A0A3Q0KUN2_SCHMA Loading...

Calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (Calcium pump),putative

AlphaFold DB , UniProt , Accession A0A3Q0KUN2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 260 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
1M31.2Very low47.9Very low241 Ų241104.5 Ų104.5100%1.18759%0.585SS**  048.30-161.2169.3178.300110.9
2N30.2Very low51.1Low163 Ų163113.2 Ų113.287%0.87260%0.602SS**  trans-155.957175.6-93.5-21.3000109.5
3L33.5Very low53.8Low111 Ų111108.8 Ų108.858%0.58158%0.579SS**  trans-129.970.6172.8-86.7163.5000108.3Y53L3-Y53 WeakPolarHBondContact CD1-OH 3.28Å
4M32.6Very low56.1Low93 Ų93101.5 Ų101.546%0.45854%0.541SS..  trans-159.859.3163.5-79.6-151.8161.400110.2
5T31.4Very low58.4Low133 Ų13397.1 Ų97.182%0.81652%0.518SS*.  trans-147.174.7168.954.70000111.9
6S35.2Very low60.3Low53 Ų53100.6 Ų100.637%0.37152%0.522SS..SBend-174.3120.812965.30000107.1
7T46.4Very low62Low75 Ų7598.5 Ų98.546%0.4651%0.511SS..SBendtrans61.958.3-166.363.30000114.6L9 S92T7-L9 PolarHBondContact O-N 2.64Å; T7-L9 VanDerWaalsContact O-N 3.12Å; T7-S92 WeakPolarHBondContact OG1-CB 3.46Å
8S54.8Low63.4Low83 Ų8393.6 Ų93.658%0.5849%0.485SS*.  trans-71.4109.6-176.547.90000112.2S10S8-S10 PolarHBondContact O-N 3.02Å; S8-S10 VanDerWaalsContact O-N 3.14Å
9L66.1Low64.7Low88 Ų8892.1 Ų92.146%0.46148%0.478SS..  trans-50.8117.9154.6-169.478.4000107.2T7 D13 A14 I17T7-L9 PolarHBondContact O-N 2.64Å; T7-L9 VanDerWaalsContact O-N 3.12Å; L9-D13 HydrophobicContact CD1-CB 3.88Å; L9-D13 HydrophobicContact CG-CB 4.02Å; L9-A14 HydrophobicContact CD2-CB 3.68Å; L9-A14 HydrophobicContact CG-CB 4.3Å; L9-I17 HydrophobicContact CD1-CD1 3.97Å; L9-I17 HydrophobicContact CD2-CD1 4.01Å
10S82.4Confident66Low48 Ų4892.7 Ų92.734%0.33648%0.482SS..  trans-62.3150.7-17880.60000109.3S8 R12 D13 A14S8-S10 PolarHBondContact O-N 3.02Å; S8-S10 VanDerWaalsContact O-N 3.14Å; S10-R12 PolarHBondContact O-N 3.1Å; S10-R12 VanDerWaalsContact O-N 3.09Å; S10-D13 WeakPolarHBondContact CB-OD2 3.07Å; S10-D13 PolarHBondContact O-N 3.34Å; S10-D13 PolarHBondContact OG-N 3.03Å; S10-D13 VanDerWaalsContact OG-N 3.08Å; S10-D13 PolarHBondContact OG-OD2 3.25Å; S10-A14 PolarHBondContact O-N 3.17Å
11I83.5Confident66.8Low61 Ų6193.3 Ų93.331%0.31348%0.481SS..Hα-helixtrans-53.1-35.5176.1-69.7166000110.6A14 D15 I32I11-A14 PolarHBondContact O-N 2.85Å; I11-D15 VanDerWaalsContact O-CB 3.3Å; I11-D15 WeakPolarHBondContact O-CB 3.5Å; I11-D15 PolarHBondContact O-N 2.84Å; I11-I32 HydrophobicContact CG2-CG2 3.99Å
12R85.7Confident69.6Low209 Ų20985.5 Ų85.579%0.78944%0.438SS*.Hα-helixtrans-66.5-41.1177-171179.2-179.8-176.9-0.2112.5S10 R16S10-R12 PolarHBondContact O-N 3.1Å; S10-R12 VanDerWaalsContact O-N 3.09Å; R12-R16 PolarHBondContact O-N 3.32Å
13D86.3Confident72.2Confident56 Ų5683.5 Ų83.530%0.29943%0.432SS..Hα-helixtrans-70-39.7176.5-62.7-47.8000111.3L9 S10 R16 I17L9-D13 HydrophobicContact CD1-CB 3.88Å; L9-D13 HydrophobicContact CG-CB 4.02Å; S10-D13 WeakPolarHBondContact CB-OD2 3.07Å; S10-D13 PolarHBondContact O-N 3.34Å; S10-D13 PolarHBondContact OG-N 3.03Å; S10-D13 VanDerWaalsContact OG-N 3.08Å; S10-D13 PolarHBondContact OG-OD2 3.25Å; D13-R16 WeakPolarHBondContact O-CB 3.43Å; D13-R16 PolarHBondContact O-N 2.66Å; D13-I17 WeakPolarHBondContact O-CG1 3.27Å; D13-I17 PolarHBondContact O-N 3.45Å
14A86.6Confident74.3Confident7 Ų784.3 Ų84.36%0.05844%0.436CS..Hα-helixtrans-62-44.8173.800000111.6L9 S10 I11 R16 I17 L18 I32L9-A14 HydrophobicContact CD2-CB 3.68Å; L9-A14 HydrophobicContact CG-CB 4.3Å; S10-A14 PolarHBondContact O-N 3.17Å; I11-A14 PolarHBondContact O-N 2.85Å; A14-R16 VanDerWaalsContact C-N 3.3Å; A14-R16 PolarHBondContact O-N 3.38Å; A14-I17 PolarHBondContact O-N 3.11Å; A14-L18 VanDerWaalsContact O-CB 3.27Å; A14-L18 WeakPolarHBondContact O-CB 3.17Å; A14-L18 PolarHBondContact O-N 2.79Å; A14-I32 HydrophobicContact CB-CB 3.97Å; A14-I32 HydrophobicContact CB-CD1 4.39Å; A14-I32 HydrophobicContact CB-CG1 3.96Å; A14-I32 HydrophobicContact CB-CG2 3.97Å
15D90.1Very high76.7Confident36 Ų3685.4 Ų85.419%0.19344%0.439CS..Hα-helixtrans-62.9-37.1174.8-73.2-10.7000111.2I11 L18 N19 S31 I32I11-D15 VanDerWaalsContact O-CB 3.3Å; I11-D15 WeakPolarHBondContact O-CB 3.5Å; I11-D15 PolarHBondContact O-N 2.84Å; D15-L18 PolarHBondContact O-N 2.95Å; D15-N19 PolarHBondContact O-N 3.31Å; D15-N19 PolarHBondContact O-ND2 2.99Å; D15-S31 WeakPolarHBondContact OD1-CA 3.29Å; D15-S31 PolarHBondContact OD1-OG 3.09Å; D15-S31 PolarHBondContact OD2-OG 3.14Å; D15-I32 WeakPolarHBondContact OD1-CB 3.18Å; D15-I32 WeakPolarHBondContact OD1-CG2 3.32Å; D15-I32 PolarHBondContact OD1-N 2.87Å
16R89Confident79.2Confident153 Ų15383 Ų8358%0.57743%0.425SS*.Hα-helixtrans-63.2-52175.3-172.4-178.369.5-159.1-4.7111.1R12 D13 A14 L18 N19 D20R12-R16 PolarHBondContact O-N 3.32Å; D13-R16 WeakPolarHBondContact O-CB 3.43Å; D13-R16 PolarHBondContact O-N 2.66Å; A14-R16 VanDerWaalsContact C-N 3.3Å; A14-R16 PolarHBondContact O-N 3.38Å; R16-L18 VanDerWaalsContact C-N 3.27Å; R16-L18 PolarHBondContact O-N 3.29Å; R16-N19 PolarHBondContact O-N 3.48Å; R16-N19 VanDerWaalsContact O-N 3.08Å; R16-D20 PolarHBondContact O-N 3.4Å
17I88.3Confident81.5Confident64 Ų6488.1 Ų88.133%0.32845%0.448SS..Hα-helixtrans-58.5-42.8177.3-70.2162.8000110.5L9 D13 A14 N19 D20 F21L9-I17 HydrophobicContact CD1-CD1 3.97Å; L9-I17 HydrophobicContact CD2-CD1 4.01Å; D13-I17 WeakPolarHBondContact O-CG1 3.27Å; D13-I17 PolarHBondContact O-N 3.45Å; A14-I17 PolarHBondContact O-N 3.11Å; I17-N19 VanDerWaalsContact C-N 3.29Å; I17-N19 PolarHBondContact O-N 2.79Å; I17-D20 WeakPolarHBondContact O-CB 3.41Å; I17-D20 PolarHBondContact O-N 3.16Å; I17-D20 VanDerWaalsContact O-N 3.12Å; I17-F21 HydrophobicContact CG2-CD2 3.79Å; I17-F21 HydrophobicContact CG2-CE2 3.5Å; I17-F21 VanDerWaalsContact CG2-CE2 3.5Å; I17-F21 WeakPolarHBondContact O-CD2 3.48Å; I17-F21 PolarHBondContact O-N 3.32Å
18L87.9Confident83.3Confident11 Ų1186.9 Ų86.96%0.05844%0.439CS..Hα-helixtrans-60.7-39.2177.2-175.458.9000111.8A14 D15 R16 D20 F21 R22 L28 P29 L35A14-L18 VanDerWaalsContact O-CB 3.27Å; A14-L18 WeakPolarHBondContact O-CB 3.17Å; A14-L18 PolarHBondContact O-N 2.79Å; D15-L18 PolarHBondContact O-N 2.95Å; R16-L18 VanDerWaalsContact C-N 3.27Å; R16-L18 PolarHBondContact O-N 3.29Å; L18-D20 VanDerWaalsContact C-N 3.34Å; L18-F21 PolarHBondContact O-N 3.18Å; L18-R22 WeakPolarHBondContact O-CG 3.49Å; L18-R22 PolarHBondContact O-N 2.83Å; L18-L28 HydrophobicContact CD1-CB 4.23Å; L18-L28 HydrophobicContact CD1-CD1 4.1Å; L18-P29 WeakPolarHBondContact CD2-O 3.14Å; L18-P29 WeakPolarHBondContact CG-O 3.44Å; L18-L35 HydrophobicContact CD1-CD2 4.2Å; L18-L35 HydrophobicContact CD2-CB 4.46Å
19N88.5Confident84.8Confident65 Ų6584.7 Ų84.735%0.34842%0.422SS..Hα-helixtrans-67.8-32.7175.1-76.8-56000112.9D15 R16 I17 F21 R22D15-N19 PolarHBondContact O-N 3.31Å; D15-N19 PolarHBondContact O-ND2 2.99Å; R16-N19 PolarHBondContact O-N 3.48Å; R16-N19 VanDerWaalsContact O-N 3.08Å; I17-N19 VanDerWaalsContact C-N 3.29Å; I17-N19 PolarHBondContact O-N 2.79Å; N19-F21 VanDerWaalsContact C-N 3.34Å; N19-R22 WeakPolarHBondContact O-CB 3.39Å; N19-R22 PolarHBondContact O-N 3.47Å; N19-R22 PolarHBondContact OD1-NH1 2.83Å
20D89.4Confident85.9Confident104 Ų10484.5 Ų84.556%0.55643%0.425SS*.Hα-helixtrans-64.1-41.7172.3-60.8-29.1000110.6R16 I17 L18 R22 V23R16-D20 PolarHBondContact O-N 3.4Å; I17-D20 WeakPolarHBondContact O-CB 3.41Å; I17-D20 PolarHBondContact O-N 3.16Å; I17-D20 VanDerWaalsContact O-N 3.12Å; L18-D20 VanDerWaalsContact C-N 3.34Å; D20-R22 VanDerWaalsContact C-N 3.27Å; D20-R22 PolarHBondContact O-N 3.16Å; D20-V23 WeakPolarHBondContact O-CB 3.43Å; D20-V23 WeakPolarHBondContact O-CG2 3.44Å; D20-V23 PolarHBondContact O-N 2.82Å
21F84.7Confident86.2Confident106 Ų10683.3 Ų83.347%0.46542%0.416SS..Hα-helixtrans-65.1-28.8174.3-78.1-69.7000113.5I17 L18 N19 V23 L24 F25 L28I17-F21 HydrophobicContact CG2-CD2 3.79Å; I17-F21 HydrophobicContact CG2-CE2 3.5Å; I17-F21 VanDerWaalsContact CG2-CE2 3.5Å; I17-F21 WeakPolarHBondContact O-CD2 3.48Å; I17-F21 PolarHBondContact O-N 3.32Å; L18-F21 PolarHBondContact O-N 3.18Å; N19-F21 VanDerWaalsContact C-N 3.34Å; F21-V23 PolarHBondContact O-N 3.34Å; F21-L24 PolarHBondContact O-N 3.28Å; F21-F25 PolarHBondContact O-N 3.47Å; F21-L28 HydrophobicContact CB-CD1 3.86Å
22R88.4Confident86.3Confident77 Ų7781.9 Ų81.929%0.29141%0.409SS..Hα-helixtrans-64.7-19.8177.8-75.4175.881-132.9-7.7113.6L18 N19 D20 L24 F25 P26 L28L18-R22 WeakPolarHBondContact O-CG 3.49Å; L18-R22 PolarHBondContact O-N 2.83Å; N19-R22 WeakPolarHBondContact O-CB 3.39Å; N19-R22 PolarHBondContact O-N 3.47Å; N19-R22 PolarHBondContact OD1-NH1 2.83Å; D20-R22 VanDerWaalsContact C-N 3.27Å; D20-R22 PolarHBondContact O-N 3.16Å; R22-L24 PolarHBondContact O-N 2.89Å; R22-F25 WeakPolarHBondContact CA-O 3.45Å; R22-F25 CarbonylContact O-C 3.46Å; R22-F25 PolarHBondContact O-N 2.94Å; R22-P26 VanDerWaalsContact O-CA 3.3Å; R22-P26 WeakPolarHBondContact O-CA 3.22Å; R22-L28 WeakPolarHBondContact CD-O 3.45Å; R22-L28 HydrophobicContact CG-CB 3.69Å; R22-L28 PolarHBondContact NE-O 3.03Å
23V86Confident86.3Confident121 Ų12179.2 Ų79.273%0.73340%0.399SS*.THydrogen-bonded Turntrans-60.9-37.8170.3-179.50000110.8D20 F21D20-V23 WeakPolarHBondContact O-CB 3.43Å; D20-V23 WeakPolarHBondContact O-CG2 3.44Å; D20-V23 PolarHBondContact O-N 2.82Å; F21-V23 PolarHBondContact O-N 3.34Å
24L77.8Confident86.2Confident128 Ų12879.1 Ų79.167%0.6740%0.403SS*.THydrogen-bonded Turntrans-90.9-29.1178-61176.8000112.6F21 R22F21-L24 PolarHBondContact O-N 3.28Å; R22-L24 PolarHBondContact O-N 2.89Å
25F81.7Confident85.9Confident116 Ų11680.9 Ų80.951%0.50941%0.411SS..  trans-132.980.3-176.5-52.5-73.7000110.9F21 R22 D27 L28F21-F25 PolarHBondContact O-N 3.47Å; R22-F25 WeakPolarHBondContact CA-O 3.45Å; R22-F25 CarbonylContact O-C 3.46Å; R22-F25 PolarHBondContact O-N 2.94Å; F25-D27 PolarHBondContact O-N 2.76Å; F25-L28 HydrophobicContact CB-CD1 3.7Å; F25-L28 HydrophobicContact CB-CG 3.84Å; F25-L28 HydrophobicContact CD2-CD1 4.24Å; F25-L28 HydrophobicContact CG-CD1 4.36Å; F25-L28 WeakPolarHBondContact O-CB 3.16Å; F25-L28 PolarHBondContact O-N 3.49Å
26P84.3Confident85.1Confident82 Ų8284.3 Ų84.353%0.53243%0.429SS..THydrogen-bonded Turntrans-58.3-28.3-170.5-25.534.4000114.5R22 L28R22-P26 VanDerWaalsContact O-CA 3.3Å; R22-P26 WeakPolarHBondContact O-CA 3.22Å; P26-L28 VanDerWaalsContact C-N 3.26Å; P26-L28 PolarHBondContact O-N 3.25Å
27D84.3Confident84.4Confident161 Ų16186.5 Ų86.586%0.86144%0.437SS*.THydrogen-bonded Turntrans-77.2-8-177.6-54.5-36.9000113.4F25F25-D27 PolarHBondContact O-N 2.76Å
28L84.2Confident83.1Confident49 Ų4988.1 Ų88.126%0.25745%0.45SS..SBendtrans-62.4141.1174.5-77.1173000110.1L18 F21 R22 F25 P26 L35L18-L28 HydrophobicContact CD1-CB 4.23Å; L18-L28 HydrophobicContact CD1-CD1 4.1Å; F21-L28 HydrophobicContact CB-CD1 3.86Å; R22-L28 WeakPolarHBondContact CD-O 3.45Å; R22-L28 HydrophobicContact CG-CB 3.69Å; R22-L28 PolarHBondContact NE-O 3.03Å; F25-L28 HydrophobicContact CB-CD1 3.7Å; F25-L28 HydrophobicContact CB-CG 3.84Å; F25-L28 HydrophobicContact CD2-CD1 4.24Å; F25-L28 HydrophobicContact CG-CD1 4.36Å; F25-L28 WeakPolarHBondContact O-CB 3.16Å; F25-L28 PolarHBondContact O-N 3.49Å; P26-L28 VanDerWaalsContact C-N 3.26Å; P26-L28 PolarHBondContact O-N 3.25Å; L28-L35 HydrophobicContact CD2-CD1 3.97Å
29P86.4Confident81.7Confident36 Ų3691.5 Ų91.523%0.23447%0.474CS..  trans-55.9149.8174.4-24.833.8000112.4L18 S31 L35L18-P29 WeakPolarHBondContact CD2-O 3.14Å; L18-P29 WeakPolarHBondContact CG-O 3.44Å; P29-S31 PolarHBondContact O-N 3.38Å; P29-L35 HydrophobicContact CG-CB 4.29Å; P29-L35 HydrophobicContact CG-CD1 4.09Å
30T87.7Confident80.3Confident84 Ų8494 Ų9452%0.51549%0.491SS..SBendtrans-72.4-16.6178.550.50000114
31S89.5Confident79.4Confident23 Ų2393.5 Ų93.516%0.16150%0.496CS..SBendtrans-131.8139-178.7179.30000111.4D15 P29 R33 S34 L35D15-S31 WeakPolarHBondContact OD1-CA 3.29Å; D15-S31 PolarHBondContact OD1-OG 3.09Å; D15-S31 PolarHBondContact OD2-OG 3.14Å; P29-S31 PolarHBondContact O-N 3.38Å; S31-R33 PolarHBondContact O-N 2.82Å; S31-R33 PolarHBondContact OG-N 2.94Å; S31-S34 WeakPolarHBondContact O-CA 3.37Å; S31-S34 WeakPolarHBondContact O-CB 3.17Å; S31-S34 PolarHBondContact O-N 2.81Å; S31-L35 PolarHBondContact O-N 3.07Å
32I86.3Confident79.3Confident31 Ų3190.4 Ų90.416%0.15949%0.486CS..Hα-helixtrans-55.7-32.3173.2-161.768.6000110.9I11 A14 D15 S34 L35 L36I11-I32 HydrophobicContact CG2-CG2 3.99Å; A14-I32 HydrophobicContact CB-CB 3.97Å; A14-I32 HydrophobicContact CB-CD1 4.39Å; A14-I32 HydrophobicContact CB-CG1 3.96Å; A14-I32 HydrophobicContact CB-CG2 3.97Å; D15-I32 WeakPolarHBondContact OD1-CB 3.18Å; D15-I32 WeakPolarHBondContact OD1-CG2 3.32Å; D15-I32 PolarHBondContact OD1-N 2.87Å; I32-S34 VanDerWaalsContact C-N 3.33Å; I32-S34 PolarHBondContact O-N 2.83Å; I32-L35 HydrophobicContact CD1-CD2 3.93Å; I32-L35 PolarHBondContact O-N 3.28Å; I32-L36 HydrophobicContact CG1-CD1 4.13Å; I32-L36 HydrophobicContact CG1-CG 4.33Å; I32-L36 WeakPolarHBondContact O-CB 3.44Å; I32-L36 WeakPolarHBondContact O-CG 3.3Å; I32-L36 PolarHBondContact O-N 3.25Å
33R83.9Confident79.2Confident154 Ų15494.3 Ų94.358%0.58151%0.507SS*.Hα-helixtrans-64.4-40.2175.8-67.8-176.9179.3-171.20.8111.8S31 R37S31-R33 PolarHBondContact O-N 2.82Å; S31-R33 PolarHBondContact OG-N 2.94Å; R33-R37 VanDerWaalsContact O-CG 3.3Å; R33-R37 WeakPolarHBondContact O-CG 3.45Å; R33-R37 PolarHBondContact O-N 3.43Å; R33-R37 VanDerWaalsContact O-N 3.08Å
34S84.7Confident79.4Confident53 Ų5391 Ų9137%0.37149%0.488SS..Hα-helixtrans-69.1-42.3177-610000110.6S31 I32 L36 R37 T38S31-S34 WeakPolarHBondContact O-CA 3.37Å; S31-S34 WeakPolarHBondContact O-CB 3.17Å; S31-S34 PolarHBondContact O-N 2.81Å; I32-S34 VanDerWaalsContact C-N 3.33Å; I32-S34 PolarHBondContact O-N 2.83Å; S34-L36 PolarHBondContact O-N 3.3Å; S34-R37 PolarHBondContact O-N 2.88Å; S34-T38 PolarHBondContact O-N 3.47Å; S34-T38 PolarHBondContact O-OG1 2.98Å
35L80.1Confident80.1Confident45 Ų4588.2 Ų88.224%0.23647%0.471CS..Hα-helixtrans-59.1-46.5174.3-170.576.5000111.9L18 L28 P29 S31 I32 R37 T38 C39L18-L35 HydrophobicContact CD1-CD2 4.2Å; L18-L35 HydrophobicContact CD2-CB 4.46Å; L28-L35 HydrophobicContact CD2-CD1 3.97Å; P29-L35 HydrophobicContact CG-CB 4.29Å; P29-L35 HydrophobicContact CG-CD1 4.09Å; S31-L35 PolarHBondContact O-N 3.07Å; I32-L35 HydrophobicContact CD1-CD2 3.93Å; I32-L35 PolarHBondContact O-N 3.28Å; L35-R37 VanDerWaalsContact C-N 3.27Å; L35-R37 PolarHBondContact O-N 2.82Å; L35-T38 PolarHBondContact O-N 3.4Å; L35-T38 PolarHBondContact O-OG1 3.42Å; L35-C39 PolarHBondContact O-N 3.22Å
36L74.6Confident80.6Confident107 Ų10790.2 Ų90.256%0.5648%0.479SS*.Hα-helixtrans-67.5-26.6179-69.5171.9000112.8I32 S34I32-L36 HydrophobicContact CG1-CD1 4.13Å; I32-L36 HydrophobicContact CG1-CG 4.33Å; I32-L36 WeakPolarHBondContact O-CB 3.44Å; I32-L36 WeakPolarHBondContact O-CG 3.3Å; I32-L36 PolarHBondContact O-N 3.25Å; S34-L36 PolarHBondContact O-N 3.3Å
37R73.1Confident80.8Confident200 Ų20086.7 Ų86.776%0.75546%0.456SS*.Hα-helixtrans-72.7-28.8174.3-80.7175.5176.4-175.3-1.5113R33 S34 L35 T40R33-R37 VanDerWaalsContact O-CG 3.3Å; R33-R37 WeakPolarHBondContact O-CG 3.45Å; R33-R37 PolarHBondContact O-N 3.43Å; R33-R37 VanDerWaalsContact O-N 3.08Å; S34-R37 PolarHBondContact O-N 2.88Å; L35-R37 VanDerWaalsContact C-N 3.27Å; L35-R37 PolarHBondContact O-N 2.82Å; R37-T40 WeakPolarHBondContact O-CG2 3.11Å
38T62.4Low80.7Confident98 Ų9883.8 Ų83.860%0.60145%0.448SS*.Hα-helixtrans-80-22.8178.340.80000113.4S34 L35 T40S34-T38 PolarHBondContact O-N 3.47Å; S34-T38 PolarHBondContact O-OG1 2.98Å; L35-T38 PolarHBondContact O-N 3.4Å; L35-T38 PolarHBondContact O-OG1 3.42Å; T38-T40 VanDerWaalsContact C-N 3.26Å; T38-T40 PolarHBondContact O-N 3.03Å
39C58.7Low80.8Confident82 Ų8282.7 Ų82.755%0.55445%0.445SS*.  trans-86.233.8-178.7-730000114.2L35L35-C39 PolarHBondContact O-N 3.22Å
40T58.1Low81.1Confident116 Ų11681.8 Ų81.871%0.71244%0.442SS*.THydrogen-bonded Turntrans-82-8.7-174.346.80000115R37 T38R37-T40 WeakPolarHBondContact O-CG2 3.11Å; T38-T40 VanDerWaalsContact C-N 3.26Å; T38-T40 PolarHBondContact O-N 3.03Å
41S71.5Confident81.3Confident95 Ų9579.3 Ų79.366%0.66443%0.427SS*.THydrogen-bonded Turntrans-83.7-17.9-175.657.40000114.8H43S41-H43 PolarHBondContact O-N 3.06Å; S41-H43 PolarHBondContact O-ND1 3.05Å
42V81.6Confident81.6Confident41 Ų4178.2 Ų78.225%0.24842%0.419CS..  trans-84.1115.4-177.9-177.90000109.6Y53 H54 L55V42-Y53 HydrophobicContact CG1-CD1 4.08Å; V42-H54 VanDerWaalsContact CG1-O 3.27Å; V42-H54 WeakPolarHBondContact CG1-O 3.35Å; V42-L55 HydrophobicContact CG1-CD2 4.33Å; V42-L55 HydrophobicContact CG2-CD2 3.92Å
43H85.6Confident81.9Confident158 Ų15879.6 Ų79.673%0.73142%0.423SS*.  trans-82.7129178.3-68.177.5000109.7S41S41-H43 PolarHBondContact O-N 3.06Å; S41-H43 PolarHBondContact O-ND1 3.05Å
44P90.1Very high82.4Confident53 Ų5373.6 Ų73.634%0.34440%0.401SS..EExtended strand (participates in β ladder)trans-67.9135.3176.226.7-32.2000110.6F46 V51 Y53P44-F46 HydrophobicContact CB-CE2 4.43Å; P44-F46 HydrophobicContact CB-CZ 4.48Å; P44-F46 HydrophobicContact CG-CE2 4.15Å; P44-F46 HydrophobicContact CG-CZ 4.29Å; P44-V51 HydrophobicContact CB-CG1 3.58Å; P44-Y53 HydrophobicContact CB-CD1 4.33Å; P44-Y53 HydrophobicContact CB-CE1 3.7Å; P44-Y53 HydrophobicContact CG-CE1 4.46Å
45K92.8Very high82.8Confident68 Ų6874.3 Ų74.330%0.29640%0.401SS..EExtended strand (participates in β ladder)trans-98.5112.9167.6-174-179.9179.6-175.80108.7I47 Y52 E128K45-I47 HydrophobicContact CG-CG1 4.39Å; K45-I47 PolarHBondContact O-N 3.36Å; K45-Y52 HydrophobicContact CD-CD1 4.43Å; K45-Y52 PolarHBondContact N-O 3.22Å; K45-Y52 PolarHBondContact O-N 2.83Å; K45-E128 PolarHBondContact NZ-O 3.16Å
46F92.3Very high83.3Confident158 Ų15872.4 Ų72.469%0.69339%0.392SS*.EExtended strand (participates in β ladder)trans-77.1120.8175.2-63.9-83.8000109.3P44 V51P44-F46 HydrophobicContact CB-CE2 4.43Å; P44-F46 HydrophobicContact CB-CZ 4.48Å; P44-F46 HydrophobicContact CG-CE2 4.15Å; P44-F46 HydrophobicContact CG-CZ 4.29Å; F46-V51 HydrophobicContact CD1-CG2 3.81Å; F46-V51 HydrophobicContact CE1-CG2 3.89Å
47I89.5Confident84.2Confident8 Ų867.3 Ų67.34%0.04137%0.365CS..EExtended strand (participates in β ladder)trans-111.6150.2176.9-60.9177.6000106.4K45 S49 G50 Y52 Y117 E128 I129K45-I47 HydrophobicContact CG-CG1 4.39Å; K45-I47 PolarHBondContact O-N 3.36Å; I47-S49 PolarHBondContact O-N 3.27Å; I47-G50 PolarHBondContact N-O 3.4Å; I47-G50 CarbonylContact O-C 3.59Å; I47-G50 PolarHBondContact O-N 3.31Å; I47-Y52 HydrophobicContact CD1-CG 4.31Å; I47-Y117 HydrophobicContact CD1-CD2 4.46Å; I47-E128 HydrophobicContact CD1-CB 3.88Å; I47-E128 HydrophobicContact CG1-CB 4.25Å; I47-E128 HydrophobicContact CG2-CB 4.25Å; I47-E128 WeakPolarHBondContact CG2-OE2 3.38Å; I47-I129 HydrophobicContact CD1-CB 4.49Å; I47-I129 HydrophobicContact CD1-CG2 3.41Å; I47-I129 VanDerWaalsContact CD1-CG2 3.41Å
48S82Confident85Confident100 Ų10061.6 Ų61.670%0.69935%0.346SS*.THydrogen-bonded Turntrans-49.1-30.7-170.862.50000115.3
49S85.9Confident86.1Confident26 Ų2661.7 Ų61.718%0.18235%0.346CS..THydrogen-bonded Turntrans-103-3.1-178.958.10000115.3I47 Y117 A124I47-S49 PolarHBondContact O-N 3.27Å; S49-Y117 VanDerWaalsContact CB-OH 3.28Å; S49-Y117 WeakPolarHBondContact CB-OH 3.42Å; S49-Y117 PolarHBondContact O-OH 3Å; S49-Y117 PolarHBondContact OG-OH 2.88Å; S49-A124 PolarHBondContact OG-N 3.15Å
50G91.9Very high87.5Confident17 Ų1758.7 Ų58.718%0.17533%0.325CS..EExtended strand (participates in β ladder)trans174.4-154.4-172.900000115.1I47 E118I47-G50 PolarHBondContact N-O 3.4Å; I47-G50 CarbonylContact O-C 3.59Å; I47-G50 PolarHBondContact O-N 3.31Å; G50-E118 CarbonylContact C-O 3.5Å; G50-E118 VanDerWaalsContact CA-O 3.25Å; G50-E118 WeakPolarHBondContact CA-O 3.48Å
51V93.2Very high88.8Confident32 Ų3253.1 Ų53.119%0.19429%0.291CS..EExtended strand (participates in β ladder)trans-128.2133.7-179.2-172.80000109P44 F46 Y53 Y117 E118P44-V51 HydrophobicContact CB-CG1 3.58Å; F46-V51 HydrophobicContact CD1-CG2 3.81Å; F46-V51 HydrophobicContact CE1-CG2 3.89Å; V51-Y53 HydrophobicContact CB-CE2 4.19Å; V51-Y53 HydrophobicContact CG1-CD2 4.15Å; V51-Y53 HydrophobicContact CG1-CE2 3.52Å; V51-Y117 CarbonylContact O-C 3.57Å; V51-Y117 WeakPolarHBondContact O-CA 3.09Å; V51-E118 PolarHBondContact N-O 3.12Å; V51-E118 PolarHBondContact O-N 3.3Å
52Y94.5Very high89.4Confident0 Ų050.7 Ų50.70%027%0.27CS..EExtended strand (participates in β ladder)trans-111.2136.6173178.6-109.4000110.5K45 I47 H54 V99 I116 I129 E132K45-Y52 HydrophobicContact CD-CD1 4.43Å; K45-Y52 PolarHBondContact N-O 3.22Å; K45-Y52 PolarHBondContact O-N 2.83Å; I47-Y52 HydrophobicContact CD1-CG 4.31Å; Y52-H54 HydrophobicContact CD1-CB 4.28Å; Y52-H54 HydrophobicContact CE1-CB 3.61Å; Y52-H54 AromaticContact CE1-ND1 3.88Å; Y52-H54 AromaticContact CZ-ND1 3.92Å; Y52-H54 PolarHBondContact OH-ND1 3.35Å; Y52-H54 VanDerWaalsContact OH-ND1 3.16Å; Y52-V99 HydrophobicContact CE2-CG2 4.22Å; Y52-I116 WeakPolarHBondContact CA-O 3.3Å; Y52-I116 WeakPolarHBondContact CD2-O 3.3Å; Y52-I129 HydrophobicContact CD2-CB 3.99Å; Y52-I129 HydrophobicContact CD2-CG2 3.99Å; Y52-I129 HydrophobicContact CE2-CB 4.1Å; Y52-I129 HydrophobicContact CG-CB 4.46Å; Y52-I129 HydrophobicContact CG-CG2 4.27Å; Y52-I129 PolarHBondContact OH-O 2.81Å; Y52-E132 WeakPolarHBondContact CE1-OE2 3.49Å
53Y93.9Very high89.3Confident60 Ų6056.6 Ų56.624%0.23529%0.288CS..EExtended strand (participates in β ladder)trans-115.5114.9173.6-67.2-91.5000108.4L3 V42 P44 V51 G115 I116L3-Y53 WeakPolarHBondContact CD1-OH 3.28Å; V42-Y53 HydrophobicContact CG1-CD1 4.08Å; P44-Y53 HydrophobicContact CB-CD1 4.33Å; P44-Y53 HydrophobicContact CB-CE1 3.7Å; P44-Y53 HydrophobicContact CG-CE1 4.46Å; V51-Y53 HydrophobicContact CB-CE2 4.19Å; V51-Y53 HydrophobicContact CG1-CD2 4.15Å; V51-Y53 HydrophobicContact CG1-CE2 3.52Å; Y53-G115 CarbonylContact O-C 3.55Å; Y53-G115 WeakPolarHBondContact O-CA 3.48Å; Y53-I116 PolarHBondContact N-O 2.82Å; Y53-I116 PolarHBondContact O-N 3.12Å
54H94.8Very high89Confident28 Ų2851.2 Ų51.213%0.1327%0.267CS..EExtended strand (participates in β ladder)trans-92.9115.8176-168.863.4000110.4V42 Y52 G56 E132 E136V42-H54 VanDerWaalsContact CG1-O 3.27Å; V42-H54 WeakPolarHBondContact CG1-O 3.35Å; Y52-H54 HydrophobicContact CD1-CB 4.28Å; Y52-H54 HydrophobicContact CE1-CB 3.61Å; Y52-H54 AromaticContact CE1-ND1 3.88Å; Y52-H54 AromaticContact CZ-ND1 3.92Å; Y52-H54 PolarHBondContact OH-ND1 3.35Å; Y52-H54 VanDerWaalsContact OH-ND1 3.16Å; H54-G56 WeakPolarHBondContact NE2-CA 3.5Å; H54-E132 VanDerWaalsContact CB-OE2 3.27Å; H54-E132 WeakPolarHBondContact CB-OE2 3.48Å; H54-E132 IonicContact CD2-OE1 3.28Å; H54-E132 IonicContact CG-OE1 2.84Å; H54-E132 IonicContact CG-OE2 3.82Å; H54-E136 IonicContact CE1-OE2 3.35Å; H54-E136 PolarHBondContact CE1-OE2 3.4Å; H54-E136 IonicContact NE2-OE1 3.78Å; H54-E136 IonicContact NE2-OE2 3.68Å; H54-E136 PolarHBondContact NE2-OE2 3.36Å
55L92.2Very high88.4Confident69 Ų6948.8 Ų48.836%0.36125%0.251SS..  trans-89.5-15.4179.3-53.6-177.3000112.5V42 M113 I114V42-L55 HydrophobicContact CG1-CD2 4.33Å; V42-L55 HydrophobicContact CG2-CD2 3.92Å; L55-M113 HydrophobicContact CD1-CB 3.82Å; L55-M113 HydrophobicContact CD1-CG 3.63Å; L55-M113 HydrophobicContact CD1-SD 3.76Å; L55-I114 WeakPolarHBondContact CA-O 3.42Å; L55-I114 WeakPolarHBondContact CB-O 3.25Å; L55-I114 PolarHBondContact N-O 3.39Å
56G91.5Very high87.7Confident5 Ų548.4 Ų48.45%0.05225%0.251CS..  trans94.2117.7177.100000113.1H54 N60 I114H54-G56 WeakPolarHBondContact NE2-CA 3.5Å; G56-N60 WeakPolarHBondContact O-CB 3.33Å; G56-N60 PolarHBondContact O-N 2.71Å; G56-N60 PolarHBondContact O-ND2 2.83Å; G56-I114 PolarHBondContact N-O 2.69Å
57L93.1Very high87Confident0 Ų049.4 Ų49.40%025%0.25CC..Hα-helixtrans-67.4-50.1170.7174.261.2000110T59 N60 L61 L79 F112 I114 T133 E136 I137 M140L57-T59 PolarHBondContact O-N 2.95Å; L57-N60 PolarHBondContact O-N 3.2Å; L57-L61 HydrophobicContact CD1-CD1 3.67Å; L57-L61 HydrophobicContact CD1-CD2 4.34Å; L57-L61 HydrophobicContact CD1-CG 3.74Å; L57-L61 HydrophobicContact CD2-CD1 4.4Å; L57-L61 HydrophobicContact CG-CD1 3.72Å; L57-L61 HydrophobicContact CG-CG 4.17Å; L57-L61 WeakPolarHBondContact O-CB 3.42Å; L57-L61 VanDerWaalsContact O-CG 3.28Å; L57-L61 WeakPolarHBondContact O-CG 3.45Å; L57-L61 PolarHBondContact O-N 3Å; L57-L79 HydrophobicContact CD1-CD1 4.16Å; L57-L79 HydrophobicContact CD1-CD2 3.98Å; L57-L79 HydrophobicContact CD2-CD2 3.86Å; L57-F112 HydrophobicContact CD1-CE2 3.81Å; L57-F112 HydrophobicContact CD1-CZ 3.95Å; L57-I114 HydrophobicContact CB-CG1 4.35Å; L57-I114 HydrophobicContact CB-CG2 3.87Å; L57-I114 HydrophobicContact CD1-CD1 3.74Å; L57-I114 HydrophobicContact CD1-CG1 3.92Å; L57-T133 HydrophobicContact CD2-CG2 4.29Å; L57-E136 HydrophobicContact CB-CB 4.23Å; L57-E136 WeakPolarHBondContact CB-OE2 3.37Å; L57-E136 HydrophobicContact CD2-CB 4.41Å; L57-E136 VanDerWaalsContact N-CD 3.29Å; L57-E136 PolarHBondContact N-OE1 3.36Å; L57-E136 PolarHBondContact N-OE2 3Å; L57-I137 HydrophobicContact CD2-CD1 4.21Å; L57-I137 HydrophobicContact CD2-CG1 3.42Å; L57-I137 VanDerWaalsContact CD2-CG1 3.42Å; L57-M140 HydrophobicContact CD2-CE 3.45Å; L57-M140 VanDerWaalsContact CD2-CE 3.45Å; L57-M140 HydrophobicContact CG-CE 3.74Å
58K89.2Confident86.2Confident80 Ų8050 Ų5035%0.34825%0.251SS..Hα-helixtrans-61.6-43.7-173.8-176.7178-177.3173.80111.8L61 L62 E136 M140K58-L61 PolarHBondContact O-N 3.45Å; K58-L62 HydrophobicContact CG-CD1 4.39Å; K58-L62 WeakPolarHBondContact O-CG 3.36Å; K58-L62 PolarHBondContact O-N 2.78Å; K58-E136 PolarHBondContact N-OE1 3.47Å; K58-M140 HydrophobicContact CB-SD 4.11Å; K58-M140 HydrophobicContact CG-SD 4.15Å
59T86.5Confident86Confident99 Ų9946 Ų4661%0.60722%0.222SC*.Hα-helixtrans-63.8-44.9178.2-55.40000111.5L57 R63L57-T59 PolarHBondContact O-N 2.95Å; T59-R63 PolarHBondContact O-N 2.86Å
60N86.6Confident85.6Confident19 Ų1948 Ų4810%0.10224%0.235CC..Hα-helixtrans-67-40.5177.3-83-70.1000112G56 L57 R63 C64 F112 M113G56-N60 WeakPolarHBondContact O-CB 3.33Å; G56-N60 PolarHBondContact O-N 2.71Å; G56-N60 PolarHBondContact O-ND2 2.83Å; L57-N60 PolarHBondContact O-N 3.2Å; N60-R63 WeakPolarHBondContact O-CB 3.49Å; N60-R63 PolarHBondContact O-N 2.99Å; N60-R63 PolarHBondContact OD1-NH2 3.25Å; N60-C64 PolarHBondContact O-N 2.86Å; N60-C64 PolarHBondContact O-SG 2.84Å; N60-F112 HydrophobicContact CB-CD2 3.43Å; N60-F112 VanDerWaalsContact CB-CD2 3.43Å; N60-F112 HydrophobicContact CB-CE2 3.74Å; N60-F112 HydrophobicContact CB-CG 4.12Å; N60-M113 PolarHBondContact ND2-O 3.48Å
61L86.2Confident84.9Confident0 Ų051.9 Ų51.90%025%0.252CS..Hα-helixtrans-60.4-49.9176.2-77.8-179.6000111.9L57 K58 R63 C64 V65 I103 F112 M140 I156L57-L61 HydrophobicContact CD1-CD1 3.67Å; L57-L61 HydrophobicContact CD1-CD2 4.34Å; L57-L61 HydrophobicContact CD1-CG 3.74Å; L57-L61 HydrophobicContact CD2-CD1 4.4Å; L57-L61 HydrophobicContact CG-CD1 3.72Å; L57-L61 HydrophobicContact CG-CG 4.17Å; L57-L61 WeakPolarHBondContact O-CB 3.42Å; L57-L61 VanDerWaalsContact O-CG 3.28Å; L57-L61 WeakPolarHBondContact O-CG 3.45Å; L57-L61 PolarHBondContact O-N 3Å; K58-L61 PolarHBondContact O-N 3.45Å; L61-R63 PolarHBondContact O-N 2.96Å; L61-C64 PolarHBondContact O-N 3.32Å; L61-C64 VanDerWaalsContact O-N 3.07Å; L61-V65 WeakPolarHBondContact O-CB 3.33Å; L61-V65 WeakPolarHBondContact O-CG2 3.4Å; L61-V65 PolarHBondContact O-N 3.25Å; L61-I103 HydrophobicContact CD2-CD1 3.26Å; L61-I103 HydrophobicContact CD2-CG1 3.54Å; L61-F112 HydrophobicContact CD2-CE1 4.2Å; L61-F112 HydrophobicContact CD2-CZ 3.68Å; L61-F112 HydrophobicContact CG-CZ 4.17Å; L61-M140 HydrophobicContact CD1-CE 3.61Å; L61-M140 HydrophobicContact CD1-SD 3.67Å; L61-I156 HydrophobicContact CD1-CD1 4.18Å; L61-I156 HydrophobicContact CD1-CG1 4.2Å; L61-I156 HydrophobicContact CD1-CG2 4.36Å
62L83.2Confident84Confident43 Ų4352 Ų5223%0.22525%0.254CS..Hα-helixtrans-55.1-42.2177.1-80.3170.2000111.9K58 V65 E66 P145 L146K58-L62 HydrophobicContact CG-CD1 4.39Å; K58-L62 WeakPolarHBondContact O-CG 3.36Å; K58-L62 PolarHBondContact O-N 2.78Å; L62-V65 PolarHBondContact O-N 3.38Å; L62-E66 WeakPolarHBondContact O-CB 3.43Å; L62-E66 VanDerWaalsContact O-CG 3.32Å; L62-E66 WeakPolarHBondContact O-CG 3.29Å; L62-E66 PolarHBondContact O-N 2.82Å; L62-P145 HydrophobicContact CD2-CB 3.78Å; L62-P145 HydrophobicContact CG-CB 4.05Å; L62-L146 WeakPolarHBondContact CD2-O 3.41Å
63R80.9Confident83.3Confident166 Ų16658 Ų5863%0.62629%0.286SS*.Hα-helixtrans-63.1-42.8176.3-174.2178.163.3156.5-4.7112.6T59 N60 L61T59-R63 PolarHBondContact O-N 2.86Å; N60-R63 WeakPolarHBondContact O-CB 3.49Å; N60-R63 PolarHBondContact O-N 2.99Å; N60-R63 PolarHBondContact OD1-NH2 3.25Å; L61-R63 PolarHBondContact O-N 2.96Å
64C78.4Confident82.6Confident45 Ų4557 Ų5730%0.30429%0.286SS..Hα-helixtrans-68.6-46.6177.3-71.20000111.8N60 L61 E66 R67 W68N60-C64 PolarHBondContact O-N 2.86Å; N60-C64 PolarHBondContact O-SG 2.84Å; L61-C64 PolarHBondContact O-N 3.32Å; L61-C64 VanDerWaalsContact O-N 3.07Å; C64-E66 PolarHBondContact O-N 2.87Å; C64-R67 PolarHBondContact O-N 2.97Å; C64-W68 WeakPolarHBondContact O-CB 3.46Å; C64-W68 PolarHBondContact O-N 3.24Å; C64-W68 VanDerWaalsContact O-N 3.16Å
65V77.3Confident82Confident1 Ų160.5 Ų60.51%0.00631%0.306CS..Hα-helixtrans-52.8-51.5176153.70000111.8L61 L62 R67 W68 L69 L77 I154L61-V65 WeakPolarHBondContact O-CB 3.33Å; L61-V65 WeakPolarHBondContact O-CG2 3.4Å; L61-V65 PolarHBondContact O-N 3.25Å; L62-V65 PolarHBondContact O-N 3.38Å; V65-R67 PolarHBondContact O-N 2.77Å; V65-W68 CarbonylContact O-C 3.53Å; V65-W68 WeakPolarHBondContact O-CA 3.46Å; V65-W68 WeakPolarHBondContact O-CB 3.42Å; V65-W68 PolarHBondContact O-N 3.36Å; V65-L69 HydrophobicContact CG1-CD1 3.83Å; V65-L69 HydrophobicContact CG1-CG 4.2Å; V65-L69 PolarHBondContact O-N 3.28Å; V65-L77 HydrophobicContact CG2-CD1 3.29Å; V65-I154 HydrophobicContact CB-CD1 4.04Å; V65-I154 HydrophobicContact CG1-CD1 3.02Å; V65-I154 HydrophobicContact CG1-CG1 4.48Å; V65-I154 HydrophobicContact CG2-CD1 3.81Å
66E79Confident81.7Confident60 Ų6060.6 Ų60.628%0.2831%0.31SS..Hα-helixtrans-68.1-30.6-172.7-77-176.816400111.8L62 C64 W68 C70 S147 K149 F150L62-E66 WeakPolarHBondContact O-CB 3.43Å; L62-E66 VanDerWaalsContact O-CG 3.32Å; L62-E66 WeakPolarHBondContact O-CG 3.29Å; L62-E66 PolarHBondContact O-N 2.82Å; C64-E66 PolarHBondContact O-N 2.87Å; E66-W68 VanDerWaalsContact C-N 3.27Å; E66-C70 PolarHBondContact O-SG 3.06Å; E66-S147 WeakPolarHBondContact CG-OG 3.46Å; E66-S147 PolarHBondContact OE1-OG 3.27Å; E66-K149 HydrophobicContact CG-CB 4.47Å; E66-F150 HydrophobicContact CB-CE2 4.48Å; E66-F150 WeakPolarHBondContact O-CE2 3.21Å
67R77Confident81.4Confident180 Ų18060.5 Ų60.568%0.67931%0.308SS*.Hα-helixtrans-68-32.8171.7-162.5176.3-160.7170.36.1111.6C64 V65 N71C64-R67 PolarHBondContact O-N 2.97Å; V65-R67 PolarHBondContact O-N 2.77Å; R67-N71 PolarHBondContact O-ND2 3.38Å
68W73.5Confident81.3Confident19 Ų1964.1 Ų64.17%0.07233%0.325CS..Hα-helixtrans-82.8-43.7-176.6-175.865.2000113.4C64 V65 E66 C70 N71 C72 V74 L77 A105 F108C64-W68 WeakPolarHBondContact O-CB 3.46Å; C64-W68 PolarHBondContact O-N 3.24Å; C64-W68 VanDerWaalsContact O-N 3.16Å; V65-W68 CarbonylContact O-C 3.53Å; V65-W68 WeakPolarHBondContact O-CA 3.46Å; V65-W68 WeakPolarHBondContact O-CB 3.42Å; V65-W68 PolarHBondContact O-N 3.36Å; E66-W68 VanDerWaalsContact C-N 3.27Å; W68-C70 PolarHBondContact O-N 3.12Å; W68-C70 VanDerWaalsContact O-N 3.11Å; W68-N71 WeakPolarHBondContact O-CA 3.29Å; W68-N71 PolarHBondContact O-N 3.06Å; W68-C72 VanDerWaalsContact CD2-SG 3.6Å; W68-C72 PolarHBondContact NE1-SG 3.08Å; W68-C72 PolarHBondContact O-N 3.36Å; W68-C72 VanDerWaalsContact O-N 3.1Å; W68-V74 HydrophobicContact CE3-CB 4.29Å; W68-V74 HydrophobicContact CE3-CG2 4.48Å; W68-V74 HydrophobicContact CH2-CB 3.03Å; W68-V74 HydrophobicContact CH2-CG1 3.21Å; W68-V74 HydrophobicContact CH2-CG2 3.09Å; W68-V74 HydrophobicContact CZ2-CB 3.83Å; W68-V74 HydrophobicContact CZ2-CG1 4.16Å; W68-V74 HydrophobicContact CZ2-CG2 3.28Å; W68-V74 HydrophobicContact CZ3-CB 3.27Å; W68-V74 HydrophobicContact CZ3-CG1 3.73Å; W68-V74 HydrophobicContact CZ3-CG2 3.71Å; W68-L77 HydrophobicContact CE3-CD2 3.9Å; W68-L77 HydrophobicContact CH2-CD2 3.2Å; W68-L77 HydrophobicContact CH2-CG 4.24Å; W68-L77 HydrophobicContact CZ2-CD2 4.07Å; W68-L77 HydrophobicContact CZ3-CD1 4.36Å; W68-L77 HydrophobicContact CZ3-CD2 3.15Å; W68-L77 HydrophobicContact CZ3-CG 3.85Å; W68-A105 HydrophobicContact CZ2-CB 3.92Å; W68-F108 AromaticContact CD1-CD2 3.66Å
69L77.3Confident81.4Confident17 Ų1760.3 Ų60.39%0.08931%0.308CS..Hα-helixtrans-59.8-20.3173.9-74.7-178.9000113V65 N71 C72 F150 K152 I154V65-L69 HydrophobicContact CG1-CD1 3.83Å; V65-L69 HydrophobicContact CG1-CG 4.2Å; V65-L69 PolarHBondContact O-N 3.28Å; L69-N71 PolarHBondContact O-N 3.36Å; L69-C72 WeakPolarHBondContact CA-O 3.22Å; L69-F150 HydrophobicContact CB-CD1 4.28Å; L69-F150 HydrophobicContact CB-CD2 3.52Å; L69-F150 HydrophobicContact CB-CE1 4.21Å; L69-F150 HydrophobicContact CB-CE2 3.45Å; L69-F150 VanDerWaalsContact CB-CE2 3.45Å; L69-F150 HydrophobicContact CB-CG 3.95Å; L69-F150 HydrophobicContact CB-CZ 3.81Å; L69-F150 HydrophobicContact CD1-CB 3.94Å; L69-F150 HydrophobicContact CD1-CD2 3.59Å; L69-F150 HydrophobicContact CD1-CE2 4.34Å; L69-F150 HydrophobicContact CD1-CG 3.9Å; L69-F150 HydrophobicContact CG-CD2 4.24Å; L69-K152 HydrophobicContact CD2-CD 4.43Å; L69-I154 HydrophobicContact CD1-CD1 3.62Å; L69-I154 HydrophobicContact CD1-CG1 4.48Å; L69-I154 HydrophobicContact CD2-CD1 4.47Å; L69-I154 HydrophobicContact CG-CD1 4.18Å
70C78.5Confident81.9Confident68 Ų6857.7 Ų57.746%0.45929%0.288SS..THydrogen-bonded Turntrans-63.1-23.5167.7-70.20000113.7E66 W68 K149 F150E66-C70 PolarHBondContact O-SG 3.06Å; W68-C70 PolarHBondContact O-N 3.12Å; W68-C70 VanDerWaalsContact O-N 3.11Å; C70-K149 PolarHBondContact SG-NZ 3.46Å; C70-F150 HydrophobicContact CB-CZ 4.44Å
71N76.3Confident82.3Confident98 Ų9856.9 Ų56.952%0.52428%0.283SS..THydrogen-bonded Turntrans-121.1-17-168-64.9-71.1000114R67 W68 L69 F108R67-N71 PolarHBondContact O-ND2 3.38Å; W68-N71 WeakPolarHBondContact O-CA 3.29Å; W68-N71 PolarHBondContact O-N 3.06Å; L69-N71 PolarHBondContact O-N 3.36Å; N71-F108 HydrophobicContact CB-CE2 4.09Å
72C75.1Confident82.8Confident34 Ų3459 Ų5923%0.2330%0.295CS..  trans-159.3150174.853.90000111.5W68 L69W68-C72 VanDerWaalsContact CD2-SG 3.6Å; W68-C72 PolarHBondContact NE1-SG 3.08Å; W68-C72 PolarHBondContact O-N 3.36Å; W68-C72 VanDerWaalsContact O-N 3.1Å; L69-C72 WeakPolarHBondContact CA-O 3.22Å
73D78.7Confident83.5Confident127 Ų12757 Ų5768%0.67928%0.284SS*.  trans-90.3121.6173.8-171.829.8000110.1K152D73-K152 IonicContact OD1-NZ 3.73Å; D73-K152 PolarHBondContact OD1-NZ 2.83Å
74V78.8Confident84Confident40 Ų4050.6 Ų50.624%0.24226%0.262CS..  trans-147145.1177.1-178.90000111.4W68 T76 K152W68-V74 HydrophobicContact CE3-CB 4.29Å; W68-V74 HydrophobicContact CE3-CG2 4.48Å; W68-V74 HydrophobicContact CH2-CB 3.03Å; W68-V74 HydrophobicContact CH2-CG1 3.21Å; W68-V74 HydrophobicContact CH2-CG2 3.09Å; W68-V74 HydrophobicContact CZ2-CB 3.83Å; W68-V74 HydrophobicContact CZ2-CG1 4.16Å; W68-V74 HydrophobicContact CZ2-CG2 3.28Å; W68-V74 HydrophobicContact CZ3-CB 3.27Å; W68-V74 HydrophobicContact CZ3-CG1 3.73Å; W68-V74 HydrophobicContact CZ3-CG2 3.71Å; V74-T76 WeakPolarHBondContact CG1-O 3.34Å; V74-K152 VanDerWaalsContact C-NZ 3.26Å; V74-K152 WeakPolarHBondContact O-CE 3.28Å; V74-K152 PolarHBondContact O-NZ 2.97Å
75D82.2Confident84.6Confident100 Ų10049.9 Ų49.954%0.53526%0.262SS..SBendtrans-101.1-23.1-176.1-55.4-48.5000113.4K152 A155D75-K152 WeakPolarHBondContact OD1-CE 3.1Å; D75-K152 IonicContact OD1-NZ 3.82Å; D75-K152 PolarHBondContact OD1-NZ 3.33Å; D75-A155 WeakPolarHBondContact O-CB 3.47Å; D75-A155 PolarHBondContact O-N 2.86Å
76T86.3Confident85Confident72 Ų7254.3 Ų54.344%0.44229%0.286SS..EExtended strand (participates in β ladder)trans-134.9132.3-176.3-55.10000111.6V74 A155 K157V74-T76 WeakPolarHBondContact CG1-O 3.34Å; T76-A155 CarbonylContact C-O 3.55Å; T76-A155 VanDerWaalsContact CA-O 3.29Å; T76-A155 WeakPolarHBondContact CA-O 3.37Å; T76-A155 HydrophobicContact CG2-CB 4.22Å; T76-K157 HydrophobicContact CG2-CB 4.29Å
77L86Confident84.5Confident3 Ų357 Ų572%0.01631%0.311CS..EExtended strand (participates in β ladder)trans-110129.6172.9-73.9179.3000110.9V65 W68 I103 I154 A155 I156 K157V65-L77 HydrophobicContact CG2-CD1 3.29Å; W68-L77 HydrophobicContact CE3-CD2 3.9Å; W68-L77 HydrophobicContact CH2-CD2 3.2Å; W68-L77 HydrophobicContact CH2-CG 4.24Å; W68-L77 HydrophobicContact CZ2-CD2 4.07Å; W68-L77 HydrophobicContact CZ3-CD1 4.36Å; W68-L77 HydrophobicContact CZ3-CD2 3.15Å; W68-L77 HydrophobicContact CZ3-CG 3.85Å; L77-I103 HydrophobicContact CB-CD1 4.21Å; L77-I103 HydrophobicContact CD1-CD1 4.35Å; L77-I103 HydrophobicContact CD1-CG2 4.43Å; L77-I103 HydrophobicContact CD2-CG2 3.63Å; L77-I103 HydrophobicContact CG-CG2 4.47Å; L77-I154 HydrophobicContact CB-CG2 4.46Å; L77-I154 HydrophobicContact CD1-CG2 3.96Å; L77-I154 HydrophobicContact CG-CG2 3.85Å; L77-A155 PolarHBondContact N-O 3.45Å; L77-I156 HydrophobicContact CB-CD1 3.73Å; L77-I156 HydrophobicContact CD1-CD1 3.95Å; L77-I156 HydrophobicContact CG-CD1 4.34Å; L77-K157 PolarHBondContact O-N 2.97Å
78E89.7Confident83.8Confident76 Ų7650.9 Ų50.936%0.35529%0.293SS..EExtended strand (participates in β ladder)trans-84.9124.2170.2-70-177170.700109.3I103 V104E78-I103 WeakPolarHBondContact O-CA 3.21Å; E78-V104 HydrophobicContact CB-CB 3.92Å; E78-V104 HydrophobicContact CB-CG2 4.31Å; E78-V104 PolarHBondContact O-N 2.79Å
79L92.8Very high83Confident0 Ų052 Ų520%030%0.304CS..EExtended strand (participates in β ladder)trans-108.6127.7179.8173.166.5000109.4L57 I81 I103 F112 I137 I156 K157 L158 T159L57-L79 HydrophobicContact CD1-CD1 4.16Å; L57-L79 HydrophobicContact CD1-CD2 3.98Å; L57-L79 HydrophobicContact CD2-CD2 3.86Å; L79-I81 HydrophobicContact CD2-CD1 4.21Å; L79-I81 HydrophobicContact CD2-CG1 4.22Å; L79-I81 HydrophobicContact CG-CG1 4.19Å; L79-I103 HydrophobicContact CB-CD1 4.27Å; L79-I103 HydrophobicContact CD1-CD1 4.07Å; L79-F112 HydrophobicContact CD1-CZ 4.29Å; L79-I137 HydrophobicContact CD2-CG1 4.38Å; L79-I156 HydrophobicContact CB-CG2 3.96Å; L79-I156 HydrophobicContact CD2-CG2 4.12Å; L79-K157 PolarHBondContact N-O 2.83Å; L79-L158 HydrophobicContact CD2-CD1 4.39Å; L79-L158 HydrophobicContact CG-CD1 4.33Å; L79-T159 PolarHBondContact O-N 3.19Å
80Y95.5Very high81.8Confident44 Ų4463.9 Ų63.917%0.17335%0.348CS..EExtended strand (participates in β ladder)trans-102.2141.4161.4-62.9-13.4000109.7G101 W102 V104 T159 E160 I162Y80-G101 CarbonylContact O-C 3.36Å; Y80-G101 WeakPolarHBondContact O-CA 3.25Å; Y80-W102 HydrophobicContact CD2-CE3 4.44Å; Y80-W102 PolarHBondContact N-O 2.88Å; Y80-W102 PolarHBondContact O-N 3.03Å; Y80-V104 HydrophobicContact CD1-CG2 3.77Å; Y80-V104 HydrophobicContact CD2-CG2 3.55Å; Y80-V104 HydrophobicContact CE1-CG2 3.6Å; Y80-V104 HydrophobicContact CE2-CG2 3.36Å; Y80-V104 HydrophobicContact CG-CG2 3.76Å; Y80-T159 HydrophobicContact CE1-CG2 3.78Å; Y80-E160 CarbonylContact C-O 3.59Å; Y80-E160 WeakPolarHBondContact CA-O 3.32Å; Y80-E160 HydrophobicContact CD1-CB 3.6Å; Y80-E160 HydrophobicContact CD1-CG 3.9Å; Y80-E160 HydrophobicContact CE1-CB 3.85Å; Y80-E160 HydrophobicContact CE1-CG 3.58Å; Y80-E160 HydrophobicContact CG-CB 4.11Å; Y80-I162 HydrophobicContact CD2-CD1 4.07Å; Y80-I162 HydrophobicContact CG-CD1 4.36Å
81I96.8Very high80.8Confident1 Ų165.4 Ų65.41%0.00536%0.36CS..EExtended strand (participates in β ladder)trans-115138.5170.7-69.7177.5000108.1L79 I83 V99 L100 I114 T133 I137 L158 E160 V161 I162L79-I81 HydrophobicContact CD2-CD1 4.21Å; L79-I81 HydrophobicContact CD2-CG1 4.22Å; L79-I81 HydrophobicContact CG-CG1 4.19Å; I81-I83 HydrophobicContact CG2-CD1 4.22Å; I81-I83 HydrophobicContact CG2-CG1 3.9Å; I81-V99 HydrophobicContact CG2-CG1 4.17Å; I81-L100 CarbonylContact C-O 3.55Å; I81-L100 VanDerWaalsContact CA-O 3.27Å; I81-L100 WeakPolarHBondContact CA-O 3.35Å; I81-I114 HydrophobicContact CG1-CD1 4.22Å; I81-T133 HydrophobicContact CD1-CG2 3.8Å; I81-I137 HydrophobicContact CD1-CD1 3.33Å; I81-I137 HydrophobicContact CD1-CG1 4.43Å; I81-L158 HydrophobicContact CB-CD1 4.32Å; I81-L158 HydrophobicContact CD1-CD1 3.76Å; I81-L158 HydrophobicContact CG1-CD1 3.87Å; I81-E160 PolarHBondContact N-O 3.35Å; I81-V161 HydrophobicContact CG2-CG1 4.47Å; I81-V161 CarbonylContact O-C 3.48Å; I81-V161 WeakPolarHBondContact O-CA 3.38Å; I81-I162 PolarHBondContact O-N 2.98Å
82N96.4Very high80.1Confident46 Ų4661.7 Ų61.725%0.24634%0.341CS..EExtended strand (participates in β ladder)trans-118.8133.5168.1169-104.9000110.1V99 L100 I162N82-V99 WeakPolarHBondContact O-CA 3.27Å; N82-L100 HydrophobicContact CB-CB 4.26Å; N82-L100 PolarHBondContact N-O 3.18Å; N82-L100 PolarHBondContact O-N 2.86Å; N82-I162 VanDerWaalsContact CA-O 3.29Å; N82-I162 WeakPolarHBondContact CA-O 3.49Å; N82-I162 PolarHBondContact ND2-O 3.18Å
83I96.4Very high79.7Confident1 Ų163.6 Ų63.61%0.00536%0.355CS..EExtended strand (participates in β ladder)trans-131.7107.9174.7-55.2173.8000106.7I81 W97 V99 F126 I129 I162 C163 V171 F227I81-I83 HydrophobicContact CG2-CD1 4.22Å; I81-I83 HydrophobicContact CG2-CG1 3.9Å; I83-W97 HydrophobicContact CG2-CE3 4.35Å; I83-V99 HydrophobicContact CG1-CG1 4.18Å; I83-V99 HydrophobicContact CG1-CG2 4.35Å; I83-F126 HydrophobicContact CG2-CD1 4.38Å; I83-F126 HydrophobicContact CG2-CE1 4.22Å; I83-I129 HydrophobicContact CG2-CD1 4.31Å; I83-I162 PolarHBondContact N-O 3.08Å; I83-C163 PolarHBondContact O-SG 2.96Å; I83-V171 HydrophobicContact CB-CG2 4.13Å; I83-V171 HydrophobicContact CD1-CG1 4.26Å; I83-V171 HydrophobicContact CD1-CG2 4.1Å; I83-V171 HydrophobicContact CG2-CG2 3.9Å; I83-F227 HydrophobicContact CD1-CE2 4.14Å; I83-F227 HydrophobicContact CD1-CZ 3.99Å
84D92.2Very high79.7Confident30 Ų3059.6 Ų59.616%0.1633%0.332CS..  trans-147.5159.8-177.4-150.7-20.2000110.9W97 P98 H244D84-W97 VanDerWaalsContact C-CE3 3.44Å; D84-P98 VanDerWaalsContact O-CD 3.28Å; D84-P98 WeakPolarHBondContact O-CD 3.4Å; D84-H244 IonicContact OD2-CE1 2.66Å
85G90.8Very high80Confident30 Ų3061.4 Ų61.431%0.30934%0.338SS..  trans-84.5130.9176.600000111.8
86L85Confident80.5Confident95 Ų9558.6 Ų58.650%0.49732%0.322SS..EExtended strand (participates in β ladder)trans-102.4123.8168.3-65.4178.3000109.9T88 L96 P98L86-T88 PolarHBondContact O-N 2.9Å; L86-L96 HydrophobicContact CB-CB 4.14Å; L86-L96 PolarHBondContact N-O 3.28Å; L86-L96 PolarHBondContact O-N 3.05Å; L86-P98 HydrophobicContact CD1-CG 3.64Å; L86-P98 HydrophobicContact CG-CG 3.88Å
87S69.5Low80.9Confident116 Ų11656 Ų5681%0.81131%0.305SS*.EExtended strand (participates in β ladder)trans-75.3112.9168.762.20000109.5
88T62.1Low81.3Confident51 Ų5156 Ų5631%0.31331%0.305SS..  trans-83.8-17.8-173.653.80000115.6L86 S92 Q94 L96L86-T88 PolarHBondContact O-N 2.9Å; T88-S92 PolarHBondContact OG1-OG 2.86Å; T88-Q94 PolarHBondContact OG1-O 2.84Å; T88-L96 HydrophobicContact CG2-CB 3.75Å; T88-L96 HydrophobicContact CG2-CD1 3.19Å; T88-L96 HydrophobicContact CG2-CG 3.27Å
89S56.8Low81.7Confident42 Ų4252.5 Ų52.529%0.29429%0.288SS..  trans-169.2166.7161.573.50000109S91 S92S89-S91 PolarHBondContact O-N 2.85Å; S89-S91 PolarHBondContact OG-N 2.63Å; S89-S92 PolarHBondContact N-OG 2.76Å; S89-S92 VanDerWaalsContact OG-CB 3.31Å; S89-S92 WeakPolarHBondContact OG-CB 3.29Å; S89-S92 PolarHBondContact OG-N 2.89Å; S89-S92 PolarHBondContact OG-OG 2.81Å
90R52.9Low81.8Confident267 Ų26754.3 Ų54.3100%1.00830%0.298SS*.SBendtrans-67.6-12.1174.3-77.5-176.7171-175.3-2.9113.7
91S56.6Low81.8Confident101 Ų10152.3 Ų52.371%0.70629%0.29SS*.SBendtrans-124-8.1-171.255.90000115S89S89-S91 PolarHBondContact O-N 2.85Å; S89-S91 PolarHBondContact OG-N 2.63Å
92S61.6Low81.6Confident19 Ų1957.2 Ų57.213%0.13331%0.309CS..  trans-93.3135.3174.457.70000110.5T7 T88 S89 Q94T7-S92 WeakPolarHBondContact OG1-CB 3.46Å; T88-S92 PolarHBondContact OG1-OG 2.86Å; S89-S92 PolarHBondContact N-OG 2.76Å; S89-S92 VanDerWaalsContact OG-CB 3.31Å; S89-S92 WeakPolarHBondContact OG-CB 3.29Å; S89-S92 PolarHBondContact OG-N 2.89Å; S89-S92 PolarHBondContact OG-OG 2.81Å; S92-Q94 PolarHBondContact O-N 3.34Å; S92-Q94 VanDerWaalsContact O-N 3.1Å
93S67.7Low81.1Confident75 Ų7555.6 Ų55.652%0.52430%0.3SS..  trans-72.412167.456.90000112.6H95 N120S93-H95 PolarHBondContact O-CD2 3.1Å; S93-N120 CarbonylContact O-C 3.32Å; S93-N120 VanDerWaalsContact O-CA 3.3Å; S93-N120 WeakPolarHBondContact O-CA 3.45Å
94Q77.1Confident80.5Confident42 Ų4257.8 Ų57.820%0.19631%0.314CS..PPolyproline II helixtrans-88.7124.9-173.4-71.5-170.3-45.400110.2T88 S92 E118 G119T88-Q94 PolarHBondContact OG1-O 2.84Å; S92-Q94 PolarHBondContact O-N 3.34Å; S92-Q94 VanDerWaalsContact O-N 3.1Å; Q94-E118 PolarHBondContact NE2-OE1 3.24Å; Q94-G119 WeakPolarHBondContact CA-O 3.4Å
95H86.4Confident79.5Confident79 Ų7957.2 Ų57.237%0.36631%0.313SS..EExtended strand (participates in β ladder)trans-102.9121.4174.7-67.6-96.6000108.9S93 E118 G119 N120 T121S93-H95 PolarHBondContact O-CD2 3.1Å; H95-E118 WeakPolarHBondContact O-CA 3.39Å; H95-G119 PolarHBondContact N-O 2.75Å; H95-G119 PolarHBondContact O-N 2.77Å; H95-G119 VanDerWaalsContact O-N 3.08Å; H95-N120 PolarHBondContact CD2-O 2.99Å; H95-T121 VanDerWaalsContact CD2-CA 3.46Å; H95-T121 WeakPolarHBondContact CD2-CA 3.09Å
96L91.9Very high78.1Confident40 Ų4061.8 Ų61.821%0.20934%0.34CS..EExtended strand (participates in β ladder)trans-99.8137.3166.6-74.9-177.9000109.7L86 T88 I116 Y117 E118L86-L96 HydrophobicContact CB-CB 4.14Å; L86-L96 PolarHBondContact N-O 3.28Å; L86-L96 PolarHBondContact O-N 3.05Å; T88-L96 HydrophobicContact CG2-CB 3.75Å; T88-L96 HydrophobicContact CG2-CD1 3.19Å; T88-L96 HydrophobicContact CG2-CG 3.27Å; L96-I116 HydrophobicContact CD1-CD1 4.19Å; L96-I116 HydrophobicContact CD2-CD1 4.06Å; L96-I116 HydrophobicContact CD2-CG1 4.18Å; L96-Y117 CarbonylContact C-O 3.59Å; L96-Y117 VanDerWaalsContact CA-O 3.29Å; L96-Y117 WeakPolarHBondContact CA-O 3.43Å; L96-Y117 WeakPolarHBondContact CD2-O 3.45Å; L96-E118 HydrophobicContact CD2-CB 3.58Å; L96-E118 HydrophobicContact CD2-CG 3.74Å
97W94.4Very high77Confident18 Ų1866 Ų667%0.06835%0.349CS..EExtended strand (participates in β ladder)trans-130.889.6176.4-74.873.5000108.6I83 D84 Y117 K122 P123 F126 A167I83-W97 HydrophobicContact CG2-CE3 4.35Å; D84-W97 VanDerWaalsContact C-CE3 3.44Å; W97-Y117 HydrophobicContact CB-CD1 4.02Å; W97-Y117 AromaticContact CD1-CD1 3.94Å; W97-Y117 HydrophobicContact CG-CD1 4.25Å; W97-Y117 PolarHBondContact N-O 2.94Å; W97-Y117 PolarHBondContact O-N 3.35Å; W97-K122 HydrophobicContact CZ2-CB 3.68Å; W97-K122 HydrophobicContact CZ2-CD 4.49Å; W97-P123 HydrophobicContact CB-CG 4.2Å; W97-P123 VanDerWaalsContact CD1-CD 3.48Å; W97-P123 HydrophobicContact CD2-CG 4.3Å; W97-P123 HydrophobicContact CG-CG 3.98Å; W97-F126 HydrophobicContact CD2-CE1 4.33Å; W97-F126 HydrophobicContact CD2-CZ 4.17Å; W97-F126 AromaticContact CE3-CE1 3.56Å; W97-F126 HydrophobicContact CE3-CE1 3.56Å; W97-F126 AromaticContact CE3-CZ 3.73Å; W97-F126 HydrophobicContact CE3-CZ 3.73Å; W97-F126 HydrophobicContact CH2-CE1 4.13Å; W97-F126 AromaticContact CH2-CZ 3.64Å; W97-F126 HydrophobicContact CH2-CZ 3.64Å; W97-F126 HydrophobicContact CZ2-CZ 4.09Å; W97-F126 AromaticContact CZ3-CE1 3.44Å; W97-F126 HydrophobicContact CZ3-CE1 3.44Å; W97-F126 VanDerWaalsContact CZ3-CE1 3.44Å; W97-F126 AromaticContact CZ3-CZ 3.45Å; W97-F126 HydrophobicContact CZ3-CZ 3.45Å; W97-F126 VanDerWaalsContact CZ3-CZ 3.45Å; W97-A167 HydrophobicContact CH2-CB 3.99Å; W97-A167 HydrophobicContact CZ3-CB 3.66Å
98P95.2Very high76.6Confident4 Ų464.9 Ų64.93%0.02633%0.33CS..EExtended strand (participates in β ladder)trans-68.1143.317231.3-39.7000111.3D84 L86 L100D84-P98 VanDerWaalsContact O-CD 3.28Å; D84-P98 WeakPolarHBondContact O-CD 3.4Å; L86-P98 HydrophobicContact CD1-CG 3.64Å; L86-P98 HydrophobicContact CG-CG 3.88Å; P98-L100 HydrophobicContact CB-CD2 3.81Å; P98-L100 HydrophobicContact CB-CG 3.95Å; P98-L100 HydrophobicContact CG-CG 4.39Å
99V97Very high76.9Confident1 Ų166.3 Ų66.31%0.00634%0.342CS..EExtended strand (participates in β ladder)trans-103.3111.7159.6-175.50000105.7Y52 I81 N82 I83 I114 G115 T133Y52-V99 HydrophobicContact CE2-CG2 4.22Å; I81-V99 HydrophobicContact CG2-CG1 4.17Å; N82-V99 WeakPolarHBondContact O-CA 3.27Å; I83-V99 HydrophobicContact CG1-CG1 4.18Å; I83-V99 HydrophobicContact CG1-CG2 4.35Å; V99-I114 HydrophobicContact CB-CB 4.33Å; V99-I114 HydrophobicContact CG1-CB 4.05Å; V99-I114 HydrophobicContact CG1-CD1 4.09Å; V99-I114 HydrophobicContact CG1-CG2 4.33Å; V99-I114 WeakPolarHBondContact O-CA 3.34Å; V99-I114 WeakPolarHBondContact O-CB 3.43Å; V99-I114 PolarHBondContact O-N 3.45Å; V99-G115 PolarHBondContact N-O 2.95Å; V99-G115 PolarHBondContact O-N 2.91Å; V99-G115 VanDerWaalsContact O-N 3.16Å; V99-T133 HydrophobicContact CG1-CG2 4.28Å
100L96Very high77.9Confident39 Ų3966 Ų6620%0.20435%0.346CS..EExtended strand (participates in β ladder)trans-108.1144.2-176.7-56.8178.7000110I81 N82 P98 V111 F112 M113I81-L100 CarbonylContact C-O 3.55Å; I81-L100 VanDerWaalsContact CA-O 3.27Å; I81-L100 WeakPolarHBondContact CA-O 3.35Å; N82-L100 HydrophobicContact CB-CB 4.26Å; N82-L100 PolarHBondContact N-O 3.18Å; N82-L100 PolarHBondContact O-N 2.86Å; P98-L100 HydrophobicContact CB-CD2 3.81Å; P98-L100 HydrophobicContact CB-CG 3.95Å; P98-L100 HydrophobicContact CG-CG 4.39Å; L100-V111 HydrophobicContact CB-CG1 4.03Å; L100-V111 HydrophobicContact CD1-CG1 4.07Å; L100-V111 HydrophobicContact CD2-CG1 4.45Å; L100-V111 HydrophobicContact CG-CG1 4.42Å; L100-F112 CarbonylContact C-O 3.51Å; L100-F112 WeakPolarHBondContact CA-O 3.34Å; L100-M113 HydrophobicContact CD2-CB 4.18Å; L100-M113 HydrophobicContact CD2-CE 4.45Å; L100-M113 HydrophobicContact CD2-CG 4.28Å
101G94.7Very high79.5Confident1 Ų157.8 Ų57.81%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-112.5145.9170.900000110.4Y80 V111 F112Y80-G101 CarbonylContact O-C 3.36Å; Y80-G101 WeakPolarHBondContact O-CA 3.25Å; G101-V111 CarbonylContact O-C 3.58Å; G101-V111 WeakPolarHBondContact O-CA 3.33Å; G101-F112 PolarHBondContact N-O 3.37Å; G101-F112 WeakPolarHBondContact O-CD1 3.27Å; G101-F112 WeakPolarHBondContact O-CE1 3.08Å; G101-F112 PolarHBondContact O-N 3.45Å
102W92.4Very high81.1Confident105 Ų10553.7 Ų53.740%0.39829%0.294SS..EExtended strand (participates in β ladder)trans-137.5122170.8178.25.6000108.9Y80 S109 V111Y80-W102 HydrophobicContact CD2-CE3 4.44Å; Y80-W102 PolarHBondContact N-O 2.88Å; Y80-W102 PolarHBondContact O-N 3.03Å; W102-S109 VanDerWaalsContact NE1-CB 3.3Å; W102-V111 HydrophobicContact CB-CG2 4.35Å; W102-V111 HydrophobicContact CD2-CG2 4.41Å; W102-V111 HydrophobicContact CE3-CG2 4.46Å; W102-V111 HydrophobicContact CG-CG2 4.35Å
103I86.8Confident82.5Confident11 Ų1156.1 Ų56.16%0.05630%0.304CS..EExtended strand (participates in β ladder)trans-80.7120.7167-68.1-52.1000111.4L61 L77 E78 L79 A105 F112L61-I103 HydrophobicContact CD2-CD1 3.26Å; L61-I103 HydrophobicContact CD2-CG1 3.54Å; L77-I103 HydrophobicContact CB-CD1 4.21Å; L77-I103 HydrophobicContact CD1-CD1 4.35Å; L77-I103 HydrophobicContact CD1-CG2 4.43Å; L77-I103 HydrophobicContact CD2-CG2 3.63Å; L77-I103 HydrophobicContact CG-CG2 4.47Å; E78-I103 WeakPolarHBondContact O-CA 3.21Å; L79-I103 HydrophobicContact CB-CD1 4.27Å; L79-I103 HydrophobicContact CD1-CD1 4.07Å; I103-A105 HydrophobicContact CG2-CB 4.17Å; I103-A105 PolarHBondContact O-N 3.19Å; I103-F112 HydrophobicContact CG1-CE1 4.18Å
104V82.7Confident83.8Confident48 Ų4852.5 Ų52.529%0.29128%0.279SS..EExtended strand (participates in β ladder)trans-81.8101.4174.4-1720000108E78 Y80E78-V104 HydrophobicContact CB-CB 3.92Å; E78-V104 HydrophobicContact CB-CG2 4.31Å; E78-V104 PolarHBondContact O-N 2.79Å; Y80-V104 HydrophobicContact CD1-CG2 3.77Å; Y80-V104 HydrophobicContact CD2-CG2 3.55Å; Y80-V104 HydrophobicContact CE1-CG2 3.6Å; Y80-V104 HydrophobicContact CE2-CG2 3.36Å; Y80-V104 HydrophobicContact CG-CG2 3.76Å
105A72Confident84.7Confident17 Ų1750.5 Ų50.514%0.1427%0.27CS..  trans-141.8136.9173.700000109.4W68 I103 R107 F108W68-A105 HydrophobicContact CZ2-CB 3.92Å; I103-A105 HydrophobicContact CG2-CB 4.17Å; I103-A105 PolarHBondContact O-N 3.19Å; A105-R107 PolarHBondContact O-N 3.2Å; A105-F108 PolarHBondContact O-N 2.86Å
106S61.3Low85.1Confident127 Ų12748.5 Ų48.589%0.88826%0.261SS*.THydrogen-bonded Turntrans-58.5-20.1-173.555.40000115.1
107R61.5Low85.2Confident182 Ų18246.6 Ų46.669%0.68725%0.251SS*.THydrogen-bonded Turntrans-120.5-14.6-175.3-66.7-170.9177.7148.31.3115.1A105A105-R107 PolarHBondContact O-N 3.2Å
108F62.1Low85.1Confident94 Ų9448 Ų4841%0.41226%0.259SS..  trans-148.568.8-173.6-73.1-84.2000110W68 N71 A105W68-F108 AromaticContact CD1-CD2 3.66Å; N71-F108 HydrophobicContact CB-CE2 4.09Å; A105-F108 PolarHBondContact O-N 2.86Å
109S68.1Low84.9Confident81 Ų8148.1 Ų48.157%0.56626%0.261SS*.  trans-81.2123.4168.153.40000109.6W102W102-S109 VanDerWaalsContact NE1-CB 3.3Å
110G77.2Confident84.5Confident35 Ų3553.2 Ų53.236%0.36129%0.288SS..EExtended strand (participates in β ladder)trans-146.8132.3174.900000111
111V87.7Confident84.1Confident94 Ų9455 Ų5557%0.5730%0.301SS*.EExtended strand (participates in β ladder)trans-81.9135170-1790000108.5L100 G101 W102L100-V111 HydrophobicContact CB-CG1 4.03Å; L100-V111 HydrophobicContact CD1-CG1 4.07Å; L100-V111 HydrophobicContact CD2-CG1 4.45Å; L100-V111 HydrophobicContact CG-CG1 4.42Å; G101-V111 CarbonylContact O-C 3.58Å; G101-V111 WeakPolarHBondContact O-CA 3.33Å; W102-V111 HydrophobicContact CB-CG2 4.35Å; W102-V111 HydrophobicContact CD2-CG2 4.41Å; W102-V111 HydrophobicContact CE3-CG2 4.46Å; W102-V111 HydrophobicContact CG-CG2 4.35Å
112F89.4Confident83.9Confident15 Ų1559 Ų597%0.06632%0.318CS..EExtended strand (participates in β ladder)trans-134.1155173.957.5-89.6000110.1L57 N60 L61 L79 L100 G101 I103 I114L57-F112 HydrophobicContact CD1-CE2 3.81Å; L57-F112 HydrophobicContact CD1-CZ 3.95Å; N60-F112 HydrophobicContact CB-CD2 3.43Å; N60-F112 VanDerWaalsContact CB-CD2 3.43Å; N60-F112 HydrophobicContact CB-CE2 3.74Å; N60-F112 HydrophobicContact CB-CG 4.12Å; L61-F112 HydrophobicContact CD2-CE1 4.2Å; L61-F112 HydrophobicContact CD2-CZ 3.68Å; L61-F112 HydrophobicContact CG-CZ 4.17Å; L79-F112 HydrophobicContact CD1-CZ 4.29Å; L100-F112 CarbonylContact C-O 3.51Å; L100-F112 WeakPolarHBondContact CA-O 3.34Å; G101-F112 PolarHBondContact N-O 3.37Å; G101-F112 WeakPolarHBondContact O-CD1 3.27Å; G101-F112 WeakPolarHBondContact O-CE1 3.08Å; G101-F112 PolarHBondContact O-N 3.45Å; I103-F112 HydrophobicContact CG1-CE1 4.18Å; F112-I114 HydrophobicContact CD2-CG1 4.13Å; F112-I114 HydrophobicContact CE2-CD1 4.39Å; F112-I114 HydrophobicContact CE2-CG1 3.73Å
113M91.7Very high84Confident70 Ų7054.1 Ų54.135%0.34530%0.3SS..EExtended strand (participates in β ladder)trans-87.1123.7178.3-171.2175.4-72.500109.7L55 N60 L100 G115 I116L55-M113 HydrophobicContact CD1-CB 3.82Å; L55-M113 HydrophobicContact CD1-CG 3.63Å; L55-M113 HydrophobicContact CD1-SD 3.76Å; N60-M113 PolarHBondContact ND2-O 3.48Å; L100-M113 HydrophobicContact CD2-CB 4.18Å; L100-M113 HydrophobicContact CD2-CE 4.45Å; L100-M113 HydrophobicContact CD2-CG 4.28Å; M113-G115 WeakPolarHBondContact CG-O 3.45Å; M113-I116 HydrophobicContact CE-CD1 4.08Å; M113-I116 HydrophobicContact SD-CB 3.89Å; M113-I116 HydrophobicContact SD-CD1 4.24Å; M113-I116 HydrophobicContact SD-CG2 4.12Å
114I95.4Very high84.2Confident0 Ų056.2 Ų56.20%032%0.319CS..EExtended strand (participates in β ladder)trans-87.2-38.9173.2-61163.8000109.6L55 G56 L57 I81 V99 F112 T133L55-I114 WeakPolarHBondContact CA-O 3.42Å; L55-I114 WeakPolarHBondContact CB-O 3.25Å; L55-I114 PolarHBondContact N-O 3.39Å; G56-I114 PolarHBondContact N-O 2.69Å; L57-I114 HydrophobicContact CB-CG1 4.35Å; L57-I114 HydrophobicContact CB-CG2 3.87Å; L57-I114 HydrophobicContact CD1-CD1 3.74Å; L57-I114 HydrophobicContact CD1-CG1 3.92Å; I81-I114 HydrophobicContact CG1-CD1 4.22Å; V99-I114 HydrophobicContact CB-CB 4.33Å; V99-I114 HydrophobicContact CG1-CB 4.05Å; V99-I114 HydrophobicContact CG1-CD1 4.09Å; V99-I114 HydrophobicContact CG1-CG2 4.33Å; V99-I114 WeakPolarHBondContact O-CA 3.34Å; V99-I114 WeakPolarHBondContact O-CB 3.43Å; V99-I114 PolarHBondContact O-N 3.45Å; F112-I114 HydrophobicContact CD2-CG1 4.13Å; F112-I114 HydrophobicContact CE2-CD1 4.39Å; F112-I114 HydrophobicContact CE2-CG1 3.73Å; I114-T133 HydrophobicContact CD1-CG2 4.19Å; I114-T133 HydrophobicContact CG2-CG2 3.97Å; I114-T133 VanDerWaalsContact CG2-OG1 3.26Å; I114-T133 WeakPolarHBondContact CG2-OG1 3.39Å
115G95.1Very high84.7Confident0 Ų057.7 Ų57.70%032%0.323CS..EExtended strand (participates in β ladder)trans-168.5173.7174.800000111.8Y53 V99 M113Y53-G115 CarbonylContact O-C 3.55Å; Y53-G115 WeakPolarHBondContact O-CA 3.48Å; V99-G115 PolarHBondContact N-O 2.95Å; V99-G115 PolarHBondContact O-N 2.91Å; V99-G115 VanDerWaalsContact O-N 3.16Å; M113-G115 WeakPolarHBondContact CG-O 3.45Å
116I94.6Very high85.8Confident36 Ų3657.1 Ų57.119%0.18532%0.317CS..EExtended strand (participates in β ladder)trans-147.6129.8179-169.4165.3000110.6Y52 Y53 L96 M113Y52-I116 WeakPolarHBondContact CA-O 3.3Å; Y52-I116 WeakPolarHBondContact CD2-O 3.3Å; Y53-I116 PolarHBondContact N-O 2.82Å; Y53-I116 PolarHBondContact O-N 3.12Å; L96-I116 HydrophobicContact CD1-CD1 4.19Å; L96-I116 HydrophobicContact CD2-CD1 4.06Å; L96-I116 HydrophobicContact CD2-CG1 4.18Å; M113-I116 HydrophobicContact CE-CD1 4.08Å; M113-I116 HydrophobicContact SD-CB 3.89Å; M113-I116 HydrophobicContact SD-CD1 4.24Å; M113-I116 HydrophobicContact SD-CG2 4.12Å
117Y94.8Very high87.5Confident0 Ų052.9 Ų52.90%029%0.285CS..EExtended strand (participates in β ladder)trans-98.3142.1169.4164.7-83.8000110.4I47 S49 V51 L96 W97 T121 P123 I129I47-Y117 HydrophobicContact CD1-CD2 4.46Å; S49-Y117 VanDerWaalsContact CB-OH 3.28Å; S49-Y117 WeakPolarHBondContact CB-OH 3.42Å; S49-Y117 PolarHBondContact O-OH 3Å; S49-Y117 PolarHBondContact OG-OH 2.88Å; V51-Y117 CarbonylContact O-C 3.57Å; V51-Y117 WeakPolarHBondContact O-CA 3.09Å; L96-Y117 CarbonylContact C-O 3.59Å; L96-Y117 VanDerWaalsContact CA-O 3.29Å; L96-Y117 WeakPolarHBondContact CA-O 3.43Å; L96-Y117 WeakPolarHBondContact CD2-O 3.45Å; W97-Y117 HydrophobicContact CB-CD1 4.02Å; W97-Y117 AromaticContact CD1-CD1 3.94Å; W97-Y117 HydrophobicContact CG-CD1 4.25Å; W97-Y117 PolarHBondContact N-O 2.94Å; W97-Y117 PolarHBondContact O-N 3.35Å; Y117-T121 VanDerWaalsContact CE1-O 3.31Å; Y117-T121 WeakPolarHBondContact CE1-O 3.48Å; Y117-T121 PolarHBondContact OH-O 3.3Å; Y117-P123 HydrophobicContact CD1-CG 3.64Å; Y117-P123 HydrophobicContact CD2-CG 4.24Å; Y117-P123 HydrophobicContact CE1-CB 4.5Å; Y117-P123 HydrophobicContact CE1-CG 3.79Å; Y117-P123 HydrophobicContact CE2-CB 4.41Å; Y117-P123 HydrophobicContact CE2-CG 4.36Å; Y117-P123 HydrophobicContact CG-CG 3.86Å; Y117-I129 HydrophobicContact CD2-CG2 3.96Å; Y117-I129 HydrophobicContact CG-CG2 4.22Å
118E91.7Very high89.1Confident47 Ų4747.3 Ų47.322%0.2227%0.266CS..EExtended strand (participates in β ladder)trans-128.9131.3170.2-174.3-173.9177.900109.6G50 V51 Q94 H95 L96G50-E118 CarbonylContact C-O 3.5Å; G50-E118 VanDerWaalsContact CA-O 3.25Å; G50-E118 WeakPolarHBondContact CA-O 3.48Å; V51-E118 PolarHBondContact N-O 3.12Å; V51-E118 PolarHBondContact O-N 3.3Å; Q94-E118 PolarHBondContact NE2-OE1 3.24Å; H95-E118 WeakPolarHBondContact O-CA 3.39Å; L96-E118 HydrophobicContact CD2-CB 3.58Å; L96-E118 HydrophobicContact CD2-CG 3.74Å
119G90.5Very high90.7Very high8 Ų842.8 Ų42.88%0.08225%0.246CC..EExtended strand (participates in β ladder)trans-161.7172.7172.800000112.8Q94 H95 T121Q94-G119 WeakPolarHBondContact CA-O 3.4Å; H95-G119 PolarHBondContact N-O 2.75Å; H95-G119 PolarHBondContact O-N 2.77Å; H95-G119 VanDerWaalsContact O-N 3.08Å; G119-T121 PolarHBondContact O-N 3.17Å
120N88Confident92.1Very high107 Ų10739 Ų3957%0.57222%0.22SC*.SBendtrans-76.6-9.1174.6-69.3-38.7000113S93 H95S93-N120 CarbonylContact O-C 3.32Å; S93-N120 VanDerWaalsContact O-CA 3.3Å; S93-N120 WeakPolarHBondContact O-CA 3.45Å; H95-N120 PolarHBondContact CD2-O 2.99Å
121T89.2Confident93Very high78 Ų7838.6 Ų38.648%0.47921%0.213SC..SBendtrans-139167.2172.962.20000108.5H95 Y117 G119H95-T121 VanDerWaalsContact CD2-CA 3.46Å; H95-T121 WeakPolarHBondContact CD2-CA 3.09Å; Y117-T121 VanDerWaalsContact CE1-O 3.31Å; Y117-T121 WeakPolarHBondContact CE1-O 3.48Å; Y117-T121 PolarHBondContact OH-O 3.3Å; G119-T121 PolarHBondContact O-N 3.17Å
122K90.9Very high93.4Very high85 Ų8537.5 Ų37.537%0.3720%0.202SC..SBendtrans-52.8156.4164.973.4174.9-169171.40111.2W97 A124 F126 D170W97-K122 HydrophobicContact CZ2-CB 3.68Å; W97-K122 HydrophobicContact CZ2-CD 4.49Å; K122-A124 PolarHBondContact O-N 3.37Å; K122-F126 HydrophobicContact CD-CE2 4.48Å; K122-D170 IonicContact NZ-OD1 2.75Å; K122-D170 PolarHBondContact NZ-OD1 2.79Å; K122-D170 IonicContact NZ-OD2 2.7Å; K122-D170 PolarHBondContact NZ-OD2 2.82Å
123P92.8Very high93.7Very high2 Ų236.9 Ų36.91%0.01320%0.199CC..  trans-50.5127174.9-23.429.4000110.9W97 Y117 F126 I129W97-P123 HydrophobicContact CB-CG 4.2Å; W97-P123 VanDerWaalsContact CD1-CD 3.48Å; W97-P123 HydrophobicContact CD2-CG 4.3Å; W97-P123 HydrophobicContact CG-CG 3.98Å; Y117-P123 HydrophobicContact CD1-CG 3.64Å; Y117-P123 HydrophobicContact CD2-CG 4.24Å; Y117-P123 HydrophobicContact CE1-CB 4.5Å; Y117-P123 HydrophobicContact CE1-CG 3.79Å; Y117-P123 HydrophobicContact CE2-CB 4.41Å; Y117-P123 HydrophobicContact CE2-CG 4.36Å; Y117-P123 HydrophobicContact CG-CG 3.86Å; P123-F126 HydrophobicContact CB-CD2 4.13Å; P123-F126 HydrophobicContact CB-CE2 4.01Å; P123-F126 HydrophobicContact CB-CZ 4.34Å; P123-F126 HydrophobicContact CG-CE1 4.37Å; P123-F126 HydrophobicContact CG-CE2 4.24Å; P123-F126 HydrophobicContact CG-CZ 4.09Å; P123-F126 WeakPolarHBondContact O-CE2 3.37Å; P123-I129 HydrophobicContact CB-CD1 4.33Å; P123-I129 HydrophobicContact CB-CG2 4.19Å; P123-I129 HydrophobicContact CG-CD1 3.83Å; P123-I129 HydrophobicContact CG-CG2 4.26Å
124A91.1Very high94Very high55 Ų5533.7 Ų33.746%0.45518%0.183SC..SBendtrans-69.4-28.4173.500000111.8S49 K122S49-A124 PolarHBondContact OG-N 3.15Å; K122-A124 PolarHBondContact O-N 3.37Å
125Q92.9Very high94Very high79 Ų7936.4 Ų36.437%0.36920%0.203SC..  trans-131.1100-179.2-66.1-60.9-32.100109.8N127 E128 Y173Q125-N127 PolarHBondContact O-N 3.31Å; Q125-E128 HydrophobicContact CB-CB 4.13Å; Q125-E128 HydrophobicContact CB-CG 3.77Å; Q125-E128 WeakPolarHBondContact CB-OE1 3.35Å; Q125-E128 WeakPolarHBondContact CG-OE1 3.26Å; Q125-E128 PolarHBondContact O-N 2.86Å; Q125-E128 VanDerWaalsContact O-N 3.08Å; Q125-Y173 PolarHBondContact OE1-OH 2.94Å
126F95.6Very high94Very high5 Ų537.6 Ų37.62%0.02221%0.208CC..Hα-helixtrans-67.2-25.5178.2-86-100.1000112.7I83 W97 K122 P123 E128 I129 S130 D170 V171 Y173I83-F126 HydrophobicContact CG2-CD1 4.38Å; I83-F126 HydrophobicContact CG2-CE1 4.22Å; W97-F126 HydrophobicContact CD2-CE1 4.33Å; W97-F126 HydrophobicContact CD2-CZ 4.17Å; W97-F126 AromaticContact CE3-CE1 3.56Å; W97-F126 HydrophobicContact CE3-CE1 3.56Å; W97-F126 AromaticContact CE3-CZ 3.73Å; W97-F126 HydrophobicContact CE3-CZ 3.73Å; W97-F126 HydrophobicContact CH2-CE1 4.13Å; W97-F126 AromaticContact CH2-CZ 3.64Å; W97-F126 HydrophobicContact CH2-CZ 3.64Å; W97-F126 HydrophobicContact CZ2-CZ 4.09Å; W97-F126 AromaticContact CZ3-CE1 3.44Å; W97-F126 HydrophobicContact CZ3-CE1 3.44Å; W97-F126 VanDerWaalsContact CZ3-CE1 3.44Å; W97-F126 AromaticContact CZ3-CZ 3.45Å; W97-F126 HydrophobicContact CZ3-CZ 3.45Å; W97-F126 VanDerWaalsContact CZ3-CZ 3.45Å; K122-F126 HydrophobicContact CD-CE2 4.48Å; P123-F126 HydrophobicContact CB-CD2 4.13Å; P123-F126 HydrophobicContact CB-CE2 4.01Å; P123-F126 HydrophobicContact CB-CZ 4.34Å; P123-F126 HydrophobicContact CG-CE1 4.37Å; P123-F126 HydrophobicContact CG-CE2 4.24Å; P123-F126 HydrophobicContact CG-CZ 4.09Å; P123-F126 WeakPolarHBondContact O-CE2 3.37Å; F126-E128 VanDerWaalsContact C-N 3.27Å; F126-E128 PolarHBondContact O-N 2.85Å; F126-I129 HydrophobicContact CD1-CD1 3.87Å; F126-I129 HydrophobicContact CD1-CG1 4.44Å; F126-I129 HydrophobicContact CE1-CD1 4.17Å; F126-I129 VanDerWaalsContact O-CG1 3.26Å; F126-I129 WeakPolarHBondContact O-CG1 3.39Å; F126-S130 VanDerWaalsContact O-CB 3.3Å; F126-S130 WeakPolarHBondContact O-CB 3.49Å; F126-S130 PolarHBondContact O-N 2.76Å; F126-S130 VanDerWaalsContact O-N 3.13Å; F126-S130 PolarHBondContact O-OG 3.12Å; F126-D170 HydrophobicContact CD1-CB 4.3Å; F126-D170 HydrophobicContact CD2-CB 3.56Å; F126-D170 HydrophobicContact CE1-CB 4.19Å; F126-D170 HydrophobicContact CE2-CB 3.44Å; F126-D170 VanDerWaalsContact CE2-CB 3.44Å; F126-D170 HydrophobicContact CG-CB 3.99Å; F126-D170 HydrophobicContact CZ-CB 3.76Å; F126-V171 HydrophobicContact CD1-CG2 3.57Å; F126-V171 HydrophobicContact CE1-CG2 4.09Å; F126-V171 HydrophobicContact CG-CG2 4.4Å; F126-Y173 HydrophobicContact CB-CE2 4.16Å; F126-Y173 PolarHBondContact N-OH 3.14Å
127N97Very high94Very high38 Ų3836 Ų3620%0.20320%0.2CC..Hα-helixtrans-60.9-35.9170.5-75.6-14000112.1Q125 S130 A131 Y173 H224 I226Q125-N127 PolarHBondContact O-N 3.31Å; N127-S130 PolarHBondContact O-N 3.31Å; N127-A131 WeakPolarHBondContact O-CB 3.29Å; N127-A131 PolarHBondContact O-N 2.81Å; N127-Y173 HydrophobicContact CB-CE2 4.22Å; N127-Y173 PolarHBondContact N-OH 2.86Å; N127-Y173 WeakPolarHBondContact OD1-CE2 3.27Å; N127-H224 PolarHBondContact ND2-O 3.41Å; N127-I226 HydrophobicContact CB-CB 4.28Å; N127-I226 HydrophobicContact CB-CG2 4.32Å; N127-I226 WeakPolarHBondContact OD1-CG2 3.32Å; N127-I226 PolarHBondContact OD1-N 3.18Å
128E95.5Very high93.9Very high64 Ų6440.9 Ų40.930%0.29922%0.221SC..Hα-helixtrans-71.5-37.1-176.8-72.5-173.3-131.200113.5K45 I47 Q125 F126 S130K45-E128 PolarHBondContact NZ-O 3.16Å; I47-E128 HydrophobicContact CD1-CB 3.88Å; I47-E128 HydrophobicContact CG1-CB 4.25Å; I47-E128 HydrophobicContact CG2-CB 4.25Å; I47-E128 WeakPolarHBondContact CG2-OE2 3.38Å; Q125-E128 HydrophobicContact CB-CB 4.13Å; Q125-E128 HydrophobicContact CB-CG 3.77Å; Q125-E128 WeakPolarHBondContact CB-OE1 3.35Å; Q125-E128 WeakPolarHBondContact CG-OE1 3.26Å; Q125-E128 PolarHBondContact O-N 2.86Å; Q125-E128 VanDerWaalsContact O-N 3.08Å; F126-E128 VanDerWaalsContact C-N 3.27Å; F126-E128 PolarHBondContact O-N 2.85Å; E128-S130 VanDerWaalsContact C-N 3.34Å
129I95.6Very high93.9Very high0 Ų043.5 Ų43.50%023%0.233CC..Hα-helixtrans-77.3-22.1175.464.1158.1000112.4I47 Y52 I83 Y117 P123 F126I47-I129 HydrophobicContact CD1-CB 4.49Å; I47-I129 HydrophobicContact CD1-CG2 3.41Å; I47-I129 VanDerWaalsContact CD1-CG2 3.41Å; Y52-I129 HydrophobicContact CD2-CB 3.99Å; Y52-I129 HydrophobicContact CD2-CG2 3.99Å; Y52-I129 HydrophobicContact CE2-CB 4.1Å; Y52-I129 HydrophobicContact CG-CB 4.46Å; Y52-I129 HydrophobicContact CG-CG2 4.27Å; Y52-I129 PolarHBondContact OH-O 2.81Å; I83-I129 HydrophobicContact CG2-CD1 4.31Å; Y117-I129 HydrophobicContact CD2-CG2 3.96Å; Y117-I129 HydrophobicContact CG-CG2 4.22Å; P123-I129 HydrophobicContact CB-CD1 4.33Å; P123-I129 HydrophobicContact CB-CG2 4.19Å; P123-I129 HydrophobicContact CG-CD1 3.83Å; P123-I129 HydrophobicContact CG-CG2 4.26Å; F126-I129 HydrophobicContact CD1-CD1 3.87Å; F126-I129 HydrophobicContact CD1-CG1 4.44Å; F126-I129 HydrophobicContact CE1-CD1 4.17Å; F126-I129 VanDerWaalsContact O-CG1 3.26Å; F126-I129 WeakPolarHBondContact O-CG1 3.39Å
130S96.8Very high93.9Very high2 Ų243.2 Ų43.21%0.01423%0.23CC..Hα-helixtrans-93.4-15.3-179.7-53.80000112.8F126 N127 E128 E132 T133 V134F126-S130 VanDerWaalsContact O-CB 3.3Å; F126-S130 WeakPolarHBondContact O-CB 3.49Å; F126-S130 PolarHBondContact O-N 2.76Å; F126-S130 VanDerWaalsContact O-N 3.13Å; F126-S130 PolarHBondContact O-OG 3.12Å; N127-S130 PolarHBondContact O-N 3.31Å; E128-S130 VanDerWaalsContact C-N 3.34Å; S130-E132 PolarHBondContact O-N 3.26Å; S130-T133 PolarHBondContact O-N 3.1Å; S130-V134 WeakPolarHBondContact O-CB 3.37Å; S130-V134 WeakPolarHBondContact O-CG2 3.47Å; S130-V134 PolarHBondContact O-N 3.24Å
131A96.6Very high93.8Very high26 Ų2641.1 Ų41.122%0.21522%0.221CC..Hα-helixtrans-56.8-50.6-169.200000114.4N127 V134 S135 I226N127-A131 WeakPolarHBondContact O-CB 3.29Å; N127-A131 PolarHBondContact O-N 2.81Å; A131-V134 PolarHBondContact O-N 2.86Å; A131-S135 WeakPolarHBondContact O-CB 3.42Å; A131-S135 PolarHBondContact O-N 3.44Å; A131-I226 HydrophobicContact CB-CD1 3.91Å
132E96.2Very high93.4Very high71 Ų7143.5 Ų43.533%0.33223%0.231SC..Hα-helixtrans-67.2-44.2-178.8-70.6167.611200110.7Y52 H54 S130 V134 S135 E136Y52-E132 WeakPolarHBondContact CE1-OE2 3.49Å; H54-E132 VanDerWaalsContact CB-OE2 3.27Å; H54-E132 WeakPolarHBondContact CB-OE2 3.48Å; H54-E132 IonicContact CD2-OE1 3.28Å; H54-E132 IonicContact CG-OE1 2.84Å; H54-E132 IonicContact CG-OE2 3.82Å; S130-E132 PolarHBondContact O-N 3.26Å; E132-V134 VanDerWaalsContact C-N 3.34Å; E132-V134 PolarHBondContact O-N 2.91Å; E132-S135 WeakPolarHBondContact O-CB 3.45Å; E132-S135 PolarHBondContact O-N 2.63Å; E132-E136 WeakPolarHBondContact O-CG 3.35Å; E132-E136 PolarHBondContact O-N 3.4Å
133T96.5Very high92.9Very high1 Ų146.3 Ų46.31%0.00625%0.247CC..Hα-helixtrans-57.5-46.5176.5-55.60000111.3L57 I81 V99 I114 S130 E136 I137L57-T133 HydrophobicContact CD2-CG2 4.29Å; I81-T133 HydrophobicContact CD1-CG2 3.8Å; V99-T133 HydrophobicContact CG1-CG2 4.28Å; I114-T133 HydrophobicContact CD1-CG2 4.19Å; I114-T133 HydrophobicContact CG2-CG2 3.97Å; I114-T133 VanDerWaalsContact CG2-OG1 3.26Å; I114-T133 WeakPolarHBondContact CG2-OG1 3.39Å; S130-T133 PolarHBondContact O-N 3.1Å; T133-E136 PolarHBondContact O-N 3.34Å; T133-I137 HydrophobicContact CG2-CD1 4.2Å; T133-I137 VanDerWaalsContact O-CG1 3.25Å; T133-I137 WeakPolarHBondContact O-CG1 3.24Å; T133-I137 PolarHBondContact O-N 3.2Å
134V97Very high92.4Very high3 Ų346.7 Ų46.72%0.01825%0.251CS..Hα-helixtrans-68.4-37.9178.8168.90000111.9S130 A131 E132 I137 K138 I226 F227 L230S130-V134 WeakPolarHBondContact O-CB 3.37Å; S130-V134 WeakPolarHBondContact O-CG2 3.47Å; S130-V134 PolarHBondContact O-N 3.24Å; A131-V134 PolarHBondContact O-N 2.86Å; E132-V134 VanDerWaalsContact C-N 3.34Å; E132-V134 PolarHBondContact O-N 2.91Å; V134-I137 PolarHBondContact O-N 2.82Å; V134-K138 WeakPolarHBondContact O-CB 3.38Å; V134-K138 PolarHBondContact O-N 2.7Å; V134-I226 HydrophobicContact CB-CG1 4.34Å; V134-I226 HydrophobicContact CB-CG2 4.49Å; V134-I226 HydrophobicContact CG1-CG1 4.03Å; V134-I226 HydrophobicContact CG2-CG2 4.05Å; V134-F227 HydrophobicContact CG2-CD1 3.93Å; V134-F227 HydrophobicContact CG2-CD2 4.24Å; V134-F227 HydrophobicContact CG2-CE1 3.77Å; V134-F227 HydrophobicContact CG2-CE2 4.09Å; V134-F227 HydrophobicContact CG2-CG 4.16Å; V134-F227 HydrophobicContact CG2-CZ 3.85Å; V134-L230 HydrophobicContact CG1-CD1 4.05Å; V134-L230 HydrophobicContact CG1-CD2 3.98Å; V134-L230 HydrophobicContact CG1-CG 3.85Å; V134-L230 HydrophobicContact CG2-CD1 4.33Å
135S95.6Very high92Very high58 Ų5844.1 Ų44.141%0.40623%0.23SC..Hα-helixtrans-59.9-47.2173.3-167.30000111.2A131 E132 I137 K138 E139A131-S135 WeakPolarHBondContact O-CB 3.42Å; A131-S135 PolarHBondContact O-N 3.44Å; E132-S135 WeakPolarHBondContact O-CB 3.45Å; E132-S135 PolarHBondContact O-N 2.63Å; S135-I137 PolarHBondContact O-N 3.19Å; S135-K138 WeakPolarHBondContact O-CB 3.4Å; S135-K138 PolarHBondContact O-N 3.31Å; S135-E139 WeakPolarHBondContact O-CG 3.49Å; S135-E139 PolarHBondContact O-N 3.35Å
136E95.1Very high91.7Very high24 Ų2443 Ų4311%0.11223%0.227CC..Hα-helixtrans-62.3-41.5177.6-70.5178.9109.600111.8H54 L57 K58 E132 T133 K138 E139 M140H54-E136 IonicContact CE1-OE2 3.35Å; H54-E136 PolarHBondContact CE1-OE2 3.4Å; H54-E136 IonicContact NE2-OE1 3.78Å; H54-E136 IonicContact NE2-OE2 3.68Å; H54-E136 PolarHBondContact NE2-OE2 3.36Å; L57-E136 HydrophobicContact CB-CB 4.23Å; L57-E136 WeakPolarHBondContact CB-OE2 3.37Å; L57-E136 HydrophobicContact CD2-CB 4.41Å; L57-E136 VanDerWaalsContact N-CD 3.29Å; L57-E136 PolarHBondContact N-OE1 3.36Å; L57-E136 PolarHBondContact N-OE2 3Å; K58-E136 PolarHBondContact N-OE1 3.47Å; E132-E136 WeakPolarHBondContact O-CG 3.35Å; E132-E136 PolarHBondContact O-N 3.4Å; T133-E136 PolarHBondContact O-N 3.34Å; E136-K138 VanDerWaalsContact C-N 3.33Å; E136-K138 PolarHBondContact O-N 2.84Å; E136-E139 PolarHBondContact O-N 3.26Å; E136-M140 HydrophobicContact CB-CE 4.34Å; E136-M140 WeakPolarHBondContact O-CB 3.38Å; E136-M140 VanDerWaalsContact O-CE 3.29Å; E136-M140 WeakPolarHBondContact O-CE 3.4Å; E136-M140 VanDerWaalsContact O-CG 3.22Å; E136-M140 WeakPolarHBondContact O-CG 3.44Å; E136-M140 PolarHBondContact O-N 3.22Å
137I94.8Very high91.2Very high3 Ų342.8 Ų42.82%0.01523%0.226CC..Hα-helixtrans-61-44.4175.1-66.2166.3000110.6L57 L79 I81 T133 V134 S135 M140 T141 L158 L230L57-I137 HydrophobicContact CD2-CD1 4.21Å; L57-I137 HydrophobicContact CD2-CG1 3.42Å; L57-I137 VanDerWaalsContact CD2-CG1 3.42Å; L79-I137 HydrophobicContact CD2-CG1 4.38Å; I81-I137 HydrophobicContact CD1-CD1 3.33Å; I81-I137 HydrophobicContact CD1-CG1 4.43Å; T133-I137 HydrophobicContact CG2-CD1 4.2Å; T133-I137 VanDerWaalsContact O-CG1 3.25Å; T133-I137 WeakPolarHBondContact O-CG1 3.24Å; T133-I137 PolarHBondContact O-N 3.2Å; V134-I137 PolarHBondContact O-N 2.82Å; S135-I137 PolarHBondContact O-N 3.19Å; I137-M140 CarbonylContact O-C 3.58Å; I137-M140 PolarHBondContact O-N 2.95Å; I137-T141 WeakPolarHBondContact O-CB 3.47Å; I137-T141 PolarHBondContact O-N 3.28Å; I137-T141 PolarHBondContact O-OG1 3.27Å; I137-L158 HydrophobicContact CD1-CD2 4.02Å; I137-L158 HydrophobicContact CG2-CB 4.27Å; I137-L230 HydrophobicContact CB-CD1 4.33Å; I137-L230 HydrophobicContact CB-CD2 4.25Å; I137-L230 HydrophobicContact CD1-CD1 4.27Å; I137-L230 HydrophobicContact CG2-CD1 3.9Å; I137-L230 HydrophobicContact CG2-CD2 3.93Å
138K93.3Very high90.6Very high103 Ų10346.7 Ų46.745%0.44825%0.251SS..Hα-helixtrans-60.8-49.5179.6-170.1175.6-178.5175.80111.1V134 S135 E136 M140 T141 D142 L230V134-K138 WeakPolarHBondContact O-CB 3.38Å; V134-K138 PolarHBondContact O-N 2.7Å; S135-K138 WeakPolarHBondContact O-CB 3.4Å; S135-K138 PolarHBondContact O-N 3.31Å; E136-K138 VanDerWaalsContact C-N 3.33Å; E136-K138 PolarHBondContact O-N 2.84Å; K138-M140 VanDerWaalsContact C-N 3.27Å; K138-M140 PolarHBondContact O-N 3.49Å; K138-T141 PolarHBondContact O-N 3.2Å; K138-T141 VanDerWaalsContact O-N 3.12Å; K138-D142 PolarHBondContact O-N 3.34Å; K138-L230 HydrophobicContact CB-CD2 3.88Å
139E91.4Very high90.1Very high101 Ų10149.8 Ų49.847%0.47226%0.263SS..Hα-helixtrans-56.5-40.5175.7-72.2174.3-154.700112.6S135 E136S135-E139 WeakPolarHBondContact O-CG 3.49Å; S135-E139 PolarHBondContact O-N 3.35Å; E136-E139 PolarHBondContact O-N 3.26Å
140M89.8Confident89.6Confident3 Ų353.3 Ų53.32%0.01528%0.278CS..Hα-helixtrans-79.2-21179.7-67.5-174.6-62.800113.6L57 K58 L61 E136 I137 K138 D142 G144 P145 I156L57-M140 HydrophobicContact CD2-CE 3.45Å; L57-M140 VanDerWaalsContact CD2-CE 3.45Å; L57-M140 HydrophobicContact CG-CE 3.74Å; K58-M140 HydrophobicContact CB-SD 4.11Å; K58-M140 HydrophobicContact CG-SD 4.15Å; L61-M140 HydrophobicContact CD1-CE 3.61Å; L61-M140 HydrophobicContact CD1-SD 3.67Å; E136-M140 HydrophobicContact CB-CE 4.34Å; E136-M140 WeakPolarHBondContact O-CB 3.38Å; E136-M140 VanDerWaalsContact O-CE 3.29Å; E136-M140 WeakPolarHBondContact O-CE 3.4Å; E136-M140 VanDerWaalsContact O-CG 3.22Å; E136-M140 WeakPolarHBondContact O-CG 3.44Å; E136-M140 PolarHBondContact O-N 3.22Å; I137-M140 CarbonylContact O-C 3.58Å; I137-M140 PolarHBondContact O-N 2.95Å; K138-M140 VanDerWaalsContact C-N 3.27Å; K138-M140 PolarHBondContact O-N 3.49Å; M140-D142 VanDerWaalsContact C-N 3.32Å; M140-G144 WeakPolarHBondContact O-CA 3.5Å; M140-G144 PolarHBondContact O-N 3.08Å; M140-P145 HydrophobicContact SD-CB 4.5Å; M140-P145 HydrophobicContact SD-CG 4.13Å; M140-I156 HydrophobicContact CB-CB 4.37Å; M140-I156 HydrophobicContact CB-CG1 4.23Å; M140-I156 HydrophobicContact SD-CG1 4.13Å
141T85.9Confident89.2Confident62 Ų6259.8 Ų59.838%0.3831%0.313SS..Hα-helixtrans-70.5-34.8175.5-56.90000110.5I137 K138 P231I137-T141 WeakPolarHBondContact O-CB 3.47Å; I137-T141 PolarHBondContact O-N 3.28Å; I137-T141 PolarHBondContact O-OG1 3.27Å; K138-T141 PolarHBondContact O-N 3.2Å; K138-T141 VanDerWaalsContact O-N 3.12Å; T141-P231 HydrophobicContact CG2-CG 4.04Å
142D81.1Confident88.7Confident128 Ų12860.3 Ų60.368%0.68431%0.31SS*.Hα-helixtrans-77-39.9-177.3-67.4-18.5000113.1K138 M140K138-D142 PolarHBondContact O-N 3.34Å; M140-D142 VanDerWaalsContact C-N 3.32Å
143M81.1Confident88.3Confident144 Ų14463.4 Ų63.471%0.70932%0.32SS*.Hα-helixtrans-130.4-15.2-176.4-72.5-167.5-74.400115.5Y153M143-Y153 WeakPolarHBondContact O-CD1 3.48Å
144G81.4Confident87.8Confident10 Ų1063.4 Ų63.410%0.10332%0.32CS..  trans69.9156.7-169.500000113.5M140 Y153 I154M140-G144 WeakPolarHBondContact O-CA 3.5Å; M140-G144 PolarHBondContact O-N 3.08Å; G144-Y153 WeakPolarHBondContact O-CD1 3.28Å; G144-I154 WeakPolarHBondContact CA-O 3.44Å
145P83.7Confident87.3Confident1 Ų165.4 Ų65.41%0.00634%0.337CS..  trans-67.4135.5167.327.1-35.4000111.5L62 M140 I154 I156L62-P145 HydrophobicContact CD2-CB 3.78Å; L62-P145 HydrophobicContact CG-CB 4.05Å; M140-P145 HydrophobicContact SD-CB 4.5Å; M140-P145 HydrophobicContact SD-CG 4.13Å; P145-I154 VanDerWaalsContact CD-O 3.22Å; P145-I154 WeakPolarHBondContact CD-O 3.49Å; P145-I154 PolarHBondContact O-N 3.23Å; P145-I154 VanDerWaalsContact O-N 3.16Å; P145-I156 HydrophobicContact CG-CD1 4.2Å; P145-I156 HydrophobicContact CG-CG1 4.08Å
146L85.6Confident86.9Confident57 Ų5763.1 Ų63.130%0.29832%0.32SS..EExtended strand (participates in β ladder)trans-81.1116169.3176.462.7000109.6L62 V148 Y153L62-L146 WeakPolarHBondContact CD2-O 3.41Å; L146-V148 PolarHBondContact O-N 3.04Å; L146-Y153 HydrophobicContact CB-CD1 4.02Å; L146-Y153 HydrophobicContact CB-CE1 3.71Å; L146-Y153 HydrophobicContact CD1-CD2 3.99Å; L146-Y153 HydrophobicContact CD1-CE2 3.87Å; L146-Y153 HydrophobicContact CD1-CG 4.35Å
147S84.9Confident86.7Confident0 Ų067.5 Ų67.50%034%0.338CS..EExtended strand (participates in β ladder)trans-75.6108.1161178.90000109E66 K149 F150 N151 K152E66-S147 WeakPolarHBondContact CG-OG 3.46Å; E66-S147 PolarHBondContact OE1-OG 3.27Å; S147-K149 VanDerWaalsContact C-N 3.28Å; S147-K149 PolarHBondContact O-N 3.19Å; S147-F150 PolarHBondContact O-N 2.69Å; S147-F150 WeakPolarHBondContact OG-CD2 3.3Å; S147-N151 VanDerWaalsContact O-CA 3.27Å; S147-N151 WeakPolarHBondContact O-CA 3.38Å; S147-N151 PolarHBondContact O-N 3.47Å; S147-K152 PolarHBondContact N-O 3.39Å; S147-K152 PolarHBondContact O-N 2.93Å
148V85.4Confident86.7Confident120 Ų12068 Ų6873%0.72734%0.341SS*.THydrogen-bonded Turntrans-63.2-39.4177.4179.40000110.4L146 F150 N151L146-V148 PolarHBondContact O-N 3.04Å; V148-F150 VanDerWaalsContact C-N 3.27Å; V148-F150 PolarHBondContact O-N 2.96Å; V148-N151 PolarHBondContact O-N 3.12Å
149K84.7Confident86.8Confident129 Ų12964.6 Ų64.656%0.56133%0.329SS*.THydrogen-bonded Turntrans-58.8-36.9-179.9-176.7177.6175.6-171.30113.1E66 C70 S147E66-K149 HydrophobicContact CG-CB 4.47Å; C70-K149 PolarHBondContact SG-NZ 3.46Å; S147-K149 VanDerWaalsContact C-N 3.28Å; S147-K149 PolarHBondContact O-N 3.19Å
150F85.3Confident87.1Confident74 Ų7462.5 Ų62.533%0.32532%0.319SS..THydrogen-bonded Turntrans-108.20.8-177.9-64.2-80.1000113.4E66 L69 C70 S147 V148 K152E66-F150 HydrophobicContact CB-CE2 4.48Å; E66-F150 WeakPolarHBondContact O-CE2 3.21Å; L69-F150 HydrophobicContact CB-CD1 4.28Å; L69-F150 HydrophobicContact CB-CD2 3.52Å; L69-F150 HydrophobicContact CB-CE1 4.21Å; L69-F150 HydrophobicContact CB-CE2 3.45Å; L69-F150 VanDerWaalsContact CB-CE2 3.45Å; L69-F150 HydrophobicContact CB-CG 3.95Å; L69-F150 HydrophobicContact CB-CZ 3.81Å; L69-F150 HydrophobicContact CD1-CB 3.94Å; L69-F150 HydrophobicContact CD1-CD2 3.59Å; L69-F150 HydrophobicContact CD1-CE2 4.34Å; L69-F150 HydrophobicContact CD1-CG 3.9Å; L69-F150 HydrophobicContact CG-CD2 4.24Å; C70-F150 HydrophobicContact CB-CZ 4.44Å; S147-F150 PolarHBondContact O-N 2.69Å; S147-F150 WeakPolarHBondContact OG-CD2 3.3Å; V148-F150 VanDerWaalsContact C-N 3.27Å; V148-F150 PolarHBondContact O-N 2.96Å; F150-K152 HydrophobicContact CB-CB 4.31Å; F150-K152 PolarHBondContact O-N 2.95Å
151N88.2Confident87.5Confident138 Ų13862.3 Ų62.374%0.73832%0.318SS*.THydrogen-bonded Turntrans45.945.4-172.5-166.844.9000113S147 V148S147-N151 VanDerWaalsContact O-CA 3.27Å; S147-N151 WeakPolarHBondContact O-CA 3.38Å; S147-N151 PolarHBondContact O-N 3.47Å; V148-N151 PolarHBondContact O-N 3.12Å
152K85.6Confident88Confident37 Ų3761.1 Ų61.116%0.16131%0.309CS..EExtended strand (participates in β ladder)trans-131.4129.6-172.2-172.2176.1-172.1-174.80111.3L69 D73 V74 D75 S147 F150L69-K152 HydrophobicContact CD2-CD 4.43Å; D73-K152 IonicContact OD1-NZ 3.73Å; D73-K152 PolarHBondContact OD1-NZ 2.83Å; V74-K152 VanDerWaalsContact C-NZ 3.26Å; V74-K152 WeakPolarHBondContact O-CE 3.28Å; V74-K152 PolarHBondContact O-NZ 2.97Å; D75-K152 WeakPolarHBondContact OD1-CE 3.1Å; D75-K152 IonicContact OD1-NZ 3.82Å; D75-K152 PolarHBondContact OD1-NZ 3.33Å; S147-K152 PolarHBondContact N-O 3.39Å; S147-K152 PolarHBondContact O-N 2.93Å; F150-K152 HydrophobicContact CB-CB 4.31Å; F150-K152 PolarHBondContact O-N 2.95Å
153Y87.1Confident88.7Confident135 Ų13555.1 Ų55.153%0.52928%0.277SS..EExtended strand (participates in β ladder)trans-81.4139.9166.3-74.4-85.5000110M143 G144 L146M143-Y153 WeakPolarHBondContact O-CD1 3.48Å; G144-Y153 WeakPolarHBondContact O-CD1 3.28Å; L146-Y153 HydrophobicContact CB-CD1 4.02Å; L146-Y153 HydrophobicContact CB-CE1 3.71Å; L146-Y153 HydrophobicContact CD1-CD2 3.99Å; L146-Y153 HydrophobicContact CD1-CE2 3.87Å; L146-Y153 HydrophobicContact CD1-CG 4.35Å
154I86.1Confident89.2Confident1 Ų149.6 Ų49.61%0.00525%0.251CS..  trans-123.4120.6-177.8-56173.9000107.9V65 L69 L77 G144 P145 I156V65-I154 HydrophobicContact CB-CD1 4.04Å; V65-I154 HydrophobicContact CG1-CD1 3.02Å; V65-I154 HydrophobicContact CG1-CG1 4.48Å; V65-I154 HydrophobicContact CG2-CD1 3.81Å; L69-I154 HydrophobicContact CD1-CD1 3.62Å; L69-I154 HydrophobicContact CD1-CG1 4.48Å; L69-I154 HydrophobicContact CD2-CD1 4.47Å; L69-I154 HydrophobicContact CG-CD1 4.18Å; L77-I154 HydrophobicContact CB-CG2 4.46Å; L77-I154 HydrophobicContact CD1-CG2 3.96Å; L77-I154 HydrophobicContact CG-CG2 3.85Å; G144-I154 WeakPolarHBondContact CA-O 3.44Å; P145-I154 VanDerWaalsContact CD-O 3.22Å; P145-I154 WeakPolarHBondContact CD-O 3.49Å; P145-I154 PolarHBondContact O-N 3.23Å; P145-I154 VanDerWaalsContact O-N 3.16Å; I154-I156 HydrophobicContact CG2-CD1 4.36Å; I154-I156 PolarHBondContact O-N 3.46Å
155A87.9Confident89.8Confident45 Ų4550.2 Ų50.237%0.37226%0.255SS..EExtended strand (participates in β ladder)trans-66.4135.2173.800000109.5D75 T76 L77D75-A155 WeakPolarHBondContact O-CB 3.47Å; D75-A155 PolarHBondContact O-N 2.86Å; T76-A155 CarbonylContact C-O 3.55Å; T76-A155 VanDerWaalsContact CA-O 3.29Å; T76-A155 WeakPolarHBondContact CA-O 3.37Å; T76-A155 HydrophobicContact CG2-CB 4.22Å; L77-A155 PolarHBondContact N-O 3.45Å
156I87.1Confident90.3Very high10 Ų1052.4 Ų52.45%0.05127%0.269CS..EExtended strand (participates in β ladder)trans-109.8129.8171.5-54.9-58.3000107.8L61 L77 L79 M140 P145 I154L61-I156 HydrophobicContact CD1-CD1 4.18Å; L61-I156 HydrophobicContact CD1-CG1 4.2Å; L61-I156 HydrophobicContact CD1-CG2 4.36Å; L77-I156 HydrophobicContact CB-CD1 3.73Å; L77-I156 HydrophobicContact CD1-CD1 3.95Å; L77-I156 HydrophobicContact CG-CD1 4.34Å; L79-I156 HydrophobicContact CB-CG2 3.96Å; L79-I156 HydrophobicContact CD2-CG2 4.12Å; M140-I156 HydrophobicContact CB-CB 4.37Å; M140-I156 HydrophobicContact CB-CG1 4.23Å; M140-I156 HydrophobicContact SD-CG1 4.13Å; P145-I156 HydrophobicContact CG-CD1 4.2Å; P145-I156 HydrophobicContact CG-CG1 4.08Å; I154-I156 HydrophobicContact CG2-CD1 4.36Å; I154-I156 PolarHBondContact O-N 3.46Å
157K90.9Very high90.8Very high116 Ų11649.7 Ų49.750%0.50426%0.255SS..EExtended strand (participates in β ladder)trans-117.5108.4175-176-176.1174.3-1690109.5T76 L77 L79 T159T76-K157 HydrophobicContact CG2-CB 4.29Å; L77-K157 PolarHBondContact O-N 2.97Å; L79-K157 PolarHBondContact N-O 2.83Å; K157-T159 PolarHBondContact O-N 3.44Å; K157-T159 VanDerWaalsContact O-N 3.14Å; K157-T159 PolarHBondContact O-OG1 2.75Å; K157-T159 VanDerWaalsContact O-OG1 3.09Å
158L95.1Very high91.3Very high13 Ų1349.9 Ų49.97%0.06826%0.255CS..EExtended strand (participates in β ladder)trans-63.8114.8166.8178.864.1000108.3L79 I81 I137 V161 F227 L230 I232 T237L79-L158 HydrophobicContact CD2-CD1 4.39Å; L79-L158 HydrophobicContact CG-CD1 4.33Å; I81-L158 HydrophobicContact CB-CD1 4.32Å; I81-L158 HydrophobicContact CD1-CD1 3.76Å; I81-L158 HydrophobicContact CG1-CD1 3.87Å; I137-L158 HydrophobicContact CD1-CD2 4.02Å; I137-L158 HydrophobicContact CG2-CB 4.27Å; L158-V161 HydrophobicContact CD1-CG2 4.14Å; L158-V161 HydrophobicContact CD2-CG2 3.95Å; L158-V161 HydrophobicContact CG-CG2 4.35Å; L158-F227 HydrophobicContact CD2-CD1 4.37Å; L158-F227 HydrophobicContact CD2-CE1 4.33Å; L158-L230 HydrophobicContact CD2-CD1 3.9Å; L158-I232 HydrophobicContact CD2-CD1 4.05Å; L158-I232 HydrophobicContact CD2-CG2 4.3Å; L158-T237 HydrophobicContact CG-CG2 4.35Å
159T95.3Very high91.9Very high33 Ų3344.3 Ų44.320%0.20222%0.222CC..EExtended strand (participates in β ladder)trans-107.6-38.5-173.3-56.70000111.3L79 Y80 K157L79-T159 PolarHBondContact O-N 3.19Å; Y80-T159 HydrophobicContact CE1-CG2 3.78Å; K157-T159 PolarHBondContact O-N 3.44Å; K157-T159 VanDerWaalsContact O-N 3.14Å; K157-T159 PolarHBondContact O-OG1 2.75Å; K157-T159 VanDerWaalsContact O-OG1 3.09Å
160E96.9Very high92.4Very high56 Ų5639.9 Ų39.926%0.26220%0.204SC..EExtended strand (participates in β ladder)trans-141.8141.7178-61.6-174.7-172.500112.1Y80 I81 I162 T237 P239Y80-E160 CarbonylContact C-O 3.59Å; Y80-E160 WeakPolarHBondContact CA-O 3.32Å; Y80-E160 HydrophobicContact CD1-CB 3.6Å; Y80-E160 HydrophobicContact CD1-CG 3.9Å; Y80-E160 HydrophobicContact CE1-CB 3.85Å; Y80-E160 HydrophobicContact CE1-CG 3.58Å; Y80-E160 HydrophobicContact CG-CB 4.11Å; I81-E160 PolarHBondContact N-O 3.35Å; E160-I162 HydrophobicContact CB-CD1 4.41Å; E160-I162 HydrophobicContact CB-CG1 3.95Å; E160-T237 CarbonylContact C-O 3.53Å; E160-T237 WeakPolarHBondContact CA-O 3.37Å; E160-P239 HydrophobicContact CB-CG 4.2Å; E160-P239 HydrophobicContact CG-CG 4.25Å
161V97.7Very high93Very high0 Ų036.4 Ų36.40%019%0.189CC..EExtended strand (participates in β ladder)trans-114.798.7164.8-175.20000107.3I81 L158 F227 T237 F238I81-V161 HydrophobicContact CG2-CG1 4.47Å; I81-V161 CarbonylContact O-C 3.48Å; I81-V161 WeakPolarHBondContact O-CA 3.38Å; L158-V161 HydrophobicContact CD1-CG2 4.14Å; L158-V161 HydrophobicContact CD2-CG2 3.95Å; L158-V161 HydrophobicContact CG-CG2 4.35Å; V161-F227 HydrophobicContact CG1-CE1 4.44Å; V161-F227 HydrophobicContact CG1-CZ 4.35Å; V161-F227 HydrophobicContact CG2-CD1 4.12Å; V161-F227 HydrophobicContact CG2-CE1 3.79Å; V161-F227 HydrophobicContact CG2-CZ 4.48Å; V161-T237 HydrophobicContact CG2-CG2 4.4Å; V161-T237 PolarHBondContact N-O 3.14Å; V161-F238 HydrophobicContact CB-CD1 3.8Å; V161-F238 HydrophobicContact CB-CE1 3.53Å; V161-F238 HydrophobicContact CB-CE2 4.37Å; V161-F238 HydrophobicContact CB-CG 4.36Å; V161-F238 HydrophobicContact CB-CZ 3.84Å; V161-F238 HydrophobicContact CG1-CD1 3.98Å; V161-F238 HydrophobicContact CG1-CE1 3.37Å; V161-F238 HydrophobicContact CG1-CZ 3.9Å; V161-F238 HydrophobicContact CG2-CE1 4.27Å; V161-F238 HydrophobicContact CG2-CE2 4.43Å; V161-F238 HydrophobicContact CG2-CZ 4.06Å
162I96.6Very high93.5Very high37 Ų3730 Ų3019%0.1915%0.154CC..EExtended strand (participates in β ladder)trans-91.1120.2-171.3-55.7172.3000109.1Y80 I81 N82 I83 E160 P239Y80-I162 HydrophobicContact CD2-CD1 4.07Å; Y80-I162 HydrophobicContact CG-CD1 4.36Å; I81-I162 PolarHBondContact O-N 2.98Å; N82-I162 VanDerWaalsContact CA-O 3.29Å; N82-I162 WeakPolarHBondContact CA-O 3.49Å; N82-I162 PolarHBondContact ND2-O 3.18Å; I83-I162 PolarHBondContact N-O 3.08Å; E160-I162 HydrophobicContact CB-CD1 4.41Å; E160-I162 HydrophobicContact CB-CG1 3.95Å; I162-P239 HydrophobicContact CG1-CG 4.18Å
163C95.3Very high94.1Very high1 Ų129.8 Ų29.81%0.00715%0.153CC..  trans-143150.6179.7-62.60000109.6I83 A167 R168I83-C163 PolarHBondContact O-SG 2.96Å; C163-A167 HydrophobicContact CB-CB 4.05Å; C163-R168 HydrophobicContact CB-CB 3.73Å; C163-R168 PolarHBondContact O-NH1 3.16Å; C163-R168 VanDerWaalsContact O-NH1 3.08Å
164D93.2Very high94.6Very high29 Ų2923.7 Ų23.716%0.15513%0.13CC..  trans-63.5170.7162.686.9-15.4000110.9P166 A167 R168 H244D164-P166 WeakPolarHBondContact OD1-CD 3.33Å; D164-P166 WeakPolarHBondContact OD2-CD 3.17Å; D164-A167 WeakPolarHBondContact OD1-CA 3.37Å; D164-A167 WeakPolarHBondContact OD1-CB 3.32Å; D164-A167 PolarHBondContact OD1-N 3.04Å; D164-R168 WeakPolarHBondContact O-CB 3.22Å; D164-R168 PolarHBondContact O-N 3.36Å; D164-H244 WeakPolarHBondContact CB-ND1 3.27Å
165A93.4Very high95.1Very high23 Ų2324.6 Ų24.619%0.1914%0.135CC..Hα-helixtrans-64.2-45.4-173.500000114S169 H177A165-S169 PolarHBondContact O-N 3.24Å; A165-S169 PolarHBondContact O-OG 3.16Å; A165-H177 HydrophobicContact CB-CB 4.33Å
166P94.1Very high95.4Very high46 Ų4625.4 Ų25.430%0.29913%0.133SC..Hα-helixtrans-57.6-52.7171.3-25.834.2000113.9D164 R168 S169 D170D164-P166 WeakPolarHBondContact OD1-CD 3.33Å; D164-P166 WeakPolarHBondContact OD2-CD 3.17Å; P166-R168 VanDerWaalsContact C-N 3.32Å; P166-R168 PolarHBondContact O-N 2.94Å; P166-S169 WeakPolarHBondContact O-CB 3.46Å; P166-S169 PolarHBondContact O-N 2.94Å; P166-S169 VanDerWaalsContact O-N 3.16Å; P166-D170 PolarHBondContact O-N 3.4Å
167A95.1Very high95.6Very high0 Ų028.2 Ų28.20%015%0.146CC..Hα-helixtrans-62.9-39.2-179.200000111.4W97 C163 D164 S169 D170 V171W97-A167 HydrophobicContact CH2-CB 3.99Å; W97-A167 HydrophobicContact CZ3-CB 3.66Å; C163-A167 HydrophobicContact CB-CB 4.05Å; D164-A167 WeakPolarHBondContact OD1-CA 3.37Å; D164-A167 WeakPolarHBondContact OD1-CB 3.32Å; D164-A167 PolarHBondContact OD1-N 3.04Å; A167-S169 VanDerWaalsContact C-N 3.27Å; A167-S169 PolarHBondContact O-N 3.02Å; A167-D170 PolarHBondContact O-N 3.39Å; A167-V171 WeakPolarHBondContact O-CB 3.42Å; A167-V171 VanDerWaalsContact O-CG2 3.27Å; A167-V171 WeakPolarHBondContact O-CG2 3.46Å; A167-V171 PolarHBondContact O-N 3.42Å
168R96.8Very high95.7Very high5 Ų527.2 Ų27.22%0.01915%0.146CC..Hα-helixtrans-59.4-41.3176.4-174.9164.857.8-110-7.9111.2C163 D164 P166 R172 D184 F238 P239C163-R168 HydrophobicContact CB-CB 3.73Å; C163-R168 PolarHBondContact O-NH1 3.16Å; C163-R168 VanDerWaalsContact O-NH1 3.08Å; D164-R168 WeakPolarHBondContact O-CB 3.22Å; D164-R168 PolarHBondContact O-N 3.36Å; P166-R168 VanDerWaalsContact C-N 3.32Å; P166-R168 PolarHBondContact O-N 2.94Å; R168-R172 HydrophobicContact CG-CG 4.43Å; R168-R172 VanDerWaalsContact O-CB 3.22Å; R168-R172 WeakPolarHBondContact O-CB 3.3Å; R168-R172 VanDerWaalsContact O-CG 3.32Å; R168-R172 WeakPolarHBondContact O-CG 3.35Å; R168-R172 PolarHBondContact O-N 2.84Å; R168-D184 IonicContact CZ-OD2 3.86Å; R168-D184 VanDerWaalsContact CZ-OD2 3.28Å; R168-D184 IonicContact NE-OD2 3.37Å; R168-D184 PolarHBondContact NE-OD2 2.83Å; R168-D184 IonicContact NH2-OD2 3.57Å; R168-D184 PolarHBondContact NH2-OD2 2.84Å; R168-F238 HydrophobicContact CG-CD1 4.24Å; R168-P239 PolarHBondContact NH1-O 3.03Å
169S96.8Very high95.6Very high2 Ų227.5 Ų27.51%0.01415%0.152CC..Hα-helixtrans-66-43.2177.8-53.40000111.2A165 P166 A167 Y173 T174A165-S169 PolarHBondContact O-N 3.24Å; A165-S169 PolarHBondContact O-OG 3.16Å; P166-S169 WeakPolarHBondContact O-CB 3.46Å; P166-S169 PolarHBondContact O-N 2.94Å; P166-S169 VanDerWaalsContact O-N 3.16Å; A167-S169 VanDerWaalsContact C-N 3.27Å; A167-S169 PolarHBondContact O-N 3.02Å; S169-Y173 WeakPolarHBondContact O-CA 3.1Å; S169-Y173 PolarHBondContact O-N 3.47Å; S169-T174 WeakPolarHBondContact CA-OG1 3.45Å; S169-T174 WeakPolarHBondContact CB-O 3.27Å; S169-T174 PolarHBondContact O-N 3.32Å
170D96.6Very high95.7Very high36 Ų3632 Ų3219%0.19317%0.169CC..Hα-helixtrans-65.6-44.9177.9-69.5-39.7000112.3K122 F126 P166 A167 Y173K122-D170 IonicContact NZ-OD1 2.75Å; K122-D170 PolarHBondContact NZ-OD1 2.79Å; K122-D170 IonicContact NZ-OD2 2.7Å; K122-D170 PolarHBondContact NZ-OD2 2.82Å; F126-D170 HydrophobicContact CD1-CB 4.3Å; F126-D170 HydrophobicContact CD2-CB 3.56Å; F126-D170 HydrophobicContact CE1-CB 4.19Å; F126-D170 HydrophobicContact CE2-CB 3.44Å; F126-D170 VanDerWaalsContact CE2-CB 3.44Å; F126-D170 HydrophobicContact CG-CB 3.99Å; F126-D170 HydrophobicContact CZ-CB 3.76Å; P166-D170 PolarHBondContact O-N 3.4Å; A167-D170 PolarHBondContact O-N 3.39Å; D170-Y173 WeakPolarHBondContact O-CD2 3.42Å; D170-Y173 PolarHBondContact O-N 3.31Å
171V97.6Very high95.7Very high1 Ų129.4 Ų29.41%0.00616%0.157CC..Hα-helixtrans-66.2-39.2178.9172.50000111.5I83 F126 A167 Y173 S225 F227 F238I83-V171 HydrophobicContact CB-CG2 4.13Å; I83-V171 HydrophobicContact CD1-CG1 4.26Å; I83-V171 HydrophobicContact CD1-CG2 4.1Å; I83-V171 HydrophobicContact CG2-CG2 3.9Å; F126-V171 HydrophobicContact CD1-CG2 3.57Å; F126-V171 HydrophobicContact CE1-CG2 4.09Å; F126-V171 HydrophobicContact CG-CG2 4.4Å; A167-V171 WeakPolarHBondContact O-CB 3.42Å; A167-V171 VanDerWaalsContact O-CG2 3.27Å; A167-V171 WeakPolarHBondContact O-CG2 3.46Å; A167-V171 PolarHBondContact O-N 3.42Å; V171-Y173 VanDerWaalsContact C-N 3.34Å; V171-S225 WeakPolarHBondContact O-CB 3.44Å; V171-S225 PolarHBondContact O-OG 3.16Å; V171-F227 HydrophobicContact CG1-CD2 3.84Å; V171-F227 HydrophobicContact CG1-CE2 3.63Å; V171-F238 HydrophobicContact CG1-CE1 3.77Å; V171-F238 HydrophobicContact CG1-CZ 4.16Å
172R97.9Very high95.6Very high3 Ų329.6 Ų29.61%0.01116%0.159CC..Hα-helixtrans-85.2-5.5179.3-68.4174.269.3-150.7-0.9113.6R168 T174 D184 F212 M234 I235 F238R168-R172 HydrophobicContact CG-CG 4.43Å; R168-R172 VanDerWaalsContact O-CB 3.22Å; R168-R172 WeakPolarHBondContact O-CB 3.3Å; R168-R172 VanDerWaalsContact O-CG 3.32Å; R168-R172 WeakPolarHBondContact O-CG 3.35Å; R168-R172 PolarHBondContact O-N 2.84Å; R172-T174 VanDerWaalsContact C-N 3.34Å; R172-T174 HydrophobicContact CB-CG2 4.05Å; R172-T174 PolarHBondContact O-N 2.67Å; R172-D184 IonicContact NH1-OD1 2.83Å; R172-D184 PolarHBondContact NH1-OD1 3.4Å; R172-F212 HydrophobicContact CB-CZ 4.07Å; R172-F212 VanDerWaalsContact NH2-CD2 3.27Å; R172-M234 HydrophobicContact CG-CE 4.44Å; R172-M234 PolarHBondContact NE-O 2.97Å; R172-M234 PolarHBondContact NH2-O 3.17Å; R172-I235 VanDerWaalsContact NH2-CD1 3.29Å; R172-F238 HydrophobicContact CG-CD1 3.7Å; R172-F238 HydrophobicContact CG-CD2 4.18Å; R172-F238 HydrophobicContact CG-CE1 3.61Å; R172-F238 HydrophobicContact CG-CE2 4.14Å; R172-F238 HydrophobicContact CG-CG 3.97Å; R172-F238 HydrophobicContact CG-CZ 3.86Å
173Y97.8Very high95.6Very high34 Ų3429.1 Ų29.113%0.13316%0.158CC..THydrogen-bonded Turntrans53.450.1-172.8-76-108.2000112Q125 F126 N127 S169 D170 V171 E222Q125-Y173 PolarHBondContact OE1-OH 2.94Å; F126-Y173 HydrophobicContact CB-CE2 4.16Å; F126-Y173 PolarHBondContact N-OH 3.14Å; N127-Y173 HydrophobicContact CB-CE2 4.22Å; N127-Y173 PolarHBondContact N-OH 2.86Å; N127-Y173 WeakPolarHBondContact OD1-CE2 3.27Å; S169-Y173 WeakPolarHBondContact O-CA 3.1Å; S169-Y173 PolarHBondContact O-N 3.47Å; D170-Y173 WeakPolarHBondContact O-CD2 3.42Å; D170-Y173 PolarHBondContact O-N 3.31Å; V171-Y173 VanDerWaalsContact C-N 3.34Å; Y173-E222 PolarHBondContact O-N 3.35Å
174T98Very high95.5Very high7 Ų729.7 Ų29.74%0.04316%0.162CC..BIsolated β-bridgetrans-114.4160.917362.10000111.4S169 R172 F212 H220S169-T174 WeakPolarHBondContact CA-OG1 3.45Å; S169-T174 WeakPolarHBondContact CB-O 3.27Å; S169-T174 PolarHBondContact O-N 3.32Å; R172-T174 VanDerWaalsContact C-N 3.34Å; R172-T174 HydrophobicContact CB-CG2 4.05Å; R172-T174 PolarHBondContact O-N 2.67Å; T174-F212 HydrophobicContact CG2-CE2 3.47Å; T174-F212 VanDerWaalsContact CG2-CE2 3.47Å; T174-F212 HydrophobicContact CG2-CZ 3.75Å; T174-H220 CarbonylContact C-O 3.48Å; T174-H220 WeakPolarHBondContact CA-O 3.4Å; T174-H220 VanDerWaalsContact CB-O 3.32Å; T174-H220 WeakPolarHBondContact CB-O 3.27Å; T174-H220 WeakPolarHBondContact CG2-NE2 3.38Å
175V97.1Very high95.6Very high20 Ų2031.6 Ų31.612%0.12117%0.167CC..  trans-58.7143.7168.7-62.30000110.3A181 I219 H220 E222V175-A181 VanDerWaalsContact CG2-C 3.46Å; V175-A181 HydrophobicContact CG2-CB 4.31Å; V175-A181 WeakPolarHBondContact CG2-O 3.48Å; V175-I219 WeakPolarHBondContact CG1-O 3.36Å; V175-H220 PolarHBondContact N-O 2.93Å; V175-E222 HydrophobicContact CG1-CG 4.11Å; V175-E222 WeakPolarHBondContact CG1-OE1 3Å
176N94.8Very high95.7Very high61 Ų6131.8 Ų31.833%0.32617%0.166SC..  trans-63.2161.4-178.7-153.1-30.4000111.6N178 G179 G182N176-N178 PolarHBondContact O-N 3.32Å; N176-G179 WeakPolarHBondContact O-CA 3.47Å; N176-G179 PolarHBondContact O-N 3.4Å; N176-G182 WeakPolarHBondContact O-CA 3.47Å
177H90.1Very high95.9Very high69 Ų6931.9 Ų31.932%0.31917%0.166SC..THydrogen-bonded Turntrans-54.8-23.9-178.563.9-84.5000114.2A165A165-H177 HydrophobicContact CB-CB 4.33Å
178N92.5Very high96Very high96 Ų9632.2 Ų32.251%0.51317%0.168SC..THydrogen-bonded Turntrans-89.13.1175.9-64.6-37.5000114.3N176 M197N176-N178 PolarHBondContact O-N 3.32Å; N178-M197 WeakPolarHBondContact O-CB 3.45Å; N178-M197 VanDerWaalsContact O-CE 3.31Å; N178-M197 WeakPolarHBondContact O-CE 3.13Å; N178-M197 WeakPolarHBondContact O-CG 3.28Å
179G94.7Very high95.9Very high19 Ų1935.9 Ų35.920%0.19619%0.188CC..SBendtrans-80.6160.7179.300000113N176 A181 G182N176-G179 WeakPolarHBondContact O-CA 3.47Å; N176-G179 PolarHBondContact O-N 3.4Å; G179-A181 VanDerWaalsContact C-N 3.26Å; G179-A181 PolarHBondContact O-N 2.79Å; G179-G182 PolarHBondContact O-N 3.26Å
180K96.2Very high95.9Very high128 Ų12836.1 Ų36.156%0.55719%0.19SC*.THydrogen-bonded Turntrans-57.8-37.8179.4-174.8180179.6-178.60112.2N189 G190K180-N189 HydrophobicContact CG-CB 4.49Å; K180-N189 CarbonylContact O-C 3.58Å; K180-N189 WeakPolarHBondContact O-CA 3.46Å; K180-G190 PolarHBondContact O-N 3.13Å
181A97.1Very high95.8Very high1 Ų141.6 Ų41.61%0.00821%0.208CC..THydrogen-bonded Turntrans-109.634.817300000111.6V175 G179 C183 R207 I219 H220V175-A181 VanDerWaalsContact CG2-C 3.46Å; V175-A181 HydrophobicContact CG2-CB 4.31Å; V175-A181 WeakPolarHBondContact CG2-O 3.48Å; G179-A181 VanDerWaalsContact C-N 3.26Å; G179-A181 PolarHBondContact O-N 2.79Å; A181-C183 VanDerWaalsContact C-N 3.26Å; A181-C183 PolarHBondContact O-N 2.68Å; A181-R207 PolarHBondContact O-NH2 2.95Å; A181-I219 HydrophobicContact CB-CB 4.49Å; A181-I219 HydrophobicContact CB-CD1 3.83Å; A181-I219 HydrophobicContact CB-CG1 3.71Å; A181-H220 HydrophobicContact CB-CB 4Å; A181-H220 PolarHBondContact O-ND1 2.97Å
182G96.2Very high95.6Very high4 Ų451 Ų514%0.04124%0.244CC..  trans-74.2-3.1-173.800000116.3N176 G179 D184N176-G182 WeakPolarHBondContact O-CA 3.47Å; G179-G182 PolarHBondContact O-N 3.26Å; G182-D184 PolarHBondContact O-N 2.94Å
183C95.4Very high95.4Very high26 Ų2654.9 Ų54.918%0.17627%0.265CS..  trans-70.4120.4177.3-174.10000110.4A181 R185 C186 V188 F199 R207A181-C183 VanDerWaalsContact C-N 3.26Å; A181-C183 PolarHBondContact O-N 2.68Å; C183-R185 VanDerWaalsContact C-N 3.27Å; C183-R185 PolarHBondContact O-N 3.08Å; C183-C186 PolarHBondContact SG-N 3.23Å; C183-V188 HydrophobicContact CB-CG1 3.45Å; C183-V188 VanDerWaalsContact CB-CG1 3.45Å; C183-F199 HydrophobicContact CB-CD1 4.13Å; C183-F199 HydrophobicContact CB-CE1 3.96Å; C183-F199 HydrophobicContact CB-CZ 4.25Å; C183-R207 PolarHBondContact O-NE 2.76Å; C183-R207 PolarHBondContact O-NH2 2.96Å; C183-R207 VanDerWaalsContact O-NH2 3.11Å
184D93.9Very high95.1Very high14 Ų1460.5 Ų60.58%0.07530%0.297CS..SBendtrans-70-20.3178.3-88.3-38.5000114R168 R172 G182 L240R168-D184 IonicContact CZ-OD2 3.86Å; R168-D184 VanDerWaalsContact CZ-OD2 3.28Å; R168-D184 IonicContact NE-OD2 3.37Å; R168-D184 PolarHBondContact NE-OD2 2.83Å; R168-D184 IonicContact NH2-OD2 3.57Å; R168-D184 PolarHBondContact NH2-OD2 2.84Å; R172-D184 IonicContact NH1-OD1 2.83Å; R172-D184 PolarHBondContact NH1-OD1 3.4Å; G182-D184 PolarHBondContact O-N 2.94Å; D184-L240 HydrophobicContact CB-CD2 3.99Å
185R95.3Very high94.7Very high69 Ų6963.3 Ų63.326%0.2633%0.328SS..SBendtrans-111.8-29.6-169.8-62-62.7177.2-163.8-12.4114C183 L206 R207 I235 F238 L240C183-R185 VanDerWaalsContact C-N 3.27Å; C183-R185 PolarHBondContact O-N 3.08Å; R185-L206 CarbonylContact O-C 3.52Å; R185-L206 WeakPolarHBondContact O-CA 3.18Å; R185-R207 PolarHBondContact O-N 3.05Å; R185-I235 PolarHBondContact NH1-O 3.41Å; R185-F238 PolarHBondContact NH2-O 2.82Å; R185-L240 HydrophobicContact CG-CD1 4.08Å
186C96.2Very high94.4Very high27 Ų2769.5 Ų69.518%0.18235%0.353CS..BIsolated β-bridgetrans-128.6151.2-172.1-54.10000111.8C183 V188 T205 R207C183-C186 PolarHBondContact SG-N 3.23Å; C186-V188 VanDerWaalsContact C-N 3.28Å; C186-V188 HydrophobicContact CB-CG1 4.14Å; C186-V188 PolarHBondContact O-N 2.79Å; C186-T205 CarbonylContact C-O 3.55Å; C186-T205 WeakPolarHBondContact CA-O 3.3Å; C186-R207 PolarHBondContact O-NE 3.37Å; C186-R207 PolarHBondContact O-NH2 3.17Å
187V97.2Very high94.3Very high48 Ų4868.5 Ų68.529%0.29135%0.346SS..  trans-81.578169.9-172.90000108.3T205 R207 Q217V187-T205 PolarHBondContact N-O 2.89Å; V187-R207 HydrophobicContact CG2-CG 4.17Å; V187-Q217 HydrophobicContact CG1-CB 4.18Å; V187-Q217 HydrophobicContact CG1-CG 4.22Å
188V96.8Very high94.5Very high6 Ų667.5 Ų67.54%0.03634%0.343CS..  trans-126.3143.417957.20000110.4C183 C186 F199 Y204C183-V188 HydrophobicContact CB-CG1 3.45Å; C183-V188 VanDerWaalsContact CB-CG1 3.45Å; C186-V188 VanDerWaalsContact C-N 3.28Å; C186-V188 HydrophobicContact CB-CG1 4.14Å; C186-V188 PolarHBondContact O-N 2.79Å; V188-F199 HydrophobicContact CG1-CB 4.43Å; V188-F199 HydrophobicContact CG1-CD1 3.59Å; V188-F199 HydrophobicContact CG1-CE1 4.26Å; V188-F199 HydrophobicContact CG1-CG 4.28Å; V188-F199 HydrophobicContact CG2-CD1 4.25Å; V188-Y204 HydrophobicContact CB-CD1 3.71Å; V188-Y204 HydrophobicContact CB-CD2 4.17Å; V188-Y204 HydrophobicContact CB-CE1 3.94Å; V188-Y204 HydrophobicContact CB-CE2 4.36Å; V188-Y204 HydrophobicContact CB-CG 3.84Å; V188-Y204 HydrophobicContact CG2-CD1 3.8Å; V188-Y204 HydrophobicContact CG2-CD2 4.19Å; V188-Y204 HydrophobicContact CG2-CE1 3.46Å; V188-Y204 VanDerWaalsContact CG2-CE1 3.46Å; V188-Y204 HydrophobicContact CG2-CE2 3.87Å; V188-Y204 HydrophobicContact CG2-CG 4.15Å; V188-Y204 VanDerWaalsContact CG2-CZ 3.49Å
189N96.6Very high94.6Very high82 Ų8266.1 Ų66.144%0.43933%0.333SS..  trans-95.1115.4168.7-70.4-25.2000109.2K180 Q217 I219K180-N189 HydrophobicContact CG-CB 4.49Å; K180-N189 CarbonylContact O-C 3.58Å; K180-N189 WeakPolarHBondContact O-CA 3.46Å; N189-Q217 PolarHBondContact OD1-NE2 3.27Å; N189-I219 WeakPolarHBondContact OD1-CD1 3.39Å
190G95.7Very high94.5Very high7 Ų767.1 Ų67.17%0.07234%0.336CS..  trans-67.5157.8167.500000112.1K180 M197 I198K180-G190 PolarHBondContact O-N 3.13Å; G190-M197 VanDerWaalsContact C-SD 3.55Å; G190-I198 CarbonylContact C-O 3.49Å; G190-I198 WeakPolarHBondContact CA-O 3.05Å
191R95.1Very high94.3Very high151 Ų15169 Ų6957%0.5735%0.352SS*.EExtended strand (participates in β ladder)trans-127.8153.7172.764-179.4-179174.11.4109.2I198R191-I198 HydrophobicContact CG-CD1 3.98Å; R191-I198 HydrophobicContact CG-CG1 3.71Å; R191-I198 PolarHBondContact N-O 2.93Å; R191-I198 WeakPolarHBondContact O-CG1 3.42Å; R191-I198 PolarHBondContact O-N 2.82Å
192R94.3Very high94.2Very high198 Ų19871.6 Ų71.675%0.74738%0.379SS*.EExtended strand (participates in β ladder)trans-81.8130.9171.9-78.7-172.2165.1-174.3-3.9110.4K196 M197R192-K196 CarbonylContact C-O 3.5Å; R192-K196 VanDerWaalsContact CA-O 3.27Å; R192-K196 WeakPolarHBondContact CA-O 3.39Å; R192-M197 HydrophobicContact CG-CE 4.04Å
193L92.7Very high94.2Very high86 Ų8680.9 Ų80.945%0.4542%0.421SS..EExtended strand (participates in β ladder)trans-133.3125.3170.1-17668.4000107.2G195 K196 I198L193-G195 VanDerWaalsContact C-N 3.25Å; L193-G195 PolarHBondContact O-N 3.17Å; L193-G195 VanDerWaalsContact O-N 3.17Å; L193-K196 PolarHBondContact N-O 2.76Å; L193-K196 PolarHBondContact O-N 3.16Å; L193-I198 HydrophobicContact CB-CD1 3.63Å; L193-I198 HydrophobicContact CB-CG1 3.9Å; L193-I198 HydrophobicContact CB-CG2 4.36Å; L193-I198 HydrophobicContact CD2-CD1 3.71Å; L193-I198 HydrophobicContact CG-CD1 4.3Å
194D92Very high94.2Very high151 Ų15183.7 Ų83.781%0.80743%0.428SS*.THydrogen-bonded Turntrans49.243.9179.5-54.3-30.5000114K196D194-K196 PolarHBondContact O-N 3.19Å
195G89.6Confident94.4Very high67 Ų6788.1 Ų88.169%0.69146%0.456SS*.THydrogen-bonded Turntrans76.2-6.9-179.700000115.3L193L193-G195 VanDerWaalsContact C-N 3.25Å; L193-G195 PolarHBondContact O-N 3.17Å; L193-G195 VanDerWaalsContact O-N 3.17Å
196K89.8Confident94.5Very high150 Ų15090.4 Ų90.465%0.65247%0.473SS*.EExtended strand (participates in β ladder)trans-100.2145.2179.1-61.8-176.1-179.7-175.50111.2R192 L193 D194R192-K196 CarbonylContact C-O 3.5Å; R192-K196 VanDerWaalsContact CA-O 3.27Å; R192-K196 WeakPolarHBondContact CA-O 3.39Å; L193-K196 PolarHBondContact N-O 2.76Å; L193-K196 PolarHBondContact O-N 3.16Å; D194-K196 PolarHBondContact O-N 3.19Å
197M93.7Very high94.6Very high39 Ų3989.7 Ų89.719%0.19247%0.466CS..EExtended strand (participates in β ladder)trans-76.7126.3167.9-17557.366.200108.7N178 G190 R192 F199N178-M197 WeakPolarHBondContact O-CB 3.45Å; N178-M197 VanDerWaalsContact O-CE 3.31Å; N178-M197 WeakPolarHBondContact O-CE 3.13Å; N178-M197 WeakPolarHBondContact O-CG 3.28Å; G190-M197 VanDerWaalsContact C-SD 3.55Å; R192-M197 HydrophobicContact CG-CE 4.04Å; M197-F199 HydrophobicContact CG-CE2 4.37Å; M197-F199 HydrophobicContact CG-CZ 4.25Å
198I93.3Very high94.6Very high49 Ų4990.8 Ų90.825%0.25147%0.473SS..EExtended strand (participates in β ladder)trans-122.9142.7175.161.9158.8000110.4G190 R191 L193G190-I198 CarbonylContact C-O 3.49Å; G190-I198 WeakPolarHBondContact CA-O 3.05Å; R191-I198 HydrophobicContact CG-CD1 3.98Å; R191-I198 HydrophobicContact CG-CG1 3.71Å; R191-I198 PolarHBondContact N-O 2.93Å; R191-I198 WeakPolarHBondContact O-CG1 3.42Å; R191-I198 PolarHBondContact O-N 2.82Å; L193-I198 HydrophobicContact CB-CD1 3.63Å; L193-I198 HydrophobicContact CB-CG1 3.9Å; L193-I198 HydrophobicContact CB-CG2 4.36Å; L193-I198 HydrophobicContact CD2-CD1 3.71Å; L193-I198 HydrophobicContact CG-CD1 4.3Å
199F94.1Very high94.7Very high67 Ų6792.3 Ų92.329%0.29448%0.481SS..PPolyproline II helixtrans-100.8117.8169.6-63-77.4000107.7C183 V188 M197C183-F199 HydrophobicContact CB-CD1 4.13Å; C183-F199 HydrophobicContact CB-CE1 3.96Å; C183-F199 HydrophobicContact CB-CZ 4.25Å; V188-F199 HydrophobicContact CG1-CB 4.43Å; V188-F199 HydrophobicContact CG1-CD1 3.59Å; V188-F199 HydrophobicContact CG1-CE1 4.26Å; V188-F199 HydrophobicContact CG1-CG 4.28Å; V188-F199 HydrophobicContact CG2-CD1 4.25Å; M197-F199 HydrophobicContact CG-CE2 4.37Å; M197-F199 HydrophobicContact CG-CZ 4.25Å
200P92.7Very high94.8Very high40 Ų4094 Ų9426%0.2649%0.486SS..PPolyproline II helixtrans-60.8150.7-178.5-17.929.2000111.4Y204P200-Y204 WeakPolarHBondContact O-CE2 3.34Å; P200-Y204 PolarHBondContact O-OH 2.83Å; P200-Y204 VanDerWaalsContact O-OH 3.13Å
201N92.8Very high94.9Very high168 Ų16894.2 Ų94.290%0.89849%0.487SS*.SBendtrans-69.9140.1170.3-71-11.2000109.7
202G94.1Very high95.1Very high55 Ų5587.1 Ų87.157%0.56746%0.46SS*.SBendtrans166.4178.2179.500000111.7Y204G202-Y204 WeakPolarHBondContact O-CD2 3.17Å
203E96.6Very high95.2Very high198 Ų19880.8 Ų80.893%0.92544%0.436SS*.  trans-89122.3170.7-66-177.1175.500109
204Y96.4Very high95.5Very high86 Ų8684.5 Ų84.534%0.33745%0.445SS..  trans-128.9147.1-179.3-60.3-75.5000110V188 P200 G202 L206V188-Y204 HydrophobicContact CB-CD1 3.71Å; V188-Y204 HydrophobicContact CB-CD2 4.17Å; V188-Y204 HydrophobicContact CB-CE1 3.94Å; V188-Y204 HydrophobicContact CB-CE2 4.36Å; V188-Y204 HydrophobicContact CB-CG 3.84Å; V188-Y204 HydrophobicContact CG2-CD1 3.8Å; V188-Y204 HydrophobicContact CG2-CD2 4.19Å; V188-Y204 HydrophobicContact CG2-CE1 3.46Å; V188-Y204 VanDerWaalsContact CG2-CE1 3.46Å; V188-Y204 HydrophobicContact CG2-CE2 3.87Å; V188-Y204 HydrophobicContact CG2-CG 4.15Å; V188-Y204 VanDerWaalsContact CG2-CZ 3.49Å; P200-Y204 WeakPolarHBondContact O-CE2 3.34Å; P200-Y204 PolarHBondContact O-OH 2.83Å; P200-Y204 VanDerWaalsContact O-OH 3.13Å; G202-Y204 WeakPolarHBondContact O-CD2 3.17Å; Y204-L206 PolarHBondContact O-N 3.43Å
205T97.7Very high95.8Very high107 Ų10779.6 Ų79.666%0.65642%0.417SS*.PPolyproline II helixtrans-60.1128.5172.5-530000109.9C186 V187C186-T205 CarbonylContact C-O 3.55Å; C186-T205 WeakPolarHBondContact CA-O 3.3Å; V187-T205 PolarHBondContact N-O 2.89Å
206L97.9Very high96.1Very high117 Ų11780.7 Ų80.761%0.61341%0.411SS*.BIsolated β-bridgetrans-70.4142172.9-63.6-179.5000110.5R185 Y204R185-L206 CarbonylContact O-C 3.52Å; R185-L206 WeakPolarHBondContact O-CA 3.18Å; Y204-L206 PolarHBondContact O-N 3.43Å
207R97.5Very high96.5Very high11 Ų1174.4 Ų74.44%0.04238%0.384CS..PPolyproline II helixtrans-67.4136.9167.8-63.8-171.6-171.5-71.7-4.1108.9A181 C183 R185 C186 V187 Q217 H220 I235A181-R207 PolarHBondContact O-NH2 2.95Å; C183-R207 PolarHBondContact O-NE 2.76Å; C183-R207 PolarHBondContact O-NH2 2.96Å; C183-R207 VanDerWaalsContact O-NH2 3.11Å; R185-R207 PolarHBondContact O-N 3.05Å; C186-R207 PolarHBondContact O-NE 3.37Å; C186-R207 PolarHBondContact O-NH2 3.17Å; V187-R207 HydrophobicContact CG2-CG 4.17Å; R207-Q217 VanDerWaalsContact CZ-OE1 3.24Å; R207-H220 VanDerWaalsContact CZ-CD2 3.4Å; R207-H220 PolarHBondContact NE-NE2 3.15Å; R207-H220 PolarHBondContact NH1-CD2 3.35Å; R207-H220 VanDerWaalsContact NH2-CG 3.31Å; R207-H220 PolarHBondContact NH2-ND1 3.11Å; R207-I235 HydrophobicContact CB-CD1 3.7Å; R207-I235 HydrophobicContact CB-CG1 4.12Å
208T98.1Very high96.7Very high71 Ų7181.4 Ų81.444%0.43641%0.409SS..  trans-116.3159.617260.80000109.6H210 S211 F212T208-H210 PolarHBondContact O-N 3.02Å; T208-S211 PolarHBondContact N-OG 3.46Å; T208-S211 PolarHBondContact O-N 3.24Å; T208-S211 VanDerWaalsContact O-N 3.08Å; T208-S211 PolarHBondContact O-OG 3.27Å; T208-S211 WeakPolarHBondContact OG1-CB 3.46Å; T208-S211 PolarHBondContact OG1-N 2.94Å; T208-S211 PolarHBondContact OG1-OG 3.09Å; T208-F212 WeakPolarHBondContact O-CB 3.33Å; T208-F212 PolarHBondContact O-N 2.86Å
209D98.2Very high96.9Very high39 Ų3981.6 Ų81.621%0.20941%0.41CS..Hα-helixtrans-50.9-43.9171.3-178.163000112.2F212 R213 D233 M234D209-F212 WeakPolarHBondContact O-CB 3.37Å; D209-F212 PolarHBondContact O-N 3.49Å; D209-R213 WeakPolarHBondContact O-CG 3.37Å; D209-R213 PolarHBondContact O-N 3.2Å; D209-R213 IonicContact OD1-CZ 3.12Å; D209-R213 IonicContact OD1-NE 2.63Å; D209-R213 PolarHBondContact OD1-NE 2.6Å; D209-R213 IonicContact OD1-NH2 3.82Å; D209-R213 VanDerWaalsContact OD2-CD 3.25Å; D209-R213 WeakPolarHBondContact OD2-CD 3.48Å; D209-R213 IonicContact OD2-CZ 2.84Å; D209-R213 IonicContact OD2-NE 2.95Å; D209-R213 PolarHBondContact OD2-NE 3.16Å; D209-D233 HydrophobicContact CB-CB 4.28Å; D209-D233 WeakPolarHBondContact OD1-CA 3.48Å; D209-M234 PolarHBondContact OD1-N 3.08Å
210H98.3Very high97.1Very high116 Ų11678.4 Ų78.454%0.53740%0.396SS..Hα-helixtrans-58.3-53.6174.1-176.9-72.2000111.7T208 F212 R213 Y214T208-H210 PolarHBondContact O-N 3.02Å; H210-F212 PolarHBondContact O-N 3.37Å; H210-F212 VanDerWaalsContact O-N 3.16Å; H210-R213 PolarHBondContact O-N 3.05Å; H210-Y214 AromaticContact CD2-CD2 3.72Å; H210-Y214 AromaticContact CD2-CE2 3.5Å; H210-Y214 AromaticContact CE1-CD2 3.38Å; H210-Y214 WeakPolarHBondContact CE1-CD2 3.44Å; H210-Y214 AromaticContact CE1-CE2 3.7Å; H210-Y214 AromaticContact CG-CD2 3.8Å; H210-Y214 AromaticContact ND1-CD2 3.59Å; H210-Y214 AromaticContact NE2-CD2 3.48Å; H210-Y214 WeakPolarHBondContact NE2-CD2 3.4Å; H210-Y214 AromaticContact NE2-CE2 3.28Å; H210-Y214 VanDerWaalsContact NE2-CE2 3.28Å; H210-Y214 WeakPolarHBondContact NE2-CE2 3.34Å; H210-Y214 WeakPolarHBondContact O-CB 3.25Å; H210-Y214 VanDerWaalsContact O-CD2 3.28Å; H210-Y214 WeakPolarHBondContact O-CD2 3.21Å; H210-Y214 PolarHBondContact O-N 3.11Å
211S97.9Very high97.3Very high13 Ų1377.3 Ų77.39%0.09139%0.388CS..Hα-helixtrans-58.7-31.9-179.771.50000112.9T208 Q215 T216T208-S211 PolarHBondContact N-OG 3.46Å; T208-S211 PolarHBondContact O-N 3.24Å; T208-S211 VanDerWaalsContact O-N 3.08Å; T208-S211 PolarHBondContact O-OG 3.27Å; T208-S211 WeakPolarHBondContact OG1-CB 3.46Å; T208-S211 PolarHBondContact OG1-N 2.94Å; T208-S211 PolarHBondContact OG1-OG 3.09Å; S211-Q215 PolarHBondContact O-N 2.97Å; S211-T216 WeakPolarHBondContact CB-OG1 3.49Å; S211-T216 PolarHBondContact O-N 3.2Å; S211-T216 PolarHBondContact O-OG1 3.42Å
212F98.4Very high97.5Very high1 Ų176 Ų760%0.00438%0.376CS..Hα-helixtrans-72.8-53179.6-171.2-83.7000111.7R172 T174 T208 D209 H210 Y214 Q215 H221 E228 M234 I235R172-F212 HydrophobicContact CB-CZ 4.07Å; R172-F212 VanDerWaalsContact NH2-CD2 3.27Å; T174-F212 HydrophobicContact CG2-CE2 3.47Å; T174-F212 VanDerWaalsContact CG2-CE2 3.47Å; T174-F212 HydrophobicContact CG2-CZ 3.75Å; T208-F212 WeakPolarHBondContact O-CB 3.33Å; T208-F212 PolarHBondContact O-N 2.86Å; D209-F212 WeakPolarHBondContact O-CB 3.37Å; D209-F212 PolarHBondContact O-N 3.49Å; H210-F212 PolarHBondContact O-N 3.37Å; H210-F212 VanDerWaalsContact O-N 3.16Å; F212-Y214 VanDerWaalsContact C-N 3.32Å; F212-Y214 PolarHBondContact O-N 3.22Å; F212-Q215 WeakPolarHBondContact O-CA 3.4Å; F212-Q215 WeakPolarHBondContact O-CG 3.18Å; F212-Q215 PolarHBondContact O-N 2.8Å; F212-H221 AromaticContact CD2-CE1 3.62Å; F212-H221 AromaticContact CE2-CE1 3.7Å; F212-H221 AromaticContact CG-CE1 3.91Å; F212-H221 PolarHBondContact O-CE1 2.91Å; F212-E228 HydrophobicContact CE1-CG 4.27Å; F212-M234 HydrophobicContact CB-CB 4.33Å; F212-M234 HydrophobicContact CD1-CB 3.49Å; F212-M234 VanDerWaalsContact CD1-CB 3.49Å; F212-M234 HydrophobicContact CD1-CE 4.4Å; F212-M234 HydrophobicContact CD1-CG 3.85Å; F212-M234 HydrophobicContact CE1-CB 3.96Å; F212-M234 HydrophobicContact CE1-CE 3.76Å; F212-M234 HydrophobicContact CE1-CG 4.18Å; F212-M234 HydrophobicContact CG-CB 3.88Å; F212-M234 HydrophobicContact CZ-CE 4.33Å; F212-I235 HydrophobicContact CB-CD1 4.07Å; F212-I235 HydrophobicContact CD2-CD1 3.86Å; F212-I235 HydrophobicContact CG-CD1 4.24Å
213R97.9Very high97.6Very high66 Ų6674.4 Ų74.425%0.24936%0.36CS..Hα-helixtrans-64.6-35-178.1-69.8170.5176.8-88.60112.8D209 H210 Q215 E228 L230 I232 M234D209-R213 WeakPolarHBondContact O-CG 3.37Å; D209-R213 PolarHBondContact O-N 3.2Å; D209-R213 IonicContact OD1-CZ 3.12Å; D209-R213 IonicContact OD1-NE 2.63Å; D209-R213 PolarHBondContact OD1-NE 2.6Å; D209-R213 IonicContact OD1-NH2 3.82Å; D209-R213 VanDerWaalsContact OD2-CD 3.25Å; D209-R213 WeakPolarHBondContact OD2-CD 3.48Å; D209-R213 IonicContact OD2-CZ 2.84Å; D209-R213 IonicContact OD2-NE 2.95Å; D209-R213 PolarHBondContact OD2-NE 3.16Å; H210-R213 PolarHBondContact O-N 3.05Å; R213-Q215 VanDerWaalsContact C-N 3.27Å; R213-E228 PolarHBondContact NH1-O 3.38Å; R213-L230 PolarHBondContact NH2-O 3.2Å; R213-I232 PolarHBondContact NH2-O 3.44Å; R213-M234 HydrophobicContact CG-CG 4.45Å
214Y98Very high97.7Very high163 Ų16370 Ų7064%0.63934%0.339SS*.THydrogen-bonded Turntrans-862.1173.8-72.5-83.8000113.3H210 F212 T216H210-Y214 AromaticContact CD2-CD2 3.72Å; H210-Y214 AromaticContact CD2-CE2 3.5Å; H210-Y214 AromaticContact CE1-CD2 3.38Å; H210-Y214 WeakPolarHBondContact CE1-CD2 3.44Å; H210-Y214 AromaticContact CE1-CE2 3.7Å; H210-Y214 AromaticContact CG-CD2 3.8Å; H210-Y214 AromaticContact ND1-CD2 3.59Å; H210-Y214 AromaticContact NE2-CD2 3.48Å; H210-Y214 WeakPolarHBondContact NE2-CD2 3.4Å; H210-Y214 AromaticContact NE2-CE2 3.28Å; H210-Y214 VanDerWaalsContact NE2-CE2 3.28Å; H210-Y214 WeakPolarHBondContact NE2-CE2 3.34Å; H210-Y214 WeakPolarHBondContact O-CB 3.25Å; H210-Y214 VanDerWaalsContact O-CD2 3.28Å; H210-Y214 WeakPolarHBondContact O-CD2 3.21Å; H210-Y214 PolarHBondContact O-N 3.11Å; F212-Y214 VanDerWaalsContact C-N 3.32Å; F212-Y214 PolarHBondContact O-N 3.22Å; Y214-T216 VanDerWaalsContact C-N 3.26Å; Y214-T216 PolarHBondContact O-N 3.39Å; Y214-T216 VanDerWaalsContact O-N 3.16Å
215Q97.9Very high97.8Very high48 Ų4866 Ų6622%0.22433%0.325CS..THydrogen-bonded Turntrans48.143.3177.8-56.8-170.1-17.600114.1S211 F212 R213 Q217 Y218 H221 G223 H224S211-Q215 PolarHBondContact O-N 2.97Å; F212-Q215 WeakPolarHBondContact O-CA 3.4Å; F212-Q215 WeakPolarHBondContact O-CG 3.18Å; F212-Q215 PolarHBondContact O-N 2.8Å; R213-Q215 VanDerWaalsContact C-N 3.27Å; Q215-Q217 CarbonylContact O-C 3.58Å; Q215-Q217 PolarHBondContact O-N 3.13Å; Q215-Y218 PolarHBondContact O-N 2.83Å; Q215-H221 WeakPolarHBondContact CA-NE2 3.32Å; Q215-H221 HydrophobicContact CB-CB 4.38Å; Q215-H221 HydrophobicContact CG-CB 4.11Å; Q215-G223 PolarHBondContact NE2-O 2.87Å; Q215-H224 PolarHBondContact NE2-CE1 2.96Å; Q215-H224 VanDerWaalsContact NE2-CE1 3.27Å; Q215-H224 PolarHBondContact NE2-ND1 3.08Å; Q215-H224 PolarHBondContact NE2-NE2 2.89Å
216T97.7Very high97.8Very high90 Ų9063.2 Ų63.255%0.55231%0.305SS*.SBendtrans-61.4-24-168.8600000113.4S211 Y214S211-T216 WeakPolarHBondContact CB-OG1 3.49Å; S211-T216 PolarHBondContact O-N 3.2Å; S211-T216 PolarHBondContact O-OG1 3.42Å; Y214-T216 VanDerWaalsContact C-N 3.26Å; Y214-T216 PolarHBondContact O-N 3.39Å; Y214-T216 VanDerWaalsContact O-N 3.16Å
217Q97.4Very high97.8Very high19 Ų1957.7 Ų57.79%0.08928%0.276CS..SBendtrans-10881.4167.6-170.9-171.822.700109.3V187 N189 R207 Q215 I219 H220 H221V187-Q217 HydrophobicContact CG1-CB 4.18Å; V187-Q217 HydrophobicContact CG1-CG 4.22Å; N189-Q217 PolarHBondContact OD1-NE2 3.27Å; R207-Q217 VanDerWaalsContact CZ-OE1 3.24Å; Q215-Q217 CarbonylContact O-C 3.58Å; Q215-Q217 PolarHBondContact O-N 3.13Å; Q217-I219 HydrophobicContact CG-CG1 3.88Å; Q217-I219 PolarHBondContact O-N 2.74Å; Q217-H220 HydrophobicContact CB-CB 4.41Å; Q217-H220 HydrophobicContact CG-CB 4.43Å; Q217-H220 VanDerWaalsContact O-CB 3.25Å; Q217-H220 WeakPolarHBondContact O-CB 3.17Å; Q217-H220 PolarHBondContact O-N 3.5Å; Q217-H221 PolarHBondContact O-CD2 3.23Å
218Y97.4Very high97.8Very high185 Ų18558.3 Ų58.373%0.72528%0.28SS*.G310 helixtrans-49.3-38.6-171.978.8-84.4000114.6Q215 H220 H221Q215-Y218 PolarHBondContact O-N 2.83Å; Y218-H220 PolarHBondContact O-N 2.89Å; Y218-H220 VanDerWaalsContact O-N 3.09Å; Y218-H221 PolarHBondContact O-N 2.97Å
219I97.5Very high97.8Very high53 Ų5357.9 Ų57.927%0.27228%0.279SS..G310 helixtrans-66.3-8.5178.359167.5000114.9V175 A181 N189 Q217V175-I219 WeakPolarHBondContact CG1-O 3.36Å; A181-I219 HydrophobicContact CB-CB 4.49Å; A181-I219 HydrophobicContact CB-CD1 3.83Å; A181-I219 HydrophobicContact CB-CG1 3.71Å; N189-I219 WeakPolarHBondContact OD1-CD1 3.39Å; Q217-I219 HydrophobicContact CG-CG1 3.88Å; Q217-I219 PolarHBondContact O-N 2.74Å
220H97.9Very high97.7Very high0 Ų056.2 Ų56.20%027%0.27CS..G310 helixtrans-84.5-22.5172.7178.661.9000111.9T174 V175 A181 R207 Q217 Y218T174-H220 CarbonylContact C-O 3.48Å; T174-H220 WeakPolarHBondContact CA-O 3.4Å; T174-H220 VanDerWaalsContact CB-O 3.32Å; T174-H220 WeakPolarHBondContact CB-O 3.27Å; T174-H220 WeakPolarHBondContact CG2-NE2 3.38Å; V175-H220 PolarHBondContact N-O 2.93Å; A181-H220 HydrophobicContact CB-CB 4Å; A181-H220 PolarHBondContact O-ND1 2.97Å; R207-H220 VanDerWaalsContact CZ-CD2 3.4Å; R207-H220 PolarHBondContact NE-NE2 3.15Å; R207-H220 PolarHBondContact NH1-CD2 3.35Å; R207-H220 VanDerWaalsContact NH2-CG 3.31Å; R207-H220 PolarHBondContact NH2-ND1 3.11Å; Q217-H220 HydrophobicContact CB-CB 4.41Å; Q217-H220 HydrophobicContact CG-CB 4.43Å; Q217-H220 VanDerWaalsContact O-CB 3.25Å; Q217-H220 WeakPolarHBondContact O-CB 3.17Å; Q217-H220 PolarHBondContact O-N 3.5Å; Y218-H220 PolarHBondContact O-N 2.89Å; Y218-H220 VanDerWaalsContact O-N 3.09Å
221H98.1Very high97.5Very high18 Ų1855.6 Ų55.68%0.08328%0.277CS..BIsolated β-bridgetrans-106.9138.2-169.5-61.4-88.5000111.1F212 Q215 Q217 Y218F212-H221 AromaticContact CD2-CE1 3.62Å; F212-H221 AromaticContact CE2-CE1 3.7Å; F212-H221 AromaticContact CG-CE1 3.91Å; F212-H221 PolarHBondContact O-CE1 2.91Å; Q215-H221 WeakPolarHBondContact CA-NE2 3.32Å; Q215-H221 HydrophobicContact CB-CB 4.38Å; Q215-H221 HydrophobicContact CG-CB 4.11Å; Q217-H221 PolarHBondContact O-CD2 3.23Å; Y218-H221 PolarHBondContact O-N 2.97Å
222E96.8Very high97.4Very high139 Ų13956 Ų5665%0.6528%0.278SS*.SBendtrans-111.21.4176.3-67.5-71.3159.700111.4Y173 V175Y173-E222 PolarHBondContact O-N 3.35Å; V175-E222 HydrophobicContact CG1-CG 4.11Å; V175-E222 WeakPolarHBondContact CG1-OE1 3Å
223G97Very high97.4Very high23 Ų2358.8 Ų58.824%0.23729%0.292CS..SBendtrans156.5-165.7-178.200000111.3Q215Q215-G223 PolarHBondContact NE2-O 2.87Å
224H97.8Very high97.4Very high104 Ų10455.6 Ų55.648%0.48128%0.28SS..  trans-107.3133.2173.4-72.8-80.9000110.9N127 Q215 E228N127-H224 PolarHBondContact ND2-O 3.41Å; Q215-H224 PolarHBondContact NE2-CE1 2.96Å; Q215-H224 VanDerWaalsContact NE2-CE1 3.27Å; Q215-H224 PolarHBondContact NE2-ND1 3.08Å; Q215-H224 PolarHBondContact NE2-NE2 2.89Å; H224-E228 WeakPolarHBondContact CA-OE1 3.33Å; H224-E228 IonicContact CE1-OE2 3.76Å; H224-E228 IonicContact CG-OE1 2.9Å; H224-E228 IonicContact ND1-OE1 3.94Å; H224-E228 PolarHBondContact ND1-OE1 3.36Å; H224-E228 IonicContact ND1-OE2 3.85Å; H224-E228 PolarHBondContact ND1-OE2 2.7Å
225S98.1Very high97.4Very high4 Ų448.5 Ų48.53%0.02825%0.253CS..  trans-78.9139172.2-176.90000110.1V171 F227 E228V171-S225 WeakPolarHBondContact O-CB 3.44Å; V171-S225 PolarHBondContact O-OG 3.16Å; S225-F227 PolarHBondContact O-N 3.06Å; S225-F227 VanDerWaalsContact O-N 3.14Å; S225-F227 PolarHBondContact OG-N 2.81Å; S225-E228 PolarHBondContact N-OE1 2.81Å; S225-E228 VanDerWaalsContact O-CB 3.27Å; S225-E228 WeakPolarHBondContact O-CB 3.26Å; S225-E228 WeakPolarHBondContact O-CG 3.47Å; S225-E228 PolarHBondContact O-N 3.19Å
226I98.1Very high97.4Very high48 Ų4850 Ų5025%0.24627%0.269CS..G310 helixtrans-60.9-22.6173-168.4154000112.2N127 A131 V134 E228 S229N127-I226 HydrophobicContact CB-CB 4.28Å; N127-I226 HydrophobicContact CB-CG2 4.32Å; N127-I226 WeakPolarHBondContact OD1-CG2 3.32Å; N127-I226 PolarHBondContact OD1-N 3.18Å; A131-I226 HydrophobicContact CB-CD1 3.91Å; V134-I226 HydrophobicContact CB-CG1 4.34Å; V134-I226 HydrophobicContact CB-CG2 4.49Å; V134-I226 HydrophobicContact CG1-CG1 4.03Å; V134-I226 HydrophobicContact CG2-CG2 4.05Å; I226-E228 PolarHBondContact O-N 3.44Å; I226-S229 VanDerWaalsContact O-CB 3.32Å; I226-S229 WeakPolarHBondContact O-CB 3.42Å; I226-S229 PolarHBondContact O-N 2.83Å; I226-S229 PolarHBondContact O-OG 3.35Å
227F98.2Very high97.4Very high0 Ų046.2 Ų46.20%025%0.246CC..G310 helixtrans-64.3-22.6172.5-75.4-88.7000113.1I83 V134 L158 V161 V171 S225 S229 L230 I232 M234 F238I83-F227 HydrophobicContact CD1-CE2 4.14Å; I83-F227 HydrophobicContact CD1-CZ 3.99Å; V134-F227 HydrophobicContact CG2-CD1 3.93Å; V134-F227 HydrophobicContact CG2-CD2 4.24Å; V134-F227 HydrophobicContact CG2-CE1 3.77Å; V134-F227 HydrophobicContact CG2-CE2 4.09Å; V134-F227 HydrophobicContact CG2-CG 4.16Å; V134-F227 HydrophobicContact CG2-CZ 3.85Å; L158-F227 HydrophobicContact CD2-CD1 4.37Å; L158-F227 HydrophobicContact CD2-CE1 4.33Å; V161-F227 HydrophobicContact CG1-CE1 4.44Å; V161-F227 HydrophobicContact CG1-CZ 4.35Å; V161-F227 HydrophobicContact CG2-CD1 4.12Å; V161-F227 HydrophobicContact CG2-CE1 3.79Å; V161-F227 HydrophobicContact CG2-CZ 4.48Å; V171-F227 HydrophobicContact CG1-CD2 3.84Å; V171-F227 HydrophobicContact CG1-CE2 3.63Å; S225-F227 PolarHBondContact O-N 3.06Å; S225-F227 VanDerWaalsContact O-N 3.14Å; S225-F227 PolarHBondContact OG-N 2.81Å; F227-S229 PolarHBondContact O-N 2.87Å; F227-S229 VanDerWaalsContact O-N 3.16Å; F227-L230 HydrophobicContact CD1-CD1 4.04Å; F227-L230 WeakPolarHBondContact O-CB 3.29Å; F227-L230 PolarHBondContact O-N 3.35Å; F227-I232 HydrophobicContact CB-CD1 4.29Å; F227-I232 HydrophobicContact CD1-CD1 4.24Å; F227-M234 HydrophobicContact CB-CE 4.06Å; F227-M234 HydrophobicContact CB-SD 4.07Å; F227-F238 HydrophobicContact CB-CE2 4.38Å; F227-F238 HydrophobicContact CB-CZ 4.15Å; F227-F238 HydrophobicContact CD1-CZ 4.31Å; F227-F238 HydrophobicContact CD2-CZ 4.28Å; F227-F238 AromaticContact CG-CZ 4Å; F227-F238 HydrophobicContact CG-CZ 4Å
228E98Very high97.4Very high25 Ų2545.3 Ų45.312%0.11724%0.241CC..G310 helixtrans-64.2-15.8171.3-64.3173.9-118.200111.9F212 R213 H224 S225 I226 L230 M234F212-E228 HydrophobicContact CE1-CG 4.27Å; R213-E228 PolarHBondContact NH1-O 3.38Å; H224-E228 WeakPolarHBondContact CA-OE1 3.33Å; H224-E228 IonicContact CE1-OE2 3.76Å; H224-E228 IonicContact CG-OE1 2.9Å; H224-E228 IonicContact ND1-OE1 3.94Å; H224-E228 PolarHBondContact ND1-OE1 3.36Å; H224-E228 IonicContact ND1-OE2 3.85Å; H224-E228 PolarHBondContact ND1-OE2 2.7Å; S225-E228 PolarHBondContact N-OE1 2.81Å; S225-E228 VanDerWaalsContact O-CB 3.27Å; S225-E228 WeakPolarHBondContact O-CB 3.26Å; S225-E228 WeakPolarHBondContact O-CG 3.47Å; S225-E228 PolarHBondContact O-N 3.19Å; I226-E228 PolarHBondContact O-N 3.44Å; E228-L230 PolarHBondContact O-N 2.82Å; E228-M234 HydrophobicContact CG-CE 3.87Å; E228-M234 HydrophobicContact CG-CG 4.05Å; E228-M234 HydrophobicContact CG-SD 4.01Å
229S96.7Very high97.3Very high61 Ų6137.8 Ų37.843%0.42722%0.215SC..G310 helixtrans-75.2-11.9173.772.70000113.9I226 F227I226-S229 VanDerWaalsContact O-CB 3.32Å; I226-S229 WeakPolarHBondContact O-CB 3.42Å; I226-S229 PolarHBondContact O-N 2.83Å; I226-S229 PolarHBondContact O-OG 3.35Å; F227-S229 PolarHBondContact O-N 2.87Å; F227-S229 VanDerWaalsContact O-N 3.16Å
230L96.2Very high97.2Very high4 Ų437.7 Ų37.72%0.02122%0.215CC..SBendtrans-92.3151.7178.9-61.5176.3000111.3V134 I137 K138 L158 R213 F227 E228 I232V134-L230 HydrophobicContact CG1-CD1 4.05Å; V134-L230 HydrophobicContact CG1-CD2 3.98Å; V134-L230 HydrophobicContact CG1-CG 3.85Å; V134-L230 HydrophobicContact CG2-CD1 4.33Å; I137-L230 HydrophobicContact CB-CD1 4.33Å; I137-L230 HydrophobicContact CB-CD2 4.25Å; I137-L230 HydrophobicContact CD1-CD1 4.27Å; I137-L230 HydrophobicContact CG2-CD1 3.9Å; I137-L230 HydrophobicContact CG2-CD2 3.93Å; K138-L230 HydrophobicContact CB-CD2 3.88Å; L158-L230 HydrophobicContact CD2-CD1 3.9Å; R213-L230 PolarHBondContact NH2-O 3.2Å; F227-L230 HydrophobicContact CD1-CD1 4.04Å; F227-L230 WeakPolarHBondContact O-CB 3.29Å; F227-L230 PolarHBondContact O-N 3.35Å; E228-L230 PolarHBondContact O-N 2.82Å; L230-I232 HydrophobicContact CB-CD1 4.24Å; L230-I232 HydrophobicContact CB-CG1 4.04Å; L230-I232 HydrophobicContact CB-CG2 4.16Å; L230-I232 HydrophobicContact CD1-CD1 4.34Å; L230-I232 PolarHBondContact O-N 3.08Å
231P94.6Very high96.6Very high104 Ų10438.8 Ų38.868%0.67522%0.221SC*.SBendtrans-78.955.5174.935.4-36.6000111.5T141T141-P231 HydrophobicContact CG2-CG 4.04Å
232I96.4Very high96.1Very high21 Ų2141 Ų4111%0.10824%0.237CC..SBendtrans-117.4157.9178.665.2177.4000110.6L158 R213 F227 L230 M234 T237 F238L158-I232 HydrophobicContact CD2-CD1 4.05Å; L158-I232 HydrophobicContact CD2-CG2 4.3Å; R213-I232 PolarHBondContact NH2-O 3.44Å; F227-I232 HydrophobicContact CB-CD1 4.29Å; F227-I232 HydrophobicContact CD1-CD1 4.24Å; L230-I232 HydrophobicContact CB-CD1 4.24Å; L230-I232 HydrophobicContact CB-CG1 4.04Å; L230-I232 HydrophobicContact CB-CG2 4.16Å; L230-I232 HydrophobicContact CD1-CD1 4.34Å; L230-I232 PolarHBondContact O-N 3.08Å; I232-M234 HydrophobicContact CD1-SD 4.24Å; I232-M234 HydrophobicContact CG1-SD 4.22Å; I232-T237 HydrophobicContact CB-CG2 4.22Å; I232-T237 HydrophobicContact CD1-CG2 4.05Å; I232-T237 HydrophobicContact CG2-CG2 4.47Å; I232-F238 HydrophobicContact CD1-CE2 4.47Å
233D97.9Very high95.6Very high59 Ų5938.5 Ų38.532%0.31623%0.226SC..  trans-84116.5171.7-179.1-53000109.5D209 I235 S236 T237D209-D233 HydrophobicContact CB-CB 4.28Å; D209-D233 WeakPolarHBondContact OD1-CA 3.48Å; D233-I235 PolarHBondContact O-N 2.77Å; D233-I235 VanDerWaalsContact O-N 3.1Å; D233-I235 VanDerWaalsContact OD1-CA 3.3Å; D233-I235 WeakPolarHBondContact OD1-CA 3.4Å; D233-I235 VanDerWaalsContact OD1-CB 3.3Å; D233-I235 WeakPolarHBondContact OD1-CB 3.42Å; D233-I235 PolarHBondContact OD1-N 3.23Å; D233-S236 VanDerWaalsContact CB-OG 3.29Å; D233-S236 WeakPolarHBondContact CB-OG 3.09Å; D233-S236 PolarHBondContact OD1-N 3.44Å; D233-T237 PolarHBondContact N-OG1 3.09Å; D233-T237 WeakPolarHBondContact O-CB 3.43Å; D233-T237 PolarHBondContact O-N 3.38Å; D233-T237 PolarHBondContact O-OG1 2.85Å
234M98.2Very high95Very high0 Ų040.3 Ų40.30%023%0.229CC..THydrogen-bonded Turntrans-68.6-5.2-176-68.3-60.3-62.800114.5R172 D209 F212 R213 F227 E228 I232 F238R172-M234 HydrophobicContact CG-CE 4.44Å; R172-M234 PolarHBondContact NE-O 2.97Å; R172-M234 PolarHBondContact NH2-O 3.17Å; D209-M234 PolarHBondContact OD1-N 3.08Å; F212-M234 HydrophobicContact CB-CB 4.33Å; F212-M234 HydrophobicContact CD1-CB 3.49Å; F212-M234 VanDerWaalsContact CD1-CB 3.49Å; F212-M234 HydrophobicContact CD1-CE 4.4Å; F212-M234 HydrophobicContact CD1-CG 3.85Å; F212-M234 HydrophobicContact CE1-CB 3.96Å; F212-M234 HydrophobicContact CE1-CE 3.76Å; F212-M234 HydrophobicContact CE1-CG 4.18Å; F212-M234 HydrophobicContact CG-CB 3.88Å; F212-M234 HydrophobicContact CZ-CE 4.33Å; R213-M234 HydrophobicContact CG-CG 4.45Å; F227-M234 HydrophobicContact CB-CE 4.06Å; F227-M234 HydrophobicContact CB-SD 4.07Å; E228-M234 HydrophobicContact CG-CE 3.87Å; E228-M234 HydrophobicContact CG-CG 4.05Å; E228-M234 HydrophobicContact CG-SD 4.01Å; I232-M234 HydrophobicContact CD1-SD 4.24Å; I232-M234 HydrophobicContact CG1-SD 4.22Å; M234-F238 HydrophobicContact CE-CD2 4.45Å; M234-F238 HydrophobicContact CE-CE2 3.74Å; M234-F238 HydrophobicContact CE-CZ 4.32Å; M234-F238 HydrophobicContact SD-CE2 4.03Å
235I97.7Very high94.4Very high14 Ų1439.5 Ų39.57%0.07223%0.226CC..THydrogen-bonded Turntrans-104.5-52.2175.8-53-55.1000110.7R172 R185 R207 F212 D233R172-I235 VanDerWaalsContact NH2-CD1 3.29Å; R185-I235 PolarHBondContact NH1-O 3.41Å; R207-I235 HydrophobicContact CB-CD1 3.7Å; R207-I235 HydrophobicContact CB-CG1 4.12Å; F212-I235 HydrophobicContact CB-CD1 4.07Å; F212-I235 HydrophobicContact CD2-CD1 3.86Å; F212-I235 HydrophobicContact CG-CD1 4.24Å; D233-I235 PolarHBondContact O-N 2.77Å; D233-I235 VanDerWaalsContact O-N 3.1Å; D233-I235 VanDerWaalsContact OD1-CA 3.3Å; D233-I235 WeakPolarHBondContact OD1-CA 3.4Å; D233-I235 VanDerWaalsContact OD1-CB 3.3Å; D233-I235 WeakPolarHBondContact OD1-CB 3.42Å; D233-I235 PolarHBondContact OD1-N 3.23Å
236S97.1Very high93.8Very high79 Ų7942.4 Ų42.455%0.55224%0.244SC*.THydrogen-bonded Turntrans-78.7-32.6-175.170.60000113D233 F238D233-S236 VanDerWaalsContact CB-OG 3.29Å; D233-S236 WeakPolarHBondContact CB-OG 3.09Å; D233-S236 PolarHBondContact OD1-N 3.44Å; S236-F238 PolarHBondContact O-N 3.12Å
237T97.7Very high93.3Very high10 Ų1047.3 Ų47.36%0.06126%0.26CS..SBendtrans-72-16.2178.4-43.60000111.8L158 E160 V161 I232 D233 P239L158-T237 HydrophobicContact CG-CG2 4.35Å; E160-T237 CarbonylContact C-O 3.53Å; E160-T237 WeakPolarHBondContact CA-O 3.37Å; V161-T237 HydrophobicContact CG2-CG2 4.4Å; V161-T237 PolarHBondContact N-O 3.14Å; I232-T237 HydrophobicContact CB-CG2 4.22Å; I232-T237 HydrophobicContact CD1-CG2 4.05Å; I232-T237 HydrophobicContact CG2-CG2 4.47Å; D233-T237 PolarHBondContact N-OG1 3.09Å; D233-T237 WeakPolarHBondContact O-CB 3.43Å; D233-T237 PolarHBondContact O-N 3.38Å; D233-T237 PolarHBondContact O-OG1 2.85Å; T237-P239 VanDerWaalsContact C-CD 3.49Å; T237-P239 WeakPolarHBondContact O-CD 3.2Å
238F97.8Very high92.7Very high0 Ų051.8 Ų51.80%028%0.284CS..SBendtrans-106.284173.5-74.1-93.9000109.7V161 R168 V171 R172 R185 F227 I232 M234 S236V161-F238 HydrophobicContact CB-CD1 3.8Å; V161-F238 HydrophobicContact CB-CE1 3.53Å; V161-F238 HydrophobicContact CB-CE2 4.37Å; V161-F238 HydrophobicContact CB-CG 4.36Å; V161-F238 HydrophobicContact CB-CZ 3.84Å; V161-F238 HydrophobicContact CG1-CD1 3.98Å; V161-F238 HydrophobicContact CG1-CE1 3.37Å; V161-F238 HydrophobicContact CG1-CZ 3.9Å; V161-F238 HydrophobicContact CG2-CE1 4.27Å; V161-F238 HydrophobicContact CG2-CE2 4.43Å; V161-F238 HydrophobicContact CG2-CZ 4.06Å; R168-F238 HydrophobicContact CG-CD1 4.24Å; V171-F238 HydrophobicContact CG1-CE1 3.77Å; V171-F238 HydrophobicContact CG1-CZ 4.16Å; R172-F238 HydrophobicContact CG-CD1 3.7Å; R172-F238 HydrophobicContact CG-CD2 4.18Å; R172-F238 HydrophobicContact CG-CE1 3.61Å; R172-F238 HydrophobicContact CG-CE2 4.14Å; R172-F238 HydrophobicContact CG-CG 3.97Å; R172-F238 HydrophobicContact CG-CZ 3.86Å; R185-F238 PolarHBondContact NH2-O 2.82Å; F227-F238 HydrophobicContact CB-CE2 4.38Å; F227-F238 HydrophobicContact CB-CZ 4.15Å; F227-F238 HydrophobicContact CD1-CZ 4.31Å; F227-F238 HydrophobicContact CD2-CZ 4.28Å; F227-F238 AromaticContact CG-CZ 4Å; F227-F238 HydrophobicContact CG-CZ 4Å; I232-F238 HydrophobicContact CD1-CE2 4.47Å; M234-F238 HydrophobicContact CE-CD2 4.45Å; M234-F238 HydrophobicContact CE-CE2 3.74Å; M234-F238 HydrophobicContact CE-CZ 4.32Å; M234-F238 HydrophobicContact SD-CE2 4.03Å; S236-F238 PolarHBondContact O-N 3.12Å
239P96.3Very high92Very high27 Ų2751.8 Ų51.818%0.17529%0.29CS..PPolyproline II helixtrans-64.2157.5179.628.2-36.3000111.7E160 I162 R168 T237E160-P239 HydrophobicContact CB-CG 4.2Å; E160-P239 HydrophobicContact CG-CG 4.25Å; I162-P239 HydrophobicContact CG1-CG 4.18Å; R168-P239 PolarHBondContact NH1-O 3.03Å; T237-P239 VanDerWaalsContact C-CD 3.49Å; T237-P239 WeakPolarHBondContact O-CD 3.2Å
240L94.2Very high91.5Very high51 Ų5152.6 Ų52.627%0.26729%0.292SS..PPolyproline II helixtrans-80.4119.4166-57.4-180000107.5D184 R185 P242 M245D184-L240 HydrophobicContact CB-CD2 3.99Å; R185-L240 HydrophobicContact CG-CD1 4.08Å; L240-P242 VanDerWaalsContact O-CD 3.29Å; L240-P242 WeakPolarHBondContact O-CD 3.34Å; L240-M245 HydrophobicContact CB-CE 3.48Å; L240-M245 VanDerWaalsContact CB-CE 3.48Å; L240-M245 HydrophobicContact CB-SD 3.97Å; L240-M245 HydrophobicContact CD1-CE 3.56Å; L240-M245 HydrophobicContact CD1-SD 4Å; L240-M245 HydrophobicContact CG-CE 4.1Å; L240-M245 HydrophobicContact CG-SD 4.4Å
241D86.8Confident91.1Very high23 Ų2355.4 Ų55.412%0.12331%0.31CS..PPolyproline II helixtrans-67.2116.6-178.4171.250.7000111.5M243 H244 M245D241-M243 VanDerWaalsContact C-N 3.25Å; D241-M243 PolarHBondContact O-N 3.02Å; D241-M243 PolarHBondContact OD1-N 2.7Å; D241-M243 WeakPolarHBondContact OD2-CB 3.49Å; D241-M243 PolarHBondContact OD2-N 3.27Å; D241-H244 IonicContact OD2-CE1 2.94Å; D241-H244 IonicContact OD2-CG 2.79Å; D241-H244 PolarHBondContact OD2-N 2.88Å; D241-H244 IonicContact OD2-ND1 2.64Å; D241-H244 PolarHBondContact OD2-ND1 2.88Å; D241-M245 WeakPolarHBondContact O-CG 3.43Å; D241-M245 PolarHBondContact O-N 2.81Å; D241-M245 VanDerWaalsContact O-N 3.15Å
242P86.2Confident90.7Very high66 Ų6656.8 Ų56.843%0.42931%0.305SS..Hα-helixtrans-68.2-25.5-17927.5-34.5000112.4L240 V246 Y247L240-P242 VanDerWaalsContact O-CD 3.29Å; L240-P242 WeakPolarHBondContact O-CD 3.34Å; P242-V246 WeakPolarHBondContact O-CA 3.46Å; P242-V246 WeakPolarHBondContact O-CB 3.19Å; P242-V246 PolarHBondContact O-N 2.86Å; P242-Y247 PolarHBondContact O-N 2.75Å
243M87.3Confident90.2Very high85 Ų8562.9 Ų62.942%0.41933%0.333SS..Iπ-helixtrans-62-49.8179-178.3-17673.400110.8D241 Y247 L248D241-M243 VanDerWaalsContact C-N 3.25Å; D241-M243 PolarHBondContact O-N 3.02Å; D241-M243 PolarHBondContact OD1-N 2.7Å; D241-M243 WeakPolarHBondContact OD2-CB 3.49Å; D241-M243 PolarHBondContact OD2-N 3.27Å; M243-Y247 HydrophobicContact CB-CD2 4.3Å; M243-Y247 PolarHBondContact O-N 3.24Å; M243-L248 HydrophobicContact CG-CD1 4.09Å; M243-L248 HydrophobicContact CG-CG 4.37Å; M243-L248 WeakPolarHBondContact O-CB 3.44Å; M243-L248 PolarHBondContact O-N 2.83Å
244H83.5Confident89.7Confident61 Ų6165.5 Ų65.528%0.28235%0.346SS..Iπ-helixtrans-76.8-35.5179.5-67.6103.4000113.4D84 D164 D241 G249D84-H244 IonicContact OD2-CE1 2.66Å; D164-H244 WeakPolarHBondContact CB-ND1 3.27Å; D241-H244 IonicContact OD2-CE1 2.94Å; D241-H244 IonicContact OD2-CG 2.79Å; D241-H244 PolarHBondContact OD2-N 2.88Å; D241-H244 IonicContact OD2-ND1 2.64Å; D241-H244 PolarHBondContact OD2-ND1 2.88Å; H244-G249 WeakPolarHBondContact O-CA 3.42Å; H244-G249 PolarHBondContact O-N 3.27Å
245M84.6Confident89.3Confident87 Ų8768.6 Ų68.643%0.42937%0.365SS..Iπ-helixtrans-79.2-46.2-178.3-66.1-147.4-45.900113.3L240 D241 V250L240-M245 HydrophobicContact CB-CE 3.48Å; L240-M245 VanDerWaalsContact CB-CE 3.48Å; L240-M245 HydrophobicContact CB-SD 3.97Å; L240-M245 HydrophobicContact CD1-CE 3.56Å; L240-M245 HydrophobicContact CD1-SD 4Å; L240-M245 HydrophobicContact CG-CE 4.1Å; L240-M245 HydrophobicContact CG-SD 4.4Å; D241-M245 WeakPolarHBondContact O-CG 3.43Å; D241-M245 PolarHBondContact O-N 2.81Å; D241-M245 VanDerWaalsContact O-N 3.15Å; M245-V250 WeakPolarHBondContact O-CG2 3.45Å; M245-V250 PolarHBondContact O-N 3.03Å; M245-V250 VanDerWaalsContact O-N 3.12Å
246V86.6Confident88.7Confident66 Ų6670.3 Ų70.340%0.438%0.377SS..Iπ-helixtrans-95.9-59.3-171.9-174.90000109.9P242 V250 T251P242-V246 WeakPolarHBondContact O-CA 3.46Å; P242-V246 WeakPolarHBondContact O-CB 3.19Å; P242-V246 PolarHBondContact O-N 2.86Å; V246-V250 PolarHBondContact O-N 2.94Å; V246-T251 WeakPolarHBondContact O-CB 3.31Å; V246-T251 PolarHBondContact O-N 2.78Å; V246-T251 PolarHBondContact O-OG1 2.97Å; V246-T251 VanDerWaalsContact O-OG1 3.1Å
247Y88Confident88.2Confident150 Ų15070.7 Ų70.759%0.58838%0.377SS*.Iπ-helixtrans-73.9-50.9-168.8-51.5-34.7000112.6P242 M243 T251 K252P242-Y247 PolarHBondContact O-N 2.75Å; M243-Y247 HydrophobicContact CB-CD2 4.3Å; M243-Y247 PolarHBondContact O-N 3.24Å; Y247-T251 WeakPolarHBondContact O-CB 3.28Å; Y247-K252 PolarHBondContact O-N 2.74Å
248L85.4Confident87.6Confident95 Ų9580.9 Ų80.950%0.49741%0.414SS..Iπ-helixtrans-87.8-22180-63.9177.9000113.2M243 K252M243-L248 HydrophobicContact CG-CD1 4.09Å; M243-L248 HydrophobicContact CG-CG 4.37Å; M243-L248 WeakPolarHBondContact O-CB 3.44Å; M243-L248 PolarHBondContact O-N 2.83Å; L248-K252 WeakPolarHBondContact O-CB 3.46Å; L248-K252 WeakPolarHBondContact O-CD 3.47Å
249G84Confident87Confident24 Ų2487.5 Ų87.525%0.24745%0.448CS..Iπ-helixtrans-85.4-90.2176.200000111.1H244 K252 E253H244-G249 WeakPolarHBondContact O-CA 3.42Å; H244-G249 PolarHBondContact O-N 3.27Å; G249-K252 PolarHBondContact O-N 2.97Å; G249-E253 PolarHBondContact O-N 2.8Å; G249-E253 VanDerWaalsContact O-N 3.15Å
250V85.8Confident85.6Confident79 Ų7996.1 Ų96.148%0.47949%0.486SS..Iπ-helixtrans-62-50.8-172.4176.40000112.8M245 V246 K252 E253 L254M245-V250 WeakPolarHBondContact O-CG2 3.45Å; M245-V250 PolarHBondContact O-N 3.03Å; M245-V250 VanDerWaalsContact O-N 3.12Å; V246-V250 PolarHBondContact O-N 2.94Å; V250-K252 VanDerWaalsContact C-N 3.29Å; V250-K252 PolarHBondContact O-N 2.88Å; V250-E253 PolarHBondContact O-N 2.91Å; V250-L254 HydrophobicContact CG1-CD1 3.8Å; V250-L254 HydrophobicContact CG1-CG 4.26Å; V250-L254 WeakPolarHBondContact O-CG 3.49Å; V250-L254 PolarHBondContact O-N 2.91Å
251T87.6Confident85.2Confident63 Ų6398.4 Ų98.439%0.38750%0.497SS..Iπ-helixtrans-63.8-38.4-175.7-59.20000111.2V246 Y247 L254 V255V246-T251 WeakPolarHBondContact O-CB 3.31Å; V246-T251 PolarHBondContact O-N 2.78Å; V246-T251 PolarHBondContact O-OG1 2.97Å; V246-T251 VanDerWaalsContact O-OG1 3.1Å; Y247-T251 WeakPolarHBondContact O-CB 3.28Å; T251-L254 PolarHBondContact O-N 3.18Å; T251-V255 HydrophobicContact CG2-CG2 4.14Å; T251-V255 WeakPolarHBondContact O-CB 3.31Å; T251-V255 VanDerWaalsContact O-CG2 3.24Å; T251-V255 WeakPolarHBondContact O-CG2 3.25Å; T251-V255 PolarHBondContact O-N 3.17Å
252K85.7Confident85.1Confident132 Ų132102.3 Ų102.357%0.57452%0.517SS*.Hα-helixtrans-61.2-48.9174.6-171.3178.5177.9-176.80111.3Y247 L248 G249 V250 L254 V255 T256Y247-K252 PolarHBondContact O-N 2.74Å; L248-K252 WeakPolarHBondContact O-CB 3.46Å; L248-K252 WeakPolarHBondContact O-CD 3.47Å; G249-K252 PolarHBondContact O-N 2.97Å; V250-K252 VanDerWaalsContact C-N 3.29Å; V250-K252 PolarHBondContact O-N 2.88Å; K252-L254 VanDerWaalsContact C-N 3.29Å; K252-L254 PolarHBondContact O-N 2.91Å; K252-V255 PolarHBondContact O-N 2.86Å; K252-T256 WeakPolarHBondContact O-CB 3.31Å; K252-T256 PolarHBondContact O-N 3.37Å; K252-T256 PolarHBondContact O-OG1 3.4Å
253E85.5Confident85.1Confident149 Ų149104.3 Ų104.370%0.69652%0.522SS*.Hα-helixtrans-60.3-37.6177.5-73.3-168.1161.500112.9G249 V250 P257G249-E253 PolarHBondContact O-N 2.8Å; G249-E253 VanDerWaalsContact O-N 3.15Å; V250-E253 PolarHBondContact O-N 2.91Å; E253-P257 WeakPolarHBondContact O-CD 3.27Å
254L88.7Confident84.9Confident114 Ų114105.5 Ų105.560%0.59753%0.528SS*.Hα-helixtrans-71.3-34.8178.7-71175000113.2V250 T251 K252 W258V250-L254 HydrophobicContact CG1-CD1 3.8Å; V250-L254 HydrophobicContact CG1-CG 4.26Å; V250-L254 WeakPolarHBondContact O-CG 3.49Å; V250-L254 PolarHBondContact O-N 2.91Å; T251-L254 PolarHBondContact O-N 3.18Å; K252-L254 VanDerWaalsContact C-N 3.29Å; K252-L254 PolarHBondContact O-N 2.91Å; L254-W258 PolarHBondContact O-NE1 3.1Å
255V88.3Confident85Confident65 Ų65108.3 Ų108.339%0.39454%0.543SS..Hα-helixtrans-89.5-32-173.61750000112.3T251 K252 P257 W258 I259T251-V255 HydrophobicContact CG2-CG2 4.14Å; T251-V255 WeakPolarHBondContact O-CB 3.31Å; T251-V255 VanDerWaalsContact O-CG2 3.24Å; T251-V255 WeakPolarHBondContact O-CG2 3.25Å; T251-V255 PolarHBondContact O-N 3.17Å; K252-V255 PolarHBondContact O-N 2.86Å; V255-P257 VanDerWaalsContact C-CD 3.46Å; V255-P257 VanDerWaalsContact C-N 3.34Å; V255-W258 WeakPolarHBondContact O-CB 3.3Å; V255-W258 PolarHBondContact O-N 3.39Å; V255-I259 HydrophobicContact CG1-CD1 3.61Å; V255-I259 HydrophobicContact CG1-CG1 4.05Å; V255-I259 PolarHBondContact O-N 2.92Å
256T86.1Confident85.1Confident51 Ų51109.7 Ų109.731%0.31355%0.551SS.*Hα-helixtrans-49.3-45.5-179.5-69.20000113.6K252 W258 I259 E260K252-T256 WeakPolarHBondContact O-CB 3.31Å; K252-T256 PolarHBondContact O-N 3.37Å; K252-T256 PolarHBondContact O-OG1 3.4Å; T256-W258 PolarHBondContact O-N 2.78Å; T256-W258 VanDerWaalsContact O-N 3.11Å; T256-I259 PolarHBondContact O-N 3.3Å; T256-I259 VanDerWaalsContact O-N 3.12Å; T256-E260 HydrophobicContact CG2-CG 4.17Å; T256-E260 WeakPolarHBondContact CG2-OE1 3.44Å; T256-E260 PolarHBondContact O-N 2.75Å
257P86.3Confident85Confident86 Ų86112.8 Ų112.856%0.55856%0.562SS**Hα-helixtrans-63.7-16.1178.2-2334000115.7E253 V255E253-P257 WeakPolarHBondContact O-CD 3.27Å; V255-P257 VanDerWaalsContact C-CD 3.46Å; V255-P257 VanDerWaalsContact C-N 3.34Å
258W86.2Confident84.7Confident224 Ų224109.9 Ų109.985%0.84856%0.56SS**Hα-helixtrans-92.7-16.9178.4-59.685.8000112.9L254 V255 T256L254-W258 PolarHBondContact O-NE1 3.1Å; V255-W258 WeakPolarHBondContact O-CB 3.3Å; V255-W258 PolarHBondContact O-N 3.39Å; T256-W258 PolarHBondContact O-N 2.78Å; T256-W258 VanDerWaalsContact O-N 3.11Å
259I83.6Confident84.7Confident139 Ų139111.2 Ų111.271%0.71357%0.565SS**Hα-helixtrans-97.3-27.4-179.6-61.6-179.7000111V255 T256V255-I259 HydrophobicContact CG1-CD1 3.61Å; V255-I259 HydrophobicContact CG1-CG1 4.05Å; V255-I259 PolarHBondContact O-N 2.92Å; T256-I259 PolarHBondContact O-N 3.3Å; T256-I259 VanDerWaalsContact O-N 3.12Å
260E68.3Low84.7Confident208 Ų208119.1 Ų119.197%0.97259%0.594SS**  trans-80.70174.5-66.7-178.4173.400112.7T256T256-E260 HydrophobicContact CG2-CG 4.17Å; T256-E260 WeakPolarHBondContact CG2-OE1 3.44Å; T256-E260 PolarHBondContact O-N 2.75Å

Retrieved 260 of 260 residues in 91.5 ms (Link to these results)

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