A0A077ZPQ5_TRITR Loading...

18S rRNA (pseudouridine-N1)-methyltransferase

S-adenosyl-L-methionine-dependent pseudouridine N(1)-methyltransferase that methylates a pseudouridine in 18S rRNA. Involved the biosynthesis of the hypermodified N1-methyl-N3-(3-amino-3-carboxypropyl) pseudouridine (m1acp3-Psi) conserved in eukaryotic 18S rRNA. Also has an essential role in 40S ribosomal subunit biogenesis independent on its methyltransferase activity, facilitating the incorporation of ribosomal protein S19 during the formation of pre-ribosomes.

AlphaFold DB , UniProt , Accession A0A077ZPQ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 219 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
1M37.5Very low46.9Very low245 Ų245143.5 Ų143.5100%1.20772%0.72SS**  0108.80-69.6-179.3-156.600108.2S3M1-S3 PolarHBondContact O-N 2.97Å
2A38.9Very low49.3Very low88 Ų88135.3 Ų135.373%0.72769%0.69SS**  trans-66.5108.6171.100000107.5F4A2-F4 VanDerWaalsContact C-N 3.35Å; A2-F4 PolarHBondContact O-N 2.82Å
3S36.4Very low51Low110 Ų110129.8 Ų129.877%0.76967%0.67SS**  trans-56.6104.8163.8165.80000106.3M1 A5M1-S3 PolarHBondContact O-N 2.97Å; S3-A5 PolarHBondContact O-N 3.41Å
4F37.1Very low52.9Low197 Ų197129.3 Ų129.386%0.86467%0.668SS**  trans-60.993.1162.8-79.1-92.5000105.1A2 K6A2-F4 VanDerWaalsContact C-N 3.35Å; A2-F4 PolarHBondContact O-N 2.82Å; F4-K6 PolarHBondContact O-N 3Å
5A41.5Very low55.1Low83 Ų83126.3 Ų126.369%0.68665%0.65SS**  trans-50111.1166.700000105S3 R7S3-A5 PolarHBondContact O-N 3.41Å; A5-R7 VanDerWaalsContact C-N 3.33Å; A5-R7 WeakPolarHBondContact O-CA 3.22Å; A5-R7 PolarHBondContact O-N 3.41Å
6K39.4Very low57.4Low204 Ų204123 Ų12389%0.88763%0.629SS**  trans-42.1102.7177.8-154.9176.4-169.7178.20105.7F4 Q8F4-K6 PolarHBondContact O-N 3Å; K6-Q8 PolarHBondContact O-N 2.68Å
7R39.8Very low59.7Low212 Ų212116.9 Ų116.980%0.860%0.598SS**  trans-57.4108.1-171.7-162.2174.9-177.9-178.80.8104A5 R9A5-R7 VanDerWaalsContact C-N 3.33Å; A5-R7 WeakPolarHBondContact O-CA 3.22Å; A5-R7 PolarHBondContact O-N 3.41Å; R7-R9 PolarHBondContact O-N 3.27Å
8Q51Low61.8Low81 Ų81110.4 Ų110.438%0.37956%0.564SS.*  trans-49.7137.9169-78.9176.5-36.900105K6 T10 E94K6-Q8 PolarHBondContact O-N 2.68Å; Q8-T10 PolarHBondContact O-N 3.21Å; Q8-E94 PolarHBondContact NE2-OE2 3.12Å; Q8-E94 VanDerWaalsContact NE2-OE2 3.1Å
9R54.5Low63.7Low254 Ų254104.7 Ų104.796%0.95854%0.535SS*.  trans-54.698.3175.9-82.7-176.8175.9171.3-2.7106.6R7 V11R7-R9 PolarHBondContact O-N 3.27Å; R9-V11 PolarHBondContact O-N 3.44Å
10T65.2Low65.5Low79 Ų7999.5 Ų99.549%0.48551%0.508SS..PPolyproline II helixtrans-70.4127.9172.747.60000104.7Q8 A12Q8-T10 PolarHBondContact O-N 3.21Å; T10-A12 PolarHBondContact O-N 3.17Å
11V74.2Confident67Low26 Ų2694.8 Ų94.816%0.15848%0.484CS..PPolyproline II helixtrans-46.5132.9170.7-179.50000107.8R9 E15 K17 P143 P170R9-V11 PolarHBondContact O-N 3.44Å; V11-E15 HydrophobicContact CG1-CB 3.77Å; V11-E15 HydrophobicContact CG1-CG 3.94Å; V11-K17 HydrophobicContact CG1-CB 3.58Å; V11-K17 HydrophobicContact CG1-CG 4.15Å; V11-K17 HydrophobicContact CG2-CB 4.28Å; V11-K17 HydrophobicContact CG2-CD 4.32Å; V11-K17 HydrophobicContact CG2-CG 3.93Å; V11-P143 HydrophobicContact CB-CB 4.06Å; V11-P143 HydrophobicContact CB-CG 3.58Å; V11-P143 HydrophobicContact CG1-CG 4.17Å; V11-P143 HydrophobicContact CG2-CG 3.97Å; V11-P170 HydrophobicContact CG1-CB 4.13Å; V11-P170 HydrophobicContact CG1-CG 4.49Å
12A76.6Confident70Confident44 Ų4483.1 Ų83.136%0.36443%0.427SS..PPolyproline II helixtrans-64.3150.9179.900000110T10 D14 E15T10-A12 PolarHBondContact O-N 3.17Å; A12-D14 PolarHBondContact O-N 2.7Å; A12-D14 VanDerWaalsContact O-N 3.12Å; A12-E15 HydrophobicContact CB-CB 3.99Å; A12-E15 PolarHBondContact N-OE2 3.01Å; A12-E15 VanDerWaalsContact N-OE2 3.08Å; A12-E15 WeakPolarHBondContact O-CB 3.14Å; A12-E15 PolarHBondContact O-N 2.67Å; A12-E15 VanDerWaalsContact O-N 3.08Å
13P71.5Confident72.8Confident65 Ų6579.4 Ų79.442%0.42239%0.394SS..THydrogen-bonded Turntrans-56.2-27.8178.1-25.935.3000114.1V144 P170P13-V144 HydrophobicContact CG-CB 4.48Å; P13-P170 WeakPolarHBondContact O-CD 3.44Å
14D77.4Confident75.6Confident122 Ų12276.5 Ų76.565%0.65237%0.37SS*.THydrogen-bonded Turntrans-106.621.5-178.2-47.3-46.9000112.2A12 D168A12-D14 PolarHBondContact O-N 2.7Å; A12-D14 VanDerWaalsContact O-N 3.12Å; D14-D168 CarbonylContact C-O 3.55Å; D14-D168 VanDerWaalsContact CA-O 3.24Å; D14-D168 WeakPolarHBondContact CA-O 3.45Å; D14-D168 VanDerWaalsContact O-O 3.11Å
15E85.8Confident78.5Confident84 Ų8467.1 Ų67.139%0.39333%0.329SS..SBendtrans-103.1122.4177.3-178.7-177.7177.200110.6V11 A12 K17 P170V11-E15 HydrophobicContact CG1-CB 3.77Å; V11-E15 HydrophobicContact CG1-CG 3.94Å; A12-E15 HydrophobicContact CB-CB 3.99Å; A12-E15 PolarHBondContact N-OE2 3.01Å; A12-E15 VanDerWaalsContact N-OE2 3.08Å; A12-E15 WeakPolarHBondContact O-CB 3.14Å; A12-E15 PolarHBondContact O-N 2.67Å; A12-E15 VanDerWaalsContact O-N 3.08Å; E15-K17 PolarHBondContact O-N 3.49Å; E15-P170 WeakPolarHBondContact O-CD 3.45Å
16K92Very high81.1Confident74 Ų7464 Ų6432%0.32230%0.3SS..  trans-53.4112.2169.3-73.5179.6171.4179.80109.6L80 D167 W216K16-L80 HydrophobicContact CB-CD2 4.19Å; K16-L80 VanDerWaalsContact O-CD2 3.23Å; K16-L80 WeakPolarHBondContact O-CD2 3.41Å; K16-D167 WeakPolarHBondContact CE-O 3.33Å; K16-W216 HydrophobicContact CB-CD2 4.28Å; K16-W216 HydrophobicContact CB-CE3 4.3Å; K16-W216 HydrophobicContact CB-CH2 4.1Å; K16-W216 HydrophobicContact CB-CZ2 4.06Å; K16-W216 HydrophobicContact CB-CZ3 4.22Å; K16-W216 HydrophobicContact CD-CB 4.41Å; K16-W216 HydrophobicContact CD-CD2 4Å; K16-W216 HydrophobicContact CD-CG 3.9Å; K16-W216 HydrophobicContact CG-CD2 4.25Å; K16-W216 HydrophobicContact CG-CZ2 4.24Å
17K95.9Very high83.9Confident20 Ų2054.6 Ų54.69%0.08726%0.26CS..EExtended strand (participates in β ladder)trans-154.2124.9174.2-162.386.6-173.7-177.10111V11 E15 I19 G79 L80 L81 P170 T171V11-K17 HydrophobicContact CG1-CB 3.58Å; V11-K17 HydrophobicContact CG1-CG 4.15Å; V11-K17 HydrophobicContact CG2-CB 4.28Å; V11-K17 HydrophobicContact CG2-CD 4.32Å; V11-K17 HydrophobicContact CG2-CG 3.93Å; E15-K17 PolarHBondContact O-N 3.49Å; K17-I19 HydrophobicContact CG-CG1 4.38Å; K17-G79 PolarHBondContact NZ-O 2.88Å; K17-L80 WeakPolarHBondContact CA-O 3.03Å; K17-L80 WeakPolarHBondContact CD-O 3.24Å; K17-L81 VanDerWaalsContact CE-O 3.25Å; K17-L81 WeakPolarHBondContact CE-O 3.42Å; K17-L81 PolarHBondContact NZ-O 3.42Å; K17-L81 VanDerWaalsContact NZ-O 3.09Å; K17-P170 HydrophobicContact CB-CB 4.25Å; K17-P170 CarbonylContact O-C 3.57Å; K17-P170 WeakPolarHBondContact O-CA 3.42Å; K17-T171 PolarHBondContact O-N 2.87Å
18L97.8Very high86.7Confident0 Ų045.8 Ų45.80%023%0.228CC..EExtended strand (participates in β ladder)trans-88.4127.6165.2176.262.9000108.6V20 L75 L80 L81 Q82 I173 I208 F212 W216L18-V20 HydrophobicContact CD1-CG2 4.28Å; L18-V20 HydrophobicContact CD2-CG2 3.75Å; L18-V20 HydrophobicContact CG-CG2 3.83Å; L18-L75 HydrophobicContact CB-CD2 3.85Å; L18-L75 HydrophobicContact CD2-CD2 3.55Å; L18-L75 HydrophobicContact CG-CD2 4.32Å; L18-L80 PolarHBondContact N-O 3.15Å; L18-L81 HydrophobicContact CB-CD1 4.21Å; L18-L81 HydrophobicContact CD2-CD1 3.94Å; L18-L81 HydrophobicContact CG-CD1 4Å; L18-L81 CarbonylContact O-C 3.58Å; L18-L81 WeakPolarHBondContact O-CA 3.27Å; L18-Q82 PolarHBondContact O-N 2.86Å; L18-I173 HydrophobicContact CD1-CB 4.35Å; L18-I173 HydrophobicContact CD1-CD1 3.92Å; L18-I173 HydrophobicContact CD1-CG1 3.92Å; L18-I208 HydrophobicContact CD1-CG2 4.29Å; L18-I208 HydrophobicContact CD2-CG2 3.57Å; L18-F212 HydrophobicContact CB-CD1 3.98Å; L18-F212 HydrophobicContact CB-CE1 4.15Å; L18-F212 HydrophobicContact CB-CG 4.4Å; L18-F212 HydrophobicContact CD1-CD1 4.36Å; L18-F212 HydrophobicContact CD1-CD2 4.34Å; L18-F212 HydrophobicContact CD1-CE1 3.92Å; L18-F212 HydrophobicContact CD1-CE2 3.9Å; L18-F212 HydrophobicContact CD1-CZ 3.68Å; L18-F212 HydrophobicContact CD2-CD1 4.47Å; L18-F212 HydrophobicContact CD2-CD2 4.08Å; L18-F212 HydrophobicContact CD2-CE2 4.42Å; L18-F212 HydrophobicContact CD2-CG 4.1Å; L18-F212 HydrophobicContact CG-CD1 4.47Å; L18-F212 HydrophobicContact CG-CE1 4.48Å; L18-W216 HydrophobicContact CB-CH2 4.42Å; L18-W216 HydrophobicContact CB-CZ3 4.49Å
19I98Very high88.9Confident2 Ų243.5 Ų43.51%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-109113.4170.6-63.5163.7000107.8K17 I21 Q82 F84 P143 T171 V172 I173K17-I19 HydrophobicContact CG-CG1 4.38Å; I19-I21 HydrophobicContact CG2-CG1 4.36Å; I19-Q82 CarbonylContact C-O 3.53Å; I19-Q82 WeakPolarHBondContact CA-O 3.18Å; I19-Q82 HydrophobicContact CG1-CB 4.07Å; I19-F84 HydrophobicContact CG2-CD2 3.73Å; I19-F84 HydrophobicContact CG2-CE2 3.84Å; I19-P143 HydrophobicContact CD1-CG 3.42Å; I19-P143 VanDerWaalsContact CD1-CG 3.42Å; I19-T171 PolarHBondContact N-O 3.46Å; I19-V172 HydrophobicContact CB-CB 4.49Å; I19-V172 HydrophobicContact CB-CG1 4.5Å; I19-V172 HydrophobicContact CB-CG2 4.12Å; I19-V172 HydrophobicContact CD1-CG2 4.15Å; I19-V172 HydrophobicContact CG2-CG1 4.28Å; I19-V172 HydrophobicContact CG2-CG2 4.41Å; I19-V172 CarbonylContact O-C 3.56Å; I19-V172 WeakPolarHBondContact O-CA 3.33Å; I19-I173 PolarHBondContact O-N 3.37Å
20V98.7Very high90.9Very high0 Ų032.4 Ų32.40%018%0.183CC..EExtended strand (participates in β ladder)trans-99.9130174.6178.60000109.9L18 L22 L70 L81 Q82 I83 F84 I173 V175L18-V20 HydrophobicContact CD1-CG2 4.28Å; L18-V20 HydrophobicContact CD2-CG2 3.75Å; L18-V20 HydrophobicContact CG-CG2 3.83Å; V20-L22 HydrophobicContact CG1-CD2 4.31Å; V20-L70 HydrophobicContact CB-CD1 4.33Å; V20-L70 HydrophobicContact CB-CD2 4.1Å; V20-L70 HydrophobicContact CG1-CD1 3.87Å; V20-L70 HydrophobicContact CG1-CD2 4.01Å; V20-L70 HydrophobicContact CG2-CD2 3.88Å; V20-L81 HydrophobicContact CB-CD1 4.44Å; V20-L81 HydrophobicContact CG2-CD1 3.84Å; V20-Q82 PolarHBondContact N-O 3.11Å; V20-I83 WeakPolarHBondContact O-CA 3.44Å; V20-F84 PolarHBondContact O-N 2.77Å; V20-I173 WeakPolarHBondContact CA-O 3.42Å; V20-V175 HydrophobicContact CG1-CG2 4.23Å
21I98.6Very high92.4Very high0 Ų035.5 Ų35.50%019%0.19CC..EExtended strand (participates in β ladder)trans-112115.4174.4-55.1176000108.5I19 E23 F84 I138 F142 V172 I173 V174 V175 Y187I19-I21 HydrophobicContact CG2-CG1 4.36Å; I21-E23 HydrophobicContact CG2-CB 4.49Å; I21-E23 PolarHBondContact O-N 2.89Å; I21-F84 CarbonylContact C-O 3.59Å; I21-F84 WeakPolarHBondContact CA-O 3.47Å; I21-F84 HydrophobicContact CG1-CB 4.37Å; I21-I138 HydrophobicContact CB-CD1 4.5Å; I21-I138 HydrophobicContact CD1-CD1 3.81Å; I21-I138 HydrophobicContact CD1-CG1 4.2Å; I21-I138 HydrophobicContact CG1-CD1 4.15Å; I21-I138 HydrophobicContact CG2-CD1 3.57Å; I21-F142 HydrophobicContact CD1-CD1 4.5Å; I21-F142 HydrophobicContact CD1-CE1 3.32Å; I21-F142 HydrophobicContact CD1-CZ 3.38Å; I21-V172 HydrophobicContact CD1-CG1 3.58Å; I21-V172 HydrophobicContact CG1-CG1 4.11Å; I21-I173 PolarHBondContact N-O 3.34Å; I21-V174 HydrophobicContact CB-CG1 4.24Å; I21-V174 HydrophobicContact CB-CG2 4.26Å; I21-V174 HydrophobicContact CD1-CG2 4.16Å; I21-V174 HydrophobicContact CG2-CG1 4.33Å; I21-V174 WeakPolarHBondContact O-CA 3.49Å; I21-V175 PolarHBondContact O-N 2.84Å; I21-Y187 HydrophobicContact CD1-CE2 4.45Å
22L98.6Very high93.4Very high0 Ų035.7 Ų35.70%019%0.191CC..EExtended strand (participates in β ladder)trans-81.597.4167.4-61.4-174.7000108.5V20 T63 L67 L70 F84 V85 R86 V175 A177V20-L22 HydrophobicContact CG1-CD2 4.31Å; L22-T63 HydrophobicContact CD1-CG2 4.16Å; L22-L67 HydrophobicContact CD1-CD2 3.92Å; L22-L67 HydrophobicContact CD1-CG 3.97Å; L22-L70 HydrophobicContact CD1-CD1 4.28Å; L22-L70 HydrophobicContact CD2-CD1 4.16Å; L22-L70 HydrophobicContact CG-CD1 4.29Å; L22-F84 PolarHBondContact N-O 2.83Å; L22-V85 HydrophobicContact CB-CB 4.45Å; L22-V85 HydrophobicContact CB-CG1 4.21Å; L22-V85 HydrophobicContact CB-CG2 4.19Å; L22-V85 HydrophobicContact CD1-CG2 4.15Å; L22-V85 CarbonylContact O-C 3.53Å; L22-V85 WeakPolarHBondContact O-CA 3.31Å; L22-R86 PolarHBondContact O-N 2.87Å; L22-V175 CarbonylContact C-O 3.55Å; L22-V175 WeakPolarHBondContact CA-O 3.03Å; L22-V175 HydrophobicContact CD2-CB 4.22Å; L22-A177 HydrophobicContact CB-CB 3.89Å
23E97.9Very high94.2Very high10 Ų1036.4 Ų36.45%0.04720%0.203CC..EExtended strand (participates in β ladder)trans-89.8149.3-175179.464.5-9200111.8I21 A25 R86 V174 V175 A177 I183 Y187I21-E23 HydrophobicContact CG2-CB 4.49Å; I21-E23 PolarHBondContact O-N 2.89Å; E23-A25 PolarHBondContact O-N 2.74Å; E23-R86 CarbonylContact C-O 3.54Å; E23-R86 WeakPolarHBondContact OE1-CD 3.37Å; E23-R86 WeakPolarHBondContact OE1-CG 3.1Å; E23-R86 WeakPolarHBondContact OE2-CD 3.33Å; E23-R86 IonicContact OE2-CZ 2.7Å; E23-R86 IonicContact OE2-NH1 2.98Å; E23-R86 PolarHBondContact OE2-NH1 3Å; E23-V174 HydrophobicContact CB-CG1 3.44Å; E23-V174 VanDerWaalsContact CB-CG1 3.44Å; E23-V174 HydrophobicContact CG-CG1 4.12Å; E23-V175 PolarHBondContact N-O 3.49Å; E23-A177 PolarHBondContact O-N 3.29Å; E23-I183 HydrophobicContact CB-CG2 4.07Å; E23-I183 HydrophobicContact CG-CB 4.38Å; E23-I183 HydrophobicContact CG-CG2 3.8Å; E23-Y187 PolarHBondContact OE2-OH 3.49Å
24N96.6Very high95.3Very high49 Ų4941.2 Ų41.226%0.26223%0.225SC..EExtended strand (participates in β ladder)trans56.731.7-177.5-160.436.9000114.5Q26 R86 A88 S178N24-Q26 PolarHBondContact O-N 2.82Å; N24-R86 PolarHBondContact N-O 2.9Å; N24-A88 WeakPolarHBondContact OD1-CA 3.48Å; N24-A88 WeakPolarHBondContact OD1-CB 3.46Å; N24-S178 WeakPolarHBondContact ND2-CB 3.34Å; N24-S178 PolarHBondContact ND2-OG 2.94Å
25A98Very high96.1Very high0 Ų037.8 Ų37.80%021%0.211CC..EExtended strand (participates in β ladder)trans-65133-179.300000112.3E23 L27 T63 V85 R86 T87 A88 A177E23-A25 PolarHBondContact O-N 2.74Å; A25-L27 HydrophobicContact CB-CG 4.42Å; A25-L27 PolarHBondContact O-N 3.27Å; A25-T63 HydrophobicContact CB-CG2 4.37Å; A25-T63 WeakPolarHBondContact CB-OG1 3.19Å; A25-V85 HydrophobicContact CB-CG1 3.29Å; A25-R86 PolarHBondContact N-O 3.12Å; A25-T87 CarbonylContact O-C 3.5Å; A25-T87 WeakPolarHBondContact O-CA 3.26Å; A25-T87 WeakPolarHBondContact O-CB 3.49Å; A25-A88 PolarHBondContact O-N 2.87Å; A25-A177 HydrophobicContact CB-CB 4.09Å
26Q96.5Very high96.7Very high18 Ų1837.5 Ų37.58%0.08421%0.212CC..  trans-88.964.6-173.4-65.4-74.4-11.500110.9N24 D57 P60 A88N24-Q26 PolarHBondContact O-N 2.82Å; Q26-D57 VanDerWaalsContact CD-O 3.22Å; Q26-D57 WeakPolarHBondContact CG-O 3.4Å; Q26-P60 WeakPolarHBondContact O-CB 3.23Å; Q26-A88 VanDerWaalsContact NE2-CB 3.34Å
27L98.2Very high97Very high6 Ų635.7 Ų35.73%0.03120%0.204CC..  trans-108.387176.9-59-178.6000109.6A25 L38 P60 T63 V85 T87 I93 F108 M112A25-L27 HydrophobicContact CB-CG 4.42Å; A25-L27 PolarHBondContact O-N 3.27Å; L27-L38 HydrophobicContact CD2-CD1 4.42Å; L27-L38 HydrophobicContact CD2-CD2 4.16Å; L27-P60 HydrophobicContact CD2-CB 3.99Å; L27-T63 HydrophobicContact CD1-CG2 4.07Å; L27-T63 HydrophobicContact CD2-CG2 4.42Å; L27-T63 HydrophobicContact CG-CG2 4.41Å; L27-V85 HydrophobicContact CD1-CG1 4.03Å; L27-T87 HydrophobicContact CB-CG2 3.9Å; L27-T87 HydrophobicContact CD1-CG2 4.42Å; L27-I93 HydrophobicContact CD1-CD1 3.75Å; L27-F108 HydrophobicContact CD2-CE1 4.29Å; L27-F108 HydrophobicContact CD2-CZ 4.08Å; L27-M112 HydrophobicContact CD1-SD 3.91Å; L27-M112 HydrophobicContact CD2-CG 4.14Å; L27-M112 HydrophobicContact CD2-SD 4.49Å
28E97.4Very high97.1Very high28 Ų2835 Ų3513%0.13120%0.202CC..  trans-127125.9176.5-174.8177.4161.200109.2L39 R53 Y58 R89E28-L39 HydrophobicContact CB-CD1 4.49Å; E28-L39 HydrophobicContact CG-CD1 4.11Å; E28-L39 WeakPolarHBondContact O-CB 3.24Å; E28-L39 PolarHBondContact O-N 2.81Å; E28-R53 IonicContact OE1-CZ 3.27Å; E28-R53 IonicContact OE1-NH1 2.91Å; E28-R53 PolarHBondContact OE1-NH1 3.31Å; E28-R53 IonicContact OE1-NH2 3.39Å; E28-R53 IonicContact OE2-NH1 3.88Å; E28-R53 PolarHBondContact OE2-NH1 3.23Å; E28-Y58 HydrophobicContact CB-CE1 4.17Å; E28-Y58 PolarHBondContact OE2-OH 2.95Å; E28-R89 IonicContact OE1-CZ 2.72Å; E28-R89 IonicContact OE1-NE 3.17Å; E28-R89 IonicContact OE1-NH2 2.89Å; E28-R89 PolarHBondContact OE1-NH2 3Å; E28-R89 IonicContact OE2-CZ 3.91Å; E28-R89 IonicContact OE2-NE 2.99Å; E28-R89 PolarHBondContact OE2-NE 2.96Å; E28-R89 IonicContact OE2-NH2 3.91Å; E28-R89 PolarHBondContact OE2-NH2 3.28Å
29S96.7Very high97.1Very high33 Ų3335 Ų3523%0.23120%0.202CC..EExtended strand (participates in β ladder)trans-101.8145.4172.159.60000111.3E37S29-E37 CarbonylContact C-O 3.53Å; S29-E37 WeakPolarHBondContact CA-O 3.4Å; S29-E37 WeakPolarHBondContact CB-O 3.17Å
30A97.1Very high97.1Very high21 Ų2135 Ų3517%0.17420%0.201CC..EExtended strand (participates in β ladder)trans-146.1159.2174.900000111.1V32 E37 L39 F47A30-V32 PolarHBondContact O-N 3.11Å; A30-E37 PolarHBondContact N-O 3.2Å; A30-E37 PolarHBondContact O-N 3.17Å; A30-L39 HydrophobicContact CB-CD1 3.88Å; A30-L39 HydrophobicContact CB-CD2 4.03Å; A30-L39 HydrophobicContact CB-CG 4.06Å; A30-F47 HydrophobicContact CB-CE1 4.16Å; A30-F47 HydrophobicContact CB-CZ 4.26Å
31K97Very high96.9Very high143 Ų14336.3 Ų36.362%0.62221%0.211SC*.EExtended strand (participates in β ladder)trans-75.8112.5173.7-172.3175.7-179179.80109.1G33 S35K31-G33 VanDerWaalsContact CE-O 3.24Å; K31-G33 WeakPolarHBondContact CE-O 3.37Å; K31-G33 WeakPolarHBondContact CG-O 3.39Å; K31-S35 CarbonylContact C-O 3.57Å; K31-S35 WeakPolarHBondContact CA-O 3.33Å
32V95.6Very high96.6Very high30 Ų3042 Ų4218%0.18224%0.237CC..EExtended strand (participates in β ladder)trans-111.9104.1177-177.20000107.3A30 N34 S35 E37 L39 F47A30-V32 PolarHBondContact O-N 3.11Å; V32-N34 PolarHBondContact O-N 3.37Å; V32-S35 PolarHBondContact N-O 3.29Å; V32-S35 PolarHBondContact O-N 3.42Å; V32-S35 PolarHBondContact O-OG 3.08Å; V32-E37 HydrophobicContact CG2-CB 4.39Å; V32-L39 HydrophobicContact CG2-CD2 4.11Å; V32-F47 HydrophobicContact CG1-CD2 4.24Å; V32-F47 HydrophobicContact CG2-CD1 4.16Å; V32-F47 HydrophobicContact CG2-CD2 4.22Å; V32-F47 HydrophobicContact CG2-CE1 4.08Å; V32-F47 HydrophobicContact CG2-CE2 4.14Å; V32-F47 HydrophobicContact CG2-CG 4.22Å; V32-F47 HydrophobicContact CG2-CZ 4.06Å
33G93.3Very high96.5Very high60 Ų6048.2 Ų48.262%0.61926%0.264SS*.THydrogen-bonded Turntrans64.2-117.1-16900000111.1K31K31-G33 VanDerWaalsContact CE-O 3.24Å; K31-G33 WeakPolarHBondContact CE-O 3.37Å; K31-G33 WeakPolarHBondContact CG-O 3.39Å
34N94Very high96.5Very high165 Ų16548.1 Ų48.188%0.88226%0.264SS*.THydrogen-bonded Turntrans-101.1-6.1-178.3-68.8-28.5000113.9V32V32-N34 PolarHBondContact O-N 3.37Å
35S95.4Very high96.5Very high51 Ų5147.2 Ų47.236%0.35726%0.263SS..EExtended strand (participates in β ladder)trans-107148-177.533.10000111.9K31 V32 E37K31-S35 CarbonylContact C-O 3.57Å; K31-S35 WeakPolarHBondContact CA-O 3.33Å; V32-S35 PolarHBondContact N-O 3.29Å; V32-S35 PolarHBondContact O-N 3.42Å; V32-S35 PolarHBondContact O-OG 3.08Å; S35-E37 PolarHBondContact OG-OE1 3.33Å
36L97.2Very high96.4Very high77 Ų7753 Ų5340%0.40329%0.294SS..EExtended strand (participates in β ladder)trans-88.3120.9165.1-173.569.4000108V113 N117L36-V113 HydrophobicContact CB-CG1 4.12Å; L36-V113 HydrophobicContact CD2-CG1 3.64Å; L36-V113 HydrophobicContact CG-CG1 3.72Å; L36-N117 HydrophobicContact CD2-CB 4.1Å
37E98.2Very high96.5Very high37 Ų3754.7 Ų54.717%0.17330%0.301CS..EExtended strand (participates in β ladder)trans-131.7150.3-171.8-59.6-163.3-150.400111.9S29 A30 V32 S35 K43 H44S29-E37 CarbonylContact C-O 3.53Å; S29-E37 WeakPolarHBondContact CA-O 3.4Å; S29-E37 WeakPolarHBondContact CB-O 3.17Å; A30-E37 PolarHBondContact N-O 3.2Å; A30-E37 PolarHBondContact O-N 3.17Å; V32-E37 HydrophobicContact CG2-CB 4.39Å; S35-E37 PolarHBondContact OG-OE1 3.33Å; E37-K43 WeakPolarHBondContact OE2-CE 3.15Å; E37-K43 IonicContact OE2-NZ 2.6Å; E37-K43 PolarHBondContact OE2-NZ 3.14Å; E37-H44 IonicContact OE2-CE1 2.68Å; E37-H44 IonicContact OE2-NE2 3.3Å; E37-H44 PolarHBondContact OE2-NE2 3.41Å; E37-H44 VanDerWaalsContact OE2-NE2 3.12Å
38L98.2Very high96.4Very high6 Ų654.4 Ų54.43%0.03130%0.3CS..EExtended strand (participates in β ladder)trans-77.2120.3171.2-168.371.6000108.8L27 A40 H44 P60 F108 A109 M112 V113 L116L27-L38 HydrophobicContact CD2-CD1 4.42Å; L27-L38 HydrophobicContact CD2-CD2 4.16Å; L38-A40 PolarHBondContact O-N 3.39Å; L38-H44 PolarHBondContact O-CE1 3.03Å; L38-H44 PolarHBondContact O-ND1 2.9Å; L38-P60 HydrophobicContact CD2-CB 3.59Å; L38-P60 HydrophobicContact CD2-CG 4.05Å; L38-P60 HydrophobicContact CG-CB 4.3Å; L38-P60 HydrophobicContact CG-CG 4.48Å; L38-F108 HydrophobicContact CD2-CE1 4.37Å; L38-A109 HydrophobicContact CB-CB 4.11Å; L38-A109 HydrophobicContact CD2-CB 4.1Å; L38-M112 HydrophobicContact CD1-CB 4.11Å; L38-M112 HydrophobicContact CD2-CB 4.03Å; L38-M112 HydrophobicContact CD2-CG 4.4Å; L38-V113 HydrophobicContact CB-CG2 3.92Å; L38-L116 HydrophobicContact CD1-CD1 4.03Å
39L98.2Very high96.4Very high0 Ų059.5 Ų59.50%032%0.321CS..  trans-66.5133.8-178.2-64.3179.5000110.7E28 A30 V32 H44 F47 L48 Y58E28-L39 HydrophobicContact CB-CD1 4.49Å; E28-L39 HydrophobicContact CG-CD1 4.11Å; E28-L39 WeakPolarHBondContact O-CB 3.24Å; E28-L39 PolarHBondContact O-N 2.81Å; A30-L39 HydrophobicContact CB-CD1 3.88Å; A30-L39 HydrophobicContact CB-CD2 4.03Å; A30-L39 HydrophobicContact CB-CG 4.06Å; V32-L39 HydrophobicContact CG2-CD2 4.11Å; L39-H44 HydrophobicContact CD2-CB 4.17Å; L39-F47 HydrophobicContact CD1-CE1 4.5Å; L39-F47 HydrophobicContact CD2-CD1 3.81Å; L39-F47 HydrophobicContact CD2-CE1 3.74Å; L39-L48 HydrophobicContact CB-CD2 4.43Å; L39-L48 HydrophobicContact CD1-CD2 3.96Å; L39-Y58 HydrophobicContact CB-CD1 3.44Å; L39-Y58 VanDerWaalsContact CB-CD1 3.44Å; L39-Y58 HydrophobicContact CB-CE1 3.79Å; L39-Y58 HydrophobicContact CB-CG 4.38Å; L39-Y58 HydrophobicContact CD1-CD1 4.3Å; L39-Y58 HydrophobicContact CD1-CE1 3.77Å; L39-Y58 HydrophobicContact CG-CE1 4.46Å
40A97.5Very high96.4Very high0 Ų066.3 Ų66.30%035%0.347CS..  trans-153.7140-172.900000110L38 H42 K43 H44 Y58 P60 Y105L38-A40 PolarHBondContact O-N 3.39Å; A40-H42 PolarHBondContact O-N 3.12Å; A40-K43 PolarHBondContact O-N 3.08Å; A40-H44 PolarHBondContact N-ND1 3.22Å; A40-H44 VanDerWaalsContact N-ND1 3.14Å; A40-H44 WeakPolarHBondContact O-CB 3.38Å; A40-H44 PolarHBondContact O-N 3.08Å; A40-Y58 CarbonylContact C-O 3.57Å; A40-Y58 WeakPolarHBondContact CA-O 3.34Å; A40-P60 HydrophobicContact CB-CG 3.89Å; A40-Y105 WeakPolarHBondContact CB-OH 2.67Å
41S95.1Very high96.3Very high28 Ų2869.2 Ų69.220%0.19636%0.359CS..Hα-helixtrans-53.5-51.8-173.765.30000112.8K43 A45 P55 Y58 R59S41-K43 VanDerWaalsContact C-N 3.34Å; S41-K43 PolarHBondContact O-N 3.48Å; S41-A45 WeakPolarHBondContact O-CB 3.39Å; S41-A45 PolarHBondContact O-N 3.11Å; S41-P55 WeakPolarHBondContact CA-O 3.5Å; S41-P55 WeakPolarHBondContact CB-O 3.48Å; S41-Y58 PolarHBondContact N-O 2.72Å; S41-R59 WeakPolarHBondContact OG-CD 3.41Å
42H92.9Very high96.3Very high121 Ų12172.1 Ų72.156%0.5637%0.372SS*.Hα-helixtrans-68.9-27.2-175.360.9-85.6000113.9A40 Y105A40-H42 PolarHBondContact O-N 3.12Å; H42-Y105 AromaticContact CE1-CE1 3.53Å; H42-Y105 AromaticContact CE1-CZ 3.88Å; H42-Y105 AromaticContact NE2-CE1 3.58Å
43K95.8Very high96.3Very high130 Ų13074.5 Ų74.557%0.56538%0.377SS*.Hα-helixtrans-100.8-32.8-175.9-171.3175.3-176.1-167.50113.1E37 A40 S41E37-K43 WeakPolarHBondContact OE2-CE 3.15Å; E37-K43 IonicContact OE2-NZ 2.6Å; E37-K43 PolarHBondContact OE2-NZ 3.14Å; A40-K43 PolarHBondContact O-N 3.08Å; S41-K43 VanDerWaalsContact C-N 3.34Å; S41-K43 PolarHBondContact O-N 3.48Å
44H97.3Very high96.4Very high7 Ų776 Ų763%0.03237%0.371CS..Hα-helixtrans-119.714.8-166.7-55.9109.7000113.7E37 L38 L39 A40 N46 F47 L48E37-H44 IonicContact OE2-CE1 2.68Å; E37-H44 IonicContact OE2-NE2 3.3Å; E37-H44 PolarHBondContact OE2-NE2 3.41Å; E37-H44 VanDerWaalsContact OE2-NE2 3.12Å; L38-H44 PolarHBondContact O-CE1 3.03Å; L38-H44 PolarHBondContact O-ND1 2.9Å; L39-H44 HydrophobicContact CD2-CB 4.17Å; A40-H44 PolarHBondContact N-ND1 3.22Å; A40-H44 VanDerWaalsContact N-ND1 3.14Å; A40-H44 WeakPolarHBondContact O-CB 3.38Å; A40-H44 PolarHBondContact O-N 3.08Å; H44-N46 PolarHBondContact O-N 3.4Å; H44-F47 HydrophobicContact CB-CB 4.45Å; H44-F47 WeakPolarHBondContact O-CB 3.01Å; H44-F47 PolarHBondContact O-N 2.79Å; H44-L48 HydrophobicContact CB-CD1 4.15Å; H44-L48 HydrophobicContact CB-CG 4.27Å; H44-L48 WeakPolarHBondContact O-CB 3.23Å; H44-L48 WeakPolarHBondContact O-CG 3.36Å; H44-L48 PolarHBondContact O-N 2.82Å
45A96.8Very high96.5Very high30 Ų3069 Ų6925%0.24833%0.334CS..Hα-helixtrans-49.9-49.5-176.600000113.9S41 F47 L48 K49 P55S41-A45 WeakPolarHBondContact O-CB 3.39Å; S41-A45 PolarHBondContact O-N 3.11Å; A45-F47 PolarHBondContact O-N 2.84Å; A45-L48 PolarHBondContact O-N 3.25Å; A45-K49 WeakPolarHBondContact O-CB 3.37Å; A45-K49 VanDerWaalsContact O-CG 3.3Å; A45-K49 WeakPolarHBondContact O-CG 3.12Å; A45-K49 PolarHBondContact O-N 2.89Å; A45-P55 HydrophobicContact CB-CB 4.02Å; A45-P55 HydrophobicContact CB-CG 3.98Å
46N97Very high96.5Very high122 Ų12268.2 Ų68.265%0.65233%0.332SS*.Hα-helixtrans-66.9-37.4-179.4-70.1-24.3000112.5H44 K50H44-N46 PolarHBondContact O-N 3.4Å; N46-K50 WeakPolarHBondContact O-CG 3.35Å; N46-K50 PolarHBondContact O-N 3.17Å; N46-K50 VanDerWaalsContact O-N 3.15Å
47F97.4Very high96.4Very high54 Ų5467.7 Ų67.724%0.23733%0.329CS..Hα-helixtrans-64.5-46.1175.5176.8-93000111A30 V32 L39 H44 A45 K50 L51A30-F47 HydrophobicContact CB-CE1 4.16Å; A30-F47 HydrophobicContact CB-CZ 4.26Å; V32-F47 HydrophobicContact CG1-CD2 4.24Å; V32-F47 HydrophobicContact CG2-CD1 4.16Å; V32-F47 HydrophobicContact CG2-CD2 4.22Å; V32-F47 HydrophobicContact CG2-CE1 4.08Å; V32-F47 HydrophobicContact CG2-CE2 4.14Å; V32-F47 HydrophobicContact CG2-CG 4.22Å; V32-F47 HydrophobicContact CG2-CZ 4.06Å; L39-F47 HydrophobicContact CD1-CE1 4.5Å; L39-F47 HydrophobicContact CD2-CD1 3.81Å; L39-F47 HydrophobicContact CD2-CE1 3.74Å; H44-F47 HydrophobicContact CB-CB 4.45Å; H44-F47 WeakPolarHBondContact O-CB 3.01Å; H44-F47 PolarHBondContact O-N 2.79Å; A45-F47 PolarHBondContact O-N 2.84Å; F47-K50 WeakPolarHBondContact O-CB 3.06Å; F47-K50 PolarHBondContact O-N 3.15Å; F47-L51 HydrophobicContact CD1-CD1 4.06Å; F47-L51 HydrophobicContact CE1-CD1 3.45Å; F47-L51 VanDerWaalsContact CE1-CD1 3.45Å; F47-L51 HydrophobicContact CE1-CG 4.41Å; F47-L51 HydrophobicContact CZ-CD1 3.83Å; F47-L51 PolarHBondContact O-N 3.26Å
48L97.2Very high96.3Very high0 Ų066.6 Ų66.60%032%0.323CS..Hα-helixtrans-63.3-43.1178.1-70.3167.5000112.1L39 H44 A45 K50 L51 K52 R53 P55 Y58L39-L48 HydrophobicContact CB-CD2 4.43Å; L39-L48 HydrophobicContact CD1-CD2 3.96Å; H44-L48 HydrophobicContact CB-CD1 4.15Å; H44-L48 HydrophobicContact CB-CG 4.27Å; H44-L48 WeakPolarHBondContact O-CB 3.23Å; H44-L48 WeakPolarHBondContact O-CG 3.36Å; H44-L48 PolarHBondContact O-N 2.82Å; A45-L48 PolarHBondContact O-N 3.25Å; L48-K50 VanDerWaalsContact C-N 3.33Å; L48-K50 PolarHBondContact O-N 3.48Å; L48-L51 CarbonylContact O-C 3.52Å; L48-L51 WeakPolarHBondContact O-CA 3.43Å; L48-L51 WeakPolarHBondContact O-CB 3.49Å; L48-L51 PolarHBondContact O-N 3.1Å; L48-K52 PolarHBondContact O-N 3.44Å; L48-R53 CarbonylContact C-O 3.56Å; L48-R53 HydrophobicContact CD2-CB 4.45Å; L48-R53 PolarHBondContact O-N 3.21Å; L48-P55 HydrophobicContact CB-CG 4.13Å; L48-P55 HydrophobicContact CD1-CB 4.23Å; L48-Y58 HydrophobicContact CD1-CD1 4.35Å; L48-Y58 HydrophobicContact CD1-CD2 3.66Å; L48-Y58 HydrophobicContact CD1-CE2 4.39Å; L48-Y58 HydrophobicContact CD1-CG 3.64Å; L48-Y58 HydrophobicContact CD2-CD1 4.03Å; L48-Y58 HydrophobicContact CD2-CD2 3.66Å; L48-Y58 HydrophobicContact CD2-CE1 3.91Å; L48-Y58 HydrophobicContact CD2-CE2 3.53Å; L48-Y58 HydrophobicContact CD2-CG 3.91Å; L48-Y58 HydrophobicContact CG-CD2 4.25Å; L48-Y58 HydrophobicContact CG-CG 4.45Å
49K97.3Very high96.3Very high134 Ų13470.4 Ų70.458%0.58334%0.338SS*.Hα-helixtrans-59.3-41.1174.9-75.7177.4179.9-176.70112.4A45 L51 K52 P55A45-K49 WeakPolarHBondContact O-CB 3.37Å; A45-K49 VanDerWaalsContact O-CG 3.3Å; A45-K49 WeakPolarHBondContact O-CG 3.12Å; A45-K49 PolarHBondContact O-N 2.89Å; K49-L51 PolarHBondContact O-N 3.17Å; K49-K52 WeakPolarHBondContact O-CA 3.47Å; K49-K52 PolarHBondContact O-N 3.05Å; K49-P55 HydrophobicContact CG-CG 3.92Å
50K96.8Very high96.3Very high177 Ų17770.4 Ų70.477%0.7734%0.338SS*.Hα-helixtrans-61.5-31.2174.5-73.3176.1-179.1-175.20112.5N46 F47 L48 K52N46-K50 WeakPolarHBondContact O-CG 3.35Å; N46-K50 PolarHBondContact O-N 3.17Å; N46-K50 VanDerWaalsContact O-N 3.15Å; F47-K50 WeakPolarHBondContact O-CB 3.06Å; F47-K50 PolarHBondContact O-N 3.15Å; L48-K50 VanDerWaalsContact C-N 3.33Å; L48-K50 PolarHBondContact O-N 3.48Å; K50-K52 PolarHBondContact O-N 2.99Å
51L95.3Very high96.3Very high82 Ų8271.6 Ų71.643%0.42934%0.344SS..THydrogen-bonded Turntrans-83.57.3174.2-61.8180000113.5F47 L48 K49 R53F47-L51 HydrophobicContact CD1-CD1 4.06Å; F47-L51 HydrophobicContact CE1-CD1 3.45Å; F47-L51 VanDerWaalsContact CE1-CD1 3.45Å; F47-L51 HydrophobicContact CE1-CG 4.41Å; F47-L51 HydrophobicContact CZ-CD1 3.83Å; F47-L51 PolarHBondContact O-N 3.26Å; L48-L51 CarbonylContact O-C 3.52Å; L48-L51 WeakPolarHBondContact O-CA 3.43Å; L48-L51 WeakPolarHBondContact O-CB 3.49Å; L48-L51 PolarHBondContact O-N 3.1Å; K49-L51 PolarHBondContact O-N 3.17Å; L51-R53 HydrophobicContact CB-CG 4.19Å; L51-R53 PolarHBondContact O-N 3.14Å
52K96.4Very high96.5Very high203 Ų20371.3 Ų71.388%0.88334%0.34SS*.THydrogen-bonded Turntrans55.337.3-174.5-56.3-177.7179.2-178.30112.9L48 K49 K50L48-K52 PolarHBondContact O-N 3.44Å; K49-K52 WeakPolarHBondContact O-CA 3.47Å; K49-K52 PolarHBondContact O-N 3.05Å; K50-K52 PolarHBondContact O-N 2.99Å
53R95.9Very high96.8Very high80 Ų8065.5 Ų65.530%0.30231%0.313SS..  trans-114.1143.6176.3-61.4179.6-177.6-178.71.3109.7E28 L48 L51 P55 Y58 R89E28-R53 IonicContact OE1-CZ 3.27Å; E28-R53 IonicContact OE1-NH1 2.91Å; E28-R53 PolarHBondContact OE1-NH1 3.31Å; E28-R53 IonicContact OE1-NH2 3.39Å; E28-R53 IonicContact OE2-NH1 3.88Å; E28-R53 PolarHBondContact OE2-NH1 3.23Å; L48-R53 CarbonylContact C-O 3.56Å; L48-R53 HydrophobicContact CD2-CB 4.45Å; L48-R53 PolarHBondContact O-N 3.21Å; L51-R53 HydrophobicContact CB-CG 4.19Å; L51-R53 PolarHBondContact O-N 3.14Å; R53-P55 VanDerWaalsContact O-CD 3.3Å; R53-P55 WeakPolarHBondContact O-CD 3.27Å; R53-Y58 HydrophobicContact CB-CE2 4.08Å; R53-Y58 VanDerWaalsContact CD-OH 3.25Å; R53-Y58 WeakPolarHBondContact CD-OH 3.44Å; R53-Y58 PolarHBondContact NH1-OH 3.07Å; R53-R89 VanDerWaalsContact NH1-NH2 3.18Å
54D95.6Very high96.9Very high93 Ų9359.9 Ų59.950%0.49729%0.289SS..  trans-75119.1177.7-169.5-15000110.1A56 D57 Y58D54-A56 PolarHBondContact O-N 3.1Å; D54-A56 WeakPolarHBondContact OD1-CB 3.25Å; D54-A56 PolarHBondContact OD1-N 3.03Å; D54-D57 PolarHBondContact O-N 2.93Å; D54-Y58 WeakPolarHBondContact O-CD2 3.23Å
55P96.1Very high97Very high16 Ų1664 Ų6410%0.10431%0.308CS..G310 helixtrans-55.8-30.5173.3-25.536.3000114.2S41 A45 L48 K49 R53 D57 Y58S41-P55 WeakPolarHBondContact CA-O 3.5Å; S41-P55 WeakPolarHBondContact CB-O 3.48Å; A45-P55 HydrophobicContact CB-CB 4.02Å; A45-P55 HydrophobicContact CB-CG 3.98Å; L48-P55 HydrophobicContact CB-CG 4.13Å; L48-P55 HydrophobicContact CD1-CB 4.23Å; K49-P55 HydrophobicContact CG-CG 3.92Å; R53-P55 VanDerWaalsContact O-CD 3.3Å; R53-P55 WeakPolarHBondContact O-CD 3.27Å; P55-D57 PolarHBondContact O-N 2.7Å; P55-Y58 PolarHBondContact O-N 2.82Å
56A95.2Very high97.1Very high36 Ų3662.5 Ų62.530%0.29830%0.296SS..G310 helixtrans-60.1-30.2-177.200000112.5D54 Y58 R59 H180D54-A56 PolarHBondContact O-N 3.1Å; D54-A56 WeakPolarHBondContact OD1-CB 3.25Å; D54-A56 PolarHBondContact OD1-N 3.03Å; A56-Y58 VanDerWaalsContact C-N 3.29Å; A56-Y58 PolarHBondContact O-N 2.61Å; A56-R59 WeakPolarHBondContact O-CG 3.22Å; A56-H180 VanDerWaalsContact C-CE1 3.44Å; A56-H180 PolarHBondContact O-CE1 3.26Å; A56-H180 VanDerWaalsContact O-CE1 3.32Å
57D94.3Very high97.2Very high66 Ų6656.8 Ų56.835%0.35327%0.265SS..G310 helixtrans-72.2-22.1178.8-70.2-35.3000112.7Q26 D54 P55 R59 H180Q26-D57 VanDerWaalsContact CD-O 3.22Å; Q26-D57 WeakPolarHBondContact CG-O 3.4Å; D54-D57 PolarHBondContact O-N 2.93Å; P55-D57 PolarHBondContact O-N 2.7Å; D57-R59 PolarHBondContact O-N 3.36Å; D57-H180 IonicContact OD1-CE1 2.61Å; D57-H180 PolarHBondContact OD1-CE1 3.4Å; D57-H180 IonicContact OD1-ND1 3.78Å; D57-H180 PolarHBondContact OD1-ND1 3.01Å
58Y97Very high97.2Very high13 Ų1355.2 Ų55.25%0.05126%0.259CS..  trans-88.275-173.9-74.9-94.4000111.5E28 L39 A40 S41 L48 R53 D54 P55 A56 P60E28-Y58 HydrophobicContact CB-CE1 4.17Å; E28-Y58 PolarHBondContact OE2-OH 2.95Å; L39-Y58 HydrophobicContact CB-CD1 3.44Å; L39-Y58 VanDerWaalsContact CB-CD1 3.44Å; L39-Y58 HydrophobicContact CB-CE1 3.79Å; L39-Y58 HydrophobicContact CB-CG 4.38Å; L39-Y58 HydrophobicContact CD1-CD1 4.3Å; L39-Y58 HydrophobicContact CD1-CE1 3.77Å; L39-Y58 HydrophobicContact CG-CE1 4.46Å; A40-Y58 CarbonylContact C-O 3.57Å; A40-Y58 WeakPolarHBondContact CA-O 3.34Å; S41-Y58 PolarHBondContact N-O 2.72Å; L48-Y58 HydrophobicContact CD1-CD1 4.35Å; L48-Y58 HydrophobicContact CD1-CD2 3.66Å; L48-Y58 HydrophobicContact CD1-CE2 4.39Å; L48-Y58 HydrophobicContact CD1-CG 3.64Å; L48-Y58 HydrophobicContact CD2-CD1 4.03Å; L48-Y58 HydrophobicContact CD2-CD2 3.66Å; L48-Y58 HydrophobicContact CD2-CE1 3.91Å; L48-Y58 HydrophobicContact CD2-CE2 3.53Å; L48-Y58 HydrophobicContact CD2-CG 3.91Å; L48-Y58 HydrophobicContact CG-CD2 4.25Å; L48-Y58 HydrophobicContact CG-CG 4.45Å; R53-Y58 HydrophobicContact CB-CE2 4.08Å; R53-Y58 VanDerWaalsContact CD-OH 3.25Å; R53-Y58 WeakPolarHBondContact CD-OH 3.44Å; R53-Y58 PolarHBondContact NH1-OH 3.07Å; D54-Y58 WeakPolarHBondContact O-CD2 3.23Å; P55-Y58 PolarHBondContact O-N 2.82Å; A56-Y58 VanDerWaalsContact C-N 3.29Å; A56-Y58 PolarHBondContact O-N 2.61Å; Y58-P60 WeakPolarHBondContact O-CD 3.39Å
59R97.5Very high97.3Very high87 Ų8758.9 Ų58.933%0.32828%0.277SS..  trans-11666.2-178.1-69.8-68.7-59.2-76.6-0.4113.6S41 A56 D57 D61 I62 A179S41-R59 WeakPolarHBondContact OG-CD 3.41Å; A56-R59 WeakPolarHBondContact O-CG 3.22Å; D57-R59 PolarHBondContact O-N 3.36Å; R59-D61 VanDerWaalsContact C-OD1 3.3Å; R59-D61 WeakPolarHBondContact CA-OD1 3.48Å; R59-D61 WeakPolarHBondContact CD-OD1 3.33Å; R59-D61 IonicContact CZ-OD1 3.12Å; R59-D61 IonicContact CZ-OD2 3.75Å; R59-D61 VanDerWaalsContact CZ-OD2 3.3Å; R59-D61 VanDerWaalsContact NE-CG 3.32Å; R59-D61 IonicContact NE-OD1 2.94Å; R59-D61 PolarHBondContact NE-OD1 2.75Å; R59-D61 IonicContact NE-OD2 3.76Å; R59-D61 PolarHBondContact NE-OD2 2.82Å; R59-D61 VanDerWaalsContact NE-OD2 3.1Å; R59-D61 IonicContact NH2-OD1 3.72Å; R59-D61 IonicContact NH2-OD2 3.88Å; R59-D61 PolarHBondContact NH2-OD2 3.33Å; R59-D61 PolarHBondContact O-N 2.94Å; R59-I62 HydrophobicContact CB-CD1 3.71Å; R59-I62 HydrophobicContact CB-CG1 4.07Å; R59-I62 PolarHBondContact O-N 2.79Å; R59-A179 HydrophobicContact CB-CB 4.17Å; R59-A179 HydrophobicContact CG-CB 3.82Å
60P98.1Very high97.4Very high0 Ų052.5 Ų52.50%025%0.25CC..Hα-helixtrans-61.2-20.5175.726-36.8000113.8Q26 L27 L38 A40 Y58 I62 T63 H64 Y105Q26-P60 WeakPolarHBondContact O-CB 3.23Å; L27-P60 HydrophobicContact CD2-CB 3.99Å; L38-P60 HydrophobicContact CD2-CB 3.59Å; L38-P60 HydrophobicContact CD2-CG 4.05Å; L38-P60 HydrophobicContact CG-CB 4.3Å; L38-P60 HydrophobicContact CG-CG 4.48Å; A40-P60 HydrophobicContact CB-CG 3.89Å; Y58-P60 WeakPolarHBondContact O-CD 3.39Å; P60-I62 PolarHBondContact O-N 3.33Å; P60-T63 WeakPolarHBondContact O-CB 3.4Å; P60-T63 PolarHBondContact O-N 3.06Å; P60-T63 VanDerWaalsContact O-N 3.17Å; P60-H64 PolarHBondContact O-N 2.99Å; P60-Y105 HydrophobicContact CB-CE2 4.24Å; P60-Y105 HydrophobicContact CG-CE2 3.87Å; P60-Y105 WeakPolarHBondContact CG-OH 3.36Å
61D98.3Very high97.5Very high25 Ų2544.8 Ų44.813%0.13422%0.217CC..Hα-helixtrans-62.2-28.3175.859.8-65.4000112.9R59 T63 H64 Q65 Y105R59-D61 VanDerWaalsContact C-OD1 3.3Å; R59-D61 WeakPolarHBondContact CA-OD1 3.48Å; R59-D61 WeakPolarHBondContact CD-OD1 3.33Å; R59-D61 IonicContact CZ-OD1 3.12Å; R59-D61 IonicContact CZ-OD2 3.75Å; R59-D61 VanDerWaalsContact CZ-OD2 3.3Å; R59-D61 VanDerWaalsContact NE-CG 3.32Å; R59-D61 IonicContact NE-OD1 2.94Å; R59-D61 PolarHBondContact NE-OD1 2.75Å; R59-D61 IonicContact NE-OD2 3.76Å; R59-D61 PolarHBondContact NE-OD2 2.82Å; R59-D61 VanDerWaalsContact NE-OD2 3.1Å; R59-D61 IonicContact NH2-OD1 3.72Å; R59-D61 IonicContact NH2-OD2 3.88Å; R59-D61 PolarHBondContact NH2-OD2 3.33Å; R59-D61 PolarHBondContact O-N 2.94Å; D61-T63 VanDerWaalsContact C-N 3.35Å; D61-H64 WeakPolarHBondContact O-CB 3.31Å; D61-H64 PolarHBondContact O-N 2.88Å; D61-Q65 WeakPolarHBondContact O-CG 3.34Å; D61-Q65 PolarHBondContact O-N 2.66Å; D61-Y105 HydrophobicContact CB-CD2 4.2Å; D61-Y105 HydrophobicContact CB-CE2 4.22Å
62I98.4Very high97.6Very high21 Ų2143.9 Ų43.911%0.10821%0.212CC..Hα-helixtrans-63.6-44.2174.1-63.5174000110.3R59 P60 S66 A177 A179 A201R59-I62 HydrophobicContact CB-CD1 3.71Å; R59-I62 HydrophobicContact CB-CG1 4.07Å; R59-I62 PolarHBondContact O-N 2.79Å; P60-I62 PolarHBondContact O-N 3.33Å; I62-S66 WeakPolarHBondContact O-CB 3.49Å; I62-S66 PolarHBondContact O-N 3.47Å; I62-S66 PolarHBondContact O-OG 3.41Å; I62-A177 HydrophobicContact CG2-CB 4.4Å; I62-A179 HydrophobicContact CD1-CB 4.08Å; I62-A201 HydrophobicContact CG2-CB 3.61Å
63T98.8Very high97.7Very high0 Ų034.7 Ų34.70%017%0.173CC..Hα-helixtrans-66.4-42.2175.8-570000110.7L22 A25 L27 P60 D61 S66 L67 V85 F108L22-T63 HydrophobicContact CD1-CG2 4.16Å; A25-T63 HydrophobicContact CB-CG2 4.37Å; A25-T63 WeakPolarHBondContact CB-OG1 3.19Å; L27-T63 HydrophobicContact CD1-CG2 4.07Å; L27-T63 HydrophobicContact CD2-CG2 4.42Å; L27-T63 HydrophobicContact CG-CG2 4.41Å; P60-T63 WeakPolarHBondContact O-CB 3.4Å; P60-T63 PolarHBondContact O-N 3.06Å; P60-T63 VanDerWaalsContact O-N 3.17Å; D61-T63 VanDerWaalsContact C-N 3.35Å; T63-S66 PolarHBondContact O-N 2.87Å; T63-L67 HydrophobicContact CG2-CD1 3.92Å; T63-L67 HydrophobicContact CG2-CG 4.25Å; T63-L67 WeakPolarHBondContact O-CB 3.47Å; T63-L67 VanDerWaalsContact O-CG 3.3Å; T63-L67 WeakPolarHBondContact O-CG 3.36Å; T63-L67 PolarHBondContact O-N 2.81Å; T63-V85 HydrophobicContact CG2-CG1 4.02Å; T63-V85 HydrophobicContact CG2-CG2 4.45Å; T63-F108 HydrophobicContact CG2-CZ 4.46Å
64H98.8Very high97.8Very high11 Ų1133.4 Ų33.45%0.05118%0.175CC..Hα-helixtrans-55.5-54.4176.6179.5-142.9000112.1P60 D61 S66 L67 L68 P102 R103 F108P60-H64 PolarHBondContact O-N 2.99Å; D61-H64 WeakPolarHBondContact O-CB 3.31Å; D61-H64 PolarHBondContact O-N 2.88Å; H64-S66 VanDerWaalsContact C-N 3.34Å; H64-S66 PolarHBondContact O-N 2.88Å; H64-L67 PolarHBondContact O-N 3.29Å; H64-L68 WeakPolarHBondContact O-CG 3.28Å; H64-L68 PolarHBondContact O-N 3.29Å; H64-P102 PolarHBondContact NE2-O 2.8Å; H64-R103 PolarHBondContact CE1-O 2.97Å; H64-F108 HydrophobicContact CB-CD1 3.66Å; H64-F108 HydrophobicContact CB-CD2 4.35Å; H64-F108 HydrophobicContact CB-CE1 3.63Å; H64-F108 HydrophobicContact CB-CE2 4.32Å; H64-F108 HydrophobicContact CB-CG 4.02Å; H64-F108 HydrophobicContact CB-CZ 3.96Å; H64-F108 AromaticContact CD2-CD2 3.68Å; H64-F108 AromaticContact CD2-CG 3.48Å; H64-F108 VanDerWaalsContact CD2-CG 3.48Å; H64-F108 WeakPolarHBondContact CD2-CG 3.41Å; H64-F108 AromaticContact CG-CD1 3.81Å; H64-F108 AromaticContact CG-CG 3.77Å
65Q98.7Very high97.9Very high93 Ų9329 Ų2944%0.43515%0.152SC..Hα-helixtrans-63.4-40.1-179.9-69.2175.1-3.700112.1D61 L68 M69 A202D61-Q65 WeakPolarHBondContact O-CG 3.34Å; D61-Q65 PolarHBondContact O-N 2.66Å; Q65-L68 PolarHBondContact O-N 2.93Å; Q65-M69 WeakPolarHBondContact O-CG 3.45Å; Q65-M69 PolarHBondContact O-N 2.83Å; Q65-A202 HydrophobicContact CB-CB 3.8Å
66S98.9Very high98Very high0 Ų029 Ų290%015%0.151CC..Hα-helixtrans-64.7-43.7178.7-55.80000111.7I62 T63 H64 L68 M69 L70 A201 A202I62-S66 WeakPolarHBondContact O-CB 3.49Å; I62-S66 PolarHBondContact O-N 3.47Å; I62-S66 PolarHBondContact O-OG 3.41Å; T63-S66 PolarHBondContact O-N 2.87Å; H64-S66 VanDerWaalsContact C-N 3.34Å; H64-S66 PolarHBondContact O-N 2.88Å; S66-L68 VanDerWaalsContact C-N 3.34Å; S66-L68 PolarHBondContact O-N 3.39Å; S66-M69 PolarHBondContact O-N 3.35Å; S66-L70 WeakPolarHBondContact O-CB 3.38Å; S66-L70 VanDerWaalsContact O-CG 3.25Å; S66-L70 WeakPolarHBondContact O-CG 3.32Å; S66-L70 PolarHBondContact O-N 3.36Å; S66-A201 WeakPolarHBondContact OG-CB 3.43Å; S66-A202 PolarHBondContact OG-N 3.31Å
67L98.9Very high98.1Very high1 Ų135 Ų351%0.00517%0.17CC..Hα-helixtrans-64.3-37.3176.1-71.7174.1000112.5L22 T63 H64 L71 I83 V85 I95 I101 F108L22-L67 HydrophobicContact CD1-CD2 3.92Å; L22-L67 HydrophobicContact CD1-CG 3.97Å; T63-L67 HydrophobicContact CG2-CD1 3.92Å; T63-L67 HydrophobicContact CG2-CG 4.25Å; T63-L67 WeakPolarHBondContact O-CB 3.47Å; T63-L67 VanDerWaalsContact O-CG 3.3Å; T63-L67 WeakPolarHBondContact O-CG 3.36Å; T63-L67 PolarHBondContact O-N 2.81Å; H64-L67 PolarHBondContact O-N 3.29Å; L67-L71 VanDerWaalsContact O-CB 3.32Å; L67-L71 WeakPolarHBondContact O-CB 3.43Å; L67-L71 WeakPolarHBondContact O-CG 3.33Å; L67-L71 PolarHBondContact O-N 2.97Å; L67-I83 HydrophobicContact CD2-CG2 3.83Å; L67-V85 HydrophobicContact CD2-CG2 4.07Å; L67-I95 HydrophobicContact CD2-CG1 4.16Å; L67-I101 HydrophobicContact CB-CG1 4.1Å; L67-I101 HydrophobicContact CD1-CD1 4.07Å; L67-I101 HydrophobicContact CD1-CG1 4.41Å; L67-F108 HydrophobicContact CD1-CE2 4.04Å
68L98.7Very high98.2Very high21 Ų2134.4 Ų34.411%0.1117%0.174CC..Hα-helixtrans-60.8-47.9173.7-71.1175.9000111.3H64 Q65 S66 D72 I101H64-L68 WeakPolarHBondContact O-CG 3.28Å; H64-L68 PolarHBondContact O-N 3.29Å; Q65-L68 PolarHBondContact O-N 2.93Å; S66-L68 VanDerWaalsContact C-N 3.34Å; S66-L68 PolarHBondContact O-N 3.39Å; L68-D72 VanDerWaalsContact O-CB 3.27Å; L68-D72 WeakPolarHBondContact O-CB 3.49Å; L68-D72 VanDerWaalsContact O-CG 3.32Å; L68-D72 PolarHBondContact O-N 3.22Å; L68-D72 VanDerWaalsContact O-N 3.1Å; L68-I101 HydrophobicContact CD2-CB 4.13Å; L68-I101 HydrophobicContact CD2-CG2 3.87Å; L68-I101 HydrophobicContact CG-CG2 4.26Å
69M98.5Very high98.2Very high78 Ų7835.5 Ų35.538%0.38419%0.19SC..Hα-helixtrans-63.3-42.9178.9-66.5-59.59400112.5Q65 S66 S73 A202Q65-M69 WeakPolarHBondContact O-CG 3.45Å; Q65-M69 PolarHBondContact O-N 2.83Å; S66-M69 PolarHBondContact O-N 3.35Å; M69-S73 PolarHBondContact O-N 2.9Å; M69-A202 HydrophobicContact CG-CB 3.86Å
70L98.8Very high98.1Very high0 Ų033.2 Ų33.20%018%0.184CC..Hα-helixtrans-66.1-48179.8-71.7169.5000112.1V20 L22 S66 S73 N76 L81 I83 C205V20-L70 HydrophobicContact CB-CD1 4.33Å; V20-L70 HydrophobicContact CB-CD2 4.1Å; V20-L70 HydrophobicContact CG1-CD1 3.87Å; V20-L70 HydrophobicContact CG1-CD2 4.01Å; V20-L70 HydrophobicContact CG2-CD2 3.88Å; L22-L70 HydrophobicContact CD1-CD1 4.28Å; L22-L70 HydrophobicContact CD2-CD1 4.16Å; L22-L70 HydrophobicContact CG-CD1 4.29Å; S66-L70 WeakPolarHBondContact O-CB 3.38Å; S66-L70 VanDerWaalsContact O-CG 3.25Å; S66-L70 WeakPolarHBondContact O-CG 3.32Å; S66-L70 PolarHBondContact O-N 3.36Å; L70-S73 WeakPolarHBondContact O-CB 3.37Å; L70-S73 PolarHBondContact O-N 3.33Å; L70-N76 WeakPolarHBondContact O-CB 3.25Å; L70-L81 HydrophobicContact CB-CD2 4.02Å; L70-L81 HydrophobicContact CD2-CD2 4.24Å; L70-L81 VanDerWaalsContact O-CD2 3.23Å; L70-L81 WeakPolarHBondContact O-CD2 3.35Å; L70-I83 HydrophobicContact CB-CD1 3.52Å; L70-I83 HydrophobicContact CB-CG1 4.27Å; L70-I83 HydrophobicContact CD1-CD1 4.09Å; L70-I83 HydrophobicContact CD1-CG1 4.19Å; L70-I83 HydrophobicContact CD1-CG2 3.99Å; L70-I83 HydrophobicContact CG-CD1 4.39Å; L70-C205 HydrophobicContact CD1-CB 4.46Å; L70-C205 HydrophobicContact CD2-CB 3.67Å; L70-C205 HydrophobicContact CG-CB 3.79Å
71L98.5Very high98.1Very high15 Ų1533.2 Ų33.28%0.07918%0.184CC..Hα-helixtrans-76.1-25.1-174.5-69.8165.6000113.4L67 S73 N76 I83 I95 I101L67-L71 VanDerWaalsContact O-CB 3.32Å; L67-L71 WeakPolarHBondContact O-CB 3.43Å; L67-L71 WeakPolarHBondContact O-CG 3.33Å; L67-L71 PolarHBondContact O-N 2.97Å; L71-S73 VanDerWaalsContact C-N 3.31Å; L71-N76 PolarHBondContact O-ND2 3.41Å; L71-I83 HydrophobicContact CD2-CD1 3.69Å; L71-I83 HydrophobicContact CG-CD1 3.81Å; L71-I95 HydrophobicContact CD1-CG2 4.35Å; L71-I95 HydrophobicContact CD2-CG2 4.35Å; L71-I101 HydrophobicContact CD1-CB 4.2Å; L71-I101 HydrophobicContact CD1-CD1 4.42Å; L71-I101 HydrophobicContact CD1-CG1 3.32Å
72D97.6Very high98.1Very high62 Ų6233.3 Ų33.333%0.33218%0.184SC..Hα-helixtrans-79.3-14.6175.5-77.6-16.5000113.7L68 K77 R103L68-D72 VanDerWaalsContact O-CB 3.27Å; L68-D72 WeakPolarHBondContact O-CB 3.49Å; L68-D72 VanDerWaalsContact O-CG 3.32Å; L68-D72 PolarHBondContact O-N 3.22Å; L68-D72 VanDerWaalsContact O-N 3.1Å; D72-K77 VanDerWaalsContact O-CE 3.31Å; D72-K77 WeakPolarHBondContact O-CE 3.3Å; D72-K77 PolarHBondContact O-NZ 3.33Å; D72-R103 IonicContact OD1-CZ 3.16Å; D72-R103 IonicContact OD1-NH1 2.65Å; D72-R103 IonicContact OD1-NH2 3.69Å; D72-R103 PolarHBondContact OD1-NH2 2.7Å; D72-R103 IonicContact OD2-CZ 2.78Å; D72-R103 IonicContact OD2-NH1 3.1Å; D72-R103 PolarHBondContact OD2-NH1 3.36Å; D72-R103 IonicContact OD2-NH2 3.4Å; D72-R103 PolarHBondContact OD2-NH2 2.95Å
73S98.4Very high98.1Very high10 Ų1032.5 Ų32.57%0.0718%0.179CC..SBendtrans-66.9145.5-172.2110.30000112.1M69 L70 L71 L75 N76 K77 C209 E213M69-S73 PolarHBondContact O-N 2.9Å; L70-S73 WeakPolarHBondContact O-CB 3.37Å; L70-S73 PolarHBondContact O-N 3.33Å; L71-S73 VanDerWaalsContact C-N 3.31Å; S73-L75 PolarHBondContact O-N 3.43Å; S73-L75 VanDerWaalsContact OG-CB 3.26Å; S73-L75 WeakPolarHBondContact OG-CB 3.45Å; S73-L75 PolarHBondContact OG-N 2.98Å; S73-N76 PolarHBondContact O-N 3.49Å; S73-N76 VanDerWaalsContact O-N 3.07Å; S73-N76 PolarHBondContact OG-N 3.27Å; S73-K77 PolarHBondContact O-N 3.42Å; S73-C209 PolarHBondContact OG-SG 3.24Å; S73-E213 WeakPolarHBondContact CB-OE1 3.42Å; S73-E213 PolarHBondContact OG-OE1 3.09Å
74P98.4Very high98.1Very high53 Ų5332.8 Ų32.834%0.34418%0.181SC..Hα-helixtrans-48.9-37.4169.6-28.433.4000113.6N76 K77 A78 E213 I218P74-N76 VanDerWaalsContact C-N 3.34Å; P74-N76 PolarHBondContact O-N 3Å; P74-K77 CarbonylContact O-C 3.46Å; P74-K77 WeakPolarHBondContact O-CB 3.46Å; P74-K77 PolarHBondContact O-N 3.06Å; P74-K77 VanDerWaalsContact O-N 3.13Å; P74-A78 WeakPolarHBondContact O-CB 3.37Å; P74-A78 PolarHBondContact O-N 2.93Å; P74-E213 HydrophobicContact CB-CG 4.16Å; P74-E213 WeakPolarHBondContact CD-OE1 3.24Å; P74-I218 HydrophobicContact CB-CG2 3.82Å
75L98.1Very high98.1Very high0 Ų032.3 Ų32.30%018%0.179CC..Hα-helixtrans-58-42.2176.3-162.563.6000113.2L18 S73 A78 G79 L80 L81 F212 E213 W216 I218L18-L75 HydrophobicContact CB-CD2 3.85Å; L18-L75 HydrophobicContact CD2-CD2 3.55Å; L18-L75 HydrophobicContact CG-CD2 4.32Å; S73-L75 PolarHBondContact O-N 3.43Å; S73-L75 VanDerWaalsContact OG-CB 3.26Å; S73-L75 WeakPolarHBondContact OG-CB 3.45Å; S73-L75 PolarHBondContact OG-N 2.98Å; L75-A78 PolarHBondContact O-N 2.86Å; L75-G79 PolarHBondContact O-N 3.1Å; L75-L80 HydrophobicContact CD1-CB 3.8Å; L75-L80 HydrophobicContact CD1-CD1 4.46Å; L75-L80 HydrophobicContact CG-CB 4.29Å; L75-L80 PolarHBondContact O-N 3.31Å; L75-L81 HydrophobicContact CD2-CD1 4.3Å; L75-L81 HydrophobicContact CG-CB 4.27Å; L75-F212 HydrophobicContact CD1-CB 4.28Å; L75-F212 HydrophobicContact CD2-CB 3.9Å; L75-E213 HydrophobicContact CB-CG 3.75Å; L75-E213 WeakPolarHBondContact CB-OE1 3.32Å; L75-E213 HydrophobicContact CD1-CG 4.33Å; L75-E213 PolarHBondContact N-OE1 3.37Å; L75-W216 HydrophobicContact CD1-CE3 3.69Å; L75-W216 HydrophobicContact CD1-CZ3 3.81Å; L75-I218 HydrophobicContact CD1-CD1 3.3Å
76N98.3Very high98.1Very high17 Ų1729.7 Ų29.79%0.09117%0.165CC..Hα-helixtrans-67.4-41.6175.3-173.357.6000111.4L70 L71 S73 P74 A78 G79 L81 P97L70-N76 WeakPolarHBondContact O-CB 3.25Å; L71-N76 PolarHBondContact O-ND2 3.41Å; S73-N76 PolarHBondContact O-N 3.49Å; S73-N76 VanDerWaalsContact O-N 3.07Å; S73-N76 PolarHBondContact OG-N 3.27Å; P74-N76 VanDerWaalsContact C-N 3.34Å; P74-N76 PolarHBondContact O-N 3Å; N76-A78 VanDerWaalsContact C-N 3.29Å; N76-A78 PolarHBondContact O-N 3.09Å; N76-G79 PolarHBondContact O-N 2.82Å; N76-L81 HydrophobicContact CB-CB 4.16Å; N76-L81 HydrophobicContact CB-CD2 3.89Å; N76-P97 PolarHBondContact ND2-O 2.84Å
77K97.3Very high98Very high162 Ų16229.8 Ų29.870%0.70417%0.165SC*.Hα-helixtrans-64.3-34.1177.7-63.5174.8-174.81690112.4D72 S73 P74 G79D72-K77 VanDerWaalsContact O-CE 3.31Å; D72-K77 WeakPolarHBondContact O-CE 3.3Å; D72-K77 PolarHBondContact O-NZ 3.33Å; S73-K77 PolarHBondContact O-N 3.42Å; P74-K77 CarbonylContact O-C 3.46Å; P74-K77 WeakPolarHBondContact O-CB 3.46Å; P74-K77 PolarHBondContact O-N 3.06Å; P74-K77 VanDerWaalsContact O-N 3.13Å; K77-G79 PolarHBondContact O-N 3.14Å
78A96.8Very high97.9Very high53 Ų5331.3 Ų31.344%0.43818%0.178SC..THydrogen-bonded Turntrans-72.8-5.9172.900000113.2P74 L75 N76 L80 I218P74-A78 WeakPolarHBondContact O-CB 3.37Å; P74-A78 PolarHBondContact O-N 2.93Å; L75-A78 PolarHBondContact O-N 2.86Å; N76-A78 VanDerWaalsContact C-N 3.29Å; N76-A78 PolarHBondContact O-N 3.09Å; A78-L80 VanDerWaalsContact C-N 3.27Å; A78-L80 HydrophobicContact CB-CD1 4.14Å; A78-L80 HydrophobicContact CB-CG 4.2Å; A78-L80 PolarHBondContact O-N 3.24Å; A78-I218 HydrophobicContact CB-CD1 4.1Å; A78-I218 HydrophobicContact CB-CG2 4.18Å
79G95.9Very high97.7Very high36 Ų3637 Ų3737%0.37120%0.198SC..THydrogen-bonded Turntrans75.114-17900000113.9K17 L75 N76 K77K17-G79 PolarHBondContact NZ-O 2.88Å; L75-G79 PolarHBondContact O-N 3.1Å; N76-G79 PolarHBondContact O-N 2.82Å; K77-G79 PolarHBondContact O-N 3.14Å
80L96.8Very high97.5Very high39 Ų3938.1 Ų38.120%0.20420%0.2CC..  trans-99.11.7-174.9-60.9173.6000113.3K16 K17 L18 L75 A78 W216 I218K16-L80 HydrophobicContact CB-CD2 4.19Å; K16-L80 VanDerWaalsContact O-CD2 3.23Å; K16-L80 WeakPolarHBondContact O-CD2 3.41Å; K17-L80 WeakPolarHBondContact CA-O 3.03Å; K17-L80 WeakPolarHBondContact CD-O 3.24Å; L18-L80 PolarHBondContact N-O 3.15Å; L75-L80 HydrophobicContact CD1-CB 3.8Å; L75-L80 HydrophobicContact CD1-CD1 4.46Å; L75-L80 HydrophobicContact CG-CB 4.29Å; L75-L80 PolarHBondContact O-N 3.31Å; A78-L80 VanDerWaalsContact C-N 3.27Å; A78-L80 HydrophobicContact CB-CD1 4.14Å; A78-L80 HydrophobicContact CB-CG 4.2Å; A78-L80 PolarHBondContact O-N 3.24Å; L80-W216 HydrophobicContact CB-CE3 4.35Å; L80-W216 HydrophobicContact CB-CZ3 4.06Å; L80-W216 HydrophobicContact CD1-CE3 4Å; L80-W216 HydrophobicContact CD1-CZ3 4.48Å; L80-I218 HydrophobicContact CD1-CD1 3.64Å; L80-I218 HydrophobicContact CD1-CG1 4.38Å
81L97.9Very high97.5Very high0 Ų039.2 Ų39.20%021%0.209CC..EExtended strand (participates in β ladder)trans-104.6140.6175.6-173.363.2000111.7K17 L18 V20 L70 L75 N76 I83K17-L81 VanDerWaalsContact CE-O 3.25Å; K17-L81 WeakPolarHBondContact CE-O 3.42Å; K17-L81 PolarHBondContact NZ-O 3.42Å; K17-L81 VanDerWaalsContact NZ-O 3.09Å; L18-L81 HydrophobicContact CB-CD1 4.21Å; L18-L81 HydrophobicContact CD2-CD1 3.94Å; L18-L81 HydrophobicContact CG-CD1 4Å; L18-L81 CarbonylContact O-C 3.58Å; L18-L81 WeakPolarHBondContact O-CA 3.27Å; V20-L81 HydrophobicContact CB-CD1 4.44Å; V20-L81 HydrophobicContact CG2-CD1 3.84Å; L70-L81 HydrophobicContact CB-CD2 4.02Å; L70-L81 HydrophobicContact CD2-CD2 4.24Å; L70-L81 VanDerWaalsContact O-CD2 3.23Å; L70-L81 WeakPolarHBondContact O-CD2 3.35Å; L75-L81 HydrophobicContact CD2-CD1 4.3Å; L75-L81 HydrophobicContact CG-CB 4.27Å; N76-L81 HydrophobicContact CB-CB 4.16Å; N76-L81 HydrophobicContact CB-CD2 3.89Å; L81-I83 HydrophobicContact CD1-CG1 4.46Å; L81-I83 HydrophobicContact CD2-CD1 3.91Å; L81-I83 HydrophobicContact CD2-CG1 3.9Å; L81-I83 HydrophobicContact CG-CD1 4.43Å; L81-I83 HydrophobicContact CG-CG1 3.91Å
82Q97.9Very high97.5Very high28 Ų2838.5 Ų38.513%0.13121%0.206CC..EExtended strand (participates in β ladder)trans-128.7137.1163.9176.458.952.900108.5L18 I19 V20 F84 I95L18-Q82 PolarHBondContact O-N 2.86Å; I19-Q82 CarbonylContact C-O 3.53Å; I19-Q82 WeakPolarHBondContact CA-O 3.18Å; I19-Q82 HydrophobicContact CG1-CB 4.07Å; V20-Q82 PolarHBondContact N-O 3.11Å; Q82-F84 HydrophobicContact CG-CD2 4.23Å; Q82-F84 HydrophobicContact CG-CE2 3.53Å; Q82-F84 HydrophobicContact CG-CZ 3.9Å; Q82-I95 PolarHBondContact NE2-O 2.79Å
83I98.7Very high97.5Very high3 Ų335.6 Ų35.62%0.01519%0.19CC..EExtended strand (participates in β ladder)trans-121133.3-176.7-51.7164.5000109.4V20 L67 L70 L71 L81 I95V20-I83 WeakPolarHBondContact O-CA 3.44Å; L67-I83 HydrophobicContact CD2-CG2 3.83Å; L70-I83 HydrophobicContact CB-CD1 3.52Å; L70-I83 HydrophobicContact CB-CG1 4.27Å; L70-I83 HydrophobicContact CD1-CD1 4.09Å; L70-I83 HydrophobicContact CD1-CG1 4.19Å; L70-I83 HydrophobicContact CD1-CG2 3.99Å; L70-I83 HydrophobicContact CG-CD1 4.39Å; L71-I83 HydrophobicContact CD2-CD1 3.69Å; L71-I83 HydrophobicContact CG-CD1 3.81Å; L81-I83 HydrophobicContact CD1-CG1 4.46Å; L81-I83 HydrophobicContact CD2-CD1 3.91Å; L81-I83 HydrophobicContact CD2-CG1 3.9Å; L81-I83 HydrophobicContact CG-CD1 4.43Å; L81-I83 HydrophobicContact CG-CG1 3.91Å; I83-I95 HydrophobicContact CB-CB 4.15Å; I83-I95 HydrophobicContact CB-CG1 4.4Å; I83-I95 HydrophobicContact CG2-CG1 4.24Å; I83-I95 PolarHBondContact O-N 3.41Å; I83-I95 VanDerWaalsContact O-N 3.12Å
84F98.7Very high97.5Very high7 Ų737.3 Ų37.33%0.03120%0.197CC..EExtended strand (participates in β ladder)trans-120.7147.3165.2-62.7-81.7000109.8I19 V20 I21 L22 Q82 I92 I93 E94 I134 I138 Y141I19-F84 HydrophobicContact CG2-CD2 3.73Å; I19-F84 HydrophobicContact CG2-CE2 3.84Å; V20-F84 PolarHBondContact O-N 2.77Å; I21-F84 CarbonylContact C-O 3.59Å; I21-F84 WeakPolarHBondContact CA-O 3.47Å; I21-F84 HydrophobicContact CG1-CB 4.37Å; L22-F84 PolarHBondContact N-O 2.83Å; Q82-F84 HydrophobicContact CG-CD2 4.23Å; Q82-F84 HydrophobicContact CG-CE2 3.53Å; Q82-F84 HydrophobicContact CG-CZ 3.9Å; F84-I92 HydrophobicContact CD1-CG2 4.2Å; F84-I93 CarbonylContact C-O 3.51Å; F84-I93 VanDerWaalsContact CA-O 3.3Å; F84-I93 WeakPolarHBondContact CA-O 3.42Å; F84-E94 HydrophobicContact CD1-CB 4.11Å; F84-E94 HydrophobicContact CD1-CG 4.35Å; F84-E94 HydrophobicContact CE1-CB 3.9Å; F84-E94 HydrophobicContact CE1-CG 3.76Å; F84-I134 HydrophobicContact CD1-CD1 3.83Å; F84-I134 HydrophobicContact CE1-CD1 3.61Å; F84-I138 HydrophobicContact CB-CD1 4.01Å; F84-Y141 HydrophobicContact CE1-CG 4.42Å; F84-Y141 HydrophobicContact CZ-CG 4.45Å
85V98.8Very high97.5Very high1 Ų135 Ų351%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-119.6118.1171-175.30000107.9L22 A25 L27 T63 L67 I92 I93 I95L22-V85 HydrophobicContact CB-CB 4.45Å; L22-V85 HydrophobicContact CB-CG1 4.21Å; L22-V85 HydrophobicContact CB-CG2 4.19Å; L22-V85 HydrophobicContact CD1-CG2 4.15Å; L22-V85 CarbonylContact O-C 3.53Å; L22-V85 WeakPolarHBondContact O-CA 3.31Å; A25-V85 HydrophobicContact CB-CG1 3.29Å; L27-V85 HydrophobicContact CD1-CG1 4.03Å; T63-V85 HydrophobicContact CG2-CG1 4.02Å; T63-V85 HydrophobicContact CG2-CG2 4.45Å; L67-V85 HydrophobicContact CD2-CG2 4.07Å; V85-I92 CarbonylContact O-C 3.6Å; V85-I92 WeakPolarHBondContact O-CA 3.16Å; V85-I93 HydrophobicContact CB-CB 4.18Å; V85-I93 HydrophobicContact CB-CD1 4.44Å; V85-I93 PolarHBondContact N-O 3.33Å; V85-I93 PolarHBondContact O-N 3.05Å; V85-I95 HydrophobicContact CG2-CD1 4.45Å; V85-I95 HydrophobicContact CG2-CG1 4.22Å
86R98.1Very high97.5Very high38 Ų3837.8 Ų37.814%0.14320%0.195CC..EExtended strand (participates in β ladder)trans-102.6115172.3-169.6170.4179.4-152.213108.8L22 E23 N24 A25 A91 I92 I138L22-R86 PolarHBondContact O-N 2.87Å; E23-R86 CarbonylContact C-O 3.54Å; E23-R86 WeakPolarHBondContact OE1-CD 3.37Å; E23-R86 WeakPolarHBondContact OE1-CG 3.1Å; E23-R86 WeakPolarHBondContact OE2-CD 3.33Å; E23-R86 IonicContact OE2-CZ 2.7Å; E23-R86 IonicContact OE2-NH1 2.98Å; E23-R86 PolarHBondContact OE2-NH1 3Å; N24-R86 PolarHBondContact N-O 2.9Å; A25-R86 PolarHBondContact N-O 3.12Å; R86-A91 WeakPolarHBondContact CA-O 3.43Å; R86-I92 HydrophobicContact CG-CG1 4.17Å; R86-I138 HydrophobicContact CB-CD1 4.27Å
87T97.6Very high97.4Very high2 Ų238.5 Ų38.51%0.01220%0.2CC..EExtended strand (participates in β ladder)trans-74.9162.7-175.573.40000111.6A25 L27 R89 K90 A91 I93A25-T87 CarbonylContact O-C 3.5Å; A25-T87 WeakPolarHBondContact O-CA 3.26Å; A25-T87 WeakPolarHBondContact O-CB 3.49Å; L27-T87 HydrophobicContact CB-CG2 3.9Å; L27-T87 HydrophobicContact CD1-CG2 4.42Å; T87-R89 PolarHBondContact O-N 2.69Å; T87-R89 VanDerWaalsContact O-N 3.15Å; T87-R89 PolarHBondContact OG1-N 3.43Å; T87-K90 WeakPolarHBondContact O-CA 3.48Å; T87-K90 PolarHBondContact O-N 2.84Å; T87-K90 PolarHBondContact OG1-N 3.43Å; T87-A91 HydrophobicContact CG2-CB 4.22Å; T87-A91 PolarHBondContact N-O 3.07Å; T87-A91 PolarHBondContact OG1-N 3.39Å; T87-A91 VanDerWaalsContact OG1-N 3.11Å; T87-I93 HydrophobicContact CG2-CD1 4.16Å
88A95.2Very high97.3Very high32 Ų3236.7 Ų36.726%0.26419%0.194SC..THydrogen-bonded Turntrans-56.4-28.217000000112.5N24 A25 Q26 K90N24-A88 WeakPolarHBondContact OD1-CA 3.48Å; N24-A88 WeakPolarHBondContact OD1-CB 3.46Å; A25-A88 PolarHBondContact O-N 2.87Å; Q26-A88 VanDerWaalsContact NE2-CB 3.34Å; A88-K90 PolarHBondContact O-N 3.09Å
89R94.8Very high97.4Very high141 Ų14134.5 Ų34.553%0.53218%0.176SC..THydrogen-bonded Turntrans-8512.7172.3-61.2-65.7-176.1-176.5-4.1113.8E28 R53 T87 A91E28-R89 IonicContact OE1-CZ 2.72Å; E28-R89 IonicContact OE1-NE 3.17Å; E28-R89 IonicContact OE1-NH2 2.89Å; E28-R89 PolarHBondContact OE1-NH2 3Å; E28-R89 IonicContact OE2-CZ 3.91Å; E28-R89 IonicContact OE2-NE 2.99Å; E28-R89 PolarHBondContact OE2-NE 2.96Å; E28-R89 IonicContact OE2-NH2 3.91Å; E28-R89 PolarHBondContact OE2-NH2 3.28Å; R53-R89 VanDerWaalsContact NH1-NH2 3.18Å; T87-R89 PolarHBondContact O-N 2.69Å; T87-R89 VanDerWaalsContact O-N 3.15Å; T87-R89 PolarHBondContact OG1-N 3.43Å; R89-A91 PolarHBondContact O-N 2.88Å; R89-A91 VanDerWaalsContact O-N 3.14Å
90K95.2Very high97.4Very high101 Ų10143.8 Ų43.844%0.43920%0.199SC..  trans60.817.5176.9-51.1-59.1-177.7-178.40115.1T87 A88 N136T87-K90 WeakPolarHBondContact O-CA 3.48Å; T87-K90 PolarHBondContact O-N 2.84Å; T87-K90 PolarHBondContact OG1-N 3.43Å; A88-K90 PolarHBondContact O-N 3.09Å; K90-N136 PolarHBondContact O-ND2 3.05Å
91A97.9Very high97.4Very high23 Ų2342.6 Ų42.619%0.1919%0.193CC..  trans-72.6135.3166.300000108.6R86 T87 R89 I133R86-A91 WeakPolarHBondContact CA-O 3.43Å; T87-A91 HydrophobicContact CG2-CB 4.22Å; T87-A91 PolarHBondContact N-O 3.07Å; T87-A91 PolarHBondContact OG1-N 3.39Å; T87-A91 VanDerWaalsContact OG1-N 3.11Å; R89-A91 PolarHBondContact O-N 2.88Å; R89-A91 VanDerWaalsContact O-N 3.14Å; A91-I133 HydrophobicContact CB-CG2 4.47Å
92I98.6Very high97.4Very high0 Ų044 Ų440%020%0.202CC..EExtended strand (participates in β ladder)trans-103.4126.5175.2-57.2160.1000107.5F84 V85 R86 I133 I134 N136 I138F84-I92 HydrophobicContact CD1-CG2 4.2Å; V85-I92 CarbonylContact O-C 3.6Å; V85-I92 WeakPolarHBondContact O-CA 3.16Å; R86-I92 HydrophobicContact CG-CG1 4.17Å; I92-I133 CarbonylContact O-C 3.39Å; I92-I133 VanDerWaalsContact O-CA 3.25Å; I92-I133 WeakPolarHBondContact O-CA 3.49Å; I92-I134 HydrophobicContact CB-CD1 4.41Å; I92-I134 HydrophobicContact CB-CG1 3.77Å; I92-I134 HydrophobicContact CG2-CD1 3.63Å; I92-I134 HydrophobicContact CG2-CG1 3.51Å; I92-I134 PolarHBondContact O-N 3.31Å; I92-N136 HydrophobicContact CD1-CB 4.29Å; I92-N136 VanDerWaalsContact CD1-OD1 3.32Å; I92-N136 WeakPolarHBondContact CD1-OD1 3.25Å; I92-I138 HydrophobicContact CD1-CB 3.62Å; I92-I138 HydrophobicContact CD1-CG1 4.24Å; I92-I138 HydrophobicContact CG1-CB 4.24Å; I92-I138 HydrophobicContact CG1-CD1 4.45Å; I92-I138 HydrophobicContact CG2-CD1 4.01Å; I92-I138 HydrophobicContact CG2-CG1 4.22Å
93I98.7Very high97.4Very high1 Ų149.9 Ų49.91%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-109.1120.2175.5-56.8162.7000107.6L27 F84 V85 T87 I95 L115 M131 K132 I133L27-I93 HydrophobicContact CD1-CD1 3.75Å; F84-I93 CarbonylContact C-O 3.51Å; F84-I93 VanDerWaalsContact CA-O 3.3Å; F84-I93 WeakPolarHBondContact CA-O 3.42Å; V85-I93 HydrophobicContact CB-CB 4.18Å; V85-I93 HydrophobicContact CB-CD1 4.44Å; V85-I93 PolarHBondContact N-O 3.33Å; V85-I93 PolarHBondContact O-N 3.05Å; T87-I93 HydrophobicContact CG2-CD1 4.16Å; I93-I95 HydrophobicContact CG2-CD1 3.53Å; I93-I95 HydrophobicContact CG2-CG1 4.44Å; I93-L115 HydrophobicContact CD1-CD2 3.86Å; I93-L115 HydrophobicContact CG1-CD2 4.13Å; I93-L115 HydrophobicContact CG2-CD2 3.64Å; I93-M131 HydrophobicContact CG2-CB 4.36Å; I93-K132 CarbonylContact C-O 3.57Å; I93-K132 WeakPolarHBondContact CA-O 3.2Å; I93-I133 HydrophobicContact CG1-CG1 4.23Å
94E98.6Very high97.4Very high47 Ų4752.9 Ų52.922%0.2224%0.242CC..EExtended strand (participates in β ladder)trans-82.8128.2165.8-175.7177-170.400108.9Q8 F84 M131 K132 I134Q8-E94 PolarHBondContact NE2-OE2 3.12Å; Q8-E94 VanDerWaalsContact NE2-OE2 3.1Å; F84-E94 HydrophobicContact CD1-CB 4.11Å; F84-E94 HydrophobicContact CD1-CG 4.35Å; F84-E94 HydrophobicContact CE1-CB 3.9Å; F84-E94 HydrophobicContact CE1-CG 3.76Å; E94-M131 VanDerWaalsContact O-CA 3.3Å; E94-M131 WeakPolarHBondContact O-CA 3.25Å; E94-K132 PolarHBondContact N-O 3.21Å; E94-K132 PolarHBondContact O-N 3.19Å; E94-I134 HydrophobicContact CB-CD1 4Å; E94-I134 HydrophobicContact CB-CG1 4.48Å; E94-I134 HydrophobicContact CB-CG2 4.1Å
95I98.6Very high97.4Very high3 Ų354.2 Ų54.22%0.01525%0.247CC..EExtended strand (participates in β ladder)trans-107.8122.4176-49.2-66000108.4L67 L71 Q82 I83 V85 I93 T99 M131L67-I95 HydrophobicContact CD2-CG1 4.16Å; L71-I95 HydrophobicContact CD1-CG2 4.35Å; L71-I95 HydrophobicContact CD2-CG2 4.35Å; Q82-I95 PolarHBondContact NE2-O 2.79Å; I83-I95 HydrophobicContact CB-CB 4.15Å; I83-I95 HydrophobicContact CB-CG1 4.4Å; I83-I95 HydrophobicContact CG2-CG1 4.24Å; I83-I95 PolarHBondContact O-N 3.41Å; I83-I95 VanDerWaalsContact O-N 3.12Å; V85-I95 HydrophobicContact CG2-CD1 4.45Å; V85-I95 HydrophobicContact CG2-CG1 4.22Å; I93-I95 HydrophobicContact CG2-CD1 3.53Å; I93-I95 HydrophobicContact CG2-CG1 4.44Å; I95-T99 HydrophobicContact CG2-CG2 4.22Å; I95-M131 HydrophobicContact CD1-CB 4.35Å; I95-M131 HydrophobicContact CD1-CG 3.63Å; I95-M131 HydrophobicContact CD1-SD 3.66Å; I95-M131 HydrophobicContact CG2-CG 4.47Å
96H97.6Very high97.4Very high59 Ų5960.6 Ų60.627%0.27328%0.276SS..  trans-72.2139175.4-169.8-90.8000110.1Q98 T99 Q128 L130H96-Q98 PolarHBondContact CE1-OE1 3.13Å; H96-Q98 PolarHBondContact ND1-N 2.84Å; H96-Q98 PolarHBondContact O-N 3.4Å; H96-Q98 VanDerWaalsContact O-N 3.08Å; H96-T99 WeakPolarHBondContact O-CB 3.34Å; H96-T99 PolarHBondContact O-N 3.42Å; H96-T99 PolarHBondContact O-OG1 3.49Å; H96-Q128 PolarHBondContact CE1-NE2 3.21Å; H96-Q128 PolarHBondContact NE2-NE2 3.24Å; H96-L130 WeakPolarHBondContact CB-O 3.4Å; H96-L130 PolarHBondContact N-O 2.97Å
97P96.7Very high97.4Very high32 Ų3267.7 Ų67.721%0.20830%0.303CS..THydrogen-bonded Turntrans-56.3-28.3-177.9-29.636.5000115.4N76 T99N76-P97 PolarHBondContact ND2-O 2.84Å; P97-T99 VanDerWaalsContact C-N 3.28Å; P97-T99 PolarHBondContact O-N 2.82Å
98Q95.4Very high97.4Very high125 Ų12567.6 Ų67.658%0.58430%0.302SS*.THydrogen-bonded Turntrans-82.81.4177.2-62.4177.5-37.600113.9H96 R100 Q128H96-Q98 PolarHBondContact CE1-OE1 3.13Å; H96-Q98 PolarHBondContact ND1-N 2.84Å; H96-Q98 PolarHBondContact O-N 3.4Å; H96-Q98 VanDerWaalsContact O-N 3.08Å; Q98-R100 PolarHBondContact O-N 3.5Å; Q98-Q128 VanDerWaalsContact OE1-OE1 3.05Å
99T97.4Very high97.6Very high7 Ų766.8 Ų66.84%0.04330%0.296CS..  trans-63.5128.6178-58.50000110.3I95 H96 P97 I101 L130 M131I95-T99 HydrophobicContact CG2-CG2 4.22Å; H96-T99 WeakPolarHBondContact O-CB 3.34Å; H96-T99 PolarHBondContact O-N 3.42Å; H96-T99 PolarHBondContact O-OG1 3.49Å; P97-T99 VanDerWaalsContact C-N 3.28Å; P97-T99 PolarHBondContact O-N 2.82Å; T99-I101 HydrophobicContact CG2-CD1 3.96Å; T99-I101 HydrophobicContact CG2-CG1 4.27Å; T99-L130 HydrophobicContact CG2-CB 4.47Å; T99-L130 PolarHBondContact OG1-O 3.06Å; T99-M131 HydrophobicContact CG2-CE 4.29Å; T99-M131 HydrophobicContact CG2-CG 4.04Å; T99-M131 HydrophobicContact CG2-SD 4.16Å
100R95.5Very high97.7Very high231 Ų23162 Ų6287%0.87229%0.291SS*.  trans-99.9103.1170.7-65.5-173.6-179.4-148.31109.6Q98Q98-R100 PolarHBondContact O-N 3.5Å
101I97.9Very high97.9Very high13 Ų1358.7 Ų58.77%0.06728%0.278CS..  trans-71.7130.8176.3-68.1-66.9000109.6L67 L68 L71 T99 R103 F108 M131L67-I101 HydrophobicContact CB-CG1 4.1Å; L67-I101 HydrophobicContact CD1-CD1 4.07Å; L67-I101 HydrophobicContact CD1-CG1 4.41Å; L68-I101 HydrophobicContact CD2-CB 4.13Å; L68-I101 HydrophobicContact CD2-CG2 3.87Å; L68-I101 HydrophobicContact CG-CG2 4.26Å; L71-I101 HydrophobicContact CD1-CB 4.2Å; L71-I101 HydrophobicContact CD1-CD1 4.42Å; L71-I101 HydrophobicContact CD1-CG1 3.32Å; T99-I101 HydrophobicContact CG2-CD1 3.96Å; T99-I101 HydrophobicContact CG2-CG1 4.27Å; I101-R103 PolarHBondContact O-N 3.16Å; I101-F108 HydrophobicContact CG2-CD2 3.91Å; I101-F108 HydrophobicContact CG2-CE2 4.47Å; I101-M131 HydrophobicContact CD1-SD 4.21Å
102P98.3Very high97.9Very high29 Ų2957.7 Ų57.719%0.18827%0.269CS..  trans-56.6137.4177.4-25.834.1000111.8H64 R107 F108 L111H64-P102 PolarHBondContact NE2-O 2.8Å; P102-R107 HydrophobicContact CB-CB 3.54Å; P102-R107 HydrophobicContact CG-CB 4.13Å; P102-F108 HydrophobicContact CB-CB 4.46Å; P102-L111 VanDerWaalsContact CD-CD2 3.49Å; P102-L111 HydrophobicContact CG-CD2 3.85Å
103R98.1Very high97.9Very high153 Ų15358.6 Ų58.658%0.57728%0.275SS*.SBendtrans-71.9-30.9-178.9-62.9-63-176.3167.9-6.8113.4H64 D72 I101H64-R103 PolarHBondContact CE1-O 2.97Å; D72-R103 IonicContact OD1-CZ 3.16Å; D72-R103 IonicContact OD1-NH1 2.65Å; D72-R103 IonicContact OD1-NH2 3.69Å; D72-R103 PolarHBondContact OD1-NH2 2.7Å; D72-R103 IonicContact OD2-CZ 2.78Å; D72-R103 IonicContact OD2-NH1 3.1Å; D72-R103 PolarHBondContact OD2-NH1 3.36Å; D72-R103 IonicContact OD2-NH2 3.4Å; D72-R103 PolarHBondContact OD2-NH2 2.95Å; I101-R103 PolarHBondContact O-N 3.16Å
104T98.3Very high97.8Very high66 Ų6662.4 Ų62.441%0.40529%0.292SS..SBendtrans-89.8140.4176.167.20000110.6E106 R107 F108T104-E106 VanDerWaalsContact C-N 3.3Å; T104-E106 PolarHBondContact O-N 3.2Å; T104-R107 PolarHBondContact O-N 2.76Å; T104-R107 WeakPolarHBondContact OG1-CG 3.3Å; T104-F108 PolarHBondContact O-N 3.4Å; T104-F108 VanDerWaalsContact O-N 3.09Å
105Y98Very high97.8Very high35 Ų3560.1 Ų60.114%0.13728%0.282CS..Hα-helixtrans-62.3-37.3-176.6170.7-100.1000112A40 H42 P60 D61 R107 F108 A109A40-Y105 WeakPolarHBondContact CB-OH 2.67Å; H42-Y105 AromaticContact CE1-CE1 3.53Å; H42-Y105 AromaticContact CE1-CZ 3.88Å; H42-Y105 AromaticContact NE2-CE1 3.58Å; P60-Y105 HydrophobicContact CB-CE2 4.24Å; P60-Y105 HydrophobicContact CG-CE2 3.87Å; P60-Y105 WeakPolarHBondContact CG-OH 3.36Å; D61-Y105 HydrophobicContact CB-CD2 4.2Å; D61-Y105 HydrophobicContact CB-CE2 4.22Å; Y105-R107 PolarHBondContact O-N 2.89Å; Y105-F108 HydrophobicContact CD2-CD1 4.19Å; Y105-F108 HydrophobicContact CE2-CD1 4.26Å; Y105-F108 CarbonylContact O-C 3.58Å; Y105-F108 WeakPolarHBondContact O-CB 3.49Å; Y105-F108 PolarHBondContact O-N 3.49Å; Y105-A109 HydrophobicContact CE1-CB 4.38Å; Y105-A109 WeakPolarHBondContact O-CB 3.49Å; Y105-A109 PolarHBondContact O-N 3.47Å
106E98Very high97.8Very high134 Ų13461.5 Ų61.563%0.62629%0.289SS*.Hα-helixtrans-64.5-40.8-178-63.168.1-151.600111.5T104 A109 G110T104-E106 VanDerWaalsContact C-N 3.3Å; T104-E106 PolarHBondContact O-N 3.2Å; E106-A109 PolarHBondContact O-N 3.22Å; E106-G110 PolarHBondContact O-N 3.17Å
107R98.3Very high97.8Very high187 Ų18764 Ų6471%0.70630%0.304SS*.Hα-helixtrans-70.8-39.2175.5-70.5-177.9-179.9-173.71.6111.1P102 T104 Y105 A109 G110 L111P102-R107 HydrophobicContact CB-CB 3.54Å; P102-R107 HydrophobicContact CG-CB 4.13Å; T104-R107 PolarHBondContact O-N 2.76Å; T104-R107 WeakPolarHBondContact OG1-CG 3.3Å; Y105-R107 PolarHBondContact O-N 2.89Å; R107-A109 VanDerWaalsContact C-N 3.34Å; R107-G110 PolarHBondContact O-N 3.32Å; R107-L111 WeakPolarHBondContact O-CB 3.14Å; R107-L111 PolarHBondContact O-N 3.03Å
108F98.6Very high97.8Very high0 Ų068.5 Ų68.50%032%0.321CS..Hα-helixtrans-59.5-45.7172166.7-98.2000111.3L27 L38 T63 H64 L67 I101 P102 T104 Y105 G110 L111 M112L27-F108 HydrophobicContact CD2-CE1 4.29Å; L27-F108 HydrophobicContact CD2-CZ 4.08Å; L38-F108 HydrophobicContact CD2-CE1 4.37Å; T63-F108 HydrophobicContact CG2-CZ 4.46Å; H64-F108 HydrophobicContact CB-CD1 3.66Å; H64-F108 HydrophobicContact CB-CD2 4.35Å; H64-F108 HydrophobicContact CB-CE1 3.63Å; H64-F108 HydrophobicContact CB-CE2 4.32Å; H64-F108 HydrophobicContact CB-CG 4.02Å; H64-F108 HydrophobicContact CB-CZ 3.96Å; H64-F108 AromaticContact CD2-CD2 3.68Å; H64-F108 AromaticContact CD2-CG 3.48Å; H64-F108 VanDerWaalsContact CD2-CG 3.48Å; H64-F108 WeakPolarHBondContact CD2-CG 3.41Å; H64-F108 AromaticContact CG-CD1 3.81Å; H64-F108 AromaticContact CG-CG 3.77Å; L67-F108 HydrophobicContact CD1-CE2 4.04Å; I101-F108 HydrophobicContact CG2-CD2 3.91Å; I101-F108 HydrophobicContact CG2-CE2 4.47Å; P102-F108 HydrophobicContact CB-CB 4.46Å; T104-F108 PolarHBondContact O-N 3.4Å; T104-F108 VanDerWaalsContact O-N 3.09Å; Y105-F108 HydrophobicContact CD2-CD1 4.19Å; Y105-F108 HydrophobicContact CE2-CD1 4.26Å; Y105-F108 CarbonylContact O-C 3.58Å; Y105-F108 WeakPolarHBondContact O-CB 3.49Å; Y105-F108 PolarHBondContact O-N 3.49Å; F108-G110 PolarHBondContact O-N 2.89Å; F108-L111 WeakPolarHBondContact O-CB 3.38Å; F108-L111 PolarHBondContact O-N 3.23Å; F108-M112 HydrophobicContact CD1-CG 4.31Å; F108-M112 HydrophobicContact CD2-CE 4.33Å; F108-M112 HydrophobicContact CD2-CG 4.1Å; F108-M112 HydrophobicContact CE1-CG 3.82Å; F108-M112 HydrophobicContact CE2-CE 3.94Å; F108-M112 HydrophobicContact CE2-CG 3.6Å; F108-M112 HydrophobicContact CE2-SD 3.82Å; F108-M112 HydrophobicContact CG-CG 4.45Å; F108-M112 HydrophobicContact CZ-CG 3.45Å; F108-M112 VanDerWaalsContact CZ-CG 3.45Å; F108-M112 HydrophobicContact CZ-SD 3.96Å; F108-M112 WeakPolarHBondContact O-CG 3.48Å; F108-M112 PolarHBondContact O-N 2.97Å
109A98.5Very high97.9Very high15 Ų1570.1 Ų70.112%0.12432%0.322CS..Hα-helixtrans-60.5-46.5178.900000111.5L38 Y105 E106 R107 L111 M112 V113L38-A109 HydrophobicContact CB-CB 4.11Å; L38-A109 HydrophobicContact CD2-CB 4.1Å; Y105-A109 HydrophobicContact CE1-CB 4.38Å; Y105-A109 WeakPolarHBondContact O-CB 3.49Å; Y105-A109 PolarHBondContact O-N 3.47Å; E106-A109 PolarHBondContact O-N 3.22Å; R107-A109 VanDerWaalsContact C-N 3.34Å; A109-L111 VanDerWaalsContact C-N 3.33Å; A109-L111 PolarHBondContact O-N 3.19Å; A109-M112 PolarHBondContact O-N 2.86Å; A109-V113 WeakPolarHBondContact O-CG2 3.36Å; A109-V113 PolarHBondContact O-N 2.85Å
110G98.1Very high97.9Very high42 Ų4271.9 Ų71.943%0.43333%0.334SS..Hα-helixtrans-59.4-41.9174.300000113E106 R107 F108 V113 Q114E106-G110 PolarHBondContact O-N 3.17Å; R107-G110 PolarHBondContact O-N 3.32Å; F108-G110 PolarHBondContact O-N 2.89Å; G110-V113 PolarHBondContact O-N 3.06Å; G110-Q114 PolarHBondContact O-N 3.1Å
111L98.2Very high98Very high31 Ų3161.4 Ų61.416%0.16230%0.295CS..Hα-helixtrans-63.3-42.4176.3179.563.6000112.3P102 R107 F108 A109 Q114 L115 I121 M131P102-L111 VanDerWaalsContact CD-CD2 3.49Å; P102-L111 HydrophobicContact CG-CD2 3.85Å; R107-L111 WeakPolarHBondContact O-CB 3.14Å; R107-L111 PolarHBondContact O-N 3.03Å; F108-L111 WeakPolarHBondContact O-CB 3.38Å; F108-L111 PolarHBondContact O-N 3.23Å; A109-L111 VanDerWaalsContact C-N 3.33Å; A109-L111 PolarHBondContact O-N 3.19Å; L111-Q114 PolarHBondContact O-N 3.37Å; L111-L115 WeakPolarHBondContact O-CB 3.41Å; L111-L115 PolarHBondContact O-N 3.24Å; L111-I121 HydrophobicContact CD1-CD1 4.06Å; L111-I121 HydrophobicContact CD1-CG1 4Å; L111-I121 HydrophobicContact CD1-CG2 3.99Å; L111-M131 HydrophobicContact CD1-CE 3.86Å; L111-M131 HydrophobicContact CD2-CE 3.56Å; L111-M131 HydrophobicContact CG-CE 3.68Å
112M98.6Very high98Very high1 Ų166.4 Ų66.41%0.00532%0.318CS..Hα-helixtrans-67.3-39.6176.6-68.4-58.199.600112.1L27 L38 F108 A109 Q114 L115 L116 M131L27-M112 HydrophobicContact CD1-SD 3.91Å; L27-M112 HydrophobicContact CD2-CG 4.14Å; L27-M112 HydrophobicContact CD2-SD 4.49Å; L38-M112 HydrophobicContact CD1-CB 4.11Å; L38-M112 HydrophobicContact CD2-CB 4.03Å; L38-M112 HydrophobicContact CD2-CG 4.4Å; F108-M112 HydrophobicContact CD1-CG 4.31Å; F108-M112 HydrophobicContact CD2-CE 4.33Å; F108-M112 HydrophobicContact CD2-CG 4.1Å; F108-M112 HydrophobicContact CE1-CG 3.82Å; F108-M112 HydrophobicContact CE2-CE 3.94Å; F108-M112 HydrophobicContact CE2-CG 3.6Å; F108-M112 HydrophobicContact CE2-SD 3.82Å; F108-M112 HydrophobicContact CG-CG 4.45Å; F108-M112 HydrophobicContact CZ-CG 3.45Å; F108-M112 VanDerWaalsContact CZ-CG 3.45Å; F108-M112 HydrophobicContact CZ-SD 3.96Å; F108-M112 WeakPolarHBondContact O-CG 3.48Å; F108-M112 PolarHBondContact O-N 2.97Å; A109-M112 PolarHBondContact O-N 2.86Å; M112-Q114 VanDerWaalsContact C-N 3.3Å; M112-Q114 PolarHBondContact O-N 3.46Å; M112-L115 HydrophobicContact CE-CD2 4.14Å; M112-L115 PolarHBondContact O-N 2.83Å; M112-L115 HydrophobicContact SD-CD2 4.16Å; M112-L116 WeakPolarHBondContact O-CB 3.23Å; M112-L116 VanDerWaalsContact O-CG 3.26Å; M112-L116 WeakPolarHBondContact O-CG 3.43Å; M112-L116 PolarHBondContact O-N 2.72Å; M112-M131 HydrophobicContact CE-CE 3.9Å; M112-M131 HydrophobicContact CE-SD 3.69Å
113V98.4Very high97.7Very high19 Ų1966.2 Ų66.212%0.11532%0.319CS..Hα-helixtrans-57.4-46.9171.7169.50000110.5L36 L38 A109 G110 L115 L116 N117L36-V113 HydrophobicContact CB-CG1 4.12Å; L36-V113 HydrophobicContact CD2-CG1 3.64Å; L36-V113 HydrophobicContact CG-CG1 3.72Å; L38-V113 HydrophobicContact CB-CG2 3.92Å; A109-V113 WeakPolarHBondContact O-CG2 3.36Å; A109-V113 PolarHBondContact O-N 2.85Å; G110-V113 PolarHBondContact O-N 3.06Å; V113-L115 PolarHBondContact O-N 3.33Å; V113-L116 PolarHBondContact O-N 2.89Å; V113-N117 WeakPolarHBondContact O-CB 3.42Å; V113-N117 PolarHBondContact O-N 3.08Å
114Q97.7Very high97.2Very high81 Ų8164.7 Ų64.738%0.37933%0.332SS..Hα-helixtrans-61.3-44.1177.8-175.9-178.9-22.600111.6G110 L111 M112 N117 K118 I121G110-Q114 PolarHBondContact O-N 3.1Å; L111-Q114 PolarHBondContact O-N 3.37Å; M112-Q114 VanDerWaalsContact C-N 3.3Å; M112-Q114 PolarHBondContact O-N 3.46Å; Q114-N117 PolarHBondContact O-N 2.8Å; Q114-K118 HydrophobicContact CG-CD 3.78Å; Q114-K118 HydrophobicContact CG-CG 4.26Å; Q114-K118 WeakPolarHBondContact O-CB 3.37Å; Q114-K118 PolarHBondContact O-N 3.27Å; Q114-I121 HydrophobicContact CB-CD1 3.91Å; Q114-I121 HydrophobicContact CG-CD1 3.51Å
115L98.4Very high96.8Very high0 Ų070.3 Ų70.30%035%0.354CS..Hα-helixtrans-61.9-47.6178.2171.663000111.4I93 L111 M112 V113 N117 R119 I121 M131 I133I93-L115 HydrophobicContact CD1-CD2 3.86Å; I93-L115 HydrophobicContact CG1-CD2 4.13Å; I93-L115 HydrophobicContact CG2-CD2 3.64Å; L111-L115 WeakPolarHBondContact O-CB 3.41Å; L111-L115 PolarHBondContact O-N 3.24Å; M112-L115 HydrophobicContact CE-CD2 4.14Å; M112-L115 PolarHBondContact O-N 2.83Å; M112-L115 HydrophobicContact SD-CD2 4.16Å; V113-L115 PolarHBondContact O-N 3.33Å; L115-N117 VanDerWaalsContact C-N 3.29Å; L115-N117 PolarHBondContact O-N 2.94Å; L115-R119 WeakPolarHBondContact O-CA 3.21Å; L115-R119 PolarHBondContact O-N 2.95Å; L115-I121 HydrophobicContact CB-CD1 4.16Å; L115-I121 HydrophobicContact CB-CG1 3.82Å; L115-I121 HydrophobicContact CD1-CG1 4.09Å; L115-I121 HydrophobicContact CG-CG1 4.49Å; L115-M131 HydrophobicContact CD1-CB 3.95Å; L115-M131 HydrophobicContact CD2-CB 4.08Å; L115-M131 HydrophobicContact CD2-SD 4.18Å; L115-I133 HydrophobicContact CD1-CG1 4.39Å
116L97.9Very high96.4Very high32 Ų3272.3 Ų72.317%0.16837%0.369CS..Hα-helixtrans-64.1-35.3-179.3-69.7172000111.8L38 M112 V113 I133L38-L116 HydrophobicContact CD1-CD1 4.03Å; M112-L116 WeakPolarHBondContact O-CB 3.23Å; M112-L116 VanDerWaalsContact O-CG 3.26Å; M112-L116 WeakPolarHBondContact O-CG 3.43Å; M112-L116 PolarHBondContact O-N 2.72Å; V113-L116 PolarHBondContact O-N 2.89Å; L116-I133 HydrophobicContact CD2-CD1 4.16Å
117N96.7Very high96Very high111 Ų11171 Ų7159%0.59438%0.375SS*.Hα-helixtrans-76.9-49.7177.4-172.346.3000112.8L36 V113 Q114 L115L36-N117 HydrophobicContact CD2-CB 4.1Å; V113-N117 WeakPolarHBondContact O-CB 3.42Å; V113-N117 PolarHBondContact O-N 3.08Å; Q114-N117 PolarHBondContact O-N 2.8Å; L115-N117 VanDerWaalsContact C-N 3.29Å; L115-N117 PolarHBondContact O-N 2.94Å
118K97.1Very high95.9Very high127 Ų12765.3 Ų65.355%0.55236%0.357SS*.Hα-helixtrans-87-8.4-174.8-63.3-173.3-178.8176.60114Q114 S120Q114-K118 HydrophobicContact CG-CD 3.78Å; Q114-K118 HydrophobicContact CG-CG 4.26Å; Q114-K118 WeakPolarHBondContact O-CB 3.37Å; Q114-K118 PolarHBondContact O-N 3.27Å; K118-S120 PolarHBondContact O-N 2.91Å
119R97.7Very high95.8Very high159 Ų15967.8 Ų67.860%0.637%0.372SS*.SBendtrans64.7-11.3-173.8-52.2-69.1-168.7153-2.9115.8L115 I133L115-R119 WeakPolarHBondContact O-CA 3.21Å; L115-R119 PolarHBondContact O-N 2.95Å; R119-I133 PolarHBondContact O-N 3.02Å
120S97.8Very high95.8Very high43 Ų4368.6 Ų68.630%0.30137%0.374SS..EExtended strand (participates in β ladder)trans-152.3153.5174.957.50000112.3K118 M131K118-S120 PolarHBondContact O-N 2.91Å; S120-M131 CarbonylContact C-O 3.54Å; S120-M131 WeakPolarHBondContact CA-O 3.44Å
121I97.9Very high95.8Very high11 Ų1166.7 Ų66.76%0.05635%0.354CS..EExtended strand (participates in β ladder)trans-118.5128.2170.2-60-60.8000108.2L111 Q114 L115 L130 M131L111-I121 HydrophobicContact CD1-CD1 4.06Å; L111-I121 HydrophobicContact CD1-CG1 4Å; L111-I121 HydrophobicContact CD1-CG2 3.99Å; Q114-I121 HydrophobicContact CB-CD1 3.91Å; Q114-I121 HydrophobicContact CG-CD1 3.51Å; L115-I121 HydrophobicContact CB-CD1 4.16Å; L115-I121 HydrophobicContact CB-CG1 3.82Å; L115-I121 HydrophobicContact CD1-CG1 4.09Å; L115-I121 HydrophobicContact CG-CG1 4.49Å; I121-L130 PolarHBondContact O-N 2.88Å; I121-M131 HydrophobicContact CB-CB 4.33Å; I121-M131 HydrophobicContact CB-CE 4.03Å; I121-M131 HydrophobicContact CG1-CE 3.87Å; I121-M131 HydrophobicContact CG2-CE 4.2Å; I121-M131 PolarHBondContact N-O 3.03Å; I121-M131 PolarHBondContact O-N 3.43Å
122Q96.4Very high95.8Very high118 Ų11870 Ų7055%0.55137%0.367SS*.EExtended strand (participates in β ladder)trans-101.7157172.4-69.4176-28.500110.2Q128Q122-Q128 CarbonylContact C-O 3.59Å; Q122-Q128 VanDerWaalsContact CA-O 3.25Å; Q122-Q128 WeakPolarHBondContact CA-O 3.45Å
123A93.3Very high95.8Very high26 Ų2671.2 Ų71.222%0.21537%0.373CS..  trans-62.1153.2166.400000110.4T126 Q128 L130A123-T126 CarbonylContact C-O 3.56Å; A123-T126 WeakPolarHBondContact CB-OG1 3.41Å; A123-Q128 PolarHBondContact N-O 2.96Å; A123-L130 HydrophobicContact CB-CD1 4.05Å; A123-L130 HydrophobicContact CB-CG 4.25Å
124S88.3Confident95.8Very high121 Ų12171 Ų7185%0.84637%0.371SS*.SBendtrans-70.4-37.718045.50000112.7
125E88.9Confident95.8Very high184 Ų18475.4 Ų75.486%0.8639%0.389SS*.SBendtrans-100.1-15.5-172.5-65.4170.9-168.800113
126T89.4Confident95.7Very high76 Ų7679 Ų7947%0.46641%0.409SS..SBendtrans-132.6155.3-177.577.50000110.3A123 Q128A123-T126 CarbonylContact C-O 3.56Å; A123-T126 WeakPolarHBondContact CB-OG1 3.41Å; T126-Q128 PolarHBondContact O-N 3Å; T126-Q128 VanDerWaalsContact O-N 3.11Å; T126-Q128 WeakPolarHBondContact OG1-CB 3.34Å; T126-Q128 PolarHBondContact OG1-N 3.4Å
127S90.1Very high95.7Very high107 Ų10780.2 Ų80.275%0.74842%0.418SS*.SBendtrans-76.311.9174-50.10000113.6T129S127-T129 PolarHBondContact O-N 3.03Å
128Q95.5Very high95.7Very high67 Ų6775 Ų7531%0.31339%0.39SS..  trans-69.3130.8-178.9-169.9-178.942.700110.2H96 Q98 Q122 A123 T126 L130H96-Q128 PolarHBondContact CE1-NE2 3.21Å; H96-Q128 PolarHBondContact NE2-NE2 3.24Å; Q98-Q128 VanDerWaalsContact OE1-OE1 3.05Å; Q122-Q128 CarbonylContact C-O 3.59Å; Q122-Q128 VanDerWaalsContact CA-O 3.25Å; Q122-Q128 WeakPolarHBondContact CA-O 3.45Å; A123-Q128 PolarHBondContact N-O 2.96Å; T126-Q128 PolarHBondContact O-N 3Å; T126-Q128 VanDerWaalsContact O-N 3.11Å; T126-Q128 WeakPolarHBondContact OG1-CB 3.34Å; T126-Q128 PolarHBondContact OG1-N 3.4Å; Q128-L130 PolarHBondContact O-N 3.01Å
129T97.3Very high95.6Very high53 Ų5372.3 Ų72.333%0.32538%0.38SS..EExtended strand (participates in β ladder)trans-80.1119.5173.9-580000109.3S127 M131 K132S127-T129 PolarHBondContact O-N 3.03Å; T129-M131 WeakPolarHBondContact CG2-O 3.2Å; T129-K132 HydrophobicContact CG2-CB 3.89Å; T129-K132 HydrophobicContact CG2-CD 4.48Å
130L97.8Very high95.4Very high31 Ų3170 Ų7016%0.16238%0.379CS..EExtended strand (participates in β ladder)trans-89.5-38.1179.2-64.7177.4000111.7H96 T99 I121 A123 Q128H96-L130 WeakPolarHBondContact CB-O 3.4Å; H96-L130 PolarHBondContact N-O 2.97Å; T99-L130 HydrophobicContact CG2-CB 4.47Å; T99-L130 PolarHBondContact OG1-O 3.06Å; I121-L130 PolarHBondContact O-N 2.88Å; A123-L130 HydrophobicContact CB-CD1 4.05Å; A123-L130 HydrophobicContact CB-CG 4.25Å; Q128-L130 PolarHBondContact O-N 3.01Å
131M98.4Very high95.3Very high3 Ų370.2 Ų70.22%0.01537%0.374CS..EExtended strand (participates in β ladder)trans-140.6143.8175.5-62.1179.2-80.300110.4I93 E94 I95 T99 I101 L111 M112 L115 S120 I121 T129I93-M131 HydrophobicContact CG2-CB 4.36Å; E94-M131 VanDerWaalsContact O-CA 3.3Å; E94-M131 WeakPolarHBondContact O-CA 3.25Å; I95-M131 HydrophobicContact CD1-CB 4.35Å; I95-M131 HydrophobicContact CD1-CG 3.63Å; I95-M131 HydrophobicContact CD1-SD 3.66Å; I95-M131 HydrophobicContact CG2-CG 4.47Å; T99-M131 HydrophobicContact CG2-CE 4.29Å; T99-M131 HydrophobicContact CG2-CG 4.04Å; T99-M131 HydrophobicContact CG2-SD 4.16Å; I101-M131 HydrophobicContact CD1-SD 4.21Å; L111-M131 HydrophobicContact CD1-CE 3.86Å; L111-M131 HydrophobicContact CD2-CE 3.56Å; L111-M131 HydrophobicContact CG-CE 3.68Å; M112-M131 HydrophobicContact CE-CE 3.9Å; M112-M131 HydrophobicContact CE-SD 3.69Å; L115-M131 HydrophobicContact CD1-CB 3.95Å; L115-M131 HydrophobicContact CD2-CB 4.08Å; L115-M131 HydrophobicContact CD2-SD 4.18Å; S120-M131 CarbonylContact C-O 3.54Å; S120-M131 WeakPolarHBondContact CA-O 3.44Å; I121-M131 HydrophobicContact CB-CB 4.33Å; I121-M131 HydrophobicContact CB-CE 4.03Å; I121-M131 HydrophobicContact CG1-CE 3.87Å; I121-M131 HydrophobicContact CG2-CE 4.2Å; I121-M131 PolarHBondContact N-O 3.03Å; I121-M131 PolarHBondContact O-N 3.43Å; T129-M131 WeakPolarHBondContact CG2-O 3.2Å
132K98.3Very high95.1Very high101 Ų10170.7 Ų70.744%0.43938%0.376SS..EExtended strand (participates in β ladder)trans-147.8137.1-178.7-171.3176.1179.7179.40111.9I93 E94 T129 I134I93-K132 CarbonylContact C-O 3.57Å; I93-K132 WeakPolarHBondContact CA-O 3.2Å; E94-K132 PolarHBondContact N-O 3.21Å; E94-K132 PolarHBondContact O-N 3.19Å; T129-K132 HydrophobicContact CG2-CB 3.89Å; T129-K132 HydrophobicContact CG2-CD 4.48Å; K132-I134 HydrophobicContact CB-CG2 4.45Å; K132-I134 HydrophobicContact CD-CG2 4.36Å; K132-I134 HydrophobicContact CG-CG2 4.24Å; K132-I134 PolarHBondContact O-N 3.17Å
133I98.5Very high94.9Very high25 Ų2565.2 Ų65.213%0.12835%0.35CS..EExtended strand (participates in β ladder)trans-76.5119.7166.2-61.7-180000108.7A91 I92 I93 L115 L116 R119A91-I133 HydrophobicContact CB-CG2 4.47Å; I92-I133 CarbonylContact O-C 3.39Å; I92-I133 VanDerWaalsContact O-CA 3.25Å; I92-I133 WeakPolarHBondContact O-CA 3.49Å; I93-I133 HydrophobicContact CG1-CG1 4.23Å; L115-I133 HydrophobicContact CD1-CG1 4.39Å; L116-I133 HydrophobicContact CD2-CD1 4.16Å; R119-I133 PolarHBondContact O-N 3.02Å
134I98.2Very high94.7Very high16 Ų1669.4 Ų69.48%0.08237%0.373CS..EExtended strand (participates in β ladder)trans-109.5169.9-178.959.7173.5000111F84 I92 E94 K132 Y141F84-I134 HydrophobicContact CD1-CD1 3.83Å; F84-I134 HydrophobicContact CE1-CD1 3.61Å; I92-I134 HydrophobicContact CB-CD1 4.41Å; I92-I134 HydrophobicContact CB-CG1 3.77Å; I92-I134 HydrophobicContact CG2-CD1 3.63Å; I92-I134 HydrophobicContact CG2-CG1 3.51Å; I92-I134 PolarHBondContact O-N 3.31Å; E94-I134 HydrophobicContact CB-CD1 4Å; E94-I134 HydrophobicContact CB-CG1 4.48Å; E94-I134 HydrophobicContact CB-CG2 4.1Å; K132-I134 HydrophobicContact CB-CG2 4.45Å; K132-I134 HydrophobicContact CD-CG2 4.36Å; K132-I134 HydrophobicContact CG-CG2 4.24Å; K132-I134 PolarHBondContact O-N 3.17Å; I134-Y141 HydrophobicContact CB-CE1 4.42Å; I134-Y141 HydrophobicContact CD1-CD1 3.93Å; I134-Y141 HydrophobicContact CD1-CD2 3.81Å; I134-Y141 HydrophobicContact CD1-CE1 3.73Å; I134-Y141 HydrophobicContact CD1-CE2 3.64Å; I134-Y141 HydrophobicContact CD1-CG 3.97Å; I134-Y141 HydrophobicContact CG1-CE2 4.18Å
135K98Very high94.6Very high172 Ų17266.9 Ų66.975%0.74837%0.365SS*.PPolyproline II helixtrans-82153.3-172.9-67.1-175178-177.10110.5Y141K135-Y141 PolarHBondContact N-OH 3.06Å; K135-Y141 WeakPolarHBondContact O-CE2 3.41Å; K135-Y141 PolarHBondContact O-OH 2.96Å; K135-Y141 VanDerWaalsContact O-OH 3.09Å
136N97.1Very high94.8Very high77 Ų7758.2 Ų58.241%0.41233%0.325SS..SBendtrans-79163.7166.8-78.9-87.5000110.7K90 I92K90-N136 PolarHBondContact O-ND2 3.05Å; I92-N136 HydrophobicContact CD1-CB 4.29Å; I92-N136 VanDerWaalsContact CD1-OD1 3.32Å; I92-N136 WeakPolarHBondContact CD1-OD1 3.25Å
137P96.7Very high95.1Very high57 Ų5758.5 Ų58.537%0.3732%0.32SS..PPolyproline II helixcis-72.4161.9-10.329.5-37.1000113.7E139 N140 Y141P137-E139 VanDerWaalsContact C-N 3.26Å; P137-E139 VanDerWaalsContact CB-OE2 3.27Å; P137-E139 WeakPolarHBondContact CB-OE2 3.36Å; P137-E139 PolarHBondContact O-N 3.37Å; P137-N140 WeakPolarHBondContact CD-ND2 3.16Å; P137-Y141 WeakPolarHBondContact O-CE2 3.3Å
138I96.2Very high95.4Very high0 Ų055.2 Ų55.20%029%0.292CS..G310 helixtrans-72.6-24.6-178.9-170162000111.8I21 F84 R86 I92 N140 Y141 F142 Y187I21-I138 HydrophobicContact CB-CD1 4.5Å; I21-I138 HydrophobicContact CD1-CD1 3.81Å; I21-I138 HydrophobicContact CD1-CG1 4.2Å; I21-I138 HydrophobicContact CG1-CD1 4.15Å; I21-I138 HydrophobicContact CG2-CD1 3.57Å; F84-I138 HydrophobicContact CB-CD1 4.01Å; R86-I138 HydrophobicContact CB-CD1 4.27Å; I92-I138 HydrophobicContact CD1-CB 3.62Å; I92-I138 HydrophobicContact CD1-CG1 4.24Å; I92-I138 HydrophobicContact CG1-CB 4.24Å; I92-I138 HydrophobicContact CG1-CD1 4.45Å; I92-I138 HydrophobicContact CG2-CD1 4.01Å; I92-I138 HydrophobicContact CG2-CG1 4.22Å; I138-N140 PolarHBondContact O-N 3.45Å; I138-Y141 WeakPolarHBondContact O-CD2 3.25Å; I138-Y141 PolarHBondContact O-N 3.36Å; I138-F142 HydrophobicContact CG1-CE1 3.93Å; I138-F142 HydrophobicContact CG1-CZ 4.22Å; I138-F142 HydrophobicContact CG2-CZ 3.96Å; I138-F142 VanDerWaalsContact O-CE1 3.3Å; I138-F142 WeakPolarHBondContact O-CE1 3.4Å; I138-Y187 HydrophobicContact CG2-CE1 3.7Å
139E95Very high95.5Very high72 Ų7252.5 Ų52.534%0.33628%0.279SS..G310 helixtrans-62.5-25.6179.5-59.390.7127.300112.4P137 Y141 F142 Y187P137-E139 VanDerWaalsContact C-N 3.26Å; P137-E139 VanDerWaalsContact CB-OE2 3.27Å; P137-E139 WeakPolarHBondContact CB-OE2 3.36Å; P137-E139 PolarHBondContact O-N 3.37Å; E139-Y141 PolarHBondContact O-N 2.92Å; E139-Y141 VanDerWaalsContact O-N 3.12Å; E139-F142 HydrophobicContact CB-CD2 4.16Å; E139-F142 HydrophobicContact CB-CE2 4.08Å; E139-F142 HydrophobicContact CG-CD2 4.32Å; E139-F142 HydrophobicContact CG-CE2 3.8Å; E139-F142 HydrophobicContact CG-CZ 4.41Å; E139-F142 WeakPolarHBondContact O-CB 3.37Å; E139-F142 PolarHBondContact O-N 3.29Å; E139-F142 VanDerWaalsContact O-N 3.11Å; E139-Y187 VanDerWaalsContact CD-CD1 3.41Å; E139-Y187 HydrophobicContact CG-CD1 3.67Å; E139-Y187 HydrophobicContact CG-CE1 4.42Å; E139-Y187 HydrophobicContact CG-CG 3.72Å; E139-Y187 VanDerWaalsContact OE1-CD1 3.25Å; E139-Y187 WeakPolarHBondContact OE1-CD1 3.17Å
140N95.1Very high95.5Very high110 Ų11050.2 Ų50.259%0.58827%0.265SS*.G310 helixtrans-63.2-16.3174.9-74.1-9.7000113.6P137 I138P137-N140 WeakPolarHBondContact CD-ND2 3.16Å; I138-N140 PolarHBondContact O-N 3.45Å
141Y94.7Very high95.5Very high47 Ų4749.5 Ų49.518%0.18426%0.262CS..G310 helixtrans-103.34-179-52.4-80.9000112.3F84 I134 K135 P137 I138 E139F84-Y141 HydrophobicContact CE1-CG 4.42Å; F84-Y141 HydrophobicContact CZ-CG 4.45Å; I134-Y141 HydrophobicContact CB-CE1 4.42Å; I134-Y141 HydrophobicContact CD1-CD1 3.93Å; I134-Y141 HydrophobicContact CD1-CD2 3.81Å; I134-Y141 HydrophobicContact CD1-CE1 3.73Å; I134-Y141 HydrophobicContact CD1-CE2 3.64Å; I134-Y141 HydrophobicContact CD1-CG 3.97Å; I134-Y141 HydrophobicContact CG1-CE2 4.18Å; K135-Y141 PolarHBondContact N-OH 3.06Å; K135-Y141 WeakPolarHBondContact O-CE2 3.41Å; K135-Y141 PolarHBondContact O-OH 2.96Å; K135-Y141 VanDerWaalsContact O-OH 3.09Å; P137-Y141 WeakPolarHBondContact O-CE2 3.3Å; I138-Y141 WeakPolarHBondContact O-CD2 3.25Å; I138-Y141 PolarHBondContact O-N 3.36Å; E139-Y141 PolarHBondContact O-N 2.92Å; E139-Y141 VanDerWaalsContact O-N 3.12Å
142F93.8Very high95.3Very high22 Ų2250 Ų5010%0.09627%0.266CS..SBendtrans-84.1137.2178-59-11.7000110.7I21 I138 E139 K148 V172 Y187I21-F142 HydrophobicContact CD1-CD1 4.5Å; I21-F142 HydrophobicContact CD1-CE1 3.32Å; I21-F142 HydrophobicContact CD1-CZ 3.38Å; I138-F142 HydrophobicContact CG1-CE1 3.93Å; I138-F142 HydrophobicContact CG1-CZ 4.22Å; I138-F142 HydrophobicContact CG2-CZ 3.96Å; I138-F142 VanDerWaalsContact O-CE1 3.3Å; I138-F142 WeakPolarHBondContact O-CE1 3.4Å; E139-F142 HydrophobicContact CB-CD2 4.16Å; E139-F142 HydrophobicContact CB-CE2 4.08Å; E139-F142 HydrophobicContact CG-CD2 4.32Å; E139-F142 HydrophobicContact CG-CE2 3.8Å; E139-F142 HydrophobicContact CG-CZ 4.41Å; E139-F142 WeakPolarHBondContact O-CB 3.37Å; E139-F142 PolarHBondContact O-N 3.29Å; E139-F142 VanDerWaalsContact O-N 3.11Å; F142-K148 HydrophobicContact CD2-CD 4.45Å; F142-K148 HydrophobicContact CD2-CG 4.01Å; F142-K148 HydrophobicContact CE2-CG 4.21Å; F142-V172 HydrophobicContact CB-CG2 4.34Å; F142-V172 HydrophobicContact CD1-CG1 4.45Å; F142-V172 HydrophobicContact CD1-CG2 4.08Å; F142-V172 HydrophobicContact CD2-CG2 4.45Å; F142-V172 HydrophobicContact CE1-CG1 4.17Å; F142-V172 HydrophobicContact CG-CG2 4.03Å; F142-V172 HydrophobicContact CZ-CG1 4.24Å; F142-Y187 AromaticContact CE2-CD2 3.56Å; F142-Y187 HydrophobicContact CE2-CD2 3.56Å; F142-Y187 AromaticContact CE2-CE2 3.78Å; F142-Y187 HydrophobicContact CE2-CE2 3.78Å; F142-Y187 HydrophobicContact CE2-CG 4.09Å; F142-Y187 HydrophobicContact CZ-CD2 4.02Å; F142-Y187 AromaticContact CZ-CE2 3.72Å; F142-Y187 HydrophobicContact CZ-CE2 3.72Å
143P92Very high95Very high3 Ų348 Ų482%0.01927%0.265CS..PPolyproline II helixtrans-64.3144173.7-23.837.3000110.5V11 I19 G145 S146 P170V11-P143 HydrophobicContact CB-CB 4.06Å; V11-P143 HydrophobicContact CB-CG 3.58Å; V11-P143 HydrophobicContact CG1-CG 4.17Å; V11-P143 HydrophobicContact CG2-CG 3.97Å; I19-P143 HydrophobicContact CD1-CG 3.42Å; I19-P143 VanDerWaalsContact CD1-CG 3.42Å; P143-G145 PolarHBondContact O-N 3.34Å; P143-S146 WeakPolarHBondContact O-CB 3.32Å; P143-S146 PolarHBondContact O-N 3.06Å; P143-S146 PolarHBondContact O-OG 3.1Å; P143-P170 HydrophobicContact CB-CB 3.76Å; P143-P170 HydrophobicContact CB-CG 3.42Å; P143-P170 VanDerWaalsContact CB-CG 3.42Å; P143-P170 HydrophobicContact CG-CB 3.72Å; P143-P170 HydrophobicContact CG-CG 3.99Å
144V89.5Confident94.6Very high114 Ų11452.9 Ų52.969%0.69129%0.287SS*.THydrogen-bonded Turntrans-60.7134.6177.5-178.50000109.2P13 S146P13-V144 HydrophobicContact CG-CB 4.48Å; V144-S146 PolarHBondContact O-N 3.46Å
145G86.6Confident94.3Very high67 Ų6752.1 Ų52.169%0.69128%0.283SS*.THydrogen-bonded Turntrans77.8-4.3178.900000115.5P143 K147P143-G145 PolarHBondContact O-N 3.34Å; G145-K147 PolarHBondContact O-N 3.43Å
146S92.3Very high94Very high2 Ų249.3 Ų49.31%0.01428%0.283CS..  trans-61.5137173.856.50000111.1P143 V144 K148 P170P143-S146 WeakPolarHBondContact O-CB 3.32Å; P143-S146 PolarHBondContact O-N 3.06Å; P143-S146 PolarHBondContact O-OG 3.1Å; V144-S146 PolarHBondContact O-N 3.46Å; S146-K148 WeakPolarHBondContact O-CD 3.02Å; S146-K148 WeakPolarHBondContact O-CE 3.41Å; S146-K148 PolarHBondContact O-NZ 3.22Å; S146-K148 WeakPolarHBondContact OG-CE 3.49Å; S146-P170 VanDerWaalsContact CA-O 3.23Å; S146-P170 WeakPolarHBondContact CA-O 3.17Å; S146-P170 WeakPolarHBondContact CB-O 3.22Å
147K95.7Very high93.9Very high83 Ų8351.5 Ų51.536%0.36129%0.294SS..EExtended strand (participates in β ladder)trans-81.9141.6167.4-169.1163.5167.6-153.60109.1G145 Y149 V172 E190G145-K147 PolarHBondContact O-N 3.43Å; K147-Y149 HydrophobicContact CB-CE2 3.98Å; K147-Y149 HydrophobicContact CD-CE1 4.01Å; K147-Y149 HydrophobicContact CD-CE2 4.05Å; K147-Y149 VanDerWaalsContact CD-CZ 3.47Å; K147-Y149 WeakPolarHBondContact CD-OH 3.48Å; K147-Y149 VanDerWaalsContact CE-OH 3.22Å; K147-Y149 WeakPolarHBondContact CE-OH 3.5Å; K147-Y149 HydrophobicContact CG-CD2 4.39Å; K147-Y149 HydrophobicContact CG-CE1 4.21Å; K147-Y149 HydrophobicContact CG-CE2 3.73Å; K147-Y149 VanDerWaalsContact NZ-CE1 3.34Å; K147-Y149 PolarHBondContact NZ-OH 3.22Å; K147-V172 PolarHBondContact O-N 2.87Å; K147-E190 IonicContact NZ-OE2 2.82Å; K147-E190 PolarHBondContact NZ-OE2 3.3Å
148K97Very high93.9Very high37 Ų3753.6 Ų53.616%0.16130%0.302CS..EExtended strand (participates in β ladder)trans-119.1115.5-174.9-57.792.8-177.6171.60110.1F142 S146 V172 C188 E189F142-K148 HydrophobicContact CD2-CD 4.45Å; F142-K148 HydrophobicContact CD2-CG 4.01Å; F142-K148 HydrophobicContact CE2-CG 4.21Å; S146-K148 WeakPolarHBondContact O-CD 3.02Å; S146-K148 WeakPolarHBondContact O-CE 3.41Å; S146-K148 PolarHBondContact O-NZ 3.22Å; S146-K148 WeakPolarHBondContact OG-CE 3.49Å; K148-V172 WeakPolarHBondContact CA-O 3.4Å; K148-V172 HydrophobicContact CB-CB 4.19Å; K148-V172 HydrophobicContact CG-CB 3.78Å; K148-V172 HydrophobicContact CG-CG1 4.35Å; K148-V172 HydrophobicContact CG-CG2 3.97Å; K148-C188 CarbonylContact O-C 3.6Å; K148-C188 WeakPolarHBondContact O-CA 3.45Å; K148-E189 VanDerWaalsContact CA-OE2 3.27Å; K148-E189 WeakPolarHBondContact CA-OE2 3.3Å; K148-E189 WeakPolarHBondContact CB-OE2 3.34Å; K148-E189 WeakPolarHBondContact CD-OE1 3.4Å; K148-E189 PolarHBondContact N-OE2 2.74Å; K148-E189 IonicContact NZ-OE1 3.6Å; K148-E189 PolarHBondContact O-N 3.45Å
149Y97.5Very high93.9Very high11 Ų1154.7 Ų54.74%0.04331%0.309CS..EExtended strand (participates in β ladder)trans-108.6149.9178-59.1-85.4000110.4K147 I164 T171 V172 I173 V174 C188 E190 L192K147-Y149 HydrophobicContact CB-CE2 3.98Å; K147-Y149 HydrophobicContact CD-CE1 4.01Å; K147-Y149 HydrophobicContact CD-CE2 4.05Å; K147-Y149 VanDerWaalsContact CD-CZ 3.47Å; K147-Y149 WeakPolarHBondContact CD-OH 3.48Å; K147-Y149 VanDerWaalsContact CE-OH 3.22Å; K147-Y149 WeakPolarHBondContact CE-OH 3.5Å; K147-Y149 HydrophobicContact CG-CD2 4.39Å; K147-Y149 HydrophobicContact CG-CE1 4.21Å; K147-Y149 HydrophobicContact CG-CE2 3.73Å; K147-Y149 VanDerWaalsContact NZ-CE1 3.34Å; K147-Y149 PolarHBondContact NZ-OH 3.22Å; Y149-I164 HydrophobicContact CD1-CD1 4.3Å; Y149-I164 HydrophobicContact CD2-CD1 3.79Å; Y149-I164 HydrophobicContact CE1-CB 4.49Å; Y149-I164 HydrophobicContact CE1-CD1 4.15Å; Y149-I164 HydrophobicContact CE1-CG2 4.41Å; Y149-I164 HydrophobicContact CE2-CB 4.45Å; Y149-I164 HydrophobicContact CE2-CD1 3.62Å; Y149-I164 HydrophobicContact CG-CD1 4.1Å; Y149-T171 HydrophobicContact CD2-CG2 3.66Å; Y149-T171 HydrophobicContact CE2-CG2 3.64Å; Y149-V172 PolarHBondContact N-O 2.78Å; Y149-I173 HydrophobicContact CD2-CG1 4.29Å; Y149-I173 CarbonylContact O-C 3.45Å; Y149-I173 WeakPolarHBondContact O-CA 3.26Å; Y149-V174 PolarHBondContact O-N 2.65Å; Y149-C188 PolarHBondContact O-SG 2.78Å; Y149-C188 VanDerWaalsContact O-SG 3.41Å; Y149-E190 WeakPolarHBondContact CA-O 3.44Å; Y149-E190 HydrophobicContact CD1-CB 3.87Å; Y149-E190 HydrophobicContact CD1-CG 4.36Å; Y149-E190 HydrophobicContact CE1-CB 4.13Å; Y149-E190 HydrophobicContact CE1-CG 4.48Å; Y149-L192 VanDerWaalsContact CB-CD1 3.49Å; Y149-L192 HydrophobicContact CD1-CD1 4Å; Y149-L192 HydrophobicContact CD1-CD2 3.61Å; Y149-L192 HydrophobicContact CD1-CG 3.85Å; Y149-L192 HydrophobicContact CE1-CD2 4.07Å; Y149-L192 HydrophobicContact CG-CD1 3.8Å; Y149-L192 HydrophobicContact CG-CD2 4.28Å; Y149-L192 HydrophobicContact CG-CG 4.09Å
150S97.6Very high93.9Very high4 Ų454.8 Ų54.83%0.02831%0.311CS..EExtended strand (participates in β ladder)trans-113.8153.9163.959.60000109.8V174 E190 E191 L192S150-V174 CarbonylContact C-O 2.96Å; S150-E190 PolarHBondContact N-O 2.81Å; S150-E191 CarbonylContact O-C 3.54Å; S150-E191 WeakPolarHBondContact O-CA 3.48Å; S150-E191 WeakPolarHBondContact OG-CG 3.37Å; S150-L192 PolarHBondContact O-N 3.38Å
151T97Very high94Very high17 Ų1750.1 Ų50.110%0.10429%0.286CS..EExtended strand (participates in β ladder)trans-101.9135.1177.364.70000111.2I173 V174 V175 L192 I194 V204 I208T151-I173 HydrophobicContact CG2-CG2 3.81Å; T151-V174 PolarHBondContact N-O 2.83Å; T151-V174 PolarHBondContact OG1-O 3.44Å; T151-V175 HydrophobicContact CG2-CG2 4.15Å; T151-L192 WeakPolarHBondContact CA-O 3.4Å; T151-I194 HydrophobicContact CG2-CD1 3.65Å; T151-V204 HydrophobicContact CG2-CG1 4.04Å; T151-I208 HydrophobicContact CG2-CD1 4.17Å
152S94.9Very high94.1Very high13 Ų1352.6 Ų52.69%0.09130%0.295CS..  trans-148.6131.6178.9177.80000110.7H154 A155 E191 L192 K193S152-H154 PolarHBondContact O-N 2.68Å; S152-H154 PolarHBondContact OG-N 2.91Å; S152-A155 PolarHBondContact O-N 3Å; S152-E191 VanDerWaalsContact CB-OE2 3.23Å; S152-E191 WeakPolarHBondContact CB-OE2 3.19Å; S152-E191 PolarHBondContact OG-OE2 2.8Å; S152-L192 PolarHBondContact N-O 3.1Å; S152-K193 WeakPolarHBondContact O-CA 3.02Å; S152-K193 WeakPolarHBondContact O-CB 3.27Å
153S91.2Very high94.2Very high59 Ų5957.6 Ų57.641%0.41332%0.323SS..THydrogen-bonded Turntrans-68.8-15.517152.50000112.8
154H91.2Very high94.3Very high127 Ų12758.5 Ų58.559%0.58833%0.327SS*.THydrogen-bonded Turntrans-97.2-1.6179.7-60.7-79.5000113.3S152 Q182S152-H154 PolarHBondContact O-N 2.68Å; S152-H154 PolarHBondContact OG-N 2.91Å; H154-Q182 PolarHBondContact CD2-NE2 3.29Å; H154-Q182 PolarHBondContact NE2-NE2 3.15Å
155A91.8Very high94.7Very high1 Ų154 Ų541%0.00830%0.3CS..  trans-59.5143.3174.300000109.5S152 N157 E191 K193S152-A155 PolarHBondContact O-N 3Å; A155-N157 PolarHBondContact O-N 3.46Å; A155-E191 HydrophobicContact CB-CB 3.85Å; A155-K193 HydrophobicContact CB-CB 3.68Å; A155-K193 WeakPolarHBondContact O-CD 3.45Å
156P91.4Very high95Very high113 Ų11352.2 Ų52.273%0.73428%0.276SS*.SBendtrans-65.5-41-168.123.4-33.3000112.7
157N94.7Very high95Very high123 Ų12358.4 Ų58.466%0.65831%0.309SS*.SBendtrans-112.1133.5-170.8-61.8-38.2000110.9A155 T159 K193A155-N157 PolarHBondContact O-N 3.46Å; N157-T159 PolarHBondContact O-N 3.11Å; N157-K193 WeakPolarHBondContact O-CB 3.21Å
158L96.4Very high94.6Very high100 Ų10058.4 Ų58.452%0.52431%0.313SS..BIsolated β-bridgetrans-66.3125170.5-176.573.1000109.1K193L158-K193 WeakPolarHBondContact CA-O 3.48Å; L158-K193 HydrophobicContact CD1-CG 4.34Å; L158-K193 WeakPolarHBondContact CD1-O 3.42Å
159T96.4Very high94.3Very high24 Ų2461.7 Ų61.715%0.14733%0.328CS..  trans-107.6126.7178.8-460000109.9N157 I161 I164 L192 K193N157-T159 PolarHBondContact O-N 3.11Å; T159-I161 PolarHBondContact O-N 3.4Å; T159-I164 HydrophobicContact CG2-CG2 3.87Å; T159-L192 HydrophobicContact CG2-CD2 3.88Å; T159-K193 PolarHBondContact N-O 3.39Å
160N96.2Very high94.2Very high74 Ų7461.2 Ų61.240%0.39633%0.326SS..  trans-76116.7162.8175.615.4000108.4R162 D163N160-R162 PolarHBondContact O-N 3.36Å; N160-R162 VanDerWaalsContact O-N 3.17Å; N160-R162 PolarHBondContact OD1-N 2.83Å; N160-D163 WeakPolarHBondContact CB-OD2 3.33Å; N160-D163 PolarHBondContact ND2-OD1 2.8Å; N160-D163 WeakPolarHBondContact O-CB 3.31Å; N160-D163 PolarHBondContact O-N 2.8Å; N160-D163 VanDerWaalsContact O-N 3.08Å
161I97Very high94.2Very high11 Ų1161.2 Ų61.26%0.05633%0.325CS..G310 helixtrans-59.9-32-174-58.8161.3000111.3T159 D163 I164 V165 I194 K207 I208 A211 F212T159-I161 PolarHBondContact O-N 3.4Å; I161-D163 PolarHBondContact O-N 3.47Å; I161-I164 HydrophobicContact CG2-CG1 4.27Å; I161-I164 WeakPolarHBondContact O-CG1 3.43Å; I161-I164 PolarHBondContact O-N 2.92Å; I161-I164 VanDerWaalsContact O-N 3.11Å; I161-V165 WeakPolarHBondContact O-CG2 3.4Å; I161-I194 HydrophobicContact CD1-CB 4.31Å; I161-I194 HydrophobicContact CD1-CD1 3.79Å; I161-I194 HydrophobicContact CD1-CG1 3.75Å; I161-I194 HydrophobicContact CD1-CG2 3.64Å; I161-I194 HydrophobicContact CG1-CD1 4.25Å; I161-I194 HydrophobicContact CG1-CG1 3.85Å; I161-I194 HydrophobicContact CG1-CG2 4.35Å; I161-K207 HydrophobicContact CD1-CB 4.23Å; I161-I208 HydrophobicContact CD1-CG1 3.9Å; I161-A211 HydrophobicContact CB-CB 3.58Å; I161-A211 HydrophobicContact CG2-CB 3.49Å; I161-A211 VanDerWaalsContact CG2-CB 3.49Å; I161-F212 HydrophobicContact CG2-CD2 4.31Å; I161-F212 HydrophobicContact CG2-CE2 4.06Å
162R95.7Very high94.2Very high100 Ų10060.4 Ų60.438%0.37732%0.32SS..G310 helixtrans-58.5-33.3179.2-69.2-173.9-173.3721.1112.5N160 I164 V165 A211 E214N160-R162 PolarHBondContact O-N 3.36Å; N160-R162 VanDerWaalsContact O-N 3.17Å; N160-R162 PolarHBondContact OD1-N 2.83Å; R162-I164 PolarHBondContact O-N 2.87Å; R162-V165 PolarHBondContact O-N 3.41Å; R162-A211 HydrophobicContact CG-CB 3.95Å; R162-E214 IonicContact CZ-OE1 2.81Å; R162-E214 IonicContact CZ-OE2 2.65Å; R162-E214 IonicContact NE-OE2 3.69Å; R162-E214 PolarHBondContact NE-OE2 3.3Å; R162-E214 IonicContact NH2-OE1 3.67Å; R162-E214 PolarHBondContact NH2-OE1 3.27Å; R162-E214 IonicContact NH2-OE2 2.74Å; R162-E214 PolarHBondContact NH2-OE2 2.87Å
163D95.8Very high94.4Very high126 Ų12659.8 Ų59.867%0.67432%0.316SS*.G310 helixtrans-71.7-15-176.5-54.4-8.4000112.3N160 I161N160-D163 WeakPolarHBondContact CB-OD2 3.33Å; N160-D163 PolarHBondContact ND2-OD1 2.8Å; N160-D163 WeakPolarHBondContact O-CB 3.31Å; N160-D163 PolarHBondContact O-N 2.8Å; N160-D163 VanDerWaalsContact O-N 3.08Å; I161-D163 PolarHBondContact O-N 3.47Å
164I95.4Very high94.7Very high23 Ų2357 Ų5712%0.11830%0.296CS..G310 helixtrans-104.7-3.5178.369.6141.8000113.7Y149 T159 I161 R162 P166 I173 L192Y149-I164 HydrophobicContact CD1-CD1 4.3Å; Y149-I164 HydrophobicContact CD2-CD1 3.79Å; Y149-I164 HydrophobicContact CE1-CB 4.49Å; Y149-I164 HydrophobicContact CE1-CD1 4.15Å; Y149-I164 HydrophobicContact CE1-CG2 4.41Å; Y149-I164 HydrophobicContact CE2-CB 4.45Å; Y149-I164 HydrophobicContact CE2-CD1 3.62Å; Y149-I164 HydrophobicContact CG-CD1 4.1Å; T159-I164 HydrophobicContact CG2-CG2 3.87Å; I161-I164 HydrophobicContact CG2-CG1 4.27Å; I161-I164 WeakPolarHBondContact O-CG1 3.43Å; I161-I164 PolarHBondContact O-N 2.92Å; I161-I164 VanDerWaalsContact O-N 3.11Å; R162-I164 PolarHBondContact O-N 2.87Å; I164-P166 WeakPolarHBondContact O-CD 3.47Å; I164-I173 HydrophobicContact CD1-CD1 4.13Å; I164-L192 HydrophobicContact CD1-CD1 3.55Å; I164-L192 HydrophobicContact CD1-CD2 4.2Å; I164-L192 HydrophobicContact CG2-CD2 4.46Å
165V96.5Very high95.1Very high18 Ų1851 Ų5111%0.10927%0.269CS..  trans-77.2117.4-179.6-176.50000108.6I161 R162 F212 A215 W216I161-V165 WeakPolarHBondContact O-CG2 3.4Å; R162-V165 PolarHBondContact O-N 3.41Å; V165-F212 HydrophobicContact CB-CD1 4.49Å; V165-F212 HydrophobicContact CB-CE1 4.38Å; V165-F212 HydrophobicContact CB-CZ 4.46Å; V165-F212 HydrophobicContact CG1-CD1 3.63Å; V165-F212 HydrophobicContact CG1-CE1 3.75Å; V165-F212 HydrophobicContact CG1-CG 4.12Å; V165-F212 HydrophobicContact CG1-CZ 4.31Å; V165-F212 HydrophobicContact CG2-CD1 4.15Å; V165-F212 HydrophobicContact CG2-CD2 3.69Å; V165-F212 HydrophobicContact CG2-CE1 4.16Å; V165-F212 HydrophobicContact CG2-CE2 3.69Å; V165-F212 HydrophobicContact CG2-CG 3.94Å; V165-F212 HydrophobicContact CG2-CZ 3.93Å; V165-A215 HydrophobicContact CB-CB 3.78Å; V165-A215 HydrophobicContact CG1-CB 3.66Å; V165-A215 HydrophobicContact CG2-CB 4.07Å; V165-W216 HydrophobicContact CG1-CD2 4.5Å; V165-W216 HydrophobicContact CG1-CZ2 4.11Å
166P93.8Very high95.4Very high30 Ų3051.9 Ų51.920%0.19528%0.278CS..  trans-75.2152.9176.433-37000111.4I164 D168 K169 T171 W216I164-P166 WeakPolarHBondContact O-CD 3.47Å; P166-D168 PolarHBondContact O-N 3.44Å; P166-K169 HydrophobicContact CB-CB 3.87Å; P166-K169 HydrophobicContact CG-CB 3.91Å; P166-K169 WeakPolarHBondContact CG-O 3.34Å; P166-T171 WeakPolarHBondContact CD-OG1 3.25Å; P166-T171 VanDerWaalsContact CG-OG1 3.24Å; P166-T171 WeakPolarHBondContact CG-OG1 3.3Å; P166-W216 PolarHBondContact O-NE1 3.25Å
167D91.1Very high95.6Very high133 Ų13346.5 Ų46.571%0.71124%0.243SC*.SBendtrans-65.8-37.5179.1-70.1-40.8000113.1K16K16-D167 WeakPolarHBondContact CE-O 3.33Å
168D87.8Confident95.6Very high83 Ų8341.7 Ų41.744%0.44422%0.22SC..SBendtrans-146.620.8-169.362.7-11.4000113.6D14 P166D14-D168 CarbonylContact C-O 3.55Å; D14-D168 VanDerWaalsContact CA-O 3.24Å; D14-D168 WeakPolarHBondContact CA-O 3.45Å; D14-D168 VanDerWaalsContact O-O 3.11Å; P166-D168 PolarHBondContact O-N 3.44Å
169K91.8Very high95.1Very high106 Ų10638.7 Ų38.746%0.46121%0.209SC..SBendtrans-120.3151.5-177.1-65.5178.1-175.7172.80113.4P166P166-K169 HydrophobicContact CB-CB 3.87Å; P166-K169 HydrophobicContact CG-CB 3.91Å; P166-K169 WeakPolarHBondContact CG-O 3.34Å
170P95.1Very high94.6Very high1 Ų142 Ų421%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-69.6143170.326.2-30.4000111.1V11 P13 E15 K17 P143 S146V11-P170 HydrophobicContact CG1-CB 4.13Å; V11-P170 HydrophobicContact CG1-CG 4.49Å; P13-P170 WeakPolarHBondContact O-CD 3.44Å; E15-P170 WeakPolarHBondContact O-CD 3.45Å; K17-P170 HydrophobicContact CB-CB 4.25Å; K17-P170 CarbonylContact O-C 3.57Å; K17-P170 WeakPolarHBondContact O-CA 3.42Å; P143-P170 HydrophobicContact CB-CB 3.76Å; P143-P170 HydrophobicContact CB-CG 3.42Å; P143-P170 VanDerWaalsContact CB-CG 3.42Å; P143-P170 HydrophobicContact CG-CB 3.72Å; P143-P170 HydrophobicContact CG-CG 3.99Å; S146-P170 VanDerWaalsContact CA-O 3.23Å; S146-P170 WeakPolarHBondContact CA-O 3.17Å; S146-P170 WeakPolarHBondContact CB-O 3.22Å
171T97.2Very high94Very high3 Ų342 Ų422%0.01824%0.24CC..EExtended strand (participates in β ladder)trans-130.4136.9175.9-61.40000110.1K17 I19 Y149 P166 I173 F212K17-T171 PolarHBondContact O-N 2.87Å; I19-T171 PolarHBondContact N-O 3.46Å; Y149-T171 HydrophobicContact CD2-CG2 3.66Å; Y149-T171 HydrophobicContact CE2-CG2 3.64Å; P166-T171 WeakPolarHBondContact CD-OG1 3.25Å; P166-T171 VanDerWaalsContact CG-OG1 3.24Å; P166-T171 WeakPolarHBondContact CG-OG1 3.3Å; T171-I173 HydrophobicContact CG2-CD1 4.39Å; T171-I173 HydrophobicContact CG2-CG1 4.02Å; T171-F212 HydrophobicContact CG2-CZ 3.97Å
172V97.9Very high93.4Very high0 Ų046.1 Ų46.10%026%0.259CS..EExtended strand (participates in β ladder)trans-103.7129.5174.2-175.80000108.9I19 I21 F142 K147 K148 Y149I19-V172 HydrophobicContact CB-CB 4.49Å; I19-V172 HydrophobicContact CB-CG1 4.5Å; I19-V172 HydrophobicContact CB-CG2 4.12Å; I19-V172 HydrophobicContact CD1-CG2 4.15Å; I19-V172 HydrophobicContact CG2-CG1 4.28Å; I19-V172 HydrophobicContact CG2-CG2 4.41Å; I19-V172 CarbonylContact O-C 3.56Å; I19-V172 WeakPolarHBondContact O-CA 3.33Å; I21-V172 HydrophobicContact CD1-CG1 3.58Å; I21-V172 HydrophobicContact CG1-CG1 4.11Å; F142-V172 HydrophobicContact CB-CG2 4.34Å; F142-V172 HydrophobicContact CD1-CG1 4.45Å; F142-V172 HydrophobicContact CD1-CG2 4.08Å; F142-V172 HydrophobicContact CD2-CG2 4.45Å; F142-V172 HydrophobicContact CE1-CG1 4.17Å; F142-V172 HydrophobicContact CG-CG2 4.03Å; F142-V172 HydrophobicContact CZ-CG1 4.24Å; K147-V172 PolarHBondContact O-N 2.87Å; K148-V172 WeakPolarHBondContact CA-O 3.4Å; K148-V172 HydrophobicContact CB-CB 4.19Å; K148-V172 HydrophobicContact CG-CB 3.78Å; K148-V172 HydrophobicContact CG-CG1 4.35Å; K148-V172 HydrophobicContact CG-CG2 3.97Å; Y149-V172 PolarHBondContact N-O 2.78Å
173I98.3Very high93Very high0 Ų042.1 Ų42.10%025%0.245CC..EExtended strand (participates in β ladder)trans-127121.9173.1-55.8-176.1000109.6L18 I19 V20 I21 Y149 T151 I164 T171 V175 L192 I208 F212L18-I173 HydrophobicContact CD1-CB 4.35Å; L18-I173 HydrophobicContact CD1-CD1 3.92Å; L18-I173 HydrophobicContact CD1-CG1 3.92Å; I19-I173 PolarHBondContact O-N 3.37Å; V20-I173 WeakPolarHBondContact CA-O 3.42Å; I21-I173 PolarHBondContact N-O 3.34Å; Y149-I173 HydrophobicContact CD2-CG1 4.29Å; Y149-I173 CarbonylContact O-C 3.45Å; Y149-I173 WeakPolarHBondContact O-CA 3.26Å; T151-I173 HydrophobicContact CG2-CG2 3.81Å; I164-I173 HydrophobicContact CD1-CD1 4.13Å; T171-I173 HydrophobicContact CG2-CD1 4.39Å; T171-I173 HydrophobicContact CG2-CG1 4.02Å; I173-V175 HydrophobicContact CG2-CG2 4.44Å; I173-L192 HydrophobicContact CD1-CD1 4.47Å; I173-I208 HydrophobicContact CD1-CG2 3.77Å; I173-I208 HydrophobicContact CG2-CD1 3.68Å; I173-F212 HydrophobicContact CD1-CE2 3.59Å; I173-F212 HydrophobicContact CD1-CZ 3.93Å
174V98.4Very high92.6Very high0 Ų042.8 Ų42.80%024%0.242CC..EExtended strand (participates in β ladder)trans-94.6122.8178.8-168.70000109.7I21 E23 Y149 S150 T151 I183 P185 Y187 C188I21-V174 HydrophobicContact CB-CG1 4.24Å; I21-V174 HydrophobicContact CB-CG2 4.26Å; I21-V174 HydrophobicContact CD1-CG2 4.16Å; I21-V174 HydrophobicContact CG2-CG1 4.33Å; I21-V174 WeakPolarHBondContact O-CA 3.49Å; E23-V174 HydrophobicContact CB-CG1 3.44Å; E23-V174 VanDerWaalsContact CB-CG1 3.44Å; E23-V174 HydrophobicContact CG-CG1 4.12Å; Y149-V174 PolarHBondContact O-N 2.65Å; S150-V174 CarbonylContact C-O 2.96Å; T151-V174 PolarHBondContact N-O 2.83Å; T151-V174 PolarHBondContact OG1-O 3.44Å; V174-I183 HydrophobicContact CB-CD1 4.14Å; V174-I183 HydrophobicContact CG1-CD1 3.7Å; V174-I183 WeakPolarHBondContact O-CD1 3.42Å; V174-P185 HydrophobicContact CB-CG 4.38Å; V174-P185 HydrophobicContact CG1-CG 4.31Å; V174-P185 HydrophobicContact CG2-CG 4.23Å; V174-Y187 HydrophobicContact CG2-CE2 3.73Å; V174-C188 VanDerWaalsContact CG2-SG 3.52Å
175V98.4Very high92.4Very high1 Ų142.4 Ų42.41%0.00624%0.241CC..EExtended strand (participates in β ladder)trans-114.9130.2178.3-178.10000109.1V20 I21 L22 E23 T151 I173 A177 A201 V204 I208V20-V175 HydrophobicContact CG1-CG2 4.23Å; I21-V175 PolarHBondContact O-N 2.84Å; L22-V175 CarbonylContact C-O 3.55Å; L22-V175 WeakPolarHBondContact CA-O 3.03Å; L22-V175 HydrophobicContact CD2-CB 4.22Å; E23-V175 PolarHBondContact N-O 3.49Å; T151-V175 HydrophobicContact CG2-CG2 4.15Å; I173-V175 HydrophobicContact CG2-CG2 4.44Å; V175-A177 PolarHBondContact O-N 2.96Å; V175-A201 HydrophobicContact CG1-CB 4.15Å; V175-V204 HydrophobicContact CG1-CB 4.16Å; V175-V204 HydrophobicContact CG1-CG1 3.82Å; V175-V204 HydrophobicContact CG2-CG1 3.92Å; V175-I208 HydrophobicContact CG2-CD1 3.63Å
176G97.6Very high92.2Very high20 Ų2049.5 Ų49.521%0.20628%0.278CS..EExtended strand (participates in β ladder)trans-69125.2175.900000111.3A201G176-A201 WeakPolarHBondContact O-CB 3.47Å
177A97.1Very high92.1Very high0 Ų049.5 Ų49.50%027%0.274CS..  trans-111.736.6178.800000112.3L22 E23 A25 I62 V175L22-A177 HydrophobicContact CB-CB 3.89Å; E23-A177 PolarHBondContact O-N 3.29Å; A25-A177 HydrophobicContact CB-CB 4.09Å; I62-A177 HydrophobicContact CG2-CB 4.4Å; V175-A177 PolarHBondContact O-N 2.96Å
178S92.8Very high92.4Very high23 Ų2344.3 Ų44.316%0.16125%0.248CC..SBendtrans-120.7158.9176.457.80000111.7N24 H180N24-S178 WeakPolarHBondContact ND2-CB 3.34Å; N24-S178 PolarHBondContact ND2-OG 2.94Å; S178-H180 VanDerWaalsContact C-N 3.31Å; S178-H180 PolarHBondContact OG-O 3.32Å
179A87.9Confident92.7Very high37 Ų3745.6 Ų45.631%0.30625%0.252SS..SBendtrans-69.9-30.5-178.900000113.4R59 I62R59-A179 HydrophobicContact CB-CB 4.17Å; R59-A179 HydrophobicContact CG-CB 3.82Å; I62-A179 HydrophobicContact CD1-CB 4.08Å
180H84.4Confident92.8Very high93 Ų9344.3 Ų44.343%0.43125%0.247SC..SBendtrans-143170.5-177.5-11.287.3000109.6A56 D57 S178A56-H180 VanDerWaalsContact C-CE1 3.44Å; A56-H180 PolarHBondContact O-CE1 3.26Å; A56-H180 VanDerWaalsContact O-CE1 3.32Å; D57-H180 IonicContact OD1-CE1 2.61Å; D57-H180 PolarHBondContact OD1-CE1 3.4Å; D57-H180 IonicContact OD1-ND1 3.78Å; D57-H180 PolarHBondContact OD1-ND1 3.01Å; S178-H180 VanDerWaalsContact C-N 3.31Å; S178-H180 PolarHBondContact OG-O 3.32Å
181G83.6Confident92.9Very high73 Ų7347.4 Ų47.475%0.75326%0.262SS*.SBendtrans92.7170.4176.400000113.4
182Q85Confident92.8Very high98 Ų9847.3 Ų47.346%0.45826%0.261SS..  trans-112.8137.2175.1-65.9173.810.500108.2H154H154-Q182 PolarHBondContact CD2-NE2 3.29Å; H154-Q182 PolarHBondContact NE2-NE2 3.15Å
183I88.3Confident92.8Very high16 Ų1649 Ų498%0.08227%0.269CS..  trans-84.4127.2170.450.7160.8000108.8E23 V174 P185E23-I183 HydrophobicContact CB-CG2 4.07Å; E23-I183 HydrophobicContact CG-CB 4.38Å; E23-I183 HydrophobicContact CG-CG2 3.8Å; V174-I183 HydrophobicContact CB-CD1 4.14Å; V174-I183 HydrophobicContact CG1-CD1 3.7Å; V174-I183 WeakPolarHBondContact O-CD1 3.42Å; I183-P185 VanDerWaalsContact C-CD 3.48Å
184K87.2Confident92.6Very high140 Ų14050.4 Ų50.461%0.60928%0.275SS*.  trans-130.571.2173.2-66.7-171.7177-173.30109.4D186K184-D186 PolarHBondContact O-N 2.92Å
185P89.8Confident92.5Very high15 Ų1551.4 Ų51.410%0.09728%0.282CS..  trans-68.3124.8173.727.9-33.1000110.1V174 I183 Y187 C188V174-P185 HydrophobicContact CB-CG 4.38Å; V174-P185 HydrophobicContact CG1-CG 4.31Å; V174-P185 HydrophobicContact CG2-CG 4.23Å; I183-P185 VanDerWaalsContact C-CD 3.48Å; P185-Y187 HydrophobicContact CB-CD1 3.97Å; P185-Y187 HydrophobicContact CB-CD2 4.12Å; P185-Y187 HydrophobicContact CB-CE1 3.55Å; P185-Y187 HydrophobicContact CB-CE2 3.7Å; P185-Y187 HydrophobicContact CB-CG 4.26Å; P185-Y187 HydrophobicContact CG-CE2 4.27Å; P185-Y187 PolarHBondContact O-N 3.14Å; P185-C188 HydrophobicContact CG-CB 3.97Å; P185-C188 WeakPolarHBondContact CG-SG 3.15Å; P185-C188 PolarHBondContact O-N 3.34Å; P185-C188 VanDerWaalsContact O-N 3.17Å
186D91.9Very high92.3Very high167 Ų16756.6 Ų56.689%0.89331%0.31SS*.THydrogen-bonded Turntrans-64.9-9.4-177.8-56.3-35.8000114K184K184-D186 PolarHBondContact O-N 2.92Å
187Y93.4Very high92.2Very high30 Ų3064.7 Ų64.712%0.11834%0.336CS..THydrogen-bonded Turntrans-98.1-0.2-179.457.6-106.5000114.1I21 E23 I138 E139 F142 V174 P185I21-Y187 HydrophobicContact CD1-CE2 4.45Å; E23-Y187 PolarHBondContact OE2-OH 3.49Å; I138-Y187 HydrophobicContact CG2-CE1 3.7Å; E139-Y187 VanDerWaalsContact CD-CD1 3.41Å; E139-Y187 HydrophobicContact CG-CD1 3.67Å; E139-Y187 HydrophobicContact CG-CE1 4.42Å; E139-Y187 HydrophobicContact CG-CG 3.72Å; E139-Y187 VanDerWaalsContact OE1-CD1 3.25Å; E139-Y187 WeakPolarHBondContact OE1-CD1 3.17Å; F142-Y187 AromaticContact CE2-CD2 3.56Å; F142-Y187 HydrophobicContact CE2-CD2 3.56Å; F142-Y187 AromaticContact CE2-CE2 3.78Å; F142-Y187 HydrophobicContact CE2-CE2 3.78Å; F142-Y187 HydrophobicContact CE2-CG 4.09Å; F142-Y187 HydrophobicContact CZ-CD2 4.02Å; F142-Y187 AromaticContact CZ-CE2 3.72Å; F142-Y187 HydrophobicContact CZ-CE2 3.72Å; V174-Y187 HydrophobicContact CG2-CE2 3.73Å; P185-Y187 HydrophobicContact CB-CD1 3.97Å; P185-Y187 HydrophobicContact CB-CD2 4.12Å; P185-Y187 HydrophobicContact CB-CE1 3.55Å; P185-Y187 HydrophobicContact CB-CE2 3.7Å; P185-Y187 HydrophobicContact CB-CG 4.26Å; P185-Y187 HydrophobicContact CG-CE2 4.27Å; P185-Y187 PolarHBondContact O-N 3.14Å
188C95.6Very high91.9Very high24 Ų2469.9 Ų69.916%0.16237%0.372CS..  trans-91.4134.8175.4-75.30000110.8K148 Y149 V174 P185K148-C188 CarbonylContact O-C 3.6Å; K148-C188 WeakPolarHBondContact O-CA 3.45Å; Y149-C188 PolarHBondContact O-SG 2.78Å; Y149-C188 VanDerWaalsContact O-SG 3.41Å; V174-C188 VanDerWaalsContact CG2-SG 3.52Å; P185-C188 HydrophobicContact CG-CB 3.97Å; P185-C188 WeakPolarHBondContact CG-SG 3.15Å; P185-C188 PolarHBondContact O-N 3.34Å; P185-C188 VanDerWaalsContact O-N 3.17Å
189E95.1Very high92Very high111 Ų11171.2 Ų71.252%0.51938%0.377SS..SBendtrans-83.4-24179.7-57.892.7179.900112.8K148K148-E189 VanDerWaalsContact CA-OE2 3.27Å; K148-E189 WeakPolarHBondContact CA-OE2 3.3Å; K148-E189 WeakPolarHBondContact CB-OE2 3.34Å; K148-E189 WeakPolarHBondContact CD-OE1 3.4Å; K148-E189 PolarHBondContact N-OE2 2.74Å; K148-E189 IonicContact NZ-OE1 3.6Å; K148-E189 PolarHBondContact O-N 3.45Å
190E94.7Very high92.5Very high79 Ų7972.4 Ų72.437%0.36938%0.384SS..EExtended strand (participates in β ladder)trans-148.9145-174-172.8177.7166.400112.6K147 Y149 S150K147-E190 IonicContact NZ-OE2 2.82Å; K147-E190 PolarHBondContact NZ-OE2 3.3Å; Y149-E190 WeakPolarHBondContact CA-O 3.44Å; Y149-E190 HydrophobicContact CD1-CB 3.87Å; Y149-E190 HydrophobicContact CD1-CG 4.36Å; Y149-E190 HydrophobicContact CE1-CB 4.13Å; Y149-E190 HydrophobicContact CE1-CG 4.48Å; S150-E190 PolarHBondContact N-O 2.81Å
191E95.5Very high93.1Very high66 Ų6668.6 Ų68.631%0.30837%0.368SS..EExtended strand (participates in β ladder)trans-97.2125.5171.9-76-170.8-160.900110.8S150 S152 A155S150-E191 CarbonylContact O-C 3.54Å; S150-E191 WeakPolarHBondContact O-CA 3.48Å; S150-E191 WeakPolarHBondContact OG-CG 3.37Å; S152-E191 VanDerWaalsContact CB-OE2 3.23Å; S152-E191 WeakPolarHBondContact CB-OE2 3.19Å; S152-E191 PolarHBondContact OG-OE2 2.8Å; A155-E191 HydrophobicContact CB-CB 3.85Å
192L96.4Very high93.8Very high1 Ų165.5 Ų65.51%0.00534%0.335CS..EExtended strand (participates in β ladder)trans-98.1123.8178.3-56.4175.9000110.8Y149 S150 T151 S152 T159 I164 I173 I194Y149-L192 VanDerWaalsContact CB-CD1 3.49Å; Y149-L192 HydrophobicContact CD1-CD1 4Å; Y149-L192 HydrophobicContact CD1-CD2 3.61Å; Y149-L192 HydrophobicContact CD1-CG 3.85Å; Y149-L192 HydrophobicContact CE1-CD2 4.07Å; Y149-L192 HydrophobicContact CG-CD1 3.8Å; Y149-L192 HydrophobicContact CG-CD2 4.28Å; Y149-L192 HydrophobicContact CG-CG 4.09Å; S150-L192 PolarHBondContact O-N 3.38Å; T151-L192 WeakPolarHBondContact CA-O 3.4Å; S152-L192 PolarHBondContact N-O 3.1Å; T159-L192 HydrophobicContact CG2-CD2 3.88Å; I164-L192 HydrophobicContact CD1-CD1 3.55Å; I164-L192 HydrophobicContact CD1-CD2 4.2Å; I164-L192 HydrophobicContact CG2-CD2 4.46Å; I173-L192 HydrophobicContact CD1-CD1 4.47Å; L192-I194 HydrophobicContact CB-CG1 4.47Å
193K96.7Very high94.4Very high36 Ų3664.6 Ų64.616%0.15733%0.333CS..BIsolated β-bridgetrans-98.2109.1163.7173.7174172.9-175.20109.3S152 A155 N157 L158 T159 S195 N196S152-K193 WeakPolarHBondContact O-CA 3.02Å; S152-K193 WeakPolarHBondContact O-CB 3.27Å; A155-K193 HydrophobicContact CB-CB 3.68Å; A155-K193 WeakPolarHBondContact O-CD 3.45Å; N157-K193 WeakPolarHBondContact O-CB 3.21Å; L158-K193 WeakPolarHBondContact CA-O 3.48Å; L158-K193 HydrophobicContact CD1-CG 4.34Å; L158-K193 WeakPolarHBondContact CD1-O 3.42Å; T159-K193 PolarHBondContact N-O 3.39Å; K193-S195 WeakPolarHBondContact CE-O 2.98Å; K193-S195 WeakPolarHBondContact CG-O 3.3Å; K193-N196 WeakPolarHBondContact CE-OD1 3.44Å; K193-N196 PolarHBondContact NZ-OD1 3.28Å; K193-N196 VanDerWaalsContact NZ-OD1 3.14Å
194I96Very high94.9Very high28 Ų2864.6 Ų64.614%0.14433%0.334CS..  trans-85.7-18.5-175.4-65.8166.7000112T151 I161 L192 L199 V204 K207 I208T151-I194 HydrophobicContact CG2-CD1 3.65Å; I161-I194 HydrophobicContact CD1-CB 4.31Å; I161-I194 HydrophobicContact CD1-CD1 3.79Å; I161-I194 HydrophobicContact CD1-CG1 3.75Å; I161-I194 HydrophobicContact CD1-CG2 3.64Å; I161-I194 HydrophobicContact CG1-CD1 4.25Å; I161-I194 HydrophobicContact CG1-CG1 3.85Å; I161-I194 HydrophobicContact CG1-CG2 4.35Å; L192-I194 HydrophobicContact CB-CG1 4.47Å; I194-L199 HydrophobicContact CG2-CD1 4.42Å; I194-V204 HydrophobicContact CD1-CG1 3.75Å; I194-K207 HydrophobicContact CG2-CB 4.23Å; I194-K207 HydrophobicContact CG2-CD 3.88Å; I194-I208 HydrophobicContact CD1-CD1 4.05Å; I194-I208 HydrophobicContact CD1-CG1 3.88Å
195S96Very high95.5Very high21 Ų2158 Ų5815%0.14731%0.305CS..  trans-155.7147.6-175.3168.80000111K193 Y197K193-S195 WeakPolarHBondContact CE-O 2.98Å; K193-S195 WeakPolarHBondContact CG-O 3.3Å; S195-Y197 WeakPolarHBondContact CB-O 3.36Å; S195-Y197 PolarHBondContact OG-N 3.4Å; S195-Y197 PolarHBondContact OG-O 2.65Å
196N94.6Very high95.9Very high110 Ų11058.6 Ų58.659%0.58831%0.311SS*.SBendtrans-74.5-15169.1-75.2-37.5000113K193K193-N196 WeakPolarHBondContact CE-OD1 3.44Å; K193-N196 PolarHBondContact NZ-OD1 3.28Å; K193-N196 VanDerWaalsContact NZ-OD1 3.14Å
197Y94.1Very high96.2Very high190 Ų19055.1 Ų55.175%0.74529%0.289SS*.SBendtrans-103.5146.6173.7-56.4-77.9000110.8S195 L199S195-Y197 WeakPolarHBondContact CB-O 3.36Å; S195-Y197 PolarHBondContact OG-N 3.4Å; S195-Y197 PolarHBondContact OG-O 2.65Å; Y197-L199 PolarHBondContact O-N 3.02Å
198S91.7Very high96.4Very high109 Ų10953.7 Ų53.776%0.76228%0.283SS*.  trans-59127.6169.5-60.20000110.4
199L95.4Very high96.6Very high51 Ų5152.6 Ų52.627%0.26728%0.276SS..  trans-113.8150.7178.4-56.1-175.1000109.7I194 Y197 L203 V204 K207I194-L199 HydrophobicContact CG2-CD1 4.42Å; Y197-L199 PolarHBondContact O-N 3.02Å; L199-L203 HydrophobicContact CB-CD2 4.45Å; L199-L203 HydrophobicContact CD1-CG 4.46Å; L199-L203 HydrophobicContact CD2-CD2 3.85Å; L199-V204 HydrophobicContact CB-CG2 3.75Å; L199-V204 HydrophobicContact CD1-CG2 4.16Å; L199-K207 HydrophobicContact CD1-CD 3.83Å
200S96.6Very high96.7Very high63 Ų6350 Ų5044%0.44127%0.267SS..  trans-65.8150.5165.567.20000110.1A202 L203 V204S200-A202 PolarHBondContact O-N 3.42Å; S200-L203 PolarHBondContact O-N 2.83Å; S200-L203 WeakPolarHBondContact OG-CB 3.35Å; S200-L203 PolarHBondContact OG-N 3.47Å; S200-V204 WeakPolarHBondContact O-CG2 3.46Å; S200-V204 PolarHBondContact O-N 3.32Å
201A97.9Very high96.9Very high12 Ų1246.4 Ų46.410%0.09925%0.251CS..Hα-helixtrans-54.7-36.717600000112.3I62 S66 V175 G176 V204 C205I62-A201 HydrophobicContact CG2-CB 3.61Å; S66-A201 WeakPolarHBondContact OG-CB 3.43Å; V175-A201 HydrophobicContact CG1-CB 4.15Å; G176-A201 WeakPolarHBondContact O-CB 3.47Å; A201-V204 WeakPolarHBondContact O-CB 3.34Å; A201-V204 PolarHBondContact O-N 3.01Å; A201-C205 PolarHBondContact O-N 2.94Å; A201-C205 PolarHBondContact O-SG 2.95Å
202A98.4Very high97Very high9 Ų943.2 Ų43.27%0.07424%0.236CC..Hα-helixtrans-63.6-42.3176.700000112.5Q65 S66 M69 S200 C205 A206Q65-A202 HydrophobicContact CB-CB 3.8Å; S66-A202 PolarHBondContact OG-N 3.31Å; M69-A202 HydrophobicContact CG-CB 3.86Å; S200-A202 PolarHBondContact O-N 3.42Å; A202-C205 WeakPolarHBondContact O-CB 3.37Å; A202-C205 PolarHBondContact O-N 2.95Å; A202-A206 PolarHBondContact O-N 3.33Å
203L98Very high97.1Very high79 Ų7943.7 Ų43.741%0.41424%0.238SC..Hα-helixtrans-71.1-34.1176.9-177.756.8000112L199 S200 A206 K207L199-L203 HydrophobicContact CB-CD2 4.45Å; L199-L203 HydrophobicContact CD1-CG 4.46Å; L199-L203 HydrophobicContact CD2-CD2 3.85Å; S200-L203 PolarHBondContact O-N 2.83Å; S200-L203 WeakPolarHBondContact OG-CB 3.35Å; S200-L203 PolarHBondContact OG-N 3.47Å; L203-A206 PolarHBondContact O-N 2.91Å; L203-K207 WeakPolarHBondContact O-CG 3.33Å; L203-K207 PolarHBondContact O-N 3.28Å
204V98.2Very high97.1Very high16 Ų1646.1 Ų46.110%0.09725%0.25CS..Hα-helixtrans-59.7-49.5170.1171.90000110.3T151 V175 I194 L199 S200 A201 A206 K207 I208T151-V204 HydrophobicContact CG2-CG1 4.04Å; V175-V204 HydrophobicContact CG1-CB 4.16Å; V175-V204 HydrophobicContact CG1-CG1 3.82Å; V175-V204 HydrophobicContact CG2-CG1 3.92Å; I194-V204 HydrophobicContact CD1-CG1 3.75Å; L199-V204 HydrophobicContact CB-CG2 3.75Å; L199-V204 HydrophobicContact CD1-CG2 4.16Å; S200-V204 WeakPolarHBondContact O-CG2 3.46Å; S200-V204 PolarHBondContact O-N 3.32Å; A201-V204 WeakPolarHBondContact O-CB 3.34Å; A201-V204 PolarHBondContact O-N 3.01Å; V204-A206 VanDerWaalsContact C-N 3.34Å; V204-A206 PolarHBondContact O-N 3.39Å; V204-K207 PolarHBondContact O-N 2.9Å; V204-I208 HydrophobicContact CG1-CD1 3.68Å; V204-I208 HydrophobicContact CG1-CG1 4.44Å; V204-I208 VanDerWaalsContact O-CG1 3.31Å; V204-I208 WeakPolarHBondContact O-CG1 3.43Å; V204-I208 PolarHBondContact O-N 3.19Å
205C98.7Very high97.1Very high0 Ų047 Ų470%026%0.261CS..Hα-helixtrans-56.6-46.6176.3-68.60000111.9L70 A201 A202 K207 I208 C209L70-C205 HydrophobicContact CD1-CB 4.46Å; L70-C205 HydrophobicContact CD2-CB 3.67Å; L70-C205 HydrophobicContact CG-CB 3.79Å; A201-C205 PolarHBondContact O-N 2.94Å; A201-C205 PolarHBondContact O-SG 2.95Å; A202-C205 WeakPolarHBondContact O-CB 3.37Å; A202-C205 PolarHBondContact O-N 2.95Å; C205-K207 PolarHBondContact O-N 3.44Å; C205-I208 PolarHBondContact O-N 3Å; C205-C209 PolarHBondContact O-N 2.86Å
206A98.5Very high97.1Very high28 Ų2847 Ų4723%0.23126%0.258CS..Hα-helixtrans-59.8-47.1178.200000112A202 L203 V204 I208 C209 T210A202-A206 PolarHBondContact O-N 3.33Å; L203-A206 PolarHBondContact O-N 2.91Å; V204-A206 VanDerWaalsContact C-N 3.34Å; V204-A206 PolarHBondContact O-N 3.39Å; A206-I208 VanDerWaalsContact C-N 3.34Å; A206-I208 PolarHBondContact O-N 3.47Å; A206-C209 PolarHBondContact O-N 3.38Å; A206-T210 PolarHBondContact O-N 3.12Å; A206-T210 PolarHBondContact O-OG1 3.02Å; A206-T210 VanDerWaalsContact O-OG1 3.06Å
207K98.2Very high97.2Very high95 Ų9544.7 Ų44.741%0.41326%0.261SS..Hα-helixtrans-63.1-38.5178.2-76-178.1175.6-68.30113I161 I194 L199 L203 V204 C205 A211I161-K207 HydrophobicContact CD1-CB 4.23Å; I194-K207 HydrophobicContact CG2-CB 4.23Å; I194-K207 HydrophobicContact CG2-CD 3.88Å; L199-K207 HydrophobicContact CD1-CD 3.83Å; L203-K207 WeakPolarHBondContact O-CG 3.33Å; L203-K207 PolarHBondContact O-N 3.28Å; V204-K207 PolarHBondContact O-N 2.9Å; C205-K207 PolarHBondContact O-N 3.44Å; K207-A211 WeakPolarHBondContact O-CB 3.36Å; K207-A211 PolarHBondContact O-N 3.29Å; K207-A211 VanDerWaalsContact O-N 3.1Å
208I98.6Very high97.2Very high0 Ų038.1 Ų38.10%024%0.238CC..Hα-helixtrans-63-52.1174.4-67.2161.9000109.8L18 T151 I161 I173 V175 I194 V204 C205 A206 T210 A211 F212L18-I208 HydrophobicContact CD1-CG2 4.29Å; L18-I208 HydrophobicContact CD2-CG2 3.57Å; T151-I208 HydrophobicContact CG2-CD1 4.17Å; I161-I208 HydrophobicContact CD1-CG1 3.9Å; I173-I208 HydrophobicContact CD1-CG2 3.77Å; I173-I208 HydrophobicContact CG2-CD1 3.68Å; V175-I208 HydrophobicContact CG2-CD1 3.63Å; I194-I208 HydrophobicContact CD1-CD1 4.05Å; I194-I208 HydrophobicContact CD1-CG1 3.88Å; V204-I208 HydrophobicContact CG1-CD1 3.68Å; V204-I208 HydrophobicContact CG1-CG1 4.44Å; V204-I208 VanDerWaalsContact O-CG1 3.31Å; V204-I208 WeakPolarHBondContact O-CG1 3.43Å; V204-I208 PolarHBondContact O-N 3.19Å; C205-I208 PolarHBondContact O-N 3Å; A206-I208 VanDerWaalsContact C-N 3.34Å; A206-I208 PolarHBondContact O-N 3.47Å; I208-T210 VanDerWaalsContact C-N 3.35Å; I208-T210 PolarHBondContact O-N 3.04Å; I208-A211 PolarHBondContact O-N 3.46Å; I208-F212 HydrophobicContact CG2-CD2 4.03Å; I208-F212 HydrophobicContact CG2-CE2 4.1Å; I208-F212 WeakPolarHBondContact O-CD2 3.37Å; I208-F212 PolarHBondContact O-N 2.76Å; I208-F212 VanDerWaalsContact O-N 3.15Å
209C98.5Very high96.8Very high1 Ų138.7 Ų38.71%0.00724%0.241CC..Hα-helixtrans-55.5-49.9178.6-75.10000111.4S73 C205 A206 A211 F212 E213S73-C209 PolarHBondContact OG-SG 3.24Å; C205-C209 PolarHBondContact O-N 2.86Å; A206-C209 PolarHBondContact O-N 3.38Å; C209-A211 VanDerWaalsContact C-N 3.32Å; C209-A211 PolarHBondContact O-N 3.07Å; C209-F212 PolarHBondContact O-N 3.44Å; C209-F212 VanDerWaalsContact O-N 3.17Å; C209-E213 WeakPolarHBondContact O-CB 3.39Å; C209-E213 VanDerWaalsContact O-CD 3.27Å; C209-E213 WeakPolarHBondContact O-CG 3.36Å; C209-E213 PolarHBondContact O-N 3.48Å
210T98.4Very high96.9Very high56 Ų5638.1 Ų38.134%0.34424%0.239SC..Hα-helixtrans-57.8-41.8179.4-590000112.8A206 I208 F212 E213 E214A206-T210 PolarHBondContact O-N 3.12Å; A206-T210 PolarHBondContact O-OG1 3.02Å; A206-T210 VanDerWaalsContact O-OG1 3.06Å; I208-T210 VanDerWaalsContact C-N 3.35Å; I208-T210 PolarHBondContact O-N 3.04Å; T210-F212 PolarHBondContact O-N 3.37Å; T210-E213 WeakPolarHBondContact CA-OE2 3.48Å; T210-E213 PolarHBondContact O-N 3.43Å; T210-E214 WeakPolarHBondContact CG2-OE1 3.44Å; T210-E214 WeakPolarHBondContact O-CG 3.48Å; T210-E214 PolarHBondContact O-N 2.84Å
211A98.1Very high96.9Very high3 Ų336.7 Ų36.73%0.02523%0.229CC..Hα-helixtrans-64.5-40.8178.800000112.7I161 R162 K207 I208 C209 A215I161-A211 HydrophobicContact CB-CB 3.58Å; I161-A211 HydrophobicContact CG2-CB 3.49Å; I161-A211 VanDerWaalsContact CG2-CB 3.49Å; R162-A211 HydrophobicContact CG-CB 3.95Å; K207-A211 WeakPolarHBondContact O-CB 3.36Å; K207-A211 PolarHBondContact O-N 3.29Å; K207-A211 VanDerWaalsContact O-N 3.1Å; I208-A211 PolarHBondContact O-N 3.46Å; C209-A211 VanDerWaalsContact C-N 3.32Å; C209-A211 PolarHBondContact O-N 3.07Å; A211-A215 VanDerWaalsContact O-CB 3.28Å; A211-A215 WeakPolarHBondContact O-CB 3.1Å; A211-A215 PolarHBondContact O-N 2.66Å; A211-A215 VanDerWaalsContact O-N 3.1Å
212F98.1Very high96.8Very high0 Ų038.1 Ų38.10%024%0.236CC..Hα-helixtrans-70.9-37.1175.6-84.1-103.4000112.2L18 L75 I161 V165 T171 I173 I208 C209 T210 W216L18-F212 HydrophobicContact CB-CD1 3.98Å; L18-F212 HydrophobicContact CB-CE1 4.15Å; L18-F212 HydrophobicContact CB-CG 4.4Å; L18-F212 HydrophobicContact CD1-CD1 4.36Å; L18-F212 HydrophobicContact CD1-CD2 4.34Å; L18-F212 HydrophobicContact CD1-CE1 3.92Å; L18-F212 HydrophobicContact CD1-CE2 3.9Å; L18-F212 HydrophobicContact CD1-CZ 3.68Å; L18-F212 HydrophobicContact CD2-CD1 4.47Å; L18-F212 HydrophobicContact CD2-CD2 4.08Å; L18-F212 HydrophobicContact CD2-CE2 4.42Å; L18-F212 HydrophobicContact CD2-CG 4.1Å; L18-F212 HydrophobicContact CG-CD1 4.47Å; L18-F212 HydrophobicContact CG-CE1 4.48Å; L75-F212 HydrophobicContact CD1-CB 4.28Å; L75-F212 HydrophobicContact CD2-CB 3.9Å; I161-F212 HydrophobicContact CG2-CD2 4.31Å; I161-F212 HydrophobicContact CG2-CE2 4.06Å; V165-F212 HydrophobicContact CB-CD1 4.49Å; V165-F212 HydrophobicContact CB-CE1 4.38Å; V165-F212 HydrophobicContact CB-CZ 4.46Å; V165-F212 HydrophobicContact CG1-CD1 3.63Å; V165-F212 HydrophobicContact CG1-CE1 3.75Å; V165-F212 HydrophobicContact CG1-CG 4.12Å; V165-F212 HydrophobicContact CG1-CZ 4.31Å; V165-F212 HydrophobicContact CG2-CD1 4.15Å; V165-F212 HydrophobicContact CG2-CD2 3.69Å; V165-F212 HydrophobicContact CG2-CE1 4.16Å; V165-F212 HydrophobicContact CG2-CE2 3.69Å; V165-F212 HydrophobicContact CG2-CG 3.94Å; V165-F212 HydrophobicContact CG2-CZ 3.93Å; T171-F212 HydrophobicContact CG2-CZ 3.97Å; I173-F212 HydrophobicContact CD1-CE2 3.59Å; I173-F212 HydrophobicContact CD1-CZ 3.93Å; I208-F212 HydrophobicContact CG2-CD2 4.03Å; I208-F212 HydrophobicContact CG2-CE2 4.1Å; I208-F212 WeakPolarHBondContact O-CD2 3.37Å; I208-F212 PolarHBondContact O-N 2.76Å; I208-F212 VanDerWaalsContact O-N 3.15Å; C209-F212 PolarHBondContact O-N 3.44Å; C209-F212 VanDerWaalsContact O-N 3.17Å; T210-F212 PolarHBondContact O-N 3.37Å; F212-W216 HydrophobicContact CB-CE3 4.49Å; F212-W216 HydrophobicContact CD1-CD2 4.37Å; F212-W216 HydrophobicContact CD1-CE3 4.25Å; F212-W216 AromaticContact CD1-CH2 3.44Å; F212-W216 HydrophobicContact CD1-CH2 3.44Å; F212-W216 VanDerWaalsContact CD1-CH2 3.44Å; F212-W216 AromaticContact CD1-CZ2 3.57Å; F212-W216 HydrophobicContact CD1-CZ2 3.57Å; F212-W216 AromaticContact CD1-CZ3 3.81Å; F212-W216 HydrophobicContact CD1-CZ3 3.81Å; F212-W216 AromaticContact CE1-CH2 3.84Å; F212-W216 HydrophobicContact CE1-CH2 3.84Å; F212-W216 AromaticContact CE1-CZ2 3.81Å; F212-W216 HydrophobicContact CE1-CZ2 3.81Å; F212-W216 VanDerWaalsContact O-CB 3.31Å; F212-W216 WeakPolarHBondContact O-CB 3.38Å; F212-W216 PolarHBondContact O-N 3.19Å
213E98Very high96.7Very high10 Ų1039.8 Ų39.85%0.04725%0.245CC..Hα-helixtrans-60.9-46.7177.5-72.4157.9-179.300111.2S73 P74 L75 C209 T210 G217 I218S73-E213 WeakPolarHBondContact CB-OE1 3.42Å; S73-E213 PolarHBondContact OG-OE1 3.09Å; P74-E213 HydrophobicContact CB-CG 4.16Å; P74-E213 WeakPolarHBondContact CD-OE1 3.24Å; L75-E213 HydrophobicContact CB-CG 3.75Å; L75-E213 WeakPolarHBondContact CB-OE1 3.32Å; L75-E213 HydrophobicContact CD1-CG 4.33Å; L75-E213 PolarHBondContact N-OE1 3.37Å; C209-E213 WeakPolarHBondContact O-CB 3.39Å; C209-E213 VanDerWaalsContact O-CD 3.27Å; C209-E213 WeakPolarHBondContact O-CG 3.36Å; C209-E213 PolarHBondContact O-N 3.48Å; T210-E213 WeakPolarHBondContact CA-OE2 3.48Å; T210-E213 PolarHBondContact O-N 3.43Å; E213-G217 PolarHBondContact O-N 3.2Å; E213-G217 VanDerWaalsContact O-N 3.14Å; E213-I218 HydrophobicContact CB-CB 4.22Å; E213-I218 HydrophobicContact CG-CB 4.44Å; E213-I218 HydrophobicContact CG-CD1 4.35Å; E213-I218 PolarHBondContact O-N 3.21Å
214E96.9Very high96.6Very high87 Ų8737.4 Ų37.441%0.40724%0.235SC..Hα-helixtrans-70.7-44.6177.9-70.1-177.8-148.300112.7R162 T210 W216 G217 C219R162-E214 IonicContact CZ-OE1 2.81Å; R162-E214 IonicContact CZ-OE2 2.65Å; R162-E214 IonicContact NE-OE2 3.69Å; R162-E214 PolarHBondContact NE-OE2 3.3Å; R162-E214 IonicContact NH2-OE1 3.67Å; R162-E214 PolarHBondContact NH2-OE1 3.27Å; R162-E214 IonicContact NH2-OE2 2.74Å; R162-E214 PolarHBondContact NH2-OE2 2.87Å; T210-E214 WeakPolarHBondContact CG2-OE1 3.44Å; T210-E214 WeakPolarHBondContact O-CG 3.48Å; T210-E214 PolarHBondContact O-N 2.84Å; E214-W216 PolarHBondContact O-N 3.33Å; E214-G217 PolarHBondContact O-N 2.6Å; E214-G217 VanDerWaalsContact O-N 3.17Å; E214-C219 WeakPolarHBondContact CG-SG 3.37Å
215A96.4Very high96.5Very high46 Ų4638.8 Ų38.838%0.3824%0.244SC..Hα-helixtrans-62.5-30.4179.200000112.5V165 A211V165-A215 HydrophobicContact CB-CB 3.78Å; V165-A215 HydrophobicContact CG1-CB 3.66Å; V165-A215 HydrophobicContact CG2-CB 4.07Å; A211-A215 VanDerWaalsContact O-CB 3.28Å; A211-A215 WeakPolarHBondContact O-CB 3.1Å; A211-A215 PolarHBondContact O-N 2.66Å; A211-A215 VanDerWaalsContact O-N 3.1Å
216W96.4Very high96.4Very high21 Ų2141.6 Ų41.68%0.0826%0.262CS..THydrogen-bonded Turntrans-974.4178.4-66.3-16000114.5K16 L18 L75 L80 V165 P166 F212 E214 I218K16-W216 HydrophobicContact CB-CD2 4.28Å; K16-W216 HydrophobicContact CB-CE3 4.3Å; K16-W216 HydrophobicContact CB-CH2 4.1Å; K16-W216 HydrophobicContact CB-CZ2 4.06Å; K16-W216 HydrophobicContact CB-CZ3 4.22Å; K16-W216 HydrophobicContact CD-CB 4.41Å; K16-W216 HydrophobicContact CD-CD2 4Å; K16-W216 HydrophobicContact CD-CG 3.9Å; K16-W216 HydrophobicContact CG-CD2 4.25Å; K16-W216 HydrophobicContact CG-CZ2 4.24Å; L18-W216 HydrophobicContact CB-CH2 4.42Å; L18-W216 HydrophobicContact CB-CZ3 4.49Å; L75-W216 HydrophobicContact CD1-CE3 3.69Å; L75-W216 HydrophobicContact CD1-CZ3 3.81Å; L80-W216 HydrophobicContact CB-CE3 4.35Å; L80-W216 HydrophobicContact CB-CZ3 4.06Å; L80-W216 HydrophobicContact CD1-CE3 4Å; L80-W216 HydrophobicContact CD1-CZ3 4.48Å; V165-W216 HydrophobicContact CG1-CD2 4.5Å; V165-W216 HydrophobicContact CG1-CZ2 4.11Å; P166-W216 PolarHBondContact O-NE1 3.25Å; F212-W216 HydrophobicContact CB-CE3 4.49Å; F212-W216 HydrophobicContact CD1-CD2 4.37Å; F212-W216 HydrophobicContact CD1-CE3 4.25Å; F212-W216 AromaticContact CD1-CH2 3.44Å; F212-W216 HydrophobicContact CD1-CH2 3.44Å; F212-W216 VanDerWaalsContact CD1-CH2 3.44Å; F212-W216 AromaticContact CD1-CZ2 3.57Å; F212-W216 HydrophobicContact CD1-CZ2 3.57Å; F212-W216 AromaticContact CD1-CZ3 3.81Å; F212-W216 HydrophobicContact CD1-CZ3 3.81Å; F212-W216 AromaticContact CE1-CH2 3.84Å; F212-W216 HydrophobicContact CE1-CH2 3.84Å; F212-W216 AromaticContact CE1-CZ2 3.81Å; F212-W216 HydrophobicContact CE1-CZ2 3.81Å; F212-W216 VanDerWaalsContact O-CB 3.31Å; F212-W216 WeakPolarHBondContact O-CB 3.38Å; F212-W216 PolarHBondContact O-N 3.19Å; E214-W216 PolarHBondContact O-N 3.33Å; W216-I218 HydrophobicContact CB-CD1 4.37Å; W216-I218 HydrophobicContact CB-CG1 4.22Å
217G95.2Very high96.2Very high63 Ų6342.6 Ų42.665%0.64926%0.264SS*.THydrogen-bonded Turntrans6734.1177.100000113.9E213 E214E213-G217 PolarHBondContact O-N 3.2Å; E213-G217 VanDerWaalsContact O-N 3.14Å; E214-G217 PolarHBondContact O-N 2.6Å; E214-G217 VanDerWaalsContact O-N 3.17Å
218I94.7Very high96Very high51 Ų5138.3 Ų38.326%0.26225%0.251SS..  trans-83.7-30175.7-54.3177.3000110.7P74 L75 A78 L80 E213 W216P74-I218 HydrophobicContact CB-CG2 3.82Å; L75-I218 HydrophobicContact CD1-CD1 3.3Å; A78-I218 HydrophobicContact CB-CD1 4.1Å; A78-I218 HydrophobicContact CB-CG2 4.18Å; L80-I218 HydrophobicContact CD1-CD1 3.64Å; L80-I218 HydrophobicContact CD1-CG1 4.38Å; E213-I218 HydrophobicContact CB-CB 4.22Å; E213-I218 HydrophobicContact CG-CB 4.44Å; E213-I218 HydrophobicContact CG-CD1 4.35Å; E213-I218 PolarHBondContact O-N 3.21Å; W216-I218 HydrophobicContact CB-CD1 4.37Å; W216-I218 HydrophobicContact CB-CG1 4.22Å
219C83.3Confident95.8Very high121 Ų12141.7 Ų41.782%0.81827%0.274SS*.  trans-127.60174.663.90000112.3E214E214-C219 WeakPolarHBondContact CG-SG 3.37Å

Retrieved 219 of 219 residues in 130.1 ms (Link to these results)

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