A0A077Z0T9_TRITR Loading...

SMEK protein

AlphaFold DB , UniProt , Accession A0A077Z0T9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 243 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
1M40.7Very low58.5Low219 Ų219100.4 Ų100.4100%1.07959%0.586SS**  0-1.40-88.3167.3152.200114.7
2N49.5Very low59.8Low127 Ų127100.4 Ų100.468%0.67958%0.582SS**  trans-91.6-8.4-171-70.52.4000116.5S6N2-S6 WeakPolarHBondContact O-CB 3.05Å; N2-S6 PolarHBondContact O-N 3.24Å; N2-S6 VanDerWaalsContact O-N 3.09Å
3S50.3Low60.6Low95 Ų9597.8 Ų97.866%0.66456%0.561SS**Hα-helixtrans-72-39.3-174.254.80000113.4S6 S7S3-S6 PolarHBondContact O-N 2.81Å; S3-S6 PolarHBondContact O-OG 2.98Å; S3-S7 PolarHBondContact O-N 3.35Å; S3-S7 VanDerWaalsContact O-N 3.08Å
4S53.9Low61.1Low83 Ų8394.6 Ų94.658%0.5855%0.547SS*.Hα-helixtrans-71.9-36.6179.854.10000113.1S7 S8S4-S7 PolarHBondContact O-OG 3.01Å; S4-S8 PolarHBondContact O-N 3.37Å
5Q52.9Low61.8Low133 Ų13397.1 Ų97.162%0.62154%0.543SS*.Hα-helixtrans-66.3-42.5171-96.5-179.4-10.500111S7 S8 V9Q5-S7 VanDerWaalsContact C-N 3.29Å; Q5-S7 PolarHBondContact O-N 3.23Å; Q5-S8 PolarHBondContact O-N 3.03Å; Q5-S8 PolarHBondContact O-OG 3.37Å; Q5-V9 WeakPolarHBondContact O-CG2 3.42Å; Q5-V9 PolarHBondContact O-N 2.88Å; Q5-V9 VanDerWaalsContact O-N 3.07Å
6S56.9Low62.4Low65 Ų6595.4 Ų95.446%0.45554%0.536SS..Hα-helixtrans-58.4-40.5177.779.40000112.1N2 S3 V10N2-S6 WeakPolarHBondContact O-CB 3.05Å; N2-S6 PolarHBondContact O-N 3.24Å; N2-S6 VanDerWaalsContact O-N 3.09Å; S3-S6 PolarHBondContact O-N 2.81Å; S3-S6 PolarHBondContact O-OG 2.98Å; S6-V10 WeakPolarHBondContact O-CB 3.41Å; S6-V10 WeakPolarHBondContact O-CG2 3.36Å; S6-V10 PolarHBondContact O-N 2.75Å
7S63.1Low62.8Low72 Ų7291.6 Ų91.650%0.50352%0.519SS..Hα-helixtrans-68.3-40.2179.661.30000112.3S3 S4 Q5 V10 D11S3-S7 PolarHBondContact O-N 3.35Å; S3-S7 VanDerWaalsContact O-N 3.08Å; S4-S7 PolarHBondContact O-OG 3.01Å; Q5-S7 VanDerWaalsContact C-N 3.29Å; Q5-S7 PolarHBondContact O-N 3.23Å; S7-V10 PolarHBondContact O-N 3.04Å; S7-D11 WeakPolarHBondContact O-CB 3.46Å; S7-D11 PolarHBondContact O-N 3.42Å
8S70.8Confident63.3Low61 Ų6188.9 Ų88.943%0.42750%0.502SS..Hα-helixtrans-63.9-44.1177.566.80000112.7S4 Q5 V10 D11 D12S4-S8 PolarHBondContact O-N 3.37Å; Q5-S8 PolarHBondContact O-N 3.03Å; Q5-S8 PolarHBondContact O-OG 3.37Å; S8-V10 VanDerWaalsContact C-N 3.34Å; S8-V10 PolarHBondContact O-N 2.87Å; S8-D11 PolarHBondContact O-N 3.3Å; S8-D12 PolarHBondContact O-N 3.09Å
9V70.1Confident63.9Low80 Ų8092.2 Ų92.249%0.48551%0.505SS..Hα-helixtrans-65.4-39.3178.2175.20000111Q5 Q13Q5-V9 WeakPolarHBondContact O-CG2 3.42Å; Q5-V9 PolarHBondContact O-N 2.88Å; Q5-V9 VanDerWaalsContact O-N 3.07Å; V9-Q13 WeakPolarHBondContact O-CG 3.33Å; V9-Q13 PolarHBondContact O-N 3.39Å
10V65.3Low64.4Low63 Ų6395.3 Ų95.338%0.38251%0.509SS..Hα-helixtrans-63-43176.5170.70000111.1S6 S7 S8 Q13 C14 F230S6-V10 WeakPolarHBondContact O-CB 3.41Å; S6-V10 WeakPolarHBondContact O-CG2 3.36Å; S6-V10 PolarHBondContact O-N 2.75Å; S7-V10 PolarHBondContact O-N 3.04Å; S8-V10 VanDerWaalsContact C-N 3.34Å; S8-V10 PolarHBondContact O-N 2.87Å; V10-Q13 PolarHBondContact O-N 3.08Å; V10-C14 VanDerWaalsContact O-CB 3.3Å; V10-C14 WeakPolarHBondContact O-CB 3.35Å; V10-C14 PolarHBondContact O-N 2.7Å; V10-F230 HydrophobicContact CB-CZ 4.12Å; V10-F230 HydrophobicContact CG1-CE1 4.5Å; V10-F230 HydrophobicContact CG1-CZ 3.88Å; V10-F230 HydrophobicContact CG2-CE1 3.87Å; V10-F230 HydrophobicContact CG2-CZ 3.74Å
11D70.5Confident64.9Low106 Ų10692 Ų9257%0.56749%0.491SS*.Hα-helixtrans-69.4-39.8-177.9-154.320.4000111.8S7 S8 C14 R15S7-D11 WeakPolarHBondContact O-CB 3.46Å; S7-D11 PolarHBondContact O-N 3.42Å; S8-D11 PolarHBondContact O-N 3.3Å; D11-C14 WeakPolarHBondContact O-CB 3.46Å; D11-C14 PolarHBondContact O-N 3.44Å; D11-R15 WeakPolarHBondContact O-CG 2.99Å; D11-R15 PolarHBondContact O-N 3.23Å
12D73.2Confident66.6Low101 Ų10186.2 Ų86.254%0.5446%0.46SS..Hα-helixtrans-64.2-43.6173.6-88.9-16.6000112.3S8 C14 R15 V16S8-D12 PolarHBondContact O-N 3.09Å; D12-C14 VanDerWaalsContact C-N 3.33Å; D12-C14 PolarHBondContact O-N 2.92Å; D12-R15 PolarHBondContact O-N 3.23Å; D12-V16 WeakPolarHBondContact O-CG2 3.37Å; D12-V16 PolarHBondContact O-N 2.96Å
13Q69.9Low68.1Low67 Ų6789 Ų8931%0.31346%0.461SS..Hα-helixtrans-64.2-38.9175.1-73.6-164.41.300112.2V9 V10 V16 A17V9-Q13 WeakPolarHBondContact O-CG 3.33Å; V9-Q13 PolarHBondContact O-N 3.39Å; V10-Q13 PolarHBondContact O-N 3.08Å; Q13-V16 PolarHBondContact O-N 3.07Å; Q13-A17 WeakPolarHBondContact O-CB 3.19Å; Q13-A17 PolarHBondContact O-N 2.9Å
14C67.6Low69.5Low53 Ų5387.5 Ų87.536%0.35844%0.441SS..Hα-helixtrans-60.3-45.9174.2-169.80000111.1V10 D11 D12 V16 A17 Q18V10-C14 VanDerWaalsContact O-CB 3.3Å; V10-C14 WeakPolarHBondContact O-CB 3.35Å; V10-C14 PolarHBondContact O-N 2.7Å; D11-C14 WeakPolarHBondContact O-CB 3.46Å; D11-C14 PolarHBondContact O-N 3.44Å; D12-C14 VanDerWaalsContact C-N 3.33Å; D12-C14 PolarHBondContact O-N 2.92Å; C14-V16 PolarHBondContact O-N 2.78Å; C14-A17 PolarHBondContact O-N 3.04Å; C14-Q18 VanDerWaalsContact O-CB 3.3Å; C14-Q18 WeakPolarHBondContact O-CB 3.22Å; C14-Q18 PolarHBondContact O-N 3.41Å
15R71.6Confident70.8Confident132 Ų13284.1 Ų84.150%0.49842%0.416SS..Hα-helixtrans-60.8-41.9175.2-77178.983.8-173.67.4112.3D11 D12 R19D11-R15 WeakPolarHBondContact O-CG 2.99Å; D11-R15 PolarHBondContact O-N 3.23Å; D12-R15 PolarHBondContact O-N 3.23Å; R15-R19 WeakPolarHBondContact O-CG 3.41Å; R15-R19 PolarHBondContact O-N 2.99Å
16V72.1Confident72.3Confident70 Ų7079 Ų7942%0.42440%0.395SS..Hα-helixtrans-64.8-47.1177.8172.90000110.9D12 Q13 C14 Q18 R19 R20D12-V16 WeakPolarHBondContact O-CG2 3.37Å; D12-V16 PolarHBondContact O-N 2.96Å; Q13-V16 PolarHBondContact O-N 3.07Å; C14-V16 PolarHBondContact O-N 2.78Å; V16-Q18 VanDerWaalsContact C-N 3.35Å; V16-Q18 PolarHBondContact O-N 3.23Å; V16-R19 PolarHBondContact O-N 3.28Å; V16-R20 WeakPolarHBondContact O-CG 3.45Å; V16-R20 PolarHBondContact O-N 3.32Å
17A68.3Low73.7Confident30 Ų3080.2 Ų80.225%0.24839%0.39CS..Hα-helixtrans-59.8-45.217700000111.4Q13 C14 R19 R20 I21Q13-A17 WeakPolarHBondContact O-CB 3.19Å; Q13-A17 PolarHBondContact O-N 2.9Å; C14-A17 PolarHBondContact O-N 3.04Å; A17-R19 PolarHBondContact O-N 3.12Å; A17-R20 WeakPolarHBondContact O-CB 3.35Å; A17-R20 PolarHBondContact O-N 2.82Å; A17-R20 VanDerWaalsContact O-N 3.14Å; A17-I21 WeakPolarHBondContact O-CG1 3.5Å; A17-I21 PolarHBondContact O-N 3.4Å
18Q72.5Confident74.8Confident44 Ų4477 Ų7721%0.20637%0.367CS..Hα-helixtrans-64.7-39.1179-166.9-178.3-10.200112.6C14 V16 R20 I21 F22 K116 K117C14-Q18 VanDerWaalsContact O-CB 3.3Å; C14-Q18 WeakPolarHBondContact O-CB 3.22Å; C14-Q18 PolarHBondContact O-N 3.41Å; V16-Q18 VanDerWaalsContact C-N 3.35Å; V16-Q18 PolarHBondContact O-N 3.23Å; Q18-R20 VanDerWaalsContact C-N 3.33Å; Q18-R20 PolarHBondContact O-N 3.07Å; Q18-I21 PolarHBondContact O-N 2.91Å; Q18-F22 WeakPolarHBondContact O-CB 3.43Å; Q18-F22 PolarHBondContact O-N 3.49Å; Q18-K116 PolarHBondContact NE2-O 3.28Å; Q18-K117 VanDerWaalsContact NE2-CA 3.34Å; Q18-K117 PolarHBondContact NE2-O 2.87Å
19R74.1Confident75.6Confident150 Ų15075 Ų7557%0.56635%0.352SS*.Hα-helixtrans-61.8-40.9172.5-76.5-177.9-164.9178.46.4111.6R15 V16 A17 F22 R23R15-R19 WeakPolarHBondContact O-CG 3.41Å; R15-R19 PolarHBondContact O-N 2.99Å; V16-R19 PolarHBondContact O-N 3.28Å; A17-R19 PolarHBondContact O-N 3.12Å; R19-F22 PolarHBondContact O-N 3.24Å; R19-R23 WeakPolarHBondContact O-CG 3.48Å; R19-R23 PolarHBondContact O-N 3.25Å
20R75.1Confident76.6Confident154 Ų15477.3 Ų77.358%0.58136%0.361SS*.Hα-helixtrans-63.4-49.8176.5-71.3179.7-175.3-172.50.8111.1V16 A17 Q18 F22 R23 W24V16-R20 WeakPolarHBondContact O-CG 3.45Å; V16-R20 PolarHBondContact O-N 3.32Å; A17-R20 WeakPolarHBondContact O-CB 3.35Å; A17-R20 PolarHBondContact O-N 2.82Å; A17-R20 VanDerWaalsContact O-N 3.14Å; Q18-R20 VanDerWaalsContact C-N 3.33Å; Q18-R20 PolarHBondContact O-N 3.07Å; R20-F22 VanDerWaalsContact C-N 3.31Å; R20-F22 PolarHBondContact O-N 3.3Å; R20-R23 WeakPolarHBondContact O-CB 3.3Å; R20-R23 PolarHBondContact O-N 3.46Å; R20-R23 VanDerWaalsContact O-N 3.16Å; R20-W24 PolarHBondContact O-N 3.01Å
21I73.7Confident77.8Confident27 Ų2774.9 Ų74.914%0.13835%0.347CS..Hα-helixtrans-56.7-47.7177-65.3165.8000110A17 Q18 R23 W24 H25 P115 I223A17-I21 WeakPolarHBondContact O-CG1 3.5Å; A17-I21 PolarHBondContact O-N 3.4Å; Q18-I21 PolarHBondContact O-N 2.91Å; I21-R23 VanDerWaalsContact C-N 3.32Å; I21-R23 PolarHBondContact O-N 3.15Å; I21-W24 PolarHBondContact O-N 3.26Å; I21-W24 VanDerWaalsContact O-N 3.15Å; I21-H25 PolarHBondContact O-CD2 3.32Å; I21-H25 VanDerWaalsContact O-CD2 3.25Å; I21-H25 PolarHBondContact O-N 3.47Å; I21-P115 HydrophobicContact CG2-CG 3.93Å; I21-I223 HydrophobicContact CG1-CG2 4.26Å
22F77Confident78.8Confident97 Ų9769.9 Ų69.943%0.42532%0.32SS..Hα-helixtrans-58.8-40.5178.6-177-94.4000113.2Q18 R19 R20 H25 S26Q18-F22 WeakPolarHBondContact O-CB 3.43Å; Q18-F22 PolarHBondContact O-N 3.49Å; R19-F22 PolarHBondContact O-N 3.24Å; R20-F22 VanDerWaalsContact C-N 3.31Å; R20-F22 PolarHBondContact O-N 3.3Å; F22-H25 PolarHBondContact O-N 3.45Å; F22-S26 WeakPolarHBondContact O-CB 3.4Å; F22-S26 PolarHBondContact O-N 3.03Å; F22-S26 PolarHBondContact O-OG 2.94Å
23R81.7Confident79.7Confident187 Ų18766.1 Ų66.171%0.70631%0.305SS*.Hα-helixtrans-62.4-45.9174.8-75.8178177.4178.7-1.8111.5R19 R20 I21 S26 Y27R19-R23 WeakPolarHBondContact O-CG 3.48Å; R19-R23 PolarHBondContact O-N 3.25Å; R20-R23 WeakPolarHBondContact O-CB 3.3Å; R20-R23 PolarHBondContact O-N 3.46Å; R20-R23 VanDerWaalsContact O-N 3.16Å; I21-R23 VanDerWaalsContact C-N 3.32Å; I21-R23 PolarHBondContact O-N 3.15Å; R23-S26 PolarHBondContact O-N 2.99Å; R23-Y27 WeakPolarHBondContact O-CB 3.14Å; R23-Y27 PolarHBondContact O-N 2.71Å
24W79.5Confident80.8Confident62 Ų6264.8 Ų64.824%0.23531%0.305CS..Hα-helixtrans-61.8-44.2177.2-76.6111.5000112.8R20 I21 S26 Y27 Q28 S214 M221 I223R20-W24 PolarHBondContact O-N 3.01Å; I21-W24 PolarHBondContact O-N 3.26Å; I21-W24 VanDerWaalsContact O-N 3.15Å; W24-S26 VanDerWaalsContact C-N 3.33Å; W24-S26 PolarHBondContact O-N 3.36Å; W24-Y27 HydrophobicContact CE3-CD1 4.41Å; W24-Y27 PolarHBondContact O-N 3.33Å; W24-Q28 WeakPolarHBondContact O-CB 3.45Å; W24-Q28 VanDerWaalsContact O-CG 3.3Å; W24-Q28 WeakPolarHBondContact O-CG 3.47Å; W24-Q28 PolarHBondContact O-N 3.5Å; W24-S214 VanDerWaalsContact CZ3-OG 3.28Å; W24-S214 WeakPolarHBondContact CZ3-OG 3.47Å; W24-M221 HydrophobicContact CH2-CE 4.4Å; W24-M221 HydrophobicContact CZ2-CE 3.91Å; W24-I223 HydrophobicContact CZ2-CD1 4.19Å
25H81.2Confident82Confident12 Ų1262.2 Ų62.26%0.05629%0.288CS..Hα-helixtrans-61.9-41.9175.2-84.9-94.2000112I21 F22 Q28 I29 F110 R218I21-H25 PolarHBondContact O-CD2 3.32Å; I21-H25 VanDerWaalsContact O-CD2 3.25Å; I21-H25 PolarHBondContact O-N 3.47Å; F22-H25 PolarHBondContact O-N 3.45Å; H25-Q28 PolarHBondContact O-N 3.29Å; H25-I29 WeakPolarHBondContact O-CD1 3.3Å; H25-I29 VanDerWaalsContact O-CG1 3.22Å; H25-I29 WeakPolarHBondContact O-CG1 3.35Å; H25-I29 PolarHBondContact O-N 2.91Å; H25-F110 AromaticContact CE1-CD1 3.72Å; H25-F110 AromaticContact ND1-CD1 3.53Å; H25-R218 PolarHBondContact CD2-NH2 2.87Å; H25-R218 PolarHBondContact NE2-NH2 3.34Å
26S84.3Confident83Confident27 Ų2759.1 Ų59.119%0.18928%0.278CS..Hα-helixtrans-64.8-43.1178.4-57.10000111.3F22 R23 W24 I29 L30F22-S26 WeakPolarHBondContact O-CB 3.4Å; F22-S26 PolarHBondContact O-N 3.03Å; F22-S26 PolarHBondContact O-OG 2.94Å; R23-S26 PolarHBondContact O-N 2.99Å; W24-S26 VanDerWaalsContact C-N 3.33Å; W24-S26 PolarHBondContact O-N 3.36Å; S26-I29 PolarHBondContact O-N 2.91Å; S26-L30 WeakPolarHBondContact O-CG 3.48Å; S26-L30 PolarHBondContact O-N 3.05Å
27Y86.8Confident84.1Confident90 Ų9059.4 Ų59.435%0.35328%0.28SS..Hα-helixtrans-59.3-49.2174.3175-99.4000111.8R23 W24 I29 L30 C31 V210 S214R23-Y27 WeakPolarHBondContact O-CB 3.14Å; R23-Y27 PolarHBondContact O-N 2.71Å; W24-Y27 HydrophobicContact CE3-CD1 4.41Å; W24-Y27 PolarHBondContact O-N 3.33Å; Y27-I29 VanDerWaalsContact C-N 3.34Å; Y27-I29 PolarHBondContact O-N 2.88Å; Y27-L30 PolarHBondContact O-N 3.46Å; Y27-L30 VanDerWaalsContact O-N 3.17Å; Y27-C31 PolarHBondContact O-N 3.44Å; Y27-C31 PolarHBondContact O-SG 3.47Å; Y27-C31 VanDerWaalsContact O-SG 3.39Å; Y27-V210 WeakPolarHBondContact OH-CG1 3.07Å; Y27-S214 WeakPolarHBondContact CE1-OG 3.28Å
28Q85.8Confident85.3Confident3 Ų358.8 Ų58.81%0.01427%0.274CS..Hα-helixtrans-58-46178.1-75.3171.2-22.700111.9W24 H25 L30 C31 F32 F110 R218W24-Q28 WeakPolarHBondContact O-CB 3.45Å; W24-Q28 VanDerWaalsContact O-CG 3.3Å; W24-Q28 WeakPolarHBondContact O-CG 3.47Å; W24-Q28 PolarHBondContact O-N 3.5Å; H25-Q28 PolarHBondContact O-N 3.29Å; Q28-L30 VanDerWaalsContact C-N 3.31Å; Q28-L30 PolarHBondContact O-N 2.96Å; Q28-C31 PolarHBondContact O-N 2.96Å; Q28-F32 HydrophobicContact CB-CD2 4.23Å; Q28-F32 HydrophobicContact CB-CE2 4.19Å; Q28-F32 WeakPolarHBondContact O-CB 3.36Å; Q28-F32 WeakPolarHBondContact O-CD2 3.5Å; Q28-F32 PolarHBondContact O-N 3.28Å; Q28-F110 HydrophobicContact CB-CD2 4.35Å; Q28-R218 VanDerWaalsContact CD-NH1 3.29Å; Q28-R218 VanDerWaalsContact NE2-NH1 3.15Å
29I86.9Confident86.2Confident20 Ų2056.7 Ų56.710%0.10326%0.264CS..Hα-helixtrans-60.7-42.3178.5-70.7163.5000111.2H25 S26 Y27 G33 F110 A111 R114H25-I29 WeakPolarHBondContact O-CD1 3.3Å; H25-I29 VanDerWaalsContact O-CG1 3.22Å; H25-I29 WeakPolarHBondContact O-CG1 3.35Å; H25-I29 PolarHBondContact O-N 2.91Å; S26-I29 PolarHBondContact O-N 2.91Å; Y27-I29 VanDerWaalsContact C-N 3.34Å; Y27-I29 PolarHBondContact O-N 2.88Å; I29-G33 PolarHBondContact O-N 2.8Å; I29-F110 HydrophobicContact CD1-CB 4.04Å; I29-F110 HydrophobicContact CG1-CB 3.59Å; I29-A111 HydrophobicContact CD1-CB 4.28Å; I29-R114 HydrophobicContact CD1-CG 4.19Å
30L91.4Very high87Confident128 Ų12852.1 Ų52.167%0.6725%0.253SS*.Hα-helixtrans-64.4-45.4176.4-71.4170.9000111.6S26 Y27 Q28 G33 A34S26-L30 WeakPolarHBondContact O-CG 3.48Å; S26-L30 PolarHBondContact O-N 3.05Å; Y27-L30 PolarHBondContact O-N 3.46Å; Y27-L30 VanDerWaalsContact O-N 3.17Å; Q28-L30 VanDerWaalsContact C-N 3.31Å; Q28-L30 PolarHBondContact O-N 2.96Å; L30-G33 PolarHBondContact O-N 3.09Å; L30-A34 WeakPolarHBondContact O-CB 3.4Å; L30-A34 PolarHBondContact O-N 3.39Å
31C91.2Very high87.8Confident13 Ų1347.5 Ų47.59%0.08824%0.239CC..Hα-helixtrans-63.2-48.4178-67.70000112Y27 Q28 G33 A34 I35 V211Y27-C31 PolarHBondContact O-N 3.44Å; Y27-C31 PolarHBondContact O-SG 3.47Å; Y27-C31 VanDerWaalsContact O-SG 3.39Å; Q28-C31 PolarHBondContact O-N 2.96Å; C31-G33 VanDerWaalsContact C-N 3.32Å; C31-G33 PolarHBondContact O-N 2.94Å; C31-A34 PolarHBondContact O-N 3.23Å; C31-I35 VanDerWaalsContact O-CG1 3.25Å; C31-I35 WeakPolarHBondContact O-CG1 3.46Å; C31-I35 PolarHBondContact O-N 3.44Å; C31-V211 HydrophobicContact CB-CG2 3.5Å
32F91Very high88.6Confident0 Ų046.2 Ų46.20%023%0.232CC..Hα-helixtrans-64.6-36.8177.5-74.5-63.6000112.3Q28 I35 F36 A103 T106 C107 F110 W208 V211Q28-F32 HydrophobicContact CB-CD2 4.23Å; Q28-F32 HydrophobicContact CB-CE2 4.19Å; Q28-F32 WeakPolarHBondContact O-CB 3.36Å; Q28-F32 WeakPolarHBondContact O-CD2 3.5Å; Q28-F32 PolarHBondContact O-N 3.28Å; F32-I35 HydrophobicContact CD1-CD1 4.3Å; F32-I35 PolarHBondContact O-N 2.98Å; F32-F36 WeakPolarHBondContact O-CB 3.44Å; F32-F36 PolarHBondContact O-N 3.46Å; F32-A103 HydrophobicContact CD1-CB 4.47Å; F32-T106 HydrophobicContact CD1-CG2 4.01Å; F32-T106 HydrophobicContact CD2-CG2 3.83Å; F32-T106 HydrophobicContact CE1-CG2 3.63Å; F32-T106 HydrophobicContact CE2-CG2 3.49Å; F32-T106 VanDerWaalsContact CE2-CG2 3.49Å; F32-T106 HydrophobicContact CG-CG2 4.12Å; F32-T106 HydrophobicContact CZ-CG2 3.37Å; F32-C107 HydrophobicContact CB-CB 3.78Å; F32-F110 AromaticContact CD2-CD2 3.96Å; F32-F110 HydrophobicContact CD2-CD2 3.96Å; F32-F110 HydrophobicContact CD2-CE2 4.17Å; F32-F110 AromaticContact CE2-CD2 3.8Å; F32-F110 HydrophobicContact CE2-CD2 3.8Å; F32-F110 AromaticContact CE2-CE2 3.52Å; F32-F110 HydrophobicContact CE2-CE2 3.52Å; F32-F110 HydrophobicContact CZ-CE2 4.28Å; F32-W208 HydrophobicContact CD1-CH2 4.26Å; F32-W208 HydrophobicContact CD1-CZ3 4.46Å; F32-W208 AromaticContact CE1-CH2 3.63Å; F32-W208 HydrophobicContact CE1-CH2 3.63Å; F32-W208 AromaticContact CE1-CZ3 3.6Å; F32-W208 HydrophobicContact CE1-CZ3 3.6Å; F32-W208 HydrophobicContact CZ-CZ3 4.41Å; F32-V211 HydrophobicContact CE1-CG1 3.74Å; F32-V211 HydrophobicContact CE2-CG1 4.11Å; F32-V211 HydrophobicContact CZ-CG1 3.39Å
33G91.7Very high89.1Confident23 Ų2342 Ų4224%0.23722%0.216CC..Hα-helixtrans-61.6-44.1171.800000112.3I29 L30 C31 F36 V37I29-G33 PolarHBondContact O-N 2.8Å; L30-G33 PolarHBondContact O-N 3.09Å; C31-G33 VanDerWaalsContact C-N 3.32Å; C31-G33 PolarHBondContact O-N 2.94Å; G33-F36 WeakPolarHBondContact O-CB 3.46Å; G33-F36 PolarHBondContact O-N 3.05Å; G33-V37 WeakPolarHBondContact O-CG2 2.96Å; G33-V37 PolarHBondContact O-N 3.02Å; G33-V37 VanDerWaalsContact O-N 3.08Å
34A93.9Very high89.5Confident38 Ų3838.5 Ų38.531%0.31421%0.206SC..Hα-helixtrans-65.9-42.317700000112.3L30 C31 F36 V37 C38 L207L30-A34 WeakPolarHBondContact O-CB 3.4Å; L30-A34 PolarHBondContact O-N 3.39Å; C31-A34 PolarHBondContact O-N 3.23Å; A34-F36 VanDerWaalsContact C-N 3.34Å; A34-F36 PolarHBondContact O-N 2.85Å; A34-V37 PolarHBondContact O-N 3.11Å; A34-C38 WeakPolarHBondContact O-CB 3.36Å; A34-C38 PolarHBondContact O-N 3.06Å; A34-C38 PolarHBondContact O-SG 2.81Å; A34-L207 HydrophobicContact CB-CD1 3.84Å
35I92.3Very high89.8Confident0 Ų036.2 Ų36.20%020%0.199CC..Hα-helixtrans-58.7-48.1174.2-69.4165.1000110.1C31 F32 V37 C38 C39 A103 L207 W208 V211C31-I35 VanDerWaalsContact O-CG1 3.25Å; C31-I35 WeakPolarHBondContact O-CG1 3.46Å; C31-I35 PolarHBondContact O-N 3.44Å; F32-I35 HydrophobicContact CD1-CD1 4.3Å; F32-I35 PolarHBondContact O-N 2.98Å; I35-V37 VanDerWaalsContact C-N 3.31Å; I35-V37 PolarHBondContact O-N 3.14Å; I35-C38 PolarHBondContact O-N 3.04Å; I35-C39 WeakPolarHBondContact O-CB 3.49Å; I35-C39 PolarHBondContact O-N 2.89Å; I35-A103 HydrophobicContact CB-CB 4.01Å; I35-A103 HydrophobicContact CG2-CB 3.54Å; I35-L207 HydrophobicContact CD1-CB 4.13Å; I35-L207 HydrophobicContact CG1-CB 3.48Å; I35-L207 VanDerWaalsContact CG1-CB 3.48Å; I35-L207 HydrophobicContact CG1-CD1 4.29Å; I35-W208 HydrophobicContact CD1-CD2 3.97Å; I35-W208 HydrophobicContact CD1-CE3 4.25Å; I35-W208 HydrophobicContact CD1-CG 4.09Å; I35-W208 HydrophobicContact CG2-CD2 4.4Å; I35-W208 HydrophobicContact CG2-CG 4.32Å; I35-W208 HydrophobicContact CG2-CZ2 4.39Å; I35-W208 VanDerWaalsContact CG2-NE1 3.26Å; I35-V211 HydrophobicContact CD1-CB 4.38Å; I35-V211 HydrophobicContact CD1-CG2 3.68Å
36F93.6Very high89.8Confident67 Ų6735.7 Ų35.729%0.29420%0.197SC..Hα-helixtrans-54.8-48.7177.7166.8-112.6000111.2F32 G33 A34 T40 S100 A103 F104F32-F36 WeakPolarHBondContact O-CB 3.44Å; F32-F36 PolarHBondContact O-N 3.46Å; G33-F36 WeakPolarHBondContact O-CB 3.46Å; G33-F36 PolarHBondContact O-N 3.05Å; A34-F36 VanDerWaalsContact C-N 3.34Å; A34-F36 PolarHBondContact O-N 2.85Å; F36-T40 WeakPolarHBondContact CE2-OG1 3.35Å; F36-T40 VanDerWaalsContact O-CB 3.25Å; F36-T40 WeakPolarHBondContact O-CB 3.17Å; F36-T40 PolarHBondContact O-N 2.69Å; F36-T40 PolarHBondContact O-OG1 3.49Å; F36-S100 WeakPolarHBondContact CD2-O 3.48Å; F36-A103 HydrophobicContact CB-CB 4.09Å; F36-F104 HydrophobicContact CD1-CD2 4.46Å; F36-F104 HydrophobicContact CD2-CB 3.78Å; F36-F104 HydrophobicContact CD2-CD2 4.34Å; F36-F104 HydrophobicContact CE1-CD2 4.23Å; F36-F104 HydrophobicContact CE2-CB 4.07Å; F36-F104 HydrophobicContact CE2-CD2 4.11Å; F36-F104 HydrophobicContact CE2-CG 4.41Å; F36-F104 HydrophobicContact CG-CB 4.27Å; F36-F104 HydrophobicContact CG-CD2 4.5Å; F36-F104 HydrophobicContact CZ-CD2 4.05Å
37V94.3Very high89.7Confident75 Ų7536.9 Ų36.946%0.45521%0.205SC..Hα-helixtrans-62.1-47.8178.1173.60000111.2G33 A34 I35 T40 I41G33-V37 WeakPolarHBondContact O-CG2 2.96Å; G33-V37 PolarHBondContact O-N 3.02Å; G33-V37 VanDerWaalsContact O-N 3.08Å; A34-V37 PolarHBondContact O-N 3.11Å; I35-V37 VanDerWaalsContact C-N 3.31Å; I35-V37 PolarHBondContact O-N 3.14Å; V37-T40 PolarHBondContact O-N 3.38Å; V37-I41 HydrophobicContact CG1-CD1 3.7Å; V37-I41 HydrophobicContact CG1-CG1 4.44Å; V37-I41 VanDerWaalsContact O-CG1 3.29Å; V37-I41 WeakPolarHBondContact O-CG1 3.39Å; V37-I41 PolarHBondContact O-N 2.92Å
38C93.6Very high89.2Confident17 Ų1737.7 Ų37.712%0.11521%0.208CC..Hα-helixtrans-61.9-49.9-178.7-65.60000112.1A34 I35 T40 I41 S42A34-C38 WeakPolarHBondContact O-CB 3.36Å; A34-C38 PolarHBondContact O-N 3.06Å; A34-C38 PolarHBondContact O-SG 2.81Å; I35-C38 PolarHBondContact O-N 3.04Å; C38-T40 VanDerWaalsContact C-N 3.33Å; C38-T40 PolarHBondContact O-N 3.48Å; C38-I41 PolarHBondContact O-N 3.45Å; C38-S42 WeakPolarHBondContact O-CB 3.18Å; C38-S42 PolarHBondContact O-N 2.89Å
39C91Very high88.3Confident0 Ų037.8 Ų37.80%021%0.209CC..Hα-helixtrans-65.4-34.9178.3-71.20000112.1I35 S42 A43 E96I35-C39 WeakPolarHBondContact O-CB 3.49Å; I35-C39 PolarHBondContact O-N 2.89Å; C39-S42 PolarHBondContact O-N 2.98Å; C39-A43 VanDerWaalsContact O-CB 3.28Å; C39-A43 WeakPolarHBondContact O-CB 3.34Å; C39-A43 PolarHBondContact O-N 2.75Å; C39-E96 PolarHBondContact SG-OE2 3.15Å
40T91.8Very high87.2Confident55 Ų5538 Ų3834%0.33721%0.21SC..Hα-helixtrans-67.1-44.8176.5-56.40000111.2F36 V37 C38 S42 A43 F44F36-T40 WeakPolarHBondContact CE2-OG1 3.35Å; F36-T40 VanDerWaalsContact O-CB 3.25Å; F36-T40 WeakPolarHBondContact O-CB 3.17Å; F36-T40 PolarHBondContact O-N 2.69Å; F36-T40 PolarHBondContact O-OG1 3.49Å; V37-T40 PolarHBondContact O-N 3.38Å; C38-T40 VanDerWaalsContact C-N 3.33Å; C38-T40 PolarHBondContact O-N 3.48Å; T40-S42 VanDerWaalsContact C-N 3.33Å; T40-A43 PolarHBondContact O-N 3Å; T40-F44 VanDerWaalsContact O-CB 3.32Å; T40-F44 WeakPolarHBondContact O-CB 3.32Å; T40-F44 PolarHBondContact O-N 3.44Å
41I92.1Very high85.6Confident57 Ų5734.2 Ų34.229%0.29219%0.19SC..Hα-helixtrans-63.9-43175.9-65.2167.5000109.8V37 C38 F44 C45 F200V37-I41 HydrophobicContact CG1-CD1 3.7Å; V37-I41 HydrophobicContact CG1-CG1 4.44Å; V37-I41 VanDerWaalsContact O-CG1 3.29Å; V37-I41 WeakPolarHBondContact O-CG1 3.39Å; V37-I41 PolarHBondContact O-N 2.92Å; C38-I41 PolarHBondContact O-N 3.45Å; I41-F44 PolarHBondContact O-N 3.16Å; I41-C45 WeakPolarHBondContact O-CB 3.3Å; I41-C45 PolarHBondContact O-N 3.39Å; I41-C45 PolarHBondContact O-SG 3.04Å; I41-F200 HydrophobicContact CB-CB 4.44Å; I41-F200 HydrophobicContact CB-CD1 4.4Å; I41-F200 HydrophobicContact CB-CD2 4.36Å; I41-F200 HydrophobicContact CB-CG 4.16Å; I41-F200 HydrophobicContact CD1-CD1 4.28Å; I41-F200 HydrophobicContact CD1-CE1 4.06Å; I41-F200 HydrophobicContact CD1-CZ 4.4Å; I41-F200 HydrophobicContact CG2-CB 4.27Å; I41-F200 HydrophobicContact CG2-CD1 4.21Å; I41-F200 HydrophobicContact CG2-CD2 3.41Å; I41-F200 VanDerWaalsContact CG2-CD2 3.41Å; I41-F200 HydrophobicContact CG2-CE1 4.45Å; I41-F200 HydrophobicContact CG2-CE2 3.72Å; I41-F200 HydrophobicContact CG2-CG 3.71Å; I41-F200 HydrophobicContact CG2-CZ 4.23Å
42S89.3Confident83.6Confident0 Ų039.2 Ų39.20%022%0.222CC..Hα-helixtrans-57.7-51.6175.8-1770000111.5C38 C39 T40 F44 C45 L46 E96 S197C38-S42 WeakPolarHBondContact O-CB 3.18Å; C38-S42 PolarHBondContact O-N 2.89Å; C39-S42 PolarHBondContact O-N 2.98Å; T40-S42 VanDerWaalsContact C-N 3.33Å; S42-F44 PolarHBondContact O-N 2.96Å; S42-C45 PolarHBondContact O-N 2.74Å; S42-L46 WeakPolarHBondContact O-CB 3.46Å; S42-L46 PolarHBondContact O-N 3.48Å; S42-E96 PolarHBondContact OG-OE1 2.98Å; S42-S197 PolarHBondContact O-OG 2.82Å; S42-S197 PolarHBondContact OG-O 3.13Å; S42-S197 PolarHBondContact OG-OG 3.35Å
43A88.2Confident81.4Confident9 Ų946.7 Ų46.77%0.07426%0.261CS..Hα-helixtrans-61.3-42.1178.600000112.3C39 T40 L46 S47 L93 E96 V97C39-A43 VanDerWaalsContact O-CB 3.28Å; C39-A43 WeakPolarHBondContact O-CB 3.34Å; C39-A43 PolarHBondContact O-N 2.75Å; T40-A43 PolarHBondContact O-N 3Å; A43-L46 PolarHBondContact O-N 2.83Å; A43-S47 WeakPolarHBondContact O-CB 3.33Å; A43-S47 PolarHBondContact O-N 3.47Å; A43-L93 HydrophobicContact CB-CD1 4.34Å; A43-L93 WeakPolarHBondContact O-CD1 3.36Å; A43-E96 HydrophobicContact CB-CB 4Å; A43-V97 HydrophobicContact CB-CG2 3.97Å
44F88.6Confident79.4Confident112 Ų11251.2 Ų51.249%0.49128%0.276SS..Hα-helixtrans-61.5-51.4175.8-177.5-97.5000110.6T40 I41 S42 L46 S47 Y48T40-F44 VanDerWaalsContact O-CB 3.32Å; T40-F44 WeakPolarHBondContact O-CB 3.32Å; T40-F44 PolarHBondContact O-N 3.44Å; I41-F44 PolarHBondContact O-N 3.16Å; S42-F44 PolarHBondContact O-N 2.96Å; F44-L46 VanDerWaalsContact C-N 3.3Å; F44-L46 PolarHBondContact O-N 2.87Å; F44-S47 WeakPolarHBondContact O-CB 3.47Å; F44-S47 PolarHBondContact O-N 3.36Å; F44-S47 VanDerWaalsContact O-N 3.1Å; F44-S47 PolarHBondContact O-OG 3.42Å; F44-Y48 HydrophobicContact CD1-CD2 4.18Å; F44-Y48 AromaticContact CD1-CE2 3.93Å; F44-Y48 HydrophobicContact CD1-CE2 3.93Å; F44-Y48 HydrophobicContact CD2-CE2 4.05Å; F44-Y48 AromaticContact CE1-CD2 3.98Å; F44-Y48 HydrophobicContact CE1-CD2 3.98Å; F44-Y48 AromaticContact CE1-CE2 3.4Å; F44-Y48 HydrophobicContact CE1-CE2 3.4Å; F44-Y48 AromaticContact CE2-CE2 3.55Å; F44-Y48 HydrophobicContact CE2-CE2 3.55Å; F44-Y48 HydrophobicContact CG-CE2 4.25Å; F44-Y48 HydrophobicContact CZ-CD2 4.22Å; F44-Y48 AromaticContact CZ-CE2 3.21Å; F44-Y48 HydrophobicContact CZ-CE2 3.21Å; F44-Y48 AromaticContact CZ-CZ 3.78Å; F44-Y48 VanDerWaalsContact O-CD2 3.31Å; F44-Y48 WeakPolarHBondContact O-CD2 3.35Å; F44-Y48 PolarHBondContact O-N 3.31Å
45C85.9Confident77.4Confident14 Ų1453.8 Ų53.810%0.09529%0.289CS..Hα-helixtrans-58.8-43.3178.4-66.40000111.9I41 S42 S47 Y48 A49 F193I41-C45 WeakPolarHBondContact O-CB 3.3Å; I41-C45 PolarHBondContact O-N 3.39Å; I41-C45 PolarHBondContact O-SG 3.04Å; S42-C45 PolarHBondContact O-N 2.74Å; C45-S47 VanDerWaalsContact C-N 3.33Å; C45-S47 PolarHBondContact O-N 2.88Å; C45-Y48 PolarHBondContact O-N 3.21Å; C45-A49 PolarHBondContact O-N 3.37Å; C45-F193 HydrophobicContact CB-CD1 4.36Å; C45-F193 VanDerWaalsContact CB-O 3.3Å; C45-F193 WeakPolarHBondContact CB-O 3.28Å
46L82.8Confident76Confident2 Ų255.7 Ų55.71%0.0130%0.299CS..Hα-helixtrans-64.6-37.4177.4-165.267.3000111.4S42 A43 F44 Y48 A49 F50 L59 T92 L93S42-L46 WeakPolarHBondContact O-CB 3.46Å; S42-L46 PolarHBondContact O-N 3.48Å; A43-L46 PolarHBondContact O-N 2.83Å; F44-L46 VanDerWaalsContact C-N 3.3Å; F44-L46 PolarHBondContact O-N 2.87Å; L46-Y48 VanDerWaalsContact C-N 3.26Å; L46-Y48 PolarHBondContact O-N 3.2Å; L46-A49 HydrophobicContact CD1-CB 4.49Å; L46-A49 WeakPolarHBondContact O-CA 3.28Å; L46-A49 WeakPolarHBondContact O-CB 3.47Å; L46-A49 PolarHBondContact O-N 3.49Å; L46-F50 HydrophobicContact CD2-CE2 4.48Å; L46-F50 HydrophobicContact CG-CE2 4.06Å; L46-F50 WeakPolarHBondContact O-CD2 3.36Å; L46-F50 PolarHBondContact O-N 3.44Å; L46-L59 HydrophobicContact CD1-CD1 4.46Å; L46-T92 HydrophobicContact CD2-CG2 3.65Å; L46-L93 HydrophobicContact CB-CD1 4.15Å; L46-L93 HydrophobicContact CD2-CB 3.99Å; L46-L93 HydrophobicContact CD2-CD1 4.21Å; L46-L93 HydrophobicContact CG-CD1 4.42Å
47S82.3Confident74.8Confident51 Ų5152.5 Ų52.536%0.35729%0.285SS..Hα-helixtrans-60.9-31.4177.575.30000113.5A43 F44 C45 A49 F50A43-S47 WeakPolarHBondContact O-CB 3.33Å; A43-S47 PolarHBondContact O-N 3.47Å; F44-S47 WeakPolarHBondContact O-CB 3.47Å; F44-S47 PolarHBondContact O-N 3.36Å; F44-S47 VanDerWaalsContact O-N 3.1Å; F44-S47 PolarHBondContact O-OG 3.42Å; C45-S47 VanDerWaalsContact C-N 3.33Å; C45-S47 PolarHBondContact O-N 2.88Å; S47-A49 VanDerWaalsContact C-N 3.31Å; S47-F50 PolarHBondContact O-N 3.48Å
48Y75.4Confident73.5Confident108 Ų10849.5 Ų49.542%0.42427%0.267SS..Hα-helixtrans-76.1-19.9172.3-78.2-88.2000113.3F44 C45 L46 F50 F193F44-Y48 HydrophobicContact CD1-CD2 4.18Å; F44-Y48 AromaticContact CD1-CE2 3.93Å; F44-Y48 HydrophobicContact CD1-CE2 3.93Å; F44-Y48 HydrophobicContact CD2-CE2 4.05Å; F44-Y48 AromaticContact CE1-CD2 3.98Å; F44-Y48 HydrophobicContact CE1-CD2 3.98Å; F44-Y48 AromaticContact CE1-CE2 3.4Å; F44-Y48 HydrophobicContact CE1-CE2 3.4Å; F44-Y48 AromaticContact CE2-CE2 3.55Å; F44-Y48 HydrophobicContact CE2-CE2 3.55Å; F44-Y48 HydrophobicContact CG-CE2 4.25Å; F44-Y48 HydrophobicContact CZ-CD2 4.22Å; F44-Y48 AromaticContact CZ-CE2 3.21Å; F44-Y48 HydrophobicContact CZ-CE2 3.21Å; F44-Y48 AromaticContact CZ-CZ 3.78Å; F44-Y48 VanDerWaalsContact O-CD2 3.31Å; F44-Y48 WeakPolarHBondContact O-CD2 3.35Å; F44-Y48 PolarHBondContact O-N 3.31Å; C45-Y48 PolarHBondContact O-N 3.21Å; L46-Y48 VanDerWaalsContact C-N 3.26Å; L46-Y48 PolarHBondContact O-N 3.2Å; Y48-F50 PolarHBondContact O-N 2.95Å; Y48-F193 HydrophobicContact CD2-CE1 4.27Å; Y48-F193 HydrophobicContact CG-CD1 4.42Å; Y48-F193 HydrophobicContact CG-CE1 4.22Å; Y48-F193 HydrophobicContact CG-CZ 4.39Å
49A66.7Low72.3Confident4 Ų448.8 Ų48.83%0.03326%0.262CS..THydrogen-bonded Turntrans-74.6-9.2171.100000112.1C45 L46 S47 L58 Y190 V194C45-A49 PolarHBondContact O-N 3.37Å; L46-A49 HydrophobicContact CD1-CB 4.49Å; L46-A49 WeakPolarHBondContact O-CA 3.28Å; L46-A49 WeakPolarHBondContact O-CB 3.47Å; L46-A49 PolarHBondContact O-N 3.49Å; S47-A49 VanDerWaalsContact C-N 3.31Å; A49-L58 WeakPolarHBondContact O-CB 3.21Å; A49-L58 WeakPolarHBondContact O-CD1 3.33Å; A49-Y190 HydrophobicContact CB-CD2 4.31Å; A49-Y190 HydrophobicContact CB-CE2 3.81Å; A49-V194 HydrophobicContact CB-CG2 3.93Å
50F64.6Low71.4Confident26 Ų2650.8 Ų50.811%0.11427%0.271CS..BIsolated β-bridgetrans-89.3135.2171.5-73.4-98.3000112.3L46 S47 Y48 P52 C89 N90 L93L46-F50 HydrophobicContact CD2-CE2 4.48Å; L46-F50 HydrophobicContact CG-CE2 4.06Å; L46-F50 WeakPolarHBondContact O-CD2 3.36Å; L46-F50 PolarHBondContact O-N 3.44Å; S47-F50 PolarHBondContact O-N 3.48Å; Y48-F50 PolarHBondContact O-N 2.95Å; F50-P52 WeakPolarHBondContact O-CD 3.25Å; F50-C89 HydrophobicContact CE1-CB 3.45Å; F50-C89 VanDerWaalsContact CE1-CB 3.45Å; F50-C89 HydrophobicContact CE2-CB 4.44Å; F50-C89 VanDerWaalsContact CZ-C 3.46Å; F50-C89 HydrophobicContact CZ-CB 3.41Å; F50-C89 VanDerWaalsContact CZ-CB 3.41Å; F50-N90 WeakPolarHBondContact CE1-OD1 3.38Å; F50-L93 HydrophobicContact CD2-CD2 4.24Å; F50-L93 HydrophobicContact CE2-CB 3.93Å; F50-L93 HydrophobicContact CE2-CD1 4.49Å; F50-L93 HydrophobicContact CE2-CD2 3.75Å; F50-L93 HydrophobicContact CE2-CG 4.27Å; F50-L93 HydrophobicContact CZ-CB 4.05Å; F50-L93 HydrophobicContact CZ-CD2 4.12Å
51L57.8Low70.4Confident48 Ų4848.1 Ų48.125%0.25125%0.254SS..  trans-26.7101.9142-15.980.3000116.5L53 L58 W83L51-L53 PolarHBondContact O-N 2.82Å; L51-L58 HydrophobicContact CD1-CD1 3.54Å; L51-L58 HydrophobicContact CD1-CG 4.4Å; L51-W83 HydrophobicContact CD1-CE3 4.35Å; L51-W83 HydrophobicContact CD1-CH2 3.29Å; L51-W83 HydrophobicContact CD1-CZ2 4.46Å; L51-W83 HydrophobicContact CD1-CZ3 3.18Å
52P49.3Very low69.5Low118 Ų11848.2 Ų48.277%0.76626%0.257SS*.THydrogen-bonded Turntrans-58.9-13.316519.8-31.7000114.1F50F50-P52 WeakPolarHBondContact O-CD 3.25Å
53L44.3Very low68.5Low157 Ų15749.3 Ų49.382%0.82226%0.262SS*.THydrogen-bonded Turntrans-113.5-4.8-173.3-86.3102.5000116.9L51L51-L53 PolarHBondContact O-N 2.82Å
54Q49.7Very low67.7Low118 Ų11851.8 Ų51.855%0.55127%0.274SS*.SBendtrans-150.5155.9-177.6-102.4167.3-38.900112.1D56Q54-D56 HydrophobicContact CB-CB 4.02Å; Q54-D56 VanDerWaalsContact CB-OD2 3.3Å; Q54-D56 WeakPolarHBondContact CB-OD2 3.41Å; Q54-D56 WeakPolarHBondContact CG-OD2 3.49Å; Q54-D56 PolarHBondContact O-N 2.96Å
55P52.7Low66.9Low91 Ų9146.8 Ų46.859%0.59125%0.252SS*.SBendtrans-66.913.3174.132.3-36.5000113.5G86P55-G86 WeakPolarHBondContact O-CA 3.45Å
56D62.2Low66.5Low40 Ų4049.8 Ų49.821%0.21427%0.27CS..  trans-91.8132.9-163.3-66.7-24.5000110.7Q54 W83Q54-D56 HydrophobicContact CB-CB 4.02Å; Q54-D56 VanDerWaalsContact CB-OD2 3.3Å; Q54-D56 WeakPolarHBondContact CB-OD2 3.41Å; Q54-D56 WeakPolarHBondContact CG-OD2 3.49Å; Q54-D56 PolarHBondContact O-N 2.96Å; D56-W83 HydrophobicContact CB-CB 3.73Å; D56-W83 HydrophobicContact CB-CD2 3.88Å; D56-W83 HydrophobicContact CB-CE3 3.99Å; D56-W83 HydrophobicContact CB-CG 3.73Å
57C68Low66.2Low0 Ų051.4 Ų51.40%028%0.28CS..EExtended strand (participates in β ladder)trans-98.5124.4-172.61780000109.5L59 G84 C89C57-L59 VanDerWaalsContact C-N 3.31Å; C57-L59 WeakPolarHBondContact SG-CB 3.26Å; C57-L59 PolarHBondContact SG-N 2.97Å; C57-L59 PolarHBondContact SG-O 3.15Å; C57-G84 PolarHBondContact O-N 3.45Å; C57-C89 HydrophobicContact CB-CB 3.43Å; C57-C89 VanDerWaalsContact CB-CB 3.43Å; C57-C89 WeakPolarHBondContact CB-SG 3.14Å; C57-C89 WeakPolarHBondContact SG-CB 3.34Å; C57-C89 CovalentContact SG-SG 2Å; C57-C89 PolarHBondContact SG-SG 2.85Å
58L67.2Low66.2Low12 Ų1251.4 Ų51.46%0.06328%0.276CS..EExtended strand (participates in β ladder)trans-74-26.3172.2-109.9149000112.3A49 L51 F60 S61 W63 W83 Y190A49-L58 WeakPolarHBondContact O-CB 3.21Å; A49-L58 WeakPolarHBondContact O-CD1 3.33Å; L51-L58 HydrophobicContact CD1-CD1 3.54Å; L51-L58 HydrophobicContact CD1-CG 4.4Å; L58-F60 PolarHBondContact O-N 2.89Å; L58-S61 WeakPolarHBondContact O-CB 3.11Å; L58-S61 PolarHBondContact O-N 3.26Å; L58-S61 PolarHBondContact O-OG 3.24Å; L58-W63 HydrophobicContact CD2-CH2 3.3Å; L58-W63 HydrophobicContact CD2-CZ2 3.17Å; L58-W63 HydrophobicContact CD2-CZ3 4.47Å; L58-W83 HydrophobicContact CD1-CZ3 3.98Å; L58-W83 HydrophobicContact CD2-CZ3 4.41Å; L58-W83 HydrophobicContact CG-CE3 4.29Å; L58-W83 HydrophobicContact CG-CZ3 3.64Å; L58-Y190 HydrophobicContact CB-CE2 3.64Å; L58-Y190 WeakPolarHBondContact CB-OH 3.41Å; L58-Y190 HydrophobicContact CD1-CD2 4.09Å; L58-Y190 HydrophobicContact CD1-CE2 3.74Å; L58-Y190 HydrophobicContact CD2-CE1 4.39Å; L58-Y190 HydrophobicContact CD2-CE2 3.87Å; L58-Y190 HydrophobicContact CG-CE2 3.93Å
59L68.8Low66.5Low2 Ų252.6 Ų52.61%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-62.3132168.4-12274.5000108.2L46 C57 S61 V153 V194L46-L59 HydrophobicContact CD1-CD1 4.46Å; C57-L59 VanDerWaalsContact C-N 3.31Å; C57-L59 WeakPolarHBondContact SG-CB 3.26Å; C57-L59 PolarHBondContact SG-N 2.97Å; C57-L59 PolarHBondContact SG-O 3.15Å; L59-S61 PolarHBondContact O-N 3.32Å; L59-V153 HydrophobicContact CD2-CB 4.48Å; L59-V153 HydrophobicContact CD2-CG2 4.37Å; L59-V194 HydrophobicContact CD1-CG1 4.49Å
60F72.1Confident67.3Low42 Ų4256.9 Ų56.918%0.18432%0.321CS..EExtended strand (participates in β ladder)trans64.320.7-175-45.1-83.2000114.9L58 G84 H88 T152 W155 G156 D159L58-F60 PolarHBondContact O-N 2.89Å; F60-G84 WeakPolarHBondContact O-CA 3.31Å; F60-H88 HydrophobicContact CE2-CB 4.45Å; F60-T152 HydrophobicContact CE2-CG2 3.99Å; F60-T152 HydrophobicContact CZ-CG2 4.06Å; F60-T152 WeakPolarHBondContact CZ-O 3.35Å; F60-W155 HydrophobicContact CE1-CB 3.83Å; F60-W155 HydrophobicContact CZ-CB 4.04Å; F60-G156 VanDerWaalsContact CZ-N 3.35Å; F60-D159 WeakPolarHBondContact CA-OD2 3.36Å; F60-D159 HydrophobicContact CD1-CB 4.07Å
61S71.2Confident68.2Low0 Ų059.2 Ų59.20%034%0.337CS..EExtended strand (participates in β ladder)trans-77.3139.4170.957.40000110.9L58 L59 W63 D82L58-S61 WeakPolarHBondContact O-CB 3.11Å; L58-S61 PolarHBondContact O-N 3.26Å; L58-S61 PolarHBondContact O-OG 3.24Å; L59-S61 PolarHBondContact O-N 3.32Å; S61-W63 VanDerWaalsContact O-CD1 3.3Å; S61-W63 PolarHBondContact O-NE1 3.25Å; S61-W63 PolarHBondContact OG-NE1 2.93Å; S61-W63 VanDerWaalsContact OG-NE1 3.09Å; S61-D82 VanDerWaalsContact CA-O 3.29Å; S61-D82 WeakPolarHBondContact CA-O 3.48Å
62T72Confident69.3Low58 Ų5862.7 Ų62.736%0.35635%0.35SS..EExtended strand (participates in β ladder)trans-91.7127.1170.262.30000109.2I81 D82T62-I81 WeakPolarHBondContact O-CG2 3.34Å; T62-D82 PolarHBondContact N-O 2.8Å; T62-D82 PolarHBondContact O-N 2.97Å; T62-D82 VanDerWaalsContact OG1-CB 3.3Å; T62-D82 WeakPolarHBondContact OG1-CB 3.46Å
63W69.4Low70.8Confident23 Ų2357.1 Ų57.19%0.08731%0.314CS..PPolyproline II helixtrans-93.6125.4-172.3-63.872.3000110.1L58 S61 L65 I76 Y78 I81 W160 Y190L58-W63 HydrophobicContact CD2-CH2 3.3Å; L58-W63 HydrophobicContact CD2-CZ2 3.17Å; L58-W63 HydrophobicContact CD2-CZ3 4.47Å; S61-W63 VanDerWaalsContact O-CD1 3.3Å; S61-W63 PolarHBondContact O-NE1 3.25Å; S61-W63 PolarHBondContact OG-NE1 2.93Å; S61-W63 VanDerWaalsContact OG-NE1 3.09Å; W63-L65 HydrophobicContact CB-CD1 3.78Å; W63-L65 HydrophobicContact CB-CG 3.97Å; W63-L65 PolarHBondContact O-N 3.5Å; W63-I76 HydrophobicContact CE3-CD1 4.2Å; W63-I76 HydrophobicContact CE3-CG1 4.47Å; W63-I76 HydrophobicContact CE3-CG2 3.74Å; W63-I76 HydrophobicContact CZ3-CD1 3.97Å; W63-I76 HydrophobicContact CZ3-CG2 3.82Å; W63-Y78 HydrophobicContact CH2-CE1 4.42Å; W63-Y78 HydrophobicContact CZ3-CE1 4.03Å; W63-I81 HydrophobicContact CD2-CD1 4.4Å; W63-I81 HydrophobicContact CE3-CD1 3.82Å; W63-I81 HydrophobicContact CZ3-CD1 3.94Å; W63-W160 AromaticContact CD1-CD1 3.92Å; W63-W160 AromaticContact CE2-CD1 3.36Å; W63-W160 AromaticContact CE2-NE1 3.06Å; W63-W160 AromaticContact CH2-NE1 3.89Å; W63-W160 AromaticContact CZ2-CD1 3.44Å; W63-W160 VanDerWaalsContact CZ2-CD1 3.44Å; W63-W160 AromaticContact CZ2-NE1 2.93Å; W63-W160 AromaticContact NE1-CD1 2.95Å; W63-W160 AromaticContact NE1-CG 3.97Å; W63-W160 AromaticContact NE1-NE1 3.18Å; W63-W160 VanDerWaalsContact NE1-NE1 3.18Å; W63-Y190 HydrophobicContact CZ2-CE1 4.48Å
64N70.3Confident72.4Confident62 Ų6249.7 Ų49.733%0.33228%0.275SS..  trans-92.695.9166.6-164.5-9.1000109N77 Q80N64-N77 PolarHBondContact O-N 3.03Å; N64-Q80 HydrophobicContact CB-CB 4.3Å; N64-Q80 PolarHBondContact ND2-OE1 2.91Å; N64-Q80 VanDerWaalsContact ND2-OE1 3.15Å
65L73Confident73.7Confident6 Ų648.2 Ų48.23%0.03127%0.265CS..EExtended strand (participates in β ladder)trans-100.6132.5-178.1-67.5146000108.9W63 I74 I76 I164 E167 F173W63-L65 HydrophobicContact CB-CD1 3.78Å; W63-L65 HydrophobicContact CB-CG 3.97Å; W63-L65 PolarHBondContact O-N 3.5Å; L65-I74 HydrophobicContact CD2-CG2 3.62Å; L65-I76 HydrophobicContact CD2-CD1 4.36Å; L65-I76 HydrophobicContact CD2-CG1 3.62Å; L65-I164 HydrophobicContact CD1-CG1 4.18Å; L65-E167 HydrophobicContact CB-CB 4.34Å; L65-E167 HydrophobicContact CB-CG 4.26Å; L65-E167 HydrophobicContact CD1-CB 4.23Å; L65-E167 HydrophobicContact CD1-CG 4.33Å; L65-F173 HydrophobicContact CD2-CE1 4.4Å
66T76.2Confident74.7Confident78 Ų7844.1 Ų44.148%0.47924%0.238SC..EExtended strand (participates in β ladder)trans-115.7122.6167.651.10000109.3Y75T66-Y75 PolarHBondContact N-O 3.34Å; T66-Y75 PolarHBondContact O-N 2.85Å; T66-Y75 WeakPolarHBondContact OG1-CB 3.48Å; T66-Y75 PolarHBondContact OG1-O 3.25Å
67V76.8Confident75.1Confident35 Ų3544.4 Ų44.421%0.21224%0.24CC..EExtended strand (participates in β ladder)trans-100.3113-177.4-175.50000109H69 I74 L168 Y177V67-H69 PolarHBondContact O-N 2.87Å; V67-I74 HydrophobicContact CG1-CG1 4.48Å; V67-I74 HydrophobicContact CG2-CG1 4.45Å; V67-L168 HydrophobicContact CG2-CD2 3.82Å; V67-L168 HydrophobicContact CG2-CG 4.34Å; V67-Y177 HydrophobicContact CG1-CD1 4.26Å; V67-Y177 HydrophobicContact CG1-CE1 3.65Å
68D82.5Confident75.1Confident52 Ų5246.3 Ų46.328%0.27825%0.247SC..EExtended strand (participates in β ladder)trans-90.6101.2169.5179.8-0.3000109.3A70 T71 K72 S73 Y75D68-A70 VanDerWaalsContact C-N 3.28Å; D68-A70 PolarHBondContact O-N 3.49Å; D68-A70 WeakPolarHBondContact OD1-CB 3.41Å; D68-A70 PolarHBondContact OD1-N 3.41Å; D68-T71 PolarHBondContact OD1-N 3.23Å; D68-T71 WeakPolarHBondContact OD2-CB 3.42Å; D68-T71 VanDerWaalsContact OD2-CG2 3.24Å; D68-T71 WeakPolarHBondContact OD2-CG2 3.45Å; D68-T71 PolarHBondContact OD2-OG1 3.15Å; D68-K72 VanDerWaalsContact O-CA 3.29Å; D68-K72 WeakPolarHBondContact O-CA 3.24Å; D68-K72 PolarHBondContact O-N 2.91Å; D68-S73 PolarHBondContact N-O 3.07Å; D68-S73 PolarHBondContact O-N 3.35Å; D68-Y75 HydrophobicContact CB-CD2 4.39Å; D68-Y75 HydrophobicContact CB-CE2 3.91Å
69H81.2Confident75Confident132 Ų13250.8 Ų50.861%0.61127%0.271SS*.THydrogen-bonded Turntrans-67.8-24.9178.4-66.4-84.4000113.5V67 Y177V67-H69 PolarHBondContact O-N 2.87Å; H69-Y177 PolarHBondContact ND1-OH 2.9Å; H69-Y177 VanDerWaalsContact ND1-OH 3.11Å
70A83.3Confident74.9Confident95 Ų9556.1 Ų56.179%0.78530%0.296SS*.THydrogen-bonded Turntrans-74.5-44.6-178.600000111.1D68D68-A70 VanDerWaalsContact C-N 3.28Å; D68-A70 PolarHBondContact O-N 3.49Å; D68-A70 WeakPolarHBondContact OD1-CB 3.41Å; D68-A70 PolarHBondContact OD1-N 3.41Å
71T84.1Confident74.8Confident75 Ų7554.4 Ų54.446%0.4629%0.289SS..THydrogen-bonded Turntrans-89.9-3.5176.863.80000113.7D68 S73D68-T71 PolarHBondContact OD1-N 3.23Å; D68-T71 WeakPolarHBondContact OD2-CB 3.42Å; D68-T71 VanDerWaalsContact OD2-CG2 3.24Å; D68-T71 WeakPolarHBondContact OD2-CG2 3.45Å; D68-T71 PolarHBondContact OD2-OG1 3.15Å; T71-S73 VanDerWaalsContact C-N 3.26Å; T71-S73 PolarHBondContact O-N 3.28Å; T71-S73 PolarHBondContact OG1-OG 2.84Å
72K81.3Confident74.6Confident121 Ų12160.2 Ų60.253%0.52632%0.32SS..THydrogen-bonded Turntrans49.649.5-170.9-59.5-179.1177.5-176.10111.1D68 Y177 T178D68-K72 VanDerWaalsContact O-CA 3.29Å; D68-K72 WeakPolarHBondContact O-CA 3.24Å; D68-K72 PolarHBondContact O-N 2.91Å; K72-Y177 VanDerWaalsContact C-CD1 3.43Å; K72-Y177 HydrophobicContact CB-CD1 4.14Å; K72-Y177 HydrophobicContact CB-CE1 4.26Å; K72-Y177 HydrophobicContact CB-CG 4.29Å; K72-Y177 CarbonylContact O-C 3.54Å; K72-Y177 WeakPolarHBondContact O-CA 3.26Å; K72-T178 PolarHBondContact O-N 3.19Å
73S80.5Confident74.4Confident0 Ų060.6 Ų60.60%032%0.315CS..EExtended strand (participates in β ladder)trans-126.8142.417762.30000112.2D68 T71 Y75 T178 K180D68-S73 PolarHBondContact N-O 3.07Å; D68-S73 PolarHBondContact O-N 3.35Å; T71-S73 VanDerWaalsContact C-N 3.26Å; T71-S73 PolarHBondContact O-N 3.28Å; T71-S73 PolarHBondContact OG1-OG 2.84Å; S73-Y75 WeakPolarHBondContact OG-CE2 3.12Å; S73-Y75 PolarHBondContact OG-OH 2.92Å; S73-T178 VanDerWaalsContact CA-O 3.27Å; S73-T178 WeakPolarHBondContact CA-O 3.42Å; S73-T178 WeakPolarHBondContact CB-O 3.22Å; S73-T178 WeakPolarHBondContact CB-OG1 3.42Å; S73-K180 PolarHBondContact OG-NZ 2.97Å; S73-K180 VanDerWaalsContact OG-NZ 3.11Å
74I77.7Confident74.2Confident1 Ų159.9 Ų59.91%0.00532%0.315CS..EExtended strand (participates in β ladder)trans-108.9113-179.7-58.8172.8000106L65 V67 L168 F173 P174 Y177 T178 L179 K180L65-I74 HydrophobicContact CD2-CG2 3.62Å; V67-I74 HydrophobicContact CG1-CG1 4.48Å; V67-I74 HydrophobicContact CG2-CG1 4.45Å; I74-L168 HydrophobicContact CD1-CD1 4.11Å; I74-L168 HydrophobicContact CD1-CD2 3.89Å; I74-F173 HydrophobicContact CD1-CB 4.41Å; I74-F173 HydrophobicContact CD1-CD1 3.59Å; I74-F173 HydrophobicContact CD1-CE1 4.35Å; I74-F173 HydrophobicContact CD1-CG 4.42Å; I74-F173 HydrophobicContact CG2-CE1 4.44Å; I74-P174 HydrophobicContact CD1-CG 4.38Å; I74-Y177 HydrophobicContact CD1-CD1 4.19Å; I74-Y177 HydrophobicContact CD1-CG 4.25Å; I74-Y177 HydrophobicContact CG1-CD1 3.81Å; I74-Y177 HydrophobicContact CG1-CG 4.31Å; I74-T178 PolarHBondContact N-O 2.92Å; I74-L179 HydrophobicContact CB-CD1 4.16Å; I74-L179 HydrophobicContact CG2-CD1 4.13Å; I74-K180 PolarHBondContact O-N 2.98Å
75Y76.5Confident74.2Confident87 Ų8765.1 Ų65.134%0.34133%0.331SS..EExtended strand (participates in β ladder)trans-93.7122177.7-63.4-87.5000108.9T66 D68 S73 K180T66-Y75 PolarHBondContact N-O 3.34Å; T66-Y75 PolarHBondContact O-N 2.85Å; T66-Y75 WeakPolarHBondContact OG1-CB 3.48Å; T66-Y75 PolarHBondContact OG1-O 3.25Å; D68-Y75 HydrophobicContact CB-CD2 4.39Å; D68-Y75 HydrophobicContact CB-CE2 3.91Å; S73-Y75 WeakPolarHBondContact OG-CE2 3.12Å; S73-Y75 PolarHBondContact OG-OH 2.92Å; Y75-K180 WeakPolarHBondContact CA-O 3.3Å; Y75-K180 HydrophobicContact CD1-CB 3.67Å; Y75-K180 HydrophobicContact CD1-CD 4.14Å; Y75-K180 HydrophobicContact CE1-CB 3.75Å; Y75-K180 HydrophobicContact CE1-CD 3.35Å; Y75-K180 HydrophobicContact CE1-CG 4.22Å; Y75-K180 HydrophobicContact CG-CB 4.45Å; Y75-K180 PolarHBondContact OH-NZ 3.15Å
76I73.8Confident74Confident5 Ų565.5 Ų65.53%0.02634%0.336CS..EExtended strand (participates in β ladder)trans-98.7117.1171.3-62.4169.9000107.2W63 L65 Y78 I81 L179 K180 S182W63-I76 HydrophobicContact CE3-CD1 4.2Å; W63-I76 HydrophobicContact CE3-CG1 4.47Å; W63-I76 HydrophobicContact CE3-CG2 3.74Å; W63-I76 HydrophobicContact CZ3-CD1 3.97Å; W63-I76 HydrophobicContact CZ3-CG2 3.82Å; L65-I76 HydrophobicContact CD2-CD1 4.36Å; L65-I76 HydrophobicContact CD2-CG1 3.62Å; I76-Y78 HydrophobicContact CB-CD2 4.47Å; I76-Y78 HydrophobicContact CB-CE2 4.01Å; I76-Y78 HydrophobicContact CG2-CD1 4.32Å; I76-Y78 HydrophobicContact CG2-CD2 3.93Å; I76-Y78 HydrophobicContact CG2-CE1 4.1Å; I76-Y78 HydrophobicContact CG2-CE2 3.67Å; I76-Y78 HydrophobicContact CG2-CG 4.25Å; I76-Y78 PolarHBondContact O-N 2.59Å; I76-I81 HydrophobicContact CG2-CD1 3.96Å; I76-L179 HydrophobicContact CD1-CD1 3.79Å; I76-L179 HydrophobicContact CD1-CD2 3.8Å; I76-L179 HydrophobicContact CD1-CG 3.95Å; I76-L179 HydrophobicContact CG1-CD1 4.34Å; I76-K180 PolarHBondContact N-O 3.39Å; I76-S182 WeakPolarHBondContact O-CB 3.39Å; I76-S182 PolarHBondContact O-N 3.32Å; I76-S182 PolarHBondContact O-OG 3.32Å
77N71.8Confident73.9Confident46 Ų4668.2 Ų68.225%0.24635%0.348CS..  trans-92.492174.1-169.34.8000110.6N64 D79 Q80N64-N77 PolarHBondContact O-N 3.03Å; N77-D79 PolarHBondContact O-N 3.47Å; N77-D79 PolarHBondContact OD1-N 2.73Å; N77-Q80 HydrophobicContact CB-CB 4.49Å; N77-Q80 WeakPolarHBondContact ND2-CG 3.4Å; N77-Q80 PolarHBondContact ND2-OE1 3.29Å; N77-Q80 VanDerWaalsContact ND2-OE1 3.08Å; N77-Q80 PolarHBondContact O-N 3.28Å; N77-Q80 VanDerWaalsContact O-N 3.08Å
78Y66.4Low73.9Confident40 Ų4070.7 Ų70.716%0.15736%0.357CS..G310 helixtrans-60.3-25.3-178.5-72.7-84.2000114.1W63 I76 Q80 I81 W83 P181 S182W63-Y78 HydrophobicContact CH2-CE1 4.42Å; W63-Y78 HydrophobicContact CZ3-CE1 4.03Å; I76-Y78 HydrophobicContact CB-CD2 4.47Å; I76-Y78 HydrophobicContact CB-CE2 4.01Å; I76-Y78 HydrophobicContact CG2-CD1 4.32Å; I76-Y78 HydrophobicContact CG2-CD2 3.93Å; I76-Y78 HydrophobicContact CG2-CE1 4.1Å; I76-Y78 HydrophobicContact CG2-CE2 3.67Å; I76-Y78 HydrophobicContact CG2-CG 4.25Å; I76-Y78 PolarHBondContact O-N 2.59Å; Y78-Q80 PolarHBondContact O-N 3.45Å; Y78-I81 HydrophobicContact CD1-CD1 3.52Å; Y78-I81 HydrophobicContact CE1-CD1 4.02Å; Y78-I81 HydrophobicContact CG-CD1 4.13Å; Y78-I81 PolarHBondContact O-N 3.08Å; Y78-W83 HydrophobicContact CD1-CH2 4.15Å; Y78-W83 HydrophobicContact CD1-CZ2 4.45Å; Y78-P181 HydrophobicContact CD2-CB 4.48Å; Y78-P181 HydrophobicContact CE2-CB 3.62Å; Y78-S182 PolarHBondContact N-OG 2.86Å
79D66Low73.6Confident107 Ų10768.5 Ų68.557%0.57235%0.345SS*.G310 helixtrans-72.9-14.2179.2-62.6-45.6000113.1N77 W183N77-D79 PolarHBondContact O-N 3.47Å; N77-D79 PolarHBondContact OD1-N 2.73Å; D79-W183 WeakPolarHBondContact OD1-CZ2 3.36Å; D79-W183 PolarHBondContact OD1-NE1 2.7Å; D79-W183 PolarHBondContact OD2-NE1 3.45Å
80Q67.6Low73.6Confident113 Ų11364.4 Ų64.453%0.52833%0.328SS..G310 helixtrans-119.115.9-178.6-67.4-177.9-18.100112.8N64 N77 Y78N64-Q80 HydrophobicContact CB-CB 4.3Å; N64-Q80 PolarHBondContact ND2-OE1 2.91Å; N64-Q80 VanDerWaalsContact ND2-OE1 3.15Å; N77-Q80 HydrophobicContact CB-CB 4.49Å; N77-Q80 WeakPolarHBondContact ND2-CG 3.4Å; N77-Q80 PolarHBondContact ND2-OE1 3.29Å; N77-Q80 VanDerWaalsContact ND2-OE1 3.08Å; N77-Q80 PolarHBondContact O-N 3.28Å; N77-Q80 VanDerWaalsContact O-N 3.08Å; Y78-Q80 PolarHBondContact O-N 3.45Å
81I68.4Low73.6Confident6 Ų664.8 Ų64.83%0.03132%0.317CS..  trans-79.3126.6171.8-68.5179.5000107.6T62 W63 I76 Y78 W83T62-I81 WeakPolarHBondContact O-CG2 3.34Å; W63-I81 HydrophobicContact CD2-CD1 4.4Å; W63-I81 HydrophobicContact CE3-CD1 3.82Å; W63-I81 HydrophobicContact CZ3-CD1 3.94Å; I76-I81 HydrophobicContact CG2-CD1 3.96Å; Y78-I81 HydrophobicContact CD1-CD1 3.52Å; Y78-I81 HydrophobicContact CE1-CD1 4.02Å; Y78-I81 HydrophobicContact CG-CD1 4.13Å; Y78-I81 PolarHBondContact O-N 3.08Å; I81-W83 HydrophobicContact CB-CZ2 4.39Å; I81-W83 HydrophobicContact CG2-CD2 4.17Å; I81-W83 HydrophobicContact CG2-CG 4.45Å; I81-W83 HydrophobicContact CG2-CZ2 4.5Å; I81-W83 PolarHBondContact O-N 3.33Å; I81-W83 VanDerWaalsContact O-N 3.16Å; I81-W83 PolarHBondContact O-NE1 2.99Å
82D67.4Low73.5Confident123 Ų12361.3 Ų61.366%0.65830%0.295SS*.EExtended strand (participates in β ladder)trans-77.4104.9164.8-60.8-44.8000107.4S61 T62S61-D82 VanDerWaalsContact CA-O 3.29Å; S61-D82 WeakPolarHBondContact CA-O 3.48Å; T62-D82 PolarHBondContact N-O 2.8Å; T62-D82 PolarHBondContact O-N 2.97Å; T62-D82 VanDerWaalsContact OG1-CB 3.3Å; T62-D82 WeakPolarHBondContact OG1-CB 3.46Å
83W68.4Low73.7Confident65 Ų6557 Ų5725%0.24628%0.278CS..EExtended strand (participates in β ladder)trans-66.5142.7-179.9-59.587.8000110.9L51 D56 L58 Y78 I81L51-W83 HydrophobicContact CD1-CE3 4.35Å; L51-W83 HydrophobicContact CD1-CH2 3.29Å; L51-W83 HydrophobicContact CD1-CZ2 4.46Å; L51-W83 HydrophobicContact CD1-CZ3 3.18Å; D56-W83 HydrophobicContact CB-CB 3.73Å; D56-W83 HydrophobicContact CB-CD2 3.88Å; D56-W83 HydrophobicContact CB-CE3 3.99Å; D56-W83 HydrophobicContact CB-CG 3.73Å; L58-W83 HydrophobicContact CD1-CZ3 3.98Å; L58-W83 HydrophobicContact CD2-CZ3 4.41Å; L58-W83 HydrophobicContact CG-CE3 4.29Å; L58-W83 HydrophobicContact CG-CZ3 3.64Å; Y78-W83 HydrophobicContact CD1-CH2 4.15Å; Y78-W83 HydrophobicContact CD1-CZ2 4.45Å; I81-W83 HydrophobicContact CB-CZ2 4.39Å; I81-W83 HydrophobicContact CG2-CD2 4.17Å; I81-W83 HydrophobicContact CG2-CG 4.45Å; I81-W83 HydrophobicContact CG2-CZ2 4.5Å; I81-W83 PolarHBondContact O-N 3.33Å; I81-W83 VanDerWaalsContact O-N 3.16Å; I81-W83 PolarHBondContact O-NE1 2.99Å
84G65Low74Confident8 Ų864.5 Ų64.58%0.08231%0.307CS..EExtended strand (participates in β ladder)trans-68169.3177.700000112.3C57 F60 G86C57-G84 PolarHBondContact O-N 3.45Å; F60-G84 WeakPolarHBondContact O-CA 3.31Å; G84-G86 PolarHBondContact O-N 3.36Å
85Y70.3Confident74.4Confident173 Ų17365.1 Ų65.168%0.67831%0.311SS*.  trans-64.1109.8-179.5-58.8-81.6000112N87 H88Y85-N87 PolarHBondContact O-N 3.07Å; Y85-H88 PolarHBondContact O-N 3.41Å
86G68.5Low74.9Confident14 Ų1461.1 Ų61.114%0.14430%0.295CS..Hα-helixtrans-49-34.2177.200000114.4P55 G84 H88 C89 N90P55-G86 WeakPolarHBondContact O-CA 3.45Å; G84-G86 PolarHBondContact O-N 3.36Å; G86-H88 PolarHBondContact O-N 3.46Å; G86-C89 PolarHBondContact O-N 3.02Å; G86-N90 VanDerWaalsContact O-CB 3.28Å; G86-N90 WeakPolarHBondContact O-CB 3.5Å; G86-N90 VanDerWaalsContact O-CG 3.25Å; G86-N90 PolarHBondContact O-N 3.4Å; G86-N90 PolarHBondContact O-ND2 3.42Å
87N74.3Confident75.6Confident134 Ų13463.6 Ų63.672%0.71731%0.311SS*.Hα-helixtrans-61.6-40.3179.2-68.3-16.2000113.2Y85 L91Y85-N87 PolarHBondContact O-N 3.07Å; N87-L91 WeakPolarHBondContact O-CB 3.37Å; N87-L91 PolarHBondContact O-N 3.17Å
88H76.1Confident76.5Confident88 Ų8863.4 Ų63.441%0.40732%0.315SS..Hα-helixtrans-69.3-45-179.2-71.6-52.5000111.4F60 Y85 G86 L91 T92 T152F60-H88 HydrophobicContact CE2-CB 4.45Å; Y85-H88 PolarHBondContact O-N 3.41Å; G86-H88 PolarHBondContact O-N 3.46Å; H88-L91 PolarHBondContact O-N 3.39Å; H88-T92 WeakPolarHBondContact O-CB 3.47Å; H88-T92 PolarHBondContact O-N 3.38Å; H88-T92 PolarHBondContact O-OG1 3.37Å; H88-T152 HydrophobicContact CB-CG2 4.22Å
89C76.7Confident77.5Confident5 Ų561.5 Ų61.53%0.03431%0.308CS..Hα-helixtrans-58.2-54.8174-107.40000111.6F50 C57 G86 L91 T92 L93F50-C89 HydrophobicContact CE1-CB 3.45Å; F50-C89 VanDerWaalsContact CE1-CB 3.45Å; F50-C89 HydrophobicContact CE2-CB 4.44Å; F50-C89 VanDerWaalsContact CZ-C 3.46Å; F50-C89 HydrophobicContact CZ-CB 3.41Å; F50-C89 VanDerWaalsContact CZ-CB 3.41Å; C57-C89 HydrophobicContact CB-CB 3.43Å; C57-C89 VanDerWaalsContact CB-CB 3.43Å; C57-C89 WeakPolarHBondContact CB-SG 3.14Å; C57-C89 WeakPolarHBondContact SG-CB 3.34Å; C57-C89 CovalentContact SG-SG 2Å; C57-C89 PolarHBondContact SG-SG 2.85Å; G86-C89 PolarHBondContact O-N 3.02Å; C89-L91 VanDerWaalsContact C-N 3.31Å; C89-L91 PolarHBondContact O-N 2.91Å; C89-T92 WeakPolarHBondContact O-CB 3.04Å; C89-T92 PolarHBondContact O-N 3.33Å; C89-T92 VanDerWaalsContact O-N 3.08Å; C89-L93 PolarHBondContact O-N 3.12Å
90N82.2Confident78.7Confident46 Ų4656.9 Ų56.925%0.24628%0.284CS..Hα-helixtrans-58.5-45.7-178.9-76.2-24.9000110.8F50 G86 T92 L93 Y94F50-N90 WeakPolarHBondContact CE1-OD1 3.38Å; G86-N90 VanDerWaalsContact O-CB 3.28Å; G86-N90 WeakPolarHBondContact O-CB 3.5Å; G86-N90 VanDerWaalsContact O-CG 3.25Å; G86-N90 PolarHBondContact O-N 3.4Å; G86-N90 PolarHBondContact O-ND2 3.42Å; N90-T92 VanDerWaalsContact C-N 3.3Å; N90-T92 PolarHBondContact O-N 3.37Å; N90-L93 PolarHBondContact O-N 3.32Å; N90-Y94 HydrophobicContact CB-CD2 4.19Å; N90-Y94 HydrophobicContact CB-CE2 3.91Å; N90-Y94 WeakPolarHBondContact O-CB 3.44Å; N90-Y94 WeakPolarHBondContact O-CD2 3.33Å; N90-Y94 VanDerWaalsContact O-CG 3.29Å; N90-Y94 PolarHBondContact O-N 3.25Å
91L81.9Confident79.8Confident104 Ų10456.2 Ų56.255%0.54528%0.284SS..Hα-helixtrans-57.4-44.3175.6-179.166.2000111.7N87 H88 C89 T95N87-L91 WeakPolarHBondContact O-CB 3.37Å; N87-L91 PolarHBondContact O-N 3.17Å; H88-L91 PolarHBondContact O-N 3.39Å; C89-L91 VanDerWaalsContact C-N 3.31Å; C89-L91 PolarHBondContact O-N 2.91Å; L91-T95 WeakPolarHBondContact O-CB 3.35Å; L91-T95 PolarHBondContact O-N 2.9Å; L91-T95 PolarHBondContact O-OG1 3.32Å
92T83.5Confident80.7Confident2 Ų256.5 Ų56.51%0.01229%0.287CS..Hα-helixtrans-63.3-48.6179-570000111L46 H88 C89 N90 T95 E96 A149 V153L46-T92 HydrophobicContact CD2-CG2 3.65Å; H88-T92 WeakPolarHBondContact O-CB 3.47Å; H88-T92 PolarHBondContact O-N 3.38Å; H88-T92 PolarHBondContact O-OG1 3.37Å; C89-T92 WeakPolarHBondContact O-CB 3.04Å; C89-T92 PolarHBondContact O-N 3.33Å; C89-T92 VanDerWaalsContact O-N 3.08Å; N90-T92 VanDerWaalsContact C-N 3.3Å; N90-T92 PolarHBondContact O-N 3.37Å; T92-T95 WeakPolarHBondContact O-CB 3.22Å; T92-T95 PolarHBondContact O-N 2.97Å; T92-E96 PolarHBondContact O-N 2.88Å; T92-A149 HydrophobicContact CG2-CB 4.09Å; T92-V153 HydrophobicContact CG2-CG2 3.42Å; T92-V153 VanDerWaalsContact CG2-CG2 3.42Å
93L84.8Confident81.7Confident31 Ų3150.7 Ų50.716%0.16226%0.256CS..Hα-helixtrans-61.4-49178.2-177.666.8000111.6A43 L46 F50 C89 N90 T95 E96 V97A43-L93 HydrophobicContact CB-CD1 4.34Å; A43-L93 WeakPolarHBondContact O-CD1 3.36Å; L46-L93 HydrophobicContact CB-CD1 4.15Å; L46-L93 HydrophobicContact CD2-CB 3.99Å; L46-L93 HydrophobicContact CD2-CD1 4.21Å; L46-L93 HydrophobicContact CG-CD1 4.42Å; F50-L93 HydrophobicContact CD2-CD2 4.24Å; F50-L93 HydrophobicContact CE2-CB 3.93Å; F50-L93 HydrophobicContact CE2-CD1 4.49Å; F50-L93 HydrophobicContact CE2-CD2 3.75Å; F50-L93 HydrophobicContact CE2-CG 4.27Å; F50-L93 HydrophobicContact CZ-CB 4.05Å; F50-L93 HydrophobicContact CZ-CD2 4.12Å; C89-L93 PolarHBondContact O-N 3.12Å; N90-L93 PolarHBondContact O-N 3.32Å; L93-T95 VanDerWaalsContact C-N 3.25Å; L93-T95 PolarHBondContact O-N 3.42Å; L93-E96 PolarHBondContact O-N 2.95Å; L93-V97 WeakPolarHBondContact O-CG2 3.46Å; L93-V97 PolarHBondContact O-N 3.4Å
94Y86.2Confident82.7Confident156 Ų15651.3 Ų51.361%0.61226%0.261SS*.Hα-helixtrans-62.5-35.7177.9-69.9-48.5000112.2N90 A98N90-Y94 HydrophobicContact CB-CD2 4.19Å; N90-Y94 HydrophobicContact CB-CE2 3.91Å; N90-Y94 WeakPolarHBondContact O-CB 3.44Å; N90-Y94 WeakPolarHBondContact O-CD2 3.33Å; N90-Y94 VanDerWaalsContact O-CG 3.29Å; N90-Y94 PolarHBondContact O-N 3.25Å; Y94-A98 WeakPolarHBondContact O-CB 3.25Å; Y94-A98 PolarHBondContact O-N 3.22Å
95T86.9Confident83.8Confident15 Ų1556.8 Ų56.89%0.09229%0.285CS..Hα-helixtrans-63.3-47.5175.8-66.30000111.5L91 T92 L93 A98 A99 V145 V146 A149L91-T95 WeakPolarHBondContact O-CB 3.35Å; L91-T95 PolarHBondContact O-N 2.9Å; L91-T95 PolarHBondContact O-OG1 3.32Å; T92-T95 WeakPolarHBondContact O-CB 3.22Å; T92-T95 PolarHBondContact O-N 2.97Å; L93-T95 VanDerWaalsContact C-N 3.25Å; L93-T95 PolarHBondContact O-N 3.42Å; T95-A98 PolarHBondContact O-N 2.94Å; T95-A99 VanDerWaalsContact O-CB 3.32Å; T95-A99 WeakPolarHBondContact O-CB 3.42Å; T95-A99 PolarHBondContact O-N 2.91Å; T95-V145 HydrophobicContact CG2-CG1 3.56Å; T95-V146 HydrophobicContact CG2-CG2 4.49Å; T95-A149 HydrophobicContact CG2-CB 3.58Å
96E86.9Confident84.5Confident2 Ų249.5 Ų49.51%0.00926%0.259CS..Hα-helixtrans-64.5-41.1178.4-74.3-79.1-15400111.8C39 S42 A43 T92 L93 A99 S100C39-E96 PolarHBondContact SG-OE2 3.15Å; S42-E96 PolarHBondContact OG-OE1 2.98Å; A43-E96 HydrophobicContact CB-CB 4Å; T92-E96 PolarHBondContact O-N 2.88Å; L93-E96 PolarHBondContact O-N 2.95Å; E96-A99 PolarHBondContact O-N 3.21Å; E96-S100 WeakPolarHBondContact O-CB 3.45Å; E96-S100 PolarHBondContact O-N 3.48Å
97V88.7Confident85.3Confident58 Ų5849.9 Ų49.935%0.35226%0.26SS..Hα-helixtrans-61.1-48173173.60000110.5A43 L93 A99 S100 L101A43-V97 HydrophobicContact CB-CG2 3.97Å; L93-V97 WeakPolarHBondContact O-CG2 3.46Å; L93-V97 PolarHBondContact O-N 3.4Å; V97-A99 VanDerWaalsContact C-N 3.33Å; V97-A99 PolarHBondContact O-N 3.46Å; V97-S100 PolarHBondContact O-N 3.36Å; V97-S100 PolarHBondContact O-OG 2.08Å; V97-L101 HydrophobicContact CG1-CD1 4.21Å; V97-L101 WeakPolarHBondContact O-CG 3.41Å; V97-L101 PolarHBondContact O-N 3.05Å
98A90.2Very high85.7Confident41 Ų4149.1 Ų49.134%0.33925%0.247SC..Hα-helixtrans-62-40.9178.500000112Y94 T95 L101 A102 F142Y94-A98 WeakPolarHBondContact O-CB 3.25Å; Y94-A98 PolarHBondContact O-N 3.22Å; T95-A98 PolarHBondContact O-N 2.94Å; A98-L101 PolarHBondContact O-N 3.48Å; A98-A102 WeakPolarHBondContact O-CB 3.4Å; A98-A102 PolarHBondContact O-N 2.86Å; A98-F142 HydrophobicContact CB-CE1 4.19Å
99A88.7Confident85.9Confident0 Ų048.3 Ų48.30%024%0.242CC..Hα-helixtrans-64.3-41.6176.500000111.9T95 E96 V97 A102 A103 F142 V146T95-A99 VanDerWaalsContact O-CB 3.32Å; T95-A99 WeakPolarHBondContact O-CB 3.42Å; T95-A99 PolarHBondContact O-N 2.91Å; E96-A99 PolarHBondContact O-N 3.21Å; V97-A99 VanDerWaalsContact C-N 3.33Å; V97-A99 PolarHBondContact O-N 3.46Å; A99-A102 PolarHBondContact O-N 2.96Å; A99-A103 WeakPolarHBondContact O-CB 3.42Å; A99-A103 PolarHBondContact O-N 3.27Å; A99-F142 HydrophobicContact CB-CD1 4.21Å; A99-V146 HydrophobicContact CB-CG2 3.37Å
100S89.5Confident86Confident11 Ų1148.1 Ų48.18%0.07724%0.241CC..Hα-helixtrans-61.2-46.3174.977.40000111.3F36 E96 V97 A102 A103 F104F36-S100 WeakPolarHBondContact CD2-O 3.48Å; E96-S100 WeakPolarHBondContact O-CB 3.45Å; E96-S100 PolarHBondContact O-N 3.48Å; V97-S100 PolarHBondContact O-N 3.36Å; V97-S100 PolarHBondContact O-OG 2.08Å; S100-A102 PolarHBondContact O-N 3.45Å; S100-A103 PolarHBondContact O-N 2.98Å; S100-F104 WeakPolarHBondContact O-CB 3.25Å; S100-F104 PolarHBondContact O-N 3.08Å
101L90.4Very high85.7Confident98 Ų9847.9 Ų47.951%0.51325%0.245SC..Hα-helixtrans-64-43177.6-70.4174.2000111.4V97 A98 A103 F104 M105V97-L101 HydrophobicContact CG1-CD1 4.21Å; V97-L101 WeakPolarHBondContact O-CG 3.41Å; V97-L101 PolarHBondContact O-N 3.05Å; A98-L101 PolarHBondContact O-N 3.48Å; L101-A103 VanDerWaalsContact C-N 3.35Å; L101-A103 PolarHBondContact O-N 3.26Å; L101-F104 PolarHBondContact O-N 3.46Å; L101-M105 WeakPolarHBondContact O-CB 3.24Å; L101-M105 VanDerWaalsContact O-CG 3.23Å; L101-M105 WeakPolarHBondContact O-CG 3.32Å; L101-M105 PolarHBondContact O-N 3.02Å
102A89.1Confident85.5Confident13 Ų1350.1 Ų50.111%0.10725%0.25CS..Hα-helixtrans-61.4-44176.700000111.7A98 A99 S100 M105 T106 F142A98-A102 WeakPolarHBondContact O-CB 3.4Å; A98-A102 PolarHBondContact O-N 2.86Å; A99-A102 PolarHBondContact O-N 2.96Å; S100-A102 PolarHBondContact O-N 3.45Å; A102-M105 PolarHBondContact O-N 2.69Å; A102-T106 VanDerWaalsContact O-CB 3.27Å; A102-T106 WeakPolarHBondContact O-CB 3.34Å; A102-T106 PolarHBondContact O-N 3.35Å; A102-T106 PolarHBondContact O-OG1 3.44Å; A102-F142 HydrophobicContact CB-CD1 4.15Å; A102-F142 HydrophobicContact CB-CD2 3.92Å; A102-F142 HydrophobicContact CB-CE1 3.78Å; A102-F142 HydrophobicContact CB-CE2 3.53Å; A102-F142 HydrophobicContact CB-CG 4.23Å; A102-F142 HydrophobicContact CB-CZ 3.46Å; A102-F142 VanDerWaalsContact CB-CZ 3.46Å
103A88Confident84.9Confident0 Ų055.9 Ų55.90%028%0.276CS..Hα-helixtrans-63.7-43.7176.200000111.7F32 I35 F36 A99 S100 L101 T106 C107 W208F32-A103 HydrophobicContact CD1-CB 4.47Å; I35-A103 HydrophobicContact CB-CB 4.01Å; I35-A103 HydrophobicContact CG2-CB 3.54Å; F36-A103 HydrophobicContact CB-CB 4.09Å; A99-A103 WeakPolarHBondContact O-CB 3.42Å; A99-A103 PolarHBondContact O-N 3.27Å; S100-A103 PolarHBondContact O-N 2.98Å; L101-A103 VanDerWaalsContact C-N 3.35Å; L101-A103 PolarHBondContact O-N 3.26Å; A103-T106 PolarHBondContact O-N 3.48Å; A103-C107 VanDerWaalsContact O-CB 3.23Å; A103-C107 WeakPolarHBondContact O-CB 3.21Å; A103-C107 PolarHBondContact O-N 2.93Å; A103-W208 HydrophobicContact CB-CZ2 4.42Å
104F89.2Confident83.9Confident78 Ų7859.1 Ų59.134%0.34229%0.286SS..Hα-helixtrans-59.4-52.7175.5179.3-98.1000111.8F36 S100 L101 T106 C107 W108F36-F104 HydrophobicContact CD1-CD2 4.46Å; F36-F104 HydrophobicContact CD2-CB 3.78Å; F36-F104 HydrophobicContact CD2-CD2 4.34Å; F36-F104 HydrophobicContact CE1-CD2 4.23Å; F36-F104 HydrophobicContact CE2-CB 4.07Å; F36-F104 HydrophobicContact CE2-CD2 4.11Å; F36-F104 HydrophobicContact CE2-CG 4.41Å; F36-F104 HydrophobicContact CG-CB 4.27Å; F36-F104 HydrophobicContact CG-CD2 4.5Å; F36-F104 HydrophobicContact CZ-CD2 4.05Å; S100-F104 WeakPolarHBondContact O-CB 3.25Å; S100-F104 PolarHBondContact O-N 3.08Å; L101-F104 PolarHBondContact O-N 3.46Å; F104-T106 VanDerWaalsContact C-N 3.3Å; F104-T106 PolarHBondContact O-N 3.27Å; F104-C107 WeakPolarHBondContact O-CB 3.35Å; F104-C107 PolarHBondContact O-N 2.95Å; F104-W108 AromaticContact CD1-CD1 3.74Å; F104-W108 AromaticContact CD2-CD1 3.81Å; F104-W108 AromaticContact CD2-NE1 3.72Å; F104-W108 AromaticContact CE1-CD1 3.47Å; F104-W108 VanDerWaalsContact CE1-CD1 3.47Å; F104-W108 AromaticContact CE1-NE1 3.54Å; F104-W108 AromaticContact CE2-CD1 3.57Å; F104-W108 AromaticContact CE2-NE1 3.03Å; F104-W108 AromaticContact CG-CD1 3.91Å; F104-W108 AromaticContact CZ-CD1 3.4Å; F104-W108 VanDerWaalsContact CZ-CD1 3.4Å; F104-W108 AromaticContact CZ-CE2 3.99Å; F104-W108 AromaticContact CZ-NE1 2.94Å; F104-W108 VanDerWaalsContact O-CD1 3.26Å; F104-W108 PolarHBondContact O-N 3.19Å
105M88Confident82.7Confident123 Ų12354 Ų5461%0.60627%0.272SS*.Hα-helixtrans-60.8-41.2-179.8-69-60.1-71.700111.5L101 A102 W108 F109L101-M105 WeakPolarHBondContact O-CB 3.24Å; L101-M105 VanDerWaalsContact O-CG 3.23Å; L101-M105 WeakPolarHBondContact O-CG 3.32Å; L101-M105 PolarHBondContact O-N 3.02Å; A102-M105 PolarHBondContact O-N 2.69Å; M105-W108 PolarHBondContact O-N 2.89Å; M105-F109 VanDerWaalsContact O-CB 3.24Å; M105-F109 WeakPolarHBondContact O-CB 3.27Å; M105-F109 PolarHBondContact O-N 2.86Å
106T85.7Confident81.4Confident20 Ų2062.2 Ų62.212%0.12331%0.306CS..Hα-helixtrans-68.7-40.7178.7-53.30000111.7F32 A102 A103 F104 F109 F110 T135F32-T106 HydrophobicContact CD1-CG2 4.01Å; F32-T106 HydrophobicContact CD2-CG2 3.83Å; F32-T106 HydrophobicContact CE1-CG2 3.63Å; F32-T106 HydrophobicContact CE2-CG2 3.49Å; F32-T106 VanDerWaalsContact CE2-CG2 3.49Å; F32-T106 HydrophobicContact CG-CG2 4.12Å; F32-T106 HydrophobicContact CZ-CG2 3.37Å; A102-T106 VanDerWaalsContact O-CB 3.27Å; A102-T106 WeakPolarHBondContact O-CB 3.34Å; A102-T106 PolarHBondContact O-N 3.35Å; A102-T106 PolarHBondContact O-OG1 3.44Å; A103-T106 PolarHBondContact O-N 3.48Å; F104-T106 VanDerWaalsContact C-N 3.3Å; F104-T106 PolarHBondContact O-N 3.27Å; T106-F109 PolarHBondContact O-N 3.31Å; T106-F110 HydrophobicContact CG2-CD2 3.75Å; T106-F110 HydrophobicContact CG2-CE2 3.51Å; T106-F110 WeakPolarHBondContact O-CD2 3.47Å; T106-F110 PolarHBondContact O-N 3.44Å; T106-T135 HydrophobicContact CG2-CG2 4.42Å
107C85.5Confident79.9Confident23 Ų2371.3 Ų71.316%0.15535%0.345CS..Hα-helixtrans-56.9-51.5173.6-178.50000111.3F32 A103 F104 F109 F110 A111F32-C107 HydrophobicContact CB-CB 3.78Å; A103-C107 VanDerWaalsContact O-CB 3.23Å; A103-C107 WeakPolarHBondContact O-CB 3.21Å; A103-C107 PolarHBondContact O-N 2.93Å; F104-C107 WeakPolarHBondContact O-CB 3.35Å; F104-C107 PolarHBondContact O-N 2.95Å; C107-F109 VanDerWaalsContact C-N 3.33Å; C107-F109 PolarHBondContact O-N 3.25Å; C107-F110 PolarHBondContact O-N 3.4Å; C107-A111 WeakPolarHBondContact O-CB 3.33Å; C107-A111 PolarHBondContact O-N 2.9Å
108W80.8Confident78.1Confident118 Ų11874.8 Ų74.845%0.44736%0.361SS..Hα-helixtrans-61.9-42.3178.6-86.5103.7000112.5F104 M105 F110 A111 F112F104-W108 AromaticContact CD1-CD1 3.74Å; F104-W108 AromaticContact CD2-CD1 3.81Å; F104-W108 AromaticContact CD2-NE1 3.72Å; F104-W108 AromaticContact CE1-CD1 3.47Å; F104-W108 VanDerWaalsContact CE1-CD1 3.47Å; F104-W108 AromaticContact CE1-NE1 3.54Å; F104-W108 AromaticContact CE2-CD1 3.57Å; F104-W108 AromaticContact CE2-NE1 3.03Å; F104-W108 AromaticContact CG-CD1 3.91Å; F104-W108 AromaticContact CZ-CD1 3.4Å; F104-W108 VanDerWaalsContact CZ-CD1 3.4Å; F104-W108 AromaticContact CZ-CE2 3.99Å; F104-W108 AromaticContact CZ-NE1 2.94Å; F104-W108 VanDerWaalsContact O-CD1 3.26Å; F104-W108 PolarHBondContact O-N 3.19Å; M105-W108 PolarHBondContact O-N 2.89Å; W108-F110 PolarHBondContact O-N 2.88Å; W108-A111 WeakPolarHBondContact O-CB 3.36Å; W108-A111 PolarHBondContact O-N 3.45Å; W108-A111 VanDerWaalsContact O-N 3.12Å; W108-F112 HydrophobicContact CB-CD2 4.39Å; W108-F112 HydrophobicContact CB-CE2 4.31Å; W108-F112 HydrophobicContact CD2-CE2 4.06Å; W108-F112 AromaticContact CE3-CD2 3.92Å; W108-F112 HydrophobicContact CE3-CD2 3.92Å; W108-F112 HydrophobicContact CE3-CE1 4.32Å; W108-F112 AromaticContact CE3-CE2 3.16Å; W108-F112 HydrophobicContact CE3-CE2 3.16Å; W108-F112 AromaticContact CE3-CZ 3.4Å; W108-F112 HydrophobicContact CE3-CZ 3.4Å; W108-F112 HydrophobicContact CZ3-CE1 4.18Å; W108-F112 AromaticContact CZ3-CE2 3.72Å; W108-F112 HydrophobicContact CZ3-CE2 3.72Å; W108-F112 AromaticContact CZ3-CZ 3.39Å; W108-F112 HydrophobicContact CZ3-CZ 3.39Å; W108-F112 WeakPolarHBondContact O-CD2 3.3Å; W108-F112 PolarHBondContact O-N 3.26Å
109F81.4Confident76.1Confident70 Ų7077.1 Ų77.131%0.30737%0.372SS..Hα-helixtrans-58.4-49175.8-178.1-104.5000111.3M105 T106 C107 A111 F112 F113 L131 T135M105-F109 VanDerWaalsContact O-CB 3.24Å; M105-F109 WeakPolarHBondContact O-CB 3.27Å; M105-F109 PolarHBondContact O-N 2.86Å; T106-F109 PolarHBondContact O-N 3.31Å; C107-F109 VanDerWaalsContact C-N 3.33Å; C107-F109 PolarHBondContact O-N 3.25Å; F109-A111 VanDerWaalsContact C-N 3.28Å; F109-A111 PolarHBondContact O-N 3.4Å; F109-F112 PolarHBondContact O-N 3.39Å; F109-F113 HydrophobicContact CD1-CD2 4.49Å; F109-F113 AromaticContact CD2-CD2 3.47Å; F109-F113 HydrophobicContact CD2-CD2 3.47Å; F109-F113 VanDerWaalsContact CD2-CD2 3.47Å; F109-F113 AromaticContact CD2-CE2 3.4Å; F109-F113 HydrophobicContact CD2-CE2 3.4Å; F109-F113 AromaticContact CE2-CD2 3.5Å; F109-F113 HydrophobicContact CE2-CD2 3.5Å; F109-F113 AromaticContact CE2-CE2 3.3Å; F109-F113 HydrophobicContact CE2-CE2 3.3Å; F109-F113 HydrophobicContact CE2-CZ 4.14Å; F109-F113 HydrophobicContact CG-CD2 4.01Å; F109-F113 HydrophobicContact CG-CE2 4.36Å; F109-F113 HydrophobicContact CZ-CD2 4.11Å; F109-F113 HydrophobicContact CZ-CE2 4.23Å; F109-F113 WeakPolarHBondContact O-CB 3.5Å; F109-F113 VanDerWaalsContact O-CD2 3.25Å; F109-F113 WeakPolarHBondContact O-CD2 3.26Å; F109-F113 PolarHBondContact O-N 2.91Å; F109-L131 HydrophobicContact CD1-CD2 4.18Å; F109-L131 HydrophobicContact CE1-CD1 3.95Å; F109-L131 HydrophobicContact CE1-CD2 3.22Å; F109-L131 HydrophobicContact CE1-CG 3.41Å; F109-L131 VanDerWaalsContact CE1-CG 3.41Å; F109-L131 HydrophobicContact CZ-CD1 3.51Å; F109-L131 HydrophobicContact CZ-CD2 3.62Å; F109-L131 HydrophobicContact CZ-CG 3.56Å; F109-T135 HydrophobicContact CE1-CG2 4.48Å
110F79Confident73.9Confident2 Ų288.2 Ų88.21%0.00941%0.414CS..Hα-helixtrans-64.8-30.8174.8-77.6-64.1000113.6H25 Q28 I29 F32 T106 C107 W108 R114 T135H25-F110 AromaticContact CE1-CD1 3.72Å; H25-F110 AromaticContact ND1-CD1 3.53Å; Q28-F110 HydrophobicContact CB-CD2 4.35Å; I29-F110 HydrophobicContact CD1-CB 4.04Å; I29-F110 HydrophobicContact CG1-CB 3.59Å; F32-F110 AromaticContact CD2-CD2 3.96Å; F32-F110 HydrophobicContact CD2-CD2 3.96Å; F32-F110 HydrophobicContact CD2-CE2 4.17Å; F32-F110 AromaticContact CE2-CD2 3.8Å; F32-F110 HydrophobicContact CE2-CD2 3.8Å; F32-F110 AromaticContact CE2-CE2 3.52Å; F32-F110 HydrophobicContact CE2-CE2 3.52Å; F32-F110 HydrophobicContact CZ-CE2 4.28Å; T106-F110 HydrophobicContact CG2-CD2 3.75Å; T106-F110 HydrophobicContact CG2-CE2 3.51Å; T106-F110 WeakPolarHBondContact O-CD2 3.47Å; T106-F110 PolarHBondContact O-N 3.44Å; C107-F110 PolarHBondContact O-N 3.4Å; W108-F110 PolarHBondContact O-N 2.88Å; F110-R114 VanDerWaalsContact O-CG 3.25Å; F110-R114 WeakPolarHBondContact O-CG 3.22Å; F110-R114 PolarHBondContact O-N 2.89Å; F110-T135 HydrophobicContact CE2-CG2 4.27Å; F110-T135 HydrophobicContact CZ-CG2 4.12Å
111A75.7Confident71.7Confident40 Ų4098.7 Ų98.733%0.33145%0.452SS..Hα-helixtrans-68.1-44.8176.400000112.3I29 C107 W108 F109 R114I29-A111 HydrophobicContact CD1-CB 4.28Å; C107-A111 WeakPolarHBondContact O-CB 3.33Å; C107-A111 PolarHBondContact O-N 2.9Å; W108-A111 WeakPolarHBondContact O-CB 3.36Å; W108-A111 PolarHBondContact O-N 3.45Å; W108-A111 VanDerWaalsContact O-N 3.12Å; F109-A111 VanDerWaalsContact C-N 3.28Å; F109-A111 PolarHBondContact O-N 3.4Å; A111-R114 WeakPolarHBondContact O-CG 3.4Å
112F76.7Confident69.5Low151 Ų151100.7 Ų100.766%0.66247%0.468SS*.Hα-helixtrans-73.2-37.5178.9-73.4-59.5000113W108 F109 R114W108-F112 HydrophobicContact CB-CD2 4.39Å; W108-F112 HydrophobicContact CB-CE2 4.31Å; W108-F112 HydrophobicContact CD2-CE2 4.06Å; W108-F112 AromaticContact CE3-CD2 3.92Å; W108-F112 HydrophobicContact CE3-CD2 3.92Å; W108-F112 HydrophobicContact CE3-CE1 4.32Å; W108-F112 AromaticContact CE3-CE2 3.16Å; W108-F112 HydrophobicContact CE3-CE2 3.16Å; W108-F112 AromaticContact CE3-CZ 3.4Å; W108-F112 HydrophobicContact CE3-CZ 3.4Å; W108-F112 HydrophobicContact CZ3-CE1 4.18Å; W108-F112 AromaticContact CZ3-CE2 3.72Å; W108-F112 HydrophobicContact CZ3-CE2 3.72Å; W108-F112 AromaticContact CZ3-CZ 3.39Å; W108-F112 HydrophobicContact CZ3-CZ 3.39Å; W108-F112 WeakPolarHBondContact O-CD2 3.3Å; W108-F112 PolarHBondContact O-N 3.26Å; F109-F112 PolarHBondContact O-N 3.39Å; F112-R114 VanDerWaalsContact C-N 3.26Å; F112-R114 PolarHBondContact O-N 3.47Å
113F71.8Confident67.1Low124 Ų124110.9 Ų110.954%0.54450%0.504SS..THydrogen-bonded Turntrans-89.320179.3-68.8-80.3000113.3F109F109-F113 HydrophobicContact CD1-CD2 4.49Å; F109-F113 AromaticContact CD2-CD2 3.47Å; F109-F113 HydrophobicContact CD2-CD2 3.47Å; F109-F113 VanDerWaalsContact CD2-CD2 3.47Å; F109-F113 AromaticContact CD2-CE2 3.4Å; F109-F113 HydrophobicContact CD2-CE2 3.4Å; F109-F113 AromaticContact CE2-CD2 3.5Å; F109-F113 HydrophobicContact CE2-CD2 3.5Å; F109-F113 AromaticContact CE2-CE2 3.3Å; F109-F113 HydrophobicContact CE2-CE2 3.3Å; F109-F113 HydrophobicContact CE2-CZ 4.14Å; F109-F113 HydrophobicContact CG-CD2 4.01Å; F109-F113 HydrophobicContact CG-CE2 4.36Å; F109-F113 HydrophobicContact CZ-CD2 4.11Å; F109-F113 HydrophobicContact CZ-CE2 4.23Å; F109-F113 WeakPolarHBondContact O-CB 3.5Å; F109-F113 VanDerWaalsContact O-CD2 3.25Å; F109-F113 WeakPolarHBondContact O-CD2 3.26Å; F109-F113 PolarHBondContact O-N 2.91Å
114R64.6Low64.8Low98 Ų98114.8 Ų114.837%0.3753%0.532SS..PPolyproline II helixtrans-57.9130.6172.3-78.7-169.2-176.4-173.71.6109.8I29 F110 A111 F112 K116I29-R114 HydrophobicContact CD1-CG 4.19Å; F110-R114 VanDerWaalsContact O-CG 3.25Å; F110-R114 WeakPolarHBondContact O-CG 3.22Å; F110-R114 PolarHBondContact O-N 2.89Å; A111-R114 WeakPolarHBondContact O-CG 3.4Å; F112-R114 VanDerWaalsContact C-N 3.26Å; F112-R114 PolarHBondContact O-N 3.47Å; R114-K116 PolarHBondContact O-N 3.31Å
115P60.4Low62.4Low49 Ų49116.1 Ų116.132%0.31854%0.542SS..PPolyproline II helixtrans-60.5116.1176.122.7-31000109.4I21I21-P115 HydrophobicContact CG2-CG 3.93Å
116K58.7Low60.3Low187 Ų187113.9 Ų113.981%0.81354%0.538SS*.PPolyproline II helixtrans-58.1145.6172.4-75.1-177.3177.5177.60109Q18 R114 I118Q18-K116 PolarHBondContact NE2-O 3.28Å; R114-K116 PolarHBondContact O-N 3.31Å; K116-I118 PolarHBondContact O-N 3.42Å
117K55.8Low58.5Low193 Ų193117.1 Ų117.184%0.83956%0.559SS**SBendtrans-52.2-13.8-172.4-83.5-178.1176.7176.90115.5Q18Q18-K117 VanDerWaalsContact NE2-CA 3.34Å; Q18-K117 PolarHBondContact NE2-O 2.87Å
118I50Low56.9Low131 Ų131117.7 Ų117.767%0.67257%0.565SS**  trans-140.8107.3-178.3-53.1171.1000108.8K116 R120K116-I118 PolarHBondContact O-N 3.42Å; I118-R120 PolarHBondContact O-N 2.86Å
119P48.6Very low55.4Low90 Ų90113 Ų11358%0.58455%0.55SS*.  trans-71.294.9166.622.1-19.1000108.5R121P119-R121 PolarHBondContact O-N 2.91Å; P119-R121 VanDerWaalsContact O-N 3.09Å
120R43.2Very low54.4Low234 Ų234113.6 Ų113.688%0.88356%0.559SS**  trans-65.6108.4164.4-86.3-176.5169.3173-2.7107.2I118I118-R120 PolarHBondContact O-N 2.86Å
121R43.5Very low53.8Low231 Ų231115.6 Ų115.687%0.87257%0.57SS**SBendtrans85.4114.9171.8-71.3177.7165163.4-4.2118P119 R123P119-R121 PolarHBondContact O-N 2.91Å; P119-R121 VanDerWaalsContact O-N 3.09Å; R121-R123 PolarHBondContact O-N 2.98Å
122T43.1Very low53.6Low139 Ų139113.8 Ų113.885%0.85356%0.555SS**THydrogen-bonded Turntrans-58.478.8161.3340000112.8
123R38.5Very low53.7Low228 Ų228110 Ų11086%0.8654%0.541SS*.THydrogen-bonded Turntrans-154.1-2.4160.4-119.7176.7-170.2-173.62.5118.6R121 N125R121-R123 PolarHBondContact O-N 2.98Å; R123-N125 PolarHBondContact O-N 3.45Å
124S39.9Very low54.1Low82 Ų82107.3 Ų107.357%0.57354%0.536SS*.  trans-83.586.3171.8-175.50000109.8T127S124-T127 WeakPolarHBondContact OG-CG2 3.25Å; S124-T127 PolarHBondContact OG-OG1 3.47Å
125N40.1Very low54.9Low106 Ų106103.4 Ų103.457%0.56752%0.523SS*.  trans-62.7130.7157.7-69.2-18.9000106.9R123 K227R123-N125 PolarHBondContact O-N 3.45Å; N125-K227 WeakPolarHBondContact OD1-CD 3.29Å; N125-K227 WeakPolarHBondContact OD1-CE 3.27Å; N125-K227 PolarHBondContact OD1-NZ 3.06Å
126S42.6Very low56.1Low75 Ų75101.9 Ų101.952%0.52451%0.512SS..SBendtrans82.226.3158.5-157.90000120.1T130S126-T130 VanDerWaalsContact O-CG2 3.3Å; S126-T130 WeakPolarHBondContact O-CG2 3.45Å; S126-T130 PolarHBondContact O-OG1 3.25Å
127T48.2Very low57.4Low89 Ų8997.6 Ų97.655%0.54650%0.497SS..SBendtrans-89-31.3172.534.40000114.7S124 T130S124-T127 WeakPolarHBondContact OG-CG2 3.25Å; S124-T127 PolarHBondContact OG-OG1 3.47Å; T127-T130 WeakPolarHBondContact CA-OG1 3.44Å; T127-T130 PolarHBondContact O-OG1 3.37Å
128A51.7Low58.9Low35 Ų3591.7 Ų91.729%0.28948%0.477SS..SBendtrans-77.6-43.2-176.200000112.7T130 L131 V132 D224A128-T130 PolarHBondContact O-N 2.93Å; A128-L131 WeakPolarHBondContact O-CB 3.31Å; A128-L131 PolarHBondContact O-N 2.9Å; A128-V132 PolarHBondContact O-N 3.38Å; A128-D224 HydrophobicContact CB-CB 3.62Å
129S49.9Very low60.7Low19 Ų1985.5 Ų85.513%0.13345%0.446CS..Hα-helixtrans-73.4-25.8179.6-168.30000114.2L131 F225S129-L131 PolarHBondContact O-N 3.47Å; S129-F225 WeakPolarHBondContact OG-CE2 3.48Å; S129-F225 WeakPolarHBondContact OG-CZ 3.28Å
130T60.4Low62.7Low82 Ų8286.8 Ų86.850%0.50344%0.442SS..Hα-helixtrans-65.9-17173.336.60000111.8S126 T127 A128 P134S126-T130 VanDerWaalsContact O-CG2 3.3Å; S126-T130 WeakPolarHBondContact O-CG2 3.45Å; S126-T130 PolarHBondContact O-OG1 3.25Å; T127-T130 WeakPolarHBondContact CA-OG1 3.44Å; T127-T130 PolarHBondContact O-OG1 3.37Å; A128-T130 PolarHBondContact O-N 2.93Å; T130-P134 WeakPolarHBondContact O-CD 3.33Å; T130-P134 VanDerWaalsContact O-CG 3.26Å; T130-P134 WeakPolarHBondContact O-CG 3.34Å
131L66.6Low64.9Low44 Ų4479.2 Ų79.223%0.2342%0.422CS..Hα-helixtrans-93-38.1180-129.478.6000113.8F109 A128 S129 T135F109-L131 HydrophobicContact CD1-CD2 4.18Å; F109-L131 HydrophobicContact CE1-CD1 3.95Å; F109-L131 HydrophobicContact CE1-CD2 3.22Å; F109-L131 HydrophobicContact CE1-CG 3.41Å; F109-L131 VanDerWaalsContact CE1-CG 3.41Å; F109-L131 HydrophobicContact CZ-CD1 3.51Å; F109-L131 HydrophobicContact CZ-CD2 3.62Å; F109-L131 HydrophobicContact CZ-CG 3.56Å; A128-L131 WeakPolarHBondContact O-CB 3.31Å; A128-L131 PolarHBondContact O-N 2.9Å; S129-L131 PolarHBondContact O-N 3.47Å; L131-T135 WeakPolarHBondContact O-CG2 3.4Å; L131-T135 PolarHBondContact O-N 2.86Å; L131-T135 PolarHBondContact O-OG1 3.33Å
132V71.8Confident67.1Low2 Ų270.6 Ų70.61%0.01239%0.391CS..Hα-helixtrans-69.9-40.4-173.9175.70000111.8A128 T135 L136 L215 W219 D224A128-V132 PolarHBondContact O-N 3.38Å; V132-T135 WeakPolarHBondContact CA-OG1 3.46Å; V132-T135 PolarHBondContact O-N 3.31Å; V132-T135 PolarHBondContact O-OG1 2.94Å; V132-L136 WeakPolarHBondContact O-CB 3.14Å; V132-L136 PolarHBondContact O-N 3.5Å; V132-L215 HydrophobicContact CG1-CD2 4.17Å; V132-W219 HydrophobicContact CG1-CB 4.24Å; V132-D224 VanDerWaalsContact CG2-OD2 3.25Å; V132-D224 WeakPolarHBondContact CG2-OD2 3.47Å
133L77.4Confident69.3Low71 Ų7164.3 Ų64.337%0.37235%0.353SS..Hα-helixtrans-66.6-48.1-176.8-175.370.9000112.5T135 L136 I137 W219L133-T135 VanDerWaalsContact C-N 3.35Å; L133-T135 PolarHBondContact O-N 2.86Å; L133-L136 PolarHBondContact O-N 3.46Å; L133-I137 HydrophobicContact CD1-CD1 4.42Å; L133-I137 HydrophobicContact CG-CD1 4.06Å; L133-I137 VanDerWaalsContact O-CG1 3.31Å; L133-I137 WeakPolarHBondContact O-CG1 3.25Å; L133-I137 PolarHBondContact O-N 3.49Å; L133-W219 HydrophobicContact CD1-CZ2 4.11Å
134P80.6Confident71.8Confident68 Ų6857.3 Ų57.344%0.44233%0.332SS..Hα-helixtrans-61.6-41.9174.9-24.234.7000112.8T130 L136 I137 V138T130-P134 WeakPolarHBondContact O-CD 3.33Å; T130-P134 VanDerWaalsContact O-CG 3.26Å; T130-P134 WeakPolarHBondContact O-CG 3.34Å; P134-L136 VanDerWaalsContact C-N 3.34Å; P134-L136 PolarHBondContact O-N 2.8Å; P134-I137 PolarHBondContact O-N 3.5Å; P134-V138 WeakPolarHBondContact O-CG2 3.23Å; P134-V138 PolarHBondContact O-N 2.93Å
135T82.1Confident74.1Confident17 Ų1756 Ų5610%0.10432%0.32CS..Hα-helixtrans-64.1-39.4177.145.60000111.6T106 F109 F110 L131 V132 L133 S139T106-T135 HydrophobicContact CG2-CG2 4.42Å; F109-T135 HydrophobicContact CE1-CG2 4.48Å; F110-T135 HydrophobicContact CE2-CG2 4.27Å; F110-T135 HydrophobicContact CZ-CG2 4.12Å; L131-T135 WeakPolarHBondContact O-CG2 3.4Å; L131-T135 PolarHBondContact O-N 2.86Å; L131-T135 PolarHBondContact O-OG1 3.33Å; V132-T135 WeakPolarHBondContact CA-OG1 3.46Å; V132-T135 PolarHBondContact O-N 3.31Å; V132-T135 PolarHBondContact O-OG1 2.94Å; L133-T135 VanDerWaalsContact C-N 3.35Å; L133-T135 PolarHBondContact O-N 2.86Å; T135-S139 WeakPolarHBondContact O-CB 3.37Å; T135-S139 PolarHBondContact O-N 3.27Å; T135-S139 PolarHBondContact O-OG 2.97Å
136L84.9Confident76.4Confident17 Ų1751 Ų519%0.08929%0.293CS..Hα-helixtrans-61.3-47.3174176.366.8000111.9V132 L133 P134 S139 F140 V212 L215 S216 W219V132-L136 WeakPolarHBondContact O-CB 3.14Å; V132-L136 PolarHBondContact O-N 3.5Å; L133-L136 PolarHBondContact O-N 3.46Å; P134-L136 VanDerWaalsContact C-N 3.34Å; P134-L136 PolarHBondContact O-N 2.8Å; L136-S139 PolarHBondContact O-N 2.96Å; L136-F140 WeakPolarHBondContact O-CB 3.23Å; L136-F140 PolarHBondContact O-N 3.17Å; L136-V212 HydrophobicContact CD1-CG1 4.29Å; L136-L215 HydrophobicContact CB-CB 4.2Å; L136-L215 HydrophobicContact CD1-CB 3.54Å; L136-L215 HydrophobicContact CG-CB 4.42Å; L136-S216 WeakPolarHBondContact CD1-OG 3.34Å; L136-W219 HydrophobicContact CD2-CE3 4.26Å
137I87Confident78.7Confident97 Ų9748.6 Ų48.650%0.49728%0.276SS..Hα-helixtrans-61.2-49.9-179.8-67.5164.7000110.3L133 P134 S139 F140 V141L133-I137 HydrophobicContact CD1-CD1 4.42Å; L133-I137 HydrophobicContact CG-CD1 4.06Å; L133-I137 VanDerWaalsContact O-CG1 3.31Å; L133-I137 WeakPolarHBondContact O-CG1 3.25Å; L133-I137 PolarHBondContact O-N 3.49Å; P134-I137 PolarHBondContact O-N 3.5Å; I137-S139 VanDerWaalsContact C-N 3.33Å; I137-S139 PolarHBondContact O-N 3.46Å; I137-F140 PolarHBondContact O-N 2.9Å; I137-V141 WeakPolarHBondContact O-CG2 3.16Å; I137-V141 PolarHBondContact O-N 3.34Å; I137-V141 VanDerWaalsContact O-N 3.08Å
138V87.4Confident80.6Confident69 Ų6948.9 Ų48.942%0.41827%0.274SS..Hα-helixtrans-60.7-45.7177.9173.20000110.3P134 F140 V141 F142P134-V138 WeakPolarHBondContact O-CG2 3.23Å; P134-V138 PolarHBondContact O-N 2.93Å; V138-F140 VanDerWaalsContact C-N 3.29Å; V138-F140 PolarHBondContact O-N 3.29Å; V138-V141 PolarHBondContact O-N 3.5Å; V138-F142 HydrophobicContact CG1-CD2 3.61Å; V138-F142 HydrophobicContact CG1-CE2 3.67Å; V138-F142 VanDerWaalsContact O-CD2 3.3Å; V138-F142 WeakPolarHBondContact O-CD2 3.41Å; V138-F142 PolarHBondContact O-N 3.08Å
139S88.1Confident82.3Confident1 Ų147.3 Ų47.31%0.00726%0.261CS..Hα-helixtrans-59.4-39.4178-61.50000112.6T135 L136 I137 F142 A143 W208 L215T135-S139 WeakPolarHBondContact O-CB 3.37Å; T135-S139 PolarHBondContact O-N 3.27Å; T135-S139 PolarHBondContact O-OG 2.97Å; L136-S139 PolarHBondContact O-N 2.96Å; I137-S139 VanDerWaalsContact C-N 3.33Å; I137-S139 PolarHBondContact O-N 3.46Å; S139-F142 PolarHBondContact O-N 2.84Å; S139-A143 WeakPolarHBondContact O-CB 3.45Å; S139-A143 PolarHBondContact O-N 2.83Å; S139-W208 VanDerWaalsContact CA-CZ3 3.44Å; S139-W208 WeakPolarHBondContact OG-CZ3 3.49Å; S139-L215 WeakPolarHBondContact OG-CD1 3.02Å
140F89.6Confident84.1Confident116 Ų11649.5 Ų49.551%0.50927%0.266SS..Hα-helixtrans-66.4-44.7178.4-178.3-102.5000111.7L136 I137 V138 A143 I144 V212L136-F140 WeakPolarHBondContact O-CB 3.23Å; L136-F140 PolarHBondContact O-N 3.17Å; I137-F140 PolarHBondContact O-N 2.9Å; V138-F140 VanDerWaalsContact C-N 3.29Å; V138-F140 PolarHBondContact O-N 3.29Å; F140-A143 PolarHBondContact O-N 3.39Å; F140-I144 HydrophobicContact CD1-CD1 3.87Å; F140-I144 HydrophobicContact CE1-CD1 3.37Å; F140-I144 HydrophobicContact CE1-CG1 4.45Å; F140-I144 HydrophobicContact CE2-CD1 4.41Å; F140-I144 HydrophobicContact CZ-CD1 3.69Å; F140-I144 HydrophobicContact CZ-CG1 4.47Å; F140-I144 WeakPolarHBondContact O-CG1 3.12Å; F140-I144 PolarHBondContact O-N 3.26Å; F140-I144 VanDerWaalsContact O-N 3.08Å; F140-V212 HydrophobicContact CD2-CG1 4.03Å
141V89.7Confident85.4Confident76 Ų7648.8 Ų48.846%0.46126%0.259SS..Hα-helixtrans-60.7-47.6175.3175.10000110.4I137 V138 A143 I144 V145I137-V141 WeakPolarHBondContact O-CG2 3.16Å; I137-V141 PolarHBondContact O-N 3.34Å; I137-V141 VanDerWaalsContact O-N 3.08Å; V138-V141 PolarHBondContact O-N 3.5Å; V141-A143 VanDerWaalsContact C-N 3.34Å; V141-A143 PolarHBondContact O-N 3.02Å; V141-I144 PolarHBondContact O-N 2.96Å; V141-V145 HydrophobicContact CG1-CG2 4.27Å; V141-V145 WeakPolarHBondContact O-CB 3.33Å; V141-V145 VanDerWaalsContact O-CG2 3.26Å; V141-V145 WeakPolarHBondContact O-CG2 3.23Å; V141-V145 PolarHBondContact O-N 2.86Å
142F89.6Confident86.2Confident49 Ų4947.8 Ų47.822%0.21526%0.255CS..Hα-helixtrans-63.3-38.5177.6-86-75.5000112.6A98 A99 A102 V138 S139 I144 V145 V146 W208A98-F142 HydrophobicContact CB-CE1 4.19Å; A99-F142 HydrophobicContact CB-CD1 4.21Å; A102-F142 HydrophobicContact CB-CD1 4.15Å; A102-F142 HydrophobicContact CB-CD2 3.92Å; A102-F142 HydrophobicContact CB-CE1 3.78Å; A102-F142 HydrophobicContact CB-CE2 3.53Å; A102-F142 HydrophobicContact CB-CG 4.23Å; A102-F142 HydrophobicContact CB-CZ 3.46Å; A102-F142 VanDerWaalsContact CB-CZ 3.46Å; V138-F142 HydrophobicContact CG1-CD2 3.61Å; V138-F142 HydrophobicContact CG1-CE2 3.67Å; V138-F142 VanDerWaalsContact O-CD2 3.3Å; V138-F142 WeakPolarHBondContact O-CD2 3.41Å; V138-F142 PolarHBondContact O-N 3.08Å; S139-F142 PolarHBondContact O-N 2.84Å; F142-I144 PolarHBondContact O-N 2.79Å; F142-V145 PolarHBondContact O-N 3.22Å; F142-V146 VanDerWaalsContact O-CB 3.25Å; F142-V146 WeakPolarHBondContact O-CB 3.39Å; F142-V146 WeakPolarHBondContact O-CG2 3.49Å; F142-V146 PolarHBondContact O-N 3.37Å; F142-W208 HydrophobicContact CB-CD2 4.46Å; F142-W208 HydrophobicContact CB-CH2 4.16Å; F142-W208 HydrophobicContact CB-CZ2 3.86Å; F142-W208 HydrophobicContact CG-CZ2 4.31Å
143A89.7Confident86.8Confident8 Ų847.8 Ų47.87%0.06625%0.254CS..Hα-helixtrans-59.4-46.6175.300000111.5S139 F140 V141 C147 W208 V212S139-A143 WeakPolarHBondContact O-CB 3.45Å; S139-A143 PolarHBondContact O-N 2.83Å; F140-A143 PolarHBondContact O-N 3.39Å; V141-A143 VanDerWaalsContact C-N 3.34Å; V141-A143 PolarHBondContact O-N 3.02Å; A143-C147 WeakPolarHBondContact O-CB 3.2Å; A143-C147 PolarHBondContact O-N 3.44Å; A143-C147 PolarHBondContact O-SG 2.87Å; A143-W208 HydrophobicContact CB-CB 4.17Å; A143-V212 HydrophobicContact CB-CG2 3.94Å
144I90.8Very high87.2Confident80 Ų8047.1 Ų47.141%0.4125%0.251SS..Hα-helixtrans-60.4-51.3176.8-67.2169000110.5F140 V141 F142 V146 C147 I148F140-I144 HydrophobicContact CD1-CD1 3.87Å; F140-I144 HydrophobicContact CE1-CD1 3.37Å; F140-I144 HydrophobicContact CE1-CG1 4.45Å; F140-I144 HydrophobicContact CE2-CD1 4.41Å; F140-I144 HydrophobicContact CZ-CD1 3.69Å; F140-I144 HydrophobicContact CZ-CG1 4.47Å; F140-I144 WeakPolarHBondContact O-CG1 3.12Å; F140-I144 PolarHBondContact O-N 3.26Å; F140-I144 VanDerWaalsContact O-N 3.08Å; V141-I144 PolarHBondContact O-N 2.96Å; F142-I144 PolarHBondContact O-N 2.79Å; I144-V146 PolarHBondContact O-N 2.96Å; I144-C147 PolarHBondContact O-N 2.88Å; I144-I148 HydrophobicContact CG2-CD1 3.79Å; I144-I148 HydrophobicContact CG2-CG1 4.45Å; I144-I148 WeakPolarHBondContact O-CG1 3.49Å; I144-I148 PolarHBondContact O-N 3.25Å
145V88Confident87.4Confident55 Ų5551.8 Ų51.833%0.33326%0.26SS..Hα-helixtrans-66.3-41.1-173.4176.40000111.3T95 V141 F142 I148 A149T95-V145 HydrophobicContact CG2-CG1 3.56Å; V141-V145 HydrophobicContact CG1-CG2 4.27Å; V141-V145 WeakPolarHBondContact O-CB 3.33Å; V141-V145 VanDerWaalsContact O-CG2 3.26Å; V141-V145 WeakPolarHBondContact O-CG2 3.23Å; V141-V145 PolarHBondContact O-N 2.86Å; F142-V145 PolarHBondContact O-N 3.22Å; V145-I148 PolarHBondContact O-N 3.26Å; V145-A149 PolarHBondContact O-N 3.26Å
146V88.2Confident87.3Confident0 Ų051 Ų510%026%0.255CS..Hα-helixtrans-64.5-41.5174.9171.80000111.2T95 A99 F142 I144 I148 A149 W150 C205T95-V146 HydrophobicContact CG2-CG2 4.49Å; A99-V146 HydrophobicContact CB-CG2 3.37Å; F142-V146 VanDerWaalsContact O-CB 3.25Å; F142-V146 WeakPolarHBondContact O-CB 3.39Å; F142-V146 WeakPolarHBondContact O-CG2 3.49Å; F142-V146 PolarHBondContact O-N 3.37Å; I144-V146 PolarHBondContact O-N 2.96Å; V146-I148 VanDerWaalsContact C-N 3.34Å; V146-I148 PolarHBondContact O-N 3.37Å; V146-A149 PolarHBondContact O-N 3.48Å; V146-W150 WeakPolarHBondContact O-CB 3.3Å; V146-W150 PolarHBondContact O-N 2.63Å; V146-C205 HydrophobicContact CG1-CB 4Å
147C91.2Very high87Confident25 Ų2551.6 Ų51.617%0.16926%0.26CS..Hα-helixtrans-70.9-31.2179-59.20000111.8A143 I144 W150 I151 C205A143-C147 WeakPolarHBondContact O-CB 3.2Å; A143-C147 PolarHBondContact O-N 3.44Å; A143-C147 PolarHBondContact O-SG 2.87Å; I144-C147 PolarHBondContact O-N 2.88Å; C147-W150 PolarHBondContact O-N 2.94Å; C147-I151 WeakPolarHBondContact O-CB 3.25Å; C147-I151 WeakPolarHBondContact O-CD1 3.34Å; C147-I151 WeakPolarHBondContact O-CG1 3.42Å; C147-I151 PolarHBondContact O-N 3.3Å; C147-C205 HydrophobicContact CB-CB 4.42Å; C147-C205 WeakPolarHBondContact CB-SG 3.45Å; C147-C205 WeakPolarHBondContact SG-CB 3.5Å; C147-C205 CovalentContact SG-SG 2.08Å; C147-C205 PolarHBondContact SG-SG 2.89Å
148I88.6Confident86.8Confident95 Ų9551.4 Ų51.449%0.48726%0.263SS..Hα-helixtrans-62.5-47168.5-68.3166.9000110.8I144 V145 V146 W150 I151 T152I144-I148 HydrophobicContact CG2-CD1 3.79Å; I144-I148 HydrophobicContact CG2-CG1 4.45Å; I144-I148 WeakPolarHBondContact O-CG1 3.49Å; I144-I148 PolarHBondContact O-N 3.25Å; V145-I148 PolarHBondContact O-N 3.26Å; V146-I148 VanDerWaalsContact C-N 3.34Å; V146-I148 PolarHBondContact O-N 3.37Å; I148-W150 VanDerWaalsContact C-N 3.33Å; I148-W150 PolarHBondContact O-N 3.37Å; I148-I151 PolarHBondContact O-N 3Å; I148-T152 PolarHBondContact O-N 2.68Å; I148-T152 PolarHBondContact O-OG1 2.99Å
149A86Confident86.5Confident3 Ų351.4 Ų51.43%0.02526%0.26CS..Hα-helixtrans-59.7-45.1176.900000111.2T92 T95 V145 V146 I151 T152 V153T92-A149 HydrophobicContact CG2-CB 4.09Å; T95-A149 HydrophobicContact CG2-CB 3.58Å; V145-A149 PolarHBondContact O-N 3.26Å; V146-A149 PolarHBondContact O-N 3.48Å; A149-I151 PolarHBondContact O-N 3.46Å; A149-T152 VanDerWaalsContact O-CB 3.31Å; A149-T152 WeakPolarHBondContact O-CB 3.43Å; A149-T152 PolarHBondContact O-N 2.88Å; A149-T152 VanDerWaalsContact O-N 3.14Å; A149-V153 PolarHBondContact O-N 2.91Å
150W88.4Confident85.9Confident64 Ų6452.2 Ų52.224%0.24226%0.263CS..Hα-helixtrans-61.8-44177-17977.2000112.9V146 C147 I148 T152 V153 L154 L198 A202V146-W150 WeakPolarHBondContact O-CB 3.3Å; V146-W150 PolarHBondContact O-N 2.63Å; C147-W150 PolarHBondContact O-N 2.94Å; I148-W150 VanDerWaalsContact C-N 3.33Å; I148-W150 PolarHBondContact O-N 3.37Å; W150-T152 PolarHBondContact O-N 3.38Å; W150-V153 PolarHBondContact O-N 3.48Å; W150-V153 VanDerWaalsContact O-N 3.16Å; W150-L154 HydrophobicContact CH2-CD2 3.83Å; W150-L154 HydrophobicContact CZ3-CD2 4.02Å; W150-L154 PolarHBondContact O-N 3.01Å; W150-L198 HydrophobicContact CZ2-CD1 4.34Å; W150-L198 PolarHBondContact NE1-O 3.28Å; W150-A202 HydrophobicContact CZ2-CB 4.04Å; W150-A202 VanDerWaalsContact NE1-CB 3.33Å
151I88.8Confident85.3Confident68 Ų6848.6 Ų48.635%0.34925%0.252SS..Hα-helixtrans-59.8-39.6174.8-70.6164.3000110.4C147 I148 A149 V153 L154 W155C147-I151 WeakPolarHBondContact O-CB 3.25Å; C147-I151 WeakPolarHBondContact O-CD1 3.34Å; C147-I151 WeakPolarHBondContact O-CG1 3.42Å; C147-I151 PolarHBondContact O-N 3.3Å; I148-I151 PolarHBondContact O-N 3Å; A149-I151 PolarHBondContact O-N 3.46Å; I151-V153 VanDerWaalsContact C-N 3.34Å; I151-V153 PolarHBondContact O-N 3.16Å; I151-L154 WeakPolarHBondContact O-CB 3.38Å; I151-L154 PolarHBondContact O-N 3.03Å; I151-W155 HydrophobicContact CG2-CD2 4.17Å; I151-W155 HydrophobicContact CG2-CG 4.44Å; I151-W155 HydrophobicContact CG2-CZ2 4.25Å; I151-W155 PolarHBondContact O-N 3.01Å
152T83.5Confident84.9Confident23 Ų2346.6 Ų46.614%0.14125%0.247CC..Hα-helixtrans-61.6-43.2177.2-52.80000110.9F60 H88 I148 A149 W150 W155 G156F60-T152 HydrophobicContact CE2-CG2 3.99Å; F60-T152 HydrophobicContact CZ-CG2 4.06Å; F60-T152 WeakPolarHBondContact CZ-O 3.35Å; H88-T152 HydrophobicContact CB-CG2 4.22Å; I148-T152 PolarHBondContact O-N 2.68Å; I148-T152 PolarHBondContact O-OG1 2.99Å; A149-T152 VanDerWaalsContact O-CB 3.31Å; A149-T152 WeakPolarHBondContact O-CB 3.43Å; A149-T152 PolarHBondContact O-N 2.88Å; A149-T152 VanDerWaalsContact O-N 3.14Å; W150-T152 PolarHBondContact O-N 3.38Å; T152-W155 PolarHBondContact O-N 3.26Å; T152-G156 PolarHBondContact O-N 3.23Å
153V82.9Confident84.1Confident1 Ų145 Ų451%0.00624%0.242CC..Hα-helixtrans-61.2-47.8173.3-179.10000111.3L59 T92 A149 W150 I151 W155 G156 V157 L198L59-V153 HydrophobicContact CD2-CB 4.48Å; L59-V153 HydrophobicContact CD2-CG2 4.37Å; T92-V153 HydrophobicContact CG2-CG2 3.42Å; T92-V153 VanDerWaalsContact CG2-CG2 3.42Å; A149-V153 PolarHBondContact O-N 2.91Å; W150-V153 PolarHBondContact O-N 3.48Å; W150-V153 VanDerWaalsContact O-N 3.16Å; I151-V153 VanDerWaalsContact C-N 3.34Å; I151-V153 PolarHBondContact O-N 3.16Å; V153-W155 VanDerWaalsContact C-N 3.32Å; V153-W155 PolarHBondContact O-N 2.82Å; V153-G156 PolarHBondContact O-N 3.27Å; V153-G156 VanDerWaalsContact O-N 3.15Å; V153-V157 HydrophobicContact CG1-CG2 4.46Å; V153-V157 WeakPolarHBondContact O-CG2 3.45Å; V153-V157 PolarHBondContact O-N 3.27Å; V153-L198 HydrophobicContact CB-CD1 4.37Å; V153-L198 HydrophobicContact CG1-CB 4.34Å; V153-L198 HydrophobicContact CG1-CD1 3.95Å
154L86.3Confident83.3Confident57 Ų5744.7 Ų44.730%0.29824%0.239SC..Hα-helixtrans-57.5-46.5179.9-178.368.9000111.5W150 I151 G156 V157 V158 L198W150-L154 HydrophobicContact CH2-CD2 3.83Å; W150-L154 HydrophobicContact CZ3-CD2 4.02Å; W150-L154 PolarHBondContact O-N 3.01Å; I151-L154 WeakPolarHBondContact O-CB 3.38Å; I151-L154 PolarHBondContact O-N 3.03Å; L154-G156 VanDerWaalsContact C-N 3.34Å; L154-G156 PolarHBondContact O-N 3.36Å; L154-V157 PolarHBondContact O-N 3.14Å; L154-V158 WeakPolarHBondContact O-CG2 3.32Å; L154-V158 PolarHBondContact O-N 3.48Å; L154-L198 HydrophobicContact CB-CD1 3.98Å; L154-L198 HydrophobicContact CD1-CD1 4.01Å; L154-L198 HydrophobicContact CD1-CD2 4.25Å
155W84.9Confident82.6Confident166 Ų16646.8 Ų46.863%0.62925%0.245SC*.Hα-helixtrans-62.1-41.9177-75.90.3000112.1F60 I151 T152 V153 V157 V158 D159F60-W155 HydrophobicContact CE1-CB 3.83Å; F60-W155 HydrophobicContact CZ-CB 4.04Å; I151-W155 HydrophobicContact CG2-CD2 4.17Å; I151-W155 HydrophobicContact CG2-CG 4.44Å; I151-W155 HydrophobicContact CG2-CZ2 4.25Å; I151-W155 PolarHBondContact O-N 3.01Å; T152-W155 PolarHBondContact O-N 3.26Å; V153-W155 VanDerWaalsContact C-N 3.32Å; V153-W155 PolarHBondContact O-N 2.82Å; W155-V157 VanDerWaalsContact C-N 3.29Å; W155-V157 PolarHBondContact O-N 3.42Å; W155-V158 PolarHBondContact O-N 2.68Å; W155-D159 WeakPolarHBondContact O-CB 3.36Å; W155-D159 PolarHBondContact O-N 2.89Å
156G79.1Confident82Confident1 Ų149.6 Ų49.61%0.0126%0.262CS..Hα-helixtrans-65.7-31.8177.500000113.3F60 T152 V153 L154 W160F60-G156 VanDerWaalsContact CZ-N 3.35Å; T152-G156 PolarHBondContact O-N 3.23Å; V153-G156 PolarHBondContact O-N 3.27Å; V153-G156 VanDerWaalsContact O-N 3.15Å; L154-G156 VanDerWaalsContact C-N 3.34Å; L154-G156 PolarHBondContact O-N 3.36Å; G156-W160 VanDerWaalsContact O-CB 3.23Å; G156-W160 WeakPolarHBondContact O-CB 3.42Å; G156-W160 PolarHBondContact O-N 2.82Å
157V79.7Confident81.2Confident30 Ų3054.5 Ų54.518%0.18229%0.285CS..Hα-helixtrans-69.2-41.1171.5176.80000111.8V153 L154 W155 D159 W160 C161 V194V153-V157 HydrophobicContact CG1-CG2 4.46Å; V153-V157 WeakPolarHBondContact O-CG2 3.45Å; V153-V157 PolarHBondContact O-N 3.27Å; L154-V157 PolarHBondContact O-N 3.14Å; W155-V157 VanDerWaalsContact C-N 3.29Å; W155-V157 PolarHBondContact O-N 3.42Å; V157-D159 VanDerWaalsContact C-N 3.33Å; V157-W160 PolarHBondContact O-N 3.36Å; V157-C161 WeakPolarHBondContact O-CB 3.49Å; V157-C161 PolarHBondContact O-N 2.88Å; V157-V194 HydrophobicContact CG2-CG1 3.4Å; V157-V194 VanDerWaalsContact CG2-CG1 3.4Å
158V83.4Confident80.4Confident92 Ų9254.6 Ų54.656%0.55828%0.284SS*.Hα-helixtrans-62.4-43.7176.8169.90000110.6L154 W155 C161 G162L154-V158 WeakPolarHBondContact O-CG2 3.32Å; L154-V158 PolarHBondContact O-N 3.48Å; W155-V158 PolarHBondContact O-N 2.68Å; V158-C161 PolarHBondContact O-N 2.89Å; V158-G162 PolarHBondContact O-N 3.35Å
159D79.5Confident79.8Confident69 Ų6958.5 Ų58.537%0.36930%0.3SS..Hα-helixtrans-66.5-42.1179-163.544.9000112F60 W155 V157 C161 G162 S163F60-D159 WeakPolarHBondContact CA-OD2 3.36Å; F60-D159 HydrophobicContact CD1-CB 4.07Å; W155-D159 WeakPolarHBondContact O-CB 3.36Å; W155-D159 PolarHBondContact O-N 2.89Å; V157-D159 VanDerWaalsContact C-N 3.33Å; D159-C161 PolarHBondContact O-N 3.46Å; D159-G162 PolarHBondContact O-N 2.83Å; D159-S163 PolarHBondContact O-N 3.45Å; D159-S163 PolarHBondContact O-OG 3.43Å
160W75.3Confident79.2Confident19 Ų1960.6 Ų60.67%0.07231%0.314CS..Hα-helixtrans-56.8-50171.7-178.989.2000112.2W63 G156 V157 G162 S163 I164 Y190 F191W63-W160 AromaticContact CD1-CD1 3.92Å; W63-W160 AromaticContact CE2-CD1 3.36Å; W63-W160 AromaticContact CE2-NE1 3.06Å; W63-W160 AromaticContact CH2-NE1 3.89Å; W63-W160 AromaticContact CZ2-CD1 3.44Å; W63-W160 VanDerWaalsContact CZ2-CD1 3.44Å; W63-W160 AromaticContact CZ2-NE1 2.93Å; W63-W160 AromaticContact NE1-CD1 2.95Å; W63-W160 AromaticContact NE1-CG 3.97Å; W63-W160 AromaticContact NE1-NE1 3.18Å; W63-W160 VanDerWaalsContact NE1-NE1 3.18Å; G156-W160 VanDerWaalsContact O-CB 3.23Å; G156-W160 WeakPolarHBondContact O-CB 3.42Å; G156-W160 PolarHBondContact O-N 2.82Å; V157-W160 PolarHBondContact O-N 3.36Å; W160-G162 VanDerWaalsContact C-N 3.33Å; W160-G162 PolarHBondContact O-N 3.29Å; W160-S163 PolarHBondContact O-N 3.26Å; W160-I164 HydrophobicContact CD2-CD1 3.83Å; W160-I164 HydrophobicContact CE3-CD1 3.86Å; W160-I164 HydrophobicContact CH2-CD1 3.31Å; W160-I164 HydrophobicContact CZ2-CD1 3.27Å; W160-I164 HydrophobicContact CZ3-CD1 3.61Å; W160-I164 PolarHBondContact O-N 3.11Å; W160-Y190 HydrophobicContact CZ2-CD1 4.48Å; W160-Y190 HydrophobicContact CZ2-CE1 4.41Å; W160-Y190 AromaticContact NE1-CE1 3.73Å; W160-F191 AromaticContact CH2-CD2 3.69Å; W160-F191 HydrophobicContact CH2-CD2 3.69Å; W160-F191 HydrophobicContact CH2-CE2 4.29Å; W160-F191 AromaticContact CZ3-CD2 3.74Å; W160-F191 HydrophobicContact CZ3-CD2 3.74Å; W160-F191 AromaticContact CZ3-CE2 3.91Å; W160-F191 HydrophobicContact CZ3-CE2 3.91Å
161C78.6Confident78.3Confident40 Ų4059.5 Ų59.527%0.2732%0.316SS..Hα-helixtrans-62.8-39176.1160.70000111.5V157 V158 D159 S163 I164 K165 C171V157-C161 WeakPolarHBondContact O-CB 3.49Å; V157-C161 PolarHBondContact O-N 2.88Å; V158-C161 PolarHBondContact O-N 2.89Å; D159-C161 PolarHBondContact O-N 3.46Å; C161-S163 PolarHBondContact O-N 2.87Å; C161-I164 PolarHBondContact O-N 2.88Å; C161-K165 WeakPolarHBondContact O-CB 3.31Å; C161-K165 PolarHBondContact O-N 3.36Å; C161-C171 HydrophobicContact CB-CB 3.93Å; C161-C171 WeakPolarHBondContact CB-SG 3.43Å; C161-C171 PolarHBondContact O-SG 3.29Å; C161-C171 WeakPolarHBondContact SG-CB 3.22Å; C161-C171 CovalentContact SG-SG 2.03Å; C161-C171 PolarHBondContact SG-SG 3.5Å
162G79.7Confident77.3Confident34 Ų3463.5 Ų63.535%0.35133%0.333SS..Hα-helixtrans-57.3-46.3173.900000112.8V158 D159 W160 I164 K165 T166V158-G162 PolarHBondContact O-N 3.35Å; D159-G162 PolarHBondContact O-N 2.83Å; W160-G162 VanDerWaalsContact C-N 3.33Å; W160-G162 PolarHBondContact O-N 3.29Å; G162-I164 VanDerWaalsContact C-N 3.34Å; G162-I164 PolarHBondContact O-N 3.36Å; G162-K165 PolarHBondContact O-N 3.44Å; G162-T166 PolarHBondContact O-N 2.03Å; G162-T166 VanDerWaalsContact O-N 3.17Å
163S73.5Confident76.6Confident15 Ų1566 Ų6611%0.10534%0.342CS..Hα-helixtrans-66.6-31.5179.4-620000113.5D159 W160 C161 T166D159-S163 PolarHBondContact O-N 3.45Å; D159-S163 PolarHBondContact O-OG 3.43Å; W160-S163 PolarHBondContact O-N 3.26Å; C161-S163 PolarHBondContact O-N 2.87Å; S163-T166 PolarHBondContact O-OG1 3.2Å
164I72.7Confident75.9Confident1 Ų168.1 Ų68.11%0.00536%0.356CS..Hα-helixtrans-74.9-41.5174.2-66.5178000110.2L65 W160 C161 G162 T166 E167 L168 S170 F173L65-I164 HydrophobicContact CD1-CG1 4.18Å; W160-I164 HydrophobicContact CD2-CD1 3.83Å; W160-I164 HydrophobicContact CE3-CD1 3.86Å; W160-I164 HydrophobicContact CH2-CD1 3.31Å; W160-I164 HydrophobicContact CZ2-CD1 3.27Å; W160-I164 HydrophobicContact CZ3-CD1 3.61Å; W160-I164 PolarHBondContact O-N 3.11Å; C161-I164 PolarHBondContact O-N 2.88Å; G162-I164 VanDerWaalsContact C-N 3.34Å; G162-I164 PolarHBondContact O-N 3.36Å; I164-T166 PolarHBondContact O-N 2.87Å; I164-E167 PolarHBondContact O-N 3.44Å; I164-L168 HydrophobicContact CG2-CB 4.4Å; I164-L168 HydrophobicContact CG2-CD1 3.78Å; I164-L168 PolarHBondContact O-N 3.22Å; I164-S170 WeakPolarHBondContact CG2-O 3.19Å; I164-F173 HydrophobicContact CD1-CZ 4.11Å
165K77.6Confident75.2Confident125 Ų12574.9 Ų74.954%0.54339%0.386SS..Hα-helixtrans-62.5-31.6-178.3-172179.9178.3-177.40112.6C161 G162 E167 E169C161-K165 WeakPolarHBondContact O-CB 3.31Å; C161-K165 PolarHBondContact O-N 3.36Å; G162-K165 PolarHBondContact O-N 3.44Å; K165-E167 PolarHBondContact O-N 2.96Å; K165-E169 VanDerWaalsContact O-CA 3.24Å; K165-E169 WeakPolarHBondContact O-CA 3.43Å; K165-E169 PolarHBondContact O-N 3.34Å
166T74.5Confident74.6Confident113 Ų11370 Ų7069%0.69339%0.387SS*.Hα-helixtrans-63.8-27.1175.545.90000112.9G162 S163 I164G162-T166 PolarHBondContact O-N 2.03Å; G162-T166 VanDerWaalsContact O-N 3.17Å; S163-T166 PolarHBondContact O-OG1 3.2Å; I164-T166 PolarHBondContact O-N 2.87Å
167E71.9Confident74.3Confident104 Ų10472.8 Ų72.849%0.48640%0.398SS..Hα-helixtrans-102.3-35.3-177.3-67.3-63.815900113.6L65 I164 K165L65-E167 HydrophobicContact CB-CB 4.34Å; L65-E167 HydrophobicContact CB-CG 4.26Å; L65-E167 HydrophobicContact CD1-CB 4.23Å; L65-E167 HydrophobicContact CD1-CG 4.33Å; I164-E167 PolarHBondContact O-N 3.44Å; K165-E167 PolarHBondContact O-N 2.96Å
168L74.2Confident74Confident26 Ų2675 Ų7514%0.13641%0.411CS..Hα-helixtrans-113.14.3-172.7-73.6155.5000113.9V67 I74 I164 S170 F173 P174V67-L168 HydrophobicContact CG2-CD2 3.82Å; V67-L168 HydrophobicContact CG2-CG 4.34Å; I74-L168 HydrophobicContact CD1-CD1 4.11Å; I74-L168 HydrophobicContact CD1-CD2 3.89Å; I164-L168 HydrophobicContact CG2-CB 4.4Å; I164-L168 HydrophobicContact CG2-CD1 3.78Å; I164-L168 PolarHBondContact O-N 3.22Å; L168-S170 PolarHBondContact O-N 3.44Å; L168-F173 HydrophobicContact CD1-CD1 3.72Å; L168-F173 HydrophobicContact CD1-CE1 3.89Å; L168-P174 HydrophobicContact CD2-CG 3.85Å
169E75.3Confident73.4Confident177 Ų17773.6 Ų73.683%0.82740%0.401SS*.SBendtrans59.1-4.6-173.3-57.7-175163.500115.3K165K165-E169 VanDerWaalsContact O-CA 3.24Å; K165-E169 WeakPolarHBondContact O-CA 3.43Å; K165-E169 PolarHBondContact O-N 3.34Å
170S73.3Confident73Confident47 Ų4773.9 Ų73.933%0.32940%0.398SS..SBendtrans-140.6147.3-171.5157.80000109.6I164 L168 Q172I164-S170 WeakPolarHBondContact CG2-O 3.19Å; L168-S170 PolarHBondContact O-N 3.44Å; S170-Q172 PolarHBondContact O-N 3.43Å; S170-Q172 WeakPolarHBondContact OG-CA 3.21Å; S170-Q172 PolarHBondContact OG-N 2.84Å; S170-Q172 PolarHBondContact OG-O 2.85Å
171C69.2Low72.6Confident41 Ų4174.9 Ų74.928%0.27741%0.407SS..SBendtrans-81.1-1.7170.4-67.10000113.4C161C161-C171 HydrophobicContact CB-CB 3.93Å; C161-C171 WeakPolarHBondContact CB-SG 3.43Å; C161-C171 PolarHBondContact O-SG 3.29Å; C161-C171 WeakPolarHBondContact SG-CB 3.22Å; C161-C171 CovalentContact SG-SG 2.03Å; C161-C171 PolarHBondContact SG-SG 3.5Å
172Q69.2Low71.9Confident152 Ų15275.8 Ų75.871%0.7142%0.415SS*.SBendtrans-104.5138.2171.4-64.8-178.5-8.200109.4S170S170-Q172 PolarHBondContact O-N 3.43Å; S170-Q172 WeakPolarHBondContact OG-CA 3.21Å; S170-Q172 PolarHBondContact OG-N 2.84Å; S170-Q172 PolarHBondContact OG-O 2.85Å
173F67.4Low70.9Confident76 Ų7680.5 Ų80.533%0.33342%0.422SS..PPolyproline II helixtrans-63.3131.3168.6-65-68000109.4L65 I74 I164 L168 E175 L179L65-F173 HydrophobicContact CD2-CE1 4.4Å; I74-F173 HydrophobicContact CD1-CB 4.41Å; I74-F173 HydrophobicContact CD1-CD1 3.59Å; I74-F173 HydrophobicContact CD1-CE1 4.35Å; I74-F173 HydrophobicContact CD1-CG 4.42Å; I74-F173 HydrophobicContact CG2-CE1 4.44Å; I164-F173 HydrophobicContact CD1-CZ 4.11Å; L168-F173 HydrophobicContact CD1-CD1 3.72Å; L168-F173 HydrophobicContact CD1-CE1 3.89Å; F173-E175 PolarHBondContact O-N 2.89Å; F173-L179 HydrophobicContact CD1-CD1 4.14Å; F173-L179 HydrophobicContact CE1-CD1 3.77Å; F173-L179 HydrophobicContact CE2-CD1 4.28Å; F173-L179 HydrophobicContact CZ-CD1 3.85Å
174P68.2Low69.8Low46 Ų4688 Ų8830%0.29946%0.461SS..PPolyproline II helixtrans-59.7135.9-177.817.2-27.3000111.5I74 L168 G176 Y177I74-P174 HydrophobicContact CD1-CG 4.38Å; L168-P174 HydrophobicContact CD2-CG 3.85Å; P174-G176 PolarHBondContact O-N 3.39Å; P174-Y177 HydrophobicContact CB-CD2 3.65Å; P174-Y177 HydrophobicContact CB-CE2 3.9Å; P174-Y177 HydrophobicContact CB-CG 4.46Å; P174-Y177 HydrophobicContact CG-CD1 4.47Å; P174-Y177 HydrophobicContact CG-CD2 3.46Å; P174-Y177 VanDerWaalsContact CG-CD2 3.46Å; P174-Y177 HydrophobicContact CG-CE2 3.79Å; P174-Y177 HydrophobicContact CG-CG 3.83Å; P174-Y177 WeakPolarHBondContact O-CB 3.13Å; P174-Y177 PolarHBondContact O-N 2.84Å; P174-Y177 VanDerWaalsContact O-N 3.13Å
175E73Confident68.7Low198 Ų19890.4 Ų90.493%0.92548%0.475SS*.THydrogen-bonded Turntrans-58130.4-179.1-70.5-172.3168.200111.1F173F173-E175 PolarHBondContact O-N 2.89Å
176G70.8Confident67.4Low63 Ų6394.5 Ų94.565%0.64949%0.487SS*.THydrogen-bonded Turntrans89.9-1.1-178.400000115.2P174P174-G176 PolarHBondContact O-N 3.39Å
177Y73.6Confident66.4Low61 Ų6196.1 Ų96.124%0.23949%0.49CS..PPolyproline II helixtrans-85.8133.6168.5-77.7-108.2000111.2V67 H69 K72 I74 P174V67-Y177 HydrophobicContact CG1-CD1 4.26Å; V67-Y177 HydrophobicContact CG1-CE1 3.65Å; H69-Y177 PolarHBondContact ND1-OH 2.9Å; H69-Y177 VanDerWaalsContact ND1-OH 3.11Å; K72-Y177 VanDerWaalsContact C-CD1 3.43Å; K72-Y177 HydrophobicContact CB-CD1 4.14Å; K72-Y177 HydrophobicContact CB-CE1 4.26Å; K72-Y177 HydrophobicContact CB-CG 4.29Å; K72-Y177 CarbonylContact O-C 3.54Å; K72-Y177 WeakPolarHBondContact O-CA 3.26Å; I74-Y177 HydrophobicContact CD1-CD1 4.19Å; I74-Y177 HydrophobicContact CD1-CG 4.25Å; I74-Y177 HydrophobicContact CG1-CD1 3.81Å; I74-Y177 HydrophobicContact CG1-CG 4.31Å; P174-Y177 HydrophobicContact CB-CD2 3.65Å; P174-Y177 HydrophobicContact CB-CE2 3.9Å; P174-Y177 HydrophobicContact CB-CG 4.46Å; P174-Y177 HydrophobicContact CG-CD1 4.47Å; P174-Y177 HydrophobicContact CG-CD2 3.46Å; P174-Y177 VanDerWaalsContact CG-CD2 3.46Å; P174-Y177 HydrophobicContact CG-CE2 3.79Å; P174-Y177 HydrophobicContact CG-CG 3.83Å; P174-Y177 WeakPolarHBondContact O-CB 3.13Å; P174-Y177 PolarHBondContact O-N 2.84Å; P174-Y177 VanDerWaalsContact O-N 3.13Å
178T73Confident65.6Low75 Ų7594.3 Ų94.346%0.4648%0.483SS..EExtended strand (participates in β ladder)trans-93.5124.9174.961.20000110.4K72 S73 I74 K180K72-T178 PolarHBondContact O-N 3.19Å; S73-T178 VanDerWaalsContact CA-O 3.27Å; S73-T178 WeakPolarHBondContact CA-O 3.42Å; S73-T178 WeakPolarHBondContact CB-O 3.22Å; S73-T178 WeakPolarHBondContact CB-OG1 3.42Å; I74-T178 PolarHBondContact N-O 2.92Å; T178-K180 PolarHBondContact O-N 3.46Å
179L71Confident65.2Low64 Ų6498 Ų9834%0.33550%0.503SS..EExtended strand (participates in β ladder)trans-73.3121.3173.2-155.883.5000109.6I74 I76 F173 P181I74-L179 HydrophobicContact CB-CD1 4.16Å; I74-L179 HydrophobicContact CG2-CD1 4.13Å; I76-L179 HydrophobicContact CD1-CD1 3.79Å; I76-L179 HydrophobicContact CD1-CD2 3.8Å; I76-L179 HydrophobicContact CD1-CG 3.95Å; I76-L179 HydrophobicContact CG1-CD1 4.34Å; F173-L179 HydrophobicContact CD1-CD1 4.14Å; F173-L179 HydrophobicContact CE1-CD1 3.77Å; F173-L179 HydrophobicContact CE2-CD1 4.28Å; F173-L179 HydrophobicContact CZ-CD1 3.85Å; L179-P181 WeakPolarHBondContact O-CD 3.39Å
180K70.3Confident64.8Low74 Ų7491.2 Ų91.232%0.32247%0.47SS..EExtended strand (participates in β ladder)trans-114.194175.7-71.9180-176.1162.10108.7S73 I74 Y75 I76 T178S73-K180 PolarHBondContact OG-NZ 2.97Å; S73-K180 VanDerWaalsContact OG-NZ 3.11Å; I74-K180 PolarHBondContact O-N 2.98Å; Y75-K180 WeakPolarHBondContact CA-O 3.3Å; Y75-K180 HydrophobicContact CD1-CB 3.67Å; Y75-K180 HydrophobicContact CD1-CD 4.14Å; Y75-K180 HydrophobicContact CE1-CB 3.75Å; Y75-K180 HydrophobicContact CE1-CD 3.35Å; Y75-K180 HydrophobicContact CE1-CG 4.22Å; Y75-K180 HydrophobicContact CG-CB 4.45Å; Y75-K180 PolarHBondContact OH-NZ 3.15Å; I76-K180 PolarHBondContact N-O 3.39Å; T178-K180 PolarHBondContact O-N 3.46Å
181P68.2Low64.6Low40 Ų4094.5 Ų94.526%0.2648%0.479SS..EExtended strand (participates in β ladder)trans-64139.2173.528.2-33.7000109.5Y78 L179 W183Y78-P181 HydrophobicContact CD2-CB 4.48Å; Y78-P181 HydrophobicContact CE2-CB 3.62Å; L179-P181 WeakPolarHBondContact O-CD 3.39Å; P181-W183 WeakPolarHBondContact CB-O 3.29Å; P181-W183 PolarHBondContact O-N 2.88Å
182S63.8Low64.9Low60 Ų6094 Ų9442%0.4248%0.481SS..SBendtrans-62.1-23.5175.960.90000112.5I76 Y78I76-S182 WeakPolarHBondContact O-CB 3.39Å; I76-S182 PolarHBondContact O-N 3.32Å; I76-S182 PolarHBondContact O-OG 3.32Å; Y78-S182 PolarHBondContact N-OG 2.86Å
183W58.5Low65.4Low132 Ų13289.3 Ų89.350%0.546%0.458SS..SBendtrans-113.3149.7-178.9-70.431.2000110.5D79 P181 V185D79-W183 WeakPolarHBondContact OD1-CZ2 3.36Å; D79-W183 PolarHBondContact OD1-NE1 2.7Å; D79-W183 PolarHBondContact OD2-NE1 3.45Å; P181-W183 WeakPolarHBondContact CB-O 3.29Å; P181-W183 PolarHBondContact O-N 2.88Å; W183-V185 HydrophobicContact CB-CG2 3.87Å; W183-V185 PolarHBondContact O-N 2.97Å
184N50Low66Low174 Ų17486.1 Ų86.193%0.9345%0.445SS*.  trans-72.934.2175.6-143.212.7000112.1R186N184-R186 PolarHBondContact O-N 2.95Å
185V50.3Low66.6Low51 Ų5186.3 Ų86.331%0.30945%0.445SS..  trans-60.7114.4167.4-174.20000103.7W183 I187 I188W183-V185 HydrophobicContact CB-CG2 3.87Å; W183-V185 PolarHBondContact O-N 2.97Å; V185-I187 PolarHBondContact O-N 3.5Å; V185-I187 VanDerWaalsContact O-N 3.12Å; V185-I188 HydrophobicContact CG1-CD1 4.26Å
186R50.5Low67.3Low211 Ų21177.5 Ų77.580%0.79641%0.407SS*.  trans-36.3127.1167.2-166.2-176.2-72-158.8-0.5105.1N184 I188N184-R186 PolarHBondContact O-N 2.95Å; R186-I188 HydrophobicContact CB-CG1 4.24Å; R186-I188 VanDerWaalsContact O-CG1 3.28Å; R186-I188 WeakPolarHBondContact O-CG1 3.05Å; R186-I188 PolarHBondContact O-N 3.38Å
187I52.5Low68.1Low146 Ų14674.5 Ų74.575%0.74938%0.377SS*.  trans-6178.2179.4-55.8168.6000106.4V185 D189V185-I187 PolarHBondContact O-N 3.5Å; V185-I187 VanDerWaalsContact O-N 3.12Å; I187-D189 PolarHBondContact O-N 3.08Å
188I55.2Low68.7Low66 Ų6673.1 Ų73.134%0.33837%0.373SS..  trans-73.7122.2176.3-75.8165000100.2V185 R186 Y190 F193V185-I188 HydrophobicContact CG1-CD1 4.26Å; R186-I188 HydrophobicContact CB-CG1 4.24Å; R186-I188 VanDerWaalsContact O-CG1 3.28Å; R186-I188 WeakPolarHBondContact O-CG1 3.05Å; R186-I188 PolarHBondContact O-N 3.38Å; I188-Y190 PolarHBondContact O-N 2.92Å; I188-F193 HydrophobicContact CG2-CD2 3.52Å; I188-F193 HydrophobicContact CG2-CE2 3.43Å; I188-F193 VanDerWaalsContact CG2-CE2 3.43Å
189D66Low69.6Low104 Ų10472.5 Ų72.556%0.55637%0.369SS*.  trans-66.669.8177.9-170.6-2.1000108.6I187 F191 G192 F193I187-D189 PolarHBondContact O-N 3.08Å; D189-F191 PolarHBondContact O-N 3.38Å; D189-G192 CarbonylContact O-C 3.48Å; D189-G192 VanDerWaalsContact O-CA 3.29Å; D189-G192 WeakPolarHBondContact O-CA 3.36Å; D189-G192 PolarHBondContact O-N 3.03Å; D189-G192 PolarHBondContact OD1-N 3.42Å; D189-F193 WeakPolarHBondContact O-CD2 3.44Å; D189-F193 PolarHBondContact O-N 2.84Å
190Y66Low70.6Confident34 Ų3472.9 Ų72.913%0.13337%0.368CS..Hα-helixtrans-57.5-41.3-174.5168.2-93.4000109.3A49 L58 W63 W160 I188 G192 F193 V194A49-Y190 HydrophobicContact CB-CD2 4.31Å; A49-Y190 HydrophobicContact CB-CE2 3.81Å; L58-Y190 HydrophobicContact CB-CE2 3.64Å; L58-Y190 WeakPolarHBondContact CB-OH 3.41Å; L58-Y190 HydrophobicContact CD1-CD2 4.09Å; L58-Y190 HydrophobicContact CD1-CE2 3.74Å; L58-Y190 HydrophobicContact CD2-CE1 4.39Å; L58-Y190 HydrophobicContact CD2-CE2 3.87Å; L58-Y190 HydrophobicContact CG-CE2 3.93Å; W63-Y190 HydrophobicContact CZ2-CE1 4.48Å; W160-Y190 HydrophobicContact CZ2-CD1 4.48Å; W160-Y190 HydrophobicContact CZ2-CE1 4.41Å; W160-Y190 AromaticContact NE1-CE1 3.73Å; I188-Y190 PolarHBondContact O-N 2.92Å; Y190-G192 VanDerWaalsContact C-N 3.33Å; Y190-G192 PolarHBondContact O-N 3.03Å; Y190-F193 PolarHBondContact O-N 2.9Å; Y190-V194 HydrophobicContact CD1-CG2 4.22Å; Y190-V194 HydrophobicContact CD2-CG2 4.04Å; Y190-V194 HydrophobicContact CE1-CG2 3.73Å; Y190-V194 HydrophobicContact CE2-CG2 3.53Å; Y190-V194 HydrophobicContact CG-CG2 4.36Å; Y190-V194 WeakPolarHBondContact O-CB 3.32Å; Y190-V194 WeakPolarHBondContact O-CG2 3.23Å; Y190-V194 PolarHBondContact O-N 2.69Å
191F69.4Low71.5Confident116 Ų11669.4 Ų69.451%0.50935%0.353SS..Hα-helixtrans-58.8-47.1173.1-172.6-97.3000110.9W160 D189 F193 T195W160-F191 AromaticContact CH2-CD2 3.69Å; W160-F191 HydrophobicContact CH2-CD2 3.69Å; W160-F191 HydrophobicContact CH2-CE2 4.29Å; W160-F191 AromaticContact CZ3-CD2 3.74Å; W160-F191 HydrophobicContact CZ3-CD2 3.74Å; W160-F191 AromaticContact CZ3-CE2 3.91Å; W160-F191 HydrophobicContact CZ3-CE2 3.91Å; D189-F191 PolarHBondContact O-N 3.38Å; F191-F193 PolarHBondContact O-N 2.85Å; F191-T195 WeakPolarHBondContact O-CB 3.42Å; F191-T195 PolarHBondContact O-N 2.88Å; F191-T195 PolarHBondContact O-OG1 3.46Å
192G75.7Confident72.6Confident31 Ų3168.5 Ų68.532%0.3235%0.349SS..Hα-helixtrans-57.4-43.6172.800000113.6D189 Y190 G196D189-G192 CarbonylContact O-C 3.48Å; D189-G192 VanDerWaalsContact O-CA 3.29Å; D189-G192 WeakPolarHBondContact O-CA 3.36Å; D189-G192 PolarHBondContact O-N 3.03Å; D189-G192 PolarHBondContact OD1-N 3.42Å; Y190-G192 VanDerWaalsContact C-N 3.33Å; Y190-G192 PolarHBondContact O-N 3.03Å; G192-G196 WeakPolarHBondContact O-CA 3.39Å; G192-G196 PolarHBondContact O-N 2.8Å
193F80.8Confident74Confident54 Ų5471 Ų7124%0.23735%0.352CS..Hα-helixtrans-70-46.7179.6-72.7-66.8000112.7C45 Y48 I188 D189 Y190 F191 G196 S197C45-F193 HydrophobicContact CB-CD1 4.36Å; C45-F193 VanDerWaalsContact CB-O 3.3Å; C45-F193 WeakPolarHBondContact CB-O 3.28Å; Y48-F193 HydrophobicContact CD2-CE1 4.27Å; Y48-F193 HydrophobicContact CG-CD1 4.42Å; Y48-F193 HydrophobicContact CG-CE1 4.22Å; Y48-F193 HydrophobicContact CG-CZ 4.39Å; I188-F193 HydrophobicContact CG2-CD2 3.52Å; I188-F193 HydrophobicContact CG2-CE2 3.43Å; I188-F193 VanDerWaalsContact CG2-CE2 3.43Å; D189-F193 WeakPolarHBondContact O-CD2 3.44Å; D189-F193 PolarHBondContact O-N 2.84Å; Y190-F193 PolarHBondContact O-N 2.9Å; F191-F193 PolarHBondContact O-N 2.85Å; F193-G196 PolarHBondContact O-N 3.24Å; F193-S197 PolarHBondContact O-N 3.19Å
194V78.5Confident75.5Confident8 Ų864.7 Ų64.75%0.04833%0.329CS..Hα-helixtrans-65-42.5177.6173.20000110.8A49 L59 V157 Y190 G196 S197 L198A49-V194 HydrophobicContact CB-CG2 3.93Å; L59-V194 HydrophobicContact CD1-CG1 4.49Å; V157-V194 HydrophobicContact CG2-CG1 3.4Å; V157-V194 VanDerWaalsContact CG2-CG1 3.4Å; Y190-V194 HydrophobicContact CD1-CG2 4.22Å; Y190-V194 HydrophobicContact CD2-CG2 4.04Å; Y190-V194 HydrophobicContact CE1-CG2 3.73Å; Y190-V194 HydrophobicContact CE2-CG2 3.53Å; Y190-V194 HydrophobicContact CG-CG2 4.36Å; Y190-V194 WeakPolarHBondContact O-CB 3.32Å; Y190-V194 WeakPolarHBondContact O-CG2 3.23Å; Y190-V194 PolarHBondContact O-N 2.69Å; V194-G196 VanDerWaalsContact C-N 3.33Å; V194-G196 PolarHBondContact O-N 3.48Å; V194-S197 PolarHBondContact O-N 2.86Å; V194-L198 WeakPolarHBondContact O-CB 3.44Å; V194-L198 PolarHBondContact O-N 3.43Å
195T82.6Confident77.4Confident50 Ų5057.2 Ų57.231%0.30729%0.29SS..Hα-helixtrans-62.5-42.7174.1-57.70000110.8F191 S197 L198 V199F191-T195 WeakPolarHBondContact O-CB 3.42Å; F191-T195 PolarHBondContact O-N 2.88Å; F191-T195 PolarHBondContact O-OG1 3.46Å; T195-S197 PolarHBondContact O-N 3.48Å; T195-L198 PolarHBondContact O-N 2.87Å; T195-V199 HydrophobicContact CG2-CG2 4.23Å; T195-V199 WeakPolarHBondContact O-CB 2.95Å; T195-V199 VanDerWaalsContact O-CG2 3.26Å; T195-V199 WeakPolarHBondContact O-CG2 3.37Å; T195-V199 PolarHBondContact O-N 3.45Å
196G86.7Confident79.5Confident13 Ų1359.4 Ų59.413%0.13430%0.299CS..Hα-helixtrans-57.1-49.6173.900000111.7G192 F193 V194 L198 V199 F200G192-G196 WeakPolarHBondContact O-CA 3.39Å; G192-G196 PolarHBondContact O-N 2.8Å; F193-G196 PolarHBondContact O-N 3.24Å; V194-G196 VanDerWaalsContact C-N 3.33Å; V194-G196 PolarHBondContact O-N 3.48Å; G196-L198 PolarHBondContact O-N 2.84Å; G196-V199 PolarHBondContact O-N 3.39Å; G196-F200 WeakPolarHBondContact O-CB 3.38Å; G196-F200 WeakPolarHBondContact O-CD2 3.32Å; G196-F200 PolarHBondContact O-N 3.1Å
197S86.8Confident81.5Confident1 Ų151.5 Ų51.51%0.00727%0.272CS..Hα-helixtrans-60-44.1175.9179.70000111.9S42 F193 V194 T195 V199 G201S42-S197 PolarHBondContact O-OG 2.82Å; S42-S197 PolarHBondContact OG-O 3.13Å; S42-S197 PolarHBondContact OG-OG 3.35Å; F193-S197 PolarHBondContact O-N 3.19Å; V194-S197 PolarHBondContact O-N 2.86Å; T195-S197 PolarHBondContact O-N 3.48Å; S197-V199 PolarHBondContact O-N 3.34Å; S197-G201 WeakPolarHBondContact O-CA 3.28Å; S197-G201 PolarHBondContact O-N 2.63Å
198L87.9Confident83.3Confident32 Ų3244.5 Ų44.517%0.16824%0.236CC..Hα-helixtrans-61.4-45.9178.4-174.172000112W150 V153 L154 V194 T195 G196 A202W150-L198 HydrophobicContact CZ2-CD1 4.34Å; W150-L198 PolarHBondContact NE1-O 3.28Å; V153-L198 HydrophobicContact CB-CD1 4.37Å; V153-L198 HydrophobicContact CG1-CB 4.34Å; V153-L198 HydrophobicContact CG1-CD1 3.95Å; L154-L198 HydrophobicContact CB-CD1 3.98Å; L154-L198 HydrophobicContact CD1-CD1 4.01Å; L154-L198 HydrophobicContact CD1-CD2 4.25Å; V194-L198 WeakPolarHBondContact O-CB 3.44Å; V194-L198 PolarHBondContact O-N 3.43Å; T195-L198 PolarHBondContact O-N 2.87Å; G196-L198 PolarHBondContact O-N 2.84Å; L198-A202 VanDerWaalsContact O-CB 3.3Å; L198-A202 WeakPolarHBondContact O-CB 3.49Å; L198-A202 PolarHBondContact O-N 2.87Å
199V91.4Very high85.1Confident61 Ų6144.7 Ų44.737%0.3724%0.24SC..Hα-helixtrans-69.2-51.8-177.9171.30000110.7T195 G196 S197 A202 F203T195-V199 HydrophobicContact CG2-CG2 4.23Å; T195-V199 WeakPolarHBondContact O-CB 2.95Å; T195-V199 VanDerWaalsContact O-CG2 3.26Å; T195-V199 WeakPolarHBondContact O-CG2 3.37Å; T195-V199 PolarHBondContact O-N 3.45Å; G196-V199 PolarHBondContact O-N 3.39Å; S197-V199 PolarHBondContact O-N 3.34Å; V199-A202 WeakPolarHBondContact O-CB 3.11Å; V199-A202 PolarHBondContact O-N 3.29Å; V199-F203 HydrophobicContact CG1-CD2 3.78Å; V199-F203 HydrophobicContact CG1-CE2 3.52Å; V199-F203 WeakPolarHBondContact O-CD2 3.49Å; V199-F203 PolarHBondContact O-N 3.36Å
200F91.8Very high86.4Confident73 Ų7342.4 Ų42.432%0.3223%0.23SC..Hα-helixtrans-70.3-33.7-178.9-74.9-73.4000112.5I41 G196 F203 G204I41-F200 HydrophobicContact CB-CB 4.44Å; I41-F200 HydrophobicContact CB-CD1 4.4Å; I41-F200 HydrophobicContact CB-CD2 4.36Å; I41-F200 HydrophobicContact CB-CG 4.16Å; I41-F200 HydrophobicContact CD1-CD1 4.28Å; I41-F200 HydrophobicContact CD1-CE1 4.06Å; I41-F200 HydrophobicContact CD1-CZ 4.4Å; I41-F200 HydrophobicContact CG2-CB 4.27Å; I41-F200 HydrophobicContact CG2-CD1 4.21Å; I41-F200 HydrophobicContact CG2-CD2 3.41Å; I41-F200 VanDerWaalsContact CG2-CD2 3.41Å; I41-F200 HydrophobicContact CG2-CE1 4.45Å; I41-F200 HydrophobicContact CG2-CE2 3.72Å; I41-F200 HydrophobicContact CG2-CG 3.71Å; I41-F200 HydrophobicContact CG2-CZ 4.23Å; G196-F200 WeakPolarHBondContact O-CB 3.38Å; G196-F200 WeakPolarHBondContact O-CD2 3.32Å; G196-F200 PolarHBondContact O-N 3.1Å; F200-F203 PolarHBondContact O-N 3.26Å; F200-G204 PolarHBondContact O-N 2.94Å
201G88.8Confident87.6Confident0 Ų040.9 Ų40.90%022%0.224CC..Hα-helixtrans-63.4-40.8170.400000112.1S197 G204 C205S197-G201 WeakPolarHBondContact O-CA 3.28Å; S197-G201 PolarHBondContact O-N 2.63Å; G201-G204 PolarHBondContact O-N 3.45Å; G201-C205 PolarHBondContact O-N 3.31Å
202A91.4Very high88.6Confident21 Ų2136.1 Ų36.117%0.17421%0.205CC..Hα-helixtrans-61.2-49.1174.700000111.1W150 L198 V199 G204 C205 I206W150-A202 HydrophobicContact CZ2-CB 4.04Å; W150-A202 VanDerWaalsContact NE1-CB 3.33Å; L198-A202 VanDerWaalsContact O-CB 3.3Å; L198-A202 WeakPolarHBondContact O-CB 3.49Å; L198-A202 PolarHBondContact O-N 2.87Å; V199-A202 WeakPolarHBondContact O-CB 3.11Å; V199-A202 PolarHBondContact O-N 3.29Å; A202-G204 VanDerWaalsContact C-N 3.28Å; A202-G204 PolarHBondContact O-N 3.17Å; A202-C205 PolarHBondContact O-N 3.04Å; A202-I206 VanDerWaalsContact O-CG1 3.31Å; A202-I206 WeakPolarHBondContact O-CG1 3.3Å; A202-I206 PolarHBondContact O-N 3.46Å
203F93Very high89.3Confident113 Ų11337.9 Ų37.950%0.49621%0.209SC..Hα-helixtrans-59.6-40.9176.2-77.9-62.5000111.7V199 F200 I206 L207V199-F203 HydrophobicContact CG1-CD2 3.78Å; V199-F203 HydrophobicContact CG1-CE2 3.52Å; V199-F203 WeakPolarHBondContact O-CD2 3.49Å; V199-F203 PolarHBondContact O-N 3.36Å; F200-F203 PolarHBondContact O-N 3.26Å; F203-I206 PolarHBondContact O-N 3.28Å; F203-L207 WeakPolarHBondContact O-CB 3.31Å; F203-L207 VanDerWaalsContact O-CG 3.22Å; F203-L207 WeakPolarHBondContact O-CG 3.33Å; F203-L207 PolarHBondContact O-N 2.97Å
204G90.1Very high89.6Confident0 Ų035.7 Ų35.70%020%0.2CC..Hα-helixtrans-57.6-51.417300000112.9F200 G201 A202 L207 W208F200-G204 PolarHBondContact O-N 2.94Å; G201-G204 PolarHBondContact O-N 3.45Å; A202-G204 VanDerWaalsContact C-N 3.28Å; A202-G204 PolarHBondContact O-N 3.17Å; G204-L207 PolarHBondContact O-N 3.46Å; G204-W208 WeakPolarHBondContact O-CB 3.21Å; G204-W208 PolarHBondContact O-N 3.5Å
205C90.9Very high90Very high17 Ų1735.3 Ų35.312%0.11520%0.198CC..Hα-helixtrans-59.6-47176.9165.20000111.1V146 C147 G201 A202 L207 W208 V209V146-C205 HydrophobicContact CG1-CB 4Å; C147-C205 HydrophobicContact CB-CB 4.42Å; C147-C205 WeakPolarHBondContact CB-SG 3.45Å; C147-C205 WeakPolarHBondContact SG-CB 3.5Å; C147-C205 CovalentContact SG-SG 2.08Å; C147-C205 PolarHBondContact SG-SG 2.89Å; G201-C205 PolarHBondContact O-N 3.31Å; A202-C205 PolarHBondContact O-N 3.04Å; C205-L207 PolarHBondContact O-N 3.19Å; C205-W208 WeakPolarHBondContact O-CB 3.32Å; C205-W208 PolarHBondContact O-N 3.47Å; C205-V209 WeakPolarHBondContact O-CG2 3.39Å; C205-V209 PolarHBondContact O-N 3.17Å
206I93.2Very high90.2Very high97 Ų9734.9 Ų34.950%0.49720%0.197SC..Hα-helixtrans-60.6-47.6178.5-68.5164.8000111.1A202 F203 W208 V209 V210A202-I206 VanDerWaalsContact O-CG1 3.31Å; A202-I206 WeakPolarHBondContact O-CG1 3.3Å; A202-I206 PolarHBondContact O-N 3.46Å; F203-I206 PolarHBondContact O-N 3.28Å; I206-W208 VanDerWaalsContact C-N 3.28Å; I206-W208 PolarHBondContact O-N 2.91Å; I206-V209 PolarHBondContact O-N 3.36Å; I206-V210 WeakPolarHBondContact O-CG2 3.21Å; I206-V210 PolarHBondContact O-N 3.07Å
207L92.5Very high90.1Very high44 Ų4439.2 Ų39.223%0.2322%0.215CC..Hα-helixtrans-62.5-37.6178.5-73.3172.6000111.7A34 I35 F203 G204 C205 V210 V211A34-L207 HydrophobicContact CB-CD1 3.84Å; I35-L207 HydrophobicContact CD1-CB 4.13Å; I35-L207 HydrophobicContact CG1-CB 3.48Å; I35-L207 VanDerWaalsContact CG1-CB 3.48Å; I35-L207 HydrophobicContact CG1-CD1 4.29Å; F203-L207 WeakPolarHBondContact O-CB 3.31Å; F203-L207 VanDerWaalsContact O-CG 3.22Å; F203-L207 WeakPolarHBondContact O-CG 3.33Å; F203-L207 PolarHBondContact O-N 2.97Å; G204-L207 PolarHBondContact O-N 3.46Å; C205-L207 PolarHBondContact O-N 3.19Å; L207-V210 PolarHBondContact O-N 3.5Å; L207-V211 WeakPolarHBondContact O-CG2 3.48Å; L207-V211 PolarHBondContact O-N 3.21Å
208W91.4Very high89.7Confident0 Ų039.3 Ų39.30%022%0.215CC..Hα-helixtrans-60.8-46.4173.3-99.9121.9000112.4F32 I35 A103 S139 F142 A143 G204 C205 I206 V210 V211 V212F32-W208 HydrophobicContact CD1-CH2 4.26Å; F32-W208 HydrophobicContact CD1-CZ3 4.46Å; F32-W208 AromaticContact CE1-CH2 3.63Å; F32-W208 HydrophobicContact CE1-CH2 3.63Å; F32-W208 AromaticContact CE1-CZ3 3.6Å; F32-W208 HydrophobicContact CE1-CZ3 3.6Å; F32-W208 HydrophobicContact CZ-CZ3 4.41Å; I35-W208 HydrophobicContact CD1-CD2 3.97Å; I35-W208 HydrophobicContact CD1-CE3 4.25Å; I35-W208 HydrophobicContact CD1-CG 4.09Å; I35-W208 HydrophobicContact CG2-CD2 4.4Å; I35-W208 HydrophobicContact CG2-CG 4.32Å; I35-W208 HydrophobicContact CG2-CZ2 4.39Å; I35-W208 VanDerWaalsContact CG2-NE1 3.26Å; A103-W208 HydrophobicContact CB-CZ2 4.42Å; S139-W208 VanDerWaalsContact CA-CZ3 3.44Å; S139-W208 WeakPolarHBondContact OG-CZ3 3.49Å; F142-W208 HydrophobicContact CB-CD2 4.46Å; F142-W208 HydrophobicContact CB-CH2 4.16Å; F142-W208 HydrophobicContact CB-CZ2 3.86Å; F142-W208 HydrophobicContact CG-CZ2 4.31Å; A143-W208 HydrophobicContact CB-CB 4.17Å; G204-W208 WeakPolarHBondContact O-CB 3.21Å; G204-W208 PolarHBondContact O-N 3.5Å; C205-W208 WeakPolarHBondContact O-CB 3.32Å; C205-W208 PolarHBondContact O-N 3.47Å; I206-W208 VanDerWaalsContact C-N 3.28Å; I206-W208 PolarHBondContact O-N 2.91Å; W208-V210 VanDerWaalsContact C-N 3.31Å; W208-V210 PolarHBondContact O-N 2.63Å; W208-V211 HydrophobicContact CE3-CB 4.38Å; W208-V211 HydrophobicContact CE3-CG1 4.24Å; W208-V211 HydrophobicContact CZ3-CG1 4.13Å; W208-V211 WeakPolarHBondContact O-CB 3.42Å; W208-V211 PolarHBondContact O-N 2.8Å; W208-V211 VanDerWaalsContact O-N 3.15Å; W208-V212 WeakPolarHBondContact O-CG2 3.35Å; W208-V212 PolarHBondContact O-N 2Å
209V92.9Very high89.3Confident69 Ų6943.2 Ų43.242%0.41823%0.228SC..Hα-helixtrans-59.9-43.4175.6173.20000110.7C205 I206 V211 V212 V213C205-V209 WeakPolarHBondContact O-CG2 3.39Å; C205-V209 PolarHBondContact O-N 3.17Å; I206-V209 PolarHBondContact O-N 3.36Å; V209-V211 VanDerWaalsContact C-N 3.31Å; V209-V211 PolarHBondContact O-N 3.19Å; V209-V212 PolarHBondContact O-N 3.45Å; V209-V213 HydrophobicContact CG1-CG2 4.43Å; V209-V213 WeakPolarHBondContact O-CG2 3.39Å; V209-V213 PolarHBondContact O-N 3.26Å
210V92.9Very high88.7Confident56 Ų5644.6 Ų44.634%0.33924%0.239SC..Hα-helixtrans-60.4-41.1175.7169.40000111.6Y27 I206 L207 W208 V213 S214Y27-V210 WeakPolarHBondContact OH-CG1 3.07Å; I206-V210 WeakPolarHBondContact O-CG2 3.21Å; I206-V210 PolarHBondContact O-N 3.07Å; L207-V210 PolarHBondContact O-N 3.5Å; W208-V210 VanDerWaalsContact C-N 3.31Å; W208-V210 PolarHBondContact O-N 2.63Å; V210-V213 PolarHBondContact O-N 3.46Å; V210-S214 VanDerWaalsContact O-CB 3.24Å; V210-S214 WeakPolarHBondContact O-CB 3.29Å; V210-S214 PolarHBondContact O-N 2.87Å
211V90.3Very high87.7Confident3 Ų345.8 Ų45.82%0.01825%0.247CC..Hα-helixtrans-63.5-44.9175.4163.40000111.4C31 F32 I35 L207 W208 V209 S214 L215C31-V211 HydrophobicContact CB-CG2 3.5Å; F32-V211 HydrophobicContact CE1-CG1 3.74Å; F32-V211 HydrophobicContact CE2-CG1 4.11Å; F32-V211 HydrophobicContact CZ-CG1 3.39Å; I35-V211 HydrophobicContact CD1-CB 4.38Å; I35-V211 HydrophobicContact CD1-CG2 3.68Å; L207-V211 WeakPolarHBondContact O-CG2 3.48Å; L207-V211 PolarHBondContact O-N 3.21Å; W208-V211 HydrophobicContact CE3-CB 4.38Å; W208-V211 HydrophobicContact CE3-CG1 4.24Å; W208-V211 HydrophobicContact CZ3-CG1 4.13Å; W208-V211 WeakPolarHBondContact O-CB 3.42Å; W208-V211 PolarHBondContact O-N 2.8Å; W208-V211 VanDerWaalsContact O-N 3.15Å; V209-V211 VanDerWaalsContact C-N 3.31Å; V209-V211 PolarHBondContact O-N 3.19Å; V211-S214 PolarHBondContact O-N 3.48Å; V211-L215 HydrophobicContact CG1-CD1 3.73Å; V211-L215 HydrophobicContact CG1-CG 4.35Å; V211-L215 WeakPolarHBondContact O-CB 3.33Å; V211-L215 WeakPolarHBondContact O-CG 3.16Å; V211-L215 PolarHBondContact O-N 2.65Å
212V90.9Very high86.6Confident16 Ų1650.5 Ų50.510%0.09727%0.269CS..Hα-helixtrans-58.9-51.6176.5169.60000110.2L136 F140 A143 W208 V209 S214 L215 S216L136-V212 HydrophobicContact CD1-CG1 4.29Å; F140-V212 HydrophobicContact CD2-CG1 4.03Å; A143-V212 HydrophobicContact CB-CG2 3.94Å; W208-V212 WeakPolarHBondContact O-CG2 3.35Å; W208-V212 PolarHBondContact O-N 2Å; V209-V212 PolarHBondContact O-N 3.45Å; V212-S214 VanDerWaalsContact C-N 3.3Å; V212-S214 PolarHBondContact O-N 2.93Å; V212-L215 PolarHBondContact O-N 3.28Å; V212-L215 VanDerWaalsContact O-N 3.15Å; V212-S216 WeakPolarHBondContact O-CB 2.92Å; V212-S216 PolarHBondContact O-N 3.04Å; V212-S216 PolarHBondContact O-OG 3.03Å; V212-S216 VanDerWaalsContact O-OG 3.07Å
213V90.7Very high85.1Confident67 Ų6751.1 Ų51.141%0.40627%0.269SS..Hα-helixtrans-58.6-43.5178171.20000110.9V209 V210 L215 S216 M217V209-V213 HydrophobicContact CG1-CG2 4.43Å; V209-V213 WeakPolarHBondContact O-CG2 3.39Å; V209-V213 PolarHBondContact O-N 3.26Å; V210-V213 PolarHBondContact O-N 3.46Å; V213-L215 PolarHBondContact O-N 2.99Å; V213-S216 PolarHBondContact O-N 3.3Å; V213-M217 HydrophobicContact CG1-CE 3.73Å; V213-M217 WeakPolarHBondContact O-CB 3.19Å; V213-M217 WeakPolarHBondContact O-CG 3.29Å; V213-M217 PolarHBondContact O-N 3.44Å
214S87.7Confident83.3Confident9 Ų946.4 Ų46.46%0.06325%0.249CC..Hα-helixtrans-62.1-42.8176.8171.90000112.7W24 Y27 V210 V211 V212 R218W24-S214 VanDerWaalsContact CZ3-OG 3.28Å; W24-S214 WeakPolarHBondContact CZ3-OG 3.47Å; Y27-S214 WeakPolarHBondContact CE1-OG 3.28Å; V210-S214 VanDerWaalsContact O-CB 3.24Å; V210-S214 WeakPolarHBondContact O-CB 3.29Å; V210-S214 PolarHBondContact O-N 2.87Å; V211-S214 PolarHBondContact O-N 3.48Å; V212-S214 VanDerWaalsContact C-N 3.3Å; V212-S214 PolarHBondContact O-N 2.93Å; S214-R218 WeakPolarHBondContact O-CB 3.49Å; S214-R218 PolarHBondContact O-N 3.32Å
215L85.5Confident81.6Confident0 Ų048.7 Ų48.70%026%0.259CS..Hα-helixtrans-68.4-40.3177.7-75.7168.5000111.1V132 L136 S139 V211 V212 V213 R218 W219V132-L215 HydrophobicContact CG1-CD2 4.17Å; L136-L215 HydrophobicContact CB-CB 4.2Å; L136-L215 HydrophobicContact CD1-CB 3.54Å; L136-L215 HydrophobicContact CG-CB 4.42Å; S139-L215 WeakPolarHBondContact OG-CD1 3.02Å; V211-L215 HydrophobicContact CG1-CD1 3.73Å; V211-L215 HydrophobicContact CG1-CG 4.35Å; V211-L215 WeakPolarHBondContact O-CB 3.33Å; V211-L215 WeakPolarHBondContact O-CG 3.16Å; V211-L215 PolarHBondContact O-N 2.65Å; V212-L215 PolarHBondContact O-N 3.28Å; V212-L215 VanDerWaalsContact O-N 3.15Å; V213-L215 PolarHBondContact O-N 2.99Å; L215-R218 PolarHBondContact O-N 3.02Å; L215-W219 WeakPolarHBondContact O-CB 3.07Å; L215-W219 PolarHBondContact O-N 2.89Å
216S86.6Confident79.7Confident41 Ų4151.1 Ų51.129%0.28727%0.274SS..Hα-helixtrans-60.6-48.5173.6-63.50000111.1L136 V212 V213 R218 W219 C220L136-S216 WeakPolarHBondContact CD1-OG 3.34Å; V212-S216 WeakPolarHBondContact O-CB 2.92Å; V212-S216 PolarHBondContact O-N 3.04Å; V212-S216 PolarHBondContact O-OG 3.03Å; V212-S216 VanDerWaalsContact O-OG 3.07Å; V213-S216 PolarHBondContact O-N 3.3Å; S216-R218 VanDerWaalsContact C-N 3.33Å; S216-R218 PolarHBondContact O-N 3.04Å; S216-W219 PolarHBondContact O-N 3.09Å; S216-C220 WeakPolarHBondContact O-CB 3.24Å; S216-C220 PolarHBondContact O-N 3.42Å; S216-C220 PolarHBondContact O-SG 3.08Å
217M84.8Confident77.5Confident103 Ų10351.9 Ų51.951%0.50727%0.274SS..Hα-helixtrans-60.2-42.7175.7-75.2-165.5-166.200112.1V213 W219 C220 M221V213-M217 HydrophobicContact CG1-CE 3.73Å; V213-M217 WeakPolarHBondContact O-CB 3.19Å; V213-M217 WeakPolarHBondContact O-CG 3.29Å; V213-M217 PolarHBondContact O-N 3.44Å; M217-W219 VanDerWaalsContact C-N 3.31Å; M217-W219 PolarHBondContact O-N 3.29Å; M217-C220 PolarHBondContact O-N 3.45Å; M217-M221 HydrophobicContact CB-CE 4.05Å; M217-M221 WeakPolarHBondContact O-CB 3.43Å; M217-M221 WeakPolarHBondContact O-CE 3.44Å; M217-M221 WeakPolarHBondContact O-CG 3.45Å; M217-M221 PolarHBondContact O-N 3.47Å
218R79.9Confident75.3Confident3 Ų355.9 Ų55.91%0.01129%0.29CS..Hα-helixtrans-62.2-40.7177-178.1175.4176.1167.90.2111.7H25 Q28 S214 L215 S216 D224H25-R218 PolarHBondContact CD2-NH2 2.87Å; H25-R218 PolarHBondContact NE2-NH2 3.34Å; Q28-R218 VanDerWaalsContact CD-NH1 3.29Å; Q28-R218 VanDerWaalsContact NE2-NH1 3.15Å; S214-R218 WeakPolarHBondContact O-CB 3.49Å; S214-R218 PolarHBondContact O-N 3.32Å; L215-R218 PolarHBondContact O-N 3.02Å; S216-R218 VanDerWaalsContact C-N 3.33Å; S216-R218 PolarHBondContact O-N 3.04Å; R218-D224 IonicContact CZ-OD1 3.44Å; R218-D224 IonicContact CZ-OD2 3.54Å; R218-D224 IonicContact NE-OD1 3.48Å; R218-D224 PolarHBondContact NE-OD1 3.16Å; R218-D224 IonicContact NE-OD2 2.74Å; R218-D224 PolarHBondContact NE-OD2 3.32Å; R218-D224 IonicContact NH2-OD1 3.36Å; R218-D224 PolarHBondContact NH2-OD1 2.92Å; R218-D224 IonicContact NH2-OD2 2.75Å; R218-D224 PolarHBondContact NH2-OD2 3.13Å
219W78.2Confident73.2Confident115 Ų11562.7 Ų62.744%0.43632%0.316SS..Hα-helixtrans-65.8-50.3176-176.352.6000111.6V132 L133 L136 L215 S216 M217 M221 H222V132-W219 HydrophobicContact CG1-CB 4.24Å; L133-W219 HydrophobicContact CD1-CZ2 4.11Å; L136-W219 HydrophobicContact CD2-CE3 4.26Å; L215-W219 WeakPolarHBondContact O-CB 3.07Å; L215-W219 PolarHBondContact O-N 2.89Å; S216-W219 PolarHBondContact O-N 3.09Å; M217-W219 VanDerWaalsContact C-N 3.31Å; M217-W219 PolarHBondContact O-N 3.29Å; W219-M221 VanDerWaalsContact C-N 3.35Å; W219-M221 PolarHBondContact O-N 3.17Å; W219-H222 PolarHBondContact O-N 3.5Å; W219-H222 VanDerWaalsContact O-N 3.11Å
220C79.3Confident71.2Confident90 Ų9062.8 Ų62.861%0.60831%0.311SS*.Hα-helixtrans-61.5-38.3178.9-66.70000113.3S216 M217 H222S216-C220 WeakPolarHBondContact O-CB 3.24Å; S216-C220 PolarHBondContact O-N 3.42Å; S216-C220 PolarHBondContact O-SG 3.08Å; M217-C220 PolarHBondContact O-N 3.45Å; C220-H222 PolarHBondContact O-CD2 3.46Å; C220-H222 PolarHBondContact O-N 2.53Å
221M71Confident69Low98 Ų9865.8 Ų65.848%0.48333%0.325SS..THydrogen-bonded Turntrans-76.4-1.1179.3-74.4-169.5-8300113.5W24 M217 W219 I223W24-M221 HydrophobicContact CH2-CE 4.4Å; W24-M221 HydrophobicContact CZ2-CE 3.91Å; M217-M221 HydrophobicContact CB-CE 4.05Å; M217-M221 WeakPolarHBondContact O-CB 3.43Å; M217-M221 WeakPolarHBondContact O-CE 3.44Å; M217-M221 WeakPolarHBondContact O-CG 3.45Å; M217-M221 PolarHBondContact O-N 3.47Å; W219-M221 VanDerWaalsContact C-N 3.35Å; W219-M221 PolarHBondContact O-N 3.17Å; M221-I223 HydrophobicContact CB-CD1 3.85Å; M221-I223 HydrophobicContact CB-CG1 3.56Å; M221-I223 HydrophobicContact CE-CD1 3.68Å; M221-I223 PolarHBondContact O-N 3.15Å; M221-I223 HydrophobicContact SD-CD1 3.95Å
222H65.8Low67.1Low98 Ų9871.9 Ų71.945%0.45435%0.353SS..THydrogen-bonded Turntrans47.930.8-176.8-75.3-87.2000113.2W219 C220 D224 F225W219-H222 PolarHBondContact O-N 3.5Å; W219-H222 VanDerWaalsContact O-N 3.11Å; C220-H222 PolarHBondContact O-CD2 3.46Å; C220-H222 PolarHBondContact O-N 2.53Å; H222-D224 PolarHBondContact O-N 3.33Å; H222-F225 HydrophobicContact CB-CB 4.27Å; H222-F225 HydrophobicContact CB-CD2 3.72Å; H222-F225 HydrophobicContact CB-CG 4.44Å; H222-F225 AromaticContact CE1-CE2 3.91Å; H222-F225 AromaticContact CG-CD2 3.76Å; H222-F225 AromaticContact ND1-CD2 3.07Å; H222-F225 WeakPolarHBondContact ND1-CD2 3.42Å; H222-F225 AromaticContact ND1-CE2 3.14Å; H222-F225 WeakPolarHBondContact ND1-CE2 3.3Å; H222-F225 AromaticContact ND1-CG 3.92Å; H222-F225 WeakPolarHBondContact O-CA 3.3Å; H222-F225 WeakPolarHBondContact O-CB 3.13Å; H222-F225 PolarHBondContact O-N 3.11Å
223I59Low65.2Low35 Ų3577.3 Ų77.318%0.17937%0.372CS..THydrogen-bonded Turntrans-59.8-28.2-173.9-65.1176.8000110.9I21 W24 M221 F225I21-I223 HydrophobicContact CG1-CG2 4.26Å; W24-I223 HydrophobicContact CZ2-CD1 4.19Å; M221-I223 HydrophobicContact CB-CD1 3.85Å; M221-I223 HydrophobicContact CB-CG1 3.56Å; M221-I223 HydrophobicContact CE-CD1 3.68Å; M221-I223 PolarHBondContact O-N 3.15Å; M221-I223 HydrophobicContact SD-CD1 3.95Å; I223-F225 VanDerWaalsContact C-N 3.28Å; I223-F225 PolarHBondContact O-N 3.48Å
224D55.5Low63.3Low14 Ų1477.3 Ų77.38%0.07537%0.372CS..THydrogen-bonded Turntrans-82.30.2177-67.3-50.7000114.4A128 V132 R218 H222 P226A128-D224 HydrophobicContact CB-CB 3.62Å; V132-D224 VanDerWaalsContact CG2-OD2 3.25Å; V132-D224 WeakPolarHBondContact CG2-OD2 3.47Å; R218-D224 IonicContact CZ-OD1 3.44Å; R218-D224 IonicContact CZ-OD2 3.54Å; R218-D224 IonicContact NE-OD1 3.48Å; R218-D224 PolarHBondContact NE-OD1 3.16Å; R218-D224 IonicContact NE-OD2 2.74Å; R218-D224 PolarHBondContact NE-OD2 3.32Å; R218-D224 IonicContact NH2-OD1 3.36Å; R218-D224 PolarHBondContact NH2-OD1 2.92Å; R218-D224 IonicContact NH2-OD2 2.75Å; R218-D224 PolarHBondContact NH2-OD2 3.13Å; H222-D224 PolarHBondContact O-N 3.33Å; D224-P226 WeakPolarHBondContact O-CD 3.21Å
225F54.5Low61.4Low48 Ų4884.3 Ų84.321%0.21140%0.401CS..  trans-112.867.4173-59.1-88.6000111.7S129 H222 I223 K227 F228S129-F225 WeakPolarHBondContact OG-CE2 3.48Å; S129-F225 WeakPolarHBondContact OG-CZ 3.28Å; H222-F225 HydrophobicContact CB-CB 4.27Å; H222-F225 HydrophobicContact CB-CD2 3.72Å; H222-F225 HydrophobicContact CB-CG 4.44Å; H222-F225 AromaticContact CE1-CE2 3.91Å; H222-F225 AromaticContact CG-CD2 3.76Å; H222-F225 AromaticContact ND1-CD2 3.07Å; H222-F225 WeakPolarHBondContact ND1-CD2 3.42Å; H222-F225 AromaticContact ND1-CE2 3.14Å; H222-F225 WeakPolarHBondContact ND1-CE2 3.3Å; H222-F225 AromaticContact ND1-CG 3.92Å; H222-F225 WeakPolarHBondContact O-CA 3.3Å; H222-F225 WeakPolarHBondContact O-CB 3.13Å; H222-F225 PolarHBondContact O-N 3.11Å; I223-F225 VanDerWaalsContact C-N 3.28Å; I223-F225 PolarHBondContact O-N 3.48Å; F225-K227 PolarHBondContact O-N 2.88Å; F225-F228 HydrophobicContact CB-CB 4.22Å; F225-F228 HydrophobicContact CB-CD2 4Å; F225-F228 AromaticContact CD1-CD2 3.83Å; F225-F228 HydrophobicContact CD1-CD2 3.83Å; F225-F228 HydrophobicContact CD1-CE2 4.17Å; F225-F228 HydrophobicContact CG-CD2 4.12Å; F225-F228 PolarHBondContact O-N 3.4Å; F225-F228 VanDerWaalsContact O-N 3.15Å
226P51.1Low59.8Low67 Ų6788.8 Ų88.844%0.43543%0.425SS..Hα-helixtrans-56.4-24.9175.621.7-30.9000112.4D224 F230D224-P226 WeakPolarHBondContact O-CD 3.21Å; P226-F230 WeakPolarHBondContact O-CB 3.4Å; P226-F230 PolarHBondContact O-N 3.42Å; P226-F230 VanDerWaalsContact O-N 3.12Å
227K47.1Very low58.1Low114 Ų11490.8 Ų90.850%0.49644%0.439SS..Hα-helixtrans-73.3-36177.9-86.2-168.9173.6-171.80115.6N125 F225 F230 L231N125-K227 WeakPolarHBondContact OD1-CD 3.29Å; N125-K227 WeakPolarHBondContact OD1-CE 3.27Å; N125-K227 PolarHBondContact OD1-NZ 3.06Å; F225-K227 PolarHBondContact O-N 2.88Å; K227-F230 WeakPolarHBondContact O-CB 3.46Å; K227-F230 PolarHBondContact O-N 3.03Å; K227-L231 WeakPolarHBondContact O-CB 3.44Å; K227-L231 PolarHBondContact O-N 3.12Å
228F46.3Very low56.4Low128 Ų12892.6 Ų92.656%0.56145%0.45SS*.Hα-helixtrans-67.8-43.2178.1-89.9-76.7000110F225 F230 L231 E232F225-F228 HydrophobicContact CB-CB 4.22Å; F225-F228 HydrophobicContact CB-CD2 4Å; F225-F228 AromaticContact CD1-CD2 3.83Å; F225-F228 HydrophobicContact CD1-CD2 3.83Å; F225-F228 HydrophobicContact CD1-CE2 4.17Å; F225-F228 HydrophobicContact CG-CD2 4.12Å; F225-F228 PolarHBondContact O-N 3.4Å; F225-F228 VanDerWaalsContact O-N 3.15Å; F228-F230 PolarHBondContact O-N 3.43Å; F228-L231 PolarHBondContact O-N 2.96Å; F228-E232 WeakPolarHBondContact O-CB 3.45Å; F228-E232 PolarHBondContact O-N 3.03Å
229Y47.1Very low55Low143 Ų14396 Ų9656%0.56147%0.474SS*.Hα-helixtrans-59-35.7172.2-138.6-91.9000112.7R233Y229-R233 PolarHBondContact O-N 3.49Å
230F50.9Low53.1Low70 Ų7094.9 Ų94.931%0.30748%0.484SS..Hα-helixtrans-71-46.4175.4-118.7-83.7000113.2V10 P226 K227 F228 E232 V234V10-F230 HydrophobicContact CB-CZ 4.12Å; V10-F230 HydrophobicContact CG1-CE1 4.5Å; V10-F230 HydrophobicContact CG1-CZ 3.88Å; V10-F230 HydrophobicContact CG2-CE1 3.87Å; V10-F230 HydrophobicContact CG2-CZ 3.74Å; P226-F230 WeakPolarHBondContact O-CB 3.4Å; P226-F230 PolarHBondContact O-N 3.42Å; P226-F230 VanDerWaalsContact O-N 3.12Å; K227-F230 WeakPolarHBondContact O-CB 3.46Å; K227-F230 PolarHBondContact O-N 3.03Å; F228-F230 PolarHBondContact O-N 3.43Å; F230-E232 VanDerWaalsContact C-N 3.31Å; F230-E232 PolarHBondContact O-N 2.86Å; F230-V234 HydrophobicContact CD1-CG2 4.14Å; F230-V234 WeakPolarHBondContact O-CB 3.46Å; F230-V234 WeakPolarHBondContact O-CG2 3.33Å; F230-V234 PolarHBondContact O-N 2.87Å
231L47.5Very low51.3Low120 Ų12095.7 Ų95.763%0.62849%0.488SS*.Hα-helixtrans-64.6-38.6-179.8-88.6160.1000111.3K227 F228 K235K227-L231 WeakPolarHBondContact O-CB 3.44Å; K227-L231 PolarHBondContact O-N 3.12Å; F228-L231 PolarHBondContact O-N 2.96Å; L231-K235 VanDerWaalsContact O-CB 3.22Å; L231-K235 WeakPolarHBondContact O-CB 3.43Å; L231-K235 PolarHBondContact O-N 2.8Å
232E49.6Very low50Low130 Ų13096.6 Ų96.661%0.60750%0.504SS*.Hα-helixtrans-68.4-48.3178.9-157.2155.5-153.100111F228 F230 V234 K235 D236F228-E232 WeakPolarHBondContact O-CB 3.45Å; F228-E232 PolarHBondContact O-N 3.03Å; F230-E232 VanDerWaalsContact C-N 3.31Å; F230-E232 PolarHBondContact O-N 2.86Å; E232-V234 PolarHBondContact O-N 3.04Å; E232-K235 WeakPolarHBondContact O-CB 3.02Å; E232-K235 PolarHBondContact O-N 3.21Å; E232-D236 VanDerWaalsContact O-CG 3.25Å; E232-D236 PolarHBondContact O-N 3.43Å
233R51.3Low48.7Very low131 Ų131102 Ų10249%0.49454%0.543SS..Hα-helixtrans-66.2-36.7175.3-81.6-160.8-166.1-165.54.8114.6Y229 K235 D236 S237Y229-R233 PolarHBondContact O-N 3.49Å; R233-K235 VanDerWaalsContact C-N 3.3Å; R233-D236 PolarHBondContact O-N 3.25Å; R233-S237 WeakPolarHBondContact O-CB 3.44Å; R233-S237 PolarHBondContact O-N 3.43Å; R233-S237 PolarHBondContact O-OG 2.96Å
234V50.9Low48.2Very low67 Ų67105.4 Ų105.441%0.40656%0.562SS.*Hα-helixtrans-65.7-40.3176.4170.60000109.4F230 E232 S237 L238F230-V234 HydrophobicContact CD1-CG2 4.14Å; F230-V234 WeakPolarHBondContact O-CB 3.46Å; F230-V234 WeakPolarHBondContact O-CG2 3.33Å; F230-V234 PolarHBondContact O-N 2.87Å; E232-V234 PolarHBondContact O-N 3.04Å; V234-S237 WeakPolarHBondContact CA-OG 3.38Å; V234-S237 PolarHBondContact O-N 3.2Å; V234-S237 PolarHBondContact O-OG 3.39Å; V234-L238 HydrophobicContact CG1-CD1 3.85Å; V234-L238 PolarHBondContact O-N 3.02Å
235K48.1Very low47.8Very low156 Ų156110.2 Ų110.268%0.67859%0.587SS**Hα-helixtrans-63.3-40.6173.9-170.1179178.9-172.80112.2L231 E232 R233 L238 S239L231-K235 VanDerWaalsContact O-CB 3.22Å; L231-K235 WeakPolarHBondContact O-CB 3.43Å; L231-K235 PolarHBondContact O-N 2.8Å; E232-K235 WeakPolarHBondContact O-CB 3.02Å; E232-K235 PolarHBondContact O-N 3.21Å; R233-K235 VanDerWaalsContact C-N 3.3Å; K235-L238 PolarHBondContact O-N 3.28Å; K235-S239 WeakPolarHBondContact O-CB 3.4Å; K235-S239 PolarHBondContact O-N 2.91Å; K235-S239 PolarHBondContact O-OG 2.72Å
236D51.7Low47.4Very low94 Ų94113.6 Ų113.650%0.50361%0.608SS.*Hα-helixtrans-66.4-38.8175.1-65.6-19.9000111.8E232 R233 L238 S239 S240E232-D236 VanDerWaalsContact O-CG 3.25Å; E232-D236 PolarHBondContact O-N 3.43Å; R233-D236 PolarHBondContact O-N 3.25Å; D236-L238 VanDerWaalsContact C-N 3.31Å; D236-L238 PolarHBondContact O-N 3.08Å; D236-S239 WeakPolarHBondContact CA-OG 3.16Å; D236-S239 PolarHBondContact O-N 2.58Å; D236-S239 PolarHBondContact O-OG 3.27Å; D236-S240 PolarHBondContact O-N 3.11Å
237S50.3Low47.2Very low82 Ų82116.4 Ų116.457%0.57362%0.618SS**Hα-helixtrans-68.5-28.6177.172.70000113.6R233 V234R233-S237 WeakPolarHBondContact O-CB 3.44Å; R233-S237 PolarHBondContact O-N 3.43Å; R233-S237 PolarHBondContact O-OG 2.96Å; V234-S237 WeakPolarHBondContact CA-OG 3.38Å; V234-S237 PolarHBondContact O-N 3.2Å; V234-S237 PolarHBondContact O-OG 3.39Å
238L49.9Very low47.2Very low142 Ų142116.5 Ų116.574%0.74363%0.626SS**Hα-helixtrans-82.8-20174.6-91.8143.7000112.8V234 K235 D236V234-L238 HydrophobicContact CG1-CD1 3.85Å; V234-L238 PolarHBondContact O-N 3.02Å; K235-L238 PolarHBondContact O-N 3.28Å; D236-L238 VanDerWaalsContact C-N 3.31Å; D236-L238 PolarHBondContact O-N 3.08Å
239S50.5Low47.2Very low73 Ų73115.7 Ų115.751%0.5163%0.63SS.*Hα-helixtrans-101.1-4.4179.755.80000114.1K235 D236 P241K235-S239 WeakPolarHBondContact O-CB 3.4Å; K235-S239 PolarHBondContact O-N 2.91Å; K235-S239 PolarHBondContact O-OG 2.72Å; D236-S239 WeakPolarHBondContact CA-OG 3.16Å; D236-S239 PolarHBondContact O-N 2.58Å; D236-S239 PolarHBondContact O-OG 3.27Å; S239-P241 WeakPolarHBondContact O-CD 3.24Å
240S36.7Very low47.3Very low93 Ų93113.8 Ų113.865%0.6564%0.635SS**SBendtrans-63.5105.6160.7-113.10000107.9D236 S242D236-S240 PolarHBondContact O-N 3.11Å; S240-S242 PolarHBondContact O-N 3Å
241P42.1Very low47Very low106 Ų106117.2 Ų117.269%0.68866%0.66SS**  trans-67.5131.8-175.2-9.726.6000107.5S239 V243S239-P241 WeakPolarHBondContact O-CD 3.24Å; P241-V243 PolarHBondContact O-N 3.24Å
242S44Very low46.9Very low117 Ų117116.9 Ų116.982%0.81866%0.663SS**  trans-44.4109.915749.30000108.9S240S240-S242 PolarHBondContact O-N 3Å
243V38.1Very low46.7Very low212 Ų212115.7 Ų115.7100%1.28567%0.668SS**  trans-69.40156.2-179.10000107.8P241P241-V243 PolarHBondContact O-N 3.24Å

Retrieved 243 of 243 residues in 402.9 ms (Link to these results)

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