135-K138 PolarHBondContact O-N 3.46Å; V135-K138 VanDerWaalsContact O-N 3.16Å; K138-E141 PolarHBondContact O-N 2.58Å; K138-A142 PolarHBondContact O-N 3.08Å
139I92.4Very high91.6Very high1 Ų167.1 Ų67.11%0.00534%0.339CS..Hα-helixtrans-62.9-43.7174.7-61.6164.7000110.4L9 I12 I42 V45 V51 V135 T137 E141 A142 I154L9-I139 HydrophobicContact CD1-CG1 3.85Å; I12-I139 HydrophobicContact CD1-CD1 4.05Å; I42-I139 HydrophobicContact CD1-CD1 3.94Å; I42-I139 HydrophobicContact CD1-CG1 4.5Å; I42-I139 HydrophobicContact CD1-CG2 4.21Å; V45-I139 HydrophobicContact CG1-CG2 4.49Å; V45-I139 WeakPolarHBondContact CG1-O 3.48Å; V45-I139 HydrophobicContact CG2-CG2 4.06Å; V51-I139 HydrophobicContact CB-CG2 4.44Å; V51-I139 HydrophobicContact CG1-CG2 3.83Å; V51-I139 HydrophobicContact CG2-CG2 3.66Å; V135-I139 HydrophobicContact CG1-CD1 4.22Å; V135-I139 VanDerWaalsContact O-CG1 3.3Å; V135-I139 WeakPolarHBondContact O-CG1 3.42Å; V135-I139 PolarHBondContact O-N 2.87Å; T137-I139 VanDerWaalsContact C-N 3.29Å; T137-I139 PolarHBondContact O-N 3.45Å; I139-E141 VanDerWaalsContact C-N 3.32Å; I139-E141 PolarHBondContact O-N 2.82Å; I139-A142 WeakPolarHBondContact O-CB 3.31Å; I139-A142 PolarHBondContact O-N 3.27Å; I139-I154 HydrophobicContact CB-CD1 4.4Å; I139-I154 HydrophobicContact CG1-CD1 4.25Å; I139-I154 HydrophobicContact CG1-CG2 4.23Å; I139-I154 HydrophobicContact CG2-CD1 4.04Å
140N93.1Very high91.3Very high16 Ų1666.7 Ų66.79%0.08634%0.336CS..Hα-helixtrans-63.7-33178.1-170.868.2000113.4R47 D48 T112 L136 T137 A142R47-N140 WeakPolarHBondContact CA-OD1 3.15Å; R47-N140 WeakPolarHBondContact CG-O 3.49Å; D48-N140 PolarHBondContact N-OD1 2.95Å; D48-N140 PolarHBondContact OD1-ND2 2.71Å; T112-N140 WeakPolarHBondContact CB-OD1 3.41Å; T112-N140 HydrophobicContact CG2-CB 3.9Å; T112-N140 PolarHBondContact OG1-OD1 3.42Å; L136-N140 WeakPolarHBondContact O-CB 3.37Å; L136-N140 PolarHBondContact O-N 2.68Å; T137-N140 WeakPolarHBondContact O-CB 3.26Å; T137-N140 PolarHBondContact O-N 2.96Å; T137-N140 VanDerWaalsContact O-N 3.08Å; N140-A142 VanDerWaalsContact C-N 3.34Å
141E91.6Very high91Very high130 Ų13068.1 Ų68.161%0.60734%0.337SS*.Hα-helixtrans-79.1-14.3178.3-70.9-178.1164.300113.6R47 T137 K138 I139R47-E141 PolarHBondContact NH2-O 2.99Å; T137-E141 WeakPolarHBondContact O-CG 3.48Å; T137-E141 PolarHBondContact O-N 3.41Å; K138-E141 PolarHBondContact O-N 2.58Å; I139-E141 VanDerWaalsContact C-N 3.32Å; I139-E141 PolarHBondContact O-N 2.82Å
142A90Very high90.7Very high21 Ų2164.5 Ų64.517%0.17432%0.32CS..SBendtrans-52.3148.5-176.600000113.6R47 K138 I139 N140 I154R47-A142 PolarHBondContact NE-O 3.08Å; R47-A142 PolarHBondContact NH2-O 2.9Å; K138-A142 PolarHBondContact O-N 3.08Å; I139-A142 WeakPolarHBondContact O-CB 3.31Å; I139-A142 PolarHBondContact O-N 3.27Å; N140-A142 VanDerWaalsContact C-N 3.34Å; A142-I154 HydrophobicContact CB-CD1 4.04Å
143F89Confident90.4Very high158 Ų15864.2 Ų64.269%0.69332%0.316SS*.  trans-79.7129.2173.5-63.9-77.7000110.1P150 F151F143-P150 WeakPolarHBondContact O-CA 3.3Å; F143-F151 HydrophobicContact CB-CD2 4.02Å; F143-F151 PolarHBondContact O-N 2.72Å
144V91.3Very high90.3Very high37 Ų3760.9 Ų60.922%0.22430%0.299CS..BIsolated β-bridgetrans-124.9149.1-175.8-59.90000111.2V45 V149 P150 F151V45-V144 HydrophobicContact CB-CG1 3.92Å; V45-V144 HydrophobicContact CG1-CG1 4.21Å; V144-V149 CarbonylContact C-O 3.59Å; V144-V149 VanDerWaalsContact CA-O 3.3Å; V144-V149 WeakPolarHBondContact CA-O 3.4Å; V144-P150 HydrophobicContact CG1-CG 4.4Å; V144-F151 VanDerWaalsContact O-CE2 3.32Å; V144-F151 WeakPolarHBondContact O-CE2 3.41Å
145D88.4Confident90.1Very high58 Ų5857.2 Ų57.231%0.3128%0.278SS..  trans-80.2179.4172-162.76.4000111.3D147 F148 V149 F151D145-D147 PolarHBondContact O-N 3.29Å; D145-D147 VanDerWaalsContact O-N 3.16Å; D145-F148 WeakPolarHBondContact O-CA 3.23Å; D145-F148 PolarHBondContact O-N 2.82Å; D145-V149 PolarHBondContact N-O 3.16Å; D145-F151 HydrophobicContact CB-CE1 3.88Å; D145-F151 HydrophobicContact CB-CE2 4.16Å; D145-F151 HydrophobicContact CB-CZ 3.61Å
146K88.6Confident90.1Very high182 Ų18257.1 Ų57.179%0.79128%0.277SS*.THydrogen-bonded Turntrans-55.9-29.8-177.8-64.1158.6-170.5156.30114.2F148K146-F148 VanDerWaalsContact C-N 3.27Å
147D86.4Confident89.9Confident126 Ų12658.8 Ų58.867%0.67429%0.286SS*.THydrogen-bonded Turntrans-89.614.1176.5-64.4-51.7000112.8D145 V149D145-D147 PolarHBondContact O-N 3.29Å; D145-D147 VanDerWaalsContact O-N 3.16Å; D147-V149 HydrophobicContact CB-CG2 4.22Å; D147-V149 PolarHBondContact O-N 2.94Å; D147-V149 VanDerWaalsContact O-N 3.17Å
148F90Very high89.6Confident93 Ų9358.4 Ų58.441%0.40828%0.28SS..SBendtrans62.911.6-179.2-55.6-77.9000115.7N44 V45 Q46 D145 K146N44-F148 WeakPolarHBondContact CA-O 3.35Å; N44-F148 VanDerWaalsContact OD1-CB 3.26Å; N44-F148 WeakPolarHBondContact OD1-CB 3.38Å; V45-F148 PolarHBondContact N-O 3.01Å; Q46-F148 HydrophobicContact CG-CB 4.05Å; Q46-F148 HydrophobicContact CG-CD1 3.77Å; Q46-F148 HydrophobicContact CG-CD2 4.38Å; Q46-F148 HydrophobicContact CG-CE1 4.31Å; Q46-F148 HydrophobicContact CG-CG 3.81Å; D145-F148 WeakPolarHBondContact O-CA 3.23Å; D145-F148 PolarHBondContact O-N 2.82Å; K146-F148 VanDerWaalsContact C-N 3.27Å
149V89.7Confident89.6Confident27 Ų2754 Ų5416%0.16426%0.26CS..  trans-76.7131.9171.9-160.20000109.5H43 V144 D145 D147H43-V149 WeakPolarHBondContact O-CG2 3.45Å; V144-V149 CarbonylContact C-O 3.59Å; V144-V149 VanDerWaalsContact CA-O 3.3Å; V144-V149 WeakPolarHBondContact CA-O 3.4Å; D145-V149 PolarHBondContact N-O 3.16Å; D147-V149 HydrophobicContact CB-CG2 4.22Å; D147-V149 PolarHBondContact O-N 2.94Å; D147-V149 VanDerWaalsContact O-N 3.17Å
150P89.8Confident89.5Confident2 Ų256.6 Ų56.61%0.01328%0.276CS..BIsolated β-bridgetrans-53.6146.6170.9-29.137.8000113.7I42 V45 F143 V144 Q152 I154 R190I42-P150 WeakPolarHBondContact O-CD 3.49Å; V45-P150 HydrophobicContact CB-CG 4.28Å; V45-P150 HydrophobicContact CG2-CG 3.7Å; F143-P150 WeakPolarHBondContact O-CA 3.3Å; V144-P150 HydrophobicContact CG1-CG 4.4Å; P150-Q152 WeakPolarHBondContact CB-O 3.37Å; P150-I154 HydrophobicContact CG-CD1 4.34Å; P150-R190 WeakPolarHBondContact O-CD 3.49Å; P150-R190 PolarHBondContact O-NE 3.16Å
151F86.4Confident89.4Confident94 Ų9457.3 Ų57.341%0.41228%0.281SS..SBendtrans-78-31172.7-78.9-69.2000113.2F143 V144 D145 I191F143-F151 HydrophobicContact CB-CD2 4.02Å; F143-F151 PolarHBondContact O-N 2.72Å; V144-F151 VanDerWaalsContact O-CE2 3.32Å; V144-F151 WeakPolarHBondContact O-CE2 3.41Å; D145-F151 HydrophobicContact CB-CE1 3.88Å; D145-F151 HydrophobicContact CB-CE2 4.16Å; D145-F151 HydrophobicContact CB-CZ 3.61Å; F151-I191 PolarHBondContact O-N 2.88Å
152Q86.1Confident89.2Confident59 Ų5956 Ų5628%0.27628%0.278SS..BIsolated β-bridgetrans-102.3130.5167.5-171.7179.824.200108.5P150 I154 I191 E195 I197P150-Q152 WeakPolarHBondContact CB-O 3.37Å; Q152-I154 PolarHBondContact O-N 3.37Å; Q152-I191 HydrophobicContact CB-CB 4.39Å; Q152-I191 HydrophobicContact CB-CG2 4.47Å; Q152-I191 HydrophobicContact CG-CB 4.42Å; Q152-I191 HydrophobicContact CG-CG2 4.08Å; Q152-E195 PolarHBondContact NE2-O 2.68Å; Q152-E195 VanDerWaalsContact NE2-O 3.11Å; Q152-I197 HydrophobicContact CB-CD1 4.14Å; Q152-I197 HydrophobicContact CG-CD1 4.32Å
153D87.9Confident89Confident6 Ų658.9 Ų58.93%0.03229%0.29CS..PPolyproline II helixtrans-67.7121.5-177-82.9-9.6000112L41 R155 S188 I191 A193L41-D153 HydrophobicContact CD2-CB 3.82Å; L41-D153 VanDerWaalsContact CD2-CG 3.5Å; D153-R155 HydrophobicContact CB-CG 4.42Å; D153-R155 IonicContact OD2-CZ 2.68Å; D153-R155 IonicContact OD2-NE 2.72Å; D153-R155 IonicContact OD2-NH2 3.55Å; D153-R155 PolarHBondContact OD2-NH2 2.88Å; D153-S188 WeakPolarHBondContact OD2-CB 3.4Å; D153-S188 PolarHBondContact OD2-OG 3.08Å; D153-I191 PolarHBondContact N-O 3.19Å; D153-A193 WeakPolarHBondContact O-CA 3.48Å; D153-A193 VanDerWaalsContact O-CB 3.3Å; D153-A193 WeakPolarHBondContact O-CB 3.37Å
154I89.9Confident88.9Confident6 Ų653 Ų533%0.03127%0.266CS..PPolyproline II helixtrans-102.7126.2170.5-49.9169.6000108L9 I42 I139 A142 P150 Q152L9-I154 HydrophobicContact CD1-CD1 3.75Å; L9-I154 HydrophobicContact CD1-CG1 3.99Å; L9-I154 HydrophobicContact CD1-CG2 4.08Å; L9-I154 HydrophobicContact CG-CG2 4.27Å; I42-I154 HydrophobicContact CB-CB 4.26Å; I42-I154 HydrophobicContact CD1-CB 4.12Å; I42-I154 HydrophobicContact CD1-CG2 3.59Å; I42-I154 HydrophobicContact CG1-CB 4.28Å; I42-I154 HydrophobicContact CG1-CG2 4.17Å; I42-I154 PolarHBondContact N-O 2.94Å; I139-I154 HydrophobicContact CB-CD1 4.4Å; I139-I154 HydrophobicContact CG1-CD1 4.25Å; I139-I154 HydrophobicContact CG1-CG2 4.23Å; I139-I154 HydrophobicContact CG2-CD1 4.04Å; A142-I154 HydrophobicContact CB-CD1 4.04Å; P150-I154 HydrophobicContact CG-CD1 4.34Å; Q152-I154 PolarHBondContact O-N 3.37Å
155R90.1Very high88.6Confident11 Ų1154.2 Ų54.24%0.04228%0.275CS..EExtended strand (participates in β ladder)trans-131.3149.4-170.1-60.2163.2179.6-124.22.2111.1T7 T8 C40 L41 D153 Q185 L186T7-R155 VanDerWaalsContact CA-O 3.27Å; T7-R155 WeakPolarHBondContact CA-O 3.45Å; T7-R155 WeakPolarHBondContact CB-O 3.49Å; T8-R155 HydrophobicContact CG2-CB 3.81Å; T8-R155 PolarHBondContact N-O 3.03Å; T8-R155 PolarHBondContact OG1-N 3.26Å; C40-R155 WeakPolarHBondContact O-CA 3.42Å; L41-R155 HydrophobicContact CD2-CG 3.68Å; L41-R155 HydrophobicContact CG-CG 4.4Å; D153-R155 HydrophobicContact CB-CG 4.42Å; D153-R155 IonicContact OD2-CZ 2.68Å; D153-R155 IonicContact OD2-NE 2.72Å; D153-R155 IonicContact OD2-NH2 3.55Å; D153-R155 PolarHBondContact OD2-NH2 2.88Å; R155-Q185 VanDerWaalsContact CZ-O 3.27Å; R155-Q185 PolarHBondContact NH1-O 2.89Å; R155-Q185 PolarHBondContact NH2-O 3.49Å; R155-Q185 VanDerWaalsContact NH2-O 3.12Å; R155-L186 PolarHBondContact NH2-O 3.42Å
156I92.1Very high88.5Confident3 Ų353.7 Ų53.72%0.01527%0.27CS..EExtended strand (participates in β ladder)trans-86109.7165.2-58.7170.5000106.7L5 Y37 N38 Y39 C40 T53 F108 T159L5-I156 HydrophobicContact CD1-CD1 4.45Å; Y37-I156 WeakPolarHBondContact O-CB 3.21Å; N38-I156 CarbonylContact C-O 3.59Å; Y39-I156 WeakPolarHBondContact CA-O 3.39Å; Y39-I156 PolarHBondContact N-O 3.42Å; C40-I156 PolarHBondContact O-N 2.94Å; T53-I156 HydrophobicContact CG2-CD1 4.06Å; F108-I156 HydrophobicContact CZ-CD1 4.14Å; I156-T159 HydrophobicContact CG2-CG2 3.67Å
157N88.9Confident88.2Confident40 Ų4052.4 Ų52.421%0.21427%0.272CS..EExtended strand (participates in β ladder)trans-77-54.3-177.6-69.4-17000110.6E6 T8 N38E6-N157 PolarHBondContact O-N 3.38Å; T8-N157 WeakPolarHBondContact CG2-OD1 3.38Å; N38-N157 PolarHBondContact ND2-O 2.8Å
158H88.3Confident87.7Confident63 Ų6349.8 Ų49.829%0.29226%0.257SS..EExtended strand (participates in β ladder)trans-134.3157.6176.7-60-78.1000112.3E6 N38 S178E6-H158 HydrophobicContact CB-CB 4.24Å; E6-H158 HydrophobicContact CG-CB 4.44Å; E6-H158 PolarHBondContact N-O 2.84Å; E6-H158 PolarHBondContact O-N 2.78Å; E6-H158 WeakPolarHBondContact OE2-CB 3.33Å; E6-H158 IonicContact OE2-CD2 2.88Å; E6-H158 PolarHBondContact OE2-CD2 2.84Å; E6-H158 IonicContact OE2-CG 2.71Å; N38-H158 PolarHBondContact ND2-ND1 3.33Å; H158-S178 WeakPolarHBondContact ND1-CB 3.42Å; H158-S178 PolarHBondContact ND1-OG 2.84Å
159T91.2Very high87.1Confident1 Ų147.3 Ų47.31%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-124.7128.6172.355.30000109.2L4 L5 C32 K35 N38 I156L4-T159 WeakPolarHBondContact O-CA 3.42Å; L5-T159 HydrophobicContact CD2-CG2 3.49Å; L5-T159 VanDerWaalsContact CD2-CG2 3.49Å; C32-T159 PolarHBondContact O-OG1 3.44Å; K35-T159 PolarHBondContact NZ-O 2.97Å; N38-T159 PolarHBondContact OD1-OG1 3.28Å; I156-T159 HydrophobicContact CG2-CG2 3.67Å
160V90.2Very high85.8Confident55 Ų5551 Ų5133%0.33328%0.284SS..EExtended strand (participates in β ladder)trans-124.7116.6179.5-175.40000108.3L4 L162L4-V160 HydrophobicContact CB-CB 4.21Å; L4-V160 HydrophobicContact CD2-CB 4.33Å; L4-V160 PolarHBondContact N-O 3.03Å; L4-V160 PolarHBondContact O-N 2.9Å; V160-L162 HydrophobicContact CG1-CD2 4.15Å; V160-L162 PolarHBondContact O-N 3.26Å
161V90.8Very high84.8Confident32 Ų3257.6 Ų57.619%0.19432%0.319CS..EExtended strand (participates in β ladder)trans-82.3116.8175.1179.50000107.4V3 L29 C32 K33 D163 D164V3-V161 HydrophobicContact CG2-CG2 4.3Å; L29-V161 HydrophobicContact CD2-CG1 3.53Å; L29-V161 HydrophobicContact CD2-CG2 4.28Å; C32-V161 HydrophobicContact CB-CG2 3.57Å; K33-V161 HydrophobicContact CG-CG2 4.28Å; V161-D163 WeakPolarHBondContact CG1-O 3.3Å; V161-D164 HydrophobicContact CG1-CB 3.91Å
162L88.7Confident84.1Confident102 Ų10254 Ų5453%0.53430%0.304SS..SBendtrans-85.2-31.3-177.5-55.6176.9000111.2A2 L4 V160A2-L162 HydrophobicContact CB-CB 4.31Å; A2-L162 HydrophobicContact CB-CD1 3.93Å; A2-L162 WeakPolarHBondContact O-CB 3.12Å; A2-L162 PolarHBondContact O-N 2.88Å; L4-L162 HydrophobicContact CB-CD1 4.37Å; L4-L162 HydrophobicContact CB-CD2 4.4Å; L4-L162 HydrophobicContact CB-CG 4.38Å; V160-L162 HydrophobicContact CG1-CD2 4.15Å; V160-L162 PolarHBondContact O-N 3.26Å
163D85.5Confident83.3Confident81 Ų8155.2 Ų55.243%0.43332%0.317SS..  trans-150133.8-179.5-177.229.2000109.7M1 A2 V161M1-D163 HydrophobicContact CB-CB 4.44Å; M1-D163 VanDerWaalsContact CG-OD2 3.31Å; M1-D163 WeakPolarHBondContact CG-OD2 3.41Å; A2-D163 PolarHBondContact O-N 2.94Å; V161-D163 WeakPolarHBondContact CG1-O 3.3Å
164D86.6Confident82.6Confident34 Ų3458.9 Ų58.918%0.18234%0.336CS..  trans-139.7113.8178.5-175.3-0000109.3K30 K33 V161 F166K30-D164 IonicContact NZ-OD1 2.75Å; K30-D164 PolarHBondContact NZ-OD1 3.43Å; K30-D164 IonicContact NZ-OD2 3.81Å; K30-D164 PolarHBondContact NZ-OD2 2.91Å; K33-D164 WeakPolarHBondContact CE-OD2 3.44Å; K33-D164 IonicContact NZ-OD2 2.64Å; K33-D164 PolarHBondContact NZ-OD2 3Å; V161-D164 HydrophobicContact CG1-CB 3.91Å; D164-F166 VanDerWaalsContact C-N 3.33Å; D164-F166 PolarHBondContact OD1-N 2.99Å
165P85.8Confident81.7Confident63 Ų6361 Ų6141%0.40935%0.35SS..  trans-84.5-9-177.939.3-41.2000112.8M1 T18M1-P165 HydrophobicContact CE-CB 3.88Å; M1-P165 HydrophobicContact CE-CG 4.15Å; M1-P165 HydrophobicContact SD-CB 3.64Å; M1-P165 VanDerWaalsContact SD-CD 3.54Å; M1-P165 HydrophobicContact SD-CG 3.35Å; M1-P165 WeakPolarHBondContact SD-CG 3.45Å; T18-P165 HydrophobicContact CG2-CG 4.21Å
166F84.8Confident80.5Confident47 Ų4768.6 Ų68.621%0.20639%0.391CS..SBendtrans-99.8135.6-171.1-56.8-68.8000110.3T18 P22 L26 L29 K30 D164T18-F166 HydrophobicContact CG2-CE2 3.98Å; T18-F166 HydrophobicContact CG2-CZ 4.27Å; P22-F166 HydrophobicContact CB-CE1 4.26Å; P22-F166 HydrophobicContact CB-CZ 4.28Å; L26-F166 HydrophobicContact CB-CD2 3.96Å; L26-F166 HydrophobicContact CB-CE2 4.08Å; L26-F166 HydrophobicContact CB-CG 4.24Å; L26-F166 HydrophobicContact CB-CZ 4.48Å; L26-F166 HydrophobicContact CD1-CB 4.18Å; L26-F166 HydrophobicContact CD1-CD1 4.17Å; L26-F166 HydrophobicContact CD1-CG 4.07Å; L26-F166 HydrophobicContact CG-CB 4.4Å; L26-F166 HydrophobicContact CG-CD2 4.34Å; L26-F166 HydrophobicContact CG-CG 4.25Å; L29-F166 HydrophobicContact CD1-CD2 3.74Å; L29-F166 HydrophobicContact CD1-CE2 3.82Å; K30-F166 PolarHBondContact NZ-O 2.96Å; D164-F166 VanDerWaalsContact C-N 3.33Å; D164-F166 PolarHBondContact OD1-N 2.99Å
167D82.2Confident79.3Confident156 Ų15678.6 Ų78.683%0.83443%0.429SS*.PPolyproline II helixtrans-55.1147169.3-64.3-57.3000111.2K30K30-D167 WeakPolarHBondContact CE-O 3.34Å; K30-D167 PolarHBondContact NZ-O 3.29Å; K30-D167 VanDerWaalsContact NZ-O 3.17Å
168D77.7Confident78.3Confident70 Ų7078.6 Ų78.637%0.37443%0.432SS..PPolyproline II helixtrans-82.3128.4174.4-72.8-42.7000110.3K30 K33K30-D168 WeakPolarHBondContact CD-OD1 3.19Å; K30-D168 WeakPolarHBondContact CE-OD1 3.12Å; K30-D168 IonicContact NZ-OD1 3.52Å; K30-D168 PolarHBondContact NZ-OD1 2.79Å; K33-D168 VanDerWaalsContact CD-OD1 3.22Å; K33-D168 WeakPolarHBondContact CD-OD1 3.38Å; K33-D168 IonicContact NZ-OD1 3.59Å; K33-D168 PolarHBondContact NZ-OD1 2.85Å; K33-D168 IonicContact NZ-OD2 3.57Å; K33-D168 PolarHBondContact NZ-OD2 3.47Å
169P76Confident77.4Confident42 Ų4279 Ų7927%0.27344%0.44SS..PPolyproline II helixtrans-67.5136.317624-27.5000110.3L70 D171 L172L70-P169 HydrophobicContact CD1-CB 4.12Å; L70-P169 HydrophobicContact CD1-CG 3.77Å; L70-P169 HydrophobicContact CD2-CB 4.05Å; L70-P169 HydrophobicContact CD2-CG 4.01Å; P169-D171 PolarHBondContact O-N 2.78Å; P169-L172 HydrophobicContact CG-CB 4.19Å; P169-L172 HydrophobicContact CG-CD1 4.43Å; P169-L172 VanDerWaalsContact O-CB 3.25Å; P169-L172 WeakPolarHBondContact O-CB 3.24Å; P169-L172 PolarHBondContact O-N 3.37Å
170A62.8Low76.3Confident103 Ų10387.5 Ų87.585%0.85148%0.48SS*.THydrogen-bonded Turntrans-59.4-27.3-163.700000115.6
171D68.3Low75.2Confident141 Ų14186.6 Ų86.675%0.75448%0.475SS*.THydrogen-bonded Turntrans-95.512.8-178.7-56.9-68.9000113.5P169 P173P169-D171 PolarHBondContact O-N 2.78Å; D171-P173 WeakPolarHBondContact O-CD 3.37Å
172L71.7Confident74.2Confident18 Ų1888.7 Ų88.79%0.09449%0.488CS..  trans-76.2118.3-178-163.874.4000111.6K30 I34 V66 L70 P169 I174K30-L172 HydrophobicContact CB-CD2 4.14Å; K30-L172 HydrophobicContact CD-CD2 4.35Å; K30-L172 HydrophobicContact CG-CD2 4.5Å; I34-L172 HydrophobicContact CG2-CD1 3.77Å; I34-L172 HydrophobicContact CG2-CD2 3.84Å; I34-L172 HydrophobicContact CG2-CG 3.54Å; V66-L172 HydrophobicContact CG2-CD1 3.61Å; L70-L172 HydrophobicContact CD2-CD1 4.33Å; P169-L172 HydrophobicContact CG-CB 4.19Å; P169-L172 HydrophobicContact CG-CD1 4.43Å; P169-L172 VanDerWaalsContact O-CB 3.25Å; P169-L172 WeakPolarHBondContact O-CB 3.24Å; P169-L172 PolarHBondContact O-N 3.37Å; L172-I174 HydrophobicContact CD2-CD1 4.32Å; L172-I174 HydrophobicContact CD2-CG1 4.02Å; L172-I174 HydrophobicContact CG-CG1 4.33Å; L172-I174 PolarHBondContact O-N 2.98Å
173P69Low72.9Confident86 Ų8692.3 Ų92.356%0.55850%0.499SS*.  trans-78.485.2179.132.3-34.5000110.6I34 D171 P175I34-P173 WeakPolarHBondContact CG2-O 3.41Å; D171-P173 WeakPolarHBondContact O-CD 3.37Å; P173-P175 WeakPolarHBondContact O-CD 3.34Å
174I74.3Confident71.9Confident83 Ų8396.6 Ų96.643%0.42652%0.517SS..  trans-79.9117.3171.5-56.4176.1000108.1L172L172-I174 HydrophobicContact CD2-CD1 4.32Å; L172-I174 HydrophobicContact CD2-CG1 4.02Å; L172-I174 HydrophobicContact CG-CG1 4.33Å; L172-I174 PolarHBondContact O-N 2.98Å
175P70.9Confident70.9Confident49 Ų4996.8 Ų96.832%0.31852%0.517SS..  trans-82135.8178.533.9-33.9000111K35 P173 R177K35-P175 HydrophobicContact CB-CG 4.39Å; K35-P175 HydrophobicContact CG-CG 3.98Å; P173-P175 WeakPolarHBondContact O-CD 3.34Å; P175-R177 WeakPolarHBondContact CB-O 3.35Å; P175-R177 PolarHBondContact O-N 3.26Å
176D65.6Low69.8Low171 Ų17198 Ų9891%0.91452%0.519SS*.SBendtrans-58.3-17.8179.1-67.7-36.7000114.1
177R66.5Low68.6Low214 Ų214102 Ų10281%0.80854%0.543SS*.SBendtrans-141.8155.2178.8-62.8-173.1177.3-153.8-4.4109.4P175P175-R177 WeakPolarHBondContact CB-O 3.35Å; P175-R177 PolarHBondContact O-N 3.26Å
178S68Low67.6Low40 Ų4096.2 Ų96.228%0.2852%0.515SS..PPolyproline II helixtrans-60134.9168-64.40000109.5N38 H158N38-S178 WeakPolarHBondContact ND2-CB 3.42Å; N38-S178 PolarHBondContact ND2-OG 3.3Å; N38-S178 VanDerWaalsContact ND2-OG 3.14Å; H158-S178 WeakPolarHBondContact ND1-CB 3.42Å; H158-S178 PolarHBondContact ND1-OG 2.84Å
179P69.4Low66.6Low70 Ų7096.4 Ų96.446%0.45553%0.533SS..PPolyproline II helixtrans-64.5146.9177.427.7-34.2000110.6K35K35-P179 HydrophobicContact CB-CG 4.44Å
180E66.7Low66.2Low180 Ų18099 Ų9984%0.84154%0.537SS*.PPolyproline II helixtrans-66.8144.7170.2-68.6-178.6179.700110T182E180-T182 PolarHBondContact O-N 2.97Å
181P67.9Low66.5Low36 Ų3697.3 Ų97.323%0.23451%0.513CS..PPolyproline II helixtrans-64.6134.5-177.425.1-33.5000112Y39 L186Y39-P181 HydrophobicContact CD1-CB 3.84Å; Y39-P181 HydrophobicContact CD1-CG 4.44Å; Y39-P181 HydrophobicContact CD2-CB 3.7Å; Y39-P181 HydrophobicContact CD2-CG 4.33Å; Y39-P181 HydrophobicContact CE1-CB 3.92Å; Y39-P181 HydrophobicContact CE1-CG 4.01Å; Y39-P181 HydrophobicContact CE2-CB 3.79Å; Y39-P181 HydrophobicContact CE2-CG 3.89Å; Y39-P181 HydrophobicContact CG-CB 3.72Å; P181-L186 HydrophobicContact CB-CD1 4.36Å; P181-L186 HydrophobicContact CB-CD2 3.84Å; P181-L186 HydrophobicContact CB-CG 3.96Å; P181-L186 HydrophobicContact CG-CD1 4.1Å; P181-L186 HydrophobicContact CG-CD2 3.91Å; P181-L186 HydrophobicContact CG-CG 4.17Å
182T68.9Low66.4Low76 Ų7691.4 Ų91.447%0.46649%0.486SS..PPolyproline II helixtrans-66.1144.6172.8-45.50000109.6E180 E184 Q185 L186E180-T182 PolarHBondContact O-N 2.97Å; T182-E184 HydrophobicContact CG2-CB 4.39Å; T182-E184 PolarHBondContact O-N 2.88Å; T182-Q185 WeakPolarHBondContact O-CA 3.33Å; T182-Q185 WeakPolarHBondContact O-CB 3.3Å; T182-Q185 PolarHBondContact O-N 3.45Å; T182-Q185 PolarHBondContact OG1-OE1 2.81Å; T182-L186 PolarHBondContact O-N 2.83Å; T182-L186 VanDerWaalsContact O-N 3.1Å
183K61.8Low65.8Low179 Ų17991.6 Ų91.678%0.77849%0.49SS*.Hα-helixtrans-55.7-37.4178.2-66.7-172.5177.3-173.80113Q185 L186 D187K183-Q185 VanDerWaalsContact C-N 3.26Å; K183-Q185 PolarHBondContact O-N 3.14Å; K183-L186 PolarHBondContact O-N 2.97Å; K183-L186 VanDerWaalsContact O-N 3.16Å; K183-D187 WeakPolarHBondContact O-CB 3.27Å; K183-D187 PolarHBondContact O-N 3.09Å
184E64.4Low65.3Low171 Ų17194.7 Ų94.780%0.79950%0.502SS*.Hα-helixtrans-67.1-22.4175.2-61.3175-178.800113.5T182T182-E184 HydrophobicContact CG2-CB 4.39Å; T182-E184 PolarHBondContact O-N 2.88Å
185Q66Low64.6Low38 Ų3896.2 Ų96.218%0.17851%0.507CS..Hα-helixtrans-82.6-32.8171.2-63.7172.8-86.100111.1R155 T182 K183R155-Q185 VanDerWaalsContact CZ-O 3.27Å; R155-Q185 PolarHBondContact NH1-O 2.89Å; R155-Q185 PolarHBondContact NH2-O 3.49Å; R155-Q185 VanDerWaalsContact NH2-O 3.12Å; T182-Q185 WeakPolarHBondContact O-CA 3.33Å; T182-Q185 WeakPolarHBondContact O-CB 3.3Å; T182-Q185 PolarHBondContact O-N 3.45Å; T182-Q185 PolarHBondContact OG1-OE1 2.81Å; K183-Q185 VanDerWaalsContact C-N 3.26Å; K183-Q185 PolarHBondContact O-N 3.14Å
186L63.3Low64Low87 Ų8799.9 Ų99.946%0.45553%0.528SS..Hα-helixtrans-71.5-51.9176.5-66.7175.8000111.4R155 P181 T182 K183 S188R155-L186 PolarHBondContact NH2-O 3.42Å; P181-L186 HydrophobicContact CB-CD1 4.36Å; P181-L186 HydrophobicContact CB-CD2 3.84Å; P181-L186 HydrophobicContact CB-CG 3.96Å; P181-L186 HydrophobicContact CG-CD1 4.1Å; P181-L186 HydrophobicContact CG-CD2 3.91Å; P181-L186 HydrophobicContact CG-CG 4.17Å; T182-L186 PolarHBondContact O-N 2.83Å; T182-L186 VanDerWaalsContact O-N 3.1Å; K183-L186 PolarHBondContact O-N 2.97Å; K183-L186 VanDerWaalsContact O-N 3.16Å; L186-S188 PolarHBondContact O-N 3.13Å
187D59.4Low63.5Low132 Ų13296.4 Ų96.471%0.70651%0.508SS*.  trans-81.677.5-173.8-167.15.3000112.2K183K183-D187 WeakPolarHBondContact O-CB 3.27Å; K183-D187 PolarHBondContact O-N 3.09Å
188S60.5Low62.8Low35 Ų3589.9 Ų89.925%0.24549%0.49CS..  trans-85.1-8178.6650000114.3D153 L186 R190D153-S188 WeakPolarHBondContact OD2-CB 3.4Å; D153-S188 PolarHBondContact OD2-OG 3.08Å; L186-S188 PolarHBondContact O-N 3.13Å; S188-R190 PolarHBondContact O-N 3.3Å; S188-R190 PolarHBondContact OG-N 2.85Å
189G57.3Low62.2Low73 Ų7394.8 Ų94.875%0.75351%0.512SS*.SBendtrans66.414.2-169.300000115.1
190R67.7Low61.4Low98 Ų9894.4 Ų94.437%0.3751%0.509SS..SBendtrans-116.4174.5176.5-71.3-165.5177.3782.6111.9P150 S188 G192P150-R190 WeakPolarHBondContact O-CD 3.49Å; P150-R190 PolarHBondContact O-NE 3.16Å; S188-R190 PolarHBondContact O-N 3.3Å; S188-R190 PolarHBondContact OG-N 2.85Å; R190-G192 PolarHBondContact O-N 2.64Å
191I69.4Low60.3Low67 Ų6792.8 Ų92.834%0.34451%0.506SS..BIsolated β-bridgetrans-60.3123.5174.3-57172.2000108.1F151 Q152 D153 E195 I197F151-I191 PolarHBondContact O-N 2.88Å; Q152-I191 HydrophobicContact CB-CB 4.39Å; Q152-I191 HydrophobicContact CB-CG2 4.47Å; Q152-I191 HydrophobicContact CG-CB 4.42Å; Q152-I191 HydrophobicContact CG-CG2 4.08Å; D153-I191 PolarHBondContact N-O 3.19Å; I191-E195 WeakPolarHBondContact CA-OE2 2.97Å; I191-E195 HydrophobicContact CG2-CB 3.88Å; I191-I197 HydrophobicContact CD1-CD1 4.31Å; I191-I197 HydrophobicContact CG2-CD1 4.44Å; I191-I197 HydrophobicContact CG2-CG1 4.1Å
192G64.9Low59.4Low17 Ų1794.8 Ų94.818%0.17553%0.533CS..  trans-62.4151.4-177.400000112.2R190 D194 E195R190-G192 PolarHBondContact O-N 2.64Å; G192-D194 PolarHBondContact O-N 2.88Å; G192-E195 PolarHBondContact N-OE2 2.92Å; G192-E195 WeakPolarHBondContact O-CB 3.48Å; G192-E195 PolarHBondContact O-N 2.64Å; G192-E195 VanDerWaalsContact O-N 3.07Å
193A60.2Low58.6Low22 Ų2294.8 Ų94.818%0.18253%0.527CS..THydrogen-bonded Turntrans-59.6-34.4175.200000112.7T8 D153T8-A193 HydrophobicContact CG2-CB 3.5Å; T8-A193 VanDerWaalsContact CG2-CB 3.5Å; D153-A193 WeakPolarHBondContact O-CA 3.48Å; D153-A193 VanDerWaalsContact O-CB 3.3Å; D153-A193 WeakPolarHBondContact O-CB 3.37Å
194D58.8Low58.2Low151 Ų15188.6 Ų88.681%0.80751%0.514SS*.THydrogen-bonded Turntrans-90.5-2.8178.6-52.8-52.2000112.7G192 V196G192-D194 PolarHBondContact O-N 2.88Å; D194-V196 PolarHBondContact O-N 3.38Å
195E60.1Low57.8Low115 Ų11584.2 Ų84.254%0.53751%0.507SS..  trans-81.1111.2175.1-66.9-173.9150.400109.3Q152 I191 G192 I197Q152-E195 PolarHBondContact NE2-O 2.68Å; Q152-E195 VanDerWaalsContact NE2-O 3.11Å; I191-E195 WeakPolarHBondContact CA-OE2 2.97Å; I191-E195 HydrophobicContact CG2-CB 3.88Å; G192-E195 PolarHBondContact N-OE2 2.92Å; G192-E195 WeakPolarHBondContact O-CB 3.48Å; G192-E195 PolarHBondContact O-N 2.64Å; G192-E195 VanDerWaalsContact O-N 3.07Å; E195-I197 PolarHBondContact O-N 2.82Å
196V57.8Low57.5Low126 Ų12690.3 Ų90.376%0.76454%0.535SS*.  trans-66.9118.5173.3-177.70000108.3D194 D198D194-V196 PolarHBondContact O-N 3.38Å; V196-D198 HydrophobicContact CG1-CB 4.36Å; V196-D198 PolarHBondContact O-N 2.9Å
197I55.3Low57.3Low98 Ų9889.7 Ų89.750%0.50353%0.53SS..  trans-73.782.6171.1-55.1177.9000108Q152 I191 E195Q152-I197 HydrophobicContact CB-CD1 4.14Å; Q152-I197 HydrophobicContact CG-CD1 4.32Å; I191-I197 HydrophobicContact CD1-CD1 4.31Å; I191-I197 HydrophobicContact CG2-CD1 4.44Å; I191-I197 HydrophobicContact CG2-CG1 4.1Å; E195-I197 PolarHBondContact O-N 2.82Å
198D51.3Low57Low77 Ų7786.6 Ų86.641%0.41251%0.513SS..  trans-90.1100.4177.5-163.3-42.4000109.9V196 T200 D201V196-D198 HydrophobicContact CG1-CB 4.36Å; V196-D198 PolarHBondContact O-N 2.9Å; D198-T200 PolarHBondContact O-N 2.93Å; D198-T200 VanDerWaalsContact OD1-CA 3.26Å; D198-T200 WeakPolarHBondContact OD1-CA 3.18Å; D198-T200 VanDerWaalsContact OD1-CB 3.3Å; D198-T200 WeakPolarHBondContact OD1-CB 3.43Å; D198-T200 PolarHBondContact OD1-N 2.94Å; D198-T200 PolarHBondContact OD1-OG1 2.64Å; D198-D201 HydrophobicContact CB-CB 3.92Å; D198-D201 PolarHBondContact O-N 2.99Å; D198-D201 PolarHBondContact OD1-N 3.38Å
199D54.4Low57.2Low142 Ų14290 Ų9076%0.75953%0.525SS*.SBendtrans-60-5.8174.1-90.3-21.9000113.9
200T52.8Low58Low63 Ų6392.8 Ų92.839%0.38752%0.519SS..SBendtrans-114.9-27.3-177.625.60000114.7D198 G202 K203 L208D198-T200 PolarHBondContact O-N 2.93Å; D198-T200 VanDerWaalsContact OD1-CA 3.26Å; D198-T200 WeakPolarHBondContact OD1-CA 3.18Å; D198-T200 VanDerWaalsContact OD1-CB 3.3Å; D198-T200 WeakPolarHBondContact OD1-CB 3.43Å; D198-T200 PolarHBondContact OD1-N 2.94Å; D198-T200 PolarHBondContact OD1-OG1 2.64Å; T200-G202 PolarHBondContact O-N 3.41Å; T200-K203 PolarHBondContact O-N 3.08Å; T200-K203 VanDerWaalsContact O-N 3.08Å; T200-L208 HydrophobicContact CG2-CD1 3.84Å; T200-L208 HydrophobicContact CG2-CD2 3.86Å; T200-L208 HydrophobicContact CG2-CG 3.97Å
201D44.8Very low57.8Low145 Ų14594.6 Ų94.678%0.77553%0.525SS*.THydrogen-bonded Turntrans-77115.1-175-142.411.6000111.6D198D198-D201 HydrophobicContact CB-CB 3.92Å; D198-D201 PolarHBondContact O-N 2.99Å; D198-D201 PolarHBondContact OD1-N 3.38Å
202G49.3Very low57.5Low78 Ų7895.8 Ų95.880%0.80453%0.532SS*.THydrogen-bonded Turntrans110.1-12-168.200000114.6T200T200-G202 PolarHBondContact O-N 3.41Å
203K51.4Low58.1Low77 Ų77100.3 Ų100.334%0.33555%0.547SS..SBendtrans-85.1124.3168-67.5-174.8166.9-72.40110T200 E207T200-K203 PolarHBondContact O-N 3.08Å; T200-K203 VanDerWaalsContact O-N 3.08Å; K203-E207 WeakPolarHBondContact CD-OE2 3.43Å; K203-E207 WeakPolarHBondContact CG-OE2 3.46Å; K203-E207 IonicContact NZ-OE1 2.81Å; K203-E207 PolarHBondContact NZ-OE1 2.7Å; K203-E207 IonicContact NZ-OE2 3.82Å; K203-E207 PolarHBondContact NZ-OE2 3.03Å
204G52.6Low58.7Low48 Ų48104 Ų10450%0.49556%0.56SS.*  trans-57.8144.6174.800000111E206 E207 L208G204-E206 PolarHBondContact O-N 3.07Å; G204-E207 PolarHBondContact O-N 2.8Å; G204-L208 PolarHBondContact O-N 2.86Å
205A56.9Low59.2Low79 Ų79103.3 Ų103.365%0.65355%0.55SS*.Hα-helixtrans-53.2-28.6-174.500000113.7L208 E209A205-L208 WeakPolarHBondContact O-CB 3.11Å; A205-L208 PolarHBondContact O-N 3.2Å; A205-E209 PolarHBondContact O-N 3.29Å
206E58.4Low59.9Low167 Ų167103 Ų10378%0.7855%0.549SS*.Hα-helixtrans-63.9-42.5176-59.6179.513900113G204 L208 E209 E210G204-E206 PolarHBondContact O-N 3.07Å; E206-L208 VanDerWaalsContact C-N 3.29Å; E206-L208 PolarHBondContact O-N 3.11Å; E206-E209 PolarHBondContact O-N 2.88Å; E206-E210 WeakPolarHBondContact O-CB 3.48Å; E206-E210 PolarHBondContact O-N 2.91Å
207E59.9Low60.7Low73 Ų7399.8 Ų99.834%0.34154%0.535SS..Hα-helixtrans-69-32.5178.1-157.8-152.4141.400111.2K203 G204 R211K203-E207 WeakPolarHBondContact CD-OE2 3.43Å; K203-E207 WeakPolarHBondContact CG-OE2 3.46Å; K203-E207 IonicContact NZ-OE1 2.81Å; K203-E207 PolarHBondContact NZ-OE1 2.7Å; K203-E207 IonicContact NZ-OE2 3.82Å; K203-E207 PolarHBondContact NZ-OE2 3.03Å; G204-E207 PolarHBondContact O-N 2.8Å; E207-R211 WeakPolarHBondContact O-CB 3.41Å; E207-R211 PolarHBondContact O-N 3.28Å
208L53.5Low61.5Low68 Ų68100.3 Ų100.336%0.35653%0.534SS..Hα-helixtrans-67.7-44.7174.1-115.8166.4000111.3T200 G204 A205 E206 L212T200-L208 HydrophobicContact CG2-CD1 3.84Å; T200-L208 HydrophobicContact CG2-CD2 3.86Å; T200-L208 HydrophobicContact CG2-CG 3.97Å; G204-L208 PolarHBondContact O-N 2.86Å; A205-L208 WeakPolarHBondContact O-CB 3.11Å; A205-L208 PolarHBondContact O-N 3.2Å; E206-L208 VanDerWaalsContact C-N 3.29Å; E206-L208 PolarHBondContact O-N 3.11Å; L208-L212 WeakPolarHBondContact O-CB 3.4Å; L208-L212 WeakPolarHBondContact O-CG 3.49Å; L208-L212 PolarHBondContact O-N 2.94Å
209E64.6Low62.2Low105 Ų105100.8 Ų100.849%0.49154%0.54SS..Hα-helixtrans-67.6-37175.9-157.9-169.7154.100111.9A205 E206 L212 K213A205-E209 PolarHBondContact O-N 3.29Å; E206-E209 PolarHBondContact O-N 2.88Å; E209-L212 PolarHBondContact O-N 2.89Å; E209-K213 HydrophobicContact CG-CD 4.47Å; E209-K213 WeakPolarHBondContact O-CB 3.28Å; E209-K213 VanDerWaalsContact O-CG 3.3Å; E209-K213 WeakPolarHBondContact O-CG 3.19Å; E209-K213 PolarHBondContact O-N 2.95Å; E209-K213 WeakPolarHBondContact OE1-CE 3.43Å; E209-K213 IonicContact OE1-NZ 4Å; E209-K213 PolarHBondContact OE1-NZ 2.88Å; E209-K213 IonicContact OE2-NZ 2.64Å
210E74.1Confident63Low133 Ų13399.5 Ų99.562%0.62153%0.529SS*.Hα-helixtrans-65.7-45.2174.9-173.6168.8-134.700111.9E206 L212 K213 E214E206-E210 WeakPolarHBondContact O-CB 3.48Å; E206-E210 PolarHBondContact O-N 2.91Å; E210-L212 VanDerWaalsContact C-N 3.3Å; E210-L212 PolarHBondContact O-N 3.3Å; E210-K213 PolarHBondContact O-N 2.92Å; E210-E214 PolarHBondContact O-N 2.83Å
211R64Low63.5Low136 Ų13698.6 Ų98.651%0.51353%0.528SS..Hα-helixtrans-64.6-30.9173.2-87.4-178.7153.3-164.7-3.5113.3E207 K215E207-R211 WeakPolarHBondContact O-CB 3.41Å; E207-R211 PolarHBondContact O-N 3.28Å; R211-K215 WeakPolarHBondContact O-CB 3.32Å; R211-K215 VanDerWaalsContact O-CG 3.27Å; R211-K215 WeakPolarHBondContact O-CG 3.19Å; R211-K215 PolarHBondContact O-N 2.84Å; R211-K215 VanDerWaalsContact O-N 3.15Å
212L62.8Low64.6Low92 Ų9296 Ų9648%0.48251%0.513SS..Hα-helixtrans-69.3-47.6171.4-77166.8000110.9L208 E209 E210 E214 K215 E216L208-L212 WeakPolarHBondContact O-CB 3.4Å; L208-L212 WeakPolarHBondContact O-CG 3.49Å; L208-L212 PolarHBondContact O-N 2.94Å; E209-L212 PolarHBondContact O-N 2.89Å; E210-L212 VanDerWaalsContact C-N 3.3Å; E210-L212 PolarHBondContact O-N 3.3Å; L212-E214 VanDerWaalsContact C-N 3.33Å; L212-E214 PolarHBondContact O-N 2.89Å; L212-K215 PolarHBondContact O-N 3.29Å; L212-K215 VanDerWaalsContact O-N 3.08Å; L212-E216 WeakPolarHBondContact O-CB 3.16Å; L212-E216 WeakPolarHBondContact O-CG 3.4Å; L212-E216 PolarHBondContact O-N 2.94Å
213K76.9Confident65.3Low112 Ų11297.2 Ų97.249%0.48750%0.501SS..Hα-helixtrans-58.8-40174.7-74.5165.2-176.31610112.6E209 E210 A217E209-K213 HydrophobicContact CG-CD 4.47Å; E209-K213 WeakPolarHBondContact O-CB 3.28Å; E209-K213 VanDerWaalsContact O-CG 3.3Å; E209-K213 WeakPolarHBondContact O-CG 3.19Å; E209-K213 PolarHBondContact O-N 2.95Å; E209-K213 WeakPolarHBondContact OE1-CE 3.43Å; E209-K213 IonicContact OE1-NZ 4Å; E209-K213 PolarHBondContact OE1-NZ 2.88Å; E209-K213 IonicContact OE2-NZ 2.64Å; E210-K213 PolarHBondContact O-N 2.92Å; K213-A217 WeakPolarHBondContact O-CB 3.47Å; K213-A217 PolarHBondContact O-N 2.85Å
214E73.7Confident65.7Low99 Ų9997.2 Ų97.246%0.46350%0.504SS..Hα-helixtrans-60.2-47.5171.8-86-142.6129.600111.9E210 L212 A217 K218E210-E214 PolarHBondContact O-N 2.83Å; L212-E214 VanDerWaalsContact C-N 3.33Å; L212-E214 PolarHBondContact O-N 2.89Å; E214-A217 PolarHBondContact O-N 2.84Å; E214-K218 VanDerWaalsContact O-CB 3.26Å; E214-K218 WeakPolarHBondContact O-CB 3.47Å; E214-K218 WeakPolarHBondContact O-CD 3.3Å; E214-K218 WeakPolarHBondContact O-CG 3.41Å; E214-K218 PolarHBondContact O-N 2.91Å; E214-K218 IonicContact OE1-NZ 2.81Å; E214-K218 PolarHBondContact OE1-NZ 2.75Å; E214-K218 IonicContact OE2-NZ 2.82Å; E214-K218 PolarHBondContact OE2-NZ 2.85Å
215K69.2Low66Low136 Ų136101.2 Ų101.259%0.59151%0.51SS*.Hα-helixtrans-66.7-38.8-179.5-74.8171.8-179.3178.80111.4R211 L212 T219R211-K215 WeakPolarHBondContact O-CB 3.32Å; R211-K215 VanDerWaalsContact O-CG 3.27Å; R211-K215 WeakPolarHBondContact O-CG 3.19Å; R211-K215 PolarHBondContact O-N 2.84Å; R211-K215 VanDerWaalsContact O-N 3.15Å; L212-K215 PolarHBondContact O-N 3.29Å; L212-K215 VanDerWaalsContact O-N 3.08Å; K215-T219 WeakPolarHBondContact O-CB 3.31Å; K215-T219 WeakPolarHBondContact O-CG2 3.42Å; K215-T219 PolarHBondContact O-N 2.87Å; K215-T219 PolarHBondContact O-OG1 3.45Å
216E74.4Confident65.6Low110 Ų110104.7 Ų104.751%0.51451%0.514SS..Hα-helixtrans-66.1-45.4173.2-72.7-172.8169.300111.5L212 K218 T219 Q220L212-E216 WeakPolarHBondContact O-CB 3.16Å; L212-E216 WeakPolarHBondContact O-CG 3.4Å; L212-E216 PolarHBondContact O-N 2.94Å; E216-K218 PolarHBondContact O-N 3.4Å; E216-T219 WeakPolarHBondContact CA-OG1 3.33Å; E216-T219 PolarHBondContact O-N 3.16Å; E216-T219 PolarHBondContact O-OG1 2.95Å; E216-Q220 VanDerWaalsContact O-CB 3.23Å; E216-Q220 WeakPolarHBondContact O-CB 3.48Å; E216-Q220 WeakPolarHBondContact O-CG 3.34Å; E216-Q220 PolarHBondContact O-N 2.91Å
217A75.5Confident65.8Low58 Ų58101.6 Ų101.648%0.47951%0.506SS..Hα-helixtrans-62.3-4417600000112K213 E214 Q220 A221K213-A217 WeakPolarHBondContact O-CB 3.47Å; K213-A217 PolarHBondContact O-N 2.85Å; E214-A217 PolarHBondContact O-N 2.84Å; A217-Q220 PolarHBondContact O-N 3.45Å; A217-A221 VanDerWaalsContact O-CB 3.28Å; A217-A221 WeakPolarHBondContact O-CB 3.35Å; A217-A221 PolarHBondContact O-N 2.97Å
218K70.3Confident65.5Low109 Ų109100.8 Ų100.847%0.47452%0.518SS..Hα-helixtrans-66.1-42.3178-71.1163.8-171.2174.20111.4E214 E216 I222E214-K218 VanDerWaalsContact O-CB 3.26Å; E214-K218 WeakPolarHBondContact O-CB 3.47Å; E214-K218 WeakPolarHBondContact O-CD 3.3Å; E214-K218 WeakPolarHBondContact O-CG 3.41Å; E214-K218 PolarHBondContact O-N 2.91Å; E214-K218 IonicContact OE1-NZ 2.81Å; E214-K218 PolarHBondContact OE1-NZ 2.75Å; E214-K218 IonicContact OE2-NZ 2.82Å; E214-K218 PolarHBondContact OE2-NZ 2.85Å; E216-K218 PolarHBondContact O-N 3.4Å; K218-I222 WeakPolarHBondContact O-CB 3.49Å; K218-I222 WeakPolarHBondContact O-CD1 3.37Å; K218-I222 VanDerWaalsContact O-CG1 3.25Å; K218-I222 WeakPolarHBondContact O-CG1 3.46Å; K218-I222 PolarHBondContact O-N 3.49Å; K218-I222 VanDerWaalsContact O-N 3.08Å
219T66.1Low65.2Low87 Ų87100.6 Ų100.653%0.53452%0.517SS..Hα-helixtrans-72.3-34.4176.2520000113.3K215 E216 L223K215-T219 WeakPolarHBondContact O-CB 3.31Å; K215-T219 WeakPolarHBondContact O-CG2 3.42Å; K215-T219 PolarHBondContact O-N 2.87Å; K215-T219 PolarHBondContact O-OG1 3.45Å; E216-T219 WeakPolarHBondContact CA-OG1 3.33Å; E216-T219 PolarHBondContact O-N 3.16Å; E216-T219 PolarHBondContact O-OG1 2.95Å; T219-L223 VanDerWaalsContact O-CB 3.26Å; T219-L223 WeakPolarHBondContact O-CB 3.13Å; T219-L223 PolarHBondContact O-N 2.84Å
220Q71.8Confident64.3Low114 Ų114100.9 Ų100.953%0.53352%0.522SS..Hα-helixtrans-66.9-42.4171.5-74.4178.632.400111.7E216 A217 L223 L224E216-Q220 VanDerWaalsContact O-CB 3.23Å; E216-Q220 WeakPolarHBondContact O-CB 3.48Å; E216-Q220 WeakPolarHBondContact O-CG 3.34Å; E216-Q220 PolarHBondContact O-N 2.91Å; A217-Q220 PolarHBondContact O-N 3.45Å; Q220-L223 CarbonylContact O-C 3.57Å; Q220-L223 PolarHBondContact O-N 2.89Å; Q220-L223 VanDerWaalsContact O-N 3.13Å; Q220-L224 WeakPolarHBondContact O-CD1 3.45Å; Q220-L224 PolarHBondContact O-N 3.05Å
221A64.2Low63.3Low44 Ų4497 Ų9736%0.36451%0.508SS..Hα-helixtrans-58.6-49.9175.300000111.4A217 L223 L224 E225A217-A221 VanDerWaalsContact O-CB 3.28Å; A217-A221 WeakPolarHBondContact O-CB 3.35Å; A217-A221 PolarHBondContact O-N 2.97Å; A221-L223 VanDerWaalsContact C-N 3.25Å; A221-L223 PolarHBondContact O-N 3.42Å; A221-L224 PolarHBondContact O-N 3.2Å; A221-E225 WeakPolarHBondContact O-CB 3.32Å; A221-E225 PolarHBondContact O-N 2.78Å
222I66.3Low62.5Low90 Ų9096 Ų9646%0.46251%0.513SS..Hα-helixtrans-59.4-34.7174.6-71.1166.3000111.8K218 M226K218-I222 WeakPolarHBondContact O-CB 3.49Å; K218-I222 WeakPolarHBondContact O-CD1 3.37Å; K218-I222 VanDerWaalsContact O-CG1 3.25Å; K218-I222 WeakPolarHBondContact O-CG1 3.46Å; K218-I222 PolarHBondContact O-N 3.49Å; K218-I222 VanDerWaalsContact O-N 3.08Å; I222-M226 HydrophobicContact CG2-CE 3.87Å; I222-M226 WeakPolarHBondContact O-CG 3.48Å; I222-M226 PolarHBondContact O-N 2.72Å
223L64.2Low61.9Low105 Ų10596.1 Ų96.155%0.5553%0.527SS..Hα-helixtrans-74.8-36.3177.8-168.3145.6000112.4T219 Q220 A221 V227T219-L223 VanDerWaalsContact O-CB 3.26Å; T219-L223 WeakPolarHBondContact O-CB 3.13Å; T219-L223 PolarHBondContact O-N 2.84Å; Q220-L223 CarbonylContact O-C 3.57Å; Q220-L223 PolarHBondContact O-N 2.89Å; Q220-L223 VanDerWaalsContact O-N 3.13Å; A221-L223 VanDerWaalsContact C-N 3.25Å; A221-L223 PolarHBondContact O-N 3.42Å; L223-V227 HydrophobicContact CD2-CG2 4.49Å; L223-V227 WeakPolarHBondContact O-CB 3.36Å; L223-V227 VanDerWaalsContact O-CG2 3.25Å; L223-V227 WeakPolarHBondContact O-CG2 3.48Å; L223-V227 PolarHBondContact O-N 3.36Å; L223-V227 VanDerWaalsContact O-N 3.11Å
224L61.3Low60.7Low76 Ų7698.3 Ų98.340%0.39854%0.544SS..Hα-helixtrans-70.3-35.5171.2-87.785.3000112.2Q220 A221 V227 G228 L230Q220-L224 WeakPolarHBondContact O-CD1 3.45Å; Q220-L224 PolarHBondContact O-N 3.05Å; A221-L224 PolarHBondContact O-N 3.2Å; L224-V227 CarbonylContact O-C 3.54Å; L224-V227 PolarHBondContact O-N 3.02Å; L224-G228 PolarHBondContact O-N 3.06Å; L224-L230 HydrophobicContact CB-CD1 4.44Å; L224-L230 HydrophobicContact CD2-CD1 3.81Å
225E57Low59.7Low133 Ų13396.8 Ų96.862%0.62154%0.541SS*.Hα-helixtrans-59.2-51.2171.8-172.4-162151.400110.6A221 V227 G228A221-E225 WeakPolarHBondContact O-CB 3.32Å; A221-E225 PolarHBondContact O-N 2.78Å; E225-V227 PolarHBondContact O-N 3.25Å; E225-G228 WeakPolarHBondContact O-CA 3.4Å; E225-G228 PolarHBondContact O-N 2.89Å
226M49.9Very low59Low151 Ų15197 Ų9774%0.74454%0.542SS*.Hα-helixtrans-63.6-24.4175.9-78.3-163.9-79.700114I222I222-M226 HydrophobicContact CG2-CE 3.87Å; I222-M226 WeakPolarHBondContact O-CG 3.48Å; I222-M226 PolarHBondContact O-N 2.72Å
227V62.5Low58.4Low102 Ų10294.3 Ų94.362%0.61853%0.534SS*.Hα-helixtrans-81.9-21.6172.8168.40000112.2L223 L224 E225L223-V227 HydrophobicContact CD2-CG2 4.49Å; L223-V227 WeakPolarHBondContact O-CB 3.36Å; L223-V227 VanDerWaalsContact O-CG2 3.25Å; L223-V227 WeakPolarHBondContact O-CG2 3.48Å; L223-V227 PolarHBondContact O-N 3.36Å; L223-V227 VanDerWaalsContact O-N 3.11Å; L224-V227 CarbonylContact O-C 3.54Å; L224-V227 PolarHBondContact O-N 3.02Å; E225-V227 PolarHBondContact O-N 3.25Å
228G52.4Low57.8Low57 Ų5794.2 Ų94.259%0.58853%0.529SS*.THydrogen-bonded Turntrans74.824.2172.300000115.5L224 E225L224-G228 PolarHBondContact O-N 3.06Å; E225-G228 WeakPolarHBondContact O-CA 3.4Å; E225-G228 PolarHBondContact O-N 2.89Å
229D49.1Very low57.6Low63 Ų6392.5 Ų92.534%0.33752%0.523SS..SBendtrans-88.9-2.5177.7-114.5-6.6000112.7W324 K327D229-W324 WeakPolarHBondContact OD1-CH2 3.37Å; D229-K327 IonicContact OD1-NZ 3.38Å; D229-K327 PolarHBondContact OD1-NZ 2.95Å; D229-K327 IonicContact OD2-NZ 2.96Å; D229-K327 PolarHBondContact OD2-NZ 2.88Å
230L44.4Very low58.2Low112 Ų11290.6 Ų90.659%0.58651%0.509SS*.SBendtrans-136139.9179.2-85.4159.4000112.3L224L224-L230 HydrophobicContact CB-CD1 4.44Å; L224-L230 HydrophobicContact CD2-CD1 3.81Å
231P53Low58.8Low51 Ų5185.8 Ų85.833%0.33149%0.488SS..SBendtrans-92.3107.6168.733.5-26.5000110.9I322P231-I322 HydrophobicContact CG-CD1 3.96Å; P231-I322 HydrophobicContact CG-CG2 4.3Å
232D48.2Very low59.8Low115 Ų11583.7 Ų83.762%0.61547%0.47SS*.  trans55.2116.1170.6-51.5-32.8000116.7D234 V235D232-D234 PolarHBondContact O-N 2.57Å; D232-D234 VanDerWaalsContact O-N 3.11Å; D232-V235 HydrophobicContact CB-CG2 4.06Å; D232-V235 WeakPolarHBondContact O-CG2 3.23Å; D232-V235 PolarHBondContact O-N 2.69Å
233A48.8Very low60.8Low94 Ų9482.2 Ų82.278%0.77746%0.461SS*.THydrogen-bonded Turntrans-63.8-19.7-174.500000114.8
234D51.6Low61.9Low159 Ų15977.2 Ų77.285%0.8543%0.434SS*.THydrogen-bonded Turntrans-87.21.6-177.4-63.1-48.1000114.2D232 K236D232-D234 PolarHBondContact O-N 2.57Å; D232-D234 VanDerWaalsContact O-N 3.11Å; D234-K236 VanDerWaalsContact C-N 3.29Å; D234-K236 PolarHBondContact O-N 3.33Å
235V54.7Low63Low66 Ų6674.5 Ų74.540%0.442%0.421SS..  trans-74.781.7179.5-175.30000110.6D232 V319D232-V235 HydrophobicContact CB-CG2 4.06Å; D232-V235 WeakPolarHBondContact O-CG2 3.23Å; D232-V235 PolarHBondContact O-N 2.69Å; V235-V319 HydrophobicContact CG1-CG1 3.89Å
236K54Low64.3Low140 Ų14073.1 Ų73.161%0.60941%0.413SS*.  trans-50.7128.6175.2-163.7-175.4-173.3-162.70110.2D234 E239D234-K236 VanDerWaalsContact C-N 3.29Å; D234-K236 PolarHBondContact O-N 3.33Å; K236-E239 WeakPolarHBondContact CE-OE1 3.44Å; K236-E239 IonicContact NZ-OE1 2.72Å; K236-E239 PolarHBondContact NZ-OE1 3.25Å; K236-E239 IonicContact NZ-OE2 3.49Å; K236-E239 PolarHBondContact NZ-OE2 3.12Å
237P60.2Low66.1Low54 Ų5466 Ų6635%0.35138%0.379SS..  trans-62.4150.718025.2-34.1000111.4E239P237-E239 PolarHBondContact O-N 3.36Å
238P63.8Low67.1Low56 Ų5663.1 Ų63.136%0.36436%0.359SS..  trans-72103.2-173.128.9-34.9000111.8N240 V241P238-N240 PolarHBondContact O-N 3.24Å; P238-V241 HydrophobicContact CB-CG2 4.17Å; P238-V241 HydrophobicContact CG-CB 4.5Å; P238-V241 HydrophobicContact CG-CG2 3.96Å; P238-V241 PolarHBondContact O-N 3.05Å
239E66.3Low68.6Low74 Ų7463.8 Ų63.835%0.34635%0.354SS..THydrogen-bonded Turntrans-60.2-9.8-177.1-54-174119.400114.5K236 P237 Q291 C294K236-E239 WeakPolarHBondContact CE-OE1 3.44Å; K236-E239 IonicContact NZ-OE1 2.72Å; K236-E239 PolarHBondContact NZ-OE1 3.25Å; K236-E239 IonicContact NZ-OE2 3.49Å; K236-E239 PolarHBondContact NZ-OE2 3.12Å; P237-E239 PolarHBondContact O-N 3.36Å; E239-Q291 HydrophobicContact CB-CG 4.37Å; E239-Q291 PolarHBondContact OE2-NE2 2.81Å; E239-C294 PolarHBondContact O-SG 3.2Å
240N79.4Confident70.3Confident47 Ų4766.3 Ų66.325%0.25137%0.371SS..THydrogen-bonded Turntrans-85.63174.9-62.3-49.1000114.2P238 E287 F288 Q291P238-N240 PolarHBondContact O-N 3.24Å; N240-E287 WeakPolarHBondContact O-CA 3.46Å; N240-F288 PolarHBondContact O-N 2.87Å; N240-Q291 WeakPolarHBondContact OD1-CA 3.32Å; N240-Q291 WeakPolarHBondContact OD1-CB 3.26Å; N240-Q291 PolarHBondContact OD1-N 2.97Å
241V84Confident72.3Confident13 Ų1361 Ų618%0.07934%0.343CS..EExtended strand (participates in β ladder)trans-117.2121.6-176.3-174.40000111P238 F285 I286 E287 S316P238-V241 HydrophobicContact CB-CG2 4.17Å; P238-V241 HydrophobicContact CG-CB 4.5Å; P238-V241 HydrophobicContact CG-CG2 3.96Å; P238-V241 PolarHBondContact O-N 3.05Å; V241-F285 HydrophobicContact CG1-CB 4.37Å; V241-F285 HydrophobicContact CG1-CD1 4.29Å; V241-I286 CarbonylContact C-O 3.54Å; V241-I286 WeakPolarHBondContact CA-O 3.39Å; V241-E287 HydrophobicContact CG2-CB 4.06Å; V241-E287 HydrophobicContact CG2-CG 3.99Å; V241-S316 VanDerWaalsContact O-CB 3.3Å; V241-S316 WeakPolarHBondContact O-CB 3.44Å; V241-S316 PolarHBondContact O-N 2.96Å
242L85.1Confident73.9Confident0 Ų061 Ų610%034%0.342CS..EExtended strand (participates in β ladder)trans-91.5146.3168.9-61.1-178.9000111.2F260 F285 I286 F288 C294 A297 V313 D314 F315L242-F260 HydrophobicContact CD1-CE1 4.3Å; L242-F285 WeakPolarHBondContact O-CA 3.4Å; L242-I286 PolarHBondContact N-O 3.29Å; L242-I286 PolarHBondContact O-N 3.28Å; L242-F288 HydrophobicContact CD1-CE2 3.86Å; L242-F288 HydrophobicContact CG-CE2 4.34Å; L242-C294 WeakPolarHBondContact CD2-SG 3.33Å; L242-C294 VanDerWaalsContact CG-SG 3.52Å; L242-A297 HydrophobicContact CD1-CB 3.87Å; L242-V313 HydrophobicContact CB-CG1 4.2Å; L242-V313 HydrophobicContact CD1-CG1 3.78Å; L242-V313 HydrophobicContact CD2-CG1 4.33Å; L242-V313 HydrophobicContact CG-CG1 4.33Å; L242-D314 CarbonylContact C-O 3.59Å; L242-D314 WeakPolarHBondContact CA-O 3.48Å; L242-F315 HydrophobicContact CD2-CD1 3.99Å; L242-F315 HydrophobicContact CD2-CE1 4.07Å; L242-F315 HydrophobicContact CD2-CG 4.41Å
243F87.2Confident75.8Confident59 Ų5958.7 Ų58.726%0.25933%0.33SS..EExtended strand (participates in β ladder)trans-101.8123.2164.2171.8-110.3000108.3C245 Y283 F285 V313 D314F243-C245 HydrophobicContact CD1-CB 4.34Å; F243-C245 HydrophobicContact CE1-CB 3.58Å; F243-C245 HydrophobicContact CZ-CB 3.68Å; F243-Y283 HydrophobicContact CD2-CD2 4.42Å; F243-Y283 AromaticContact CE2-CD2 3.65Å; F243-Y283 HydrophobicContact CE2-CD2 3.65Å; F243-Y283 HydrophobicContact CE2-CE2 4.47Å; F243-Y283 AromaticContact CE2-CG 3.87Å; F243-Y283 HydrophobicContact CE2-CG 3.87Å; F243-Y283 HydrophobicContact CZ-CG 4.38Å; F243-F285 HydrophobicContact CB-CD1 4.37Å; F243-F285 HydrophobicContact CB-CE1 4.19Å; F243-F285 HydrophobicContact CD2-CD1 4.23Å; F243-F285 AromaticContact CD2-CE1 3.64Å; F243-F285 HydrophobicContact CD2-CE1 3.64Å; F243-F285 AromaticContact CD2-CZ 3.86Å; F243-F285 HydrophobicContact CD2-CZ 3.86Å; F243-F285 HydrophobicContact CE2-CZ 4.32Å; F243-F285 HydrophobicContact CG-CE1 4.36Å; F243-V313 WeakPolarHBondContact O-CA 3.39Å; F243-D314 HydrophobicContact CD1-CB 4.49Å; F243-D314 PolarHBondContact N-O 3.05Å; F243-D314 PolarHBondContact O-N 3.19Å
244V86.6Confident77.6Confident0 Ų060.9 Ų60.90%032%0.324CS..EExtended strand (participates in β ladder)trans-112.4127.6176-1750000108.1L247 F260 Y283 A284 I286 I311 V313V244-L247 HydrophobicContact CG1-CD1 4.42Å; V244-L247 HydrophobicContact CG1-CD2 3.95Å; V244-L247 HydrophobicContact CG1-CG 4.17Å; V244-F260 HydrophobicContact CG1-CZ 4.49Å; V244-F260 HydrophobicContact CG2-CE1 4.23Å; V244-F260 HydrophobicContact CG2-CE2 4.33Å; V244-F260 HydrophobicContact CG2-CZ 3.77Å; V244-Y283 CarbonylContact O-C 3.58Å; V244-Y283 WeakPolarHBondContact O-CA 3.31Å; V244-Y283 WeakPolarHBondContact O-CB 3.29Å; V244-A284 PolarHBondContact N-O 2.92Å; V244-A284 PolarHBondContact O-N 3.41Å; V244-I286 HydrophobicContact CG2-CD1 3.79Å; V244-I286 HydrophobicContact CG2-CG1 4.25Å; V244-I311 HydrophobicContact CG1-CB 4.24Å; V244-I311 HydrophobicContact CG1-CD1 3.97Å; V244-V313 HydrophobicContact CG1-CG2 4.37Å; V244-V313 HydrophobicContact CG2-CG1 4.37Å; V244-V313 HydrophobicContact CG2-CG2 4.3Å
245C85.6Confident79.3Confident18 Ų1856.3 Ų56.312%0.12230%0.3CS..EExtended strand (participates in β ladder)trans-134.2171.7-177.874.30000112.5F243 L247 C282 I311 H312F243-C245 HydrophobicContact CD1-CB 4.34Å; F243-C245 HydrophobicContact CE1-CB 3.58Å; F243-C245 HydrophobicContact CZ-CB 3.68Å; C245-L247 PolarHBondContact O-N 2.97Å; C245-C282 CarbonylContact C-O 3.48Å; C245-I311 WeakPolarHBondContact O-CA 3.42Å; C245-H312 PolarHBondContact N-O 3.33Å; C245-H312 PolarHBondContact O-N 3.36Å
246K84.4Confident80.8Confident105 Ų10553.2 Ų53.246%0.45728%0.281SS..SBendtrans6227.8-171.9-50.4165.1-171.61600112.7C282 R309 R310 H312K246-C282 PolarHBondContact N-O 3.45Å; K246-R309 WeakPolarHBondContact O-CD 3.36Å; K246-R309 VanDerWaalsContact O-CG 3.25Å; K246-R309 WeakPolarHBondContact O-CG 3.44Å; K246-R309 PolarHBondContact O-NE 2.98Å; K246-R310 WeakPolarHBondContact CB-O 3.35Å; K246-H312 HydrophobicContact CD-CB 3.96Å
247L86.6Confident82.3Confident2 Ų251.2 Ų51.21%0.0127%0.274CS..  trans-61.2154.1172.6-68.7163.5000111.3V244 C245 T251 L256 C282 A284 R309 I311V244-L247 HydrophobicContact CG1-CD1 4.42Å; V244-L247 HydrophobicContact CG1-CD2 3.95Å; V244-L247 HydrophobicContact CG1-CG 4.17Å; C245-L247 PolarHBondContact O-N 2.97Å; L247-T251 HydrophobicContact CD2-CG2 4.47Å; L247-L256 HydrophobicContact CD1-CD1 3.78Å; L247-L256 HydrophobicContact CD2-CD1 3.88Å; L247-L256 HydrophobicContact CD2-CD2 3.7Å; L247-L256 HydrophobicContact CD2-CG 4.33Å; L247-C282 PolarHBondContact N-O 3.04Å; L247-C282 WeakPolarHBondContact O-CB 3.49Å; L247-C282 PolarHBondContact O-SG 3.07Å; L247-A284 HydrophobicContact CD1-CB 3.69Å; L247-R309 WeakPolarHBondContact O-CD 3.33Å; L247-R309 PolarHBondContact O-NH1 3.32Å; L247-I311 HydrophobicContact CD2-CG2 3.73Å; L247-I311 HydrophobicContact CG-CG2 4.43Å
248N84.6Confident83.6Confident40 Ų4054.5 Ų54.521%0.21429%0.287CS..  trans-70.5138.5168.5-174.2-36000108.3V250 T251 D307 R309N248-V250 PolarHBondContact O-N 3.48Å; N248-V250 WeakPolarHBondContact OD1-CB 3.14Å; N248-V250 WeakPolarHBondContact OD1-CG2 3.4Å; N248-V250 PolarHBondContact OD1-N 3.01Å; N248-T251 WeakPolarHBondContact CB-OG1 3.49Å; N248-T251 PolarHBondContact O-N 2.91Å; N248-T251 VanDerWaalsContact O-N 3.09Å; N248-T251 PolarHBondContact O-OG1 3.27Å; N248-D307 HydrophobicContact CB-CB 3.7Å; N248-D307 WeakPolarHBondContact ND2-CB 3.43Å; N248-D307 PolarHBondContact ND2-O 3.48Å; N248-R309 HydrophobicContact CB-CB 4.44Å
249P83.8Confident84.7Confident72 Ų7254.2 Ų54.247%0.46828%0.282SS..THydrogen-bonded Turntrans-52-26.3174.6-28.233.3000114.9S280P249-S280 WeakPolarHBondContact O-CB 3.42Å; P249-S280 PolarHBondContact O-OG 3.05Å
250V84.8Confident85.7Confident115 Ų11550.7 Ų50.770%0.69727%0.265SS*.THydrogen-bonded Turntrans-79.8-26.4-179.1-176.50000113.1N248 T252N248-V250 PolarHBondContact O-N 3.48Å; N248-V250 WeakPolarHBondContact OD1-CB 3.14Å; N248-V250 WeakPolarHBondContact OD1-CG2 3.4Å; N248-V250 PolarHBondContact OD1-N 3.01Å; V250-T252 PolarHBondContact O-N 2.9Å
251T85.3Confident86.1Confident1 Ų151.4 Ų51.41%0.00627%0.274CS..  trans-59.4132.9-178-46.40000110.7L247 N248 D255 L256 I271 I306 D307L247-T251 HydrophobicContact CD2-CG2 4.47Å; N248-T251 WeakPolarHBondContact CB-OG1 3.49Å; N248-T251 PolarHBondContact O-N 2.91Å; N248-T251 VanDerWaalsContact O-N 3.09Å; N248-T251 PolarHBondContact O-OG1 3.27Å; T251-D255 HydrophobicContact CG2-CB 4.03Å; T251-L256 HydrophobicContact CG2-CD2 4.06Å; T251-L256 HydrophobicContact CG2-CG 4.08Å; T251-I271 VanDerWaalsContact O-CD1 3.29Å; T251-I271 WeakPolarHBondContact O-CD1 3.42Å; T251-I306 HydrophobicContact CG2-CG2 4.27Å; T251-D307 WeakPolarHBondContact CB-OD2 3.47Å; T251-D307 PolarHBondContact OG1-OD2 3.17Å
252T87.5Confident86.3Confident52 Ų5261.2 Ų61.232%0.31931%0.31SS..  trans-97.7163.5179.373.30000112.9V250 E254 D255 L256V250-T252 PolarHBondContact O-N 2.9Å; T252-E254 VanDerWaalsContact C-N 3.27Å; T252-E254 PolarHBondContact O-N 2.82Å; T252-E254 PolarHBondContact OG1-N 3.17Å; T252-D255 WeakPolarHBondContact CA-OD2 3.49Å; T252-D255 VanDerWaalsContact CB-OD2 3.31Å; T252-D255 WeakPolarHBondContact CB-OD2 3.41Å; T252-D255 PolarHBondContact N-OD2 3.1Å; T252-D255 PolarHBondContact O-N 2.84Å; T252-D255 PolarHBondContact OG1-N 2.74Å; T252-D255 PolarHBondContact OG1-OD2 3.04Å; T252-L256 PolarHBondContact O-N 2.9Å
253D86.8Confident86.3Confident65 Ų6563 Ų6335%0.34832%0.318SS..Hα-helixtrans-61.1-35173.522.3-60.2000112L256 E257 I271 R273D253-L256 PolarHBondContact O-N 3.02Å; D253-E257 PolarHBondContact O-N 3.14Å; D253-I271 HydrophobicContact CB-CD1 4.43Å; D253-I271 HydrophobicContact CB-CG1 4.17Å; D253-R273 IonicContact OD1-CZ 3.83Å; D253-R273 IonicContact OD1-NH2 2.74Å; D253-R273 PolarHBondContact OD1-NH2 3.46Å
254E86.6Confident86.3Confident140 Ų14061 Ų6165%0.65431%0.313SS*.Hα-helixtrans-64-43.5172.9-61.2-176.4-170.400112T252 L256 E257 I258T252-E254 VanDerWaalsContact C-N 3.27Å; T252-E254 PolarHBondContact O-N 2.82Å; T252-E254 PolarHBondContact OG1-N 3.17Å; E254-L256 VanDerWaalsContact C-N 3.31Å; E254-L256 PolarHBondContact O-N 2.96Å; E254-E257 PolarHBondContact O-N 2.93Å; E254-I258 VanDerWaalsContact O-CG1 3.31Å; E254-I258 WeakPolarHBondContact O-CG1 3.26Å; E254-I258 PolarHBondContact O-N 3.24Å
255D87.6Confident86.2Confident64 Ų6463.9 Ų63.934%0.34233%0.333SS..Hα-helixtrans-60.2-41.9177.9-60.9-58.2000111.4T251 T252 I258 I259T251-D255 HydrophobicContact CG2-CB 4.03Å; T252-D255 WeakPolarHBondContact CA-OD2 3.49Å; T252-D255 VanDerWaalsContact CB-OD2 3.31Å; T252-D255 WeakPolarHBondContact CB-OD2 3.41Å; T252-D255 PolarHBondContact N-OD2 3.1Å; T252-D255 PolarHBondContact O-N 2.84Å; T252-D255 PolarHBondContact OG1-N 2.74Å; T252-D255 PolarHBondContact OG1-OD2 3.04Å; D255-I258 PolarHBondContact O-N 3.03Å; D255-I259 WeakPolarHBondContact O-CB 3.32Å; D255-I259 WeakPolarHBondContact O-CD1 3.32Å; D255-I259 VanDerWaalsContact O-CG1 3.23Å; D255-I259 WeakPolarHBondContact O-CG1 3.46Å; D255-I259 PolarHBondContact O-N 2.96Å
256L86.6Confident86.3Confident0 Ų064.3 Ų64.30%033%0.334CS..Hα-helixtrans-70.3-37.7177.7-66.8-177.9000112.6L247 T251 T252 D253 E254 I259 F260 I271 A284 I306L247-L256 HydrophobicContact CD1-CD1 3.78Å; L247-L256 HydrophobicContact CD2-CD1 3.88Å; L247-L256 HydrophobicContact CD2-CD2 3.7Å; L247-L256 HydrophobicContact CD2-CG 4.33Å; T251-L256 HydrophobicContact CG2-CD2 4.06Å; T251-L256 HydrophobicContact CG2-CG 4.08Å; T252-L256 PolarHBondContact O-N 2.9Å; D253-L256 PolarHBondContact O-N 3.02Å; E254-L256 VanDerWaalsContact C-N 3.31Å; E254-L256 PolarHBondContact O-N 2.96Å; L256-I259 PolarHBondContact O-N 2.73Å; L256-F260 HydrophobicContact CD2-CE2 4.24Å; L256-F260 WeakPolarHBondContact O-CB 3.29Å; L256-F260 WeakPolarHBondContact O-CD2 3.28Å; L256-F260 PolarHBondContact O-N 3.01Å; L256-I271 HydrophobicContact CD1-CD1 3.8Å; L256-I271 HydrophobicContact CD1-CG1 3.88Å; L256-A284 HydrophobicContact CD1-CB 3.83Å; L256-I306 HydrophobicContact CD2-CD1 4.37Å
257E86.7Confident86.2Confident99 Ų9964.2 Ų64.246%0.46333%0.334SS..Hα-helixtrans-62.6-43.1173.8-169.4173.5-168.600111.1D253 E254 I259 S261 I266D253-E257 PolarHBondContact O-N 3.14Å; E254-E257 PolarHBondContact O-N 2.93Å; E257-I259 PolarHBondContact O-N 3.49Å; E257-S261 WeakPolarHBondContact O-CB 3.39Å; E257-S261 PolarHBondContact O-N 2.91Å; E257-S261 PolarHBondContact O-OG 3.29Å; E257-I266 HydrophobicContact CG-CD1 4.11Å
258I86.6Confident86Confident122 Ų12266.4 Ų66.463%0.62635%0.349SS*.Hα-helixtrans-61.7-41.8175.5-68164.8000111.6E254 D255 S261E254-I258 VanDerWaalsContact O-CG1 3.31Å; E254-I258 WeakPolarHBondContact O-CG1 3.26Å; E254-I258 PolarHBondContact O-N 3.24Å; D255-I258 PolarHBondContact O-N 3.03Å; I258-S261 PolarHBondContact O-OG 2.72Å
259I87.2Confident85.9Confident51 Ų5165.9 Ų65.926%0.26235%0.348SS..Hα-helixtrans-71.8-43.6-178.5-71.5169.2000111.8D255 L256 E257 M301 I306D255-I259 WeakPolarHBondContact O-CB 3.32Å; D255-I259 WeakPolarHBondContact O-CD1 3.32Å; D255-I259 VanDerWaalsContact O-CG1 3.23Å; D255-I259 WeakPolarHBondContact O-CG1 3.46Å; D255-I259 PolarHBondContact O-N 2.96Å; L256-I259 PolarHBondContact O-N 2.73Å; E257-I259 PolarHBondContact O-N 3.49Å; I259-M301 HydrophobicContact CG2-CE 3.35Å; I259-M301 HydrophobicContact CG2-SD 4.08Å; I259-I306 HydrophobicContact CD1-CD1 3.86Å; I259-I306 HydrophobicContact CD1-CG1 4.26Å; I259-I306 HydrophobicContact CD1-CG2 4.09Å; I259-I306 HydrophobicContact CG2-CD1 4.27Å
260F87.2Confident85.9Confident0 Ų068.2 Ų68.20%035%0.353CS..Hα-helixtrans-87.9-25.1-173.7-79.6-100.1000114.1L242 V244 L256 R262 F263 I266 I286 F288 A297 M301 I311 V313L242-F260 HydrophobicContact CD1-CE1 4.3Å; V244-F260 HydrophobicContact CG1-CZ 4.49Å; V244-F260 HydrophobicContact CG2-CE1 4.23Å; V244-F260 HydrophobicContact CG2-CE2 4.33Å; V244-F260 HydrophobicContact CG2-CZ 3.77Å; L256-F260 HydrophobicContact CD2-CE2 4.24Å; L256-F260 WeakPolarHBondContact O-CB 3.29Å; L256-F260 WeakPolarHBondContact O-CD2 3.28Å; L256-F260 PolarHBondContact O-N 3.01Å; F260-R262 PolarHBondContact O-N 3.29Å; F260-R262 VanDerWaalsContact O-N 3.07Å; F260-F263 WeakPolarHBondContact O-CD2 3.47Å; F260-F263 PolarHBondContact O-N 3.32Å; F260-I266 HydrophobicContact CB-CD1 3.8Å; F260-I286 HydrophobicContact CB-CD1 4.06Å; F260-I286 HydrophobicContact CB-CG2 4.5Å; F260-I286 HydrophobicContact CD1-CD1 3.8Å; F260-I286 HydrophobicContact CD2-CD1 3.54Å; F260-I286 HydrophobicContact CE1-CD1 4.09Å; F260-I286 HydrophobicContact CE2-CD1 3.86Å; F260-I286 HydrophobicContact CG-CD1 3.52Å; F260-I286 HydrophobicContact CZ-CD1 4.12Å; F260-F288 HydrophobicContact CB-CZ 4.14Å; F260-F288 HydrophobicContact CD1-CE2 4.48Å; F260-F288 HydrophobicContact CD1-CZ 4.15Å; F260-A297 HydrophobicContact CD1-CB 4.09Å; F260-A297 HydrophobicContact CE1-CB 4.4Å; F260-M301 HydrophobicContact CD1-CG 4.26Å; F260-M301 HydrophobicContact CE1-CB 3.75Å; F260-M301 HydrophobicContact CE1-CG 3.77Å; F260-M301 HydrophobicContact CE2-CE 4.27Å; F260-M301 HydrophobicContact CE2-CG 4.48Å; F260-M301 HydrophobicContact CZ-CB 3.69Å; F260-M301 HydrophobicContact CZ-CE 4.37Å; F260-M301 HydrophobicContact CZ-CG 3.9Å; F260-I311 HydrophobicContact CE2-CD1 4.39Å; F260-I311 HydrophobicContact CZ-CD1 4.14Å; F260-V313 HydrophobicContact CE1-CG2 4.48Å; F260-V313 HydrophobicContact CZ-CG2 4.11Å
261S88.1Confident86Confident62 Ų6263.2 Ų63.243%0.43432%0.322SS..THydrogen-bonded Turntrans-60.6-18.7175.356.60000113.5E257 I258 F263 G264E257-S261 WeakPolarHBondContact O-CB 3.39Å; E257-S261 PolarHBondContact O-N 2.91Å; E257-S261 PolarHBondContact O-OG 3.29Å; I258-S261 PolarHBondContact O-OG 2.72Å; S261-F263 PolarHBondContact O-N 3.34Å; S261-G264 PolarHBondContact O-N 3.26Å
262R86.7Confident85.9Confident218 Ų21865 Ų6582%0.82333%0.331SS*.THydrogen-bonded Turntrans-59.8-21.8171.6-172.6171.7-176.5172.12.3114F260F260-R262 PolarHBondContact O-N 3.29Å; F260-R262 VanDerWaalsContact O-N 3.07Å
263F86.3Confident85.7Confident39 Ų3967.5 Ų67.517%0.17134%0.335CS..THydrogen-bonded Turntrans-99.6-24.9-177.5-55.1-73.3000113.4F260 S261 A297 K300 M301F260-F263 WeakPolarHBondContact O-CD2 3.47Å; F260-F263 PolarHBondContact O-N 3.32Å; S261-F263 PolarHBondContact O-N 3.34Å; F263-A297 HydrophobicContact CB-CB 3.86Å; F263-A297 HydrophobicContact CD2-CB 3.89Å; F263-A297 HydrophobicContact CG-CB 3.89Å; F263-K300 HydrophobicContact CD1-CD 4.12Å; F263-K300 HydrophobicContact CE1-CB 3.83Å; F263-K300 HydrophobicContact CE1-CD 3.65Å; F263-K300 HydrophobicContact CE1-CG 4.39Å; F263-K300 HydrophobicContact CZ-CB 4.15Å; F263-M301 HydrophobicContact CD2-CG 4.21Å; F263-M301 HydrophobicContact CE2-CG 3.39Å; F263-M301 HydrophobicContact CE2-SD 3.53Å; F263-M301 VanDerWaalsContact CE2-SD 3.53Å; F263-M301 HydrophobicContact CZ-CG 3.78Å; F263-M301 HydrophobicContact CZ-SD 3.63Å
264G86.1Confident85.5Confident15 Ų1567.4 Ų67.416%0.15533%0.334CS..SBendtrans171.2176175.100000112.1S261 I266S261-G264 PolarHBondContact O-N 3.26Å; G264-I266 PolarHBondContact O-N 2.96Å
265S86.1Confident84.7Confident61 Ų6170.5 Ų70.543%0.42735%0.346SS..  trans-61.9130.9177.5-48.80000111.6E289S265-E289 VanDerWaalsContact CB-CG 3.49Å; S265-E289 WeakPolarHBondContact CB-OE2 3.42Å; S265-E289 PolarHBondContact O-N 3.47Å; S265-E289 PolarHBondContact OG-OE2 3.04Å
266I86.4Confident84.3Confident27 Ų2776.2 Ų76.214%0.13837%0.368CS..EExtended strand (participates in β ladder)trans-95138.1173.4-64.8169.5000108.9E257 F260 G264 C269 I286 E287 F288E257-I266 HydrophobicContact CG-CD1 4.11Å; F260-I266 HydrophobicContact CB-CD1 3.8Å; G264-I266 PolarHBondContact O-N 2.96Å; I266-C269 HydrophobicContact CG2-CB 4.37Å; I266-I286 HydrophobicContact CD1-CG2 4.07Å; I266-I286 HydrophobicContact CG1-CG2 4.1Å; I266-I286 HydrophobicContact CG2-CG2 4.14Å; I266-E287 CarbonylContact C-O 3.54Å; I266-F288 HydrophobicContact CG1-CD1 4.26Å; I266-F288 HydrophobicContact CG1-CE1 3.91Å; I266-F288 HydrophobicContact CG1-CZ 4.32Å
267K83.4Confident83.9Confident104 Ų10480.2 Ų80.245%0.45239%0.392SS..EExtended strand (participates in β ladder)trans-91.5-36.8171.1-62.6-165.9-174.195.70112.5E287 F288 E289K267-E287 HydrophobicContact CB-CB 4.32Å; K267-E287 HydrophobicContact CB-CG 3.99Å; K267-E287 HydrophobicContact CD-CG 4.2Å; K267-E287 HydrophobicContact CG-CG 4.39Å; K267-E287 PolarHBondContact N-O 3.14Å; K267-F288 PolarHBondContact NZ-O 2.85Å; K267-E289 HydrophobicContact CG-CG 3.83Å; K267-E289 VanDerWaalsContact NZ-CA 3.33Å; K267-E289 PolarHBondContact NZ-O 3.26Å; K267-E289 VanDerWaalsContact NZ-O 3.08Å
268S81.4Confident83.3Confident48 Ų4877.6 Ų77.634%0.33639%0.392SS..EExtended strand (participates in β ladder)trans-157.8138.8174.760.40000111.1I286 E287S268-I286 WeakPolarHBondContact O-CA 3.22Å; S268-E287 PolarHBondContact O-N 3.07Å; S268-E287 WeakPolarHBondContact OG-CB 3.44Å; S268-E287 PolarHBondContact OG-OE2 3.46Å
269C83.3Confident82.9Confident28 Ų2876.8 Ų76.819%0.18939%0.389CS..EExtended strand (participates in β ladder)trans-120.2127167.1-171.10000107.3I266 F285I266-C269 HydrophobicContact CG2-CB 4.37Å; C269-F285 WeakPolarHBondContact CA-O 3.28Å
270E83.1Confident82.7Confident122 Ų12275 Ų7557%0.5738%0.381SS*.EExtended strand (participates in β ladder)trans-139.5112.8-179.6-165.6-178.1165.800110.7I272 A284 F285E270-I272 HydrophobicContact CG-CD1 4.01Å; E270-A284 CarbonylContact O-C 3.45Å; E270-A284 WeakPolarHBondContact O-CA 3.32Å; E270-A284 WeakPolarHBondContact O-CB 3.3Å; E270-F285 PolarHBondContact N-O 3.15Å; E270-F285 PolarHBondContact O-N 3.25Å
271I86.2Confident82.4Confident10 Ų1078.7 Ų78.75%0.05140%0.4CS..EExtended strand (participates in β ladder)trans-80.9123.6168.1-58.5-171.5000108.4T251 D253 L256 A284T251-I271 VanDerWaalsContact O-CD1 3.29Å; T251-I271 WeakPolarHBondContact O-CD1 3.42Å; D253-I271 HydrophobicContact CB-CD1 4.43Å; D253-I271 HydrophobicContact CB-CG1 4.17Å; L256-I271 HydrophobicContact CD1-CD1 3.8Å; L256-I271 HydrophobicContact CD1-CG1 3.88Å; I271-A284 HydrophobicContact CB-CB 4.42Å; I271-A284 HydrophobicContact CG1-CB 3.92Å
272I83.6Confident82.1Confident39 Ų3977 Ų7720%0.239%0.388CS..EExtended strand (participates in β ladder)trans-81127.7178.5-49.2-52.4000109.7E270 L281 Y283 F285E270-I272 HydrophobicContact CG-CD1 4.01Å; I272-L281 HydrophobicContact CG2-CD1 4.03Å; I272-L281 WeakPolarHBondContact O-CB 3.25Å; I272-L281 PolarHBondContact O-N 3.35Å; I272-Y283 HydrophobicContact CB-CD2 4.14Å; I272-Y283 HydrophobicContact CB-CE2 3.58Å; I272-Y283 HydrophobicContact CG1-CD2 3.98Å; I272-Y283 HydrophobicContact CG1-CE2 3.47Å; I272-Y283 VanDerWaalsContact CG1-CE2 3.47Å; I272-Y283 HydrophobicContact CG2-CE2 4.17Å; I272-Y283 PolarHBondContact N-O 3.28Å; I272-F285 HydrophobicContact CD1-CD2 4.18Å; I272-F285 HydrophobicContact CD1-CE2 4.49Å; I272-F285 HydrophobicContact CG1-CD2 4.04Å; I272-F285 HydrophobicContact CG1-CE2 4.03Å
273R84.8Confident82.1Confident104 Ų10470 Ų7039%0.39236%0.362SS..EExtended strand (participates in β ladder)trans-117.1151-178.1-56.9174.1-171.9-95.84.5109.6D253 F275 D279 S280D253-R273 IonicContact OD1-CZ 3.83Å; D253-R273 IonicContact OD1-NH2 2.74Å; D253-R273 PolarHBondContact OD1-NH2 3.46Å; R273-F275 PolarHBondContact O-N 2.9Å; R273-D279 CarbonylContact C-O 3.58Å; R273-D279 VanDerWaalsContact CA-O 3.22Å; R273-D279 WeakPolarHBondContact CA-O 3.17Å; R273-S280 PolarHBondContact NH1-OG 2.85Å
274D82.1Confident82.1Confident62 Ų6268.2 Ų68.233%0.33235%0.354SS..  trans-65.8122.8174.1-173.2-16.2000109.5K276 T277 G278 D279 L281D274-K276 PolarHBondContact O-N 2.94Å; D274-K276 PolarHBondContact OD1-N 3.1Å; D274-T277 PolarHBondContact O-N 3.03Å; D274-G278 WeakPolarHBondContact O-CA 3.27Å; D274-G278 PolarHBondContact O-N 2.71Å; D274-D279 PolarHBondContact N-O 3.24Å; D274-L281 HydrophobicContact CB-CD2 4.12Å
275F70.2Confident82.3Confident205 Ų20569.9 Ų69.990%0.89936%0.358SS*.THydrogen-bonded Turntrans-53.9-22175-178.3-97.7000114.1R273R273-F275 PolarHBondContact O-N 2.9Å
276K77.7Confident82.3Confident184 Ų18467 Ų6780%0.834%0.337SS*.THydrogen-bonded Turntrans-94.3-31.3-178-68.6174.2-176.4168.70115D274D274-K276 PolarHBondContact O-N 2.94Å; D274-K276 PolarHBondContact OD1-N 3.1Å
277T79.1Confident82.4Confident84 Ų8467.4 Ų67.452%0.51534%0.338SS..THydrogen-bonded Turntrans-117.7-21.2-174.467.60000113.5D274 D279D274-T277 PolarHBondContact O-N 3.03Å; T277-D279 WeakPolarHBondContact CB-OD2 3.38Å; T277-D279 WeakPolarHBondContact OG1-CB 3.4Å; T277-D279 VanDerWaalsContact OG1-CG 3.26Å; T277-D279 PolarHBondContact OG1-N 3.16Å; T277-D279 PolarHBondContact OG1-OD2 3.1Å
278G73.3Confident82.6Confident44 Ų4462.4 Ų62.445%0.45432%0.317SS..  trans81.1-3.3-172.300000114.2D274D274-G278 WeakPolarHBondContact O-CA 3.27Å; D274-G278 PolarHBondContact O-N 2.71Å
279D78.5Confident82.7Confident105 Ų10565.2 Ų65.256%0.56132%0.324SS*.  trans-67.4135.6-179-62.3-54.7000111.5R273 D274 T277 L281R273-D279 CarbonylContact C-O 3.58Å; R273-D279 VanDerWaalsContact CA-O 3.22Å; R273-D279 WeakPolarHBondContact CA-O 3.17Å; D274-D279 PolarHBondContact N-O 3.24Å; T277-D279 WeakPolarHBondContact CB-OD2 3.38Å; T277-D279 WeakPolarHBondContact OG1-CB 3.4Å; T277-D279 VanDerWaalsContact OG1-CG 3.26Å; T277-D279 PolarHBondContact OG1-N 3.16Å; T277-D279 PolarHBondContact OG1-OD2 3.1Å; D279-L281 PolarHBondContact O-N 3.33Å
280S82.6Confident82.9Confident15 Ų1569.3 Ų69.311%0.10534%0.339CS..EExtended strand (participates in β ladder)trans-62.3121.5174.5-48.50000110.9P249 R273 C282P249-S280 WeakPolarHBondContact O-CB 3.42Å; P249-S280 PolarHBondContact O-OG 3.05Å; R273-S280 PolarHBondContact NH1-OG 2.85Å; S280-C282 PolarHBondContact O-N 3.12Å
281L80.9Confident82.8Confident76 Ų7667.1 Ų67.140%0.39833%0.329SS..EExtended strand (participates in β ladder)trans-72.912.3178.7-63.2178.3000113.5I272 D274 D279 Y283I272-L281 HydrophobicContact CG2-CD1 4.03Å; I272-L281 WeakPolarHBondContact O-CB 3.25Å; I272-L281 PolarHBondContact O-N 3.35Å; D274-L281 HydrophobicContact CB-CD2 4.12Å; D279-L281 PolarHBondContact O-N 3.33Å; L281-Y283 HydrophobicContact CB-CD1 3.8Å; L281-Y283 HydrophobicContact CB-CE1 3.48Å; L281-Y283 VanDerWaalsContact CB-CE1 3.48Å; L281-Y283 HydrophobicContact CD1-CE1 3.93Å; L281-Y283 HydrophobicContact CG-CE1 4.37Å; L281-Y283 VanDerWaalsContact O-CD1 3.32Å; L281-Y283 WeakPolarHBondContact O-CD1 3.45Å; L281-Y283 PolarHBondContact O-N 3.38Å
282C82.4Confident82.8Confident27 Ų2772.3 Ų72.318%0.18235%0.353CS..EExtended strand (participates in β ladder)trans61.722.9-179.4-56.10000114.8C245 K246 L247 S280 R309C245-C282 CarbonylContact C-O 3.48Å; K246-C282 PolarHBondContact N-O 3.45Å; L247-C282 PolarHBondContact N-O 3.04Å; L247-C282 WeakPolarHBondContact O-CB 3.49Å; L247-C282 PolarHBondContact O-SG 3.07Å; S280-C282 PolarHBondContact O-N 3.12Å; C282-R309 PolarHBondContact SG-NH1 3.23Å; C282-R309 VanDerWaalsContact SG-NH1 3.37Å
283Y87.1Confident83Confident72 Ų7271.2 Ų71.228%0.28235%0.347SS..EExtended strand (participates in β ladder)trans-141.4156170.469.5-94.1000113.1F243 V244 I272 L281 F285F243-Y283 HydrophobicContact CD2-CD2 4.42Å; F243-Y283 AromaticContact CE2-CD2 3.65Å; F243-Y283 HydrophobicContact CE2-CD2 3.65Å; F243-Y283 HydrophobicContact CE2-CE2 4.47Å; F243-Y283 AromaticContact CE2-CG 3.87Å; F243-Y283 HydrophobicContact CE2-CG 3.87Å; F243-Y283 HydrophobicContact CZ-CG 4.38Å; V244-Y283 CarbonylContact O-C 3.58Å; V244-Y283 WeakPolarHBondContact O-CA 3.31Å; V244-Y283 WeakPolarHBondContact O-CB 3.29Å; I272-Y283 HydrophobicContact CB-CD2 4.14Å; I272-Y283 HydrophobicContact CB-CE2 3.58Å; I272-Y283 HydrophobicContact CG1-CD2 3.98Å; I272-Y283 HydrophobicContact CG1-CE2 3.47Å; I272-Y283 VanDerWaalsContact CG1-CE2 3.47Å; I272-Y283 HydrophobicContact CG2-CE2 4.17Å; I272-Y283 PolarHBondContact N-O 3.28Å; L281-Y283 HydrophobicContact CB-CD1 3.8Å; L281-Y283 HydrophobicContact CB-CE1 3.48Å; L281-Y283 VanDerWaalsContact CB-CE1 3.48Å; L281-Y283 HydrophobicContact CD1-CE1 3.93Å; L281-Y283 HydrophobicContact CG-CE1 4.37Å; L281-Y283 VanDerWaalsContact O-CD1 3.32Å; L281-Y283 WeakPolarHBondContact O-CD1 3.45Å; L281-Y283 PolarHBondContact O-N 3.38Å; Y283-F285 HydrophobicContact CD2-CE2 4.21Å; Y283-F285 HydrophobicContact CE2-CE2 4.01Å
284A86.6Confident82.9Confident0 Ų066.2 Ų66.20%033%0.329CS..EExtended strand (participates in β ladder)trans-144.5159.9-175.500000111.6V244 L247 L256 E270 I271V244-A284 PolarHBondContact N-O 2.92Å; V244-A284 PolarHBondContact O-N 3.41Å; L247-A284 HydrophobicContact CD1-CB 3.69Å; L256-A284 HydrophobicContact CD1-CB 3.83Å; E270-A284 CarbonylContact O-C 3.45Å; E270-A284 WeakPolarHBondContact O-CA 3.32Å; E270-A284 WeakPolarHBondContact O-CB 3.3Å; I271-A284 HydrophobicContact CB-CB 4.42Å; I271-A284 HydrophobicContact CG1-CB 3.92Å
285F88.8Confident83.1Confident51 Ų5167.1 Ų67.122%0.22433%0.331CS..EExtended strand (participates in β ladder)trans-116.7136.8169.5-65.5-81.1000110.5V241 L242 F243 C269 E270 I272 Y283V241-F285 HydrophobicContact CG1-CB 4.37Å; V241-F285 HydrophobicContact CG1-CD1 4.29Å; L242-F285 WeakPolarHBondContact O-CA 3.4Å; F243-F285 HydrophobicContact CB-CD1 4.37Å; F243-F285 HydrophobicContact CB-CE1 4.19Å; F243-F285 HydrophobicContact CD2-CD1 4.23Å; F243-F285 AromaticContact CD2-CE1 3.64Å; F243-F285 HydrophobicContact CD2-CE1 3.64Å; F243-F285 AromaticContact CD2-CZ 3.86Å; F243-F285 HydrophobicContact CD2-CZ 3.86Å; F243-F285 HydrophobicContact CE2-CZ 4.32Å; F243-F285 HydrophobicContact CG-CE1 4.36Å; C269-F285 WeakPolarHBondContact CA-O 3.28Å; E270-F285 PolarHBondContact N-O 3.15Å; E270-F285 PolarHBondContact O-N 3.25Å; I272-F285 HydrophobicContact CD1-CD2 4.18Å; I272-F285 HydrophobicContact CD1-CE2 4.49Å; I272-F285 HydrophobicContact CG1-CD2 4.04Å; I272-F285 HydrophobicContact CG1-CE2 4.03Å; Y283-F285 HydrophobicContact CD2-CE2 4.21Å; Y283-F285 HydrophobicContact CE2-CE2 4.01Å
286I87.3Confident83.8Confident0 Ų060.9 Ų60.90%030%0.303CS..EExtended strand (participates in β ladder)trans-128.3113.8-179.8-52.1-177.1000108.6V241 L242 V244 F260 I266 S268 F288V241-I286 CarbonylContact C-O 3.54Å; V241-I286 WeakPolarHBondContact CA-O 3.39Å; L242-I286 PolarHBondContact N-O 3.29Å; L242-I286 PolarHBondContact O-N 3.28Å; V244-I286 HydrophobicContact CG2-CD1 3.79Å; V244-I286 HydrophobicContact CG2-CG1 4.25Å; F260-I286 HydrophobicContact CB-CD1 4.06Å; F260-I286 HydrophobicContact CB-CG2 4.5Å; F260-I286 HydrophobicContact CD1-CD1 3.8Å; F260-I286 HydrophobicContact CD2-CD1 3.54Å; F260-I286 HydrophobicContact CE1-CD1 4.09Å; F260-I286 HydrophobicContact CE2-CD1 3.86Å; F260-I286 HydrophobicContact CG-CD1 3.52Å; F260-I286 HydrophobicContact CZ-CD1 4.12Å; I266-I286 HydrophobicContact CD1-CG2 4.07Å; I266-I286 HydrophobicContact CG1-CG2 4.1Å; I266-I286 HydrophobicContact CG2-CG2 4.14Å; S268-I286 WeakPolarHBondContact O-CA 3.22Å; I286-F288 HydrophobicContact CG2-CD2 4.29Å; I286-F288 HydrophobicContact CG2-CE2 3.76Å; I286-F288 HydrophobicContact CG2-CZ 4.14Å
287E87.3Confident84.3Confident35 Ų3552.1 Ų52.116%0.16427%0.265CS..EExtended strand (participates in β ladder)trans-97.7121.1177.1-178.5178.1-134.400110N240 V241 I266 K267 S268 K321N240-E287 WeakPolarHBondContact O-CA 3.46Å; V241-E287 HydrophobicContact CG2-CB 4.06Å; V241-E287 HydrophobicContact CG2-CG 3.99Å; I266-E287 CarbonylContact C-O 3.54Å; K267-E287 HydrophobicContact CB-CB 4.32Å; K267-E287 HydrophobicContact CB-CG 3.99Å; K267-E287 HydrophobicContact CD-CG 4.2Å; K267-E287 HydrophobicContact CG-CG 4.39Å; K267-E287 PolarHBondContact N-O 3.14Å; S268-E287 PolarHBondContact O-N 3.07Å; S268-E287 WeakPolarHBondContact OG-CB 3.44Å; S268-E287 PolarHBondContact OG-OE2 3.46Å; E287-K321 IonicContact OE1-NZ 2.73Å; E287-K321 PolarHBondContact OE1-NZ 3.3Å; E287-K321 IonicContact OE2-NZ 2.65Å; E287-K321 PolarHBondContact OE2-NZ 2.87Å
288F87.5Confident84.7Confident0 Ų051.2 Ų51.20%025%0.253CS..EExtended strand (participates in β ladder)trans-89.5160.1176.6-78.8-86.2000112.6N240 L242 F260 I266 K267 I286 K290 D293 C294 A297N240-F288 PolarHBondContact O-N 2.87Å; L242-F288 HydrophobicContact CD1-CE2 3.86Å; L242-F288 HydrophobicContact CG-CE2 4.34Å; F260-F288 HydrophobicContact CB-CZ 4.14Å; F260-F288 HydrophobicContact CD1-CE2 4.48Å; F260-F288 HydrophobicContact CD1-CZ 4.15Å; I266-F288 HydrophobicContact CG1-CD1 4.26Å; I266-F288 HydrophobicContact CG1-CE1 3.91Å; I266-F288 HydrophobicContact CG1-CZ 4.32Å; K267-F288 PolarHBondContact NZ-O 2.85Å; I286-F288 HydrophobicContact CG2-CD2 4.29Å; I286-F288 HydrophobicContact CG2-CE2 3.76Å; I286-F288 HydrophobicContact CG2-CZ 4.14Å; F288-K290 VanDerWaalsContact C-N 3.33Å; F288-D293 HydrophobicContact CD1-CB 4.28Å; F288-C294 HydrophobicContact CB-CB 4.33Å; F288-C294 HydrophobicContact CD2-CB 4.09Å; F288-C294 HydrophobicContact CG-CB 4.4Å; F288-A297 HydrophobicContact CE2-CB 4.1Å; F288-A297 HydrophobicContact CZ-CB 3.83Å
289E85.1Confident85.3Confident106 Ų10656.8 Ų56.850%0.49527%0.265SS..SBendtrans-64.2-38.8168.8-76.4-157.9122.800112.4S265 K267S265-E289 VanDerWaalsContact CB-CG 3.49Å; S265-E289 WeakPolarHBondContact CB-OE2 3.42Å; S265-E289 PolarHBondContact O-N 3.47Å; S265-E289 PolarHBondContact OG-OE2 3.04Å; K267-E289 HydrophobicContact CG-CG 3.83Å; K267-E289 VanDerWaalsContact NZ-CA 3.33Å; K267-E289 PolarHBondContact NZ-O 3.26Å; K267-E289 VanDerWaalsContact NZ-O 3.08Å
290K86.6Confident85.6Confident115 Ų11558 Ų5850%0.527%0.265SS..SBendtrans-131.1150.5-172.7-54.1179.1-163.8156.50112.9F288 D293 C294F288-K290 VanDerWaalsContact C-N 3.33Å; K290-D293 IonicContact NZ-OD2 2.69Å; K290-D293 PolarHBondContact O-N 2.67Å; K290-C294 PolarHBondContact O-N 3.5Å
291Q81.6Confident85.7Confident75 Ų7557.9 Ų57.935%0.3526%0.263SS..Hα-helixtrans-67.3-43.1179.1-173.6163.9-2.400112.8E239 N240 D293 C294 E295E239-Q291 HydrophobicContact CB-CG 4.37Å; E239-Q291 PolarHBondContact OE2-NE2 2.81Å; N240-Q291 WeakPolarHBondContact OD1-CA 3.32Å; N240-Q291 WeakPolarHBondContact OD1-CB 3.26Å; N240-Q291 PolarHBondContact OD1-N 2.97Å; Q291-D293 PolarHBondContact O-N 3.15Å; Q291-D293 VanDerWaalsContact O-N 3.15Å; Q291-C294 WeakPolarHBondContact O-CB 3.32Å; Q291-C294 PolarHBondContact O-N 3.16Å; Q291-C294 VanDerWaalsContact O-N 3.14Å; Q291-E295 PolarHBondContact O-N 3.05Å
292E85.1Confident86Confident119 Ų11956.8 Ų56.856%0.55626%0.258SS*.Hα-helixtrans-57.8-34.2178.7-52.2177-164.500112.8K296E292-K296 WeakPolarHBondContact O-CB 3.36Å; E292-K296 VanDerWaalsContact O-CD 3.23Å; E292-K296 WeakPolarHBondContact O-CD 3.34Å; E292-K296 WeakPolarHBondContact O-CE 3.32Å; E292-K296 WeakPolarHBondContact O-CG 3.4Å; E292-K296 PolarHBondContact O-N 2.96Å; E292-K296 IonicContact OE2-NZ 2.7Å; E292-K296 PolarHBondContact OE2-NZ 3.26Å
293D87.8Confident86.1Confident16 Ų1659.2 Ų59.29%0.08627%0.269CS..Hα-helixtrans-80.6-31-176.2-60.8-21.5000110.8F288 K290 Q291 K296 A297F288-D293 HydrophobicContact CD1-CB 4.28Å; K290-D293 IonicContact NZ-OD2 2.69Å; K290-D293 PolarHBondContact O-N 2.67Å; Q291-D293 PolarHBondContact O-N 3.15Å; Q291-D293 VanDerWaalsContact O-N 3.15Å; D293-K296 PolarHBondContact O-N 3.25Å; D293-K296 IonicContact OD1-NZ 3.49Å; D293-K296 PolarHBondContact OD1-NZ 3.06Å; D293-A297 WeakPolarHBondContact O-CB 3.09Å; D293-A297 PolarHBondContact O-N 2.77Å
294C84.3Confident86.1Confident0 Ų058.1 Ų58.10%027%0.269CS..Hα-helixtrans-57.3-51166.4-164.20000111.1E239 L242 F288 K290 Q291 A297 Y298E239-C294 PolarHBondContact O-SG 3.2Å; L242-C294 WeakPolarHBondContact CD2-SG 3.33Å; L242-C294 VanDerWaalsContact CG-SG 3.52Å; F288-C294 HydrophobicContact CB-CB 4.33Å; F288-C294 HydrophobicContact CD2-CB 4.09Å; F288-C294 HydrophobicContact CG-CB 4.4Å; K290-C294 PolarHBondContact O-N 3.5Å; Q291-C294 WeakPolarHBondContact O-CB 3.32Å; Q291-C294 PolarHBondContact O-N 3.16Å; Q291-C294 VanDerWaalsContact O-N 3.14Å; C294-A297 PolarHBondContact O-N 2.81Å; C294-Y298 PolarHBondContact O-N 2.92Å
295E84.9Confident86.1Confident80 Ų8063 Ų6337%0.37430%0.295SS..Hα-helixtrans-63.1-45.5177-68.2168.3-165.200112.2Q291 A297 Y298 F299 F315Q291-E295 PolarHBondContact O-N 3.05Å; E295-A297 PolarHBondContact O-N 3.49Å; E295-Y298 PolarHBondContact O-N 3.24Å; E295-F299 VanDerWaalsContact O-CD2 3.32Å; E295-F299 WeakPolarHBondContact O-CD2 3.5Å; E295-F299 PolarHBondContact O-N 2.64Å; E295-F299 VanDerWaalsContact O-N 3.11Å; E295-F315 HydrophobicContact CG-CE1 4.42Å; E295-F315 HydrophobicContact CG-CZ 4.09Å
296K86.2Confident85.9Confident74 Ų7461.1 Ų61.132%0.32229%0.287SS..Hα-helixtrans-60-32.4176.6-71.7159.9-147.9160.40112.4E292 D293 K300E292-K296 WeakPolarHBondContact O-CB 3.36Å; E292-K296 VanDerWaalsContact O-CD 3.23Å; E292-K296 WeakPolarHBondContact O-CD 3.34Å; E292-K296 WeakPolarHBondContact O-CE 3.32Å; E292-K296 WeakPolarHBondContact O-CG 3.4Å; E292-K296 PolarHBondContact O-N 2.96Å; E292-K296 IonicContact OE2-NZ 2.7Å; E292-K296 PolarHBondContact OE2-NZ 3.26Å; D293-K296 PolarHBondContact O-N 3.25Å; D293-K296 IonicContact OD1-NZ 3.49Å; D293-K296 PolarHBondContact OD1-NZ 3.06Å; K296-K300 WeakPolarHBondContact O-CB 3.17Å; K296-K300 WeakPolarHBondContact O-CD 3.47Å; K296-K300 WeakPolarHBondContact O-CG 3.44Å
297A87.4Confident85.6Confident0 Ų064.7 Ų64.70%031%0.306CS..Hα-helixtrans-75.2-49.1175.100000111.6L242 F260 F263 F288 D293 C294 E295 F299 K300 M301L242-A297 HydrophobicContact CD1-CB 3.87Å; F260-A297 HydrophobicContact CD1-CB 4.09Å; F260-A297 HydrophobicContact CE1-CB 4.4Å; F263-A297 HydrophobicContact CB-CB 3.86Å; F263-A297 HydrophobicContact CD2-CB 3.89Å; F263-A297 HydrophobicContact CG-CB 3.89Å; F288-A297 HydrophobicContact CE2-CB 4.1Å; F288-A297 HydrophobicContact CZ-CB 3.83Å; D293-A297 WeakPolarHBondContact O-CB 3.09Å; D293-A297 PolarHBondContact O-N 2.77Å; C294-A297 PolarHBondContact O-N 2.81Å; E295-A297 PolarHBondContact O-N 3.49Å; A297-F299 PolarHBondContact O-N 3Å; A297-K300 PolarHBondContact O-N 2.9Å; A297-K300 VanDerWaalsContact O-N 3.09Å; A297-M301 WeakPolarHBondContact O-CB 3.38Å; A297-M301 PolarHBondContact O-N 3.4Å
298Y87.4Confident85.3Confident65 Ų6571 Ų7126%0.25534%0.341SS..Hα-helixtrans-49.8-56176.7168.4-100.7000112.1C294 E295 K300 D302 V313 F315C294-Y298 PolarHBondContact O-N 2.92Å; E295-Y298 PolarHBondContact O-N 3.24Å; Y298-K300 PolarHBondContact O-N 2.81Å; Y298-D302 PolarHBondContact O-N 2.9Å; Y298-V313 HydrophobicContact CD2-CB 4.49Å; Y298-V313 HydrophobicContact CD2-CG1 4.26Å; Y298-V313 WeakPolarHBondContact CD2-O 3.43Å; Y298-V313 WeakPolarHBondContact CE2-O 3.19Å; Y298-F315 AromaticContact CD1-CE2 3.84Å; Y298-F315 HydrophobicContact CD1-CE2 3.84Å; Y298-F315 HydrophobicContact CD1-CZ 4.35Å; Y298-F315 HydrophobicContact CD2-CD2 4.32Å; Y298-F315 HydrophobicContact CD2-CE2 4.02Å; Y298-F315 HydrophobicContact CE1-CE2 4.16Å; Y298-F315 HydrophobicContact CE2-CD2 4.45Å; Y298-F315 HydrophobicContact CE2-CE2 4.33Å; Y298-F315 AromaticContact CG-CE2 3.78Å; Y298-F315 HydrophobicContact CG-CE2 3.78Å; Y298-F315 HydrophobicContact CG-CZ 4.21Å
299F85.3Confident85.1Confident162 Ų16275.9 Ų75.971%0.71136%0.36SS*.Hα-helixtrans-65.7-10.4-178-77.8-66000115.4E295 A297E295-F299 VanDerWaalsContact O-CD2 3.32Å; E295-F299 WeakPolarHBondContact O-CD2 3.5Å; E295-F299 PolarHBondContact O-N 2.64Å; E295-F299 VanDerWaalsContact O-N 3.11Å; A297-F299 PolarHBondContact O-N 3Å
300K85.8Confident85.1Confident129 Ų12977.7 Ų77.756%0.56136%0.362SS*.Hα-helixtrans-119-20.3-175.7-67.5178.6-173.8166.50114.4F263 K296 A297 Y298 V304F263-K300 HydrophobicContact CD1-CD 4.12Å; F263-K300 HydrophobicContact CE1-CB 3.83Å; F263-K300 HydrophobicContact CE1-CD 3.65Å; F263-K300 HydrophobicContact CE1-CG 4.39Å; F263-K300 HydrophobicContact CZ-CB 4.15Å; K296-K300 WeakPolarHBondContact O-CB 3.17Å; K296-K300 WeakPolarHBondContact O-CD 3.47Å; K296-K300 WeakPolarHBondContact O-CG 3.44Å; A297-K300 PolarHBondContact O-N 2.9Å; A297-K300 VanDerWaalsContact O-N 3.09Å; Y298-K300 PolarHBondContact O-N 2.81Å; K300-V304 VanDerWaalsContact O-CG2 3.31Å; K300-V304 WeakPolarHBondContact O-CG2 3.41Å
301M84.8Confident85.3Confident14 Ų1472.2 Ų72.27%0.06934%0.338CS..Hα-helixtrans-105.5-15.3-178.1-68-54.3-51.900113.8I259 F260 F263 A297 V304 I306 I311 V313I259-M301 HydrophobicContact CG2-CE 3.35Å; I259-M301 HydrophobicContact CG2-SD 4.08Å; F260-M301 HydrophobicContact CD1-CG 4.26Å; F260-M301 HydrophobicContact CE1-CB 3.75Å; F260-M301 HydrophobicContact CE1-CG 3.77Å; F260-M301 HydrophobicContact CE2-CE 4.27Å; F260-M301 HydrophobicContact CE2-CG 4.48Å; F260-M301 HydrophobicContact CZ-CB 3.69Å; F260-M301 HydrophobicContact CZ-CE 4.37Å; F260-M301 HydrophobicContact CZ-CG 3.9Å; F263-M301 HydrophobicContact CD2-CG 4.21Å; F263-M301 HydrophobicContact CE2-CG 3.39Å; F263-M301 HydrophobicContact CE2-SD 3.53Å; F263-M301 VanDerWaalsContact CE2-SD 3.53Å; F263-M301 HydrophobicContact CZ-CG 3.78Å; F263-M301 HydrophobicContact CZ-SD 3.63Å; A297-M301 WeakPolarHBondContact O-CB 3.38Å; A297-M301 PolarHBondContact O-N 3.4Å; M301-V304 HydrophobicContact CE-CB 4.06Å; M301-V304 HydrophobicContact CE-CG1 3.9Å; M301-V304 HydrophobicContact CE-CG2 4.31Å; M301-V304 WeakPolarHBondContact O-CB 3.35Å; M301-V304 WeakPolarHBondContact O-CG2 3.32Å; M301-V304 PolarHBondContact O-N 2.73Å; M301-V304 HydrophobicContact SD-CG2 4.47Å; M301-I306 HydrophobicContact CE-CD1 4.11Å; M301-I311 HydrophobicContact CB-CD1 4.47Å; M301-I311 HydrophobicContact CE-CD1 4.12Å; M301-I311 WeakPolarHBondContact O-CD1 3.39Å; M301-V313 HydrophobicContact CB-CG2 4Å
302D87.1Confident85.5Confident52 Ų5271.3 Ų71.328%0.27833%0.334SS..THydrogen-bonded Turntrans-60.9141.1171.7-175.553.1000112.3Y298 V304 H312 V313Y298-D302 PolarHBondContact O-N 2.9Å; D302-V304 PolarHBondContact O-N 3.21Å; D302-H312 WeakPolarHBondContact OD1-CA 3.14Å; D302-H312 IonicContact OD1-CE1 3.75Å; D302-H312 IonicContact OD1-CG 3.62Å; D302-H312 IonicContact OD1-ND1 2.73Å; D302-H312 PolarHBondContact OD1-ND1 3.39Å; D302-V313 HydrophobicContact CB-CB 4.35Å; D302-V313 PolarHBondContact OD1-N 2.87Å; D302-V313 VanDerWaalsContact OD1-N 3.13Å
303N84.6Confident85.6Confident78 Ų7865.7 Ų65.742%0.41731%0.308SS..THydrogen-bonded Turntrans56.99.2-177.3-81.6-79.3000116.6R310 I311N303-R310 PolarHBondContact O-NH1 2.7Å; N303-I311 WeakPolarHBondContact CA-O 3.39Å; N303-I311 PolarHBondContact N-O 2.82Å; N303-I311 VanDerWaalsContact N-O 3.08Å
304V86.8Confident85.5Confident49 Ų4967.4 Ų67.430%0.29732%0.317SS..  trans-67.5146.6174.6173.50000111.3K300 M301 D302 I306 R310 I311K300-V304 VanDerWaalsContact O-CG2 3.31Å; K300-V304 WeakPolarHBondContact O-CG2 3.41Å; M301-V304 HydrophobicContact CE-CB 4.06Å; M301-V304 HydrophobicContact CE-CG1 3.9Å; M301-V304 HydrophobicContact CE-CG2 4.31Å; M301-V304 WeakPolarHBondContact O-CB 3.35Å; M301-V304 WeakPolarHBondContact O-CG2 3.32Å; M301-V304 PolarHBondContact O-N 2.73Å; M301-V304 HydrophobicContact SD-CG2 4.47Å; D302-V304 PolarHBondContact O-N 3.21Å; V304-I306 HydrophobicContact CG1-CG1 4.4Å; V304-R310 WeakPolarHBondContact O-CA 3Å; V304-I311 HydrophobicContact CB-CG1 4.44Å; V304-I311 WeakPolarHBondContact O-CG1 3.22Å; V304-I311 PolarHBondContact O-N 3.28Å
305L86.3Confident85.5Confident103 Ų10370.5 Ų70.554%0.53933%0.33SS..EExtended strand (participates in β ladder)trans-83.5121.7173.4-79161000110.5R309 R310L305-R309 WeakPolarHBondContact CA-O 3.43Å; L305-R310 HydrophobicContact CD2-CG 3.66Å; L305-R310 HydrophobicContact CG-CG 3.96Å
306I84.8Confident85.1Confident12 Ų1267 Ų676%0.06232%0.315CS..EExtended strand (participates in β ladder)trans-129.9128170.3-57.3179.3000106.4T251 L256 I259 M301 V304 D308 R309 I311T251-I306 HydrophobicContact CG2-CG2 4.27Å; L256-I306 HydrophobicContact CD2-CD1 4.37Å; I259-I306 HydrophobicContact CD1-CD1 3.86Å; I259-I306 HydrophobicContact CD1-CG1 4.26Å; I259-I306 HydrophobicContact CD1-CG2 4.09Å; I259-I306 HydrophobicContact CG2-CD1 4.27Å; M301-I306 HydrophobicContact CE-CD1 4.11Å; V304-I306 HydrophobicContact CG1-CG1 4.4Å; I306-D308 VanDerWaalsContact C-N 3.35Å; I306-D308 PolarHBondContact O-N 2.73Å; I306-R309 PolarHBondContact N-O 3.43Å; I306-R309 PolarHBondContact O-N 2.93Å; I306-I311 HydrophobicContact CB-CG2 4.25Å; I306-I311 HydrophobicContact CD1-CD1 3.64Å; I306-I311 HydrophobicContact CD1-CG1 4.06Å; I306-I311 HydrophobicContact CD1-CG2 4.03Å; I306-I311 HydrophobicContact CG1-CD1 4.5Å; I306-I311 HydrophobicContact CG1-CG1 4.44Å; I306-I311 HydrophobicContact CG1-CG2 4.33Å
307D80.1Confident84Confident75 Ų7571.1 Ų71.140%0.40134%0.335SS..THydrogen-bonded Turntrans47.752.2179.7-49.8-30.9000113.5N248 T251 R309N248-D307 HydrophobicContact CB-CB 3.7Å; N248-D307 WeakPolarHBondContact ND2-CB 3.43Å; N248-D307 PolarHBondContact ND2-O 3.48Å; T251-D307 WeakPolarHBondContact CB-OD2 3.47Å; T251-D307 PolarHBondContact OG1-OD2 3.17Å; D307-R309 PolarHBondContact O-N 2.72Å
308D81.1Confident82.4Confident168 Ų16873 Ų7390%0.89835%0.348SS*.THydrogen-bonded Turntrans56.88.9-174.6-67-39.1000116.3I306I306-D308 VanDerWaalsContact C-N 3.35Å; I306-D308 PolarHBondContact O-N 2.73Å
309R83.7Confident80.8Confident101 Ų10172.9 Ų72.938%0.38135%0.354SS..EExtended strand (participates in β ladder)trans-114.7137.2179-155.4168.9-177-174.38.2111.1K246 L247 N248 C282 L305 I306 D307 I311K246-R309 WeakPolarHBondContact O-CD 3.36Å; K246-R309 VanDerWaalsContact O-CG 3.25Å; K246-R309 WeakPolarHBondContact O-CG 3.44Å; K246-R309 PolarHBondContact O-NE 2.98Å; L247-R309 WeakPolarHBondContact O-CD 3.33Å; L247-R309 PolarHBondContact O-NH1 3.32Å; N248-R309 HydrophobicContact CB-CB 4.44Å; C282-R309 PolarHBondContact SG-NH1 3.23Å; C282-R309 VanDerWaalsContact SG-NH1 3.37Å; L305-R309 WeakPolarHBondContact CA-O 3.43Å; I306-R309 PolarHBondContact N-O 3.43Å; I306-R309 PolarHBondContact O-N 2.93Å; D307-R309 PolarHBondContact O-N 2.72Å; R309-I311 PolarHBondContact O-N 3.06Å
310R86.4Confident79Confident144 Ų14468.9 Ų68.954%0.54335%0.351SS..EExtended strand (participates in β ladder)trans-79.3114.1171.8-73.2-174.4-178.6-91.54.5109.7K246 N303 V304 L305K246-R310 WeakPolarHBondContact CB-O 3.35Å; N303-R310 PolarHBondContact O-NH1 2.7Å; V304-R310 WeakPolarHBondContact O-CA 3Å; L305-R310 HydrophobicContact CD2-CG 3.66Å; L305-R310 HydrophobicContact CG-CG 3.96Å
311I89.1Confident77.2Confident1 Ų169.8 Ų69.81%0.00536%0.355CS..  trans-73.3159.6170.561.8155.4000110.6V244 C245 L247 F260 M301 N303 V304 I306 R309 V313V244-I311 HydrophobicContact CG1-CB 4.24Å; V244-I311 HydrophobicContact CG1-CD1 3.97Å; C245-I311 WeakPolarHBondContact O-CA 3.42Å; L247-I311 HydrophobicContact CD2-CG2 3.73Å; L247-I311 HydrophobicContact CG-CG2 4.43Å; F260-I311 HydrophobicContact CE2-CD1 4.39Å; F260-I311 HydrophobicContact CZ-CD1 4.14Å; M301-I311 HydrophobicContact CB-CD1 4.47Å; M301-I311 HydrophobicContact CE-CD1 4.12Å; M301-I311 WeakPolarHBondContact O-CD1 3.39Å; N303-I311 WeakPolarHBondContact CA-O 3.39Å; N303-I311 PolarHBondContact N-O 2.82Å; N303-I311 VanDerWaalsContact N-O 3.08Å; V304-I311 HydrophobicContact CB-CG1 4.44Å; V304-I311 WeakPolarHBondContact O-CG1 3.22Å; V304-I311 PolarHBondContact O-N 3.28Å; I306-I311 HydrophobicContact CB-CG2 4.25Å; I306-I311 HydrophobicContact CD1-CD1 3.64Å; I306-I311 HydrophobicContact CD1-CG1 4.06Å; I306-I311 HydrophobicContact CD1-CG2 4.03Å; I306-I311 HydrophobicContact CG1-CD1 4.5Å; I306-I311 HydrophobicContact CG1-CG1 4.44Å; I306-I311 HydrophobicContact CG1-CG2 4.33Å; R309-I311 PolarHBondContact O-N 3.06Å; I311-V313 HydrophobicContact CD1-CG2 3.84Å
312H87.1Confident75.5Confident56 Ų5672.1 Ų72.126%0.25937%0.367SS..EExtended strand (participates in β ladder)trans-130133.5169.1170.548.4000108.6C245 K246 D302C245-H312 PolarHBondContact N-O 3.33Å; C245-H312 PolarHBondContact O-N 3.36Å; K246-H312 HydrophobicContact CD-CB 3.96Å; D302-H312 WeakPolarHBondContact OD1-CA 3.14Å; D302-H312 IonicContact OD1-CE1 3.75Å; D302-H312 IonicContact OD1-CG 3.62Å; D302-H312 IonicContact OD1-ND1 2.73Å; D302-H312 PolarHBondContact OD1-ND1 3.39Å
313V87.8Confident73.2Confident0 Ų078.5 Ų78.50%039%0.392CS..EExtended strand (participates in β ladder)trans-116.8136-174.9-173.20000108.6L242 F243 V244 F260 Y298 M301 D302 I311L242-V313 HydrophobicContact CB-CG1 4.2Å; L242-V313 HydrophobicContact CD1-CG1 3.78Å; L242-V313 HydrophobicContact CD2-CG1 4.33Å; L242-V313 HydrophobicContact CG-CG1 4.33Å; F243-V313 WeakPolarHBondContact O-CA 3.39Å; V244-V313 HydrophobicContact CG1-CG2 4.37Å; V244-V313 HydrophobicContact CG2-CG1 4.37Å; V244-V313 HydrophobicContact CG2-CG2 4.3Å; F260-V313 HydrophobicContact CE1-CG2 4.48Å; F260-V313 HydrophobicContact CZ-CG2 4.11Å; Y298-V313 HydrophobicContact CD2-CB 4.49Å; Y298-V313 HydrophobicContact CD2-CG1 4.26Å; Y298-V313 WeakPolarHBondContact CD2-O 3.43Å; Y298-V313 WeakPolarHBondContact CE2-O 3.19Å; M301-V313 HydrophobicContact CB-CG2 4Å; D302-V313 HydrophobicContact CB-CB 4.35Å; D302-V313 PolarHBondContact OD1-N 2.87Å; D302-V313 VanDerWaalsContact OD1-N 3.13Å; I311-V313 HydrophobicContact CD1-CG2 3.84Å
314D85.7Confident70.9Confident52 Ų5282.4 Ų82.428%0.27840%0.401SS..EExtended strand (participates in β ladder)trans-144.5167.9178.7-166.910000109.9L242 F243L242-D314 CarbonylContact C-O 3.59Å; L242-D314 WeakPolarHBondContact CA-O 3.48Å; F243-D314 HydrophobicContact CD1-CB 4.49Å; F243-D314 PolarHBondContact N-O 3.05Å; F243-D314 PolarHBondContact O-N 3.19Å
315F83.2Confident68.5Low66 Ų6686.8 Ų86.829%0.28942%0.416SS..EExtended strand (participates in β ladder)trans-79138173.6-70.4-88.7000111L242 E295 Y298 Q317L242-F315 HydrophobicContact CD2-CD1 3.99Å; L242-F315 HydrophobicContact CD2-CE1 4.07Å; L242-F315 HydrophobicContact CD2-CG 4.41Å; E295-F315 HydrophobicContact CG-CE1 4.42Å; E295-F315 HydrophobicContact CG-CZ 4.09Å; Y298-F315 AromaticContact CD1-CE2 3.84Å; Y298-F315 HydrophobicContact CD1-CE2 3.84Å; Y298-F315 HydrophobicContact CD1-CZ 4.35Å; Y298-F315 HydrophobicContact CD2-CD2 4.32Å; Y298-F315 HydrophobicContact CD2-CE2 4.02Å; Y298-F315 HydrophobicContact CE1-CE2 4.16Å; Y298-F315 HydrophobicContact CE2-CD2 4.45Å; Y298-F315 HydrophobicContact CE2-CE2 4.33Å; Y298-F315 AromaticContact CG-CE2 3.78Å; Y298-F315 HydrophobicContact CG-CE2 3.78Å; Y298-F315 HydrophobicContact CG-CZ 4.21Å; F315-Q317 PolarHBondContact O-N 3.02Å
316S76.6Confident66Low7 Ų783.8 Ų83.85%0.04941%0.41CS..  trans-70.3104.2-179.4169.20000111.6V241 S318V241-S316 VanDerWaalsContact O-CB 3.3Å; V241-S316 WeakPolarHBondContact O-CB 3.44Å; V241-S316 PolarHBondContact O-N 2.96Å; S316-S318 PolarHBondContact O-N 3.22Å; S316-S318 PolarHBondContact OG-N 3.03Å; S316-S318 PolarHBondContact OG-O 3.38Å; S316-S318 PolarHBondContact OG-OG 3.43Å
317Q62.2Low63.5Low160 Ų16091 Ų9175%0.74844%0.442SS*.  trans-68.2-4.3166.8-56.4177.420.300112.9F315F315-Q317 PolarHBondContact O-N 3.02Å
318S55.6Low61.7Low39 Ų3991 Ų9127%0.27346%0.459SS..  trans-87.6130.5-174.982.70000113.3S316 A320S316-S318 PolarHBondContact O-N 3.22Å; S316-S318 PolarHBondContact OG-N 3.03Å; S316-S318 PolarHBondContact OG-O 3.38Å; S316-S318 PolarHBondContact OG-OG 3.43Å; S318-A320 PolarHBondContact O-N 2.85Å
319V52.4Low59.6Low63 Ų6384.6 Ų84.638%0.38243%0.432SS..  trans-91.328.7174.1-151.40000111.3V235 K321 I322V235-V319 HydrophobicContact CG1-CG1 3.89Å; V319-K321 PolarHBondContact O-N 2.9Å; V319-I322 HydrophobicContact CB-CD1 4.45Å; V319-I322 HydrophobicContact CG1-CD1 3.58Å; V319-I322 HydrophobicContact CG1-CG1 4.05Å; V319-I322 PolarHBondContact O-N 3.37Å
320A48.5Very low57.5Low78 Ų7889 Ų8965%0.64545%0.454SS*.THydrogen-bonded Turntrans-63.7-13.5-158.300000116.2S318 I322S318-A320 PolarHBondContact O-N 2.85Å; A320-I322 PolarHBondContact O-N 3.14Å
321K48.3Very low55.6Low147 Ų14787.8 Ų87.864%0.63945%0.45SS*.THydrogen-bonded Turntrans-71.6-14.6173-66.7-172.1178.2-175.20113.1E287 V319 K323E287-K321 IonicContact OE1-NZ 2.73Å; E287-K321 PolarHBondContact OE1-NZ 3.3Å; E287-K321 IonicContact OE2-NZ 2.65Å; E287-K321 PolarHBondContact OE2-NZ 2.87Å; V319-K321 PolarHBondContact O-N 2.9Å; K321-K323 PolarHBondContact O-N 3Å; K321-K323 VanDerWaalsContact O-N 3.12Å
322I47.5Very low53.7Low63 Ų6391.3 Ų91.332%0.32347%0.472SS..SBendtrans-73.299.8166.1-58.4179.3000108.6P231 V319 A320 W324P231-I322 HydrophobicContact CG-CD1 3.96Å; P231-I322 HydrophobicContact CG-CG2 4.3Å; V319-I322 HydrophobicContact CB-CD1 4.45Å; V319-I322 HydrophobicContact CG1-CD1 3.58Å; V319-I322 HydrophobicContact CG1-CG1 4.05Å; V319-I322 PolarHBondContact O-N 3.37Å; A320-I322 PolarHBondContact O-N 3.14Å; I322-W324 PolarHBondContact O-N 2.65Å
323K39.3Very low51.6Low187 Ų18797.7 Ų97.781%0.81350%0.499SS*.  trans-62.2101-179.9-80.5-174.3174178.10111.9K321 K325K321-K323 PolarHBondContact O-N 3Å; K321-K323 VanDerWaalsContact O-N 3.12Å; K323-K325 PolarHBondContact O-N 3.36Å; K323-K325 VanDerWaalsContact O-N 3.09Å
324W37.7Very low49.4Very low159 Ų159103.1 Ų103.160%0.60253%0.528SS*.  trans-54.6109.4173.4-119.871.5000111.4D229 I322 G326 K327D229-W324 WeakPolarHBondContact OD1-CH2 3.37Å; I322-W324 PolarHBondContact O-N 2.65Å; W324-G326 PolarHBondContact O-N 2.81Å; W324-K327 HydrophobicContact CH2-CG 4.25Å; W324-K327 HydrophobicContact CZ3-CG 4.09Å
325K34.6Very low47.5Very low141 Ų141103.4 Ų103.461%0.61353%0.53SS*.  trans-83.316176.9-98.7-179.7179.2172.90113.9K323 D335K323-K325 PolarHBondContact O-N 3.36Å; K323-K325 VanDerWaalsContact O-N 3.09Å; K325-D335 IonicContact NZ-OD1 3.3Å; K325-D335 PolarHBondContact NZ-OD1 3.04Å
326G35.2Very low45.6Very low40 Ų40106.4 Ų106.441%0.41254%0.543SS..  trans76.9166.517700000114.7W324 G328 G329W324-G326 PolarHBondContact O-N 2.81Å; G326-G328 PolarHBondContact O-N 2.86Å; G326-G328 VanDerWaalsContact O-N 3.16Å; G326-G329 PolarHBondContact O-N 3.41Å; G326-G329 VanDerWaalsContact O-N 3.17Å
327K31.3Very low44.2Very low165 Ų165112.4 Ų112.472%0.71757%0.568SS**THydrogen-bonded Turntrans-61.9117.6-176.6-68.7-152.5165.9-144.60111.3D229 W324D229-K327 IonicContact OD1-NZ 3.38Å; D229-K327 PolarHBondContact OD1-NZ 2.95Å; D229-K327 IonicContact OD2-NZ 2.96Å; D229-K327 PolarHBondContact OD2-NZ 2.88Å; W324-K327 HydrophobicContact CH2-CG 4.25Å; W324-K327 HydrophobicContact CZ3-CG 4.09Å
328G43.4Very low43.4Very low75 Ų75107.8 Ų107.877%0.77356%0.557SS**THydrogen-bonded Turntrans97.72.1179.400000115.9G326 K330G326-G328 PolarHBondContact O-N 2.86Å; G326-G328 VanDerWaalsContact O-N 3.16Å; G328-K330 PolarHBondContact O-N 3.48Å
329G37.4Very low43Very low32 Ų32114.1 Ų114.133%0.3358%0.576SS.*  trans-68.685.2175.400000113.1G326 Y331G326-G329 PolarHBondContact O-N 3.41Å; G326-G329 VanDerWaalsContact O-N 3.17Å; G329-Y331 PolarHBondContact O-N 3.24Å
330K37.9Very low42.8Very low194 Ų194117.5 Ų117.584%0.84359%0.588SS**  trans-63.5116.5175.6-69.6-169.9176-171.10111.2G328G328-K330 PolarHBondContact O-N 3.48Å
331Y47.5Very low42.7Very low118 Ų118121.4 Ų121.446%0.46359%0.59SS.*  trans-61.5140.9166.4-64.5-86.4000110.5G329G329-Y331 PolarHBondContact O-N 3.24Å
332T49.2Very low42.5Very low76 Ų76118.9 Ų118.947%0.46658%0.584SS.*  trans-104.3160.1173.8710000110.6D334 D335T332-D334 PolarHBondContact O-N 2.87Å; T332-D334 VanDerWaalsContact O-N 3.1Å; T332-D335 WeakPolarHBondContact CA-OD2 3.44Å; T332-D335 WeakPolarHBondContact CB-OD2 3.25Å; T332-D335 PolarHBondContact N-OD2 2.84Å; T332-D335 PolarHBondContact O-N 2.99Å; T332-D335 PolarHBondContact OG1-OD2 3.47Å
333K42.7Very low42.5Very low189 Ų189121 Ų12182%0.82260%0.595SS**Hα-helixtrans-65.1-15.7-177.4-163162.6-174.4166.60113.3
334D41.9Very low42.7Very low114 Ų114117.5 Ų117.561%0.6158%0.582SS**Hα-helixtrans-87.7-22.8175.6-61.6-62.8000113.2T332 K337 A338T332-D334 PolarHBondContact O-N 2.87Å; T332-D334 VanDerWaalsContact O-N 3.1Å; D334-K337 PolarHBondContact O-N 3.03Å; D334-A338 PolarHBondContact O-N 3.07Å; D334-A338 VanDerWaalsContact O-N 3.16Å
335D46.2Very low42.9Very low58 Ų58112.6 Ų112.631%0.3157%0.571SS.*Hα-helixtrans-63.2-47.2173.2-66.5-89.5000110.5K325 T332 K337 A338 Y339K325-D335 IonicContact NZ-OD1 3.3Å; K325-D335 PolarHBondContact NZ-OD1 3.04Å; T332-D335 WeakPolarHBondContact CA-OD2 3.44Å; T332-D335 WeakPolarHBondContact CB-OD2 3.25Å; T332-D335 PolarHBondContact N-OD2 2.84Å; T332-D335 PolarHBondContact O-N 2.99Å; T332-D335 PolarHBondContact OG1-OD2 3.47Å; D335-K337 VanDerWaalsContact C-N 3.29Å; D335-K337 PolarHBondContact O-N 3.34Å; D335-A338 WeakPolarHBondContact O-CB 3.33Å; D335-A338 PolarHBondContact O-N 3.07Å; D335-Y339 PolarHBondContact O-N 2.93Å
336F42.4Very low43.3Very low129 Ų129115.4 Ų115.457%0.56658%0.578SS**Hα-helixtrans-59.7-39.7174.9-81.1-94.5000112.3A338 Y339 E340F336-A338 VanDerWaalsContact C-N 3.25Å; F336-A338 PolarHBondContact O-N 2.94Å; F336-Y339 WeakPolarHBondContact O-CB 3.36Å; F336-Y339 PolarHBondContact O-N 3.46Å; F336-E340 PolarHBondContact O-N 3.03Å; F336-E340 VanDerWaalsContact O-N 3.14Å
337K46.8Very low43.7Very low134 Ų134117.5 Ų117.558%0.58359%0.587SS**Hα-helixtrans-70.2-21.4-177.9-154.9173.4-171.4176.70113.2D334 D335 K341D334-K337 PolarHBondContact O-N 3.03Å; D335-K337 VanDerWaalsContact C-N 3.29Å; D335-K337 PolarHBondContact O-N 3.34Å; K337-K341 WeakPolarHBondContact O-CB 3.44Å
338A45.8Very low44Very low62 Ų62116 Ų11651%0.51258%0.58SS.*Hα-helixtrans-73.4-35.5168.800000111.8D334 D335 F336 D342D334-A338 PolarHBondContact O-N 3.07Å; D334-A338 VanDerWaalsContact O-N 3.16Å; D335-A338 WeakPolarHBondContact O-CB 3.33Å; D335-A338 PolarHBondContact O-N 3.07Å; F336-A338 VanDerWaalsContact C-N 3.25Å; F336-A338 PolarHBondContact O-N 2.94Å; A338-D342 PolarHBondContact O-N 3.17Å
339Y47.2Very low43.7Very low173 Ų173120 Ų12068%0.67858%0.583SS**Hα-helixtrans-71-47.7-179.6-169.7-102.7000112.5D335 F336 K341 D342 L343D335-Y339 PolarHBondContact O-N 2.93Å; F336-Y339 WeakPolarHBondContact O-CB 3.36Å; F336-Y339 PolarHBondContact O-N 3.46Å; Y339-K341 VanDerWaalsContact C-N 3.25Å; Y339-K341 PolarHBondContact O-N 2.88Å; Y339-D342 PolarHBondContact O-N 2.88Å; Y339-D342 VanDerWaalsContact O-N 3.11Å; Y339-L343 HydrophobicContact CD1-CD1 4.3Å; Y339-L343 HydrophobicContact CE1-CD1 3.91Å; Y339-L343 PolarHBondContact O-N 3.11Å; Y339-L343 VanDerWaalsContact O-N 3.12Å
340E48.5Very low43.6Very low134 Ų134122.8 Ų122.863%0.62660%0.603SS**Hα-helixtrans-54.7-44172.9-70.2-177121.600111.6F336 D342 L343 E344F336-E340 PolarHBondContact O-N 3.03Å; F336-E340 VanDerWaalsContact O-N 3.14Å; E340-D342 PolarHBondContact O-N 2.81Å; E340-L343 PolarHBondContact O-N 3.11Å; E340-E344 WeakPolarHBondContact O-CB 3.22Å; E340-E344 PolarHBondContact O-N 3.25Å
341K45.6Very low43.2Very low159 Ų159121 Ų12169%0.69160%0.602SS**Hα-helixtrans-64.4-26.6-178.8-171.5179178-172.30113.1K337 Y339 S345K337-K341 WeakPolarHBondContact O-CB 3.44Å; Y339-K341 VanDerWaalsContact C-N 3.25Å; Y339-K341 PolarHBondContact O-N 2.88Å; K341-S345 PolarHBondContact O-N 3.24Å
342D45Very low42.2Very low94 Ų94123 Ų12350%0.50361%0.613SS.*Hα-helixtrans-89.7-24.1177.7-152.948.6000113.3A338 Y339 E340 S345 R346A338-D342 PolarHBondContact O-N 3.17Å; Y339-D342 PolarHBondContact O-N 2.88Å; Y339-D342 VanDerWaalsContact O-N 3.11Å; E340-D342 PolarHBondContact O-N 2.81Å; D342-S345 PolarHBondContact O-OG 3.37Å; D342-S345 PolarHBondContact OD1-OG 3.43Å; D342-R346 WeakPolarHBondContact O-CG 3.1Å; D342-R346 PolarHBondContact O-N 3.11Å
343L47.3Very low41.3Very low107 Ų107125.5 Ų125.556%0.5662%0.623SS**Hα-helixtrans-64-45.3159.4-100.678.8000110.7Y339 E340 S345 R346 S347Y339-L343 HydrophobicContact CD1-CD1 4.3Å; Y339-L343 HydrophobicContact CE1-CD1 3.91Å; Y339-L343 PolarHBondContact O-N 3.11Å; Y339-L343 VanDerWaalsContact O-N 3.12Å; E340-L343 PolarHBondContact O-N 3.11Å; L343-S345 PolarHBondContact O-N 3.21Å; L343-R346 PolarHBondContact O-N 2.84Å; L343-S347 PolarHBondContact O-N 2.75Å; L343-S347 PolarHBondContact O-OG 2.86Å
344E43.9Very low40.7Very low115 Ų115124 Ų12454%0.53762%0.619SS.*Hα-helixtrans-68.7-15.8178.1-99.5-154.5-153.800114.7E340 K348E340-E344 WeakPolarHBondContact O-CB 3.22Å; E340-E344 PolarHBondContact O-N 3.25Å; E344-K348 VanDerWaalsContact O-CD 3.23Å; E344-K348 WeakPolarHBondContact O-CD 3.48Å; E344-K348 VanDerWaalsContact O-CE 3.3Å; E344-K348 WeakPolarHBondContact O-CE 3.39Å; E344-K348 WeakPolarHBondContact O-CG 3.17Å; E344-K348 PolarHBondContact O-NZ 2.97Å; E344-K348 IonicContact OE2-NZ 2.63Å; E344-K348 PolarHBondContact OE2-NZ 3.02Å
345S41.7Very low40Very low55 Ų55126 Ų12639%0.38564%0.635SS.*Hα-helixtrans-80.4-44.3174.577.10000110.3K341 D342 L343 K348K341-S345 PolarHBondContact O-N 3.24Å; D342-S345 PolarHBondContact O-OG 3.37Å; D342-S345 PolarHBondContact OD1-OG 3.43Å; L343-S345 PolarHBondContact O-N 3.21Å; S345-K348 PolarHBondContact O-N 2.86Å
346R41.8Very low39.1Very low200 Ų200132.4 Ų132.476%0.75566%0.66SS**Hα-helixtrans-71-34.2-177.6-63.2173.481.8166.34.9112.7D342 L343 K348D342-R346 WeakPolarHBondContact O-CG 3.1Å; D342-R346 PolarHBondContact O-N 3.11Å; L343-R346 PolarHBondContact O-N 2.84Å; R346-K348 VanDerWaalsContact C-N 3.29Å; R346-K348 PolarHBondContact O-N 3.04Å
347S44.5Very low38.9Very low84 Ų84132 Ų13259%0.58767%0.67SS**G310 helixtrans-72.5-14.3179.661.70000115L343L343-S347 PolarHBondContact O-N 2.75Å; L343-S347 PolarHBondContact O-OG 2.86Å
348K36.8Very low38Very low135 Ų135135.3 Ų135.359%0.58769%0.685SS**G310 helixtrans-92.14.3-176.4-69.8174.6-170.2132.20114.7E344 S345 R346E344-K348 VanDerWaalsContact O-CD 3.23Å; E344-K348 WeakPolarHBondContact O-CD 3.48Å; E344-K348 VanDerWaalsContact O-CE 3.3Å; E344-K348 WeakPolarHBondContact O-CE 3.39Å; E344-K348 WeakPolarHBondContact O-CG 3.17Å; E344-K348 PolarHBondContact O-NZ 2.97Å; E344-K348 IonicContact OE2-NZ 2.63Å; E344-K348 PolarHBondContact OE2-NZ 3.02Å; S345-K348 PolarHBondContact O-N 2.86Å; R346-K348 VanDerWaalsContact C-N 3.29Å; R346-K348 PolarHBondContact O-N 3.04Å
349L38.1Very low37.1Very low158 Ų158140.6 Ų140.683%0.82770%0.699SS**G310 helixtrans-99.58.7-177.7-107.8160.9000114.7
350A34.2Very low36.1Very low90 Ų90138.4 Ų138.474%0.74470%0.699SS**  trans-127.987.5179.300000113
351L29.2Very low35.2Very low157 Ų157137 Ų13782%0.82270%0.704SS**  trans-138.6138.6167-97.1161.4000104.9
352K28.2Very low34.3Very low160 Ų160136.6 Ų136.670%0.69670%0.702SS**  cis-172.8142.818.1178.9-176-175.8-178.80109.6
353D29.8Very low33.3Very low129 Ų129141 Ų14169%0.6971%0.713SS**  trans171123.7140.1-91.5-19.1000110.2
354Q28.9Very low32.3Very low158 Ų158142.3 Ų142.374%0.73872%0.721SS**  80.28968.6-76.1-161.695.600115.9
355V28.6Very low31.6Very low154 Ų154144.3 Ų144.393%0.93373%0.734SS**  trans-142.5155.7139179.30000108.5
356K26.2Very low30.8Very low193 Ų193149.7 Ų149.784%0.83976%0.758SS**  trans-93.9163.7-177.2-94.8-178.6178.1178.80113.7
357P38.1Very low30Very low120 Ų120146.6 Ų146.678%0.77976%0.755SS**  trans-85.6169.3-162.335.1-38.8000115.5
358K27.9Very low29.1Very low204 Ų204150.4 Ų150.489%0.88776%0.764SS**  trans-137158160.8-88.2-170.6172.9-176.60111
359Q27.6Very low28.6Very low173 Ų173151.1 Ų151.181%0.80877%0.773SS**  trans-75.8175.1173.3-55.5153.2-116.200110.2
360D26.3Very low28Very low127 Ų127152.5 Ų152.568%0.67978%0.776SS**  cis-159.3-174.724.2-136.2-49.8000112.2
361S28.9Very low27.6Very low105 Ų105156.5 Ų156.573%0.73478%0.779SS**  trans71.4132178.372.70000116.2
362K26.3Very low27.4Very low151 Ų151152.6 Ų152.666%0.65777%0.77SS**  cis70.696.29.2-145.2-152.5-169-1610113.8
363Y25.3Very low27.3Very low185 Ų185149.5 Ų149.573%0.72577%0.773SS**  -172.8163.969.1-90-60.8000108.1
364D26.6Very low27.1Very low135 Ų135151.8 Ų151.872%0.72278%0.782SS**  cis-165.6-169.8-29.9-143.3-45.7000108.2
365L28Very low27Very low158 Ų158148.6 Ų148.683%0.82778%0.778SS**  trans-77.2139.9167.3-82.1166.8000113.1
366L26Very low26.9Very low168 Ų168148.4 Ų148.488%0.8877%0.766SS**  -170.3163.3129.4-108.6169.5000113.4
367I24.8Very low26.8Very low135 Ų135149.8 Ų149.869%0.69277%0.766SS**  trans-98.8140.3167.9-65.7164.4000107.3
368E24.6Very low26Very low164 Ų164152.8 Ų152.877%0.76677%0.769SS**  trans159.4135130.7-108.9123.6-115.400112.4
369D27.2Very low26.7Very low149 Ų149148.3 Ų148.380%0.79776%0.761SS**  trans37123.4141.5-57.73.3000123.5
370E24.8Very low26.5Very low187 Ų187146.5 Ų146.587%0.87475%0.753SS**  trans-153.8155131.2-112171.9179.700106.5
371E25.9Very low26.4Very low175 Ų175147.6 Ų147.682%0.81875%0.752SS**  cis-156.6172.630-131.5-170.4-177.400108.1
372A26.1Very low26.2Very low75 Ų75151 Ų15162%0.6275%0.753SS**  cis-159.8151.8500000111.2
373A26Very low26.2Very low94 Ų94150.7 Ų150.778%0.77775%0.754SS**  trans-172.897.113900000114
374M24.2Very low26.1Very low177 Ų177149.7 Ų149.787%0.87275%0.753SS**  17.2138.5126.9-76.6-172-76.100120.1
375S26.8Very low26Very low92 Ų92150.4 Ų150.464%0.64375%0.75SS**  cis-170.8162.611.456.90000117.2
376H27.8Very low25.9Very low149 Ų149149 Ų14969%0.6974%0.739SS**  trans79.1102.9139.4-69-9.9000124.7
377R23.6Very low26Very low222 Ų222147.7 Ų147.784%0.83873%0.728SS**  71.3103.5117.4-66.2178.8-175.4-150.81.3121.8
378H22Very low26.1Very low183 Ų183148 Ų14885%0.84773%0.726SS**  -17.7165.2129.6-75.5-49.2000118.8
379P42.5Very low26.4Very low111 Ų111146.5 Ų146.572%0.72172%0.719SS**  cis-117-148.912.215.811.4000112.6
380E22.2Very low26.5Very low135 Ų135143.8 Ų143.863%0.63171%0.711SS**  cis-152.2170.514.4-126.7-4859.300113.5
381K25.6Very low26.7Very low150 Ų150140.9 Ų140.965%0.65270%0.702SS**  trans-65.1143.6178.6-50.2152.8-164.286.50116.5
382K24Very low26.9Very low176 Ų176139.7 Ų139.777%0.76570%0.701SS**  165.9140.8108.8-95.4170.5177.4169.90117.8
383H25.6Very low27.2Very low144 Ų144144 Ų14467%0.66771%0.708SS**  trans65.5122.4139.4-71.9-35.4000125.4
384K24.6Very low27.5Very low165 Ų165143.7 Ų143.772%0.71769%0.694SS**  81.8120.1123.2-74.2178.8177.4175.20122.8
385K24.5Very low27.9Very low149 Ų149139.7 Ų139.765%0.64868%0.683SS**  87.6116.3124.3-80-172.5161.4-121.50122.3
386H25.5Very low28.1Very low129 Ų129144.6 Ų144.660%0.59769%0.688SS**  trans70.6168.6130.8-53.3-35.7000118.1
387H27.7Very low28.2Very low140 Ų140147.1 Ų147.165%0.64870%0.697SS**  cis-152.9155.319.7-107.4-69.8000113.5
388H28.1Very low28.5Very low143 Ų143142 Ų14266%0.66270%0.695SS**  trans64.4161.3146.8-77.7-60.6000120.7
389H30.1Very low28.9Very low131 Ų131142.8 Ų142.861%0.60670%0.696SS**  cis-151.9159.2-1.4-139.5-57.6000113.6D391H389-D391 IonicContact CE1-OD2 3.71Å; H389-D391 IonicContact ND1-OD2 3.35Å
390S28.9Very low28.3Very low92 Ų92146.6 Ų146.664%0.64370%0.701SS**  trans62.8147.3140.156.20000123.8
391D29.5Very low28.7Very low126 Ų126147.4 Ų147.467%0.67471%0.705SS**  cis-167.6-170.8-24.3-96-33.2000108.5H389H389-D391 IonicContact CE1-OD2 3.71Å; H389-D391 IonicContact ND1-OD2 3.35Å
392D30.4Very low29Very low151 Ų151147.7 Ų147.781%0.80771%0.706SS**  trans75.7105.9176-58.9-31.3000116.3
393E32.2Very low29.2Very low164 Ų164145.5 Ų145.577%0.76670%0.703SS**  cis73.4136.842.3-62.1-82.4120.200114.1
394D31.8Very low29.3Very low88 Ų88144.9 Ų144.947%0.47170%0.704SS.*  cis-153.8157.7-11.8-179.424000110.3R396D394-R396 IonicContact OD1-CZ 3.8Å; D394-R396 IonicContact OD1-NE 3.5Å; D394-R396 PolarHBondContact OD1-NE 3.14Å; D394-R396 IonicContact OD1-NH2 3.77Å; D394-R396 PolarHBondContact OD1-NH2 2.84Å; D394-R396 IonicContact OD2-CZ 2.75Å; D394-R396 IonicContact OD2-NE 3.42Å; D394-R396 IonicContact OD2-NH2 3.59Å; D394-R396 PolarHBondContact OD2-NH2 2.99Å
395S32Very low29.6Very low94 Ų94144.7 Ų144.766%0.65771%0.706SS**  trans76.5153.8146.289.70000120.7
396R30.7Very low29.9Very low195 Ų195144.6 Ų144.674%0.73671%0.708SS**  cis-170.5170.3-29.3-108.7158.1-135-1666.8108.1D394D394-R396 IonicContact OD1-CZ 3.8Å; D394-R396 IonicContact OD1-NE 3.5Å; D394-R396 PolarHBondContact OD1-NE 3.14Å; D394-R396 IonicContact OD1-NH2 3.77Å; D394-R396 PolarHBondContact OD1-NH2 2.84Å; D394-R396 IonicContact OD2-CZ 2.75Å; D394-R396 IonicContact OD2-NE 3.42Å; D394-R396 IonicContact OD2-NH2 3.59Å; D394-R396 PolarHBondContact OD2-NH2 2.99Å
397K29.9Very low30.4Very low201 Ų201142.6 Ų142.687%0.87471%0.708SS**  trans86140.3171.5-56.5172.2-177.6170.10114.7
398S31Very low30.6Very low116 Ų116146.6 Ų146.681%0.81172%0.718SS**  cis-156.1155.8-6.833.90000113.8
399K31Very low30.9Very low199 Ų199150.8 Ų150.887%0.86573%0.728SS**  trans-66.6142.8-179.7-51168.3-179.1177.80112.9
400K29.2Very low31.1Very low191 Ų191150.1 Ų150.183%0.8373%0.728SS**  177.5125.2103.5-102.8-173.7171.1-176.30115.9
401H31.6Very low31.3Very low151 Ų151155.4 Ų155.470%0.69973%0.734SS**  50.9127.3128.6-83-108.9000123.9
402K30.3Very low31.6Very low156 Ų156158.8 Ų158.868%0.67874%0.743SS**  trans66.9150.9131.4-71-171.1150.3-77.40119.1
403D28.7Very low31.7Very low131 Ų131157.7 Ų157.770%0.70175%0.747SS**  cis-147.1-170.9-2.6-112.8-19.5000110.5
404N28Very low31.6Very low130 Ų130153.6 Ų153.670%0.69575%0.749SS**  trans-98.2167.7-166.8-156.328.1000116
405E31.3Very low31.7Very low162 Ų162161.2 Ų161.276%0.75777%0.771SS**  trans67.3161.8164-76.5154.9-128.200117.8
406E30.8Very low31.7Very low147 Ų147165.8 Ų165.869%0.68778%0.782SS**  cis-140.4-171.712.9-148.2-144.2136.500113.2
407S36Very low31.8Very low86 Ų86167.7 Ų167.760%0.60179%0.789SS**  trans-108.1169.4-167.4760000116.2
408R31.1Very low32Very low225 Ų225164.3 Ų164.385%0.84979%0.791SS**  trans-170.5-175.7145.7-100.2145.5-145-131.65.3115.1
409R34.3Very low31.9Very low231 Ų231161.8 Ų161.887%0.87278%0.783SS**  trans-129.3-175-149.2-59.4176.4172.9166.4-3.7115.9
410D33.8Very low32Very low116 Ų116157.6 Ų157.662%0.6278%0.779SS**  trans86.2154.1158.4-66.6-30000118.1
411R33.6Very low32Very low203 Ų203159.6 Ų159.677%0.76678%0.781SS**  cis-167.2144.4-16.2-108.7169.5-149.9-178.720.8114.2
412K35.9Very low32.1Very low198 Ų198157 Ų15786%0.86178%0.78SS**  trans37154.7143.1-86-173.6175.3-179.70125.7
413S32.6Very low32.1Very low128 Ų128160.6 Ų160.690%0.89579%0.789SS**  trans87.9158.5159.380.50000117.8
414G30Very low32.2Very low78 Ų78159 Ų15980%0.80479%0.788SS**  cis-170.1172.20.600000113.7
415R33.3Very low32.5Very low248 Ų248164 Ų16494%0.93680%0.798SS**  trans-89.6156.3-174.9-73.4172.3160.8166.5-7.1114.5
416Q33.5Very low32.6Very low190 Ų190161.1 Ų161.189%0.88880%0.795SS**  -171.8-172.2116.9-101.7-168.250.600116.5
417R32.6Very low32.7Very low235 Ų235165.7 Ų165.789%0.88781%0.807SS**  trans-104.7154.5-141.4-69169.7160.7160.4-8.1119
418S32.9Very low32.6Very low129 Ų129168.7 Ų168.790%0.90282%0.816SS**  trans-153.9171143.264.90000109.5
419G29.1Very low32.7Very low63 Ų63169.7 Ų169.765%0.64982%0.82SS**  cis178.741.1-8.300000118.2
420S33.5Very low32.8Very low112 Ų112165.4 Ų165.478%0.78381%0.814SS**  trans69.1168.6-178.773.70000115
421R29.2Very low32.8Very low232 Ų232171.7 Ų171.788%0.87583%0.829SS**  cis-147.917522.6-88.2152.9-169.8-176.50.3109.2
422S34Very low32.7Very low97 Ų97170.1 Ų170.168%0.67883%0.83SS**  cis-176.3171.9-28.666.50000111
423R30.4Very low32.7Very low231 Ų231168.9 Ų168.987%0.87283%0.827SS**  trans7486.8161.7-73-175.6173.2162.4-1121.9
424S31.2Very low32.6Very low97 Ų97172.8 Ų172.868%0.67883%0.828SS**  59.3118.9115.766.30000123.7
425R33.3Very low32.7Very low235 Ų235177 Ų17789%0.88783%0.826SS**  164.8109.1121.3-89164.3-177.6178.41.4108.4
426S32.6Very low32.5Very low102 Ų102170.6 Ų170.671%0.71382%0.82SS**  69.297.954.281.50000115.9
427R33.8Very low32.4Very low244 Ų244170.2 Ų170.292%0.92182%0.815SS**  trans-178.7113.6130.9-105.5174.1-175.4174.82.7113.1
428D34.2Very low32.3Very low148 Ų148165 Ų16579%0.79182%0.815SS**  trans-73.2160.7161.5-44-91.3000111.2
429R33.4Very low32.2Very low247 Ų247169.3 Ų169.393%0.93281%0.811SS**  trans-164101.7150.8-116.2176.9-168.1-167.72.1112.5
430D35.8Very low32.3Very low141 Ų141172.7 Ų172.775%0.75481%0.814SS**  trans-64.2153.8156.9-47.8-82.4000110.8
431R33.7Very low32.3Very low247 Ų247174.4 Ų174.493%0.93281%0.807SS**  -169.8157.5112.9-105.8172.5-179.8175.10.9114.4
432E32.6Very low32.4Very low170 Ų170172.8 Ų172.879%0.79481%0.809SS**  trans-94.1167-168.7-50.3164.9100.900114.3
433H35.8Very low32.1Very low172 Ų172171.6 Ų171.680%0.79681%0.813SS**  trans11.8140.4144.5-67.2-63.1000121.2
434K29.5Very low32.3Very low211 Ų211170.2 Ų170.292%0.91781%0.813SS**  -165.7162.2102.9-104.7155.2-171.9166.50116.7
435H32.2Very low32.2Very low165 Ų165174 Ų17476%0.76482%0.82SS**  trans-74.3150-179.1-95.2-59.2000115.1
436S28.9Very low32.2Very low114 Ų114167.6 Ų167.680%0.79781%0.811SS**  -172.5143.8114.737.70000109
437K32.6Very low32.2Very low183 Ų183173.8 Ų173.880%0.79682%0.819SS**  cis74.69234.2-86.6-172.3173.6172.30116.1
438S29.9Very low32.1Very low126 Ų126169.2 Ų169.288%0.88181%0.812SS**  175.5177.7122.750.60000112.6
439R30.9Very low32.2Very low219 Ų219171.7 Ų171.783%0.82682%0.816SS**  -177.3156.4-57.8-158.1-175.7-171.9-177.52.6108.8
440L31.5Very low32Very low134 Ų134163.1 Ų163.170%0.70281%0.805SS**  trans75.3157165.3-45.6175.9000115.5
441K33.5Very low31.9Very low147 Ų147163.9 Ų163.964%0.63980%0.803SS**  cis-165.9156.9-15.1-121.4178167-170.50112.3
442H31.1Very low31.9Very low198 Ų198163.7 Ų163.792%0.91780%0.803SS**  trans65.3160.2154.7-66.8-36.8000118
443G27.4Very low31.9Very low73 Ų73160.9 Ų160.975%0.75379%0.789SS**  cis-144.2-159.78.500000115.7
444K33.6Very low31.8Very low202 Ų202162.7 Ų162.788%0.87879%0.789SS**  trans-106.6155-179.2-61.3177.6177.3-179.20111.4
445E30.3Very low32Very low177 Ų177156.5 Ų156.583%0.82777%0.772SS**  trans161.3142.8131.2-86.9177.4-177.900108.3
446S32.2Very low32.1Very low100 Ų100159.5 Ų159.570%0.69978%0.777SS**  cis95.672.621.8-55.80000116.3
447R32.8Very low32.3Very low232 Ų232158.9 Ų158.988%0.87577%0.773SS**  trans-174.4131.9142.2-97.1143.7178.2174.80.7108.5
448D32.7Very low32.3Very low147 Ų147162.2 Ų162.279%0.78678%0.78SS**  cis98.7151.341.2-174.135.2000112.5
449K35.8Very low32.6Very low201 Ų201161.6 Ų161.687%0.87478%0.776SS**  trans86.2128.2-158.3-58.7176179.6177.80114.8
450G30.3Very low33.6Very low67 Ų67156.9 Ų156.969%0.69177%0.774SS**  cis161.7130-12.300000115.6
451H33Very low33.6Very low157 Ų157162.6 Ų162.673%0.72779%0.786SS**  trans40.2115.2159.7-72.2-87.7000121.7E453H451-E453 IonicContact CE1-OE1 3.34Å; H451-E453 PolarHBondContact CE1-OE1 3.35Å; H451-E453 IonicContact ND1-OE1 3.08Å; H451-E453 PolarHBondContact ND1-OE1 3.02Å; H451-E453 VanDerWaalsContact ND1-OE1 3.08Å
452R33Very low33.7Very low243 Ų243165.6 Ų165.692%0.91780%0.799SS**  -167.6122.5107.2-99.8169.9-178.3-178.80.5107.2
453E33.4Very low33.9Very low110 Ų110161.6 Ų161.651%0.51479%0.793SS.*  cis50.1114.339.1-98.5-165.2-82.700111.3H451H451-E453 IonicContact CE1-OE1 3.34Å; H451-E453 PolarHBondContact CE1-OE1 3.35Å; H451-E453 IonicContact ND1-OE1 3.08Å; H451-E453 PolarHBondContact ND1-OE1 3.02Å; H451-E453 VanDerWaalsContact ND1-OE1 3.08Å
454R33.9Very low34.3Very low211 Ų211166.8 Ų166.880%0.79680%0.795SS**  cis-157.417422.9-84.5176.8-170167.38.4107.8
455S34Very low34.5Very low80 Ų80163.1 Ų163.156%0.55979%0.785SS**  cis174158.5-22.465.30000107.3
456R32.6Very low35Very low228 Ų228164.4 Ų164.486%0.8679%0.788SS**  trans61.7103.8156.9-65.4165-179.3175.1-0.6116.8
457S34.5Very low35.3Very low102 Ų102166.3 Ų166.371%0.71379%0.79SS**  68.2113.872.976.60000115.7
458R31.5Very low35.5Very low252 Ų252165.3 Ų165.395%0.95179%0.787SS**  trans-179109.1145-104.8163.3-176.7-178.60.8112.7
459S37.1Very low35.9Very low113 Ų113163 Ų16379%0.7978%0.782SS**  trans-90.3-178.7147.8-34.50000108.3
460P50.9Low36.1Very low120 Ų120163.4 Ų163.478%0.77978%0.778SS**  cis-124.9176.8-26.539.5-26.8000111.6
461R32.3Very low36.8Very low254 Ų254169.2 Ų169.296%0.95878%0.784SS**  trans-143.9140.4155.9-81.9-157.4165-173.2-5.6113.8
462K35.3Very low37.1Very low210 Ų210176.4 Ų176.491%0.91381%0.805SS**  trans-100.5144.6170.3-89.9-174.8171.4-176.70110.6
463S34.5Very low37.4Very low114 Ų114173.1 Ų173.180%0.79780%0.8SS**  trans180144.7154.849.80000109.7
464K35.6Very low37.6Very low183 Ų183176.4 Ų176.480%0.79682%0.815SS**  cis-168.7149.6-24.6-133.7-159.2172.1-156.40107.5
465D38.7Very low37.8Very low125 Ų125174.4 Ų174.467%0.66882%0.816SS**  trans0.8129.4161.9-34.2-47.2000120
466K40.5Very low38Very low203 Ų203180 Ų18088%0.88383%0.831SS**  trans-161.5101.9135-115.5172.8-174.9-179.10115.1
467D38.2Very low38.3Very low140 Ų140177 Ų17775%0.74983%0.829SS**  trans30.2143134.4-94.6-56.3000124.3
468R38.1Very low38.6Very low212 Ų212182 Ų18280%0.884%0.837SS**  trans77.689.5139.7-74.7172.9-176.6-153.1-3.2122.1
469S40Very low39.1Very low98 Ų98177 Ų17769%0.68583%0.828SS**  60.1146.6101.575.40000123.3
470R39.9Very low39.2Very low210 Ų210181.9 Ų181.979%0.79283%0.831SS**  trans86.2124.6143.3-95.1-179.8175.9-180-0.7119.1
471F44.9Very low38.3Very low188 Ų188187.1 Ų187.183%0.82584%0.836SS**  trans64.6142.1173.7-53.8-71.3000113.6
472R41Very low38.8Very low308 Ų308181 Ų181100%1.16283%0.825SS**  cis-130.9023.4-152.5177.9-163.6176.13.1113

Retrieved 472 of 472 residues in 292.8 ms (Link to these results)

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