A0A090N8Z6_HUMAN Loading...

Amiloride-sensitive cation channel 3

AlphaFold DB , UniProt , Accession A0A090N8Z6, Species HUMAN (Homo sapiens, Human), Gene ACCN3, Length 543 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M41Very low33.6Very low254 Ų254158.9 Ų158.9100%1.25187%0.866SS**  0110.30-91.9155.8163.300108.9
2K28.6Very low34.2Very low206 Ų206164.7 Ų164.790%0.89687%0.865SS**  trans-143.2133.6169.6-144.5171.8-174.4-179.70104.9
3P32.2Very low35.3Very low124 Ų124158.7 Ų158.781%0.80584%0.842SS**  trans-80.7143.5-156.127.8-25.3000112.4
4T31.7Very low36.4Very low143 Ų143151.7 Ų151.788%0.87782%0.818SS**  trans-64.3120.1169.933.40000111.1
5S31.3Very low37.9Very low118 Ų118145.1 Ų145.183%0.82579%0.788SS**  trans-79.8115.7164.351.60000109.2
6G28.5Very low40.1Very low61 Ų61139.9 Ų139.963%0.62976%0.76SS**  trans-66.7158.1169.200000111.6E8G6-E8 PolarHBondContact O-N 3.19Å
7P34.7Very low42.3Very low133 Ų133135.8 Ų135.886%0.86474%0.736SS**  trans-73.1117.8178.629.8-30.2000109.4E9P7-E9 PolarHBondContact O-N 2.92Å
8E32.2Very low44.2Very low191 Ų191136.7 Ų136.789%0.89373%0.727SS**  trans-70.5107.6167.4-159174.816400107.5G6 A10G6-E8 PolarHBondContact O-N 3.19Å; E8-A10 VanDerWaalsContact C-N 3.27Å; E8-A10 PolarHBondContact O-N 3.42Å
9E34.9Very low45.9Very low191 Ų191133.5 Ų133.589%0.89371%0.713SS**  trans-69.686.2177.1-163.4162.4-161.800108.8P7 R11P7-E9 PolarHBondContact O-N 2.92Å; E9-R11 PolarHBondContact O-N 3.38Å; E9-R11 VanDerWaalsContact O-N 3.12Å
10A34.8Very low47.7Very low80 Ų80128.7 Ų128.766%0.66169%0.686SS**  trans-61.3113.2176.300000109.6E8 R12E8-A10 VanDerWaalsContact C-N 3.27Å; E8-A10 PolarHBondContact O-N 3.42Å; A10-R12 PolarHBondContact O-N 2.85Å
11R39.5Very low49.2Very low247 Ų247122.6 Ų122.693%0.93265%0.653SS**  trans-49.5103.9161.3-88.9177.3171.6165.9-3108.2E9E9-R11 PolarHBondContact O-N 3.38Å; E9-R11 VanDerWaalsContact O-N 3.12Å
12R41.2Very low50.9Low228 Ų228114.2 Ų114.286%0.8662%0.619SS**  trans-63.6132175.6-68.7177.9179.7174.8-0.1108.5A10 A14A10-R12 PolarHBondContact O-N 2.85Å; R12-A14 PolarHBondContact O-N 3.3Å; R12-A14 VanDerWaalsContact O-N 3.12Å
13P47.8Very low53.3Low87 Ų87110.4 Ų110.457%0.56561%0.609SS**  trans-68.8112.6172.927.7-29.7000107.8S15 D16P13-S15 PolarHBondContact O-N 3.02Å; P13-D16 PolarHBondContact O-N 3.28Å
14A51.3Low55.6Low61 Ų61105.2 Ų105.250%0.50458%0.575SS.*THydrogen-bonded Turntrans-62.4-6.9176.300000113.2R12R12-A14 PolarHBondContact O-N 3.3Å; R12-A14 VanDerWaalsContact O-N 3.12Å
15S58.2Low58Low53 Ų53100.5 Ų100.537%0.37155%0.548SS..THydrogen-bonded Turntrans-100.510.5-176.949.60000115.3P13 I17P13-S15 PolarHBondContact O-N 3.02Å; S15-I17 PolarHBondContact O-N 3.36Å
16D74.2Confident60.5Low62 Ų6296.5 Ų96.533%0.33252%0.517SS..  trans-77.7112.1173.4-169.1-10.9000110.8P13 R18 V19 F20P13-D16 PolarHBondContact O-N 3.28Å; D16-R18 PolarHBondContact O-N 3.36Å; D16-R18 WeakPolarHBondContact OD1-CB 3.48Å; D16-R18 PolarHBondContact OD1-N 3.03Å; D16-V19 HydrophobicContact CB-CB 4.47Å; D16-V19 HydrophobicContact CB-CG2 4.03Å; D16-V19 WeakPolarHBondContact O-CB 3.36Å; D16-V19 PolarHBondContact O-N 2.89Å; D16-F20 PolarHBondContact O-N 2.94Å
17I76.7Confident63.1Low70 Ų70100 Ų10036%0.35952%0.516SS..Hα-helixtrans-51.9-27.6176.9-170.561.6000112.8S15 F20 A21 F33 Y459S15-I17 PolarHBondContact O-N 3.36Å; I17-F20 HydrophobicContact CD1-CD1 4.31Å; I17-A21 WeakPolarHBondContact O-CB 3.46Å; I17-A21 PolarHBondContact O-N 3.32Å; I17-F33 HydrophobicContact CG1-CE1 4.31Å; I17-F33 HydrophobicContact CG1-CZ 4.45Å; I17-Y459 WeakPolarHBondContact CA-OH 3.29Å; I17-Y459 HydrophobicContact CD1-CE1 3.89Å; I17-Y459 PolarHBondContact N-OH 3.49Å
18R76.2Confident65.3Low152 Ų15294.2 Ų94.257%0.57448%0.481SS*.Hα-helixtrans-71-36.8177.8-64178.5178.31751.3112.5D16 S22D16-R18 PolarHBondContact O-N 3.36Å; D16-R18 WeakPolarHBondContact OD1-CB 3.48Å; D16-R18 PolarHBondContact OD1-N 3.03Å; R18-S22 PolarHBondContact O-N 3.4Å; R18-S22 VanDerWaalsContact O-N 3.14Å; R18-S22 PolarHBondContact O-OG 3.35Å
19V77.4Confident67.8Low76 Ų7686.1 Ų86.146%0.46144%0.444SS..Hα-helixtrans-73.2-40.2178.2178.40000110.1D16 S22 N23D16-V19 HydrophobicContact CB-CB 4.47Å; D16-V19 HydrophobicContact CB-CG2 4.03Å; D16-V19 WeakPolarHBondContact O-CB 3.36Å; D16-V19 PolarHBondContact O-N 2.89Å; V19-S22 PolarHBondContact O-OG 3.19Å; V19-N23 PolarHBondContact O-N 2.92Å; V19-N23 PolarHBondContact O-ND2 3.01Å
20F80.6Confident69.9Low37 Ų3778.7 Ų78.716%0.16242%0.419CS..Hα-helixtrans-63.9-48.9172.9177.7-102.7000111.4D16 I17 S22 N23 C24 L29 E455 I456 Y459D16-F20 PolarHBondContact O-N 2.94Å; I17-F20 HydrophobicContact CD1-CD1 4.31Å; F20-S22 VanDerWaalsContact C-N 3.25Å; F20-S22 PolarHBondContact O-N 3.43Å; F20-N23 PolarHBondContact O-N 2.93Å; F20-C24 HydrophobicContact CE1-CB 4.18Å; F20-C24 HydrophobicContact CZ-CB 4.16Å; F20-C24 WeakPolarHBondContact O-CB 3.16Å; F20-C24 PolarHBondContact O-N 3.23Å; F20-L29 HydrophobicContact CE1-CD2 4.43Å; F20-E455 WeakPolarHBondContact CE2-O 3.28Å; F20-I456 HydrophobicContact CE1-CG1 4.4Å; F20-I456 HydrophobicContact CZ-CB 4.48Å; F20-I456 HydrophobicContact CZ-CG1 3.94Å; F20-Y459 HydrophobicContact CB-CD2 3.74Å; F20-Y459 HydrophobicContact CB-CE2 3.64Å; F20-Y459 HydrophobicContact CB-CG 4.29Å; F20-Y459 AromaticContact CD1-CD1 3.96Å; F20-Y459 HydrophobicContact CD1-CD1 3.96Å; F20-Y459 HydrophobicContact CD1-CD2 4.36Å; F20-Y459 HydrophobicContact CD1-CE1 4.19Å; F20-Y459 HydrophobicContact CD1-CG 4.05Å; F20-Y459 HydrophobicContact CD2-CD1 4.27Å; F20-Y459 AromaticContact CD2-CD2 3.58Å; F20-Y459 HydrophobicContact CD2-CD2 3.58Å; F20-Y459 HydrophobicContact CD2-CE2 4.35Å; F20-Y459 AromaticContact CD2-CG 3.52Å; F20-Y459 HydrophobicContact CD2-CG 3.52Å; F20-Y459 HydrophobicContact CE1-CD1 4.12Å; F20-Y459 HydrophobicContact CE1-CG 4.29Å; F20-Y459 HydrophobicContact CE2-CD1 4.42Å; F20-Y459 HydrophobicContact CE2-CD2 4.31Å; F20-Y459 AromaticContact CE2-CG 3.8Å; F20-Y459 HydrophobicContact CE2-CG 3.8Å; F20-Y459 HydrophobicContact CG-CD1 4.04Å; F20-Y459 AromaticContact CG-CD2 3.61Å; F20-Y459 HydrophobicContact CG-CD2 3.61Å; F20-Y459 HydrophobicContact CG-CE1 4.33Å; F20-Y459 AromaticContact CG-CE2 3.93Å; F20-Y459 HydrophobicContact CG-CE2 3.93Å; F20-Y459 AromaticContact CG-CG 3.66Å; F20-Y459 HydrophobicContact CG-CG 3.66Å; F20-Y459 HydrophobicContact CZ-CD1 4.35Å; F20-Y459 HydrophobicContact CZ-CG 4.17Å
21A79.7Confident72.2Confident1 Ų179.3 Ų79.31%0.00841%0.408CS..Hα-helixtrans-62.3-28.3-179.100000114.2I17 L29 G30 F33I17-A21 WeakPolarHBondContact O-CB 3.46Å; I17-A21 PolarHBondContact O-N 3.32Å; A21-L29 HydrophobicContact CB-CD2 3.95Å; A21-L29 HydrophobicContact CB-CG 3.77Å; A21-G30 VanDerWaalsContact O-CA 3.28Å; A21-G30 WeakPolarHBondContact O-CA 3.36Å; A21-G30 PolarHBondContact O-N 3.08Å; A21-F33 HydrophobicContact CB-CB 3.51Å; A21-F33 HydrophobicContact CB-CD2 3.58Å; A21-F33 HydrophobicContact CB-CG 3.78Å
22S76.4Confident74.3Confident77 Ų7769.1 Ų69.154%0.53837%0.373SS..Hα-helixtrans-77.8-23174.558.10000113.9R18 V19 F20R18-S22 PolarHBondContact O-N 3.4Å; R18-S22 VanDerWaalsContact O-N 3.14Å; R18-S22 PolarHBondContact O-OG 3.35Å; V19-S22 PolarHBondContact O-OG 3.19Å; F20-S22 VanDerWaalsContact C-N 3.25Å; F20-S22 PolarHBondContact O-N 3.43Å
23N80.3Confident76.2Confident127 Ų12761.9 Ų61.968%0.67935%0.348SS*.Hα-helixtrans-105.5-14.8-175.6-66.8-6.5000113.2V19 F20V19-N23 PolarHBondContact O-N 2.92Å; V19-N23 PolarHBondContact O-ND2 3.01Å; F20-N23 PolarHBondContact O-N 2.93Å
24C81.1Confident77.4Confident14 Ų1458.6 Ų58.610%0.09533%0.33CS..  trans-67.3138.3179.3-176.40000110.8F20 M26 L29F20-C24 HydrophobicContact CE1-CB 4.18Å; F20-C24 HydrophobicContact CZ-CB 4.16Å; F20-C24 WeakPolarHBondContact O-CB 3.16Å; F20-C24 PolarHBondContact O-N 3.23Å; C24-M26 PolarHBondContact O-N 3.04Å; C24-M26 VanDerWaalsContact SG-CB 3.59Å; C24-M26 PolarHBondContact SG-N 3.45Å; C24-M26 VanDerWaalsContact SG-N 3.45Å; C24-L29 HydrophobicContact CB-CD2 3.94Å
25S81.1Confident78.1Confident44 Ų4461.9 Ų61.931%0.30835%0.346SS..SBendtrans-68.9-6.5176.250.80000114.2H27 T452 E455S25-H27 PolarHBondContact O-N 3.04Å; S25-T452 WeakPolarHBondContact OG-CA 3.47Å; S25-T452 VanDerWaalsContact OG-CB 3.25Å; S25-T452 WeakPolarHBondContact OG-CB 3.45Å; S25-T452 VanDerWaalsContact OG-CG2 3.27Å; S25-T452 WeakPolarHBondContact OG-CG2 3.47Å; S25-T452 PolarHBondContact OG-OG1 3.26Å; S25-E455 PolarHBondContact N-OE2 3.48Å; S25-E455 VanDerWaalsContact N-OE2 3.1Å; S25-E455 PolarHBondContact OG-OE1 3.12Å; S25-E455 PolarHBondContact OG-OE2 3.47Å
26M83.4Confident78.5Confident35 Ų3562 Ų6217%0.17236%0.356CS..SBendtrans-69.6124.1177.3-174.516288.400112.4C24 L29 I446 T452C24-M26 PolarHBondContact O-N 3.04Å; C24-M26 VanDerWaalsContact SG-CB 3.59Å; C24-M26 PolarHBondContact SG-N 3.45Å; C24-M26 VanDerWaalsContact SG-N 3.45Å; M26-L29 HydrophobicContact CB-CB 4.39Å; M26-L29 HydrophobicContact CE-CB 3.86Å; M26-L29 HydrophobicContact CE-CD1 3.61Å; M26-L29 HydrophobicContact CE-CD2 3.95Å; M26-L29 HydrophobicContact CE-CG 3.98Å; M26-I446 HydrophobicContact CG-CG2 3.43Å; M26-I446 VanDerWaalsContact CG-CG2 3.43Å; M26-I446 HydrophobicContact SD-CG2 3.48Å; M26-I446 WeakPolarHBondContact SD-CG2 3.24Å; M26-T452 HydrophobicContact CB-CG2 4.05Å
27H83.8Confident78.1Confident133 Ų13364 Ų6462%0.61637%0.374SS*.THydrogen-bonded Turntrans-65.6139.5-179.7-68.3-179.3000111.7S25 L29 I446S25-H27 PolarHBondContact O-N 3.04Å; H27-L29 PolarHBondContact O-N 3.15Å; H27-I446 WeakPolarHBondContact CB-O 3.34Å; H27-I446 PolarHBondContact N-O 3.38Å
28G81.6Confident77.9Confident12 Ų1269.2 Ų69.212%0.12440%0.402CS..THydrogen-bonded Turntrans82.3-19.3176.900000115.4G30 H31 V32G28-G30 PolarHBondContact O-N 2.94Å; G28-H31 PolarHBondContact O-N 3.49Å; G28-H31 VanDerWaalsContact O-N 3.15Å; G28-V32 WeakPolarHBondContact O-CG2 3.28Å; G28-V32 PolarHBondContact O-N 3.28Å
29L82.8Confident78Confident22 Ų2265 Ų6512%0.11540%0.396CS..Hα-helixtrans-63.1-42-178.8-167.465.9000112.2F20 A21 C24 M26 H27 H31 V32 F33F20-L29 HydrophobicContact CE1-CD2 4.43Å; A21-L29 HydrophobicContact CB-CD2 3.95Å; A21-L29 HydrophobicContact CB-CG 3.77Å; C24-L29 HydrophobicContact CB-CD2 3.94Å; M26-L29 HydrophobicContact CB-CB 4.39Å; M26-L29 HydrophobicContact CE-CB 3.86Å; M26-L29 HydrophobicContact CE-CD1 3.61Å; M26-L29 HydrophobicContact CE-CD2 3.95Å; M26-L29 HydrophobicContact CE-CG 3.98Å; H27-L29 PolarHBondContact O-N 3.15Å; L29-H31 VanDerWaalsContact C-N 3.27Å; L29-H31 PolarHBondContact O-N 2.99Å; L29-V32 PolarHBondContact O-N 2.97Å; L29-V32 VanDerWaalsContact O-N 3.16Å; L29-F33 HydrophobicContact CD1-CD2 3.69Å; L29-F33 HydrophobicContact CD1-CE2 3.49Å; L29-F33 VanDerWaalsContact CD1-CE2 3.49Å; L29-F33 HydrophobicContact CG-CD2 4.09Å; L29-F33 HydrophobicContact CG-CE2 4.36Å; L29-F33 PolarHBondContact O-N 3.18Å
30G80.9Confident78.3Confident35 Ų3568.4 Ų68.436%0.36141%0.411SS..Hα-helixtrans-64.7-26.4176.100000114.3A21 G28 G34A21-G30 VanDerWaalsContact O-CA 3.28Å; A21-G30 WeakPolarHBondContact O-CA 3.36Å; A21-G30 PolarHBondContact O-N 3.08Å; G28-G30 PolarHBondContact O-N 2.94Å; G30-G34 PolarHBondContact O-N 2.04Å
31H82.2Confident78.4Confident92 Ų9274.1 Ų74.143%0.42643%0.431SS..Hα-helixtrans-79.1-24.1175.5-68.2-49.6000113.1G28 L29 W45G28-H31 PolarHBondContact O-N 3.49Å; G28-H31 VanDerWaalsContact O-N 3.15Å; L29-H31 VanDerWaalsContact C-N 3.27Å; L29-H31 PolarHBondContact O-N 2.99Å; H31-W45 HydrophobicContact CB-CB 4.13Å; H31-W45 HydrophobicContact CB-CD2 3.85Å; H31-W45 HydrophobicContact CB-CE3 4.33Å; H31-W45 HydrophobicContact CB-CG 3.73Å; H31-W45 AromaticContact CD2-CE2 3.93Å; H31-W45 AromaticContact CD2-CH2 3.97Å; H31-W45 AromaticContact CD2-CZ2 3.91Å
32V83.7Confident78.7Confident33 Ų3377 Ų7720%0.244%0.442CS..Hα-helixtrans-78.4-43.6176.3176.70000111G28 L29 W45 A46 V49G28-V32 WeakPolarHBondContact O-CG2 3.28Å; G28-V32 PolarHBondContact O-N 3.28Å; L29-V32 PolarHBondContact O-N 2.97Å; L29-V32 VanDerWaalsContact O-N 3.16Å; V32-W45 HydrophobicContact CG2-CB 4.33Å; V32-A46 HydrophobicContact CG1-CB 4.34Å; V32-A46 HydrophobicContact CG2-CB 4.2Å; V32-V49 HydrophobicContact CG2-CG2 4.31Å
33F80.3Confident79.1Confident77 Ų7775.4 Ų75.434%0.33844%0.438SS..SBendtrans-100.616-172.7-68.5-76.7000115.7I17 A21 L29I17-F33 HydrophobicContact CG1-CE1 4.31Å; I17-F33 HydrophobicContact CG1-CZ 4.45Å; A21-F33 HydrophobicContact CB-CB 3.51Å; A21-F33 HydrophobicContact CB-CD2 3.58Å; A21-F33 HydrophobicContact CB-CG 3.78Å; L29-F33 HydrophobicContact CD1-CD2 3.69Å; L29-F33 HydrophobicContact CD1-CE2 3.49Å; L29-F33 VanDerWaalsContact CD1-CE2 3.49Å; L29-F33 HydrophobicContact CG-CD2 4.09Å; L29-F33 HydrophobicContact CG-CE2 4.36Å; L29-F33 PolarHBondContact O-N 3.18Å
34G73.3Confident79.5Confident18 Ų1875 Ų7519%0.18643%0.433CS..  trans-61160.8179.500000114.9G30 R42G30-G34 PolarHBondContact O-N 2.04Å; G34-R42 PolarHBondContact O-NH1 2.95Å; G34-R42 PolarHBondContact O-NH2 3.09Å
35P66.6Low79.9Confident129 Ų12979 Ų7984%0.83845%0.447SS*.SBendtrans-69.6131.2179.426.7-32.7000112R42P35-R42 PolarHBondContact O-NH2 3.24Å
36G66Low80.2Confident57 Ų5778.5 Ų78.559%0.58845%0.445SS*.SBendtrans132.3-178.7177.600000115.9R42G36-R42 VanDerWaalsContact CA-NH2 3.28Å; G36-R42 VanDerWaalsContact N-NH2 3.14Å; G36-R42 PolarHBondContact O-NH1 3.21Å; G36-R42 PolarHBondContact O-NH2 3.13Å
37S66.6Low80.6Confident102 Ų10279.8 Ų79.871%0.71346%0.462SS*.SBendtrans-75.4166.4-178.9590000114S39 R42S37-S39 PolarHBondContact O-N 3.41Å; S37-S39 VanDerWaalsContact O-N 3.15Å; S37-R42 PolarHBondContact O-NH1 3.23Å
38L71.2Confident80.9Confident180 Ų18075.7 Ų75.794%0.94245%0.451SS*.  trans-61.8114.8174.9-83.2104.9000110.4
39S80.2Confident81.4Confident64 Ų6476.4 Ų76.445%0.44845%0.453SS..  trans-113.9148.5176.9175.30000110.3S37 R41 R42 G43S37-S39 PolarHBondContact O-N 3.41Å; S37-S39 VanDerWaalsContact O-N 3.15Å; S39-R41 PolarHBondContact O-N 2.93Å; S39-R41 VanDerWaalsContact O-N 3.13Å; S39-R41 PolarHBondContact OG-N 2.82Å; S39-R42 WeakPolarHBondContact O-CB 3.3Å; S39-R42 PolarHBondContact O-N 2.77Å; S39-G43 PolarHBondContact O-N 3.06Å
40L82.8Confident81.8Confident148 Ų14880.1 Ų80.178%0.77548%0.476SS*.Hα-helixtrans-48.8-38.4171.1-169.790.3000111.5R42 G43 M44L40-R42 VanDerWaalsContact C-N 3.34Å; L40-R42 PolarHBondContact O-N 3.35Å; L40-G43 PolarHBondContact O-N 3.4Å; L40-M44 WeakPolarHBondContact O-CG 3.29Å; L40-M44 PolarHBondContact O-N 3.02Å
41R83.5Confident82.5Confident157 Ų15784 Ų8459%0.59249%0.488SS*.Hα-helixtrans-59.1-40.6176.7-177.5176.8173.4-175.30.5112.6S39 M44 W45S39-R41 PolarHBondContact O-N 2.93Å; S39-R41 VanDerWaalsContact O-N 3.13Å; S39-R41 PolarHBondContact OG-N 2.82Å; R41-M44 PolarHBondContact O-N 2.94Å; R41-W45 VanDerWaalsContact O-CD1 3.25Å; R41-W45 PolarHBondContact O-N 3.26Å; R41-W45 VanDerWaalsContact O-N 3.14Å
42R84.1Confident83Confident60 Ų6081.5 Ų81.523%0.22648%0.481CS..Hα-helixtrans-70-37.3177-67.9-169.8-175.1167.27.5111.9G34 P35 G36 S37 S39 L40 M44 W45 A46G34-R42 PolarHBondContact O-NH1 2.95Å; G34-R42 PolarHBondContact O-NH2 3.09Å; P35-R42 PolarHBondContact O-NH2 3.24Å; G36-R42 VanDerWaalsContact CA-NH2 3.28Å; G36-R42 VanDerWaalsContact N-NH2 3.14Å; G36-R42 PolarHBondContact O-NH1 3.21Å; G36-R42 PolarHBondContact O-NH2 3.13Å; S37-R42 PolarHBondContact O-NH1 3.23Å; S39-R42 WeakPolarHBondContact O-CB 3.3Å; S39-R42 PolarHBondContact O-N 2.77Å; L40-R42 VanDerWaalsContact C-N 3.34Å; L40-R42 PolarHBondContact O-N 3.35Å; R42-M44 VanDerWaalsContact C-N 3.31Å; R42-M44 PolarHBondContact O-N 2.85Å; R42-W45 PolarHBondContact O-N 2.86Å; R42-A46 VanDerWaalsContact O-CB 3.28Å; R42-A46 WeakPolarHBondContact O-CB 3.47Å; R42-A46 PolarHBondContact O-N 3.33Å
43G85.6Confident83.4Confident45 Ų4582.2 Ų82.246%0.46449%0.485SS..Hα-helixtrans-57.8-44.2173.200000112.1S39 L40 A46 A47S39-G43 PolarHBondContact O-N 3.06Å; L40-G43 PolarHBondContact O-N 3.4Å; G43-A46 PolarHBondContact O-N 3.15Å; G43-A47 WeakPolarHBondContact O-CB 3.33Å; G43-A47 PolarHBondContact O-N 3.19Å
44M88.4Confident84.1Confident117 Ų11781 Ų8158%0.57649%0.49SS*.Hα-helixtrans-65.4-44.8176.9-64.9-170.5-5700112.9L40 R41 R42 A47 A48L40-M44 WeakPolarHBondContact O-CG 3.29Å; L40-M44 PolarHBondContact O-N 3.02Å; R41-M44 PolarHBondContact O-N 2.94Å; R42-M44 VanDerWaalsContact C-N 3.31Å; R42-M44 PolarHBondContact O-N 2.85Å; M44-A47 PolarHBondContact O-N 3.33Å; M44-A48 WeakPolarHBondContact O-CB 3.47Å; M44-A48 PolarHBondContact O-N 3.19Å
45W89Confident85.1Confident98 Ų9882.3 Ų82.337%0.37149%0.494SS..Hα-helixtrans-65.2-39.4176.7-82.5104.3000112.4H31 V32 R41 R42 A48 V49H31-W45 HydrophobicContact CB-CB 4.13Å; H31-W45 HydrophobicContact CB-CD2 3.85Å; H31-W45 HydrophobicContact CB-CE3 4.33Å; H31-W45 HydrophobicContact CB-CG 3.73Å; H31-W45 AromaticContact CD2-CE2 3.93Å; H31-W45 AromaticContact CD2-CH2 3.97Å; H31-W45 AromaticContact CD2-CZ2 3.91Å; V32-W45 HydrophobicContact CG2-CB 4.33Å; R41-W45 VanDerWaalsContact O-CD1 3.25Å; R41-W45 PolarHBondContact O-N 3.26Å; R41-W45 VanDerWaalsContact O-N 3.14Å; R42-W45 PolarHBondContact O-N 2.86Å; W45-A48 PolarHBondContact O-N 3.46Å; W45-V49 VanDerWaalsContact O-CG2 3.31Å; W45-V49 WeakPolarHBondContact O-CG2 3.29Å; W45-V49 PolarHBondContact O-N 3.35Å
46A88.4Confident86.4Confident34 Ų3477.3 Ų77.328%0.28146%0.459SS..Hα-helixtrans-63.6-44.3175.200000111.4V32 R42 G43 A48 V49 V50V32-A46 HydrophobicContact CG1-CB 4.34Å; V32-A46 HydrophobicContact CG2-CB 4.2Å; R42-A46 VanDerWaalsContact O-CB 3.28Å; R42-A46 WeakPolarHBondContact O-CB 3.47Å; R42-A46 PolarHBondContact O-N 3.33Å; G43-A46 PolarHBondContact O-N 3.15Å; A46-A48 PolarHBondContact O-N 3.32Å; A46-V49 PolarHBondContact O-N 3.09Å; A46-V50 WeakPolarHBondContact O-CB 3.4Å; A46-V50 VanDerWaalsContact O-CG2 3.22Å; A46-V50 WeakPolarHBondContact O-CG2 3.04Å; A46-V50 PolarHBondContact O-N 3.11Å
47A91.3Very high87.8Confident63 Ų6379.4 Ų79.452%0.52146%0.456SS..Hα-helixtrans-62.1-42.1175.700000112.2G43 M44 V50 L51G43-A47 WeakPolarHBondContact O-CB 3.33Å; G43-A47 PolarHBondContact O-N 3.19Å; M44-A47 PolarHBondContact O-N 3.33Å; A47-V50 PolarHBondContact O-N 3.12Å; A47-L51 VanDerWaalsContact O-CB 3.31Å; A47-L51 WeakPolarHBondContact O-CB 3.4Å; A47-L51 PolarHBondContact O-N 3.43Å
48A91.1Very high89.2Confident47 Ų4782.3 Ų82.339%0.38845%0.453SS..Hα-helixtrans-64.5-45.4177.300000112.3M44 W45 A46 L51 S52M44-A48 WeakPolarHBondContact O-CB 3.47Å; M44-A48 PolarHBondContact O-N 3.19Å; W45-A48 PolarHBondContact O-N 3.46Å; A46-A48 PolarHBondContact O-N 3.32Å; A48-L51 PolarHBondContact O-N 2.85Å; A48-S52 WeakPolarHBondContact O-CB 3.15Å; A48-S52 PolarHBondContact O-N 3.09Å; A48-S52 PolarHBondContact O-OG 2.78Å
49V90.9Very high90.3Very high26 Ų2676.2 Ų76.216%0.15842%0.419CS..Hα-helixtrans-62.9-44.3176.5170.40000110.9V32 W45 A46 L51 S52 V53V32-V49 HydrophobicContact CG2-CG2 4.31Å; W45-V49 VanDerWaalsContact O-CG2 3.31Å; W45-V49 WeakPolarHBondContact O-CG2 3.29Å; W45-V49 PolarHBondContact O-N 3.35Å; A46-V49 PolarHBondContact O-N 3.09Å; V49-L51 PolarHBondContact O-N 2.9Å; V49-S52 PolarHBondContact O-N 3.39Å; V49-V53 HydrophobicContact CG1-CG2 4.4Å; V49-V53 WeakPolarHBondContact O-CB 3.32Å; V49-V53 VanDerWaalsContact O-CG2 3.29Å; V49-V53 WeakPolarHBondContact O-CG2 3.17Å; V49-V53 PolarHBondContact O-N 3.09Å
50V92.8Very high91Very high101 Ų10174.4 Ų74.461%0.61241%0.406SS*.Hα-helixtrans-62.3-44.3177.2169.30000111.1A46 A47 V53 A54A46-V50 WeakPolarHBondContact O-CB 3.4Å; A46-V50 VanDerWaalsContact O-CG2 3.22Å; A46-V50 WeakPolarHBondContact O-CG2 3.04Å; A46-V50 PolarHBondContact O-N 3.11Å; A47-V50 PolarHBondContact O-N 3.12Å; V50-V53 PolarHBondContact O-N 2.98Å; V50-A54 VanDerWaalsContact O-CB 3.29Å; V50-A54 WeakPolarHBondContact O-CB 3.39Å; V50-A54 PolarHBondContact O-N 3.49Å
51L94.6Very high91.6Very high116 Ų11670 Ų7061%0.60739%0.39SS*.Hα-helixtrans-62.8-47.1177.2-17861.8000111.4A47 A48 V49 V53 A54 T55A47-L51 VanDerWaalsContact O-CB 3.31Å; A47-L51 WeakPolarHBondContact O-CB 3.4Å; A47-L51 PolarHBondContact O-N 3.43Å; A48-L51 PolarHBondContact O-N 2.85Å; V49-L51 PolarHBondContact O-N 2.9Å; L51-V53 PolarHBondContact O-N 2.67Å; L51-A54 PolarHBondContact O-N 3.23Å; L51-T55 PolarHBondContact O-N 2.85Å; L51-T55 PolarHBondContact O-OG1 2.9Å; L51-T55 VanDerWaalsContact O-OG1 3.1Å
52S93.1Very high92.2Very high39 Ų3966.3 Ų66.327%0.27338%0.38SS..Hα-helixtrans-60-43.8177.2-73.70000112.5A48 V49 F56 F445A48-S52 WeakPolarHBondContact O-CB 3.15Å; A48-S52 PolarHBondContact O-N 3.09Å; A48-S52 PolarHBondContact O-OG 2.78Å; V49-S52 PolarHBondContact O-N 3.39Å; S52-F56 VanDerWaalsContact O-CB 3.3Å; S52-F56 WeakPolarHBondContact O-CB 3.48Å; S52-F56 PolarHBondContact O-N 3.18Å; S52-F445 WeakPolarHBondContact CB-O 3.37Å; S52-F445 PolarHBondContact OG-O 3.44Å
53V91.8Very high92.7Very high48 Ų4866.6 Ų66.629%0.29138%0.381SS..Hα-helixtrans-65.8-41.8176.41720000110.9V49 V50 L51 F56 L57 I446V49-V53 HydrophobicContact CG1-CG2 4.4Å; V49-V53 WeakPolarHBondContact O-CB 3.32Å; V49-V53 VanDerWaalsContact O-CG2 3.29Å; V49-V53 WeakPolarHBondContact O-CG2 3.17Å; V49-V53 PolarHBondContact O-N 3.09Å; V50-V53 PolarHBondContact O-N 2.98Å; L51-V53 PolarHBondContact O-N 2.67Å; V53-F56 PolarHBondContact O-N 3.12Å; V53-L57 HydrophobicContact CG1-CD1 3.95Å; V53-L57 HydrophobicContact CG1-CG 4.32Å; V53-L57 WeakPolarHBondContact O-CB 3.25Å; V53-L57 VanDerWaalsContact O-CG 3.29Å; V53-L57 WeakPolarHBondContact O-CG 3.41Å; V53-L57 PolarHBondContact O-N 2.89Å; V53-I446 HydrophobicContact CG2-CD1 4.05Å; V53-I446 HydrophobicContact CG2-CG1 4.25Å
54A95.2Very high93.1Very high53 Ų5366.3 Ų66.344%0.43837%0.37SS..Hα-helixtrans-63.6-44.7177.900000112V50 L51 L57 Y58V50-A54 VanDerWaalsContact O-CB 3.29Å; V50-A54 WeakPolarHBondContact O-CB 3.39Å; V50-A54 PolarHBondContact O-N 3.49Å; L51-A54 PolarHBondContact O-N 3.23Å; A54-L57 PolarHBondContact O-N 2.96Å; A54-Y58 WeakPolarHBondContact O-CB 3.21Å; A54-Y58 PolarHBondContact O-N 3.03Å
55T94.2Very high93.5Very high44 Ų4469.5 Ų69.527%0.2738%0.376SS..Hα-helixtrans-64.4-42.8175.8-58.60000111.5L51 Y58 Q59 F445L51-T55 PolarHBondContact O-N 2.85Å; L51-T55 PolarHBondContact O-OG1 2.9Å; L51-T55 VanDerWaalsContact O-OG1 3.1Å; T55-Y58 PolarHBondContact O-N 2.78Å; T55-Q59 HydrophobicContact CG2-CG 4.49Å; T55-Q59 WeakPolarHBondContact O-CG 3.37Å; T55-Q59 PolarHBondContact O-N 3.44Å; T55-F445 HydrophobicContact CG2-CD1 4.34Å; T55-F445 HydrophobicContact CG2-CE1 3.68Å; T55-F445 HydrophobicContact CG2-CE2 4.28Å; T55-F445 HydrophobicContact CG2-CZ 3.66Å
56F94.1Very high93.7Very high24 Ų2468.5 Ų68.511%0.10537%0.373CS..Hα-helixtrans-57.7-51.9174.4167.8-108.5000111.8S52 V53 Y58 Q59 V60 Q441 M442 F445 I446S52-F56 VanDerWaalsContact O-CB 3.3Å; S52-F56 WeakPolarHBondContact O-CB 3.48Å; S52-F56 PolarHBondContact O-N 3.18Å; V53-F56 PolarHBondContact O-N 3.12Å; F56-Y58 VanDerWaalsContact C-N 3.28Å; F56-Y58 PolarHBondContact O-N 3.18Å; F56-Q59 PolarHBondContact O-N 2.92Å; F56-V60 HydrophobicContact CD2-CG2 3.87Å; F56-V60 HydrophobicContact CE1-CG2 4.22Å; F56-V60 HydrophobicContact CE2-CG2 3.38Å; F56-V60 HydrophobicContact CG-CG2 4.46Å; F56-V60 HydrophobicContact CZ-CG2 3.61Å; F56-V60 WeakPolarHBondContact O-CG2 3.42Å; F56-V60 PolarHBondContact O-N 2.65Å; F56-Q441 HydrophobicContact CD2-CB 3.96Å; F56-Q441 HydrophobicContact CE2-CB 4.16Å; F56-M442 HydrophobicContact CD2-CB 4.41Å; F56-M442 VanDerWaalsContact CE2-CA 3.4Å; F56-M442 HydrophobicContact CE2-CB 3.56Å; F56-M442 HydrophobicContact CE2-CG 4.34Å; F56-M442 HydrophobicContact CZ-CB 3.84Å; F56-M442 HydrophobicContact CZ-CG 4.19Å; F56-F445 HydrophobicContact CB-CB 4.03Å; F56-F445 HydrophobicContact CB-CD2 4.29Å; F56-F445 HydrophobicContact CB-CG 4.36Å; F56-I446 HydrophobicContact CB-CD1 4.1Å; F56-I446 HydrophobicContact CB-CG1 4.42Å; F56-I446 HydrophobicContact CD1-CD1 3.42Å; F56-I446 VanDerWaalsContact CD1-CD1 3.42Å; F56-I446 HydrophobicContact CE1-CD1 3.93Å; F56-I446 HydrophobicContact CG-CD1 3.76Å; F56-I446 HydrophobicContact CG-CG1 4.43Å
57L94.3Very high93.9Very high101 Ų10169 Ų6953%0.52937%0.367SS..Hα-helixtrans-62.2-37.4179.9-69.9175.1000112V53 A54 A61V53-L57 HydrophobicContact CG1-CD1 3.95Å; V53-L57 HydrophobicContact CG1-CG 4.32Å; V53-L57 WeakPolarHBondContact O-CB 3.25Å; V53-L57 VanDerWaalsContact O-CG 3.29Å; V53-L57 WeakPolarHBondContact O-CG 3.41Å; V53-L57 PolarHBondContact O-N 2.89Å; A54-L57 PolarHBondContact O-N 2.96Å; L57-A61 VanDerWaalsContact O-CB 3.25Å; L57-A61 WeakPolarHBondContact O-CB 3.38Å; L57-A61 PolarHBondContact O-N 2.9Å
58Y95.8Very high94Very high163 Ų16374.5 Ų74.564%0.63938%0.375SS*.Hα-helixtrans-62.4-49174.4177.7-95.1000111.6A54 T55 F56 A61 E62A54-Y58 WeakPolarHBondContact O-CB 3.21Å; A54-Y58 PolarHBondContact O-N 3.03Å; T55-Y58 PolarHBondContact O-N 2.78Å; F56-Y58 VanDerWaalsContact C-N 3.28Å; F56-Y58 PolarHBondContact O-N 3.18Å; Y58-A61 PolarHBondContact O-N 2.87Å; Y58-E62 PolarHBondContact O-N 2.79Å
59Q95.3Very high94.1Very high52 Ų5277.8 Ų77.824%0.24338%0.382CS..Hα-helixtrans-65.7-40.7179.8-69.4-170.921.600112.3T55 F56 A61 E62 R63 Q441 F445T55-Q59 HydrophobicContact CG2-CG 4.49Å; T55-Q59 WeakPolarHBondContact O-CG 3.37Å; T55-Q59 PolarHBondContact O-N 3.44Å; F56-Q59 PolarHBondContact O-N 2.92Å; Q59-A61 PolarHBondContact O-N 2.82Å; Q59-E62 WeakPolarHBondContact O-CB 3.39Å; Q59-E62 PolarHBondContact O-N 2.89Å; Q59-R63 WeakPolarHBondContact O-CG 3.47Å; Q59-R63 PolarHBondContact O-N 2.96Å; Q59-Q441 VanDerWaalsContact OE1-NE2 3.13Å; Q59-F445 VanDerWaalsContact NE2-CE2 3.35Å; Q59-F445 VanDerWaalsContact NE2-CZ 3.25Å
60V94.8Very high94.2Very high27 Ų2779.5 Ų79.516%0.16439%0.387CS..Hα-helixtrans-61.8-45.1174.3171.20000110.6F56 E62 R63 V64 I438F56-V60 HydrophobicContact CD2-CG2 3.87Å; F56-V60 HydrophobicContact CE1-CG2 4.22Å; F56-V60 HydrophobicContact CE2-CG2 3.38Å; F56-V60 HydrophobicContact CG-CG2 4.46Å; F56-V60 HydrophobicContact CZ-CG2 3.61Å; F56-V60 WeakPolarHBondContact O-CG2 3.42Å; F56-V60 PolarHBondContact O-N 2.65Å; V60-E62 VanDerWaalsContact C-N 3.28Å; V60-E62 PolarHBondContact O-N 3.22Å; V60-R63 PolarHBondContact O-N 2.86Å; V60-V64 HydrophobicContact CG1-CG2 4.19Å; V60-V64 WeakPolarHBondContact O-CB 3.43Å; V60-V64 VanDerWaalsContact O-CG2 3.24Å; V60-V64 WeakPolarHBondContact O-CG2 3.29Å; V60-V64 PolarHBondContact O-N 2.84Å; V60-I438 HydrophobicContact CG1-CD1 4.29Å; V60-I438 HydrophobicContact CG1-CG1 4.22Å; V60-I438 HydrophobicContact CG2-CG1 4.29Å; V60-I438 HydrophobicContact CG2-CG2 4.29Å
61A95.6Very high94.2Very high54 Ų5478 Ų7845%0.44637%0.374SS..Hα-helixtrans-59.9-40.7176.900000111.5L57 Y58 Q59 R65L57-A61 VanDerWaalsContact O-CB 3.25Å; L57-A61 WeakPolarHBondContact O-CB 3.38Å; L57-A61 PolarHBondContact O-N 2.9Å; Y58-A61 PolarHBondContact O-N 2.87Å; Q59-A61 PolarHBondContact O-N 2.82Å; A61-R65 WeakPolarHBondContact O-CB 3.45Å; A61-R65 WeakPolarHBondContact O-CG 3.4Å; A61-R65 PolarHBondContact O-N 2.82Å
62E95.9Very high94.2Very high80 Ų8076.1 Ų76.137%0.37436%0.362SS..Hα-helixtrans-63.9-48.3175.9-165.4-163.6144.100112.1Y58 Q59 V60 V64 R65 Y66Y58-E62 PolarHBondContact O-N 2.79Å; Q59-E62 WeakPolarHBondContact O-CB 3.39Å; Q59-E62 PolarHBondContact O-N 2.89Å; V60-E62 VanDerWaalsContact C-N 3.28Å; V60-E62 PolarHBondContact O-N 3.22Å; E62-V64 VanDerWaalsContact C-N 3.34Å; E62-V64 PolarHBondContact O-N 3.17Å; E62-R65 PolarHBondContact O-N 2.89Å; E62-Y66 PolarHBondContact O-N 2.84Å
63R94.7Very high94.2Very high66 Ų6680.2 Ų80.225%0.24938%0.377CS..Hα-helixtrans-62.7-40177.6-66.2-56.2100.71793.7112.1Q59 V60 Y66 Y67 L434 D437Q59-R63 WeakPolarHBondContact O-CG 3.47Å; Q59-R63 PolarHBondContact O-N 2.96Å; V60-R63 PolarHBondContact O-N 2.86Å; R63-Y66 PolarHBondContact O-N 3.03Å; R63-Y67 WeakPolarHBondContact O-CB 3.39Å; R63-Y67 PolarHBondContact O-N 2.93Å; R63-L434 HydrophobicContact CB-CD1 4.12Å; R63-D437 HydrophobicContact CG-CB 4.4Å
64V94.6Very high94.4Very high39 Ų3981.7 Ų81.724%0.23639%0.386CS..Hα-helixtrans-66.8-37.4175.41720000111.4V60 E62 R68 L434 I438V60-V64 HydrophobicContact CG1-CG2 4.19Å; V60-V64 WeakPolarHBondContact O-CB 3.43Å; V60-V64 VanDerWaalsContact O-CG2 3.24Å; V60-V64 WeakPolarHBondContact O-CG2 3.29Å; V60-V64 PolarHBondContact O-N 2.84Å; E62-V64 VanDerWaalsContact C-N 3.34Å; E62-V64 PolarHBondContact O-N 3.17Å; V64-R68 VanDerWaalsContact O-CG 3.31Å; V64-R68 WeakPolarHBondContact O-CG 3.41Å; V64-R68 PolarHBondContact O-N 3Å; V64-L434 HydrophobicContact CG2-CD1 4.28Å; V64-I438 HydrophobicContact CG2-CD1 4.42Å
65R95.1Very high94.3Very high184 Ų18480.6 Ų80.669%0.69438%0.377SS*.Hα-helixtrans-64.1-49.2173-76.8-173.396.898.42.6111.1A61 E62 Y67 R68 E69A61-R65 WeakPolarHBondContact O-CB 3.45Å; A61-R65 WeakPolarHBondContact O-CG 3.4Å; A61-R65 PolarHBondContact O-N 2.82Å; E62-R65 PolarHBondContact O-N 2.89Å; R65-Y67 VanDerWaalsContact C-N 3.29Å; R65-Y67 PolarHBondContact O-N 2.82Å; R65-R68 CarbonylContact O-C 3.59Å; R65-R68 WeakPolarHBondContact O-CA 3.37Å; R65-R68 WeakPolarHBondContact O-CB 3.39Å; R65-R68 PolarHBondContact O-N 2.82Å; R65-E69 PolarHBondContact O-N 2.9Å; R65-E69 VanDerWaalsContact O-N 3.12Å
66Y93.8Very high94.3Very high78 Ų7885 Ų8531%0.30640%0.397SS..Hα-helixtrans-56.9-42.6177.1-174.9-101.7000112.2E62 R63 R68 E69 H71 Y429E62-Y66 PolarHBondContact O-N 2.84Å; R63-Y66 PolarHBondContact O-N 3.03Å; Y66-R68 VanDerWaalsContact C-N 3.34Å; Y66-R68 PolarHBondContact O-N 3.31Å; Y66-E69 WeakPolarHBondContact O-CB 3.34Å; Y66-E69 PolarHBondContact O-N 2.76Å; Y66-E69 VanDerWaalsContact O-N 3.17Å; Y66-H71 AromaticContact CD2-CD2 3.62Å; Y66-H71 AromaticContact CD2-NE2 3.81Å; Y66-H71 AromaticContact CE2-CD2 3.2Å; Y66-H71 WeakPolarHBondContact CE2-CD2 3.21Å; Y66-H71 AromaticContact CE2-NE2 3.56Å; Y66-H71 AromaticContact CZ-CD2 3.52Å; Y66-Y429 HydrophobicContact CD1-CD1 4.25Å; Y66-Y429 HydrophobicContact CD1-CG 4.22Å; Y66-Y429 HydrophobicContact CE1-CD2 4.46Å; Y66-Y429 HydrophobicContact CE1-CG 4.17Å
67Y93.4Very high94.3Very high44 Ų4487.3 Ų87.317%0.17341%0.411CS..Hα-helixtrans-61.6-39.7174.7172.7-104.5000112.7R63 R65 E69 F70 Y429 M431 L434R63-Y67 WeakPolarHBondContact O-CB 3.39Å; R63-Y67 PolarHBondContact O-N 2.93Å; R65-Y67 VanDerWaalsContact C-N 3.29Å; R65-Y67 PolarHBondContact O-N 2.82Å; Y67-E69 PolarHBondContact O-N 2.91Å; Y67-F70 PolarHBondContact O-N 3.32Å; Y67-Y429 AromaticContact CD2-CD1 3.92Å; Y67-Y429 HydrophobicContact CD2-CD1 3.92Å; Y67-Y429 HydrophobicContact CG-CD1 4.39Å; Y67-M431 HydrophobicContact CD2-CE 4.46Å; Y67-M431 HydrophobicContact CD2-SD 4.24Å; Y67-M431 HydrophobicContact CE1-CE 4.46Å; Y67-M431 HydrophobicContact CE1-SD 3.8Å; Y67-M431 HydrophobicContact CE2-CE 3.27Å; Y67-M431 HydrophobicContact CE2-SD 3.36Å; Y67-M431 WeakPolarHBondContact CE2-SD 3.44Å; Y67-M431 WeakPolarHBondContact OH-CE 3.39Å; Y67-M431 PolarHBondContact OH-SD 3.27Å; Y67-L434 HydrophobicContact CD1-CD2 3.86Å; Y67-L434 HydrophobicContact CD2-CD2 4.36Å; Y67-L434 HydrophobicContact CE1-CD2 4.46Å; Y67-L434 HydrophobicContact CG-CD2 3.84Å
68R93.2Very high94.3Very high179 Ų17988.1 Ų88.168%0.67541%0.412SS*.Hα-helixtrans-72.9-10.6177.1-73177.7-177.5-172.51.8114.1V64 R65 Y66 F70V64-R68 VanDerWaalsContact O-CG 3.31Å; V64-R68 WeakPolarHBondContact O-CG 3.41Å; V64-R68 PolarHBondContact O-N 3Å; R65-R68 CarbonylContact O-C 3.59Å; R65-R68 WeakPolarHBondContact O-CA 3.37Å; R65-R68 WeakPolarHBondContact O-CB 3.39Å; R65-R68 PolarHBondContact O-N 2.82Å; Y66-R68 VanDerWaalsContact C-N 3.34Å; Y66-R68 PolarHBondContact O-N 3.31Å; R68-F70 VanDerWaalsContact C-N 3.26Å; R68-F70 WeakPolarHBondContact O-CD2 3.42Å; R68-F70 VanDerWaalsContact O-CE2 3.24Å; R68-F70 WeakPolarHBondContact O-CE2 3.39Å
69E93.6Very high94.1Very high116 Ų11685.3 Ų85.354%0.54240%0.401SS..THydrogen-bonded Turntrans-81.2-8.3171.8-69.5170.2-174.100112.2R65 Y66 Y67 H71R65-E69 PolarHBondContact O-N 2.9Å; R65-E69 VanDerWaalsContact O-N 3.12Å; Y66-E69 WeakPolarHBondContact O-CB 3.34Å; Y66-E69 PolarHBondContact O-N 2.76Å; Y66-E69 VanDerWaalsContact O-N 3.17Å; Y67-E69 PolarHBondContact O-N 2.91Å; E69-H71 VanDerWaalsContact C-N 3.3Å; E69-H71 VanDerWaalsContact CB-NE2 3.34Å; E69-H71 WeakPolarHBondContact CB-NE2 3.24Å; E69-H71 PolarHBondContact O-N 3.03Å; E69-H71 IonicContact OE2-CD2 3.83Å; E69-H71 IonicContact OE2-CE1 3.69Å; E69-H71 IonicContact OE2-NE2 2.61Å; E69-H71 PolarHBondContact OE2-NE2 3.42Å
70F92.5Very high93.8Very high61 Ų6190.8 Ų90.827%0.26843%0.426SS..THydrogen-bonded Turntrans52.940.1173.6-58.4-76.2000114.7Y67 R68 P278 W279Y67-F70 PolarHBondContact O-N 3.32Å; R68-F70 VanDerWaalsContact C-N 3.26Å; R68-F70 WeakPolarHBondContact O-CD2 3.42Å; R68-F70 VanDerWaalsContact O-CE2 3.24Å; R68-F70 WeakPolarHBondContact O-CE2 3.39Å; F70-P278 HydrophobicContact CD1-CB 4.25Å; F70-P278 HydrophobicContact CD1-CG 3.65Å; F70-P278 HydrophobicContact CD2-CB 3.88Å; F70-P278 HydrophobicContact CD2-CG 4.14Å; F70-P278 HydrophobicContact CE1-CB 4.37Å; F70-P278 HydrophobicContact CE1-CG 3.59Å; F70-P278 HydrophobicContact CE2-CB 4.01Å; F70-P278 HydrophobicContact CE2-CG 4.09Å; F70-P278 HydrophobicContact CG-CB 4.01Å; F70-P278 HydrophobicContact CG-CG 3.94Å; F70-P278 HydrophobicContact CZ-CB 4.25Å; F70-P278 HydrophobicContact CZ-CG 3.81Å; F70-W279 HydrophobicContact CB-CG 4.3Å; F70-W279 HydrophobicContact CD1-CD2 4.33Å; F70-W279 AromaticContact CD1-CE2 3.76Å; F70-W279 HydrophobicContact CD1-CZ2 4.04Å; F70-W279 AromaticContact CD1-NE1 3.69Å; F70-W279 HydrophobicContact CE1-CZ2 4.27Å
71H92.7Very high93.6Very high71 Ų7190.8 Ų90.833%0.32943%0.428SS..  trans-56142.5177.2-67-68.6000112.4Y66 E69 A428Y66-H71 AromaticContact CD2-CD2 3.62Å; Y66-H71 AromaticContact CD2-NE2 3.81Å; Y66-H71 AromaticContact CE2-CD2 3.2Å; Y66-H71 WeakPolarHBondContact CE2-CD2 3.21Å; Y66-H71 AromaticContact CE2-NE2 3.56Å; Y66-H71 AromaticContact CZ-CD2 3.52Å; E69-H71 VanDerWaalsContact C-N 3.3Å; E69-H71 VanDerWaalsContact CB-NE2 3.34Å; E69-H71 WeakPolarHBondContact CB-NE2 3.24Å; E69-H71 PolarHBondContact O-N 3.03Å; E69-H71 IonicContact OE2-CD2 3.83Å; E69-H71 IonicContact OE2-CE1 3.69Å; E69-H71 IonicContact OE2-NE2 2.61Å; E69-H71 PolarHBondContact OE2-NE2 3.42Å; H71-A428 HydrophobicContact CB-CB 3.87Å; H71-A428 VanDerWaalsContact O-CB 3.25Å; H71-A428 WeakPolarHBondContact O-CB 3.14Å; H71-A428 PolarHBondContact O-N 3.46Å
72H94.2Very high93.3Very high76 Ų7695.6 Ų95.635%0.35244%0.44SS..EExtended strand (participates in β ladder)trans-129.8157.9173.564.9-97000110.3L275 W279 Q425 K426H72-L275 HydrophobicContact CB-CD1 3.96Å; H72-W279 PolarHBondContact CE1-O 3.29Å; H72-W279 PolarHBondContact ND1-O 3.25Å; H72-Q425 PolarHBondContact NE2-NE2 2.92Å; H72-K426 CarbonylContact C-O 3.54Å; H72-K426 VanDerWaalsContact CA-O 3.24Å; H72-K426 WeakPolarHBondContact CA-O 3.32Å; H72-K426 VanDerWaalsContact CB-O 3.31Å; H72-K426 WeakPolarHBondContact CB-O 3.5Å
73Q94.2Very high93.1Very high125 Ų12599.9 Ų99.958%0.58445%0.453SS*.EExtended strand (participates in β ladder)trans-125149175.8-69.717422.800109.2Q425 K426 A428Q73-Q425 WeakPolarHBondContact O-CA 3.24Å; Q73-K426 PolarHBondContact N-O 2.89Å; Q73-K426 PolarHBondContact O-N 3.39Å; Q73-A428 HydrophobicContact CG-CB 3.81Å
74T94.7Very high93Very high79 Ų7997 Ų9749%0.48544%0.443SS..EExtended strand (participates in β ladder)trans-97.1121.8176.3-55.30000109.2V423 E424T74-V423 HydrophobicContact CG2-CG1 3.55Å; T74-E424 CarbonylContact C-O 3.52Å; T74-E424 WeakPolarHBondContact CA-O 3.36Å
75A94.4Very high93.1Very high30 Ų3098.8 Ų98.825%0.24845%0.45CS..EExtended strand (participates in β ladder)trans-95.7130.4169.200000109.4E424 K426A75-E424 HydrophobicContact CB-CG 3.75Å; A75-E424 PolarHBondContact N-O 3.2Å; A75-E424 PolarHBondContact O-N 3.46Å; A75-K426 HydrophobicContact CB-CD 4.31Å
76L94.3Very high93.1Very high135 Ų13590 Ų9071%0.70742%0.417SS*.EExtended strand (participates in β ladder)trans-111.3123.4174.7-66.4169.9000107.1V423L76-V423 HydrophobicContact CD2-CB 3.98Å; L76-V423 HydrophobicContact CD2-CG1 3.69Å; L76-V423 HydrophobicContact CD2-CG2 3.54Å
77D93.8Very high93.3Very high74 Ų7486.4 Ų86.440%0.39640%0.403SS..EExtended strand (participates in β ladder)trans-138140.3179.6-17936.9000109R79 E421 T422D77-R79 IonicContact OD2-CZ 2.78Å; D77-R79 IonicContact OD2-NE 3.99Å; D77-R79 PolarHBondContact OD2-NE 3.32Å; D77-R79 IonicContact OD2-NH2 3.98Å; D77-R79 PolarHBondContact OD2-NH2 3.39Å; D77-E421 CarbonylContact O-C 3.58Å; D77-E421 WeakPolarHBondContact O-CA 3.32Å; D77-T422 WeakPolarHBondContact CB-OG1 3.06Å; D77-T422 PolarHBondContact N-O 3.07Å; D77-T422 PolarHBondContact O-N 3.45Å; D77-T422 PolarHBondContact O-OG1 3.23Å
78E92.8Very high93.5Very high118 Ų11884.3 Ų84.355%0.55140%0.395SS*.EExtended strand (participates in β ladder)trans-112.2115.3-178.2-170.2-172.1151.900108N419E78-N419 HydrophobicContact CG-CB 4.13Å; E78-N419 PolarHBondContact OE1-ND2 2.84Å
79R91.8Very high93.7Very high104 Ų10475.8 Ų75.839%0.39236%0.362SS..EExtended strand (participates in β ladder)trans-111.4130-173.2-64.9-171.9-178.7174.59.9110.9D77 N419 Y420D77-R79 IonicContact OD2-CZ 2.78Å; D77-R79 IonicContact OD2-NE 3.99Å; D77-R79 PolarHBondContact OD2-NE 3.32Å; D77-R79 IonicContact OD2-NH2 3.98Å; D77-R79 PolarHBondContact OD2-NH2 3.39Å; R79-N419 CarbonylContact O-C 3.58Å; R79-N419 WeakPolarHBondContact O-CA 3.25Å; R79-Y420 HydrophobicContact CB-CD1 4.18Å; R79-Y420 HydrophobicContact CB-CD2 4.46Å; R79-Y420 HydrophobicContact CB-CE1 3.66Å; R79-Y420 HydrophobicContact CB-CE2 4Å; R79-Y420 WeakPolarHBondContact CD-OH 3.28Å; R79-Y420 HydrophobicContact CG-CE2 4.48Å; R79-Y420 PolarHBondContact N-O 3.38Å; R79-Y420 WeakPolarHBondContact O-CD1 3.48Å; R79-Y420 PolarHBondContact O-N 3.02Å
80E90.4Very high93.9Very high166 Ų16670.2 Ų70.278%0.77634%0.337SS*.EExtended strand (participates in β ladder)trans-74136.9172.1-165.6178.617700110.3
81S89.7Confident94.1Very high28 Ų2867.4 Ų67.420%0.19632%0.324CS..  trans-127.5142.1172.6-178.40000109.8R83 L418S81-R83 VanDerWaalsContact C-N 3.31Å; S81-R83 PolarHBondContact OG-N 3.44Å; S81-R83 PolarHBondContact OG-O 2.85Å; S81-L418 CarbonylContact C-O 3.53Å; S81-L418 WeakPolarHBondContact CA-O 3.36Å; S81-L418 PolarHBondContact N-O 3.48Å; S81-L418 WeakPolarHBondContact O-CB 3.49Å
82H88.8Confident94.3Very high155 Ų15564 Ų6472%0.71831%0.309SS*.SBendtrans-81.9-14.1173.1-62.1-56.1000113
83R92.4Very high94.5Very high169 Ų16960.8 Ų60.864%0.63829%0.294SS*.  trans-152.2124.1-177.7-173.9174.366.6178.21.3110.6S81 T200 T201 T202S81-R83 VanDerWaalsContact C-N 3.31Å; S81-R83 PolarHBondContact OG-N 3.44Å; S81-R83 PolarHBondContact OG-O 2.85Å; R83-T200 HydrophobicContact CG-CG2 4.12Å; R83-T201 WeakPolarHBondContact CA-O 3.22Å; R83-T202 HydrophobicContact CG-CG2 4.36Å
84L93.6Very high94.5Very high6 Ų655.5 Ų55.53%0.03127%0.27CS..EExtended strand (participates in β ladder)trans-111.9143.7174.1-63.8179.1000110.2T200 T201 F415 L418 Y420L84-T200 CarbonylContact O-C 3.54Å; L84-T200 VanDerWaalsContact O-CA 3.24Å; L84-T200 WeakPolarHBondContact O-CA 3.47Å; L84-T200 WeakPolarHBondContact O-CB 3.45Å; L84-T201 HydrophobicContact CB-CG2 4.26Å; L84-T201 PolarHBondContact N-O 3.47Å; L84-T201 PolarHBondContact O-N 3.5Å; L84-F415 HydrophobicContact CB-CE2 4.11Å; L84-F415 HydrophobicContact CB-CZ 4.35Å; L84-F415 HydrophobicContact CD1-CD1 4.23Å; L84-F415 HydrophobicContact CD1-CE1 4.37Å; L84-F415 HydrophobicContact CD1-CG 4.28Å; L84-L418 HydrophobicContact CD1-CD2 4.36Å; L84-L418 HydrophobicContact CG-CD2 4.42Å; L84-Y420 HydrophobicContact CD2-CD1 4.22Å
85I95.2Very high94.5Very high76 Ų7652 Ų5239%0.3925%0.248SC..EExtended strand (participates in β ladder)trans-73128.1170.2-61.9172000107L198 T200I85-L198 HydrophobicContact CG2-CB 4.08Å; I85-L198 HydrophobicContact CG2-CD1 4.11Å; I85-T200 HydrophobicContact CG1-CG2 4.1Å
86F96.7Very high94.4Very high1 Ų152.3 Ų52.30%0.00425%0.248CC..PPolyproline II helixtrans-69.6139.1176.2-164.6-102.5000108.9V89 F166 F189 N190 L199 L210 Q244 I413 F415F86-V89 HydrophobicContact CE1-CG2 3.98Å; F86-F166 HydrophobicContact CB-CE2 4.2Å; F86-F166 HydrophobicContact CB-CZ 4.13Å; F86-F166 AromaticContact CD1-CE2 3.81Å; F86-F166 HydrophobicContact CD1-CE2 3.81Å; F86-F166 HydrophobicContact CD1-CZ 4.49Å; F86-F166 AromaticContact CD2-CE2 3.88Å; F86-F166 HydrophobicContact CD2-CE2 3.88Å; F86-F166 HydrophobicContact CD2-CZ 4.47Å; F86-F166 HydrophobicContact CE1-CE2 4.13Å; F86-F166 HydrophobicContact CE2-CE2 4.2Å; F86-F166 AromaticContact CG-CE2 3.67Å; F86-F166 HydrophobicContact CG-CE2 3.67Å; F86-F166 HydrophobicContact CG-CZ 4.11Å; F86-F166 HydrophobicContact CZ-CE2 4.32Å; F86-F189 HydrophobicContact CD1-CD1 4.24Å; F86-F189 HydrophobicContact CD1-CE1 4.02Å; F86-F189 HydrophobicContact CE1-CD1 4.07Å; F86-F189 HydrophobicContact CE1-CE1 4.02Å; F86-N190 PolarHBondContact O-ND2 3.48Å; F86-L199 WeakPolarHBondContact CB-O 3.28Å; F86-L199 PolarHBondContact N-O 3.14Å; F86-L210 HydrophobicContact CE1-CB 3.85Å; F86-L210 HydrophobicContact CZ-CB 3.64Å; F86-Q244 PolarHBondContact O-NE2 2.9Å; F86-I413 HydrophobicContact CZ-CB 4.34Å; F86-I413 HydrophobicContact CZ-CG2 4.01Å; F86-I413 WeakPolarHBondContact CZ-O 3.23Å; F86-F415 HydrophobicContact CD2-CD2 4.41Å; F86-F415 HydrophobicContact CD2-CE2 4.06Å
87P96.8Very high94.3Very high1 Ų146.1 Ų46.11%0.00622%0.215CC..PPolyproline II helixtrans-65.2166.3-179.726.6-35.4000112.1N190 I241 Y375P87-N190 PolarHBondContact O-ND2 3.38Å; P87-I241 HydrophobicContact CB-CG2 3.53Å; P87-I241 HydrophobicContact CG-CG2 3.51Å; P87-Y375 HydrophobicContact CB-CD1 4.25Å; P87-Y375 HydrophobicContact CB-CD2 4.06Å; P87-Y375 HydrophobicContact CB-CE1 3.92Å; P87-Y375 HydrophobicContact CB-CE2 3.72Å; P87-Y375 HydrophobicContact CB-CG 4.31Å; P87-Y375 HydrophobicContact CG-CD1 4.46Å; P87-Y375 HydrophobicContact CG-CE1 4.33Å
88A97.1Very high94.3Very high0 Ų043.4 Ų43.40%020%0.199CC..EExtended strand (participates in β ladder)trans-75.7132.416200000108.8T188 F189 H242 Q244A88-T188 HydrophobicContact CB-CG2 3.97Å; A88-F189 WeakPolarHBondContact CA-O 3.04Å; A88-H242 PolarHBondContact N-O 3.25Å; A88-H242 PolarHBondContact O-N 3.1Å; A88-Q244 HydrophobicContact CB-CG 4.25Å
89V97.9Very high94.2Very high0 Ų041.7 Ų41.70%019%0.188CC..EExtended strand (participates in β ladder)trans-115.9105.9178.31800000108.5F86 T188 F189 L210 V239 I413F86-V89 HydrophobicContact CE1-CG2 3.98Å; V89-T188 CarbonylContact O-C 3.53Å; V89-T188 WeakPolarHBondContact O-CA 3.16Å; V89-F189 HydrophobicContact CB-CB 4.24Å; V89-F189 PolarHBondContact N-O 3.38Å; V89-F189 PolarHBondContact O-N 2.79Å; V89-L210 HydrophobicContact CB-CD2 4.23Å; V89-L210 HydrophobicContact CG1-CD2 4.32Å; V89-L210 HydrophobicContact CG2-CD2 4.25Å; V89-V239 HydrophobicContact CG1-CG1 3.76Å; V89-I413 HydrophobicContact CB-CD1 4.27Å; V89-I413 HydrophobicContact CG1-CD1 3.42Å; V89-I413 VanDerWaalsContact CG1-CD1 3.42Å; V89-I413 HydrophobicContact CG2-CD1 3.83Å; V89-I413 HydrophobicContact CG2-CG2 4.5Å
90T98.1Very high94.3Very high0 Ų038.2 Ų38.20%018%0.18CC..EExtended strand (participates in β ladder)trans-94.1128.6175.5-65.70000110.3I179 Y187 T188 V239 Q240 H242 P248 I250T90-I179 HydrophobicContact CG2-CD1 3.7Å; T90-Y187 CarbonylContact C-O 3.48Å; T90-Y187 WeakPolarHBondContact CA-O 3.49Å; T90-T188 WeakPolarHBondContact OG1-CG2 2.93Å; T90-T188 PolarHBondContact OG1-OG1 2.93Å; T90-V239 CarbonylContact O-C 3.27Å; T90-V239 VanDerWaalsContact O-CA 3.28Å; T90-V239 WeakPolarHBondContact O-CA 3.38Å; T90-Q240 PolarHBondContact N-O 3Å; T90-Q240 PolarHBondContact O-N 3.28Å; T90-H242 PolarHBondContact OG1-NE2 3.13Å; T90-P248 HydrophobicContact CG2-CB 3.9Å; T90-P248 HydrophobicContact CG2-CG 4.04Å; T90-I250 HydrophobicContact CG2-CD1 4.18Å
91L97.4Very high94.4Very high1 Ų136 Ų361%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-123.6141.9176.662.590.6000111.6L157 F176 C186 Y187 I212 L214 R238 V239L91-L157 HydrophobicContact CD1-CD1 4.18Å; L91-F176 HydrophobicContact CD2-CD1 4.29Å; L91-F176 HydrophobicContact CD2-CE1 3.69Å; L91-C186 WeakPolarHBondContact O-CA 3.25Å; L91-C186 WeakPolarHBondContact O-CB 3.4Å; L91-Y187 HydrophobicContact CD1-CD2 4.05Å; L91-Y187 PolarHBondContact N-O 3.1Å; L91-Y187 PolarHBondContact O-N 2.82Å; L91-I212 HydrophobicContact CD2-CD1 3.85Å; L91-L214 HydrophobicContact CD2-CD1 4.37Å; L91-R238 WeakPolarHBondContact CA-O 3.48Å; L91-V239 HydrophobicContact CB-CG2 4.37Å
92C97.1Very high94.4Very high1 Ų135.1 Ų35.11%0.00716%0.157CC..EExtended strand (participates in β ladder)trans-136.7136.4176.1-590000110M183 C186 I237 R238 I250C92-M183 HydrophobicContact CB-CB 4.19Å; C92-M183 HydrophobicContact CB-CE 4.03Å; C92-M183 HydrophobicContact CB-SD 3.96Å; C92-C186 HydrophobicContact CB-CB 4.07Å; C92-C186 WeakPolarHBondContact CB-SG 3.47Å; C92-C186 WeakPolarHBondContact SG-CB 3.37Å; C92-C186 CovalentContact SG-SG 2Å; C92-C186 PolarHBondContact SG-SG 2.83Å; C92-I237 CarbonylContact O-C 3.57Å; C92-I237 WeakPolarHBondContact O-CA 3.34Å; C92-I237 WeakPolarHBondContact O-CB 3.25Å; C92-R238 PolarHBondContact N-O 2.9Å; C92-R238 PolarHBondContact O-N 3.2Å; C92-I250 HydrophobicContact CB-CD1 3.92Å; C92-I250 WeakPolarHBondContact SG-CD1 3.46Å; C92-I250 VanDerWaalsContact SG-CG2 3.53Å
93N96.9Very high94.5Very high8 Ų830.1 Ų30.14%0.04314%0.137CC..EExtended strand (participates in β ladder)trans-65.9137.3164.2-162.4-44.4000108.9N95 H155 M160 V216 Y221N93-N95 PolarHBondContact O-N 3.45Å; N93-N95 PolarHBondContact OD1-N 3.38Å; N93-H155 HydrophobicContact CB-CB 4.36Å; N93-M160 HydrophobicContact CB-CE 4.04Å; N93-M160 HydrophobicContact CB-SD 4.24Å; N93-V216 PolarHBondContact ND2-O 2.75Å; N93-Y221 PolarHBondContact OD1-OH 3.02Å
94I95.1Very high94.4Very high14 Ų1423.9 Ų23.97%0.07212%0.119CC..SBendtrans-62.7-31.4175.6-70.5174.9000111P96 M183 P232 E234 G236 R238I94-P96 WeakPolarHBondContact O-CD 3.49Å; I94-M183 HydrophobicContact CG1-CE 4.17Å; I94-P232 HydrophobicContact CG2-CB 3.49Å; I94-P232 VanDerWaalsContact CG2-CB 3.49Å; I94-P232 HydrophobicContact CG2-CG 4.21Å; I94-E234 HydrophobicContact CD1-CB 3.77Å; I94-E234 HydrophobicContact CG2-CB 4.11Å; I94-E234 WeakPolarHBondContact CG2-O 3.37Å; I94-G236 WeakPolarHBondContact CB-O 3.36Å; I94-G236 WeakPolarHBondContact CG1-O 3.45Å; I94-G236 PolarHBondContact N-O 2.89Å; I94-R238 HydrophobicContact CG1-CG 4.16Å
95N94Very high94.3Very high6 Ų624.9 Ų24.93%0.03212%0.124CC..SBendtrans-78.6115.7172.2-178.547.5000110.6N93 L97 H155 E220 Y221 L222N93-N95 PolarHBondContact O-N 3.45Å; N93-N95 PolarHBondContact OD1-N 3.38Å; N95-L97 PolarHBondContact ND2-O 2.79Å; N95-L97 PolarHBondContact O-N 2.98Å; N95-L97 PolarHBondContact OD1-O 3.47Å; N95-H155 PolarHBondContact ND2-NE2 2.93Å; N95-H155 PolarHBondContact O-CD2 2.85Å; N95-H155 VanDerWaalsContact O-CD2 3.28Å; N95-E220 PolarHBondContact ND2-O 3.46Å; N95-E220 VanDerWaalsContact ND2-O 3.17Å; N95-Y221 HydrophobicContact CB-CD1 3.59Å; N95-Y221 HydrophobicContact CB-CD2 3.91Å; N95-Y221 HydrophobicContact CB-CE1 3.58Å; N95-Y221 HydrophobicContact CB-CE2 3.88Å; N95-Y221 HydrophobicContact CB-CG 3.78Å; N95-L222 PolarHBondContact OD1-N 2.99Å
96P91.8Very high94.2Very high36 Ų3621.6 Ų21.623%0.23411%0.107CC..SBendtrans-72.9-29.9-17427.8-35.1000113.1I94 Y150 M183I94-P96 WeakPolarHBondContact O-CD 3.49Å; P96-Y150 HydrophobicContact CB-CE1 4.46Å; P96-M183 WeakPolarHBondContact CA-O 3.43Å; P96-M183 WeakPolarHBondContact CB-O 3.3Å
97L93.1Very high93.8Very high5 Ų521.7 Ų21.73%0.02611%0.108CC..SBendtrans-139.4133.6-172.6-57.8172.8000111N95 L102 L114 L149 Y150 A153 L222N95-L97 PolarHBondContact ND2-O 2.79Å; N95-L97 PolarHBondContact O-N 2.98Å; N95-L97 PolarHBondContact OD1-O 3.47Å; L97-L102 HydrophobicContact CD1-CD2 4.29Å; L97-L114 HydrophobicContact CD1-CD1 4.19Å; L97-L149 HydrophobicContact CD2-CG 4.45Å; L97-Y150 HydrophobicContact CD2-CD1 3.83Å; L97-Y150 HydrophobicContact CD2-CE1 4.1Å; L97-Y150 HydrophobicContact CD2-CG 4.45Å; L97-A153 HydrophobicContact CD2-CB 3.92Å; L97-L222 HydrophobicContact CB-CD1 4.15Å; L97-L222 WeakPolarHBondContact O-CG 3.38Å
98R93.6Very high93.5Very high16 Ų1625.7 Ų25.76%0.0613%0.127CC..  trans-72.7127.2175.2-69.6-172.1-74.2-176.8-7.7111.5S100 R101 A153 G154 D159 E220R98-S100 PolarHBondContact O-N 2.77Å; R98-R101 HydrophobicContact CB-CB 4.27Å; R98-R101 HydrophobicContact CB-CG 4.03Å; R98-R101 PolarHBondContact O-N 2.8Å; R98-A153 WeakPolarHBondContact CB-O 3.35Å; R98-A153 PolarHBondContact N-O 2Å; R98-G154 PolarHBondContact NE-O 2.67Å; R98-G154 PolarHBondContact NH2-O 3.43Å; R98-G154 VanDerWaalsContact NH2-O 3.09Å; R98-D159 IonicContact CZ-OD2 2.9Å; R98-D159 IonicContact NH1-OD2 2.94Å; R98-D159 PolarHBondContact NH1-OD2 2.93Å; R98-E220 WeakPolarHBondContact CA-O 3.4Å; R98-E220 HydrophobicContact CB-CB 4.25Å; R98-E220 HydrophobicContact CG-CB 4.08Å; R98-E220 HydrophobicContact CG-CG 4.42Å
99R91.7Very high93.2Very high82 Ų8229.6 Ų29.631%0.30914%0.141SC..G310 helixtrans-46.4-46.1172.4148.2175.9177.5151.30.1112.3R101 A128 L129 E220 L222R99-R101 PolarHBondContact O-N 2.88Å; R99-A128 PolarHBondContact NH1-O 3.24Å; R99-L129 HydrophobicContact CB-CD2 4.05Å; R99-L129 HydrophobicContact CG-CB 4.28Å; R99-L129 HydrophobicContact CG-CD2 3.84Å; R99-L129 PolarHBondContact NE-O 2.8Å; R99-L129 PolarHBondContact NH2-O 2.94Å; R99-E220 WeakPolarHBondContact CB-O 3.27Å; R99-E220 PolarHBondContact N-O 3.37Å; R99-E220 PolarHBondContact N-OE2 2.84Å; R99-L222 HydrophobicContact CB-CD2 4.18Å
100S92.2Very high92.9Very high32 Ų3229.8 Ų29.822%0.22414%0.143CC..G310 helixtrans-72.7-17.1-174.769.80000113.1R98 R131 E220R98-S100 PolarHBondContact O-N 2.77Å; S100-R131 PolarHBondContact O-NH2 3.34Å; S100-E220 WeakPolarHBondContact CB-OE1 3.31Å; S100-E220 WeakPolarHBondContact CB-OE2 3.18Å; S100-E220 PolarHBondContact N-OE2 3.31Å; S100-E220 PolarHBondContact OG-OE1 2.03Å; S100-E220 PolarHBondContact OG-OE2 3.48Å
101R92.6Very high92.4Very high119 Ų11929.8 Ų29.845%0.44914%0.143SC..G310 helixtrans-96.8-5.4-177-63.2-63.7-173.81502113.9R98 R99 A153R98-R101 HydrophobicContact CB-CB 4.27Å; R98-R101 HydrophobicContact CB-CG 4.03Å; R98-R101 PolarHBondContact O-N 2.8Å; R99-R101 PolarHBondContact O-N 2.88Å; R101-A153 HydrophobicContact CB-CB 3.8Å
102L90.9Very high91.9Very high10 Ų1031.3 Ų31.35%0.05215%0.154CC..  trans-77.7132.5176.2-69.5-179.2000111.9L97 D106 L107 F125 L129 L149 L222L97-L102 HydrophobicContact CD1-CD2 4.29Å; L102-D106 HydrophobicContact CD2-CB 4.47Å; L102-L107 HydrophobicContact CB-CD1 4.22Å; L102-L107 HydrophobicContact CD1-CD1 4.3Å; L102-F125 HydrophobicContact CD1-CE1 4.49Å; L102-L129 HydrophobicContact CB-CD1 4.39Å; L102-L129 HydrophobicContact CD1-CD1 4.2Å; L102-L149 HydrophobicContact CD2-CD1 4.2Å; L102-L222 HydrophobicContact CD1-CD1 4.23Å; L102-L222 HydrophobicContact CD1-CD2 3.43Å; L102-L222 VanDerWaalsContact CD1-CD2 3.43Å; L102-L222 HydrophobicContact CG-CD2 4.42Å
103T90.4Very high91.4Very high49 Ų4931.9 Ų31.930%0.30116%0.158SC..  trans-109.6161.3177.270.70000111.5N105 D106 L107T103-N105 PolarHBondContact O-N 3.04Å; T103-N105 PolarHBondContact OG1-N 3.3Å; T103-D106 WeakPolarHBondContact CB-OD2 3.34Å; T103-D106 PolarHBondContact N-OD2 2.8Å; T103-D106 PolarHBondContact O-N 2.81Å; T103-D106 VanDerWaalsContact O-N 3.09Å; T103-D106 PolarHBondContact OG1-N 3.4Å; T103-D106 PolarHBondContact OG1-OD1 3.32Å; T103-D106 PolarHBondContact OG1-OD2 3.45Å; T103-L107 PolarHBondContact O-N 2.75Å; T103-L107 VanDerWaalsContact O-N 3.13Å
104P90.8Very high90.8Very high38 Ų3832.6 Ų32.625%0.24716%0.162CC..Hα-helixtrans-57.1-30.9172.3-25.534.7000113.6H108 L126 A134 F138P104-H108 PolarHBondContact O-N 2.75Å; P104-L126 HydrophobicContact CB-CD1 4.21Å; P104-L126 HydrophobicContact CG-CD1 4.06Å; P104-A134 HydrophobicContact CB-CB 3.99Å; P104-F138 HydrophobicContact CB-CE2 4.29Å; P104-F138 HydrophobicContact CB-CZ 4.2Å
105N91.1Very high90.3Very high28 Ų2833.7 Ų33.715%0.1517%0.168CC..Hα-helixtrans-66.9-41.7175.4-170.971.5000112T103 L107 H108 W109 F138 P140 S141T103-N105 PolarHBondContact O-N 3.04Å; T103-N105 PolarHBondContact OG1-N 3.3Å; N105-L107 VanDerWaalsContact C-N 3.34Å; N105-H108 PolarHBondContact O-N 2.83Å; N105-W109 VanDerWaalsContact O-CD1 3.23Å; N105-W109 PolarHBondContact O-N 2.89Å; N105-F138 HydrophobicContact CB-CZ 4.03Å; N105-P140 WeakPolarHBondContact OD1-CA 3.4Å; N105-S141 PolarHBondContact OD1-N 3.41Å
106D91.9Very high89.9Confident6 Ų634.1 Ų34.13%0.03217%0.174CC..Hα-helixtrans-65.6-41.8178.4-51.9-43000110.9L102 T103 H108 W109 A110 F144 L149 R152L102-D106 HydrophobicContact CD2-CB 4.47Å; T103-D106 WeakPolarHBondContact CB-OD2 3.34Å; T103-D106 PolarHBondContact N-OD2 2.8Å; T103-D106 PolarHBondContact O-N 2.81Å; T103-D106 VanDerWaalsContact O-N 3.09Å; T103-D106 PolarHBondContact OG1-N 3.4Å; T103-D106 PolarHBondContact OG1-OD1 3.32Å; T103-D106 PolarHBondContact OG1-OD2 3.45Å; D106-H108 VanDerWaalsContact C-N 3.34Å; D106-H108 PolarHBondContact O-N 2.94Å; D106-W109 PolarHBondContact O-N 2.63Å; D106-A110 WeakPolarHBondContact O-CA 3.34Å; D106-A110 WeakPolarHBondContact O-CB 3.36Å; D106-A110 PolarHBondContact O-N 2.84Å; D106-F144 HydrophobicContact CB-CE2 4.25Å; D106-L149 HydrophobicContact CB-CD1 3.94Å; D106-R152 IonicContact OD1-CZ 3.4Å; D106-R152 IonicContact OD1-NH2 3.86Å; D106-R152 PolarHBondContact OD1-NH2 3.32Å; D106-R152 IonicContact OD2-CZ 3.06Å; D106-R152 IonicContact OD2-NH2 3.02Å; D106-R152 PolarHBondContact OD2-NH2 2.76Å
107L90.1Very high89.6Confident3 Ų332.4 Ų32.42%0.01616%0.163CC..Hα-helixtrans-62.7-41175.1-10180.1000112.2L102 T103 N105 W109 G111 L117 H122 F125 L126L102-L107 HydrophobicContact CB-CD1 4.22Å; L102-L107 HydrophobicContact CD1-CD1 4.3Å; T103-L107 PolarHBondContact O-N 2.75Å; T103-L107 VanDerWaalsContact O-N 3.13Å; N105-L107 VanDerWaalsContact C-N 3.34Å; L107-W109 VanDerWaalsContact C-N 3.31Å; L107-W109 PolarHBondContact O-N 3.32Å; L107-G111 VanDerWaalsContact O-CA 3.28Å; L107-G111 WeakPolarHBondContact O-CA 3.45Å; L107-G111 PolarHBondContact O-N 3.36Å; L107-L117 HydrophobicContact CD2-CD1 4.47Å; L107-H122 HydrophobicContact CD2-CB 4.16Å; L107-H122 PolarHBondContact O-CE1 3.22Å; L107-H122 PolarHBondContact O-NE2 3.03Å; L107-F125 HydrophobicContact CD1-CD1 4.47Å; L107-F125 HydrophobicContact CD1-CE1 4.46Å; L107-F125 HydrophobicContact CD2-CB 4.38Å; L107-F125 HydrophobicContact CD2-CD1 3.64Å; L107-F125 HydrophobicContact CD2-CE1 4.36Å; L107-F125 HydrophobicContact CD2-CG 4.38Å; L107-F125 HydrophobicContact CG-CD1 4.48Å; L107-L126 HydrophobicContact CD1-CD2 4.36Å; L107-L126 HydrophobicContact CD2-CD2 4.21Å; L107-L126 HydrophobicContact CD2-CG 4.04Å
108H90Very high89.4Confident86 Ų8635.4 Ų35.440%0.39818%0.179SC..Hα-helixtrans-56.8-45.2178-179.580.8000112.1P104 N105 D106 F138 P140P104-H108 PolarHBondContact O-N 2.75Å; N105-H108 PolarHBondContact O-N 2.83Å; D106-H108 VanDerWaalsContact C-N 3.34Å; D106-H108 PolarHBondContact O-N 2.94Å; H108-F138 HydrophobicContact CB-CE1 4.44Å; H108-P140 HydrophobicContact CB-CB 4.31Å; H108-P140 WeakPolarHBondContact CD2-CB 3.38Å; H108-P140 WeakPolarHBondContact NE2-CG 3.28Å
109W90.9Very high89.1Confident81 Ų8139.3 Ų39.331%0.30721%0.206SC..Hα-helixtrans-87.2-44.3-175.9-68.8112.2000113.7N105 D106 L107 P140 S141 F144 P344N105-W109 VanDerWaalsContact O-CD1 3.23Å; N105-W109 PolarHBondContact O-N 2.89Å; D106-W109 PolarHBondContact O-N 2.63Å; L107-W109 VanDerWaalsContact C-N 3.31Å; L107-W109 PolarHBondContact O-N 3.32Å; W109-P140 HydrophobicContact CZ2-CB 4.3Å; W109-P140 HydrophobicContact CZ2-CG 4.49Å; W109-S141 PolarHBondContact NE1-O 3.47Å; W109-F144 HydrophobicContact CB-CB 4.2Å; W109-F144 HydrophobicContact CB-CD1 3.69Å; W109-F144 HydrophobicContact CB-CD2 3.8Å; W109-F144 HydrophobicContact CB-CE1 4.03Å; W109-F144 HydrophobicContact CB-CE2 4.12Å; W109-F144 HydrophobicContact CB-CG 3.59Å; W109-F144 HydrophobicContact CB-CZ 4.23Å; W109-F144 VanDerWaalsContact CD1-CB 3.43Å; W109-F144 AromaticContact CD1-CD2 3.81Å; W109-F144 AromaticContact CD1-CG 3.65Å; W109-F144 HydrophobicContact CD2-CB 4.29Å; W109-F144 HydrophobicContact CG-CB 3.73Å; W109-F144 HydrophobicContact CG-CD1 4.13Å; W109-F144 HydrophobicContact CG-CD2 4.07Å; W109-F144 AromaticContact CG-CG 3.68Å; W109-F144 HydrophobicContact CG-CG 3.68Å; W109-P344 HydrophobicContact CB-CG 4.29Å; W109-P344 WeakPolarHBondContact O-CB 3.42Å; W109-P344 WeakPolarHBondContact O-CG 3.02Å
110A90.6Very high88.9Confident4 Ų440 Ų403%0.03323%0.23CC..Hα-helixtrans-108.4-10.6-170.300000114.5D106 S112 A113 L114 F144 M146 L149 P344D106-A110 WeakPolarHBondContact O-CA 3.34Å; D106-A110 WeakPolarHBondContact O-CB 3.36Å; D106-A110 PolarHBondContact O-N 2.84Å; A110-S112 PolarHBondContact O-N 2.96Å; A110-A113 PolarHBondContact O-N 2.9Å; A110-A113 VanDerWaalsContact O-N 3.09Å; A110-L114 HydrophobicContact CB-CD1 3.88Å; A110-L114 HydrophobicContact CB-CG 4.19Å; A110-L114 PolarHBondContact O-N 3.28Å; A110-F144 HydrophobicContact CB-CE1 4.35Å; A110-F144 HydrophobicContact CB-CE2 4.45Å; A110-F144 HydrophobicContact CB-CZ 3.73Å; A110-M146 HydrophobicContact CB-SD 4.24Å; A110-L149 HydrophobicContact CB-CD2 4.07Å; A110-P344 HydrophobicContact CB-CG 4.27Å
111G89.1Confident88.8Confident1 Ų140.8 Ų40.81%0.0123%0.23CC..Hα-helixtrans-56.1-45.4-176.900000113.3L107 L115 G116 L117L107-G111 VanDerWaalsContact O-CA 3.28Å; L107-G111 WeakPolarHBondContact O-CA 3.45Å; L107-G111 PolarHBondContact O-N 3.36Å; G111-L115 CarbonylContact O-C 3.58Å; G111-L115 WeakPolarHBondContact O-CA 3.26Å; G111-L115 WeakPolarHBondContact O-CB 3.16Å; G111-L115 PolarHBondContact O-N 3.35Å; G111-G116 PolarHBondContact O-N 2.84Å; G111-G116 VanDerWaalsContact O-N 3.13Å; G111-L117 PolarHBondContact O-N 3.25Å
112S86.9Confident88.7Confident32 Ų3236.4 Ų36.422%0.22421%0.214CC..Hα-helixtrans-73.4-27.7178.2-168.10000113.7A110 L117 K348A110-S112 PolarHBondContact O-N 2.96Å; S112-L117 WeakPolarHBondContact CA-O 3.46Å; S112-L117 WeakPolarHBondContact CB-O 3.24Å; S112-L117 PolarHBondContact N-O 2.78Å; S112-K348 PolarHBondContact O-NZ 2.81Å; S112-K348 PolarHBondContact OG-NZ 3.17Å
113A85.4Confident88.5Confident13 Ų1337.7 Ų37.711%0.10723%0.226CC..Hα-helixtrans-86.3-38.9-175.200000113.1A110 P344 K348A110-A113 PolarHBondContact O-N 2.9Å; A110-A113 VanDerWaalsContact O-N 3.09Å; A113-P344 HydrophobicContact CB-CB 3.88Å; A113-P344 VanDerWaalsContact CB-O 3.28Å; A113-P344 WeakPolarHBondContact CB-O 3.07Å; A113-K348 HydrophobicContact CB-CB 4.13Å
114L85.1Confident88.5Confident24 Ų2436.9 Ų36.913%0.12623%0.225CC..Hα-helixtrans-99.9-34.1-177-63.1-179000113.3L97 A110 M146 L149 Y347L97-L114 HydrophobicContact CD1-CD1 4.19Å; A110-L114 HydrophobicContact CB-CD1 3.88Å; A110-L114 HydrophobicContact CB-CG 4.19Å; A110-L114 PolarHBondContact O-N 3.28Å; L114-M146 HydrophobicContact CD1-CE 3.9Å; L114-M146 HydrophobicContact CD1-SD 4.44Å; L114-M146 HydrophobicContact CD2-CE 3.75Å; L114-M146 HydrophobicContact CG-CE 4.09Å; L114-L149 HydrophobicContact CD1-CD2 3.89Å; L114-Y347 HydrophobicContact CD2-CE1 4.18Å
115L84.8Confident88.4Confident37 Ų3735.2 Ų35.219%0.19421%0.214CC..SBendtrans-113.3-3.4-172.5-54.8176.1000112.6G111 L117 F125 L222 N228G111-L115 CarbonylContact O-C 3.58Å; G111-L115 WeakPolarHBondContact O-CA 3.26Å; G111-L115 WeakPolarHBondContact O-CB 3.16Å; G111-L115 PolarHBondContact O-N 3.35Å; L115-L117 HydrophobicContact CB-CD1 3.74Å; L115-L117 HydrophobicContact CB-CG 3.74Å; L115-L117 HydrophobicContact CD1-CD1 3.76Å; L115-L117 HydrophobicContact CG-CD1 4.41Å; L115-L117 PolarHBondContact O-N 2.95Å; L115-F125 HydrophobicContact CD1-CE1 3.95Å; L115-F125 HydrophobicContact CD1-CZ 3.81Å; L115-L222 HydrophobicContact CD1-CD1 4.43Å; L115-L222 HydrophobicContact CD2-CD1 3.66Å; L115-N228 PolarHBondContact O-ND2 2.93Å
116G84.5Confident88.3Confident15 Ų1534.1 Ų34.116%0.15521%0.208CC..  trans61.521.4-175.100000113.9G111 R226G111-G116 PolarHBondContact O-N 2.84Å; G111-G116 VanDerWaalsContact O-N 3.13Å; G116-R226 WeakPolarHBondContact O-CD 3.3Å; G116-R226 PolarHBondContact O-NH1 3.26Å
117L86.8Confident88.1Confident0 Ų041.6 Ų41.60%024%0.235CC..  trans-82.8134-177.6-67.1171.3000111.4L107 G111 S112 L115 F125 W225L107-L117 HydrophobicContact CD2-CD1 4.47Å; G111-L117 PolarHBondContact O-N 3.25Å; S112-L117 WeakPolarHBondContact CA-O 3.46Å; S112-L117 WeakPolarHBondContact CB-O 3.24Å; S112-L117 PolarHBondContact N-O 2.78Å; L115-L117 HydrophobicContact CB-CD1 3.74Å; L115-L117 HydrophobicContact CB-CG 3.74Å; L115-L117 HydrophobicContact CD1-CD1 3.76Å; L115-L117 HydrophobicContact CG-CD1 4.41Å; L115-L117 PolarHBondContact O-N 2.95Å; L117-F125 HydrophobicContact CD1-CB 4.13Å; L117-F125 HydrophobicContact CD1-CD1 3.8Å; L117-F125 HydrophobicContact CD1-CD2 3.58Å; L117-F125 HydrophobicContact CD1-CE1 3.96Å; L117-F125 HydrophobicContact CD1-CE2 3.82Å; L117-F125 HydrophobicContact CD1-CG 3.56Å; L117-F125 HydrophobicContact CD1-CZ 3.99Å; L117-F125 HydrophobicContact CD2-CD2 3.9Å; L117-F125 HydrophobicContact CD2-CE2 4.41Å; L117-F125 HydrophobicContact CD2-CG 4.4Å; L117-F125 HydrophobicContact CG-CD2 4.38Å; L117-W225 HydrophobicContact CD2-CB 3.9Å; L117-W225 HydrophobicContact CD2-CD2 4.32Å; L117-W225 HydrophobicContact CD2-CG 3.58Å
118D88Confident88Confident67 Ų6743.5 Ų43.536%0.35825%0.252SS..  trans-81.8150.5172.4-67.5-43.9000111A120 E121 H122 R226D118-A120 PolarHBondContact O-N 3.18Å; D118-E121 HydrophobicContact CB-CG 4.38Å; D118-E121 PolarHBondContact N-OE2 2.84Å; D118-E121 WeakPolarHBondContact O-CB 3.39Å; D118-E121 PolarHBondContact O-N 3.5Å; D118-H122 PolarHBondContact O-CD2 3.04Å; D118-H122 PolarHBondContact O-N 3Å; D118-R226 IonicContact OD2-CZ 3.94Å; D118-R226 IonicContact OD2-NH1 3.1Å; D118-R226 PolarHBondContact OD2-NH1 3.14Å; D118-R226 VanDerWaalsContact OD2-NH1 3.14Å; D118-R226 IonicContact OD2-NH2 3Å; D118-R226 PolarHBondContact OD2-NH2 3.27Å
119P87.5Confident87.8Confident98 Ų9839.6 Ų39.664%0.63623%0.234SC*.THydrogen-bonded Turntrans-54.5-31.1-179.2-28.735.7000114.6E121 H122P119-E121 VanDerWaalsContact C-N 3.26Å; P119-E121 PolarHBondContact O-N 2.97Å; P119-H122 PolarHBondContact O-N 3.42Å
120A88.2Confident87.5Confident97 Ų9738.6 Ų38.680%0.80225%0.248SC*.THydrogen-bonded Turntrans-67.2-26.5176.600000113D118D118-A120 PolarHBondContact O-N 3.18Å
121E89.6Confident87.2Confident49 Ų4943.5 Ų43.523%0.22927%0.266CS..THydrogen-bonded Turntrans-89.2-15.9-176.6-60.4174.113600112.4D118 P119 A123 A124 F125 R226D118-E121 HydrophobicContact CB-CG 4.38Å; D118-E121 PolarHBondContact N-OE2 2.84Å; D118-E121 WeakPolarHBondContact O-CB 3.39Å; D118-E121 PolarHBondContact O-N 3.5Å; P119-E121 VanDerWaalsContact C-N 3.26Å; P119-E121 PolarHBondContact O-N 2.97Å; E121-A123 VanDerWaalsContact C-N 3.25Å; E121-A123 PolarHBondContact O-N 3.16Å; E121-A123 VanDerWaalsContact O-N 3.14Å; E121-A124 WeakPolarHBondContact O-CB 3.34Å; E121-A124 PolarHBondContact O-N 3.07Å; E121-F125 PolarHBondContact O-N 3.32Å; E121-R226 IonicContact OE1-CZ 3.35Å; E121-R226 IonicContact OE1-NE 3.77Å; E121-R226 IonicContact OE1-NH2 3.38Å; E121-R226 PolarHBondContact OE1-NH2 3.2Å; E121-R226 IonicContact OE2-CZ 3.89Å; E121-R226 IonicContact OE2-NE 3.06Å; E121-R226 IonicContact OE2-NH2 3.57Å; E121-R226 PolarHBondContact OE2-NH2 2.77Å
122H89.2Confident87Confident26 Ų2648 Ų4812%0.1230%0.295CS..Hα-helixtrans-53.1-41.3-176.2-69.3-177.4000113L107 D118 P119 A124 F125 L126L107-H122 HydrophobicContact CD2-CB 4.16Å; L107-H122 PolarHBondContact O-CE1 3.22Å; L107-H122 PolarHBondContact O-NE2 3.03Å; D118-H122 PolarHBondContact O-CD2 3.04Å; D118-H122 PolarHBondContact O-N 3Å; P119-H122 PolarHBondContact O-N 3.42Å; H122-A124 VanDerWaalsContact C-N 3.35Å; H122-A124 PolarHBondContact O-N 3.49Å; H122-F125 PolarHBondContact O-N 2.86Å; H122-L126 WeakPolarHBondContact O-CG 3.41Å; H122-L126 PolarHBondContact O-N 2.93Å
123A87.8Confident86.9Confident37 Ų3749.5 Ų49.531%0.30630%0.304SS..Hα-helixtrans-69-32179.900000113E121 R127 P133E121-A123 VanDerWaalsContact C-N 3.25Å; E121-A123 PolarHBondContact O-N 3.16Å; E121-A123 VanDerWaalsContact O-N 3.14Å; A123-R127 WeakPolarHBondContact O-CG 3.22Å; A123-R127 PolarHBondContact O-N 2.77Å; A123-R127 PolarHBondContact O-NE 2.9Å; A123-P133 HydrophobicContact CB-CB 4.23Å
124A89.8Confident86.9Confident33 Ų3350.9 Ų50.927%0.27332%0.315SS..Hα-helixtrans-75.7-40.9175.400000110.8E121 H122 R127 A128 W225E121-A124 WeakPolarHBondContact O-CB 3.34Å; E121-A124 PolarHBondContact O-N 3.07Å; H122-A124 VanDerWaalsContact C-N 3.35Å; H122-A124 PolarHBondContact O-N 3.49Å; A124-R127 WeakPolarHBondContact O-CB 3.14Å; A124-R127 PolarHBondContact O-N 2.92Å; A124-A128 PolarHBondContact O-N 2.81Å; A124-W225 HydrophobicContact CB-CH2 3.99Å; A124-W225 HydrophobicContact CB-CZ2 3.96Å
125F89.1Confident87Confident3 Ų353.6 Ų53.61%0.01333%0.334CS..Hα-helixtrans-62.1-47.5176.4-171.2-94.8000112L102 L107 L115 L117 E121 H122 R127 A128 L129 P223 W225L102-F125 HydrophobicContact CD1-CE1 4.49Å; L107-F125 HydrophobicContact CD1-CD1 4.47Å; L107-F125 HydrophobicContact CD1-CE1 4.46Å; L107-F125 HydrophobicContact CD2-CB 4.38Å; L107-F125 HydrophobicContact CD2-CD1 3.64Å; L107-F125 HydrophobicContact CD2-CE1 4.36Å; L107-F125 HydrophobicContact CD2-CG 4.38Å; L107-F125 HydrophobicContact CG-CD1 4.48Å; L115-F125 HydrophobicContact CD1-CE1 3.95Å; L115-F125 HydrophobicContact CD1-CZ 3.81Å; L117-F125 HydrophobicContact CD1-CB 4.13Å; L117-F125 HydrophobicContact CD1-CD1 3.8Å; L117-F125 HydrophobicContact CD1-CD2 3.58Å; L117-F125 HydrophobicContact CD1-CE1 3.96Å; L117-F125 HydrophobicContact CD1-CE2 3.82Å; L117-F125 HydrophobicContact CD1-CG 3.56Å; L117-F125 HydrophobicContact CD1-CZ 3.99Å; L117-F125 HydrophobicContact CD2-CD2 3.9Å; L117-F125 HydrophobicContact CD2-CE2 4.41Å; L117-F125 HydrophobicContact CD2-CG 4.4Å; L117-F125 HydrophobicContact CG-CD2 4.38Å; E121-F125 PolarHBondContact O-N 3.32Å; H122-F125 PolarHBondContact O-N 2.86Å; F125-R127 VanDerWaalsContact C-N 3.26Å; F125-R127 PolarHBondContact O-N 3.41Å; F125-A128 WeakPolarHBondContact O-CA 3.23Å; F125-A128 WeakPolarHBondContact O-CB 3.46Å; F125-A128 PolarHBondContact O-N 3.12Å; F125-L129 HydrophobicContact CD1-CD1 3.82Å; F125-L129 HydrophobicContact CD1-CG 4.02Å; F125-L129 HydrophobicContact CE1-CD1 3.57Å; F125-L129 HydrophobicContact CE1-CD2 4.07Å; F125-L129 HydrophobicContact CE1-CG 3.89Å; F125-L129 HydrophobicContact CZ-CD2 4.26Å; F125-L129 WeakPolarHBondContact O-CG 3.47Å; F125-L129 PolarHBondContact O-N 2.67Å; F125-P223 HydrophobicContact CD2-CG 4.4Å; F125-P223 HydrophobicContact CE2-CG 3.76Å; F125-P223 HydrophobicContact CZ-CG 4.07Å; F125-W225 HydrophobicContact CD2-CB 4.28Å; F125-W225 AromaticContact CD2-CD2 3.93Å; F125-W225 HydrophobicContact CD2-CD2 3.93Å; F125-W225 AromaticContact CD2-CE3 3.74Å; F125-W225 HydrophobicContact CD2-CE3 3.74Å; F125-W225 HydrophobicContact CD2-CG 4.19Å; F125-W225 HydrophobicContact CD2-CZ3 4.37Å; F125-W225 HydrophobicContact CE2-CB 4.27Å; F125-W225 HydrophobicContact CE2-CE3 4.41Å
126L88.5Confident86.9Confident4 Ų458.4 Ų58.42%0.02137%0.368CS..Hα-helixtrans-57.7-39.8175.3-73.4171000111.8P104 L107 H122 A128 L129 G130 R131P104-L126 HydrophobicContact CB-CD1 4.21Å; P104-L126 HydrophobicContact CG-CD1 4.06Å; L107-L126 HydrophobicContact CD1-CD2 4.36Å; L107-L126 HydrophobicContact CD2-CD2 4.21Å; L107-L126 HydrophobicContact CD2-CG 4.04Å; H122-L126 WeakPolarHBondContact O-CG 3.41Å; H122-L126 PolarHBondContact O-N 2.93Å; L126-A128 PolarHBondContact O-N 2.78Å; L126-L129 HydrophobicContact CD2-CD1 4.42Å; L126-L129 CarbonylContact O-C 3.44Å; L126-L129 WeakPolarHBondContact O-CA 3.49Å; L126-L129 WeakPolarHBondContact O-CB 3.19Å; L126-L129 PolarHBondContact O-N 3.17Å; L126-G130 PolarHBondContact O-N 3.38Å; L126-R131 CarbonylContact C-O 3.47Å; L126-R131 VanDerWaalsContact C-O 3.29Å; L126-R131 HydrophobicContact CB-CB 4.41Å; L126-R131 HydrophobicContact CD2-CB 4.2Å; L126-R131 WeakPolarHBondContact O-CA 3.22Å; L126-R131 PolarHBondContact O-N 3.49Å
127R88.9Confident86.7Confident163 Ų16361.2 Ų61.262%0.61540%0.397SS*.Hα-helixtrans-63-40.6174.7-80.6-180-90.8150.3-13.8112.3A123 A124 F125 L129 G130A123-R127 WeakPolarHBondContact O-CG 3.22Å; A123-R127 PolarHBondContact O-N 2.77Å; A123-R127 PolarHBondContact O-NE 2.9Å; A124-R127 WeakPolarHBondContact O-CB 3.14Å; A124-R127 PolarHBondContact O-N 2.92Å; F125-R127 VanDerWaalsContact C-N 3.26Å; F125-R127 PolarHBondContact O-N 3.41Å; R127-L129 VanDerWaalsContact C-N 3.29Å; R127-L129 PolarHBondContact O-N 2.96Å; R127-G130 WeakPolarHBondContact O-CA 3.48Å; R127-G130 PolarHBondContact O-N 3.08Å
128A87Confident86.7Confident44 Ų4464.6 Ų64.636%0.36441%0.412SS..Hα-helixtrans-64.8-32.9174.200000112.5R99 A124 F125 L126 G130 W225R99-A128 PolarHBondContact NH1-O 3.24Å; A124-A128 PolarHBondContact O-N 2.81Å; F125-A128 WeakPolarHBondContact O-CA 3.23Å; F125-A128 WeakPolarHBondContact O-CB 3.46Å; F125-A128 PolarHBondContact O-N 3.12Å; L126-A128 PolarHBondContact O-N 2.78Å; A128-G130 PolarHBondContact O-N 2.92Å; A128-W225 HydrophobicContact CB-CZ3 3.77Å
129L85.6Confident86.5Confident4 Ų469.4 Ų69.42%0.02143%0.434CS..THydrogen-bonded Turntrans-71.8-1.1169.4-60.4-177.1000113.7R99 L102 F125 L126 R127 R131 L222 P223R99-L129 HydrophobicContact CB-CD2 4.05Å; R99-L129 HydrophobicContact CG-CB 4.28Å; R99-L129 HydrophobicContact CG-CD2 3.84Å; R99-L129 PolarHBondContact NE-O 2.8Å; R99-L129 PolarHBondContact NH2-O 2.94Å; L102-L129 HydrophobicContact CB-CD1 4.39Å; L102-L129 HydrophobicContact CD1-CD1 4.2Å; F125-L129 HydrophobicContact CD1-CD1 3.82Å; F125-L129 HydrophobicContact CD1-CG 4.02Å; F125-L129 HydrophobicContact CE1-CD1 3.57Å; F125-L129 HydrophobicContact CE1-CD2 4.07Å; F125-L129 HydrophobicContact CE1-CG 3.89Å; F125-L129 HydrophobicContact CZ-CD2 4.26Å; F125-L129 WeakPolarHBondContact O-CG 3.47Å; F125-L129 PolarHBondContact O-N 2.67Å; L126-L129 HydrophobicContact CD2-CD1 4.42Å; L126-L129 CarbonylContact O-C 3.44Å; L126-L129 WeakPolarHBondContact O-CA 3.49Å; L126-L129 WeakPolarHBondContact O-CB 3.19Å; L126-L129 PolarHBondContact O-N 3.17Å; R127-L129 VanDerWaalsContact C-N 3.29Å; R127-L129 PolarHBondContact O-N 2.96Å; L129-R131 HydrophobicContact CB-CB 4.45Å; L129-R131 HydrophobicContact CB-CG 4.16Å; L129-R131 PolarHBondContact O-N 3.34Å; L129-L222 HydrophobicContact CD2-CD2 4.38Å; L129-P223 HydrophobicContact CD2-CG 3.77Å
130G84.6Confident86.4Confident59 Ų5966.8 Ų66.861%0.60842%0.417SS*.THydrogen-bonded Turntrans65.423.3-173.500000113.1L126 R127 A128L126-G130 PolarHBondContact O-N 3.38Å; R127-G130 WeakPolarHBondContact O-CA 3.48Å; R127-G130 PolarHBondContact O-N 3.08Å; A128-G130 PolarHBondContact O-N 2.92Å
131R84.5Confident86.3Confident108 Ų10864.3 Ų64.341%0.40839%0.394SS..  trans-104.7145178.3-69.4-68.3-172.8-172.4-4.4110.3S100 L126 L129S100-R131 PolarHBondContact O-NH2 3.34Å; L126-R131 CarbonylContact C-O 3.47Å; L126-R131 VanDerWaalsContact C-O 3.29Å; L126-R131 HydrophobicContact CB-CB 4.41Å; L126-R131 HydrophobicContact CD2-CB 4.2Å; L126-R131 WeakPolarHBondContact O-CA 3.22Å; L126-R131 PolarHBondContact O-N 3.49Å; L129-R131 HydrophobicContact CB-CB 4.45Å; L129-R131 HydrophobicContact CB-CG 4.16Å; L129-R131 PolarHBondContact O-N 3.34Å
132P85.1Confident85.9Confident96 Ų9667.4 Ų67.462%0.62342%0.418SS*.PPolyproline II helixtrans-63.3145.3172.327.7-33.3000109.8
133P85.8Confident85.7Confident63 Ų6371.5 Ų71.541%0.40945%0.445SS..PPolyproline II helixtrans-63166.9171.729.6-34.8000110.6A123A123-P133 HydrophobicContact CB-CB 4.23Å
134A85.4Confident85.8Confident41 Ų4171.3 Ų71.334%0.33944%0.438SS..PPolyproline II helixtrans-54137.7174.300000110.7P104 F138P104-A134 HydrophobicContact CB-CB 3.99Å; A134-F138 HydrophobicContact CB-CB 3.82Å; A134-F138 HydrophobicContact CB-CD1 4.03Å; A134-F138 HydrophobicContact CB-CD2 4.4Å; A134-F138 HydrophobicContact CB-CG 3.82Å
135P85.6Confident85.9Confident81 Ų8172.4 Ų72.453%0.52644%0.439SS..PPolyproline II helixtrans-62153.3178.325.2-33.1000111.2G137 F138P135-G137 PolarHBondContact O-N 2.83Å; P135-F138 HydrophobicContact CG-CB 4.29Å; P135-F138 HydrophobicContact CG-CD2 4.48Å; P135-F138 VanDerWaalsContact O-CB 3.25Å; P135-F138 WeakPolarHBondContact O-CB 3.38Å; P135-F138 PolarHBondContact O-N 3.38Å
136P82.5Confident86Confident138 Ų13872.5 Ų72.590%0.89644%0.439SS*.THydrogen-bonded Turntrans-55.5129.7173.3-21.432000110.6
137G81.4Confident86.2Confident74 Ų7473.6 Ų73.676%0.76345%0.449SS*.THydrogen-bonded Turntrans79.514.9-175.800000115P135 M139P135-G137 PolarHBondContact O-N 2.83Å; G137-M139 PolarHBondContact O-N 2.94Å
138F85.6Confident86.4Confident72 Ų7271.5 Ų71.532%0.31645%0.446SS..  trans-52.3122.8173.3173.9-102.6000111.8P104 N105 H108 A134 P135 P140P104-F138 HydrophobicContact CB-CE2 4.29Å; P104-F138 HydrophobicContact CB-CZ 4.2Å; N105-F138 HydrophobicContact CB-CZ 4.03Å; H108-F138 HydrophobicContact CB-CE1 4.44Å; A134-F138 HydrophobicContact CB-CB 3.82Å; A134-F138 HydrophobicContact CB-CD1 4.03Å; A134-F138 HydrophobicContact CB-CD2 4.4Å; A134-F138 HydrophobicContact CB-CG 3.82Å; P135-F138 HydrophobicContact CG-CB 4.29Å; P135-F138 HydrophobicContact CG-CD2 4.48Å; P135-F138 VanDerWaalsContact O-CB 3.25Å; P135-F138 WeakPolarHBondContact O-CB 3.38Å; P135-F138 PolarHBondContact O-N 3.38Å; F138-P140 HydrophobicContact CE1-CB 4.13Å; F138-P140 HydrophobicContact CZ-CB 4.42Å
139M84.3Confident86.7Confident167 Ų16769.5 Ų69.582%0.82343%0.429SS*.  trans-108.4124170.8-68.7-174.8175.300109G137G137-M139 PolarHBondContact O-N 2.94Å
140P85.4Confident87.1Confident44 Ų4470.5 Ų70.529%0.28643%0.433SS..  trans-67.9138.1178.329.7-35.4000110.5N105 H108 W109 F138N105-P140 WeakPolarHBondContact OD1-CA 3.4Å; H108-P140 HydrophobicContact CB-CB 4.31Å; H108-P140 WeakPolarHBondContact CD2-CB 3.38Å; H108-P140 WeakPolarHBondContact NE2-CG 3.28Å; W109-P140 HydrophobicContact CZ2-CB 4.3Å; W109-P140 HydrophobicContact CZ2-CG 4.49Å; F138-P140 HydrophobicContact CE1-CB 4.13Å; F138-P140 HydrophobicContact CZ-CB 4.42Å
141S85.6Confident87.6Confident45 Ų4569.7 Ų69.732%0.31542%0.42SS..  trans-69.7133173.2-1790000109.7N105 W109 T143N105-S141 PolarHBondContact OD1-N 3.41Å; W109-S141 PolarHBondContact NE1-O 3.47Å; S141-T143 PolarHBondContact O-N 2.93Å; S141-T143 PolarHBondContact OG-N 3.47Å; S141-T143 PolarHBondContact OG-OG1 2.79Å
142P82.6Confident88.1Confident114 Ų11469.6 Ų69.674%0.7442%0.42SS*.SBendtrans-73.3-11.2176.531-35.4000113.2F144P142-F144 PolarHBondContact O-N 3.22Å; P142-F144 VanDerWaalsContact O-N 3.08Å
143T84.6Confident88.6Confident111 Ų11165 Ų6568%0.68139%0.39SS*.  trans-82.928.6-176.367.20000113.5S141 D145S141-T143 PolarHBondContact O-N 2.93Å; S141-T143 PolarHBondContact OG-N 3.47Å; S141-T143 PolarHBondContact OG-OG1 2.79Å; T143-D145 PolarHBondContact O-N 3.04Å
144F89Confident89Confident34 Ų3462 Ų6215%0.14937%0.371CS..  trans-73.3128.2-177.9178.4-87.2000110.9D106 W109 A110 P142 M146 L149 P344D106-F144 HydrophobicContact CB-CE2 4.25Å; W109-F144 HydrophobicContact CB-CB 4.2Å; W109-F144 HydrophobicContact CB-CD1 3.69Å; W109-F144 HydrophobicContact CB-CD2 3.8Å; W109-F144 HydrophobicContact CB-CE1 4.03Å; W109-F144 HydrophobicContact CB-CE2 4.12Å; W109-F144 HydrophobicContact CB-CG 3.59Å; W109-F144 HydrophobicContact CB-CZ 4.23Å; W109-F144 VanDerWaalsContact CD1-CB 3.43Å; W109-F144 AromaticContact CD1-CD2 3.81Å; W109-F144 AromaticContact CD1-CG 3.65Å; W109-F144 HydrophobicContact CD2-CB 4.29Å; W109-F144 HydrophobicContact CG-CB 3.73Å; W109-F144 HydrophobicContact CG-CD1 4.13Å; W109-F144 HydrophobicContact CG-CD2 4.07Å; W109-F144 AromaticContact CG-CG 3.68Å; W109-F144 HydrophobicContact CG-CG 3.68Å; A110-F144 HydrophobicContact CB-CE1 4.35Å; A110-F144 HydrophobicContact CB-CE2 4.45Å; A110-F144 HydrophobicContact CB-CZ 3.73Å; P142-F144 PolarHBondContact O-N 3.22Å; P142-F144 VanDerWaalsContact O-N 3.08Å; F144-M146 HydrophobicContact CE1-CG 3.93Å; F144-M146 HydrophobicContact CE1-SD 3.65Å; F144-M146 HydrophobicContact CZ-SD 3.84Å; F144-L149 HydrophobicContact CE2-CB 4.43Å; F144-L149 HydrophobicContact CE2-CD2 4.26Å; F144-L149 HydrophobicContact CZ-CB 4.26Å; F144-L149 HydrophobicContact CZ-CD2 3.86Å; F144-P344 HydrophobicContact CD1-CG 3.85Å; F144-P344 HydrophobicContact CE1-CG 3.34Å; F144-P344 HydrophobicContact CZ-CG 4.24Å
145D91.8Very high89.6Confident56 Ų5660.2 Ų60.230%0.29936%0.356SS..  trans-129.4127.9176.5178.57.7000110.2T143 A147 Q148 L149T143-D145 PolarHBondContact O-N 3.04Å; D145-A147 VanDerWaalsContact C-N 3.33Å; D145-A147 PolarHBondContact O-N 3.19Å; D145-A147 PolarHBondContact OD1-N 3.44Å; D145-Q148 HydrophobicContact CB-CB 4.18Å; D145-Q148 HydrophobicContact CB-CG 4.06Å; D145-Q148 PolarHBondContact O-N 3.13Å; D145-L149 PolarHBondContact O-N 3.01Å
146M91.4Very high90.1Very high5 Ų557.3 Ų57.33%0.02534%0.337CS..Hα-helixtrans-61.7-38.8177.5-76.6-64.7-74.800112.2A110 L114 F144 L149 Y150 V333 V341 C342 P344A110-M146 HydrophobicContact CB-SD 4.24Å; L114-M146 HydrophobicContact CD1-CE 3.9Å; L114-M146 HydrophobicContact CD1-SD 4.44Å; L114-M146 HydrophobicContact CD2-CE 3.75Å; L114-M146 HydrophobicContact CG-CE 4.09Å; F144-M146 HydrophobicContact CE1-CG 3.93Å; F144-M146 HydrophobicContact CE1-SD 3.65Å; F144-M146 HydrophobicContact CZ-SD 3.84Å; M146-L149 WeakPolarHBondContact O-CB 3.33Å; M146-L149 PolarHBondContact O-N 3.3Å; M146-L149 HydrophobicContact SD-CD2 4.43Å; M146-Y150 HydrophobicContact CE-CE2 3.85Å; M146-Y150 WeakPolarHBondContact O-CD2 3.36Å; M146-Y150 PolarHBondContact O-N 3.3Å; M146-Y150 VanDerWaalsContact O-N 3.11Å; M146-V333 HydrophobicContact CB-CG2 4.08Å; M146-V341 HydrophobicContact CB-CG1 3.93Å; M146-C342 WeakPolarHBondContact CG-O 3.36Å; M146-P344 HydrophobicContact CG-CG 4.17Å; M146-P344 HydrophobicContact SD-CG 3.85Å
147A92.8Very high90.8Very high27 Ų2750.9 Ų50.922%0.22330%0.295CS..Hα-helixtrans-65-43179.500000111.2D145 L149 Y150 A151 V333 V341D145-A147 VanDerWaalsContact C-N 3.33Å; D145-A147 PolarHBondContact O-N 3.19Å; D145-A147 PolarHBondContact OD1-N 3.44Å; A147-L149 VanDerWaalsContact C-N 3.33Å; A147-L149 PolarHBondContact O-N 3.11Å; A147-Y150 PolarHBondContact O-N 3.27Å; A147-A151 VanDerWaalsContact O-CB 3.3Å; A147-A151 WeakPolarHBondContact O-CB 3.46Å; A147-A151 PolarHBondContact O-N 3.09Å; A147-V333 HydrophobicContact CB-CG1 4.42Å; A147-V341 HydrophobicContact CB-CG2 4.34Å
148Q93.6Very high91.5Very high118 Ų11852.4 Ų52.455%0.55129%0.286SS*.Hα-helixtrans-64.3-37175.1-68.4-17718.900112.5D145 A151 R152D145-Q148 HydrophobicContact CB-CB 4.18Å; D145-Q148 HydrophobicContact CB-CG 4.06Å; D145-Q148 PolarHBondContact O-N 3.13Å; Q148-A151 PolarHBondContact O-N 3.25Å; Q148-R152 VanDerWaalsContact O-CB 3.22Å; Q148-R152 WeakPolarHBondContact O-CB 3.49Å; Q148-R152 PolarHBondContact O-N 3.04Å
149L93.8Very high92Very high3 Ų352.5 Ų52.52%0.01629%0.29CS..Hα-helixtrans-58.4-55174.5175.762.8000110.8L97 L102 D106 A110 L114 F144 D145 M146 A147 A151 R152 A153L97-L149 HydrophobicContact CD2-CG 4.45Å; L102-L149 HydrophobicContact CD2-CD1 4.2Å; D106-L149 HydrophobicContact CB-CD1 3.94Å; A110-L149 HydrophobicContact CB-CD2 4.07Å; L114-L149 HydrophobicContact CD1-CD2 3.89Å; F144-L149 HydrophobicContact CE2-CB 4.43Å; F144-L149 HydrophobicContact CE2-CD2 4.26Å; F144-L149 HydrophobicContact CZ-CB 4.26Å; F144-L149 HydrophobicContact CZ-CD2 3.86Å; D145-L149 PolarHBondContact O-N 3.01Å; M146-L149 WeakPolarHBondContact O-CB 3.33Å; M146-L149 PolarHBondContact O-N 3.3Å; M146-L149 HydrophobicContact SD-CD2 4.43Å; A147-L149 VanDerWaalsContact C-N 3.33Å; A147-L149 PolarHBondContact O-N 3.11Å; L149-A151 VanDerWaalsContact C-N 3.35Å; L149-A151 PolarHBondContact O-N 3.01Å; L149-R152 PolarHBondContact O-N 2.91Å; L149-A153 HydrophobicContact CD1-CB 3.96Å; L149-A153 WeakPolarHBondContact O-CA 3.35Å; L149-A153 VanDerWaalsContact O-CB 3.24Å; L149-A153 WeakPolarHBondContact O-CB 3.37Å; L149-A153 PolarHBondContact O-N 3.16Å
150Y93.9Very high92.6Very high24 Ų2444.7 Ų44.79%0.09425%0.251CS..Hα-helixtrans-63.3-39.6179.4-81-77.1000112.5P96 L97 M146 A147 R152 G154 V333P96-Y150 HydrophobicContact CB-CE1 4.46Å; L97-Y150 HydrophobicContact CD2-CD1 3.83Å; L97-Y150 HydrophobicContact CD2-CE1 4.1Å; L97-Y150 HydrophobicContact CD2-CG 4.45Å; M146-Y150 HydrophobicContact CE-CE2 3.85Å; M146-Y150 WeakPolarHBondContact O-CD2 3.36Å; M146-Y150 PolarHBondContact O-N 3.3Å; M146-Y150 VanDerWaalsContact O-N 3.11Å; A147-Y150 PolarHBondContact O-N 3.27Å; Y150-R152 PolarHBondContact O-N 2.79Å; Y150-G154 WeakPolarHBondContact O-CA 3.46Å; Y150-G154 PolarHBondContact O-N 3.22Å; Y150-V333 HydrophobicContact CD2-CB 4.46Å; Y150-V333 HydrophobicContact CD2-CG2 3.95Å; Y150-V333 HydrophobicContact CE2-CG2 4.32Å
151A95Very high93.2Very high42 Ų4243.7 Ų43.735%0.34724%0.243SC..Hα-helixtrans-62.4-41.4179.200000112.7A147 Q148 L149 F180 K185A147-A151 VanDerWaalsContact O-CB 3.3Å; A147-A151 WeakPolarHBondContact O-CB 3.46Å; A147-A151 PolarHBondContact O-N 3.09Å; Q148-A151 PolarHBondContact O-N 3.25Å; L149-A151 VanDerWaalsContact C-N 3.35Å; L149-A151 PolarHBondContact O-N 3.01Å; A151-F180 HydrophobicContact CB-CZ 4.01Å; A151-K185 PolarHBondContact O-NZ 3.21Å
152R95.3Very high93.7Very high106 Ų10644.2 Ų44.240%0.424%0.242SC..Hα-helixtrans-83.5-47.1-177.8-178.3-175.270.8-146.4-1.7112.9D106 Q148 L149 Y150D106-R152 IonicContact OD1-CZ 3.4Å; D106-R152 IonicContact OD1-NH2 3.86Å; D106-R152 PolarHBondContact OD1-NH2 3.32Å; D106-R152 IonicContact OD2-CZ 3.06Å; D106-R152 IonicContact OD2-NH2 3.02Å; D106-R152 PolarHBondContact OD2-NH2 2.76Å; Q148-R152 VanDerWaalsContact O-CB 3.22Å; Q148-R152 WeakPolarHBondContact O-CB 3.49Å; Q148-R152 PolarHBondContact O-N 3.04Å; L149-R152 PolarHBondContact O-N 2.91Å; Y150-R152 PolarHBondContact O-N 2.79Å
153A94.9Very high94.4Very high0 Ų041.2 Ų41.20%022%0.22CC..Hα-helixtrans-90.2-15.8-171.500000113.4L97 R98 R101 L149L97-A153 HydrophobicContact CD2-CB 3.92Å; R98-A153 WeakPolarHBondContact CB-O 3.35Å; R98-A153 PolarHBondContact N-O 2Å; R101-A153 HydrophobicContact CB-CB 3.8Å; L149-A153 HydrophobicContact CD1-CB 3.96Å; L149-A153 WeakPolarHBondContact O-CA 3.35Å; L149-A153 VanDerWaalsContact O-CB 3.24Å; L149-A153 WeakPolarHBondContact O-CB 3.37Å; L149-A153 PolarHBondContact O-N 3.16Å
154G95.5Very high95Very high0 Ų036.1 Ų36.10%019%0.189CC..SBendtrans-59.1160.9169.300000113R98 Y150R98-G154 PolarHBondContact NE-O 2.67Å; R98-G154 PolarHBondContact NH2-O 3.43Å; R98-G154 VanDerWaalsContact NH2-O 3.09Å; Y150-G154 WeakPolarHBondContact O-CA 3.46Å; Y150-G154 PolarHBondContact O-N 3.22Å
155H97.1Very high95.4Very high4 Ų439.9 Ų39.92%0.01920%0.202CC..PPolyproline II helixtrans-66135.8174.9-74.1-97.5000111N93 N95 M160 Y187 Q217N93-H155 HydrophobicContact CB-CB 4.36Å; N95-H155 PolarHBondContact ND2-NE2 2.93Å; N95-H155 PolarHBondContact O-CD2 2.85Å; N95-H155 VanDerWaalsContact O-CD2 3.28Å; H155-M160 HydrophobicContact CB-CG 4.25Å; H155-M160 HydrophobicContact CB-SD 3.46Å; H155-M160 WeakPolarHBondContact CB-SD 3.5Å; H155-Y187 PolarHBondContact O-OH 3.32Å; H155-Q217 PolarHBondContact ND1-OE1 2.69Å
156S96.8Very high95.6Very high20 Ų2038.2 Ų38.214%0.1419%0.192CC..PPolyproline II helixtrans-84.8135.7175.4-146.80000109.6D158 D159 M160 Y187S156-D158 PolarHBondContact O-N 3.48Å; S156-D158 PolarHBondContact OG-OD2 2.94Å; S156-D159 WeakPolarHBondContact CB-OD2 3.46Å; S156-D159 PolarHBondContact O-N 3.04Å; S156-M160 WeakPolarHBondContact O-CG 3.47Å; S156-M160 PolarHBondContact O-N 3.37Å; S156-Y187 WeakPolarHBondContact CA-OH 3.41Å
157L96.9Very high95.8Very high2 Ų243 Ų431%0.0121%0.21CC..Hα-helixtrans-64.1-33.9175.4-172.162.3000111.4L91 D159 M160 L161 P173 F176 Y187 L214L91-L157 HydrophobicContact CD1-CD1 4.18Å; L157-D159 PolarHBondContact O-N 2.88Å; L157-M160 PolarHBondContact O-N 2.87Å; L157-M160 VanDerWaalsContact O-N 3.12Å; L157-L161 HydrophobicContact CD1-CB 4.17Å; L157-L161 HydrophobicContact CG-CB 4.21Å; L157-L161 HydrophobicContact CG-CD2 4.47Å; L157-L161 WeakPolarHBondContact O-CB 3.22Å; L157-L161 PolarHBondContact O-N 3.47Å; L157-P173 HydrophobicContact CB-CB 4.41Å; L157-P173 HydrophobicContact CD2-CB 4.14Å; L157-P173 HydrophobicContact CG-CB 4.25Å; L157-F176 HydrophobicContact CD2-CB 3.43Å; L157-F176 VanDerWaalsContact CD2-CB 3.43Å; L157-F176 HydrophobicContact CD2-CD1 3.89Å; L157-F176 HydrophobicContact CD2-CD2 3.58Å; L157-F176 HydrophobicContact CD2-CE2 4.28Å; L157-F176 HydrophobicContact CD2-CG 3.37Å; L157-Y187 HydrophobicContact CB-CD1 3.81Å; L157-Y187 HydrophobicContact CB-CD2 3.95Å; L157-Y187 HydrophobicContact CB-CE1 3.66Å; L157-Y187 HydrophobicContact CB-CE2 3.81Å; L157-Y187 HydrophobicContact CB-CG 3.96Å; L157-Y187 HydrophobicContact CD1-CD2 4.13Å; L157-Y187 HydrophobicContact CD1-CG 4.29Å; L157-Y187 HydrophobicContact CD2-CD1 3.96Å; L157-Y187 HydrophobicContact CD2-CG 3.94Å; L157-Y187 HydrophobicContact CG-CD1 4.44Å; L157-Y187 HydrophobicContact CG-CD2 4.45Å; L157-Y187 HydrophobicContact CG-CG 4.3Å; L157-Y187 PolarHBondContact N-OH 3.43Å; L157-L214 HydrophobicContact CD1-CD2 4.35Å
158D96.3Very high95.8Very high106 Ų10644.1 Ų44.157%0.56722%0.224SC*.Hα-helixtrans-58-33.6176.2-46.2-86.5000113.1S156 P173S156-D158 PolarHBondContact O-N 3.48Å; S156-D158 PolarHBondContact OG-OD2 2.94Å; D158-P173 HydrophobicContact CB-CG 4.47Å
159D95.4Very high95.9Very high75 Ų7545 Ų4540%0.40123%0.228SC..Hα-helixtrans-86.5-25.7-179.8-54.7-39.1000111.5R98 S156 L157 Q217R98-D159 IonicContact CZ-OD2 2.9Å; R98-D159 IonicContact NH1-OD2 2.94Å; R98-D159 PolarHBondContact NH1-OD2 2.93Å; S156-D159 WeakPolarHBondContact CB-OD2 3.46Å; S156-D159 PolarHBondContact O-N 3.04Å; L157-D159 PolarHBondContact O-N 2.88Å; D159-Q217 PolarHBondContact O-NE2 2.81Å; D159-Q217 VanDerWaalsContact O-NE2 3.09Å
160M97.4Very high96Very high2 Ų250 Ų501%0.0126%0.261CS..Hα-helixtrans-88.1-35.9-179-68.6-179.162.400112.6N93 H155 S156 L157 L162 L214 D215 I237N93-M160 HydrophobicContact CB-CE 4.04Å; N93-M160 HydrophobicContact CB-SD 4.24Å; H155-M160 HydrophobicContact CB-CG 4.25Å; H155-M160 HydrophobicContact CB-SD 3.46Å; H155-M160 WeakPolarHBondContact CB-SD 3.5Å; S156-M160 WeakPolarHBondContact O-CG 3.47Å; S156-M160 PolarHBondContact O-N 3.37Å; L157-M160 PolarHBondContact O-N 2.87Å; L157-M160 VanDerWaalsContact O-N 3.12Å; M160-L162 PolarHBondContact O-N 3.26Å; M160-L214 HydrophobicContact CB-CD2 4.28Å; M160-L214 CarbonylContact O-C 3.5Å; M160-L214 VanDerWaalsContact O-CA 3.25Å; M160-L214 WeakPolarHBondContact O-CA 3.42Å; M160-D215 WeakPolarHBondContact CG-O 3.41Å; M160-D215 PolarHBondContact O-N 3.06Å; M160-I237 HydrophobicContact CE-CG2 4.04Å
161L97.8Very high96.1Very high23 Ų2350 Ų5012%0.1226%0.264CS..EExtended strand (participates in β ladder)trans-81.9106.9-171.9-168.367.1000111.4L157 C164 P173 F176 I212 L214L157-L161 HydrophobicContact CD1-CB 4.17Å; L157-L161 HydrophobicContact CG-CB 4.21Å; L157-L161 HydrophobicContact CG-CD2 4.47Å; L157-L161 WeakPolarHBondContact O-CB 3.22Å; L157-L161 PolarHBondContact O-N 3.47Å; L161-C164 HydrophobicContact CD1-CB 4.02Å; L161-C164 HydrophobicContact CD2-CB 3.92Å; L161-C164 HydrophobicContact CG-CB 4.16Å; L161-P173 HydrophobicContact CD2-CG 4.06Å; L161-F176 HydrophobicContact CD2-CE2 4.24Å; L161-I212 HydrophobicContact CD1-CB 4.23Å; L161-I212 HydrophobicContact CD1-CG2 4.28Å; L161-L214 HydrophobicContact CB-CD2 4.28Å; L161-L214 HydrophobicContact CD1-CD2 3.67Å
162L96.5Very high96.1Very high56 Ų5648.3 Ų48.329%0.29325%0.251SS..EExtended strand (participates in β ladder)trans-91.5-39.9-178-58.4-177.5000113.2M160 M213 D215 L397 V408M160-L162 PolarHBondContact O-N 3.26Å; L162-M213 HydrophobicContact CB-CB 4.36Å; L162-M213 HydrophobicContact CB-CE 3.6Å; L162-M213 HydrophobicContact CB-CG 4.34Å; L162-M213 WeakPolarHBondContact CB-O 3.49Å; L162-M213 HydrophobicContact CD1-CE 4Å; L162-M213 HydrophobicContact CD1-CG 4.33Å; L162-M213 HydrophobicContact CG-CE 4.49Å; L162-M213 PolarHBondContact N-O 3.3Å; L162-D215 HydrophobicContact CD1-CB 4.11Å; L162-D215 HydrophobicContact CD2-CB 4.2Å; L162-D215 HydrophobicContact CG-CB 4.15Å; L162-L397 HydrophobicContact CD1-CD1 3.85Å; L162-L397 HydrophobicContact CD1-CD2 4.02Å; L162-L397 HydrophobicContact CD2-CD2 4.06Å; L162-L397 HydrophobicContact CG-CD2 4.45Å; L162-V408 HydrophobicContact CD1-CG1 4.22Å; L162-V408 HydrophobicContact CD1-CG2 3.95Å
163D96.4Very high96.2Very high52 Ų5245 Ų4528%0.27824%0.242SC..EExtended strand (participates in β ladder)trans-147.9146.1173.8-162.79.8000108.4R165 I212 M213D163-R165 IonicContact OD1-NE 3.82Å; D163-R165 IonicContact OD2-CZ 3.4Å; D163-R165 IonicContact OD2-NE 3.54Å; D163-R165 IonicContact OD2-NH2 2.92Å; D163-R165 PolarHBondContact OD2-NH2 2.82Å; D163-I212 WeakPolarHBondContact O-CA 3.45Å; D163-M213 HydrophobicContact CB-CB 4.08Å; D163-M213 HydrophobicContact CB-CE 4.3Å; D163-M213 PolarHBondContact N-O 2.79Å; D163-M213 PolarHBondContact O-N 3.06Å
164C97.5Very high96.1Very high3 Ų352.1 Ų52.12%0.0228%0.276CS..EExtended strand (participates in β ladder)trans-148.1127.1-179.5-175.70000109.2L161 P170 C171 D211 I212L161-C164 HydrophobicContact CD1-CB 4.02Å; L161-C164 HydrophobicContact CD2-CB 3.92Å; L161-C164 HydrophobicContact CG-CB 4.16Å; C164-P170 WeakPolarHBondContact O-CA 3.49Å; C164-C171 HydrophobicContact CB-CB 4.12Å; C164-C171 VanDerWaalsContact CB-O 3.32Å; C164-C171 WeakPolarHBondContact CB-O 3.29Å; C164-C171 WeakPolarHBondContact CB-SG 3.46Å; C164-C171 PolarHBondContact O-N 2.98Å; C164-C171 PolarHBondContact O-SG 2.95Å; C164-C171 WeakPolarHBondContact SG-CB 3.36Å; C164-C171 CovalentContact SG-SG 2.04Å; C164-C171 PolarHBondContact SG-SG 2.9Å; C164-D211 CarbonylContact C-O 3.5Å; C164-D211 WeakPolarHBondContact CA-O 3.41Å; C164-I212 HydrophobicContact CB-CG2 4.25Å
165R97.3Very high96.1Very high114 Ų11455.7 Ų55.743%0.4330%0.295SS..EExtended strand (participates in β ladder)trans-137.1134.8174.7-58.1-179.9-169.8-171.55.6110.9D163 Q169 C171 D211D163-R165 IonicContact OD1-NE 3.82Å; D163-R165 IonicContact OD2-CZ 3.4Å; D163-R165 IonicContact OD2-NE 3.54Å; D163-R165 IonicContact OD2-NH2 2.92Å; D163-R165 PolarHBondContact OD2-NH2 2.82Å; R165-Q169 CarbonylContact C-O 3.49Å; R165-Q169 WeakPolarHBondContact CA-O 3.36Å; R165-C171 PolarHBondContact N-SG 2.88Å; R165-D211 HydrophobicContact CB-CB 4.4Å; R165-D211 PolarHBondContact N-O 2.91Å; R165-D211 PolarHBondContact O-N 3.46Å
166F96.8Very high96Very high20 Ų2056.1 Ų56.19%0.08830%0.297CS..EExtended strand (participates in β ladder)trans-118.9119.9168.3-179.5-109.6000109F86 G168 Q169 F189 L199 G209 L210F86-F166 HydrophobicContact CB-CE2 4.2Å; F86-F166 HydrophobicContact CB-CZ 4.13Å; F86-F166 AromaticContact CD1-CE2 3.81Å; F86-F166 HydrophobicContact CD1-CE2 3.81Å; F86-F166 HydrophobicContact CD1-CZ 4.49Å; F86-F166 AromaticContact CD2-CE2 3.88Å; F86-F166 HydrophobicContact CD2-CE2 3.88Å; F86-F166 HydrophobicContact CD2-CZ 4.47Å; F86-F166 HydrophobicContact CE1-CE2 4.13Å; F86-F166 HydrophobicContact CE2-CE2 4.2Å; F86-F166 AromaticContact CG-CE2 3.67Å; F86-F166 HydrophobicContact CG-CE2 3.67Å; F86-F166 HydrophobicContact CG-CZ 4.11Å; F86-F166 HydrophobicContact CZ-CE2 4.32Å; F166-G168 PolarHBondContact O-N 2.94Å; F166-Q169 PolarHBondContact N-O 3.42Å; F166-Q169 WeakPolarHBondContact O-CB 3.39Å; F166-Q169 PolarHBondContact O-N 3.45Å; F166-F189 HydrophobicContact CB-CZ 3.96Å; F166-F189 AromaticContact CD2-CE1 3.85Å; F166-F189 HydrophobicContact CD2-CE1 3.85Å; F166-F189 AromaticContact CD2-CZ 3.89Å; F166-F189 HydrophobicContact CD2-CZ 3.89Å; F166-F189 HydrophobicContact CE2-CE1 4.2Å; F166-F189 HydrophobicContact CG-CE1 4.3Å; F166-F189 AromaticContact CG-CZ 3.87Å; F166-F189 HydrophobicContact CG-CZ 3.87Å; F166-L199 HydrophobicContact CD1-CD1 3.95Å; F166-L199 HydrophobicContact CE1-CB 3.7Å; F166-L199 HydrophobicContact CE1-CD1 3.88Å; F166-L199 HydrophobicContact CE1-CD2 4.27Å; F166-L199 HydrophobicContact CE1-CG 4.17Å; F166-L199 HydrophobicContact CG-CD1 4.4Å; F166-L199 HydrophobicContact CZ-CB 3.75Å; F166-L199 HydrophobicContact CZ-CD1 4.29Å; F166-G209 WeakPolarHBondContact CA-O 3.05Å; F166-L210 HydrophobicContact CD2-CB 4.39Å
167R94.8Very high96Very high107 Ų10756.9 Ų56.940%0.40430%0.301SS..THydrogen-bonded Turntrans53.336-175-61.3167.256.9-167-9.1112.9Q169 T200 G207 N208 G209R167-Q169 PolarHBondContact O-N 3.29Å; R167-T200 WeakPolarHBondContact CD-O 3.4Å; R167-T200 PolarHBondContact NH1-O 3.24Å; R167-G207 CarbonylContact C-O 3.51Å; R167-G207 WeakPolarHBondContact CA-O 3.32Å; R167-N208 WeakPolarHBondContact CG-O 3.43Å; R167-G209 PolarHBondContact N-O 3.04Å
168G93.3Very high95.9Very high49 Ų4960.3 Ų60.351%0.50532%0.322SS..THydrogen-bonded Turntrans75.2-3.1-176.400000115.8F166 G207F166-G168 PolarHBondContact O-N 2.94Å; G168-G207 PolarHBondContact N-O 2.82Å
169Q95.1Very high95.9Very high136 Ų13657.3 Ų57.364%0.63631%0.305SS*.EExtended strand (participates in β ladder)trans-88140.9173.8-62.7-59.5-4200110.6R165 F166 R167R165-Q169 CarbonylContact C-O 3.49Å; R165-Q169 WeakPolarHBondContact CA-O 3.36Å; F166-Q169 PolarHBondContact N-O 3.42Å; F166-Q169 WeakPolarHBondContact O-CB 3.39Å; F166-Q169 PolarHBondContact O-N 3.45Å; R167-Q169 PolarHBondContact O-N 3.29Å
170P96.6Very high95.8Very high110 Ų11056.9 Ų56.971%0.71430%0.3SS*.EExtended strand (participates in β ladder)trans-64138.4178.228.3-34.2000110.9C164C164-P170 WeakPolarHBondContact O-CA 3.49Å
171C95.7Very high95.7Very high23 Ų2357.4 Ų57.416%0.15530%0.303CS..  trans-121.9166.8168.643.50000110.6C164 R165 N175C164-C171 HydrophobicContact CB-CB 4.12Å; C164-C171 VanDerWaalsContact CB-O 3.32Å; C164-C171 WeakPolarHBondContact CB-O 3.29Å; C164-C171 WeakPolarHBondContact CB-SG 3.46Å; C164-C171 PolarHBondContact O-N 2.98Å; C164-C171 PolarHBondContact O-SG 2.95Å; C164-C171 WeakPolarHBondContact SG-CB 3.36Å; C164-C171 CovalentContact SG-SG 2.04Å; C164-C171 PolarHBondContact SG-SG 2.9Å; R165-C171 PolarHBondContact N-SG 2.88Å; C171-N175 WeakPolarHBondContact CA-OD1 3.06Å; C171-N175 WeakPolarHBondContact CB-OD1 3.1Å
172G95.3Very high95.4Very high7 Ų759.9 Ų59.97%0.07231%0.311CS..  trans-138.5-179.6178.700000112.9E174 N175 F176G172-E174 VanDerWaalsContact CA-OE2 3.29Å; G172-E174 WeakPolarHBondContact CA-OE2 3.45Å; G172-E174 PolarHBondContact O-N 2.92Å; G172-E174 VanDerWaalsContact O-N 3.15Å; G172-N175 PolarHBondContact N-OD1 2.87Å; G172-N175 PolarHBondContact O-N 2.8Å; G172-F176 WeakPolarHBondContact O-CD2 3.46Å
173P96.1Very high95.1Very high35 Ų3558.4 Ų58.423%0.22730%0.303CS..G310 helixtrans-56.5-27.1178.3-23.934.8000113.7L157 D158 L161 N175 F176L157-P173 HydrophobicContact CB-CB 4.41Å; L157-P173 HydrophobicContact CD2-CB 4.14Å; L157-P173 HydrophobicContact CG-CB 4.25Å; D158-P173 HydrophobicContact CB-CG 4.47Å; L161-P173 HydrophobicContact CD2-CG 4.06Å; P173-N175 PolarHBondContact O-N 2.83Å; P173-F176 PolarHBondContact O-N 3.12Å; P173-F176 VanDerWaalsContact O-N 3.09Å
174E93.8Very high95Very high151 Ų15156 Ų5671%0.70629%0.291SS*.G310 helixtrans-63-21.717667.8-80.6-172.900114.1G172 F176G172-E174 VanDerWaalsContact CA-OE2 3.29Å; G172-E174 WeakPolarHBondContact CA-OE2 3.45Å; G172-E174 PolarHBondContact O-N 2.92Å; G172-E174 VanDerWaalsContact O-N 3.15Å; E174-F176 PolarHBondContact O-N 2.9Å
175N94.6Very high94.9Very high75 Ų7557.8 Ų57.840%0.40130%0.298SS..G310 helixtrans-82.90.3176-59.7119.5000113.1C171 G172 P173 F189C171-N175 WeakPolarHBondContact CA-OD1 3.06Å; C171-N175 WeakPolarHBondContact CB-OD1 3.1Å; G172-N175 PolarHBondContact N-OD1 2.87Å; G172-N175 PolarHBondContact O-N 2.8Å; P173-N175 PolarHBondContact O-N 2.83Å; N175-F189 HydrophobicContact CB-CD2 4.33Å; N175-F189 HydrophobicContact CB-CE2 4.07Å
176F96.3Very high94.9Very high12 Ų1252.3 Ų52.35%0.05328%0.277CS..EExtended strand (participates in β ladder)trans-114.6130.1-179.4-66.4-107.7000110.6L91 L157 L161 G172 P173 E174 T188 F189 I212L91-F176 HydrophobicContact CD2-CD1 4.29Å; L91-F176 HydrophobicContact CD2-CE1 3.69Å; L157-F176 HydrophobicContact CD2-CB 3.43Å; L157-F176 VanDerWaalsContact CD2-CB 3.43Å; L157-F176 HydrophobicContact CD2-CD1 3.89Å; L157-F176 HydrophobicContact CD2-CD2 3.58Å; L157-F176 HydrophobicContact CD2-CE2 4.28Å; L157-F176 HydrophobicContact CD2-CG 3.37Å; L161-F176 HydrophobicContact CD2-CE2 4.24Å; G172-F176 WeakPolarHBondContact O-CD2 3.46Å; P173-F176 PolarHBondContact O-N 3.12Å; P173-F176 VanDerWaalsContact O-N 3.09Å; E174-F176 PolarHBondContact O-N 2.9Å; F176-T188 WeakPolarHBondContact CA-O 3.49Å; F176-F189 HydrophobicContact CD1-CB 3.82Å; F176-F189 HydrophobicContact CD1-CD2 4.48Å; F176-F189 HydrophobicContact CD2-CD2 4.27Å; F176-F189 HydrophobicContact CE1-CB 3.57Å; F176-F189 HydrophobicContact CE1-CD2 4.1Å; F176-F189 HydrophobicContact CE1-CG 4.25Å; F176-F189 AromaticContact CE2-CD2 3.85Å; F176-F189 HydrophobicContact CE2-CD2 3.85Å; F176-F189 HydrophobicContact CZ-CB 4.09Å; F176-F189 AromaticContact CZ-CD2 3.75Å; F176-F189 HydrophobicContact CZ-CD2 3.75Å; F176-F189 HydrophobicContact CZ-CG 4.28Å; F176-I212 HydrophobicContact CZ-CG2 4.46Å
177T95.8Very high95Very high37 Ų3751.9 Ų51.923%0.22728%0.275CS..EExtended strand (participates in β ladder)trans-87.7129.5174.354.60000110.1Y187 T188 S191 A193T177-Y187 WeakPolarHBondContact O-CA 3.24Å; T177-T188 PolarHBondContact N-O 3.19Å; T177-T188 PolarHBondContact O-N 3.31Å; T177-T188 PolarHBondContact OG1-O 3.46Å; T177-S191 WeakPolarHBondContact CG2-OG 3.36Å; T177-S191 WeakPolarHBondContact OG1-CB 3.47Å; T177-S191 PolarHBondContact OG1-OG 3.07Å; T177-A193 HydrophobicContact CG2-CB 4.27Å
178T95.5Very high95.1Very high74 Ų7447 Ų4745%0.45426%0.258SS..EExtended strand (participates in β ladder)trans-72.4129.2175.5-60.80000109.7K185 C186 Y187T178-K185 HydrophobicContact CG2-CD 4.49Å; T178-K185 HydrophobicContact CG2-CG 3.99Å; T178-C186 WeakPolarHBondContact CA-O 3.45Å; T178-Y187 HydrophobicContact CG2-CE1 4.4Å; T178-Y187 WeakPolarHBondContact OG1-CE1 3.37Å
179I95Very high95.3Very high42 Ų4244.8 Ų44.822%0.21523%0.234CC..EExtended strand (participates in β ladder)trans-133.6154.3175.358.4156.4000110.1T90 T181 C186 T188 P248T90-I179 HydrophobicContact CG2-CD1 3.7Å; I179-T181 HydrophobicContact CD1-CG2 4.03Å; I179-C186 HydrophobicContact CG1-CB 4.05Å; I179-C186 PolarHBondContact N-O 2.63Å; I179-C186 CarbonylContact O-C 3.53Å; I179-C186 PolarHBondContact O-N 3.43Å; I179-C186 VanDerWaalsContact O-O 3.05Å; I179-T188 WeakPolarHBondContact CD1-OG1 3.36Å; I179-P248 HydrophobicContact CD1-CB 4.41Å; I179-P248 HydrophobicContact CD1-CG 3.24Å
180F95.1Very high95.4Very high67 Ų6739 Ų3929%0.29421%0.207SC..EExtended strand (participates in β ladder)trans-104.9131.2174.4-66-79.4000109.4A151 G184 K185 V333 Y334A151-F180 HydrophobicContact CB-CZ 4.01Å; F180-G184 WeakPolarHBondContact CA-O 3.48Å; F180-K185 HydrophobicContact CD1-CB 4.39Å; F180-K185 HydrophobicContact CE1-CB 4.07Å; F180-K185 HydrophobicContact CE1-CG 4.1Å; F180-V333 HydrophobicContact CB-CG1 4Å; F180-V333 HydrophobicContact CD1-CG1 3.92Å; F180-V333 HydrophobicContact CD2-CG1 4.35Å; F180-V333 HydrophobicContact CG-CG1 3.82Å; F180-Y334 WeakPolarHBondContact O-CB 3.29Å
181T94.7Very high95.2Very high12 Ų1234.9 Ų34.97%0.07418%0.181CC..EExtended strand (participates in β ladder)trans-122.8-178.1174.172.70000109.2I179 M183 G184 C186 I250I179-T181 HydrophobicContact CD1-CG2 4.03Å; T181-M183 PolarHBondContact O-N 2.84Å; T181-M183 PolarHBondContact OG1-N 2.94Å; T181-M183 VanDerWaalsContact OG1-N 3.14Å; T181-G184 PolarHBondContact N-O 3.23Å; T181-G184 PolarHBondContact O-N 2.88Å; T181-C186 HydrophobicContact CG2-CB 4.18Å; T181-C186 PolarHBondContact OG1-SG 2.9Å; T181-I250 HydrophobicContact CG2-CG2 3.96Å
182R91Very high94.9Very high75 Ų7535.1 Ų35.128%0.28319%0.188SC..THydrogen-bonded Turntrans-58.7-25.7170.6-73.4171.8166.8-155.8-0.9113.1G184 D251 E320 Y334R182-G184 PolarHBondContact O-N 3.14Å; R182-D251 HydrophobicContact CB-CB 4.29Å; R182-D251 WeakPolarHBondContact CD-OD2 3.39Å; R182-D251 IonicContact NE-OD2 3.91Å; R182-D251 IonicContact NH1-OD2 2.89Å; R182-D251 PolarHBondContact NH1-OD2 3.4Å; R182-E320 IonicContact CZ-OE1 3.64Å; R182-E320 IonicContact CZ-OE2 3.14Å; R182-E320 IonicContact NE-OE1 3.78Å; R182-E320 IonicContact NH2-OE1 2.77Å; R182-E320 PolarHBondContact NH2-OE1 3.14Å; R182-E320 IonicContact NH2-OE2 2.72Å; R182-E320 PolarHBondContact NH2-OE2 2.81Å; R182-Y334 HydrophobicContact CB-CE1 4.42Å; R182-Y334 HydrophobicContact CG-CD1 3.91Å; R182-Y334 HydrophobicContact CG-CD2 4.32Å; R182-Y334 HydrophobicContact CG-CE1 3.42Å; R182-Y334 VanDerWaalsContact CG-CE1 3.42Å; R182-Y334 HydrophobicContact CG-CE2 3.88Å; R182-Y334 HydrophobicContact CG-CG 4.33Å; R182-Y334 VanDerWaalsContact CG-CZ 3.4Å; R182-Y334 PolarHBondContact NE-OH 3.31Å
183M91.4Very high94.3Very high26 Ų2636.8 Ų36.813%0.12820%0.2CC..THydrogen-bonded Turntrans-79.4-2.6174.9-61.6-176.567.200113.5C92 I94 P96 T181 R238 I250 D251C92-M183 HydrophobicContact CB-CB 4.19Å; C92-M183 HydrophobicContact CB-CE 4.03Å; C92-M183 HydrophobicContact CB-SD 3.96Å; I94-M183 HydrophobicContact CG1-CE 4.17Å; P96-M183 WeakPolarHBondContact CA-O 3.43Å; P96-M183 WeakPolarHBondContact CB-O 3.3Å; T181-M183 PolarHBondContact O-N 2.84Å; T181-M183 PolarHBondContact OG1-N 2.94Å; T181-M183 VanDerWaalsContact OG1-N 3.14Å; M183-R238 HydrophobicContact CE-CB 3.99Å; M183-R238 HydrophobicContact CE-CG 3.85Å; M183-R238 HydrophobicContact SD-CB 3.94Å; M183-R238 HydrophobicContact SD-CG 4.15Å; M183-I250 HydrophobicContact CG-CG2 4.24Å; M183-I250 HydrophobicContact SD-CG1 4.3Å; M183-I250 HydrophobicContact SD-CG2 3.79Å; M183-D251 HydrophobicContact CG-CB 4.41Å
184G92.8Very high93.5Very high2 Ų243.2 Ų43.22%0.02123%0.233CC..EExtended strand (participates in β ladder)trans99.6-136.1-177.200000112.6F180 T181 R182F180-G184 WeakPolarHBondContact CA-O 3.48Å; T181-G184 PolarHBondContact N-O 3.23Å; T181-G184 PolarHBondContact O-N 2.88Å; R182-G184 PolarHBondContact O-N 3.14Å
185K96.3Very high92.9Very high39 Ų3939.6 Ų39.617%0.1724%0.236CC..EExtended strand (participates in β ladder)trans-82.2120.1-174.4-169.5-177.7-175.4-1760110.8A151 T178 F180 Y187A151-K185 PolarHBondContact O-NZ 3.21Å; T178-K185 HydrophobicContact CG2-CD 4.49Å; T178-K185 HydrophobicContact CG2-CG 3.99Å; F180-K185 HydrophobicContact CD1-CB 4.39Å; F180-K185 HydrophobicContact CE1-CB 4.07Å; F180-K185 HydrophobicContact CE1-CG 4.1Å; K185-Y187 WeakPolarHBondContact CE-OH 3.41Å
186C97.4Very high92.5Very high0 Ų038.9 Ų38.90%024%0.24CC..EExtended strand (participates in β ladder)trans-131.6170.8-175.5-59.30000111.6L91 C92 T178 I179 T181L91-C186 WeakPolarHBondContact O-CA 3.25Å; L91-C186 WeakPolarHBondContact O-CB 3.4Å; C92-C186 HydrophobicContact CB-CB 4.07Å; C92-C186 WeakPolarHBondContact CB-SG 3.47Å; C92-C186 WeakPolarHBondContact SG-CB 3.37Å; C92-C186 CovalentContact SG-SG 2Å; C92-C186 PolarHBondContact SG-SG 2.83Å; T178-C186 WeakPolarHBondContact CA-O 3.45Å; I179-C186 HydrophobicContact CG1-CB 4.05Å; I179-C186 PolarHBondContact N-O 2.63Å; I179-C186 CarbonylContact O-C 3.53Å; I179-C186 PolarHBondContact O-N 3.43Å; I179-C186 VanDerWaalsContact O-O 3.05Å; T181-C186 HydrophobicContact CG2-CB 4.18Å; T181-C186 PolarHBondContact OG1-SG 2.9Å
187Y97.8Very high92.3Very high11 Ų1146.9 Ų46.94%0.04328%0.278CS..EExtended strand (participates in β ladder)trans-135134.7-173.4-58.6-80.2000110.8T90 L91 H155 S156 L157 T177 T178 K185T90-Y187 CarbonylContact C-O 3.48Å; T90-Y187 WeakPolarHBondContact CA-O 3.49Å; L91-Y187 HydrophobicContact CD1-CD2 4.05Å; L91-Y187 PolarHBondContact N-O 3.1Å; L91-Y187 PolarHBondContact O-N 2.82Å; H155-Y187 PolarHBondContact O-OH 3.32Å; S156-Y187 WeakPolarHBondContact CA-OH 3.41Å; L157-Y187 HydrophobicContact CB-CD1 3.81Å; L157-Y187 HydrophobicContact CB-CD2 3.95Å; L157-Y187 HydrophobicContact CB-CE1 3.66Å; L157-Y187 HydrophobicContact CB-CE2 3.81Å; L157-Y187 HydrophobicContact CB-CG 3.96Å; L157-Y187 HydrophobicContact CD1-CD2 4.13Å; L157-Y187 HydrophobicContact CD1-CG 4.29Å; L157-Y187 HydrophobicContact CD2-CD1 3.96Å; L157-Y187 HydrophobicContact CD2-CG 3.94Å; L157-Y187 HydrophobicContact CG-CD1 4.44Å; L157-Y187 HydrophobicContact CG-CD2 4.45Å; L157-Y187 HydrophobicContact CG-CG 4.3Å; L157-Y187 PolarHBondContact N-OH 3.43Å; T177-Y187 WeakPolarHBondContact O-CA 3.24Å; T178-Y187 HydrophobicContact CG2-CE1 4.4Å; T178-Y187 WeakPolarHBondContact OG1-CE1 3.37Å; K185-Y187 WeakPolarHBondContact CE-OH 3.41Å
188T97.8Very high92.2Very high5 Ų548.5 Ų48.53%0.03129%0.285CS..EExtended strand (participates in β ladder)trans-117.3117.9178.7-53.30000110.4A88 V89 T90 F176 T177 I179A88-T188 HydrophobicContact CB-CG2 3.97Å; V89-T188 CarbonylContact O-C 3.53Å; V89-T188 WeakPolarHBondContact O-CA 3.16Å; T90-T188 WeakPolarHBondContact OG1-CG2 2.93Å; T90-T188 PolarHBondContact OG1-OG1 2.93Å; F176-T188 WeakPolarHBondContact CA-O 3.49Å; T177-T188 PolarHBondContact N-O 3.19Å; T177-T188 PolarHBondContact O-N 3.31Å; T177-T188 PolarHBondContact OG1-O 3.46Å; I179-T188 WeakPolarHBondContact CD1-OG1 3.36Å
189F97.7Very high92.2Very high2 Ų248 Ų481%0.00928%0.279CS..EExtended strand (participates in β ladder)trans-77.3140.2168.3-175-103.2000110.1F86 A88 V89 F166 N175 F176 S191 L199 L210F86-F189 HydrophobicContact CD1-CD1 4.24Å; F86-F189 HydrophobicContact CD1-CE1 4.02Å; F86-F189 HydrophobicContact CE1-CD1 4.07Å; F86-F189 HydrophobicContact CE1-CE1 4.02Å; A88-F189 WeakPolarHBondContact CA-O 3.04Å; V89-F189 HydrophobicContact CB-CB 4.24Å; V89-F189 PolarHBondContact N-O 3.38Å; V89-F189 PolarHBondContact O-N 2.79Å; F166-F189 HydrophobicContact CB-CZ 3.96Å; F166-F189 AromaticContact CD2-CE1 3.85Å; F166-F189 HydrophobicContact CD2-CE1 3.85Å; F166-F189 AromaticContact CD2-CZ 3.89Å; F166-F189 HydrophobicContact CD2-CZ 3.89Å; F166-F189 HydrophobicContact CE2-CE1 4.2Å; F166-F189 HydrophobicContact CG-CE1 4.3Å; F166-F189 AromaticContact CG-CZ 3.87Å; F166-F189 HydrophobicContact CG-CZ 3.87Å; N175-F189 HydrophobicContact CB-CD2 4.33Å; N175-F189 HydrophobicContact CB-CE2 4.07Å; F176-F189 HydrophobicContact CD1-CB 3.82Å; F176-F189 HydrophobicContact CD1-CD2 4.48Å; F176-F189 HydrophobicContact CD2-CD2 4.27Å; F176-F189 HydrophobicContact CE1-CB 3.57Å; F176-F189 HydrophobicContact CE1-CD2 4.1Å; F176-F189 HydrophobicContact CE1-CG 4.25Å; F176-F189 AromaticContact CE2-CD2 3.85Å; F176-F189 HydrophobicContact CE2-CD2 3.85Å; F176-F189 HydrophobicContact CZ-CB 4.09Å; F176-F189 AromaticContact CZ-CD2 3.75Å; F176-F189 HydrophobicContact CZ-CD2 3.75Å; F176-F189 HydrophobicContact CZ-CG 4.28Å; F189-S191 VanDerWaalsContact C-N 3.3Å; F189-S191 PolarHBondContact O-N 3.47Å; F189-L199 HydrophobicContact CE1-CD1 3.71Å; F189-L199 HydrophobicContact CE2-CD1 4.24Å; F189-L199 HydrophobicContact CZ-CD1 3.39Å; F189-L210 HydrophobicContact CB-CD2 4.19Å; F189-L210 HydrophobicContact CD1-CD1 4.23Å; F189-L210 HydrophobicContact CD1-CD2 3.81Å; F189-L210 HydrophobicContact CD1-CG 4.49Å; F189-L210 HydrophobicContact CD2-CD1 4.22Å; F189-L210 HydrophobicContact CE1-CD1 4.03Å; F189-L210 HydrophobicContact CE1-CD2 4.33Å; F189-L210 HydrophobicContact CE2-CD1 4.02Å; F189-L210 HydrophobicContact CG-CD1 4.31Å; F189-L210 HydrophobicContact CG-CD2 3.95Å; F189-L210 HydrophobicContact CZ-CD1 3.92Å
190N96.3Very high92.2Very high13 Ų1347.5 Ų47.57%0.0728%0.278CS..THydrogen-bonded Turntrans53.144.2176-167.439.2000113.6F86 P87 G192 L199 Q244F86-N190 PolarHBondContact O-ND2 3.48Å; P87-N190 PolarHBondContact O-ND2 3.38Å; N190-G192 VanDerWaalsContact C-N 3.3Å; N190-G192 PolarHBondContact O-N 3.41Å; N190-L199 HydrophobicContact CB-CD1 4.27Å; N190-L199 PolarHBondContact OD1-N 3.16Å; N190-Q244 PolarHBondContact ND2-NE2 3.4Å; N190-Q244 WeakPolarHBondContact O-CG 3.47Å; N190-Q244 PolarHBondContact O-NE2 2.88Å
191S93.7Very high92.1Very high25 Ų2544.4 Ų44.418%0.17527%0.265CS..  trans-69.5-24-178.457.50000114T177 F189 A193T177-S191 WeakPolarHBondContact CG2-OG 3.36Å; T177-S191 WeakPolarHBondContact OG1-CB 3.47Å; T177-S191 PolarHBondContact OG1-OG 3.07Å; F189-S191 VanDerWaalsContact C-N 3.3Å; F189-S191 PolarHBondContact O-N 3.47Å; S191-A193 PolarHBondContact O-N 2.97Å; S191-A193 PolarHBondContact OG-N 3.14Å
192G88.3Confident91.9Very high28 Ų2846.8 Ų46.829%0.28928%0.28SS..  trans69.99.7-171.900000114N190N190-G192 VanDerWaalsContact C-N 3.3Å; N190-G192 PolarHBondContact O-N 3.41Å
193A83.5Confident91.9Very high41 Ų4150.9 Ų50.934%0.33930%0.295SS..G310 helixtrans-67.2158.4175.200000111.2T177 S191 G195 A196T177-A193 HydrophobicContact CG2-CB 4.27Å; S191-A193 PolarHBondContact O-N 2.97Å; S191-A193 PolarHBondContact OG-N 3.14Å; A193-G195 PolarHBondContact O-N 3.22Å; A193-G195 VanDerWaalsContact O-N 3.07Å; A193-A196 WeakPolarHBondContact O-CB 3.44Å; A193-A196 PolarHBondContact O-N 3.09Å; A193-A196 VanDerWaalsContact O-N 3.12Å
194D79.1Confident91.9Very high170 Ų17050.8 Ų50.891%0.90930%0.301SS*.G310 helixtrans57.322.8177-53.1-40.6000115.1A196D194-A196 VanDerWaalsContact C-N 3.31Å
195G80.8Confident91.9Very high75 Ų7551.8 Ų51.877%0.77331%0.311SS*.G310 helixtrans75.716.4179.900000114.2A193A193-G195 PolarHBondContact O-N 3.22Å; A193-G195 VanDerWaalsContact O-N 3.07Å
196A87.1Confident91.6Very high60 Ų6056.2 Ų56.250%0.49633%0.334SS..PPolyproline II helixtrans-62.4138.7174.700000111.8A193 D194 L198A193-A196 WeakPolarHBondContact O-CB 3.44Å; A193-A196 PolarHBondContact O-N 3.09Å; A193-A196 VanDerWaalsContact O-N 3.12Å; D194-A196 VanDerWaalsContact C-N 3.31Å; A196-L198 PolarHBondContact O-N 2.86Å
197E91.2Very high91.1Very high181 Ų18158 Ų5885%0.84635%0.352SS*.PPolyproline II helixtrans-66133.9177-68.6-169.6167.600111.4L199E197-L199 PolarHBondContact O-N 3.32Å
198L94.4Very high91Very high71 Ų7158.9 Ų58.937%0.37236%0.358SS..PPolyproline II helixtrans-71.3127.1179.9-60.3-174.7000111.4I85 A196 Q244I85-L198 HydrophobicContact CG2-CB 4.08Å; I85-L198 HydrophobicContact CG2-CD1 4.11Å; A196-L198 PolarHBondContact O-N 2.86Å; L198-Q244 HydrophobicContact CD1-CG 4.43Å; L198-Q244 HydrophobicContact CD2-CG 3.72Å
199L94.9Very high90.8Very high62 Ų6258.8 Ų58.833%0.32536%0.357SS..PPolyproline II helixtrans-68.9139.8176.8-60.4178.3000110.7F86 F166 F189 N190 E197F86-L199 WeakPolarHBondContact CB-O 3.28Å; F86-L199 PolarHBondContact N-O 3.14Å; F166-L199 HydrophobicContact CD1-CD1 3.95Å; F166-L199 HydrophobicContact CE1-CB 3.7Å; F166-L199 HydrophobicContact CE1-CD1 3.88Å; F166-L199 HydrophobicContact CE1-CD2 4.27Å; F166-L199 HydrophobicContact CE1-CG 4.17Å; F166-L199 HydrophobicContact CG-CD1 4.4Å; F166-L199 HydrophobicContact CZ-CB 3.75Å; F166-L199 HydrophobicContact CZ-CD1 4.29Å; F189-L199 HydrophobicContact CE1-CD1 3.71Å; F189-L199 HydrophobicContact CE2-CD1 4.24Å; F189-L199 HydrophobicContact CZ-CD1 3.39Å; N190-L199 HydrophobicContact CB-CD1 4.27Å; N190-L199 PolarHBondContact OD1-N 3.16Å; E197-L199 PolarHBondContact O-N 3.32Å
200T94.5Very high90.8Very high33 Ų3358.7 Ų58.720%0.20236%0.357CS..EExtended strand (participates in β ladder)trans-124.7153.2-18055.10000111R83 L84 I85 R167R83-T200 HydrophobicContact CG-CG2 4.12Å; L84-T200 CarbonylContact O-C 3.54Å; L84-T200 VanDerWaalsContact O-CA 3.24Å; L84-T200 WeakPolarHBondContact O-CA 3.47Å; L84-T200 WeakPolarHBondContact O-CB 3.45Å; I85-T200 HydrophobicContact CG1-CG2 4.1Å; R167-T200 WeakPolarHBondContact CD-O 3.4Å; R167-T200 PolarHBondContact NH1-O 3.24Å
201T93.3Very high90.9Very high2 Ų260.3 Ų60.31%0.01237%0.366CS..EExtended strand (participates in β ladder)trans-112.1150.1168.2-169.60000111.4R83 L84 R203 N208 F415 L418R83-T201 WeakPolarHBondContact CA-O 3.22Å; L84-T201 HydrophobicContact CB-CG2 4.26Å; L84-T201 PolarHBondContact N-O 3.47Å; L84-T201 PolarHBondContact O-N 3.5Å; T201-R203 PolarHBondContact OG1-N 3.42Å; T201-R203 PolarHBondContact OG1-O 3.49Å; T201-N208 PolarHBondContact OG1-O 3.09Å; T201-F415 HydrophobicContact CG2-CD2 3.4Å; T201-F415 VanDerWaalsContact CG2-CD2 3.4Å; T201-F415 HydrophobicContact CG2-CE2 3.8Å; T201-F415 HydrophobicContact CG2-CG 4.46Å; T201-L418 HydrophobicContact CG2-CD2 3.94Å
202T91.5Very high91.1Very high62 Ų6259.2 Ų59.238%0.3836%0.358SS..SBendtrans-1235.1179.462.40000112.3R83 L418R83-T202 HydrophobicContact CG-CG2 4.36Å; T202-L418 WeakPolarHBondContact O-CD1 3.27Å
203R90.8Very high91.5Very high160 Ų16058.9 Ų58.960%0.60435%0.349SS*.SBendtrans-148.8140.8176.7-68.9-171.4-65.8-144.1-1109.7T201 N208T201-R203 PolarHBondContact OG1-N 3.42Å; T201-R203 PolarHBondContact OG1-O 3.49Å; R203-N208 HydrophobicContact CB-CB 4.14Å; R203-N208 WeakPolarHBondContact CB-ND2 3.15Å; R203-N208 PolarHBondContact NE-OD1 2.81Å; R203-N208 VanDerWaalsContact NE-OD1 3.13Å; R203-N208 PolarHBondContact NH2-OD1 2.85Å; R203-N208 VanDerWaalsContact O-CB 3.25Å; R203-N208 WeakPolarHBondContact O-CB 3.38Å
204G91.5Very high92.2Very high24 Ų2456.9 Ų56.925%0.24733%0.333CS..  trans-77.3175.4168.100000112.4N208 F415G204-N208 PolarHBondContact O-ND2 3.26Å; G204-F415 CarbonylContact C-O 3.58Å; G204-F415 WeakPolarHBondContact CA-O 3.21Å
205G91.9Very high93.1Very high24 Ų2449.4 Ų49.425%0.24729%0.293CS..SBendtrans86.2164.4175.600000115.4N208 F415G205-N208 PolarHBondContact O-N 3.41Å; G205-F415 PolarHBondContact N-O 2.78Å
206M89.4Confident93.8Very high132 Ų13245.8 Ų45.865%0.6526%0.256SS*.THydrogen-bonded Turntrans-53.1141179.262.2-175.667.100112.3N208 F414M206-N208 VanDerWaalsContact C-N 3.27Å; M206-N208 PolarHBondContact O-N 3.42Å; M206-F414 HydrophobicContact CB-CD1 4.44Å; M206-F414 HydrophobicContact CB-CE1 4.32Å
207G88.7Confident94.3Very high37 Ų3743.8 Ų43.838%0.38124%0.236SC..THydrogen-bonded Turntrans81.3-13.7-177.900000116.1R167 G168 G209R167-G207 CarbonylContact C-O 3.51Å; R167-G207 WeakPolarHBondContact CA-O 3.32Å; G168-G207 PolarHBondContact N-O 2.82Å; G207-G209 VanDerWaalsContact C-N 3.34Å
208N93.8Very high94.5Very high30 Ų3038.4 Ų38.416%0.1621%0.211CC..SBendtrans-93.35.4167.5-63.6-65.1000112.7R167 T201 R203 G204 G205 M206R167-N208 WeakPolarHBondContact CG-O 3.43Å; T201-N208 PolarHBondContact OG1-O 3.09Å; R203-N208 HydrophobicContact CB-CB 4.14Å; R203-N208 WeakPolarHBondContact CB-ND2 3.15Å; R203-N208 PolarHBondContact NE-OD1 2.81Å; R203-N208 VanDerWaalsContact NE-OD1 3.13Å; R203-N208 PolarHBondContact NH2-OD1 2.85Å; R203-N208 VanDerWaalsContact O-CB 3.25Å; R203-N208 WeakPolarHBondContact O-CB 3.38Å; G204-N208 PolarHBondContact O-ND2 3.26Å; G205-N208 PolarHBondContact O-N 3.41Å; M206-N208 VanDerWaalsContact C-N 3.27Å; M206-N208 PolarHBondContact O-N 3.42Å
209G95.4Very high94.4Very high2 Ų239.5 Ų39.52%0.02121%0.214CC..SBendtrans-111.7-150.9177.300000113.2F166 R167 G207 I413F166-G209 WeakPolarHBondContact CA-O 3.05Å; R167-G209 PolarHBondContact N-O 3.04Å; G207-G209 VanDerWaalsContact C-N 3.34Å; G209-I413 CarbonylContact C-O 3.53Å; G209-I413 WeakPolarHBondContact CA-O 3.35Å
210L97.7Very high94.4Very high1 Ų138.4 Ų38.41%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-97.6119.2173.9177.166.9000109.4F86 V89 F166 F189 I212 D412 I413F86-L210 HydrophobicContact CE1-CB 3.85Å; F86-L210 HydrophobicContact CZ-CB 3.64Å; V89-L210 HydrophobicContact CB-CD2 4.23Å; V89-L210 HydrophobicContact CG1-CD2 4.32Å; V89-L210 HydrophobicContact CG2-CD2 4.25Å; F166-L210 HydrophobicContact CD2-CB 4.39Å; F189-L210 HydrophobicContact CB-CD2 4.19Å; F189-L210 HydrophobicContact CD1-CD1 4.23Å; F189-L210 HydrophobicContact CD1-CD2 3.81Å; F189-L210 HydrophobicContact CD1-CG 4.49Å; F189-L210 HydrophobicContact CD2-CD1 4.22Å; F189-L210 HydrophobicContact CE1-CD1 4.03Å; F189-L210 HydrophobicContact CE1-CD2 4.33Å; F189-L210 HydrophobicContact CE2-CD1 4.02Å; F189-L210 HydrophobicContact CG-CD1 4.31Å; F189-L210 HydrophobicContact CG-CD2 3.95Å; F189-L210 HydrophobicContact CZ-CD1 3.92Å; L210-I212 HydrophobicContact CD1-CG2 3.74Å; L210-I212 HydrophobicContact CD2-CG2 4.42Å; L210-I212 HydrophobicContact CG-CG2 3.93Å; L210-D412 CarbonylContact O-C 3.51Å; L210-D412 WeakPolarHBondContact O-CA 3.49Å; L210-I413 PolarHBondContact N-O 3.4Å; L210-I413 PolarHBondContact O-N 2.95Å
211D97.3Very high94.3Very high47 Ų4738.5 Ų38.525%0.25120%0.204SC..EExtended strand (participates in β ladder)trans-115.5115.7175.5174.219.9000108.5C164 R165 L411C164-D211 CarbonylContact C-O 3.5Å; C164-D211 WeakPolarHBondContact CA-O 3.41Å; R165-D211 HydrophobicContact CB-CB 4.4Å; R165-D211 PolarHBondContact N-O 2.91Å; R165-D211 PolarHBondContact O-N 3.46Å; D211-L411 WeakPolarHBondContact CA-O 3.32Å
212I97.4Very high94.1Very high1 Ų139.7 Ų39.71%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-129.3141.6-18063.3179.4000111.3L91 L161 D163 C164 F176 L210 L214 A410 L411L91-I212 HydrophobicContact CD2-CD1 3.85Å; L161-I212 HydrophobicContact CD1-CB 4.23Å; L161-I212 HydrophobicContact CD1-CG2 4.28Å; D163-I212 WeakPolarHBondContact O-CA 3.45Å; C164-I212 HydrophobicContact CB-CG2 4.25Å; F176-I212 HydrophobicContact CZ-CG2 4.46Å; L210-I212 HydrophobicContact CD1-CG2 3.74Å; L210-I212 HydrophobicContact CD2-CG2 4.42Å; L210-I212 HydrophobicContact CG-CG2 3.93Å; I212-L214 HydrophobicContact CD1-CD1 3.67Å; I212-L214 HydrophobicContact CD1-CG 4.18Å; I212-L214 HydrophobicContact CG1-CD1 4.28Å; I212-L214 HydrophobicContact CG1-CG 4.39Å; I212-A410 CarbonylContact O-C 3.57Å; I212-A410 WeakPolarHBondContact O-CA 3.44Å; I212-L411 HydrophobicContact CD1-CB 4.4Å; I212-L411 HydrophobicContact CD1-CD2 4.03Å; I212-L411 HydrophobicContact CG1-CB 3.82Å; I212-L411 HydrophobicContact CG1-CD2 4.32Å; I212-L411 HydrophobicContact CG1-CG 4.46Å; I212-L411 PolarHBondContact N-O 2.95Å; I212-L411 PolarHBondContact O-N 2.89Å
213M97.4Very high93.9Very high21 Ų2138.8 Ų38.810%0.10321%0.206CC..EExtended strand (participates in β ladder)trans-114.3123169.8-169.2173.567.600108.6L162 D163 V408 L409L162-M213 HydrophobicContact CB-CB 4.36Å; L162-M213 HydrophobicContact CB-CE 3.6Å; L162-M213 HydrophobicContact CB-CG 4.34Å; L162-M213 WeakPolarHBondContact CB-O 3.49Å; L162-M213 HydrophobicContact CD1-CE 4Å; L162-M213 HydrophobicContact CD1-CG 4.33Å; L162-M213 HydrophobicContact CG-CE 4.49Å; L162-M213 PolarHBondContact N-O 3.3Å; D163-M213 HydrophobicContact CB-CB 4.08Å; D163-M213 HydrophobicContact CB-CE 4.3Å; D163-M213 PolarHBondContact N-O 2.79Å; D163-M213 PolarHBondContact O-N 3.06Å; M213-V408 HydrophobicContact CG-CG1 3.7Å; M213-V408 HydrophobicContact SD-CG1 3.96Å; M213-L409 CarbonylContact C-O 3.57Å; M213-L409 WeakPolarHBondContact CA-O 3.41Å
214L97.9Very high93.5Very high0 Ų034.8 Ų34.80%020%0.199CC..EExtended strand (participates in β ladder)trans-121.6145.2-173.4-66.5169.3000111.4L91 L157 M160 L161 I212 I237 V408 L409L91-L214 HydrophobicContact CD2-CD1 4.37Å; L157-L214 HydrophobicContact CD1-CD2 4.35Å; M160-L214 HydrophobicContact CB-CD2 4.28Å; M160-L214 CarbonylContact O-C 3.5Å; M160-L214 VanDerWaalsContact O-CA 3.25Å; M160-L214 WeakPolarHBondContact O-CA 3.42Å; L161-L214 HydrophobicContact CB-CD2 4.28Å; L161-L214 HydrophobicContact CD1-CD2 3.67Å; I212-L214 HydrophobicContact CD1-CD1 3.67Å; I212-L214 HydrophobicContact CD1-CG 4.18Å; I212-L214 HydrophobicContact CG1-CD1 4.28Å; I212-L214 HydrophobicContact CG1-CG 4.39Å; L214-I237 HydrophobicContact CD1-CD1 3.46Å; L214-I237 VanDerWaalsContact CD1-CD1 3.46Å; L214-V408 WeakPolarHBondContact O-CA 3.47Å; L214-L409 HydrophobicContact CB-CD1 3.83Å; L214-L409 HydrophobicContact CB-CG 4.11Å; L214-L409 HydrophobicContact CD1-CD1 4.08Å; L214-L409 HydrophobicContact CG-CD1 4.35Å; L214-L409 PolarHBondContact N-O 2.8Å; L214-L409 PolarHBondContact O-N 2.94Å
215D97.4Very high92.8Very high12 Ų1238.2 Ų38.26%0.06420%0.204CC..EExtended strand (participates in β ladder)trans-101.2118.5166.1-172.1-12.9000109.1M160 L162 Q217 Y403 N407M160-D215 WeakPolarHBondContact CG-O 3.41Å; M160-D215 PolarHBondContact O-N 3.06Å; L162-D215 HydrophobicContact CD1-CB 4.11Å; L162-D215 HydrophobicContact CD2-CB 4.2Å; L162-D215 HydrophobicContact CG-CB 4.15Å; D215-Q217 VanDerWaalsContact C-N 3.31Å; D215-Q217 HydrophobicContact CB-CG 4.42Å; D215-Q217 PolarHBondContact OD1-N 2.71Å; D215-Y403 WeakPolarHBondContact OD2-CE1 3.42Å; D215-Y403 PolarHBondContact OD2-OH 2.94Å; D215-N407 WeakPolarHBondContact OD1-CB 3.43Å
216V97Very high91.9Very high0 Ų041 Ų410%021%0.207CC..  trans-77.1-18.8179.3-52.70000112.8N93 Q218 Y221 V235 I237 N407 L409N93-V216 PolarHBondContact ND2-O 2.75Å; V216-Q218 HydrophobicContact CG2-CG 3.86Å; V216-Y221 WeakPolarHBondContact O-CE1 3.47Å; V216-V235 HydrophobicContact CG2-CG1 4.06Å; V216-I237 HydrophobicContact CG1-CG2 4.22Å; V216-N407 HydrophobicContact CG2-CB 4.25Å; V216-N407 WeakPolarHBondContact CG2-O 3.24Å; V216-N407 PolarHBondContact N-O 3.23Å; V216-L409 HydrophobicContact CG1-CD2 3.52Å; V216-L409 HydrophobicContact CG1-CG 4.41Å
217Q96.6Very high90.9Very high18 Ų1841.2 Ų41.28%0.08421%0.211CC..  trans58.158.2178.3-53.3172.8-28.100113.7H155 D159 D215 E219 E220 Y221H155-Q217 PolarHBondContact ND1-OE1 2.69Å; D159-Q217 PolarHBondContact O-NE2 2.81Å; D159-Q217 VanDerWaalsContact O-NE2 3.09Å; D215-Q217 VanDerWaalsContact C-N 3.31Å; D215-Q217 HydrophobicContact CB-CG 4.42Å; D215-Q217 PolarHBondContact OD1-N 2.71Å; Q217-E219 PolarHBondContact O-N 2.92Å; Q217-E219 VanDerWaalsContact O-N 3.07Å; Q217-E220 HydrophobicContact CB-CB 4.32Å; Q217-E220 HydrophobicContact CB-CG 4.37Å; Q217-E220 WeakPolarHBondContact O-CB 3.48Å; Q217-E220 PolarHBondContact O-N 2.83Å; Q217-Y221 WeakPolarHBondContact O-CD1 3.35Å
218Q95.1Very high90Very high67 Ų6742.1 Ų42.131%0.31321%0.207SC..G310 helixtrans-55.3-28.3177.7-69.8-167.755.300113.5V216 E220 Y221 V235 E406 N407V216-Q218 HydrophobicContact CG2-CG 3.86Å; Q218-E220 PolarHBondContact O-N 2.71Å; Q218-E220 VanDerWaalsContact O-N 3.16Å; Q218-Y221 VanDerWaalsContact CA-CD1 3.49Å; Q218-Y221 WeakPolarHBondContact O-CB 3.32Å; Q218-Y221 PolarHBondContact O-N 2.82Å; Q218-V235 VanDerWaalsContact CD-CG1 3.43Å; Q218-V235 HydrophobicContact CG-CG1 3.48Å; Q218-V235 VanDerWaalsContact CG-CG1 3.48Å; Q218-V235 HydrophobicContact CG-CG2 4.43Å; Q218-E406 PolarHBondContact NE2-O 3.21Å; Q218-N407 WeakPolarHBondContact CB-OD1 3.25Å; Q218-N407 VanDerWaalsContact CG-OD1 3.26Å; Q218-N407 WeakPolarHBondContact CG-OD1 3.21Å; Q218-N407 PolarHBondContact N-OD1 3.48Å
219E93.3Very high88.5Confident95 Ų9550.2 Ų50.244%0.44424%0.244SC..G310 helixtrans-61.1-20.8175.263.1-168.6-177.900113.6Q217 R399 Y403Q217-E219 PolarHBondContact O-N 2.92Å; Q217-E219 VanDerWaalsContact O-N 3.07Å; E219-R399 IonicContact OE1-CZ 3.8Å; E219-R399 IonicContact OE1-NH1 3.47Å; E219-R399 PolarHBondContact OE1-NH1 3.33Å; E219-R399 IonicContact OE1-NH2 3.28Å; E219-R399 PolarHBondContact OE1-NH2 2.96Å; E219-R399 IonicContact OE2-NH1 3.87Å; E219-R399 PolarHBondContact OE2-NH1 3.41Å; E219-Y403 HydrophobicContact CG-CE2 4.45Å; E219-Y403 PolarHBondContact OE1-OH 3.38Å; E219-Y403 WeakPolarHBondContact OE2-CE2 3.44Å
220E94.2Very high87.1Confident38 Ų3854.6 Ų54.618%0.17826%0.264CS..G310 helixtrans-95.51.9176.9-71.2-69.8176.800113.6N95 R98 R99 S100 Q217 Q218N95-E220 PolarHBondContact ND2-O 3.46Å; N95-E220 VanDerWaalsContact ND2-O 3.17Å; R98-E220 WeakPolarHBondContact CA-O 3.4Å; R98-E220 HydrophobicContact CB-CB 4.25Å; R98-E220 HydrophobicContact CG-CB 4.08Å; R98-E220 HydrophobicContact CG-CG 4.42Å; R99-E220 WeakPolarHBondContact CB-O 3.27Å; R99-E220 PolarHBondContact N-O 3.37Å; R99-E220 PolarHBondContact N-OE2 2.84Å; S100-E220 WeakPolarHBondContact CB-OE1 3.31Å; S100-E220 WeakPolarHBondContact CB-OE2 3.18Å; S100-E220 PolarHBondContact N-OE2 3.31Å; S100-E220 PolarHBondContact OG-OE1 2.03Å; S100-E220 PolarHBondContact OG-OE2 3.48Å; Q217-E220 HydrophobicContact CB-CB 4.32Å; Q217-E220 HydrophobicContact CB-CG 4.37Å; Q217-E220 WeakPolarHBondContact O-CB 3.48Å; Q217-E220 PolarHBondContact O-N 2.83Å; Q218-E220 PolarHBondContact O-N 2.71Å; Q218-E220 VanDerWaalsContact O-N 3.16Å
221Y93Very high85.7Confident35 Ų3556 Ų5614%0.13727%0.273CS..PPolyproline II helixtrans-70.6144.6-179.4-80.138.1000111.2N93 N95 V216 Q217 Q218 V235 G236N93-Y221 PolarHBondContact OD1-OH 3.02Å; N95-Y221 HydrophobicContact CB-CD1 3.59Å; N95-Y221 HydrophobicContact CB-CD2 3.91Å; N95-Y221 HydrophobicContact CB-CE1 3.58Å; N95-Y221 HydrophobicContact CB-CE2 3.88Å; N95-Y221 HydrophobicContact CB-CG 3.78Å; V216-Y221 WeakPolarHBondContact O-CE1 3.47Å; Q217-Y221 WeakPolarHBondContact O-CD1 3.35Å; Q218-Y221 VanDerWaalsContact CA-CD1 3.49Å; Q218-Y221 WeakPolarHBondContact O-CB 3.32Å; Q218-Y221 PolarHBondContact O-N 2.82Å; Y221-V235 HydrophobicContact CE2-CB 4.44Å; Y221-V235 HydrophobicContact CE2-CG1 4.34Å; Y221-V235 HydrophobicContact CE2-CG2 4.11Å; Y221-G236 PolarHBondContact OH-N 3.14Å; Y221-G236 PolarHBondContact OH-O 2.92Å
222L89.4Confident84.7Confident28 Ų2856.2 Ų56.215%0.14728%0.277CS..PPolyproline II helixtrans-71.6136.1173.9-60.8-173.6000110.3N95 L97 R99 L102 L115 L129 V224N95-L222 PolarHBondContact OD1-N 2.99Å; L97-L222 HydrophobicContact CB-CD1 4.15Å; L97-L222 WeakPolarHBondContact O-CG 3.38Å; R99-L222 HydrophobicContact CB-CD2 4.18Å; L102-L222 HydrophobicContact CD1-CD1 4.23Å; L102-L222 HydrophobicContact CD1-CD2 3.43Å; L102-L222 VanDerWaalsContact CD1-CD2 3.43Å; L102-L222 HydrophobicContact CG-CD2 4.42Å; L115-L222 HydrophobicContact CD1-CD1 4.43Å; L115-L222 HydrophobicContact CD2-CD1 3.66Å; L129-L222 HydrophobicContact CD2-CD2 4.38Å; L222-V224 PolarHBondContact O-N 3.39Å
223P86.7Confident84.1Confident43 Ų4362.9 Ų62.928%0.27931%0.306SS..PPolyproline II helixtrans-67.5133.7175.328.4-32.1000109.5F125 L129 W225F125-P223 HydrophobicContact CD2-CG 4.4Å; F125-P223 HydrophobicContact CE2-CG 3.76Å; F125-P223 HydrophobicContact CZ-CG 4.07Å; L129-P223 HydrophobicContact CD2-CG 3.77Å; P223-W225 PolarHBondContact O-N 3.49Å
224V81.6Confident83.8Confident75 Ų7566.8 Ų66.846%0.45532%0.324SS..PPolyproline II helixtrans-69.5116.1173.7-175.60000108.5L222 F233L222-V224 PolarHBondContact O-N 3.39Å; V224-F233 HydrophobicContact CG1-CE1 3.85Å; V224-F233 HydrophobicContact CG1-CZ 4.35Å; V224-F233 HydrophobicContact CG2-CD1 4.38Å; V224-F233 HydrophobicContact CG2-CE1 4.37Å
225W77.1Confident83.7Confident96 Ų9669.2 Ų69.236%0.36434%0.339SS..  trans-106.7-37.1-176.4-158.6-93.2000112.9L117 A124 F125 A128 P223L117-W225 HydrophobicContact CD2-CB 3.9Å; L117-W225 HydrophobicContact CD2-CD2 4.32Å; L117-W225 HydrophobicContact CD2-CG 3.58Å; A124-W225 HydrophobicContact CB-CH2 3.99Å; A124-W225 HydrophobicContact CB-CZ2 3.96Å; F125-W225 HydrophobicContact CD2-CB 4.28Å; F125-W225 AromaticContact CD2-CD2 3.93Å; F125-W225 HydrophobicContact CD2-CD2 3.93Å; F125-W225 AromaticContact CD2-CE3 3.74Å; F125-W225 HydrophobicContact CD2-CE3 3.74Å; F125-W225 HydrophobicContact CD2-CG 4.19Å; F125-W225 HydrophobicContact CD2-CZ3 4.37Å; F125-W225 HydrophobicContact CE2-CB 4.27Å; F125-W225 HydrophobicContact CE2-CE3 4.41Å; A128-W225 HydrophobicContact CB-CZ3 3.77Å; P223-W225 PolarHBondContact O-N 3.49Å
226R73.6Confident83.6Confident83 Ų8368.7 Ų68.731%0.31334%0.336SS..SBendtrans-133.9149.2175.1-68.7-174.8179.5-179.4-7.1108.8G116 D118 E121 N228 T231G116-R226 WeakPolarHBondContact O-CD 3.3Å; G116-R226 PolarHBondContact O-NH1 3.26Å; D118-R226 IonicContact OD2-CZ 3.94Å; D118-R226 IonicContact OD2-NH1 3.1Å; D118-R226 PolarHBondContact OD2-NH1 3.14Å; D118-R226 VanDerWaalsContact OD2-NH1 3.14Å; D118-R226 IonicContact OD2-NH2 3Å; D118-R226 PolarHBondContact OD2-NH2 3.27Å; E121-R226 IonicContact OE1-CZ 3.35Å; E121-R226 IonicContact OE1-NE 3.77Å; E121-R226 IonicContact OE1-NH2 3.38Å; E121-R226 PolarHBondContact OE1-NH2 3.2Å; E121-R226 IonicContact OE2-CZ 3.89Å; E121-R226 IonicContact OE2-NE 3.06Å; E121-R226 IonicContact OE2-NH2 3.57Å; E121-R226 PolarHBondContact OE2-NH2 2.77Å; R226-N228 PolarHBondContact O-N 3.44Å; R226-T231 WeakPolarHBondContact O-CG2 3.31Å
227D68.9Low83.6Confident137 Ų13768.7 Ų68.773%0.73334%0.336SS*.  trans-79.299170.8-168.814.8000108
228N68.3Low83.6Confident55 Ų5570.7 Ų70.729%0.29434%0.342SS..  trans-117.8155.2175.3-59.2-19000108.3L115 R226 E230 T231L115-N228 PolarHBondContact O-ND2 2.93Å; R226-N228 PolarHBondContact O-N 3.44Å; N228-E230 PolarHBondContact O-N 3.45Å; N228-T231 HydrophobicContact CB-CG2 4.31Å; N228-T231 PolarHBondContact N-OG1 3.49Å; N228-T231 PolarHBondContact O-N 2.95Å; N228-T231 PolarHBondContact O-OG1 3.38Å
229E64.3Low83.8Confident200 Ų20067.5 Ų67.594%0.93533%0.328SS*.THydrogen-bonded Turntrans-58.4-25.6178.2-64.2-177.317800113.1
230E65.1Low84Confident95 Ų9563.4 Ų63.444%0.44431%0.309SS..THydrogen-bonded Turntrans-92.3-2.2-179.7-61.2-174.3161.100114.2N228 P232 H352N228-E230 PolarHBondContact O-N 3.45Å; E230-P232 WeakPolarHBondContact O-CD 3.33Å; E230-H352 IonicContact OE1-CE1 3.89Å; E230-H352 PolarHBondContact OE1-CE1 3.48Å; E230-H352 IonicContact OE1-ND1 2.7Å; E230-H352 PolarHBondContact OE1-ND1 3.39Å; E230-H352 VanDerWaalsContact OE1-ND1 3.1Å
231T68.4Low84.1Confident30 Ų3062.9 Ų62.918%0.18431%0.307CS..  trans-80.4113.9179.341.80000111.8R226 N228 F233R226-T231 WeakPolarHBondContact O-CG2 3.31Å; N228-T231 HydrophobicContact CB-CG2 4.31Å; N228-T231 PolarHBondContact N-OG1 3.49Å; N228-T231 PolarHBondContact O-N 2.95Å; N228-T231 PolarHBondContact O-OG1 3.38Å; T231-F233 PolarHBondContact O-N 3.32Å
232P76.3Confident84.2Confident52 Ų5261.6 Ų61.634%0.33830%0.302SS..  trans-76.9120.8178.530.3-31.9000110.5I94 E230 E234I94-P232 HydrophobicContact CG2-CB 3.49Å; I94-P232 VanDerWaalsContact CG2-CB 3.49Å; I94-P232 HydrophobicContact CG2-CG 4.21Å; E230-P232 WeakPolarHBondContact O-CD 3.33Å; P232-E234 VanDerWaalsContact C-N 3.32Å
233F85.4Confident84.5Confident141 Ų14161.1 Ų61.162%0.61830%0.301SS*.  trans-87.1-9168-60.9-78.5000112.6V224 T231V224-F233 HydrophobicContact CG1-CE1 3.85Å; V224-F233 HydrophobicContact CG1-CZ 4.35Å; V224-F233 HydrophobicContact CG2-CD1 4.38Å; V224-F233 HydrophobicContact CG2-CE1 4.37Å; T231-F233 PolarHBondContact O-N 3.32Å
234E91.3Very high84.7Confident103 Ų10361 Ų6148%0.48130%0.297SS..  trans-83149.1-175.8-61.2173.3171.100111I94 P232 R238I94-E234 HydrophobicContact CD1-CB 3.77Å; I94-E234 HydrophobicContact CG2-CB 4.11Å; I94-E234 WeakPolarHBondContact CG2-O 3.37Å; P232-E234 VanDerWaalsContact C-N 3.32Å; E234-R238 IonicContact OE1-NH2 3.65Å; E234-R238 IonicContact OE2-CZ 2.77Å; E234-R238 IonicContact OE2-NE 3.49Å; E234-R238 IonicContact OE2-NH2 2.8Å; E234-R238 PolarHBondContact OE2-NH2 3.45Å
235V94.1Very high85Confident51 Ų5163 Ų6331%0.30930%0.301SS..  trans-119.6135.3170.9178.40000108.7V216 Q218 Y221 P259V216-V235 HydrophobicContact CG2-CG1 4.06Å; Q218-V235 VanDerWaalsContact CD-CG1 3.43Å; Q218-V235 HydrophobicContact CG-CG1 3.48Å; Q218-V235 VanDerWaalsContact CG-CG1 3.48Å; Q218-V235 HydrophobicContact CG-CG2 4.43Å; Y221-V235 HydrophobicContact CE2-CB 4.44Å; Y221-V235 HydrophobicContact CE2-CG1 4.34Å; Y221-V235 HydrophobicContact CE2-CG2 4.11Å; V235-P259 HydrophobicContact CG1-CG 3.91Å
236G95.9Very high85.6Confident0 Ų060.5 Ų60.50%029%0.293CS..SBendtrans139.1-162-17700000111.8I94 Y221 V257I94-G236 WeakPolarHBondContact CB-O 3.36Å; I94-G236 WeakPolarHBondContact CG1-O 3.45Å; I94-G236 PolarHBondContact N-O 2.89Å; Y221-G236 PolarHBondContact OH-N 3.14Å; Y221-G236 PolarHBondContact OH-O 2.92Å; G236-V257 VanDerWaalsContact CA-O 3.31Å; G236-V257 WeakPolarHBondContact CA-O 3.42Å
237I97.2Very high86.4Confident0 Ų058.1 Ų58.10%029%0.289CS..EExtended strand (participates in β ladder)trans-120.5154.4172.364.2175.1000109.4C92 M160 L214 V216 V239 V257 L409C92-I237 CarbonylContact O-C 3.57Å; C92-I237 WeakPolarHBondContact O-CA 3.34Å; C92-I237 WeakPolarHBondContact O-CB 3.25Å; M160-I237 HydrophobicContact CE-CG2 4.04Å; L214-I237 HydrophobicContact CD1-CD1 3.46Å; L214-I237 VanDerWaalsContact CD1-CD1 3.46Å; V216-I237 HydrophobicContact CG1-CG2 4.22Å; I237-V239 HydrophobicContact CD1-CG2 3.77Å; I237-V239 HydrophobicContact CG1-CG2 4.01Å; I237-V257 HydrophobicContact CD1-CB 4.34Å; I237-V257 HydrophobicContact CG1-CB 3.77Å; I237-V257 HydrophobicContact CG1-CG2 4.33Å; I237-V257 PolarHBondContact N-O 3.02Å; I237-V257 VanDerWaalsContact N-O 3.12Å; I237-V257 PolarHBondContact O-N 3.12Å; I237-L409 HydrophobicContact CD1-CD1 3.81Å; I237-L409 HydrophobicContact CD1-CD2 4.13Å; I237-L409 HydrophobicContact CG1-CD1 4.43Å; I237-L409 HydrophobicContact CG1-CD2 3.89Å; I237-L409 HydrophobicContact CG2-CD2 4.26Å
238R97.3Very high87.6Confident60 Ų6053.1 Ų53.123%0.22626%0.263CS..EExtended strand (participates in β ladder)trans-99.5143.7162-68.7-165.2178-158.1-1.4109.7L91 C92 I94 M183 E234 I250 D251 L255L91-R238 WeakPolarHBondContact CA-O 3.48Å; C92-R238 PolarHBondContact N-O 2.9Å; C92-R238 PolarHBondContact O-N 3.2Å; I94-R238 HydrophobicContact CG1-CG 4.16Å; M183-R238 HydrophobicContact CE-CB 3.99Å; M183-R238 HydrophobicContact CE-CG 3.85Å; M183-R238 HydrophobicContact SD-CB 3.94Å; M183-R238 HydrophobicContact SD-CG 4.15Å; E234-R238 IonicContact OE1-NH2 3.65Å; E234-R238 IonicContact OE2-CZ 2.77Å; E234-R238 IonicContact OE2-NE 3.49Å; E234-R238 IonicContact OE2-NH2 2.8Å; E234-R238 PolarHBondContact OE2-NH2 3.45Å; R238-I250 VanDerWaalsContact C-CD1 3.48Å; R238-I250 HydrophobicContact CB-CD1 3.89Å; R238-I250 HydrophobicContact CB-CG1 3.77Å; R238-I250 WeakPolarHBondContact O-CD1 3.42Å; R238-D251 PolarHBondContact NH1-O 2.96Å; R238-L255 CarbonylContact C-O 3.57Å; R238-L255 VanDerWaalsContact CA-O 3.31Å; R238-L255 WeakPolarHBondContact CA-O 3.46Å
239V97.8Very high88.8Confident1 Ų151.6 Ų51.61%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-130.8131.9-179-177.30000109.5V89 T90 L91 I237 G254 L255 V257 L411 I413V89-V239 HydrophobicContact CG1-CG1 3.76Å; T90-V239 CarbonylContact O-C 3.27Å; T90-V239 VanDerWaalsContact O-CA 3.28Å; T90-V239 WeakPolarHBondContact O-CA 3.38Å; L91-V239 HydrophobicContact CB-CG2 4.37Å; I237-V239 HydrophobicContact CD1-CG2 3.77Å; I237-V239 HydrophobicContact CG1-CG2 4.01Å; V239-G254 CarbonylContact O-C 3.55Å; V239-G254 VanDerWaalsContact O-CA 3.27Å; V239-G254 WeakPolarHBondContact O-CA 3.31Å; V239-L255 HydrophobicContact CB-CD1 4.17Å; V239-L255 HydrophobicContact CB-CG 4.11Å; V239-L255 PolarHBondContact N-O 3.5Å; V239-L255 WeakPolarHBondContact O-CG 3.12Å; V239-L255 PolarHBondContact O-N 2.8Å; V239-V257 HydrophobicContact CB-CG2 4.46Å; V239-V257 HydrophobicContact CG2-CG2 3.79Å; V239-L411 HydrophobicContact CG1-CD2 4.23Å; V239-L411 HydrophobicContact CG2-CD2 3.78Å; V239-I413 HydrophobicContact CG1-CD1 4.28Å
240Q97.6Very high90.2Very high9 Ų942 Ų424%0.04221%0.211CC..EExtended strand (participates in β ladder)trans-121.7129.9172-173.1-1770.900109.6T90 H242 P248 I249 I250T90-Q240 PolarHBondContact N-O 3Å; T90-Q240 PolarHBondContact O-N 3.28Å; Q240-H242 HydrophobicContact CG-CB 4.5Å; Q240-P248 VanDerWaalsContact OE1-CB 3.29Å; Q240-I249 VanDerWaalsContact OE1-C 3.31Å; Q240-I250 HydrophobicContact CB-CB 4.3Å; Q240-I250 HydrophobicContact CB-CD1 4.46Å; Q240-I250 HydrophobicContact CB-CG1 4.12Å
241I97.4Very high91.4Very high26 Ų2639.5 Ų39.513%0.13320%0.2CC..EExtended strand (participates in β ladder)trans-104.3120.7174.5-56.9174.4000106.7P87 V265 C267 Y375 I413P87-I241 HydrophobicContact CB-CG2 3.53Å; P87-I241 HydrophobicContact CG-CG2 3.51Å; I241-V265 HydrophobicContact CD1-CG1 3.69Å; I241-C267 VanDerWaalsContact CD1-SG 3.58Å; I241-Y375 HydrophobicContact CG2-CD2 4.2Å; I241-Y375 HydrophobicContact CG2-CG 4.08Å; I241-I413 HydrophobicContact CD1-CD1 4.26Å; I241-I413 HydrophobicContact CD1-CG1 4.39Å; I241-I413 HydrophobicContact CD1-CG2 3.84Å; I241-I413 HydrophobicContact CG1-CD1 4.48Å
242H95.6Very high92.3Very high9 Ų943 Ų434%0.04221%0.214CC..EExtended strand (participates in β ladder)trans-148168.9-173.161.294.1000112A88 T90 Q240 E246A88-H242 PolarHBondContact N-O 3.25Å; A88-H242 PolarHBondContact O-N 3.1Å; T90-H242 PolarHBondContact OG1-NE2 3.13Å; Q240-H242 HydrophobicContact CG-CB 4.5Å; H242-E246 PolarHBondContact CE1-O 3.2Å; H242-E246 VanDerWaalsContact CE1-O 3.32Å; H242-E246 PolarHBondContact ND1-O 3.07Å
243S94.1Very high93Very high17 Ų1744.8 Ų44.812%0.11922%0.221CC..  trans-69149.1169.7-1760000110E245 E246S243-E245 PolarHBondContact O-N 2.98Å; S243-E246 PolarHBondContact O-N 3.05Å
244Q92.4Very high93.4Very high42 Ų4238.9 Ų38.920%0.19620%0.199CC..THydrogen-bonded Turntrans-58.8-28.9177.1-71.3806.300113.1F86 A88 N190 L198 E246F86-Q244 PolarHBondContact O-NE2 2.9Å; A88-Q244 HydrophobicContact CB-CG 4.25Å; N190-Q244 PolarHBondContact ND2-NE2 3.4Å; N190-Q244 WeakPolarHBondContact O-CG 3.47Å; N190-Q244 PolarHBondContact O-NE2 2.88Å; L198-Q244 HydrophobicContact CD1-CG 4.43Å; L198-Q244 HydrophobicContact CD2-CG 3.72Å; Q244-E246 VanDerWaalsContact C-N 3.32Å
245E87.3Confident93.6Very high116 Ų11634.8 Ų34.854%0.54218%0.181SC..THydrogen-bonded Turntrans-76.9-19.2179-65.7176.6-176.300113.5S243 P309 T311S243-E245 PolarHBondContact O-N 2.98Å; E245-P309 HydrophobicContact CB-CG 3.87Å; E245-P309 HydrophobicContact CG-CG 3.58Å; E245-P309 WeakPolarHBondContact OE2-CG 3.45Å; E245-T311 HydrophobicContact CB-CG2 4.23Å; E245-T311 WeakPolarHBondContact O-CG2 3.05Å
246E88.9Confident93.7Very high43 Ų4334.6 Ų34.620%0.20119%0.189CC..SBendtrans-95.9124.1-174.8-172.1171.6-157.400110.4H242 S243 Q244 T311 M313H242-E246 PolarHBondContact CE1-O 3.2Å; H242-E246 VanDerWaalsContact CE1-O 3.32Å; H242-E246 PolarHBondContact ND1-O 3.07Å; S243-E246 PolarHBondContact O-N 3.05Å; Q244-E246 VanDerWaalsContact C-N 3.32Å; E246-T311 HydrophobicContact CB-CG2 4.25Å; E246-M313 HydrophobicContact CG-CB 3.94Å; E246-M313 HydrophobicContact CG-CG 4.13Å; E246-M313 WeakPolarHBondContact OE1-CG 3.32Å
247P91.8Very high93.8Very high34 Ų3434.8 Ų34.822%0.22119%0.19CC..PPolyproline II helixtrans-69.9142.2175.128-32.2000110.6T311 M313 L317P247-T311 WeakPolarHBondContact CD-OG1 3.45Å; P247-M313 HydrophobicContact CG-CB 4.4Å; P247-L317 HydrophobicContact CB-CD2 4.16Å; P247-L317 HydrophobicContact CG-CD2 4.33Å
248P94.2Very high93.8Very high31 Ų3136.7 Ų36.720%0.20120%0.203CC..PPolyproline II helixtrans-75.3131.5-17726.7-30.6000112.3T90 I179 Q240T90-P248 HydrophobicContact CG2-CB 3.9Å; T90-P248 HydrophobicContact CG2-CG 4.04Å; I179-P248 HydrophobicContact CD1-CB 4.41Å; I179-P248 HydrophobicContact CD1-CG 3.24Å; Q240-P248 VanDerWaalsContact OE1-CB 3.29Å
249I92.4Very high93.8Very high23 Ų2334.8 Ų34.812%0.11820%0.199CC..  trans-118.965.6171.5-49.8-164.4000107.7Q240 D251 Q252 L253 M313Q240-I249 VanDerWaalsContact OE1-C 3.31Å; I249-D251 VanDerWaalsContact C-N 3.3Å; I249-D251 VanDerWaalsContact CG2-OD1 3.25Å; I249-D251 WeakPolarHBondContact CG2-OD1 3.32Å; I249-D251 PolarHBondContact O-N 3.05Å; I249-Q252 HydrophobicContact CG2-CB 4.08Å; I249-Q252 HydrophobicContact CG2-CG 4.04Å; I249-Q252 PolarHBondContact O-N 2.84Å; I249-L253 PolarHBondContact O-N 3.04Å; I249-M313 HydrophobicContact CD1-CB 3.73Å; I249-M313 HydrophobicContact CD1-CG 4.02Å; I249-M313 HydrophobicContact CD1-SD 3.54Å; I249-M313 VanDerWaalsContact CD1-SD 3.54Å; I249-M313 HydrophobicContact CG1-CB 4.06Å; I249-M313 HydrophobicContact CG1-CG 4.28Å; I249-M313 HydrophobicContact CG1-SD 4.17Å
250I94Very high93.7Very high0 Ų035 Ų350%020%0.202CC..Hα-helixtrans-70.7-23.1-169.9-168.9169.4000113.8T90 C92 T181 M183 R238 Q240 Q252 G254T90-I250 HydrophobicContact CG2-CD1 4.18Å; C92-I250 HydrophobicContact CB-CD1 3.92Å; C92-I250 WeakPolarHBondContact SG-CD1 3.46Å; C92-I250 VanDerWaalsContact SG-CG2 3.53Å; T181-I250 HydrophobicContact CG2-CG2 3.96Å; M183-I250 HydrophobicContact CG-CG2 4.24Å; M183-I250 HydrophobicContact SD-CG1 4.3Å; M183-I250 HydrophobicContact SD-CG2 3.79Å; R238-I250 VanDerWaalsContact C-CD1 3.48Å; R238-I250 HydrophobicContact CB-CD1 3.89Å; R238-I250 HydrophobicContact CB-CG1 3.77Å; R238-I250 WeakPolarHBondContact O-CD1 3.42Å; Q240-I250 HydrophobicContact CB-CB 4.3Å; Q240-I250 HydrophobicContact CB-CD1 4.46Å; Q240-I250 HydrophobicContact CB-CG1 4.12Å; I250-Q252 VanDerWaalsContact C-N 3.25Å; I250-Q252 PolarHBondContact O-N 2.61Å; I250-G254 WeakPolarHBondContact O-CA 3.43Å; I250-G254 PolarHBondContact O-N 2.86Å; I250-G254 VanDerWaalsContact O-N 3.09Å
251D89.6Confident93.7Very high41 Ų4139.4 Ų39.422%0.21922%0.219CC..Hα-helixtrans-62.8-33.9173.359.5-51.3000111.7R182 M183 R238 I249R182-D251 HydrophobicContact CB-CB 4.29Å; R182-D251 WeakPolarHBondContact CD-OD2 3.39Å; R182-D251 IonicContact NE-OD2 3.91Å; R182-D251 IonicContact NH1-OD2 2.89Å; R182-D251 PolarHBondContact NH1-OD2 3.4Å; M183-D251 HydrophobicContact CG-CB 4.41Å; R238-D251 PolarHBondContact NH1-O 2.96Å; I249-D251 VanDerWaalsContact C-N 3.3Å; I249-D251 VanDerWaalsContact CG2-OD1 3.25Å; I249-D251 WeakPolarHBondContact CG2-OD1 3.32Å; I249-D251 PolarHBondContact O-N 3.05Å
252Q88.6Confident93.7Very high105 Ų10540.7 Ų40.749%0.49122%0.224SC..Hα-helixtrans-101.2-41-178-60.8-179.26.400113.5I249 I250I249-Q252 HydrophobicContact CG2-CB 4.08Å; I249-Q252 HydrophobicContact CG2-CG 4.04Å; I249-Q252 PolarHBondContact O-N 2.84Å; I250-Q252 VanDerWaalsContact C-N 3.25Å; I250-Q252 PolarHBondContact O-N 2.61Å
253L90.8Very high93.8Very high89 Ų8940.2 Ų40.247%0.46622%0.222SC..Hα-helixtrans-108.6-3.1-170.3-60.2178.6000113.9I249 M313I249-L253 PolarHBondContact O-N 3.04Å; L253-M313 HydrophobicContact CD1-CG 4.44Å; L253-M313 HydrophobicContact CD1-SD 3.91Å
254G93.3Very high94Very high16 Ų1640.9 Ų40.917%0.16522%0.222CC..PPolyproline II helixtrans-73139179.900000112.9V239 I250V239-G254 CarbonylContact O-C 3.55Å; V239-G254 VanDerWaalsContact O-CA 3.27Å; V239-G254 WeakPolarHBondContact O-CA 3.31Å; I250-G254 WeakPolarHBondContact O-CA 3.43Å; I250-G254 PolarHBondContact O-N 2.86Å; I250-G254 VanDerWaalsContact O-N 3.09Å
255L95.6Very high94.3Very high18 Ų1838.9 Ų38.99%0.09421%0.213CC..EExtended strand (participates in β ladder)trans-83.6141.7167.869.694.4000110R238 V239 V257 K377 L379R238-L255 CarbonylContact C-O 3.57Å; R238-L255 VanDerWaalsContact CA-O 3.31Å; R238-L255 WeakPolarHBondContact CA-O 3.46Å; V239-L255 HydrophobicContact CB-CD1 4.17Å; V239-L255 HydrophobicContact CB-CG 4.11Å; V239-L255 PolarHBondContact N-O 3.5Å; V239-L255 WeakPolarHBondContact O-CG 3.12Å; V239-L255 PolarHBondContact O-N 2.8Å; L255-V257 HydrophobicContact CD1-CG2 3.37Å; L255-K377 HydrophobicContact CD2-CD 3.81Å; L255-L379 HydrophobicContact CB-CD2 4.48Å; L255-L379 HydrophobicContact CD1-CD2 4.04Å
256G96.1Very high94.7Very high47 Ų4734.1 Ų34.149%0.48519%0.193SC..EExtended strand (participates in β ladder)trans-83.1135.5173.700000111.8
257V97.5Very high95Very high3 Ų332.2 Ų32.22%0.01818%0.184CC..EExtended strand (participates in β ladder)trans-120122.5173.7-175.70000108.7G236 I237 V239 L255 L409 L411G236-V257 VanDerWaalsContact CA-O 3.31Å; G236-V257 WeakPolarHBondContact CA-O 3.42Å; I237-V257 HydrophobicContact CD1-CB 4.34Å; I237-V257 HydrophobicContact CG1-CB 3.77Å; I237-V257 HydrophobicContact CG1-CG2 4.33Å; I237-V257 PolarHBondContact N-O 3.02Å; I237-V257 VanDerWaalsContact N-O 3.12Å; I237-V257 PolarHBondContact O-N 3.12Å; V239-V257 HydrophobicContact CB-CG2 4.46Å; V239-V257 HydrophobicContact CG2-CG2 3.79Å; L255-V257 HydrophobicContact CD1-CG2 3.37Å; V257-L409 HydrophobicContact CG1-CB 4.48Å; V257-L409 HydrophobicContact CG1-CD1 4.01Å; V257-L409 HydrophobicContact CG1-CD2 4.23Å; V257-L409 HydrophobicContact CG1-CG 4.5Å; V257-L411 HydrophobicContact CG1-CD1 4.45Å; V257-L411 HydrophobicContact CG2-CD1 4.03Å
258S96.6Very high95.1Very high40 Ų4032.5 Ų32.528%0.2818%0.182SC..  trans-91.3146.2-17553.20000112.7Y261 L409S258-Y261 WeakPolarHBondContact OG-CD2 3.4Å; S258-L409 WeakPolarHBondContact O-CB 3.46Å
259P97.3Very high95.2Very high20 Ų2031.9 Ų31.913%0.1318%0.177CC..THydrogen-bonded Turntrans-67155.5167.232.7-36.5000112.4V235 Y261 E406V235-P259 HydrophobicContact CG1-CG 3.91Å; P259-Y261 VanDerWaalsContact C-N 3.27Å; P259-Y261 WeakPolarHBondContact O-CD2 3.33Å; P259-E406 WeakPolarHBondContact CB-O 3.48Å; P259-E406 WeakPolarHBondContact CG-O 3.25Å
260G96.7Very high95.3Very high7 Ų733 Ų337%0.07218%0.182CC..THydrogen-bonded Turntrans80.75.1-175.600000114.2I384 A405 V408G260-I384 CarbonylContact C-O 3.53Å; G260-I384 VanDerWaalsContact C-O 3.27Å; G260-I384 WeakPolarHBondContact CA-O 3.24Å; G260-I384 PolarHBondContact O-N 2.92Å; G260-A405 VanDerWaalsContact CA-O 3.23Å; G260-A405 WeakPolarHBondContact CA-O 3.28Å; G260-A405 PolarHBondContact N-O 2.99Å; G260-V408 PolarHBondContact N-O 2.94Å
261Y97.6Very high95.3Very high101 Ų10136.8 Ų36.840%0.39620%0.199SC..EExtended strand (participates in β ladder)trans-130.6148.4178.4-65.5-91.7000112S258 P259 M381 V382 R383 A410S258-Y261 WeakPolarHBondContact OG-CD2 3.4Å; P259-Y261 VanDerWaalsContact C-N 3.27Å; P259-Y261 WeakPolarHBondContact O-CD2 3.33Å; Y261-M381 HydrophobicContact CD1-CB 4.28Å; Y261-V382 CarbonylContact C-O 3.54Å; Y261-V382 VanDerWaalsContact CA-O 3.29Å; Y261-V382 WeakPolarHBondContact CA-O 3.46Å; Y261-R383 HydrophobicContact CE1-CB 4.44Å; Y261-A410 PolarHBondContact O-N 3.1Å
262Q97.6Very high95.4Very high52 Ų5235.7 Ų35.724%0.24319%0.194CC..EExtended strand (participates in β ladder)trans-96.3114.5160.1-177.9169.62.600107.4F264 M381 V382 A410Q262-F264 HydrophobicContact CG-CE1 4.13Å; Q262-F264 HydrophobicContact CG-CE2 4.03Å; Q262-F264 HydrophobicContact CG-CZ 3.71Å; Q262-M381 WeakPolarHBondContact O-CA 3.35Å; Q262-V382 PolarHBondContact N-O 2.86Å; Q262-V382 PolarHBondContact O-N 2.9Å; Q262-A410 CarbonylContact C-O 3.58Å; Q262-A410 VanDerWaalsContact CA-O 3.28Å; Q262-A410 WeakPolarHBondContact CA-O 3.34Å; Q262-A410 HydrophobicContact CB-CB 3.94Å; Q262-A410 HydrophobicContact CG-CB 3.78Å
263T98.1Very high95.7Very high0 Ų033.5 Ų33.50%019%0.189CC..EExtended strand (participates in β ladder)trans-99.6123.1179.6-590000109.5V265 S380 M381 A410 L411 D412T263-V265 HydrophobicContact CG2-CG2 4.06Å; T263-S380 WeakPolarHBondContact CA-O 3.43Å; T263-M381 HydrophobicContact CG2-CE 3.96Å; T263-M381 HydrophobicContact CG2-CG 4.11Å; T263-A410 PolarHBondContact N-O 3.48Å; T263-L411 HydrophobicContact CG2-CD1 4.25Å; T263-L411 WeakPolarHBondContact O-CA 3.5Å; T263-D412 PolarHBondContact O-N 2.86Å
264F97.7Very high95.8Very high30 Ų3032.1 Ų32.113%0.13218%0.18CC..EExtended strand (participates in β ladder)trans-98.6123.8172.9-54.7-85.8000108.3Q262 L379 S380 V382 D412 F414Q262-F264 HydrophobicContact CG-CE1 4.13Å; Q262-F264 HydrophobicContact CG-CE2 4.03Å; Q262-F264 HydrophobicContact CG-CZ 3.71Å; F264-L379 WeakPolarHBondContact O-CA 3.5Å; F264-S380 WeakPolarHBondContact CB-OG 3.33Å; F264-S380 PolarHBondContact N-O 2.94Å; F264-S380 PolarHBondContact O-N 2.95Å; F264-V382 HydrophobicContact CE2-CB 4.24Å; F264-V382 HydrophobicContact CE2-CG2 3.88Å; F264-D412 CarbonylContact C-O 3.51Å; F264-D412 WeakPolarHBondContact CA-O 3.49Å; F264-D412 HydrophobicContact CD1-CB 3.85Å; F264-D412 HydrophobicContact CE1-CB 4.33Å; F264-F414 HydrophobicContact CB-CE1 4.08Å; F264-F414 HydrophobicContact CB-CZ 4.5Å; F264-F414 HydrophobicContact CD1-CE1 4.28Å
265V97.8Very high95.7Very high0 Ų032.7 Ų32.70%018%0.179CC..EExtended strand (participates in β ladder)trans-113.899.2176.3-170.90000107.6I241 T263 K377 E378 L411 D412 I413 F414I241-V265 HydrophobicContact CD1-CG1 3.69Å; T263-V265 HydrophobicContact CG2-CG2 4.06Å; V265-K377 HydrophobicContact CG1-CB 4.02Å; V265-E378 WeakPolarHBondContact CA-O 3.47Å; V265-L411 HydrophobicContact CG2-CD1 3.79Å; V265-D412 PolarHBondContact N-O 3.15Å; V265-I413 HydrophobicContact CB-CG1 4.07Å; V265-I413 HydrophobicContact CG2-CG1 4.3Å; V265-F414 PolarHBondContact O-N 3.34Å; V265-F414 VanDerWaalsContact O-N 3.17Å
266S96.4Very high95.6Very high17 Ų1734.7 Ų34.712%0.11919%0.193CC..EExtended strand (participates in β ladder)trans-78.3123.2172.2-1690000108.3K377 E378 E416S266-K377 CarbonylContact O-C 3.54Å; S266-K377 WeakPolarHBondContact O-CA 3.4Å; S266-E378 PolarHBondContact N-O 2.8Å; S266-E378 PolarHBondContact O-N 3.15Å; S266-E416 WeakPolarHBondContact OG-CB 3.2Å
267C96Very high95.3Very high3 Ų336.4 Ų36.42%0.0220%0.196CC..EExtended strand (participates in β ladder)trans-109.2146.6-179.3-670000111.6I241 A376 F414 F415 E416I241-C267 VanDerWaalsContact CD1-SG 3.58Å; C267-A376 VanDerWaalsContact CA-O 3.3Å; C267-A376 WeakPolarHBondContact CA-O 3.09Å; C267-F414 WeakPolarHBondContact CB-O 3.31Å; C267-F414 PolarHBondContact N-O 2.86Å; C267-F415 HydrophobicContact CB-CD1 4.08Å; C267-F415 HydrophobicContact CB-CE1 4.32Å; C267-F415 VanDerWaalsContact O-CA 3.29Å; C267-F415 WeakPolarHBondContact O-CA 3.37Å; C267-F415 WeakPolarHBondContact O-CD1 3.37Å; C267-E416 PolarHBondContact O-N 2.84Å; C267-E416 VanDerWaalsContact O-N 3.12Å
268Q94.4Very high95Very high39 Ų3939.7 Ų39.718%0.18222%0.217CC..EExtended strand (participates in β ladder)trans-131.7126.6169.5-165.9-176.714.200108.9Y375 A376 E421Q268-Y375 WeakPolarHBondContact O-CA 3.44Å; Q268-A376 HydrophobicContact CB-CB 4.36Å; Q268-A376 PolarHBondContact N-O 3.07Å; Q268-A376 PolarHBondContact O-N 3.24Å; Q268-E421 VanDerWaalsContact NE2-CG 3.34Å; Q268-E421 PolarHBondContact NE2-OE1 3.37Å; Q268-E421 PolarHBondContact OE1-OE1 3.05Å
269Q94.3Very high94.7Very high18 Ų1840 Ų408%0.08421%0.212CC..EExtended strand (participates in β ladder)trans-77.2133179.7-176.3178-9.300110.1T373 Y375 F415 Y420 E421Q269-T373 HydrophobicContact CG-CG2 3.84Å; Q269-Y375 HydrophobicContact CB-CD1 4.26Å; Q269-Y375 HydrophobicContact CB-CE1 4.09Å; Q269-Y375 HydrophobicContact CG-CD1 4.46Å; Q269-Y375 HydrophobicContact CG-CE1 3.97Å; Q269-F415 HydrophobicContact CB-CE1 4.1Å; Q269-Y420 CarbonylContact O-C 3.56Å; Q269-Y420 VanDerWaalsContact O-CA 3.32Å; Q269-Y420 WeakPolarHBondContact O-CA 3.47Å; Q269-E421 PolarHBondContact O-N 3.24Å
270Q94.7Very high94.3Very high47 Ų4739.5 Ų39.522%0.2221%0.211CC..EExtended strand (participates in β ladder)trans-123.2125.9175.9-59.9-174.5-43.700109.9T373 R374 A376 E421Q270-T373 CarbonylContact O-C 3.52Å; Q270-T373 WeakPolarHBondContact O-CA 3.32Å; Q270-R374 PolarHBondContact N-O 2.85Å; Q270-R374 PolarHBondContact O-N 3Å; Q270-A376 HydrophobicContact CG-CB 4.37Å; Q270-E421 CarbonylContact C-O 3.59Å; Q270-E421 VanDerWaalsContact CA-O 3.31Å; Q270-E421 WeakPolarHBondContact CA-O 3.31Å; Q270-E421 HydrophobicContact CG-CB 4.23Å; Q270-E421 PolarHBondContact NE2-OE2 3.23Å
271Q94.2Very high93.9Very high80 Ų8046 Ų4637%0.37424%0.244SC..EExtended strand (participates in β ladder)trans-102.1116.5172-66.7-1755.300109.1Y420 E421 T422 V423Q271-Y420 HydrophobicContact CG-CD2 4.26Å; Q271-E421 PolarHBondContact N-O 2.8Å; Q271-T422 HydrophobicContact CB-CG2 4.37Å; Q271-T422 WeakPolarHBondContact O-CA 3.38Å; Q271-V423 PolarHBondContact O-N 3.49Å
272L93.2Very high93.5Very high18 Ų1841.5 Ų41.59%0.09423%0.227CC..EExtended strand (participates in β ladder)trans-102125.1-178.4-52.1178000109.3F274 A371 S372 R374 V423L272-F274 HydrophobicContact CB-CD2 4.46Å; L272-F274 HydrophobicContact CB-CE2 3.65Å; L272-F274 HydrophobicContact CB-CZ 3.89Å; L272-F274 HydrophobicContact CD1-CE2 4.22Å; L272-F274 HydrophobicContact CD1-CZ 4.07Å; L272-F274 HydrophobicContact CG-CZ 4.5Å; L272-A371 WeakPolarHBondContact O-CA 3.26Å; L272-S372 PolarHBondContact N-O 3.03Å; L272-S372 PolarHBondContact O-N 3.43Å; L272-R374 HydrophobicContact CD1-CB 4.5Å; L272-R374 HydrophobicContact CD1-CG 3.8Å; L272-V423 WeakPolarHBondContact CA-O 3.36Å; L272-V423 HydrophobicContact CD2-CB 3.61Å; L272-V423 HydrophobicContact CD2-CG1 4.28Å; L272-V423 HydrophobicContact CD2-CG2 3.69Å
273S93.9Very high92.7Very high58 Ų5840.7 Ų40.741%0.40623%0.227SC..EExtended strand (participates in β ladder)trans-121.9118174.2-177.60000110.1C370 V423 E424 Q425S273-C370 CarbonylContact C-O 3.55Å; S273-C370 WeakPolarHBondContact CA-O 3.05Å; S273-V423 PolarHBondContact N-O 3.48Å; S273-E424 CarbonylContact O-C 3.3Å; S273-E424 WeakPolarHBondContact O-CA 3.47Å; S273-Q425 PolarHBondContact O-N 3.45Å
274F93.2Very high91.2Very high61 Ų6146 Ų4627%0.26826%0.264SS..  trans-109.8157.7-178.4-58.6-75.4000111.4L272 C282 P369 C370 Q425L272-F274 HydrophobicContact CB-CD2 4.46Å; L272-F274 HydrophobicContact CB-CE2 3.65Å; L272-F274 HydrophobicContact CB-CZ 3.89Å; L272-F274 HydrophobicContact CD1-CE2 4.22Å; L272-F274 HydrophobicContact CD1-CZ 4.07Å; L272-F274 HydrophobicContact CG-CZ 4.5Å; F274-C282 HydrophobicContact CB-CB 3.74Å; F274-C282 PolarHBondContact O-SG 3.41Å; F274-C282 VanDerWaalsContact O-SG 3.33Å; F274-P369 WeakPolarHBondContact CD2-O 3.36Å; F274-C370 PolarHBondContact N-O 3.35Å; F274-Q425 HydrophobicContact CD1-CG 4.24Å
275L92.1Very high89.3Confident27 Ų2747 Ų4714%0.14128%0.278CS..PPolyproline II helixtrans-93.2142.9177-68.8172.8000112.2H72 W279 G280 C282 Q425 K427H72-L275 HydrophobicContact CB-CD1 3.96Å; L275-W279 HydrophobicContact CB-CB 3.95Å; L275-W279 HydrophobicContact CD1-CB 3.91Å; L275-W279 HydrophobicContact CD1-CG 4.48Å; L275-G280 CarbonylContact O-C 3.49Å; L275-G280 VanDerWaalsContact O-C 3.3Å; L275-G280 VanDerWaalsContact O-CA 3.26Å; L275-G280 WeakPolarHBondContact O-CA 3.05Å; L275-C282 PolarHBondContact O-N 2.94Å; L275-C282 PolarHBondContact O-SG 2.96Å; L275-Q425 HydrophobicContact CB-CB 4.5Å; L275-Q425 HydrophobicContact CD1-CB 4.09Å; L275-Q425 HydrophobicContact CG-CB 3.87Å; L275-Q425 VanDerWaalsContact CG-O 3.29Å; L275-Q425 WeakPolarHBondContact CG-O 3.38Å; L275-Q425 VanDerWaalsContact N-OE1 3.09Å; L275-K427 HydrophobicContact CD1-CG 4Å
276P92.1Very high87.3Confident60 Ų6051 Ų5139%0.3931%0.306SS..PPolyproline II helixtrans-75.9167.3174.931.6-35.5000111.7W279 G280P276-W279 PolarHBondContact O-N 2.96Å; P276-W279 VanDerWaalsContact O-N 3.11Å; P276-G280 CarbonylContact C-O 3.51Å; P276-G280 VanDerWaalsContact C-O 3.28Å; P276-G280 PolarHBondContact O-N 3.39Å
277P90.6Very high85.1Confident83 Ų8352.7 Ų52.754%0.53931%0.314SS..THydrogen-bonded Turntrans-55.8141.2172.8-25.632.8000111.7G280 C282P277-G280 WeakPolarHBondContact CA-O 3.28Å; P277-G280 VanDerWaalsContact CD-O 3.25Å; P277-G280 WeakPolarHBondContact CD-O 3.27Å; P277-G280 VanDerWaalsContact CG-O 3.3Å; P277-G280 WeakPolarHBondContact CG-O 3.48Å; P277-C282 VanDerWaalsContact CD-O 3.3Å; P277-C282 WeakPolarHBondContact CD-O 3.24Å
278P91.8Very high82.6Confident72 Ų7257.2 Ų57.247%0.46834%0.338SS..THydrogen-bonded Turncis-87.1-0.77.534.9-39.2000116.6F70F70-P278 HydrophobicContact CD1-CB 4.25Å; F70-P278 HydrophobicContact CD1-CG 3.65Å; F70-P278 HydrophobicContact CD2-CB 3.88Å; F70-P278 HydrophobicContact CD2-CG 4.14Å; F70-P278 HydrophobicContact CE1-CB 4.37Å; F70-P278 HydrophobicContact CE1-CG 3.59Å; F70-P278 HydrophobicContact CE2-CB 4.01Å; F70-P278 HydrophobicContact CE2-CG 4.09Å; F70-P278 HydrophobicContact CG-CB 4.01Å; F70-P278 HydrophobicContact CG-CG 3.94Å; F70-P278 HydrophobicContact CZ-CB 4.25Å; F70-P278 HydrophobicContact CZ-CG 3.81Å
279W90.1Very high80.3Confident46 Ų4657.6 Ų57.617%0.17434%0.343CS..THydrogen-bonded Turntrans-83.2-25.7-176.2-67.2-86.8000113.7F70 H72 L275 P276 K427F70-W279 HydrophobicContact CB-CG 4.3Å; F70-W279 HydrophobicContact CD1-CD2 4.33Å; F70-W279 AromaticContact CD1-CE2 3.76Å; F70-W279 HydrophobicContact CD1-CZ2 4.04Å; F70-W279 AromaticContact CD1-NE1 3.69Å; F70-W279 HydrophobicContact CE1-CZ2 4.27Å; H72-W279 PolarHBondContact CE1-O 3.29Å; H72-W279 PolarHBondContact ND1-O 3.25Å; L275-W279 HydrophobicContact CB-CB 3.95Å; L275-W279 HydrophobicContact CD1-CB 3.91Å; L275-W279 HydrophobicContact CD1-CG 4.48Å; P276-W279 PolarHBondContact O-N 2.96Å; P276-W279 VanDerWaalsContact O-N 3.11Å; W279-K427 HydrophobicContact CD2-CD 4.26Å; W279-K427 HydrophobicContact CD2-CG 4.37Å; W279-K427 HydrophobicContact CG-CG 4.25Å; W279-K427 HydrophobicContact CZ2-CD 4.07Å
280G88.8Confident77.8Confident10 Ų1061.7 Ų61.710%0.10337%0.366CS..SBendtrans-155.8-169.7176.400000111.2L275 P276 P277L275-G280 CarbonylContact O-C 3.49Å; L275-G280 VanDerWaalsContact O-C 3.3Å; L275-G280 VanDerWaalsContact O-CA 3.26Å; L275-G280 WeakPolarHBondContact O-CA 3.05Å; P276-G280 CarbonylContact C-O 3.51Å; P276-G280 VanDerWaalsContact C-O 3.28Å; P276-G280 PolarHBondContact O-N 3.39Å; P277-G280 WeakPolarHBondContact CA-O 3.28Å; P277-G280 VanDerWaalsContact CD-O 3.25Å; P277-G280 WeakPolarHBondContact CD-O 3.27Å; P277-G280 VanDerWaalsContact CG-O 3.3Å; P277-G280 WeakPolarHBondContact CG-O 3.48Å
281D87.1Confident75.3Confident143 Ų14367.1 Ų67.177%0.76539%0.385SS*.  trans-114.320.7-170.9-63.7-37.5000113.5
282C89.1Confident72.5Confident7 Ų771.3 Ų71.35%0.04741%0.405CS..EExtended strand (participates in β ladder)trans-84.5153.4-178.784.10000113.1F274 L275 P277 N368 C370F274-C282 HydrophobicContact CB-CB 3.74Å; F274-C282 PolarHBondContact O-SG 3.41Å; F274-C282 VanDerWaalsContact O-SG 3.33Å; L275-C282 PolarHBondContact O-N 2.94Å; L275-C282 PolarHBondContact O-SG 2.96Å; P277-C282 VanDerWaalsContact CD-O 3.3Å; P277-C282 WeakPolarHBondContact CD-O 3.24Å; C282-N368 CarbonylContact C-O 3.6Å; C282-N368 VanDerWaalsContact CA-O 3.26Å; C282-N368 WeakPolarHBondContact CA-O 3.03Å; C282-C370 HydrophobicContact CB-CB 3.89Å; C282-C370 WeakPolarHBondContact CB-SG 3.25Å; C282-C370 WeakPolarHBondContact SG-CA 3.43Å; C282-C370 WeakPolarHBondContact SG-CB 3.27Å; C282-C370 CovalentContact SG-SG 2.04Å; C282-C370 PolarHBondContact SG-SG 3.17Å
283S81.4Confident69.8Low35 Ų3574.1 Ų74.125%0.24542%0.424CS..EExtended strand (participates in β ladder)trans-119.6135.8172.1-1770000110.8A285 N368 C370S283-A285 WeakPolarHBondContact OG-CB 3.45Å; S283-A285 PolarHBondContact OG-N 3.12Å; S283-N368 PolarHBondContact N-O 3.26Å; S283-C370 PolarHBondContact O-N 2.86Å
284S66.9Low66.8Low111 Ų11179.1 Ų79.178%0.77644%0.441SS*.  trans-96.64172.457.60000112.8S286S284-S286 PolarHBondContact O-N 3Å
285A57.4Low63.9Low52 Ų5281.3 Ų81.343%0.4346%0.462SS..  trans-68.3125.9-17800000111.3S283S283-A285 WeakPolarHBondContact OG-CB 3.45Å; S283-A285 PolarHBondContact OG-N 3.12Å
286S55.3Low61.1Low83 Ų8385.2 Ų85.258%0.5849%0.491SS*.  trans-62.3137.1163.953.80000109.5S284 N288S284-S286 PolarHBondContact O-N 3Å; S286-N288 PolarHBondContact O-N 2.9Å
287L51.4Low58.4Low54 Ų5488.5 Ų88.528%0.28351%0.505SS..SBendtrans-9.291.9178.6-103.2137000114.2P308 Y310 A318L287-P308 HydrophobicContact CD1-CG 4.42Å; L287-Y310 HydrophobicContact CG-CD2 4.46Å; L287-A318 HydrophobicContact CD2-CB 4.43Å
288N43.8Very low56.4Low98 Ų9890.6 Ų90.652%0.52452%0.519SS..  trans-14687.1162.3-114.9-24.8000115.3S286 Y291S286-N288 PolarHBondContact O-N 2.9Å; N288-Y291 WeakPolarHBondContact ND2-CB 3.29Å; N288-Y291 WeakPolarHBondContact OD1-CA 3.41Å; N288-Y291 WeakPolarHBondContact OD1-CB 3.06Å; N288-Y291 PolarHBondContact OD1-N 3.33Å
289P45.8Very low54.3Low46 Ų4695.4 Ų95.430%0.29954%0.54SS..SBendtrans-100.88.9162.914.15.4000112.7R322P289-R322 PolarHBondContact O-NH1 3.29Å
290N41.3Very low51.7Low105 Ų10595.9 Ų95.956%0.56156%0.559SS**SBendtrans172.176.1163.4-84-27.9000110.1E292 R326N290-E292 PolarHBondContact O-N 2.87Å; N290-R326 PolarHBondContact ND2-NH2 3.36Å
291Y42.2Very low49Very low160 Ų160100.6 Ų100.663%0.62759%0.59SS**  trans-88.598.6157.3-174.5-107.8000105N288 P293N288-Y291 WeakPolarHBondContact ND2-CB 3.29Å; N288-Y291 WeakPolarHBondContact OD1-CA 3.41Å; N288-Y291 WeakPolarHBondContact OD1-CB 3.06Å; N288-Y291 PolarHBondContact OD1-N 3.33Å; Y291-P293 HydrophobicContact CD1-CB 3.92Å; Y291-P293 HydrophobicContact CD1-CG 3.67Å; Y291-P293 VanDerWaalsContact CD1-N 3.25Å; Y291-P293 HydrophobicContact CE1-CB 3.34Å; Y291-P293 HydrophobicContact CE1-CG 3.5Å; Y291-P293 VanDerWaalsContact CE1-CG 3.5Å; Y291-P293 WeakPolarHBondContact O-CD 3.35Å
292E34.2Very low46.6Very low169 Ų16999.7 Ų99.779%0.7959%0.593SS**  trans-64122.6130.5-70.1-170.915500104.3N290 E294N290-E292 PolarHBondContact O-N 2.87Å; E292-E294 VanDerWaalsContact C-N 3.34Å; E292-E294 PolarHBondContact O-N 2.92Å
293P36.4Very low44Very low76 Ų76104.2 Ų104.249%0.49462%0.624SS.*  trans-52.8116.3152.1-417000103.9Y291 P295Y291-P293 HydrophobicContact CD1-CB 3.92Å; Y291-P293 HydrophobicContact CD1-CG 3.67Å; Y291-P293 VanDerWaalsContact CD1-N 3.25Å; Y291-P293 HydrophobicContact CE1-CB 3.34Å; Y291-P293 HydrophobicContact CE1-CG 3.5Å; Y291-P293 VanDerWaalsContact CE1-CG 3.5Å; Y291-P293 WeakPolarHBondContact O-CD 3.35Å; P293-P295 WeakPolarHBondContact O-CD 3.44Å
294E31.9Very low41.9Very low164 Ų164108.7 Ų108.777%0.76665%0.653SS**  trans-41.4119.4149-81.2-72.6144.600104.6E292 S296E292-E294 VanDerWaalsContact C-N 3.34Å; E292-E294 PolarHBondContact O-N 2.92Å; E294-S296 PolarHBondContact O-N 2.95Å
295P32.7Very low40.6Very low107 Ų107107.9 Ų107.970%0.69565%0.647SS**  trans-52.1117.4-179.719.9-29.5000104.7P293 D297P293-P295 WeakPolarHBondContact O-CD 3.44Å; P295-D297 PolarHBondContact O-N 3.48Å
296S33.2Very low40.1Very low109 Ų109111.2 Ų111.276%0.76266%0.664SS**  trans-54.7100.9-180490000105.8E294 P298E294-S296 PolarHBondContact O-N 2.95Å; S296-P298 WeakPolarHBondContact O-CD 3.26Å; S296-P298 VanDerWaalsContact O-N 3.13Å
297D34.5Very low40.1Very low128 Ų128111.2 Ų111.268%0.68466%0.664SS**  trans-52.8124.4170.6-120-20.3000103.9P295 L299 G300P295-D297 PolarHBondContact O-N 3.48Å; D297-L299 PolarHBondContact O-N 2.8Å; D297-G300 PolarHBondContact O-N 3.41Å; D297-G300 VanDerWaalsContact O-N 3.14Å
298P49.8Very low40.7Very low127 Ų127112.7 Ų112.783%0.82568%0.677SS**THydrogen-bonded Turntrans-63.67.9-174.715.1-21.1000113.4S296S296-P298 WeakPolarHBondContact O-CD 3.26Å; S296-P298 VanDerWaalsContact O-N 3.13Å
299L47.6Very low42.1Very low173 Ų173110.9 Ų110.991%0.90667%0.671SS**THydrogen-bonded Turntrans-140.227.4-179.3-140.372.6000114.3D297D297-L299 PolarHBondContact O-N 2.8Å
300G35Very low43.9Very low56 Ų56110.2 Ų110.258%0.57766%0.662SS**  trans-108.2117.8175.900000113.1D297D297-G300 PolarHBondContact O-N 3.41Å; D297-G300 VanDerWaalsContact O-N 3.14Å
301S31.5Very low46.1Very low109 Ų109106.1 Ų106.176%0.76264%0.641SS**PPolyproline II helixtrans-49.6146.6175.737.20000114.4S303S301-S303 PolarHBondContact O-N 2.97Å
302P38Very low48.2Very low125 Ų12599.5 Ų99.581%0.81262%0.616SS**PPolyproline II helixtrans-61.2122.9177.426.7-33.9000110.1
303S32.8Very low50.8Low102 Ų10292 Ų9271%0.71358%0.581SS**PPolyproline II helixtrans-63.6132.5169.146.50000109.5S301 S305S301-S303 PolarHBondContact O-N 2.97Å; S303-S305 PolarHBondContact O-N 2.86Å
304P39.2Very low53.3Low129 Ų12989.1 Ų89.184%0.83857%0.565SS**  trans-93.828.4-168.736.9-36.5000114.6
305S38.5Very low56Low94 Ų9481.4 Ų81.466%0.65753%0.53SS*.  trans-112.6114.5176.648.80000111.7S303 S307S303-S305 PolarHBondContact O-N 2.86Å; S305-S307 PolarHBondContact O-N 2.91Å
306P47.6Very low58.7Low122 Ų12282 Ų8279%0.79252%0.518SS*.PPolyproline II helixtrans-61.4121.1163.75.43.2000107.6
307S53.8Low61.4Low82 Ų8278.2 Ų78.257%0.57349%0.489SS*.PPolyproline II helixtrans-56.7135.3171.554.20000109.2S305S305-S307 PolarHBondContact O-N 2.91Å
308P64Low63.9Low85 Ų8573.3 Ų73.355%0.55247%0.466SS*.PPolyproline II helixtrans-58.5150.6179.124.6-33.5000110.8L287L287-P308 HydrophobicContact CD1-CG 4.42Å
309P74.3Confident65.8Low61 Ų6168.4 Ų68.440%0.39644%0.435SS..PPolyproline II helixtrans-58.6150.1177.723.7-31.8000111.3E245 T311E245-P309 HydrophobicContact CB-CG 3.87Å; E245-P309 HydrophobicContact CG-CG 3.58Å; E245-P309 WeakPolarHBondContact OE2-CG 3.45Å; P309-T311 PolarHBondContact O-N 3.24Å
310Y82.9Confident67.8Low32 Ų3260.9 Ų60.913%0.12540%0.395CS..PPolyproline II helixtrans-68.4122.6-177175.7-95.3000111L287 C315 P367 P369L287-Y310 HydrophobicContact CG-CD2 4.46Å; Y310-C315 HydrophobicContact CD2-CB 4.5Å; Y310-C315 HydrophobicContact CE2-CB 3.56Å; Y310-P367 WeakPolarHBondContact CE1-O 3.43Å; Y310-P367 WeakPolarHBondContact OH-CD 3.28Å; Y310-P367 PolarHBondContact OH-O 3.42Å; Y310-P369 HydrophobicContact CD1-CB 3.99Å; Y310-P369 HydrophobicContact CE1-CB 4.15Å
311T88Confident70.5Confident18 Ų1859.1 Ų59.111%0.1137%0.373CS..  trans-124.3152.1170.7620000110.1E245 E246 P247 P309 M313 G314 C315E245-T311 HydrophobicContact CB-CG2 4.23Å; E245-T311 WeakPolarHBondContact O-CG2 3.05Å; E246-T311 HydrophobicContact CB-CG2 4.25Å; P247-T311 WeakPolarHBondContact CD-OG1 3.45Å; P309-T311 PolarHBondContact O-N 3.24Å; T311-M313 VanDerWaalsContact C-N 3.34Å; T311-M313 PolarHBondContact O-N 2.04Å; T311-G314 PolarHBondContact O-N 2.87Å; T311-G314 PolarHBondContact OG1-N 2.05Å; T311-G314 VanDerWaalsContact OG1-N 3.14Å; T311-C315 PolarHBondContact O-N 2.6Å
312L87.1Confident73.3Confident21 Ų2157.1 Ų57.111%0.1135%0.349CS..Hα-helixtrans-61-44.7-179.4-176.265.5000111.3C315 R316 C366L312-C315 PolarHBondContact O-N 2.9Å; L312-R316 WeakPolarHBondContact O-CG 3.37Å; L312-R316 PolarHBondContact O-N 2.94Å; L312-R316 VanDerWaalsContact O-N 3.17Å; L312-C366 HydrophobicContact CD1-CB 3.96Å
313M88.8Confident75.8Confident12 Ų1254 Ų546%0.05932%0.321CS..Hα-helixtrans-68.2-37.3178-63.7-56.2102.100111.7E246 P247 I249 L253 T311 C315 R316 L317E246-M313 HydrophobicContact CG-CB 3.94Å; E246-M313 HydrophobicContact CG-CG 4.13Å; E246-M313 WeakPolarHBondContact OE1-CG 3.32Å; P247-M313 HydrophobicContact CG-CB 4.4Å; I249-M313 HydrophobicContact CD1-CB 3.73Å; I249-M313 HydrophobicContact CD1-CG 4.02Å; I249-M313 HydrophobicContact CD1-SD 3.54Å; I249-M313 VanDerWaalsContact CD1-SD 3.54Å; I249-M313 HydrophobicContact CG1-CB 4.06Å; I249-M313 HydrophobicContact CG1-CG 4.28Å; I249-M313 HydrophobicContact CG1-SD 4.17Å; L253-M313 HydrophobicContact CD1-CG 4.44Å; L253-M313 HydrophobicContact CD1-SD 3.91Å; T311-M313 VanDerWaalsContact C-N 3.34Å; T311-M313 PolarHBondContact O-N 2.04Å; M313-C315 PolarHBondContact O-N 3.17Å; M313-R316 PolarHBondContact O-N 3.27Å; M313-L317 WeakPolarHBondContact O-CB 3.25Å; M313-L317 PolarHBondContact O-N 3Å
314G89.2Confident78.7Confident15 Ų1549.2 Ų49.216%0.15529%0.288CS..Hα-helixtrans-61.5-41.7172.900000113.2T311 L317 A318T311-G314 PolarHBondContact O-N 2.87Å; T311-G314 PolarHBondContact OG1-N 2.05Å; T311-G314 VanDerWaalsContact OG1-N 3.14Å; G314-L317 PolarHBondContact O-N 3.27Å; G314-A318 VanDerWaalsContact O-CB 3.28Å; G314-A318 WeakPolarHBondContact O-CB 3.05Å; G314-A318 PolarHBondContact O-N 3.45Å
315C87.9Confident81.3Confident3 Ų344.1 Ų44.12%0.0226%0.257CS..Hα-helixtrans-60-47174.5178.90000112.1Y310 T311 L312 M313 A318 C319 C366Y310-C315 HydrophobicContact CD2-CB 4.5Å; Y310-C315 HydrophobicContact CE2-CB 3.56Å; T311-C315 PolarHBondContact O-N 2.6Å; L312-C315 PolarHBondContact O-N 2.9Å; M313-C315 PolarHBondContact O-N 3.17Å; C315-A318 PolarHBondContact O-N 3.33Å; C315-C319 WeakPolarHBondContact O-CB 3.19Å; C315-C319 PolarHBondContact O-N 2.8Å; C315-C366 HydrophobicContact CB-CB 3.79Å; C315-C366 WeakPolarHBondContact CB-SG 3.25Å; C315-C366 VanDerWaalsContact SG-CA 3.58Å; C315-C366 WeakPolarHBondContact SG-CB 3.3Å; C315-C366 CovalentContact SG-SG 2.05Å; C315-C366 PolarHBondContact SG-SG 3.2Å
316R88.6Confident83.8Confident119 Ų11948.2 Ų48.245%0.44926%0.258SS..Hα-helixtrans-62.7-47.3179.6-71.2179.7178.5-172.3-2.1111.4L312 M313 A318 C319 E320 C366L312-R316 WeakPolarHBondContact O-CG 3.37Å; L312-R316 PolarHBondContact O-N 2.94Å; L312-R316 VanDerWaalsContact O-N 3.17Å; M313-R316 PolarHBondContact O-N 3.27Å; R316-A318 PolarHBondContact O-N 3.22Å; R316-C319 PolarHBondContact O-N 2.85Å; R316-E320 WeakPolarHBondContact O-CB 2.98Å; R316-E320 PolarHBondContact O-N 2.7Å; R316-C366 HydrophobicContact CG-CB 4.38Å
317L89.4Confident85.9Confident29 Ų2947.8 Ų47.815%0.15224%0.243CC..Hα-helixtrans-61.1-43.2177.6179.960.4000111.9P247 M313 G314 E320 T321 Y334 P336P247-L317 HydrophobicContact CB-CD2 4.16Å; P247-L317 HydrophobicContact CG-CD2 4.33Å; M313-L317 WeakPolarHBondContact O-CB 3.25Å; M313-L317 PolarHBondContact O-N 3Å; G314-L317 PolarHBondContact O-N 3.27Å; L317-E320 PolarHBondContact O-N 3.02Å; L317-T321 VanDerWaalsContact O-CB 3.29Å; L317-T321 WeakPolarHBondContact O-CB 3.43Å; L317-T321 PolarHBondContact O-N 3.47Å; L317-T321 PolarHBondContact O-OG1 3.08Å; L317-Y334 HydrophobicContact CD1-CD2 3.97Å; L317-Y334 HydrophobicContact CD1-CE2 3.95Å; L317-P336 HydrophobicContact CD2-CG 4.47Å
318A88.6Confident87.9Confident25 Ų2544.8 Ų44.821%0.20722%0.222CC..Hα-helixtrans-66.8-39.2177.100000112.3L287 G314 C315 R316 R322L287-A318 HydrophobicContact CD2-CB 4.43Å; G314-A318 VanDerWaalsContact O-CB 3.28Å; G314-A318 WeakPolarHBondContact O-CB 3.05Å; G314-A318 PolarHBondContact O-N 3.45Å; C315-A318 PolarHBondContact O-N 3.33Å; R316-A318 PolarHBondContact O-N 3.22Å; A318-R322 WeakPolarHBondContact O-CB 3.38Å; A318-R322 PolarHBondContact O-N 3.35Å
319C89.4Confident89.3Confident24 Ų2443 Ų4316%0.16222%0.22CC..Hα-helixtrans-63.1-47.8175.8-172.70000111.2C315 R316 R322 Y323 C364C315-C319 WeakPolarHBondContact O-CB 3.19Å; C315-C319 PolarHBondContact O-N 2.8Å; R316-C319 PolarHBondContact O-N 2.85Å; C319-R322 PolarHBondContact O-N 3.28Å; C319-Y323 WeakPolarHBondContact O-CB 3.37Å; C319-Y323 PolarHBondContact O-N 2.04Å; C319-C364 HydrophobicContact CB-CB 3.84Å; C319-C364 WeakPolarHBondContact CB-SG 3.4Å; C319-C364 VanDerWaalsContact SG-CA 3.59Å; C319-C364 WeakPolarHBondContact SG-CB 3.1Å; C319-C364 CovalentContact SG-SG 2.04Å; C319-C364 PolarHBondContact SG-SG 3.41Å
320E90.1Very high90.3Very high16 Ų1640.2 Ų40.28%0.07520%0.201CC..Hα-helixtrans-60.5-48.8177.6-173.1-178.6163.300111.6R182 R316 L317 R322 Y323 V324 Y334 M335 I355 M358R182-E320 IonicContact CZ-OE1 3.64Å; R182-E320 IonicContact CZ-OE2 3.14Å; R182-E320 IonicContact NE-OE1 3.78Å; R182-E320 IonicContact NH2-OE1 2.77Å; R182-E320 PolarHBondContact NH2-OE1 3.14Å; R182-E320 IonicContact NH2-OE2 2.72Å; R182-E320 PolarHBondContact NH2-OE2 2.81Å; R316-E320 WeakPolarHBondContact O-CB 2.98Å; R316-E320 PolarHBondContact O-N 2.7Å; L317-E320 PolarHBondContact O-N 3.02Å; E320-R322 VanDerWaalsContact C-N 3.29Å; E320-R322 PolarHBondContact O-N 2.93Å; E320-Y323 WeakPolarHBondContact O-CB 3.43Å; E320-Y323 PolarHBondContact O-N 3.2Å; E320-Y323 VanDerWaalsContact O-N 3.12Å; E320-V324 WeakPolarHBondContact O-CG2 2.92Å; E320-V324 PolarHBondContact O-N 2.72Å; E320-Y334 PolarHBondContact OE1-OH 3.08Å; E320-M335 HydrophobicContact CG-CE 3.63Å; E320-M335 VanDerWaalsContact OE1-CE 3.26Å; E320-M335 WeakPolarHBondContact OE1-CE 3.47Å; E320-I355 HydrophobicContact CG-CG1 4.15Å; E320-I355 VanDerWaalsContact OE1-CD1 3.26Å; E320-I355 WeakPolarHBondContact OE1-CD1 3.26Å; E320-M358 HydrophobicContact CB-CE 3.92Å; E320-M358 HydrophobicContact CB-SD 4.34Å; E320-M358 HydrophobicContact CG-CE 3.76Å; E320-M358 HydrophobicContact CG-SD 4.4Å
321T91.2Very high90.9Very high19 Ų1941.1 Ų41.112%0.11720%0.204CC..Hα-helixtrans-54.6-47176.6-61.20000111.1L317 A325 M335 P336L317-T321 VanDerWaalsContact O-CB 3.29Å; L317-T321 WeakPolarHBondContact O-CB 3.43Å; L317-T321 PolarHBondContact O-N 3.47Å; L317-T321 PolarHBondContact O-OG1 3.08Å; T321-A325 WeakPolarHBondContact O-CB 3.46Å; T321-A325 PolarHBondContact O-N 3.41Å; T321-M335 HydrophobicContact CG2-CB 4.01Å; T321-M335 WeakPolarHBondContact OG1-CB 3.44Å; T321-M335 WeakPolarHBondContact OG1-CG 3.21Å; T321-P336 VanDerWaalsContact CG2-O 3.24Å; T321-P336 WeakPolarHBondContact CG2-O 3.45Å
322R89.3Confident91.1Very high67 Ų6740.5 Ų40.525%0.25320%0.201SC..Hα-helixtrans-65.9-39.8179.1-171-172.9-55.9161.4-2.9112.1P289 A318 C319 E320 R326P289-R322 PolarHBondContact O-NH1 3.29Å; A318-R322 WeakPolarHBondContact O-CB 3.38Å; A318-R322 PolarHBondContact O-N 3.35Å; C319-R322 PolarHBondContact O-N 3.28Å; E320-R322 VanDerWaalsContact C-N 3.29Å; E320-R322 PolarHBondContact O-N 2.93Å; R322-R326 HydrophobicContact CG-CG 4.44Å; R322-R326 WeakPolarHBondContact O-CB 3.19Å; R322-R326 VanDerWaalsContact O-CG 3.28Å; R322-R326 WeakPolarHBondContact O-CG 3.32Å; R322-R326 PolarHBondContact O-N 2.93Å
323Y90.8Very high91.4Very high60 Ų6040.7 Ų40.724%0.23520%0.202CC..Hα-helixtrans-63-48.3179-172.5-90.1000111C319 E320 R326 K327 A354 M358C319-Y323 WeakPolarHBondContact O-CB 3.37Å; C319-Y323 PolarHBondContact O-N 2.04Å; E320-Y323 WeakPolarHBondContact O-CB 3.43Å; E320-Y323 PolarHBondContact O-N 3.2Å; E320-Y323 VanDerWaalsContact O-N 3.12Å; Y323-R326 PolarHBondContact O-N 3.06Å; Y323-K327 HydrophobicContact CE1-CD 3.88Å; Y323-K327 WeakPolarHBondContact O-CB 3.23Å; Y323-K327 PolarHBondContact O-N 2.88Å; Y323-K327 VanDerWaalsContact O-N 3.08Å; Y323-A354 HydrophobicContact CD1-CB 4.45Å; Y323-A354 HydrophobicContact CE1-CB 4.05Å; Y323-A354 VanDerWaalsContact CE1-O 3.27Å; Y323-A354 WeakPolarHBondContact CE1-O 3.43Å; Y323-M358 HydrophobicContact CD1-CB 3.92Å; Y323-M358 HydrophobicContact CD1-CG 4.22Å; Y323-M358 HydrophobicContact CD1-SD 4.14Å; Y323-M358 HydrophobicContact CD2-CG 4.19Å; Y323-M358 HydrophobicContact CD2-SD 4.42Å; Y323-M358 HydrophobicContact CE1-CB 3.86Å; Y323-M358 HydrophobicContact CE2-CB 4.45Å; Y323-M358 HydrophobicContact CE2-CG 4.46Å; Y323-M358 HydrophobicContact CG-CB 4.27Å; Y323-M358 HydrophobicContact CG-CG 4.07Å; Y323-M358 HydrophobicContact CG-SD 3.85Å
324V93.1Very high91.6Very high0 Ų041.7 Ų41.70%021%0.206CC..Hα-helixtrans-66.5-43.8177.8179.80000110.9E320 R326 K327 C328 C330 M335 A351 I355E320-V324 WeakPolarHBondContact O-CG2 2.92Å; E320-V324 PolarHBondContact O-N 2.72Å; V324-R326 PolarHBondContact O-N 3.15Å; V324-K327 PolarHBondContact O-N 3.16Å; V324-C328 HydrophobicContact CG1-CB 4.33Å; V324-C328 WeakPolarHBondContact O-CA 3.45Å; V324-C328 WeakPolarHBondContact O-CB 3.49Å; V324-C328 PolarHBondContact O-N 2.04Å; V324-C330 CarbonylContact C-O 3.5Å; V324-M335 HydrophobicContact CB-SD 4.31Å; V324-M335 HydrophobicContact CG2-CE 4.01Å; V324-M335 HydrophobicContact CG2-SD 4.46Å; V324-A351 HydrophobicContact CG1-CB 3.93Å; V324-I355 HydrophobicContact CG2-CD1 4.06Å; V324-I355 HydrophobicContact CG2-CG1 3.59Å
325A93.7Very high91.7Very high23 Ų2341 Ų4119%0.1920%0.199CC..Hα-helixtrans-59.5-44.4177.400000112.4T321 G329 C330 V339T321-A325 WeakPolarHBondContact O-CB 3.46Å; T321-A325 PolarHBondContact O-N 3.41Å; A325-G329 VanDerWaalsContact O-CA 3.23Å; A325-G329 WeakPolarHBondContact O-CA 2.8Å; A325-G329 PolarHBondContact O-N 3.14Å; A325-C330 WeakPolarHBondContact CA-O 3.4Å; A325-C330 PolarHBondContact N-O 3.39Å; A325-V339 HydrophobicContact CB-CG1 4.45Å; A325-V339 HydrophobicContact CB-CG2 4.28Å
326R91.7Very high91.7Very high180 Ų18044.3 Ų44.368%0.67922%0.22SC*.Hα-helixtrans-67.5-37178.4-74.8178.1178.1-173.1-2.9113N290 R322 Y323 V324N290-R326 PolarHBondContact ND2-NH2 3.36Å; R322-R326 HydrophobicContact CG-CG 4.44Å; R322-R326 WeakPolarHBondContact O-CB 3.19Å; R322-R326 VanDerWaalsContact O-CG 3.28Å; R322-R326 WeakPolarHBondContact O-CG 3.32Å; R322-R326 PolarHBondContact O-N 2.93Å; Y323-R326 PolarHBondContact O-N 3.06Å; V324-R326 PolarHBondContact O-N 3.15Å
327K92.5Very high91.6Very high113 Ų11340.7 Ų40.749%0.49122%0.219SC..Hα-helixtrans-88.3-35.9-173.6-167.2171.9179.5-1750113.5Y323 V324 A354Y323-K327 HydrophobicContact CE1-CD 3.88Å; Y323-K327 WeakPolarHBondContact O-CB 3.23Å; Y323-K327 PolarHBondContact O-N 2.88Å; Y323-K327 VanDerWaalsContact O-N 3.08Å; V324-K327 PolarHBondContact O-N 3.16Å; K327-A354 HydrophobicContact CD-CB 3.87Å
328C94.9Very high91.5Very high18 Ų1847.5 Ų47.512%0.12226%0.256CS..Hα-helixtrans-113.2-9.7-173-57.20000113.7V324 C330 C350V324-C328 HydrophobicContact CG1-CB 4.33Å; V324-C328 WeakPolarHBondContact O-CA 3.45Å; V324-C328 WeakPolarHBondContact O-CB 3.49Å; V324-C328 PolarHBondContact O-N 2.04Å; C328-C330 PolarHBondContact O-N 3.02Å; C328-C350 VanDerWaalsContact CA-SG 3.5Å; C328-C350 HydrophobicContact CB-CB 3.96Å; C328-C350 WeakPolarHBondContact CB-SG 3.18Å; C328-C350 WeakPolarHBondContact SG-CB 3.48Å; C328-C350 CovalentContact SG-SG 2.04Å; C328-C350 PolarHBondContact SG-SG 3.44Å
329G94.8Very high91.6Very high49 Ų4949 Ų4951%0.50526%0.262SS..SBendtrans67.514.8-178.200000114.1A325A325-G329 VanDerWaalsContact O-CA 3.23Å; A325-G329 WeakPolarHBondContact O-CA 2.8Å; A325-G329 PolarHBondContact O-N 3.14Å
330C95.1Very high91.9Very high2 Ų252.1 Ų52.11%0.01428%0.283CS..  trans-145.6169.8-177670000110.2V324 A325 C328 P340 C342V324-C330 CarbonylContact C-O 3.5Å; A325-C330 WeakPolarHBondContact CA-O 3.4Å; A325-C330 PolarHBondContact N-O 3.39Å; C328-C330 PolarHBondContact O-N 3.02Å; C330-P340 CarbonylContact C-O 3.29Å; C330-P340 VanDerWaalsContact CA-O 3.27Å; C330-P340 WeakPolarHBondContact CA-O 3.06Å; C330-P340 WeakPolarHBondContact CB-O 3.39Å; C330-C342 VanDerWaalsContact C-SG 3.53Å; C330-C342 HydrophobicContact CB-CB 3.84Å; C330-C342 WeakPolarHBondContact CB-SG 3.4Å; C330-C342 VanDerWaalsContact SG-CA 3.5Å; C330-C342 WeakPolarHBondContact SG-CB 3.21Å; C330-C342 CovalentContact SG-SG 2.03Å; C330-C342 PolarHBondContact SG-SG 3.47Å
331R94.3Very high92.1Very high50 Ų5053 Ų5319%0.18929%0.289CS..BIsolated β-bridgetrans-126.3159.1173.569175.8177.977.20.8112.1M335 G337 V339 P340 V341 C342R331-M335 HydrophobicContact CB-CB 4.04Å; R331-M335 HydrophobicContact CB-SD 4.36Å; R331-M335 WeakPolarHBondContact CD-O 3.5Å; R331-M335 PolarHBondContact NH1-O 3.1Å; R331-G337 PolarHBondContact NE-O 3.36Å; R331-G337 PolarHBondContact NH2-O 3.46Å; R331-V339 WeakPolarHBondContact CD-O 3.5Å; R331-V339 WeakPolarHBondContact CG-O 3.37Å; R331-V339 PolarHBondContact NE-O 3.22Å; R331-P340 PolarHBondContact N-O 3.27Å; R331-V341 CarbonylContact O-C 3.28Å; R331-V341 VanDerWaalsContact O-CA 3.31Å; R331-V341 WeakPolarHBondContact O-CA 3.42Å; R331-C342 VanDerWaalsContact C-SG 3.6Å; R331-C342 PolarHBondContact O-N 2.82Å; R331-C342 PolarHBondContact O-SG 2.85Å; R331-C342 VanDerWaalsContact O-SG 3.37Å
332M92.8Very high92.2Very high6 Ų652.2 Ų52.23%0.0328%0.284CS..  trans-74.9163.8169.7-65.3-170.8167.200111.2Y334 M335 Y347 A351 I355M332-Y334 VanDerWaalsContact C-N 3.31Å; M332-Y334 HydrophobicContact CB-CD1 3.9Å; M332-Y334 HydrophobicContact CB-CE1 3.53Å; M332-Y334 HydrophobicContact CG-CE1 4.13Å; M332-Y334 PolarHBondContact O-N 3.48Å; M332-Y334 HydrophobicContact SD-CE1 3.45Å; M332-Y334 WeakPolarHBondContact SD-CE1 3.33Å; M332-Y334 PolarHBondContact SD-OH 3.14Å; M332-Y334 VanDerWaalsContact SD-OH 3.38Å; M332-M335 HydrophobicContact CB-CE 4.08Å; M332-M335 HydrophobicContact CB-CG 4.02Å; M332-M335 HydrophobicContact CB-SD 3.87Å; M332-M335 HydrophobicContact CG-CE 3.97Å; M332-M335 HydrophobicContact CG-SD 4.13Å; M332-M335 PolarHBondContact N-SD 3.11Å; M332-M335 WeakPolarHBondContact O-CB 3.49Å; M332-M335 PolarHBondContact O-N 2.89Å; M332-M335 VanDerWaalsContact O-N 3.1Å; M332-M335 HydrophobicContact SD-CE 4.03Å; M332-Y347 HydrophobicContact CE-CD2 4.01Å; M332-Y347 HydrophobicContact CE-CE2 3.62Å; M332-Y347 HydrophobicContact CG-CD2 4.47Å; M332-Y347 HydrophobicContact CG-CE2 4.29Å; M332-Y347 HydrophobicContact SD-CE2 3.98Å; M332-A351 HydrophobicContact CE-CB 3.68Å; M332-I355 HydrophobicContact CE-CD1 3.24Å; M332-I355 HydrophobicContact SD-CD1 3.55Å; M332-I355 VanDerWaalsContact SD-CD1 3.55Å
333V93.1Very high92.4Very high24 Ų2451.3 Ų51.315%0.14529%0.288CS..THydrogen-bonded Turntrans-59.5-40.1-174.9178.10000112.4M146 A147 Y150 F180 M335 V341M146-V333 HydrophobicContact CB-CG2 4.08Å; A147-V333 HydrophobicContact CB-CG1 4.42Å; Y150-V333 HydrophobicContact CD2-CB 4.46Å; Y150-V333 HydrophobicContact CD2-CG2 3.95Å; Y150-V333 HydrophobicContact CE2-CG2 4.32Å; F180-V333 HydrophobicContact CB-CG1 4Å; F180-V333 HydrophobicContact CD1-CG1 3.92Å; F180-V333 HydrophobicContact CD2-CG1 4.35Å; F180-V333 HydrophobicContact CG-CG1 3.82Å; V333-M335 VanDerWaalsContact C-N 3.33Å; V333-V341 HydrophobicContact CG2-CG1 3.71Å
334Y92.7Very high92.4Very high33 Ų3348.8 Ų48.813%0.12928%0.279CS..THydrogen-bonded Turntrans-79.7-12.3179.866.4-93.5000114.3F180 R182 L317 E320 M332F180-Y334 WeakPolarHBondContact O-CB 3.29Å; R182-Y334 HydrophobicContact CB-CE1 4.42Å; R182-Y334 HydrophobicContact CG-CD1 3.91Å; R182-Y334 HydrophobicContact CG-CD2 4.32Å; R182-Y334 HydrophobicContact CG-CE1 3.42Å; R182-Y334 VanDerWaalsContact CG-CE1 3.42Å; R182-Y334 HydrophobicContact CG-CE2 3.88Å; R182-Y334 HydrophobicContact CG-CG 4.33Å; R182-Y334 VanDerWaalsContact CG-CZ 3.4Å; R182-Y334 PolarHBondContact NE-OH 3.31Å; L317-Y334 HydrophobicContact CD1-CD2 3.97Å; L317-Y334 HydrophobicContact CD1-CE2 3.95Å; E320-Y334 PolarHBondContact OE1-OH 3.08Å; M332-Y334 VanDerWaalsContact C-N 3.31Å; M332-Y334 HydrophobicContact CB-CD1 3.9Å; M332-Y334 HydrophobicContact CB-CE1 3.53Å; M332-Y334 HydrophobicContact CG-CE1 4.13Å; M332-Y334 PolarHBondContact O-N 3.48Å; M332-Y334 HydrophobicContact SD-CE1 3.45Å; M332-Y334 WeakPolarHBondContact SD-CE1 3.33Å; M332-Y334 PolarHBondContact SD-OH 3.14Å; M332-Y334 VanDerWaalsContact SD-OH 3.38Å
335M92.4Very high92.2Very high2 Ų253.6 Ų53.61%0.0130%0.301CS..SBendtrans-79.2134-178.4-71.1177.2-179.700109.7E320 T321 V324 R331 M332 V333 I355E320-M335 HydrophobicContact CG-CE 3.63Å; E320-M335 VanDerWaalsContact OE1-CE 3.26Å; E320-M335 WeakPolarHBondContact OE1-CE 3.47Å; T321-M335 HydrophobicContact CG2-CB 4.01Å; T321-M335 WeakPolarHBondContact OG1-CB 3.44Å; T321-M335 WeakPolarHBondContact OG1-CG 3.21Å; V324-M335 HydrophobicContact CB-SD 4.31Å; V324-M335 HydrophobicContact CG2-CE 4.01Å; V324-M335 HydrophobicContact CG2-SD 4.46Å; R331-M335 HydrophobicContact CB-CB 4.04Å; R331-M335 HydrophobicContact CB-SD 4.36Å; R331-M335 WeakPolarHBondContact CD-O 3.5Å; R331-M335 PolarHBondContact NH1-O 3.1Å; M332-M335 HydrophobicContact CB-CE 4.08Å; M332-M335 HydrophobicContact CB-CG 4.02Å; M332-M335 HydrophobicContact CB-SD 3.87Å; M332-M335 HydrophobicContact CG-CE 3.97Å; M332-M335 HydrophobicContact CG-SD 4.13Å; M332-M335 PolarHBondContact N-SD 3.11Å; M332-M335 WeakPolarHBondContact O-CB 3.49Å; M332-M335 PolarHBondContact O-N 2.89Å; M332-M335 VanDerWaalsContact O-N 3.1Å; M332-M335 HydrophobicContact SD-CE 4.03Å; V333-M335 VanDerWaalsContact C-N 3.33Å; M335-I355 HydrophobicContact CE-CD1 3.92Å
336P88.3Confident92.2Very high71 Ų7156 Ų5646%0.46131%0.309SS..  trans-70.3166.3176.429.5-35.4000112.4L317 T321L317-P336 HydrophobicContact CD2-CG 4.47Å; T321-P336 VanDerWaalsContact CG2-O 3.24Å; T321-P336 WeakPolarHBondContact CG2-O 3.45Å
337G85.6Confident92.1Very high43 Ų4349 Ų4944%0.44328%0.282SS..SBendtrans109.4170.8172.100000115.4R331R331-G337 PolarHBondContact NE-O 3.36Å; R331-G337 PolarHBondContact NH2-O 3.46Å
338D87.4Confident92Very high173 Ų17347.6 Ų47.693%0.92528%0.277SS*.SBendtrans-91.2-6.5-169.7-55.6-48.8000114.1
339V91.7Very high91.8Very high55 Ų5551.9 Ų51.933%0.33330%0.298SS..SBendtrans-61.2140.9174.9-179.90000109.2A325 R331A325-V339 HydrophobicContact CB-CG1 4.45Å; A325-V339 HydrophobicContact CB-CG2 4.28Å; R331-V339 WeakPolarHBondContact CD-O 3.5Å; R331-V339 WeakPolarHBondContact CG-O 3.37Å; R331-V339 PolarHBondContact NE-O 3.22Å
340P94Very high91.8Very high91 Ų9151.3 Ų51.359%0.59129%0.286SS*.PPolyproline II helixtrans-62.4152-179.925.4-36.1000112.7C330 R331C330-P340 CarbonylContact C-O 3.29Å; C330-P340 VanDerWaalsContact CA-O 3.27Å; C330-P340 WeakPolarHBondContact CA-O 3.06Å; C330-P340 WeakPolarHBondContact CB-O 3.39Å; R331-P340 PolarHBondContact N-O 3.27Å
341V94.2Very high91.7Very high35 Ų3551.2 Ų51.221%0.21229%0.285CS..BIsolated β-bridgetrans-69.4137.8176.4179.50000109.8M146 A147 R331 V333 S343M146-V341 HydrophobicContact CB-CG1 3.93Å; A147-V341 HydrophobicContact CB-CG2 4.34Å; R331-V341 CarbonylContact O-C 3.28Å; R331-V341 VanDerWaalsContact O-CA 3.31Å; R331-V341 WeakPolarHBondContact O-CA 3.42Å; V333-V341 HydrophobicContact CG2-CG1 3.71Å; V341-S343 PolarHBondContact O-N 2.98Å
342C94.6Very high91.5Very high2 Ų251.5 Ų51.51%0.01429%0.289CS..PPolyproline II helixtrans-60.1135.5179-62.70000111.6M146 C330 R331 Q346M146-C342 WeakPolarHBondContact CG-O 3.36Å; C330-C342 VanDerWaalsContact C-SG 3.53Å; C330-C342 HydrophobicContact CB-CB 3.84Å; C330-C342 WeakPolarHBondContact CB-SG 3.4Å; C330-C342 VanDerWaalsContact SG-CA 3.5Å; C330-C342 WeakPolarHBondContact SG-CB 3.21Å; C330-C342 CovalentContact SG-SG 2.03Å; C330-C342 PolarHBondContact SG-SG 3.47Å; R331-C342 VanDerWaalsContact C-SG 3.6Å; R331-C342 PolarHBondContact O-N 2.82Å; R331-C342 PolarHBondContact O-SG 2.85Å; R331-C342 VanDerWaalsContact O-SG 3.37Å; C342-Q346 HydrophobicContact CB-CB 4.03Å
343S93.1Very high91.5Very high47 Ų4753.9 Ų53.933%0.32931%0.305SS..PPolyproline II helixtrans-63.5158.616663.40000110.8V341 Q345 Q346 Y347V341-S343 PolarHBondContact O-N 2.98Å; S343-Q345 PolarHBondContact O-N 3.32Å; S343-Q345 VanDerWaalsContact O-N 3.14Å; S343-Q346 PolarHBondContact O-N 3.14Å; S343-Q346 WeakPolarHBondContact OG-CG 3.09Å; S343-Q346 PolarHBondContact OG-N 3.46Å; S343-Q346 PolarHBondContact OG-OE1 3.2Å; S343-Y347 PolarHBondContact O-N 3.44Å
344P91Very high91.4Very high7 Ų752.8 Ų52.85%0.04530%0.298CS..Hα-helixtrans-53.4-35.8176.7-29.736.3000114.4W109 A110 A113 F144 M146 Y347 K348W109-P344 HydrophobicContact CB-CG 4.29Å; W109-P344 WeakPolarHBondContact O-CB 3.42Å; W109-P344 WeakPolarHBondContact O-CG 3.02Å; A110-P344 HydrophobicContact CB-CG 4.27Å; A113-P344 HydrophobicContact CB-CB 3.88Å; A113-P344 VanDerWaalsContact CB-O 3.28Å; A113-P344 WeakPolarHBondContact CB-O 3.07Å; F144-P344 HydrophobicContact CD1-CG 3.85Å; F144-P344 HydrophobicContact CE1-CG 3.34Å; F144-P344 HydrophobicContact CZ-CG 4.24Å; M146-P344 HydrophobicContact CG-CG 4.17Å; M146-P344 HydrophobicContact SD-CG 3.85Å; P344-Y347 WeakPolarHBondContact O-CB 3.4Å; P344-Y347 PolarHBondContact O-N 3.25Å; P344-K348 PolarHBondContact O-N 2.99Å; P344-K348 VanDerWaalsContact O-N 3.12Å
345Q88.8Confident91.4Very high101 Ų10151.6 Ų51.647%0.47229%0.294SS..Hα-helixtrans-70.2-41.6177.3-63.4-60.2-25.400111.7S343 Y347 N349S343-Q345 PolarHBondContact O-N 3.32Å; S343-Q345 VanDerWaalsContact O-N 3.14Å; Q345-Y347 VanDerWaalsContact C-N 3.31Å; Q345-N349 WeakPolarHBondContact O-CB 3.34Å; Q345-N349 VanDerWaalsContact O-CG 3.29Å; Q345-N349 PolarHBondContact O-N 3.13Å; Q345-N349 PolarHBondContact O-ND2 3.36Å; Q345-N349 PolarHBondContact OE1-ND2 3.44Å
346Q93.1Very high91.2Very high75 Ų7554.1 Ų54.135%0.3531%0.308SS..Hα-helixtrans-65.9-35.5173.2-73.3166.3-49.300111.9C342 S343 C350 A351C342-Q346 HydrophobicContact CB-CB 4.03Å; S343-Q346 PolarHBondContact O-N 3.14Å; S343-Q346 WeakPolarHBondContact OG-CG 3.09Å; S343-Q346 PolarHBondContact OG-N 3.46Å; S343-Q346 PolarHBondContact OG-OE1 3.2Å; Q346-C350 CarbonylContact O-C 3.52Å; Q346-C350 WeakPolarHBondContact O-CA 3.33Å; Q346-C350 WeakPolarHBondContact O-CB 3.07Å; Q346-C350 PolarHBondContact O-N 3.09Å; Q346-A351 PolarHBondContact O-N 3.41Å
347Y91Very high91.2Very high31 Ų3151.8 Ų51.812%0.12229%0.294CS..Iπ-helixtrans-57.6-55.5176.2-173.8-84.9000110.8L114 M332 S343 P344 Q345 A351 H352L114-Y347 HydrophobicContact CD2-CE1 4.18Å; M332-Y347 HydrophobicContact CE-CD2 4.01Å; M332-Y347 HydrophobicContact CE-CE2 3.62Å; M332-Y347 HydrophobicContact CG-CD2 4.47Å; M332-Y347 HydrophobicContact CG-CE2 4.29Å; M332-Y347 HydrophobicContact SD-CE2 3.98Å; S343-Y347 PolarHBondContact O-N 3.44Å; P344-Y347 WeakPolarHBondContact O-CB 3.4Å; P344-Y347 PolarHBondContact O-N 3.25Å; Q345-Y347 VanDerWaalsContact C-N 3.31Å; Y347-A351 PolarHBondContact O-N 2.84Å; Y347-H352 WeakPolarHBondContact O-CB 3.26Å; Y347-H352 PolarHBondContact O-N 2.91Å
348K88.8Confident91.3Very high85 Ų8550.2 Ų50.237%0.3728%0.276SS..Iπ-helixtrans-70-46-178.5-173.6177.3-174.4159.60113.2S112 A113 P344 P353S112-K348 PolarHBondContact O-NZ 2.81Å; S112-K348 PolarHBondContact OG-NZ 3.17Å; A113-K348 HydrophobicContact CB-CB 4.13Å; P344-K348 PolarHBondContact O-N 2.99Å; P344-K348 VanDerWaalsContact O-N 3.12Å; K348-P353 VanDerWaalsContact O-CD 3.3Å; K348-P353 WeakPolarHBondContact O-CD 3.46Å; K348-P353 WeakPolarHBondContact O-CG 3.35Å
349N91.8Very high91.3Very high107 Ų10746.6 Ų46.657%0.57226%0.256SS*.Iπ-helixtrans-89.6-18.9-168.3-58.5-27.9000113.5Q345Q345-N349 WeakPolarHBondContact O-CB 3.34Å; Q345-N349 VanDerWaalsContact O-CG 3.29Å; Q345-N349 PolarHBondContact O-N 3.13Å; Q345-N349 PolarHBondContact O-ND2 3.36Å; Q345-N349 PolarHBondContact OE1-ND2 3.44Å
350C93.9Very high91Very high37 Ų3753.4 Ų53.425%0.2528%0.275CS..Iπ-helixtrans-128.5-60.2-176.9-168.40000113C328 Q346 A354C328-C350 VanDerWaalsContact CA-SG 3.5Å; C328-C350 HydrophobicContact CB-CB 3.96Å; C328-C350 WeakPolarHBondContact CB-SG 3.18Å; C328-C350 WeakPolarHBondContact SG-CB 3.48Å; C328-C350 CovalentContact SG-SG 2.04Å; C328-C350 PolarHBondContact SG-SG 3.44Å; Q346-C350 CarbonylContact O-C 3.52Å; Q346-C350 WeakPolarHBondContact O-CA 3.33Å; Q346-C350 WeakPolarHBondContact O-CB 3.07Å; Q346-C350 PolarHBondContact O-N 3.09Å; C350-A354 WeakPolarHBondContact O-CB 3.02Å; C350-A354 PolarHBondContact O-N 3.48Å
351A93.6Very high90.4Very high0 Ų056.6 Ų56.60%028%0.28CS..Iπ-helixtrans-65.2-49.8-166.600000112.6V324 M332 Q346 Y347 A354 I355V324-A351 HydrophobicContact CG1-CB 3.93Å; M332-A351 HydrophobicContact CE-CB 3.68Å; Q346-A351 PolarHBondContact O-N 3.41Å; Y347-A351 PolarHBondContact O-N 2.84Å; A351-A354 WeakPolarHBondContact O-CB 3.3Å; A351-A354 PolarHBondContact O-N 3.42Å; A351-I355 WeakPolarHBondContact O-CG1 3.45Å; A351-I355 PolarHBondContact O-N 2.82Å
352H90Very high89.6Confident56 Ų5661.3 Ų61.326%0.25930%0.304SS..Hα-helixtrans-63.1-52.8179.5-174.8105.3000111.7E230 Y347 A354 I355 D356E230-H352 IonicContact OE1-CE1 3.89Å; E230-H352 PolarHBondContact OE1-CE1 3.48Å; E230-H352 IonicContact OE1-ND1 2.7Å; E230-H352 PolarHBondContact OE1-ND1 3.39Å; E230-H352 VanDerWaalsContact OE1-ND1 3.1Å; Y347-H352 WeakPolarHBondContact O-CB 3.26Å; Y347-H352 PolarHBondContact O-N 2.91Å; H352-A354 PolarHBondContact O-N 3.45Å; H352-A354 VanDerWaalsContact O-N 3.16Å; H352-I355 PolarHBondContact O-N 3.2Å; H352-I355 VanDerWaalsContact O-N 3.15Å; H352-D356 IonicContact CD2-OD2 3.28Å; H352-D356 PolarHBondContact CD2-OD2 3.2Å; H352-D356 IonicContact NE2-OD2 3.83Å; H352-D356 PolarHBondContact O-N 2.58Å; H352-D356 VanDerWaalsContact O-N 3.1Å
353P91.8Very high88.7Confident57 Ų5764.3 Ų64.337%0.3733%0.325SS..Hα-helixtrans-59.9-29.5173.9-23.932.9000114.5K348 A357K348-P353 VanDerWaalsContact O-CD 3.3Å; K348-P353 WeakPolarHBondContact O-CD 3.46Å; K348-P353 WeakPolarHBondContact O-CG 3.35Å; P353-A357 VanDerWaalsContact O-CB 3.25Å; P353-A357 WeakPolarHBondContact O-CB 3.46Å; P353-A357 PolarHBondContact O-N 2.91Å
354A92.6Very high88.2Confident0 Ų063.2 Ų63.20%032%0.317CS..Hα-helixtrans-68.4-44.317700000111.8Y323 K327 C350 A351 H352 A357 M358Y323-A354 HydrophobicContact CD1-CB 4.45Å; Y323-A354 HydrophobicContact CE1-CB 4.05Å; Y323-A354 VanDerWaalsContact CE1-O 3.27Å; Y323-A354 WeakPolarHBondContact CE1-O 3.43Å; K327-A354 HydrophobicContact CD-CB 3.87Å; C350-A354 WeakPolarHBondContact O-CB 3.02Å; C350-A354 PolarHBondContact O-N 3.48Å; A351-A354 WeakPolarHBondContact O-CB 3.3Å; A351-A354 PolarHBondContact O-N 3.42Å; H352-A354 PolarHBondContact O-N 3.45Å; H352-A354 VanDerWaalsContact O-N 3.16Å; A354-A357 PolarHBondContact O-N 2.99Å; A354-M358 WeakPolarHBondContact O-CB 3.49Å; A354-M358 PolarHBondContact O-N 3.27Å
355I91.2Very high87.9Confident9 Ų967.5 Ų67.55%0.04635%0.353CS..Hα-helixtrans-63-45.9176.2-66.9162.5000109.8E320 V324 M332 M335 A351 H352 A357 M358 L359E320-I355 HydrophobicContact CG-CG1 4.15Å; E320-I355 VanDerWaalsContact OE1-CD1 3.26Å; E320-I355 WeakPolarHBondContact OE1-CD1 3.26Å; V324-I355 HydrophobicContact CG2-CD1 4.06Å; V324-I355 HydrophobicContact CG2-CG1 3.59Å; M332-I355 HydrophobicContact CE-CD1 3.24Å; M332-I355 HydrophobicContact SD-CD1 3.55Å; M332-I355 VanDerWaalsContact SD-CD1 3.55Å; M335-I355 HydrophobicContact CE-CD1 3.92Å; A351-I355 WeakPolarHBondContact O-CG1 3.45Å; A351-I355 PolarHBondContact O-N 2.82Å; H352-I355 PolarHBondContact O-N 3.2Å; H352-I355 VanDerWaalsContact O-N 3.15Å; I355-A357 VanDerWaalsContact C-N 3.28Å; I355-A357 PolarHBondContact O-N 3.29Å; I355-M358 WeakPolarHBondContact O-CB 3.43Å; I355-M358 PolarHBondContact O-N 3.21Å; I355-L359 HydrophobicContact CG2-CD1 3.93Å; I355-L359 HydrophobicContact CG2-CG 4.33Å; I355-L359 WeakPolarHBondContact O-CG 3.5Å; I355-L359 PolarHBondContact O-N 3.42Å
356D88.8Confident87.8Confident55 Ų5563.8 Ų63.829%0.29434%0.338SS..Hα-helixtrans-62.8-36.5178.4-61-24.9000112.7H352 R360H352-D356 IonicContact CD2-OD2 3.28Å; H352-D356 PolarHBondContact CD2-OD2 3.2Å; H352-D356 IonicContact NE2-OD2 3.83Å; H352-D356 PolarHBondContact O-N 2.58Å; H352-D356 VanDerWaalsContact O-N 3.1Å; D356-R360 WeakPolarHBondContact O-CB 3.49Å; D356-R360 WeakPolarHBondContact O-CG 3.29Å; D356-R360 PolarHBondContact O-N 3.26Å; D356-R360 VanDerWaalsContact O-N 3.14Å; D356-R360 PolarHBondContact O-NE 3.16Å; D356-R360 VanDerWaalsContact O-NE 3.08Å
357A88.9Confident87.6Confident22 Ų2263 Ų6318%0.18234%0.339CS..Hα-helixtrans-69.6-35.2175.400000112P353 A354 I355 K361P353-A357 VanDerWaalsContact O-CB 3.25Å; P353-A357 WeakPolarHBondContact O-CB 3.46Å; P353-A357 PolarHBondContact O-N 2.91Å; A354-A357 PolarHBondContact O-N 2.99Å; I355-A357 VanDerWaalsContact C-N 3.28Å; I355-A357 PolarHBondContact O-N 3.29Å; A357-K361 WeakPolarHBondContact O-CB 3.28Å; A357-K361 WeakPolarHBondContact O-CG 3.35Å; A357-K361 PolarHBondContact O-N 3.38Å
358M88.1Confident87.5Confident10 Ų1065.5 Ų65.55%0.04936%0.355CS..Hα-helixtrans-67.2-48176.2-177.8-165.772.200111E320 Y323 A354 I355 R360 K361 D362 S363 C364E320-M358 HydrophobicContact CB-CE 3.92Å; E320-M358 HydrophobicContact CB-SD 4.34Å; E320-M358 HydrophobicContact CG-CE 3.76Å; E320-M358 HydrophobicContact CG-SD 4.4Å; Y323-M358 HydrophobicContact CD1-CB 3.92Å; Y323-M358 HydrophobicContact CD1-CG 4.22Å; Y323-M358 HydrophobicContact CD1-SD 4.14Å; Y323-M358 HydrophobicContact CD2-CG 4.19Å; Y323-M358 HydrophobicContact CD2-SD 4.42Å; Y323-M358 HydrophobicContact CE1-CB 3.86Å; Y323-M358 HydrophobicContact CE2-CB 4.45Å; Y323-M358 HydrophobicContact CE2-CG 4.46Å; Y323-M358 HydrophobicContact CG-CB 4.27Å; Y323-M358 HydrophobicContact CG-CG 4.07Å; Y323-M358 HydrophobicContact CG-SD 3.85Å; A354-M358 WeakPolarHBondContact O-CB 3.49Å; A354-M358 PolarHBondContact O-N 3.27Å; I355-M358 WeakPolarHBondContact O-CB 3.43Å; I355-M358 PolarHBondContact O-N 3.21Å; M358-R360 VanDerWaalsContact C-N 3.33Å; M358-R360 PolarHBondContact O-N 2.99Å; M358-K361 PolarHBondContact O-N 3.45Å; M358-D362 PolarHBondContact O-N 2.89Å; M358-D362 VanDerWaalsContact O-N 3.09Å; M358-S363 PolarHBondContact O-N 2.99Å; M358-C364 VanDerWaalsContact SD-SG 3.62Å
359L85.6Confident87.6Confident97 Ų9762.2 Ų62.251%0.50834%0.342SS..Hα-helixtrans-60.9-41.6178.6-69.8172.2000111.4I355 K361 D362I355-L359 HydrophobicContact CG2-CD1 3.93Å; I355-L359 HydrophobicContact CG2-CG 4.33Å; I355-L359 WeakPolarHBondContact O-CG 3.5Å; I355-L359 PolarHBondContact O-N 3.42Å; L359-K361 VanDerWaalsContact C-N 3.32Å; L359-K361 PolarHBondContact O-N 3.49Å; L359-D362 PolarHBondContact O-N 3.48Å
360R85.3Confident87.5Confident197 Ų19758.2 Ų58.274%0.74332%0.322SS*.Hα-helixtrans-67-28.5176.9-77.8-177.8-76.8-175.4-8.9114.4D356 M358D356-R360 WeakPolarHBondContact O-CB 3.49Å; D356-R360 WeakPolarHBondContact O-CG 3.29Å; D356-R360 PolarHBondContact O-N 3.26Å; D356-R360 VanDerWaalsContact O-N 3.14Å; D356-R360 PolarHBondContact O-NE 3.16Å; D356-R360 VanDerWaalsContact O-NE 3.08Å; M358-R360 VanDerWaalsContact C-N 3.33Å; M358-R360 PolarHBondContact O-N 2.99Å
361K83.1Confident87.4Confident158 Ų15860.2 Ų60.269%0.68734%0.341SS*.THydrogen-bonded Turntrans-94.8-0.2180-73.1-175.3176.4-173.60113.4A357 M358 L359 S363A357-K361 WeakPolarHBondContact O-CB 3.28Å; A357-K361 WeakPolarHBondContact O-CG 3.35Å; A357-K361 PolarHBondContact O-N 3.38Å; M358-K361 PolarHBondContact O-N 3.45Å; L359-K361 VanDerWaalsContact C-N 3.32Å; L359-K361 PolarHBondContact O-N 3.49Å; K361-S363 WeakPolarHBondContact CB-OG 3.34Å; K361-S363 PolarHBondContact O-N 2.89Å; K361-S363 VanDerWaalsContact O-N 3.14Å
362D75.9Confident87.2Confident134 Ų13461.5 Ų61.572%0.71735%0.351SS*.THydrogen-bonded Turntrans39.649.7-172.7-159.215.6000113M358 L359 C364M358-D362 PolarHBondContact O-N 2.89Å; M358-D362 VanDerWaalsContact O-N 3.09Å; L359-D362 PolarHBondContact O-N 3.48Å; D362-C364 PolarHBondContact O-N 3.35Å; D362-C364 VanDerWaalsContact O-N 3.14Å
363S76.3Confident87.4Confident65 Ų6560.8 Ų60.846%0.45535%0.35SS..  trans-75.30.4-170.6-57.80000114.1M358 K361M358-S363 PolarHBondContact O-N 2.99Å; K361-S363 WeakPolarHBondContact CB-OG 3.34Å; K361-S363 PolarHBondContact O-N 2.89Å; K361-S363 VanDerWaalsContact O-N 3.14Å
364C82.9Confident87.4Confident24 Ų2464.6 Ų64.616%0.16236%0.357CS..  trans-115.191.1-174.8-70.60000111.3C319 M358 D362 C366C319-C364 HydrophobicContact CB-CB 3.84Å; C319-C364 WeakPolarHBondContact CB-SG 3.4Å; C319-C364 VanDerWaalsContact SG-CA 3.59Å; C319-C364 WeakPolarHBondContact SG-CB 3.1Å; C319-C364 CovalentContact SG-SG 2.04Å; C319-C364 PolarHBondContact SG-SG 3.41Å; M358-C364 VanDerWaalsContact SD-SG 3.62Å; D362-C364 PolarHBondContact O-N 3.35Å; D362-C364 VanDerWaalsContact O-N 3.14Å; C364-C366 PolarHBondContact O-N 2.88Å
365A85.5Confident87.5Confident97 Ų9765.7 Ų65.780%0.80236%0.362SS*.  trans-77.3101171.100000110.4
366C86.4Confident87.7Confident24 Ų2466.8 Ų66.816%0.16237%0.372CS..  trans-111108.5174.6-74.20000109.9L312 C315 R316 C364L312-C366 HydrophobicContact CD1-CB 3.96Å; C315-C366 HydrophobicContact CB-CB 3.79Å; C315-C366 WeakPolarHBondContact CB-SG 3.25Å; C315-C366 VanDerWaalsContact SG-CA 3.58Å; C315-C366 WeakPolarHBondContact SG-CB 3.3Å; C315-C366 CovalentContact SG-SG 2.05Å; C315-C366 PolarHBondContact SG-SG 3.2Å; R316-C366 HydrophobicContact CG-CB 4.38Å; C364-C366 PolarHBondContact O-N 2.88Å
367P87.5Confident88Confident58 Ų5868.8 Ų68.838%0.37738%0.378SS..PPolyproline II helixtrans-67.7153177.828.2-34.5000111.3Y310Y310-P367 WeakPolarHBondContact CE1-O 3.43Å; Y310-P367 WeakPolarHBondContact OH-CD 3.28Å; Y310-P367 PolarHBondContact OH-O 3.42Å
368N89.1Confident88.3Confident84 Ų8474.2 Ų74.245%0.44940%0.399SS..EExtended strand (participates in β ladder)trans-70.6139.1175.9-70.2-33.8000110.3C282 S283C282-N368 CarbonylContact C-O 3.6Å; C282-N368 VanDerWaalsContact CA-O 3.26Å; C282-N368 WeakPolarHBondContact CA-O 3.03Å; S283-N368 PolarHBondContact N-O 3.26Å
369P90.4Very high88.7Confident15 Ų1577.5 Ų77.510%0.09742%0.417CS..EExtended strand (participates in β ladder)trans-66.1144.4173.829.1-35.3000110.5F274 Y310 A371F274-P369 WeakPolarHBondContact CD2-O 3.36Å; Y310-P369 HydrophobicContact CD1-CB 3.99Å; Y310-P369 HydrophobicContact CE1-CB 4.15Å; P369-A371 VanDerWaalsContact C-N 3.28Å; P369-A371 PolarHBondContact O-N 3.12Å
370C90.6Very high89.2Confident23 Ų2376 Ų7616%0.15542%0.415CS..SBendtrans-70.2-24.6176.4-62.70000113.6S273 F274 C282 S283S273-C370 CarbonylContact C-O 3.55Å; S273-C370 WeakPolarHBondContact CA-O 3.05Å; F274-C370 PolarHBondContact N-O 3.35Å; C282-C370 HydrophobicContact CB-CB 3.89Å; C282-C370 WeakPolarHBondContact CB-SG 3.25Å; C282-C370 WeakPolarHBondContact SG-CA 3.43Å; C282-C370 WeakPolarHBondContact SG-CB 3.27Å; C282-C370 CovalentContact SG-SG 2.04Å; C282-C370 PolarHBondContact SG-SG 3.17Å; S283-C370 PolarHBondContact O-N 2.86Å
371A90.9Very high89.8Confident79 Ų7971 Ų7165%0.65340%0.4SS*.EExtended strand (participates in β ladder)trans-127.6130.2173.700000109L272 P369L272-A371 WeakPolarHBondContact O-CA 3.26Å; P369-A371 VanDerWaalsContact C-N 3.28Å; P369-A371 PolarHBondContact O-N 3.12Å
372S90.9Very high90.5Very high28 Ų2867.5 Ų67.520%0.19639%0.392CS..EExtended strand (participates in β ladder)trans-149.4148.7173.559.40000111.4L272L272-S372 PolarHBondContact N-O 3.03Å; L272-S372 PolarHBondContact O-N 3.43Å
373T92.4Very high91.4Very high41 Ų4170.3 Ų70.325%0.25239%0.393SS..EExtended strand (participates in β ladder)trans-104.3130.6172.4-600000108.9Q269 Q270 Y375Q269-T373 HydrophobicContact CG-CG2 3.84Å; Q270-T373 CarbonylContact O-C 3.52Å; Q270-T373 WeakPolarHBondContact O-CA 3.32Å; T373-Y375 HydrophobicContact CG2-CE2 4.22Å
374R93.2Very high92.3Very high136 Ų13668.6 Ų68.651%0.51338%0.379SS..EExtended strand (participates in β ladder)trans-123160.8173.4-66-163.1-178.7170.7-4110.4Q270 L272Q270-R374 PolarHBondContact N-O 2.85Å; Q270-R374 PolarHBondContact O-N 3Å; L272-R374 HydrophobicContact CD1-CB 4.5Å; L272-R374 HydrophobicContact CD1-CG 3.8Å
375Y95Very high92.9Very high24 Ų2468.4 Ų68.49%0.09438%0.377CS..EExtended strand (participates in β ladder)trans-120.8108.3175.7-61.1-82.2000108.4P87 I241 Q268 Q269 T373 F415P87-Y375 HydrophobicContact CB-CD1 4.25Å; P87-Y375 HydrophobicContact CB-CD2 4.06Å; P87-Y375 HydrophobicContact CB-CE1 3.92Å; P87-Y375 HydrophobicContact CB-CE2 3.72Å; P87-Y375 HydrophobicContact CB-CG 4.31Å; P87-Y375 HydrophobicContact CG-CD1 4.46Å; P87-Y375 HydrophobicContact CG-CE1 4.33Å; I241-Y375 HydrophobicContact CG2-CD2 4.2Å; I241-Y375 HydrophobicContact CG2-CG 4.08Å; Q268-Y375 WeakPolarHBondContact O-CA 3.44Å; Q269-Y375 HydrophobicContact CB-CD1 4.26Å; Q269-Y375 HydrophobicContact CB-CE1 4.09Å; Q269-Y375 HydrophobicContact CG-CD1 4.46Å; Q269-Y375 HydrophobicContact CG-CE1 3.97Å; T373-Y375 HydrophobicContact CG2-CE2 4.22Å; Y375-F415 HydrophobicContact CD1-CE1 4.1Å; Y375-F415 HydrophobicContact CD1-CZ 4.45Å; Y375-F415 HydrophobicContact CE1-CE1 4.08Å; Y375-F415 HydrophobicContact CE1-CZ 4.04Å
376A94.4Very high93.4Very high31 Ų3166.9 Ų66.926%0.25636%0.36SS..EExtended strand (participates in β ladder)trans-68.3143167.200000108.3C267 Q268 Q270C267-A376 VanDerWaalsContact CA-O 3.3Å; C267-A376 WeakPolarHBondContact CA-O 3.09Å; Q268-A376 HydrophobicContact CB-CB 4.36Å; Q268-A376 PolarHBondContact N-O 3.07Å; Q268-A376 PolarHBondContact O-N 3.24Å; Q270-A376 HydrophobicContact CG-CB 4.37Å
377K94.7Very high93.7Very high98 Ų9877.7 Ų77.743%0.42640%0.398SS..EExtended strand (participates in β ladder)trans-136.6130.9-172.558.9-177.6179.7-69.50111.4L255 V265 S266 L379L255-K377 HydrophobicContact CD2-CD 3.81Å; V265-K377 HydrophobicContact CG1-CB 4.02Å; S266-K377 CarbonylContact O-C 3.54Å; S266-K377 WeakPolarHBondContact O-CA 3.4Å; K377-L379 HydrophobicContact CD-CD1 4.45Å; K377-L379 HydrophobicContact CG-CD1 4.26Å
378E96.1Very high94Very high135 Ų13579.3 Ų79.363%0.63142%0.416SS*.EExtended strand (participates in β ladder)trans-115132.8170.4-59.2-164.9158.200109.5V265 S266V265-E378 WeakPolarHBondContact CA-O 3.47Å; S266-E378 PolarHBondContact N-O 2.8Å; S266-E378 PolarHBondContact O-N 3.15Å
379L95.8Very high94.2Very high80 Ų8076.8 Ų76.842%0.41941%0.407SS..EExtended strand (participates in β ladder)trans-110.8132.8-174.6-69.584.9000110.3L255 F264 K377 M381L255-L379 HydrophobicContact CB-CD2 4.48Å; L255-L379 HydrophobicContact CD1-CD2 4.04Å; F264-L379 WeakPolarHBondContact O-CA 3.5Å; K377-L379 HydrophobicContact CD-CD1 4.45Å; K377-L379 HydrophobicContact CG-CD1 4.26Å; L379-M381 HydrophobicContact CD2-CE 4.46Å
380S97Very high94.4Very high66 Ų6676.7 Ų76.746%0.46241%0.407SS..EExtended strand (participates in β ladder)trans-135.1153.9166.164.90000110.5T263 F264T263-S380 WeakPolarHBondContact CA-O 3.43Å; F264-S380 WeakPolarHBondContact CB-OG 3.33Å; F264-S380 PolarHBondContact N-O 2.94Å; F264-S380 PolarHBondContact O-N 2.95Å
381M97.1Very high94.5Very high90 Ų9083.8 Ų83.844%0.44343%0.431SS..EExtended strand (participates in β ladder)trans-138.8140.5-172.3-59.6-177.6-178.500111.6Y261 Q262 T263 L379Y261-M381 HydrophobicContact CD1-CB 4.28Å; Q262-M381 WeakPolarHBondContact O-CA 3.35Å; T263-M381 HydrophobicContact CG2-CE 3.96Å; T263-M381 HydrophobicContact CG2-CG 4.11Å; L379-M381 HydrophobicContact CD2-CE 4.46Å
382V97.3Very high94.7Very high86 Ų8686.7 Ų86.752%0.52143%0.429SS..EExtended strand (participates in β ladder)trans-128.5146.7173.3178.40000109.1Y261 Q262 F264Y261-V382 CarbonylContact C-O 3.54Å; Y261-V382 VanDerWaalsContact CA-O 3.29Å; Y261-V382 WeakPolarHBondContact CA-O 3.46Å; Q262-V382 PolarHBondContact N-O 2.86Å; Q262-V382 PolarHBondContact O-N 2.9Å; F264-V382 HydrophobicContact CE2-CB 4.24Å; F264-V382 HydrophobicContact CE2-CG2 3.88Å
383R96.8Very high94.8Very high192 Ų19286.5 Ų86.573%0.72543%0.425SS*.EExtended strand (participates in β ladder)trans-71.6134-179.9-173.6176.6-179159.94.4111.8Y261Y261-R383 HydrophobicContact CE1-CB 4.44Å
384I94.9Very high94.9Very high30 Ų3085.1 Ų85.115%0.15442%0.418CS..SBendtrans-129.6140.6172.7-166.7176.6000109.7G260 A410G260-I384 CarbonylContact C-O 3.53Å; G260-I384 VanDerWaalsContact C-O 3.27Å; G260-I384 WeakPolarHBondContact CA-O 3.24Å; G260-I384 PolarHBondContact O-N 2.92Å; I384-A410 HydrophobicContact CD1-CB 4.23Å
385P95.4Very high95Very high19 Ų1988.6 Ų88.612%0.12343%0.431CS..SBendcis-82160.2-6.934.9-35.7000113.2A389 A390 L393 I404P385-A389 HydrophobicContact CB-CB 4.4Å; P385-A390 HydrophobicContact CB-CB 4.41Å; P385-A390 HydrophobicContact CG-CB 3.92Å; P385-L393 HydrophobicContact CB-CD1 3.69Å; P385-I404 HydrophobicContact CG-CG2 3.98Å
386S94.9Very high94.9Very high65 Ų6593.7 Ų93.746%0.45545%0.454SS..  trans-67.3157.2165.477.10000110.4A388 A389 A390S386-A388 PolarHBondContact O-N 3.32Å; S386-A388 VanDerWaalsContact O-N 3.11Å; S386-A389 PolarHBondContact O-N 2.9Å; S386-A389 WeakPolarHBondContact OG-CB 3.41Å; S386-A389 PolarHBondContact OG-N 2.77Å; S386-A390 PolarHBondContact O-N 3.45Å
387R93.3Very high94.8Very high251 Ų25194.2 Ų94.295%0.94745%0.452SS*.Hα-helixtrans-55.1-32.4176.9-72-176.1174.8177.5-1.2113
388A93.8Very high94.8Very high92 Ų9296.5 Ų96.576%0.7647%0.469SS*.Hα-helixtrans-74.5-36.5177.900000112.5S386S386-A388 PolarHBondContact O-N 3.32Å; S386-A388 VanDerWaalsContact O-N 3.11Å
389A93.8Very high94.8Very high32 Ų3295.1 Ų95.126%0.26446%0.458SS..Hα-helixtrans-86.3-20-177.300000113.8P385 S386 R391 F392 L393P385-A389 HydrophobicContact CB-CB 4.4Å; S386-A389 PolarHBondContact O-N 2.9Å; S386-A389 WeakPolarHBondContact OG-CB 3.41Å; S386-A389 PolarHBondContact OG-N 2.77Å; A389-R391 PolarHBondContact O-N 2.86Å; A389-F392 WeakPolarHBondContact O-CB 3.24Å; A389-F392 PolarHBondContact O-N 3.28Å; A389-F392 VanDerWaalsContact O-N 3.08Å; A389-L393 HydrophobicContact CB-CD1 4.4Å; A389-L393 PolarHBondContact O-N 2.92Å
390A93.8Very high94.8Very high12 Ų1294.7 Ų94.710%0.09946%0.462CS..Hα-helixtrans-53.3-50.8-175.300000113P385 S386 F392 L393 A394 E401P385-A390 HydrophobicContact CB-CB 4.41Å; P385-A390 HydrophobicContact CG-CB 3.92Å; S386-A390 PolarHBondContact O-N 3.45Å; A390-F392 VanDerWaalsContact C-N 3.32Å; A390-F392 PolarHBondContact O-N 3.45Å; A390-L393 PolarHBondContact O-N 3.27Å; A390-A394 VanDerWaalsContact O-CB 3.28Å; A390-A394 WeakPolarHBondContact O-CB 3.3Å; A390-A394 PolarHBondContact O-N 2.69Å; A390-E401 HydrophobicContact CB-CG 4.46Å
391R93.8Very high94.6Very high173 Ų17396.1 Ų96.165%0.65346%0.462SS*.Hα-helixtrans-63.3-36.5177.8-76177.2-176.6173.62.9113.3A389 R395 E401A389-R391 PolarHBondContact O-N 2.86Å; R391-R395 WeakPolarHBondContact O-CG 3.48Å; R391-R395 PolarHBondContact O-N 3.47Å; R391-E401 WeakPolarHBondContact CG-OE1 3.44Å; R391-E401 IonicContact NE-OE1 3.75Å
392F93.8Very high94.5Very high140 Ų14094.5 Ų94.561%0.61446%0.462SS*.Hα-helixtrans-68.2-48.1179.9174.9-97.7000110.6A389 A390 R395 K396A389-F392 WeakPolarHBondContact O-CB 3.24Å; A389-F392 PolarHBondContact O-N 3.28Å; A389-F392 VanDerWaalsContact O-N 3.08Å; A390-F392 VanDerWaalsContact C-N 3.32Å; A390-F392 PolarHBondContact O-N 3.45Å; F392-R395 PolarHBondContact O-N 3.13Å; F392-K396 HydrophobicContact CE1-CD 4.32Å; F392-K396 WeakPolarHBondContact O-CB 2.88Å; F392-K396 PolarHBondContact O-N 3.27Å
393L93.8Very high94.4Very high23 Ų2391.5 Ų91.512%0.1244%0.442CS..Hα-helixtrans-65.6-39.5177.7-73.2165.9000111.9P385 A389 A390 R395 K396 L397 I404P385-L393 HydrophobicContact CB-CD1 3.69Å; A389-L393 HydrophobicContact CB-CD1 4.4Å; A389-L393 PolarHBondContact O-N 2.92Å; A390-L393 PolarHBondContact O-N 3.27Å; L393-R395 VanDerWaalsContact C-N 3.3Å; L393-R395 PolarHBondContact O-N 3.38Å; L393-K396 PolarHBondContact O-N 2.96Å; L393-L397 WeakPolarHBondContact O-CB 3.36Å; L393-L397 PolarHBondContact O-N 3.03Å; L393-I404 HydrophobicContact CB-CD1 3.86Å
394A94.4Very high94.4Very high13 Ų1382.5 Ų82.511%0.10741%0.408CS..Hα-helixtrans-54.7-45.9174.100000112A390 N398 R399 E401 I404A390-A394 VanDerWaalsContact O-CB 3.28Å; A390-A394 WeakPolarHBondContact O-CB 3.3Å; A390-A394 PolarHBondContact O-N 2.69Å; A394-N398 WeakPolarHBondContact O-CA 3.3Å; A394-N398 PolarHBondContact O-N 3.43Å; A394-R399 CarbonylContact C-O 3.59Å; A394-R399 VanDerWaalsContact CA-O 3.3Å; A394-R399 WeakPolarHBondContact CA-O 3.31Å; A394-R399 VanDerWaalsContact CB-O 3.29Å; A394-R399 WeakPolarHBondContact CB-O 3.38Å; A394-R399 PolarHBondContact O-N 3.1Å; A394-R399 VanDerWaalsContact O-O 3.12Å; A394-E401 HydrophobicContact CB-CG 3.99Å; A394-I404 HydrophobicContact CB-CD1 3.99Å
395R94.8Very high94.3Very high208 Ų20882.9 Ų82.979%0.78542%0.416SS*.Hα-helixtrans-70.2-41.2176.4-70.1175.7-177.5179.5-0.2112.7R391 F392 L393 N398R391-R395 WeakPolarHBondContact O-CG 3.48Å; R391-R395 PolarHBondContact O-N 3.47Å; F392-R395 PolarHBondContact O-N 3.13Å; L393-R395 VanDerWaalsContact C-N 3.3Å; L393-R395 PolarHBondContact O-N 3.38Å; R395-N398 PolarHBondContact O-N 2.67Å
396K93.9Very high94.3Very high131 Ų13187.2 Ų87.257%0.5743%0.434SS*.Hα-helixtrans-63.4-43-179.2-173.2-175.7177.1-167.90111.8F392 L393F392-K396 HydrophobicContact CE1-CD 4.32Å; F392-K396 WeakPolarHBondContact O-CB 2.88Å; F392-K396 PolarHBondContact O-N 3.27Å; L393-K396 PolarHBondContact O-N 2.96Å
397L92.2Very high94.4Very high42 Ų4284.3 Ų84.322%0.2241%0.414CS..Hα-helixtrans-91.3-3.7-178-62.8172.8000113.1L162 L393 R399 I404 V408L162-L397 HydrophobicContact CD1-CD1 3.85Å; L162-L397 HydrophobicContact CD1-CD2 4.02Å; L162-L397 HydrophobicContact CD2-CD2 4.06Å; L162-L397 HydrophobicContact CG-CD2 4.45Å; L393-L397 WeakPolarHBondContact O-CB 3.36Å; L393-L397 PolarHBondContact O-N 3.03Å; L397-R399 VanDerWaalsContact C-N 3.28Å; L397-R399 PolarHBondContact O-N 3.18Å; L397-I404 HydrophobicContact CD1-CD1 4.23Å; L397-I404 HydrophobicContact CD1-CG1 4.34Å; L397-V408 HydrophobicContact CD1-CG2 4.24Å
398N95.3Very high94.6Very high147 Ų14772.6 Ų72.679%0.78637%0.37SS*.THydrogen-bonded Turntrans53.142.8-174.7-165.835.7000113A394 R395A394-N398 WeakPolarHBondContact O-CA 3.3Å; A394-N398 PolarHBondContact O-N 3.43Å; R395-N398 PolarHBondContact O-N 2.67Å
399R94.7Very high94.8Very high105 Ų10568.2 Ų68.240%0.39633%0.334SS..SBendtrans-131164.1-179.4-66.5-63-172149.18.7110.8E219 A394 L397 Y403 I404E219-R399 IonicContact OE1-CZ 3.8Å; E219-R399 IonicContact OE1-NH1 3.47Å; E219-R399 PolarHBondContact OE1-NH1 3.33Å; E219-R399 IonicContact OE1-NH2 3.28Å; E219-R399 PolarHBondContact OE1-NH2 2.96Å; E219-R399 IonicContact OE2-NH1 3.87Å; E219-R399 PolarHBondContact OE2-NH1 3.41Å; A394-R399 CarbonylContact C-O 3.59Å; A394-R399 VanDerWaalsContact CA-O 3.3Å; A394-R399 WeakPolarHBondContact CA-O 3.31Å; A394-R399 VanDerWaalsContact CB-O 3.29Å; A394-R399 WeakPolarHBondContact CB-O 3.38Å; A394-R399 PolarHBondContact O-N 3.1Å; A394-R399 VanDerWaalsContact O-O 3.12Å; L397-R399 VanDerWaalsContact C-N 3.28Å; L397-R399 PolarHBondContact O-N 3.18Å; R399-Y403 HydrophobicContact CB-CD1 3.71Å; R399-Y403 HydrophobicContact CB-CE1 4.37Å; R399-Y403 HydrophobicContact CB-CG 4.16Å; R399-Y403 HydrophobicContact CG-CD1 3.73Å; R399-Y403 HydrophobicContact CG-CE1 3.87Å; R399-Y403 HydrophobicContact CG-CG 4.4Å; R399-I404 HydrophobicContact CB-CG1 4.45Å
400S95.9Very high95Very high71 Ų7167 Ų6750%0.49732%0.324SS..  trans-72.7156.5178.372.30000111.7A402 Y403 I404S400-A402 PolarHBondContact O-N 3.27Å; S400-Y403 WeakPolarHBondContact O-CB 3.32Å; S400-Y403 PolarHBondContact O-N 3.17Å; S400-Y403 VanDerWaalsContact OG-CB 3.29Å; S400-Y403 WeakPolarHBondContact OG-CB 3.44Å; S400-Y403 PolarHBondContact OG-N 2.93Å; S400-Y403 VanDerWaalsContact OG-N 3.09Å; S400-I404 PolarHBondContact O-N 2.87Å; S400-I404 VanDerWaalsContact O-N 3.15Å
401E93.9Very high95.2Very high97 Ų9766.4 Ų66.445%0.45332%0.319SS..Hα-helixtrans-60.1-37.2176.3-65.7-179.2-162.200111.9A390 R391 A394 I404 A405A390-E401 HydrophobicContact CB-CG 4.46Å; R391-E401 WeakPolarHBondContact CG-OE1 3.44Å; R391-E401 IonicContact NE-OE1 3.75Å; A394-E401 HydrophobicContact CB-CG 3.99Å; E401-I404 PolarHBondContact O-N 2.93Å; E401-A405 PolarHBondContact O-N 3.29Å
402A94Very high95.3Very high55 Ų5558.6 Ų58.646%0.45529%0.29SS..Hα-helixtrans-64.8-44.2175.300000111.6S400 I404 A405 E406S400-A402 PolarHBondContact O-N 3.27Å; A402-I404 VanDerWaalsContact C-N 3.29Å; A402-I404 PolarHBondContact O-N 3.19Å; A402-A405 PolarHBondContact O-N 3.44Å; A402-E406 WeakPolarHBondContact O-CG 3.48Å; A402-E406 PolarHBondContact O-N 3.35Å
403Y95.7Very high95.5Very high24 Ų2452 Ų529%0.09426%0.261CS..Hα-helixtrans-57.6-43.6177.7-174.9-86.3000111.5D215 E219 R399 S400 E406 N407D215-Y403 WeakPolarHBondContact OD2-CE1 3.42Å; D215-Y403 PolarHBondContact OD2-OH 2.94Å; E219-Y403 HydrophobicContact CG-CE2 4.45Å; E219-Y403 PolarHBondContact OE1-OH 3.38Å; E219-Y403 WeakPolarHBondContact OE2-CE2 3.44Å; R399-Y403 HydrophobicContact CB-CD1 3.71Å; R399-Y403 HydrophobicContact CB-CE1 4.37Å; R399-Y403 HydrophobicContact CB-CG 4.16Å; R399-Y403 HydrophobicContact CG-CD1 3.73Å; R399-Y403 HydrophobicContact CG-CE1 3.87Å; R399-Y403 HydrophobicContact CG-CG 4.4Å; S400-Y403 WeakPolarHBondContact O-CB 3.32Å; S400-Y403 PolarHBondContact O-N 3.17Å; S400-Y403 VanDerWaalsContact OG-CB 3.29Å; S400-Y403 WeakPolarHBondContact OG-CB 3.44Å; S400-Y403 PolarHBondContact OG-N 2.93Å; S400-Y403 VanDerWaalsContact OG-N 3.09Å; Y403-E406 PolarHBondContact O-N 3.49Å; Y403-N407 HydrophobicContact CD1-CB 4.14Å; Y403-N407 WeakPolarHBondContact CD2-ND2 3.08Å; Y403-N407 HydrophobicContact CE1-CB 3.88Å; Y403-N407 VanDerWaalsContact O-CB 3.24Å; Y403-N407 WeakPolarHBondContact O-CB 3.48Å; Y403-N407 PolarHBondContact O-N 2.89Å; Y403-N407 PolarHBondContact O-ND2 3.31Å
404I95.5Very high95.7Very high2 Ų251.9 Ų51.91%0.0126%0.26CS..Hα-helixtrans-64.9-44.4179.8-67.7173000111P385 L393 A394 L397 R399 S400 E401 A402 E406 V408P385-I404 HydrophobicContact CG-CG2 3.98Å; L393-I404 HydrophobicContact CB-CD1 3.86Å; A394-I404 HydrophobicContact CB-CD1 3.99Å; L397-I404 HydrophobicContact CD1-CD1 4.23Å; L397-I404 HydrophobicContact CD1-CG1 4.34Å; R399-I404 HydrophobicContact CB-CG1 4.45Å; S400-I404 PolarHBondContact O-N 2.87Å; S400-I404 VanDerWaalsContact O-N 3.15Å; E401-I404 PolarHBondContact O-N 2.93Å; A402-I404 VanDerWaalsContact C-N 3.29Å; A402-I404 PolarHBondContact O-N 3.19Å; I404-E406 PolarHBondContact O-N 2.9Å; I404-V408 HydrophobicContact CB-CG2 4.32Å; I404-V408 HydrophobicContact CG1-CG2 4.33Å; I404-V408 HydrophobicContact CG2-CB 4.05Å; I404-V408 HydrophobicContact CG2-CG2 4.02Å; I404-V408 WeakPolarHBondContact O-CB 3.36Å; I404-V408 PolarHBondContact O-N 3.24Å
405A94.3Very high95.8Very high39 Ų3951.4 Ų51.432%0.32226%0.255SS..Hα-helixtrans-63.4-30.6179.200000112.8G260 E401 A402G260-A405 VanDerWaalsContact CA-O 3.23Å; G260-A405 WeakPolarHBondContact CA-O 3.28Å; G260-A405 PolarHBondContact N-O 2.99Å; E401-A405 PolarHBondContact O-N 3.29Å; A402-A405 PolarHBondContact O-N 3.44Å
406E95.6Very high95.7Very high110 Ų11047 Ų4751%0.51424%0.243SC..Hα-helixtrans-93.6-25.1-177.5-69.9172.7-172.600113.2Q218 P259 A402 Y403 I404Q218-E406 PolarHBondContact NE2-O 3.21Å; P259-E406 WeakPolarHBondContact CB-O 3.48Å; P259-E406 WeakPolarHBondContact CG-O 3.25Å; A402-E406 WeakPolarHBondContact O-CG 3.48Å; A402-E406 PolarHBondContact O-N 3.35Å; Y403-E406 PolarHBondContact O-N 3.49Å; I404-E406 PolarHBondContact O-N 2.9Å
407N96.9Very high95.4Very high4 Ų442.6 Ų42.62%0.02123%0.231CC..Hα-helixtrans-116.6-25.6-171.3-64.6-85.2000114.9D215 V216 Q218 Y403D215-N407 WeakPolarHBondContact OD1-CB 3.43Å; V216-N407 HydrophobicContact CG2-CB 4.25Å; V216-N407 WeakPolarHBondContact CG2-O 3.24Å; V216-N407 PolarHBondContact N-O 3.23Å; Q218-N407 WeakPolarHBondContact CB-OD1 3.25Å; Q218-N407 VanDerWaalsContact CG-OD1 3.26Å; Q218-N407 WeakPolarHBondContact CG-OD1 3.21Å; Q218-N407 PolarHBondContact N-OD1 3.48Å; Y403-N407 HydrophobicContact CD1-CB 4.14Å; Y403-N407 WeakPolarHBondContact CD2-ND2 3.08Å; Y403-N407 HydrophobicContact CE1-CB 3.88Å; Y403-N407 VanDerWaalsContact O-CB 3.24Å; Y403-N407 WeakPolarHBondContact O-CB 3.48Å; Y403-N407 PolarHBondContact O-N 2.89Å; Y403-N407 PolarHBondContact O-ND2 3.31Å
408V97.2Very high95.3Very high5 Ų542.1 Ų42.13%0.0323%0.229CC..EExtended strand (participates in β ladder)trans-91.8128.6-174.9178.70000110.2L162 M213 L214 G260 L397 I404L162-V408 HydrophobicContact CD1-CG1 4.22Å; L162-V408 HydrophobicContact CD1-CG2 3.95Å; M213-V408 HydrophobicContact CG-CG1 3.7Å; M213-V408 HydrophobicContact SD-CG1 3.96Å; L214-V408 WeakPolarHBondContact O-CA 3.47Å; G260-V408 PolarHBondContact N-O 2.94Å; L397-V408 HydrophobicContact CD1-CG2 4.24Å; I404-V408 HydrophobicContact CB-CG2 4.32Å; I404-V408 HydrophobicContact CG1-CG2 4.33Å; I404-V408 HydrophobicContact CG2-CB 4.05Å; I404-V408 HydrophobicContact CG2-CG2 4.02Å; I404-V408 WeakPolarHBondContact O-CB 3.36Å; I404-V408 PolarHBondContact O-N 3.24Å
409L97.6Very high95Very high0 Ų036.2 Ų36.20%020%0.198CC..EExtended strand (participates in β ladder)trans-121.3155.5167.459.591.3000110.6M213 L214 V216 I237 V257 S258 L411M213-L409 CarbonylContact C-O 3.57Å; M213-L409 WeakPolarHBondContact CA-O 3.41Å; L214-L409 HydrophobicContact CB-CD1 3.83Å; L214-L409 HydrophobicContact CB-CG 4.11Å; L214-L409 HydrophobicContact CD1-CD1 4.08Å; L214-L409 HydrophobicContact CG-CD1 4.35Å; L214-L409 PolarHBondContact N-O 2.8Å; L214-L409 PolarHBondContact O-N 2.94Å; V216-L409 HydrophobicContact CG1-CD2 3.52Å; V216-L409 HydrophobicContact CG1-CG 4.41Å; I237-L409 HydrophobicContact CD1-CD1 3.81Å; I237-L409 HydrophobicContact CD1-CD2 4.13Å; I237-L409 HydrophobicContact CG1-CD1 4.43Å; I237-L409 HydrophobicContact CG1-CD2 3.89Å; I237-L409 HydrophobicContact CG2-CD2 4.26Å; V257-L409 HydrophobicContact CG1-CB 4.48Å; V257-L409 HydrophobicContact CG1-CD1 4.01Å; V257-L409 HydrophobicContact CG1-CD2 4.23Å; V257-L409 HydrophobicContact CG1-CG 4.5Å; S258-L409 WeakPolarHBondContact O-CB 3.46Å; L409-L411 HydrophobicContact CD1-CB 4.48Å
410A97.4Very high94.9Very high6 Ų633.4 Ų33.45%0.0519%0.187CC..EExtended strand (participates in β ladder)trans-121142.1167.800000109.5I212 Y261 Q262 T263 I384I212-A410 CarbonylContact O-C 3.57Å; I212-A410 WeakPolarHBondContact O-CA 3.44Å; Y261-A410 PolarHBondContact O-N 3.1Å; Q262-A410 CarbonylContact C-O 3.58Å; Q262-A410 VanDerWaalsContact CA-O 3.28Å; Q262-A410 WeakPolarHBondContact CA-O 3.34Å; Q262-A410 HydrophobicContact CB-CB 3.94Å; Q262-A410 HydrophobicContact CG-CB 3.78Å; T263-A410 PolarHBondContact N-O 3.48Å; I384-A410 HydrophobicContact CD1-CB 4.23Å
411L97.8Very high94.8Very high0 Ų032.3 Ų32.30%017%0.174CC..EExtended strand (participates in β ladder)trans-134.8121.4-177.6177.967.3000109.1D211 I212 V239 V257 T263 V265 L409 I413D211-L411 WeakPolarHBondContact CA-O 3.32Å; I212-L411 HydrophobicContact CD1-CB 4.4Å; I212-L411 HydrophobicContact CD1-CD2 4.03Å; I212-L411 HydrophobicContact CG1-CB 3.82Å; I212-L411 HydrophobicContact CG1-CD2 4.32Å; I212-L411 HydrophobicContact CG1-CG 4.46Å; I212-L411 PolarHBondContact N-O 2.95Å; I212-L411 PolarHBondContact O-N 2.89Å; V239-L411 HydrophobicContact CG1-CD2 4.23Å; V239-L411 HydrophobicContact CG2-CD2 3.78Å; V257-L411 HydrophobicContact CG1-CD1 4.45Å; V257-L411 HydrophobicContact CG2-CD1 4.03Å; T263-L411 HydrophobicContact CG2-CD1 4.25Å; T263-L411 WeakPolarHBondContact O-CA 3.5Å; V265-L411 HydrophobicContact CG2-CD1 3.79Å; L409-L411 HydrophobicContact CD1-CB 4.48Å; L411-I413 HydrophobicContact CD1-CG1 4.24Å; L411-I413 HydrophobicContact CD2-CD1 3.88Å; L411-I413 HydrophobicContact CD2-CG1 4.33Å; L411-I413 HydrophobicContact CG-CD1 4.14Å; L411-I413 HydrophobicContact CG-CG1 4.04Å
412D97.6Very high94.8Very high8 Ų828.2 Ų28.24%0.04316%0.156CC..EExtended strand (participates in β ladder)trans-117.1114.4177.2-168.6-12.8000108.7L210 T263 F264 V265 F414L210-D412 CarbonylContact O-C 3.51Å; L210-D412 WeakPolarHBondContact O-CA 3.49Å; T263-D412 PolarHBondContact O-N 2.86Å; F264-D412 CarbonylContact C-O 3.51Å; F264-D412 WeakPolarHBondContact CA-O 3.49Å; F264-D412 HydrophobicContact CD1-CB 3.85Å; F264-D412 HydrophobicContact CE1-CB 4.33Å; V265-D412 PolarHBondContact N-O 3.15Å; D412-F414 HydrophobicContact CB-CD1 4.5Å; D412-F414 WeakPolarHBondContact OD1-CD1 3.23Å
413I98Very high94.9Very high1 Ų126.9 Ų26.91%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-114.5117.8179.1-60.3165.6000108.3F86 V89 G209 L210 V239 I241 V265 L411F86-I413 HydrophobicContact CZ-CB 4.34Å; F86-I413 HydrophobicContact CZ-CG2 4.01Å; F86-I413 WeakPolarHBondContact CZ-O 3.23Å; V89-I413 HydrophobicContact CB-CD1 4.27Å; V89-I413 HydrophobicContact CG1-CD1 3.42Å; V89-I413 VanDerWaalsContact CG1-CD1 3.42Å; V89-I413 HydrophobicContact CG2-CD1 3.83Å; V89-I413 HydrophobicContact CG2-CG2 4.5Å; G209-I413 CarbonylContact C-O 3.53Å; G209-I413 WeakPolarHBondContact CA-O 3.35Å; L210-I413 PolarHBondContact N-O 3.4Å; L210-I413 PolarHBondContact O-N 2.95Å; V239-I413 HydrophobicContact CG1-CD1 4.28Å; I241-I413 HydrophobicContact CD1-CD1 4.26Å; I241-I413 HydrophobicContact CD1-CG1 4.39Å; I241-I413 HydrophobicContact CD1-CG2 3.84Å; I241-I413 HydrophobicContact CG1-CD1 4.48Å; V265-I413 HydrophobicContact CB-CG1 4.07Å; V265-I413 HydrophobicContact CG2-CG1 4.3Å; L411-I413 HydrophobicContact CD1-CG1 4.24Å; L411-I413 HydrophobicContact CD2-CD1 3.88Å; L411-I413 HydrophobicContact CD2-CG1 4.33Å; L411-I413 HydrophobicContact CG-CD1 4.14Å; L411-I413 HydrophobicContact CG-CG1 4.04Å
414F97Very high94.8Very high21 Ų2128 Ų289%0.09215%0.148CC..EExtended strand (participates in β ladder)trans-145.5163.9-176.957.6-87.9000111.1M206 F264 V265 C267 D412M206-F414 HydrophobicContact CB-CD1 4.44Å; M206-F414 HydrophobicContact CB-CE1 4.32Å; F264-F414 HydrophobicContact CB-CE1 4.08Å; F264-F414 HydrophobicContact CB-CZ 4.5Å; F264-F414 HydrophobicContact CD1-CE1 4.28Å; V265-F414 PolarHBondContact O-N 3.34Å; V265-F414 VanDerWaalsContact O-N 3.17Å; C267-F414 WeakPolarHBondContact CB-O 3.31Å; C267-F414 PolarHBondContact N-O 2.86Å; D412-F414 HydrophobicContact CB-CD1 4.5Å; D412-F414 WeakPolarHBondContact OD1-CD1 3.23Å
415F96.4Very high94.8Very high4 Ų429.7 Ų29.72%0.01816%0.156CC..EExtended strand (participates in β ladder)trans-85.6138.2169.6-71.5-75.5000110.6L84 F86 T201 G204 G205 C267 Q269 Y375L84-F415 HydrophobicContact CB-CE2 4.11Å; L84-F415 HydrophobicContact CB-CZ 4.35Å; L84-F415 HydrophobicContact CD1-CD1 4.23Å; L84-F415 HydrophobicContact CD1-CE1 4.37Å; L84-F415 HydrophobicContact CD1-CG 4.28Å; F86-F415 HydrophobicContact CD2-CD2 4.41Å; F86-F415 HydrophobicContact CD2-CE2 4.06Å; T201-F415 HydrophobicContact CG2-CD2 3.4Å; T201-F415 VanDerWaalsContact CG2-CD2 3.4Å; T201-F415 HydrophobicContact CG2-CE2 3.8Å; T201-F415 HydrophobicContact CG2-CG 4.46Å; G204-F415 CarbonylContact C-O 3.58Å; G204-F415 WeakPolarHBondContact CA-O 3.21Å; G205-F415 PolarHBondContact N-O 2.78Å; C267-F415 HydrophobicContact CB-CD1 4.08Å; C267-F415 HydrophobicContact CB-CE1 4.32Å; C267-F415 VanDerWaalsContact O-CA 3.29Å; C267-F415 WeakPolarHBondContact O-CA 3.37Å; C267-F415 WeakPolarHBondContact O-CD1 3.37Å; Q269-F415 HydrophobicContact CB-CE1 4.1Å; Y375-F415 HydrophobicContact CD1-CE1 4.1Å; Y375-F415 HydrophobicContact CD1-CZ 4.45Å; Y375-F415 HydrophobicContact CE1-CE1 4.08Å; Y375-F415 HydrophobicContact CE1-CZ 4.04Å
416E92Very high94.7Very high114 Ų11432.7 Ų32.753%0.53316%0.162SC..EExtended strand (participates in β ladder)trans-60.3-55177.6-169.1173.8158.200111.4S266 C267S266-E416 WeakPolarHBondContact OG-CB 3.2Å; C267-E416 PolarHBondContact O-N 2.84Å; C267-E416 VanDerWaalsContact O-N 3.12Å
417A89.4Confident94.6Very high39 Ų3931.4 Ų31.432%0.32215%0.154SC..EExtended strand (participates in β ladder)trans-136.2170.6173.800000109.2N419A417-N419 WeakPolarHBondContact CB-OD1 3.39Å; A417-N419 PolarHBondContact O-N 3.07Å; A417-N419 PolarHBondContact O-OD1 3.26Å
418L88.3Confident94.3Very high32 Ų3232 Ų3217%0.16816%0.16CC..EExtended strand (participates in β ladder)trans-89.344.4176.2-58.4172.6000111.6S81 L84 T201 T202S81-L418 CarbonylContact C-O 3.53Å; S81-L418 WeakPolarHBondContact CA-O 3.36Å; S81-L418 PolarHBondContact N-O 3.48Å; S81-L418 WeakPolarHBondContact O-CB 3.49Å; L84-L418 HydrophobicContact CD1-CD2 4.36Å; L84-L418 HydrophobicContact CG-CD2 4.42Å; T201-L418 HydrophobicContact CG2-CD2 3.94Å; T202-L418 WeakPolarHBondContact O-CD1 3.27Å
419N90.7Very high94.1Very high24 Ų2432.7 Ų32.713%0.12816%0.162CC..EExtended strand (participates in β ladder)trans-106.7155.7173.252.22.2000109E78 R79 A417E78-N419 HydrophobicContact CG-CB 4.13Å; E78-N419 PolarHBondContact OE1-ND2 2.84Å; R79-N419 CarbonylContact O-C 3.58Å; R79-N419 WeakPolarHBondContact O-CA 3.25Å; A417-N419 WeakPolarHBondContact CB-OD1 3.39Å; A417-N419 PolarHBondContact O-N 3.07Å; A417-N419 PolarHBondContact O-OD1 3.26Å
420Y91.6Very high93.8Very high45 Ų4537.1 Ų37.118%0.17618%0.183CC..EExtended strand (participates in β ladder)trans-132140.3167.765.1-82.7000108.9R79 L84 Q269 Q271 T422R79-Y420 HydrophobicContact CB-CD1 4.18Å; R79-Y420 HydrophobicContact CB-CD2 4.46Å; R79-Y420 HydrophobicContact CB-CE1 3.66Å; R79-Y420 HydrophobicContact CB-CE2 4Å; R79-Y420 WeakPolarHBondContact CD-OH 3.28Å; R79-Y420 HydrophobicContact CG-CE2 4.48Å; R79-Y420 PolarHBondContact N-O 3.38Å; R79-Y420 WeakPolarHBondContact O-CD1 3.48Å; R79-Y420 PolarHBondContact O-N 3.02Å; L84-Y420 HydrophobicContact CD2-CD1 4.22Å; Q269-Y420 CarbonylContact O-C 3.56Å; Q269-Y420 VanDerWaalsContact O-CA 3.32Å; Q269-Y420 WeakPolarHBondContact O-CA 3.47Å; Q271-Y420 HydrophobicContact CG-CD2 4.26Å; Y420-T422 HydrophobicContact CD2-CG2 3.74Å; Y420-T422 HydrophobicContact CE2-CG2 3.44Å; Y420-T422 VanDerWaalsContact CE2-CG2 3.44Å
421E93.9Very high93.5Very high49 Ų4940.9 Ų40.923%0.22920%0.201CC..EExtended strand (participates in β ladder)trans-88.6131.8176.7-60.3-178.3158.600108.9D77 Q268 Q269 Q270 Q271D77-E421 CarbonylContact O-C 3.58Å; D77-E421 WeakPolarHBondContact O-CA 3.32Å; Q268-E421 VanDerWaalsContact NE2-CG 3.34Å; Q268-E421 PolarHBondContact NE2-OE1 3.37Å; Q268-E421 PolarHBondContact OE1-OE1 3.05Å; Q269-E421 PolarHBondContact O-N 3.24Å; Q270-E421 CarbonylContact C-O 3.59Å; Q270-E421 VanDerWaalsContact CA-O 3.31Å; Q270-E421 WeakPolarHBondContact CA-O 3.31Å; Q270-E421 HydrophobicContact CG-CB 4.23Å; Q270-E421 PolarHBondContact NE2-OE2 3.23Å; Q271-E421 PolarHBondContact N-O 2.8Å
422T94.4Very high93.3Very high11 Ų1144.3 Ų44.37%0.06722%0.224CC..EExtended strand (participates in β ladder)trans-104.7119.8169.757.40000108.8D77 Q271 Y420D77-T422 WeakPolarHBondContact CB-OG1 3.06Å; D77-T422 PolarHBondContact N-O 3.07Å; D77-T422 PolarHBondContact O-N 3.45Å; D77-T422 PolarHBondContact O-OG1 3.23Å; Q271-T422 HydrophobicContact CB-CG2 4.37Å; Q271-T422 WeakPolarHBondContact O-CA 3.38Å; Y420-T422 HydrophobicContact CD2-CG2 3.74Å; Y420-T422 HydrophobicContact CE2-CG2 3.44Å; Y420-T422 VanDerWaalsContact CE2-CG2 3.44Å
423V94.6Very high93Very high27 Ų2748.2 Ų48.216%0.16424%0.242CC..EExtended strand (participates in β ladder)trans-109.3103174.7-173.20000107.2T74 L76 Q271 L272 S273T74-V423 HydrophobicContact CG2-CG1 3.55Å; L76-V423 HydrophobicContact CD2-CB 3.98Å; L76-V423 HydrophobicContact CD2-CG1 3.69Å; L76-V423 HydrophobicContact CD2-CG2 3.54Å; Q271-V423 PolarHBondContact O-N 3.49Å; L272-V423 WeakPolarHBondContact CA-O 3.36Å; L272-V423 HydrophobicContact CD2-CB 3.61Å; L272-V423 HydrophobicContact CD2-CG1 4.28Å; L272-V423 HydrophobicContact CD2-CG2 3.69Å; S273-V423 PolarHBondContact N-O 3.48Å
424E94.7Very high92.8Very high47 Ų4749.1 Ų49.122%0.2225%0.247CC..EExtended strand (participates in β ladder)trans-117.9131.5-175.866.7-176.3168.900111.6T74 A75 S273 K426T74-E424 CarbonylContact C-O 3.52Å; T74-E424 WeakPolarHBondContact CA-O 3.36Å; A75-E424 HydrophobicContact CB-CG 3.75Å; A75-E424 PolarHBondContact N-O 3.2Å; A75-E424 PolarHBondContact O-N 3.46Å; S273-E424 CarbonylContact O-C 3.3Å; S273-E424 WeakPolarHBondContact O-CA 3.47Å; E424-K426 HydrophobicContact CG-CG 4.3Å; E424-K426 WeakPolarHBondContact OE1-CE 3.36Å; E424-K426 IonicContact OE1-NZ 3.69Å; E424-K426 PolarHBondContact OE1-NZ 2.92Å
425Q94.3Very high92.6Very high37 Ų3753.9 Ų53.917%0.17327%0.273CS..EExtended strand (participates in β ladder)trans-81.7120.8167.7-70.8-176.6-30.300109.5H72 Q73 S273 F274 L275H72-Q425 PolarHBondContact NE2-NE2 2.92Å; Q73-Q425 WeakPolarHBondContact O-CA 3.24Å; S273-Q425 PolarHBondContact O-N 3.45Å; F274-Q425 HydrophobicContact CD1-CG 4.24Å; L275-Q425 HydrophobicContact CB-CB 4.5Å; L275-Q425 HydrophobicContact CD1-CB 4.09Å; L275-Q425 HydrophobicContact CG-CB 3.87Å; L275-Q425 VanDerWaalsContact CG-O 3.29Å; L275-Q425 WeakPolarHBondContact CG-O 3.38Å; L275-Q425 VanDerWaalsContact N-OE1 3.09Å
426K93.3Very high92.5Very high103 Ų10355.8 Ų55.845%0.44829%0.294SS..EExtended strand (participates in β ladder)trans-110.4147.9174.4-73-178172155.50110.4H72 Q73 A75 E424 A428H72-K426 CarbonylContact C-O 3.54Å; H72-K426 VanDerWaalsContact CA-O 3.24Å; H72-K426 WeakPolarHBondContact CA-O 3.32Å; H72-K426 VanDerWaalsContact CB-O 3.31Å; H72-K426 WeakPolarHBondContact CB-O 3.5Å; Q73-K426 PolarHBondContact N-O 2.89Å; Q73-K426 PolarHBondContact O-N 3.39Å; A75-K426 HydrophobicContact CB-CD 4.31Å; E424-K426 HydrophobicContact CG-CG 4.3Å; E424-K426 WeakPolarHBondContact OE1-CE 3.36Å; E424-K426 IonicContact OE1-NZ 3.69Å; E424-K426 PolarHBondContact OE1-NZ 2.92Å; K426-A428 PolarHBondContact O-N 2.92Å
427K93.3Very high92.6Very high82 Ų8253.4 Ų53.436%0.35728%0.284SS..EExtended strand (participates in β ladder)trans-63.4125.4173.6-61.6177.8-175.4179.90107.5L275 W279 Y429 E430L275-K427 HydrophobicContact CD1-CG 4Å; W279-K427 HydrophobicContact CD2-CD 4.26Å; W279-K427 HydrophobicContact CD2-CG 4.37Å; W279-K427 HydrophobicContact CG-CG 4.25Å; W279-K427 HydrophobicContact CZ2-CD 4.07Å; K427-Y429 PolarHBondContact O-N 3.4Å; K427-E430 HydrophobicContact CB-CG 4.27Å
428A91.2Very high92.8Very high16 Ų1653.5 Ų53.513%0.13228%0.279CS..SBendtrans-72.7-24.3-17900000111.8H71 Q73 K426H71-A428 HydrophobicContact CB-CB 3.87Å; H71-A428 VanDerWaalsContact O-CB 3.25Å; H71-A428 WeakPolarHBondContact O-CB 3.14Å; H71-A428 PolarHBondContact O-N 3.46Å; Q73-A428 HydrophobicContact CG-CB 3.81Å; K426-A428 PolarHBondContact O-N 2.92Å
429Y92Very high93Very high20 Ų2053.5 Ų53.58%0.07829%0.287CS..SBendtrans-144.3119.1-177.9-160.9-118000110.4Y66 Y67 K427 E433 L434 D437Y66-Y429 HydrophobicContact CD1-CD1 4.25Å; Y66-Y429 HydrophobicContact CD1-CG 4.22Å; Y66-Y429 HydrophobicContact CE1-CD2 4.46Å; Y66-Y429 HydrophobicContact CE1-CG 4.17Å; Y67-Y429 AromaticContact CD2-CD1 3.92Å; Y67-Y429 HydrophobicContact CD2-CD1 3.92Å; Y67-Y429 HydrophobicContact CG-CD1 4.39Å; K427-Y429 PolarHBondContact O-N 3.4Å; Y429-E433 WeakPolarHBondContact CA-OE2 3.48Å; Y429-E433 HydrophobicContact CD2-CB 3.82Å; Y429-E433 VanDerWaalsContact CD2-OE2 3.24Å; Y429-E433 WeakPolarHBondContact CD2-OE2 3.38Å; Y429-E433 HydrophobicContact CE2-CB 3.62Å; Y429-L434 HydrophobicContact CD1-CB 4.46Å; Y429-L434 HydrophobicContact CE1-CB 3.64Å; Y429-L434 HydrophobicContact CE1-CD1 3.86Å; Y429-L434 HydrophobicContact CE1-CG 4.32Å; Y429-L434 WeakPolarHBondContact OH-CA 3.45Å; Y429-D437 WeakPolarHBondContact CE2-OD2 3.48Å; Y429-D437 WeakPolarHBondContact OH-CB 3.41Å; Y429-D437 VanDerWaalsContact OH-CG 3.3Å; Y429-D437 PolarHBondContact OH-OD2 3.34Å
430E91.7Very high93.1Very high94 Ų9454.5 Ų54.544%0.43930%0.303SS..  trans-99.4168.5-179.2-68-163.2161.800113K427 S432 E433 L434K427-E430 HydrophobicContact CB-CG 4.27Å; E430-S432 VanDerWaalsContact C-N 3.25Å; E430-S432 WeakPolarHBondContact CB-OG 3.42Å; E430-S432 PolarHBondContact O-N 3.1Å; E430-E433 HydrophobicContact CB-CG 4.47Å; E430-E433 PolarHBondContact N-OE2 3.42Å; E430-E433 PolarHBondContact O-N 2.86Å; E430-L434 PolarHBondContact O-N 3.24Å
431M91.7Very high93.2Very high85 Ų8553.5 Ų53.542%0.41930%0.3SS..Hα-helixtrans-62.8-36.5177.1-116.74356.700112Y67 E433 L434 L435Y67-M431 HydrophobicContact CD2-CE 4.46Å; Y67-M431 HydrophobicContact CD2-SD 4.24Å; Y67-M431 HydrophobicContact CE1-CE 4.46Å; Y67-M431 HydrophobicContact CE1-SD 3.8Å; Y67-M431 HydrophobicContact CE2-CE 3.27Å; Y67-M431 HydrophobicContact CE2-SD 3.36Å; Y67-M431 WeakPolarHBondContact CE2-SD 3.44Å; Y67-M431 WeakPolarHBondContact OH-CE 3.39Å; Y67-M431 PolarHBondContact OH-SD 3.27Å; M431-E433 VanDerWaalsContact C-N 3.33Å; M431-L434 PolarHBondContact O-N 2.88Å; M431-L435 WeakPolarHBondContact O-CB 3.25Å; M431-L435 VanDerWaalsContact O-CG 3.3Å; M431-L435 WeakPolarHBondContact O-CG 3.36Å; M431-L435 PolarHBondContact O-N 2.96Å
432S92.9Very high93.1Very high72 Ų7252.3 Ų52.350%0.50330%0.295SS..Hα-helixtrans-59.2-45.4174.542.60000111.1E430 L435 G436E430-S432 VanDerWaalsContact C-N 3.25Å; E430-S432 WeakPolarHBondContact CB-OG 3.42Å; E430-S432 PolarHBondContact O-N 3.1Å; S432-L435 PolarHBondContact O-N 2.84Å; S432-G436 PolarHBondContact O-N 2.91Å
433E92.5Very high93Very high90 Ų9053.6 Ų53.642%0.42131%0.31SS..Hα-helixtrans-68.7-41.6178.6-61.7-179.9168.800111.7Y429 E430 M431 L435 G436 D437Y429-E433 WeakPolarHBondContact CA-OE2 3.48Å; Y429-E433 HydrophobicContact CD2-CB 3.82Å; Y429-E433 VanDerWaalsContact CD2-OE2 3.24Å; Y429-E433 WeakPolarHBondContact CD2-OE2 3.38Å; Y429-E433 HydrophobicContact CE2-CB 3.62Å; E430-E433 HydrophobicContact CB-CG 4.47Å; E430-E433 PolarHBondContact N-OE2 3.42Å; E430-E433 PolarHBondContact O-N 2.86Å; M431-E433 VanDerWaalsContact C-N 3.33Å; E433-L435 PolarHBondContact O-N 3.37Å; E433-G436 PolarHBondContact O-N 2.87Å; E433-D437 PolarHBondContact O-N 2.92Å
434L93.5Very high92.8Very high19 Ų1958.8 Ų58.810%0.09934%0.337CS..Hα-helixtrans-57.7-48173.3179.966000112.3R63 V64 Y67 Y429 E430 M431 G436 D437 I438R63-L434 HydrophobicContact CB-CD1 4.12Å; V64-L434 HydrophobicContact CG2-CD1 4.28Å; Y67-L434 HydrophobicContact CD1-CD2 3.86Å; Y67-L434 HydrophobicContact CD2-CD2 4.36Å; Y67-L434 HydrophobicContact CE1-CD2 4.46Å; Y67-L434 HydrophobicContact CG-CD2 3.84Å; Y429-L434 HydrophobicContact CD1-CB 4.46Å; Y429-L434 HydrophobicContact CE1-CB 3.64Å; Y429-L434 HydrophobicContact CE1-CD1 3.86Å; Y429-L434 HydrophobicContact CE1-CG 4.32Å; Y429-L434 WeakPolarHBondContact OH-CA 3.45Å; E430-L434 PolarHBondContact O-N 3.24Å; M431-L434 PolarHBondContact O-N 2.88Å; L434-G436 VanDerWaalsContact C-N 3.31Å; L434-D437 PolarHBondContact O-N 3.18Å; L434-I438 HydrophobicContact CD1-CD1 3.85Å; L434-I438 HydrophobicContact CD1-CG1 4.26Å; L434-I438 HydrophobicContact CG-CD1 3.9Å; L434-I438 WeakPolarHBondContact O-CB 3.29Å; L434-I438 VanDerWaalsContact O-CG1 3.25Å; L434-I438 WeakPolarHBondContact O-CG1 3.47Å; L434-I438 PolarHBondContact O-N 3.01Å
435L92.8Very high92.6Very high122 Ų12259.1 Ų59.164%0.63934%0.337SS*.Hα-helixtrans-66.4-36.1177.9-70.1172.4000111.6M431 S432 E433 G439M431-L435 WeakPolarHBondContact O-CB 3.25Å; M431-L435 VanDerWaalsContact O-CG 3.3Å; M431-L435 WeakPolarHBondContact O-CG 3.36Å; M431-L435 PolarHBondContact O-N 2.96Å; S432-L435 PolarHBondContact O-N 2.84Å; E433-L435 PolarHBondContact O-N 3.37Å; L435-G439 PolarHBondContact O-N 3.12Å
436G93.9Very high92.3Very high44 Ų4458.3 Ų58.345%0.45433%0.334SS..Hα-helixtrans-61.3-48.6173.900000112.4S432 E433 L434 G439 G440S432-G436 PolarHBondContact O-N 2.91Å; E433-G436 PolarHBondContact O-N 2.87Å; L434-G436 VanDerWaalsContact C-N 3.31Å; G436-G439 PolarHBondContact O-N 3.35Å; G436-G440 PolarHBondContact O-N 3.47Å
437D94.3Very high92Very high63 Ų6354.3 Ų54.334%0.33732%0.322SS..Hα-helixtrans-67-44.7179.7-77.2-10.2000111.9R63 Y429 E433 L434 G439 G440 Q441R63-D437 HydrophobicContact CG-CB 4.4Å; Y429-D437 WeakPolarHBondContact CE2-OD2 3.48Å; Y429-D437 WeakPolarHBondContact OH-CB 3.41Å; Y429-D437 VanDerWaalsContact OH-CG 3.3Å; Y429-D437 PolarHBondContact OH-OD2 3.34Å; E433-D437 PolarHBondContact O-N 2.92Å; L434-D437 PolarHBondContact O-N 3.18Å; D437-G439 VanDerWaalsContact C-N 3.35Å; D437-G439 PolarHBondContact O-N 3.24Å; D437-G440 PolarHBondContact O-N 2.87Å; D437-Q441 WeakPolarHBondContact O-CB 3.25Å; D437-Q441 VanDerWaalsContact O-CG 3.23Å; D437-Q441 WeakPolarHBondContact O-CG 3.33Å; D437-Q441 PolarHBondContact O-N 3.4Å
438I93.8Very high91.7Very high41 Ų4151 Ų5121%0.2131%0.31CS..Hα-helixtrans-61.5-46.1175.8-67.5171.7000110.2V60 V64 L434 Q441 M442V60-I438 HydrophobicContact CG1-CD1 4.29Å; V60-I438 HydrophobicContact CG1-CG1 4.22Å; V60-I438 HydrophobicContact CG2-CG1 4.29Å; V60-I438 HydrophobicContact CG2-CG2 4.29Å; V64-I438 HydrophobicContact CG2-CD1 4.42Å; L434-I438 HydrophobicContact CD1-CD1 3.85Å; L434-I438 HydrophobicContact CD1-CG1 4.26Å; L434-I438 HydrophobicContact CG-CD1 3.9Å; L434-I438 WeakPolarHBondContact O-CB 3.29Å; L434-I438 VanDerWaalsContact O-CG1 3.25Å; L434-I438 WeakPolarHBondContact O-CG1 3.47Å; L434-I438 PolarHBondContact O-N 3.01Å; I438-Q441 PolarHBondContact O-N 2.93Å; I438-M442 WeakPolarHBondContact O-CB 3.29Å; I438-M442 PolarHBondContact O-N 2.89Å
439G92.8Very high91.6Very high32 Ų3252.7 Ų52.733%0.3332%0.321SS..Hα-helixtrans-62.3-43.6178.200000112.5L435 G436 D437 M442 G443L435-G439 PolarHBondContact O-N 3.12Å; G436-G439 PolarHBondContact O-N 3.35Å; D437-G439 VanDerWaalsContact C-N 3.35Å; D437-G439 PolarHBondContact O-N 3.24Å; G439-M442 PolarHBondContact O-N 3.14Å; G439-G443 PolarHBondContact O-N 3.18Å
440G92.9Very high91.3Very high46 Ų4657.7 Ų57.747%0.47435%0.348SS..Hα-helixtrans-63.7-4617700000112.7G436 D437 G443 L444G436-G440 PolarHBondContact O-N 3.47Å; D437-G440 PolarHBondContact O-N 2.87Å; G440-G443 PolarHBondContact O-N 3.16Å; G440-L444 WeakPolarHBondContact O-CB 3.44Å; G440-L444 PolarHBondContact O-N 3.15Å
441Q92.8Very high91Very high23 Ų2358.8 Ų58.811%0.10736%0.356CS..Hα-helixtrans-66.3-39.3177.1-69.8173.43.300111.9F56 Q59 D437 I438 L444 F445F56-Q441 HydrophobicContact CD2-CB 3.96Å; F56-Q441 HydrophobicContact CE2-CB 4.16Å; Q59-Q441 VanDerWaalsContact OE1-NE2 3.13Å; D437-Q441 WeakPolarHBondContact O-CB 3.25Å; D437-Q441 VanDerWaalsContact O-CG 3.23Å; D437-Q441 WeakPolarHBondContact O-CG 3.33Å; D437-Q441 PolarHBondContact O-N 3.4Å; I438-Q441 PolarHBondContact O-N 2.93Å; Q441-L444 PolarHBondContact O-N 3.28Å; Q441-F445 HydrophobicContact CB-CD2 4.41Å; Q441-F445 WeakPolarHBondContact O-CD2 3.44Å; Q441-F445 PolarHBondContact O-N 2.93Å
442M91.6Very high90.8Very high25 Ų2554.8 Ų54.812%0.12334%0.337CS..Hα-helixtrans-62.2-44.9176.4-177.4177.95900111.2F56 I438 G439 I446 G447 A448 I453F56-M442 HydrophobicContact CD2-CB 4.41Å; F56-M442 VanDerWaalsContact CE2-CA 3.4Å; F56-M442 HydrophobicContact CE2-CB 3.56Å; F56-M442 HydrophobicContact CE2-CG 4.34Å; F56-M442 HydrophobicContact CZ-CB 3.84Å; F56-M442 HydrophobicContact CZ-CG 4.19Å; I438-M442 WeakPolarHBondContact O-CB 3.29Å; I438-M442 PolarHBondContact O-N 2.89Å; G439-M442 PolarHBondContact O-N 3.14Å; M442-I446 WeakPolarHBondContact O-CB 3.46Å; M442-I446 PolarHBondContact O-N 3.23Å; M442-I446 VanDerWaalsContact O-N 3.17Å; M442-G447 PolarHBondContact O-N 3.43Å; M442-A448 HydrophobicContact CG-CB 3.73Å; M442-A448 PolarHBondContact O-N 3.5Å; M442-A448 HydrophobicContact SD-CB 4.17Å; M442-I453 HydrophobicContact CE-CD1 4.47Å; M442-I453 HydrophobicContact SD-CD1 3.81Å; M442-I453 HydrophobicContact SD-CG1 4.24Å
443G92Very high90.5Very high38 Ų3854.9 Ų54.939%0.39233%0.331SS..Hα-helixtrans-64.2-40.3175.100000112.8G439 G440 G447G439-G443 PolarHBondContact O-N 3.18Å; G440-G443 PolarHBondContact O-N 3.16Å; G443-G447 VanDerWaalsContact O-CA 3.23Å; G443-G447 WeakPolarHBondContact O-CA 3.3Å; G443-G447 PolarHBondContact O-N 3.32Å; G443-G447 VanDerWaalsContact O-N 3.15Å
444L91.6Very high90.2Very high136 Ų13655.2 Ų55.271%0.71234%0.335SS*.Hα-helixtrans-71.4-48.1-177.2-177.864000113.6G440 Q441G440-L444 WeakPolarHBondContact O-CB 3.44Å; G440-L444 PolarHBondContact O-N 3.15Å; Q441-L444 PolarHBondContact O-N 3.28Å
445F89.9Confident89.9Confident53 Ų5357.7 Ų57.723%0.23235%0.346CS..Hα-helixtrans-86.5-36.9-172.9-74-70.2000113.6S52 T55 F56 Q59 Q441S52-F445 WeakPolarHBondContact CB-O 3.37Å; S52-F445 PolarHBondContact OG-O 3.44Å; T55-F445 HydrophobicContact CG2-CD1 4.34Å; T55-F445 HydrophobicContact CG2-CE1 3.68Å; T55-F445 HydrophobicContact CG2-CE2 4.28Å; T55-F445 HydrophobicContact CG2-CZ 3.66Å; F56-F445 HydrophobicContact CB-CB 4.03Å; F56-F445 HydrophobicContact CB-CD2 4.29Å; F56-F445 HydrophobicContact CB-CG 4.36Å; Q59-F445 VanDerWaalsContact NE2-CE2 3.35Å; Q59-F445 VanDerWaalsContact NE2-CZ 3.25Å; Q441-F445 HydrophobicContact CB-CD2 4.41Å; Q441-F445 WeakPolarHBondContact O-CD2 3.44Å; Q441-F445 PolarHBondContact O-N 2.93Å
446I88.3Confident89.6Confident20 Ų2054.8 Ų54.810%0.10333%0.331CS..Hα-helixtrans-110.1-19.3-170.7-59.1178.5000111M26 H27 V53 F56 M442 A448M26-I446 HydrophobicContact CG-CG2 3.43Å; M26-I446 VanDerWaalsContact CG-CG2 3.43Å; M26-I446 HydrophobicContact SD-CG2 3.48Å; M26-I446 WeakPolarHBondContact SD-CG2 3.24Å; H27-I446 WeakPolarHBondContact CB-O 3.34Å; H27-I446 PolarHBondContact N-O 3.38Å; V53-I446 HydrophobicContact CG2-CD1 4.05Å; V53-I446 HydrophobicContact CG2-CG1 4.25Å; F56-I446 HydrophobicContact CB-CD1 4.1Å; F56-I446 HydrophobicContact CB-CG1 4.42Å; F56-I446 HydrophobicContact CD1-CD1 3.42Å; F56-I446 VanDerWaalsContact CD1-CD1 3.42Å; F56-I446 HydrophobicContact CE1-CD1 3.93Å; F56-I446 HydrophobicContact CG-CD1 3.76Å; F56-I446 HydrophobicContact CG-CG1 4.43Å; M442-I446 WeakPolarHBondContact O-CB 3.46Å; M442-I446 PolarHBondContact O-N 3.23Å; M442-I446 VanDerWaalsContact O-N 3.17Å; I446-A448 HydrophobicContact CB-CB 4.11Å; I446-A448 HydrophobicContact CG2-CB 3.61Å; I446-A448 PolarHBondContact O-N 2.89Å
447G86.9Confident89.2Confident20 Ų2057 Ų5721%0.20633%0.331CS..  trans67.315.5-169.800000112.6M442 G443M442-G447 PolarHBondContact O-N 3.43Å; G443-G447 VanDerWaalsContact O-CA 3.23Å; G443-G447 WeakPolarHBondContact O-CA 3.3Å; G443-G447 PolarHBondContact O-N 3.32Å; G443-G447 VanDerWaalsContact O-N 3.15Å
448A86.9Confident88.9Confident11 Ų1158.8 Ų58.89%0.09134%0.341CS..  trans-89.1152.1-177.100000111.1M442 I446 T452M442-A448 HydrophobicContact CG-CB 3.73Å; M442-A448 PolarHBondContact O-N 3.5Å; M442-A448 HydrophobicContact SD-CB 4.17Å; I446-A448 HydrophobicContact CB-CB 4.11Å; I446-A448 HydrophobicContact CG2-CB 3.61Å; I446-A448 PolarHBondContact O-N 2.89Å; A448-T452 WeakPolarHBondContact CA-OG1 3.45Å; A448-T452 HydrophobicContact CB-CG2 3.77Å
449S88.4Confident88.5Confident53 Ų5358.2 Ų58.237%0.37134%0.336SS..  trans-124.5179.7171.370.50000110.1L451 T452 I453S449-L451 PolarHBondContact O-N 3.46Å; S449-L451 PolarHBondContact OG-N 2.94Å; S449-T452 PolarHBondContact N-OG1 3.38Å; S449-T452 WeakPolarHBondContact O-CB 3.27Å; S449-T452 PolarHBondContact O-N 2.95Å; S449-I453 PolarHBondContact O-N 3.15Å
450L85.4Confident88.1Confident125 Ų12561.2 Ų61.265%0.65435%0.345SS*.Hα-helixtrans-55.1-34.1171.3-176.462.4000112.1I453 L454L450-I453 PolarHBondContact O-N 3.36Å; L450-L454 PolarHBondContact O-N 2.89Å; L450-L454 VanDerWaalsContact O-N 3.16Å
451L86.9Confident87.8Confident116 Ų11663 Ų6361%0.60735%0.349SS*.Hα-helixtrans-66.4-37.9176.9-62.8175.9000111.7S449 I453 L454 E455S449-L451 PolarHBondContact O-N 3.46Å; S449-L451 PolarHBondContact OG-N 2.94Å; L451-I453 VanDerWaalsContact C-N 3.28Å; L451-I453 PolarHBondContact O-N 3.24Å; L451-L454 HydrophobicContact CD2-CD1 4.42Å; L451-L454 WeakPolarHBondContact O-CB 3.08Å; L451-L454 PolarHBondContact O-N 3.49Å; L451-L454 VanDerWaalsContact O-N 3.13Å; L451-E455 WeakPolarHBondContact O-CG 3.47Å; L451-E455 PolarHBondContact O-N 3.39Å
452T86.8Confident87.4Confident1 Ų164.8 Ų64.81%0.00636%0.357CS..Hα-helixtrans-62.2-36.6175.4-44.70000111.8S25 M26 A448 S449 E455 I456S25-T452 WeakPolarHBondContact OG-CA 3.47Å; S25-T452 VanDerWaalsContact OG-CB 3.25Å; S25-T452 WeakPolarHBondContact OG-CB 3.45Å; S25-T452 VanDerWaalsContact OG-CG2 3.27Å; S25-T452 WeakPolarHBondContact OG-CG2 3.47Å; S25-T452 PolarHBondContact OG-OG1 3.26Å; M26-T452 HydrophobicContact CB-CG2 4.05Å; A448-T452 WeakPolarHBondContact CA-OG1 3.45Å; A448-T452 HydrophobicContact CB-CG2 3.77Å; S449-T452 PolarHBondContact N-OG1 3.38Å; S449-T452 WeakPolarHBondContact O-CB 3.27Å; S449-T452 PolarHBondContact O-N 2.95Å; T452-E455 PolarHBondContact O-N 3.24Å; T452-I456 HydrophobicContact CG2-CD1 4.36Å; T452-I456 VanDerWaalsContact O-CG1 3.28Å; T452-I456 WeakPolarHBondContact O-CG1 3.45Å; T452-I456 PolarHBondContact O-N 2.82Å
453I85.6Confident87Confident74 Ų7464.9 Ų64.938%0.37936%0.359SS..Hα-helixtrans-65-44.6174.3-61.9174.4000110.2M442 S449 L450 L451 I456 L457M442-I453 HydrophobicContact CE-CD1 4.47Å; M442-I453 HydrophobicContact SD-CD1 3.81Å; M442-I453 HydrophobicContact SD-CG1 4.24Å; S449-I453 PolarHBondContact O-N 3.15Å; L450-I453 PolarHBondContact O-N 3.36Å; L451-I453 VanDerWaalsContact C-N 3.28Å; L451-I453 PolarHBondContact O-N 3.24Å; I453-I456 PolarHBondContact O-N 3.45Å; I453-L457 HydrophobicContact CG2-CD1 4.08Å; I453-L457 HydrophobicContact CG2-CG 4.41Å; I453-L457 WeakPolarHBondContact O-CG 3.49Å; I453-L457 PolarHBondContact O-N 3.33Å
454L87.3Confident86.5Confident97 Ų9769.5 Ų69.551%0.50837%0.369SS..Hα-helixtrans-63-40.2176.8-66.7174.3000112L450 L451 I456 L457 D458L450-L454 PolarHBondContact O-N 2.89Å; L450-L454 VanDerWaalsContact O-N 3.16Å; L451-L454 HydrophobicContact CD2-CD1 4.42Å; L451-L454 WeakPolarHBondContact O-CB 3.08Å; L451-L454 PolarHBondContact O-N 3.49Å; L451-L454 VanDerWaalsContact O-N 3.13Å; L454-I456 VanDerWaalsContact C-N 3.34Å; L454-I456 PolarHBondContact O-N 2.87Å; L454-L457 PolarHBondContact O-N 3.18Å; L454-D458 WeakPolarHBondContact O-CB 3.31Å; L454-D458 PolarHBondContact O-N 3.28Å
455E87.6Confident86Confident72 Ų7269.7 Ų69.734%0.33636%0.36SS..Hα-helixtrans-58.6-43.7173.6-73.3169.1-169.400111.8F20 S25 L451 T452 Y459F20-E455 WeakPolarHBondContact CE2-O 3.28Å; S25-E455 PolarHBondContact N-OE2 3.48Å; S25-E455 VanDerWaalsContact N-OE2 3.1Å; S25-E455 PolarHBondContact OG-OE1 3.12Å; S25-E455 PolarHBondContact OG-OE2 3.47Å; L451-E455 WeakPolarHBondContact O-CG 3.47Å; L451-E455 PolarHBondContact O-N 3.39Å; T452-E455 PolarHBondContact O-N 3.24Å; E455-Y459 PolarHBondContact O-N 3.43Å; E455-Y459 VanDerWaalsContact O-N 3.1Å
456I85.6Confident85.3Confident60 Ų6070.4 Ų70.431%0.30837%0.366SS..Hα-helixtrans-66.7-42.9177.2-67.5165.5000110.9F20 T452 I453 L454 Y459 L460F20-I456 HydrophobicContact CE1-CG1 4.4Å; F20-I456 HydrophobicContact CZ-CB 4.48Å; F20-I456 HydrophobicContact CZ-CG1 3.94Å; T452-I456 HydrophobicContact CG2-CD1 4.36Å; T452-I456 VanDerWaalsContact O-CG1 3.28Å; T452-I456 WeakPolarHBondContact O-CG1 3.45Å; T452-I456 PolarHBondContact O-N 2.82Å; I453-I456 PolarHBondContact O-N 3.45Å; L454-I456 VanDerWaalsContact C-N 3.34Å; L454-I456 PolarHBondContact O-N 2.87Å; I456-Y459 PolarHBondContact O-N 2.99Å; I456-L460 HydrophobicContact CG2-CD1 3.98Å; I456-L460 HydrophobicContact CG2-CG 4.37Å; I456-L460 WeakPolarHBondContact O-CB 3.39Å; I456-L460 VanDerWaalsContact O-CG 3.25Å; I456-L460 WeakPolarHBondContact O-CG 3.46Å; I456-L460 PolarHBondContact O-N 3.32Å
457L86.8Confident84.6Confident90 Ų9076.9 Ų76.947%0.47139%0.394SS..Hα-helixtrans-64.5-42.2177.9-72.2174.2000111.9I453 L454 L460 C461I453-L457 HydrophobicContact CG2-CD1 4.08Å; I453-L457 HydrophobicContact CG2-CG 4.41Å; I453-L457 WeakPolarHBondContact O-CG 3.49Å; I453-L457 PolarHBondContact O-N 3.33Å; L454-L457 PolarHBondContact O-N 3.18Å; L457-L460 PolarHBondContact O-N 3.43Å; L457-C461 WeakPolarHBondContact O-CB 3.43Å; L457-C461 PolarHBondContact O-N 2.88Å; L457-C461 PolarHBondContact O-SG 2.82Å; L457-C461 VanDerWaalsContact O-SG 3.34Å
458D87.6Confident83.7Confident101 Ų10178.6 Ų78.654%0.5440%0.4SS..Hα-helixtrans-59.9-48.7176.7-168.127.1000110.7L454 L460 C461 E462L454-D458 WeakPolarHBondContact O-CB 3.31Å; L454-D458 PolarHBondContact O-N 3.28Å; D458-L460 PolarHBondContact O-N 2.88Å; D458-C461 WeakPolarHBondContact O-CB 3.31Å; D458-C461 PolarHBondContact O-N 2.89Å; D458-C461 VanDerWaalsContact O-N 3.15Å; D458-E462 WeakPolarHBondContact O-CG 3.2Å; D458-E462 PolarHBondContact O-N 3.04Å
459Y85.1Confident82.4Confident29 Ų2983.1 Ų83.111%0.11442%0.422CS..Hα-helixtrans-60-42.9174.3175.5-102.9000113I17 F20 E455 I456 C461 E462 V463I17-Y459 WeakPolarHBondContact CA-OH 3.29Å; I17-Y459 HydrophobicContact CD1-CE1 3.89Å; I17-Y459 PolarHBondContact N-OH 3.49Å; F20-Y459 HydrophobicContact CB-CD2 3.74Å; F20-Y459 HydrophobicContact CB-CE2 3.64Å; F20-Y459 HydrophobicContact CB-CG 4.29Å; F20-Y459 AromaticContact CD1-CD1 3.96Å; F20-Y459 HydrophobicContact CD1-CD1 3.96Å; F20-Y459 HydrophobicContact CD1-CD2 4.36Å; F20-Y459 HydrophobicContact CD1-CE1 4.19Å; F20-Y459 HydrophobicContact CD1-CG 4.05Å; F20-Y459 HydrophobicContact CD2-CD1 4.27Å; F20-Y459 AromaticContact CD2-CD2 3.58Å; F20-Y459 HydrophobicContact CD2-CD2 3.58Å; F20-Y459 HydrophobicContact CD2-CE2 4.35Å; F20-Y459 AromaticContact CD2-CG 3.52Å; F20-Y459 HydrophobicContact CD2-CG 3.52Å; F20-Y459 HydrophobicContact CE1-CD1 4.12Å; F20-Y459 HydrophobicContact CE1-CG 4.29Å; F20-Y459 HydrophobicContact CE2-CD1 4.42Å; F20-Y459 HydrophobicContact CE2-CD2 4.31Å; F20-Y459 AromaticContact CE2-CG 3.8Å; F20-Y459 HydrophobicContact CE2-CG 3.8Å; F20-Y459 HydrophobicContact CG-CD1 4.04Å; F20-Y459 AromaticContact CG-CD2 3.61Å; F20-Y459 HydrophobicContact CG-CD2 3.61Å; F20-Y459 HydrophobicContact CG-CE1 4.33Å; F20-Y459 AromaticContact CG-CE2 3.93Å; F20-Y459 HydrophobicContact CG-CE2 3.93Å; F20-Y459 AromaticContact CG-CG 3.66Å; F20-Y459 HydrophobicContact CG-CG 3.66Å; F20-Y459 HydrophobicContact CZ-CD1 4.35Å; F20-Y459 HydrophobicContact CZ-CG 4.17Å; E455-Y459 PolarHBondContact O-N 3.43Å; E455-Y459 VanDerWaalsContact O-N 3.1Å; I456-Y459 PolarHBondContact O-N 2.99Å; Y459-C461 VanDerWaalsContact C-N 3.32Å; Y459-C461 PolarHBondContact O-N 2.91Å; Y459-E462 PolarHBondContact O-N 3.37Å; Y459-V463 HydrophobicContact CD1-CG2 4.31Å; Y459-V463 HydrophobicContact CD2-CG2 4.25Å; Y459-V463 HydrophobicContact CE1-CG2 3.88Å; Y459-V463 HydrophobicContact CE2-CG2 3.82Å; Y459-V463 HydrophobicContact CG-CG2 4.49Å; Y459-V463 WeakPolarHBondContact O-CB 3.4Å; Y459-V463 VanDerWaalsContact O-CG2 3.27Å; Y459-V463 WeakPolarHBondContact O-CG2 3.23Å; Y459-V463 PolarHBondContact O-N 3.48Å
460L85.1Confident81.1Confident96 Ų9681.9 Ų81.950%0.50342%0.417SS..Hα-helixtrans-63.2-39.1175.9-73.1173.5000111.7I456 L457 D458 F464I456-L460 HydrophobicContact CG2-CD1 3.98Å; I456-L460 HydrophobicContact CG2-CG 4.37Å; I456-L460 WeakPolarHBondContact O-CB 3.39Å; I456-L460 VanDerWaalsContact O-CG 3.25Å; I456-L460 WeakPolarHBondContact O-CG 3.46Å; I456-L460 PolarHBondContact O-N 3.32Å; L457-L460 PolarHBondContact O-N 3.43Å; D458-L460 PolarHBondContact O-N 2.88Å; L460-F464 VanDerWaalsContact O-CB 3.24Å; L460-F464 WeakPolarHBondContact O-CB 3.32Å; L460-F464 PolarHBondContact O-N 3.37Å
461C84.8Confident79.8Confident83 Ų8383.2 Ų83.256%0.56142%0.415SS*.Hα-helixtrans-65.2-43.3174.8-76.90000111.9L457 D458 Y459 F464 R465L457-C461 WeakPolarHBondContact O-CB 3.43Å; L457-C461 PolarHBondContact O-N 2.88Å; L457-C461 PolarHBondContact O-SG 2.82Å; L457-C461 VanDerWaalsContact O-SG 3.34Å; D458-C461 WeakPolarHBondContact O-CB 3.31Å; D458-C461 PolarHBondContact O-N 2.89Å; D458-C461 VanDerWaalsContact O-N 3.15Å; Y459-C461 VanDerWaalsContact C-N 3.32Å; Y459-C461 PolarHBondContact O-N 2.91Å; C461-F464 PolarHBondContact O-N 3.27Å; C461-R465 WeakPolarHBondContact O-CB 3.5Å; C461-R465 PolarHBondContact O-N 3.13Å
462E85.5Confident78.4Confident60 Ų6084.3 Ų84.328%0.2842%0.415SS..Hα-helixtrans-62-47.1174.4-72-165.3145.800111.8D458 Y459 F464 R465 D466D458-E462 WeakPolarHBondContact O-CG 3.2Å; D458-E462 PolarHBondContact O-N 3.04Å; Y459-E462 PolarHBondContact O-N 3.37Å; E462-F464 VanDerWaalsContact C-N 3.32Å; E462-F464 PolarHBondContact O-N 3.46Å; E462-R465 WeakPolarHBondContact O-CB 3.18Å; E462-R465 PolarHBondContact O-N 2.86Å; E462-D466 WeakPolarHBondContact O-CB 3.38Å; E462-D466 PolarHBondContact O-N 3.49Å
463V83.1Confident76.9Confident27 Ų2792.4 Ų92.416%0.16445%0.445CS..Hα-helixtrans-62.4-40.2176.8171.30000111.3Y459 D466 K467Y459-V463 HydrophobicContact CD1-CG2 4.31Å; Y459-V463 HydrophobicContact CD2-CG2 4.25Å; Y459-V463 HydrophobicContact CE1-CG2 3.88Å; Y459-V463 HydrophobicContact CE2-CG2 3.82Å; Y459-V463 HydrophobicContact CG-CG2 4.49Å; Y459-V463 WeakPolarHBondContact O-CB 3.4Å; Y459-V463 VanDerWaalsContact O-CG2 3.27Å; Y459-V463 WeakPolarHBondContact O-CG2 3.23Å; Y459-V463 PolarHBondContact O-N 3.48Å; V463-D466 PolarHBondContact O-N 3.14Å; V463-K467 HydrophobicContact CG1-CD 4.18Å; V463-K467 HydrophobicContact CG1-CG 4.46Å; V463-K467 VanDerWaalsContact O-CB 3.32Å; V463-K467 WeakPolarHBondContact O-CB 3.44Å; V463-K467 WeakPolarHBondContact O-CG 3.39Å; V463-K467 PolarHBondContact O-N 3.05Å
464F81.6Confident75.4Confident136 Ų13694.5 Ų94.560%0.59646%0.457SS*.Hα-helixtrans-64.9-44.7175.7-176.3-93.9000111.2L460 C461 E462 D466 K467 V468L460-F464 VanDerWaalsContact O-CB 3.24Å; L460-F464 WeakPolarHBondContact O-CB 3.32Å; L460-F464 PolarHBondContact O-N 3.37Å; C461-F464 PolarHBondContact O-N 3.27Å; E462-F464 VanDerWaalsContact C-N 3.32Å; E462-F464 PolarHBondContact O-N 3.46Å; F464-D466 PolarHBondContact O-N 3.43Å; F464-K467 PolarHBondContact O-N 3.18Å; F464-V468 HydrophobicContact CD1-CG2 4.28Å; F464-V468 HydrophobicContact CD2-CG2 3.78Å; F464-V468 HydrophobicContact CE1-CB 4.26Å; F464-V468 HydrophobicContact CE1-CG1 4.47Å; F464-V468 HydrophobicContact CE1-CG2 4.07Å; F464-V468 HydrophobicContact CE2-CG2 3.56Å; F464-V468 HydrophobicContact CG-CG2 4.15Å; F464-V468 HydrophobicContact CZ-CB 4.3Å; F464-V468 HydrophobicContact CZ-CG1 4.38Å; F464-V468 HydrophobicContact CZ-CG2 3.71Å; F464-V468 VanDerWaalsContact O-CB 3.23Å; F464-V468 WeakPolarHBondContact O-CB 3.28Å; F464-V468 WeakPolarHBondContact O-CG2 3.38Å; F464-V468 PolarHBondContact O-N 3.23Å
465R80.8Confident73.8Confident139 Ų13998.1 Ų98.153%0.52546%0.464SS..Iπ-helixtrans-57.6-49.4174.8-164.2-176.169.3-164.4-5110.4C461 E462 L469 G470C461-R465 WeakPolarHBondContact O-CB 3.5Å; C461-R465 PolarHBondContact O-N 3.13Å; E462-R465 WeakPolarHBondContact O-CB 3.18Å; E462-R465 PolarHBondContact O-N 2.86Å; R465-L469 HydrophobicContact CB-CD1 4.43Å; R465-L469 HydrophobicContact CG-CD1 3.5Å; R465-L469 VanDerWaalsContact CG-CD1 3.5Å; R465-L469 WeakPolarHBondContact O-CA 3.48Å; R465-L469 WeakPolarHBondContact O-CB 3.22Å; R465-L469 PolarHBondContact O-N 2.96Å; R465-G470 PolarHBondContact O-N 3.08Å
466D76.4Confident72.1Confident68 Ų68101.4 Ų101.436%0.36448%0.48SS..Iπ-helixtrans-67.7-39.2-177.9-74.70.3000112.6E462 V463 F464 G470E462-D466 WeakPolarHBondContact O-CB 3.38Å; E462-D466 PolarHBondContact O-N 3.49Å; V463-D466 PolarHBondContact O-N 3.14Å; F464-D466 PolarHBondContact O-N 3.43Å; D466-G470 WeakPolarHBondContact O-CA 3.49Å; D466-G470 PolarHBondContact O-N 3.48Å; D466-G470 VanDerWaalsContact O-N 3.15Å
467K72.4Confident70.4Confident157 Ų157103.1 Ų103.168%0.68349%0.486SS*.Iπ-helixtrans-80.3-33.5179.7-76.1-170.3176.6177.70114.1V463 F464 Y471V463-K467 HydrophobicContact CG1-CD 4.18Å; V463-K467 HydrophobicContact CG1-CG 4.46Å; V463-K467 VanDerWaalsContact O-CB 3.32Å; V463-K467 WeakPolarHBondContact O-CB 3.44Å; V463-K467 WeakPolarHBondContact O-CG 3.39Å; V463-K467 PolarHBondContact O-N 3.05Å; F464-K467 PolarHBondContact O-N 3.18Å; K467-Y471 WeakPolarHBondContact O-CB 3.41Å
468V67.8Low68.4Low55 Ų55103.2 Ų103.233%0.33349%0.494SS..Iπ-helixtrans-90.5-53.1-178.4179.80000110.8F464 Y471 F472F464-V468 HydrophobicContact CD1-CG2 4.28Å; F464-V468 HydrophobicContact CD2-CG2 3.78Å; F464-V468 HydrophobicContact CE1-CB 4.26Å; F464-V468 HydrophobicContact CE1-CG1 4.47Å; F464-V468 HydrophobicContact CE1-CG2 4.07Å; F464-V468 HydrophobicContact CE2-CG2 3.56Å; F464-V468 HydrophobicContact CG-CG2 4.15Å; F464-V468 HydrophobicContact CZ-CB 4.3Å; F464-V468 HydrophobicContact CZ-CG1 4.38Å; F464-V468 HydrophobicContact CZ-CG2 3.71Å; F464-V468 VanDerWaalsContact O-CB 3.23Å; F464-V468 WeakPolarHBondContact O-CB 3.28Å; F464-V468 WeakPolarHBondContact O-CG2 3.38Å; F464-V468 PolarHBondContact O-N 3.23Å; V468-Y471 PolarHBondContact O-N 3.39Å; V468-F472 WeakPolarHBondContact O-CD2 3.43Å; V468-F472 PolarHBondContact O-N 2.91Å
469L61Low66.5Low107 Ų107106.4 Ų106.456%0.5651%0.506SS*.Iπ-helixtrans-73.7-32.8177.8-71.6148.9000112.1R465 Y471 F472 W473R465-L469 HydrophobicContact CB-CD1 4.43Å; R465-L469 HydrophobicContact CG-CD1 3.5Å; R465-L469 VanDerWaalsContact CG-CD1 3.5Å; R465-L469 WeakPolarHBondContact O-CA 3.48Å; R465-L469 WeakPolarHBondContact O-CB 3.22Å; R465-L469 PolarHBondContact O-N 2.96Å; L469-Y471 VanDerWaalsContact C-N 3.33Å; L469-Y471 PolarHBondContact O-N 3.26Å; L469-F472 PolarHBondContact O-N 3.25Å; L469-W473 WeakPolarHBondContact O-CB 3.34Å; L469-W473 PolarHBondContact O-N 3.35Å
470G59.6Low64.6Low26 Ų26114.6 Ų114.627%0.26854%0.537SS..Hα-helixtrans-67.2-31.3172.500000113.5R465 D466 N474R465-G470 PolarHBondContact O-N 3.08Å; D466-G470 WeakPolarHBondContact O-CA 3.49Å; D466-G470 PolarHBondContact O-N 3.48Å; D466-G470 VanDerWaalsContact O-N 3.15Å; G470-N474 WeakPolarHBondContact O-CB 3.16Å; G470-N474 PolarHBondContact O-N 3.33Å
471Y58.6Low62.6Low154 Ų154118.2 Ų118.260%0.60455%0.551SS**Hα-helixtrans-69.7-39.2172.5-170.4-92.8000111.9K467 V468 L469 R475K467-Y471 WeakPolarHBondContact O-CB 3.41Å; V468-Y471 PolarHBondContact O-N 3.39Å; L469-Y471 VanDerWaalsContact C-N 3.33Å; L469-Y471 PolarHBondContact O-N 3.26Å; Y471-R475 PolarHBondContact O-N 3.43Å; Y471-R475 VanDerWaalsContact O-N 3.17Å
472F56.9Low60.4Low138 Ų138119.6 Ų119.661%0.60556%0.561SS**Hα-helixtrans-65.9-41.2172.8-91-83.7000112.5V468 L469 R475 Q476V468-F472 WeakPolarHBondContact O-CD2 3.43Å; V468-F472 PolarHBondContact O-N 2.91Å; L469-F472 PolarHBondContact O-N 3.25Å; F472-R475 PolarHBondContact O-N 2.9Å; F472-Q476 PolarHBondContact O-N 3.15Å
473W55.6Low58.3Low171 Ų171121 Ų12165%0.64858%0.578SS**Hα-helixtrans-69.1-37.8178.6-149.8-70.8000112.7L469 R475 Q476 H477L469-W473 WeakPolarHBondContact O-CB 3.34Å; L469-W473 PolarHBondContact O-N 3.35Å; W473-R475 VanDerWaalsContact C-N 3.33Å; W473-R475 PolarHBondContact O-N 2.97Å; W473-Q476 PolarHBondContact O-N 3.42Å; W473-H477 AromaticContact CD1-CD2 3.89Å; W473-H477 PolarHBondContact O-N 2.79Å; W473-H477 VanDerWaalsContact O-N 3.08Å
474N54.8Low56.3Low119 Ų119126 Ų12664%0.63661%0.608SS**Hα-helixtrans-68.8-28.9174.7-86.1-15.5000113.2G470 S478G470-N474 WeakPolarHBondContact O-CB 3.16Å; G470-N474 PolarHBondContact O-N 3.33Å; N474-S478 PolarHBondContact O-N 3.21Å; N474-S478 VanDerWaalsContact O-N 3.11Å
475R52.9Low53.9Low173 Ų173127.4 Ų127.465%0.65362%0.622SS**Hα-helixtrans-68-37171.7-119.9-179.1173.9-174.4-1.7112.1Y471 F472 W473Y471-R475 PolarHBondContact O-N 3.43Å; Y471-R475 VanDerWaalsContact O-N 3.17Å; F472-R475 PolarHBondContact O-N 2.9Å; W473-R475 VanDerWaalsContact C-N 3.33Å; W473-R475 PolarHBondContact O-N 2.97Å
476Q51.4Low51.6Low141 Ų141129.4 Ų129.466%0.65964%0.642SS**Hα-helixtrans-73.6-30.4178.2-152.1174.62.300112.6F472 W473F472-Q476 PolarHBondContact O-N 3.15Å; W473-Q476 PolarHBondContact O-N 3.42Å
477H50.1Low49.4Very low95 Ų95132.4 Ų132.444%0.4466%0.663SS.*Hα-helixtrans-78.3-29.9174-100.6-47.5000114.5W473 Q479 R480W473-H477 AromaticContact CD1-CD2 3.89Å; W473-H477 PolarHBondContact O-N 2.79Å; W473-H477 VanDerWaalsContact O-N 3.08Å; H477-Q479 VanDerWaalsContact C-N 3.34Å; H477-Q479 PolarHBondContact O-N 3.46Å; H477-R480 PolarHBondContact O-N 3.11Å
478S46.5Very low47.2Very low92 Ų92130.9 Ų130.964%0.64367%0.672SS**Hα-helixtrans-68-30.2177.6-166.30000113.1N474 R480N474-S478 PolarHBondContact O-N 3.21Å; N474-S478 VanDerWaalsContact O-N 3.11Å; S478-R480 VanDerWaalsContact C-N 3.31Å; S478-R480 PolarHBondContact O-N 3.17Å
479Q46.5Very low45.2Very low168 Ų168137 Ų13779%0.78570%0.697SS**THydrogen-bonded Turntrans-72.2-18.4173-83-166.5-10.600114.4H477H477-Q479 VanDerWaalsContact C-N 3.34Å; H477-Q479 PolarHBondContact O-N 3.46Å
480R44.9Very low44.3Very low202 Ų202137 Ų13776%0.76270%0.703SS**THydrogen-bonded Turntrans-87.5-12.9-178.6-102.9177.9174172.5-2114.8H477 S478H477-R480 PolarHBondContact O-N 3.11Å; S478-R480 VanDerWaalsContact C-N 3.31Å; S478-R480 PolarHBondContact O-N 3.17Å
481H44.3Very low42.7Very low172 Ų172140.7 Ų140.780%0.79673%0.725SS**SBendtrans-99.92.3-177.5-91.2-74000115.5
482S38Very low41.2Very low112 Ų112140.7 Ų140.778%0.78374%0.735SS**SBendtrans-97.11.9178.7-170.40000114.9
483S41.7Very low39.7Very low89 Ų89139.4 Ų139.462%0.62274%0.742SS**SBendtrans-133.481.2-179.129.60000110.6
484T40.2Very low38.1Very low131 Ų131142.1 Ų142.180%0.80475%0.752SS**  trans179.282.3149.524.60000109.5
485N30.5Very low36.8Very low167 Ų167144.4 Ų144.489%0.89376%0.758SS**  trans-145.390.2157.3-91.4-33.2000107.3
486L33.3Very low35.6Very low180 Ų180143.8 Ų143.894%0.94276%0.763SS**  trans-146.4133.6157.3-143.879.2000109.8
487T31Very low34.4Very low132 Ų132142.7 Ų142.781%0.8176%0.761SS**  trans-82148.5-164.538.10000114.3
488S25.3Very low33.3Very low124 Ų124142.9 Ų142.987%0.86777%0.774SS**  trans-171135.9133.247.70000111.9
489H26.9Very low32.3Very low184 Ų184145.1 Ų145.185%0.85278%0.777SS**  trans-108.9177.5170-96.3-62.1000108
490P42.2Very low31.3Very low106 Ų106147.7 Ų147.769%0.68878%0.78SS**  cis-136.7173.3-34.335-16.9000113.4
491S25.2Very low30.4Very low105 Ų105145.6 Ų145.673%0.73478%0.783SS**  trans134.2141.213370.50000117.9
492L26.9Very low30Very low153 Ų153142.3 Ų142.380%0.80178%0.777SS**  trans85.5101.1154.9-79.5133.5000122
493C24.8Very low30.4Very low112 Ų112141.4 Ų141.476%0.75777%0.769SS**  69.6116.6118.8-840000122.7
494R23.5Very low29.7Very low227 Ų227145.1 Ų145.186%0.85778%0.776SS**  96.3124.1120.6-145.3173.9-165.7178.62.9118.3
495H26.5Very low29.1Very low168 Ų168146.9 Ų146.978%0.77878%0.779SS**  trans7.4138153.6-76.3-78.6000118.3
496Q27.1Very low29Very low160 Ų160146.5 Ų146.575%0.74878%0.777SS**  176.4132.686.8-163.6146.73.800112.7
497D26.4Very low29.1Very low117 Ų117143.6 Ų143.663%0.62677%0.769SS**  trans52.3127.8141.8-63.3-15.1000124.3
498S26.7Very low28.9Very low100 Ų100142.6 Ų142.670%0.69977%0.766SS**  108127114.7-84.60000122.2
499L27Very low28.9Very low138 Ų138145.2 Ų145.272%0.72376%0.764SS**  trans96.9108.1134.1-71.1157.9000121.9
500R24.4Very low28.9Very low222 Ų222143.7 Ų143.784%0.83877%0.767SS**  57114.6125.2-72.8-179.7-171.8-178.30.2122
501L25.7Very low28Very low159 Ų159142.7 Ų142.783%0.83277%0.769SS**  13.7164.8123.2-89107.5000120.5
502P36.3Very low28.1Very low102 Ų102144.8 Ų144.866%0.66277%0.771SS**  cis-137.8-131.4-4336.6-12.3000110.8
503P47.3Very low27.9Very low94 Ų94145.3 Ų145.361%0.6177%0.774SS**  -119.4-168.9-86.130.5-6.7000114.7
504H26.1Very low27.9Very low166 Ų166147.3 Ų147.377%0.76978%0.776SS**  trans98.1118.9160.1-59.3-73.7000118.9
505L27.9Very low27.9Very low168 Ų168144.3 Ų144.388%0.8878%0.777SS**  164.1123.3109.5-88.6156.2000111
506L29.6Very low27.8Very low160 Ų160141 Ų14184%0.83877%0.772SS**  trans-71.8157.1155.3-85.2156.1000108.9
507P34.9Very low27.6Very low119 Ų119140.3 Ų140.377%0.77378%0.779SS**  -151.1154.797.134.9-15.3000117.9
508C25.4Very low27.5Very low111 Ų111139.5 Ų139.575%0.7578%0.782SS**  trans34.8126.1140.5-72.50000125.1
509H25.7Very low27.3Very low179 Ų179140 Ų14083%0.82979%0.786SS**  trans33.9134.6130.1-65.9-72.2000123.2
510T26.6Very low27.3Very low151 Ų151142.8 Ų142.893%0.92680%0.795SS**  trans-154.7150.4131.225.10000111.8
511A25.1Very low27.5Very low86 Ų86137.6 Ų137.671%0.71179%0.79SS**  trans-95.2165.8-171.200000113.8
512L25.8Very low27.5Very low149 Ų149141.4 Ų141.478%0.7879%0.793SS**  trans39.4121.7148.1-78.2152.7000119.5
513D23.4Very low27.3Very low164 Ų164142.1 Ų142.188%0.87780%0.798SS**  -161.9140.9112.7-104.8-24.8000113.7
514L24.6Very low26.2Very low153 Ų153145.1 Ų145.180%0.80181%0.809SS**  trans-75.3138.1168.5-90.9129.3000109.6
515L23.8Very low26.4Very low165 Ų165145.2 Ų145.286%0.86481%0.814SS**  trans-151135.4145-102.9169.3000111.3
516S23.3Very low26.5Very low97 Ų97145 Ų14568%0.67881%0.813SS**  trans-48.6143176.651.10000116.8
517V24.6Very low26.3Very low147 Ų147145 Ų14589%0.89181%0.813SS**  trans-139.5125144176.20000109.7
518S22.7Very low26Very low99 Ų99148.1 Ų148.169%0.69282%0.82SS**  trans-78.4168173.348.10000113.3
519S24.1Very low26.2Very low111 Ų111147.6 Ų147.678%0.77682%0.815SS**  trans79.2109.6156.669.90000119.3
520E25.3Very low26.4Very low197 Ų197144.6 Ų144.692%0.92181%0.814SS**  trans-146.7156.4138.5-99-164.1138.700110.6
521P29.5Very low26.4Very low113 Ų113145 Ų14573%0.73481%0.81SS**PPolyproline II helixtrans-103.1160.9-153.434.2-23.2000115
522R26.6Very low26.6Very low238 Ų238149.7 Ų149.790%0.89882%0.817SS**PPolyproline II helixtrans-63.5145.8167.6-75177.8-179.9173.8-0.4111.4
523P30.9Very low26.8Very low117 Ų117147.9 Ų147.976%0.7681%0.812SS**PPolyproline II helixtrans-98.7137.1155.731-19.4000111.5
524D25.1Very low27Very low158 Ų158144.6 Ų144.685%0.84581%0.807SS**PPolyproline II helixtrans-60.9138.6174.8-62.3-55.7000112.6
525I30Very low27.4Very low168 Ų168146.3 Ų146.386%0.86281%0.808SS**PPolyproline II helixtrans-102.1120.2169.2-68.4175.9000107.7
526L28.5Very low27.8Very low164 Ų164144.1 Ų144.186%0.85980%0.804SS**PPolyproline II helixtrans-67.3138175.5-87.8106.1000112.6
527D25.8Very low28.3Very low160 Ų160145.4 Ų145.486%0.85681%0.813SS**PPolyproline II helixtrans-59.4140.8161.6-78.7-47.9000112.8
528M28.5Very low28.7Very low184 Ų184144 Ų14491%0.90681%0.809SS**  trans-149.3150.7153.5-108.9-120.514400111.4
529P31.4Very low29.5Very low99 Ų99144.5 Ų144.564%0.64381%0.81SS**  trans-95.5158.1-145.636.9-35.4000115.1
530S28.1Very low30Very low117 Ų117148.1 Ų148.182%0.81882%0.815SS**  trans-55.8125.2173.5-36.40000113.2
531L27.1Very low30.6Very low160 Ų160146.2 Ų146.284%0.83881%0.809SS**  trans-105.7108.3164.9-114.7123.2000109.5
532H29.4Very low30.8Very low184 Ų184150 Ų15085%0.85282%0.815SS**  trans-65.9125.5164.2-85.9-78.2000109.8
533V29.4Very low31.6Very low111 Ų111147.9 Ų147.967%0.67384%0.836SS**  trans-114.3114.5162.6176.60000107.6
534A29.3Very low31.6Very low94 Ų94149.4 Ų149.478%0.77784%0.84SS**PPolyproline II helixtrans-75.1128.1171.300000109.6
535F32.7Very low31.9Very low189 Ų189148.9 Ų148.983%0.82984%0.839SS**PPolyproline II helixtrans-92.1133.4167.9-82.1-83.6000109.9
536P32.3Very low32.1Very low120 Ų120147.9 Ų147.978%0.77984%0.838SS**PPolyproline II helixtrans-77.7146.2174.830.3-29.9000111.5
537S33.7Very low32.3Very low123 Ų123146.9 Ų146.986%0.8684%0.837SS**PPolyproline II helixtrans-58.6136.117438.40000112.9
538S31.8Very low32.7Very low117 Ų117146.1 Ų146.182%0.81884%0.836SS**PPolyproline II helixtrans-99.6150.6166.7-134.80000110.7
539P40.6Very low32.9Very low110 Ų110143.6 Ų143.671%0.71483%0.831SS**PPolyproline II helixtrans-87.7157.2-160.235.1-34.1000113.6
540Q33.3Very low33.1Very low187 Ų187146.8 Ų146.887%0.87485%0.845SS**PPolyproline II helixtrans-61.9135.8171.5-66.3-146.4-11.200112.6
541I39Very low33.4Very low157 Ų157149.1 Ų149.181%0.80585%0.847SS**  trans-104.7117.4162.1-64.8175.9000107.3
542K33.8Very low34Very low194 Ų194148.2 Ų148.284%0.84385%0.847SS**  trans-72.6128.9163.8-78.4175.6173.4177.90109
543S42.3Very low34.4Very low192 Ų192144.9 Ų144.9100%1.34385%0.847SS**  trans-159.90146.6-67.70000107.6

Retrieved 543 of 543 residues in 121.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).