A0A3Q0KFS0_SCHMA Loading...

Elongator complex protein 2

AlphaFold DB , UniProt , Accession A0A3Q0KFS0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 958 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
1M38.5Very low48Very low144 Ų14490.5 Ų90.571%0.70948%0.48SS*.  0-45.90-72.6-169.3-154.300111S3 A4 N5 K208M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 2.82Å; M1-A4 PolarHBondContact O-N 3.31Å; M1-N5 WeakPolarHBondContact O-CB 3.12Å; M1-N5 PolarHBondContact O-N 2.94Å; M1-K208 HydrophobicContact CE-CD 3.59Å; M1-K208 HydrophobicContact CE-CG 4.43Å; M1-K208 HydrophobicContact SD-CD 4.21Å; M1-K208 PolarHBondContact SD-NZ 3.21Å
2D38Very low49.5Very low124 Ų12487.4 Ų87.466%0.66346%0.463SS*.Hα-helixtrans-59.8-33.2-179.9-65.8-9.7000115.3K6D2-K6 WeakPolarHBondContact O-CB 3.5Å; D2-K6 WeakPolarHBondContact O-CG 3.49Å; D2-K6 PolarHBondContact O-N 2.86Å
3S39.5Very low51.2Low89 Ų8986.3 Ų86.362%0.62247%0.467SS*.Hα-helixtrans-70-46.4175.354.90000112.5M1 K6 E7M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 2.82Å; S3-K6 PolarHBondContact O-N 3.34Å; S3-E7 PolarHBondContact O-N 3.3Å
4A40.7Very low53.5Low39 Ų3984.6 Ų84.632%0.32245%0.453SS..Hα-helixtrans-66.3-40.1178.100000112.2M1 E7 K8M1-A4 PolarHBondContact O-N 3.31Å; A4-E7 PolarHBondContact O-N 3.27Å; A4-K8 PolarHBondContact O-N 2.71Å
5N41.5Very low55.8Low59 Ų5979.1 Ų79.132%0.31642%0.423SS..Hα-helixtrans-66.1-40.6173.5-84-1000111.5M1 K8 I9M1-N5 WeakPolarHBondContact O-CB 3.12Å; M1-N5 PolarHBondContact O-N 2.94Å; N5-K8 PolarHBondContact O-N 2.71Å; N5-I9 WeakPolarHBondContact O-CB 3.06Å; N5-I9 WeakPolarHBondContact O-CD1 3.49Å; N5-I9 WeakPolarHBondContact O-CG1 3.08Å; N5-I9 PolarHBondContact O-N 3.34Å
6K48.2Very low57.6Low155 Ų15579.2 Ų79.267%0.67442%0.416SS*.Hα-helixtrans-62.1-42.6173.1-81.2175.8-179.3-179.80111.8D2 S3 I9 S10D2-K6 WeakPolarHBondContact O-CB 3.5Å; D2-K6 WeakPolarHBondContact O-CG 3.49Å; D2-K6 PolarHBondContact O-N 2.86Å; S3-K6 PolarHBondContact O-N 3.34Å; K6-I9 PolarHBondContact O-N 3.18Å; K6-S10 WeakPolarHBondContact O-CB 3.44Å; K6-S10 PolarHBondContact O-N 3.36Å
7E49.8Very low59.4Low140 Ų14076.1 Ų76.165%0.65440%0.402SS*.Hα-helixtrans-62-44.7175.6-83.6-175.916700111.8S3 A4 S10 L11S3-E7 PolarHBondContact O-N 3.3Å; A4-E7 PolarHBondContact O-N 3.27Å; E7-S10 CarbonylContact O-C 3.57Å; E7-S10 WeakPolarHBondContact O-CA 3.3Å; E7-S10 WeakPolarHBondContact O-CB 3.32Å; E7-S10 PolarHBondContact O-N 3.13Å; E7-S10 PolarHBondContact O-OG 3.26Å; E7-L11 WeakPolarHBondContact O-CB 3.35Å; E7-L11 PolarHBondContact O-N 3.38Å
8K47.2Very low61Low48 Ų4872.7 Ų72.721%0.20939%0.385CS..Hα-helixtrans-67.4-39.4176.8-90.3-172.9172.4-176.40114.1A4 N5 S10 L11 N12 T145 E146A4-K8 PolarHBondContact O-N 2.71Å; N5-K8 PolarHBondContact O-N 2.71Å; K8-S10 PolarHBondContact O-N 2.96Å; K8-L11 WeakPolarHBondContact O-CA 3.39Å; K8-L11 WeakPolarHBondContact O-CB 3.43Å; K8-L11 PolarHBondContact O-N 2.95Å; K8-N12 PolarHBondContact O-N 2.86Å; K8-T145 PolarHBondContact NZ-OG1 2.97Å; K8-E146 VanDerWaalsContact CE-OE1 3.28Å; K8-E146 WeakPolarHBondContact CE-OE1 3.14Å; K8-E146 IonicContact NZ-OE1 3.53Å; K8-E146 PolarHBondContact NZ-OE1 2.84Å
9I52.2Low62.6Low121 Ų12170.2 Ų70.262%0.62137%0.37SS*.Hα-helixtrans-62.2-39.2172.1-66.6163.9000109.5N5 K6 L11 S13N5-I9 WeakPolarHBondContact O-CB 3.06Å; N5-I9 WeakPolarHBondContact O-CD1 3.49Å; N5-I9 WeakPolarHBondContact O-CG1 3.08Å; N5-I9 PolarHBondContact O-N 3.34Å; K6-I9 PolarHBondContact O-N 3.18Å; I9-L11 VanDerWaalsContact C-N 3.3Å; I9-L11 PolarHBondContact O-N 2.77Å; I9-S13 PolarHBondContact O-N 3.24Å
10S63.4Low64.2Low48 Ų4867.3 Ų67.334%0.33636%0.355SS..Hα-helixtrans-68.2-29.3171.895.40000112.8K6 E7 K8 S13 K14K6-S10 WeakPolarHBondContact O-CB 3.44Å; K6-S10 PolarHBondContact O-N 3.36Å; E7-S10 CarbonylContact O-C 3.57Å; E7-S10 WeakPolarHBondContact O-CA 3.3Å; E7-S10 WeakPolarHBondContact O-CB 3.32Å; E7-S10 PolarHBondContact O-N 3.13Å; E7-S10 PolarHBondContact O-OG 3.26Å; K8-S10 PolarHBondContact O-N 2.96Å; S10-S13 PolarHBondContact O-OG 3.05Å; S10-K14 VanDerWaalsContact O-CG 3.28Å; S10-K14 WeakPolarHBondContact O-CG 3.32Å; S10-K14 PolarHBondContact O-N 3.44Å
11L68.6Low65.7Low29 Ų2964 Ų6415%0.15234%0.338CS..Hα-helixtrans-72.2-45.6178.9-159.679.2000110.1E7 K8 I9 S13 K14 I15 L905 W911E7-L11 WeakPolarHBondContact O-CB 3.35Å; E7-L11 PolarHBondContact O-N 3.38Å; K8-L11 WeakPolarHBondContact O-CA 3.39Å; K8-L11 WeakPolarHBondContact O-CB 3.43Å; K8-L11 PolarHBondContact O-N 2.95Å; I9-L11 VanDerWaalsContact C-N 3.3Å; I9-L11 PolarHBondContact O-N 2.77Å; L11-S13 PolarHBondContact O-N 3.45Å; L11-K14 CarbonylContact O-C 3.6Å; L11-K14 WeakPolarHBondContact O-CA 3.49Å; L11-K14 WeakPolarHBondContact O-CB 3.42Å; L11-K14 PolarHBondContact O-N 2.9Å; L11-I15 PolarHBondContact O-N 2.95Å; L11-L905 HydrophobicContact CD1-CD1 3.55Å; L11-L905 HydrophobicContact CD1-CD2 3.89Å; L11-L905 HydrophobicContact CD1-CG 4.31Å; L11-L905 HydrophobicContact CD2-CD1 4.04Å; L11-L905 HydrophobicContact CD2-CD2 4.16Å; L11-L905 HydrophobicContact CG-CD1 4.43Å; L11-L905 HydrophobicContact CG-CD2 4.37Å; L11-W911 HydrophobicContact CD2-CH2 4.17Å; L11-W911 HydrophobicContact CD2-CZ3 3.93Å
12N66.9Low68.4Low53 Ų5357.2 Ų57.228%0.28330%0.304SS..Hα-helixtrans-60.6-27.4177.2-83.1-19.9000113K8 I15 W911K8-N12 PolarHBondContact O-N 2.86Å; N12-I15 WeakPolarHBondContact CA-O 3.13Å; N12-W911 WeakPolarHBondContact OD1-CH2 3.49Å; N12-W911 VanDerWaalsContact OD1-CZ2 3.29Å; N12-W911 WeakPolarHBondContact OD1-CZ2 3.42Å
13S71.3Confident71Confident73 Ų7351.5 Ų51.551%0.5127%0.274SS..Hα-helixtrans-78.1-24.617368.40000113.1I9 S10 L11 L957I9-S13 PolarHBondContact O-N 3.24Å; S10-S13 PolarHBondContact O-OG 3.05Å; L11-S13 PolarHBondContact O-N 3.45Å; S13-L957 WeakPolarHBondContact O-CD1 3.21Å
14K83Confident73.7Confident63 Ų6347.3 Ų47.327%0.27425%0.245SC..Hα-helixtrans-88.2-45.8176.8-69.5176.6-172.3-145.20113.1S10 L11 N954 L957 L958S10-K14 VanDerWaalsContact O-CG 3.28Å; S10-K14 WeakPolarHBondContact O-CG 3.32Å; S10-K14 PolarHBondContact O-N 3.44Å; L11-K14 CarbonylContact O-C 3.6Å; L11-K14 WeakPolarHBondContact O-CA 3.49Å; L11-K14 WeakPolarHBondContact O-CB 3.42Å; L11-K14 PolarHBondContact O-N 2.9Å; K14-N954 PolarHBondContact O-N 3.48Å; K14-L957 WeakPolarHBondContact CD-O 3.08Å; K14-L957 WeakPolarHBondContact CE-O 3.31Å; K14-L957 HydrophobicContact CG-CB 3.77Å; K14-L957 PolarHBondContact NZ-O 3.43Å; K14-L958 HydrophobicContact CB-CD2 4.4Å; K14-L958 HydrophobicContact CB-CG 4.21Å; K14-L958 HydrophobicContact CD-CD2 4.29Å; K14-L958 HydrophobicContact CD-CG 4.45Å
15I87.7Confident76.2Confident1 Ų146.1 Ų46.11%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-138.4129.8-173.4-62.7172.9000107.8L11 N12 L886 L905 F907 W911 F951 K952 I953 L958L11-I15 PolarHBondContact O-N 2.95Å; N12-I15 WeakPolarHBondContact CA-O 3.13Å; I15-L886 HydrophobicContact CD1-CD2 4.05Å; I15-L905 HydrophobicContact CD1-CD2 3.52Å; I15-F907 HydrophobicContact CD1-CZ 4.3Å; I15-F907 HydrophobicContact CG2-CE1 4Å; I15-F907 HydrophobicContact CG2-CZ 4.1Å; I15-W911 HydrophobicContact CB-CZ3 4.2Å; I15-W911 HydrophobicContact CG2-CE3 4.39Å; I15-W911 HydrophobicContact CG2-CZ3 3.77Å; I15-W911 WeakPolarHBondContact O-CH2 3.22Å; I15-F951 HydrophobicContact CG2-CB 4.35Å; I15-F951 HydrophobicContact CG2-CD1 4.35Å; I15-K952 CarbonylContact C-O 3.44Å; I15-K952 VanDerWaalsContact CA-O 3.31Å; I15-K952 WeakPolarHBondContact CA-O 3.46Å; I15-I953 HydrophobicContact CG1-CB 4.46Å; I15-I953 HydrophobicContact CG1-CG1 4.17Å; I15-I953 HydrophobicContact CG1-CG2 4.16Å; I15-I953 HydrophobicContact CG2-CG1 4.29Å; I15-L958 HydrophobicContact CD1-CD1 3.99Å; I15-L958 HydrophobicContact CD1-CD2 3.92Å; I15-L958 HydrophobicContact CG1-CD1 3.97Å; I15-L958 HydrophobicContact CG1-CD2 4.42Å
16R85.6Confident78.6Confident81 Ų8146.8 Ų46.831%0.30623%0.234SC..EExtended strand (participates in β ladder)trans-133.2131.3176.6-175179.2-177.1169.66.1109.9V18 Q534 F951 K952R16-V18 HydrophobicContact CB-CG1 4.44Å; R16-V18 HydrophobicContact CG-CG1 4.25Å; R16-V18 PolarHBondContact O-N 3.19Å; R16-Q534 VanDerWaalsContact NH2-CG 3.31Å; R16-F951 CarbonylContact O-C 3.59Å; R16-F951 VanDerWaalsContact O-CA 3.3Å; R16-F951 WeakPolarHBondContact O-CA 3.18Å; R16-K952 PolarHBondContact N-O 3.08Å; R16-K952 PolarHBondContact O-N 2.91Å
17C88.2Confident80.7Confident27 Ų2740.6 Ų40.618%0.18221%0.207CC..EExtended strand (participates in β ladder)trans-71111.7164.4-166.10000108.5T20 F951C17-T20 PolarHBondContact SG-OG1 2.57Å; C17-T20 VanDerWaalsContact SG-OG1 3.39Å; C17-F951 HydrophobicContact CB-CD1 3.8Å; C17-F951 HydrophobicContact CB-CE1 3.67Å
18V87.4Confident82.5Confident14 Ų1436 Ų369%0.08519%0.191CC..EExtended strand (participates in β ladder)trans-98.6-19.7-176.4-68.10000112.7R16 Y938 I950 K952R16-V18 HydrophobicContact CB-CG1 4.44Å; R16-V18 HydrophobicContact CG-CG1 4.25Å; R16-V18 PolarHBondContact O-N 3.19Å; V18-Y938 HydrophobicContact CG2-CD1 4.41Å; V18-Y938 HydrophobicContact CG2-CE1 4.36Å; V18-I950 HydrophobicContact CG2-CB 4.21Å; V18-I950 HydrophobicContact CG2-CG2 3.96Å; V18-I950 VanDerWaalsContact CG2-O 3.29Å; V18-I950 WeakPolarHBondContact CG2-O 3.25Å; V18-I950 PolarHBondContact N-O 3.43Å; V18-K952 HydrophobicContact CG1-CB 3.63Å; V18-K952 HydrophobicContact CG1-CD 4.36Å; V18-K952 HydrophobicContact CG2-CB 4.35Å
19Y91.4Very high84.6Confident25 Ų2534.9 Ų34.910%0.09819%0.193CC..EExtended strand (participates in β ladder)trans-149.4140.6179.2-173.3-131.4000111.4H519 W537 R949 I950Y19-H519 HydrophobicContact CE1-CB 3.82Å; Y19-H519 AromaticContact CE1-CG 3.71Å; Y19-H519 AromaticContact CE1-ND1 3.46Å; Y19-H519 WeakPolarHBondContact CE1-ND1 3.43Å; Y19-H519 AromaticContact CZ-ND1 3.64Å; Y19-H519 PolarHBondContact OH-ND1 3Å; Y19-W537 HydrophobicContact CD1-CB 3.95Å; Y19-W537 HydrophobicContact CD1-CG 4.43Å; Y19-W537 HydrophobicContact CD2-CB 3.3Å; Y19-W537 HydrophobicContact CD2-CG 4.36Å; Y19-W537 HydrophobicContact CE1-CB 4.48Å; Y19-W537 HydrophobicContact CE2-CB 3.93Å; Y19-W537 HydrophobicContact CG-CB 3.3Å; Y19-W537 AromaticContact CG-CG 3.93Å; Y19-W537 HydrophobicContact CG-CG 3.93Å; Y19-R949 WeakPolarHBondContact O-CA 3.21Å; Y19-I950 HydrophobicContact CD1-CD1 3.74Å; Y19-I950 HydrophobicContact CD1-CG1 4.06Å; Y19-I950 PolarHBondContact N-O 3.22Å; Y19-I950 PolarHBondContact O-N 2.9Å
20T94.2Very high86.6Confident12 Ų1229.1 Ų29.17%0.07416%0.164CC..EExtended strand (participates in β ladder)trans-141.2108.2172.4-69.50000107.3C17 V22 V83 I947 V948 R949C17-T20 PolarHBondContact SG-OG1 2.57Å; C17-T20 VanDerWaalsContact SG-OG1 3.39Å; T20-V22 HydrophobicContact CG2-CG1 3.64Å; T20-V83 HydrophobicContact CG2-CB 4.2Å; T20-V83 HydrophobicContact CG2-CG1 3.81Å; T20-I947 HydrophobicContact CG2-CG2 4.09Å; T20-V948 WeakPolarHBondContact CA-O 3.45Å; T20-R949 PolarHBondContact OG1-NH1 3.31Å; T20-R949 VanDerWaalsContact OG1-NH1 3.15Å
21S95.4Very high88.1Confident0 Ų027 Ų270%015%0.148CC..EExtended strand (participates in β ladder)trans-94.1125.9174.7165.50000108.4T479 G480 H519 V948S21-T479 PolarHBondContact OG-O 3.34Å; S21-G480 WeakPolarHBondContact OG-CA 3.43Å; S21-H519 PolarHBondContact OG-CE1 3.13Å; S21-V948 PolarHBondContact N-O 3.17Å; S21-V948 PolarHBondContact O-N 3.12Å
22V95.3Very high89.4Confident1 Ų125.7 Ų25.71%0.00614%0.142CC..  trans-147141.3-173.7-64.30000110.3T20 F50 V83 T479 G480 I947T20-V22 HydrophobicContact CG2-CG1 3.64Å; V22-F50 HydrophobicContact CG2-CE2 3.75Å; V22-F50 HydrophobicContact CG2-CZ 3.56Å; V22-V83 HydrophobicContact CG2-CG2 3.61Å; V22-T479 PolarHBondContact N-O 2.9Å; V22-T479 CarbonylContact O-C 3.57Å; V22-G480 VanDerWaalsContact C-CA 3.49Å; V22-G480 PolarHBondContact O-N 3.46Å; V22-I947 HydrophobicContact CG1-CB 4.32Å; V22-I947 HydrophobicContact CG1-CD1 4.14Å; V22-I947 HydrophobicContact CG1-CG1 3.92Å; V22-I947 HydrophobicContact CG1-CG2 3.85Å
23G93.8Very high90.6Very high3 Ų324.4 Ų24.43%0.03114%0.135CC..PPolyproline II helixtrans-94.9134.1168.100000110.8S52 G459G23-S52 WeakPolarHBondContact O-CB 3.37Å; G23-S52 PolarHBondContact O-OG 3.26Å; G23-S52 VanDerWaalsContact O-OG 3.13Å; G23-G459 VanDerWaalsContact CA-O 3.29Å; G23-G459 WeakPolarHBondContact CA-O 3.4Å
24I95.2Very high91.6Very high1 Ų121.3 Ų21.31%0.00511%0.113CC..PPolyproline II helixtrans-68.1143.7170.3-174.7173.7000110.4C30 F50 G51 H455 G459 I461I24-C30 HydrophobicContact CD1-CB 4.17Å; I24-C30 HydrophobicContact CG1-CB 4.2Å; I24-F50 HydrophobicContact CB-CD2 3.75Å; I24-F50 HydrophobicContact CB-CE2 4.2Å; I24-F50 HydrophobicContact CB-CG 4.36Å; I24-F50 HydrophobicContact CD1-CB 3.49Å; I24-F50 VanDerWaalsContact CD1-CB 3.49Å; I24-F50 HydrophobicContact CD1-CD2 4.21Å; I24-F50 HydrophobicContact CD1-CG 4.02Å; I24-F50 HydrophobicContact CG1-CB 3.9Å; I24-F50 HydrophobicContact CG1-CD2 3.78Å; I24-F50 HydrophobicContact CG1-CG 4.11Å; I24-G51 WeakPolarHBondContact CA-O 3.47Å; I24-H455 HydrophobicContact CD1-CB 4.16Å; I24-H455 HydrophobicContact CG2-CB 3.73Å; I24-G459 PolarHBondContact N-O 3.37Å; I24-G459 VanDerWaalsContact O-CA 3.23Å; I24-G459 WeakPolarHBondContact O-CA 3.22Å; I24-I461 HydrophobicContact CG2-CG1 4.2Å
25N94.9Very high91.8Very high15 Ų1518.3 Ų18.38%0.0810%0.1CC..PPolyproline II helixtrans-64.2147.4175.1-64.1-24.4000111F27 G51 S53 V94N25-F27 HydrophobicContact CB-CD2 3.67Å; N25-F27 HydrophobicContact CB-CE2 3.83Å; N25-F27 PolarHBondContact O-N 2.79Å; N25-G51 PolarHBondContact N-O 2.85Å; N25-S53 PolarHBondContact ND2-N 2.83Å; N25-S53 PolarHBondContact ND2-O 2.78Å; N25-S53 PolarHBondContact OD1-N 2.77Å; N25-V94 PolarHBondContact ND2-N 3.36Å; N25-V94 PolarHBondContact ND2-O 2.82Å
26H91Very high91.7Very high73 Ų7318.3 Ų18.334%0.33810%0.099SC..SBendtrans-79.351-172.556.3-87.1000113.3M440 F457H26-M440 WeakPolarHBondContact O-CE 3.37Å; H26-F457 HydrophobicContact CB-CD2 3.92Å; H26-F457 HydrophobicContact CB-CE2 3.92Å; H26-F457 HydrophobicContact CB-CG 4.45Å; H26-F457 HydrophobicContact CB-CZ 4.46Å
27F92.4Very high91.5Very high24 Ų2419 Ų1911%0.10510%0.102CC..  trans-124.5141.3176.8-48-62.7000110.2N25 C30 D93 R95 H455N25-F27 HydrophobicContact CB-CD2 3.67Å; N25-F27 HydrophobicContact CB-CE2 3.83Å; N25-F27 PolarHBondContact O-N 2.79Å; F27-C30 HydrophobicContact CB-CB 4.16Å; F27-C30 VanDerWaalsContact O-CB 3.23Å; F27-C30 WeakPolarHBondContact O-CB 3.17Å; F27-C30 PolarHBondContact O-N 3.36Å; F27-D93 HydrophobicContact CE2-CB 4.4Å; F27-R95 HydrophobicContact CB-CG 4.1Å; F27-R95 WeakPolarHBondContact CB-O 3.39Å; F27-R95 HydrophobicContact CD1-CG 4.08Å; F27-R95 HydrophobicContact CD2-CB 4.06Å; F27-R95 HydrophobicContact CD2-CG 3.9Å; F27-R95 HydrophobicContact CE2-CB 4.28Å; F27-R95 HydrophobicContact CE2-CG 4.29Å; F27-R95 HydrophobicContact CG-CB 4.4Å; F27-R95 HydrophobicContact CG-CG 3.75Å; F27-H455 PolarHBondContact O-NE2 3.36Å
28S87.8Confident90.7Very high44 Ų4418.2 Ų18.231%0.30810%0.097SC..G310 helixtrans-63.5-46.3-177.151.90000111.8C30 M440 D441S28-C30 PolarHBondContact O-N 3.14Å; S28-M440 WeakPolarHBondContact CA-O 3.41Å; S28-M440 VanDerWaalsContact CB-O 3.22Å; S28-M440 WeakPolarHBondContact CB-O 3.35Å; S28-D441 WeakPolarHBondContact O-CB 3.2Å; S28-D441 VanDerWaalsContact O-OD2 3.09Å
29G90.4Very high89.8Confident25 Ų2522.4 Ų22.426%0.25813%0.127SC..G310 helixtrans-74.38.117900000116.1S31 C96 V97G29-S31 VanDerWaalsContact C-N 3.28Å; G29-S31 PolarHBondContact O-N 2.82Å; G29-C96 CarbonylContact O-C 3.59Å; G29-C96 WeakPolarHBondContact O-CA 3.4Å; G29-V97 PolarHBondContact O-N 3.06Å
30C94.5Very high88.5Confident0 Ų027.5 Ų27.50%016%0.156CC..G310 helixtrans-78.1-6.5-169.2-156.50000114.5I24 F27 S28 F50 G51 V94I24-C30 HydrophobicContact CD1-CB 4.17Å; I24-C30 HydrophobicContact CG1-CB 4.2Å; F27-C30 HydrophobicContact CB-CB 4.16Å; F27-C30 VanDerWaalsContact O-CB 3.23Å; F27-C30 WeakPolarHBondContact O-CB 3.17Å; F27-C30 PolarHBondContact O-N 3.36Å; S28-C30 PolarHBondContact O-N 3.14Å; C30-F50 CarbonylContact O-C 3.48Å; C30-F50 WeakPolarHBondContact O-CA 3.3Å; C30-F50 WeakPolarHBondContact O-CB 3.25Å; C30-G51 PolarHBondContact O-N 2.99Å; C30-G51 VanDerWaalsContact O-N 3.11Å; C30-G51 VanDerWaalsContact SG-CA 3.5Å; C30-G51 PolarHBondContact SG-N 3.43Å; C30-G51 VanDerWaalsContact SG-N 3.41Å; C30-V94 PolarHBondContact SG-O 3.48Å; C30-V94 VanDerWaalsContact SG-O 3.33Å
31S95.5Very high87.1Confident2 Ų232 Ų321%0.01418%0.175CC..EExtended strand (participates in β ladder)trans-126.2144.6-177.555.50000112.4G29 A49 H443 H455G29-S31 VanDerWaalsContact C-N 3.28Å; G29-S31 PolarHBondContact O-N 2.82Å; S31-A49 WeakPolarHBondContact CA-O 3.32Å; S31-H443 PolarHBondContact O-CE1 3.19Å; S31-H443 VanDerWaalsContact O-CE1 3.31Å; S31-H443 PolarHBondContact O-NE2 3.32Å; S31-H443 PolarHBondContact OG-NE2 2.85Å; S31-H443 VanDerWaalsContact OG-NE2 3.14Å; S31-H455 PolarHBondContact OG-CE1 2.76Å; S31-H455 PolarHBondContact OG-ND1 2.75Å
32S95.1Very high85.7Confident3 Ų337.4 Ų37.42%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-149.3138.9172.7-165.50000110.4A49 V97 W99S32-A49 PolarHBondContact N-O 3.37Å; S32-A49 PolarHBondContact O-N 3.24Å; S32-V97 WeakPolarHBondContact CB-O 3.5Å; S32-W99 PolarHBondContact O-NE1 2.83Å; S32-W99 VanDerWaalsContact O-NE1 3.16Å; S32-W99 PolarHBondContact OG-N 3.2Å
33I93.5Very high84.6Confident26 Ų2640.6 Ų40.613%0.13323%0.231CC..EExtended strand (participates in β ladder)trans-117.6149-179.2-169.4162.7000111.1T46 I47 L48 F81 H443 F445 P446 F453I33-T46 HydrophobicContact CD1-CG2 3.5Å; I33-T46 HydrophobicContact CG1-CG2 3.67Å; I33-I47 WeakPolarHBondContact CA-O 3.48Å; I33-L48 HydrophobicContact CG1-CB 4.39Å; I33-F81 HydrophobicContact CD1-CZ 3.89Å; I33-H443 HydrophobicContact CG2-CB 4.15Å; I33-F445 HydrophobicContact CD1-CD1 4.29Å; I33-F445 HydrophobicContact CD1-CD2 4.47Å; I33-F445 HydrophobicContact CD1-CG 4.27Å; I33-P446 HydrophobicContact CG1-CG 4.33Å; I33-F453 HydrophobicContact CB-CE1 3.99Å; I33-F453 HydrophobicContact CB-CZ 4.44Å; I33-F453 HydrophobicContact CD1-CD1 4.05Å; I33-F453 HydrophobicContact CD1-CE1 3.54Å; I33-F453 HydrophobicContact CG1-CE1 4.36Å; I33-F453 HydrophobicContact CG2-CE1 4.16Å
34I90.5Very high83.9Confident8 Ų842.2 Ų42.24%0.04124%0.241CC..EExtended strand (participates in β ladder)trans-143141.5175.8-166.6172.2000110.2V36 I47 W99 Y113I34-V36 HydrophobicContact CB-CG2 4.46Å; I34-V36 HydrophobicContact CD1-CG2 4.29Å; I34-V36 HydrophobicContact CG1-CG2 4.08Å; I34-V36 HydrophobicContact CG2-CG2 3.76Å; I34-I47 HydrophobicContact CG2-CB 4.13Å; I34-I47 PolarHBondContact N-O 3.03Å; I34-I47 PolarHBondContact O-N 3.32Å; I34-W99 HydrophobicContact CB-CB 4.28Å; I34-W99 HydrophobicContact CB-CD2 4.18Å; I34-W99 HydrophobicContact CB-CG 3.84Å; I34-W99 HydrophobicContact CD1-CB 4.23Å; I34-W99 HydrophobicContact CD1-CD2 4.41Å; I34-W99 HydrophobicContact CD1-CE3 4.45Å; I34-W99 HydrophobicContact CD1-CG 4.34Å; I34-W99 HydrophobicContact CG2-CD2 3.7Å; I34-W99 HydrophobicContact CG2-CE3 4.31Å; I34-W99 HydrophobicContact CG2-CG 3.9Å; I34-W99 HydrophobicContact CG2-CZ2 4.02Å; I34-Y113 HydrophobicContact CD1-CD1 4.2Å; I34-Y113 HydrophobicContact CD1-CD2 3.81Å; I34-Y113 HydrophobicContact CD1-CE2 4.47Å; I34-Y113 HydrophobicContact CD1-CG 3.64Å; I34-Y113 HydrophobicContact CG1-CG 4.41Å
35A88.1Confident83.4Confident0 Ų044.6 Ų44.60%025%0.252CS..EExtended strand (participates in β ladder)trans-96.4131.3165.100000108.7V44 E45 V112 Y113 P446 N447A35-V44 HydrophobicContact CB-CG1 3.85Å; A35-E45 WeakPolarHBondContact CA-O 2.94Å; A35-V112 HydrophobicContact CB-CG2 4.18Å; A35-Y113 VanDerWaalsContact O-CB 3.3Å; A35-Y113 WeakPolarHBondContact O-CB 3.21Å; A35-Y113 PolarHBondContact O-N 3.11Å; A35-P446 HydrophobicContact CB-CB 3.73Å; A35-P446 HydrophobicContact CB-CG 3.58Å; A35-N447 WeakPolarHBondContact CB-OD1 3.35Å
36V85.8Confident83Confident0 Ų044.2 Ų44.20%025%0.25CS..EExtended strand (participates in β ladder)trans-127.9136-175.9-164.80000109.5I34 E45 I47 T136 L139 I140I34-V36 HydrophobicContact CB-CG2 4.46Å; I34-V36 HydrophobicContact CD1-CG2 4.29Å; I34-V36 HydrophobicContact CG1-CG2 4.08Å; I34-V36 HydrophobicContact CG2-CG2 3.76Å; V36-E45 PolarHBondContact N-O 3.49Å; V36-E45 PolarHBondContact O-N 3.42Å; V36-I47 HydrophobicContact CG2-CD1 4.48Å; V36-T136 HydrophobicContact CG1-CG2 3.2Å; V36-L139 HydrophobicContact CG2-CD2 4.21Å; V36-I140 HydrophobicContact CG1-CD1 4.28Å
37R81.6Confident83Confident95 Ų9540.7 Ų40.736%0.35823%0.234SC..EExtended strand (participates in β ladder)trans-119.5133174.9-178.4-180-77.2162.3-0.1109.7V44 V112 Y113R37-V44 HydrophobicContact CB-CG2 4.35Å; R37-V44 VanDerWaalsContact NH2-CG2 3.32Å; R37-V112 HydrophobicContact CB-CG1 3.45Å; R37-V112 VanDerWaalsContact CB-CG1 3.45Å; R37-Y113 PolarHBondContact N-O 3.18Å
38S71.9Confident83.1Confident12 Ų1239.6 Ų39.68%0.08423%0.229CC..  trans-77.2143.5170.2172.30000109.6N40 K41S38-N40 PolarHBondContact O-N 3.47Å; S38-N40 PolarHBondContact OG-N 3.46Å; S38-N40 VanDerWaalsContact OG-N 3.15Å; S38-K41 PolarHBondContact O-N 3.13Å
39S67Low83.5Confident101 Ų10137.5 Ų37.571%0.70621%0.214SC*.THydrogen-bonded Turntrans-53.7-31.1168.749.30000113E137S39-E137 PolarHBondContact OG-OE1 3.42Å
40N65.6Low83.8Confident133 Ų13336.3 Ų36.371%0.71120%0.202SC*.THydrogen-bonded Turntrans-101.5-12-172.1-66.7-30.3000113.9S38 E137S38-N40 PolarHBondContact O-N 3.47Å; S38-N40 PolarHBondContact OG-N 3.46Å; S38-N40 VanDerWaalsContact OG-N 3.15Å; N40-E137 PolarHBondContact ND2-OE1 2.92Å
41K63Low83.9Confident107 Ų10736.3 Ų36.347%0.46520%0.202SC..  trans-124.2133.6179.9-68.4-178.7175.4175.20110.7S38 T43S38-K41 PolarHBondContact O-N 3.13Å; K41-T43 PolarHBondContact O-N 3.42Å
42S67.8Low83.9Confident112 Ų11236.3 Ų36.378%0.78320%0.202SC*.SBendtrans-67.5-16.8173.953.90000113.3V44S42-V44 PolarHBondContact O-N 3.08Å
43T71.9Confident83.9Confident68 Ų6836.7 Ų36.742%0.41721%0.205SC..PPolyproline II helixtrans-73.7124.6-177.355.40000111.1K41K41-T43 PolarHBondContact O-N 3.42Å
44V78.7Confident84Confident38 Ų3836.4 Ų36.423%0.2320%0.203CC..EExtended strand (participates in β ladder)trans-89.6126.3169.4-173.80000107.8A35 R37 S42 V112 N447A35-V44 HydrophobicContact CB-CG1 3.85Å; R37-V44 HydrophobicContact CB-CG2 4.35Å; R37-V44 VanDerWaalsContact NH2-CG2 3.32Å; S42-V44 PolarHBondContact O-N 3.08Å; V44-V112 HydrophobicContact CG1-CG1 4.14Å; V44-V112 HydrophobicContact CG1-CG2 4.04Å; V44-V112 HydrophobicContact CG2-CG1 4.44Å; V44-V112 HydrophobicContact CG2-CG2 4.4Å; V44-N447 WeakPolarHBondContact CG1-ND2 3.28Å
45E83.5Confident84.3Confident50 Ų5036 Ų3623%0.23420%0.201CC..EExtended strand (participates in β ladder)trans-101.8138.3175.1-70-68.4159.300109.4A35 V36 I140A35-E45 WeakPolarHBondContact CA-O 2.94Å; V36-E45 PolarHBondContact N-O 3.49Å; V36-E45 PolarHBondContact O-N 3.42Å; E45-I140 HydrophobicContact CB-CG1 4.43Å; E45-I140 HydrophobicContact CG-CG1 4.29Å; E45-I140 HydrophobicContact CG-CG2 4.07Å
46T87.6Confident84.7Confident7 Ų736 Ų364%0.04320%0.201CC..EExtended strand (participates in β ladder)trans-104.2126.1173.8-58.20000109.8I33 S61 F445 P446 N447I33-T46 HydrophobicContact CD1-CG2 3.5Å; I33-T46 HydrophobicContact CG1-CG2 3.67Å; T46-S61 PolarHBondContact O-N 3.4Å; T46-F445 HydrophobicContact CG2-CD1 3.81Å; T46-F445 HydrophobicContact CG2-CE1 4.21Å; T46-P446 HydrophobicContact CG2-CG 4.35Å; T46-N447 PolarHBondContact OG1-ND2 3.26Å
47I91.4Very high85.1Confident0 Ų036 Ų360%020%0.201CC..EExtended strand (participates in β ladder)trans-125.1121.1-172.4-55.6-175.8000109.3I33 I34 V36 T59 K60 W99 L139I33-I47 WeakPolarHBondContact CA-O 3.48Å; I34-I47 HydrophobicContact CG2-CB 4.13Å; I34-I47 PolarHBondContact N-O 3.03Å; I34-I47 PolarHBondContact O-N 3.32Å; V36-I47 HydrophobicContact CG2-CD1 4.48Å; I47-T59 VanDerWaalsContact CA-O 3.31Å; I47-T59 WeakPolarHBondContact CA-O 3.05Å; I47-K60 HydrophobicContact CG1-CG 4.14Å; I47-W99 HydrophobicContact CG2-CZ2 3.97Å; I47-L139 HydrophobicContact CD1-CB 4.47Å; I47-L139 HydrophobicContact CD1-CD1 4.3Å; I47-L139 HydrophobicContact CD1-CD2 3.51Å; I47-L139 HydrophobicContact CD1-CG 3.43Å; I47-L139 VanDerWaalsContact CD1-CG 3.43Å
48L94.2Very high85.7Confident0 Ų031.5 Ų31.50%018%0.184CC..EExtended strand (participates in β ladder)trans-106.4126.7176157.269.8000108.7I33 F50 T59 F81 F453 I461I33-L48 HydrophobicContact CG1-CB 4.39Å; L48-F50 HydrophobicContact CD2-CD1 4.41Å; L48-F50 HydrophobicContact CG-CD1 4.17Å; L48-T59 WeakPolarHBondContact CB-OG1 3.41Å; L48-T59 WeakPolarHBondContact CG-OG1 3.19Å; L48-T59 PolarHBondContact N-O 3.18Å; L48-T59 PolarHBondContact O-N 2.88Å; L48-T59 PolarHBondContact O-OG1 2.85Å; L48-F81 HydrophobicContact CB-CD1 4.15Å; L48-F81 HydrophobicContact CB-CE1 3.64Å; L48-F81 HydrophobicContact CB-CZ 3.84Å; L48-F81 HydrophobicContact CD2-CD1 4.25Å; L48-F81 HydrophobicContact CD2-CD2 3.87Å; L48-F81 HydrophobicContact CD2-CE1 4.19Å; L48-F81 HydrophobicContact CD2-CE2 3.76Å; L48-F81 HydrophobicContact CD2-CG 4.11Å; L48-F81 HydrophobicContact CD2-CZ 3.94Å; L48-F453 HydrophobicContact CD1-CE1 4.18Å; L48-F453 HydrophobicContact CD1-CE2 4.06Å; L48-F453 HydrophobicContact CD1-CZ 3.51Å; L48-F453 HydrophobicContact CD2-CE1 4.45Å; L48-F453 HydrophobicContact CD2-CE2 4.25Å; L48-F453 HydrophobicContact CD2-CZ 4.16Å; L48-F453 HydrophobicContact CG-CZ 4.41Å; L48-I461 HydrophobicContact CD2-CD1 3.89Å; L48-I461 HydrophobicContact CD2-CG2 4.44Å
49A96Very high86.7Confident0 Ų031 Ų310%018%0.18CC..EExtended strand (participates in β ladder)trans-108.7135.6173.200000109.7S31 S32 I56 C57 L58 V97 W99 L120S31-A49 WeakPolarHBondContact CA-O 3.32Å; S32-A49 PolarHBondContact N-O 3.37Å; S32-A49 PolarHBondContact O-N 3.24Å; A49-I56 HydrophobicContact CB-CG2 4.39Å; A49-C57 WeakPolarHBondContact CA-O 3.16Å; A49-L58 HydrophobicContact CB-CD2 3.67Å; A49-V97 HydrophobicContact CB-CG1 3.85Å; A49-W99 HydrophobicContact CB-CZ2 3.82Å; A49-L120 HydrophobicContact CB-CD1 4Å; A49-L120 HydrophobicContact CB-CD2 4.3Å
50F97.1Very high87.5Confident1 Ų126.4 Ų26.40%0.00415%0.147CC..EExtended strand (participates in β ladder)trans-150161174.264-93.6000113.5V22 I24 C30 L48 I56 C57 T59 V83 I461 L478V22-F50 HydrophobicContact CG2-CE2 3.75Å; V22-F50 HydrophobicContact CG2-CZ 3.56Å; I24-F50 HydrophobicContact CB-CD2 3.75Å; I24-F50 HydrophobicContact CB-CE2 4.2Å; I24-F50 HydrophobicContact CB-CG 4.36Å; I24-F50 HydrophobicContact CD1-CB 3.49Å; I24-F50 VanDerWaalsContact CD1-CB 3.49Å; I24-F50 HydrophobicContact CD1-CD2 4.21Å; I24-F50 HydrophobicContact CD1-CG 4.02Å; I24-F50 HydrophobicContact CG1-CB 3.9Å; I24-F50 HydrophobicContact CG1-CD2 3.78Å; I24-F50 HydrophobicContact CG1-CG 4.11Å; C30-F50 CarbonylContact O-C 3.48Å; C30-F50 WeakPolarHBondContact O-CA 3.3Å; C30-F50 WeakPolarHBondContact O-CB 3.25Å; L48-F50 HydrophobicContact CD2-CD1 4.41Å; L48-F50 HydrophobicContact CG-CD1 4.17Å; F50-I56 CarbonylContact O-C 3.57Å; F50-I56 WeakPolarHBondContact O-CA 2.76Å; F50-C57 HydrophobicContact CD1-CB 4.34Å; F50-C57 HydrophobicContact CD2-CB 4.02Å; F50-C57 HydrophobicContact CE1-CB 3.92Å; F50-C57 HydrophobicContact CE2-CB 3.56Å; F50-C57 HydrophobicContact CG-CB 4.39Å; F50-C57 HydrophobicContact CZ-CB 3.49Å; F50-C57 VanDerWaalsContact CZ-CB 3.49Å; F50-C57 PolarHBondContact N-O 2.99Å; F50-C57 PolarHBondContact O-N 2.92Å; F50-T59 HydrophobicContact CD1-CG2 4.43Å; F50-T59 HydrophobicContact CE1-CG2 3.54Å; F50-T59 HydrophobicContact CZ-CG2 4.32Å; F50-V83 HydrophobicContact CZ-CG2 4.14Å; F50-I461 HydrophobicContact CD1-CD1 3.92Å; F50-I461 HydrophobicContact CE1-CD1 3.94Å; F50-I461 HydrophobicContact CG-CD1 4.38Å; F50-I461 HydrophobicContact CZ-CD1 4.45Å; F50-L478 HydrophobicContact CE1-CD2 3.56Å; F50-L478 HydrophobicContact CZ-CD2 3.53Å
51G96.7Very high88Confident0 Ų021 Ų210%012%0.12CC..EExtended strand (participates in β ladder)trans-84.7132.7174.800000113.3I24 N25 C30 F55I24-G51 WeakPolarHBondContact CA-O 3.47Å; N25-G51 PolarHBondContact N-O 2.85Å; C30-G51 PolarHBondContact O-N 2.99Å; C30-G51 VanDerWaalsContact O-N 3.11Å; C30-G51 VanDerWaalsContact SG-CA 3.5Å; C30-G51 PolarHBondContact SG-N 3.43Å; C30-G51 VanDerWaalsContact SG-N 3.41Å; G51-F55 CarbonylContact C-O 3.47Å; G51-F55 WeakPolarHBondContact CA-O 2.99Å
52S95.6Very high88.1Confident2 Ų219.1 Ų19.11%0.01411%0.11CC..EExtended strand (participates in β ladder)trans-134.3112.9171.6172.50000108.9G23 H54 F55 C57G23-S52 WeakPolarHBondContact O-CB 3.37Å; G23-S52 PolarHBondContact O-OG 3.26Å; G23-S52 VanDerWaalsContact O-OG 3.13Å; S52-H54 PolarHBondContact O-N 2.99Å; S52-F55 PolarHBondContact N-O 3.41Å; S52-F55 PolarHBondContact O-N 2.79Å; S52-C57 VanDerWaalsContact CB-SG 3.6Å
53S95.1Very high87.6Confident10 Ų1017.2 Ų17.27%0.0710%0.097CC..THydrogen-bonded Turntrans45.4-121.1-162.4-173.40000109.8N25 D93 V94N25-S53 PolarHBondContact ND2-N 2.83Å; N25-S53 PolarHBondContact ND2-O 2.78Å; N25-S53 PolarHBondContact OD1-N 2.77Å; S53-D93 WeakPolarHBondContact CA-OD1 3.45Å; S53-D93 WeakPolarHBondContact O-CA 3.41Å; S53-D93 PolarHBondContact OG-OD1 2.83Å; S53-V94 PolarHBondContact O-N 3.39Å
54H95.5Very high86.7Confident20 Ų2016.3 Ų16.39%0.0939%0.086CC..THydrogen-bonded Turntrans-94.44.5-179.5-42.9176.1000113.6S52 H90 N91 S92 D93 V914 K917S52-H54 PolarHBondContact O-N 2.99Å; H54-H90 HydrophobicContact CB-CB 4.34Å; H54-H90 WeakPolarHBondContact O-CB 3.22Å; H54-N91 PolarHBondContact CE1-O 2.9Å; H54-N91 VanDerWaalsContact ND1-C 3.34Å; H54-N91 PolarHBondContact ND1-O 3.29Å; H54-S92 WeakPolarHBondContact CA-O 3.47Å; H54-S92 WeakPolarHBondContact CB-O 3.36Å; H54-S92 PolarHBondContact CD2-O 2.83Å; H54-D93 PolarHBondContact CD2-N 3.49Å; H54-D93 IonicContact CD2-OD1 3.6Å; H54-D93 PolarHBondContact CD2-OD1 2.94Å; H54-D93 VanDerWaalsContact CD2-OD1 3.28Å; H54-D93 IonicContact NE2-OD1 3.8Å; H54-V914 HydrophobicContact CB-CG1 3.62Å; H54-V914 HydrophobicContact CB-CG2 4.46Å; H54-V914 WeakPolarHBondContact ND1-CG1 3.4Å; H54-K917 WeakPolarHBondContact CE1-CE 3.47Å; H54-K917 WeakPolarHBondContact NE2-CE 3.24Å; H54-K917 PolarHBondContact NE2-NZ 3.43Å
55F95.6Very high85.1Confident1 Ų122.6 Ų22.60%0.00412%0.118CC..EExtended strand (participates in β ladder)trans-97.4154.3177.4-75.1-26.2000112.3G51 S52 P88 V914 I947G51-F55 CarbonylContact C-O 3.47Å; G51-F55 WeakPolarHBondContact CA-O 2.99Å; S52-F55 PolarHBondContact N-O 3.41Å; S52-F55 PolarHBondContact O-N 2.79Å; F55-P88 HydrophobicContact CD1-CB 4.19Å; F55-P88 HydrophobicContact CE1-CB 3.56Å; F55-P88 HydrophobicContact CZ-CB 4.44Å; F55-V914 HydrophobicContact CD1-CG2 3.96Å; F55-V914 HydrophobicContact CD2-CG2 3.47Å; F55-V914 VanDerWaalsContact CD2-CG2 3.47Å; F55-V914 HydrophobicContact CE1-CB 4.41Å; F55-V914 HydrophobicContact CE1-CG2 4Å; F55-V914 HydrophobicContact CE2-CB 4.26Å; F55-V914 HydrophobicContact CE2-CG2 3.54Å; F55-V914 HydrophobicContact CG-CG2 3.71Å; F55-V914 HydrophobicContact CZ-CB 4.2Å; F55-V914 HydrophobicContact CZ-CG2 3.85Å; F55-I947 HydrophobicContact CD2-CD1 3.57Å; F55-I947 HydrophobicContact CE2-CD1 4.06Å
56I96.2Very high83.3Confident0 Ų023.7 Ų23.70%013%0.125CC..EExtended strand (participates in β ladder)trans-97.3121.6159.4-55.5171.1000107.3A49 F50 L58 T86 L87 L120 S122 W132A49-I56 HydrophobicContact CB-CG2 4.39Å; F50-I56 CarbonylContact O-C 3.57Å; F50-I56 WeakPolarHBondContact O-CA 2.76Å; I56-L58 HydrophobicContact CG2-CD2 4.43Å; I56-T86 CarbonylContact O-C 3.5Å; I56-T86 VanDerWaalsContact O-CA 3.32Å; I56-T86 WeakPolarHBondContact O-CA 3.4Å; I56-L87 HydrophobicContact CB-CB 4.18Å; I56-L87 HydrophobicContact CB-CD1 4.39Å; I56-L87 HydrophobicContact CG2-CD1 4.42Å; I56-L87 PolarHBondContact N-O 3.48Å; I56-L87 PolarHBondContact O-N 2.93Å; I56-L120 HydrophobicContact CD1-CD2 4.08Å; I56-L120 HydrophobicContact CG2-CD2 3.89Å; I56-S122 WeakPolarHBondContact CD1-OG 3.4Å; I56-W132 HydrophobicContact CD1-CD2 4.35Å; I56-W132 VanDerWaalsContact CD1-CE2 3.44Å; I56-W132 HydrophobicContact CD1-CZ2 3.59Å
57C95.4Very high81.1Confident0 Ų023.9 Ų23.90%013%0.126CC..EExtended strand (participates in β ladder)trans-95.1133.4174.4-650000109.6A49 F50 S52 V83A49-C57 WeakPolarHBondContact CA-O 3.16Å; F50-C57 HydrophobicContact CD1-CB 4.34Å; F50-C57 HydrophobicContact CD2-CB 4.02Å; F50-C57 HydrophobicContact CE1-CB 3.92Å; F50-C57 HydrophobicContact CE2-CB 3.56Å; F50-C57 HydrophobicContact CG-CB 4.39Å; F50-C57 HydrophobicContact CZ-CB 3.49Å; F50-C57 VanDerWaalsContact CZ-CB 3.49Å; F50-C57 PolarHBondContact N-O 2.99Å; F50-C57 PolarHBondContact O-N 2.92Å; S52-C57 VanDerWaalsContact CB-SG 3.6Å; C57-V83 HydrophobicContact CB-CG1 4.31Å; C57-V83 HydrophobicContact CB-CG2 4.45Å
58L94.5Very high78.7Confident0 Ų031.8 Ų31.80%016%0.16CC..EExtended strand (participates in β ladder)trans-108.3132.5173.5-59.2176000109.5A49 I56 V83 Y84 Q85 L87 W99 L139 W148A49-L58 HydrophobicContact CB-CD2 3.67Å; I56-L58 HydrophobicContact CG2-CD2 4.43Å; L58-V83 WeakPolarHBondContact O-CA 3.39Å; L58-Y84 HydrophobicContact CB-CD1 4.36Å; L58-Y84 HydrophobicContact CB-CE1 3.59Å; L58-Y84 HydrophobicContact CB-CE2 4.45Å; L58-Y84 VanDerWaalsContact O-CD1 3.26Å; L58-Y84 WeakPolarHBondContact O-CD1 3.42Å; L58-Y84 PolarHBondContact O-N 2.93Å; L58-Q85 HydrophobicContact CB-CB 4.42Å; L58-Q85 HydrophobicContact CD1-CB 4.4Å; L58-Q85 PolarHBondContact N-O 3.19Å; L58-L87 HydrophobicContact CD1-CD1 4.22Å; L58-L87 HydrophobicContact CD1-CD2 4.43Å; L58-L87 HydrophobicContact CD1-CG 4.34Å; L58-W99 HydrophobicContact CD2-CH2 4.38Å; L58-W99 HydrophobicContact CD2-CZ2 4.08Å; L58-L139 HydrophobicContact CD1-CD1 4.45Å; L58-W148 HydrophobicContact CD1-CH2 4.47Å; L58-W148 HydrophobicContact CD1-CZ2 3.41Å; L58-W148 VanDerWaalsContact CD1-CZ2 3.41Å; L58-W148 HydrophobicContact CD2-CZ2 4.37Å
59T92Very high76.2Confident0 Ų038.3 Ų38.30%019%0.192CC..EExtended strand (participates in β ladder)trans-124.6148.1-179.759.30000112.1I47 L48 F50 F81 R82 V83 L478I47-T59 VanDerWaalsContact CA-O 3.31Å; I47-T59 WeakPolarHBondContact CA-O 3.05Å; L48-T59 WeakPolarHBondContact CB-OG1 3.41Å; L48-T59 WeakPolarHBondContact CG-OG1 3.19Å; L48-T59 PolarHBondContact N-O 3.18Å; L48-T59 PolarHBondContact O-N 2.88Å; L48-T59 PolarHBondContact O-OG1 2.85Å; F50-T59 HydrophobicContact CD1-CG2 4.43Å; F50-T59 HydrophobicContact CE1-CG2 3.54Å; F50-T59 HydrophobicContact CZ-CG2 4.32Å; T59-F81 WeakPolarHBondContact OG1-CD1 3.32Å; T59-R82 WeakPolarHBondContact CA-O 3.44Å; T59-R82 WeakPolarHBondContact CB-O 3.33Å; T59-V83 HydrophobicContact CG2-CB 4.31Å; T59-V83 HydrophobicContact CG2-CG2 3.62Å; T59-L478 HydrophobicContact CG2-CD2 3.92Å
60K85Confident73.7Confident6 Ų640.2 Ų40.23%0.02620%0.202CC..EExtended strand (participates in β ladder)trans-119.9146.6171.2-82.2175.3-177.6174.40110.5I47 Y62 F81 R82 Y84 L139 I140I47-K60 HydrophobicContact CG1-CG 4.14Å; K60-Y62 HydrophobicContact CB-CD2 4.36Å; K60-Y62 HydrophobicContact CB-CE2 4.05Å; K60-F81 WeakPolarHBondContact O-CA 3.23Å; K60-R82 PolarHBondContact N-O 2.89Å; K60-R82 VanDerWaalsContact N-O 3.11Å; K60-R82 PolarHBondContact O-N 2.77Å; K60-Y84 HydrophobicContact CB-CD1 4.23Å; K60-Y84 HydrophobicContact CB-CE1 4.47Å; K60-Y84 HydrophobicContact CD-CD1 4.1Å; K60-Y84 HydrophobicContact CD-CE1 4.01Å; K60-Y84 HydrophobicContact CG-CD1 3.87Å; K60-Y84 HydrophobicContact CG-CE1 3.68Å; K60-L139 WeakPolarHBondContact CE-O 3.39Å; K60-L139 PolarHBondContact NZ-O 2.66Å; K60-I140 VanDerWaalsContact NZ-C 3.33Å; K60-I140 PolarHBondContact NZ-O 2.55Å
61S75Confident70.8Confident18 Ų1841.1 Ų41.113%0.12621%0.207CC..EExtended strand (participates in β ladder)trans-70.9117.5166.553.20000109.8T46 N80T46-S61 PolarHBondContact O-N 3.4Å; S61-N80 WeakPolarHBondContact CA-O 3.42Å
62Y66Low68Low68 Ų6847.4 Ų47.427%0.26724%0.24SC..EExtended strand (participates in β ladder)trans-104.6122.1170.8-83.9-93000110K60 D79 N80 R82 Q534K60-Y62 HydrophobicContact CB-CD2 4.36Å; K60-Y62 HydrophobicContact CB-CE2 4.05Å; Y62-D79 WeakPolarHBondContact O-CA 3.4Å; Y62-N80 PolarHBondContact N-O 2.77Å; Y62-N80 PolarHBondContact O-N 2.93Å; Y62-R82 HydrophobicContact CD2-CB 4Å; Y62-R82 HydrophobicContact CD2-CG 4.23Å; Y62-R82 HydrophobicContact CE2-CB 4.23Å; Y62-Q534 PolarHBondContact OH-OE1 3Å
63S57Low65.1Low72 Ų7254.5 Ų54.550%0.50328%0.278SS..  trans-79.6130.4170.567.40000110D79S63-D79 WeakPolarHBondContact CA-OD1 3.49Å; S63-D79 WeakPolarHBondContact CB-OD1 3.28Å; S63-D79 PolarHBondContact N-OD1 2.95Å
64Y52.2Low62.4Low49 Ų4956 Ų5619%0.19229%0.286CS..  trans-93.7113-179-164.2-104.5000110.1N66 D67 I70 Q522 F536Y64-N66 VanDerWaalsContact CD1-C 3.5Å; Y64-N66 HydrophobicContact CD1-CB 3.88Å; Y64-N66 HydrophobicContact CE1-CB 3.26Å; Y64-N66 PolarHBondContact O-N 3.43Å; Y64-N66 VanDerWaalsContact O-N 3.16Å; Y64-D67 PolarHBondContact O-N 2.67Å; Y64-I70 HydrophobicContact CE1-CD1 4.43Å; Y64-Q522 VanDerWaalsContact OH-CD 3.22Å; Y64-Q522 PolarHBondContact OH-NE2 2.81Å; Y64-Q522 PolarHBondContact OH-OE1 2.69Å; Y64-F536 HydrophobicContact CD2-CD2 4.47Å
65L44.8Very low59.7Low171 Ų17161.2 Ų61.290%0.89532%0.315SS*.THydrogen-bonded Turntrans-64.5-17.9-178.9-86.7152.3000113.8
66N45.7Very low57.1Low72 Ų7262.3 Ų62.339%0.38532%0.322SS..THydrogen-bonded Turntrans-105.720.9-177.4-91.9-13.3000113.8Y64 K68 M69Y64-N66 VanDerWaalsContact CD1-C 3.5Å; Y64-N66 HydrophobicContact CD1-CB 3.88Å; Y64-N66 HydrophobicContact CE1-CB 3.26Å; Y64-N66 PolarHBondContact O-N 3.43Å; Y64-N66 VanDerWaalsContact O-N 3.16Å; N66-K68 PolarHBondContact O-N 2.97Å; N66-M69 PolarHBondContact O-N 3.44Å
67D42.2Very low54.9Low12 Ų1264.9 Ų64.96%0.06434%0.34CS..G310 helixtrans-57.3-22.8-175.3-93.9-20.3000114.4Y64 M69 I70 N71 S77 Q78Y64-D67 PolarHBondContact O-N 2.67Å; D67-M69 PolarHBondContact O-N 2.86Å; D67-I70 PolarHBondContact O-N 2.99Å; D67-N71 PolarHBondContact O-N 3.44Å; D67-N71 VanDerWaalsContact O-N 3.09Å; D67-S77 WeakPolarHBondContact OD2-CA 3.21Å; D67-Q78 PolarHBondContact OD2-N 2.86Å
68K41.5Very low52.8Low165 Ų16565.1 Ų65.172%0.71734%0.341SS*.G310 helixtrans-57.6-22.1173.8-70.4-167.5173.8-1690114.6N66 D75N66-K68 PolarHBondContact O-N 2.97Å; K68-D75 WeakPolarHBondContact CE-OD1 3.5Å; K68-D75 IonicContact NZ-OD1 3.6Å
69M41.2Very low51Low137 Ų13766.6 Ų66.668%0.67535%0.349SS*.G310 helixtrans-96.3-17-174.8-81-164.1162.900114.9N66 D67 K588N66-M69 PolarHBondContact O-N 3.44Å; D67-M69 PolarHBondContact O-N 2.86Å; M69-K588 PolarHBondContact SD-NZ 2.88Å
70I43.4Very low49.9Very low41 Ų4166.8 Ų66.821%0.2135%0.35CS..THydrogen-bonded Turntrans-106.7-33.4178.3-50.3177.1000110.4Y64 D67 L666Y64-I70 HydrophobicContact CE1-CD1 4.43Å; D67-I70 PolarHBondContact O-N 2.99Å; I70-L666 HydrophobicContact CB-CD2 4.5Å; I70-L666 HydrophobicContact CD1-CD2 4.21Å; I70-L666 HydrophobicContact CG2-CD1 4.49Å; I70-L666 HydrophobicContact CG2-CD2 3.72Å; I70-L666 HydrophobicContact CG2-CG 3.67Å
71N37Very low49.8Very low19 Ų1967 Ų6710%0.10235%0.35CS..SBendtrans-96108.1174.1-77.6-27.6000110.8D67 N73D67-N71 PolarHBondContact O-N 3.44Å; D67-N71 VanDerWaalsContact O-N 3.09Å; N71-N73 PolarHBondContact O-N 2.97Å
72L36.1Very low50.3Low132 Ų13267.6 Ų67.669%0.69135%0.35SS*.SBendtrans-64.999.5162.1-77.6159.4000108.1
73N35.3Very low51.5Low151 Ų15165.2 Ų65.281%0.80734%0.342SS*.SBendtrans96.520.9159-52.2-42.3000120.6N71N71-N73 PolarHBondContact O-N 2.97Å
74T39.2Very low53Low41 Ų4164.3 Ų64.325%0.25233%0.328SS..  trans-132.6119.4167.155.70000112.2V76 L473T74-V76 PolarHBondContact O-N 3.49Å; T74-L473 HydrophobicContact CG2-CD1 3.65Å
75D38.4Very low54.7Low130 Ų13063 Ų6370%0.69532%0.324SS*.  trans-67.39.4173.5-79.7-42.3000113.3K68 S77K68-D75 WeakPolarHBondContact CE-OD1 3.5Å; K68-D75 IonicContact NZ-OD1 3.6Å; D75-S77 PolarHBondContact O-N 3.01Å
76V41.7Very low57Low25 Ų2554.9 Ų54.915%0.15228%0.282CS..  trans-82.9113.1-179.3-175.50000108.8T74 Q78T74-V76 PolarHBondContact O-N 3.49Å; V76-Q78 PolarHBondContact O-N 3.09Å
77S48.4Very low59.3Low53 Ų5351.8 Ų51.837%0.37127%0.265SS..  trans-63.4109.7171.360.70000109.3D67 D75 D79D67-S77 WeakPolarHBondContact OD2-CA 3.21Å; D75-S77 PolarHBondContact O-N 3.01Å; S77-D79 PolarHBondContact O-N 2.95Å
78Q52.4Low61.7Low6 Ų653.2 Ų53.23%0.02828%0.275CS..  trans-79.194178.3-73.3-164.9-18.100108.3D67 V76 N80 P474 A475D67-Q78 PolarHBondContact OD2-N 2.86Å; V76-Q78 PolarHBondContact O-N 3.09Å; Q78-N80 PolarHBondContact O-N 3.27Å; Q78-N80 PolarHBondContact O-ND2 2.9Å; Q78-N80 PolarHBondContact O-OD1 2.85Å; Q78-P474 PolarHBondContact NE2-O 2.76Å; Q78-P474 PolarHBondContact OE1-O 3.43Å; Q78-A475 HydrophobicContact CB-CB 4.07Å; Q78-A475 HydrophobicContact CG-CB 4.3Å
79D55.5Low64Low30 Ų3046.3 Ų46.316%0.1625%0.251CS..  trans-62.9122174.9-66.8-21.4000110.2Y62 S63 S77 K451Y62-D79 WeakPolarHBondContact O-CA 3.4Å; S63-D79 WeakPolarHBondContact CA-OD1 3.49Å; S63-D79 WeakPolarHBondContact CB-OD1 3.28Å; S63-D79 PolarHBondContact N-OD1 2.95Å; S77-D79 PolarHBondContact O-N 2.95Å; D79-K451 IonicContact OD1-NZ 3.47Å; D79-K451 IonicContact OD2-NZ 3.85Å; D79-K451 PolarHBondContact OD2-NZ 2.9Å
80N70.4Confident66.5Low5 Ų540 Ų403%0.02722%0.22CC..EExtended strand (participates in β ladder)trans-106.4139.9-178.6-62.4-41.4000110.5S61 Y62 Q78 L476S61-N80 WeakPolarHBondContact CA-O 3.42Å; Y62-N80 PolarHBondContact N-O 2.77Å; Y62-N80 PolarHBondContact O-N 2.93Å; Q78-N80 PolarHBondContact O-N 3.27Å; Q78-N80 PolarHBondContact O-ND2 2.9Å; Q78-N80 PolarHBondContact O-OD1 2.85Å; N80-L476 WeakPolarHBondContact OD1-CB 3.28Å; N80-L476 PolarHBondContact OD1-N 2.65Å
81F83.2Confident68.9Low9 Ų944 Ų444%0.03924%0.241CC..EExtended strand (participates in β ladder)trans-75.3133.1173-78.1-59.9000111.1I33 L48 T59 K60 F445 F453 V463I33-F81 HydrophobicContact CD1-CZ 3.89Å; L48-F81 HydrophobicContact CB-CD1 4.15Å; L48-F81 HydrophobicContact CB-CE1 3.64Å; L48-F81 HydrophobicContact CB-CZ 3.84Å; L48-F81 HydrophobicContact CD2-CD1 4.25Å; L48-F81 HydrophobicContact CD2-CD2 3.87Å; L48-F81 HydrophobicContact CD2-CE1 4.19Å; L48-F81 HydrophobicContact CD2-CE2 3.76Å; L48-F81 HydrophobicContact CD2-CG 4.11Å; L48-F81 HydrophobicContact CD2-CZ 3.94Å; T59-F81 WeakPolarHBondContact OG1-CD1 3.32Å; K60-F81 WeakPolarHBondContact O-CA 3.23Å; F81-F445 HydrophobicContact CD2-CZ 4.17Å; F81-F445 HydrophobicContact CE1-CE1 4.13Å; F81-F445 HydrophobicContact CE1-CZ 4.2Å; F81-F445 AromaticContact CE2-CE1 3.93Å; F81-F445 HydrophobicContact CE2-CE1 3.93Å; F81-F445 AromaticContact CE2-CE2 3.81Å; F81-F445 HydrophobicContact CE2-CE2 3.81Å; F81-F445 AromaticContact CE2-CZ 3.17Å; F81-F445 HydrophobicContact CE2-CZ 3.17Å; F81-F445 HydrophobicContact CZ-CD1 4.43Å; F81-F445 AromaticContact CZ-CE1 3.43Å; F81-F445 HydrophobicContact CZ-CE1 3.43Å; F81-F445 VanDerWaalsContact CZ-CE1 3.43Å; F81-F445 AromaticContact CZ-CE2 3.99Å; F81-F445 HydrophobicContact CZ-CE2 3.99Å; F81-F445 AromaticContact CZ-CZ 3.18Å; F81-F445 HydrophobicContact CZ-CZ 3.18Å; F81-F453 HydrophobicContact CE2-CB 4.43Å; F81-F453 HydrophobicContact CE2-CD1 4.05Å; F81-F453 HydrophobicContact CE2-CG 4.3Å; F81-F453 HydrophobicContact CZ-CD1 4.42Å; F81-V463 HydrophobicContact CD2-CG2 3.86Å; F81-V463 HydrophobicContact CE2-CG2 4.09Å
82R85.4Confident71.6Confident31 Ų3144 Ų4412%0.11724%0.243CC..EExtended strand (participates in β ladder)trans-130.2130.8172.2-73-179.8160.4-132.5-37.2111.3T59 K60 Y62 Y84 E535 F536 W537T59-R82 WeakPolarHBondContact CA-O 3.44Å; T59-R82 WeakPolarHBondContact CB-O 3.33Å; K60-R82 PolarHBondContact N-O 2.89Å; K60-R82 VanDerWaalsContact N-O 3.11Å; K60-R82 PolarHBondContact O-N 2.77Å; Y62-R82 HydrophobicContact CD2-CB 4Å; Y62-R82 HydrophobicContact CD2-CG 4.23Å; Y62-R82 HydrophobicContact CE2-CB 4.23Å; R82-Y84 PolarHBondContact O-N 2.86Å; R82-E535 PolarHBondContact NH1-O 2.96Å; R82-E535 VanDerWaalsContact NH1-O 3.13Å; R82-F536 VanDerWaalsContact NE-CD2 3.28Å; R82-F536 VanDerWaalsContact NH2-C 3.35Å; R82-W537 PolarHBondContact NH2-O 3.32Å
83V91Very high74.4Confident18 Ų1840.3 Ų40.311%0.10922%0.224CC..EExtended strand (participates in β ladder)trans-68117.6170.7-177.60000108.2T20 V22 F50 C57 L58 T59 T86 L478T20-V83 HydrophobicContact CG2-CB 4.2Å; T20-V83 HydrophobicContact CG2-CG1 3.81Å; V22-V83 HydrophobicContact CG2-CG2 3.61Å; F50-V83 HydrophobicContact CZ-CG2 4.14Å; C57-V83 HydrophobicContact CB-CG1 4.31Å; C57-V83 HydrophobicContact CB-CG2 4.45Å; L58-V83 WeakPolarHBondContact O-CA 3.39Å; T59-V83 HydrophobicContact CG2-CB 4.31Å; T59-V83 HydrophobicContact CG2-CG2 3.62Å; V83-T86 HydrophobicContact CG1-CG2 4.14Å; V83-L478 HydrophobicContact CG2-CD1 4.16Å; V83-L478 HydrophobicContact CG2-CD2 4.13Å
84Y87.5Confident77.4Confident53 Ų5333.1 Ų33.121%0.20819%0.186CC..EExtended strand (participates in β ladder)trans-109.6-19.8177.273.3-89.4000112L58 K60 R82L58-Y84 HydrophobicContact CB-CD1 4.36Å; L58-Y84 HydrophobicContact CB-CE1 3.59Å; L58-Y84 HydrophobicContact CB-CE2 4.45Å; L58-Y84 VanDerWaalsContact O-CD1 3.26Å; L58-Y84 WeakPolarHBondContact O-CD1 3.42Å; L58-Y84 PolarHBondContact O-N 2.93Å; K60-Y84 HydrophobicContact CB-CD1 4.23Å; K60-Y84 HydrophobicContact CB-CE1 4.47Å; K60-Y84 HydrophobicContact CD-CD1 4.1Å; K60-Y84 HydrophobicContact CD-CE1 4.01Å; K60-Y84 HydrophobicContact CG-CD1 3.87Å; K60-Y84 HydrophobicContact CG-CE1 3.68Å; R82-Y84 PolarHBondContact O-N 2.86Å
85Q89.5Confident80Confident21 Ų2134.3 Ų34.310%0.09819%0.185CC..EExtended strand (participates in β ladder)trans-152.3147.8-178.3-171.617116.400111.2L58 L87 T145L58-Q85 HydrophobicContact CB-CB 4.42Å; L58-Q85 HydrophobicContact CD1-CB 4.4Å; L58-Q85 PolarHBondContact N-O 3.19Å; Q85-L87 HydrophobicContact CG-CD2 4.26Å; Q85-T145 PolarHBondContact NE2-O 3.25Å; Q85-T145 VanDerWaalsContact NE2-O 3.17Å
86T92.4Very high82.8Confident1 Ų128.1 Ų28.11%0.00615%0.152CC..EExtended strand (participates in β ladder)trans-125.4134.7171.5530000110I56 V83 P88 D910 R949I56-T86 CarbonylContact O-C 3.5Å; I56-T86 VanDerWaalsContact O-CA 3.32Å; I56-T86 WeakPolarHBondContact O-CA 3.4Å; V83-T86 HydrophobicContact CG1-CG2 4.14Å; T86-P88 WeakPolarHBondContact O-CD 3.46Å; T86-D910 WeakPolarHBondContact O-CB 3.43Å; T86-D910 PolarHBondContact OG1-O 2.87Å; T86-R949 PolarHBondContact OG1-NH2 2.9Å
87L93.2Very high85.4Confident7 Ų727.1 Ų27.14%0.03715%0.146CC..EExtended strand (participates in β ladder)trans-102.2113.5-178.8-52.6177.4000110.4I56 L58 Q85 W132 W148I56-L87 HydrophobicContact CB-CB 4.18Å; I56-L87 HydrophobicContact CB-CD1 4.39Å; I56-L87 HydrophobicContact CG2-CD1 4.42Å; I56-L87 PolarHBondContact N-O 3.48Å; I56-L87 PolarHBondContact O-N 2.93Å; L58-L87 HydrophobicContact CD1-CD1 4.22Å; L58-L87 HydrophobicContact CD1-CD2 4.43Å; L58-L87 HydrophobicContact CD1-CG 4.34Å; Q85-L87 HydrophobicContact CG-CD2 4.26Å; L87-W132 HydrophobicContact CB-CH2 4.25Å; L87-W132 HydrophobicContact CB-CZ3 4.15Å; L87-W132 HydrophobicContact CD1-CD2 4.47Å; L87-W132 HydrophobicContact CD1-CE3 4.29Å; L87-W148 HydrophobicContact CD1-CD2 3.89Å; L87-W148 HydrophobicContact CD1-CE3 4.11Å; L87-W148 HydrophobicContact CD1-CG 4.34Å; L87-W148 HydrophobicContact CD1-CH2 4.4Å; L87-W148 HydrophobicContact CD1-CZ2 4.23Å; L87-W148 HydrophobicContact CD1-CZ3 4.37Å; L87-W148 HydrophobicContact CD2-CB 4.25Å; L87-W148 HydrophobicContact CD2-CD2 4.1Å; L87-W148 HydrophobicContact CD2-CG 3.71Å
88P92.2Very high87.7Confident42 Ų4226 Ų2627%0.27313%0.134SC..  trans-75.5139.6171.430.3-33.6000111.6F55 T86 W132 P909F55-P88 HydrophobicContact CD1-CB 4.19Å; F55-P88 HydrophobicContact CE1-CB 3.56Å; F55-P88 HydrophobicContact CZ-CB 4.44Å; T86-P88 WeakPolarHBondContact O-CD 3.46Å; P88-W132 WeakPolarHBondContact O-CH2 3.33Å; P88-P909 HydrophobicContact CG-CB 4.11Å
89G89.8Confident89.8Confident20 Ų2025.9 Ų25.921%0.20613%0.133CC..  trans171-26.1169.100000117.2K153G89-K153 PolarHBondContact O-NZ 3.28Å
90H94.9Very high91.5Very high6 Ų624.5 Ų24.53%0.02813%0.126CC..  trans-83.5154.9173.6-73.5-79.6000111.8H54 V94 S122 D124 T128H54-H90 HydrophobicContact CB-CB 4.34Å; H54-H90 WeakPolarHBondContact O-CB 3.22Å; H90-V94 HydrophobicContact CB-CG2 4.12Å; H90-S122 WeakPolarHBondContact NE2-CB 3.22Å; H90-S122 PolarHBondContact NE2-OG 3.28Å; H90-D124 HydrophobicContact CB-CB 4.32Å; H90-D124 IonicContact CE1-OD2 3.54Å; H90-D124 IonicContact CG-OD2 3.87Å; H90-D124 WeakPolarHBondContact ND1-CB 3.08Å; H90-D124 IonicContact ND1-OD2 2.86Å; H90-D124 PolarHBondContact ND1-OD2 2.94Å; H90-T128 PolarHBondContact CE1-O 2.9Å
91N92.7Very high92.2Very high124 Ų12427.6 Ų27.666%0.66314%0.142SC*.SBendtrans-1100.1179.2-67.3-20.4000112.5H54H54-N91 PolarHBondContact CE1-O 2.9Å; H54-N91 VanDerWaalsContact ND1-C 3.34Å; H54-N91 PolarHBondContact ND1-O 3.29Å
92S95Very high92Very high20 Ų2028 Ų2814%0.1415%0.146CC..SBendtrans-145.4172.7-178.8-167.10000109.3H54 V94 C126H54-S92 WeakPolarHBondContact CA-O 3.47Å; H54-S92 WeakPolarHBondContact CB-O 3.36Å; H54-S92 PolarHBondContact CD2-O 2.83Å; S92-V94 PolarHBondContact O-N 3.07Å; S92-C126 WeakPolarHBondContact CB-SG 3.39Å; S92-C126 PolarHBondContact OG-SG 3.44Å; S92-C126 VanDerWaalsContact OG-SG 3.34Å
93D95.1Very high91.4Very high54 Ų5427.3 Ų27.329%0.28915%0.146SC..  trans-63.4126.2-176.1-66.6-34.3000111.1F27 S53 H54 R95 D124 S125F27-D93 HydrophobicContact CE2-CB 4.4Å; S53-D93 WeakPolarHBondContact CA-OD1 3.45Å; S53-D93 WeakPolarHBondContact O-CA 3.41Å; S53-D93 PolarHBondContact OG-OD1 2.83Å; H54-D93 PolarHBondContact CD2-N 3.49Å; H54-D93 IonicContact CD2-OD1 3.6Å; H54-D93 PolarHBondContact CD2-OD1 2.94Å; H54-D93 VanDerWaalsContact CD2-OD1 3.28Å; H54-D93 IonicContact NE2-OD1 3.8Å; D93-R95 PolarHBondContact O-N 2.93Å; D93-D124 WeakPolarHBondContact O-CA 3.39Å; D93-D124 WeakPolarHBondContact O-CB 3.5Å; D93-S125 PolarHBondContact O-N 2.85Å; D93-S125 PolarHBondContact O-OG 3.16Å
94V96.8Very high90.2Very high0 Ų028.6 Ų28.60%015%0.15CC..EExtended strand (participates in β ladder)trans-67.1120177.9178.30000108.6N25 C30 S53 H90 S92 V97N25-V94 PolarHBondContact ND2-N 3.36Å; N25-V94 PolarHBondContact ND2-O 2.82Å; C30-V94 PolarHBondContact SG-O 3.48Å; C30-V94 VanDerWaalsContact SG-O 3.33Å; S53-V94 PolarHBondContact O-N 3.39Å; H90-V94 HydrophobicContact CB-CG2 4.12Å; S92-V94 PolarHBondContact O-N 3.07Å; V94-V97 HydrophobicContact CG1-CG2 3.58Å
95R95.6Very high88.6Confident65 Ų6529.9 Ų29.925%0.24516%0.158CC..EExtended strand (participates in β ladder)trans-100.5-32-173.6-170.7155.9170.2105.9-2.6112.8F27 D93 G123 I162 N163F27-R95 HydrophobicContact CB-CG 4.1Å; F27-R95 WeakPolarHBondContact CB-O 3.39Å; F27-R95 HydrophobicContact CD1-CG 4.08Å; F27-R95 HydrophobicContact CD2-CB 4.06Å; F27-R95 HydrophobicContact CD2-CG 3.9Å; F27-R95 HydrophobicContact CE2-CB 4.28Å; F27-R95 HydrophobicContact CE2-CG 4.29Å; F27-R95 HydrophobicContact CG-CB 4.4Å; F27-R95 HydrophobicContact CG-CG 3.75Å; D93-R95 PolarHBondContact O-N 2.93Å; R95-G123 PolarHBondContact N-O 3Å; R95-I162 WeakPolarHBondContact CD-O 3.23Å; R95-I162 WeakPolarHBondContact CG-O 3.47Å; R95-I162 PolarHBondContact NE-O 2.89Å; R95-N163 PolarHBondContact NH2-OD1 3.38Å
96C96.2Very high86.6Confident1 Ų134.1 Ų34.11%0.00718%0.181CC..EExtended strand (participates in β ladder)trans-144.5143.4-178.752.40000112.2G29 S122 G123 I162 I165G29-C96 CarbonylContact O-C 3.59Å; G29-C96 WeakPolarHBondContact O-CA 3.4Å; C96-S122 CarbonylContact O-C 3.53Å; C96-S122 VanDerWaalsContact O-CA 3.26Å; C96-S122 WeakPolarHBondContact O-CA 3.27Å; C96-G123 PolarHBondContact N-O 2.93Å; C96-G123 VanDerWaalsContact N-O 3.15Å; C96-G123 PolarHBondContact O-N 2.86Å; C96-G123 VanDerWaalsContact SG-CA 3.6Å; C96-I162 WeakPolarHBondContact SG-CG2 3.34Å; C96-I165 HydrophobicContact CB-CD1 4.01Å; C96-I165 HydrophobicContact CB-CG1 3.86Å; C96-I165 VanDerWaalsContact SG-CG2 3.5Å
97V97.3Very high84.3Confident3 Ų343.4 Ų43.42%0.01822%0.221CC..EExtended strand (participates in β ladder)trans-139.9133.4-180179.30000107.7G29 S32 A49 V94 L120 M121G29-V97 PolarHBondContact O-N 3.06Å; S32-V97 WeakPolarHBondContact CB-O 3.5Å; A49-V97 HydrophobicContact CB-CG1 3.85Å; V94-V97 HydrophobicContact CG1-CG2 3.58Å; V97-L120 HydrophobicContact CG1-CD1 3.73Å; V97-L120 HydrophobicContact CG1-CD2 4.24Å; V97-L120 HydrophobicContact CG1-CG 4.22Å; V97-M121 CarbonylContact C-O 3.57Å; V97-M121 WeakPolarHBondContact CA-O 3.49Å
98R96.4Very high81.9Confident30 Ų3048.8 Ų48.811%0.11325%0.25CS..EExtended strand (participates in β ladder)trans-146.8121.8-177.8-17158.2164.4174.33.1111.2M121 I165 D166 R381R98-M121 PolarHBondContact N-O 3.34Å; R98-M121 PolarHBondContact O-N 3.36Å; R98-I165 HydrophobicContact CB-CD1 4.11Å; R98-I165 HydrophobicContact CB-CG1 3.97Å; R98-D166 IonicContact CZ-OD1 3.51Å; R98-D166 IonicContact NE-OD1 3.47Å; R98-D166 PolarHBondContact NE-OD1 3.4Å; R98-D166 IonicContact NH2-OD1 2.72Å; R98-D166 PolarHBondContact NH2-OD1 2.84Å; R98-D166 IonicContact NH2-OD2 2.7Å; R98-R381 VanDerWaalsContact NH1-NH2 3.16Å
99W95Very high79.7Confident3 Ų350.9 Ų50.91%0.01127%0.266CS..EExtended strand (participates in β ladder)trans-68.6138.7163.7-69.3112.5000109.3S32 I34 I47 A49 L58 C118 L120 L139 W148S32-W99 PolarHBondContact O-NE1 2.83Å; S32-W99 VanDerWaalsContact O-NE1 3.16Å; S32-W99 PolarHBondContact OG-N 3.2Å; I34-W99 HydrophobicContact CB-CB 4.28Å; I34-W99 HydrophobicContact CB-CD2 4.18Å; I34-W99 HydrophobicContact CB-CG 3.84Å; I34-W99 HydrophobicContact CD1-CB 4.23Å; I34-W99 HydrophobicContact CD1-CD2 4.41Å; I34-W99 HydrophobicContact CD1-CE3 4.45Å; I34-W99 HydrophobicContact CD1-CG 4.34Å; I34-W99 HydrophobicContact CG2-CD2 3.7Å; I34-W99 HydrophobicContact CG2-CE3 4.31Å; I34-W99 HydrophobicContact CG2-CG 3.9Å; I34-W99 HydrophobicContact CG2-CZ2 4.02Å; I47-W99 HydrophobicContact CG2-CZ2 3.97Å; A49-W99 HydrophobicContact CB-CZ2 3.82Å; L58-W99 HydrophobicContact CD2-CH2 4.38Å; L58-W99 HydrophobicContact CD2-CZ2 4.08Å; W99-C118 HydrophobicContact CZ3-CB 4.01Å; W99-L120 HydrophobicContact CD2-CD1 3.45Å; W99-L120 VanDerWaalsContact CD2-CD1 3.45Å; W99-L120 HydrophobicContact CE3-CB 3.97Å; W99-L120 HydrophobicContact CE3-CD1 3.65Å; W99-L120 HydrophobicContact CE3-CG 4.43Å; W99-L120 HydrophobicContact CG-CD1 3.88Å; W99-L120 HydrophobicContact CH2-CD1 4.33Å; W99-L120 HydrophobicContact CZ2-CD1 4.15Å; W99-L120 HydrophobicContact CZ3-CB 3.94Å; W99-L120 HydrophobicContact CZ3-CD1 4.08Å; W99-L139 HydrophobicContact CH2-CD1 4.3Å; W99-L139 HydrophobicContact CH2-CD2 4.09Å; W99-W148 AromaticContact CH2-CH2 3.62Å; W99-W148 HydrophobicContact CH2-CH2 3.62Å; W99-W148 HydrophobicContact CH2-CZ2 4.12Å; W99-W148 AromaticContact CZ3-CH2 3.82Å; W99-W148 HydrophobicContact CZ3-CH2 3.82Å
100L92.5Very high78Confident1 Ų151.9 Ų51.91%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-98.8117.3179.6-50.3-178.4000109.5F119 M121 L183 L185L100-F119 HydrophobicContact CB-CB 4.07Å; L100-F119 HydrophobicContact CD1-CB 3.85Å; L100-F119 HydrophobicContact CG-CB 4.17Å; L100-F119 PolarHBondContact N-O 3.38Å; L100-M121 HydrophobicContact CD1-CB 4.46Å; L100-M121 HydrophobicContact CD2-CB 4.01Å; L100-M121 HydrophobicContact CD2-CE 4.14Å; L100-M121 HydrophobicContact CG-CB 4.44Å; L100-L183 HydrophobicContact CD1-CD1 4.42Å; L100-L183 HydrophobicContact CD1-CD2 3.87Å; L100-L185 HydrophobicContact CD1-CD2 3.55Å; L100-L185 HydrophobicContact CD2-CD2 4.25Å
101D84.5Confident76.5Confident71 Ų7155.9 Ų55.938%0.3829%0.288SS..EExtended strand (participates in β ladder)trans-77.8161.7179.1-66.4-37.1000111.8Y168 L169D101-Y168 CarbonylContact O-C 3.55Å; D101-Y168 VanDerWaalsContact O-CA 3.3Å; D101-Y168 WeakPolarHBondContact O-CA 3.4Å; D101-Y168 WeakPolarHBondContact O-CB 3.42Å; D101-L169 PolarHBondContact O-N 3.13Å
102C80.3Confident75.6Confident16 Ų1650.1 Ų50.111%0.10826%0.258CS..EExtended strand (participates in β ladder)trans-96.9132.4173.3-171.10000109.9F104 H105 Y113C102-F104 PolarHBondContact O-N 3.32Å; C102-H105 PolarHBondContact O-CD2 3.46Å; C102-Y113 HydrophobicContact CB-CE2 4.33Å
103C72.5Confident74.7Confident17 Ų1749.3 Ų49.312%0.11525%0.251CS..SBendtrans-58.8-32.7-177.3-63.20000114.1H105 Y168 L169 F170C103-H105 PolarHBondContact O-N 2.85Å; C103-Y168 WeakPolarHBondContact SG-CD2 3.46Å; C103-Y168 VanDerWaalsContact SG-CE2 3.5Å; C103-L169 PolarHBondContact N-O 3.24Å; C103-L169 PolarHBondContact SG-O 3.35Å; C103-F170 HydrophobicContact CB-CD2 4.33Å
104F64.2Low73.6Confident45 Ų4551.3 Ų51.320%0.19726%0.259CS..  trans-93.473-178.1-51.6-36.9000109.4C102 N106 F170 P171 E174 W251C102-F104 PolarHBondContact O-N 3.32Å; F104-N106 PolarHBondContact O-N 3.35Å; F104-F170 HydrophobicContact CZ-CZ 4.31Å; F104-P171 HydrophobicContact CD2-CB 4.48Å; F104-P171 HydrophobicContact CD2-CG 3.21Å; F104-P171 HydrophobicContact CE2-CB 4.37Å; F104-P171 HydrophobicContact CE2-CG 3.32Å; F104-P171 HydrophobicContact CG-CG 4.23Å; F104-P171 HydrophobicContact CZ-CG 4.37Å; F104-E174 HydrophobicContact CD1-CG 4.22Å; F104-E174 HydrophobicContact CD2-CB 4.38Å; F104-E174 HydrophobicContact CD2-CG 4.24Å; F104-E174 HydrophobicContact CE1-CG 4.01Å; F104-E174 HydrophobicContact CE2-CB 4.41Å; F104-E174 HydrophobicContact CE2-CG 3.99Å; F104-E174 HydrophobicContact CG-CG 4.38Å; F104-E174 HydrophobicContact CZ-CG 3.9Å; F104-W251 AromaticContact CD1-CH2 3.92Å; F104-W251 HydrophobicContact CD1-CH2 3.92Å; F104-W251 HydrophobicContact CD1-CZ2 4.11Å; F104-W251 AromaticContact CE1-CH2 3.58Å; F104-W251 HydrophobicContact CE1-CH2 3.58Å; F104-W251 AromaticContact CE1-CZ2 3.39Å; F104-W251 HydrophobicContact CE1-CZ2 3.39Å; F104-W251 HydrophobicContact CZ-CZ2 4.35Å
105H55.8Low72.6Confident80 Ų8052.2 Ų52.237%0.3726%0.263SS..  trans-70.6124.6167.6-100.2-72.2000109.4C102 C103C102-H105 PolarHBondContact O-CD2 3.46Å; C103-H105 PolarHBondContact O-N 2.85Å
106N46.8Very low71.9Confident110 Ų11051.1 Ų51.159%0.58827%0.269SS*.  trans-57.9139.2171.8-87-32.4000109.9F104 D108 Q114F104-N106 PolarHBondContact O-N 3.35Å; N106-D108 PolarHBondContact O-N 3.31Å; N106-Q114 PolarHBondContact ND2-OE1 3.49Å
107K44.5Very low71.3Confident196 Ų19651.1 Ų51.185%0.85227%0.268SS*.SBendtrans-54.6-8.7-174-67.2-179.7174.7-175.70116.2S109K107-S109 PolarHBondContact O-N 2.98Å; K107-S109 VanDerWaalsContact O-N 3.09Å
108D42.7Very low71Confident120 Ų12051 Ų5164%0.64227%0.267SS*.SBendtrans-85.384.5-177.9-67.8-22.4000110.6N106 S110N106-D108 PolarHBondContact O-N 3.31Å; D108-S110 PolarHBondContact O-N 3.16Å; D108-S110 PolarHBondContact O-OG 3.49Å
109S45.3Very low70.8Confident86 Ų8649.6 Ų49.660%0.60126%0.262SS*.SBendtrans23.212152.161.80000122K107K107-S109 PolarHBondContact O-N 2.98Å; K107-S109 VanDerWaalsContact O-N 3.09Å
110S53.3Low70.8Confident41 Ų4149.4 Ų49.429%0.28726%0.262SS..  trans-128.2119.9-174.165.80000106.7D108 V112D108-S110 PolarHBondContact O-N 3.16Å; D108-S110 PolarHBondContact O-OG 3.49Å; S110-V112 PolarHBondContact O-N 3.19Å
111Q64.7Low71Confident91 Ų9149.4 Ų49.443%0.42526%0.261SS..  trans-68.940.4174.9-69.3-179.8-22.400111.4P446Q111-P446 HydrophobicContact CB-CB 4.16Å
112V72.7Confident71.6Confident3 Ų346 Ų462%0.01824%0.243CC..EExtended strand (participates in β ladder)trans-94.5119.4-175.4178.20000107.6A35 R37 V44 S110 Q114A35-V112 HydrophobicContact CB-CG2 4.18Å; R37-V112 HydrophobicContact CB-CG1 3.45Å; R37-V112 VanDerWaalsContact CB-CG1 3.45Å; V44-V112 HydrophobicContact CG1-CG1 4.14Å; V44-V112 HydrophobicContact CG1-CG2 4.04Å; V44-V112 HydrophobicContact CG2-CG1 4.44Å; V44-V112 HydrophobicContact CG2-CG2 4.4Å; S110-V112 PolarHBondContact O-N 3.19Å; V112-Q114 PolarHBondContact O-N 3.43Å
113Y76.1Confident72.4Confident2 Ų245.2 Ų45.21%0.00824%0.238CC..EExtended strand (participates in β ladder)trans-70.2125.5175.9-166.4-95.4000110.3I34 A35 R37 C102 H115 I117 C118I34-Y113 HydrophobicContact CD1-CD1 4.2Å; I34-Y113 HydrophobicContact CD1-CD2 3.81Å; I34-Y113 HydrophobicContact CD1-CE2 4.47Å; I34-Y113 HydrophobicContact CD1-CG 3.64Å; I34-Y113 HydrophobicContact CG1-CG 4.41Å; A35-Y113 VanDerWaalsContact O-CB 3.3Å; A35-Y113 WeakPolarHBondContact O-CB 3.21Å; A35-Y113 PolarHBondContact O-N 3.11Å; R37-Y113 PolarHBondContact N-O 3.18Å; C102-Y113 HydrophobicContact CB-CE2 4.33Å; Y113-H115 HydrophobicContact CD1-CB 4.32Å; Y113-H115 HydrophobicContact CE1-CB 3.57Å; Y113-H115 HydrophobicContact CE2-CB 4.34Å; Y113-I117 VanDerWaalsContact CE1-O 3.27Å; Y113-I117 WeakPolarHBondContact CE1-O 3.22Å; Y113-I117 PolarHBondContact OH-O 2.93Å; Y113-C118 HydrophobicContact CE1-CB 4.33Å; Y113-C118 VanDerWaalsContact CE1-SG 3.6Å
114Q72.4Confident73.5Confident96 Ų9644.5 Ų44.545%0.44923%0.233SC..  trans-118.8-3.6-175.1-67.4-179.30.800113.5N106 V112N106-Q114 PolarHBondContact ND2-OE1 3.49Å; V112-Q114 PolarHBondContact O-N 3.43Å
115H76.4Confident74.9Confident19 Ų1943.9 Ų43.99%0.08823%0.234CC..  trans-69.5147.6179.3-170.7-94000110.4Y113 I117 T136Y113-H115 HydrophobicContact CD1-CB 4.32Å; Y113-H115 HydrophobicContact CE1-CB 3.57Å; Y113-H115 HydrophobicContact CE2-CB 4.34Å; H115-I117 PolarHBondContact ND1-N 3.39Å; H115-I117 PolarHBondContact ND1-O 2.76Å; H115-I117 PolarHBondContact O-N 2.86Å; H115-T136 PolarHBondContact O-OG1 2.87Å
116A79.9Confident76.7Confident43 Ų4343.1 Ų43.136%0.35524%0.237SC..SBendtrans-66.1-24.6-174.500000113.5T136A116-T136 WeakPolarHBondContact O-CB 3.33Å; A116-T136 PolarHBondContact O-N 3.37Å; A116-T136 PolarHBondContact O-OG1 2.97Å
117I85.4Confident79Confident0 Ų037.9 Ų37.90%021%0.209CC..EExtended strand (participates in β ladder)trans-120129.8178.7-52-174.5000109.1Y113 H115 F119 A133 C134 C179 L204 L205Y113-I117 VanDerWaalsContact CE1-O 3.27Å; Y113-I117 WeakPolarHBondContact CE1-O 3.22Å; Y113-I117 PolarHBondContact OH-O 2.93Å; H115-I117 PolarHBondContact ND1-N 3.39Å; H115-I117 PolarHBondContact ND1-O 2.76Å; H115-I117 PolarHBondContact O-N 2.86Å; I117-F119 HydrophobicContact CB-CE2 4Å; I117-F119 HydrophobicContact CB-CZ 4.08Å; I117-F119 HydrophobicContact CG2-CD1 4.46Å; I117-F119 HydrophobicContact CG2-CD2 4.37Å; I117-F119 HydrophobicContact CG2-CE1 4.02Å; I117-F119 HydrophobicContact CG2-CE2 3.88Å; I117-F119 HydrophobicContact CG2-CZ 3.7Å; I117-A133 HydrophobicContact CG2-CB 3.87Å; I117-C134 WeakPolarHBondContact CA-O 3.45Å; I117-C134 WeakPolarHBondContact CG2-O 3.39Å; I117-C179 HydrophobicContact CD1-CB 3.59Å; I117-C179 HydrophobicContact CG1-CB 4.13Å; I117-L204 HydrophobicContact CD1-CD2 3.94Å; I117-L205 HydrophobicContact CD1-CD1 3.57Å; I117-L205 HydrophobicContact CD1-CD2 4.39Å; I117-L205 HydrophobicContact CD1-CG 3.8Å; I117-L205 HydrophobicContact CG1-CD1 3.83Å; I117-L205 HydrophobicContact CG1-CG 4.47Å
118C89.4Confident81.4Confident0 Ų029.1 Ų29.10%017%0.172CC..EExtended strand (participates in β ladder)trans-91.8133.6168.4-66.90000109.5W99 Y113 A133 C134 T136 L139W99-C118 HydrophobicContact CZ3-CB 4.01Å; Y113-C118 HydrophobicContact CE1-CB 4.33Å; Y113-C118 VanDerWaalsContact CE1-SG 3.6Å; C118-A133 WeakPolarHBondContact O-CA 3.36Å; C118-C134 PolarHBondContact N-O 3.26Å; C118-C134 PolarHBondContact O-N 3.04Å; C118-T136 PolarHBondContact SG-OG1 2.98Å; C118-L139 HydrophobicContact CB-CD2 4.21Å
119F92.6Very high83.9Confident1 Ų123.4 Ų23.40%0.00414%0.142CC..EExtended strand (participates in β ladder)trans-112.7137.4174.9-58.9-91000110.4L100 I117 W132 A133 I151 L169 L183 I200 L204L100-F119 HydrophobicContact CB-CB 4.07Å; L100-F119 HydrophobicContact CD1-CB 3.85Å; L100-F119 HydrophobicContact CG-CB 4.17Å; L100-F119 PolarHBondContact N-O 3.38Å; I117-F119 HydrophobicContact CB-CE2 4Å; I117-F119 HydrophobicContact CB-CZ 4.08Å; I117-F119 HydrophobicContact CG2-CD1 4.46Å; I117-F119 HydrophobicContact CG2-CD2 4.37Å; I117-F119 HydrophobicContact CG2-CE1 4.02Å; I117-F119 HydrophobicContact CG2-CE2 3.88Å; I117-F119 HydrophobicContact CG2-CZ 3.7Å; F119-W132 VanDerWaalsContact CA-O 3.31Å; F119-W132 WeakPolarHBondContact CA-O 3.24Å; F119-A133 HydrophobicContact CD1-CB 3.91Å; F119-A133 HydrophobicContact CE1-CB 4Å; F119-I151 HydrophobicContact CD1-CD1 3.44Å; F119-I151 VanDerWaalsContact CD1-CD1 3.44Å; F119-I151 HydrophobicContact CE1-CD1 3.41Å; F119-I151 VanDerWaalsContact CE1-CD1 3.41Å; F119-L169 HydrophobicContact CD2-CD2 4.47Å; F119-L169 HydrophobicContact CE2-CD1 4.45Å; F119-L169 HydrophobicContact CE2-CD2 3.91Å; F119-L183 HydrophobicContact CD1-CD1 3.83Å; F119-L183 HydrophobicContact CD1-CD2 4.45Å; F119-L183 HydrophobicContact CD2-CD2 4.26Å; F119-L183 HydrophobicContact CE1-CD1 4.1Å; F119-L183 HydrophobicContact CG-CD1 4.32Å; F119-L183 HydrophobicContact CG-CD2 4.17Å; F119-I200 HydrophobicContact CE1-CD1 4.05Å; F119-I200 HydrophobicContact CE1-CG1 4.27Å; F119-I200 HydrophobicContact CZ-CD1 4.48Å; F119-I200 HydrophobicContact CZ-CG1 4.22Å; F119-I200 HydrophobicContact CZ-CG2 4.2Å; F119-L204 HydrophobicContact CE1-CD2 4.25Å
120L95.4Very high86.3Confident0 Ų019.3 Ų19.30%011%0.113CC..EExtended strand (participates in β ladder)trans-124.3137.3175.8-173.677.1000108.4A49 I56 V97 W99 W132 W148A49-L120 HydrophobicContact CB-CD1 4Å; A49-L120 HydrophobicContact CB-CD2 4.3Å; I56-L120 HydrophobicContact CD1-CD2 4.08Å; I56-L120 HydrophobicContact CG2-CD2 3.89Å; V97-L120 HydrophobicContact CG1-CD1 3.73Å; V97-L120 HydrophobicContact CG1-CD2 4.24Å; V97-L120 HydrophobicContact CG1-CG 4.22Å; W99-L120 HydrophobicContact CD2-CD1 3.45Å; W99-L120 VanDerWaalsContact CD2-CD1 3.45Å; W99-L120 HydrophobicContact CE3-CB 3.97Å; W99-L120 HydrophobicContact CE3-CD1 3.65Å; W99-L120 HydrophobicContact CE3-CG 4.43Å; W99-L120 HydrophobicContact CG-CD1 3.88Å; W99-L120 HydrophobicContact CH2-CD1 4.33Å; W99-L120 HydrophobicContact CZ2-CD1 4.15Å; W99-L120 HydrophobicContact CZ3-CB 3.94Å; W99-L120 HydrophobicContact CZ3-CD1 4.08Å; L120-W132 HydrophobicContact CB-CB 4.14Å; L120-W132 HydrophobicContact CB-CG 4.49Å; L120-W132 PolarHBondContact N-O 2.6Å; L120-W132 VanDerWaalsContact O-CD1 3.3Å; L120-W132 PolarHBondContact O-N 3.43Å; L120-W148 HydrophobicContact CB-CH2 4.37Å; L120-W148 HydrophobicContact CB-CZ3 4.21Å
121M96.5Very high88.3Confident0 Ų017.4 Ų17.40%010%0.099CC..EExtended strand (participates in β ladder)trans-113.8140171.1-170.9174.746.800109.2V97 R98 L100 V129 I130 I165 D166 L185V97-M121 CarbonylContact C-O 3.57Å; V97-M121 WeakPolarHBondContact CA-O 3.49Å; R98-M121 PolarHBondContact N-O 3.34Å; R98-M121 PolarHBondContact O-N 3.36Å; L100-M121 HydrophobicContact CD1-CB 4.46Å; L100-M121 HydrophobicContact CD2-CB 4.01Å; L100-M121 HydrophobicContact CD2-CE 4.14Å; L100-M121 HydrophobicContact CG-CB 4.44Å; M121-V129 HydrophobicContact CG-CG1 3.93Å; M121-V129 HydrophobicContact SD-CG1 4.16Å; M121-I130 WeakPolarHBondContact CA-O 3.49Å; M121-I165 HydrophobicContact CB-CD1 4.16Å; M121-I165 HydrophobicContact CE-CB 3.53Å; M121-I165 HydrophobicContact CE-CD1 4.12Å; M121-I165 HydrophobicContact CE-CG1 3.96Å; M121-I165 HydrophobicContact CG-CD1 3.94Å; M121-I165 WeakPolarHBondContact O-CD1 3.39Å; M121-I165 HydrophobicContact SD-CB 4.39Å; M121-D166 WeakPolarHBondContact CE-O 3.36Å; M121-L185 HydrophobicContact CE-CD2 4.37Å; M121-L185 HydrophobicContact SD-CB 4.09Å; M121-L185 HydrophobicContact SD-CD1 4.35Å; M121-L185 HydrophobicContact SD-CD2 3.95Å; M121-L185 HydrophobicContact SD-CG 4.35Å
122S97.6Very high89.7Confident0 Ų013.4 Ų13.40%08%0.081CC..EExtended strand (participates in β ladder)trans-138.9147.6175.961.30000111.8I56 H90 C96 V129 I130 W132I56-S122 WeakPolarHBondContact CD1-OG 3.4Å; H90-S122 WeakPolarHBondContact NE2-CB 3.22Å; H90-S122 PolarHBondContact NE2-OG 3.28Å; C96-S122 CarbonylContact O-C 3.53Å; C96-S122 VanDerWaalsContact O-CA 3.26Å; C96-S122 WeakPolarHBondContact O-CA 3.27Å; S122-V129 CarbonylContact O-C 3.58Å; S122-V129 VanDerWaalsContact O-CA 3.29Å; S122-V129 WeakPolarHBondContact O-CA 3.33Å; S122-I130 PolarHBondContact N-O 3.44Å; S122-I130 PolarHBondContact O-N 2.87Å; S122-W132 PolarHBondContact OG-NE1 3.36Å
123G96.4Very high90.5Very high0 Ų013.3 Ų13.30%08%0.08CC..EExtended strand (participates in β ladder)trans-131.8140.7177.100000111.7R95 C96 T128R95-G123 PolarHBondContact N-O 3Å; C96-G123 PolarHBondContact N-O 2.93Å; C96-G123 VanDerWaalsContact N-O 3.15Å; C96-G123 PolarHBondContact O-N 2.86Å; C96-G123 VanDerWaalsContact SG-CA 3.6Å; G123-T128 WeakPolarHBondContact CA-O 3.42Å
124D95.7Very high91.1Very high1 Ų113.3 Ų13.31%0.0058%0.08CC..EExtended strand (participates in β ladder)trans-108.3172.417770.428000114.3H90 D93 C126 G127 T128H90-D124 HydrophobicContact CB-CB 4.32Å; H90-D124 IonicContact CE1-OD2 3.54Å; H90-D124 IonicContact CG-OD2 3.87Å; H90-D124 WeakPolarHBondContact ND1-CB 3.08Å; H90-D124 IonicContact ND1-OD2 2.86Å; H90-D124 PolarHBondContact ND1-OD2 2.94Å; D93-D124 WeakPolarHBondContact O-CA 3.39Å; D93-D124 WeakPolarHBondContact O-CB 3.5Å; D124-C126 PolarHBondContact O-N 2.95Å; D124-C126 WeakPolarHBondContact OD1-CA 3.42Å; D124-C126 PolarHBondContact OD1-N 3.32Å; D124-G127 PolarHBondContact O-N 3.12Å; D124-G127 VanDerWaalsContact O-N 3.13Å; D124-G127 PolarHBondContact OD1-N 3.27Å; D124-G127 VanDerWaalsContact OD1-N 3.15Å; D124-T128 PolarHBondContact N-O 3.38Å; D124-T128 WeakPolarHBondContact OD1-CB 3.34Å; D124-T128 PolarHBondContact OD1-N 2.95Å; D124-T128 WeakPolarHBondContact OD2-CB 3.3Å
125S94.2Very high91.8Very high33 Ų3311.4 Ų11.423%0.2317%0.073CC..THydrogen-bonded Turntrans-69.1-12-177.9-57.10000114.1D93D93-S125 PolarHBondContact O-N 2.85Å; D93-S125 PolarHBondContact O-OG 3.16Å
126C93.6Very high92.2Very high63 Ų6310.8 Ų10.843%0.4267%0.07SC..THydrogen-bonded Turntrans-95.51.3174.7-72.60000112.5S92 D124 Q155 N159S92-C126 WeakPolarHBondContact CB-SG 3.39Å; S92-C126 PolarHBondContact OG-SG 3.44Å; S92-C126 VanDerWaalsContact OG-SG 3.34Å; D124-C126 PolarHBondContact O-N 2.95Å; D124-C126 WeakPolarHBondContact OD1-CA 3.42Å; D124-C126 PolarHBondContact OD1-N 3.32Å; C126-Q155 PolarHBondContact O-NE2 3.15Å; C126-N159 WeakPolarHBondContact O-CB 3.32Å
127G93.6Very high92.3Very high0 Ų013 Ų130%07%0.073CC..SBendtrans87.513.1179.900000114.3D124 M156 S160D124-G127 PolarHBondContact O-N 3.12Å; D124-G127 VanDerWaalsContact O-N 3.13Å; D124-G127 PolarHBondContact OD1-N 3.27Å; D124-G127 VanDerWaalsContact OD1-N 3.15Å; G127-M156 WeakPolarHBondContact O-CB 3.36Å; G127-M156 VanDerWaalsContact O-CG 3.31Å; G127-M156 WeakPolarHBondContact O-CG 3.48Å; G127-M156 PolarHBondContact O-N 2.88Å; G127-S160 WeakPolarHBondContact CA-O 3.23Å
128T95.5Very high92.1Very high13 Ų1313.9 Ų13.98%0.088%0.08CC..EExtended strand (participates in β ladder)trans-82.3130.6172.4-60.60000110H90 G123 D124 I130 K153 Q155H90-T128 PolarHBondContact CE1-O 2.9Å; G123-T128 WeakPolarHBondContact CA-O 3.42Å; D124-T128 PolarHBondContact N-O 3.38Å; D124-T128 WeakPolarHBondContact OD1-CB 3.34Å; D124-T128 PolarHBondContact OD1-N 2.95Å; D124-T128 WeakPolarHBondContact OD2-CB 3.3Å; T128-I130 HydrophobicContact CG2-CD1 4.48Å; T128-I130 HydrophobicContact CG2-CG1 4.06Å; T128-K153 HydrophobicContact CG2-CD 4.34Å; T128-K153 HydrophobicContact CG2-CG 3.97Å; T128-Q155 PolarHBondContact OG1-OE1 2.9Å
129V95.5Very high91.8Very high0 Ų014 Ų140%08%0.08CC..EExtended strand (participates in β ladder)trans-109.5135.1169.7179.50000109.8M121 S122 K153 F154 M156 I162M121-V129 HydrophobicContact CG-CG1 3.93Å; M121-V129 HydrophobicContact SD-CG1 4.16Å; S122-V129 CarbonylContact O-C 3.58Å; S122-V129 VanDerWaalsContact O-CA 3.29Å; S122-V129 WeakPolarHBondContact O-CA 3.33Å; V129-K153 WeakPolarHBondContact O-CA 3.44Å; V129-F154 HydrophobicContact CB-CD2 4.2Å; V129-F154 HydrophobicContact CB-CE1 4.09Å; V129-F154 HydrophobicContact CB-CE2 3.73Å; V129-F154 HydrophobicContact CB-CZ 3.67Å; V129-F154 HydrophobicContact CG1-CE1 3.87Å; V129-F154 HydrophobicContact CG1-CE2 4.09Å; V129-F154 HydrophobicContact CG1-CZ 3.51Å; V129-F154 HydrophobicContact CG2-CE2 4.11Å; V129-F154 HydrophobicContact CG2-CZ 4.36Å; V129-F154 PolarHBondContact N-O 3.1Å; V129-F154 PolarHBondContact O-N 2.85Å; V129-M156 HydrophobicContact CB-CE 4.31Å; V129-M156 HydrophobicContact CG2-CE 3.55Å; V129-I162 HydrophobicContact CG2-CD1 3.49Å; V129-I162 VanDerWaalsContact CG2-CD1 3.49Å
130I95.5Very high91.1Very high0 Ų014.7 Ų14.70%08%0.084CC..EExtended strand (participates in β ladder)trans-123.7134.8175.9-53.4-179.2000109.2M121 S122 T128 W132 I150 K153M121-I130 WeakPolarHBondContact CA-O 3.49Å; S122-I130 PolarHBondContact N-O 3.44Å; S122-I130 PolarHBondContact O-N 2.87Å; T128-I130 HydrophobicContact CG2-CD1 4.48Å; T128-I130 HydrophobicContact CG2-CG1 4.06Å; I130-W132 HydrophobicContact CB-CZ2 3.98Å; I130-W132 HydrophobicContact CD1-CH2 4.36Å; I130-W132 HydrophobicContact CD1-CZ2 3.84Å; I130-W132 HydrophobicContact CG1-CZ2 4.5Å; I130-W132 HydrophobicContact CG2-CD2 3.84Å; I130-W132 HydrophobicContact CG2-CE3 4.42Å; I130-W132 HydrophobicContact CG2-CG 4.29Å; I130-W132 HydrophobicContact CG2-CH2 4.21Å; I130-W132 HydrophobicContact CG2-CZ2 3.59Å; I130-I150 HydrophobicContact CG2-CD1 4.45Å; I130-I150 HydrophobicContact CG2-CG1 4.17Å; I130-I150 HydrophobicContact CG2-CG2 3.8Å; I130-K153 HydrophobicContact CD1-CD 4.13Å; I130-K153 HydrophobicContact CD1-CG 4.5Å; I130-K153 HydrophobicContact CG1-CB 4.37Å; I130-K153 HydrophobicContact CG1-CD 4.21Å; I130-K153 HydrophobicContact CG1-CG 4.02Å
131I94.9Very high90Very high0 Ų017.6 Ų17.60%010%0.103CC..EExtended strand (participates in β ladder)trans-107.8121.4172.1-51.5164.7000107.8I151 N152 F154 L183 L185 V198I131-I151 HydrophobicContact CB-CB 4.24Å; I131-I151 HydrophobicContact CG2-CB 4.12Å; I131-I151 HydrophobicContact CG2-CD1 4.03Å; I131-I151 PolarHBondContact O-N 2.75Å; I131-N152 HydrophobicContact CD1-CB 4.14Å; I131-N152 PolarHBondContact N-O 3.21Å; I131-F154 HydrophobicContact CD1-CE1 4.02Å; I131-F154 HydrophobicContact CG1-CE1 4.28Å; I131-L183 HydrophobicContact CG2-CD1 4.15Å; I131-L185 HydrophobicContact CD1-CD1 3.25Å; I131-L185 HydrophobicContact CG1-CD1 3.86Å; I131-V198 HydrophobicContact CD1-CG2 3.79Å
132W93.6Very high88.3Confident8 Ų820.1 Ų20.13%0.0312%0.121CC..EExtended strand (participates in β ladder)trans-109.2145.5-179.4-43.580.6000109.7I56 L87 P88 F119 L120 S122 I130 W148 H149 I150I56-W132 HydrophobicContact CD1-CD2 4.35Å; I56-W132 VanDerWaalsContact CD1-CE2 3.44Å; I56-W132 HydrophobicContact CD1-CZ2 3.59Å; L87-W132 HydrophobicContact CB-CH2 4.25Å; L87-W132 HydrophobicContact CB-CZ3 4.15Å; L87-W132 HydrophobicContact CD1-CD2 4.47Å; L87-W132 HydrophobicContact CD1-CE3 4.29Å; P88-W132 WeakPolarHBondContact O-CH2 3.33Å; F119-W132 VanDerWaalsContact CA-O 3.31Å; F119-W132 WeakPolarHBondContact CA-O 3.24Å; L120-W132 HydrophobicContact CB-CB 4.14Å; L120-W132 HydrophobicContact CB-CG 4.49Å; L120-W132 PolarHBondContact N-O 2.6Å; L120-W132 VanDerWaalsContact O-CD1 3.3Å; L120-W132 PolarHBondContact O-N 3.43Å; S122-W132 PolarHBondContact OG-NE1 3.36Å; I130-W132 HydrophobicContact CB-CZ2 3.98Å; I130-W132 HydrophobicContact CD1-CH2 4.36Å; I130-W132 HydrophobicContact CD1-CZ2 3.84Å; I130-W132 HydrophobicContact CG1-CZ2 4.5Å; I130-W132 HydrophobicContact CG2-CD2 3.84Å; I130-W132 HydrophobicContact CG2-CE3 4.42Å; I130-W132 HydrophobicContact CG2-CG 4.29Å; I130-W132 HydrophobicContact CG2-CH2 4.21Å; I130-W132 HydrophobicContact CG2-CZ2 3.59Å; W132-W148 HydrophobicContact CB-CE3 3.71Å; W132-W148 HydrophobicContact CB-CZ3 3.63Å; W132-H149 CarbonylContact C-O 3.57Å; W132-H149 WeakPolarHBondContact CA-O 3.34Å; W132-I150 HydrophobicContact CE3-CD1 4.46Å; W132-I150 HydrophobicContact CE3-CG1 3.75Å; W132-I150 HydrophobicContact CH2-CD1 4.27Å; W132-I150 HydrophobicContact CH2-CG1 4.4Å; W132-I150 HydrophobicContact CZ3-CD1 3.9Å; W132-I150 HydrophobicContact CZ3-CG1 3.68Å
133A91.2Very high86.3Confident0 Ų025.1 Ų25.10%015%0.148CC..EExtended strand (participates in β ladder)trans-129.8145.616800000111.3I117 C118 F119 W148 H149 I151 L204I117-A133 HydrophobicContact CG2-CB 3.87Å; C118-A133 WeakPolarHBondContact O-CA 3.36Å; F119-A133 HydrophobicContact CD1-CB 3.91Å; F119-A133 HydrophobicContact CE1-CB 4Å; A133-W148 WeakPolarHBondContact O-CA 3.43Å; A133-H149 PolarHBondContact N-O 3.11Å; A133-H149 PolarHBondContact O-N 3.41Å; A133-I151 HydrophobicContact CB-CD1 3.36Å; A133-I151 HydrophobicContact CB-CG1 3.9Å; A133-L204 HydrophobicContact CB-CD2 4.38Å
134C88.8Confident84.3Confident2 Ų229.8 Ų29.81%0.01417%0.17CC..EExtended strand (participates in β ladder)trans-143.8146.5173.1-171.80000109.8I117 C118 T136 W148I117-C134 WeakPolarHBondContact CA-O 3.45Å; I117-C134 WeakPolarHBondContact CG2-O 3.39Å; C118-C134 PolarHBondContact N-O 3.26Å; C118-C134 PolarHBondContact O-N 3.04Å; C134-T136 PolarHBondContact O-N 3.31Å; C134-W148 HydrophobicContact CB-CD2 3.6Å; C134-W148 HydrophobicContact CB-CE3 3.62Å; C134-W148 HydrophobicContact CB-CG 4.26Å; C134-W148 HydrophobicContact CB-CH2 3.92Å; C134-W148 HydrophobicContact CB-CZ2 3.87Å; C134-W148 HydrophobicContact CB-CZ3 3.78Å
135L86.2Confident82.4Confident57 Ų5731.4 Ų31.430%0.29818%0.179SC..EExtended strand (participates in β ladder)trans-61.9131.6167.8-89.2167.9000110.2E137 S138 L139 L205L135-E137 VanDerWaalsContact C-N 3.26Å; L135-E137 PolarHBondContact O-N 2.66Å; L135-S138 WeakPolarHBondContact CB-OG 3.46Å; L135-S138 WeakPolarHBondContact O-CB 3.42Å; L135-S138 PolarHBondContact O-N 3.04Å; L135-S138 VanDerWaalsContact O-N 3.14Å; L135-L139 PolarHBondContact O-N 3.34Å; L135-L205 HydrophobicContact CD1-CD1 4.19Å; L135-L205 HydrophobicContact CD1-CD2 4.23Å; L135-L205 HydrophobicContact CD2-CD1 3.3Å; L135-L205 HydrophobicContact CD2-CD2 4.4Å; L135-L205 HydrophobicContact CD2-CG 4.46Å; L135-L205 HydrophobicContact CG-CD1 3.66Å; L135-L205 HydrophobicContact CG-CD2 3.81Å; L135-L205 HydrophobicContact CG-CG 4.37Å
136T84.9Confident80.6Confident6 Ų634.3 Ų34.34%0.03719%0.189CC..Hα-helixtrans-57-40.4178.5-69.10000111.8V36 H115 A116 C118 C134 L139 I140V36-T136 HydrophobicContact CG1-CG2 3.2Å; H115-T136 PolarHBondContact O-OG1 2.87Å; A116-T136 WeakPolarHBondContact O-CB 3.33Å; A116-T136 PolarHBondContact O-N 3.37Å; A116-T136 PolarHBondContact O-OG1 2.97Å; C118-T136 PolarHBondContact SG-OG1 2.98Å; C134-T136 PolarHBondContact O-N 3.31Å; T136-L139 WeakPolarHBondContact O-CB 3.19Å; T136-L139 PolarHBondContact O-N 2.95Å; T136-I140 HydrophobicContact CG2-CD1 4.3Å; T136-I140 WeakPolarHBondContact O-CG1 3.43Å; T136-I140 PolarHBondContact O-N 2.72Å
137E81.5Confident79.8Confident89 Ų8932.2 Ų32.242%0.41617%0.174SC..Hα-helixtrans-66.1-41.5177.7-63.5-172.3162.100112.6S39 N40 L135 L139 I140 C141S39-E137 PolarHBondContact OG-OE1 3.42Å; N40-E137 PolarHBondContact ND2-OE1 2.92Å; L135-E137 VanDerWaalsContact C-N 3.26Å; L135-E137 PolarHBondContact O-N 2.66Å; E137-L139 VanDerWaalsContact C-N 3.31Å; E137-L139 PolarHBondContact O-N 3.01Å; E137-I140 PolarHBondContact O-N 2.86Å; E137-C141 WeakPolarHBondContact O-CB 3.28Å; E137-C141 PolarHBondContact O-N 2.95Å
138S82.2Confident79.5Confident19 Ų1933.8 Ų33.813%0.13318%0.18CC..Hα-helixtrans-64.7-37.5176-61.10000112.1L135 I140 C141 N147L135-S138 WeakPolarHBondContact CB-OG 3.46Å; L135-S138 WeakPolarHBondContact O-CB 3.42Å; L135-S138 PolarHBondContact O-N 3.04Å; L135-S138 VanDerWaalsContact O-N 3.14Å; S138-I140 VanDerWaalsContact C-N 3.25Å; S138-I140 PolarHBondContact O-N 3.37Å; S138-C141 CarbonylContact O-C 3.57Å; S138-C141 PolarHBondContact O-N 3.19Å; S138-N147 WeakPolarHBondContact CB-ND2 3.36Å; S138-N147 PolarHBondContact OG-ND2 2.9Å
139L83.1Confident79Confident3 Ų335 Ų352%0.01619%0.185CC..Hα-helixtrans-62.3-36.8176.1-166.572.2000111.1V36 I47 L58 K60 W99 C118 L135 T136 E137 W148V36-L139 HydrophobicContact CG2-CD2 4.21Å; I47-L139 HydrophobicContact CD1-CB 4.47Å; I47-L139 HydrophobicContact CD1-CD1 4.3Å; I47-L139 HydrophobicContact CD1-CD2 3.51Å; I47-L139 HydrophobicContact CD1-CG 3.43Å; I47-L139 VanDerWaalsContact CD1-CG 3.43Å; L58-L139 HydrophobicContact CD1-CD1 4.45Å; K60-L139 WeakPolarHBondContact CE-O 3.39Å; K60-L139 PolarHBondContact NZ-O 2.66Å; W99-L139 HydrophobicContact CH2-CD1 4.3Å; W99-L139 HydrophobicContact CH2-CD2 4.09Å; C118-L139 HydrophobicContact CB-CD2 4.21Å; L135-L139 PolarHBondContact O-N 3.34Å; T136-L139 WeakPolarHBondContact O-CB 3.19Å; T136-L139 PolarHBondContact O-N 2.95Å; E137-L139 VanDerWaalsContact C-N 3.31Å; E137-L139 PolarHBondContact O-N 3.01Å; L139-W148 HydrophobicContact CD1-CH2 4.25Å; L139-W148 HydrophobicContact CD1-CZ2 3.43Å; L139-W148 VanDerWaalsContact CD1-CZ2 3.43Å
140I78.4Confident78.8Confident14 Ų1438.3 Ų38.37%0.07220%0.202CC..Hα-helixtrans-74.9-43.3176.7-67.7165.1000111.4V36 E45 K60 T136 E137 S138 S142V36-I140 HydrophobicContact CG1-CD1 4.28Å; E45-I140 HydrophobicContact CB-CG1 4.43Å; E45-I140 HydrophobicContact CG-CG1 4.29Å; E45-I140 HydrophobicContact CG-CG2 4.07Å; K60-I140 VanDerWaalsContact NZ-C 3.33Å; K60-I140 PolarHBondContact NZ-O 2.55Å; T136-I140 HydrophobicContact CG2-CD1 4.3Å; T136-I140 WeakPolarHBondContact O-CG1 3.43Å; T136-I140 PolarHBondContact O-N 2.72Å; E137-I140 PolarHBondContact O-N 2.86Å; S138-I140 VanDerWaalsContact C-N 3.25Å; S138-I140 PolarHBondContact O-N 3.37Å; I140-S142 PolarHBondContact O-N 3.35Å
141C70.5Confident78.4Confident61 Ų6138.5 Ų38.541%0.41220%0.203SC..SBendtrans-84.992.6179.6-70.40000111E137 S138 N143E137-C141 WeakPolarHBondContact O-CB 3.28Å; E137-C141 PolarHBondContact O-N 2.95Å; S138-C141 CarbonylContact O-C 3.57Å; S138-C141 PolarHBondContact O-N 3.19Å; C141-N143 PolarHBondContact O-N 2.7Å
142S61.1Low78.2Confident54 Ų5439.5 Ų39.538%0.37821%0.208SC..THydrogen-bonded Turntrans-56.4-1.6-173.455.60000117.8I140I140-S142 PolarHBondContact O-N 3.35Å
143N56.7Low78.2Confident104 Ų10443.2 Ų43.256%0.55623%0.225SC*.THydrogen-bonded Turntrans-91.5-7.4-167.9-68.4-5.8000113.8C141C141-N143 PolarHBondContact O-N 2.7Å
144E54.3Low78.2Confident99 Ų9944.7 Ų44.746%0.46323%0.231SC..  trans-120.298-172.9-63.1-171.2175.300112.2E146 N147E144-E146 VanDerWaalsContact C-N 3.28Å; E144-E146 PolarHBondContact O-N 2.84Å; E144-N147 WeakPolarHBondContact CB-ND2 3.46Å; E144-N147 PolarHBondContact OE2-ND2 2.95Å
145T54.7Low78.3Confident34 Ų3448.2 Ų48.221%0.20925%0.247CC..THydrogen-bonded Turntrans-68.8-19.1-177.857.50000114.2K8 Q85 D910K8-T145 PolarHBondContact NZ-OG1 2.97Å; Q85-T145 PolarHBondContact NE2-O 3.25Å; Q85-T145 VanDerWaalsContact NE2-O 3.17Å; T145-D910 WeakPolarHBondContact CB-OD2 3.27Å; T145-D910 VanDerWaalsContact CG2-OD2 3.26Å; T145-D910 WeakPolarHBondContact CG2-OD2 3.06Å
146E57.5Low78.5Confident94 Ų9445.7 Ų45.744%0.43923%0.234SC..THydrogen-bonded Turntrans-95.17.4-167.1-91-178.9-152.800116K8 E144 W148K8-E146 VanDerWaalsContact CE-OE1 3.28Å; K8-E146 WeakPolarHBondContact CE-OE1 3.14Å; K8-E146 IonicContact NZ-OE1 3.53Å; K8-E146 PolarHBondContact NZ-OE1 2.84Å; E144-E146 VanDerWaalsContact C-N 3.28Å; E144-E146 PolarHBondContact O-N 2.84Å; E146-W148 VanDerWaalsContact C-N 3.29Å; E146-W148 PolarHBondContact O-N 2.99Å
147N76.5Confident78.5Confident20 Ų2048.4 Ų48.411%0.10725%0.252CS..  trans-89.24.7-172.2-66.9-29.3000114.2S138 E144S138-N147 WeakPolarHBondContact CB-ND2 3.36Å; S138-N147 PolarHBondContact OG-ND2 2.9Å; E144-N147 WeakPolarHBondContact CB-ND2 3.46Å; E144-N147 PolarHBondContact OE2-ND2 2.95Å
148W86.7Confident78.7Confident32 Ų3252 Ų5212%0.12127%0.274CS..EExtended strand (participates in β ladder)trans-91127.2175.5-76.395.5000111.3L58 L87 W99 L120 W132 A133 C134 L139 E146L58-W148 HydrophobicContact CD1-CH2 4.47Å; L58-W148 HydrophobicContact CD1-CZ2 3.41Å; L58-W148 VanDerWaalsContact CD1-CZ2 3.41Å; L58-W148 HydrophobicContact CD2-CZ2 4.37Å; L87-W148 HydrophobicContact CD1-CD2 3.89Å; L87-W148 HydrophobicContact CD1-CE3 4.11Å; L87-W148 HydrophobicContact CD1-CG 4.34Å; L87-W148 HydrophobicContact CD1-CH2 4.4Å; L87-W148 HydrophobicContact CD1-CZ2 4.23Å; L87-W148 HydrophobicContact CD1-CZ3 4.37Å; L87-W148 HydrophobicContact CD2-CB 4.25Å; L87-W148 HydrophobicContact CD2-CD2 4.1Å; L87-W148 HydrophobicContact CD2-CG 3.71Å; W99-W148 AromaticContact CH2-CH2 3.62Å; W99-W148 HydrophobicContact CH2-CH2 3.62Å; W99-W148 HydrophobicContact CH2-CZ2 4.12Å; W99-W148 AromaticContact CZ3-CH2 3.82Å; W99-W148 HydrophobicContact CZ3-CH2 3.82Å; L120-W148 HydrophobicContact CB-CH2 4.37Å; L120-W148 HydrophobicContact CB-CZ3 4.21Å; W132-W148 HydrophobicContact CB-CE3 3.71Å; W132-W148 HydrophobicContact CB-CZ3 3.63Å; A133-W148 WeakPolarHBondContact O-CA 3.43Å; C134-W148 HydrophobicContact CB-CD2 3.6Å; C134-W148 HydrophobicContact CB-CE3 3.62Å; C134-W148 HydrophobicContact CB-CG 4.26Å; C134-W148 HydrophobicContact CB-CH2 3.92Å; C134-W148 HydrophobicContact CB-CZ2 3.87Å; C134-W148 HydrophobicContact CB-CZ3 3.78Å; L139-W148 HydrophobicContact CD1-CH2 4.25Å; L139-W148 HydrophobicContact CD1-CZ2 3.43Å; L139-W148 VanDerWaalsContact CD1-CZ2 3.43Å; E146-W148 VanDerWaalsContact C-N 3.29Å; E146-W148 PolarHBondContact O-N 2.99Å
149H86.4Confident79Confident38 Ų3856 Ų5618%0.17629%0.293CS..EExtended strand (participates in β ladder)trans-116.7133.5177.2-61.4-72.1000110W132 A133 I151W132-H149 CarbonylContact C-O 3.57Å; W132-H149 WeakPolarHBondContact CA-O 3.34Å; A133-H149 PolarHBondContact N-O 3.11Å; A133-H149 PolarHBondContact O-N 3.41Å; H149-I151 PolarHBondContact O-N 3.2Å
150I89.7Confident79.3Confident70 Ų7056.3 Ų56.336%0.35930%0.296SS..EExtended strand (participates in β ladder)trans-83.3110.2168.4-63.6172.6000107.3I130 W132 K153 L211I130-I150 HydrophobicContact CG2-CD1 4.45Å; I130-I150 HydrophobicContact CG2-CG1 4.17Å; I130-I150 HydrophobicContact CG2-CG2 3.8Å; W132-I150 HydrophobicContact CE3-CD1 4.46Å; W132-I150 HydrophobicContact CE3-CG1 3.75Å; W132-I150 HydrophobicContact CH2-CD1 4.27Å; W132-I150 HydrophobicContact CH2-CG1 4.4Å; W132-I150 HydrophobicContact CZ3-CD1 3.9Å; W132-I150 HydrophobicContact CZ3-CG1 3.68Å; I150-K153 HydrophobicContact CG2-CB 4.31Å; I150-L211 HydrophobicContact CG2-CD2 4.31Å
151I88.8Confident80Confident4 Ų459.2 Ų59.22%0.02131%0.311CS..EExtended strand (participates in β ladder)trans-72.5-45.1177.9-70.6166000110.4F119 I131 A133 H149 V198 I200 L204 L211 L212F119-I151 HydrophobicContact CD1-CD1 3.44Å; F119-I151 VanDerWaalsContact CD1-CD1 3.44Å; F119-I151 HydrophobicContact CE1-CD1 3.41Å; F119-I151 VanDerWaalsContact CE1-CD1 3.41Å; I131-I151 HydrophobicContact CB-CB 4.24Å; I131-I151 HydrophobicContact CG2-CB 4.12Å; I131-I151 HydrophobicContact CG2-CD1 4.03Å; I131-I151 PolarHBondContact O-N 2.75Å; A133-I151 HydrophobicContact CB-CD1 3.36Å; A133-I151 HydrophobicContact CB-CG1 3.9Å; H149-I151 PolarHBondContact O-N 3.2Å; I151-V198 HydrophobicContact CG2-CG1 4.03Å; I151-I200 HydrophobicContact CD1-CD1 4.35Å; I151-I200 HydrophobicContact CG2-CD1 4.48Å; I151-L204 HydrophobicContact CD1-CD2 4.33Å; I151-L211 CarbonylContact O-C 3.49Å; I151-L211 VanDerWaalsContact O-CA 3.24Å; I151-L211 WeakPolarHBondContact O-CA 3.42Å; I151-L212 HydrophobicContact CG2-CB 3.91Å; I151-L212 HydrophobicContact CG2-CD1 3.83Å; I151-L212 HydrophobicContact CG2-CG 4.13Å; I151-L212 PolarHBondContact O-N 3.07Å
152N90.6Very high81.1Confident21 Ų2156.3 Ų56.311%0.11229%0.292CS..EExtended strand (participates in β ladder)trans-154.6154174.7-155.1-28.9000110.1I131 L212 C214I131-N152 HydrophobicContact CD1-CB 4.14Å; I131-N152 PolarHBondContact N-O 3.21Å; N152-L212 PolarHBondContact ND2-O 3.15Å; N152-C214 WeakPolarHBondContact ND2-CB 3.49Å; N152-C214 PolarHBondContact ND2-N 2.82Å
153K92.1Very high82.7Confident87 Ų8755 Ų5538%0.37828%0.281SS..EExtended strand (participates in β ladder)trans-135.9118171.4174.1170-176.41700107.4G89 T128 V129 I130 I150G89-K153 PolarHBondContact O-NZ 3.28Å; T128-K153 HydrophobicContact CG2-CD 4.34Å; T128-K153 HydrophobicContact CG2-CG 3.97Å; V129-K153 WeakPolarHBondContact O-CA 3.44Å; I130-K153 HydrophobicContact CD1-CD 4.13Å; I130-K153 HydrophobicContact CD1-CG 4.5Å; I130-K153 HydrophobicContact CG1-CB 4.37Å; I130-K153 HydrophobicContact CG1-CD 4.21Å; I130-K153 HydrophobicContact CG1-CG 4.02Å; I150-K153 HydrophobicContact CG2-CB 4.31Å
154F91.2Very high84.6Confident30 Ų3050.7 Ų50.713%0.13226%0.258CS..EExtended strand (participates in β ladder)trans-136.1160.6-179.158.3-86.6000111.3V129 I131 M156 W196 C214V129-F154 HydrophobicContact CB-CD2 4.2Å; V129-F154 HydrophobicContact CB-CE1 4.09Å; V129-F154 HydrophobicContact CB-CE2 3.73Å; V129-F154 HydrophobicContact CB-CZ 3.67Å; V129-F154 HydrophobicContact CG1-CE1 3.87Å; V129-F154 HydrophobicContact CG1-CE2 4.09Å; V129-F154 HydrophobicContact CG1-CZ 3.51Å; V129-F154 HydrophobicContact CG2-CE2 4.11Å; V129-F154 HydrophobicContact CG2-CZ 4.36Å; V129-F154 PolarHBondContact N-O 3.1Å; V129-F154 PolarHBondContact O-N 2.85Å; I131-F154 HydrophobicContact CD1-CE1 4.02Å; I131-F154 HydrophobicContact CG1-CE1 4.28Å; F154-M156 HydrophobicContact CD2-CE 3.59Å; F154-M156 HydrophobicContact CE2-CE 3.36Å; F154-W196 HydrophobicContact CD2-CZ2 4.16Å; F154-W196 AromaticContact CE2-CD2 3.82Å; F154-W196 HydrophobicContact CE2-CD2 3.82Å; F154-W196 AromaticContact CE2-CE2 3.53Å; F154-W196 HydrophobicContact CE2-CE3 4.03Å; F154-W196 AromaticContact CE2-CH2 3.7Å; F154-W196 HydrophobicContact CE2-CH2 3.7Å; F154-W196 AromaticContact CE2-CZ2 3.49Å; F154-W196 HydrophobicContact CE2-CZ2 3.49Å; F154-W196 VanDerWaalsContact CE2-CZ2 3.49Å; F154-W196 AromaticContact CE2-CZ3 3.96Å; F154-W196 HydrophobicContact CE2-CZ3 3.96Å; F154-W196 AromaticContact CZ-CD2 3.99Å; F154-W196 HydrophobicContact CZ-CD2 3.99Å; F154-W196 HydrophobicContact CZ-CE3 4.02Å; F154-W196 HydrophobicContact CZ-CH2 4.41Å; F154-W196 HydrophobicContact CZ-CZ2 4.42Å; F154-W196 HydrophobicContact CZ-CZ3 4.22Å; F154-C214 HydrophobicContact CD1-CB 4.45Å
155Q91.5Very high86.6Confident77 Ų7746.3 Ų46.336%0.3624%0.238SC..EExtended strand (participates in β ladder)trans-109.6134.3-174.5-172.461.522.500109.5C126 T128 N159C126-Q155 PolarHBondContact O-NE2 3.15Å; T128-Q155 PolarHBondContact OG1-OE1 2.9Å; Q155-N159 VanDerWaalsContact CG-OD1 3.28Å; Q155-N159 WeakPolarHBondContact CG-OD1 3.18Å; Q155-N159 PolarHBondContact NE2-OD1 3.09Å
156M89.6Confident88.5Confident3 Ų344.9 Ų44.92%0.01523%0.229CC..  trans-61.7144.2173-73.7-529400110.6G127 V129 F154 N158 N159 S160 I162 A187 A189 W196G127-M156 WeakPolarHBondContact O-CB 3.36Å; G127-M156 VanDerWaalsContact O-CG 3.31Å; G127-M156 WeakPolarHBondContact O-CG 3.48Å; G127-M156 PolarHBondContact O-N 2.88Å; V129-M156 HydrophobicContact CB-CE 4.31Å; V129-M156 HydrophobicContact CG2-CE 3.55Å; F154-M156 HydrophobicContact CD2-CE 3.59Å; F154-M156 HydrophobicContact CE2-CE 3.36Å; M156-N158 PolarHBondContact O-N 3.21Å; M156-N159 PolarHBondContact O-N 3.05Å; M156-S160 WeakPolarHBondContact CB-OG 2.99Å; M156-I162 HydrophobicContact CG-CD1 4.09Å; M156-I162 HydrophobicContact CG-CG1 3.81Å; M156-A187 HydrophobicContact SD-CB 4.38Å; M156-A189 HydrophobicContact CG-CB 4.33Å; M156-W196 HydrophobicContact CE-CH2 3.2Å; M156-W196 HydrophobicContact CE-CZ2 3.35Å; M156-W196 HydrophobicContact CE-CZ3 4.28Å; M156-W196 HydrophobicContact SD-CH2 3.49Å; M156-W196 WeakPolarHBondContact SD-CH2 3.47Å; M156-W196 HydrophobicContact SD-CZ2 3.87Å
157P85.9Confident90.2Very high64 Ų6440.6 Ų40.642%0.41621%0.21SC..G310 helixtrans-53.3135.4171.7-26.737.6000111.1N159 S160 H194P157-N159 PolarHBondContact O-N 2.9Å; P157-N159 VanDerWaalsContact O-N 3.12Å; P157-S160 PolarHBondContact O-N 2.83Å; P157-S160 PolarHBondContact O-OG 3.5Å; P157-H194 WeakPolarHBondContact CG-NE2 3.28Å
158N85.9Confident90.9Very high164 Ų16440.2 Ų40.288%0.87721%0.207SC*.G310 helixtrans59.314.6-177.6-54.1-29.6000115.7M156 S160M156-N158 PolarHBondContact O-N 3.21Å; N158-S160 PolarHBondContact O-N 2.59Å
159N87.9Confident91.1Very high102 Ų10238.7 Ų38.755%0.54520%0.201SC..G310 helixtrans55.938.6-175.6-54.3-22000112.5C126 Q155 M156 P157C126-N159 WeakPolarHBondContact O-CB 3.32Å; Q155-N159 VanDerWaalsContact CG-OD1 3.28Å; Q155-N159 WeakPolarHBondContact CG-OD1 3.18Å; Q155-N159 PolarHBondContact NE2-OD1 3.09Å; M156-N159 PolarHBondContact O-N 3.05Å; P157-N159 PolarHBondContact O-N 2.9Å; P157-N159 VanDerWaalsContact O-N 3.12Å
160S90.4Very high91.1Very high11 Ų1138.3 Ų38.38%0.07720%0.199CC..PPolyproline II helixtrans-61.1148.4178.449.50000112.1G127 M156 P157 N158 I162 A189 D190G127-S160 WeakPolarHBondContact CA-O 3.23Å; M156-S160 WeakPolarHBondContact CB-OG 2.99Å; P157-S160 PolarHBondContact O-N 2.83Å; P157-S160 PolarHBondContact O-OG 3.5Å; N158-S160 PolarHBondContact O-N 2.59Å; S160-I162 PolarHBondContact O-N 3.28Å; S160-A189 VanDerWaalsContact OG-CB 3.28Å; S160-A189 WeakPolarHBondContact OG-CB 3.38Å; S160-D190 WeakPolarHBondContact CA-OD2 3.34Å; S160-D190 WeakPolarHBondContact CB-OD2 3.34Å
161I91.9Very high90.6Very high75 Ų7535.2 Ų35.239%0.38518%0.184SC..PPolyproline II helixtrans-75.4125.1-177.7-59.7173.7000108.4N163 A189 D190I161-N163 PolarHBondContact O-N 2.83Å; I161-A189 WeakPolarHBondContact O-CA 3.28Å; I161-A189 WeakPolarHBondContact O-CB 3.17Å; I161-D190 PolarHBondContact N-OD2 2.84Å; I161-D190 PolarHBondContact O-N 2.93Å
162I94.7Very high90.1Very high0 Ų038.4 Ų38.40%021%0.207CC..EExtended strand (participates in β ladder)trans-79.1123.1178.7-59.4160.8000109.1R95 C96 V129 M156 S160 I165R95-I162 WeakPolarHBondContact CD-O 3.23Å; R95-I162 WeakPolarHBondContact CG-O 3.47Å; R95-I162 PolarHBondContact NE-O 2.89Å; C96-I162 WeakPolarHBondContact SG-CG2 3.34Å; V129-I162 HydrophobicContact CG2-CD1 3.49Å; V129-I162 VanDerWaalsContact CG2-CD1 3.49Å; M156-I162 HydrophobicContact CG-CD1 4.09Å; M156-I162 HydrophobicContact CG-CG1 3.81Å; S160-I162 PolarHBondContact O-N 3.28Å; I162-I165 HydrophobicContact CG2-CG2 3.54Å
163N93.9Very high89.3Confident27 Ų2739.8 Ų39.814%0.14422%0.218CC..EExtended strand (participates in β ladder)trans-97.5-38.7178-69-38.4000112.4R95 I161 A188 C227 L228R95-N163 PolarHBondContact NH2-OD1 3.38Å; I161-N163 PolarHBondContact O-N 2.83Å; N163-A188 PolarHBondContact N-O 3.12Å; N163-C227 WeakPolarHBondContact CB-O 3.42Å; N163-C227 PolarHBondContact ND2-O 3.11Å; N163-L228 WeakPolarHBondContact CB-O 3.4Å
164S95.5Very high88Confident13 Ų1340.5 Ų40.59%0.09122%0.222CC..EExtended strand (participates in β ladder)trans-152.6148.2-178.2-176.60000110.7A187 A188 L230S164-A187 WeakPolarHBondContact O-CA 3.42Å; S164-A188 PolarHBondContact N-O 3.32Å; S164-A188 PolarHBondContact O-N 3.18Å; S164-L230 WeakPolarHBondContact O-CD2 3.47Å; S164-L230 PolarHBondContact OG-N 2.84Å
165I96.4Very high86.6Confident6 Ų646.4 Ų46.43%0.03126%0.255CS..EExtended strand (participates in β ladder)trans-133.4146.7175.964177.1000109.2C96 R98 M121 I162 S186 A187C96-I165 HydrophobicContact CB-CD1 4.01Å; C96-I165 HydrophobicContact CB-CG1 3.86Å; C96-I165 VanDerWaalsContact SG-CG2 3.5Å; R98-I165 HydrophobicContact CB-CD1 4.11Å; R98-I165 HydrophobicContact CB-CG1 3.97Å; M121-I165 HydrophobicContact CB-CD1 4.16Å; M121-I165 HydrophobicContact CE-CB 3.53Å; M121-I165 HydrophobicContact CE-CD1 4.12Å; M121-I165 HydrophobicContact CE-CG1 3.96Å; M121-I165 HydrophobicContact CG-CD1 3.94Å; M121-I165 WeakPolarHBondContact O-CD1 3.39Å; M121-I165 HydrophobicContact SD-CB 4.39Å; I162-I165 HydrophobicContact CG2-CG2 3.54Å; I165-S186 WeakPolarHBondContact CA-O 3.46Å; I165-A187 HydrophobicContact CG2-CB 3.88Å
166D95.8Very high84.9Confident5 Ų545.2 Ų45.23%0.02725%0.251CS..EExtended strand (participates in β ladder)trans-155.7162.3171.1-151.913000111.2R98 M121 S186 L230 R231 R232R98-D166 IonicContact CZ-OD1 3.51Å; R98-D166 IonicContact NE-OD1 3.47Å; R98-D166 PolarHBondContact NE-OD1 3.4Å; R98-D166 IonicContact NH2-OD1 2.72Å; R98-D166 PolarHBondContact NH2-OD1 2.84Å; R98-D166 IonicContact NH2-OD2 2.7Å; M121-D166 WeakPolarHBondContact CE-O 3.36Å; D166-S186 PolarHBondContact N-O 2.89Å; D166-S186 PolarHBondContact O-N 2.76Å; D166-L230 HydrophobicContact CB-CD1 3.4Å; D166-L230 HydrophobicContact CB-CG 4.36Å; D166-R231 VanDerWaalsContact OD2-CA 3.28Å; D166-R231 WeakPolarHBondContact OD2-CA 3.22Å; D166-R231 WeakPolarHBondContact OD2-CD 3.36Å; D166-R231 IonicContact OD2-NH1 3.62Å; D166-R232 HydrophobicContact CB-CB 4.18Å; D166-R232 PolarHBondContact OD2-N 3.44Å
167G93.5Very high83.4Confident4 Ų456.2 Ų56.24%0.04129%0.293CS..EExtended strand (participates in β ladder)trans176.9173.6178.800000112.4F184G167-F184 CarbonylContact C-O 3.56Å; G167-F184 WeakPolarHBondContact CA-O 3.48Å
168Y91.4Very high81.9Confident11 Ų1154.7 Ų54.74%0.04328%0.283CS..EExtended strand (participates in β ladder)trans-152.6161.6177.758.7-103.2000110.3D101 C103 F170 F184 R232 H253D101-Y168 CarbonylContact O-C 3.55Å; D101-Y168 VanDerWaalsContact O-CA 3.3Å; D101-Y168 WeakPolarHBondContact O-CA 3.4Å; D101-Y168 WeakPolarHBondContact O-CB 3.42Å; C103-Y168 WeakPolarHBondContact SG-CD2 3.46Å; C103-Y168 VanDerWaalsContact SG-CE2 3.5Å; Y168-F170 HydrophobicContact CD2-CB 4.48Å; Y168-F170 HydrophobicContact CE2-CB 4.16Å; Y168-F170 HydrophobicContact CE2-CD2 4.34Å; Y168-F184 HydrophobicContact CD2-CD2 4.47Å; Y168-F184 HydrophobicContact CE1-CB 4.49Å; Y168-F184 HydrophobicContact CE2-CB 3.99Å; Y168-F184 AromaticContact CE2-CD2 3.58Å; Y168-F184 HydrophobicContact CE2-CD2 3.58Å; Y168-F184 HydrophobicContact CE2-CG 4.19Å; Y168-F184 PolarHBondContact N-O 2.82Å; Y168-F184 VanDerWaalsContact N-O 3.07Å; Y168-F184 PolarHBondContact O-N 3.08Å; Y168-R232 HydrophobicContact CD1-CG 4.31Å; Y168-R232 HydrophobicContact CE1-CG 3.82Å; Y168-R232 PolarHBondContact OH-NE 2.99Å; Y168-H253 AromaticContact CZ-ND1 3.74Å; Y168-H253 PolarHBondContact OH-CE1 3.3Å; Y168-H253 PolarHBondContact OH-ND1 3.17Å
169L89.1Confident81Confident0 Ų047.9 Ų47.90%025%0.248CC..EExtended strand (participates in β ladder)trans-91.3125170179.768.8000110.4D101 C103 F119 P171 L183 I200D101-L169 PolarHBondContact O-N 3.13Å; C103-L169 PolarHBondContact N-O 3.24Å; C103-L169 PolarHBondContact SG-O 3.35Å; F119-L169 HydrophobicContact CD2-CD2 4.47Å; F119-L169 HydrophobicContact CE2-CD1 4.45Å; F119-L169 HydrophobicContact CE2-CD2 3.91Å; L169-P171 WeakPolarHBondContact O-CD 3.22Å; L169-L183 HydrophobicContact CB-CD2 3.81Å; L169-L183 HydrophobicContact CD1-CD2 3.72Å; L169-L183 HydrophobicContact CD1-CG 4.09Å; L169-L183 HydrophobicContact CG-CD2 4.37Å; L169-I200 HydrophobicContact CD1-CG1 4.44Å
170F87.1Confident80.7Confident31 Ų3143.4 Ų43.414%0.13623%0.225CC..EExtended strand (participates in β ladder)trans-103.999169.8-163.2-86.2000108.9C103 F104 Y168 G181 T182 F184 W251C103-F170 HydrophobicContact CB-CD2 4.33Å; F104-F170 HydrophobicContact CZ-CZ 4.31Å; Y168-F170 HydrophobicContact CD2-CB 4.48Å; Y168-F170 HydrophobicContact CE2-CB 4.16Å; Y168-F170 HydrophobicContact CE2-CD2 4.34Å; F170-G181 CarbonylContact O-C 3.53Å; F170-G181 VanDerWaalsContact O-CA 3.26Å; F170-G181 WeakPolarHBondContact O-CA 3.19Å; F170-T182 PolarHBondContact N-O 2.94Å; F170-T182 PolarHBondContact O-N 3.01Å; F170-F184 HydrophobicContact CB-CD2 3.93Å; F170-F184 HydrophobicContact CB-CE2 3.76Å; F170-F184 HydrophobicContact CG-CE2 4.23Å; F170-W251 HydrophobicContact CE2-CB 4.31Å; F170-W251 AromaticContact CE2-CD2 3.72Å; F170-W251 HydrophobicContact CE2-CD2 3.72Å; F170-W251 HydrophobicContact CE2-CE3 4.12Å; F170-W251 AromaticContact CE2-CG 3.77Å; F170-W251 HydrophobicContact CE2-CG 3.77Å; F170-W251 AromaticContact CZ-CD1 3.66Å; F170-W251 HydrophobicContact CZ-CD2 4.07Å; F170-W251 AromaticContact CZ-CG 3.86Å; F170-W251 HydrophobicContact CZ-CG 3.86Å; F170-W251 AromaticContact CZ-NE1 3.76Å
171P79.6Confident80.4Confident5 Ų543 Ų433%0.03222%0.223CC..EExtended strand (participates in β ladder)trans-76.7159-173.429.1-29000111.9F104 L169 S173 S180F104-P171 HydrophobicContact CD2-CB 4.48Å; F104-P171 HydrophobicContact CD2-CG 3.21Å; F104-P171 HydrophobicContact CE2-CB 4.37Å; F104-P171 HydrophobicContact CE2-CG 3.32Å; F104-P171 HydrophobicContact CG-CG 4.23Å; F104-P171 HydrophobicContact CZ-CG 4.37Å; L169-P171 WeakPolarHBondContact O-CD 3.22Å; P171-S173 VanDerWaalsContact C-N 3.26Å; P171-S173 PolarHBondContact O-N 3.23Å; P171-S180 WeakPolarHBondContact CA-O 3.43Å
172S78.2Confident80.2Confident71 Ų7139.9 Ų39.950%0.49721%0.207SC..SBendtrans-62.9-28.6-172.242.70000114.2D176 S180S172-D176 PolarHBondContact OG-OD2 3.43Å; S172-S180 PolarHBondContact N-O 3.05Å; S172-S180 VanDerWaalsContact N-O 3.15Å; S172-S180 PolarHBondContact OG-O 3.4Å; S172-S180 PolarHBondContact OG-OG 3.32Å
173S72.7Confident80.1Confident49 Ų4939.9 Ų39.934%0.34321%0.207SC..SBendtrans-148154.6173.170.20000111.6P171 N175 D176P171-S173 VanDerWaalsContact C-N 3.26Å; P171-S173 PolarHBondContact O-N 3.23Å; S173-N175 PolarHBondContact O-N 3Å; S173-D176 PolarHBondContact O-N 2.95Å; S173-D176 WeakPolarHBondContact OG-CA 3.5Å; S173-D176 WeakPolarHBondContact OG-CB 3.26Å; S173-D176 PolarHBondContact OG-N 3.3Å; S173-D176 VanDerWaalsContact OG-N 3.12Å; S173-D176 PolarHBondContact OG-OD2 2.59Å
174E66.6Low80Confident103 Ų10338.6 Ų38.648%0.48120%0.2SC..THydrogen-bonded Turntrans-62.3-27.5-179.9-68.9-171.2169.100113F104 K236F104-E174 HydrophobicContact CD1-CG 4.22Å; F104-E174 HydrophobicContact CD2-CB 4.38Å; F104-E174 HydrophobicContact CD2-CG 4.24Å; F104-E174 HydrophobicContact CE1-CG 4.01Å; F104-E174 HydrophobicContact CE2-CB 4.41Å; F104-E174 HydrophobicContact CE2-CG 3.99Å; F104-E174 HydrophobicContact CG-CG 4.38Å; F104-E174 HydrophobicContact CZ-CG 3.9Å; E174-K236 VanDerWaalsContact OE1-CE 3.31Å; E174-K236 WeakPolarHBondContact OE1-CE 3.49Å; E174-K236 IonicContact OE1-NZ 3.38Å; E174-K236 PolarHBondContact OE1-NZ 2.93Å; E174-K236 IonicContact OE2-NZ 2.62Å; E174-K236 PolarHBondContact OE2-NZ 2.88Å
175N60.1Low79.9Confident154 Ų15438 Ų3882%0.82420%0.196SC*.THydrogen-bonded Turntrans-102.73.2179.8-72.8-28000113.2S173 R177S173-N175 PolarHBondContact O-N 3Å; N175-R177 PolarHBondContact O-N 2.93Å; N175-R177 VanDerWaalsContact O-N 3.08Å
176D56.9Low79.8Confident51 Ų5137.7 Ų37.727%0.27319%0.194SC..  trans-71110179.4-111.1-40.1000110.1S172 S173 S178S172-D176 PolarHBondContact OG-OD2 3.43Å; S173-D176 PolarHBondContact O-N 2.95Å; S173-D176 WeakPolarHBondContact OG-CA 3.5Å; S173-D176 WeakPolarHBondContact OG-CB 3.26Å; S173-D176 PolarHBondContact OG-N 3.3Å; S173-D176 VanDerWaalsContact OG-N 3.12Å; S173-D176 PolarHBondContact OG-OD2 2.59Å; D176-S178 VanDerWaalsContact OD1-CB 3.25Å; D176-S178 WeakPolarHBondContact OD1-CB 3.29Å; D176-S178 PolarHBondContact OD1-OG 2.58Å; D176-S178 PolarHBondContact OD2-OG 3.29Å
177R56.8Low79.8Confident235 Ų23537.4 Ų37.489%0.88719%0.193SC*.  trans-80.1-6.7156.5-65.2-172.8-179.6-1740111.6N175N175-R177 PolarHBondContact O-N 2.93Å; N175-R177 VanDerWaalsContact O-N 3.08Å
178S55.8Low79.9Confident31 Ų3137.2 Ų37.222%0.21719%0.191CC..SBendtrans-69.7141.9174.376.70000109.1D176 S180 Q202D176-S178 VanDerWaalsContact OD1-CB 3.25Å; D176-S178 WeakPolarHBondContact OD1-CB 3.29Å; D176-S178 PolarHBondContact OD1-OG 2.58Å; D176-S178 PolarHBondContact OD2-OG 3.29Å; S178-S180 PolarHBondContact O-N 3.03Å; S178-S180 PolarHBondContact OG-OG 2.74Å; S178-Q202 PolarHBondContact OG-NE2 3.31Å
179C66.9Low80Confident21 Ų2136.7 Ų36.714%0.14219%0.189CC..SBendtrans-72.617.1-169.4-61.40000113.9I117 I200I117-C179 HydrophobicContact CD1-CB 3.59Å; I117-C179 HydrophobicContact CG1-CB 4.13Å; C179-I200 VanDerWaalsContact O-CG2 3.28Å; C179-I200 WeakPolarHBondContact O-CG2 3.46Å
180S80.3Confident80Confident9 Ų939.4 Ų39.46%0.06320%0.204CC..  trans-95.5145.6-173.449.90000113.7P171 S172 S178 I200 Q202P171-S180 WeakPolarHBondContact CA-O 3.43Å; S172-S180 PolarHBondContact N-O 3.05Å; S172-S180 VanDerWaalsContact N-O 3.15Å; S172-S180 PolarHBondContact OG-O 3.4Å; S172-S180 PolarHBondContact OG-OG 3.32Å; S178-S180 PolarHBondContact O-N 3.03Å; S178-S180 PolarHBondContact OG-OG 2.74Å; S180-I200 VanDerWaalsContact CA-O 3.28Å; S180-I200 WeakPolarHBondContact CA-O 3.48Å; S180-I200 WeakPolarHBondContact CB-O 3.21Å; S180-Q202 VanDerWaalsContact CB-CG 3.47Å; S180-Q202 VanDerWaalsContact OG-CG 3.25Å; S180-Q202 WeakPolarHBondContact OG-CG 3.23Å
181G84.9Confident80.3Confident2 Ų239.9 Ų39.92%0.02121%0.209CC..EExtended strand (participates in β ladder)trans171.7-173.8-179.700000112.3F170 I200F170-G181 CarbonylContact O-C 3.53Å; F170-G181 VanDerWaalsContact O-CA 3.26Å; F170-G181 WeakPolarHBondContact O-CA 3.19Å; G181-I200 PolarHBondContact N-O 3.46Å; G181-I200 WeakPolarHBondContact O-CA 3.33Å; G181-I200 WeakPolarHBondContact O-CB 3.45Å; G181-I200 PolarHBondContact O-N 3.39Å
182T88.8Confident81Confident9 Ų940.3 Ų40.36%0.05521%0.212CC..EExtended strand (participates in β ladder)trans-115.5122.3172.9-58.70000108.8F170 F184 E280F170-T182 PolarHBondContact N-O 2.94Å; F170-T182 PolarHBondContact O-N 3.01Å; T182-F184 HydrophobicContact CG2-CD2 4.37Å; T182-F184 HydrophobicContact CG2-CE1 4.15Å; T182-F184 HydrophobicContact CG2-CE2 3.96Å; T182-F184 HydrophobicContact CG2-CZ 3.83Å; T182-E280 PolarHBondContact OG1-OE2 3.15Å
183L90.8Very high81.8Confident0 Ų036.9 Ų36.90%019%0.188CC..EExtended strand (participates in β ladder)trans-78.1124.5167.6-71.6174.8000108.8L100 F119 I131 L169 L185 S197 V198 I200L100-L183 HydrophobicContact CD1-CD1 4.42Å; L100-L183 HydrophobicContact CD1-CD2 3.87Å; F119-L183 HydrophobicContact CD1-CD1 3.83Å; F119-L183 HydrophobicContact CD1-CD2 4.45Å; F119-L183 HydrophobicContact CD2-CD2 4.26Å; F119-L183 HydrophobicContact CE1-CD1 4.1Å; F119-L183 HydrophobicContact CG-CD1 4.32Å; F119-L183 HydrophobicContact CG-CD2 4.17Å; I131-L183 HydrophobicContact CG2-CD1 4.15Å; L169-L183 HydrophobicContact CB-CD2 3.81Å; L169-L183 HydrophobicContact CD1-CD2 3.72Å; L169-L183 HydrophobicContact CD1-CG 4.09Å; L169-L183 HydrophobicContact CG-CD2 4.37Å; L183-L185 HydrophobicContact CB-CD2 4.27Å; L183-L185 HydrophobicContact CB-CG 4.37Å; L183-S197 CarbonylContact O-C 3.35Å; L183-S197 VanDerWaalsContact O-CA 3.24Å; L183-S197 WeakPolarHBondContact O-CA 3.22Å; L183-V198 HydrophobicContact CB-CB 4.21Å; L183-V198 PolarHBondContact N-O 2.85Å; L183-V198 PolarHBondContact O-N 3.36Å; L183-I200 HydrophobicContact CD1-CD1 3.8Å; L183-I200 HydrophobicContact CD1-CG1 4.11Å; L183-I200 HydrophobicContact CG-CD1 4.19Å; L183-I200 HydrophobicContact CG-CG1 3.95Å
184F92.3Very high82.8Confident0 Ų034.9 Ų34.90%017%0.173CC..EExtended strand (participates in β ladder)trans-104.7122.5169.5-69.7-77.5000109.8G167 Y168 F170 T182 I217 L271 L282G167-F184 CarbonylContact C-O 3.56Å; G167-F184 WeakPolarHBondContact CA-O 3.48Å; Y168-F184 HydrophobicContact CD2-CD2 4.47Å; Y168-F184 HydrophobicContact CE1-CB 4.49Å; Y168-F184 HydrophobicContact CE2-CB 3.99Å; Y168-F184 AromaticContact CE2-CD2 3.58Å; Y168-F184 HydrophobicContact CE2-CD2 3.58Å; Y168-F184 HydrophobicContact CE2-CG 4.19Å; Y168-F184 PolarHBondContact N-O 2.82Å; Y168-F184 VanDerWaalsContact N-O 3.07Å; Y168-F184 PolarHBondContact O-N 3.08Å; F170-F184 HydrophobicContact CB-CD2 3.93Å; F170-F184 HydrophobicContact CB-CE2 3.76Å; F170-F184 HydrophobicContact CG-CE2 4.23Å; T182-F184 HydrophobicContact CG2-CD2 4.37Å; T182-F184 HydrophobicContact CG2-CE1 4.15Å; T182-F184 HydrophobicContact CG2-CE2 3.96Å; T182-F184 HydrophobicContact CG2-CZ 3.83Å; F184-I217 HydrophobicContact CD1-CD1 3.77Å; F184-I217 HydrophobicContact CE1-CD1 3.94Å; F184-L271 HydrophobicContact CZ-CD1 4.04Å; F184-L282 HydrophobicContact CD1-CD2 4.45Å; F184-L282 HydrophobicContact CE1-CB 4.49Å; F184-L282 HydrophobicContact CE1-CD2 4.46Å
185L94.4Very high84.1Confident0 Ų030 Ų300%015%0.15CC..EExtended strand (participates in β ladder)trans-124.9142.8-170.1-52.1174.1000110.1L100 M121 I131 L183 N195 W196 V198L100-L185 HydrophobicContact CD1-CD2 3.55Å; L100-L185 HydrophobicContact CD2-CD2 4.25Å; M121-L185 HydrophobicContact CE-CD2 4.37Å; M121-L185 HydrophobicContact SD-CB 4.09Å; M121-L185 HydrophobicContact SD-CD1 4.35Å; M121-L185 HydrophobicContact SD-CD2 3.95Å; M121-L185 HydrophobicContact SD-CG 4.35Å; I131-L185 HydrophobicContact CD1-CD1 3.25Å; I131-L185 HydrophobicContact CG1-CD1 3.86Å; L183-L185 HydrophobicContact CB-CD2 4.27Å; L183-L185 HydrophobicContact CB-CG 4.37Å; L185-N195 CarbonylContact O-C 3.52Å; L185-N195 VanDerWaalsContact O-CA 3.28Å; L185-N195 WeakPolarHBondContact O-CA 3.18Å; L185-W196 HydrophobicContact CB-CE3 4.34Å; L185-W196 PolarHBondContact N-O 3.09Å; L185-W196 PolarHBondContact O-N 3.01Å; L185-V198 HydrophobicContact CD1-CG2 4.1Å
186S94.7Very high85.6Confident0 Ų023.4 Ų23.40%011%0.114CC..EExtended strand (participates in β ladder)trans-134.9135.2177-67.30000109.9I165 D166 H194 N195 R232I165-S186 WeakPolarHBondContact CA-O 3.46Å; D166-S186 PolarHBondContact N-O 2.89Å; D166-S186 PolarHBondContact O-N 2.76Å; S186-H194 WeakPolarHBondContact CA-O 3.42Å; S186-N195 WeakPolarHBondContact CB-OD1 2.79Å; S186-N195 PolarHBondContact OG-OD1 2.82Å; S186-R232 PolarHBondContact OG-NH1 2.9Å
187A95.5Very high87.2Confident0 Ų021.4 Ų21.40%010%0.104CC..EExtended strand (participates in β ladder)trans-131.1124.7171.400000110.6M156 S164 I165 V193 H194 W196M156-A187 HydrophobicContact SD-CB 4.38Å; S164-A187 WeakPolarHBondContact O-CA 3.42Å; I165-A187 HydrophobicContact CG2-CB 3.88Å; A187-V193 WeakPolarHBondContact O-CA 3.38Å; A187-H194 PolarHBondContact N-O 2.91Å; A187-H194 PolarHBondContact O-N 3.01Å; A187-W196 HydrophobicContact CB-CH2 3.78Å; A187-W196 HydrophobicContact CB-CZ3 3.56Å
188A94.8Very high88.7Confident0 Ų010.2 Ų10.20%06%0.062CC..EExtended strand (participates in β ladder)trans-84.7122.4168.300000109N163 S164 S192 V193 C227 L230N163-A188 PolarHBondContact N-O 3.12Å; S164-A188 PolarHBondContact N-O 3.32Å; S164-A188 PolarHBondContact O-N 3.18Å; A188-S192 WeakPolarHBondContact CA-O 2.96Å; A188-V193 HydrophobicContact CB-CG2 4.23Å; A188-C227 HydrophobicContact CB-CB 3.72Å; A188-L230 HydrophobicContact CB-CD2 3.56Å; A188-L230 VanDerWaalsContact N-CD2 3.26Å
189A92.7Very high90.3Very high0 Ų014.4 Ų14.40%08%0.078CC..EExtended strand (participates in β ladder)trans-138.9124176.800000110.2M156 S160 I161 T191 S192M156-A189 HydrophobicContact CG-CB 4.33Å; S160-A189 VanDerWaalsContact OG-CB 3.28Å; S160-A189 WeakPolarHBondContact OG-CB 3.38Å; I161-A189 WeakPolarHBondContact O-CA 3.28Å; I161-A189 WeakPolarHBondContact O-CB 3.17Å; A189-T191 PolarHBondContact O-N 3.34Å; A189-T191 VanDerWaalsContact O-N 3.13Å; A189-S192 PolarHBondContact N-O 3.47Å; A189-S192 PolarHBondContact O-N 2.83Å; A189-S192 VanDerWaalsContact O-O 3.06Å; A189-S192 PolarHBondContact O-OG 2.86Å
190D90.7Very high91.2Very high57 Ų5713.4 Ų13.431%0.3057%0.071SC..THydrogen-bonded Turntrans43.9-113.8-172.4-59.7-36.8000112.3S160 I161 L226 C227S160-D190 WeakPolarHBondContact CA-OD2 3.34Å; S160-D190 WeakPolarHBondContact CB-OD2 3.34Å; I161-D190 PolarHBondContact N-OD2 2.84Å; I161-D190 PolarHBondContact O-N 2.93Å; D190-L226 HydrophobicContact CB-CD2 4.32Å; D190-L226 CarbonylContact O-C 3.55Å; D190-L226 WeakPolarHBondContact O-CA 3.27Å; D190-C227 WeakPolarHBondContact O-CB 3.03Å; D190-C227 PolarHBondContact O-N 3.49Å
191T93.4Very high91.3Very high40 Ų4015.2 Ų15.225%0.2458%0.083CC..THydrogen-bonded Turntrans-99.127-178.165.50000113.1A189 R222 S225 L226A189-T191 PolarHBondContact O-N 3.34Å; A189-T191 VanDerWaalsContact O-N 3.13Å; T191-R222 PolarHBondContact O-N 2.78Å; T191-S225 WeakPolarHBondContact CA-O 3.3Å; T191-S225 WeakPolarHBondContact CB-O 3.47Å; T191-S225 WeakPolarHBondContact CG2-O 3.33Å; T191-L226 HydrophobicContact CG2-CD2 4.03Å
192S94.4Very high90.9Very high14 Ų1420.7 Ų20.710%0.09811%0.108CC..EExtended strand (participates in β ladder)trans-146153.7-174.359.30000113.4A188 A189 H194 I220A188-S192 WeakPolarHBondContact CA-O 2.96Å; A189-S192 PolarHBondContact N-O 3.47Å; A189-S192 PolarHBondContact O-N 2.83Å; A189-S192 VanDerWaalsContact O-O 3.06Å; A189-S192 PolarHBondContact O-OG 2.86Å; S192-H194 PolarHBondContact OG-CE1 3.18Å; S192-I220 CarbonylContact C-O 3.48Å; S192-I220 WeakPolarHBondContact CA-O 3.45Å
193V94.4Very high90.2Very high0 Ų025.2 Ų25.20%013%0.131CC..EExtended strand (participates in β ladder)trans-124120.8169.4-174.40000108.5A187 A188 N219 I220 C227 L230 L257A187-V193 WeakPolarHBondContact O-CA 3.38Å; A188-V193 HydrophobicContact CB-CG2 4.23Å; V193-N219 WeakPolarHBondContact O-CA 3.49Å; V193-N219 PolarHBondContact O-OD1 2.84Å; V193-I220 HydrophobicContact CB-CB 4.12Å; V193-I220 HydrophobicContact CB-CD1 4.49Å; V193-I220 PolarHBondContact N-O 2.77Å; V193-I220 PolarHBondContact O-N 3.46Å; V193-C227 HydrophobicContact CG2-CB 4.19Å; V193-L230 HydrophobicContact CG1-CD2 4.34Å; V193-L257 HydrophobicContact CG2-CD1 3.71Å; V193-L257 HydrophobicContact CG2-CD2 3.84Å; V193-L257 HydrophobicContact CG2-CG 4.4Å
194H93.7Very high89.4Confident6 Ų626.3 Ų26.33%0.02814%0.137CC..EExtended strand (participates in β ladder)trans-102.9135.1179.2-62.587.4000109.4P157 S186 A187 S192 W196 L216 N219P157-H194 WeakPolarHBondContact CG-NE2 3.28Å; S186-H194 WeakPolarHBondContact CA-O 3.42Å; A187-H194 PolarHBondContact N-O 2.91Å; A187-H194 PolarHBondContact O-N 3.01Å; S192-H194 PolarHBondContact OG-CE1 3.18Å; H194-W196 HydrophobicContact CB-CH2 3.16Å; H194-W196 HydrophobicContact CB-CZ2 3.23Å; H194-W196 HydrophobicContact CB-CZ3 3.87Å; H194-W196 WeakPolarHBondContact O-CZ3 3.17Å; H194-L216 HydrophobicContact CB-CD1 4.29Å; H194-N219 PolarHBondContact NE2-ND2 2.89Å
195N92.8Very high88.1Confident0 Ų028.5 Ų28.50%015%0.148CC..EExtended strand (participates in β ladder)trans-119.8131.5-177.7-58.3-63000110.7L185 S186 I217 S218 R232 I255L185-N195 CarbonylContact O-C 3.52Å; L185-N195 VanDerWaalsContact O-CA 3.28Å; L185-N195 WeakPolarHBondContact O-CA 3.18Å; S186-N195 WeakPolarHBondContact CB-OD1 2.79Å; S186-N195 PolarHBondContact OG-OD1 2.82Å; N195-I217 PolarHBondContact O-N 2.81Å; N195-S218 PolarHBondContact N-O 3.07Å; N195-S218 PolarHBondContact ND2-OG 3.06Å; N195-S218 VanDerWaalsContact ND2-OG 3.08Å; N195-S218 PolarHBondContact O-N 2.92Å; N195-R232 PolarHBondContact OD1-NH1 2.94Å; N195-I255 VanDerWaalsContact OD1-CD1 3.22Å; N195-I255 WeakPolarHBondContact OD1-CD1 3.37Å
196W91.8Very high86.7Confident17 Ų1733.4 Ų33.46%0.06418%0.179CC..EExtended strand (participates in β ladder)trans-127.8156.9179.6-54.5-92.8000113F154 M156 L185 A187 H194 C214 I215 L216 I217F154-W196 HydrophobicContact CD2-CZ2 4.16Å; F154-W196 AromaticContact CE2-CD2 3.82Å; F154-W196 HydrophobicContact CE2-CD2 3.82Å; F154-W196 AromaticContact CE2-CE2 3.53Å; F154-W196 HydrophobicContact CE2-CE3 4.03Å; F154-W196 AromaticContact CE2-CH2 3.7Å; F154-W196 HydrophobicContact CE2-CH2 3.7Å; F154-W196 AromaticContact CE2-CZ2 3.49Å; F154-W196 HydrophobicContact CE2-CZ2 3.49Å; F154-W196 VanDerWaalsContact CE2-CZ2 3.49Å; F154-W196 AromaticContact CE2-CZ3 3.96Å; F154-W196 HydrophobicContact CE2-CZ3 3.96Å; F154-W196 AromaticContact CZ-CD2 3.99Å; F154-W196 HydrophobicContact CZ-CD2 3.99Å; F154-W196 HydrophobicContact CZ-CE3 4.02Å; F154-W196 HydrophobicContact CZ-CH2 4.41Å; F154-W196 HydrophobicContact CZ-CZ2 4.42Å; F154-W196 HydrophobicContact CZ-CZ3 4.22Å; M156-W196 HydrophobicContact CE-CH2 3.2Å; M156-W196 HydrophobicContact CE-CZ2 3.35Å; M156-W196 HydrophobicContact CE-CZ3 4.28Å; M156-W196 HydrophobicContact SD-CH2 3.49Å; M156-W196 WeakPolarHBondContact SD-CH2 3.47Å; M156-W196 HydrophobicContact SD-CZ2 3.87Å; L185-W196 HydrophobicContact CB-CE3 4.34Å; L185-W196 PolarHBondContact N-O 3.09Å; L185-W196 PolarHBondContact O-N 3.01Å; A187-W196 HydrophobicContact CB-CH2 3.78Å; A187-W196 HydrophobicContact CB-CZ3 3.56Å; H194-W196 HydrophobicContact CB-CH2 3.16Å; H194-W196 HydrophobicContact CB-CZ2 3.23Å; H194-W196 HydrophobicContact CB-CZ3 3.87Å; H194-W196 WeakPolarHBondContact O-CZ3 3.17Å; W196-C214 WeakPolarHBondContact CB-SG 3.35Å; W196-C214 VanDerWaalsContact CD1-SG 3.53Å; W196-C214 VanDerWaalsContact CG-SG 3.52Å; W196-I215 CarbonylContact C-O 3.58Å; W196-I215 WeakPolarHBondContact CA-O 3.28Å; W196-I215 WeakPolarHBondContact CB-O 3.48Å; W196-L216 HydrophobicContact CG-CD1 4.46Å; W196-L216 HydrophobicContact CZ2-CD1 4.44Å; W196-I217 VanDerWaalsContact C-CD1 3.5Å
197S90.4Very high85.1Confident8 Ų837.8 Ų37.86%0.05620%0.202CC..EExtended strand (participates in β ladder)trans-117.3142.1163.849.80000110.8L183 I215L183-S197 CarbonylContact O-C 3.35Å; L183-S197 VanDerWaalsContact O-CA 3.24Å; L183-S197 WeakPolarHBondContact O-CA 3.22Å; S197-I215 PolarHBondContact N-O 3.13Å; S197-I215 PolarHBondContact O-N 3.16Å
198V90Very high83.2Confident0 Ų042.1 Ų42.10%022%0.221CC..EExtended strand (participates in β ladder)trans-128.4117.6169.1-175.20000107.9I131 I151 L183 L185 I200 L212 C214I131-V198 HydrophobicContact CD1-CG2 3.79Å; I151-V198 HydrophobicContact CG2-CG1 4.03Å; L183-V198 HydrophobicContact CB-CB 4.21Å; L183-V198 PolarHBondContact N-O 2.85Å; L183-V198 PolarHBondContact O-N 3.36Å; L185-V198 HydrophobicContact CD1-CG2 4.1Å; V198-I200 HydrophobicContact CG1-CD1 4.04Å; V198-L212 HydrophobicContact CG1-CB 3.91Å; V198-L212 HydrophobicContact CG1-CD1 4.3Å; V198-C214 HydrophobicContact CG2-CB 3.94Å
199H88.5Confident81.3Confident119 Ų11947.5 Ų47.555%0.55126%0.258SS*.EExtended strand (participates in β ladder)trans-80.1124175.7-171.766.8000110
200I85.9Confident79.9Confident0 Ų052 Ų520%028%0.282CS..EExtended strand (participates in β ladder)trans-99.2113.8-179.8-55-57.5000108.9F119 I151 L169 C179 S180 G181 L183 V198 L204 L212F119-I200 HydrophobicContact CE1-CD1 4.05Å; F119-I200 HydrophobicContact CE1-CG1 4.27Å; F119-I200 HydrophobicContact CZ-CD1 4.48Å; F119-I200 HydrophobicContact CZ-CG1 4.22Å; F119-I200 HydrophobicContact CZ-CG2 4.2Å; I151-I200 HydrophobicContact CD1-CD1 4.35Å; I151-I200 HydrophobicContact CG2-CD1 4.48Å; L169-I200 HydrophobicContact CD1-CG1 4.44Å; C179-I200 VanDerWaalsContact O-CG2 3.28Å; C179-I200 WeakPolarHBondContact O-CG2 3.46Å; S180-I200 VanDerWaalsContact CA-O 3.28Å; S180-I200 WeakPolarHBondContact CA-O 3.48Å; S180-I200 WeakPolarHBondContact CB-O 3.21Å; G181-I200 PolarHBondContact N-O 3.46Å; G181-I200 WeakPolarHBondContact O-CA 3.33Å; G181-I200 WeakPolarHBondContact O-CB 3.45Å; G181-I200 PolarHBondContact O-N 3.39Å; L183-I200 HydrophobicContact CD1-CD1 3.8Å; L183-I200 HydrophobicContact CD1-CG1 4.11Å; L183-I200 HydrophobicContact CG-CD1 4.19Å; L183-I200 HydrophobicContact CG-CG1 3.95Å; V198-I200 HydrophobicContact CG1-CD1 4.04Å; I200-L204 HydrophobicContact CG2-CB 4.36Å; I200-L204 HydrophobicContact CG2-CD2 4.03Å; I200-L212 HydrophobicContact CD1-CD1 3.78Å
201P83.4Confident79.3Confident48 Ų4854.9 Ų54.931%0.31230%0.296SS..  trans-75.2156176.332-33.9000111.1D203 L204 L212P201-D203 PolarHBondContact O-N 3.06Å; P201-L204 PolarHBondContact O-N 3.43Å; P201-L212 HydrophobicContact CG-CD2 4.31Å
202Q76.2Confident78.8Confident117 Ų11753.8 Ų53.855%0.54729%0.289SS..THydrogen-bonded Turntrans-57.3-32.3175.7-74-176.5-24.200112.6S178 S180 L204S178-Q202 PolarHBondContact OG-NE2 3.31Å; S180-Q202 VanDerWaalsContact CB-CG 3.47Å; S180-Q202 VanDerWaalsContact OG-CG 3.25Å; S180-Q202 WeakPolarHBondContact OG-CG 3.23Å; Q202-L204 VanDerWaalsContact C-N 3.35Å; Q202-L204 PolarHBondContact O-N 3.15Å
203D73.7Confident78.2Confident103 Ų10357.7 Ų57.755%0.55131%0.314SS*.THydrogen-bonded Turntrans-89.817.4-174.9-66-25.9000114.4P201 L205 T206P201-D203 PolarHBondContact O-N 3.06Å; D203-L205 PolarHBondContact O-N 2.97Å; D203-T206 PolarHBondContact O-N 3.28Å; D203-T206 PolarHBondContact O-OG1 2.82Å
204L73.9Confident77.6Confident24 Ų2459.2 Ų59.213%0.12632%0.324CS..THydrogen-bonded Turntrans-49.2-41.5-174.3-174.474.5000113.4I117 F119 A133 I151 I200 P201 Q202 L212I117-L204 HydrophobicContact CD1-CD2 3.94Å; F119-L204 HydrophobicContact CE1-CD2 4.25Å; A133-L204 HydrophobicContact CB-CD2 4.38Å; I151-L204 HydrophobicContact CD1-CD2 4.33Å; I200-L204 HydrophobicContact CG2-CB 4.36Å; I200-L204 HydrophobicContact CG2-CD2 4.03Å; P201-L204 PolarHBondContact O-N 3.43Å; Q202-L204 VanDerWaalsContact C-N 3.35Å; Q202-L204 PolarHBondContact O-N 3.15Å; L204-L212 HydrophobicContact CD1-CD1 3.52Å; L204-L212 HydrophobicContact CD1-CG 4.29Å
205L65.2Low77.2Confident45 Ų4562.4 Ų62.424%0.23634%0.341CS..THydrogen-bonded Turntrans-85.9-17.2-171.7-69.2163.8000114.6I117 L135 D203I117-L205 HydrophobicContact CD1-CD1 3.57Å; I117-L205 HydrophobicContact CD1-CD2 4.39Å; I117-L205 HydrophobicContact CD1-CG 3.8Å; I117-L205 HydrophobicContact CG1-CD1 3.83Å; I117-L205 HydrophobicContact CG1-CG 4.47Å; L135-L205 HydrophobicContact CD1-CD1 4.19Å; L135-L205 HydrophobicContact CD1-CD2 4.23Å; L135-L205 HydrophobicContact CD2-CD1 3.3Å; L135-L205 HydrophobicContact CD2-CD2 4.4Å; L135-L205 HydrophobicContact CD2-CG 4.46Å; L135-L205 HydrophobicContact CG-CD1 3.66Å; L135-L205 HydrophobicContact CG-CD2 3.81Å; L135-L205 HydrophobicContact CG-CG 4.37Å; D203-L205 PolarHBondContact O-N 2.97Å
206T65.5Low76.8Confident104 Ų10466.9 Ų66.964%0.63836%0.364SS*.THydrogen-bonded Turntrans-78.3-30.7175.958.20000110.8D203D203-T206 PolarHBondContact O-N 3.28Å; D203-T206 PolarHBondContact O-OG1 2.82Å
207N59.3Low76.5Confident92 Ų9267.3 Ų67.349%0.49237%0.368SS..SBendtrans-100.483.1177.4-73-34.5000111.1S209 I210N207-S209 PolarHBondContact O-N 3.27Å; N207-I210 HydrophobicContact CB-CD1 3.91Å; N207-I210 HydrophobicContact CB-CG1 4.37Å
208K56.4Low76.2Confident91 Ų9167.9 Ų67.940%0.39637%0.372SS..THydrogen-bonded Turntrans-59.39.9-173.8-73-161.9175.7-172.10117.5M1M1-K208 HydrophobicContact CE-CD 3.59Å; M1-K208 HydrophobicContact CE-CG 4.43Å; M1-K208 HydrophobicContact SD-CD 4.21Å; M1-K208 PolarHBondContact SD-NZ 3.21Å
209S55.6Low76.2Confident112 Ų11271.6 Ų71.678%0.78339%0.391SS*.THydrogen-bonded Turntrans-161.543.8-169.366.60000115.5N207N207-S209 PolarHBondContact O-N 3.27Å
210I62.9Low76.3Confident96 Ų9666.2 Ų66.249%0.49237%0.366SS..  trans-114112.6172.5-57.8176.2000108.9N207 L212N207-I210 HydrophobicContact CB-CD1 3.91Å; N207-I210 HydrophobicContact CB-CG1 4.37Å; I210-L212 HydrophobicContact CG2-CD2 4.29Å; I210-L212 PolarHBondContact O-N 3.34Å; I210-L212 VanDerWaalsContact O-N 3.16Å
211L78.3Confident76.6Confident116 Ų11670.3 Ų70.361%0.60739%0.392SS*.  trans-63.8110.2163.7-74.9164000107.3I150 I151I150-L211 HydrophobicContact CG2-CD2 4.31Å; I151-L211 CarbonylContact O-C 3.49Å; I151-L211 VanDerWaalsContact O-CA 3.24Å; I151-L211 WeakPolarHBondContact O-CA 3.42Å
212L82.4Confident76.9Confident17 Ų1770.4 Ų70.49%0.08939%0.386CS..  trans-76.4142.4-179.3-68.1177.9000110.3I151 N152 V198 I200 P201 L204 I210 C214I151-L212 HydrophobicContact CG2-CB 3.91Å; I151-L212 HydrophobicContact CG2-CD1 3.83Å; I151-L212 HydrophobicContact CG2-CG 4.13Å; I151-L212 PolarHBondContact O-N 3.07Å; N152-L212 PolarHBondContact ND2-O 3.15Å; V198-L212 HydrophobicContact CG1-CB 3.91Å; V198-L212 HydrophobicContact CG1-CD1 4.3Å; I200-L212 HydrophobicContact CD1-CD1 3.78Å; P201-L212 HydrophobicContact CG-CD2 4.31Å; L204-L212 HydrophobicContact CD1-CD1 3.52Å; L204-L212 HydrophobicContact CD1-CG 4.29Å; I210-L212 HydrophobicContact CG2-CD2 4.29Å; I210-L212 PolarHBondContact O-N 3.34Å; I210-L212 VanDerWaalsContact O-N 3.16Å; L212-C214 PolarHBondContact O-N 2.83Å
213P81.6Confident77.6Confident96 Ų9671.5 Ų71.562%0.62339%0.394SS*.  trans-62.5133.2178.426.5-33.4000110.9
214C82.9Confident78.3Confident32 Ų3272 Ų7222%0.21640%0.403CS..EExtended strand (participates in β ladder)trans-106.3115.2173.8-177.40000108N152 F154 W196 V198 L212N152-C214 WeakPolarHBondContact ND2-CB 3.49Å; N152-C214 PolarHBondContact ND2-N 2.82Å; F154-C214 HydrophobicContact CD1-CB 4.45Å; W196-C214 WeakPolarHBondContact CB-SG 3.35Å; W196-C214 VanDerWaalsContact CD1-SG 3.53Å; W196-C214 VanDerWaalsContact CG-SG 3.52Å; V198-C214 HydrophobicContact CG2-CB 3.94Å; L212-C214 PolarHBondContact O-N 2.83Å
215I84.9Confident79.2Confident74 Ų7471.7 Ų71.738%0.37940%0.403SS..EExtended strand (participates in β ladder)trans-96.6122.1-174.4-58.6172000107.9W196 S197 I217W196-I215 CarbonylContact C-O 3.58Å; W196-I215 WeakPolarHBondContact CA-O 3.28Å; W196-I215 WeakPolarHBondContact CB-O 3.48Å; S197-I215 PolarHBondContact N-O 3.13Å; S197-I215 PolarHBondContact O-N 3.16Å; I215-I217 PolarHBondContact O-N 2.85Å
216L84.7Confident80.6Confident94 Ų9472.1 Ų72.149%0.49241%0.405SS..EExtended strand (participates in β ladder)trans-72.2115.5171.3-178.673.5000108.7H194 W196H194-L216 HydrophobicContact CB-CD1 4.29Å; W196-L216 HydrophobicContact CG-CD1 4.46Å; W196-L216 HydrophobicContact CZ2-CD1 4.44Å
217I84.3Confident81.9Confident26 Ų2667.1 Ų67.113%0.13338%0.375CS..EExtended strand (participates in β ladder)trans-87.6-49.1-177-46.3171.3000110.7F184 N195 W196 I215 L282F184-I217 HydrophobicContact CD1-CD1 3.77Å; F184-I217 HydrophobicContact CE1-CD1 3.94Å; N195-I217 PolarHBondContact O-N 2.81Å; W196-I217 VanDerWaalsContact C-CD1 3.5Å; I215-I217 PolarHBondContact O-N 2.85Å; I217-L282 HydrophobicContact CD1-CB 4.38Å; I217-L282 HydrophobicContact CG2-CB 3.81Å; I217-L282 VanDerWaalsContact CG2-N 3.27Å; I217-L282 WeakPolarHBondContact CG2-O 3.24Å
218S84.1Confident83.6Confident20 Ų2064.2 Ų64.214%0.1436%0.359CS..EExtended strand (participates in β ladder)trans-156.4155.4-17655.70000111.2N195N195-S218 PolarHBondContact N-O 3.07Å; N195-S218 PolarHBondContact ND2-OG 3.06Å; N195-S218 VanDerWaalsContact ND2-OG 3.08Å; N195-S218 PolarHBondContact O-N 2.92Å
219N89.8Confident85.4Confident77 Ų7760.3 Ų60.341%0.41234%0.343SS..EExtended strand (participates in β ladder)trans-125.9131.3173.2-171.1-1.1000108.8V193 H194V193-N219 WeakPolarHBondContact O-CA 3.49Å; V193-N219 PolarHBondContact O-OD1 2.84Å; H194-N219 PolarHBondContact NE2-ND2 2.89Å
220I91.6Very high87.3Confident6 Ų655 Ų553%0.03131%0.306CS..EExtended strand (participates in β ladder)trans-106.3117.4174.6-65.2164.6000107S192 V193 R222 I255 W267 F284S192-I220 CarbonylContact C-O 3.48Å; S192-I220 WeakPolarHBondContact CA-O 3.45Å; V193-I220 HydrophobicContact CB-CB 4.12Å; V193-I220 HydrophobicContact CB-CD1 4.49Å; V193-I220 PolarHBondContact N-O 2.77Å; V193-I220 PolarHBondContact O-N 3.46Å; I220-R222 HydrophobicContact CG2-CG 4.38Å; I220-I255 HydrophobicContact CD1-CD1 4.17Å; I220-W267 HydrophobicContact CB-CH2 4.38Å; I220-W267 HydrophobicContact CB-CZ2 4.34Å; I220-W267 HydrophobicContact CD1-CB 4.4Å; I220-W267 HydrophobicContact CD1-CD2 3.75Å; I220-W267 HydrophobicContact CD1-CE3 3.9Å; I220-W267 HydrophobicContact CD1-CG 3.99Å; I220-W267 HydrophobicContact CD1-CZ3 4.4Å; I220-W267 HydrophobicContact CG1-CD2 4.22Å; I220-W267 HydrophobicContact CG1-CE3 4.01Å; I220-W267 HydrophobicContact CG1-CH2 4.17Å; I220-W267 HydrophobicContact CG1-CZ2 4.34Å; I220-W267 HydrophobicContact CG1-CZ3 4Å; I220-W267 HydrophobicContact CG2-CD2 4.31Å; I220-W267 HydrophobicContact CG2-CH2 3.58Å; I220-W267 HydrophobicContact CG2-CZ2 3.19Å; I220-W267 HydrophobicContact CG2-CZ3 4.28Å; I220-F284 HydrophobicContact CD1-CB 4.31Å
221T91.7Very high88.9Confident87 Ų8751.8 Ų51.853%0.53429%0.287SS..EExtended strand (participates in β ladder)trans-105.5136.8177.354.20000110.9
222R90.8Very high89.6Confident50 Ų5046.8 Ų46.819%0.18926%0.26CS..  trans-132.943.7-175.6-80.5-54.1-153.5-122.910.8113.6T191 I220 P224 S225 L257 E265 W267 L286T191-R222 PolarHBondContact O-N 2.78Å; I220-R222 HydrophobicContact CG2-CG 4.38Å; R222-P224 CarbonylContact O-C 3.56Å; R222-S225 CarbonylContact O-C 3.55Å; R222-S225 WeakPolarHBondContact O-CA 3.49Å; R222-S225 PolarHBondContact O-N 3.49Å; R222-L257 HydrophobicContact CG-CD2 4.41Å; R222-E265 VanDerWaalsContact CZ-CD 3.43Å; R222-E265 IonicContact CZ-OE1 3.51Å; R222-E265 IonicContact CZ-OE2 2.8Å; R222-E265 IonicContact NE-OE1 2.8Å; R222-E265 PolarHBondContact NE-OE1 3.48Å; R222-E265 IonicContact NE-OE2 2.64Å; R222-E265 PolarHBondContact NE-OE2 3.09Å; R222-E265 IonicContact NH2-OE1 3.36Å; R222-E265 PolarHBondContact NH2-OE1 3.11Å; R222-E265 IonicContact NH2-OE2 3.91Å; R222-E265 PolarHBondContact NH2-OE2 3.42Å; R222-W267 VanDerWaalsContact CZ-CZ2 3.4Å; R222-L286 VanDerWaalsContact NH2-CD1 3.33Å
223I89.2Confident90.1Very high139 Ų13946.9 Ų46.971%0.71326%0.26SS*.THydrogen-bonded Turntrans-65.6129.4178.3-58.7170.5000110
224P88.9Confident90.4Very high113 Ų11342.8 Ų42.873%0.73423%0.233SC*.THydrogen-bonded Turncis-971.95.838.2-35.6000115.8R222R222-P224 CarbonylContact O-C 3.56Å
225S93.3Very high90.6Very high19 Ų1941.4 Ų41.413%0.13322%0.224CC..SBendtrans-70135.3-177-73.30000114.1T191 R222 D260 N261T191-S225 WeakPolarHBondContact CA-O 3.3Å; T191-S225 WeakPolarHBondContact CB-O 3.47Å; T191-S225 WeakPolarHBondContact CG2-O 3.33Å; R222-S225 CarbonylContact O-C 3.55Å; R222-S225 WeakPolarHBondContact O-CA 3.49Å; R222-S225 PolarHBondContact O-N 3.49Å; S225-D260 WeakPolarHBondContact CA-OD1 3.42Å; S225-D260 WeakPolarHBondContact CB-OD1 3.36Å; S225-D260 PolarHBondContact OG-OD1 2.91Å; S225-N261 PolarHBondContact OG-ND2 2.97Å; S225-N261 VanDerWaalsContact OG-ND2 3.16Å
226L94.2Very high90.5Very high53 Ų5341 Ų4128%0.27722%0.219SC..  trans-77.1134.9172.8-63.7169.5000111.5D190 T191 L228 L259 D260D190-L226 HydrophobicContact CB-CD2 4.32Å; D190-L226 CarbonylContact O-C 3.55Å; D190-L226 WeakPolarHBondContact O-CA 3.27Å; T191-L226 HydrophobicContact CG2-CD2 4.03Å; L226-L228 HydrophobicContact CB-CD2 4.09Å; L226-L259 WeakPolarHBondContact O-CA 3.42Å; L226-D260 HydrophobicContact CB-CB 4.06Å; L226-D260 WeakPolarHBondContact CB-OD2 3.45Å; L226-D260 WeakPolarHBondContact CG-OD2 3.38Å; L226-D260 PolarHBondContact N-OD1 3.07Å; L226-D260 VanDerWaalsContact N-OD1 3.14Å; L226-D260 PolarHBondContact N-OD2 3.04Å; L226-D260 PolarHBondContact O-N 2.91Å
227C94.1Very high90.2Very high0 Ų037.4 Ų37.40%020%0.199CC..EExtended strand (participates in β ladder)trans-82.9106.3170.2-63.10000108.8N163 A188 D190 V193 L257N163-C227 WeakPolarHBondContact CB-O 3.42Å; N163-C227 PolarHBondContact ND2-O 3.11Å; A188-C227 HydrophobicContact CB-CB 3.72Å; D190-C227 WeakPolarHBondContact O-CB 3.03Å; D190-C227 PolarHBondContact O-N 3.49Å; V193-C227 HydrophobicContact CG2-CB 4.19Å; C227-L257 HydrophobicContact CB-CD1 3.83Å
228L93.6Very high89.8Confident30 Ų3040 Ų4016%0.15722%0.216CC..EExtended strand (participates in β ladder)trans-95.7-47.3-170.6-62.4178.6000112.9N163 L226 G258 D260 W296N163-L228 WeakPolarHBondContact CB-O 3.4Å; L226-L228 HydrophobicContact CB-CD2 4.09Å; L228-G258 PolarHBondContact N-O 3.16Å; L228-D260 HydrophobicContact CD1-CB 4.13Å; L228-D260 HydrophobicContact CG-CB 4.49Å; L228-W296 HydrophobicContact CD1-CB 3.74Å; L228-W296 HydrophobicContact CD1-CD2 4.14Å; L228-W296 HydrophobicContact CD1-CE3 3.94Å; L228-W296 HydrophobicContact CD1-CG 4.09Å; L228-W296 HydrophobicContact CD2-CE3 4.44Å
229C95.1Very high89.2Confident9 Ų940.4 Ų40.46%0.06122%0.216CC..EExtended strand (participates in β ladder)trans-142.3149.4-176.955.70000110.6G258 T297 R298 I300C229-G258 PolarHBondContact O-N 3.08Å; C229-T297 PolarHBondContact SG-O 2.91Å; C229-R298 WeakPolarHBondContact CB-O 3.48Å; C229-I300 VanDerWaalsContact SG-CD1 3.58Å; C229-I300 VanDerWaalsContact SG-CG1 3.55Å
230L96Very high88.1Confident1 Ų143 Ų431%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-143.2151.2178.380.194.8000112.3S164 D166 A188 V193 R232 V256 L257S164-L230 WeakPolarHBondContact O-CD2 3.47Å; S164-L230 PolarHBondContact OG-N 2.84Å; D166-L230 HydrophobicContact CB-CD1 3.4Å; D166-L230 HydrophobicContact CB-CG 4.36Å; A188-L230 HydrophobicContact CB-CD2 3.56Å; A188-L230 VanDerWaalsContact N-CD2 3.26Å; V193-L230 HydrophobicContact CG1-CD2 4.34Å; L230-R232 HydrophobicContact CD1-CB 4.48Å; L230-V256 CarbonylContact C-O 3.53Å; L230-V256 WeakPolarHBondContact CA-O 3.36Å; L230-L257 HydrophobicContact CB-CD1 4.36Å
231R95.4Very high86.7Confident29 Ų2948.1 Ų48.111%0.10925%0.247CC..EExtended strand (participates in β ladder)trans-128.4137165.4-78.4-72.9176.5-99.1-22.8110.5D166 I255 V256 I300 D301 V302 R381D166-R231 VanDerWaalsContact OD2-CA 3.28Å; D166-R231 WeakPolarHBondContact OD2-CA 3.22Å; D166-R231 WeakPolarHBondContact OD2-CD 3.36Å; D166-R231 IonicContact OD2-NH1 3.62Å; R231-I255 WeakPolarHBondContact O-CA 3.32Å; R231-V256 PolarHBondContact N-O 3.16Å; R231-V256 PolarHBondContact O-N 2.91Å; R231-I300 HydrophobicContact CB-CG2 4.28Å; R231-I300 HydrophobicContact CG-CB 4.36Å; R231-I300 HydrophobicContact CG-CG2 3.96Å; R231-I300 PolarHBondContact NE-O 2.82Å; R231-I300 PolarHBondContact NH2-O 2.9Å; R231-I300 VanDerWaalsContact NH2-O 3.15Å; R231-D301 IonicContact CZ-OD1 3.85Å; R231-D301 IonicContact NE-OD1 3.04Å; R231-D301 PolarHBondContact NE-OD1 2.82Å; R231-D301 IonicContact NH2-OD1 2.72Å; R231-V302 HydrophobicContact CB-CG2 3.92Å; R231-V302 HydrophobicContact CG-CG2 4.23Å; R231-R381 VanDerWaalsContact NH2-NH1 3.13Å
232R93.5Very high85Confident11 Ų1149.5 Ų49.54%0.04226%0.261CS..EExtended strand (participates in β ladder)trans-121.6128.1178.4-166.8-162175.383.44.4109.7D166 Y168 S186 N195 L230 I254 I255 F284D166-R232 HydrophobicContact CB-CB 4.18Å; D166-R232 PolarHBondContact OD2-N 3.44Å; Y168-R232 HydrophobicContact CD1-CG 4.31Å; Y168-R232 HydrophobicContact CE1-CG 3.82Å; Y168-R232 PolarHBondContact OH-NE 2.99Å; S186-R232 PolarHBondContact OG-NH1 2.9Å; N195-R232 PolarHBondContact OD1-NH1 2.94Å; L230-R232 HydrophobicContact CD1-CB 4.48Å; R232-I254 WeakPolarHBondContact CA-O 3.26Å; R232-I255 HydrophobicContact CG-CG1 4.06Å; R232-F284 VanDerWaalsContact NH1-CZ 3.31Å
233F92Very high83.3Confident19 Ų1954.1 Ų54.18%0.08329%0.289CS..EExtended strand (participates in β ladder)trans-150.6173.3177.660.7-83.7000110.8I235 I254 V256 V302 I304 V313F233-I235 HydrophobicContact CD2-CG1 4.06Å; F233-I235 HydrophobicContact CE2-CD1 3.98Å; F233-I235 HydrophobicContact CE2-CG1 3.88Å; F233-I254 HydrophobicContact CD2-CB 4.39Å; F233-I254 HydrophobicContact CE1-CB 4.08Å; F233-I254 HydrophobicContact CE1-CG2 3.79Å; F233-I254 HydrophobicContact CE2-CB 3.97Å; F233-I254 HydrophobicContact CE2-CD1 3.89Å; F233-I254 HydrophobicContact CE2-CG1 4.37Å; F233-I254 HydrophobicContact CE2-CG2 4.29Å; F233-I254 HydrophobicContact CZ-CB 3.8Å; F233-I254 HydrophobicContact CZ-CD1 4.05Å; F233-I254 HydrophobicContact CZ-CG1 4.49Å; F233-I254 HydrophobicContact CZ-CG2 3.61Å; F233-I254 PolarHBondContact N-O 2.92Å; F233-I254 PolarHBondContact O-N 2.95Å; F233-V256 HydrophobicContact CE1-CG2 3.76Å; F233-V256 HydrophobicContact CZ-CG2 4.36Å; F233-V302 HydrophobicContact CD1-CB 4.34Å; F233-V302 HydrophobicContact CD1-CG1 4.07Å; F233-V302 HydrophobicContact CD1-CG2 4.17Å; F233-V302 HydrophobicContact CE1-CB 4.28Å; F233-V302 HydrophobicContact CE1-CG1 3.81Å; F233-V302 HydrophobicContact CE1-CG2 3.84Å; F233-V302 HydrophobicContact CE2-CG1 4.36Å; F233-V302 HydrophobicContact CG-CG1 4.47Å; F233-V302 HydrophobicContact CZ-CG1 3.97Å; F233-I304 HydrophobicContact CB-CD1 4.16Å; F233-I304 HydrophobicContact CD2-CD1 3.57Å; F233-I304 HydrophobicContact CD2-CG1 4.47Å; F233-I304 HydrophobicContact CE2-CD1 4.27Å; F233-I304 HydrophobicContact CG-CD1 4.12Å; F233-V313 HydrophobicContact CE2-CG1 3.99Å; F233-V313 HydrophobicContact CE2-CG2 4.35Å; F233-V313 HydrophobicContact CZ-CG1 3.96Å
234C88.8Confident81.7Confident9 Ų952.5 Ų52.56%0.06128%0.282CS..EExtended strand (participates in β ladder)trans-131.1151.3173.665.20000111W251 L252C234-W251 HydrophobicContact CB-CE3 4.14Å; C234-W251 VanDerWaalsContact SG-CE3 3.57Å; C234-L252 CarbonylContact C-O 3.56Å; C234-L252 VanDerWaalsContact CA-O 3.27Å; C234-L252 WeakPolarHBondContact CA-O 3.46Å
235I86.3Confident80.4Confident3 Ų354.3 Ų54.32%0.01529%0.285CS..EExtended strand (participates in β ladder)trans-119.6128.4-179.6-55.8-178.9000108.5F233 Y237 W251 L252 I254 P311 V313F233-I235 HydrophobicContact CD2-CG1 4.06Å; F233-I235 HydrophobicContact CE2-CD1 3.98Å; F233-I235 HydrophobicContact CE2-CG1 3.88Å; I235-Y237 HydrophobicContact CB-CD2 4.5Å; I235-Y237 HydrophobicContact CB-CE2 3.96Å; I235-Y237 HydrophobicContact CG2-CD2 4.02Å; I235-Y237 HydrophobicContact CG2-CE2 3.45Å; I235-Y237 VanDerWaalsContact CG2-CE2 3.45Å; I235-W251 WeakPolarHBondContact O-CA 3.13Å; I235-L252 HydrophobicContact CB-CB 4.4Å; I235-L252 PolarHBondContact N-O 3.17Å; I235-L252 PolarHBondContact O-N 3.18Å; I235-I254 HydrophobicContact CD1-CD1 3.56Å; I235-I254 HydrophobicContact CG1-CD1 4.21Å; I235-P311 HydrophobicContact CG2-CB 3.94Å; I235-P311 HydrophobicContact CG2-CG 3.14Å; I235-V313 HydrophobicContact CD1-CG2 3.75Å; I235-V313 HydrophobicContact CG1-CG2 4.32Å
236K82.7Confident78.9Confident66 Ų6658.2 Ų58.229%0.28730%0.304SS..EExtended strand (participates in β ladder)trans-81.4126.4173.5-167-178.9-168.8172.20110E174 V249 W251E174-K236 VanDerWaalsContact OE1-CE 3.31Å; E174-K236 WeakPolarHBondContact OE1-CE 3.49Å; E174-K236 IonicContact OE1-NZ 3.38Å; E174-K236 PolarHBondContact OE1-NZ 2.93Å; E174-K236 IonicContact OE2-NZ 2.62Å; E174-K236 PolarHBondContact OE2-NZ 2.88Å; K236-V249 HydrophobicContact CD-CG1 4.15Å; K236-V249 HydrophobicContact CG-CG1 3.68Å; K236-W251 HydrophobicContact CB-CD2 4.37Å; K236-W251 HydrophobicContact CB-CE3 4.03Å; K236-W251 HydrophobicContact CB-CH2 3.66Å; K236-W251 HydrophobicContact CB-CZ2 3.97Å; K236-W251 HydrophobicContact CB-CZ3 3.7Å; K236-W251 HydrophobicContact CD-CH2 3.91Å; K236-W251 HydrophobicContact CD-CZ2 3.75Å; K236-W251 HydrophobicContact CG-CD2 4.48Å; K236-W251 HydrophobicContact CG-CH2 3.88Å; K236-W251 HydrophobicContact CG-CZ2 3.67Å; K236-W251 HydrophobicContact CG-CZ3 4.34Å
237Y78.6Confident77.6Confident18 Ų1861.3 Ų61.37%0.07132%0.319CS..EExtended strand (participates in β ladder)trans-114.1133.2167.4-76-85.2000109.8I235 V249 S250 L252 F355 I360 V362I235-Y237 HydrophobicContact CB-CD2 4.5Å; I235-Y237 HydrophobicContact CB-CE2 3.96Å; I235-Y237 HydrophobicContact CG2-CD2 4.02Å; I235-Y237 HydrophobicContact CG2-CE2 3.45Å; I235-Y237 VanDerWaalsContact CG2-CE2 3.45Å; Y237-V249 WeakPolarHBondContact O-CA 3.38Å; Y237-S250 PolarHBondContact N-O 2.89Å; Y237-S250 PolarHBondContact O-N 3.42Å; Y237-L252 HydrophobicContact CD2-CB 4.17Å; Y237-L252 HydrophobicContact CE2-CB 4.02Å; Y237-L252 HydrophobicContact CE2-CD2 4.04Å; Y237-F355 HydrophobicContact CD2-CE1 4.05Å; Y237-I360 HydrophobicContact CD1-CD1 4.37Å; Y237-I360 HydrophobicContact CD1-CG2 3.91Å; Y237-I360 HydrophobicContact CE1-CG2 3.81Å; Y237-I360 HydrophobicContact CG-CD1 4.29Å; Y237-I360 HydrophobicContact CG-CG2 4.4Å; Y237-V362 WeakPolarHBondContact OH-CG2 3.35Å
238T75.8Confident76.5Confident80 Ų8064 Ų6449%0.49133%0.334SS..EExtended strand (participates in β ladder)trans-106.6134.4170590000108V249T238-V249 HydrophobicContact CG2-CG2 4.31Å
239F71.4Confident75.7Confident29 Ų2965.1 Ų65.113%0.12734%0.342CS..EExtended strand (participates in β ladder)trans-145.1152.6179.769.8-74.6000110.1K241 D248 W354F239-K241 HydrophobicContact CE2-CG 4.16Å; F239-D248 HydrophobicContact CD1-CB 4.23Å; F239-D248 WeakPolarHBondContact CD1-O 3.11Å; F239-D248 HydrophobicContact CE1-CB 3.38Å; F239-D248 HydrophobicContact CE2-CB 4.01Å; F239-D248 HydrophobicContact CZ-CB 3.26Å; F239-D248 PolarHBondContact N-O 3.44Å; F239-D248 VanDerWaalsContact N-O 3.09Å; F239-D248 PolarHBondContact O-N 2.72Å; F239-W354 AromaticContact CD1-CH2 3.86Å; F239-W354 HydrophobicContact CD1-CH2 3.86Å; F239-W354 AromaticContact CE1-CH2 3.24Å; F239-W354 HydrophobicContact CE1-CH2 3.24Å; F239-W354 AromaticContact CE1-CZ2 3.66Å; F239-W354 HydrophobicContact CE1-CZ2 3.66Å; F239-W354 HydrophobicContact CE1-CZ3 4.42Å; F239-W354 HydrophobicContact CE2-CH2 4.21Å; F239-W354 HydrophobicContact CE2-CZ2 4.23Å; F239-W354 AromaticContact CZ-CH2 3.43Å; F239-W354 HydrophobicContact CZ-CH2 3.43Å; F239-W354 VanDerWaalsContact CZ-CH2 3.43Å; F239-W354 AromaticContact CZ-CZ2 3.39Å; F239-W354 HydrophobicContact CZ-CZ2 3.39Å
240Q67.1Low75.1Confident131 Ų13165.5 Ų65.561%0.61234%0.344SS*.EExtended strand (participates in β ladder)trans-100.7121.2-179.3-165.9172.4-3.600108.6S242 N245Q240-S242 PolarHBondContact O-N 3.45Å; Q240-N245 PolarHBondContact NE2-OD1 2.99Å
241K62.7Low74.5Confident114 Ų11467 Ų6750%0.49635%0.35SS..  trans-67.3133.5172-98.8172.2178153.10108.9F239 N243 D244 D248F239-K241 HydrophobicContact CE2-CG 4.16Å; K241-N243 PolarHBondContact O-N 2.77Å; K241-D244 PolarHBondContact O-N 3.04Å; K241-D244 VanDerWaalsContact O-O 3.09Å; K241-D248 WeakPolarHBondContact CE-OD2 3.14Å; K241-D248 IonicContact NZ-OD2 2.73Å; K241-D248 PolarHBondContact NZ-OD2 3.37Å
242S55.1Low74.2Confident116 Ų11665.6 Ų65.681%0.81135%0.345SS*.THydrogen-bonded Turntrans-65.2-1-167.558.60000116.1Q240Q240-S242 PolarHBondContact O-N 3.45Å
243N55.3Low74.1Confident147 Ų14765 Ų6579%0.78634%0.343SS*.THydrogen-bonded Turntrans-129.9-4.8-176.7-77.1-16000115.8K241K241-N243 PolarHBondContact O-N 2.77Å
244D55.6Low74.2Confident106 Ų10664.1 Ų64.157%0.56734%0.339SS*.SBendtrans-142.1145175.5-76.9-47.6000109.2K241 I246K241-D244 PolarHBondContact O-N 3.04Å; K241-D244 VanDerWaalsContact O-O 3.09Å; D244-I246 HydrophobicContact CB-CB 4.36Å; D244-I246 HydrophobicContact CB-CD1 3.87Å; D244-I246 HydrophobicContact CB-CG1 3.97Å; D244-I246 PolarHBondContact O-N 3.25Å
245N62Low74.5Confident150 Ų15063.7 Ų63.780%0.80234%0.336SS*.SBendtrans-66.626.4174.5-84.8-15.8000113.6Q240Q240-N245 PolarHBondContact NE2-OD1 2.99Å
246I61.1Low75Confident102 Ų10263.6 Ų63.652%0.52334%0.335SS..  trans-92114-179.8-59.6169.3000107.3D244 D248D244-I246 HydrophobicContact CB-CB 4.36Å; D244-I246 HydrophobicContact CB-CD1 3.87Å; D244-I246 HydrophobicContact CB-CG1 3.97Å; D244-I246 PolarHBondContact O-N 3.25Å; I246-D248 PolarHBondContact O-N 3.1Å
247I66.5Low75.7Confident117 Ų11760.5 Ų60.560%0.632%0.322SS*.EExtended strand (participates in β ladder)trans-79.3114.8171.3-59.2170.1000106.4
248D71.3Confident76.6Confident57 Ų5759.6 Ų59.631%0.30532%0.318SS..EExtended strand (participates in β ladder)trans-92.7153.1170.3-111.1-28.9000109.5F239 K241 I246F239-D248 HydrophobicContact CD1-CB 4.23Å; F239-D248 WeakPolarHBondContact CD1-O 3.11Å; F239-D248 HydrophobicContact CE1-CB 3.38Å; F239-D248 HydrophobicContact CE2-CB 4.01Å; F239-D248 HydrophobicContact CZ-CB 3.26Å; F239-D248 PolarHBondContact N-O 3.44Å; F239-D248 VanDerWaalsContact N-O 3.09Å; F239-D248 PolarHBondContact O-N 2.72Å; K241-D248 WeakPolarHBondContact CE-OD2 3.14Å; K241-D248 IonicContact NZ-OD2 2.73Å; K241-D248 PolarHBondContact NZ-OD2 3.37Å; I246-D248 PolarHBondContact O-N 3.1Å
249V76.7Confident77.6Confident54 Ų5455.9 Ų55.933%0.32730%0.295SS..EExtended strand (participates in β ladder)trans-118.5135.2178.7-1790000108.5K236 Y237 T238K236-V249 HydrophobicContact CD-CG1 4.15Å; K236-V249 HydrophobicContact CG-CG1 3.68Å; Y237-V249 WeakPolarHBondContact O-CA 3.38Å; T238-V249 HydrophobicContact CG2-CG2 4.31Å
250S82.2Confident78.7Confident16 Ų1656 Ų5611%0.11230%0.298CS..EExtended strand (participates in β ladder)trans-139.9152.3172.1-650000111.6Y237 W354Y237-S250 PolarHBondContact N-O 2.89Å; Y237-S250 PolarHBondContact O-N 3.42Å; S250-W354 WeakPolarHBondContact OG-CH2 3.21Å; S250-W354 WeakPolarHBondContact OG-CZ2 3.48Å
251W85.3Confident80Confident32 Ų3253 Ų5312%0.12129%0.286CS..EExtended strand (participates in β ladder)trans-113.3122.1-172.1-66.286.3000110F104 F170 C234 I235 K236 H253F104-W251 AromaticContact CD1-CH2 3.92Å; F104-W251 HydrophobicContact CD1-CH2 3.92Å; F104-W251 HydrophobicContact CD1-CZ2 4.11Å; F104-W251 AromaticContact CE1-CH2 3.58Å; F104-W251 HydrophobicContact CE1-CH2 3.58Å; F104-W251 AromaticContact CE1-CZ2 3.39Å; F104-W251 HydrophobicContact CE1-CZ2 3.39Å; F104-W251 HydrophobicContact CZ-CZ2 4.35Å; F170-W251 HydrophobicContact CE2-CB 4.31Å; F170-W251 AromaticContact CE2-CD2 3.72Å; F170-W251 HydrophobicContact CE2-CD2 3.72Å; F170-W251 HydrophobicContact CE2-CE3 4.12Å; F170-W251 AromaticContact CE2-CG 3.77Å; F170-W251 HydrophobicContact CE2-CG 3.77Å; F170-W251 AromaticContact CZ-CD1 3.66Å; F170-W251 HydrophobicContact CZ-CD2 4.07Å; F170-W251 AromaticContact CZ-CG 3.86Å; F170-W251 HydrophobicContact CZ-CG 3.86Å; F170-W251 AromaticContact CZ-NE1 3.76Å; C234-W251 HydrophobicContact CB-CE3 4.14Å; C234-W251 VanDerWaalsContact SG-CE3 3.57Å; I235-W251 WeakPolarHBondContact O-CA 3.13Å; K236-W251 HydrophobicContact CB-CD2 4.37Å; K236-W251 HydrophobicContact CB-CE3 4.03Å; K236-W251 HydrophobicContact CB-CH2 3.66Å; K236-W251 HydrophobicContact CB-CZ2 3.97Å; K236-W251 HydrophobicContact CB-CZ3 3.7Å; K236-W251 HydrophobicContact CD-CH2 3.91Å; K236-W251 HydrophobicContact CD-CZ2 3.75Å; K236-W251 HydrophobicContact CG-CD2 4.48Å; K236-W251 HydrophobicContact CG-CH2 3.88Å; K236-W251 HydrophobicContact CG-CZ2 3.67Å; K236-W251 HydrophobicContact CG-CZ3 4.34Å; W251-H253 PolarHBondContact O-CD2 2.87Å
252L88.5Confident81.4Confident0 Ų047.7 Ų47.70%026%0.263CS..EExtended strand (participates in β ladder)trans-92.8114.8172.3-177.867.3000108.1C234 I235 Y237 I254 L351 P352 F355C234-L252 CarbonylContact C-O 3.56Å; C234-L252 VanDerWaalsContact CA-O 3.27Å; C234-L252 WeakPolarHBondContact CA-O 3.46Å; I235-L252 HydrophobicContact CB-CB 4.4Å; I235-L252 PolarHBondContact N-O 3.17Å; I235-L252 PolarHBondContact O-N 3.18Å; Y237-L252 HydrophobicContact CD2-CB 4.17Å; Y237-L252 HydrophobicContact CE2-CB 4.02Å; Y237-L252 HydrophobicContact CE2-CD2 4.04Å; L252-I254 HydrophobicContact CD2-CD1 4Å; L252-I254 HydrophobicContact CD2-CG1 4.31Å; L252-I254 HydrophobicContact CG-CD1 4.31Å; L252-I254 HydrophobicContact CG-CG1 4.1Å; L252-L351 HydrophobicContact CD1-CD2 4.31Å; L252-L351 HydrophobicContact CD2-CD2 3.96Å; L252-P352 HydrophobicContact CD1-CG 4.4Å; L252-F355 HydrophobicContact CB-CE1 4.02Å; L252-F355 HydrophobicContact CB-CE2 4.12Å; L252-F355 HydrophobicContact CB-CZ 3.62Å; L252-F355 HydrophobicContact CD1-CD2 3.77Å; L252-F355 HydrophobicContact CD1-CE1 4.48Å; L252-F355 HydrophobicContact CD1-CE2 3.44Å; L252-F355 VanDerWaalsContact CD1-CE2 3.44Å; L252-F355 HydrophobicContact CD1-CG 4.4Å; L252-F355 HydrophobicContact CD1-CZ 3.87Å; L252-F355 HydrophobicContact CG-CE2 4.38Å; L252-F355 HydrophobicContact CG-CZ 4.34Å
253H91.5Very high83.3Confident0 Ų045.6 Ų45.60%024%0.24CC..EExtended strand (participates in β ladder)trans-89.9133.1177.9-61.8-89.6000109.3Y168 W251 S268 G269 L282 F284Y168-H253 AromaticContact CZ-ND1 3.74Å; Y168-H253 PolarHBondContact OH-CE1 3.3Å; Y168-H253 PolarHBondContact OH-ND1 3.17Å; W251-H253 PolarHBondContact O-CD2 2.87Å; H253-S268 CarbonylContact O-C 3.57Å; H253-S268 WeakPolarHBondContact O-CA 3.4Å; H253-G269 PolarHBondContact N-O 3.26Å; H253-G269 PolarHBondContact O-N 3.02Å; H253-L282 HydrophobicContact CB-CD1 4.39Å; H253-L282 HydrophobicContact CB-CD2 3.98Å; H253-L282 VanDerWaalsContact CD2-CD1 3.47Å; H253-L282 WeakPolarHBondContact CD2-CD1 3.47Å; H253-F284 HydrophobicContact CB-CE1 4.24Å; H253-F284 HydrophobicContact CB-CZ 4.24Å
254I93.5Very high85.2Confident0 Ų038.7 Ų38.70%020%0.203CC..EExtended strand (participates in β ladder)trans-128.5137.6-175.9-60.7-177.2000110.3R232 F233 I235 L252 V256 I266 W267 L329R232-I254 WeakPolarHBondContact CA-O 3.26Å; F233-I254 HydrophobicContact CD2-CB 4.39Å; F233-I254 HydrophobicContact CE1-CB 4.08Å; F233-I254 HydrophobicContact CE1-CG2 3.79Å; F233-I254 HydrophobicContact CE2-CB 3.97Å; F233-I254 HydrophobicContact CE2-CD1 3.89Å; F233-I254 HydrophobicContact CE2-CG1 4.37Å; F233-I254 HydrophobicContact CE2-CG2 4.29Å; F233-I254 HydrophobicContact CZ-CB 3.8Å; F233-I254 HydrophobicContact CZ-CD1 4.05Å; F233-I254 HydrophobicContact CZ-CG1 4.49Å; F233-I254 HydrophobicContact CZ-CG2 3.61Å; F233-I254 PolarHBondContact N-O 2.92Å; F233-I254 PolarHBondContact O-N 2.95Å; I235-I254 HydrophobicContact CD1-CD1 3.56Å; I235-I254 HydrophobicContact CG1-CD1 4.21Å; L252-I254 HydrophobicContact CD2-CD1 4Å; L252-I254 HydrophobicContact CD2-CG1 4.31Å; L252-I254 HydrophobicContact CG-CD1 4.31Å; L252-I254 HydrophobicContact CG-CG1 4.1Å; I254-V256 HydrophobicContact CG2-CG2 4.04Å; I254-I266 HydrophobicContact CG2-CG2 3.76Å; I254-W267 CarbonylContact C-O 3.58Å; I254-W267 VanDerWaalsContact CA-O 3.3Å; I254-W267 WeakPolarHBondContact CA-O 3.49Å; I254-L329 HydrophobicContact CD1-CD2 4.43Å
255I95.6Very high87.1Confident0 Ų033.9 Ų33.90%018%0.178CC..EExtended strand (participates in β ladder)trans-117.3125.8164.6-61.1165.1000107.5N195 I220 R231 R232 W267 F284N195-I255 VanDerWaalsContact OD1-CD1 3.22Å; N195-I255 WeakPolarHBondContact OD1-CD1 3.37Å; I220-I255 HydrophobicContact CD1-CD1 4.17Å; R231-I255 WeakPolarHBondContact O-CA 3.32Å; R232-I255 HydrophobicContact CG-CG1 4.06Å; I255-W267 HydrophobicContact CB-CB 4.23Å; I255-W267 PolarHBondContact N-O 3.38Å; I255-W267 PolarHBondContact O-N 2.54Å; I255-F284 HydrophobicContact CD1-CD1 3.95Å; I255-F284 HydrophobicContact CD1-CD2 3.82Å; I255-F284 HydrophobicContact CD1-CE1 3.7Å; I255-F284 HydrophobicContact CD1-CE2 3.54Å; I255-F284 HydrophobicContact CD1-CG 4.02Å; I255-F284 HydrophobicContact CD1-CZ 3.48Å; I255-F284 VanDerWaalsContact CD1-CZ 3.48Å; I255-F284 HydrophobicContact CG1-CD1 4.3Å; I255-F284 HydrophobicContact CG1-CE1 3.74Å; I255-F284 HydrophobicContact CG1-CE2 4.33Å; I255-F284 HydrophobicContact CG1-CZ 3.76Å
256V96.6Very high88.8Confident0 Ų026.8 Ų26.80%014%0.14CC..EExtended strand (participates in β ladder)trans-104.1127.9169.4-173.60000107.6L230 R231 F233 I254 T264 E265 I266 I300 I315L230-V256 CarbonylContact C-O 3.53Å; L230-V256 WeakPolarHBondContact CA-O 3.36Å; R231-V256 PolarHBondContact N-O 3.16Å; R231-V256 PolarHBondContact O-N 2.91Å; F233-V256 HydrophobicContact CE1-CG2 3.76Å; F233-V256 HydrophobicContact CZ-CG2 4.36Å; I254-V256 HydrophobicContact CG2-CG2 4.04Å; V256-T264 HydrophobicContact CG1-CG2 3.59Å; V256-E265 CarbonylContact C-O 3.53Å; V256-E265 WeakPolarHBondContact CA-O 3.36Å; V256-I266 HydrophobicContact CG2-CG1 4.44Å; V256-I300 HydrophobicContact CG1-CD1 4.14Å; V256-I300 HydrophobicContact CG1-CG2 4.12Å; V256-I315 HydrophobicContact CG1-CD1 4.35Å; V256-I315 HydrophobicContact CG1-CG2 4.21Å; V256-I315 HydrophobicContact CG2-CD1 3.76Å
257L97.2Very high90.4Very high1 Ų123.1 Ų23.11%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-124.8126.3-173.1177.963.9000110.6V193 R222 C227 L230 L259 T264 E265V193-L257 HydrophobicContact CG2-CD1 3.71Å; V193-L257 HydrophobicContact CG2-CD2 3.84Å; V193-L257 HydrophobicContact CG2-CG 4.4Å; R222-L257 HydrophobicContact CG-CD2 4.41Å; C227-L257 HydrophobicContact CB-CD1 3.83Å; L230-L257 HydrophobicContact CB-CD1 4.36Å; L257-L259 HydrophobicContact CD2-CD2 3.85Å; L257-L259 HydrophobicContact CG-CD2 3.91Å; L257-T264 CarbonylContact O-C 3.56Å; L257-T264 WeakPolarHBondContact O-CA 3.39Å; L257-E265 HydrophobicContact CB-CB 4.45Å; L257-E265 PolarHBondContact N-O 3Å; L257-E265 PolarHBondContact O-N 3.44Å
258G96.6Very high91.7Very high0 Ų017.5 Ų17.50%09%0.091CC..EExtended strand (participates in β ladder)trans-97.1135.4172.300000111.9L228 C229L228-G258 PolarHBondContact N-O 3.16Å; C229-G258 PolarHBondContact O-N 3.08Å
259L97.1Very high92.6Very high1 Ų114.8 Ų14.81%0.0058%0.076CC..EExtended strand (participates in β ladder)trans-115.3162.4-175.7-59.4-179.2000113.2L226 L257 N261 G262 Q263 E265 T297L226-L259 WeakPolarHBondContact O-CA 3.42Å; L257-L259 HydrophobicContact CD2-CD2 3.85Å; L257-L259 HydrophobicContact CG-CD2 3.91Å; L259-N261 VanDerWaalsContact CB-OD1 3.3Å; L259-N261 WeakPolarHBondContact CB-OD1 3.29Å; L259-N261 PolarHBondContact O-N 3.07Å; L259-G262 PolarHBondContact O-N 3.48Å; L259-Q263 WeakPolarHBondContact CB-O 3.49Å; L259-Q263 HydrophobicContact CD1-CB 4.47Å; L259-Q263 PolarHBondContact N-O 3.29Å; L259-E265 HydrophobicContact CD1-CG 4.09Å; L259-E265 WeakPolarHBondContact CD1-OE1 3.45Å; L259-T297 PolarHBondContact O-N 3.03Å
260D95.2Very high93Very high33 Ų3313.4 Ų13.418%0.1767%0.066CC..THydrogen-bonded Turntrans-73.9-1.2174.466.9-9.9000115.1S225 L226 L228 W296S225-D260 WeakPolarHBondContact CA-OD1 3.42Å; S225-D260 WeakPolarHBondContact CB-OD1 3.36Å; S225-D260 PolarHBondContact OG-OD1 2.91Å; L226-D260 HydrophobicContact CB-CB 4.06Å; L226-D260 WeakPolarHBondContact CB-OD2 3.45Å; L226-D260 WeakPolarHBondContact CG-OD2 3.38Å; L226-D260 PolarHBondContact N-OD1 3.07Å; L226-D260 VanDerWaalsContact N-OD1 3.14Å; L226-D260 PolarHBondContact N-OD2 3.04Å; L226-D260 PolarHBondContact O-N 2.91Å; L228-D260 HydrophobicContact CD1-CB 4.13Å; L228-D260 HydrophobicContact CG-CB 4.49Å; D260-W296 VanDerWaalsContact C-CD1 3.5Å; D260-W296 HydrophobicContact CB-CD2 4.06Å; D260-W296 HydrophobicContact CB-CG 4.12Å; D260-W296 HydrophobicContact CB-CZ2 4.43Å; D260-W296 PolarHBondContact O-NE1 2.65Å
261N94.2Very high92.9Very high68 Ų6813.9 Ų13.936%0.3647%0.067SC..THydrogen-bonded Turntrans-102.39.1174.9658.5000112.3S225 L259 Q263S225-N261 PolarHBondContact OG-ND2 2.97Å; S225-N261 VanDerWaalsContact OG-ND2 3.16Å; L259-N261 VanDerWaalsContact CB-OD1 3.3Å; L259-N261 WeakPolarHBondContact CB-OD1 3.29Å; L259-N261 PolarHBondContact O-N 3.07Å; N261-Q263 PolarHBondContact O-N 3.38Å; N261-Q263 WeakPolarHBondContact OD1-CB 3.18Å; N261-Q263 WeakPolarHBondContact OD1-CG 3.39Å; N261-Q263 PolarHBondContact OD1-N 3Å
262G93.1Very high92.1Very high2 Ų216.1 Ų16.12%0.0218%0.084CC..SBendtrans76.34.4-176.400000115.2L259 D295L259-G262 PolarHBondContact O-N 3.48Å; G262-D295 WeakPolarHBondContact CA-O 3.24Å
263Q94.7Very high90.7Very high71 Ų7122.1 Ų22.133%0.33212%0.116SC..EExtended strand (participates in β ladder)trans-86146.6173.4-58.3-179-600111.1L259 N261 T289L259-Q263 WeakPolarHBondContact CB-O 3.49Å; L259-Q263 HydrophobicContact CD1-CB 4.47Å; L259-Q263 PolarHBondContact N-O 3.29Å; N261-Q263 PolarHBondContact O-N 3.38Å; N261-Q263 WeakPolarHBondContact OD1-CB 3.18Å; N261-Q263 WeakPolarHBondContact OD1-CG 3.39Å; N261-Q263 PolarHBondContact OD1-N 3Å; Q263-T289 HydrophobicContact CB-CG2 4.09Å; Q263-T289 HydrophobicContact CG-CG2 4.34Å
264T95.5Very high88.5Confident2 Ų225.2 Ų25.21%0.01214%0.138CC..EExtended strand (participates in β ladder)trans-117133.9168-58.60000108.7V256 L257 I290 I300 T317V256-T264 HydrophobicContact CG1-CG2 3.59Å; L257-T264 CarbonylContact O-C 3.56Å; L257-T264 WeakPolarHBondContact O-CA 3.39Å; T264-I290 PolarHBondContact N-O 2.89Å; T264-I290 WeakPolarHBondContact O-CA 3.28Å; T264-I290 PolarHBondContact O-N 2.94Å; T264-I300 HydrophobicContact CG2-CD1 4.17Å; T264-T317 HydrophobicContact CG2-CG2 4.12Å
265E95.7Very high85.9Confident6 Ų634.7 Ų34.73%0.02818%0.182CC..EExtended strand (participates in β ladder)trans-118.9140.7-174.8-59.4-179.2154.700111.1R222 V256 L257 L259 W267 L286 T289R222-E265 VanDerWaalsContact CZ-CD 3.43Å; R222-E265 IonicContact CZ-OE1 3.51Å; R222-E265 IonicContact CZ-OE2 2.8Å; R222-E265 IonicContact NE-OE1 2.8Å; R222-E265 PolarHBondContact NE-OE1 3.48Å; R222-E265 IonicContact NE-OE2 2.64Å; R222-E265 PolarHBondContact NE-OE2 3.09Å; R222-E265 IonicContact NH2-OE1 3.36Å; R222-E265 PolarHBondContact NH2-OE1 3.11Å; R222-E265 IonicContact NH2-OE2 3.91Å; R222-E265 PolarHBondContact NH2-OE2 3.42Å; V256-E265 CarbonylContact C-O 3.53Å; V256-E265 WeakPolarHBondContact CA-O 3.36Å; L257-E265 HydrophobicContact CB-CB 4.45Å; L257-E265 PolarHBondContact N-O 3Å; L257-E265 PolarHBondContact O-N 3.44Å; L259-E265 HydrophobicContact CD1-CG 4.09Å; L259-E265 WeakPolarHBondContact CD1-OE1 3.45Å; E265-W267 PolarHBondContact OE2-NE1 3.31Å; E265-L286 HydrophobicContact CB-CD1 4.06Å; E265-L286 HydrophobicContact CG-CD1 4.48Å; E265-T289 HydrophobicContact CG-CG2 4.3Å
266I96Very high83Confident0 Ų041.3 Ų41.30%022%0.217CC..EExtended strand (participates in β ladder)trans-112118.7175.4-56.2-171.3000107.9I254 V256 S287 A288 I290 I315 L329 L349I254-I266 HydrophobicContact CG2-CG2 3.76Å; V256-I266 HydrophobicContact CG2-CG1 4.44Å; I266-S287 WeakPolarHBondContact O-CA 3.44Å; I266-S287 WeakPolarHBondContact O-CB 3.27Å; I266-S287 PolarHBondContact O-N 3.43Å; I266-A288 HydrophobicContact CB-CB 4.48Å; I266-A288 PolarHBondContact N-O 3.09Å; I266-A288 PolarHBondContact O-N 3.32Å; I266-A288 VanDerWaalsContact O-N 3.16Å; I266-I290 HydrophobicContact CD1-CD1 3.49Å; I266-I290 VanDerWaalsContact CD1-CD1 3.49Å; I266-I290 HydrophobicContact CD1-CG1 4.43Å; I266-I290 HydrophobicContact CG1-CD1 3.95Å; I266-I315 HydrophobicContact CD1-CD1 3.8Å; I266-L329 HydrophobicContact CD1-CD1 3.87Å; I266-L329 HydrophobicContact CD1-CD2 4.09Å; I266-L329 HydrophobicContact CD1-CG 4.41Å; I266-L349 HydrophobicContact CG2-CD2 4.06Å
267W95Very high80.1Confident25 Ų2549.8 Ų49.810%0.09526%0.257CS..EExtended strand (participates in β ladder)trans-108.3137.5174-67.577.3000108.9I220 R222 I254 I255 E265 F284 T285 L286I220-W267 HydrophobicContact CB-CH2 4.38Å; I220-W267 HydrophobicContact CB-CZ2 4.34Å; I220-W267 HydrophobicContact CD1-CB 4.4Å; I220-W267 HydrophobicContact CD1-CD2 3.75Å; I220-W267 HydrophobicContact CD1-CE3 3.9Å; I220-W267 HydrophobicContact CD1-CG 3.99Å; I220-W267 HydrophobicContact CD1-CZ3 4.4Å; I220-W267 HydrophobicContact CG1-CD2 4.22Å; I220-W267 HydrophobicContact CG1-CE3 4.01Å; I220-W267 HydrophobicContact CG1-CH2 4.17Å; I220-W267 HydrophobicContact CG1-CZ2 4.34Å; I220-W267 HydrophobicContact CG1-CZ3 4Å; I220-W267 HydrophobicContact CG2-CD2 4.31Å; I220-W267 HydrophobicContact CG2-CH2 3.58Å; I220-W267 HydrophobicContact CG2-CZ2 3.19Å; I220-W267 HydrophobicContact CG2-CZ3 4.28Å; R222-W267 VanDerWaalsContact CZ-CZ2 3.4Å; I254-W267 CarbonylContact C-O 3.58Å; I254-W267 VanDerWaalsContact CA-O 3.3Å; I254-W267 WeakPolarHBondContact CA-O 3.49Å; I255-W267 HydrophobicContact CB-CB 4.23Å; I255-W267 PolarHBondContact N-O 3.38Å; I255-W267 PolarHBondContact O-N 2.54Å; E265-W267 PolarHBondContact OE2-NE1 3.31Å; W267-F284 HydrophobicContact CB-CB 4.48Å; W267-F284 HydrophobicContact CB-CD1 4.19Å; W267-F284 HydrophobicContact CE3-CB 4.16Å; W267-T285 CarbonylContact C-O 3.54Å; W267-T285 VanDerWaalsContact CA-O 3.27Å; W267-T285 WeakPolarHBondContact CA-O 3.48Å; W267-L286 HydrophobicContact CD2-CB 4.23Å; W267-L286 HydrophobicContact CD2-CD1 4.22Å; W267-L286 HydrophobicContact CE3-CB 4.13Å; W267-L286 VanDerWaalsContact CE3-N 3.32Å; W267-L286 HydrophobicContact CG-CD1 4.47Å; W267-L286 HydrophobicContact CH2-CB 4.12Å; W267-L286 HydrophobicContact CZ2-CB 4.22Å; W267-L286 HydrophobicContact CZ2-CD1 4.19Å; W267-L286 HydrophobicContact CZ3-CB 4.07Å
268S93.4Very high77.5Confident0 Ų056.5 Ų56.50%029%0.293CS..EExtended strand (participates in β ladder)trans-127.9150.7176.4710000112.3H253 F284 T285 S287 P352H253-S268 CarbonylContact O-C 3.57Å; H253-S268 WeakPolarHBondContact O-CA 3.4Å; S268-F284 CarbonylContact O-C 3.54Å; S268-F284 WeakPolarHBondContact O-CA 3.37Å; S268-T285 PolarHBondContact N-O 2.81Å; S268-T285 PolarHBondContact O-N 3.3Å; S268-T285 PolarHBondContact O-OG1 2.79Å; S268-S287 WeakPolarHBondContact CB-OG 3.4Å; S268-S287 PolarHBondContact OG-OG 3.13Å; S268-P352 WeakPolarHBondContact OG-CD 3.49Å
269G90.4Very high75.1Confident0 Ų060.8 Ų60.80%032%0.319CS..EExtended strand (participates in β ladder)trans-142.8153.8-178.600000111H253 N283H253-G269 PolarHBondContact N-O 3.26Å; H253-G269 PolarHBondContact O-N 3.02Å; G269-N283 VanDerWaalsContact CA-O 3.23Å; G269-N283 WeakPolarHBondContact CA-O 3.34Å
270H86.4Confident73.1Confident25 Ų2564 Ų6412%0.11633%0.334CS..EExtended strand (participates in β ladder)trans-121135.5177.3-178.9-112.3000109.3V272 P352 W354 F355H270-V272 PolarHBondContact O-N 3.5Å; H270-P352 HydrophobicContact CB-CB 4Å; H270-P352 HydrophobicContact CB-CG 4.24Å; H270-W354 AromaticContact CE1-CD1 3.85Å; H270-W354 AromaticContact CE1-CD2 3.92Å; H270-W354 AromaticContact CE1-CG 3.65Å; H270-W354 AromaticContact NE2-CD2 3.79Å; H270-W354 AromaticContact NE2-CE3 4Å; H270-W354 AromaticContact NE2-CG 4Å; H270-F355 HydrophobicContact CB-CD2 4.44Å; H270-F355 HydrophobicContact CB-CE2 3.87Å; H270-F355 AromaticContact CD2-CE2 3.34Å; H270-F355 WeakPolarHBondContact CD2-CE2 3.49Å; H270-F355 AromaticContact CD2-CZ 3.69Å; H270-F355 AromaticContact CG-CE2 3.84Å
271L79.9Confident71.5Confident26 Ų2664.9 Ų64.914%0.13634%0.343CS..EExtended strand (participates in β ladder)trans-79.6111.7173.9-168.272.2000108.9F184 E280 L282F184-L271 HydrophobicContact CZ-CD1 4.04Å; L271-E280 HydrophobicContact CD1-CB 3.86Å; L271-E280 HydrophobicContact CD1-CG 4.08Å; L271-L282 HydrophobicContact CB-CD1 3.72Å; L271-L282 HydrophobicContact CD1-CB 4.49Å; L271-L282 HydrophobicContact CD1-CD1 3.67Å; L271-L282 HydrophobicContact CG-CD1 4.33Å
272V68.8Low70.7Confident78 Ų7861.7 Ų61.747%0.47333%0.325SS..EExtended strand (participates in β ladder)trans-95.9109.8174-175.20000107.8H270 S274H270-V272 PolarHBondContact O-N 3.5Å; V272-S274 PolarHBondContact O-N 3.48Å; V272-S274 VanDerWaalsContact O-N 3.08Å
273N57.8Low70.1Confident127 Ų12766.8 Ų66.868%0.67935%0.352SS*.  trans-69104.7168.9-75.1-0.5000107.7
274S45.8Very low69.8Low64 Ų6464.4 Ų64.445%0.44834%0.341SS..  trans-83.3138.3170.7700000109.3V272 N276V272-S274 PolarHBondContact O-N 3.48Å; V272-S274 VanDerWaalsContact O-N 3.08Å; S274-N276 PolarHBondContact O-N 3.18Å
275E39.7Very low69.6Low199 Ų19967.5 Ų67.593%0.9336%0.36SS*.SBendtrans-66.6-4.8-177.5-65.6-176.516100113.8
276N33.4Very low69.4Low139 Ų13970 Ų7074%0.74337%0.373SS*.SBendtrans-99.9119.9175.4-76.3-28.1000110.3S274 N278S274-N276 PolarHBondContact O-N 3.18Å; N276-N278 PolarHBondContact O-N 3.46Å
277E35.4Very low69.3Low178 Ų17870.2 Ų70.283%0.83238%0.375SS*.THydrogen-bonded Turntrans-44.8128.9-175.5-61.9176.7158.300113.7
278N43.4Very low69.2Low143 Ų14369.6 Ų69.677%0.76538%0.375SS*.THydrogen-bonded Turntrans93.48.6155.5-54.8-34.6000121.4N276N276-N278 PolarHBondContact O-N 3.46Å
279V45.9Very low69.2Low89 Ų8972.5 Ų72.554%0.53939%0.392SS..  trans-131.694.9168.3-169.50000111.9S281V279-S281 PolarHBondContact O-N 3.22Å; V279-S281 VanDerWaalsContact O-N 3.15Å
280E55.2Low69.3Low70 Ų7072.9 Ų72.933%0.32740%0.395SS..  trans-66101.2164.1-80.4177.4-168.100109.4T182 L271T182-E280 PolarHBondContact OG1-OE2 3.15Å; L271-E280 HydrophobicContact CD1-CB 3.86Å; L271-E280 HydrophobicContact CD1-CG 4.08Å
281S62.6Low69.4Low51 Ų5176 Ų7636%0.35742%0.419SS..EExtended strand (participates in β ladder)trans-90.4108.1176.864.90000110.6V279V279-S281 PolarHBondContact O-N 3.22Å; V279-S281 VanDerWaalsContact O-N 3.15Å
282L75.7Confident69.9Low0 Ų075.8 Ų75.80%042%0.423CS..EExtended strand (participates in β ladder)trans-103.895.3175.2-159.796.7000110.4F184 I217 H253 L271 F284F184-L282 HydrophobicContact CD1-CD2 4.45Å; F184-L282 HydrophobicContact CE1-CB 4.49Å; F184-L282 HydrophobicContact CE1-CD2 4.46Å; I217-L282 HydrophobicContact CD1-CB 4.38Å; I217-L282 HydrophobicContact CG2-CB 3.81Å; I217-L282 VanDerWaalsContact CG2-N 3.27Å; I217-L282 WeakPolarHBondContact CG2-O 3.24Å; H253-L282 HydrophobicContact CB-CD1 4.39Å; H253-L282 HydrophobicContact CB-CD2 3.98Å; H253-L282 VanDerWaalsContact CD2-CD1 3.47Å; H253-L282 WeakPolarHBondContact CD2-CD1 3.47Å; L271-L282 HydrophobicContact CB-CD1 3.72Å; L271-L282 HydrophobicContact CD1-CB 4.49Å; L271-L282 HydrophobicContact CD1-CD1 3.67Å; L271-L282 HydrophobicContact CG-CD1 4.33Å; L282-F284 HydrophobicContact CD2-CD2 4.43Å; L282-F284 HydrophobicContact CD2-CE1 4.43Å; L282-F284 HydrophobicContact CD2-CE2 3.49Å; L282-F284 VanDerWaalsContact CD2-CE2 3.49Å; L282-F284 HydrophobicContact CD2-CZ 3.48Å; L282-F284 VanDerWaalsContact CD2-CZ 3.48Å; L282-F284 HydrophobicContact CG-CE2 4.46Å
283N81.2Confident71.1Confident110 Ų11072.7 Ų72.759%0.58840%0.404SS*.EExtended strand (participates in β ladder)trans-89129177.6-73-21.8000110.9G269G269-N283 VanDerWaalsContact CA-O 3.23Å; G269-N283 WeakPolarHBondContact CA-O 3.34Å
284F88.6Confident72.9Confident21 Ų2174.9 Ų74.99%0.09241%0.41CS..EExtended strand (participates in β ladder)trans-95.1134.4175-77.1-79.7000111.4I220 R232 H253 I255 W267 S268 L282I220-F284 HydrophobicContact CD1-CB 4.31Å; R232-F284 VanDerWaalsContact NH1-CZ 3.31Å; H253-F284 HydrophobicContact CB-CE1 4.24Å; H253-F284 HydrophobicContact CB-CZ 4.24Å; I255-F284 HydrophobicContact CD1-CD1 3.95Å; I255-F284 HydrophobicContact CD1-CD2 3.82Å; I255-F284 HydrophobicContact CD1-CE1 3.7Å; I255-F284 HydrophobicContact CD1-CE2 3.54Å; I255-F284 HydrophobicContact CD1-CG 4.02Å; I255-F284 HydrophobicContact CD1-CZ 3.48Å; I255-F284 VanDerWaalsContact CD1-CZ 3.48Å; I255-F284 HydrophobicContact CG1-CD1 4.3Å; I255-F284 HydrophobicContact CG1-CE1 3.74Å; I255-F284 HydrophobicContact CG1-CE2 4.33Å; I255-F284 HydrophobicContact CG1-CZ 3.76Å; W267-F284 HydrophobicContact CB-CB 4.48Å; W267-F284 HydrophobicContact CB-CD1 4.19Å; W267-F284 HydrophobicContact CE3-CB 4.16Å; S268-F284 CarbonylContact O-C 3.54Å; S268-F284 WeakPolarHBondContact O-CA 3.37Å; L282-F284 HydrophobicContact CD2-CD2 4.43Å; L282-F284 HydrophobicContact CD2-CE1 4.43Å; L282-F284 HydrophobicContact CD2-CE2 3.49Å; L282-F284 VanDerWaalsContact CD2-CE2 3.49Å; L282-F284 HydrophobicContact CD2-CZ 3.48Å; L282-F284 VanDerWaalsContact CD2-CZ 3.48Å; L282-F284 HydrophobicContact CG-CE2 4.46Å
285T90.5Very high75.2Confident66 Ų6674.2 Ų74.241%0.40540%0.401SS..EExtended strand (participates in β ladder)trans-115148.1169.455.80000110W267 S268 S287W267-T285 CarbonylContact C-O 3.54Å; W267-T285 VanDerWaalsContact CA-O 3.27Å; W267-T285 WeakPolarHBondContact CA-O 3.48Å; S268-T285 PolarHBondContact N-O 2.81Å; S268-T285 PolarHBondContact O-N 3.3Å; S268-T285 PolarHBondContact O-OG1 2.79Å; T285-S287 PolarHBondContact O-N 3.35Å
286L93.1Very high77.9Confident59 Ų5969 Ų6931%0.30937%0.373SS..EExtended strand (participates in β ladder)trans-71.3115.4174177.967000108.7R222 E265 W267R222-L286 VanDerWaalsContact NH2-CD1 3.33Å; E265-L286 HydrophobicContact CB-CD1 4.06Å; E265-L286 HydrophobicContact CG-CD1 4.48Å; W267-L286 HydrophobicContact CD2-CB 4.23Å; W267-L286 HydrophobicContact CD2-CD1 4.22Å; W267-L286 HydrophobicContact CE3-CB 4.13Å; W267-L286 VanDerWaalsContact CE3-N 3.32Å; W267-L286 HydrophobicContact CG-CD1 4.47Å; W267-L286 HydrophobicContact CH2-CB 4.12Å; W267-L286 HydrophobicContact CZ2-CB 4.22Å; W267-L286 HydrophobicContact CZ2-CD1 4.19Å; W267-L286 HydrophobicContact CZ3-CB 4.07Å
287S92.8Very high80.9Confident5 Ų562.4 Ų62.44%0.03534%0.338CS..EExtended strand (participates in β ladder)trans-95.8-37.4-176.2-66.30000113.6I266 S268 T285 Q350I266-S287 WeakPolarHBondContact O-CA 3.44Å; I266-S287 WeakPolarHBondContact O-CB 3.27Å; I266-S287 PolarHBondContact O-N 3.43Å; S268-S287 WeakPolarHBondContact CB-OG 3.4Å; S268-S287 PolarHBondContact OG-OG 3.13Å; T285-S287 PolarHBondContact O-N 3.35Å; S287-Q350 WeakPolarHBondContact CA-O 3.3Å; S287-Q350 VanDerWaalsContact CB-O 3.26Å; S287-Q350 WeakPolarHBondContact CB-O 3.24Å; S287-Q350 PolarHBondContact O-N 3.16Å; S287-Q350 PolarHBondContact OG-O 3.16Å
288A93.3Very high83.7Confident12 Ų1257.3 Ų57.310%0.09931%0.311CS..EExtended strand (participates in β ladder)trans-157.3149.9176.600000111.3I266 L349 V364I266-A288 HydrophobicContact CB-CB 4.48Å; I266-A288 PolarHBondContact N-O 3.09Å; I266-A288 PolarHBondContact O-N 3.32Å; I266-A288 VanDerWaalsContact O-N 3.16Å; A288-L349 HydrophobicContact CB-CD1 4.41Å; A288-L349 HydrophobicContact CB-CG 4.14Å; A288-V364 HydrophobicContact CB-CG1 4.41Å
289T93.7Very high86.2Confident60 Ų6051 Ų5137%0.36828%0.278SS..EExtended strand (participates in β ladder)trans-114.4117.8165.4-600000108Q263 E265Q263-T289 HydrophobicContact CB-CG2 4.09Å; Q263-T289 HydrophobicContact CG-CG2 4.34Å; E265-T289 HydrophobicContact CG-CG2 4.3Å
290I91.9Very high88.6Confident9 Ų947 Ų475%0.04625%0.253CS..EExtended strand (participates in β ladder)trans-97.5120.8179.5-55.4175.7000107.2T264 I266 W327 V364T264-I290 PolarHBondContact N-O 2.89Å; T264-I290 WeakPolarHBondContact O-CA 3.28Å; T264-I290 PolarHBondContact O-N 2.94Å; I266-I290 HydrophobicContact CD1-CD1 3.49Å; I266-I290 VanDerWaalsContact CD1-CD1 3.49Å; I266-I290 HydrophobicContact CD1-CG1 4.43Å; I266-I290 HydrophobicContact CG1-CD1 3.95Å; I290-W327 HydrophobicContact CG2-CD2 3.54Å; I290-W327 HydrophobicContact CG2-CE3 3.32Å; I290-W327 HydrophobicContact CG2-CG 4.47Å; I290-W327 HydrophobicContact CG2-CH2 3.21Å; I290-W327 HydrophobicContact CG2-CZ2 3.42Å; I290-W327 VanDerWaalsContact CG2-CZ2 3.42Å; I290-W327 HydrophobicContact CG2-CZ3 3.15Å; I290-V364 HydrophobicContact CD1-CB 4.41Å; I290-V364 HydrophobicContact CD1-CG1 4.11Å; I290-V364 HydrophobicContact CD1-CG2 3.61Å; I290-V364 HydrophobicContact CG1-CG1 4.18Å; I290-V364 HydrophobicContact CG1-CG2 4.45Å
291S89.6Confident90.5Very high90 Ų9044.2 Ų44.263%0.62924%0.241SC*.EExtended strand (participates in β ladder)trans-111141.3179.252.50000109.7
292G88.5Confident92Very high22 Ų2243 Ų4323%0.22723%0.231CC..  trans-176.2-60.7-177.500000112.3R325G292-R325 VanDerWaalsContact CA-CZ 3.46Å; G292-R325 PolarHBondContact O-NH1 3.5Å; G292-R325 PolarHBondContact O-NH2 3.42Å
293H95Very high92.8Very high13 Ų1343.6 Ų43.66%0.0624%0.235CC..  trans-59.2143.1-178.6-71.1-77.6000111.1D295 T317 G319 D321 I323H293-D295 WeakPolarHBondContact CB-O 3.34Å; H293-T317 PolarHBondContact NE2-O 2.86Å; H293-T317 PolarHBondContact NE2-OG1 3.33Å; H293-G319 PolarHBondContact CE1-N 3.4Å; H293-D321 WeakPolarHBondContact CA-OD2 3.3Å; H293-D321 WeakPolarHBondContact CB-OD2 3.38Å; H293-D321 IonicContact CE1-OD1 3.94Å; H293-D321 IonicContact CG-OD1 2.88Å; H293-D321 IonicContact CG-OD2 3.65Å; H293-D321 IonicContact ND1-OD1 3.8Å; H293-D321 PolarHBondContact ND1-OD1 3.2Å; H293-D321 IonicContact ND1-OD2 2.77Å; H293-D321 PolarHBondContact ND1-OD2 2.89Å; H293-D321 VanDerWaalsContact ND1-OD2 3.12Å; H293-I323 PolarHBondContact CE1-O 3.32Å; H293-I323 VanDerWaalsContact CE1-O 3.29Å
294Q94.7Very high93.1Very high172 Ų17240.2 Ų40.280%0.80422%0.217SC*.SBendtrans-90.6-8.8179.3-64.7-175.7-12.600112.8D321Q294-D321 HydrophobicContact CB-CB 4.23Å; Q294-D321 PolarHBondContact N-OD2 3.2Å
295D95Very high92.7Very high51 Ų5140.4 Ų40.427%0.27322%0.219SC..SBendtrans-147.8-177.2-179.6-158.2-8.4000108.9G262 H293 T297 Q320 D321G262-D295 WeakPolarHBondContact CA-O 3.24Å; H293-D295 WeakPolarHBondContact CB-O 3.34Å; D295-T297 PolarHBondContact O-N 3.35Å; D295-Q320 HydrophobicContact CB-CB 3.93Å; D295-Q320 WeakPolarHBondContact OD2-CG 3.49Å; D295-Q320 PolarHBondContact OD2-NE2 3.37Å; D295-D321 HydrophobicContact CB-CB 4.23Å
296W95.9Very high91.6Very high90 Ų9042.1 Ų42.134%0.34122%0.222SC..  trans-49.2132.7-169.9-64.915000113.6L228 D260 R298 G319 Q320L228-W296 HydrophobicContact CD1-CB 3.74Å; L228-W296 HydrophobicContact CD1-CD2 4.14Å; L228-W296 HydrophobicContact CD1-CE3 3.94Å; L228-W296 HydrophobicContact CD1-CG 4.09Å; L228-W296 HydrophobicContact CD2-CE3 4.44Å; D260-W296 VanDerWaalsContact C-CD1 3.5Å; D260-W296 HydrophobicContact CB-CD2 4.06Å; D260-W296 HydrophobicContact CB-CG 4.12Å; D260-W296 HydrophobicContact CB-CZ2 4.43Å; D260-W296 PolarHBondContact O-NE1 2.65Å; W296-R298 HydrophobicContact CB-CG 4.37Å; W296-R298 PolarHBondContact O-N 3.49Å; W296-G319 CarbonylContact O-C 3.56Å; W296-G319 VanDerWaalsContact O-CA 3.28Å; W296-G319 WeakPolarHBondContact O-CA 3.15Å; W296-Q320 HydrophobicContact CB-CB 4.1Å; W296-Q320 PolarHBondContact O-N 3.26Å
297T96.4Very high90.2Very high0 Ų046.5 Ų46.50%024%0.241CC..EExtended strand (participates in β ladder)trans-83107170.7-55.40000109.3C229 L259 D295 I300C229-T297 PolarHBondContact SG-O 2.91Å; L259-T297 PolarHBondContact O-N 3.03Å; D295-T297 PolarHBondContact O-N 3.35Å; T297-I300 HydrophobicContact CG2-CD1 4.17Å; T297-I300 HydrophobicContact CG2-CG1 4.14Å
298R93.7Very high88.6Confident70 Ų7050.6 Ų50.626%0.26426%0.262SS..EExtended strand (participates in β ladder)trans-97-31.6-168-72-140.2175.9-163.12.2115C229 W296 G318 W376C229-R298 WeakPolarHBondContact CB-O 3.48Å; W296-R298 HydrophobicContact CB-CG 4.37Å; W296-R298 PolarHBondContact O-N 3.49Å; R298-G318 PolarHBondContact N-O 3.49Å; R298-W376 VanDerWaalsContact NH2-CZ3 3.35Å
299C95.8Very high86.8Confident11 Ų1156.1 Ų56.17%0.07430%0.295CS..EExtended strand (participates in β ladder)trans-143.1144-175.952.30000110.9T317 G318 V380C299-T317 WeakPolarHBondContact O-CA 3.4Å; C299-G318 PolarHBondContact N-O 3Å; C299-G318 PolarHBondContact O-N 2.93Å; C299-V380 HydrophobicContact CB-CG2 3.96Å
300I96.7Very high85.6Confident4 Ų454 Ų542%0.02128%0.282CS..EExtended strand (participates in β ladder)trans-140.3140.6-177.3-61.2175000108.6C229 R231 V256 T264 T297 I315 V316 T317C229-I300 VanDerWaalsContact SG-CD1 3.58Å; C229-I300 VanDerWaalsContact SG-CG1 3.55Å; R231-I300 HydrophobicContact CB-CG2 4.28Å; R231-I300 HydrophobicContact CG-CB 4.36Å; R231-I300 HydrophobicContact CG-CG2 3.96Å; R231-I300 PolarHBondContact NE-O 2.82Å; R231-I300 PolarHBondContact NH2-O 2.9Å; R231-I300 VanDerWaalsContact NH2-O 3.15Å; V256-I300 HydrophobicContact CG1-CD1 4.14Å; V256-I300 HydrophobicContact CG1-CG2 4.12Å; T264-I300 HydrophobicContact CG2-CD1 4.17Å; T297-I300 HydrophobicContact CG2-CD1 4.17Å; T297-I300 HydrophobicContact CG2-CG1 4.14Å; I300-I315 HydrophobicContact CG2-CG2 4.09Å; I300-V316 WeakPolarHBondContact CA-O 3.02Å; I300-T317 HydrophobicContact CG1-CG2 4.1Å
301D96.1Very high84.8Confident13 Ų1354 Ų547%0.0728%0.283CS..EExtended strand (participates in β ladder)trans-142.9158.7166.9-147.135.7000111.3R231 V316 V380 R381 W382R231-D301 IonicContact CZ-OD1 3.85Å; R231-D301 IonicContact NE-OD1 3.04Å; R231-D301 PolarHBondContact NE-OD1 2.82Å; R231-D301 IonicContact NH2-OD1 2.72Å; D301-V316 HydrophobicContact CB-CG1 3.77Å; D301-V316 PolarHBondContact N-O 2.98Å; D301-V316 VanDerWaalsContact N-O 3.1Å; D301-V316 WeakPolarHBondContact O-CG1 3.45Å; D301-V316 PolarHBondContact O-N 2.98Å; D301-V380 HydrophobicContact CB-CG2 4.33Å; D301-V380 WeakPolarHBondContact CB-O 3.41Å; D301-R381 IonicContact OD1-CZ 2.85Å; D301-R381 IonicContact OD1-NH1 3.11Å; D301-R381 PolarHBondContact OD1-NH1 2.81Å; D301-R381 WeakPolarHBondContact OD2-CA 3.41Å; D301-R381 VanDerWaalsContact OD2-CD 3.28Å; D301-R381 WeakPolarHBondContact OD2-CD 2.95Å; D301-R381 IonicContact OD2-NH1 2.94Å; D301-W382 PolarHBondContact OD2-N 2.86Å
302V94.3Very high84.6Confident25 Ų2550 Ų5015%0.15226%0.255CS..EExtended strand (participates in β ladder)trans-135.3136-174.1-176.80000109.3R231 F233 I304 V313 L314 I315R231-V302 HydrophobicContact CB-CG2 3.92Å; R231-V302 HydrophobicContact CG-CG2 4.23Å; F233-V302 HydrophobicContact CD1-CB 4.34Å; F233-V302 HydrophobicContact CD1-CG1 4.07Å; F233-V302 HydrophobicContact CD1-CG2 4.17Å; F233-V302 HydrophobicContact CE1-CB 4.28Å; F233-V302 HydrophobicContact CE1-CG1 3.81Å; F233-V302 HydrophobicContact CE1-CG2 3.84Å; F233-V302 HydrophobicContact CE2-CG1 4.36Å; F233-V302 HydrophobicContact CG-CG1 4.47Å; F233-V302 HydrophobicContact CZ-CG1 3.97Å; V302-I304 HydrophobicContact CG1-CG1 4.22Å; V302-V313 HydrophobicContact CG1-CG1 3.44Å; V302-V313 VanDerWaalsContact CG1-CG1 3.44Å; V302-L314 WeakPolarHBondContact CA-O 3.37Å; V302-I315 HydrophobicContact CG2-CG1 4.21Å; V302-I315 HydrophobicContact CG2-CG2 4.45Å
303C91.1Very high84.7Confident13 Ų1349 Ų499%0.08824%0.244CC..EExtended strand (participates in β ladder)trans-123.3147.9166700000110V313 L314 W382 F390 P392C303-V313 WeakPolarHBondContact O-CA 3.29Å; C303-L314 PolarHBondContact N-O 3.5Å; C303-L314 PolarHBondContact O-N 2.72Å; C303-W382 HydrophobicContact CB-CB 3.96Å; C303-W382 HydrophobicContact CB-CD2 4.1Å; C303-W382 HydrophobicContact CB-CG 3.65Å; C303-F390 HydrophobicContact CB-CE2 4.45Å; C303-P392 HydrophobicContact CB-CG 4.48Å
304I87.4Confident84.6Confident38 Ų3848.4 Ų48.420%0.19524%0.242CC..EExtended strand (participates in β ladder)trans-129.5127-172.4-52.6176.6000107.3F233 V302 Q306 P311 V313F233-I304 HydrophobicContact CB-CD1 4.16Å; F233-I304 HydrophobicContact CD2-CD1 3.57Å; F233-I304 HydrophobicContact CD2-CG1 4.47Å; F233-I304 HydrophobicContact CE2-CD1 4.27Å; F233-I304 HydrophobicContact CG-CD1 4.12Å; V302-I304 HydrophobicContact CG1-CG1 4.22Å; I304-Q306 HydrophobicContact CG2-CG 3.69Å; I304-P311 HydrophobicContact CG2-CB 4.42Å; I304-V313 HydrophobicContact CB-CG2 4.45Å; I304-V313 HydrophobicContact CG1-CG1 4.34Å; I304-V313 HydrophobicContact CG1-CG2 4.07Å; I304-V313 HydrophobicContact CG2-CG2 4.04Å
305D81.4Confident84.7Confident25 Ų2540.3 Ų40.313%0.13420%0.204CC..EExtended strand (participates in β ladder)trans-92.1112164.1-175.50.6000108.8E307 L308 P311 V312 F390D305-E307 PolarHBondContact OD1-N 2.88Å; D305-L308 VanDerWaalsContact OD2-CD1 3.32Å; D305-L308 WeakPolarHBondContact OD2-CD1 3.35Å; D305-P311 VanDerWaalsContact O-CA 3.24Å; D305-P311 WeakPolarHBondContact O-CA 3.35Å; D305-P311 WeakPolarHBondContact O-CB 3.33Å; D305-V312 PolarHBondContact N-O 3.22Å; D305-V312 PolarHBondContact O-N 3.24Å; D305-F390 HydrophobicContact CB-CD1 4.06Å; D305-F390 HydrophobicContact CB-CD2 3.84Å; D305-F390 HydrophobicContact CB-CE1 4.1Å; D305-F390 HydrophobicContact CB-CE2 3.88Å; D305-F390 HydrophobicContact CB-CG 3.92Å; D305-F390 HydrophobicContact CB-CZ 4Å
306Q67.9Low84.8Confident102 Ų10237.9 Ų37.948%0.47719%0.191SC..  trans-100.7-0.9177.4-65.5-169.3-5.100113I304 L308I304-Q306 HydrophobicContact CG2-CG 3.69Å; Q306-L308 VanDerWaalsContact C-N 3.27Å; Q306-L308 PolarHBondContact O-N 2.73Å
307E63.3Low84.8Confident152 Ų15233.6 Ų33.671%0.7117%0.174SC*.SBendtrans-73.8-24.7-178.5-65-164.9173.200112D305D305-E307 PolarHBondContact OD1-N 2.88Å
308L58.1Low84.9Confident91 Ų9133.6 Ų33.648%0.47617%0.174SC..SBendtrans-79.6145177.7-68.5161.9000111.6D305 Q306 S310 V312D305-L308 VanDerWaalsContact OD2-CD1 3.32Å; D305-L308 WeakPolarHBondContact OD2-CD1 3.35Å; Q306-L308 VanDerWaalsContact C-N 3.27Å; Q306-L308 PolarHBondContact O-N 2.73Å; L308-S310 WeakPolarHBondContact CB-O 3.27Å; L308-S310 CarbonylContact O-C 3.51Å; L308-S310 PolarHBondContact O-N 2.92Å; L308-S310 VanDerWaalsContact O-N 3.08Å; L308-V312 HydrophobicContact CD1-CG2 4.05Å
309T57Low85Confident128 Ų12830.2 Ų30.279%0.78516%0.162SC*.SBendtrans-56.4-24.617448.30000113
310S67.2Low85Confident14 Ų1431 Ų3110%0.09816%0.164CC..SBendtrans-118.4123.4162.241.80000110.3L308 V312 N334L308-S310 WeakPolarHBondContact CB-O 3.27Å; L308-S310 CarbonylContact O-C 3.51Å; L308-S310 PolarHBondContact O-N 2.92Å; L308-S310 VanDerWaalsContact O-N 3.08Å; S310-V312 PolarHBondContact O-N 3.12Å; S310-N334 WeakPolarHBondContact CB-ND2 3.43Å; S310-N334 WeakPolarHBondContact OG-CB 3.42Å; S310-N334 PolarHBondContact OG-ND2 3.23Å
311P76.6Confident84.9Confident10 Ų1032 Ų327%0.06517%0.17CC..  trans-69134.2-179.724.9-30.2000111.4I235 I304 D305I235-P311 HydrophobicContact CG2-CB 3.94Å; I235-P311 HydrophobicContact CG2-CG 3.14Å; I304-P311 HydrophobicContact CG2-CB 4.42Å; D305-P311 VanDerWaalsContact O-CA 3.24Å; D305-P311 WeakPolarHBondContact O-CA 3.35Å; D305-P311 WeakPolarHBondContact O-CB 3.33Å
312V84.1Confident84.9Confident6 Ų633.7 Ų33.74%0.03618%0.178CC..EExtended strand (participates in β ladder)trans-99.2131.7169.4177.60000107.8D305 L308 S310 R328 F390D305-V312 PolarHBondContact N-O 3.22Å; D305-V312 PolarHBondContact O-N 3.24Å; L308-V312 HydrophobicContact CD1-CG2 4.05Å; S310-V312 PolarHBondContact O-N 3.12Å; V312-R328 HydrophobicContact CG1-CG 4.13Å; V312-F390 HydrophobicContact CB-CE1 4.35Å; V312-F390 HydrophobicContact CG1-CE1 3.94Å; V312-F390 HydrophobicContact CG1-CZ 4.39Å
313V90.5Very high85Confident1 Ų134.3 Ų34.31%0.00618%0.181CC..EExtended strand (participates in β ladder)trans-118.9128.3179.1177.70000109F233 I235 V302 C303 I304 I315 L329F233-V313 HydrophobicContact CE2-CG1 3.99Å; F233-V313 HydrophobicContact CE2-CG2 4.35Å; F233-V313 HydrophobicContact CZ-CG1 3.96Å; I235-V313 HydrophobicContact CD1-CG2 3.75Å; I235-V313 HydrophobicContact CG1-CG2 4.32Å; V302-V313 HydrophobicContact CG1-CG1 3.44Å; V302-V313 VanDerWaalsContact CG1-CG1 3.44Å; C303-V313 WeakPolarHBondContact O-CA 3.29Å; I304-V313 HydrophobicContact CB-CG2 4.45Å; I304-V313 HydrophobicContact CG1-CG1 4.34Å; I304-V313 HydrophobicContact CG1-CG2 4.07Å; I304-V313 HydrophobicContact CG2-CG2 4.04Å; V313-I315 HydrophobicContact CG1-CG1 4.32Å; V313-L329 HydrophobicContact CB-CB 3.96Å; V313-L329 PolarHBondContact N-O 3.2Å; V313-L329 PolarHBondContact O-N 3.21Å
314L93.5Very high85.4Confident1 Ų133.8 Ų33.81%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-106.9126.1170.6-64171.3000109.3V302 C303 W327 R328 W382 F390 P391V302-L314 WeakPolarHBondContact CA-O 3.37Å; C303-L314 PolarHBondContact N-O 3.5Å; C303-L314 PolarHBondContact O-N 2.72Å; L314-W327 WeakPolarHBondContact CA-O 3.18Å; L314-R328 HydrophobicContact CD2-CB 3.94Å; L314-R328 HydrophobicContact CD2-CG 4.02Å; L314-W382 HydrophobicContact CB-CH2 4.37Å; L314-W382 HydrophobicContact CB-CZ2 3.85Å; L314-W382 HydrophobicContact CD1-CH2 4.31Å; L314-F390 HydrophobicContact CB-CZ 4.39Å; L314-F390 HydrophobicContact CD1-CE1 3.66Å; L314-F390 HydrophobicContact CD1-CE2 4.29Å; L314-F390 HydrophobicContact CD1-CZ 3.51Å; L314-F390 HydrophobicContact CG-CE1 4.01Å; L314-F390 HydrophobicContact CG-CZ 3.68Å; L314-P391 HydrophobicContact CD1-CB 3.72Å; L314-P391 HydrophobicContact CD1-CG 3.89Å
315I95.9Very high85.8Confident1 Ų133.9 Ų33.91%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-106129.8173.5-55.8176.3000107.2V256 I266 I300 V302 V313 T317 L326 W327 L329V256-I315 HydrophobicContact CG1-CD1 4.35Å; V256-I315 HydrophobicContact CG1-CG2 4.21Å; V256-I315 HydrophobicContact CG2-CD1 3.76Å; I266-I315 HydrophobicContact CD1-CD1 3.8Å; I300-I315 HydrophobicContact CG2-CG2 4.09Å; V302-I315 HydrophobicContact CG2-CG1 4.21Å; V302-I315 HydrophobicContact CG2-CG2 4.45Å; V313-I315 HydrophobicContact CG1-CG1 4.32Å; I315-T317 HydrophobicContact CG2-CG2 4.05Å; I315-L326 CarbonylContact O-C 3.55Å; I315-L326 WeakPolarHBondContact O-CA 3.49Å; I315-W327 HydrophobicContact CB-CB 4.28Å; I315-W327 PolarHBondContact N-O 3.24Å; I315-W327 PolarHBondContact O-N 2.69Å; I315-L329 HydrophobicContact CD1-CD1 3.31Å; I315-L329 HydrophobicContact CG1-CD1 3.93Å
316V97.3Very high86.5Confident0 Ų032.8 Ų32.80%017%0.169CC..EExtended strand (participates in β ladder)trans-109.6136.2169.364.60000109.5I300 D301 V324 R325 L326 V380 W382 L394I300-V316 WeakPolarHBondContact CA-O 3.02Å; D301-V316 HydrophobicContact CB-CG1 3.77Å; D301-V316 PolarHBondContact N-O 2.98Å; D301-V316 VanDerWaalsContact N-O 3.1Å; D301-V316 WeakPolarHBondContact O-CG1 3.45Å; D301-V316 PolarHBondContact O-N 2.98Å; V316-V324 HydrophobicContact CG2-CG1 3.38Å; V316-R325 CarbonylContact C-O 3.54Å; V316-R325 WeakPolarHBondContact CA-O 3.5Å; V316-L326 HydrophobicContact CG2-CD1 4.17Å; V316-L326 HydrophobicContact CG2-CG 4.4Å; V316-V380 HydrophobicContact CG1-CB 4Å; V316-V380 HydrophobicContact CG1-CG2 3.84Å; V316-V380 HydrophobicContact CG2-CB 4.26Å; V316-V380 HydrophobicContact CG2-CG1 4.31Å; V316-W382 HydrophobicContact CB-CZ2 3.87Å; V316-W382 HydrophobicContact CG1-CZ2 4.23Å; V316-L394 HydrophobicContact CB-CD1 4.24Å; V316-L394 HydrophobicContact CG1-CD1 3.88Å; V316-L394 HydrophobicContact CG2-CD1 3.99Å; V316-L394 HydrophobicContact CG2-CD2 3.83Å
317T97.6Very high87.7Confident0 Ų028.8 Ų28.80%015%0.15CC..EExtended strand (participates in β ladder)trans-126.9131177.162.60000110T264 H293 C299 I300 I315 V324 R325 W327T264-T317 HydrophobicContact CG2-CG2 4.12Å; H293-T317 PolarHBondContact NE2-O 2.86Å; H293-T317 PolarHBondContact NE2-OG1 3.33Å; C299-T317 WeakPolarHBondContact O-CA 3.4Å; I300-T317 HydrophobicContact CG1-CG2 4.1Å; I315-T317 HydrophobicContact CG2-CG2 4.05Å; T317-V324 CarbonylContact O-C 3.59Å; T317-V324 WeakPolarHBondContact O-CA 3.4Å; T317-R325 PolarHBondContact N-O 2.83Å; T317-R325 PolarHBondContact O-N 3.08Å; T317-W327 PolarHBondContact OG1-NE1 3.35Å; T317-W327 VanDerWaalsContact OG1-NE1 3.08Å
318G97.1Very high89.1Confident0 Ų024.5 Ų24.50%013%0.127CC..EExtended strand (participates in β ladder)trans-110.9134.4173.700000111R298 C299R298-G318 PolarHBondContact N-O 3.49Å; C299-G318 PolarHBondContact N-O 3Å; C299-G318 PolarHBondContact O-N 2.93Å
319G95.4Very high90.6Very high0 Ų020.2 Ų20.20%011%0.105CC..EExtended strand (participates in β ladder)trans-117.8165.2-174.800000114.6H293 W296 D321 N322 I323 V377H293-G319 PolarHBondContact CE1-N 3.4Å; W296-G319 CarbonylContact O-C 3.56Å; W296-G319 VanDerWaalsContact O-CA 3.28Å; W296-G319 WeakPolarHBondContact O-CA 3.15Å; G319-D321 WeakPolarHBondContact CA-OD1 3.48Å; G319-D321 PolarHBondContact O-N 2.95Å; G319-N322 PolarHBondContact O-N 2.6Å; G319-I323 PolarHBondContact N-O 2.86Å; G319-I323 VanDerWaalsContact N-O 3.14Å; G319-V377 PolarHBondContact O-N 3.17Å
320Q96Very high92Very high28 Ų2814.5 Ų14.513%0.1317%0.068CC..THydrogen-bonded Turntrans-70.4-10.2169-165.5174.6-60.300112.4D295 W296 N322 W376D295-Q320 HydrophobicContact CB-CB 3.93Å; D295-Q320 WeakPolarHBondContact OD2-CG 3.49Å; D295-Q320 PolarHBondContact OD2-NE2 3.37Å; W296-Q320 HydrophobicContact CB-CB 4.1Å; W296-Q320 PolarHBondContact O-N 3.26Å; Q320-N322 PolarHBondContact O-N 3.34Å; Q320-N322 PolarHBondContact O-OD1 3.28Å; Q320-W376 HydrophobicContact CB-CG 4.42Å; Q320-W376 HydrophobicContact CG-CB 4.38Å; Q320-W376 HydrophobicContact CG-CD2 3.65Å; Q320-W376 VanDerWaalsContact CG-CE2 3.45Å; Q320-W376 HydrophobicContact CG-CE3 4.49Å; Q320-W376 HydrophobicContact CG-CG 3.57Å; Q320-W376 HydrophobicContact CG-CZ2 4.14Å; Q320-W376 VanDerWaalsContact CG-NE1 3.26Å; Q320-W376 VanDerWaalsContact O-CD1 3.22Å
321D95.9Very high92.8Very high25 Ų2514.4 Ų14.413%0.1347%0.068CC..THydrogen-bonded Turntrans-8012.4171.763.2-12000113.6H293 Q294 D295 G319 I323H293-D321 WeakPolarHBondContact CA-OD2 3.3Å; H293-D321 WeakPolarHBondContact CB-OD2 3.38Å; H293-D321 IonicContact CE1-OD1 3.94Å; H293-D321 IonicContact CG-OD1 2.88Å; H293-D321 IonicContact CG-OD2 3.65Å; H293-D321 IonicContact ND1-OD1 3.8Å; H293-D321 PolarHBondContact ND1-OD1 3.2Å; H293-D321 IonicContact ND1-OD2 2.77Å; H293-D321 PolarHBondContact ND1-OD2 2.89Å; H293-D321 VanDerWaalsContact ND1-OD2 3.12Å; Q294-D321 HydrophobicContact CB-CB 4.23Å; Q294-D321 PolarHBondContact N-OD2 3.2Å; D295-D321 HydrophobicContact CB-CB 4.23Å; G319-D321 WeakPolarHBondContact CA-OD1 3.48Å; G319-D321 PolarHBondContact O-N 2.95Å; D321-I323 WeakPolarHBondContact O-CG1 3.3Å; D321-I323 PolarHBondContact O-N 3.29Å; D321-I323 VanDerWaalsContact O-N 3.15Å; D321-I323 PolarHBondContact OD1-N 2.77Å
322N95.8Very high92.8Very high47 Ų4715.5 Ų15.525%0.2518%0.075SC..SBendtrans65.97.7179.7-47-17000114.6G319 Q320 E374 N375 W376G319-N322 PolarHBondContact O-N 2.6Å; Q320-N322 PolarHBondContact O-N 3.34Å; Q320-N322 PolarHBondContact O-OD1 3.28Å; N322-E374 PolarHBondContact ND2-O 3.27Å; N322-N375 VanDerWaalsContact CG-C 3.42Å; N322-N375 VanDerWaalsContact CG-CA 3.49Å; N322-N375 WeakPolarHBondContact OD1-CA 3.42Å; N322-N375 PolarHBondContact OD1-O 3.16Å; N322-W376 PolarHBondContact OD1-N 3.13Å; N322-W376 VanDerWaalsContact OD1-N 3.11Å
323I97.1Very high92.2Very high39 Ų3920.1 Ų20.120%0.210%0.096CC..EExtended strand (participates in β ladder)trans-105145.3-174-66.3169.2000109.9H293 G319 D321 R325 V369H293-I323 PolarHBondContact CE1-O 3.32Å; H293-I323 VanDerWaalsContact CE1-O 3.29Å; G319-I323 PolarHBondContact N-O 2.86Å; G319-I323 VanDerWaalsContact N-O 3.14Å; D321-I323 WeakPolarHBondContact O-CG1 3.3Å; D321-I323 PolarHBondContact O-N 3.29Å; D321-I323 VanDerWaalsContact O-N 3.15Å; D321-I323 PolarHBondContact OD1-N 2.77Å; I323-R325 HydrophobicContact CG2-CG 3.84Å; I323-V369 HydrophobicContact CG2-CG1 3.44Å; I323-V369 VanDerWaalsContact CG2-CG1 3.44Å
324V97.5Very high90.9Very high1 Ų124.5 Ų24.51%0.00612%0.12CC..EExtended strand (participates in β ladder)trans-109.5131166.9-177.80000108.7V316 T317 L326 L370 V377 V380 L394 T396V316-V324 HydrophobicContact CG2-CG1 3.38Å; T317-V324 CarbonylContact O-C 3.59Å; T317-V324 WeakPolarHBondContact O-CA 3.4Å; V324-L326 HydrophobicContact CG1-CD1 4.2Å; V324-L370 HydrophobicContact CB-CB 4.17Å; V324-L370 HydrophobicContact CG1-CD1 4.35Å; V324-L370 PolarHBondContact N-O 3.4Å; V324-L370 PolarHBondContact O-N 3Å; V324-V377 HydrophobicContact CG2-CB 4.47Å; V324-V377 HydrophobicContact CG2-CG1 3.92Å; V324-V377 HydrophobicContact CG2-CG2 3.86Å; V324-V380 HydrophobicContact CG1-CG1 4.28Å; V324-V380 HydrophobicContact CG2-CG1 4.46Å; V324-L394 HydrophobicContact CG1-CD2 4.17Å; V324-T396 HydrophobicContact CG1-CG2 4.27Å; V324-T396 HydrophobicContact CG2-CG2 4.05Å
325R96.8Very high89.3Confident41 Ų4125.8 Ų25.816%0.15513%0.126CC..EExtended strand (participates in β ladder)trans-121.4138.7-179.2-60.1-178.4180-128.7-0.9110.7G292 V316 T317 I323 W327 V369G292-R325 VanDerWaalsContact CA-CZ 3.46Å; G292-R325 PolarHBondContact O-NH1 3.5Å; G292-R325 PolarHBondContact O-NH2 3.42Å; V316-R325 CarbonylContact C-O 3.54Å; V316-R325 WeakPolarHBondContact CA-O 3.5Å; T317-R325 PolarHBondContact N-O 2.83Å; T317-R325 PolarHBondContact O-N 3.08Å; I323-R325 HydrophobicContact CG2-CG 3.84Å; R325-W327 HydrophobicContact CB-CZ2 4Å; R325-V369 HydrophobicContact CG-CG2 4.5Å
326L95.6Very high87.4Confident1 Ų132 Ų321%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-111.9135.7177.5-74.972.5000109.1I315 V316 V324 E367 S368 L370 W382 L394 W423I315-L326 CarbonylContact O-C 3.55Å; I315-L326 WeakPolarHBondContact O-CA 3.49Å; V316-L326 HydrophobicContact CG2-CD1 4.17Å; V316-L326 HydrophobicContact CG2-CG 4.4Å; V324-L326 HydrophobicContact CG1-CD1 4.2Å; L326-E367 HydrophobicContact CB-CB 4.29Å; L326-E367 WeakPolarHBondContact CB-OE2 3.44Å; L326-E367 WeakPolarHBondContact CD2-OE2 3.18Å; L326-E367 PolarHBondContact O-N 3.19Å; L326-S368 PolarHBondContact N-O 3.45Å; L326-L370 HydrophobicContact CD1-CD1 3.65Å; L326-L370 HydrophobicContact CD1-CG 3.82Å; L326-W382 HydrophobicContact CD2-CH2 3.69Å; L326-W382 HydrophobicContact CD2-CZ2 4.32Å; L326-W382 HydrophobicContact CG-CH2 4.31Å; L326-W382 HydrophobicContact CG-CZ2 4.48Å; L326-L394 HydrophobicContact CD1-CD2 4.21Å; L326-W423 HydrophobicContact CD2-CD2 4.35Å; L326-W423 HydrophobicContact CD2-CH2 3.95Å; L326-W423 HydrophobicContact CD2-CZ2 3.36Å
327W94.3Very high85.4Confident19 Ų1935.3 Ų35.37%0.07218%0.181CC..EExtended strand (participates in β ladder)trans-127.8136.3-179.2-45.790.2000108.9I290 L314 I315 T317 R325 V364 A365 P366I290-W327 HydrophobicContact CG2-CD2 3.54Å; I290-W327 HydrophobicContact CG2-CE3 3.32Å; I290-W327 HydrophobicContact CG2-CG 4.47Å; I290-W327 HydrophobicContact CG2-CH2 3.21Å; I290-W327 HydrophobicContact CG2-CZ2 3.42Å; I290-W327 VanDerWaalsContact CG2-CZ2 3.42Å; I290-W327 HydrophobicContact CG2-CZ3 3.15Å; L314-W327 WeakPolarHBondContact CA-O 3.18Å; I315-W327 HydrophobicContact CB-CB 4.28Å; I315-W327 PolarHBondContact N-O 3.24Å; I315-W327 PolarHBondContact O-N 2.69Å; T317-W327 PolarHBondContact OG1-NE1 3.35Å; T317-W327 VanDerWaalsContact OG1-NE1 3.08Å; R325-W327 HydrophobicContact CB-CZ2 4Å; W327-V364 HydrophobicContact CB-CG2 4.12Å; W327-A365 CarbonylContact C-O 3.53Å; W327-A365 WeakPolarHBondContact CA-O 3.26Å; W327-P366 HydrophobicContact CE3-CB 3.96Å; W327-P366 HydrophobicContact CZ3-CB 3.82Å
328R91.7Very high83.2Confident61 Ų6136.8 Ų36.823%0.2319%0.191CC..EExtended strand (participates in β ladder)trans-107.2121.2178.8-173.3-176.8-176.6106.2-4.3109.7V312 L314 Y330 D335 V364 A365 E367V312-R328 HydrophobicContact CG1-CG 4.13Å; L314-R328 HydrophobicContact CD2-CB 3.94Å; L314-R328 HydrophobicContact CD2-CG 4.02Å; R328-Y330 HydrophobicContact CG-CD1 4.2Å; R328-D335 IonicContact CZ-OD2 2.77Å; R328-D335 IonicContact NE-OD2 3.49Å; R328-D335 PolarHBondContact NE-OD2 2.73Å; R328-D335 IonicContact NH2-OD2 3.43Å; R328-D335 PolarHBondContact NH2-OD2 2.97Å; R328-V364 CarbonylContact O-C 3.5Å; R328-V364 WeakPolarHBondContact O-CA 3.15Å; R328-A365 PolarHBondContact N-O 2.84Å; R328-A365 PolarHBondContact O-N 3.11Å; R328-E367 HydrophobicContact CB-CB 4.27Å
329L90.6Very high80.8Confident2 Ų240.7 Ų40.71%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-97.7129165.6-85.777.1000108.9I254 I266 V313 I315 L349 V362 C363 V364I254-L329 HydrophobicContact CD1-CD2 4.43Å; I266-L329 HydrophobicContact CD1-CD1 3.87Å; I266-L329 HydrophobicContact CD1-CD2 4.09Å; I266-L329 HydrophobicContact CD1-CG 4.41Å; V313-L329 HydrophobicContact CB-CB 3.96Å; V313-L329 PolarHBondContact N-O 3.2Å; V313-L329 PolarHBondContact O-N 3.21Å; I315-L329 HydrophobicContact CD1-CD1 3.31Å; I315-L329 HydrophobicContact CG1-CD1 3.93Å; L329-L349 HydrophobicContact CD2-CD2 4.1Å; L329-V362 HydrophobicContact CD2-CG1 4.35Å; L329-C363 VanDerWaalsContact CA-O 3.27Å; L329-C363 WeakPolarHBondContact CA-O 3.16Å; L329-V364 HydrophobicContact CD1-CB 3.99Å; L329-V364 HydrophobicContact CD1-CG2 3.58Å; L329-V364 HydrophobicContact CG-CB 4.11Å; L329-V364 HydrophobicContact CG-CG2 4.25Å
330Y86.6Confident78.4Confident7 Ų743.3 Ų43.33%0.02723%0.233CC..EExtended strand (participates in β ladder)trans-151.7162.8-176.766.1-78.8000110.7R328 P332 D335 V338 V362 C363 A365R328-Y330 HydrophobicContact CG-CD1 4.2Å; Y330-P332 HydrophobicContact CE2-CB 4.3Å; Y330-D335 HydrophobicContact CD2-CB 4.01Å; Y330-V338 HydrophobicContact CE1-CB 4.33Å; Y330-V338 HydrophobicContact CE1-CG1 4.12Å; Y330-V338 HydrophobicContact CE1-CG2 4.32Å; Y330-V338 HydrophobicContact CE2-CB 4.17Å; Y330-V338 HydrophobicContact CE2-CG2 4.43Å; Y330-V338 WeakPolarHBondContact OH-CG1 3.36Å; Y330-V362 WeakPolarHBondContact O-CA 3.34Å; Y330-C363 HydrophobicContact CE1-CB 4.02Å; Y330-C363 HydrophobicContact CE2-CB 4.42Å; Y330-C363 PolarHBondContact N-O 2.88Å; Y330-C363 PolarHBondContact O-N 3.21Å; Y330-A365 HydrophobicContact CE1-CB 3.98Å
331S83Confident75.6Confident13 Ų1348.8 Ų48.89%0.09127%0.271CS..  trans-94.2124168.6-167.10000109.8E333 N334 D335 R361S331-E333 PolarHBondContact O-N 2.83Å; S331-N334 PolarHBondContact O-N 3.28Å; S331-D335 PolarHBondContact O-N 2.89Å; S331-R361 WeakPolarHBondContact CA-O 3.42Å; S331-R361 WeakPolarHBondContact CB-O 2.99Å; S331-R361 PolarHBondContact OG-O 3.02Å
332P77.5Confident73.2Confident32 Ų3251.4 Ų51.421%0.20830%0.304CS..THydrogen-bonded Turntrans-67.2-18.2-173.626.4-33.9000113.8Y330 N334 R361Y330-P332 HydrophobicContact CE2-CB 4.3Å; P332-N334 VanDerWaalsContact C-N 3.28Å; P332-N334 PolarHBondContact O-N 3.26Å; P332-R361 WeakPolarHBondContact CD-O 3.48Å; P332-R361 HydrophobicContact CG-CB 4.06Å
333E70.7Confident71Confident103 Ų10355.5 Ų55.548%0.48132%0.321SS..THydrogen-bonded Turntrans-75.2-21.4-178.4-59.5-172.9173.400112.5S331 R361S331-E333 PolarHBondContact O-N 2.83Å; E333-R361 IonicContact OE1-CZ 3.24Å; E333-R361 IonicContact OE1-NE 3.17Å; E333-R361 PolarHBondContact OE1-NE 3.06Å; E333-R361 IonicContact OE1-NH2 3.53Å; E333-R361 PolarHBondContact OE1-NH2 2.79Å
334N63.7Low69Low93 Ų9356.4 Ų56.450%0.49733%0.334SS..THydrogen-bonded Turntrans-114.2-12.6-175.1-70.5-2.1000113.8S310 S331 P332S310-N334 WeakPolarHBondContact CB-ND2 3.43Å; S310-N334 WeakPolarHBondContact OG-CB 3.42Å; S310-N334 PolarHBondContact OG-ND2 3.23Å; S331-N334 PolarHBondContact O-N 3.28Å; P332-N334 VanDerWaalsContact C-N 3.28Å; P332-N334 PolarHBondContact O-N 3.26Å
335D60.3Low67.4Low28 Ų2866.2 Ų66.215%0.1538%0.377CS..  trans-128.187.2-175.9-152.6-9.7000110.9R328 Y330 S331 S337R328-D335 IonicContact CZ-OD2 2.77Å; R328-D335 IonicContact NE-OD2 3.49Å; R328-D335 PolarHBondContact NE-OD2 2.73Å; R328-D335 IonicContact NH2-OD2 3.43Å; R328-D335 PolarHBondContact NH2-OD2 2.97Å; Y330-D335 HydrophobicContact CD2-CB 4.01Å; S331-D335 PolarHBondContact O-N 2.89Å; D335-S337 PolarHBondContact O-N 3.28Å; D335-S337 PolarHBondContact OD1-OG 2.89Å
336I54.3Low66.3Low132 Ų13266.5 Ų66.568%0.67739%0.388SS*.G310 helixtrans-72.5-19.6-176.6-56.7165.6000111V338 T339I336-V338 PolarHBondContact O-N 2.95Å; I336-V338 VanDerWaalsContact O-N 3.14Å; I336-T339 PolarHBondContact O-N 3.04Å; I336-T339 PolarHBondContact O-OG1 2.89Å
337S55.5Low65.7Low69 Ų6969 Ų6948%0.48341%0.405SS..G310 helixtrans-54.6-36.4-17363.30000113.5D335 S340D335-S337 PolarHBondContact O-N 3.28Å; D335-S337 PolarHBondContact OD1-OG 2.89Å; S337-S340 PolarHBondContact O-OG 2.93Å
338V52.1Low65.3Low32 Ų3271.7 Ų71.719%0.19443%0.428CS..G310 helixtrans-88.1-12.2-177.2-168.80000113.2Y330 I336 S340 A365Y330-V338 HydrophobicContact CE1-CB 4.33Å; Y330-V338 HydrophobicContact CE1-CG1 4.12Å; Y330-V338 HydrophobicContact CE1-CG2 4.32Å; Y330-V338 HydrophobicContact CE2-CB 4.17Å; Y330-V338 HydrophobicContact CE2-CG2 4.43Å; Y330-V338 WeakPolarHBondContact OH-CG1 3.36Å; I336-V338 PolarHBondContact O-N 2.95Å; I336-V338 VanDerWaalsContact O-N 3.14Å; V338-S340 PolarHBondContact O-N 2.85Å; V338-A365 HydrophobicContact CG1-CB 4.14Å
339T45.5Very low65.1Low81 Ų8169.2 Ų69.250%0.49742%0.419SS..G310 helixtrans-88.51.7-173.262.10000114.9I336I336-T339 PolarHBondContact O-N 3.04Å; I336-T339 PolarHBondContact O-OG1 2.89Å
340S45.3Very low65.1Low55 Ų5576.1 Ų76.139%0.38545%0.451SS..SBendtrans-71.5141178.744.30000111.7S337 V338 G342 H343S337-S340 PolarHBondContact O-OG 2.93Å; V338-S340 PolarHBondContact O-N 2.85Å; S340-G342 PolarHBondContact O-N 3.49Å; S340-H343 PolarHBondContact O-N 3.47Å; S340-H343 PolarHBondContact OG-CD2 2.86Å
341P37.1Very low65.1Low143 Ų14377 Ų7793%0.92946%0.456SS*.THydrogen-bonded Turntrans-68.2104.4-173.926.2-31.3000110.1
342G47.2Very low65.1Low81 Ų8177.3 Ų77.384%0.83546%0.458SS*.THydrogen-bonded Turntrans147.9-21.6-177.800000114.1S340S340-G342 PolarHBondContact O-N 3.49Å
343H49.3Very low65.4Low132 Ų13283.2 Ų83.261%0.61148%0.482SS*.SBendtrans-82.9148.5177.2-75.5-72.7000112.9S340S340-H343 PolarHBondContact O-N 3.47Å; S340-H343 PolarHBondContact OG-CD2 2.86Å
344A54.8Low65.9Low58 Ų5881.8 Ų81.848%0.47947%0.473SS..  trans-52.4152.2-171.200000113.7A346 P366A344-A346 PolarHBondContact O-N 3.43Å; A344-P366 HydrophobicContact CB-CG 3.54Å
345K63.8Low66.8Low208 Ų20877.3 Ų77.390%0.90445%0.449SS*.  trans-49.993.8-179.3-76.8179.3176.4176.50111.9
346A74.3Confident67.6Low47 Ų4778.7 Ų78.739%0.38846%0.464SS..  trans-66.5135.7167.100000109.1A344 V364 A365A344-A346 PolarHBondContact O-N 3.43Å; A346-V364 WeakPolarHBondContact CA-O 3.06Å; A346-A365 HydrophobicContact CB-CB 4.08Å
347S82.1Confident68.9Low52 Ų5277.8 Ų77.836%0.36446%0.46SS..EExtended strand (participates in β ladder)trans-107.7130.6175.258.90000110.2C363 V364S347-C363 CarbonylContact O-C 3.48Å; S347-C363 VanDerWaalsContact O-CA 3.31Å; S347-C363 WeakPolarHBondContact O-CA 3.18Å; S347-V364 PolarHBondContact N-O 2.98Å; S347-V364 PolarHBondContact O-N 2.58Å; S347-V364 WeakPolarHBondContact OG-CG1 3.17Å
348S85.3Confident69.9Low77 Ų7777 Ų7754%0.53845%0.45SS..EExtended strand (participates in β ladder)trans-73.9133.3172.8-170.90000109.6
349L88.3Confident71.3Confident8 Ų881.2 Ų81.24%0.04247%0.471CS..  trans-73.9140.3174.1-83.468.7000110.1I266 A288 L329 L351 V362 V364I266-L349 HydrophobicContact CG2-CD2 4.06Å; A288-L349 HydrophobicContact CB-CD1 4.41Å; A288-L349 HydrophobicContact CB-CG 4.14Å; L329-L349 HydrophobicContact CD2-CD2 4.1Å; L349-L351 HydrophobicContact CB-CD2 4.05Å; L349-L351 HydrophobicContact CB-CG 4.33Å; L349-L351 HydrophobicContact CD2-CD2 4.45Å; L349-L351 PolarHBondContact O-N 2.9Å; L349-V362 WeakPolarHBondContact CB-O 3.06Å; L349-V362 HydrophobicContact CD1-CG1 4.33Å; L349-V362 HydrophobicContact CD2-CB 4.43Å; L349-V362 HydrophobicContact CD2-CG1 4Å; L349-V362 PolarHBondContact N-O 3.44Å; L349-V364 HydrophobicContact CD1-CB 3.87Å; L349-V364 HydrophobicContact CD1-CG1 3.75Å
350Q89.8Confident73Confident148 Ų14878.4 Ų78.469%0.69245%0.453SS*.  trans-8196.6166.4-66.1-176.4-5.200109.2S287S287-Q350 WeakPolarHBondContact CA-O 3.3Å; S287-Q350 VanDerWaalsContact CB-O 3.26Å; S287-Q350 WeakPolarHBondContact CB-O 3.24Å; S287-Q350 PolarHBondContact O-N 3.16Å; S287-Q350 PolarHBondContact OG-O 3.16Å
351L86.8Confident74.9Confident26 Ų2682.1 Ų82.114%0.13646%0.458CS..  trans-85.3161.3-176.8-63.5176.2000112.4L252 L349 F355 I360 V362L252-L351 HydrophobicContact CD1-CD2 4.31Å; L252-L351 HydrophobicContact CD2-CD2 3.96Å; L349-L351 HydrophobicContact CB-CD2 4.05Å; L349-L351 HydrophobicContact CB-CG 4.33Å; L349-L351 HydrophobicContact CD2-CD2 4.45Å; L349-L351 PolarHBondContact O-N 2.9Å; L351-F355 HydrophobicContact CB-CB 4.09Å; L351-F355 HydrophobicContact CD1-CB 4.19Å; L351-I360 WeakPolarHBondContact CD1-O 3.08Å; L351-V362 HydrophobicContact CD1-CB 4.12Å; L351-V362 HydrophobicContact CD1-CG2 3.85Å; L351-V362 HydrophobicContact CD2-CB 4.4Å; L351-V362 HydrophobicContact CD2-CG2 4.45Å
352P83.6Confident77.3Confident19 Ų1975.4 Ų75.412%0.12342%0.415CS..  trans-59.6149.8172.9-2134.3000111.1L252 S268 H270 W354 F355 A356L252-P352 HydrophobicContact CD1-CG 4.4Å; S268-P352 WeakPolarHBondContact OG-CD 3.49Å; H270-P352 HydrophobicContact CB-CB 4Å; H270-P352 HydrophobicContact CB-CG 4.24Å; P352-W354 PolarHBondContact O-N 2.7Å; P352-F355 HydrophobicContact CB-CD2 4.31Å; P352-F355 HydrophobicContact CG-CD2 4.29Å; P352-F355 PolarHBondContact O-N 2.89Å; P352-A356 PolarHBondContact O-N 3.32Å
353E82.9Confident79.3Confident155 Ų15572.2 Ų72.272%0.72438%0.38SS*.Hα-helixtrans-50.2-41.2-169.9-170.8178.7-178.100113.7F355 A356 I357E353-F355 VanDerWaalsContact C-N 3.34Å; E353-F355 PolarHBondContact O-N 2.79Å; E353-A356 WeakPolarHBondContact O-CB 3.31Å; E353-A356 PolarHBondContact O-N 3.35Å; E353-I357 HydrophobicContact CG-CD1 3.81Å; E353-I357 HydrophobicContact CG-CG1 4.34Å; E353-I357 VanDerWaalsContact O-CG1 3.31Å; E353-I357 WeakPolarHBondContact O-CG1 3.38Å; E353-I357 PolarHBondContact O-N 2.86Å
354W81.9Confident81.3Confident73 Ų7366.1 Ų66.128%0.27735%0.352SS..Hα-helixtrans-57.8-42.6179.4-173.199.7000113F239 S250 H270 P352 I357 N358 I360F239-W354 AromaticContact CD1-CH2 3.86Å; F239-W354 HydrophobicContact CD1-CH2 3.86Å; F239-W354 AromaticContact CE1-CH2 3.24Å; F239-W354 HydrophobicContact CE1-CH2 3.24Å; F239-W354 AromaticContact CE1-CZ2 3.66Å; F239-W354 HydrophobicContact CE1-CZ2 3.66Å; F239-W354 HydrophobicContact CE1-CZ3 4.42Å; F239-W354 HydrophobicContact CE2-CH2 4.21Å; F239-W354 HydrophobicContact CE2-CZ2 4.23Å; F239-W354 AromaticContact CZ-CH2 3.43Å; F239-W354 HydrophobicContact CZ-CH2 3.43Å; F239-W354 VanDerWaalsContact CZ-CH2 3.43Å; F239-W354 AromaticContact CZ-CZ2 3.39Å; F239-W354 HydrophobicContact CZ-CZ2 3.39Å; S250-W354 WeakPolarHBondContact OG-CH2 3.21Å; S250-W354 WeakPolarHBondContact OG-CZ2 3.48Å; H270-W354 AromaticContact CE1-CD1 3.85Å; H270-W354 AromaticContact CE1-CD2 3.92Å; H270-W354 AromaticContact CE1-CG 3.65Å; H270-W354 AromaticContact NE2-CD2 3.79Å; H270-W354 AromaticContact NE2-CE3 4Å; H270-W354 AromaticContact NE2-CG 4Å; P352-W354 PolarHBondContact O-N 2.7Å; W354-I357 PolarHBondContact O-N 3.41Å; W354-N358 WeakPolarHBondContact CH2-ND2 3.11Å; W354-N358 WeakPolarHBondContact CZ2-ND2 3.29Å; W354-N358 VanDerWaalsContact CZ3-ND2 3.3Å; W354-N358 WeakPolarHBondContact CZ3-ND2 3.46Å; W354-N358 PolarHBondContact O-N 3.37Å; W354-N358 PolarHBondContact O-ND2 2.85Å; W354-I360 HydrophobicContact CZ3-CD1 4.32Å
355F81.9Confident82.9Confident0 Ų063.6 Ų63.60%033%0.331CS..Hα-helixtrans-71.5-37.3179-70.8-82.6000111.5Y237 L252 H270 L351 P352 E353 N358 N359 I360Y237-F355 HydrophobicContact CD2-CE1 4.05Å; L252-F355 HydrophobicContact CB-CE1 4.02Å; L252-F355 HydrophobicContact CB-CE2 4.12Å; L252-F355 HydrophobicContact CB-CZ 3.62Å; L252-F355 HydrophobicContact CD1-CD2 3.77Å; L252-F355 HydrophobicContact CD1-CE1 4.48Å; L252-F355 HydrophobicContact CD1-CE2 3.44Å; L252-F355 VanDerWaalsContact CD1-CE2 3.44Å; L252-F355 HydrophobicContact CD1-CG 4.4Å; L252-F355 HydrophobicContact CD1-CZ 3.87Å; L252-F355 HydrophobicContact CG-CE2 4.38Å; L252-F355 HydrophobicContact CG-CZ 4.34Å; H270-F355 HydrophobicContact CB-CD2 4.44Å; H270-F355 HydrophobicContact CB-CE2 3.87Å; H270-F355 AromaticContact CD2-CE2 3.34Å; H270-F355 WeakPolarHBondContact CD2-CE2 3.49Å; H270-F355 AromaticContact CD2-CZ 3.69Å; H270-F355 AromaticContact CG-CE2 3.84Å; L351-F355 HydrophobicContact CB-CB 4.09Å; L351-F355 HydrophobicContact CD1-CB 4.19Å; P352-F355 HydrophobicContact CB-CD2 4.31Å; P352-F355 HydrophobicContact CG-CD2 4.29Å; P352-F355 PolarHBondContact O-N 2.89Å; E353-F355 VanDerWaalsContact C-N 3.34Å; E353-F355 PolarHBondContact O-N 2.79Å; F355-N358 CarbonylContact O-C 3.59Å; F355-N358 PolarHBondContact O-N 3.37Å; F355-N359 PolarHBondContact O-N 2.88Å; F355-I360 HydrophobicContact CB-CB 4.38Å; F355-I360 HydrophobicContact CD1-CB 4.3Å; F355-I360 HydrophobicContact CD1-CD1 3.84Å; F355-I360 HydrophobicContact CD1-CG2 4.26Å; F355-I360 HydrophobicContact CE1-CD1 4.4Å; F355-I360 PolarHBondContact O-N 2.93Å
356A77.9Confident84.2Confident57 Ų5756.5 Ų56.547%0.47131%0.306SS..Hα-helixtrans-63.6-41.6175.900000111.8P352 E353 N358 N359P352-A356 PolarHBondContact O-N 3.32Å; E353-A356 WeakPolarHBondContact O-CB 3.31Å; E353-A356 PolarHBondContact O-N 3.35Å; A356-N358 VanDerWaalsContact C-N 3.29Å; A356-N358 PolarHBondContact O-N 2.96Å; A356-N359 PolarHBondContact O-N 3.09Å
357I80.8Confident84.9Confident113 Ų11357.4 Ų57.458%0.57930%0.302SS*.Hα-helixtrans-62.6-37.6176.4-70166.6000111.3E353 W354 N359E353-I357 HydrophobicContact CG-CD1 3.81Å; E353-I357 HydrophobicContact CG-CG1 4.34Å; E353-I357 VanDerWaalsContact O-CG1 3.31Å; E353-I357 WeakPolarHBondContact O-CG1 3.38Å; E353-I357 PolarHBondContact O-N 2.86Å; W354-I357 PolarHBondContact O-N 3.41Å; I357-N359 PolarHBondContact O-N 3.43Å
358N78.1Confident85.4Confident53 Ų5356.1 Ų56.128%0.28329%0.294SS..THydrogen-bonded Turntrans-84.615.6179-67.8-32.7000113.5W354 F355 A356 I360W354-N358 WeakPolarHBondContact CH2-ND2 3.11Å; W354-N358 WeakPolarHBondContact CZ2-ND2 3.29Å; W354-N358 VanDerWaalsContact CZ3-ND2 3.3Å; W354-N358 WeakPolarHBondContact CZ3-ND2 3.46Å; W354-N358 PolarHBondContact O-N 3.37Å; W354-N358 PolarHBondContact O-ND2 2.85Å; F355-N358 CarbonylContact O-C 3.59Å; F355-N358 PolarHBondContact O-N 3.37Å; A356-N358 VanDerWaalsContact C-N 3.29Å; A356-N358 PolarHBondContact O-N 2.96Å; N358-I360 HydrophobicContact CB-CD1 4.39Å; N358-I360 HydrophobicContact CB-CG1 4.46Å; N358-I360 PolarHBondContact O-N 3.24Å; N358-I360 VanDerWaalsContact O-N 3.07Å
359N79.8Confident85.8Confident119 Ų11956.8 Ų56.864%0.63629%0.294SS*.THydrogen-bonded Turntrans56.518.5-179.8-66.8-31.8000115.1F355 A356 I357 R361F355-N359 PolarHBondContact O-N 2.88Å; A356-N359 PolarHBondContact O-N 3.09Å; I357-N359 PolarHBondContact O-N 3.43Å; N359-R361 PolarHBondContact O-N 3.17Å
360I81Confident86.2Confident22 Ų2256.9 Ų56.911%0.11330%0.295CS..  trans-77117.9176.4-63.4170.1000107.7Y237 L351 W354 F355 N358Y237-I360 HydrophobicContact CD1-CD1 4.37Å; Y237-I360 HydrophobicContact CD1-CG2 3.91Å; Y237-I360 HydrophobicContact CE1-CG2 3.81Å; Y237-I360 HydrophobicContact CG-CD1 4.29Å; Y237-I360 HydrophobicContact CG-CG2 4.4Å; L351-I360 WeakPolarHBondContact CD1-O 3.08Å; W354-I360 HydrophobicContact CZ3-CD1 4.32Å; F355-I360 HydrophobicContact CB-CB 4.38Å; F355-I360 HydrophobicContact CD1-CB 4.3Å; F355-I360 HydrophobicContact CD1-CD1 3.84Å; F355-I360 HydrophobicContact CD1-CG2 4.26Å; F355-I360 HydrophobicContact CE1-CD1 4.4Å; F355-I360 PolarHBondContact O-N 2.93Å; N358-I360 HydrophobicContact CB-CD1 4.39Å; N358-I360 HydrophobicContact CB-CG1 4.46Å; N358-I360 PolarHBondContact O-N 3.24Å; N358-I360 VanDerWaalsContact O-N 3.07Å
361R85.1Confident86.3Confident133 Ų13353.8 Ų53.850%0.50229%0.294SS..  trans-111.7138.3175-72-179.2-77.7179.8-3.6110.4S331 P332 E333 N359S331-R361 WeakPolarHBondContact CA-O 3.42Å; S331-R361 WeakPolarHBondContact CB-O 2.99Å; S331-R361 PolarHBondContact OG-O 3.02Å; P332-R361 WeakPolarHBondContact CD-O 3.48Å; P332-R361 HydrophobicContact CG-CB 4.06Å; E333-R361 IonicContact OE1-CZ 3.24Å; E333-R361 IonicContact OE1-NE 3.17Å; E333-R361 PolarHBondContact OE1-NE 3.06Å; E333-R361 IonicContact OE1-NH2 3.53Å; E333-R361 PolarHBondContact OE1-NH2 2.79Å; N359-R361 PolarHBondContact O-N 3.17Å
362V87.5Confident86.5Confident2 Ų253.5 Ų53.51%0.01230%0.297CS..  trans-126.8132.9173.9-1780000107.7Y237 L329 Y330 L349 L351Y237-V362 WeakPolarHBondContact OH-CG2 3.35Å; L329-V362 HydrophobicContact CD2-CG1 4.35Å; Y330-V362 WeakPolarHBondContact O-CA 3.34Å; L349-V362 WeakPolarHBondContact CB-O 3.06Å; L349-V362 HydrophobicContact CD1-CG1 4.33Å; L349-V362 HydrophobicContact CD2-CB 4.43Å; L349-V362 HydrophobicContact CD2-CG1 4Å; L349-V362 PolarHBondContact N-O 3.44Å; L351-V362 HydrophobicContact CD1-CB 4.12Å; L351-V362 HydrophobicContact CD1-CG2 3.85Å; L351-V362 HydrophobicContact CD2-CB 4.4Å; L351-V362 HydrophobicContact CD2-CG2 4.45Å
363C89.4Confident87Confident15 Ų1553.3 Ų53.310%0.10130%0.295CS..EExtended strand (participates in β ladder)trans-118.5151.7176.5-63.90000109.7L329 Y330 S347L329-C363 VanDerWaalsContact CA-O 3.27Å; L329-C363 WeakPolarHBondContact CA-O 3.16Å; Y330-C363 HydrophobicContact CE1-CB 4.02Å; Y330-C363 HydrophobicContact CE2-CB 4.42Å; Y330-C363 PolarHBondContact N-O 2.88Å; Y330-C363 PolarHBondContact O-N 3.21Å; S347-C363 CarbonylContact O-C 3.48Å; S347-C363 VanDerWaalsContact O-CA 3.31Å; S347-C363 WeakPolarHBondContact O-CA 3.18Å
364V91Very high87.6Confident3 Ų353.7 Ų53.72%0.01830%0.297CS..EExtended strand (participates in β ladder)trans-116.8134.4166.762.60000110.1A288 I290 W327 R328 L329 A346 S347 L349A288-V364 HydrophobicContact CB-CG1 4.41Å; I290-V364 HydrophobicContact CD1-CB 4.41Å; I290-V364 HydrophobicContact CD1-CG1 4.11Å; I290-V364 HydrophobicContact CD1-CG2 3.61Å; I290-V364 HydrophobicContact CG1-CG1 4.18Å; I290-V364 HydrophobicContact CG1-CG2 4.45Å; W327-V364 HydrophobicContact CB-CG2 4.12Å; R328-V364 CarbonylContact O-C 3.5Å; R328-V364 WeakPolarHBondContact O-CA 3.15Å; L329-V364 HydrophobicContact CD1-CB 3.99Å; L329-V364 HydrophobicContact CD1-CG2 3.58Å; L329-V364 HydrophobicContact CG-CB 4.11Å; L329-V364 HydrophobicContact CG-CG2 4.25Å; A346-V364 WeakPolarHBondContact CA-O 3.06Å; S347-V364 PolarHBondContact N-O 2.98Å; S347-V364 PolarHBondContact O-N 2.58Å; S347-V364 WeakPolarHBondContact OG-CG1 3.17Å; L349-V364 HydrophobicContact CD1-CB 3.87Å; L349-V364 HydrophobicContact CD1-CG1 3.75Å
365A90.2Very high88.1Confident5 Ų553.3 Ų53.34%0.04130%0.3CS..EExtended strand (participates in β ladder)trans-131.2147.7175.200000110.3W327 R328 Y330 V338 A346W327-A365 CarbonylContact C-O 3.53Å; W327-A365 WeakPolarHBondContact CA-O 3.26Å; R328-A365 PolarHBondContact N-O 2.84Å; R328-A365 PolarHBondContact O-N 3.11Å; Y330-A365 HydrophobicContact CE1-CB 3.98Å; V338-A365 HydrophobicContact CG1-CB 4.14Å; A346-A365 HydrophobicContact CB-CB 4.08Å
366P90.6Very high88.7Confident60 Ų6057.5 Ų57.539%0.3932%0.316SS..EExtended strand (participates in β ladder)trans-65.1136166.829.3-32.9000109.5W327 A344W327-P366 HydrophobicContact CE3-CB 3.96Å; W327-P366 HydrophobicContact CZ3-CB 3.82Å; A344-P366 HydrophobicContact CB-CG 3.54Å
367E88.4Confident89.6Confident65 Ų6554.8 Ų54.830%0.30429%0.294SS..EExtended strand (participates in β ladder)trans-104.1-63.8179.2-179-83.6147.200110.4L326 R328 W423L326-E367 HydrophobicContact CB-CB 4.29Å; L326-E367 WeakPolarHBondContact CB-OE2 3.44Å; L326-E367 WeakPolarHBondContact CD2-OE2 3.18Å; L326-E367 PolarHBondContact O-N 3.19Å; R328-E367 HydrophobicContact CB-CB 4.27Å; E367-W423 PolarHBondContact OE1-NE1 2.82Å; E367-W423 PolarHBondContact OE2-NE1 3.16Å
368S92.3Very high90.3Very high26 Ų2649.8 Ų49.818%0.18227%0.268CS..EExtended strand (participates in β ladder)trans-142.5159.9-179.7-71.50000112.5L326 W423L326-S368 PolarHBondContact N-O 3.45Å; S368-W423 PolarHBondContact OG-NE1 2.93Å
369V94.4Very high91.1Very high91 Ų9147.2 Ų47.255%0.55226%0.255SS*.EExtended strand (participates in β ladder)trans-124.2122.9170.9-178.80000107.7I323 R325I323-V369 HydrophobicContact CG2-CG1 3.44Å; I323-V369 VanDerWaalsContact CG2-CG1 3.44Å; R325-V369 HydrophobicContact CG-CG2 4.5Å
370L95.8Very high91.9Very high10 Ų1041.6 Ų41.65%0.05223%0.225CC..EExtended strand (participates in β ladder)trans-106.7122.4179.9-44.5174.8000108.8V324 L326 L394 W406 W423V324-L370 HydrophobicContact CB-CB 4.17Å; V324-L370 HydrophobicContact CG1-CD1 4.35Å; V324-L370 PolarHBondContact N-O 3.4Å; V324-L370 PolarHBondContact O-N 3Å; L326-L370 HydrophobicContact CD1-CD1 3.65Å; L326-L370 HydrophobicContact CD1-CG 3.82Å; L370-L394 HydrophobicContact CD1-CD2 3.66Å; L370-W406 HydrophobicContact CB-CD2 4.36Å; L370-W406 HydrophobicContact CB-CE3 4.37Å; L370-W406 HydrophobicContact CB-CH2 4.1Å; L370-W406 HydrophobicContact CB-CZ2 4.06Å; L370-W406 HydrophobicContact CB-CZ3 4.25Å; L370-W406 HydrophobicContact CD1-CB 4.24Å; L370-W406 HydrophobicContact CD1-CD2 3.77Å; L370-W406 HydrophobicContact CD1-CE3 4.18Å; L370-W406 HydrophobicContact CD1-CG 3.79Å; L370-W406 HydrophobicContact CD2-CE3 4.22Å; L370-W406 HydrophobicContact CD2-CZ3 4.48Å; L370-W406 HydrophobicContact CG-CD2 4.48Å; L370-W406 HydrophobicContact CG-CE3 4.5Å; L370-W423 HydrophobicContact CD2-CB 3.45Å; L370-W423 VanDerWaalsContact CD2-CB 3.45Å; L370-W423 HydrophobicContact CD2-CD2 4.38Å; L370-W423 HydrophobicContact CD2-CG 3.72Å
371A92.4Very high92.6Very high82 Ų8241.7 Ų41.768%0.67822%0.224SC*.EExtended strand (participates in β ladder)trans-120.1109.717600000108.1
372G91.7Very high93.1Very high20 Ų2036.1 Ų36.121%0.20620%0.202CC..  trans-153.4-21.9-179.700000113.7R428G372-R428 PolarHBondContact O-NH2 3.17Å
373H94.8Very high93.3Very high15 Ų1536.1 Ų36.17%0.06920%0.203CC..  trans-85.9148.8173.2-66.2-60.2000111.6V377 T396 S398 D400 S402H373-V377 HydrophobicContact CB-CG2 4.47Å; H373-T396 WeakPolarHBondContact NE2-CB 3.21Å; H373-T396 PolarHBondContact NE2-OG1 2.92Å; H373-S398 VanDerWaalsContact CG-CB 3.49Å; H373-S398 VanDerWaalsContact ND1-CB 3.28Å; H373-S398 WeakPolarHBondContact ND1-CB 3.14Å; H373-D400 WeakPolarHBondContact CA-OD2 3.46Å; H373-D400 IonicContact ND1-OD1 2.88Å; H373-D400 IonicContact ND1-OD2 3.6Å; H373-S402 PolarHBondContact CE1-O 2.84Å; H373-S402 PolarHBondContact CE1-OG 3.13Å; H373-S402 PolarHBondContact ND1-OG 3.31Å
374E93.7Very high93.2Very high164 Ų16436 Ų3677%0.76620%0.202SC*.SBendtrans-102.5-6.3179.7-61.2-172.5169.400112.6N322 D400N322-E374 PolarHBondContact ND2-O 3.27Å; E374-D400 HydrophobicContact CB-CB 4.39Å; E374-D400 PolarHBondContact N-OD2 2.79Å
375N93.6Very high92.8Very high65 Ų6538.1 Ų38.135%0.34821%0.213SC..SBendtrans-144.8-178.8178.9-150.4-28.3000110.5N322 V377 S398 M399 D400N322-N375 VanDerWaalsContact CG-C 3.42Å; N322-N375 VanDerWaalsContact CG-CA 3.49Å; N322-N375 WeakPolarHBondContact OD1-CA 3.42Å; N322-N375 PolarHBondContact OD1-O 3.16Å; N375-V377 PolarHBondContact O-N 3.21Å; N375-S398 PolarHBondContact O-OG 3.08Å; N375-M399 HydrophobicContact CB-CB 4.12Å; N375-D400 HydrophobicContact CB-CB 3.76Å
376W94.8Very high92.2Very high88 Ų8841.2 Ų41.233%0.33323%0.228SC..  trans-50.9132.2-170.9-53.4-14.8000112.4R298 Q320 N322 T378 S398 M399R298-W376 VanDerWaalsContact NH2-CZ3 3.35Å; Q320-W376 HydrophobicContact CB-CG 4.42Å; Q320-W376 HydrophobicContact CG-CB 4.38Å; Q320-W376 HydrophobicContact CG-CD2 3.65Å; Q320-W376 VanDerWaalsContact CG-CE2 3.45Å; Q320-W376 HydrophobicContact CG-CE3 4.49Å; Q320-W376 HydrophobicContact CG-CG 3.57Å; Q320-W376 HydrophobicContact CG-CZ2 4.14Å; Q320-W376 VanDerWaalsContact CG-NE1 3.26Å; Q320-W376 VanDerWaalsContact O-CD1 3.22Å; N322-W376 PolarHBondContact OD1-N 3.13Å; N322-W376 VanDerWaalsContact OD1-N 3.11Å; W376-T378 PolarHBondContact O-N 3.21Å; W376-S398 WeakPolarHBondContact O-CA 3.48Å; W376-S398 WeakPolarHBondContact O-CB 3.13Å; W376-S398 PolarHBondContact O-OG 3.46Å; W376-M399 HydrophobicContact CB-CB 4.41Å; W376-M399 HydrophobicContact CB-CG 3.91Å; W376-M399 HydrophobicContact CD2-CG 4.43Å; W376-M399 HydrophobicContact CE3-CG 4.07Å; W376-M399 HydrophobicContact CG-CG 4.41Å; W376-M399 PolarHBondContact O-N 3.29Å
377V96.3Very high91.5Very high0 Ų045.1 Ų45.10%025%0.246CC..EExtended strand (participates in β ladder)trans-78.5117.7172.5-172.60000108.6G319 V324 H373 N375 V380G319-V377 PolarHBondContact O-N 3.17Å; V324-V377 HydrophobicContact CG2-CB 4.47Å; V324-V377 HydrophobicContact CG2-CG1 3.92Å; V324-V377 HydrophobicContact CG2-CG2 3.86Å; H373-V377 HydrophobicContact CB-CG2 4.47Å; N375-V377 PolarHBondContact O-N 3.21Å; V377-V380 HydrophobicContact CG1-CG1 3.85Å
378T95Very high90.9Very high7 Ų743.8 Ų43.84%0.04325%0.249CC..EExtended strand (participates in β ladder)trans-101.8-28.2-172.647.30000113W376 C397 M399 L439 M440W376-T378 PolarHBondContact O-N 3.21Å; T378-C397 PolarHBondContact N-O 3.3Å; T378-C397 PolarHBondContact OG1-O 2.86Å; T378-M399 HydrophobicContact CG2-CG 3.58Å; T378-M399 HydrophobicContact CG2-SD 3.79Å; T378-L439 WeakPolarHBondContact CB-O 3.36Å; T378-L439 WeakPolarHBondContact CG2-O 3.41Å; T378-L439 PolarHBondContact OG1-O 2.96Å; T378-M440 CarbonylContact C-O 3.45Å; T378-M440 WeakPolarHBondContact CB-O 3.21Å
379G95.7Very high90.3Very high0 Ų048.2 Ų48.20%027%0.27CS..EExtended strand (participates in β ladder)trans-143.9144.1176.400000112.9T396 C397 D441G379-T396 WeakPolarHBondContact O-CA 3.39Å; G379-C397 VanDerWaalsContact CA-SG 3.57Å; G379-C397 PolarHBondContact N-O 3.05Å; G379-C397 PolarHBondContact N-SG 3.3Å; G379-C397 VanDerWaalsContact N-SG 3.38Å; G379-C397 PolarHBondContact O-N 2.73Å; G379-D441 WeakPolarHBondContact CA-OD1 3.37Å
380V96.8Very high89.8Confident1 Ų146.2 Ų46.21%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-136.3131.6173.1-66.40000108.7C299 D301 V316 V324 V377 L395 T396C299-V380 HydrophobicContact CB-CG2 3.96Å; D301-V380 HydrophobicContact CB-CG2 4.33Å; D301-V380 WeakPolarHBondContact CB-O 3.41Å; V316-V380 HydrophobicContact CG1-CB 4Å; V316-V380 HydrophobicContact CG1-CG2 3.84Å; V316-V380 HydrophobicContact CG2-CB 4.26Å; V316-V380 HydrophobicContact CG2-CG1 4.31Å; V324-V380 HydrophobicContact CG1-CG1 4.28Å; V324-V380 HydrophobicContact CG2-CG1 4.46Å; V377-V380 HydrophobicContact CG1-CG1 3.85Å; V380-L395 CarbonylContact C-O 3.56Å; V380-L395 WeakPolarHBondContact CA-O 3.42Å; V380-T396 HydrophobicContact CG1-CG2 4.04Å
381R96.1Very high89.4Confident24 Ų2447.4 Ų47.49%0.09126%0.263CS..EExtended strand (participates in β ladder)trans-143.8129.2178.2-75-59-173175.8-8.8113.7R98 R231 D301 L395 C442 H443 W444R98-R381 VanDerWaalsContact NH1-NH2 3.16Å; R231-R381 VanDerWaalsContact NH2-NH1 3.13Å; D301-R381 IonicContact OD1-CZ 2.85Å; D301-R381 IonicContact OD1-NH1 3.11Å; D301-R381 PolarHBondContact OD1-NH1 2.81Å; D301-R381 WeakPolarHBondContact OD2-CA 3.41Å; D301-R381 VanDerWaalsContact OD2-CD 3.28Å; D301-R381 WeakPolarHBondContact OD2-CD 2.95Å; D301-R381 IonicContact OD2-NH1 2.94Å; R381-L395 PolarHBondContact N-O 2.87Å; R381-L395 PolarHBondContact O-N 2.83Å; R381-C442 WeakPolarHBondContact CG-O 3.29Å; R381-H443 PolarHBondContact NH2-CE1 2.98Å; R381-W444 PolarHBondContact O-NE1 2.83Å
382W94.4Very high89.3Confident15 Ų1543.8 Ų43.86%0.05723%0.232CC..EExtended strand (participates in β ladder)trans-70.7137.3169.1-69.7112000111.1D301 C303 L314 V316 L326 P392 L394 W423 W444D301-W382 PolarHBondContact OD2-N 2.86Å; C303-W382 HydrophobicContact CB-CB 3.96Å; C303-W382 HydrophobicContact CB-CD2 4.1Å; C303-W382 HydrophobicContact CB-CG 3.65Å; L314-W382 HydrophobicContact CB-CH2 4.37Å; L314-W382 HydrophobicContact CB-CZ2 3.85Å; L314-W382 HydrophobicContact CD1-CH2 4.31Å; V316-W382 HydrophobicContact CB-CZ2 3.87Å; V316-W382 HydrophobicContact CG1-CZ2 4.23Å; L326-W382 HydrophobicContact CD2-CH2 3.69Å; L326-W382 HydrophobicContact CD2-CZ2 4.32Å; L326-W382 HydrophobicContact CG-CH2 4.31Å; L326-W382 HydrophobicContact CG-CZ2 4.48Å; W382-P392 HydrophobicContact CB-CG 4.41Å; W382-P392 HydrophobicContact CE3-CG 3.95Å; W382-L394 HydrophobicContact CD2-CD1 4.04Å; W382-L394 HydrophobicContact CE3-CB 3.97Å; W382-L394 HydrophobicContact CE3-CD1 3.99Å; W382-L394 HydrophobicContact CZ3-CB 3.8Å; W382-L394 HydrophobicContact CZ3-CD1 4.25Å; W382-L394 HydrophobicContact CZ3-CG 4.47Å; W382-W423 AromaticContact CH2-CH2 3.94Å; W382-W423 HydrophobicContact CH2-CH2 3.94Å; W382-W423 HydrophobicContact CH2-CZ2 4.37Å; W382-W423 AromaticContact CZ3-CH2 3.71Å; W382-W423 HydrophobicContact CZ3-CH2 3.71Å; W382-W423 HydrophobicContact CZ3-CZ3 4.36Å; W382-W444 VanDerWaalsContact O-CD1 3.26Å
383G92.1Very high89.4Confident3 Ų344.9 Ų44.93%0.03123%0.233CC..PPolyproline II helixtrans-72165.9171.900000112.1P392 N393 W444G383-P392 VanDerWaalsContact O-CB 3.32Å; G383-P392 WeakPolarHBondContact O-CB 3.16Å; G383-P392 WeakPolarHBondContact O-CG 3.37Å; G383-N393 WeakPolarHBondContact CA-O 3.36Å; G383-N393 PolarHBondContact N-O 3.48Å; G383-W444 VanDerWaalsContact CA-CD1 3.41Å
384P87.1Confident89.5Confident12 Ų1244.1 Ų44.18%0.07823%0.23CC..PPolyproline II helixtrans-63.2143.8173.826.8-33000110.7I386P384-I386 HydrophobicContact CB-CG1 4.49Å; P384-I386 HydrophobicContact CG-CD1 4.33Å; P384-I386 HydrophobicContact CG-CG1 4.28Å; P384-I386 PolarHBondContact O-N 2.84Å
385I82.4Confident89.7Confident47 Ų4736.3 Ų36.324%0.24119%0.193CC..  trans-75.5107.4171.7-61.3172000107.4F390 P392I385-F390 HydrophobicContact CD1-CD2 4.21Å; I385-P392 HydrophobicContact CG1-CB 4.37Å; I385-P392 HydrophobicContact CG1-CG 4.22Å
386I78.2Confident89.8Confident71 Ų7133.2 Ų33.236%0.36418%0.177SC..  trans-102.5128.3-178-58.1170.6000108.2P384 G388 L389P384-I386 HydrophobicContact CB-CG1 4.49Å; P384-I386 HydrophobicContact CG-CD1 4.33Å; P384-I386 HydrophobicContact CG-CG1 4.28Å; P384-I386 PolarHBondContact O-N 2.84Å; I386-G388 PolarHBondContact O-N 2.84Å; I386-G388 VanDerWaalsContact O-N 3.17Å; I386-L389 WeakPolarHBondContact O-CB 3.33Å; I386-L389 PolarHBondContact O-N 3.37Å; I386-L389 VanDerWaalsContact O-N 3.07Å
387N76.5Confident89.9Confident142 Ų14229 Ų2976%0.75916%0.161SC*.THydrogen-bonded Turntrans54.432.3177.6-56.1-23.8000114.2L389N387-L389 PolarHBondContact O-N 3.44Å
388G75.9Confident89.8Confident37 Ų3729 Ų2938%0.38116%0.161SC..THydrogen-bonded Turntrans71.59.4-179.300000114.9I386 F390I386-G388 PolarHBondContact O-N 2.84Å; I386-G388 VanDerWaalsContact O-N 3.17Å; G388-F390 PolarHBondContact O-N 3.09Å
389L79.5Confident89.7Confident119 Ų11930.8 Ų30.862%0.62317%0.169SC*.  trans-71.5111.9177.1-76157000110.7I386 N387I386-L389 WeakPolarHBondContact O-CB 3.33Å; I386-L389 PolarHBondContact O-N 3.37Å; I386-L389 VanDerWaalsContact O-N 3.07Å; N387-L389 PolarHBondContact O-N 3.44Å
390F82.5Confident89.5Confident48 Ų4832.7 Ų32.721%0.21118%0.179CC..SBendtrans-123.8131.2174-171.6-93.3000109.9C303 D305 V312 L314 I385 G388C303-F390 HydrophobicContact CB-CE2 4.45Å; D305-F390 HydrophobicContact CB-CD1 4.06Å; D305-F390 HydrophobicContact CB-CD2 3.84Å; D305-F390 HydrophobicContact CB-CE1 4.1Å; D305-F390 HydrophobicContact CB-CE2 3.88Å; D305-F390 HydrophobicContact CB-CG 3.92Å; D305-F390 HydrophobicContact CB-CZ 4Å; V312-F390 HydrophobicContact CB-CE1 4.35Å; V312-F390 HydrophobicContact CG1-CE1 3.94Å; V312-F390 HydrophobicContact CG1-CZ 4.39Å; L314-F390 HydrophobicContact CB-CZ 4.39Å; L314-F390 HydrophobicContact CD1-CE1 3.66Å; L314-F390 HydrophobicContact CD1-CE2 4.29Å; L314-F390 HydrophobicContact CD1-CZ 3.51Å; L314-F390 HydrophobicContact CG-CE1 4.01Å; L314-F390 HydrophobicContact CG-CZ 3.68Å; I385-F390 HydrophobicContact CD1-CD2 4.21Å; G388-F390 PolarHBondContact O-N 3.09Å
391P88.3Confident89.2Confident36 Ų3634.6 Ų34.623%0.23419%0.188CC..SBendcis-67.3154-0-10.624.5000112.9L314 P408 W423L314-P391 HydrophobicContact CD1-CB 3.72Å; L314-P391 HydrophobicContact CD1-CG 3.89Å; P391-P408 HydrophobicContact CB-CB 4.07Å; P391-P408 HydrophobicContact CB-CG 4.35Å; P391-P408 HydrophobicContact CG-CB 3.9Å; P391-P408 WeakPolarHBondContact O-CG 3.48Å; P391-W423 HydrophobicContact CB-CH2 3.87Å; P391-W423 HydrophobicContact CB-CZ2 4.14Å; P391-W423 HydrophobicContact CG-CH2 4.29Å; P391-W423 HydrophobicContact CG-CZ2 4.1Å
392P90.4Very high89.1Confident6 Ų633.9 Ų33.94%0.03919%0.186CC..PPolyproline II helixtrans-76.9169.4165.631.7-32.3000111.3C303 W382 G383 I385C303-P392 HydrophobicContact CB-CG 4.48Å; W382-P392 HydrophobicContact CB-CG 4.41Å; W382-P392 HydrophobicContact CE3-CG 3.95Å; G383-P392 VanDerWaalsContact O-CB 3.32Å; G383-P392 WeakPolarHBondContact O-CB 3.16Å; G383-P392 WeakPolarHBondContact O-CG 3.37Å; I385-P392 HydrophobicContact CG1-CB 4.37Å; I385-P392 HydrophobicContact CG1-CG 4.22Å
393N93.4Very high89.1Confident42 Ų4233.2 Ų33.223%0.22518%0.184CC..PPolyproline II helixtrans-60.5149.2170.5-67.4-23.6000110.6G383 I405 W406 P408 W444G383-N393 WeakPolarHBondContact CA-O 3.36Å; G383-N393 PolarHBondContact N-O 3.48Å; N393-I405 HydrophobicContact CB-CG2 4.28Å; N393-W406 CarbonylContact C-O 3.55Å; N393-W406 VanDerWaalsContact CA-O 3.3Å; N393-W406 WeakPolarHBondContact CA-O 3.06Å; N393-W406 WeakPolarHBondContact CB-O 3.17Å; N393-P408 WeakPolarHBondContact OD1-CD 3.5Å; N393-W444 HydrophobicContact CB-CH2 4.24Å; N393-W444 HydrophobicContact CB-CZ2 4.02Å
394L96.3Very high89.3Confident0 Ų033 Ų330%018%0.182CC..EExtended strand (participates in β ladder)trans-111.8135.7178.2172.471.7000109.8V316 V324 L326 L370 W382 T396 I405 W406 W423V316-L394 HydrophobicContact CB-CD1 4.24Å; V316-L394 HydrophobicContact CG1-CD1 3.88Å; V316-L394 HydrophobicContact CG2-CD1 3.99Å; V316-L394 HydrophobicContact CG2-CD2 3.83Å; V324-L394 HydrophobicContact CG1-CD2 4.17Å; L326-L394 HydrophobicContact CD1-CD2 4.21Å; L370-L394 HydrophobicContact CD1-CD2 3.66Å; W382-L394 HydrophobicContact CD2-CD1 4.04Å; W382-L394 HydrophobicContact CE3-CB 3.97Å; W382-L394 HydrophobicContact CE3-CD1 3.99Å; W382-L394 HydrophobicContact CZ3-CB 3.8Å; W382-L394 HydrophobicContact CZ3-CD1 4.25Å; W382-L394 HydrophobicContact CZ3-CG 4.47Å; L394-T396 HydrophobicContact CD1-CG2 4.46Å; L394-T396 HydrophobicContact CD2-CG2 3.96Å; L394-T396 HydrophobicContact CG-CG2 3.88Å; L394-I405 CarbonylContact O-C 3.59Å; L394-I405 WeakPolarHBondContact O-CA 3.48Å; L394-W406 HydrophobicContact CB-CB 4.18Å; L394-W406 PolarHBondContact N-O 3.46Å; L394-W406 PolarHBondContact O-N 3.24Å; L394-W423 HydrophobicContact CB-CZ3 4.22Å
395L97.4Very high89.8Confident0 Ų032.5 Ų32.50%018%0.178CC..EExtended strand (participates in β ladder)trans-108.4133.1174.1-176.172.1000109.5V380 R381 L403 I404 I405 C442 W444 V452V380-L395 CarbonylContact C-O 3.56Å; V380-L395 WeakPolarHBondContact CA-O 3.42Å; R381-L395 PolarHBondContact N-O 2.87Å; R381-L395 PolarHBondContact O-N 2.83Å; L395-L403 HydrophobicContact CD1-CD1 3.56Å; L395-L403 HydrophobicContact CD1-CD2 4.23Å; L395-L403 HydrophobicContact CD1-CG 3.75Å; L395-L403 HydrophobicContact CD2-CD1 4.2Å; L395-L403 HydrophobicContact CG-CD1 3.79Å; L395-I404 WeakPolarHBondContact CA-O 3.13Å; L395-I405 HydrophobicContact CD1-CD1 4.42Å; L395-I405 HydrophobicContact CD1-CG1 3.61Å; L395-C442 HydrophobicContact CD2-CB 3.71Å; L395-C442 HydrophobicContact CG-CB 4.07Å; L395-W444 HydrophobicContact CB-CZ2 3.92Å; L395-V452 HydrophobicContact CD1-CB 4.45Å; L395-V452 HydrophobicContact CD1-CG1 4.11Å; L395-V452 HydrophobicContact CD2-CB 3.96Å; L395-V452 HydrophobicContact CD2-CG1 3.85Å
396T97.5Very high90.4Very high0 Ų031 Ų310%017%0.17CC..EExtended strand (participates in β ladder)trans-135.1140.4179.265.70000110.2V324 H373 G379 V380 L394 L403 I404 W406V324-T396 HydrophobicContact CG1-CG2 4.27Å; V324-T396 HydrophobicContact CG2-CG2 4.05Å; H373-T396 WeakPolarHBondContact NE2-CB 3.21Å; H373-T396 PolarHBondContact NE2-OG1 2.92Å; G379-T396 WeakPolarHBondContact O-CA 3.39Å; V380-T396 HydrophobicContact CG1-CG2 4.04Å; L394-T396 HydrophobicContact CD1-CG2 4.46Å; L394-T396 HydrophobicContact CD2-CG2 3.96Å; L394-T396 HydrophobicContact CG-CG2 3.88Å; T396-L403 CarbonylContact O-C 3.52Å; T396-L403 WeakPolarHBondContact O-CA 3.22Å; T396-I404 PolarHBondContact N-O 3.18Å; T396-I404 PolarHBondContact O-N 2.78Å; T396-W406 PolarHBondContact OG1-NE1 3.26Å
397C96.1Very high91.1Very high0 Ų031.6 Ų31.60%017%0.171CC..EExtended strand (participates in β ladder)trans-128.4154.5174.869.70000111.8T378 G379 S402 L403 L439 C442 V454T378-C397 PolarHBondContact N-O 3.3Å; T378-C397 PolarHBondContact OG1-O 2.86Å; G379-C397 VanDerWaalsContact CA-SG 3.57Å; G379-C397 PolarHBondContact N-O 3.05Å; G379-C397 PolarHBondContact N-SG 3.3Å; G379-C397 VanDerWaalsContact N-SG 3.38Å; G379-C397 PolarHBondContact O-N 2.73Å; C397-S402 WeakPolarHBondContact CA-O 3.33Å; C397-L403 HydrophobicContact CB-CD1 3.74Å; C397-L439 HydrophobicContact CB-CB 3.93Å; C397-L439 HydrophobicContact CB-CD1 4.01Å; C397-C442 HydrophobicContact CB-CB 3.88Å; C397-C442 VanDerWaalsContact SG-SG 3.7Å; C397-V454 HydrophobicContact CB-CG2 4.15Å
398S94.8Very high91.8Very high0 Ų025.9 Ų25.90%014%0.142CC..EExtended strand (participates in β ladder)trans-139161.3-174.9169.10000113.3H373 N375 W376 D400 K401 S402 L439H373-S398 VanDerWaalsContact CG-CB 3.49Å; H373-S398 VanDerWaalsContact ND1-CB 3.28Å; H373-S398 WeakPolarHBondContact ND1-CB 3.14Å; N375-S398 PolarHBondContact O-OG 3.08Å; W376-S398 WeakPolarHBondContact O-CA 3.48Å; W376-S398 WeakPolarHBondContact O-CB 3.13Å; W376-S398 PolarHBondContact O-OG 3.46Å; S398-D400 WeakPolarHBondContact CB-OD1 3.31Å; S398-D400 PolarHBondContact O-N 2.82Å; S398-D400 VanDerWaalsContact OG-CG 3.26Å; S398-D400 PolarHBondContact OG-N 3.28Å; S398-D400 PolarHBondContact OG-OD1 2.92Å; S398-K401 PolarHBondContact O-N 3.09Å; S398-S402 PolarHBondContact N-O 2.64Å; S398-S402 VanDerWaalsContact N-O 3.16Å; S398-L439 WeakPolarHBondContact O-CB 3.37Å; S398-L439 PolarHBondContact O-N 3.35Å
399M92.2Very high92.3Very high44 Ų4426.1 Ų26.122%0.21714%0.137CC..THydrogen-bonded Turntrans-58.9-19.1170.3-70.5-65.6-69.600113.3N375 W376 T378 K401 S438 M440N375-M399 HydrophobicContact CB-CB 4.12Å; W376-M399 HydrophobicContact CB-CB 4.41Å; W376-M399 HydrophobicContact CB-CG 3.91Å; W376-M399 HydrophobicContact CD2-CG 4.43Å; W376-M399 HydrophobicContact CE3-CG 4.07Å; W376-M399 HydrophobicContact CG-CG 4.41Å; W376-M399 PolarHBondContact O-N 3.29Å; T378-M399 HydrophobicContact CG2-CG 3.58Å; T378-M399 HydrophobicContact CG2-SD 3.79Å; M399-K401 PolarHBondContact O-N 2.89Å; M399-S438 VanDerWaalsContact CE-CB 3.45Å; M399-S438 WeakPolarHBondContact CE-OG 3.43Å; M399-S438 PolarHBondContact O-OG 2.94Å; M399-S438 WeakPolarHBondContact SD-CB 3.28Å; M399-M440 HydrophobicContact SD-SD 4.29Å
400D91.2Very high92Very high39 Ų3923.7 Ų23.721%0.20913%0.13CC..THydrogen-bonded Turntrans-75.45.5176.270.37.1000114.6H373 E374 N375 S398 S402H373-D400 WeakPolarHBondContact CA-OD2 3.46Å; H373-D400 IonicContact ND1-OD1 2.88Å; H373-D400 IonicContact ND1-OD2 3.6Å; E374-D400 HydrophobicContact CB-CB 4.39Å; E374-D400 PolarHBondContact N-OD2 2.79Å; N375-D400 HydrophobicContact CB-CB 3.76Å; S398-D400 WeakPolarHBondContact CB-OD1 3.31Å; S398-D400 PolarHBondContact O-N 2.82Å; S398-D400 VanDerWaalsContact OG-CG 3.26Å; S398-D400 PolarHBondContact OG-N 3.28Å; S398-D400 PolarHBondContact OG-OD1 2.92Å; D400-S402 VanDerWaalsContact C-N 3.25Å; D400-S402 PolarHBondContact O-N 3.24Å; D400-S402 WeakPolarHBondContact OD1-CA 3.21Å; D400-S402 VanDerWaalsContact OD1-CB 3.25Å; D400-S402 WeakPolarHBondContact OD1-CB 3.49Å; D400-S402 PolarHBondContact OD1-N 2.64Å; D400-S402 PolarHBondContact OD1-OG 2.81Å; D400-S402 PolarHBondContact OD2-OG 2.93Å; D400-S402 VanDerWaalsContact OD2-OG 3.1Å
401K91.6Very high90.8Very high42 Ų4229.6 Ų29.618%0.18316%0.158CC..SBendtrans73.96.4-179-36.9-167.7-179176.70115.3S398 M399 G430 H431 G433 L437S398-K401 PolarHBondContact O-N 3.09Å; M399-K401 PolarHBondContact O-N 2.89Å; K401-G430 WeakPolarHBondContact O-CA 3.47Å; K401-H431 PolarHBondContact O-N 3.32Å; K401-G433 PolarHBondContact NZ-O 3.35Å; K401-L437 WeakPolarHBondContact CD-O 3.01Å; K401-L437 VanDerWaalsContact CE-O 3.27Å; K401-L437 WeakPolarHBondContact CE-O 3.43Å; K401-L437 WeakPolarHBondContact CG-O 3.48Å
402S93.1Very high88.7Confident9 Ų935.3 Ų35.36%0.06319%0.186CC..EExtended strand (participates in β ladder)trans-94.9138.5178.271.10000112.7H373 C397 S398 D400 L439H373-S402 PolarHBondContact CE1-O 2.84Å; H373-S402 PolarHBondContact CE1-OG 3.13Å; H373-S402 PolarHBondContact ND1-OG 3.31Å; C397-S402 WeakPolarHBondContact CA-O 3.33Å; S398-S402 PolarHBondContact N-O 2.64Å; S398-S402 VanDerWaalsContact N-O 3.16Å; D400-S402 VanDerWaalsContact C-N 3.25Å; D400-S402 PolarHBondContact O-N 3.24Å; D400-S402 WeakPolarHBondContact OD1-CA 3.21Å; D400-S402 VanDerWaalsContact OD1-CB 3.25Å; D400-S402 WeakPolarHBondContact OD1-CB 3.49Å; D400-S402 PolarHBondContact OD1-N 2.64Å; D400-S402 PolarHBondContact OD1-OG 2.81Å; D400-S402 PolarHBondContact OD2-OG 2.93Å; D400-S402 VanDerWaalsContact OD2-OG 3.1Å; S402-L439 WeakPolarHBondContact O-CD1 3.46Å
403L95Very high86.4Confident0 Ų039 Ų390%021%0.209CC..EExtended strand (participates in β ladder)trans-119.3114.3173.517971.6000107.3L395 T396 C397 R428 L429 L439 C442 V452 V454 W464L395-L403 HydrophobicContact CD1-CD1 3.56Å; L395-L403 HydrophobicContact CD1-CD2 4.23Å; L395-L403 HydrophobicContact CD1-CG 3.75Å; L395-L403 HydrophobicContact CD2-CD1 4.2Å; L395-L403 HydrophobicContact CG-CD1 3.79Å; T396-L403 CarbonylContact O-C 3.52Å; T396-L403 WeakPolarHBondContact O-CA 3.22Å; C397-L403 HydrophobicContact CB-CD1 3.74Å; L403-R428 WeakPolarHBondContact O-CA 3.2Å; L403-L429 HydrophobicContact CB-CB 4.13Å; L403-L429 HydrophobicContact CD2-CB 4.15Å; L403-L429 HydrophobicContact CD2-CD1 4.11Å; L403-L429 HydrophobicContact CG-CB 4.44Å; L403-L429 PolarHBondContact N-O 3Å; L403-L429 PolarHBondContact O-N 3.2Å; L403-L439 HydrophobicContact CB-CD1 4.08Å; L403-C442 HydrophobicContact CD1-CB 3.57Å; L403-V452 HydrophobicContact CD2-CG2 3.98Å; L403-V454 HydrophobicContact CD1-CG2 4.47Å; L403-W464 HydrophobicContact CD2-CE3 3.9Å; L403-W464 HydrophobicContact CD2-CZ3 3.81Å
404I96.5Very high83.9Confident0 Ų044.2 Ų44.20%024%0.236CC..EExtended strand (participates in β ladder)trans-113.2133-173.3-56.9175.5000110L395 T396 W406 E425 R428L395-I404 WeakPolarHBondContact CA-O 3.13Å; T396-I404 PolarHBondContact N-O 3.18Å; T396-I404 PolarHBondContact O-N 2.78Å; I404-W406 HydrophobicContact CB-CZ2 4.38Å; I404-W406 HydrophobicContact CD1-CZ2 3.98Å; I404-W406 HydrophobicContact CG2-CD2 3.92Å; I404-W406 VanDerWaalsContact CG2-CE2 3.44Å; I404-W406 HydrophobicContact CG2-CG 4.21Å; I404-W406 HydrophobicContact CG2-CH2 4.49Å; I404-W406 HydrophobicContact CG2-CZ2 3.78Å; I404-E425 HydrophobicContact CG2-CB 4.49Å; I404-E425 HydrophobicContact CG2-CG 3.8Å; I404-R428 HydrophobicContact CG1-CG 4.24Å
405I96.1Very high81Confident0 Ų052.5 Ų52.50%028%0.28CS..EExtended strand (participates in β ladder)trans-101.8113.2169.5-60.9175000108N393 L394 L395 K426 A427 L429 W444 V452 W472N393-I405 HydrophobicContact CB-CG2 4.28Å; L394-I405 CarbonylContact O-C 3.59Å; L394-I405 WeakPolarHBondContact O-CA 3.48Å; L395-I405 HydrophobicContact CD1-CD1 4.42Å; L395-I405 HydrophobicContact CD1-CG1 3.61Å; I405-K426 HydrophobicContact CG2-CB 4.18Å; I405-K426 HydrophobicContact CG2-CD 4.36Å; I405-K426 WeakPolarHBondContact O-CB 3.48Å; I405-K426 PolarHBondContact O-N 2.96Å; I405-A427 HydrophobicContact CB-CB 4.36Å; I405-A427 HydrophobicContact CD1-CB 4.33Å; I405-A427 PolarHBondContact N-O 3.29Å; I405-A427 PolarHBondContact O-N 3.21Å; I405-L429 HydrophobicContact CD1-CD1 4.35Å; I405-W444 HydrophobicContact CD1-CH2 3.99Å; I405-W444 HydrophobicContact CG1-CH2 4.19Å; I405-W444 HydrophobicContact CG1-CZ2 4.41Å; I405-W444 HydrophobicContact CG2-CH2 3.82Å; I405-W444 HydrophobicContact CG2-CZ2 4.06Å; I405-V452 HydrophobicContact CD1-CG1 4.5Å; I405-W472 HydrophobicContact CD1-CD2 4.26Å; I405-W472 HydrophobicContact CD1-CH2 3.68Å; I405-W472 HydrophobicContact CD1-CZ2 3.23Å; I405-W472 HydrophobicContact CD1-CZ3 4.35Å
406W96Very high78.2Confident17 Ų1755.5 Ų55.56%0.06430%0.301CS..EExtended strand (participates in β ladder)trans-94.8132.5176.4-55.889.4000110.5L370 N393 L394 T396 I404 W423 K424 E425L370-W406 HydrophobicContact CB-CD2 4.36Å; L370-W406 HydrophobicContact CB-CE3 4.37Å; L370-W406 HydrophobicContact CB-CH2 4.1Å; L370-W406 HydrophobicContact CB-CZ2 4.06Å; L370-W406 HydrophobicContact CB-CZ3 4.25Å; L370-W406 HydrophobicContact CD1-CB 4.24Å; L370-W406 HydrophobicContact CD1-CD2 3.77Å; L370-W406 HydrophobicContact CD1-CE3 4.18Å; L370-W406 HydrophobicContact CD1-CG 3.79Å; L370-W406 HydrophobicContact CD2-CE3 4.22Å; L370-W406 HydrophobicContact CD2-CZ3 4.48Å; L370-W406 HydrophobicContact CG-CD2 4.48Å; L370-W406 HydrophobicContact CG-CE3 4.5Å; N393-W406 CarbonylContact C-O 3.55Å; N393-W406 VanDerWaalsContact CA-O 3.3Å; N393-W406 WeakPolarHBondContact CA-O 3.06Å; N393-W406 WeakPolarHBondContact CB-O 3.17Å; L394-W406 HydrophobicContact CB-CB 4.18Å; L394-W406 PolarHBondContact N-O 3.46Å; L394-W406 PolarHBondContact O-N 3.24Å; T396-W406 PolarHBondContact OG1-NE1 3.26Å; I404-W406 HydrophobicContact CB-CZ2 4.38Å; I404-W406 HydrophobicContact CD1-CZ2 3.98Å; I404-W406 HydrophobicContact CG2-CD2 3.92Å; I404-W406 VanDerWaalsContact CG2-CE2 3.44Å; I404-W406 HydrophobicContact CG2-CG 4.21Å; I404-W406 HydrophobicContact CG2-CH2 4.49Å; I404-W406 HydrophobicContact CG2-CZ2 3.78Å; W406-W423 HydrophobicContact CB-CE3 3.97Å; W406-W423 HydrophobicContact CB-CZ3 4.41Å; W406-K424 CarbonylContact C-O 3.6Å; W406-K424 WeakPolarHBondContact CA-O 3.11Å; W406-E425 HydrophobicContact CZ3-CB 4.49Å
407Q93.1Very high75.5Confident83 Ų8361.4 Ų61.439%0.38834%0.342SS..EExtended strand (participates in β ladder)trans-104.5132.6175.3-179.9173.812.300109.8W423 K424 K426Q407-W423 WeakPolarHBondContact O-CA 3.46Å; Q407-K424 PolarHBondContact N-O 3.16Å; Q407-K424 PolarHBondContact O-N 2.58Å; Q407-K426 HydrophobicContact CB-CB 4.01Å
408P91.6Very high72.8Confident21 Ų2168.3 Ų68.314%0.13638%0.379CS..PPolyproline II helixtrans-67.1157.1176.327.2-34.2000111.6P391 N393 S410 W423P391-P408 HydrophobicContact CB-CB 4.07Å; P391-P408 HydrophobicContact CB-CG 4.35Å; P391-P408 HydrophobicContact CG-CB 3.9Å; P391-P408 WeakPolarHBondContact O-CG 3.48Å; N393-P408 WeakPolarHBondContact OD1-CD 3.5Å; P408-S410 PolarHBondContact O-N 2.96Å; P408-W423 HydrophobicContact CB-CD2 4.48Å; P408-W423 HydrophobicContact CB-CE3 4.23Å; P408-W423 HydrophobicContact CB-CH2 3.69Å; P408-W423 HydrophobicContact CB-CZ2 3.97Å; P408-W423 HydrophobicContact CB-CZ3 3.85Å; P408-W423 HydrophobicContact CG-CH2 4.41Å; P408-W423 HydrophobicContact CG-CZ3 4.38Å
409P84.8Confident70.2Confident43 Ų4374.9 Ų74.928%0.27941%0.412SS..PPolyproline II helixtrans-61.3130.2174.823-30.7000111.3
410S73.3Confident68Low68 Ų6877.4 Ų77.448%0.47643%0.432SS..PPolyproline II helixtrans-83.3126.217756.50000111.3P408 N412 T413P408-S410 PolarHBondContact O-N 2.96Å; S410-N412 PolarHBondContact O-N 3.32Å; S410-N412 VanDerWaalsContact O-N 3.1Å; S410-T413 PolarHBondContact O-OG1 2.87Å
411E57.7Low67.1Low171 Ų17179.8 Ų79.880%0.79945%0.452SS*.THydrogen-bonded Turntrans-58.8-23.1179-67.1-172.5157.200113.7T413 L414E411-T413 VanDerWaalsContact C-N 3.26Å; E411-T413 PolarHBondContact O-N 3.06Å; E411-T413 VanDerWaalsContact O-N 3.09Å; E411-L414 WeakPolarHBondContact O-CD1 3.31Å
412N44.2Very low66.7Low157 Ų15783 Ų8384%0.8447%0.471SS*.THydrogen-bonded Turntrans-81.120.2-173.2-70.5-16.4000116S410S410-N412 PolarHBondContact O-N 3.32Å; S410-N412 VanDerWaalsContact O-N 3.1Å
413T42.6Very low66.6Low82 Ų8283.6 Ų83.650%0.50347%0.472SS..  trans-10633.4173.850.80000113.1S410 E411 D415S410-T413 PolarHBondContact O-OG1 2.87Å; E411-T413 VanDerWaalsContact C-N 3.26Å; E411-T413 PolarHBondContact O-N 3.06Å; E411-T413 VanDerWaalsContact O-N 3.09Å; T413-D415 PolarHBondContact O-N 3.03Å; T413-D415 VanDerWaalsContact O-N 3.11Å
414L40.2Very low66.5Low153 Ų15390 Ų9080%0.80150%0.499SS*.THydrogen-bonded Turntrans-69.95.2-179.4-85150.3000115.8E411E411-L414 WeakPolarHBondContact O-CD1 3.31Å
415D36.6Very low66.4Low174 Ų17494.1 Ų94.193%0.9352%0.519SS*.THydrogen-bonded Turntrans-93.911.9-179.2-76-15.8000115T413T413-D415 PolarHBondContact O-N 3.03Å; T413-D415 VanDerWaalsContact O-N 3.11Å
416S38.6Very low66.2Low62 Ų6297.8 Ų97.843%0.43454%0.535SS..SBendtrans-141.7120.3168.461.40000110.8D418 M419S416-D418 PolarHBondContact O-N 2.88Å; S416-M419 VanDerWaalsContact OG-CG 3.3Å; S416-M419 WeakPolarHBondContact OG-CG 3.33Å
417S40.7Very low66.1Low124 Ų12497.7 Ų97.787%0.86754%0.538SS*.THydrogen-bonded Turntrans-65.113.7-172.551.90000116.3
418D38.8Very low66.1Low145 Ų14598.8 Ų98.878%0.77554%0.538SS*.THydrogen-bonded Turntrans-14211-173.2-89-32.1000115.2S416 C420S416-D418 PolarHBondContact O-N 2.88Å; D418-C420 PolarHBondContact O-N 3.09Å
419M39.7Very low66.1Low139 Ų13998.9 Ų98.969%0.68554%0.538SS*.  trans-91.4101.5178.8-71.6-67.8119.100111.6S416 S421S416-M419 VanDerWaalsContact OG-CG 3.3Å; S416-M419 WeakPolarHBondContact OG-CG 3.33Å; M419-S421 PolarHBondContact O-N 3.19Å
420C47.6Very low66.2Low96 Ų9697.3 Ų97.365%0.64953%0.529SS*.  trans-52.9129.1168.7-158.90000109.8D418 L422D418-C420 PolarHBondContact O-N 3.09Å; C420-L422 VanDerWaalsContact C-N 3.3Å; C420-L422 HydrophobicContact CB-CD1 4.23Å; C420-L422 HydrophobicContact CB-CG 4.09Å; C420-L422 PolarHBondContact O-N 3.44Å
421S70.5Confident66.5Low89 Ų8994.7 Ų94.762%0.62251%0.509SS*.  trans-68.284.6179.461.50000110.4M419M419-S421 PolarHBondContact O-N 3.19Å
422L84.2Confident67Low111 Ų11194.7 Ų94.758%0.58151%0.507SS*.  trans-102.8140.6-175.4-67.3167.6000111.5C420C420-L422 VanDerWaalsContact C-N 3.3Å; C420-L422 HydrophobicContact CB-CD1 4.23Å; C420-L422 HydrophobicContact CB-CG 4.09Å; C420-L422 PolarHBondContact O-N 3.44Å
423W91.7Very high67.8Low21 Ų2188.9 Ų88.98%0.0848%0.484CS..  trans-62.8142165.1-73.378.3000110.5L326 E367 S368 L370 W382 P391 L394 W406 Q407 P408L326-W423 HydrophobicContact CD2-CD2 4.35Å; L326-W423 HydrophobicContact CD2-CH2 3.95Å; L326-W423 HydrophobicContact CD2-CZ2 3.36Å; E367-W423 PolarHBondContact OE1-NE1 2.82Å; E367-W423 PolarHBondContact OE2-NE1 3.16Å; S368-W423 PolarHBondContact OG-NE1 2.93Å; L370-W423 HydrophobicContact CD2-CB 3.45Å; L370-W423 VanDerWaalsContact CD2-CB 3.45Å; L370-W423 HydrophobicContact CD2-CD2 4.38Å; L370-W423 HydrophobicContact CD2-CG 3.72Å; W382-W423 AromaticContact CH2-CH2 3.94Å; W382-W423 HydrophobicContact CH2-CH2 3.94Å; W382-W423 HydrophobicContact CH2-CZ2 4.37Å; W382-W423 AromaticContact CZ3-CH2 3.71Å; W382-W423 HydrophobicContact CZ3-CH2 3.71Å; W382-W423 HydrophobicContact CZ3-CZ3 4.36Å; P391-W423 HydrophobicContact CB-CH2 3.87Å; P391-W423 HydrophobicContact CB-CZ2 4.14Å; P391-W423 HydrophobicContact CG-CH2 4.29Å; P391-W423 HydrophobicContact CG-CZ2 4.1Å; L394-W423 HydrophobicContact CB-CZ3 4.22Å; W406-W423 HydrophobicContact CB-CE3 3.97Å; W406-W423 HydrophobicContact CB-CZ3 4.41Å; Q407-W423 WeakPolarHBondContact O-CA 3.46Å; P408-W423 HydrophobicContact CB-CD2 4.48Å; P408-W423 HydrophobicContact CB-CE3 4.23Å; P408-W423 HydrophobicContact CB-CH2 3.69Å; P408-W423 HydrophobicContact CB-CZ2 3.97Å; P408-W423 HydrophobicContact CB-CZ3 3.85Å; P408-W423 HydrophobicContact CG-CH2 4.41Å; P408-W423 HydrophobicContact CG-CZ3 4.38Å
424K92.3Very high68.4Low133 Ų13392 Ų9258%0.57850%0.497SS*.EExtended strand (participates in β ladder)trans-121.1145.3-179-65.1-179.8-177.3175.10111.1W406 Q407 K426W406-K424 CarbonylContact C-O 3.6Å; W406-K424 WeakPolarHBondContact CA-O 3.11Å; Q407-K424 PolarHBondContact N-O 3.16Å; Q407-K424 PolarHBondContact O-N 2.58Å; K424-K426 PolarHBondContact O-N 2.85Å
425E93.3Very high69.1Low87 Ų8787.2 Ų87.241%0.40748%0.475SS..EExtended strand (participates in β ladder)trans-72108.3167.1179.9173.2137.600108.8I404 W406 R428I404-E425 HydrophobicContact CG2-CB 4.49Å; I404-E425 HydrophobicContact CG2-CG 3.8Å; W406-E425 HydrophobicContact CZ3-CB 4.49Å; E425-R428 WeakPolarHBondContact OE1-CB 3.14Å; E425-R428 IonicContact OE1-NH1 3.94Å; E425-R428 IonicContact OE2-NH1 2.65Å; E425-R428 PolarHBondContact OE2-NH1 3.33Å
426K91.9Very high70Confident77 Ų7781.3 Ų81.334%0.33546%0.455SS..EExtended strand (participates in β ladder)trans-78.1-41.3177.5-177.2-178.7177-1710111.2I405 Q407 K424I405-K426 HydrophobicContact CG2-CB 4.18Å; I405-K426 HydrophobicContact CG2-CD 4.36Å; I405-K426 WeakPolarHBondContact O-CB 3.48Å; I405-K426 PolarHBondContact O-N 2.96Å; Q407-K426 HydrophobicContact CB-CB 4.01Å; K424-K426 PolarHBondContact O-N 2.85Å
427A93.9Very high71.2Confident15 Ų1578.4 Ų78.412%0.12444%0.435CS..EExtended strand (participates in β ladder)trans-154.9148.4178.800000110.4I405I405-A427 HydrophobicContact CB-CB 4.36Å; I405-A427 HydrophobicContact CD1-CB 4.33Å; I405-A427 PolarHBondContact N-O 3.29Å; I405-A427 PolarHBondContact O-N 3.21Å
428R93.6Very high73.3Confident107 Ų10773.8 Ų73.840%0.40440%0.402SS..EExtended strand (participates in β ladder)trans-124.9123.1169.8-178.1176.7-147131.1-2.4109.3G372 L403 I404 E425G372-R428 PolarHBondContact O-NH2 3.17Å; L403-R428 WeakPolarHBondContact O-CA 3.2Å; I404-R428 HydrophobicContact CG1-CG 4.24Å; E425-R428 WeakPolarHBondContact OE1-CB 3.14Å; E425-R428 IonicContact OE1-NH1 3.94Å; E425-R428 IonicContact OE2-NH1 2.65Å; E425-R428 PolarHBondContact OE2-NH1 3.33Å
429L92.3Very high75.8Confident23 Ų2366.9 Ų66.912%0.1237%0.365CS..EExtended strand (participates in β ladder)trans-118.7173.4-179.3-47.4175.7000107.4L403 I405 V452 W464 W472L403-L429 HydrophobicContact CB-CB 4.13Å; L403-L429 HydrophobicContact CD2-CB 4.15Å; L403-L429 HydrophobicContact CD2-CD1 4.11Å; L403-L429 HydrophobicContact CG-CB 4.44Å; L403-L429 PolarHBondContact N-O 3Å; L403-L429 PolarHBondContact O-N 3.2Å; I405-L429 HydrophobicContact CD1-CD1 4.35Å; L429-V452 HydrophobicContact CD1-CG2 3.94Å; L429-W464 HydrophobicContact CB-CD2 4.48Å; L429-W464 HydrophobicContact CD1-CB 3.9Å; L429-W464 HydrophobicContact CD1-CD2 4.29Å; L429-W464 HydrophobicContact CD1-CG 3.94Å; L429-W472 HydrophobicContact CD1-CB 4.27Å; L429-W472 HydrophobicContact CD1-CD2 4.01Å; L429-W472 HydrophobicContact CD1-CE3 4Å; L429-W472 HydrophobicContact CD1-CG 4.13Å; L429-W472 HydrophobicContact CD2-CB 3.39Å; L429-W472 HydrophobicContact CD2-CG 3.78Å; L429-W472 HydrophobicContact CG-CB 4.47Å
430G86.7Confident78.3Confident9 Ų961.3 Ų61.39%0.09334%0.338CS..EExtended strand (participates in β ladder)trans153.4-178.5178.900000111.7K401K401-G430 WeakPolarHBondContact O-CA 3.47Å
431H79.2Confident80.5Confident13 Ų1357.2 Ų57.26%0.0631%0.31CS..  trans-98.9143.8177.1-64.9107.2000110K401 L439 S462 W464 D670K401-H431 PolarHBondContact O-N 3.32Å; H431-L439 WeakPolarHBondContact ND1-CD2 3.29Å; H431-S462 PolarHBondContact CE1-OG 3.09Å; H431-S462 WeakPolarHBondContact NE2-CB 3.35Å; H431-S462 PolarHBondContact NE2-OG 3.42Å; H431-W464 AromaticContact CE1-CH2 3.74Å; H431-W464 AromaticContact NE2-CH2 3.91Å; H431-D670 WeakPolarHBondContact CA-OD1 3.46Å; H431-D670 WeakPolarHBondContact CB-OD1 3.43Å; H431-D670 IonicContact CD2-OD1 3.21Å; H431-D670 PolarHBondContact CD2-OD1 3.32Å; H431-D670 VanDerWaalsContact CD2-OD1 3.24Å; H431-D670 IonicContact CD2-OD2 3.33Å; H431-D670 IonicContact CG-OD1 3.23Å
432F68Low81.7Confident171 Ų17153 Ų5375%0.7528%0.28SS*.  trans-111.2122177.2-64-83.9000109.3D670F432-D670 PolarHBondContact N-OD1 2.91Å
433G62.1Low82.2Confident35 Ų3548 Ų4836%0.36125%0.254SS..  trans155.1160.1178.100000113.8K401 H674K401-G433 PolarHBondContact NZ-O 3.35Å; G433-H674 WeakPolarHBondContact CA-NE2 3.39Å
434D54.5Low82.3Confident148 Ų14847.7 Ų47.779%0.79125%0.252SS*.SBendtrans-88.9-28-178.1-105.4-14.8000113G436D434-G436 PolarHBondContact O-N 3.06Å
435T54.5Low82.2Confident52 Ų5241.6 Ų41.632%0.31923%0.226SC..SBendtrans-89.396-172.651.70000111.7H674T435-H674 PolarHBondContact OG1-CE1 2.77Å
436G55.9Low81.6Confident50 Ų5038 Ų3852%0.51521%0.21SC..SBendtrans46.378.4150.800000117.6D434D434-G436 PolarHBondContact O-N 3.06Å
437L63.7Low80.8Confident2 Ų236.4 Ų36.41%0.0121%0.205CC..  trans-151.2103.9153.8-68.2177.1000108K401 T456 Q458 E669 Q673K401-L437 WeakPolarHBondContact CD-O 3.01Å; K401-L437 VanDerWaalsContact CE-O 3.27Å; K401-L437 WeakPolarHBondContact CE-O 3.43Å; K401-L437 WeakPolarHBondContact CG-O 3.48Å; L437-T456 HydrophobicContact CB-CG2 4.36Å; L437-T456 HydrophobicContact CD1-CG2 4.26Å; L437-T456 HydrophobicContact CD2-CG2 4.2Å; L437-Q458 HydrophobicContact CD2-CB 3.28Å; L437-Q458 HydrophobicContact CD2-CG 4.41Å; L437-E669 HydrophobicContact CD1-CG 3.56Å; L437-Q673 HydrophobicContact CD1-CG 4.35Å; L437-Q673 VanDerWaalsContact CD1-OE1 3.29Å
438S84.2Confident79.8Confident27 Ų2737.9 Ų37.919%0.18922%0.222CC..  trans-93.1148.6163.8-70.90000109M399 T456 F457M399-S438 VanDerWaalsContact CE-CB 3.45Å; M399-S438 WeakPolarHBondContact CE-OG 3.43Å; M399-S438 PolarHBondContact O-OG 2.94Å; M399-S438 WeakPolarHBondContact SD-CB 3.28Å; S438-T456 CarbonylContact O-C 3.48Å; S438-T456 WeakPolarHBondContact O-CA 3.25Å; S438-F457 PolarHBondContact O-N 3.02Å
439L92.2Very high79.2Confident0 Ų033.2 Ų33.20%021%0.208CC..EExtended strand (participates in β ladder)trans-81.8137.1178.2-54.4178.1000109.7T378 C397 S398 S402 L403 H431 V454 T456T378-L439 WeakPolarHBondContact CB-O 3.36Å; T378-L439 WeakPolarHBondContact CG2-O 3.41Å; T378-L439 PolarHBondContact OG1-O 2.96Å; C397-L439 HydrophobicContact CB-CB 3.93Å; C397-L439 HydrophobicContact CB-CD1 4.01Å; S398-L439 WeakPolarHBondContact O-CB 3.37Å; S398-L439 PolarHBondContact O-N 3.35Å; S402-L439 WeakPolarHBondContact O-CD1 3.46Å; L403-L439 HydrophobicContact CB-CD1 4.08Å; H431-L439 WeakPolarHBondContact ND1-CD2 3.29Å; L439-V454 HydrophobicContact CB-CG2 3.8Å; L439-V454 HydrophobicContact CD1-CG2 4.07Å; L439-V454 HydrophobicContact CD2-CB 4.39Å; L439-V454 HydrophobicContact CD2-CG1 3.63Å; L439-V454 HydrophobicContact CD2-CG2 3.8Å; L439-V454 HydrophobicContact CG-CG2 4.07Å; L439-T456 HydrophobicContact CD2-CG2 4.21Å
440M92.3Very high78.9Confident22 Ų2235.4 Ų35.411%0.10822%0.217CC..EExtended strand (participates in β ladder)trans-109.4-39.3-172-70.5-58.8-5900113.5H26 S28 T378 M399 H455 F457H26-M440 WeakPolarHBondContact O-CE 3.37Å; S28-M440 WeakPolarHBondContact CA-O 3.41Å; S28-M440 VanDerWaalsContact CB-O 3.22Å; S28-M440 WeakPolarHBondContact CB-O 3.35Å; T378-M440 CarbonylContact C-O 3.45Å; T378-M440 WeakPolarHBondContact CB-O 3.21Å; M399-M440 HydrophobicContact SD-SD 4.29Å; M440-H455 WeakPolarHBondContact CB-NE2 3.43Å; M440-H455 PolarHBondContact N-O 3.04Å; M440-F457 HydrophobicContact CG-CB 4.15Å; M440-F457 HydrophobicContact CG-CD2 4.5Å; M440-F457 HydrophobicContact SD-CB 4.31Å; M440-F457 HydrophobicContact SD-CD2 3.86Å
441D93.9Very high79.1Confident10 Ų1035.4 Ų35.45%0.05321%0.214CC..EExtended strand (participates in β ladder)trans-157.8157.5168.6-161.514000109.6S28 G379 H443 V454 H455S28-D441 WeakPolarHBondContact O-CB 3.2Å; S28-D441 VanDerWaalsContact O-OD2 3.09Å; G379-D441 WeakPolarHBondContact CA-OD1 3.37Å; D441-H443 IonicContact OD2-CD2 3.81Å; D441-H443 IonicContact OD2-CE1 2.69Å; D441-H443 IonicContact OD2-NE2 3.42Å; D441-H443 PolarHBondContact OD2-NE2 2.84Å; D441-V454 WeakPolarHBondContact O-CA 3.25Å; D441-V454 WeakPolarHBondContact O-CG2 3.29Å; D441-H455 WeakPolarHBondContact CB-CE1 3.29Å; D441-H455 PolarHBondContact O-N 2.86Å
442C95.2Very high79.7Confident0 Ų034.8 Ų34.80%021%0.212CC..EExtended strand (participates in β ladder)trans-130.7150.3-177.961.70000110.6R381 L395 C397 L403 F453 V454R381-C442 WeakPolarHBondContact CG-O 3.29Å; L395-C442 HydrophobicContact CD2-CB 3.71Å; L395-C442 HydrophobicContact CG-CB 4.07Å; C397-C442 HydrophobicContact CB-CB 3.88Å; C397-C442 VanDerWaalsContact SG-SG 3.7Å; L403-C442 HydrophobicContact CD1-CB 3.57Å; C442-F453 CarbonylContact C-O 3.45Å; C442-F453 WeakPolarHBondContact CA-O 3.4Å; C442-V454 HydrophobicContact CB-CG2 4.07Å
443H94.7Very high80.9Confident7 Ų726.7 Ų26.73%0.03218%0.176CC..EExtended strand (participates in β ladder)trans-145.8147.1178.5-64.8-105.9000111.6S31 I33 R381 D441 V452 F453S31-H443 PolarHBondContact O-CE1 3.19Å; S31-H443 VanDerWaalsContact O-CE1 3.31Å; S31-H443 PolarHBondContact O-NE2 3.32Å; S31-H443 PolarHBondContact OG-NE2 2.85Å; S31-H443 VanDerWaalsContact OG-NE2 3.14Å; I33-H443 HydrophobicContact CG2-CB 4.15Å; R381-H443 PolarHBondContact NH2-CE1 2.98Å; D441-H443 IonicContact OD2-CD2 3.81Å; D441-H443 IonicContact OD2-CE1 2.69Å; D441-H443 IonicContact OD2-NE2 3.42Å; D441-H443 PolarHBondContact OD2-NE2 2.84Å; H443-V452 WeakPolarHBondContact O-CA 3.21Å; H443-F453 HydrophobicContact CB-CD1 3.95Å; H443-F453 HydrophobicContact CB-CE1 3.33Å; H443-F453 HydrophobicContact CB-CE2 4.11Å; H443-F453 HydrophobicContact CB-CZ 3.41Å; H443-F453 VanDerWaalsContact CB-CZ 3.41Å; H443-F453 AromaticContact CD2-CE2 3.69Å; H443-F453 AromaticContact CD2-CZ 3.49Å; H443-F453 VanDerWaalsContact CD2-CZ 3.49Å; H443-F453 WeakPolarHBondContact CD2-CZ 3.33Å; H443-F453 AromaticContact CG-CE1 3.97Å; H443-F453 AromaticContact CG-CZ 3.53Å; H443-F453 PolarHBondContact N-O 2.82Å; H443-F453 PolarHBondContact O-N 3.08Å
444W93.1Very high82.5Confident13 Ų1325 Ų255%0.04916%0.159CC..EExtended strand (participates in β ladder)trans-78147.5165.5-69.392.5000110.3R381 W382 G383 N393 L395 I405 P446 G449 V452 W472R381-W444 PolarHBondContact O-NE1 2.83Å; W382-W444 VanDerWaalsContact O-CD1 3.26Å; G383-W444 VanDerWaalsContact CA-CD1 3.41Å; N393-W444 HydrophobicContact CB-CH2 4.24Å; N393-W444 HydrophobicContact CB-CZ2 4.02Å; L395-W444 HydrophobicContact CB-CZ2 3.92Å; I405-W444 HydrophobicContact CD1-CH2 3.99Å; I405-W444 HydrophobicContact CG1-CH2 4.19Å; I405-W444 HydrophobicContact CG1-CZ2 4.41Å; I405-W444 HydrophobicContact CG2-CH2 3.82Å; I405-W444 HydrophobicContact CG2-CZ2 4.06Å; W444-P446 WeakPolarHBondContact O-CD 3.2Å; W444-G449 VanDerWaalsContact CZ3-O 3.31Å; W444-G449 WeakPolarHBondContact CZ3-O 3.4Å; W444-V452 HydrophobicContact CD2-CG1 3.81Å; W444-V452 HydrophobicContact CE3-CG1 3.42Å; W444-V452 VanDerWaalsContact CE3-CG1 3.42Å; W444-V452 HydrophobicContact CH2-CG1 4.1Å; W444-V452 HydrophobicContact CZ2-CG1 4.44Å; W444-V452 HydrophobicContact CZ3-CG1 3.57Å; W444-W472 HydrophobicContact CZ3-CH2 4.14Å
445F89.9Confident84.3Confident5 Ų518 Ų182%0.02212%0.121CC..  trans-70.8130158.4-79.7-117.2000108.4I33 T46 F81 N447 K451 F453 V463I33-F445 HydrophobicContact CD1-CD1 4.29Å; I33-F445 HydrophobicContact CD1-CD2 4.47Å; I33-F445 HydrophobicContact CD1-CG 4.27Å; T46-F445 HydrophobicContact CG2-CD1 3.81Å; T46-F445 HydrophobicContact CG2-CE1 4.21Å; F81-F445 HydrophobicContact CD2-CZ 4.17Å; F81-F445 HydrophobicContact CE1-CE1 4.13Å; F81-F445 HydrophobicContact CE1-CZ 4.2Å; F81-F445 AromaticContact CE2-CE1 3.93Å; F81-F445 HydrophobicContact CE2-CE1 3.93Å; F81-F445 AromaticContact CE2-CE2 3.81Å; F81-F445 HydrophobicContact CE2-CE2 3.81Å; F81-F445 AromaticContact CE2-CZ 3.17Å; F81-F445 HydrophobicContact CE2-CZ 3.17Å; F81-F445 HydrophobicContact CZ-CD1 4.43Å; F81-F445 AromaticContact CZ-CE1 3.43Å; F81-F445 HydrophobicContact CZ-CE1 3.43Å; F81-F445 VanDerWaalsContact CZ-CE1 3.43Å; F81-F445 AromaticContact CZ-CE2 3.99Å; F81-F445 HydrophobicContact CZ-CE2 3.99Å; F81-F445 AromaticContact CZ-CZ 3.18Å; F81-F445 HydrophobicContact CZ-CZ 3.18Å; F445-N447 PolarHBondContact O-N 3.4Å; F445-K451 HydrophobicContact CB-CB 3.87Å; F445-K451 HydrophobicContact CD1-CB 4.32Å; F445-K451 HydrophobicContact CD1-CD 4.41Å; F445-K451 HydrophobicContact CD2-CB 3.5Å; F445-K451 HydrophobicContact CE2-CB 4.04Å; F445-K451 HydrophobicContact CG-CB 3.64Å; F445-K451 PolarHBondContact N-O 3.05Å; F445-F453 HydrophobicContact CD2-CD1 4.26Å; F445-F453 HydrophobicContact CE2-CB 4.12Å; F445-F453 AromaticContact CE2-CD1 3.91Å; F445-F453 HydrophobicContact CE2-CD1 3.91Å; F445-V463 HydrophobicContact CE2-CG1 3.94Å; F445-V463 HydrophobicContact CZ-CG1 4.08Å
446P81Confident86Confident11 Ų1115.5 Ų15.57%0.07111%0.106CC..THydrogen-bonded Turntrans-63.2-17.8-176.69.9-17.3000113.7I33 A35 T46 Q111 W444I33-P446 HydrophobicContact CG1-CG 4.33Å; A35-P446 HydrophobicContact CB-CB 3.73Å; A35-P446 HydrophobicContact CB-CG 3.58Å; T46-P446 HydrophobicContact CG2-CG 4.35Å; Q111-P446 HydrophobicContact CB-CB 4.16Å; W444-P446 WeakPolarHBondContact O-CD 3.2Å
447N75.7Confident87.6Confident44 Ų4417.5 Ų17.524%0.23510%0.101CC..THydrogen-bonded Turntrans-96109.7178.4-68.8-18000111.7A35 V44 T46 F445 G449 H450A35-N447 WeakPolarHBondContact CB-OD1 3.35Å; V44-N447 WeakPolarHBondContact CG1-ND2 3.28Å; T46-N447 PolarHBondContact OG1-ND2 3.26Å; F445-N447 PolarHBondContact O-N 3.4Å; N447-G449 PolarHBondContact O-N 2.81Å; N447-H450 PolarHBondContact O-CE1 2.78Å
448G73.7Confident88.7Confident47 Ų4720 Ų2049%0.48511%0.112SC..THydrogen-bonded Turntrans78.57.6158.500000117.6H450G448-H450 PolarHBondContact O-N 3.23Å; G448-H450 PolarHBondContact O-ND1 2.82Å
449G80.8Confident89Confident9 Ų918.7 Ų18.79%0.09310%0.103CC..THydrogen-bonded Turntrans5719.6168.700000116.7W444 N447W444-G449 VanDerWaalsContact CZ3-O 3.31Å; W444-G449 WeakPolarHBondContact CZ3-O 3.4Å; N447-G449 PolarHBondContact O-N 2.81Å
450H86.5Confident88.9Confident69 Ų6918.8 Ų18.832%0.31910%0.104SC..  trans-113.76.8-177.560-80.4000111.8N447 G448 C465 Q466N447-H450 PolarHBondContact O-CE1 2.78Å; G448-H450 PolarHBondContact O-N 3.23Å; G448-H450 PolarHBondContact O-ND1 2.82Å; H450-C465 CarbonylContact O-C 3.59Å; H450-C465 WeakPolarHBondContact O-CA 3.47Å; H450-Q466 HydrophobicContact CB-CB 3.97Å; H450-Q466 WeakPolarHBondContact O-CB 3.15Å; H450-Q466 PolarHBondContact O-N 2.78Å
451K89.5Confident89Confident9 Ų917.8 Ų17.84%0.03910%0.099CC..EExtended strand (participates in β ladder)trans-139.1140.5175.8-55.4-175.9-176.5-170.80110.4D79 F445 W464 C465D79-K451 IonicContact OD1-NZ 3.47Å; D79-K451 IonicContact OD2-NZ 3.85Å; D79-K451 PolarHBondContact OD2-NZ 2.9Å; F445-K451 HydrophobicContact CB-CB 3.87Å; F445-K451 HydrophobicContact CD1-CB 4.32Å; F445-K451 HydrophobicContact CD1-CD 4.41Å; F445-K451 HydrophobicContact CD2-CB 3.5Å; F445-K451 HydrophobicContact CE2-CB 4.04Å; F445-K451 HydrophobicContact CG-CB 3.64Å; F445-K451 PolarHBondContact N-O 3.05Å; K451-W464 WeakPolarHBondContact CA-O 3.2Å; K451-C465 HydrophobicContact CG-CB 4.3Å
452V93.3Very high88.8Confident0 Ų017.6 Ų17.60%010%0.098CC..EExtended strand (participates in β ladder)trans-134.8150.6176-62.40000109L395 L403 I405 L429 H443 W444 V463 W464 W472L395-V452 HydrophobicContact CD1-CB 4.45Å; L395-V452 HydrophobicContact CD1-CG1 4.11Å; L395-V452 HydrophobicContact CD2-CB 3.96Å; L395-V452 HydrophobicContact CD2-CG1 3.85Å; L403-V452 HydrophobicContact CD2-CG2 3.98Å; I405-V452 HydrophobicContact CD1-CG1 4.5Å; L429-V452 HydrophobicContact CD1-CG2 3.94Å; H443-V452 WeakPolarHBondContact O-CA 3.21Å; W444-V452 HydrophobicContact CD2-CG1 3.81Å; W444-V452 HydrophobicContact CE3-CG1 3.42Å; W444-V452 VanDerWaalsContact CE3-CG1 3.42Å; W444-V452 HydrophobicContact CH2-CG1 4.1Å; W444-V452 HydrophobicContact CZ2-CG1 4.44Å; W444-V452 HydrophobicContact CZ3-CG1 3.57Å; V452-V463 WeakPolarHBondContact O-CA 3.34Å; V452-W464 HydrophobicContact CG2-CB 4.1Å; V452-W464 HydrophobicContact CG2-CE3 4.38Å; V452-W464 PolarHBondContact N-O 2.86Å; V452-W464 PolarHBondContact O-N 3.26Å; V452-W472 HydrophobicContact CB-CZ3 4.49Å; V452-W472 HydrophobicContact CG1-CH2 4.11Å; V452-W472 HydrophobicContact CG1-CZ3 4.17Å; V452-W472 HydrophobicContact CG2-CE3 4.29Å; V452-W472 HydrophobicContact CG2-CH2 4.48Å; V452-W472 HydrophobicContact CG2-CZ3 3.82Å
453F93.1Very high88.6Confident0 Ų017.8 Ų17.80%010%0.099CC..EExtended strand (participates in β ladder)trans-129.9157.1167.378-95.5000111I33 L48 F81 C442 H443 F445 I461 S462 V463I33-F453 HydrophobicContact CB-CE1 3.99Å; I33-F453 HydrophobicContact CB-CZ 4.44Å; I33-F453 HydrophobicContact CD1-CD1 4.05Å; I33-F453 HydrophobicContact CD1-CE1 3.54Å; I33-F453 HydrophobicContact CG1-CE1 4.36Å; I33-F453 HydrophobicContact CG2-CE1 4.16Å; L48-F453 HydrophobicContact CD1-CE1 4.18Å; L48-F453 HydrophobicContact CD1-CE2 4.06Å; L48-F453 HydrophobicContact CD1-CZ 3.51Å; L48-F453 HydrophobicContact CD2-CE1 4.45Å; L48-F453 HydrophobicContact CD2-CE2 4.25Å; L48-F453 HydrophobicContact CD2-CZ 4.16Å; L48-F453 HydrophobicContact CG-CZ 4.41Å; F81-F453 HydrophobicContact CE2-CB 4.43Å; F81-F453 HydrophobicContact CE2-CD1 4.05Å; F81-F453 HydrophobicContact CE2-CG 4.3Å; F81-F453 HydrophobicContact CZ-CD1 4.42Å; C442-F453 CarbonylContact C-O 3.45Å; C442-F453 WeakPolarHBondContact CA-O 3.4Å; H443-F453 HydrophobicContact CB-CD1 3.95Å; H443-F453 HydrophobicContact CB-CE1 3.33Å; H443-F453 HydrophobicContact CB-CE2 4.11Å; H443-F453 HydrophobicContact CB-CZ 3.41Å; H443-F453 VanDerWaalsContact CB-CZ 3.41Å; H443-F453 AromaticContact CD2-CE2 3.69Å; H443-F453 AromaticContact CD2-CZ 3.49Å; H443-F453 VanDerWaalsContact CD2-CZ 3.49Å; H443-F453 WeakPolarHBondContact CD2-CZ 3.33Å; H443-F453 AromaticContact CG-CE1 3.97Å; H443-F453 AromaticContact CG-CZ 3.53Å; H443-F453 PolarHBondContact N-O 2.82Å; H443-F453 PolarHBondContact O-N 3.08Å; F445-F453 HydrophobicContact CD2-CD1 4.26Å; F445-F453 HydrophobicContact CE2-CB 4.12Å; F445-F453 AromaticContact CE2-CD1 3.91Å; F445-F453 HydrophobicContact CE2-CD1 3.91Å; F453-I461 HydrophobicContact CB-CG2 4.14Å; F453-I461 HydrophobicContact CD2-CG2 3.56Å; F453-I461 HydrophobicContact CE2-CG2 4.32Å; F453-I461 HydrophobicContact CG-CG2 4.13Å; F453-S462 CarbonylContact C-O 3.53Å; F453-S462 WeakPolarHBondContact CA-O 3.48Å; F453-S462 WeakPolarHBondContact CB-O 3.48Å; F453-V463 HydrophobicContact CB-CG2 3.89Å
454V93.7Very high88.3Confident0 Ų018.1 Ų18.10%010%0.1CC..EExtended strand (participates in β ladder)trans-134.7146.9173.280.60000108.5C397 L403 L439 D441 C442 I461 S462 W464C397-V454 HydrophobicContact CB-CG2 4.15Å; L403-V454 HydrophobicContact CD1-CG2 4.47Å; L439-V454 HydrophobicContact CB-CG2 3.8Å; L439-V454 HydrophobicContact CD1-CG2 4.07Å; L439-V454 HydrophobicContact CD2-CB 4.39Å; L439-V454 HydrophobicContact CD2-CG1 3.63Å; L439-V454 HydrophobicContact CD2-CG2 3.8Å; L439-V454 HydrophobicContact CG-CG2 4.07Å; D441-V454 WeakPolarHBondContact O-CA 3.25Å; D441-V454 WeakPolarHBondContact O-CG2 3.29Å; C442-V454 HydrophobicContact CB-CG2 4.07Å; V454-I461 CarbonylContact O-C 3.5Å; V454-I461 WeakPolarHBondContact O-CA 3.39Å; V454-S462 PolarHBondContact N-O 2.99Å; V454-S462 PolarHBondContact O-N 2.91Å; V454-W464 HydrophobicContact CB-CZ3 4.08Å; V454-W464 HydrophobicContact CG1-CH2 3.62Å; V454-W464 HydrophobicContact CG1-CZ3 3.44Å; V454-W464 VanDerWaalsContact CG1-CZ3 3.44Å
455H92.9Very high88.1Confident0 Ų017.6 Ų17.60%010%0.098CC..EExtended strand (participates in β ladder)trans-108.2147.5165.372.8-94.5000112.6I24 F27 S31 M440 D441 S460 I461I24-H455 HydrophobicContact CD1-CB 4.16Å; I24-H455 HydrophobicContact CG2-CB 3.73Å; F27-H455 PolarHBondContact O-NE2 3.36Å; S31-H455 PolarHBondContact OG-CE1 2.76Å; S31-H455 PolarHBondContact OG-ND1 2.75Å; M440-H455 WeakPolarHBondContact CB-NE2 3.43Å; M440-H455 PolarHBondContact N-O 3.04Å; D441-H455 WeakPolarHBondContact CB-CE1 3.29Å; D441-H455 PolarHBondContact O-N 2.86Å; H455-S460 CarbonylContact C-O 3.49Å; H455-S460 VanDerWaalsContact CA-O 3.25Å; H455-S460 WeakPolarHBondContact CA-O 3.34Å; H455-I461 HydrophobicContact CB-CG1 4.07Å
456T90.9Very high88Confident0 Ų018.5 Ų18.50%010%0.103CC..EExtended strand (participates in β ladder)trans-101.3163.6-174.668.80000111.3L437 S438 L439 Q458 G459 S460L437-T456 HydrophobicContact CB-CG2 4.36Å; L437-T456 HydrophobicContact CD1-CG2 4.26Å; L437-T456 HydrophobicContact CD2-CG2 4.2Å; S438-T456 CarbonylContact O-C 3.48Å; S438-T456 WeakPolarHBondContact O-CA 3.25Å; L439-T456 HydrophobicContact CD2-CG2 4.21Å; T456-Q458 PolarHBondContact O-N 3.1Å; T456-Q458 PolarHBondContact OG1-N 2.56Å; T456-G459 PolarHBondContact O-N 3.16Å; T456-G459 VanDerWaalsContact O-N 3.1Å; T456-G459 PolarHBondContact OG1-N 3.4Å; T456-S460 WeakPolarHBondContact CG2-OG 3.28Å; T456-S460 PolarHBondContact N-O 2.84Å; T456-S460 PolarHBondContact OG1-N 2.83Å; T456-S460 VanDerWaalsContact OG1-N 3.09Å; T456-S460 PolarHBondContact OG1-O 2.87Å; T456-S460 PolarHBondContact OG1-OG 2.83Å
457F88.6Confident88.1Confident92 Ų9218.7 Ų18.740%0.40410%0.104SC..THydrogen-bonded Turntrans-58.9-31.5173.2-173.6-94.1000112.9H26 S438 M440 G459H26-F457 HydrophobicContact CB-CD2 3.92Å; H26-F457 HydrophobicContact CB-CE2 3.92Å; H26-F457 HydrophobicContact CB-CG 4.45Å; H26-F457 HydrophobicContact CB-CZ 4.46Å; S438-F457 PolarHBondContact O-N 3.02Å; M440-F457 HydrophobicContact CG-CB 4.15Å; M440-F457 HydrophobicContact CG-CD2 4.5Å; M440-F457 HydrophobicContact SD-CB 4.31Å; M440-F457 HydrophobicContact SD-CD2 3.86Å; F457-G459 PolarHBondContact O-N 2.81Å
458Q86.9Confident88.2Confident55 Ų5523.6 Ų23.626%0.25713%0.13SC..THydrogen-bonded Turntrans-89.418.7178-145.975.54.800113.1L437 T456 S460 V482L437-Q458 HydrophobicContact CD2-CB 3.28Å; L437-Q458 HydrophobicContact CD2-CG 4.41Å; T456-Q458 PolarHBondContact O-N 3.1Å; T456-Q458 PolarHBondContact OG1-N 2.56Å; Q458-S460 PolarHBondContact O-N 3.43Å; Q458-V482 WeakPolarHBondContact O-CG2 3.23Å
459G90.2Very high88.5Confident0 Ų029.3 Ų29.30%014%0.142CC..SBendtrans77.612.6167.200000115.9G23 I24 T456 F457G23-G459 VanDerWaalsContact CA-O 3.29Å; G23-G459 WeakPolarHBondContact CA-O 3.4Å; I24-G459 PolarHBondContact N-O 3.37Å; I24-G459 VanDerWaalsContact O-CA 3.23Å; I24-G459 WeakPolarHBondContact O-CA 3.22Å; T456-G459 PolarHBondContact O-N 3.16Å; T456-G459 VanDerWaalsContact O-N 3.1Å; T456-G459 PolarHBondContact OG1-N 3.4Å; F457-G459 PolarHBondContact O-N 2.81Å
460S91.8Very high88.5Confident2 Ų234.1 Ų34.11%0.01417%0.166CC..  trans-87.9149.8171.359.60000111.3H455 T456 Q458 L478 E669H455-S460 CarbonylContact C-O 3.49Å; H455-S460 VanDerWaalsContact CA-O 3.25Å; H455-S460 WeakPolarHBondContact CA-O 3.34Å; T456-S460 WeakPolarHBondContact CG2-OG 3.28Å; T456-S460 PolarHBondContact N-O 2.84Å; T456-S460 PolarHBondContact OG1-N 2.83Å; T456-S460 VanDerWaalsContact OG1-N 3.09Å; T456-S460 PolarHBondContact OG1-O 2.87Å; T456-S460 PolarHBondContact OG1-OG 2.83Å; Q458-S460 PolarHBondContact O-N 3.43Å; S460-L478 CarbonylContact C-O 3.36Å; S460-L478 WeakPolarHBondContact CA-O 3.34Å; S460-E669 WeakPolarHBondContact CB-OE2 3.46Å; S460-E669 WeakPolarHBondContact OG-CG 3.34Å
461I93.1Very high88.4Confident1 Ų137.3 Ų37.31%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-115.6112.4172.5-51-174.1000107.9I24 L48 F50 F453 V454 H455 P477 L478I24-I461 HydrophobicContact CG2-CG1 4.2Å; L48-I461 HydrophobicContact CD2-CD1 3.89Å; L48-I461 HydrophobicContact CD2-CG2 4.44Å; F50-I461 HydrophobicContact CD1-CD1 3.92Å; F50-I461 HydrophobicContact CE1-CD1 3.94Å; F50-I461 HydrophobicContact CG-CD1 4.38Å; F50-I461 HydrophobicContact CZ-CD1 4.45Å; F453-I461 HydrophobicContact CB-CG2 4.14Å; F453-I461 HydrophobicContact CD2-CG2 3.56Å; F453-I461 HydrophobicContact CE2-CG2 4.32Å; F453-I461 HydrophobicContact CG-CG2 4.13Å; V454-I461 CarbonylContact O-C 3.5Å; V454-I461 WeakPolarHBondContact O-CA 3.39Å; H455-I461 HydrophobicContact CB-CG1 4.07Å; I461-P477 CarbonylContact O-C 3.53Å; I461-P477 WeakPolarHBondContact O-CA 3.48Å; I461-P477 WeakPolarHBondContact O-CB 3.4Å; I461-L478 HydrophobicContact CB-CB 4.11Å; I461-L478 HydrophobicContact CD1-CD2 4.02Å; I461-L478 PolarHBondContact N-O 2.72Å; I461-L478 PolarHBondContact O-N 2.87Å
462S90.9Very high88.3Confident6 Ų638.4 Ų38.44%0.04218%0.183CC..EExtended strand (participates in β ladder)trans-99.3140.6177.5-62.50000110.3H431 F453 V454H431-S462 PolarHBondContact CE1-OG 3.09Å; H431-S462 WeakPolarHBondContact NE2-CB 3.35Å; H431-S462 PolarHBondContact NE2-OG 3.42Å; F453-S462 CarbonylContact C-O 3.53Å; F453-S462 WeakPolarHBondContact CA-O 3.48Å; F453-S462 WeakPolarHBondContact CB-O 3.48Å; V454-S462 PolarHBondContact N-O 2.99Å; V454-S462 PolarHBondContact O-N 2.91Å
463V90.3Very high88Confident3 Ų341.2 Ų41.22%0.01820%0.198CC..EExtended strand (participates in β ladder)trans-121.8138.8-177.1179.60000108.4F81 F445 V452 F453 P474 A475F81-V463 HydrophobicContact CD2-CG2 3.86Å; F81-V463 HydrophobicContact CE2-CG2 4.09Å; F445-V463 HydrophobicContact CE2-CG1 3.94Å; F445-V463 HydrophobicContact CZ-CG1 4.08Å; V452-V463 WeakPolarHBondContact O-CA 3.34Å; F453-V463 HydrophobicContact CB-CG2 3.89Å; V463-P474 WeakPolarHBondContact O-CA 3.32Å; V463-A475 HydrophobicContact CB-CB 4.12Å; V463-A475 HydrophobicContact CG1-CB 4.2Å; V463-A475 PolarHBondContact O-N 2.89Å
464W89.5Confident87.6Confident15 Ų1543.7 Ų43.76%0.05721%0.213CC..EExtended strand (participates in β ladder)trans-123.2139.7168.8-64.5-99.7000110.1L403 L429 H431 K451 V452 V454 W472 L473L403-W464 HydrophobicContact CD2-CE3 3.9Å; L403-W464 HydrophobicContact CD2-CZ3 3.81Å; L429-W464 HydrophobicContact CB-CD2 4.48Å; L429-W464 HydrophobicContact CD1-CB 3.9Å; L429-W464 HydrophobicContact CD1-CD2 4.29Å; L429-W464 HydrophobicContact CD1-CG 3.94Å; H431-W464 AromaticContact CE1-CH2 3.74Å; H431-W464 AromaticContact NE2-CH2 3.91Å; K451-W464 WeakPolarHBondContact CA-O 3.2Å; V452-W464 HydrophobicContact CG2-CB 4.1Å; V452-W464 HydrophobicContact CG2-CE3 4.38Å; V452-W464 PolarHBondContact N-O 2.86Å; V452-W464 PolarHBondContact O-N 3.26Å; V454-W464 HydrophobicContact CB-CZ3 4.08Å; V454-W464 HydrophobicContact CG1-CH2 3.62Å; V454-W464 HydrophobicContact CG1-CZ3 3.44Å; V454-W464 VanDerWaalsContact CG1-CZ3 3.44Å; W464-W472 HydrophobicContact CB-CE3 3.91Å; W464-L473 CarbonylContact C-O 3.5Å; W464-L473 WeakPolarHBondContact CA-O 3.39Å
465C88.5Confident87.1Confident1 Ų143.8 Ų43.81%0.00721%0.214CC..EExtended strand (participates in β ladder)trans-117.3131.6178.4-63.80000109.3H450 K451 W472 L473H450-C465 CarbonylContact O-C 3.59Å; H450-C465 WeakPolarHBondContact O-CA 3.47Å; K451-C465 HydrophobicContact CG-CB 4.3Å; C465-W472 WeakPolarHBondContact O-CA 3.46Å; C465-L473 PolarHBondContact N-O 2.98Å; C465-L473 PolarHBondContact O-N 2.8Å
466Q87.7Confident86.7Confident25 Ų2544.4 Ų44.412%0.11722%0.218CC..EExtended strand (participates in β ladder)trans-74.6129.9170.7-160.4178.217.800109.1H450 D470 W472H450-Q466 HydrophobicContact CB-CB 3.97Å; H450-Q466 WeakPolarHBondContact O-CB 3.15Å; H450-Q466 PolarHBondContact O-N 2.78Å; Q466-D470 PolarHBondContact NE2-OD1 3.43Å; Q466-W472 HydrophobicContact CB-CD2 4.05Å; Q466-W472 HydrophobicContact CB-CE3 4.12Å; Q466-W472 HydrophobicContact CB-CH2 3.99Å; Q466-W472 HydrophobicContact CB-CZ2 3.89Å; Q466-W472 HydrophobicContact CB-CZ3 4.1Å; Q466-W472 HydrophobicContact CG-CD2 4.32Å; Q466-W472 HydrophobicContact CG-CZ2 4.1Å
467S83.3Confident86.6Confident14 Ų1444.8 Ų44.810%0.09822%0.22CC..  trans-82.8165.2173.866.30000111.5K469 D470 F471S467-K469 PolarHBondContact O-N 3.41Å; S467-D470 PolarHBondContact O-N 2.97Å; S467-F471 WeakPolarHBondContact CB-O 3.47Å; S467-F471 PolarHBondContact N-O 3.26Å; S467-F471 WeakPolarHBondContact OG-CB 3.47Å; S467-F471 PolarHBondContact OG-N 2.96Å; S467-F471 VanDerWaalsContact OG-N 3.14Å; S467-F471 PolarHBondContact OG-O 2.95Å
468D77.2Confident86.7Confident147 Ų14741.3 Ų41.379%0.78621%0.206SC*.THydrogen-bonded Turntrans-58.9-18.8175.5-55.8-27.7000113.7
469K80.1Confident87Confident168 Ų16839 Ų3973%0.7320%0.195SC*.THydrogen-bonded Turntrans-97.818.2177.1-64.3-179.7-177.9173.30112.7S467 F471S467-K469 PolarHBondContact O-N 3.41Å; K469-F471 HydrophobicContact CB-CD2 3.67Å; K469-F471 HydrophobicContact CB-CE2 3.8Å; K469-F471 HydrophobicContact CD-CE2 4.47Å; K469-F471 WeakPolarHBondContact O-CD2 3.46Å; K469-F471 PolarHBondContact O-N 3.25Å; K469-F471 VanDerWaalsContact O-N 3.11Å
470D80.9Confident87.1Confident109 Ų10939 Ų3958%0.58320%0.195SC*.SBendtrans63.84.9-177.9-84.3-29.7000116.4Q466 S467Q466-D470 PolarHBondContact NE2-OD1 3.43Å; S467-D470 PolarHBondContact O-N 2.97Å
471F84.4Confident87.3Confident137 Ų13739 Ų3960%0.60120%0.195SC*.  trans-77.9142.7170.7-58.3-72.3000111.4S467 K469S467-F471 WeakPolarHBondContact CB-O 3.47Å; S467-F471 PolarHBondContact N-O 3.26Å; S467-F471 WeakPolarHBondContact OG-CB 3.47Å; S467-F471 PolarHBondContact OG-N 2.96Å; S467-F471 VanDerWaalsContact OG-N 3.14Å; S467-F471 PolarHBondContact OG-O 2.95Å; K469-F471 HydrophobicContact CB-CD2 3.67Å; K469-F471 HydrophobicContact CB-CE2 3.8Å; K469-F471 HydrophobicContact CD-CE2 4.47Å; K469-F471 WeakPolarHBondContact O-CD2 3.46Å; K469-F471 PolarHBondContact O-N 3.25Å; K469-F471 VanDerWaalsContact O-N 3.11Å
472W88.2Confident87.2Confident32 Ų3240.8 Ų40.812%0.12121%0.206CC..EExtended strand (participates in β ladder)trans-94129.2173.5-7084.4000110.6I405 L429 W444 V452 W464 C465 Q466I405-W472 HydrophobicContact CD1-CD2 4.26Å; I405-W472 HydrophobicContact CD1-CH2 3.68Å; I405-W472 HydrophobicContact CD1-CZ2 3.23Å; I405-W472 HydrophobicContact CD1-CZ3 4.35Å; L429-W472 HydrophobicContact CD1-CB 4.27Å; L429-W472 HydrophobicContact CD1-CD2 4.01Å; L429-W472 HydrophobicContact CD1-CE3 4Å; L429-W472 HydrophobicContact CD1-CG 4.13Å; L429-W472 HydrophobicContact CD2-CB 3.39Å; L429-W472 HydrophobicContact CD2-CG 3.78Å; L429-W472 HydrophobicContact CG-CB 4.47Å; W444-W472 HydrophobicContact CZ3-CH2 4.14Å; V452-W472 HydrophobicContact CB-CZ3 4.49Å; V452-W472 HydrophobicContact CG1-CH2 4.11Å; V452-W472 HydrophobicContact CG1-CZ3 4.17Å; V452-W472 HydrophobicContact CG2-CE3 4.29Å; V452-W472 HydrophobicContact CG2-CH2 4.48Å; V452-W472 HydrophobicContact CG2-CZ3 3.82Å; W464-W472 HydrophobicContact CB-CE3 3.91Å; C465-W472 WeakPolarHBondContact O-CA 3.46Å; Q466-W472 HydrophobicContact CB-CD2 4.05Å; Q466-W472 HydrophobicContact CB-CE3 4.12Å; Q466-W472 HydrophobicContact CB-CH2 3.99Å; Q466-W472 HydrophobicContact CB-CZ2 3.89Å; Q466-W472 HydrophobicContact CB-CZ3 4.1Å; Q466-W472 HydrophobicContact CG-CD2 4.32Å; Q466-W472 HydrophobicContact CG-CZ2 4.1Å
473L86.5Confident87.3Confident59 Ų5941.8 Ų41.831%0.30922%0.217SC..EExtended strand (participates in β ladder)trans-119.6135.8-179.7-65.5171.9000110.1T74 W464 C465T74-L473 HydrophobicContact CG2-CD1 3.65Å; W464-L473 CarbonylContact C-O 3.5Å; W464-L473 WeakPolarHBondContact CA-O 3.39Å; C465-L473 PolarHBondContact N-O 2.98Å; C465-L473 PolarHBondContact O-N 2.8Å
474P85.1Confident87.6Confident51 Ų5143.2 Ų43.233%0.33123%0.227SC..EExtended strand (participates in β ladder)trans-68.5145.717530.9-34.9000110.5Q78 V463 T668Q78-P474 PolarHBondContact NE2-O 2.76Å; Q78-P474 PolarHBondContact OE1-O 3.43Å; V463-P474 WeakPolarHBondContact O-CA 3.32Å; P474-T668 HydrophobicContact CB-CG2 3.68Å; P474-T668 HydrophobicContact CG-CG2 3.62Å
475A82.2Confident88Confident3 Ų342.5 Ų42.53%0.02522%0.224CC..  trans-109.7176.7171.500000110.9Q78 V463Q78-A475 HydrophobicContact CB-CB 4.07Å; Q78-A475 HydrophobicContact CG-CB 4.3Å; V463-A475 HydrophobicContact CB-CB 4.12Å; V463-A475 HydrophobicContact CG1-CB 4.2Å; V463-A475 PolarHBondContact O-N 2.89Å
476L84.2Confident88.4Confident13 Ų1342.9 Ų42.97%0.06823%0.227CC..PPolyproline II helixtrans-67.2122.5-176.8-163.9134.6000109.7N80 F536 F538 L666 P667N80-L476 WeakPolarHBondContact OD1-CB 3.28Å; N80-L476 PolarHBondContact OD1-N 2.65Å; L476-F536 HydrophobicContact CD1-CE1 4.39Å; L476-F536 HydrophobicContact CD2-CZ 4.36Å; L476-F538 HydrophobicContact CD1-CB 4.46Å; L476-F538 HydrophobicContact CD1-CD2 3.95Å; L476-F538 HydrophobicContact CD1-CE2 4.43Å; L476-F538 HydrophobicContact CD1-CG 4.23Å; L476-F538 HydrophobicContact CD2-CB 3.9Å; L476-L666 HydrophobicContact CD1-CB 4.36Å; L476-L666 HydrophobicContact CD1-CD2 3.6Å; L476-P667 HydrophobicContact CD1-CG 4.29Å
477P88.6Confident88.9Confident8 Ų842 Ų425%0.05222%0.223CC..PPolyproline II helixtrans-73.9153.3-176.232.2-35.7000110.8I461 T479 P667 E669 L672I461-P477 CarbonylContact O-C 3.53Å; I461-P477 WeakPolarHBondContact O-CA 3.48Å; I461-P477 WeakPolarHBondContact O-CB 3.4Å; P477-T479 HydrophobicContact CB-CG2 3.97Å; P477-T479 HydrophobicContact CG-CG2 3.85Å; P477-P667 WeakPolarHBondContact CD-O 3.38Å; P477-E669 HydrophobicContact CB-CB 4.35Å; P477-E669 HydrophobicContact CG-CB 4.36Å; P477-L672 HydrophobicContact CG-CD1 4.21Å
478L91.3Very high89.6Confident19 Ų1941.9 Ų41.910%0.09922%0.221CC..BIsolated β-bridgetrans-85.4126.1161.9-173.775.4000108.3F50 T59 V83 S460 I461F50-L478 HydrophobicContact CE1-CD2 3.56Å; F50-L478 HydrophobicContact CZ-CD2 3.53Å; T59-L478 HydrophobicContact CG2-CD2 3.92Å; V83-L478 HydrophobicContact CG2-CD1 4.16Å; V83-L478 HydrophobicContact CG2-CD2 4.13Å; S460-L478 CarbonylContact C-O 3.36Å; S460-L478 WeakPolarHBondContact CA-O 3.34Å; I461-L478 HydrophobicContact CB-CB 4.11Å; I461-L478 HydrophobicContact CD1-CD2 4.02Å; I461-L478 PolarHBondContact N-O 2.72Å; I461-L478 PolarHBondContact O-N 2.87Å
479T92.7Very high90.5Very high6 Ų635.9 Ų35.94%0.03719%0.191CC..  trans-134.9158.2-175.966.50000111.7S21 V22 P477 E539 E669 L672S21-T479 PolarHBondContact OG-O 3.34Å; V22-T479 PolarHBondContact N-O 2.9Å; V22-T479 CarbonylContact O-C 3.57Å; P477-T479 HydrophobicContact CB-CG2 3.97Å; P477-T479 HydrophobicContact CG-CG2 3.85Å; T479-E539 WeakPolarHBondContact CB-OE2 3.17Å; T479-E539 VanDerWaalsContact OG1-CB 3.29Å; T479-E539 WeakPolarHBondContact OG1-CB 3.39Å; T479-E539 PolarHBondContact OG1-OE2 3.03Å; T479-E669 VanDerWaalsContact CG2-OE2 3.31Å; T479-E669 WeakPolarHBondContact CG2-OE2 3.39Å; T479-L672 HydrophobicContact CG2-CD1 4Å
480G93.8Very high91.2Very high0 Ų028.5 Ų28.50%016%0.158CC..  trans178.9173169.200000111S21 V22 R517S21-G480 WeakPolarHBondContact OG-CA 3.43Å; V22-G480 VanDerWaalsContact C-CA 3.49Å; V22-G480 PolarHBondContact O-N 3.46Å; G480-R517 PolarHBondContact O-NH1 3.04Å; G480-R517 VanDerWaalsContact O-NH1 3.09Å; G480-R517 PolarHBondContact O-NH2 3.3Å
481H95.2Very high91.7Very high2 Ų223.6 Ų23.61%0.00913%0.132CC..  trans-70.2140.3-176-71.7-80.8000112V485 T509 G511 D513 T515 R517H481-V485 HydrophobicContact CB-CG2 3.69Å; H481-V485 VanDerWaalsContact CD2-CG2 3.44Å; H481-V485 WeakPolarHBondContact CD2-CG2 3.23Å; H481-T509 PolarHBondContact NE2-OG1 3.11Å; H481-G511 PolarHBondContact CE1-N 3.38Å; H481-D513 VanDerWaalsContact CA-OD2 3.29Å; H481-D513 WeakPolarHBondContact CA-OD2 3.32Å; H481-D513 IonicContact CE1-OD1 3.56Å; H481-D513 IonicContact CG-OD1 2.78Å; H481-D513 IonicContact CG-OD2 2.85Å; H481-D513 IonicContact ND1-OD1 2.93Å; H481-D513 PolarHBondContact ND1-OD1 3.29Å; H481-D513 IonicContact ND1-OD2 2.66Å; H481-D513 PolarHBondContact ND1-OD2 3.23Å; H481-D513 VanDerWaalsContact ND1-OD2 3.08Å; H481-T515 PolarHBondContact CE1-O 2.79Å; H481-T515 PolarHBondContact CE1-OG1 2.87Å; H481-T515 VanDerWaalsContact CE1-OG1 3.24Å; H481-T515 PolarHBondContact ND1-OG1 2.81Å; H481-R517 PolarHBondContact ND1-NE 3.3Å
482V90.8Very high91.7Very high39 Ų3918.7 Ų18.724%0.23612%0.115CC..SBendtrans-9889.4170.7177.30000109.2Q458 D513Q458-V482 WeakPolarHBondContact O-CG2 3.23Å; V482-D513 HydrophobicContact CB-CB 4.48Å; V482-D513 PolarHBondContact N-OD2 3.44Å; V482-D513 WeakPolarHBondContact O-CB 3.49Å
483G92.4Very high91.1Very high27 Ų2720.6 Ų20.628%0.27813%0.13SC..SBendtrans111.4179.5-176.300000112.9V485 G946G483-V485 PolarHBondContact O-N 3.1Å; G483-G946 WeakPolarHBondContact O-CA 3.36Å
484P97.1Very high90.1Very high33 Ų3319.1 Ų19.121%0.21412%0.121CC..  trans-51.9134.4-168.2-30.235.8000115G511 F512P484-G511 WeakPolarHBondContact O-CA 3.48Å; P484-F512 HydrophobicContact CB-CB 4.32Å; P484-F512 HydrophobicContact CB-CD1 4.49Å; P484-F512 HydrophobicContact CB-CD2 3.88Å; P484-F512 HydrophobicContact CB-CE2 4.37Å; P484-F512 HydrophobicContact CB-CG 3.95Å; P484-F512 HydrophobicContact CG-CD2 3.92Å; P484-F512 HydrophobicContact CG-CG 4.36Å; P484-F512 PolarHBondContact O-N 3.38Å
485V98.3Very high88.6Confident0 Ų020.9 Ų20.90%013%0.133CC..EExtended strand (participates in β ladder)trans-94102.1170-176.90000109.1H481 G483 T509 A510 R920 S942 G943 V948H481-V485 HydrophobicContact CB-CG2 3.69Å; H481-V485 VanDerWaalsContact CD2-CG2 3.44Å; H481-V485 WeakPolarHBondContact CD2-CG2 3.23Å; G483-V485 PolarHBondContact O-N 3.1Å; V485-T509 HydrophobicContact CG1-CG2 4.41Å; V485-A510 CarbonylContact C-O 3.28Å; V485-R920 WeakPolarHBondContact O-CD 3.45Å; V485-S942 PolarHBondContact O-OG 3.09Å; V485-G943 PolarHBondContact N-O 3.49Å; V485-V948 HydrophobicContact CB-CG2 4.46Å; V485-V948 HydrophobicContact CG1-CG2 4.14Å; V485-V948 HydrophobicContact CG2-CG2 3.9Å
486A97.4Very high87.3Confident9 Ų930 Ų307%0.07418%0.175CC..EExtended strand (participates in β ladder)trans-65.6-43.8-170.400000113.5A510 F512 M550 N551A486-A510 PolarHBondContact N-O 3.3Å; A486-F512 HydrophobicContact CB-CD1 3.95Å; A486-F512 HydrophobicContact CB-CE1 3.59Å; A486-M550 WeakPolarHBondContact CB-O 3.26Å; A486-N551 WeakPolarHBondContact CB-O 3.14Å
487D98Very high85.8Confident6 Ų633.5 Ų33.53%0.03219%0.191CC..EExtended strand (participates in β ladder)trans-149.2157.1-172.8-153.4-9.4000111.6A510 I553 R921D487-A510 PolarHBondContact N-O 3.36Å; D487-A510 PolarHBondContact O-N 3.21Å; D487-I553 HydrophobicContact CB-CG2 4.01Å; D487-I553 PolarHBondContact OD2-N 3.01Å; D487-R921 WeakPolarHBondContact OD1-CD 3.22Å; D487-R921 VanDerWaalsContact OD1-CG 3.29Å; D487-R921 WeakPolarHBondContact OD1-CG 3.38Å; D487-R921 IonicContact OD1-CZ 3.98Å; D487-R921 IonicContact OD1-NE 4Å; D487-R921 PolarHBondContact OD1-NE 2.99Å; D487-R921 IonicContact OD1-NH2 3.18Å; D487-R921 PolarHBondContact OD1-NH2 3.28Å; D487-R921 IonicContact OD2-CZ 3.08Å; D487-R921 IonicContact OD2-NE 3.14Å; D487-R921 IonicContact OD2-NH2 3.68Å; D487-R921 PolarHBondContact OD2-NH2 2.86Å
488L97.5Very high83.7Confident11 Ų1138.9 Ų38.96%0.05822%0.219CC..EExtended strand (participates in β ladder)trans-141.3145.1177.377.488.1000110.2V507 L508 T509 R921 A940L488-V507 HydrophobicContact CD1-CG1 4.47Å; L488-L508 CarbonylContact C-O 3.57Å; L488-L508 VanDerWaalsContact CA-O 3.28Å; L488-L508 WeakPolarHBondContact CA-O 3.46Å; L488-T509 HydrophobicContact CB-CG2 4.05Å; L488-R921 HydrophobicContact CB-CB 4.48Å; L488-R921 HydrophobicContact CD2-CB 3.53Å; L488-R921 HydrophobicContact CG-CB 3.65Å; L488-R921 HydrophobicContact CG-CG 4.41Å; L488-A940 HydrophobicContact CD1-CB 3.97Å; L488-A940 HydrophobicContact CD2-CB 4.29Å
489S96.6Very high81.5Confident21 Ų2140.9 Ų40.915%0.14723%0.227CC..EExtended strand (participates in β ladder)trans-144126.5179-175.50000110.7L508 S555S489-L508 PolarHBondContact N-O 3.31Å; S489-L508 PolarHBondContact O-N 3.08Å; S489-S555 PolarHBondContact OG-N 3.43Å
490W94.7Very high79.2Confident13 Ų1346 Ų465%0.04925%0.254CS..EExtended strand (participates in β ladder)trans-69151.5169.7-7198.1000110.9S492 T505 V507 W537 S555 S923 F924 P926 Y938 A940 I950W490-S492 PolarHBondContact O-N 3.01Å; W490-T505 HydrophobicContact CE3-CG2 4.2Å; W490-T505 HydrophobicContact CZ3-CG2 3.81Å; W490-V507 HydrophobicContact CD2-CG2 3.67Å; W490-V507 HydrophobicContact CE3-CG2 3.33Å; W490-V507 HydrophobicContact CH2-CG2 3.49Å; W490-V507 VanDerWaalsContact CH2-CG2 3.49Å; W490-V507 HydrophobicContact CZ2-CG2 3.84Å; W490-V507 HydrophobicContact CZ3-CG2 3.23Å; W490-W537 HydrophobicContact CH2-CH2 4.23Å; W490-W537 HydrophobicContact CZ3-CH2 4.01Å; W490-S555 VanDerWaalsContact O-CB 3.23Å; W490-S555 WeakPolarHBondContact O-CB 3.36Å; W490-S923 PolarHBondContact NE1-O 3.02Å; W490-F924 PolarHBondContact NE1-O 2.88Å; W490-P926 HydrophobicContact CB-CG 4.06Å; W490-Y938 HydrophobicContact CH2-CG 4.39Å; W490-A940 HydrophobicContact CH2-CB 4.42Å; W490-A940 HydrophobicContact CZ2-CB 3.5Å; W490-A940 VanDerWaalsContact CZ2-CB 3.5Å; W490-I950 HydrophobicContact CH2-CG2 4.2Å
491M91.8Very high76.9Confident6 Ų650.6 Ų50.63%0.0328%0.279CS..PPolyproline II helixtrans-54.8124.2168.7-177-170.279.400110.5Y504 Y506 P558 F583M491-Y504 HydrophobicContact CE-CD2 3.85Å; M491-Y504 HydrophobicContact CE-CE2 4.14Å; M491-Y504 WeakPolarHBondContact CE-O 3.15Å; M491-Y506 HydrophobicContact CB-CD1 3.92Å; M491-Y506 HydrophobicContact CB-CD2 3.94Å; M491-Y506 HydrophobicContact CB-CE1 3.82Å; M491-Y506 HydrophobicContact CB-CE2 3.8Å; M491-Y506 HydrophobicContact CB-CG 3.98Å; M491-Y506 WeakPolarHBondContact CB-O 3.29Å; M491-Y506 HydrophobicContact CG-CD1 3.88Å; M491-Y506 HydrophobicContact CG-CE1 3.4Å; M491-Y506 HydrophobicContact CG-CE2 4.13Å; M491-Y506 HydrophobicContact CG-CG 4.44Å; M491-Y506 PolarHBondContact N-O 2.59Å; M491-Y506 HydrophobicContact SD-CD1 3.57Å; M491-Y506 VanDerWaalsContact SD-CD1 3.57Å; M491-Y506 HydrophobicContact SD-CE1 3.38Å; M491-Y506 WeakPolarHBondContact SD-CE1 3.3Å; M491-Y506 HydrophobicContact SD-CG 4.49Å; M491-P558 HydrophobicContact CG-CB 4.21Å; M491-P558 HydrophobicContact CG-CG 4.3Å; M491-P558 HydrophobicContact SD-CB 4.13Å; M491-P558 HydrophobicContact SD-CG 4.4Å; M491-F583 HydrophobicContact SD-CZ 4.21Å
492S84.3Confident74.7Confident34 Ų3455.4 Ų55.424%0.23831%0.305CS..PPolyproline II helixtrans-65.9149.1171.4-60.60000111.1W490 S555 P558W490-S492 PolarHBondContact O-N 3.01Å; S492-S555 PolarHBondContact N-OG 3.05Å; S492-S555 VanDerWaalsContact N-OG 3.15Å; S492-S555 PolarHBondContact OG-O 3.27Å; S492-S555 PolarHBondContact OG-OG 3.42Å; S492-P558 VanDerWaalsContact O-CD 3.28Å; S492-P558 WeakPolarHBondContact O-CD 3.43Å; S492-P558 WeakPolarHBondContact O-CG 3.28Å
493T73.9Confident73.3Confident73 Ų7356.2 Ų56.245%0.44831%0.312SS..PPolyproline II helixtrans-72156.9176.850.90000111.2
494F67.4Low72.3Confident27 Ų2757 Ų5712%0.11831%0.307CS..PPolyproline II helixtrans-64.5134.8170.3-72.8-76.4000109.1E496 Y504 P558 K595 I599F494-E496 PolarHBondContact O-N 2.89Å; F494-Y504 HydrophobicContact CD2-CE2 4.43Å; F494-Y504 HydrophobicContact CE2-CE2 4.28Å; F494-P558 HydrophobicContact CD1-CB 4.37Å; F494-P558 HydrophobicContact CD1-CG 3.72Å; F494-P558 HydrophobicContact CD2-CG 3.88Å; F494-P558 HydrophobicContact CE1-CB 3.69Å; F494-P558 HydrophobicContact CE1-CG 3.55Å; F494-P558 HydrophobicContact CE2-CB 4.02Å; F494-P558 HydrophobicContact CE2-CG 3.72Å; F494-P558 HydrophobicContact CG-CG 3.88Å; F494-P558 HydrophobicContact CZ-CB 3.49Å; F494-P558 VanDerWaalsContact CZ-CB 3.49Å; F494-P558 HydrophobicContact CZ-CG 3.56Å; F494-K595 HydrophobicContact CD2-CD 4.5Å; F494-K595 HydrophobicContact CG-CD 4.38Å; F494-I599 HydrophobicContact CD1-CD1 4.45Å; F494-I599 HydrophobicContact CE1-CD1 3.51Å; F494-I599 HydrophobicContact CZ-CD1 4.05Å
495P53.3Low71.7Confident89 Ų8956.3 Ų56.358%0.57830%0.302SS*.THydrogen-bonded Turntrans-53.7137.5170-19.630000109.1
496E53.9Low71.3Confident193 Ų19356.4 Ų56.490%0.90230%0.303SS*.THydrogen-bonded Turntrans96.4-6.1169.9-51.9-177.8163.800120.2F494F494-E496 PolarHBondContact O-N 2.89Å
497E52.5Low71.2Confident87 Ų8756 Ų5641%0.40730%0.299SS..  trans-134.7121.6-170.6-74.7176.5147.800117.4F499 K595E497-F499 VanDerWaalsContact C-N 3.33Å; E497-F499 HydrophobicContact CB-CD2 3.73Å; E497-F499 HydrophobicContact CB-CE2 3.79Å; E497-F499 HydrophobicContact CB-CG 4.44Å; E497-F499 HydrophobicContact CB-CZ 4.43Å; E497-F499 HydrophobicContact CG-CE2 4.09Å; E497-F499 HydrophobicContact CG-CZ 4.35Å; E497-F499 PolarHBondContact O-N 2.9Å; E497-F499 WeakPolarHBondContact OE1-CZ 3.47Å; E497-F499 WeakPolarHBondContact OE2-CE2 3.28Å; E497-F499 WeakPolarHBondContact OE2-CZ 3.16Å; E497-K595 IonicContact OE2-NZ 3.41Å; E497-K595 PolarHBondContact OE2-NZ 2.92Å
498N46Very low71.2Confident121 Ų12155.7 Ų55.765%0.64730%0.297SS*.  trans-79.476.3158.6-76.6-20.4000109.2
499F44.3Very low71.3Confident62 Ų6255.1 Ų55.127%0.27230%0.295SS..  trans-76.6129.2169-80.3-62.9000111E497 D501 N928E497-F499 VanDerWaalsContact C-N 3.33Å; E497-F499 HydrophobicContact CB-CD2 3.73Å; E497-F499 HydrophobicContact CB-CE2 3.79Å; E497-F499 HydrophobicContact CB-CG 4.44Å; E497-F499 HydrophobicContact CB-CZ 4.43Å; E497-F499 HydrophobicContact CG-CE2 4.09Å; E497-F499 HydrophobicContact CG-CZ 4.35Å; E497-F499 PolarHBondContact O-N 2.9Å; E497-F499 WeakPolarHBondContact OE1-CZ 3.47Å; E497-F499 WeakPolarHBondContact OE2-CE2 3.28Å; E497-F499 WeakPolarHBondContact OE2-CZ 3.16Å; F499-D501 PolarHBondContact O-N 2.9Å; F499-N928 PolarHBondContact O-ND2 3.19Å
500N43.4Very low71.4Confident113 Ų11354.1 Ų54.160%0.60429%0.288SS*.  trans-760.9169.8-82.3-29.9000113.2S930N500-S930 WeakPolarHBondContact OD1-CB 3.17Å
501D45.5Very low71.5Confident96 Ų9653.5 Ų53.551%0.51329%0.285SS..  trans-99.7126.9-171.7-111.22.2000112.5F499F499-D501 PolarHBondContact O-N 2.9Å
502D50.2Low71.7Confident104 Ų10455.8 Ų55.856%0.55630%0.295SS*.  trans-64.4141.2-166.9-75.3-38.2000115T934D502-T934 WeakPolarHBondContact OD1-CG2 3.37Å
503S60.2Low72.1Confident56 Ų5654.7 Ų54.739%0.39229%0.287SS..  trans80.215.8138.175.40000121.4Y587S503-Y587 WeakPolarHBondContact O-CE1 3.46Å
504Y72.8Confident73.1Confident43 Ų4354.5 Ų54.517%0.16928%0.281CS..  trans-89.9117.3166.465.1-92.9000111.6M491 F494 Y587 I592M491-Y504 HydrophobicContact CE-CD2 3.85Å; M491-Y504 HydrophobicContact CE-CE2 4.14Å; M491-Y504 WeakPolarHBondContact CE-O 3.15Å; F494-Y504 HydrophobicContact CD2-CE2 4.43Å; F494-Y504 HydrophobicContact CE2-CE2 4.28Å; Y504-Y587 VanDerWaalsContact CA-CE1 3.45Å; Y504-I592 HydrophobicContact CD1-CD1 3.79Å; Y504-I592 HydrophobicContact CD2-CD1 3.12Å; Y504-I592 HydrophobicContact CD2-CG1 4.47Å; Y504-I592 HydrophobicContact CE1-CD1 4.05Å; Y504-I592 HydrophobicContact CE2-CD1 3.44Å; Y504-I592 VanDerWaalsContact CE2-CD1 3.44Å; Y504-I592 HydrophobicContact CE2-CG1 4.47Å; Y504-I592 HydrophobicContact CG-CD1 3.3Å
505T83Confident74.4Confident19 Ų1953.5 Ų53.512%0.11728%0.277CS..  trans-164.4157.7177.6-1700000109.7W490 W537 Y587W490-T505 HydrophobicContact CE3-CG2 4.2Å; W490-T505 HydrophobicContact CZ3-CG2 3.81Å; T505-W537 HydrophobicContact CG2-CH2 4.32Å; T505-Y587 PolarHBondContact O-OH 3.13Å
506Y91.3Very high76.5Confident1 Ų149.2 Ų49.20%0.00425%0.249CC..EExtended strand (participates in β ladder)trans-135.2162.2168.262-105.2000109.8M491 L508 L518 H519 P558 F583M491-Y506 HydrophobicContact CB-CD1 3.92Å; M491-Y506 HydrophobicContact CB-CD2 3.94Å; M491-Y506 HydrophobicContact CB-CE1 3.82Å; M491-Y506 HydrophobicContact CB-CE2 3.8Å; M491-Y506 HydrophobicContact CB-CG 3.98Å; M491-Y506 WeakPolarHBondContact CB-O 3.29Å; M491-Y506 HydrophobicContact CG-CD1 3.88Å; M491-Y506 HydrophobicContact CG-CE1 3.4Å; M491-Y506 HydrophobicContact CG-CE2 4.13Å; M491-Y506 HydrophobicContact CG-CG 4.44Å; M491-Y506 PolarHBondContact N-O 2.59Å; M491-Y506 HydrophobicContact SD-CD1 3.57Å; M491-Y506 VanDerWaalsContact SD-CD1 3.57Å; M491-Y506 HydrophobicContact SD-CE1 3.38Å; M491-Y506 WeakPolarHBondContact SD-CE1 3.3Å; M491-Y506 HydrophobicContact SD-CG 4.49Å; Y506-L508 HydrophobicContact CD2-CG 4.11Å; Y506-L508 HydrophobicContact CE2-CD1 3.94Å; Y506-L508 HydrophobicContact CE2-CD2 4.4Å; Y506-L508 HydrophobicContact CE2-CG 3.79Å; Y506-L518 HydrophobicContact CD1-CD1 4.29Å; Y506-L518 HydrophobicContact CD1-CD2 4.46Å; Y506-L518 HydrophobicContact CD2-CD1 3.71Å; Y506-L518 HydrophobicContact CD2-CD2 4.22Å; Y506-L518 HydrophobicContact CD2-CG 3.68Å; Y506-L518 HydrophobicContact CE1-CD1 4.38Å; Y506-L518 HydrophobicContact CE2-CD1 3.85Å; Y506-L518 HydrophobicContact CE2-CG 4.3Å; Y506-L518 HydrophobicContact CG-CD1 3.96Å; Y506-L518 HydrophobicContact CG-CD2 3.88Å; Y506-L518 HydrophobicContact CG-CG 3.87Å; Y506-H519 CarbonylContact C-O 3.53Å; Y506-H519 WeakPolarHBondContact CA-O 3.28Å; Y506-H519 VanDerWaalsContact CB-O 3.29Å; Y506-H519 WeakPolarHBondContact CB-O 3.37Å; Y506-P558 PolarHBondContact OH-O 2.66Å; Y506-F583 AromaticContact CD1-CE2 3.74Å; Y506-F583 HydrophobicContact CD1-CE2 3.74Å; Y506-F583 HydrophobicContact CD1-CZ 4.06Å
507V95.7Very high78.5Confident0 Ų040.1 Ų40.10%021%0.207CC..EExtended strand (participates in β ladder)trans-114.3128.8173.2-177.80000108.6L488 W490 T509 L518 H519 A940 I950L488-V507 HydrophobicContact CD1-CG1 4.47Å; W490-V507 HydrophobicContact CD2-CG2 3.67Å; W490-V507 HydrophobicContact CE3-CG2 3.33Å; W490-V507 HydrophobicContact CH2-CG2 3.49Å; W490-V507 VanDerWaalsContact CH2-CG2 3.49Å; W490-V507 HydrophobicContact CZ2-CG2 3.84Å; W490-V507 HydrophobicContact CZ3-CG2 3.23Å; V507-T509 HydrophobicContact CG1-CG2 4.02Å; V507-L518 WeakPolarHBondContact O-CA 3.41Å; V507-H519 HydrophobicContact CB-CB 4.49Å; V507-H519 PolarHBondContact N-O 2.93Å; V507-H519 PolarHBondContact O-N 3.13Å; V507-A940 HydrophobicContact CG1-CB 4.49Å; V507-A940 HydrophobicContact CG2-CB 4.44Å; V507-I950 HydrophobicContact CG2-CD1 4.06Å
508L97.8Very high80.6Confident0 Ų036 Ų360%019%0.187CC..EExtended strand (participates in β ladder)trans-92.5138.4166.8-72166.6000109.8L488 S489 Y506 V516 R517 L518 P543 I553 Y561L488-L508 CarbonylContact C-O 3.57Å; L488-L508 VanDerWaalsContact CA-O 3.28Å; L488-L508 WeakPolarHBondContact CA-O 3.46Å; S489-L508 PolarHBondContact N-O 3.31Å; S489-L508 PolarHBondContact O-N 3.08Å; Y506-L508 HydrophobicContact CD2-CG 4.11Å; Y506-L508 HydrophobicContact CE2-CD1 3.94Å; Y506-L508 HydrophobicContact CE2-CD2 4.4Å; Y506-L508 HydrophobicContact CE2-CG 3.79Å; L508-V516 HydrophobicContact CD2-CG1 3.99Å; L508-R517 CarbonylContact C-O 3.52Å; L508-R517 VanDerWaalsContact CA-O 3.3Å; L508-R517 WeakPolarHBondContact CA-O 3.45Å; L508-L518 HydrophobicContact CD2-CB 3.9Å; L508-L518 HydrophobicContact CD2-CD1 3.99Å; L508-L518 HydrophobicContact CD2-CG 4.08Å; L508-P543 HydrophobicContact CD2-CG 4.13Å; L508-I553 HydrophobicContact CB-CD1 3.72Å; L508-I553 HydrophobicContact CB-CG1 4.35Å; L508-I553 HydrophobicContact CD1-CD1 4.31Å; L508-I553 HydrophobicContact CG-CD1 4.42Å; L508-Y561 HydrophobicContact CD1-CD1 4.21Å; L508-Y561 HydrophobicContact CD1-CG 3.97Å
509T98.5Very high82.9Confident0 Ų030.2 Ų30.20%016%0.156CC..EExtended strand (participates in β ladder)trans-131.6141.4174.956.90000110.7H481 V485 L488 V507 V516 R517 H519 V948H481-T509 PolarHBondContact NE2-OG1 3.11Å; V485-T509 HydrophobicContact CG1-CG2 4.41Å; L488-T509 HydrophobicContact CB-CG2 4.05Å; V507-T509 HydrophobicContact CG1-CG2 4.02Å; T509-V516 CarbonylContact O-C 3.58Å; T509-V516 VanDerWaalsContact O-CA 3.24Å; T509-V516 WeakPolarHBondContact O-CA 3.32Å; T509-R517 PolarHBondContact N-O 2.91Å; T509-R517 PolarHBondContact O-N 2.85Å; T509-H519 PolarHBondContact OG1-NE2 2.78Å; T509-V948 HydrophobicContact CG2-CG1 3.97Å; T509-V948 HydrophobicContact CG2-CG2 3.88Å
510A98.1Very high85.1Confident0 Ų027.3 Ų27.30%014%0.143CC..EExtended strand (participates in β ladder)trans-116.1124179.700000109.9V485 A486 D487 M550 I553V485-A510 CarbonylContact C-O 3.28Å; A486-A510 PolarHBondContact N-O 3.3Å; D487-A510 PolarHBondContact N-O 3.36Å; D487-A510 PolarHBondContact O-N 3.21Å; A510-M550 HydrophobicContact CB-CB 3.8Å; A510-I553 HydrophobicContact CB-CB 3.93Å; A510-I553 HydrophobicContact CB-CD1 4.46Å; A510-I553 HydrophobicContact CB-CG2 3.95Å
511G97.1Very high87Confident0 Ų022.2 Ų22.20%012%0.117CC..EExtended strand (participates in β ladder)trans-116155.9-174.100000114.6H481 P484 D513 Q514 T515 M550H481-G511 PolarHBondContact CE1-N 3.38Å; P484-G511 WeakPolarHBondContact O-CA 3.48Å; G511-D513 PolarHBondContact O-N 3.06Å; G511-Q514 PolarHBondContact O-N 2.82Å; G511-Q514 VanDerWaalsContact O-N 3.16Å; G511-T515 PolarHBondContact N-O 2.82Å; G511-M550 VanDerWaalsContact O-CB 3.3Å; G511-M550 WeakPolarHBondContact O-CB 3.16Å; G511-M550 WeakPolarHBondContact O-CG 3.01Å; G511-M550 PolarHBondContact O-N 3.15Å; G511-M550 VanDerWaalsContact O-N 3.08Å
512F96Very high88.5Confident53 Ų5318.5 Ų18.523%0.23210%0.096CC..THydrogen-bonded Turntrans-71.2-9.3169.1-75.917.9000111.8P484 A486 Q514 D549 M550P484-F512 HydrophobicContact CB-CB 4.32Å; P484-F512 HydrophobicContact CB-CD1 4.49Å; P484-F512 HydrophobicContact CB-CD2 3.88Å; P484-F512 HydrophobicContact CB-CE2 4.37Å; P484-F512 HydrophobicContact CB-CG 3.95Å; P484-F512 HydrophobicContact CG-CD2 3.92Å; P484-F512 HydrophobicContact CG-CG 4.36Å; P484-F512 PolarHBondContact O-N 3.38Å; A486-F512 HydrophobicContact CB-CD1 3.95Å; A486-F512 HydrophobicContact CB-CE1 3.59Å; F512-Q514 PolarHBondContact O-N 3.06Å; F512-Q514 VanDerWaalsContact O-N 3.13Å; F512-D549 HydrophobicContact CB-CB 4.3Å; F512-D549 HydrophobicContact CD1-CB 4.19Å; F512-D549 HydrophobicContact CG-CB 4.19Å; F512-M550 WeakPolarHBondContact CD1-O 3.26Å; F512-M550 WeakPolarHBondContact CE1-O 3.36Å
513D92.9Very high89.1Confident11 Ų1114.5 Ų14.56%0.0598%0.076CC..THydrogen-bonded Turntrans-73.612.4165.472.4-15.6000113.3H481 V482 G511 T515 R517H481-D513 VanDerWaalsContact CA-OD2 3.29Å; H481-D513 WeakPolarHBondContact CA-OD2 3.32Å; H481-D513 IonicContact CE1-OD1 3.56Å; H481-D513 IonicContact CG-OD1 2.78Å; H481-D513 IonicContact CG-OD2 2.85Å; H481-D513 IonicContact ND1-OD1 2.93Å; H481-D513 PolarHBondContact ND1-OD1 3.29Å; H481-D513 IonicContact ND1-OD2 2.66Å; H481-D513 PolarHBondContact ND1-OD2 3.23Å; H481-D513 VanDerWaalsContact ND1-OD2 3.08Å; V482-D513 HydrophobicContact CB-CB 4.48Å; V482-D513 PolarHBondContact N-OD2 3.44Å; V482-D513 WeakPolarHBondContact O-CB 3.49Å; G511-D513 PolarHBondContact O-N 3.06Å; D513-T515 PolarHBondContact O-N 3.39Å; D513-T515 PolarHBondContact OD1-N 2.87Å; D513-T515 PolarHBondContact OD1-OG1 3.19Å; D513-T515 PolarHBondContact OD2-OG1 2.98Å; D513-T515 VanDerWaalsContact OD2-OG1 3.12Å; D513-R517 IonicContact OD2-CZ 2.58Å; D513-R517 IonicContact OD2-NE 2.74Å; D513-R517 IonicContact OD2-NH2 3.64Å; D513-R517 PolarHBondContact OD2-NH2 2.96Å
514Q94.4Very high89.1Confident69 Ų6915.9 Ų15.932%0.3228%0.079SC..SBendtrans67.222.7175.6-45.2177.8-1.900113.4G511 F512 H546G511-Q514 PolarHBondContact O-N 2.82Å; G511-Q514 VanDerWaalsContact O-N 3.16Å; F512-Q514 PolarHBondContact O-N 3.06Å; F512-Q514 VanDerWaalsContact O-N 3.13Å; Q514-H546 HydrophobicContact CB-CB 4.5Å; Q514-H546 PolarHBondContact O-N 3.07Å; Q514-H546 PolarHBondContact OE1-O 2.8Å
515T94.9Very high88Confident6 Ų617 Ų174%0.0379%0.091CC..EExtended strand (participates in β ladder)trans-119.7150.7-179.269.60000113H481 G511 D513 R517 Q544 I545H481-T515 PolarHBondContact CE1-O 2.79Å; H481-T515 PolarHBondContact CE1-OG1 2.87Å; H481-T515 VanDerWaalsContact CE1-OG1 3.24Å; H481-T515 PolarHBondContact ND1-OG1 2.81Å; G511-T515 PolarHBondContact N-O 2.82Å; D513-T515 PolarHBondContact O-N 3.39Å; D513-T515 PolarHBondContact OD1-N 2.87Å; D513-T515 PolarHBondContact OD1-OG1 3.19Å; D513-T515 PolarHBondContact OD2-OG1 2.98Å; D513-T515 VanDerWaalsContact OD2-OG1 3.12Å; T515-R517 PolarHBondContact OG1-NE 2.88Å; T515-Q544 CarbonylContact C-O 3.59Å; T515-Q544 WeakPolarHBondContact CA-O 3.39Å; T515-I545 HydrophobicContact CG2-CG1 4.4Å
516V97.3Very high86.3Confident0 Ų018.4 Ų18.40%010%0.101CC..EExtended strand (participates in β ladder)trans-107.6128.8158.3174.90000108.1L508 T509 R542 P543 Q544 M550 I553 Y561L508-V516 HydrophobicContact CD2-CG1 3.99Å; T509-V516 CarbonylContact O-C 3.58Å; T509-V516 VanDerWaalsContact O-CA 3.24Å; T509-V516 WeakPolarHBondContact O-CA 3.32Å; V516-R542 CarbonylContact O-C 3.53Å; V516-R542 WeakPolarHBondContact O-CA 3.33Å; V516-R542 WeakPolarHBondContact O-CG 3.29Å; V516-P543 HydrophobicContact CG1-CB 4.42Å; V516-P543 HydrophobicContact CG1-CG 4.46Å; V516-P543 VanDerWaalsContact O-CD 3.24Å; V516-P543 WeakPolarHBondContact O-CD 3.3Å; V516-Q544 HydrophobicContact CB-CB 3.84Å; V516-Q544 HydrophobicContact CG2-CB 3.9Å; V516-Q544 PolarHBondContact N-O 2.75Å; V516-M550 HydrophobicContact CG2-SD 4.22Å; V516-I553 HydrophobicContact CB-CD1 4.27Å; V516-I553 HydrophobicContact CG1-CD1 3.31Å; V516-I553 HydrophobicContact CG2-CD1 3.94Å; V516-Y561 HydrophobicContact CG1-CE2 4.39Å
517R97.2Very high83.9Confident2 Ų226.4 Ų26.41%0.00814%0.144CC..EExtended strand (participates in β ladder)trans-118.2145.8-179.6-59.9-180-173.4-129.88.9110.6G480 H481 L508 T509 D513 T515 E539 R542G480-R517 PolarHBondContact O-NH1 3.04Å; G480-R517 VanDerWaalsContact O-NH1 3.09Å; G480-R517 PolarHBondContact O-NH2 3.3Å; H481-R517 PolarHBondContact ND1-NE 3.3Å; L508-R517 CarbonylContact C-O 3.52Å; L508-R517 VanDerWaalsContact CA-O 3.3Å; L508-R517 WeakPolarHBondContact CA-O 3.45Å; T509-R517 PolarHBondContact N-O 2.91Å; T509-R517 PolarHBondContact O-N 2.85Å; D513-R517 IonicContact OD2-CZ 2.58Å; D513-R517 IonicContact OD2-NE 2.74Å; D513-R517 IonicContact OD2-NH2 3.64Å; D513-R517 PolarHBondContact OD2-NH2 2.96Å; T515-R517 PolarHBondContact OG1-NE 2.88Å; R517-E539 HydrophobicContact CB-CG 4.42Å; R517-E539 IonicContact CZ-OE2 2.87Å; R517-E539 IonicContact NH1-OE1 3.86Å; R517-E539 IonicContact NH1-OE2 3.47Å; R517-E539 PolarHBondContact NH1-OE2 3Å; R517-R542 HydrophobicContact CG-CG 4.31Å
518L96.7Very high81Confident0 Ų032.7 Ų32.70%017%0.173CC..EExtended strand (participates in β ladder)trans-117.8115.8178.5-172.2156.5000109.4Y506 V507 L508 A520 E539 L540 A541 P543 F579 W678Y506-L518 HydrophobicContact CD1-CD1 4.29Å; Y506-L518 HydrophobicContact CD1-CD2 4.46Å; Y506-L518 HydrophobicContact CD2-CD1 3.71Å; Y506-L518 HydrophobicContact CD2-CD2 4.22Å; Y506-L518 HydrophobicContact CD2-CG 3.68Å; Y506-L518 HydrophobicContact CE1-CD1 4.38Å; Y506-L518 HydrophobicContact CE2-CD1 3.85Å; Y506-L518 HydrophobicContact CE2-CG 4.3Å; Y506-L518 HydrophobicContact CG-CD1 3.96Å; Y506-L518 HydrophobicContact CG-CD2 3.88Å; Y506-L518 HydrophobicContact CG-CG 3.87Å; V507-L518 WeakPolarHBondContact O-CA 3.41Å; L508-L518 HydrophobicContact CD2-CB 3.9Å; L508-L518 HydrophobicContact CD2-CD1 3.99Å; L508-L518 HydrophobicContact CD2-CG 4.08Å; L518-A520 HydrophobicContact CD2-CB 4.27Å; L518-E539 CarbonylContact O-C 3.58Å; L518-E539 WeakPolarHBondContact O-CA 3.4Å; L518-L540 HydrophobicContact CD2-CB 3.95Å; L518-L540 HydrophobicContact CD2-CD2 4.23Å; L518-L540 PolarHBondContact O-N 2.99Å; L518-A541 HydrophobicContact CB-CB 4.17Å; L518-A541 WeakPolarHBondContact CB-O 3.37Å; L518-A541 PolarHBondContact N-O 2.97Å; L518-A541 PolarHBondContact O-N 3.16Å; L518-P543 HydrophobicContact CB-CG 4.09Å; L518-P543 HydrophobicContact CD1-CG 4.44Å; L518-F579 HydrophobicContact CD1-CE2 3.64Å; L518-F579 HydrophobicContact CD1-CZ 3.6Å; L518-F579 HydrophobicContact CD2-CE2 3.91Å; L518-F579 HydrophobicContact CD2-CZ 4.16Å; L518-F579 HydrophobicContact CG-CE2 4.42Å; L518-W678 HydrophobicContact CD1-CH2 4.39Å; L518-W678 HydrophobicContact CD1-CZ2 3.93Å
519H94.7Very high77.9Confident0 Ų042 Ų420%022%0.217CC..EExtended strand (participates in β ladder)trans-103.9122.4-179.9-54.9-75.1000110.1Y19 S21 Y506 V507 T509 F538Y19-H519 HydrophobicContact CE1-CB 3.82Å; Y19-H519 AromaticContact CE1-CG 3.71Å; Y19-H519 AromaticContact CE1-ND1 3.46Å; Y19-H519 WeakPolarHBondContact CE1-ND1 3.43Å; Y19-H519 AromaticContact CZ-ND1 3.64Å; Y19-H519 PolarHBondContact OH-ND1 3Å; S21-H519 PolarHBondContact OG-CE1 3.13Å; Y506-H519 CarbonylContact C-O 3.53Å; Y506-H519 WeakPolarHBondContact CA-O 3.28Å; Y506-H519 VanDerWaalsContact CB-O 3.29Å; Y506-H519 WeakPolarHBondContact CB-O 3.37Å; V507-H519 HydrophobicContact CB-CB 4.49Å; V507-H519 PolarHBondContact N-O 2.93Å; V507-H519 PolarHBondContact O-N 3.13Å; T509-H519 PolarHBondContact OG1-NE2 2.78Å; H519-F538 WeakPolarHBondContact CA-O 3.1Å
520A90.1Very high74.9Confident0 Ų049 Ų490%025%0.247CC..EExtended strand (participates in β ladder)trans-122.1158.7-179.200000111.1L518 W537 F538 L540 L586L518-A520 HydrophobicContact CD2-CB 4.27Å; A520-W537 VanDerWaalsContact C-CE3 3.48Å; A520-W537 VanDerWaalsContact O-CA 3.29Å; A520-W537 WeakPolarHBondContact O-CA 3.39Å; A520-F538 PolarHBondContact N-O 3.11Å; A520-F538 PolarHBondContact O-N 3.32Å; A520-L540 HydrophobicContact CB-CB 3.93Å; A520-L540 HydrophobicContact CB-CD2 3.87Å; A520-L586 HydrophobicContact CB-CD2 3.91Å
521C83.6Confident71.9Confident7 Ų758.3 Ų58.35%0.04729%0.291CS..EExtended strand (participates in β ladder)trans-111128.2177-173.20000110.2P523 W537 Y587C521-P523 VanDerWaalsContact O-CD 3.31Å; C521-P523 WeakPolarHBondContact O-CD 3.41Å; C521-W537 HydrophobicContact CB-CD2 3.6Å; C521-W537 VanDerWaalsContact CB-CE2 3.45Å; C521-W537 HydrophobicContact CB-CE3 3.9Å; C521-W537 HydrophobicContact CB-CG 4.15Å; C521-W537 HydrophobicContact CB-CH2 3.93Å; C521-W537 HydrophobicContact CB-CZ2 3.64Å; C521-W537 HydrophobicContact CB-CZ3 4.06Å; C521-Y587 PolarHBondContact N-OH 2.94Å; C521-Y587 WeakPolarHBondContact O-CE1 3.16Å; C521-Y587 PolarHBondContact O-OH 3.17Å
522Q75.2Confident69.1Low17 Ų1764.4 Ų64.48%0.07932%0.323CS..EExtended strand (participates in β ladder)trans-78.3115.8163.6-165.2170.22.200109.5Y64 F536 F538 L586Y64-Q522 VanDerWaalsContact OH-CD 3.22Å; Y64-Q522 PolarHBondContact OH-NE2 2.81Å; Y64-Q522 PolarHBondContact OH-OE1 2.69Å; Q522-F536 HydrophobicContact CB-CB 4.18Å; Q522-F536 PolarHBondContact N-O 3.42Å; Q522-F538 HydrophobicContact CB-CE1 4.38Å; Q522-L586 HydrophobicContact CB-CD1 3.68Å; Q522-L586 HydrophobicContact CB-CG 4.23Å; Q522-L586 HydrophobicContact CG-CD1 3.63Å; Q522-L586 HydrophobicContact CG-CG 4.23Å
523P63.5Low66.8Low21 Ų2165.9 Ų65.914%0.13633%0.332CS..  trans-70.7150.5177.333.4-37.7000109.8C521 T525 Y587C521-P523 VanDerWaalsContact O-CD 3.31Å; C521-P523 WeakPolarHBondContact O-CD 3.41Å; P523-T525 PolarHBondContact O-N 3.43Å; P523-Y587 HydrophobicContact CB-CD1 4.48Å; P523-Y587 HydrophobicContact CG-CD1 3.59Å; P523-Y587 HydrophobicContact CG-CE1 4.04Å; P523-Y587 HydrophobicContact CG-CG 4.45Å
524N59.9Low65.2Low84 Ų8468.1 Ų68.145%0.44934%0.342SS..  trans-76.3116.6-176.9-145.90.8000110.1I533N524-I533 VanDerWaalsContact ND2-CB 3.3Å; N524-I533 WeakPolarHBondContact ND2-CB 3.41Å; N524-I533 WeakPolarHBondContact ND2-CG2 3.35Å; N524-I533 PolarHBondContact ND2-O 3.13Å; N524-I533 VanDerWaalsContact OD1-CG2 3.28Å; N524-I533 WeakPolarHBondContact OD1-CG2 3.41Å
525T50.3Low64Low68 Ų6866.3 Ų66.342%0.41733%0.334SS..  trans-91.6-6.7-175.453.30000114.1P523P523-T525 PolarHBondContact O-N 3.43Å
526S48Very low63.3Low48 Ų4867.1 Ų67.134%0.33634%0.337SS..  trans-90.6108.217955.80000111E528S526-E528 PolarHBondContact O-N 3.44Å
527N40Very low62.8Low168 Ų16867.4 Ų67.490%0.89834%0.338SS*.  trans-64.512169.1-81.1-15.1000114.2
528E35Very low62.4Low133 Ų13367.9 Ų67.962%0.62134%0.34SS*.SBendtrans-84.1120.6174.6-67.5-168.1176.900108.6S526 K530S526-E528 PolarHBondContact O-N 3.44Å; E528-K530 PolarHBondContact O-N 2.91Å
529E33.1Very low62.2Low194 Ų19468.2 Ų68.291%0.90734%0.342SS*.  trans-60.134.6178.6-62.3178.9142.400114.6E531E529-E531 PolarHBondContact O-N 3.02Å; E529-E531 VanDerWaalsContact O-N 3.11Å
530K35.8Very low62.1Low147 Ų14768.9 Ų68.964%0.63935%0.345SS*.  trans-80.194.7167.3-72.7-179.3-178.7162.90107.8E528 L532E528-K530 PolarHBondContact O-N 2.91Å; K530-L532 PolarHBondContact O-N 3.15Å
531E33.9Very low62.2Low196 Ų19668.9 Ų68.992%0.91635%0.345SS*.THydrogen-bonded Turntrans-44.49.6-179.2-75.8-176.6131.900118.5E529E529-E531 PolarHBondContact O-N 3.02Å; E529-E531 VanDerWaalsContact O-N 3.11Å
532L38.6Very low62.7Low129 Ų12968.7 Ų68.768%0.67534%0.343SS*.THydrogen-bonded Turntrans-135.1-1.3-168.2-85.2150000116K530 Q534K530-L532 PolarHBondContact O-N 3.15Å; L532-Q534 PolarHBondContact O-N 3.44Å
533I48.7Very low63.7Low84 Ų8467.9 Ų67.943%0.43134%0.34SS..  trans-75.6104179.9-55.9172.2000108.9N524N524-I533 VanDerWaalsContact ND2-CB 3.3Å; N524-I533 WeakPolarHBondContact ND2-CB 3.41Å; N524-I533 WeakPolarHBondContact ND2-CG2 3.35Å; N524-I533 PolarHBondContact ND2-O 3.13Å; N524-I533 VanDerWaalsContact OD1-CG2 3.28Å; N524-I533 WeakPolarHBondContact OD1-CG2 3.41Å
534Q57.5Low65.1Low57 Ų5767 Ų6727%0.26633%0.334SS..  trans-72.9131.2-169.8-165.2168500110.6R16 Y62 L532 F536R16-Q534 VanDerWaalsContact NH2-CG 3.31Å; Y62-Q534 PolarHBondContact OH-OE1 3Å; L532-Q534 PolarHBondContact O-N 3.44Å; Q534-F536 PolarHBondContact O-N 2.92Å
535E70.5Confident66.7Low32 Ų3264 Ų6415%0.1532%0.318CS..  trans-50.4138.6175.2-77.1165.2-170.600111.7R82 Y938 K952R82-E535 PolarHBondContact NH1-O 2.96Å; R82-E535 VanDerWaalsContact NH1-O 3.13Å; E535-Y938 PolarHBondContact OE1-OH 3.31Å; E535-Y938 WeakPolarHBondContact OE2-CE1 3.26Å; E535-Y938 PolarHBondContact OE2-OH 3.43Å; E535-Y938 VanDerWaalsContact OE2-OH 3.08Å; E535-K952 WeakPolarHBondContact OE1-CE 3.38Å; E535-K952 IonicContact OE1-NZ 3.2Å; E535-K952 PolarHBondContact OE1-NZ 3.45Å
536F79.3Confident68.6Low23 Ų2361.2 Ų61.210%0.10130%0.3CS..EExtended strand (participates in β ladder)trans-106.591.8-173.3-168.3-81.8000111.8Y64 R82 L476 Q522 Q534 F538Y64-F536 HydrophobicContact CD2-CD2 4.47Å; R82-F536 VanDerWaalsContact NE-CD2 3.28Å; R82-F536 VanDerWaalsContact NH2-C 3.35Å; L476-F536 HydrophobicContact CD1-CE1 4.39Å; L476-F536 HydrophobicContact CD2-CZ 4.36Å; Q522-F536 HydrophobicContact CB-CB 4.18Å; Q522-F536 PolarHBondContact N-O 3.42Å; Q534-F536 PolarHBondContact O-N 2.92Å; F536-F538 AromaticContact CD1-CD1 3.39Å; F536-F538 HydrophobicContact CD1-CD1 3.39Å; F536-F538 AromaticContact CD1-CE1 3.83Å; F536-F538 HydrophobicContact CD1-CE1 3.83Å; F536-F538 HydrophobicContact CD1-CG 4.32Å; F536-F538 HydrophobicContact CE1-CB 4.04Å; F536-F538 AromaticContact CE1-CD1 3.4Å; F536-F538 HydrophobicContact CE1-CD1 3.4Å; F536-F538 HydrophobicContact CE1-CE1 4.05Å; F536-F538 AromaticContact CE1-CG 3.9Å; F536-F538 HydrophobicContact CE1-CG 3.9Å
537W87Confident70.6Confident5 Ų560.5 Ų60.52%0.01930%0.3CS..EExtended strand (participates in β ladder)trans-88143.9171.5-69.986.2000113.8Y19 R82 W490 T505 A520 C521 Y938 I950Y19-W537 HydrophobicContact CD1-CB 3.95Å; Y19-W537 HydrophobicContact CD1-CG 4.43Å; Y19-W537 HydrophobicContact CD2-CB 3.3Å; Y19-W537 HydrophobicContact CD2-CG 4.36Å; Y19-W537 HydrophobicContact CE1-CB 4.48Å; Y19-W537 HydrophobicContact CE2-CB 3.93Å; Y19-W537 HydrophobicContact CG-CB 3.3Å; Y19-W537 AromaticContact CG-CG 3.93Å; Y19-W537 HydrophobicContact CG-CG 3.93Å; R82-W537 PolarHBondContact NH2-O 3.32Å; W490-W537 HydrophobicContact CH2-CH2 4.23Å; W490-W537 HydrophobicContact CZ3-CH2 4.01Å; T505-W537 HydrophobicContact CG2-CH2 4.32Å; A520-W537 VanDerWaalsContact C-CE3 3.48Å; A520-W537 VanDerWaalsContact O-CA 3.29Å; A520-W537 WeakPolarHBondContact O-CA 3.39Å; C521-W537 HydrophobicContact CB-CD2 3.6Å; C521-W537 VanDerWaalsContact CB-CE2 3.45Å; C521-W537 HydrophobicContact CB-CE3 3.9Å; C521-W537 HydrophobicContact CB-CG 4.15Å; C521-W537 HydrophobicContact CB-CH2 3.93Å; C521-W537 HydrophobicContact CB-CZ2 3.64Å; C521-W537 HydrophobicContact CB-CZ3 4.06Å; W537-Y938 HydrophobicContact CZ2-CD1 4.23Å; W537-Y938 HydrophobicContact CZ2-CE1 4.24Å; W537-I950 HydrophobicContact CD2-CD1 3.85Å; W537-I950 HydrophobicContact CE3-CD1 3.46Å; W537-I950 VanDerWaalsContact CE3-CD1 3.46Å; W537-I950 HydrophobicContact CH2-CD1 3.73Å; W537-I950 HydrophobicContact CZ2-CD1 4.08Å; W537-I950 HydrophobicContact CZ2-CG2 4.09Å; W537-I950 HydrophobicContact CZ3-CD1 3.4Å; W537-I950 VanDerWaalsContact CZ3-CD1 3.4Å
538F89.4Confident73.1Confident13 Ų1357.4 Ų57.46%0.05728%0.276CS..EExtended strand (participates in β ladder)trans-161.8166.4176.959.5-77000111.8L476 H519 A520 Q522 F536 L540 L586 P667L476-F538 HydrophobicContact CD1-CB 4.46Å; L476-F538 HydrophobicContact CD1-CD2 3.95Å; L476-F538 HydrophobicContact CD1-CE2 4.43Å; L476-F538 HydrophobicContact CD1-CG 4.23Å; L476-F538 HydrophobicContact CD2-CB 3.9Å; H519-F538 WeakPolarHBondContact CA-O 3.1Å; A520-F538 PolarHBondContact N-O 3.11Å; A520-F538 PolarHBondContact O-N 3.32Å; Q522-F538 HydrophobicContact CB-CE1 4.38Å; F536-F538 AromaticContact CD1-CD1 3.39Å; F536-F538 HydrophobicContact CD1-CD1 3.39Å; F536-F538 AromaticContact CD1-CE1 3.83Å; F536-F538 HydrophobicContact CD1-CE1 3.83Å; F536-F538 HydrophobicContact CD1-CG 4.32Å; F536-F538 HydrophobicContact CE1-CB 4.04Å; F536-F538 AromaticContact CE1-CD1 3.4Å; F536-F538 HydrophobicContact CE1-CD1 3.4Å; F536-F538 HydrophobicContact CE1-CE1 4.05Å; F536-F538 AromaticContact CE1-CG 3.9Å; F536-F538 HydrophobicContact CE1-CG 3.9Å; F538-L540 HydrophobicContact CE2-CB 4.09Å; F538-L540 HydrophobicContact CE2-CD1 3.76Å; F538-L540 HydrophobicContact CZ-CD1 4.2Å; F538-L540 PolarHBondContact O-N 3.38Å; F538-L586 HydrophobicContact CE1-CD1 3.91Å; F538-L586 HydrophobicContact CE1-CD2 4.31Å; F538-L586 HydrophobicContact CZ-CD1 3.66Å; F538-L586 HydrophobicContact CZ-CD2 4.09Å; F538-P667 HydrophobicContact CD2-CG 3.97Å; F538-P667 HydrophobicContact CE2-CG 3.93Å
539E92.4Very high76.1Confident6 Ų653.3 Ų53.33%0.02826%0.259CS..EExtended strand (participates in β ladder)trans-75.2111.5169.4-173.2178157.300108.8T479 R517 L518 R542 P667 L672T479-E539 WeakPolarHBondContact CB-OE2 3.17Å; T479-E539 VanDerWaalsContact OG1-CB 3.29Å; T479-E539 WeakPolarHBondContact OG1-CB 3.39Å; T479-E539 PolarHBondContact OG1-OE2 3.03Å; R517-E539 HydrophobicContact CB-CG 4.42Å; R517-E539 IonicContact CZ-OE2 2.87Å; R517-E539 IonicContact NH1-OE1 3.86Å; R517-E539 IonicContact NH1-OE2 3.47Å; R517-E539 PolarHBondContact NH1-OE2 3Å; L518-E539 CarbonylContact O-C 3.58Å; L518-E539 WeakPolarHBondContact O-CA 3.4Å; E539-R542 IonicContact OE1-CZ 3.88Å; E539-R542 IonicContact OE1-NE 3.88Å; E539-R542 PolarHBondContact OE1-NE 3.14Å; E539-R542 IonicContact OE1-NH2 3.12Å; E539-R542 PolarHBondContact OE1-NH2 2.93Å; E539-R542 IonicContact OE2-NH2 3.67Å; E539-P667 WeakPolarHBondContact O-CG 3.32Å; E539-L672 HydrophobicContact CB-CD1 4.41Å; E539-L672 HydrophobicContact CG-CD1 4.18Å; E539-L672 HydrophobicContact CG-CD2 4Å
540L91.4Very high79.1Confident14 Ų1444.1 Ų44.17%0.07322%0.216CC..EExtended strand (participates in β ladder)trans-88.1-31-179.517766.3000111.6L518 A520 F538 F579 F583 L586L518-L540 HydrophobicContact CD2-CB 3.95Å; L518-L540 HydrophobicContact CD2-CD2 4.23Å; L518-L540 PolarHBondContact O-N 2.99Å; A520-L540 HydrophobicContact CB-CB 3.93Å; A520-L540 HydrophobicContact CB-CD2 3.87Å; F538-L540 HydrophobicContact CE2-CB 4.09Å; F538-L540 HydrophobicContact CE2-CD1 3.76Å; F538-L540 HydrophobicContact CZ-CD1 4.2Å; F538-L540 PolarHBondContact O-N 3.38Å; L540-F579 HydrophobicContact CD2-CE2 3.75Å; L540-F579 HydrophobicContact CD2-CZ 4.29Å; L540-F579 HydrophobicContact CG-CE2 4.17Å; L540-F583 HydrophobicContact CD2-CB 4.44Å; L540-F583 HydrophobicContact CD2-CD2 3.9Å; L540-L586 HydrophobicContact CD2-CD2 4.48Å
541A93.3Very high82Confident0 Ų038.2 Ų38.20%019%0.191CC..EExtended strand (participates in β ladder)trans-152.6157.5179.900000111.3L518 P543 F579 T676L518-A541 HydrophobicContact CB-CB 4.17Å; L518-A541 WeakPolarHBondContact CB-O 3.37Å; L518-A541 PolarHBondContact N-O 2.97Å; L518-A541 PolarHBondContact O-N 3.16Å; A541-P543 VanDerWaalsContact C-CD 3.49Å; A541-P543 HydrophobicContact CB-CG 4.43Å; A541-P543 WeakPolarHBondContact O-CD 3.31Å; A541-F579 HydrophobicContact CB-CD2 3.9Å; A541-F579 HydrophobicContact CB-CE2 4.09Å; A541-T676 WeakPolarHBondContact CA-OG1 3.47Å; A541-T676 HydrophobicContact CB-CG2 4.42Å
542R93.9Very high85Confident3 Ų328.9 Ų28.91%0.01115%0.147CC..EExtended strand (participates in β ladder)trans-117.779.9167-163.2173.9-65.51635.7108.7V516 R517 E539 Q544 I545 E669 L672 T676V516-R542 CarbonylContact O-C 3.53Å; V516-R542 WeakPolarHBondContact O-CA 3.33Å; V516-R542 WeakPolarHBondContact O-CG 3.29Å; R517-R542 HydrophobicContact CG-CG 4.31Å; E539-R542 IonicContact OE1-CZ 3.88Å; E539-R542 IonicContact OE1-NE 3.88Å; E539-R542 PolarHBondContact OE1-NE 3.14Å; E539-R542 IonicContact OE1-NH2 3.12Å; E539-R542 PolarHBondContact OE1-NH2 2.93Å; E539-R542 IonicContact OE2-NH2 3.67Å; R542-Q544 PolarHBondContact O-N 2.83Å; R542-I545 HydrophobicContact CG-CG1 4.15Å; R542-E669 IonicContact CZ-OE1 3.84Å; R542-E669 IonicContact NH1-OE1 3.06Å; R542-E669 PolarHBondContact NH1-OE1 2.9Å; R542-E669 IonicContact NH2-OE1 3.79Å; R542-E669 PolarHBondContact NH2-OE1 2.88Å; R542-E669 IonicContact NH2-OE2 3.8Å; R542-E669 PolarHBondContact NH2-OE2 3.18Å; R542-L672 HydrophobicContact CB-CB 4.44Å; R542-L672 WeakPolarHBondContact CB-O 3.49Å; R542-T676 PolarHBondContact N-OG1 3.37Å
543P95.7Very high87.9Confident0 Ų022.9 Ų22.90%012%0.116CC..EExtended strand (participates in β ladder)trans-55.7-28.8-170.8-31.238.1000115.2L508 V516 L518 A541 Y561 N618 W678L508-P543 HydrophobicContact CD2-CG 4.13Å; V516-P543 HydrophobicContact CG1-CB 4.42Å; V516-P543 HydrophobicContact CG1-CG 4.46Å; V516-P543 VanDerWaalsContact O-CD 3.24Å; V516-P543 WeakPolarHBondContact O-CD 3.3Å; L518-P543 HydrophobicContact CB-CG 4.09Å; L518-P543 HydrophobicContact CD1-CG 4.44Å; A541-P543 VanDerWaalsContact C-CD 3.49Å; A541-P543 HydrophobicContact CB-CG 4.43Å; A541-P543 WeakPolarHBondContact O-CD 3.31Å; P543-Y561 HydrophobicContact CB-CE1 3.68Å; P543-Y561 WeakPolarHBondContact CB-OH 3.4Å; P543-Y561 HydrophobicContact CG-CE1 4.45Å; P543-N618 PolarHBondContact O-ND2 2.65Å; P543-W678 HydrophobicContact CB-CB 3.88Å; P543-W678 HydrophobicContact CB-CD2 3.98Å; P543-W678 HydrophobicContact CB-CG 3.66Å; P543-W678 HydrophobicContact CG-CD2 4.27Å; P543-W678 HydrophobicContact CG-CG 4.27Å; P543-W678 PolarHBondContact O-N 2.91Å
544Q94.5Very high90.2Very high3 Ų319.3 Ų19.31%0.01410%0.099CC..EExtended strand (participates in β ladder)trans-139.6131.4-178.9-173.3-179.6-3.300110.8T515 V516 R542 H546 Y561 S563 F573T515-Q544 CarbonylContact C-O 3.59Å; T515-Q544 WeakPolarHBondContact CA-O 3.39Å; V516-Q544 HydrophobicContact CB-CB 3.84Å; V516-Q544 HydrophobicContact CG2-CB 3.9Å; V516-Q544 PolarHBondContact N-O 2.75Å; R542-Q544 PolarHBondContact O-N 2.83Å; Q544-H546 HydrophobicContact CG-CB 4.41Å; Q544-Y561 WeakPolarHBondContact CB-OH 3.23Å; Q544-S563 PolarHBondContact OE1-OG 3.22Å; Q544-F573 HydrophobicContact CB-CZ 4.45Å; Q544-F573 VanDerWaalsContact CD-CZ 3.43Å; Q544-F573 HydrophobicContact CG-CE1 4.31Å; Q544-F573 HydrophobicContact CG-CZ 3.88Å
545I91.7Very high91.9Very high21 Ų2116.7 Ų16.711%0.1089%0.087CC..EExtended strand (participates in β ladder)trans-118.2127160.5-60.6176.2000105.1T515 R542 Q611 Q673 L677T515-I545 HydrophobicContact CG2-CG1 4.4Å; R542-I545 HydrophobicContact CG-CG1 4.15Å; I545-Q611 PolarHBondContact O-NE2 3.39Å; I545-Q611 PolarHBondContact O-OE1 2.92Å; I545-Q673 HydrophobicContact CD1-CB 4.25Å; I545-Q673 HydrophobicContact CD1-CG 4.48Å; I545-Q673 VanDerWaalsContact CD1-O 3.28Å; I545-Q673 WeakPolarHBondContact CD1-O 3.3Å; I545-L677 HydrophobicContact CB-CD2 4.46Å; I545-L677 HydrophobicContact CD1-CD2 4.43Å; I545-L677 HydrophobicContact CG1-CD2 4.16Å
546H90.8Very high93Very high10 Ų1016 Ų165%0.0468%0.084CC..  trans-118.7-169.2-171.6-157.635.8000111.1Q514 Q544 Y548 M550 E567 L616Q514-H546 HydrophobicContact CB-CB 4.5Å; Q514-H546 PolarHBondContact O-N 3.07Å; Q514-H546 PolarHBondContact OE1-O 2.8Å; Q544-H546 HydrophobicContact CG-CB 4.41Å; H546-Y548 AromaticContact NE2-CD2 3.71Å; H546-M550 HydrophobicContact CB-SD 4.14Å; H546-E567 IonicContact CD2-OE2 2.84Å; H546-E567 IonicContact CE1-OE2 3.69Å; H546-E567 PolarHBondContact CE1-OE2 2.88Å; H546-E567 IonicContact NE2-OE2 3.95Å; H546-E567 PolarHBondContact NE2-OE2 2.92Å; H546-L616 PolarHBondContact CE1-O 3.41Å; H546-L616 VanDerWaalsContact CE1-O 3.31Å; H546-L616 PolarHBondContact ND1-O 2.94Å
547G90.1Very high93.4Very high32 Ų3215.7 Ų15.733%0.339%0.085SC..SBendtrans-118.44.9168.700000113.7
548Y93.5Very high93.4Very high103 Ų10315.8 Ų15.840%0.4049%0.086SC..SBendtrans-132.6148.5179.5-66.9-79.8000110.2H546 M550 E567 L616H546-Y548 AromaticContact NE2-CD2 3.71Å; Y548-M550 PolarHBondContact O-N 3.01Å; Y548-E567 HydrophobicContact CD2-CG 3.51Å; Y548-E567 HydrophobicContact CE2-CG 3.82Å; Y548-E567 HydrophobicContact CG-CG 3.91Å; Y548-L616 HydrophobicContact CD2-CD1 4.4Å; Y548-L616 HydrophobicContact CE2-CD1 3.76Å
549D96.5Very high93.4Very high48 Ų4816.6 Ų16.626%0.2579%0.09SC..  trans-57136.5176.1-64.513.8000109.9F512 G565 D566F512-D549 HydrophobicContact CB-CB 4.3Å; F512-D549 HydrophobicContact CD1-CB 4.19Å; F512-D549 HydrophobicContact CG-CB 4.19Å; D549-G565 CarbonylContact O-C 3.58Å; D549-G565 WeakPolarHBondContact O-CA 3.36Å; D549-D566 PolarHBondContact O-N 2.82Å
550M96.8Very high93.4Very high1 Ų118.6 Ų18.61%0.00510%0.099CC..EExtended strand (participates in β ladder)trans-89.5129.3-177-53.1-8656.300110.7A486 A510 G511 F512 V516 H546 Y548 G565A486-M550 WeakPolarHBondContact CB-O 3.26Å; A510-M550 HydrophobicContact CB-CB 3.8Å; G511-M550 VanDerWaalsContact O-CB 3.3Å; G511-M550 WeakPolarHBondContact O-CB 3.16Å; G511-M550 WeakPolarHBondContact O-CG 3.01Å; G511-M550 PolarHBondContact O-N 3.15Å; G511-M550 VanDerWaalsContact O-N 3.08Å; F512-M550 WeakPolarHBondContact CD1-O 3.26Å; F512-M550 WeakPolarHBondContact CE1-O 3.36Å; V516-M550 HydrophobicContact CG2-SD 4.22Å; H546-M550 HydrophobicContact CB-SD 4.14Å; Y548-M550 PolarHBondContact O-N 3.01Å; M550-G565 VanDerWaalsContact CE-N 3.3Å
551N96.7Very high93.7Very high22 Ų2217.9 Ų17.912%0.11810%0.096CC..EExtended strand (participates in β ladder)trans-103-40.7-173.8-77.1-30000113.6A486 A564 G565 D566 I691A486-N551 WeakPolarHBondContact CB-O 3.14Å; N551-A564 PolarHBondContact N-O 2.75Å; N551-G565 VanDerWaalsContact ND2-C 3.3Å; N551-G565 PolarHBondContact ND2-O 2.92Å; N551-G565 VanDerWaalsContact ND2-O 3.15Å; N551-D566 PolarHBondContact ND2-N 2.75Å; N551-D566 PolarHBondContact ND2-OD1 3.41Å; N551-D566 PolarHBondContact OD1-OD1 2.74Å; N551-I691 WeakPolarHBondContact CB-O 3.5Å; N551-I691 PolarHBondContact ND2-O 3.34Å
552A97.6Very high93.8Very high0 Ų017.9 Ų17.90%010%0.096CC..EExtended strand (participates in β ladder)trans-145.9147.8-171.300000111.5S563 A564 L694A552-S563 WeakPolarHBondContact O-CA 3.47Å; A552-A564 PolarHBondContact N-O 2.92Å; A552-A564 VanDerWaalsContact N-O 3.11Å; A552-A564 PolarHBondContact O-N 3.45Å; A552-L694 HydrophobicContact CB-CB 4.2Å; A552-L694 HydrophobicContact CB-CD1 3.88Å; A552-L694 HydrophobicContact CB-CG 3.77Å
553I98Very high94Very high4 Ų417.8 Ų17.82%0.02110%0.095CC..EExtended strand (participates in β ladder)trans-145.9143175.3-167.3158.7000110.7D487 L508 A510 V516 Y561 V562D487-I553 HydrophobicContact CB-CG2 4.01Å; D487-I553 PolarHBondContact OD2-N 3.01Å; L508-I553 HydrophobicContact CB-CD1 3.72Å; L508-I553 HydrophobicContact CB-CG1 4.35Å; L508-I553 HydrophobicContact CD1-CD1 4.31Å; L508-I553 HydrophobicContact CG-CD1 4.42Å; A510-I553 HydrophobicContact CB-CB 3.93Å; A510-I553 HydrophobicContact CB-CD1 4.46Å; A510-I553 HydrophobicContact CB-CG2 3.95Å; V516-I553 HydrophobicContact CB-CD1 4.27Å; V516-I553 HydrophobicContact CG1-CD1 3.31Å; V516-I553 HydrophobicContact CG2-CD1 3.94Å; I553-Y561 HydrophobicContact CD1-CD2 4.03Å; I553-Y561 HydrophobicContact CD1-CE2 4.25Å; I553-Y561 HydrophobicContact CG1-CD2 4.08Å; I553-V562 WeakPolarHBondContact CA-O 3.4Å
554A97Very high94.1Very high8 Ų817.8 Ų17.87%0.06610%0.096CC..EExtended strand (participates in β ladder)trans-147.9129.7171.200000111.3Y561 V562 L694 V696A554-Y561 WeakPolarHBondContact O-CA 3.42Å; A554-V562 HydrophobicContact CB-CG2 4.05Å; A554-V562 PolarHBondContact N-O 3.25Å; A554-V562 WeakPolarHBondContact O-CG2 3.47Å; A554-V562 PolarHBondContact O-N 3.13Å; A554-L694 HydrophobicContact CB-CB 4.28Å; A554-V696 HydrophobicContact CB-CG2 3.52Å
555S94.9Very high94.1Very high2 Ų217.7 Ų17.71%0.01410%0.095CC..EExtended strand (participates in β ladder)trans-70.6128.6170.7-176.70000109.6S489 W490 S492 S557S489-S555 PolarHBondContact OG-N 3.43Å; W490-S555 VanDerWaalsContact O-CB 3.23Å; W490-S555 WeakPolarHBondContact O-CB 3.36Å; S492-S555 PolarHBondContact N-OG 3.05Å; S492-S555 VanDerWaalsContact N-OG 3.15Å; S492-S555 PolarHBondContact OG-O 3.27Å; S492-S555 PolarHBondContact OG-OG 3.42Å; S555-S557 PolarHBondContact OG-O 3.49Å; S555-S557 VanDerWaalsContact OG-O 3.13Å
556I93.1Very high94.3Very high17 Ų1720.2 Ų20.29%0.08711%0.109CC..EExtended strand (participates in β ladder)trans-92.6-42.3175.4-54.7160.6000110.5F560 V562 V572 V696 F701 V703 W726I556-F560 HydrophobicContact CB-CB 4.07Å; I556-F560 HydrophobicContact CD1-CB 4.18Å; I556-F560 PolarHBondContact N-O 2.85Å; I556-V562 HydrophobicContact CD1-CB 4.36Å; I556-V562 HydrophobicContact CD1-CG1 3.62Å; I556-V562 HydrophobicContact CD1-CG2 4.24Å; I556-V562 HydrophobicContact CG1-CG1 4.42Å; I556-V562 HydrophobicContact CG1-CG2 4.13Å; I556-V572 HydrophobicContact CD1-CG1 4.37Å; I556-V696 HydrophobicContact CB-CG1 4.35Å; I556-V696 HydrophobicContact CG1-CG1 4.39Å; I556-V696 HydrophobicContact CG1-CG2 3.86Å; I556-V696 HydrophobicContact CG2-CG1 4.09Å; I556-F701 HydrophobicContact CB-CE2 4.24Å; I556-F701 HydrophobicContact CG2-CD2 3.34Å; I556-F701 HydrophobicContact CG2-CE2 3.19Å; I556-F701 HydrophobicContact CG2-CG 4.4Å; I556-F701 HydrophobicContact CG2-CZ 4.14Å; I556-V703 HydrophobicContact CD1-CG2 4.25Å; I556-V703 HydrophobicContact CG1-CG2 4.21Å; I556-W726 HydrophobicContact CD1-CH2 3.57Å; I556-W726 HydrophobicContact CD1-CZ2 4.11Å
557S88.1Confident94.5Very high17 Ų1721.1 Ų21.112%0.11911%0.113CC..EExtended strand (participates in β ladder)trans-151.4176175.769.90000108.1S555 I559 F560S555-S557 PolarHBondContact OG-O 3.49Å; S555-S557 VanDerWaalsContact OG-O 3.13Å; S557-I559 PolarHBondContact O-N 2.94Å; S557-I559 WeakPolarHBondContact OG-CG1 3.22Å; S557-I559 PolarHBondContact OG-N 3.25Å; S557-F560 PolarHBondContact N-O 2.9Å; S557-F560 VanDerWaalsContact N-O 3.1Å; S557-F560 PolarHBondContact O-N 2.79Å; S557-F560 PolarHBondContact OG-N 2.78Å; S557-F560 VanDerWaalsContact OG-N 3.12Å
558P86.1Confident94.7Very high7 Ų725 Ų255%0.04512%0.121CC..THydrogen-bonded Turntrans-55.5-14.2171.1-29.737.7000115.8M491 S492 F494 Y506M491-P558 HydrophobicContact CG-CB 4.21Å; M491-P558 HydrophobicContact CG-CG 4.3Å; M491-P558 HydrophobicContact SD-CB 4.13Å; M491-P558 HydrophobicContact SD-CG 4.4Å; S492-P558 VanDerWaalsContact O-CD 3.28Å; S492-P558 WeakPolarHBondContact O-CD 3.43Å; S492-P558 WeakPolarHBondContact O-CG 3.28Å; F494-P558 HydrophobicContact CD1-CB 4.37Å; F494-P558 HydrophobicContact CD1-CG 3.72Å; F494-P558 HydrophobicContact CD2-CG 3.88Å; F494-P558 HydrophobicContact CE1-CB 3.69Å; F494-P558 HydrophobicContact CE1-CG 3.55Å; F494-P558 HydrophobicContact CE2-CB 4.02Å; F494-P558 HydrophobicContact CE2-CG 3.72Å; F494-P558 HydrophobicContact CG-CG 3.88Å; F494-P558 HydrophobicContact CZ-CB 3.49Å; F494-P558 VanDerWaalsContact CZ-CB 3.49Å; F494-P558 HydrophobicContact CZ-CG 3.56Å; Y506-P558 PolarHBondContact OH-O 2.66Å
559I89.6Confident94.8Very high30 Ų3020.8 Ų20.815%0.15411%0.106CC..THydrogen-bonded Turntrans-124.7-4.3-175.461.9166.9000113.8S557 T574 T575 L580 I599S557-I559 PolarHBondContact O-N 2.94Å; S557-I559 WeakPolarHBondContact OG-CG1 3.22Å; S557-I559 PolarHBondContact OG-N 3.25Å; I559-T574 CarbonylContact O-C 3.59Å; I559-T574 WeakPolarHBondContact O-CA 3.38Å; I559-T574 PolarHBondContact O-OG1 3.3Å; I559-T575 HydrophobicContact CB-CG2 3.7Å; I559-T575 HydrophobicContact CG2-CG2 3.79Å; I559-T575 PolarHBondContact O-N 3.46Å; I559-L580 HydrophobicContact CG2-CD2 4.16Å; I559-I599 HydrophobicContact CD1-CG2 4.45Å; I559-I599 HydrophobicContact CG2-CG2 4.3Å
560F92.7Very high94.9Very high48 Ų4818.5 Ų18.521%0.2119%0.094CC..EExtended strand (participates in β ladder)trans-132.4140.2178.5-73.5-83.1000110.8I556 S557 V572 F573 T574 V681 F701I556-F560 HydrophobicContact CB-CB 4.07Å; I556-F560 HydrophobicContact CD1-CB 4.18Å; I556-F560 PolarHBondContact N-O 2.85Å; S557-F560 PolarHBondContact N-O 2.9Å; S557-F560 VanDerWaalsContact N-O 3.1Å; S557-F560 PolarHBondContact O-N 2.79Å; S557-F560 PolarHBondContact OG-N 2.78Å; S557-F560 VanDerWaalsContact OG-N 3.12Å; F560-V572 HydrophobicContact CD1-CG1 4.37Å; F560-F573 WeakPolarHBondContact CA-O 3.48Å; F560-F573 WeakPolarHBondContact CD1-O 3.49Å; F560-T574 VanDerWaalsContact CE1-OG1 3.3Å; F560-T574 WeakPolarHBondContact CE1-OG1 3.36Å; F560-T574 WeakPolarHBondContact CZ-OG1 3.17Å; F560-V681 HydrophobicContact CE1-CG2 4.33Å; F560-F701 HydrophobicContact CD2-CE2 4.34Å; F560-F701 HydrophobicContact CD2-CZ 4.12Å; F560-F701 HydrophobicContact CG-CZ 4.18Å
561Y96.3Very high94.9Very high0 Ų018.9 Ų18.90%010%0.095CC..EExtended strand (participates in β ladder)trans-138.5162.5166.876.8-92.3000110.8L508 V516 P543 Q544 I553 A554 F573 W678L508-Y561 HydrophobicContact CD1-CD1 4.21Å; L508-Y561 HydrophobicContact CD1-CG 3.97Å; V516-Y561 HydrophobicContact CG1-CE2 4.39Å; P543-Y561 HydrophobicContact CB-CE1 3.68Å; P543-Y561 WeakPolarHBondContact CB-OH 3.4Å; P543-Y561 HydrophobicContact CG-CE1 4.45Å; Q544-Y561 WeakPolarHBondContact CB-OH 3.23Å; I553-Y561 HydrophobicContact CD1-CD2 4.03Å; I553-Y561 HydrophobicContact CD1-CE2 4.25Å; I553-Y561 HydrophobicContact CG1-CD2 4.08Å; A554-Y561 WeakPolarHBondContact O-CA 3.42Å; Y561-F573 HydrophobicContact CD1-CB 3.87Å; Y561-F573 HydrophobicContact CD2-CB 4.46Å; Y561-F573 HydrophobicContact CD2-CD2 4.31Å; Y561-F573 HydrophobicContact CE1-CB 3.38Å; Y561-F573 HydrophobicContact CE1-CD2 4.37Å; Y561-F573 AromaticContact CE1-CG 3.95Å; Y561-F573 HydrophobicContact CE1-CG 3.95Å; Y561-F573 HydrophobicContact CE2-CB 4.02Å; Y561-F573 AromaticContact CE2-CD2 3.5Å; Y561-F573 HydrophobicContact CE2-CD2 3.5Å; Y561-F573 VanDerWaalsContact CE2-CD2 3.5Å; Y561-F573 HydrophobicContact CE2-CE2 4.22Å; Y561-F573 AromaticContact CE2-CG 3.94Å; Y561-F573 HydrophobicContact CE2-CG 3.94Å; Y561-F573 HydrophobicContact CG-CB 4.38Å; Y561-F573 VanDerWaalsContact CZ-CB 3.45Å; Y561-F573 AromaticContact CZ-CD2 3.54Å; Y561-F573 AromaticContact CZ-CG 3.48Å; Y561-F573 VanDerWaalsContact CZ-CG 3.48Å; Y561-F573 PolarHBondContact N-O 2.92Å; Y561-F573 VanDerWaalsContact N-O 3.15Å; Y561-F573 PolarHBondContact O-N 3.45Å; Y561-F573 WeakPolarHBondContact OH-CD2 3.47Å; Y561-F573 VanDerWaalsContact OH-CG 3.3Å; Y561-F573 WeakPolarHBondContact OH-CG 3.44Å; Y561-W678 HydrophobicContact CD1-CD2 4.5Å; Y561-W678 AromaticContact CD1-CE3 3.53Å; Y561-W678 HydrophobicContact CD1-CE3 3.53Å; Y561-W678 AromaticContact CD1-CZ3 3.65Å; Y561-W678 HydrophobicContact CD1-CZ3 3.65Å; Y561-W678 HydrophobicContact CE1-CB 4.38Å; Y561-W678 HydrophobicContact CE1-CD2 4.08Å; Y561-W678 AromaticContact CE1-CE3 3.48Å; Y561-W678 HydrophobicContact CE1-CE3 3.48Å; Y561-W678 VanDerWaalsContact CE1-CE3 3.48Å; Y561-W678 HydrophobicContact CE1-CZ3 4.07Å
562V97.4Very high94.9Very high0 Ų017.8 Ų17.80%09%0.089CC..EExtended strand (participates in β ladder)trans-116.3140.7168.2-81.60000110.5I553 A554 I556 V570 R571 V572 L694 V696 V703I553-V562 WeakPolarHBondContact CA-O 3.4Å; A554-V562 HydrophobicContact CB-CG2 4.05Å; A554-V562 PolarHBondContact N-O 3.25Å; A554-V562 WeakPolarHBondContact O-CG2 3.47Å; A554-V562 PolarHBondContact O-N 3.13Å; I556-V562 HydrophobicContact CD1-CB 4.36Å; I556-V562 HydrophobicContact CD1-CG1 3.62Å; I556-V562 HydrophobicContact CD1-CG2 4.24Å; I556-V562 HydrophobicContact CG1-CG1 4.42Å; I556-V562 HydrophobicContact CG1-CG2 4.13Å; V562-V570 HydrophobicContact CB-CG1 4Å; V562-V570 HydrophobicContact CG1-CG1 4.08Å; V562-R571 VanDerWaalsContact CA-O 3.24Å; V562-R571 WeakPolarHBondContact CA-O 3.19Å; V562-V572 HydrophobicContact CG1-CB 4.23Å; V562-V572 HydrophobicContact CG1-CG1 4.41Å; V562-V572 HydrophobicContact CG1-CG2 3.7Å; V562-L694 HydrophobicContact CB-CD1 4.31Å; V562-L694 HydrophobicContact CG2-CD1 4.17Å; V562-V696 HydrophobicContact CG2-CG2 4.2Å; V562-V703 HydrophobicContact CG1-CG2 4.26Å; V562-V703 HydrophobicContact CG2-CG1 4.03Å; V562-V703 HydrophobicContact CG2-CG2 4.1Å
563S97.8Very high94.8Very high0 Ų017.9 Ų17.90%09%0.09CC..EExtended strand (participates in β ladder)trans-130159.6171.563.80000110.6Q544 A552 R571 F573Q544-S563 PolarHBondContact OE1-OG 3.22Å; A552-S563 WeakPolarHBondContact O-CA 3.47Å; S563-R571 PolarHBondContact N-O 3.25Å; S563-R571 PolarHBondContact O-N 2.96Å; S563-F573 WeakPolarHBondContact OG-CE2 3.05Å
564A97.3Very high94.6Very high1 Ų118.2 Ų18.21%0.0089%0.092CC..EExtended strand (participates in β ladder)trans-144138.9168.800000110.5N551 A552 I691 L694N551-A564 PolarHBondContact N-O 2.75Å; A552-A564 PolarHBondContact N-O 2.92Å; A552-A564 VanDerWaalsContact N-O 3.11Å; A552-A564 PolarHBondContact O-N 3.45Å; A564-I691 HydrophobicContact CB-CB 3.44Å; A564-I691 VanDerWaalsContact CB-CB 3.44Å; A564-I691 HydrophobicContact CB-CG1 3.86Å; A564-I691 HydrophobicContact CB-CG2 3.52Å; A564-L694 HydrophobicContact CB-CD1 4.13Å
565G94.7Very high94.5Very high1 Ų117.9 Ų17.91%0.019%0.089CC..EExtended strand (participates in β ladder)trans-103.8-162.6175.300000112.8D549 M550 N551 E567D549-G565 CarbonylContact O-C 3.58Å; D549-G565 WeakPolarHBondContact O-CA 3.36Å; M550-G565 VanDerWaalsContact CE-N 3.3Å; N551-G565 VanDerWaalsContact ND2-C 3.3Å; N551-G565 PolarHBondContact ND2-O 2.92Å; N551-G565 VanDerWaalsContact ND2-O 3.15Å; G565-E567 PolarHBondContact O-N 2.9Å
566D94.9Very high94.3Very high73 Ų7317.8 Ų17.839%0.399%0.088SC..SBendtrans-67.949.5164.3-84.7-15.4000111.8D549 N551D549-D566 PolarHBondContact O-N 2.82Å; N551-D566 PolarHBondContact ND2-N 2.75Å; N551-D566 PolarHBondContact ND2-OD1 3.41Å; N551-D566 PolarHBondContact OD1-OD1 2.74Å
567E94.9Very high94.1Very high30 Ų3019.6 Ų19.614%0.1410%0.096CC..SBendtrans-136.5159.2179.6-68.8-173.4102.500109.6H546 Y548 G565 V569 R571 E690 I691H546-E567 IonicContact CD2-OE2 2.84Å; H546-E567 IonicContact CE1-OE2 3.69Å; H546-E567 PolarHBondContact CE1-OE2 2.88Å; H546-E567 IonicContact NE2-OE2 3.95Å; H546-E567 PolarHBondContact NE2-OE2 2.92Å; Y548-E567 HydrophobicContact CD2-CG 3.51Å; Y548-E567 HydrophobicContact CE2-CG 3.82Å; Y548-E567 HydrophobicContact CG-CG 3.91Å; G565-E567 PolarHBondContact O-N 2.9Å; E567-V569 PolarHBondContact O-N 2.88Å; E567-R571 VanDerWaalsContact CD-NH2 3.33Å; E567-R571 IonicContact OE1-CZ 3.98Å; E567-R571 IonicContact OE1-NH2 2.67Å; E567-R571 PolarHBondContact OE1-NH2 2.84Å; E567-R571 IonicContact OE2-CZ 3.66Å; E567-R571 IonicContact OE2-NE 3.99Å; E567-R571 PolarHBondContact OE2-NE 2.8Å; E567-R571 VanDerWaalsContact OE2-NE 3.09Å; E567-R571 IonicContact OE2-NH2 3.75Å; E567-R571 PolarHBondContact OE2-NH2 2.76Å; E567-E690 VanDerWaalsContact O-CA 3.28Å; E567-E690 WeakPolarHBondContact O-CA 3.43Å; E567-I691 PolarHBondContact O-N 3.42Å; E567-I691 VanDerWaalsContact O-N 3.07Å
568K95.6Very high93.9Very high114 Ų11421.2 Ų21.250%0.49610%0.103SC..SBendtrans-79.42-179.8-50.8-178.6179.3-159.20114.1P688 Y689K568-P688 VanDerWaalsContact CD-O 3.28Å; K568-P688 WeakPolarHBondContact CD-O 3.42Å; K568-P688 WeakPolarHBondContact CE-O 3.09Å; K568-P688 PolarHBondContact NZ-O 3.31Å; K568-Y689 WeakPolarHBondContact CA-O 3.34Å
569V95.7Very high94.1Very high14 Ų1421.4 Ų21.49%0.08510%0.103CC..EExtended strand (participates in β ladder)trans-118.7134-164.7-1780000108.8E567 R571 K683 Y685E567-V569 PolarHBondContact O-N 2.88Å; V569-R571 HydrophobicContact CG1-CG 4.37Å; V569-K683 HydrophobicContact CG1-CB 3.71Å; V569-K683 HydrophobicContact CG1-CG 4.23Å; V569-Y685 HydrophobicContact CG1-CE1 4.38Å; V569-Y685 HydrophobicContact CG2-CD1 3.67Å; V569-Y685 HydrophobicContact CG2-CE1 3.43Å; V569-Y685 VanDerWaalsContact CG2-CE1 3.43Å
570V97.3Very high94Very high0 Ų020.1 Ų20.10%010%0.096CC..EExtended strand (participates in β ladder)trans-90137.1166.2-176.50000108V562 L684 I691 L694V562-V570 HydrophobicContact CB-CG1 4Å; V562-V570 HydrophobicContact CG1-CG1 4.08Å; V570-L684 HydrophobicContact CB-CB 4.02Å; V570-L684 HydrophobicContact CB-CD1 4.07Å; V570-L684 HydrophobicContact CB-CG 4.18Å; V570-L684 HydrophobicContact CG1-CD1 4.1Å; V570-L684 PolarHBondContact N-O 3.31Å; V570-L684 PolarHBondContact O-N 2.82Å; V570-I691 HydrophobicContact CG2-CD1 4Å; V570-I691 HydrophobicContact CG2-CG1 3.87Å; V570-I691 HydrophobicContact CG2-CG2 4.29Å; V570-L694 HydrophobicContact CG1-CD1 4.31Å; V570-L694 HydrophobicContact CG1-CD2 3.91Å; V570-L694 HydrophobicContact CG2-CD2 3.88Å
571R96.8Very high93.6Very high8 Ų820.9 Ų20.93%0.0310%0.103CC..EExtended strand (participates in β ladder)trans-114.9133.3-178.1-65.6174.7-175.6-110.86.6109.8V562 S563 E567 V569 F573 L616 S617 E680 K682V562-R571 VanDerWaalsContact CA-O 3.24Å; V562-R571 WeakPolarHBondContact CA-O 3.19Å; S563-R571 PolarHBondContact N-O 3.25Å; S563-R571 PolarHBondContact O-N 2.96Å; E567-R571 VanDerWaalsContact CD-NH2 3.33Å; E567-R571 IonicContact OE1-CZ 3.98Å; E567-R571 IonicContact OE1-NH2 2.67Å; E567-R571 PolarHBondContact OE1-NH2 2.84Å; E567-R571 IonicContact OE2-CZ 3.66Å; E567-R571 IonicContact OE2-NE 3.99Å; E567-R571 PolarHBondContact OE2-NE 2.8Å; E567-R571 VanDerWaalsContact OE2-NE 3.09Å; E567-R571 IonicContact OE2-NH2 3.75Å; E567-R571 PolarHBondContact OE2-NH2 2.76Å; V569-R571 HydrophobicContact CG1-CG 4.37Å; R571-F573 HydrophobicContact CB-CD2 4.26Å; R571-F573 HydrophobicContact CB-CE2 3.49Å; R571-F573 VanDerWaalsContact CB-CE2 3.49Å; R571-F573 HydrophobicContact CB-CZ 4.14Å; R571-L616 PolarHBondContact NH1-O 2.7Å; R571-S617 PolarHBondContact NH1-OG 3.04Å; R571-E680 HydrophobicContact CB-CG 4.5Å; R571-E680 IonicContact CZ-OE2 3.49Å; R571-E680 IonicContact NH1-OE2 3.71Å; R571-E680 PolarHBondContact NH1-OE2 3.38Å; R571-K682 WeakPolarHBondContact CA-O 3.17Å
572V96.4Very high93Very high0 Ų023 Ų230%012%0.118CC..EExtended strand (participates in β ladder)trans-104.5128.1178.6-174.70000108.2I556 F560 V562 V681 K682 L684 W726I556-V572 HydrophobicContact CD1-CG1 4.37Å; F560-V572 HydrophobicContact CD1-CG1 4.37Å; V562-V572 HydrophobicContact CG1-CB 4.23Å; V562-V572 HydrophobicContact CG1-CG1 4.41Å; V562-V572 HydrophobicContact CG1-CG2 3.7Å; V572-V681 PolarHBondContact O-N 3.4Å; V572-K682 HydrophobicContact CB-CB 4.05Å; V572-K682 HydrophobicContact CG2-CB 4.03Å; V572-K682 PolarHBondContact N-O 3.15Å; V572-K682 PolarHBondContact O-N 3.31Å; V572-L684 HydrophobicContact CG2-CD1 4.05Å; V572-L684 HydrophobicContact CG2-CD2 4.1Å; V572-L684 HydrophobicContact CG2-CG 4.12Å; V572-W726 HydrophobicContact CB-CZ2 4.45Å; V572-W726 HydrophobicContact CG1-CH2 4.37Å; V572-W726 HydrophobicContact CG1-CZ2 3.61Å; V572-W726 HydrophobicContact CG2-CD2 3.92Å; V572-W726 HydrophobicContact CG2-CE3 4.27Å; V572-W726 HydrophobicContact CG2-CG 4.43Å; V572-W726 HydrophobicContact CG2-CH2 4.36Å; V572-W726 HydrophobicContact CG2-CZ2 3.98Å; V572-W726 HydrophobicContact CG2-CZ3 4.49Å
573F96.3Very high92.3Very high2 Ų223.3 Ų23.31%0.00912%0.119CC..EExtended strand (participates in β ladder)trans-119.5146.4180-69.3-93.6000110.7Q544 F560 Y561 S563 R571 N618 W678 P679 E680Q544-F573 HydrophobicContact CB-CZ 4.45Å; Q544-F573 VanDerWaalsContact CD-CZ 3.43Å; Q544-F573 HydrophobicContact CG-CE1 4.31Å; Q544-F573 HydrophobicContact CG-CZ 3.88Å; F560-F573 WeakPolarHBondContact CA-O 3.48Å; F560-F573 WeakPolarHBondContact CD1-O 3.49Å; Y561-F573 HydrophobicContact CD1-CB 3.87Å; Y561-F573 HydrophobicContact CD2-CB 4.46Å; Y561-F573 HydrophobicContact CD2-CD2 4.31Å; Y561-F573 HydrophobicContact CE1-CB 3.38Å; Y561-F573 HydrophobicContact CE1-CD2 4.37Å; Y561-F573 AromaticContact CE1-CG 3.95Å; Y561-F573 HydrophobicContact CE1-CG 3.95Å; Y561-F573 HydrophobicContact CE2-CB 4.02Å; Y561-F573 AromaticContact CE2-CD2 3.5Å; Y561-F573 HydrophobicContact CE2-CD2 3.5Å; Y561-F573 VanDerWaalsContact CE2-CD2 3.5Å; Y561-F573 HydrophobicContact CE2-CE2 4.22Å; Y561-F573 AromaticContact CE2-CG 3.94Å; Y561-F573 HydrophobicContact CE2-CG 3.94Å; Y561-F573 HydrophobicContact CG-CB 4.38Å; Y561-F573 VanDerWaalsContact CZ-CB 3.45Å; Y561-F573 AromaticContact CZ-CD2 3.54Å; Y561-F573 AromaticContact CZ-CG 3.48Å; Y561-F573 VanDerWaalsContact CZ-CG 3.48Å; Y561-F573 PolarHBondContact N-O 2.92Å; Y561-F573 VanDerWaalsContact N-O 3.15Å; Y561-F573 PolarHBondContact O-N 3.45Å; Y561-F573 WeakPolarHBondContact OH-CD2 3.47Å; Y561-F573 VanDerWaalsContact OH-CG 3.3Å; Y561-F573 WeakPolarHBondContact OH-CG 3.44Å; S563-F573 WeakPolarHBondContact OG-CE2 3.05Å; R571-F573 HydrophobicContact CB-CD2 4.26Å; R571-F573 HydrophobicContact CB-CE2 3.49Å; R571-F573 VanDerWaalsContact CB-CE2 3.49Å; R571-F573 HydrophobicContact CB-CZ 4.14Å; F573-N618 HydrophobicContact CE1-CB 4.32Å; F573-W678 HydrophobicContact CB-CB 4.44Å; F573-W678 HydrophobicContact CD1-CB 4.46Å; F573-W678 WeakPolarHBondContact CD1-O 3.46Å; F573-P679 WeakPolarHBondContact CA-O 3.38Å; F573-E680 HydrophobicContact CD1-CB 4.16Å; F573-E680 HydrophobicContact CE1-CB 3.8Å; F573-E680 HydrophobicContact CE1-CG 4.27Å; F573-E680 HydrophobicContact CZ-CB 4.27Å; F573-E680 HydrophobicContact CZ-CG 4.26Å
574T94.5Very high91.6Very high11 Ų1125.6 Ų25.67%0.06713%0.129CC..EExtended strand (participates in β ladder)trans-116.8160.5170.9-164.30000110.5I559 F560 P606 W678 P679 V681I559-T574 CarbonylContact O-C 3.59Å; I559-T574 WeakPolarHBondContact O-CA 3.38Å; I559-T574 PolarHBondContact O-OG1 3.3Å; F560-T574 VanDerWaalsContact CE1-OG1 3.3Å; F560-T574 WeakPolarHBondContact CE1-OG1 3.36Å; F560-T574 WeakPolarHBondContact CZ-OG1 3.17Å; T574-P606 HydrophobicContact CG2-CG 4.23Å; T574-W678 VanDerWaalsContact O-CB 3.22Å; T574-W678 WeakPolarHBondContact O-CB 3.34Å; T574-P679 HydrophobicContact CG2-CG 3.86Å; T574-P679 PolarHBondContact N-O 3.13Å; T574-P679 VanDerWaalsContact N-O 3.16Å; T574-P679 VanDerWaalsContact O-CD 3.22Å; T574-P679 WeakPolarHBondContact O-CD 3.43Å; T574-V681 HydrophobicContact CG2-CG2 3.46Å; T574-V681 VanDerWaalsContact CG2-CG2 3.46Å
575T93.2Very high90.7Very high0 Ų030.7 Ų30.70%015%0.151CC..  trans-76.5174.2179-160.50000113.4I559 F579 L580 I605 W678I559-T575 HydrophobicContact CB-CG2 3.7Å; I559-T575 HydrophobicContact CG2-CG2 3.79Å; I559-T575 PolarHBondContact O-N 3.46Å; T575-F579 WeakPolarHBondContact OG1-CD1 3.45Å; T575-L580 HydrophobicContact CG2-CD1 3.76Å; T575-L580 HydrophobicContact CG2-CD2 3.83Å; T575-L580 HydrophobicContact CG2-CG 3.68Å; T575-I605 HydrophobicContact CG2-CG2 4.38Å; T575-W678 WeakPolarHBondContact OG1-CZ2 3.43Å
576T92Very high89.9Confident1 Ų131.3 Ų31.31%0.00615%0.154CC..  trans-115.6155.9177.562.30000111.4D578 F579 L580 P606 T607 L677 P679T576-D578 PolarHBondContact O-N 2.77Å; T576-F579 PolarHBondContact O-N 2.93Å; T576-F579 WeakPolarHBondContact OG1-CB 3.47Å; T576-F579 PolarHBondContact OG1-N 3.29Å; T576-L580 WeakPolarHBondContact O-CG 3.26Å; T576-L580 PolarHBondContact O-N 2.82Å; T576-P606 CarbonylContact C-O 3.58Å; T576-P606 WeakPolarHBondContact CA-O 3.26Å; T576-T607 WeakPolarHBondContact CB-O 3.22Å; T576-L677 WeakPolarHBondContact CG2-O 3.47Å; T576-P679 HydrophobicContact CG2-CG 4.4Å
577K89.2Confident88.8Confident54 Ų5428.4 Ų28.424%0.23514%0.138CC..Hα-helixtrans-58.3-39.2173.7-71.1176.2169.4165.60111.3L580 N581 L600 I605 P606 T607K577-L580 PolarHBondContact O-N 3.06Å; K577-N581 WeakPolarHBondContact O-CB 3.45Å; K577-N581 VanDerWaalsContact O-CG 3.28Å; K577-N581 PolarHBondContact O-N 3.38Å; K577-N581 PolarHBondContact O-ND2 3.15Å; K577-L600 HydrophobicContact CB-CD2 4.09Å; K577-L600 HydrophobicContact CG-CD2 3.96Å; K577-I605 WeakPolarHBondContact CE-O 3.42Å; K577-I605 HydrophobicContact CG-CB 4.31Å; K577-I605 HydrophobicContact CG-CG2 3.97Å; K577-P606 PolarHBondContact N-O 3.28Å; K577-T607 HydrophobicContact CD-CG2 4.14Å; K577-T607 PolarHBondContact N-O 3.15Å
578D84.2Confident87.5Confident52 Ų5231.6 Ų31.628%0.27815%0.151SC..Hα-helixtrans-62.9-43.3178.7-65.6-20000112.3T576 S582 T607T576-D578 PolarHBondContact O-N 2.77Å; D578-S582 PolarHBondContact O-N 3.39Å; D578-S582 VanDerWaalsContact O-N 3.11Å; D578-S582 PolarHBondContact O-OG 3.41Å; D578-T607 PolarHBondContact N-O 3.38Å
579F88.8Confident86.2Confident11 Ų1127.8 Ų27.85%0.04814%0.139CC..Hα-helixtrans-62.7-49.6174.1171.5-92.7000111.2L518 L540 A541 T575 T576 N581 S582 F583 W678L518-F579 HydrophobicContact CD1-CE2 3.64Å; L518-F579 HydrophobicContact CD1-CZ 3.6Å; L518-F579 HydrophobicContact CD2-CE2 3.91Å; L518-F579 HydrophobicContact CD2-CZ 4.16Å; L518-F579 HydrophobicContact CG-CE2 4.42Å; L540-F579 HydrophobicContact CD2-CE2 3.75Å; L540-F579 HydrophobicContact CD2-CZ 4.29Å; L540-F579 HydrophobicContact CG-CE2 4.17Å; A541-F579 HydrophobicContact CB-CD2 3.9Å; A541-F579 HydrophobicContact CB-CE2 4.09Å; T575-F579 WeakPolarHBondContact OG1-CD1 3.45Å; T576-F579 PolarHBondContact O-N 2.93Å; T576-F579 WeakPolarHBondContact OG1-CB 3.47Å; T576-F579 PolarHBondContact OG1-N 3.29Å; F579-N581 VanDerWaalsContact C-N 3.29Å; F579-N581 PolarHBondContact O-N 3.18Å; F579-S582 WeakPolarHBondContact O-CB 3.15Å; F579-S582 PolarHBondContact O-N 3.1Å; F579-S582 VanDerWaalsContact O-N 3.09Å; F579-F583 HydrophobicContact CD1-CB 4.48Å; F579-F583 HydrophobicContact CE1-CB 4.05Å; F579-F583 HydrophobicContact CE1-CD2 4.44Å; F579-F583 HydrophobicContact CE1-CG 4.24Å; F579-F583 HydrophobicContact CZ-CB 4.16Å; F579-F583 AromaticContact CZ-CD2 3.99Å; F579-F583 HydrophobicContact CZ-CD2 3.99Å; F579-F583 HydrophobicContact CZ-CG 4.22Å; F579-F583 WeakPolarHBondContact O-CB 3.46Å; F579-F583 PolarHBondContact O-N 2.95Å; F579-W678 AromaticContact CD1-CZ2 3.68Å; F579-W678 HydrophobicContact CD1-CZ2 3.68Å; F579-W678 HydrophobicContact CD2-CZ2 4.21Å; F579-W678 AromaticContact CD2-NE1 3.94Å; F579-W678 HydrophobicContact CE1-CH2 4.3Å; F579-W678 AromaticContact CE1-CZ2 3.61Å; F579-W678 HydrophobicContact CE1-CZ2 3.61Å; F579-W678 HydrophobicContact CE2-CZ2 4.15Å; F579-W678 AromaticContact CG-CZ2 3.97Å; F579-W678 HydrophobicContact CG-CZ2 3.97Å; F579-W678 AromaticContact CG-NE1 3.77Å; F579-W678 AromaticContact CZ-CZ2 3.85Å; F579-W678 HydrophobicContact CZ-CZ2 3.85Å
580L88Confident84.9Confident2 Ų231.9 Ų31.91%0.0117%0.168CC..Hα-helixtrans-60.2-39.9-178-72.6-177.5000112I559 T575 T576 K577 F583 K584 L596 I599 L600 I605I559-L580 HydrophobicContact CG2-CD2 4.16Å; T575-L580 HydrophobicContact CG2-CD1 3.76Å; T575-L580 HydrophobicContact CG2-CD2 3.83Å; T575-L580 HydrophobicContact CG2-CG 3.68Å; T576-L580 WeakPolarHBondContact O-CG 3.26Å; T576-L580 PolarHBondContact O-N 2.82Å; K577-L580 PolarHBondContact O-N 3.06Å; L580-F583 PolarHBondContact O-N 2.94Å; L580-K584 WeakPolarHBondContact O-CB 3.02Å; L580-K584 PolarHBondContact O-N 3.03Å; L580-L596 HydrophobicContact CD2-CD2 3.96Å; L580-I599 HydrophobicContact CD1-CG2 3.83Å; L580-L600 HydrophobicContact CB-CD1 4.49Å; L580-L600 HydrophobicContact CB-CD2 3.83Å; L580-L600 HydrophobicContact CB-CG 4.24Å; L580-L600 HydrophobicContact CD1-CD2 3.91Å; L580-L600 HydrophobicContact CD1-CG 4.16Å; L580-I605 HydrophobicContact CD1-CD1 3.73Å; L580-I605 HydrophobicContact CD1-CG2 4.3Å
581N85.4Confident83.6Confident64 Ų6433 Ų3334%0.34218%0.176SC..Hα-helixtrans-62.3-43.7174.4-75.5-32.6000111.9K577 F579 K584 K585K577-N581 WeakPolarHBondContact O-CB 3.45Å; K577-N581 VanDerWaalsContact O-CG 3.28Å; K577-N581 PolarHBondContact O-N 3.38Å; K577-N581 PolarHBondContact O-ND2 3.15Å; F579-N581 VanDerWaalsContact C-N 3.29Å; F579-N581 PolarHBondContact O-N 3.18Å; N581-K584 PolarHBondContact O-N 3.44Å; N581-K585 WeakPolarHBondContact O-CG 3.3Å; N581-K585 PolarHBondContact O-N 2.98Å; N581-K585 VanDerWaalsContact O-N 3.09Å
582S82.5Confident82.4Confident46 Ų4632.8 Ų32.832%0.32218%0.175SC..Hα-helixtrans-64.4-46.2177.1-57.60000111.6D578 F579 K584 K585 L586D578-S582 PolarHBondContact O-N 3.39Å; D578-S582 VanDerWaalsContact O-N 3.11Å; D578-S582 PolarHBondContact O-OG 3.41Å; F579-S582 WeakPolarHBondContact O-CB 3.15Å; F579-S582 PolarHBondContact O-N 3.1Å; F579-S582 VanDerWaalsContact O-N 3.09Å; S582-K584 PolarHBondContact O-N 2.85Å; S582-K585 PolarHBondContact O-N 3.32Å; S582-L586 PolarHBondContact O-N 2.69Å; S582-L586 VanDerWaalsContact O-N 3.15Å
583F83.5Confident81.5Confident6 Ų633.9 Ų33.93%0.02618%0.182CC..Hα-helixtrans-62.5-43.5177.3-171-104.2000111.7M491 Y506 L540 F579 L580 K585 L586 Y587 I592 L596M491-F583 HydrophobicContact SD-CZ 4.21Å; Y506-F583 AromaticContact CD1-CE2 3.74Å; Y506-F583 HydrophobicContact CD1-CE2 3.74Å; Y506-F583 HydrophobicContact CD1-CZ 4.06Å; L540-F583 HydrophobicContact CD2-CB 4.44Å; L540-F583 HydrophobicContact CD2-CD2 3.9Å; F579-F583 HydrophobicContact CD1-CB 4.48Å; F579-F583 HydrophobicContact CE1-CB 4.05Å; F579-F583 HydrophobicContact CE1-CD2 4.44Å; F579-F583 HydrophobicContact CE1-CG 4.24Å; F579-F583 HydrophobicContact CZ-CB 4.16Å; F579-F583 AromaticContact CZ-CD2 3.99Å; F579-F583 HydrophobicContact CZ-CD2 3.99Å; F579-F583 HydrophobicContact CZ-CG 4.22Å; F579-F583 WeakPolarHBondContact O-CB 3.46Å; F579-F583 PolarHBondContact O-N 2.95Å; L580-F583 PolarHBondContact O-N 2.94Å; F583-K585 PolarHBondContact O-N 2.83Å; F583-L586 WeakPolarHBondContact O-CB 3.42Å; F583-L586 PolarHBondContact O-N 3.29Å; F583-Y587 HydrophobicContact CD1-CD2 4.45Å; F583-Y587 HydrophobicContact CD2-CD2 4.25Å; F583-Y587 AromaticContact CD2-CE2 3.78Å; F583-Y587 HydrophobicContact CD2-CE2 3.78Å; F583-Y587 HydrophobicContact CE1-CD2 4.18Å; F583-Y587 HydrophobicContact CE1-CE2 4.24Å; F583-Y587 AromaticContact CE2-CD2 3.98Å; F583-Y587 HydrophobicContact CE2-CD2 3.98Å; F583-Y587 AromaticContact CE2-CE2 3.28Å; F583-Y587 HydrophobicContact CE2-CE2 3.28Å; F583-Y587 HydrophobicContact CG-CD2 4.48Å; F583-Y587 HydrophobicContact CG-CE2 4.44Å; F583-Y587 AromaticContact CZ-CD2 3.93Å; F583-Y587 HydrophobicContact CZ-CD2 3.93Å; F583-Y587 AromaticContact CZ-CE2 3.54Å; F583-Y587 HydrophobicContact CZ-CE2 3.54Å; F583-Y587 WeakPolarHBondContact O-CD2 3.43Å; F583-Y587 PolarHBondContact O-N 3.14Å; F583-I592 HydrophobicContact CE1-CD1 3.97Å; F583-L596 HydrophobicContact CD1-CD1 3.96Å
584K82.5Confident80.6Confident48 Ų4836.6 Ų36.621%0.20920%0.202CC..Hα-helixtrans-57.2-46.6175.2-174.5-175.6-177.4-171.90111.9L580 N581 S582 L586 K588 C593 L596 D597L580-K584 WeakPolarHBondContact O-CB 3.02Å; L580-K584 PolarHBondContact O-N 3.03Å; N581-K584 PolarHBondContact O-N 3.44Å; S582-K584 PolarHBondContact O-N 2.85Å; K584-L586 VanDerWaalsContact C-N 3.26Å; K584-L586 PolarHBondContact O-N 3.12Å; K584-K588 PolarHBondContact O-N 3.34Å; K584-C593 HydrophobicContact CD-CB 4.42Å; K584-C593 VanDerWaalsContact CE-CB 3.41Å; K584-C593 HydrophobicContact CG-CB 4.17Å; K584-C593 WeakPolarHBondContact CG-SG 3.3Å; K584-L596 HydrophobicContact CB-CD1 3.7Å; K584-L596 HydrophobicContact CG-CD1 4.13Å; K584-D597 IonicContact NZ-OD1 3.67Å; K584-D597 PolarHBondContact NZ-OD1 3.39Å; K584-D597 IonicContact NZ-OD2 3.09Å; K584-D597 PolarHBondContact NZ-OD2 3.47Å
585K78Confident79.7Confident108 Ų10838.2 Ų38.247%0.4721%0.208SC..Hα-helixtrans-64.5-30.1179.1-75.6-173.9-176-158.80113.2N581 S582 F583 K588 N664N581-K585 WeakPolarHBondContact O-CG 3.3Å; N581-K585 PolarHBondContact O-N 2.98Å; N581-K585 VanDerWaalsContact O-N 3.09Å; S582-K585 PolarHBondContact O-N 3.32Å; F583-K585 PolarHBondContact O-N 2.83Å; K585-K588 VanDerWaalsContact O-CG 3.26Å; K585-K588 WeakPolarHBondContact O-CG 3.35Å; K585-N664 HydrophobicContact CD-CB 4.31Å; K585-N664 WeakPolarHBondContact CD-OD1 3.06Å; K585-N664 WeakPolarHBondContact CE-OD1 3.31Å; K585-N664 VanDerWaalsContact NZ-CB 3.3Å; K585-N664 PolarHBondContact NZ-ND2 3.31Å; K585-N664 PolarHBondContact NZ-OD1 2.91Å
586L77.4Confident79.1Confident13 Ų1338.3 Ų38.37%0.06821%0.208CC..Hα-helixtrans-66-47.1-178.9-166.667000112A520 Q522 F538 L540 S582 F583 K584A520-L586 HydrophobicContact CB-CD2 3.91Å; Q522-L586 HydrophobicContact CB-CD1 3.68Å; Q522-L586 HydrophobicContact CB-CG 4.23Å; Q522-L586 HydrophobicContact CG-CD1 3.63Å; Q522-L586 HydrophobicContact CG-CG 4.23Å; F538-L586 HydrophobicContact CE1-CD1 3.91Å; F538-L586 HydrophobicContact CE1-CD2 4.31Å; F538-L586 HydrophobicContact CZ-CD1 3.66Å; F538-L586 HydrophobicContact CZ-CD2 4.09Å; L540-L586 HydrophobicContact CD2-CD2 4.48Å; S582-L586 PolarHBondContact O-N 2.69Å; S582-L586 VanDerWaalsContact O-N 3.15Å; F583-L586 WeakPolarHBondContact O-CB 3.42Å; F583-L586 PolarHBondContact O-N 3.29Å; K584-L586 VanDerWaalsContact C-N 3.26Å; K584-L586 PolarHBondContact O-N 3.12Å
587Y72.4Confident78.6Confident13 Ų1341.6 Ų41.65%0.05123%0.226CC..Hα-helixtrans-89.9-23.6-171.7-70.2-80.3000114.1S503 Y504 T505 C521 P523 F583 S589S503-Y587 WeakPolarHBondContact O-CE1 3.46Å; Y504-Y587 VanDerWaalsContact CA-CE1 3.45Å; T505-Y587 PolarHBondContact O-OH 3.13Å; C521-Y587 PolarHBondContact N-OH 2.94Å; C521-Y587 WeakPolarHBondContact O-CE1 3.16Å; C521-Y587 PolarHBondContact O-OH 3.17Å; P523-Y587 HydrophobicContact CB-CD1 4.48Å; P523-Y587 HydrophobicContact CG-CD1 3.59Å; P523-Y587 HydrophobicContact CG-CE1 4.04Å; P523-Y587 HydrophobicContact CG-CG 4.45Å; F583-Y587 HydrophobicContact CD1-CD2 4.45Å; F583-Y587 HydrophobicContact CD2-CD2 4.25Å; F583-Y587 AromaticContact CD2-CE2 3.78Å; F583-Y587 HydrophobicContact CD2-CE2 3.78Å; F583-Y587 HydrophobicContact CE1-CD2 4.18Å; F583-Y587 HydrophobicContact CE1-CE2 4.24Å; F583-Y587 AromaticContact CE2-CD2 3.98Å; F583-Y587 HydrophobicContact CE2-CD2 3.98Å; F583-Y587 AromaticContact CE2-CE2 3.28Å; F583-Y587 HydrophobicContact CE2-CE2 3.28Å; F583-Y587 HydrophobicContact CG-CD2 4.48Å; F583-Y587 HydrophobicContact CG-CE2 4.44Å; F583-Y587 AromaticContact CZ-CD2 3.93Å; F583-Y587 HydrophobicContact CZ-CD2 3.93Å; F583-Y587 AromaticContact CZ-CE2 3.54Å; F583-Y587 HydrophobicContact CZ-CE2 3.54Å; F583-Y587 WeakPolarHBondContact O-CD2 3.43Å; F583-Y587 PolarHBondContact O-N 3.14Å; Y587-S589 PolarHBondContact O-N 2.83Å
588K67Low78.3Confident97 Ų9746.6 Ų46.642%0.42225%0.248SC..  trans49.72.5178.3-61.6-174.4-178.7166.10116.9M69 K584 K585M69-K588 PolarHBondContact SD-NZ 2.88Å; K584-K588 PolarHBondContact O-N 3.34Å; K585-K588 VanDerWaalsContact O-CG 3.26Å; K585-K588 WeakPolarHBondContact O-CG 3.35Å
589S68.6Low78.2Confident34 Ų3445.6 Ų45.624%0.23824%0.242CC..  trans-70.8132.4179.71720000109.5Y587 S591 I592 C593Y587-S589 PolarHBondContact O-N 2.83Å; S589-S591 VanDerWaalsContact C-N 3.28Å; S589-S591 PolarHBondContact O-N 3.04Å; S589-S591 PolarHBondContact OG-OG 3.35Å; S589-I592 WeakPolarHBondContact O-CG2 3.45Å; S589-I592 PolarHBondContact O-N 3.06Å; S589-C593 VanDerWaalsContact O-CB 3.26Å; S589-C593 WeakPolarHBondContact O-CB 3.49Å; S589-C593 PolarHBondContact O-N 3.35Å; S589-C593 PolarHBondContact O-SG 2.87Å
590S69.6Low77.9Confident99 Ų9946.5 Ų46.569%0.69225%0.247SC*.Hα-helixtrans-63.4-35.7-17753.70000112.1S594S590-S594 WeakPolarHBondContact O-CB 3.39Å; S590-S594 PolarHBondContact O-N 3.02Å
591S69.4Low77.4Confident25 Ų2550.1 Ų50.118%0.17528%0.277CS..Hα-helixtrans-62.5-53.3179.157.60000110.8S589 S594 K595S589-S591 VanDerWaalsContact C-N 3.28Å; S589-S591 PolarHBondContact O-N 3.04Å; S589-S591 PolarHBondContact OG-OG 3.35Å; S591-S594 PolarHBondContact O-N 3.27Å; S591-S594 PolarHBondContact O-OG 2.98Å; S591-K595 PolarHBondContact O-N 2.81Å
592I72.1Confident76.9Confident3 Ų350.8 Ų50.82%0.01528%0.281CS..Hα-helixtrans-67.1-40.9179.1-163.9155.4000112.3Y504 F583 S589 S594 K595 L596Y504-I592 HydrophobicContact CD1-CD1 3.79Å; Y504-I592 HydrophobicContact CD2-CD1 3.12Å; Y504-I592 HydrophobicContact CD2-CG1 4.47Å; Y504-I592 HydrophobicContact CE1-CD1 4.05Å; Y504-I592 HydrophobicContact CE2-CD1 3.44Å; Y504-I592 VanDerWaalsContact CE2-CD1 3.44Å; Y504-I592 HydrophobicContact CE2-CG1 4.47Å; Y504-I592 HydrophobicContact CG-CD1 3.3Å; F583-I592 HydrophobicContact CE1-CD1 3.97Å; S589-I592 WeakPolarHBondContact O-CG2 3.45Å; S589-I592 PolarHBondContact O-N 3.06Å; I592-S594 VanDerWaalsContact C-N 3.27Å; I592-S594 PolarHBondContact O-N 2.84Å; I592-K595 PolarHBondContact O-N 3.43Å; I592-K595 VanDerWaalsContact O-N 3.09Å; I592-L596 HydrophobicContact CG1-CD1 3.91Å; I592-L596 HydrophobicContact CG1-CG 3.99Å; I592-L596 WeakPolarHBondContact O-CB 3.46Å; I592-L596 WeakPolarHBondContact O-CG 3.47Å; I592-L596 PolarHBondContact O-N 2.98Å
593C76.1Confident76.2Confident22 Ų2255.8 Ų55.815%0.14930%0.304CS..Hα-helixtrans-56.6-44.6178.8-750000111K584 S589 K595 L596 D597K584-C593 HydrophobicContact CD-CB 4.42Å; K584-C593 VanDerWaalsContact CE-CB 3.41Å; K584-C593 HydrophobicContact CG-CB 4.17Å; K584-C593 WeakPolarHBondContact CG-SG 3.3Å; S589-C593 VanDerWaalsContact O-CB 3.26Å; S589-C593 WeakPolarHBondContact O-CB 3.49Å; S589-C593 PolarHBondContact O-N 3.35Å; S589-C593 PolarHBondContact O-SG 2.87Å; C593-K595 VanDerWaalsContact C-N 3.31Å; C593-K595 PolarHBondContact O-N 3.02Å; C593-L596 PolarHBondContact O-N 2.83Å; C593-D597 WeakPolarHBondContact O-CB 3.29Å; C593-D597 PolarHBondContact O-N 3.46Å; C593-D597 VanDerWaalsContact O-OD2 3.08Å
594S78.3Confident76Confident60 Ų6062.3 Ų62.342%0.4234%0.339SS..Hα-helixtrans-63.5-35.2178.976.50000113.3S590 S591 I592 D597 K598S590-S594 WeakPolarHBondContact O-CB 3.39Å; S590-S594 PolarHBondContact O-N 3.02Å; S591-S594 PolarHBondContact O-N 3.27Å; S591-S594 PolarHBondContact O-OG 2.98Å; I592-S594 VanDerWaalsContact C-N 3.27Å; I592-S594 PolarHBondContact O-N 2.84Å; S594-D597 PolarHBondContact O-N 2.89Å; S594-K598 WeakPolarHBondContact O-CG 3.43Å; S594-K598 PolarHBondContact O-N 2.93Å; S594-K598 VanDerWaalsContact O-N 3.16Å
595K76.6Confident76.1Confident44 Ų4460.7 Ų60.719%0.19133%0.332CS..Hα-helixtrans-78-41.6-179.1-152.8161.7-172.8177.80111F494 E497 S591 I592 C593 D597 K598 I599F494-K595 HydrophobicContact CD2-CD 4.5Å; F494-K595 HydrophobicContact CG-CD 4.38Å; E497-K595 IonicContact OE2-NZ 3.41Å; E497-K595 PolarHBondContact OE2-NZ 2.92Å; S591-K595 PolarHBondContact O-N 2.81Å; I592-K595 PolarHBondContact O-N 3.43Å; I592-K595 VanDerWaalsContact O-N 3.09Å; C593-K595 VanDerWaalsContact C-N 3.31Å; C593-K595 PolarHBondContact O-N 3.02Å; K595-D597 PolarHBondContact O-N 2.95Å; K595-K598 WeakPolarHBondContact O-CB 3.43Å; K595-K598 PolarHBondContact O-N 3.44Å; K595-I599 WeakPolarHBondContact O-CG1 3.42Å; K595-I599 PolarHBondContact O-N 3.31Å
596L80Confident76.5Confident2 Ų256.2 Ų56.21%0.0131%0.314CS..Hα-helixtrans-59.8-36.6169.8-67.4180000111.5L580 F583 K584 I592 C593 I599 L600L580-L596 HydrophobicContact CD2-CD2 3.96Å; F583-L596 HydrophobicContact CD1-CD1 3.96Å; K584-L596 HydrophobicContact CB-CD1 3.7Å; K584-L596 HydrophobicContact CG-CD1 4.13Å; I592-L596 HydrophobicContact CG1-CD1 3.91Å; I592-L596 HydrophobicContact CG1-CG 3.99Å; I592-L596 WeakPolarHBondContact O-CB 3.46Å; I592-L596 WeakPolarHBondContact O-CG 3.47Å; I592-L596 PolarHBondContact O-N 2.98Å; C593-L596 PolarHBondContact O-N 2.83Å; L596-I599 PolarHBondContact O-N 2.9Å; L596-L600 VanDerWaalsContact O-CB 3.27Å; L596-L600 WeakPolarHBondContact O-CB 3.16Å; L596-L600 VanDerWaalsContact O-CG 3.23Å; L596-L600 WeakPolarHBondContact O-CG 3.4Å; L596-L600 PolarHBondContact O-N 2.89Å
597D82Confident76.9Confident71 Ų7157.7 Ų57.738%0.3832%0.324SS..Hα-helixtrans-65.1-39.3174.9-75.8-30.5000112.7K584 C593 S594 K595 I599 L600 A601K584-D597 IonicContact NZ-OD1 3.67Å; K584-D597 PolarHBondContact NZ-OD1 3.39Å; K584-D597 IonicContact NZ-OD2 3.09Å; K584-D597 PolarHBondContact NZ-OD2 3.47Å; C593-D597 WeakPolarHBondContact O-CB 3.29Å; C593-D597 PolarHBondContact O-N 3.46Å; C593-D597 VanDerWaalsContact O-OD2 3.08Å; S594-D597 PolarHBondContact O-N 2.89Å; K595-D597 PolarHBondContact O-N 2.95Å; D597-I599 VanDerWaalsContact C-N 3.32Å; D597-I599 PolarHBondContact O-N 3.39Å; D597-L600 PolarHBondContact O-N 2.85Å; D597-A601 WeakPolarHBondContact O-CB 3.46Å; D597-A601 PolarHBondContact O-N 2.8Å
598K82.9Confident77.6Confident159 Ų15957.2 Ų57.269%0.69132%0.323SS*.Hα-helixtrans-62.5-41.2172.8-70.6175.6-177.71790111.8S594 K595 A601S594-K598 WeakPolarHBondContact O-CG 3.43Å; S594-K598 PolarHBondContact O-N 2.93Å; S594-K598 VanDerWaalsContact O-N 3.16Å; K595-K598 WeakPolarHBondContact O-CB 3.43Å; K595-K598 PolarHBondContact O-N 3.44Å; K598-A601 PolarHBondContact O-N 2.93Å
599I81.3Confident78.8Confident31 Ų3152.7 Ų52.716%0.15930%0.303CS..Hα-helixtrans-68.2-43.3178.4-70.2171.2000110.4F494 I559 L580 K595 L596 D597 A601 D602 I605F494-I599 HydrophobicContact CD1-CD1 4.45Å; F494-I599 HydrophobicContact CE1-CD1 3.51Å; F494-I599 HydrophobicContact CZ-CD1 4.05Å; I559-I599 HydrophobicContact CD1-CG2 4.45Å; I559-I599 HydrophobicContact CG2-CG2 4.3Å; L580-I599 HydrophobicContact CD1-CG2 3.83Å; K595-I599 WeakPolarHBondContact O-CG1 3.42Å; K595-I599 PolarHBondContact O-N 3.31Å; L596-I599 PolarHBondContact O-N 2.9Å; D597-I599 VanDerWaalsContact C-N 3.32Å; D597-I599 PolarHBondContact O-N 3.39Å; I599-A601 VanDerWaalsContact C-N 3.3Å; I599-A601 PolarHBondContact O-N 3.17Å; I599-D602 WeakPolarHBondContact O-CB 3.49Å; I599-D602 PolarHBondContact O-N 3Å; I599-D602 VanDerWaalsContact O-N 3.08Å; I599-I605 HydrophobicContact CB-CD1 4.43Å; I599-I605 HydrophobicContact CG2-CD1 3.21Å; I599-I605 WeakPolarHBondContact O-CD1 3.42Å
600L82Confident79.7Confident29 Ų2954.3 Ų54.315%0.15231%0.312CS..Hα-helixtrans-66.5-29.6177-78.3166.2000113.2K577 L580 L596 D597 D602K577-L600 HydrophobicContact CB-CD2 4.09Å; K577-L600 HydrophobicContact CG-CD2 3.96Å; L580-L600 HydrophobicContact CB-CD1 4.49Å; L580-L600 HydrophobicContact CB-CD2 3.83Å; L580-L600 HydrophobicContact CB-CG 4.24Å; L580-L600 HydrophobicContact CD1-CD2 3.91Å; L580-L600 HydrophobicContact CD1-CG 4.16Å; L596-L600 VanDerWaalsContact O-CB 3.27Å; L596-L600 WeakPolarHBondContact O-CB 3.16Å; L596-L600 VanDerWaalsContact O-CG 3.23Å; L596-L600 WeakPolarHBondContact O-CG 3.4Å; L596-L600 PolarHBondContact O-N 2.89Å; D597-L600 PolarHBondContact O-N 2.85Å; L600-D602 PolarHBondContact O-N 3.32Å
601A78.7Confident80.4Confident78 Ų7851.3 Ų51.365%0.64529%0.287SS*.THydrogen-bonded Turntrans-70.5-15.4173.500000112.7D597 K598 I599 N603D597-A601 WeakPolarHBondContact O-CB 3.46Å; D597-A601 PolarHBondContact O-N 2.8Å; K598-A601 PolarHBondContact O-N 2.93Å; I599-A601 VanDerWaalsContact C-N 3.3Å; I599-A601 PolarHBondContact O-N 3.17Å; A601-N603 PolarHBondContact O-N 3.36Å
602D74.9Confident81Confident79 Ų7951.6 Ų51.642%0.42229%0.288SS..SBendtrans-74122.9172.4-160.9-18.7000110.1I599 L600 L604 I605I599-D602 WeakPolarHBondContact O-CB 3.49Å; I599-D602 PolarHBondContact O-N 3Å; I599-D602 VanDerWaalsContact O-N 3.08Å; L600-D602 PolarHBondContact O-N 3.32Å; D602-L604 PolarHBondContact O-N 3.07Å; D602-L604 VanDerWaalsContact O-N 3.13Å; D602-L604 WeakPolarHBondContact OD1-CG 3.14Å; D602-L604 PolarHBondContact OD1-N 3.46Å; D602-I605 PolarHBondContact O-N 3Å
603N66.9Low81.2Confident150 Ų15057.5 Ų57.580%0.80233%0.326SS*.THydrogen-bonded Turntrans-68.2-10.2-179.1-76.7-21.9000112.9A601 I605A601-N603 PolarHBondContact O-N 3.36Å; N603-I605 VanDerWaalsContact C-N 3.3Å; N603-I605 PolarHBondContact O-N 3.34Å
604L79.5Confident81.1Confident144 Ų14465.1 Ų65.175%0.75437%0.365SS*.THydrogen-bonded Turntrans-72.8-18.2-179.7-71.2164.3000114D602 P606D602-L604 PolarHBondContact O-N 3.07Å; D602-L604 VanDerWaalsContact O-N 3.13Å; D602-L604 WeakPolarHBondContact OD1-CG 3.14Å; D602-L604 PolarHBondContact OD1-N 3.46Å; L604-P606 WeakPolarHBondContact O-CD 3.39Å
605I84.4Confident81.1Confident13 Ų1363.3 Ų63.37%0.06736%0.356CS..SBendtrans-83.6122.2-176.5-54.6-173.3000111T575 K577 L580 I599 D602 N603T575-I605 HydrophobicContact CG2-CG2 4.38Å; K577-I605 WeakPolarHBondContact CE-O 3.42Å; K577-I605 HydrophobicContact CG-CB 4.31Å; K577-I605 HydrophobicContact CG-CG2 3.97Å; L580-I605 HydrophobicContact CD1-CD1 3.73Å; L580-I605 HydrophobicContact CD1-CG2 4.3Å; I599-I605 HydrophobicContact CB-CD1 4.43Å; I599-I605 HydrophobicContact CG2-CD1 3.21Å; I599-I605 WeakPolarHBondContact O-CD1 3.42Å; D602-I605 PolarHBondContact O-N 3Å; N603-I605 VanDerWaalsContact C-N 3.3Å; N603-I605 PolarHBondContact O-N 3.34Å
606P86.9Confident81.3Confident14 Ų1464.4 Ų64.49%0.09136%0.364CS..  trans-61.5148.7177.1-26.839.6000112.7T574 T576 K577 L604 I620 P679T574-P606 HydrophobicContact CG2-CG 4.23Å; T576-P606 CarbonylContact C-O 3.58Å; T576-P606 WeakPolarHBondContact CA-O 3.26Å; K577-P606 PolarHBondContact N-O 3.28Å; L604-P606 WeakPolarHBondContact O-CD 3.39Å; P606-I620 HydrophobicContact CB-CB 4.49Å; P606-I620 HydrophobicContact CB-CG1 4.06Å; P606-I620 HydrophobicContact CB-CG2 3.86Å; P606-I620 HydrophobicContact CG-CD1 3.89Å; P606-I620 HydrophobicContact CG-CG1 3.84Å; P606-I620 HydrophobicContact CG-CG2 4.38Å; P606-P679 HydrophobicContact CB-CG 3.88Å; P606-P679 HydrophobicContact CG-CG 3.65Å
607T86.3Confident81.5Confident45 Ų4565.2 Ų65.228%0.27637%0.369SS..SBendtrans-64.6-51.1174.941.80000111.2T576 K577 D578 I621T576-T607 WeakPolarHBondContact CB-O 3.22Å; K577-T607 HydrophobicContact CD-CG2 4.14Å; K577-T607 PolarHBondContact N-O 3.15Å; D578-T607 PolarHBondContact N-O 3.38Å; T607-I621 PolarHBondContact OG1-O 2.76Å
608G87Confident81.9Confident3 Ų362 Ų623%0.03135%0.352CS..  trans-154.9-179.8178.100000111.9I621G608-I621 PolarHBondContact O-N 2.91Å
609A90.7Very high82.3Confident1 Ų159.9 Ų59.91%0.00835%0.345CS..EExtended strand (participates in β ladder)trans-134.1153173.100000112.1N618 Q619 L677 P679A609-N618 HydrophobicContact CB-CB 4.45Å; A609-Q619 CarbonylContact C-O 3.53Å; A609-Q619 WeakPolarHBondContact CA-O 2.91Å; A609-Q619 WeakPolarHBondContact CB-O 3.39Å; A609-L677 HydrophobicContact CB-CB 4.08Å; A609-P679 HydrophobicContact CB-CB 3.9Å; A609-P679 HydrophobicContact CB-CG 4.19Å
610V88.8Confident82.5Confident68 Ų6863.3 Ų63.341%0.41236%0.362SS..EExtended strand (participates in β ladder)trans-132.1144.9175.872.80000109.6P612 Q619 I621V610-P612 WeakPolarHBondContact O-CD 3.46Å; V610-Q619 PolarHBondContact N-O 2.96Å; V610-Q619 PolarHBondContact O-N 2.97Å; V610-I621 HydrophobicContact CB-CD1 4.34Å; V610-I621 HydrophobicContact CB-CG1 4.04Å; V610-I621 HydrophobicContact CG1-CG1 4.24Å
611Q84.1Confident82.5Confident37 Ų3765.6 Ų65.617%0.17337%0.374CS..  trans-91.9117169.3-171.6176.517.100109I545 L677I545-Q611 PolarHBondContact O-NE2 3.39Å; I545-Q611 PolarHBondContact O-OE1 2.92Å; Q611-L677 HydrophobicContact CB-CD1 4.02Å
612P80.9Confident81.8Confident30 Ų3066.1 Ų66.120%0.19538%0.378CS..  trans-68.4145.4177.121.8-24.2000110.8V610 L614 G615 S617 Q619V610-P612 WeakPolarHBondContact O-CD 3.46Å; P612-L614 PolarHBondContact O-N 2.95Å; P612-G615 PolarHBondContact O-N 3.21Å; P612-S617 WeakPolarHBondContact CD-O 3.44Å; P612-Q619 HydrophobicContact CG-CG 4.22Å
613P76Confident80.8Confident127 Ų12765.3 Ų65.383%0.82538%0.378SS*.THydrogen-bonded Turntrans-56-31.5-171.1-26.632.8000115.3
614L75.6Confident79.3Confident182 Ų18263.2 Ų63.295%0.95337%0.373SS*.THydrogen-bonded Turntrans-106.52.1-179.4-70.1163.3000113P612P612-L614 PolarHBondContact O-N 2.95Å
615G77.8Confident77.4Confident23 Ų2360.3 Ų60.324%0.23737%0.365CS..  trans-110.4140.3-173.200000113.7P612 S617P612-G615 PolarHBondContact O-N 3.21Å; G615-S617 VanDerWaalsContact C-N 3.26Å; G615-S617 PolarHBondContact O-N 2.66Å
616L81.5Confident74.9Confident67 Ų6764.7 Ų64.735%0.35140%0.396SS..SBendtrans-90.420.1176.6-65.8170000112.9H546 Y548 R571H546-L616 PolarHBondContact CE1-O 3.41Å; H546-L616 VanDerWaalsContact CE1-O 3.31Å; H546-L616 PolarHBondContact ND1-O 2.94Å; Y548-L616 HydrophobicContact CD2-CD1 4.4Å; Y548-L616 HydrophobicContact CE2-CD1 3.76Å; R571-L616 PolarHBondContact NH1-O 2.7Å
617S84Confident72Confident18 Ų1871.9 Ų71.913%0.12643%0.434CS..SBendtrans-140.4128.2-174.5-71.50000109.3R571 P612 G615 Q619 E680 K683R571-S617 PolarHBondContact NH1-OG 3.04Å; P612-S617 WeakPolarHBondContact CD-O 3.44Å; G615-S617 VanDerWaalsContact C-N 3.26Å; G615-S617 PolarHBondContact O-N 2.66Å; S617-Q619 PolarHBondContact O-N 2.82Å; S617-E680 VanDerWaalsContact CB-OE2 3.25Å; S617-E680 WeakPolarHBondContact CB-OE2 3.08Å; S617-E680 PolarHBondContact OG-OE1 2.7Å; S617-E680 PolarHBondContact OG-OE2 3.4Å; S617-K683 WeakPolarHBondContact OG-CE 3.46Å; S617-K683 PolarHBondContact OG-NZ 3.35Å
618N90.6Very high69.1Low5 Ų576.7 Ų76.73%0.02746%0.458CS..  trans-68.2126.1173.2-65.6-8.7000109.5P543 F573 A609 W678 E680P543-N618 PolarHBondContact O-ND2 2.65Å; F573-N618 HydrophobicContact CE1-CB 4.32Å; A609-N618 HydrophobicContact CB-CB 4.45Å; N618-W678 WeakPolarHBondContact CB-O 3.28Å; N618-W678 PolarHBondContact ND2-O 3.49Å; N618-E680 WeakPolarHBondContact O-CB 3.38Å; N618-E680 PolarHBondContact O-N 2.94Å
619Q89.6Confident66.2Low114 Ų11484.4 Ų84.453%0.53350%0.499SS..EExtended strand (participates in β ladder)trans-104.9152.2179.2-64.5-173.21.700110.6A609 V610 P612 S617A609-Q619 CarbonylContact C-O 3.53Å; A609-Q619 WeakPolarHBondContact CA-O 2.91Å; A609-Q619 WeakPolarHBondContact CB-O 3.39Å; V610-Q619 PolarHBondContact N-O 2.96Å; V610-Q619 PolarHBondContact O-N 2.97Å; P612-Q619 HydrophobicContact CG-CG 4.22Å; S617-Q619 PolarHBondContact O-N 2.82Å
620I86.7Confident63.2Low103 Ų10391.7 Ų91.753%0.52854%0.538SS..EExtended strand (participates in β ladder)trans-66.9132.5175.2-64.7166.9000109P606 A622 P679P606-I620 HydrophobicContact CB-CB 4.49Å; P606-I620 HydrophobicContact CB-CG1 4.06Å; P606-I620 HydrophobicContact CB-CG2 3.86Å; P606-I620 HydrophobicContact CG-CD1 3.89Å; P606-I620 HydrophobicContact CG-CG1 3.84Å; P606-I620 HydrophobicContact CG-CG2 4.38Å; I620-A622 PolarHBondContact O-N 2.95Å; I620-P679 HydrophobicContact CG1-CB 3.58Å; I620-P679 HydrophobicContact CG1-CG 4.11Å
621I81.6Confident60.1Low76 Ų7695.4 Ų95.439%0.3956%0.555SS.*PPolyproline II helixtrans-72.4116.6167.1-63.3172.4000107.2T607 G608 V610 S623T607-I621 PolarHBondContact OG1-O 2.76Å; G608-I621 PolarHBondContact O-N 2.91Å; V610-I621 HydrophobicContact CB-CD1 4.34Å; V610-I621 HydrophobicContact CB-CG1 4.04Å; V610-I621 HydrophobicContact CG1-CG1 4.24Å; I621-S623 PolarHBondContact O-N 3.43Å
622A63.4Low57.5Low89 Ų8999.9 Ų99.974%0.73659%0.585SS**PPolyproline II helixtrans-60.1121.117700000109.5I620I620-A622 PolarHBondContact O-N 2.95Å
623S53.5Low55Low62 Ų62105.6 Ų105.643%0.43461%0.612SS.*PPolyproline II helixtrans-72.1136.917445.90000109.3I621 S625I621-S623 PolarHBondContact O-N 3.43Å; S623-S625 PolarHBondContact O-N 3Å
624P36.2Very low52.5Low107 Ų107107.2 Ų107.270%0.69561%0.614SS**  trans-73.584.8172.829.6-30.6000107.9
625S38.8Very low50.1Low83 Ų83103.1 Ų103.158%0.5860%0.6SS**  trans-131.3120.7172.556.70000112.2S623S623-S625 PolarHBondContact O-N 3Å
626S32.8Very low47.7Very low104 Ų104111.4 Ų111.473%0.72763%0.63SS**  trans48.897154.454.10000117.8N628S626-N628 VanDerWaalsContact C-N 3.26Å; S626-N628 PolarHBondContact O-N 2.88Å
627N25.5Very low44.9Very low165 Ų165115.2 Ų115.288%0.88265%0.651SS**  trans-46.295.7144.1-79.8-16.4000109.4
628N25.9Very low42.2Very low146 Ų146121.7 Ų121.778%0.78168%0.684SS**  trans-175.976.3150.9-91.9-14.6000106S626S626-N628 VanDerWaalsContact C-N 3.26Å; S626-N628 PolarHBondContact O-N 2.88Å
629D27.1Very low39.3Very low166 Ų166128.1 Ų128.189%0.88872%0.724SS**  trans-163.1105134.6-90-24.4000109N631D629-N631 PolarHBondContact O-N 3.41Å
630N26Very low36.3Very low154 Ų154131.1 Ų131.182%0.82474%0.738SS**  trans-64.9115.7169-73.2-38.8000108.7
631N25.4Very low33.5Very low146 Ų146132.8 Ų132.878%0.78175%0.748SS**  154.9146.7126.9-77.7-36.3000111.4D629D629-N631 PolarHBondContact O-N 3.41Å
632V27.8Very low31Very low131 Ų131136.9 Ų136.979%0.79477%0.771SS**  trans86.8113.1163-169.50000113.4
633I28.7Very low29.3Very low150 Ų150137 Ų13777%0.76977%0.766SS**  cis-159.7146.618.2-99.7157.1000110.1
634N24.2Very low28Very low160 Ų160140.5 Ų140.586%0.85678%0.78SS**  trans-63.3128.4168.7-71-31.6000114.3
635S25.6Very low27.6Very low96 Ų96143.5 Ų143.567%0.67179%0.785SS**  trans172.5118.1137.746.20000106.6
636F26.2Very low27.1Very low197 Ų197145.5 Ų145.586%0.86479%0.789SS**  -151.1133.952.8-87.6-100.1000110.5
637N23.6Very low26.9Very low147 Ų147149.5 Ų149.579%0.78680%0.796SS**  trans-90.8156.2162.1-85.2-14000110.3
638N26.2Very low27.2Very low155 Ų155152.7 Ų152.783%0.82980%0.797SS**  trans104.6113.6172.4-54.4-9.6000111.1
639T31.4Very low27.5Very low140 Ų140149.2 Ų149.286%0.85978%0.781SS**  cis-150.6161.635.141.70000113.3
640E26.1Very low27.8Very low176 Ų176145.7 Ų145.782%0.82276%0.762SS**  trans-62.6156.6-173.6-61161.2150.400116.2
641D27.2Very low28.2Very low139 Ų139144.5 Ų144.574%0.74376%0.756SS**  trans119.789144.7-67.4-17.4000117.3
642N30.6Very low28.5Very low161 Ų161145.6 Ų145.686%0.86175%0.753SS**  165.3134105.8-89.2-40.8000111.5
643S26.2Very low28.8Very low93 Ų93144.6 Ų144.665%0.6574%0.74SS**  trans-81.1156.8-178.453.80000113.2
644D26.1Very low29.1Very low134 Ų134143.2 Ų143.272%0.71773%0.729SS**  trans81.6127.2151.5-55.2-33.3000119.7
645H27.6Very low29.4Very low171 Ų171142.1 Ų142.179%0.79272%0.719SS**  trans89.790.1170-52.8-61.9000117.3
646N28.8Very low29.7Very low124 Ų124142.4 Ų142.466%0.66371%0.712SS**  166.283.1117.8-82.5-25.4000112.6
647E28.1Very low30Very low189 Ų189137.6 Ų137.688%0.88370%0.695SS**SBendtrans-98.24.7172.6-123.5180179.100114
648Y33.4Very low30.2Very low232 Ų232135.2 Ų135.291%0.9168%0.682SS**SBendtrans-114.81.5-174.9-101.7-89.1000116.1
649V32.2Very low30.6Very low73 Ų73134.6 Ų134.644%0.44267%0.672SS.*SBendtrans-103.6-18.2-178.8-177.20000113.3N651V649-N651 PolarHBondContact O-N 3.1Å
650N33.5Very low30.6Very low92 Ų92132.4 Ų132.449%0.49266%0.659SS.*Hα-helixtrans-73.2-12.3-168.2-79-16.1000116.8K654N650-K654 WeakPolarHBondContact O-CB 3.45Å; N650-K654 WeakPolarHBondContact O-CG 3.45Å; N650-K654 PolarHBondContact O-N 3.29Å
651N33Very low30.9Very low128 Ų128129.7 Ų129.768%0.68464%0.644SS**Hα-helixtrans-88.1-26-176.6-74.4-10.9000113.9V649V649-N651 PolarHBondContact O-N 3.1Å
652K33.3Very low31.2Very low169 Ų169127.3 Ų127.374%0.73564%0.635SS**Hα-helixtrans-86.1-28.1175.8-83.1-175.8175.1177.90113.3N656K652-N656 PolarHBondContact O-N 2.83Å
653E33.8Very low31.4Very low110 Ų110121 Ų12151%0.51460%0.603SS.*Hα-helixtrans-75-33.2172.9-72.5-177.916400112N656 L657E653-N656 PolarHBondContact O-N 3.18Å; E653-L657 WeakPolarHBondContact O-CD1 3.38Å; E653-L657 PolarHBondContact O-N 2.84Å
654K33.3Very low32.4Very low121 Ų121119 Ų11953%0.52659%0.586SS.*Hα-helixtrans-63.2-44.3173.2-93.7179.4172.2175.50113.7N650 N656 L657 D658N650-K654 WeakPolarHBondContact O-CB 3.45Å; N650-K654 WeakPolarHBondContact O-CG 3.45Å; N650-K654 PolarHBondContact O-N 3.29Å; K654-N656 PolarHBondContact O-N 2.91Å; K654-L657 PolarHBondContact O-N 3.11Å; K654-D658 PolarHBondContact O-N 3.23Å
655E31.6Very low33.9Very low138 Ų138117.7 Ų117.765%0.64558%0.575SS**Hα-helixtrans-67.8-25.1177.3-75.9-173.1163.300113.1K659E655-K659 PolarHBondContact O-N 2.79Å
656N32.7Very low35.7Very low101 Ų101110.3 Ų110.354%0.5454%0.541SS..Hα-helixtrans-83.2-35.9173.3-78.5-22.3000112.2K652 E653 K654 K659 V660K652-N656 PolarHBondContact O-N 2.83Å; E653-N656 PolarHBondContact O-N 3.18Å; K654-N656 PolarHBondContact O-N 2.91Å; N656-K659 PolarHBondContact O-N 3.05Å; N656-V660 VanDerWaalsContact O-CG2 3.22Å; N656-V660 WeakPolarHBondContact O-CG2 3.33Å; N656-V660 PolarHBondContact O-N 2.73Å
657L31.1Very low38.1Very low96 Ų96105.1 Ų105.150%0.50351%0.514SS..Hα-helixtrans-62.5-45.4172.1-106.387.1000111.2E653 K654 K659 V660 F661E653-L657 WeakPolarHBondContact O-CD1 3.38Å; E653-L657 PolarHBondContact O-N 2.84Å; K654-L657 PolarHBondContact O-N 3.11Å; L657-K659 PolarHBondContact O-N 2.87Å; L657-V660 PolarHBondContact O-N 2.91Å; L657-F661 HydrophobicContact CD2-CE2 4.02Å; L657-F661 HydrophobicContact CG-CE2 4.28Å; L657-F661 WeakPolarHBondContact O-CD2 3.49Å; L657-F661 PolarHBondContact O-N 3.32Å
658D29.3Very low40.8Very low97 Ų9797 Ų9752%0.51948%0.477SS..Hα-helixtrans-63.5-31.2178-76.6-20.3000111.8K654 T662K654-D658 PolarHBondContact O-N 3.23Å; D658-T662 VanDerWaalsContact O-CB 3.29Å; D658-T662 WeakPolarHBondContact O-CB 3.12Å; D658-T662 VanDerWaalsContact O-CG2 3.26Å; D658-T662 WeakPolarHBondContact O-CG2 3.18Å; D658-T662 PolarHBondContact O-N 2.94Å; D658-T662 PolarHBondContact O-OG1 2.88Å
659K32.9Very low43.4Very low142 Ų14286 Ų8662%0.61744%0.435SS*.Hα-helixtrans-72.6-31.1170.7-84.2176.8179.2169.80113.9E655 N656 L657 T662 S663E655-K659 PolarHBondContact O-N 2.79Å; N656-K659 PolarHBondContact O-N 3.05Å; L657-K659 PolarHBondContact O-N 2.87Å; K659-T662 WeakPolarHBondContact CA-OG1 3.37Å; K659-S663 PolarHBondContact O-N 2.86Å; K659-S663 VanDerWaalsContact O-N 3.16Å
660V32.5Very low45.9Very low95 Ų9584 Ų8458%0.57642%0.422SS*.Hα-helixtrans-75.6-32.3176.3170.60000111.4N656 L657 S663N656-V660 VanDerWaalsContact O-CG2 3.22Å; N656-V660 WeakPolarHBondContact O-CG2 3.33Å; N656-V660 PolarHBondContact O-N 2.73Å; L657-V660 PolarHBondContact O-N 2.91Å; V660-S663 PolarHBondContact O-OG 3.37Å
661F32.1Very low48.4Very low119 Ų11982.5 Ų82.552%0.52241%0.409SS..Hα-helixtrans-82.2-25.4174.2-74.8-74.2000113.1L657L657-F661 HydrophobicContact CD2-CE2 4.02Å; L657-F661 HydrophobicContact CG-CE2 4.28Å; L657-F661 WeakPolarHBondContact O-CD2 3.49Å; L657-F661 PolarHBondContact O-N 3.32Å
662T32.5Very low51.1Low88 Ų8876.5 Ų76.554%0.5438%0.377SS..SBendtrans-93.71.4176.857.80000114.9D658 K659 N664D658-T662 VanDerWaalsContact O-CB 3.29Å; D658-T662 WeakPolarHBondContact O-CB 3.12Å; D658-T662 VanDerWaalsContact O-CG2 3.26Å; D658-T662 WeakPolarHBondContact O-CG2 3.18Å; D658-T662 PolarHBondContact O-N 2.94Å; D658-T662 PolarHBondContact O-OG1 2.88Å; K659-T662 WeakPolarHBondContact CA-OG1 3.37Å; T662-N664 PolarHBondContact O-N 2.85Å; T662-N664 VanDerWaalsContact O-N 3.07Å; T662-N664 PolarHBondContact O-ND2 3.32Å
663S36.7Very low53.6Low28 Ų2868.9 Ų68.920%0.19634%0.344CS..  trans-70.8108.7170.266.90000109.5K659 V660 E665 R671K659-S663 PolarHBondContact O-N 2.86Å; K659-S663 VanDerWaalsContact O-N 3.16Å; V660-S663 PolarHBondContact O-OG 3.37Å; S663-E665 VanDerWaalsContact C-N 3.26Å; S663-E665 PolarHBondContact O-N 3.14Å; S663-R671 PolarHBondContact O-NH1 3.45Å
664N46.6Very low56Low53 Ų5366.6 Ų66.628%0.28333%0.333SS..  trans-78.975.6-177.4-75.5-101000109.4K585 T662K585-N664 HydrophobicContact CD-CB 4.31Å; K585-N664 WeakPolarHBondContact CD-OD1 3.06Å; K585-N664 WeakPolarHBondContact CE-OD1 3.31Å; K585-N664 VanDerWaalsContact NZ-CB 3.3Å; K585-N664 PolarHBondContact NZ-ND2 3.31Å; K585-N664 PolarHBondContact NZ-OD1 2.91Å; T662-N664 PolarHBondContact O-N 2.85Å; T662-N664 VanDerWaalsContact O-N 3.07Å; T662-N664 PolarHBondContact O-ND2 3.32Å
665E56.9Low58.5Low105 Ų10562.4 Ų62.449%0.49132%0.321SS..  trans-105152.4-179-71.8168.2-174.400109.9S663S663-E665 VanDerWaalsContact C-N 3.26Å; S663-E665 PolarHBondContact O-N 3.14Å
666L64.6Low61.4Low16 Ų1656.8 Ų56.88%0.08430%0.296CS..  trans-45.3142.1177.5-71.3154.7000110.3I70 L476 T668I70-L666 HydrophobicContact CB-CD2 4.5Å; I70-L666 HydrophobicContact CD1-CD2 4.21Å; I70-L666 HydrophobicContact CG2-CD1 4.49Å; I70-L666 HydrophobicContact CG2-CD2 3.72Å; I70-L666 HydrophobicContact CG2-CG 3.67Å; L476-L666 HydrophobicContact CD1-CB 4.36Å; L476-L666 HydrophobicContact CD1-CD2 3.6Å; L666-T668 PolarHBondContact O-N 2.98Å
667P79.5Confident64.3Low15 Ų1552 Ų5210%0.09727%0.271CS..  trans-61.5106.4177.524-31.2000109.1L476 P477 F538 E539 L672L476-P667 HydrophobicContact CD1-CG 4.29Å; P477-P667 WeakPolarHBondContact CD-O 3.38Å; F538-P667 HydrophobicContact CD2-CG 3.97Å; F538-P667 HydrophobicContact CE2-CG 3.93Å; E539-P667 WeakPolarHBondContact O-CG 3.32Å; P667-L672 HydrophobicContact CB-CD2 3.89Å; P667-L672 HydrophobicContact CB-CG 4.11Å
668T85.3Confident67.3Low18 Ų1847.5 Ų47.511%0.1125%0.247CC..  trans-82.4164.2168.966.60000109.5P474 L666 D670 R671 L672P474-T668 HydrophobicContact CB-CG2 3.68Å; P474-T668 HydrophobicContact CG-CG2 3.62Å; L666-T668 PolarHBondContact O-N 2.98Å; T668-D670 VanDerWaalsContact C-N 3.3Å; T668-D670 PolarHBondContact O-N 2.82Å; T668-R671 PolarHBondContact O-N 2.89Å; T668-R671 VanDerWaalsContact O-N 3.13Å; T668-R671 WeakPolarHBondContact OG1-CG 3.41Å; T668-R671 PolarHBondContact OG1-N 3.06Å; T668-L672 WeakPolarHBondContact O-CG 3.16Å; T668-L672 PolarHBondContact O-N 3.41Å
669E87.3Confident70.5Confident3 Ų342.9 Ų42.91%0.01422%0.222CC..Hα-helixtrans-59.2-42.3179.7-178.160.1-158.200111.5L437 S460 P477 T479 R542 R671 L672 Q673L437-E669 HydrophobicContact CD1-CG 3.56Å; S460-E669 WeakPolarHBondContact CB-OE2 3.46Å; S460-E669 WeakPolarHBondContact OG-CG 3.34Å; P477-E669 HydrophobicContact CB-CB 4.35Å; P477-E669 HydrophobicContact CG-CB 4.36Å; T479-E669 VanDerWaalsContact CG2-OE2 3.31Å; T479-E669 WeakPolarHBondContact CG2-OE2 3.39Å; R542-E669 IonicContact CZ-OE1 3.84Å; R542-E669 IonicContact NH1-OE1 3.06Å; R542-E669 PolarHBondContact NH1-OE1 2.9Å; R542-E669 IonicContact NH2-OE1 3.79Å; R542-E669 PolarHBondContact NH2-OE1 2.88Å; R542-E669 IonicContact NH2-OE2 3.8Å; R542-E669 PolarHBondContact NH2-OE2 3.18Å; E669-R671 VanDerWaalsContact C-N 3.31Å; E669-R671 PolarHBondContact O-N 3.34Å; E669-L672 WeakPolarHBondContact O-CB 3.33Å; E669-L672 PolarHBondContact O-N 2.76Å; E669-Q673 WeakPolarHBondContact O-CG 3.36Å; E669-Q673 PolarHBondContact O-N 3.33Å
670D85Confident73.4Confident31 Ų3137.6 Ų37.617%0.16620%0.2CC..Hα-helixtrans-58.3-42.5176-62.5-51.2000112.5H431 F432 T668 Q673 H674H431-D670 WeakPolarHBondContact CA-OD1 3.46Å; H431-D670 WeakPolarHBondContact CB-OD1 3.43Å; H431-D670 IonicContact CD2-OD1 3.21Å; H431-D670 PolarHBondContact CD2-OD1 3.32Å; H431-D670 VanDerWaalsContact CD2-OD1 3.24Å; H431-D670 IonicContact CD2-OD2 3.33Å; H431-D670 IonicContact CG-OD1 3.23Å; F432-D670 PolarHBondContact N-OD1 2.91Å; T668-D670 VanDerWaalsContact C-N 3.3Å; T668-D670 PolarHBondContact O-N 2.82Å; D670-Q673 PolarHBondContact O-N 3.08Å; D670-H674 PolarHBondContact O-N 3.42Å; D670-H674 VanDerWaalsContact O-N 3.16Å
671R86.9Confident76.3Confident60 Ų6036.8 Ų36.823%0.22620%0.195CC..Hα-helixtrans-68.6-41.1178.4-71.3-173.770.9108.75.8111.3S663 T668 E669 Q673 H674 A675 T676S663-R671 PolarHBondContact O-NH1 3.45Å; T668-R671 PolarHBondContact O-N 2.89Å; T668-R671 VanDerWaalsContact O-N 3.13Å; T668-R671 WeakPolarHBondContact OG1-CG 3.41Å; T668-R671 PolarHBondContact OG1-N 3.06Å; E669-R671 VanDerWaalsContact C-N 3.31Å; E669-R671 PolarHBondContact O-N 3.34Å; R671-Q673 PolarHBondContact O-N 3.11Å; R671-H674 PolarHBondContact O-N 2.94Å; R671-A675 HydrophobicContact CB-CB 4.24Å; R671-A675 HydrophobicContact CG-CB 4.46Å; R671-A675 WeakPolarHBondContact O-CA 3.39Å; R671-A675 WeakPolarHBondContact O-CB 3.34Å; R671-A675 PolarHBondContact O-N 3.3Å; R671-T676 PolarHBondContact O-N 2.78Å
672L89.9Confident79.2Confident1 Ų134.3 Ų34.31%0.00518%0.184CC..Hα-helixtrans-56.1-43175-72.1173000110P477 T479 E539 R542 P667 T668 E669 T676P477-L672 HydrophobicContact CG-CD1 4.21Å; T479-L672 HydrophobicContact CG2-CD1 4Å; E539-L672 HydrophobicContact CB-CD1 4.41Å; E539-L672 HydrophobicContact CG-CD1 4.18Å; E539-L672 HydrophobicContact CG-CD2 4Å; R542-L672 HydrophobicContact CB-CB 4.44Å; R542-L672 WeakPolarHBondContact CB-O 3.49Å; P667-L672 HydrophobicContact CB-CD2 3.89Å; P667-L672 HydrophobicContact CB-CG 4.11Å; T668-L672 WeakPolarHBondContact O-CG 3.16Å; T668-L672 PolarHBondContact O-N 3.41Å; E669-L672 WeakPolarHBondContact O-CB 3.33Å; E669-L672 PolarHBondContact O-N 2.76Å; L672-T676 WeakPolarHBondContact CA-OG1 3.46Å; L672-T676 HydrophobicContact CD2-CG2 4.38Å; L672-T676 PolarHBondContact O-OG1 3.17Å
673Q86.4Confident82.2Confident10 Ų1033.3 Ų33.35%0.04717%0.172CC..Hα-helixtrans-68-37.9-178.7-68-161.5-41.400115.3L437 I545 E669 D670 R671L437-Q673 HydrophobicContact CD1-CG 4.35Å; L437-Q673 VanDerWaalsContact CD1-OE1 3.29Å; I545-Q673 HydrophobicContact CD1-CB 4.25Å; I545-Q673 HydrophobicContact CD1-CG 4.48Å; I545-Q673 VanDerWaalsContact CD1-O 3.28Å; I545-Q673 WeakPolarHBondContact CD1-O 3.3Å; E669-Q673 WeakPolarHBondContact O-CG 3.36Å; E669-Q673 PolarHBondContact O-N 3.33Å; D670-Q673 PolarHBondContact O-N 3.08Å; R671-Q673 PolarHBondContact O-N 3.11Å
674H83.2Confident85.1Confident61 Ų6132.1 Ų32.128%0.28216%0.164SC..Hα-helixtrans-121.1-36.4-167.8-63.3-60.3000114.6G433 T435 D670 R671G433-H674 WeakPolarHBondContact CA-NE2 3.39Å; T435-H674 PolarHBondContact OG1-CE1 2.77Å; D670-H674 PolarHBondContact O-N 3.42Å; D670-H674 VanDerWaalsContact O-N 3.16Å; R671-H674 PolarHBondContact O-N 2.94Å
675A86.5Confident87.4Confident34 Ų3436.8 Ų36.828%0.28118%0.178SC..THydrogen-bonded Turntrans-96.5-17.2-170.100000113.7R671R671-A675 HydrophobicContact CB-CB 4.24Å; R671-A675 HydrophobicContact CG-CB 4.46Å; R671-A675 WeakPolarHBondContact O-CA 3.39Å; R671-A675 WeakPolarHBondContact O-CB 3.34Å; R671-A675 PolarHBondContact O-N 3.3Å
676T91.5Very high89.2Confident20 Ų2033 Ų3312%0.12317%0.168CC..SBendtrans-103.311.1-177.771.30000114.4A541 R542 R671 L672A541-T676 WeakPolarHBondContact CA-OG1 3.47Å; A541-T676 HydrophobicContact CB-CG2 4.42Å; R542-T676 PolarHBondContact N-OG1 3.37Å; R671-T676 PolarHBondContact O-N 2.78Å; L672-T676 WeakPolarHBondContact CA-OG1 3.46Å; L672-T676 HydrophobicContact CD2-CG2 4.38Å; L672-T676 PolarHBondContact O-OG1 3.17Å
677L93.6Very high90.7Very high1 Ų132.9 Ų32.91%0.00517%0.167CC..  trans-64.2149.1176.3-66169.1000111.2I545 T576 A609 Q611I545-L677 HydrophobicContact CB-CD2 4.46Å; I545-L677 HydrophobicContact CD1-CD2 4.43Å; I545-L677 HydrophobicContact CG1-CD2 4.16Å; T576-L677 WeakPolarHBondContact CG2-O 3.47Å; A609-L677 HydrophobicContact CB-CB 4.08Å; Q611-L677 HydrophobicContact CB-CD1 4.02Å
678W95.4Very high91.5Very high0 Ų034 Ų340%017%0.174CC..  trans-107.9135.9174.8-78.328.1000109.3L518 P543 Y561 F573 T574 T575 F579 N618L518-W678 HydrophobicContact CD1-CH2 4.39Å; L518-W678 HydrophobicContact CD1-CZ2 3.93Å; P543-W678 HydrophobicContact CB-CB 3.88Å; P543-W678 HydrophobicContact CB-CD2 3.98Å; P543-W678 HydrophobicContact CB-CG 3.66Å; P543-W678 HydrophobicContact CG-CD2 4.27Å; P543-W678 HydrophobicContact CG-CG 4.27Å; P543-W678 PolarHBondContact O-N 2.91Å; Y561-W678 HydrophobicContact CD1-CD2 4.5Å; Y561-W678 AromaticContact CD1-CE3 3.53Å; Y561-W678 HydrophobicContact CD1-CE3 3.53Å; Y561-W678 AromaticContact CD1-CZ3 3.65Å; Y561-W678 HydrophobicContact CD1-CZ3 3.65Å; Y561-W678 HydrophobicContact CE1-CB 4.38Å; Y561-W678 HydrophobicContact CE1-CD2 4.08Å; Y561-W678 AromaticContact CE1-CE3 3.48Å; Y561-W678 HydrophobicContact CE1-CE3 3.48Å; Y561-W678 VanDerWaalsContact CE1-CE3 3.48Å; Y561-W678 HydrophobicContact CE1-CZ3 4.07Å; F573-W678 HydrophobicContact CB-CB 4.44Å; F573-W678 HydrophobicContact CD1-CB 4.46Å; F573-W678 WeakPolarHBondContact CD1-O 3.46Å; T574-W678 VanDerWaalsContact O-CB 3.22Å; T574-W678 WeakPolarHBondContact O-CB 3.34Å; T575-W678 WeakPolarHBondContact OG1-CZ2 3.43Å; F579-W678 AromaticContact CD1-CZ2 3.68Å; F579-W678 HydrophobicContact CD1-CZ2 3.68Å; F579-W678 HydrophobicContact CD2-CZ2 4.21Å; F579-W678 AromaticContact CD2-NE1 3.94Å; F579-W678 HydrophobicContact CE1-CH2 4.3Å; F579-W678 AromaticContact CE1-CZ2 3.61Å; F579-W678 HydrophobicContact CE1-CZ2 3.61Å; F579-W678 HydrophobicContact CE2-CZ2 4.15Å; F579-W678 AromaticContact CG-CZ2 3.97Å; F579-W678 HydrophobicContact CG-CZ2 3.97Å; F579-W678 AromaticContact CG-NE1 3.77Å; F579-W678 AromaticContact CZ-CZ2 3.85Å; F579-W678 HydrophobicContact CZ-CZ2 3.85Å; N618-W678 WeakPolarHBondContact CB-O 3.28Å; N618-W678 PolarHBondContact ND2-O 3.49Å
679P94.8Very high92Very high0 Ų037.2 Ų37.20%018%0.184CC..  trans-72.7141.7-178.822.7-28000111.9F573 T574 T576 P606 A609 I620F573-P679 WeakPolarHBondContact CA-O 3.38Å; T574-P679 HydrophobicContact CG2-CG 3.86Å; T574-P679 PolarHBondContact N-O 3.13Å; T574-P679 VanDerWaalsContact N-O 3.16Å; T574-P679 VanDerWaalsContact O-CD 3.22Å; T574-P679 WeakPolarHBondContact O-CD 3.43Å; T576-P679 HydrophobicContact CG2-CG 4.4Å; P606-P679 HydrophobicContact CB-CG 3.88Å; P606-P679 HydrophobicContact CG-CG 3.65Å; A609-P679 HydrophobicContact CB-CB 3.9Å; A609-P679 HydrophobicContact CB-CG 4.19Å; I620-P679 HydrophobicContact CG1-CB 3.58Å; I620-P679 HydrophobicContact CG1-CG 4.11Å
680E94.9Very high92.5Very high32 Ų3240.2 Ų40.215%0.1520%0.199CC..EExtended strand (participates in β ladder)trans-77.2124.7172.2-169.3-165.7108.900109.5R571 F573 S617 N618 K683R571-E680 HydrophobicContact CB-CG 4.5Å; R571-E680 IonicContact CZ-OE2 3.49Å; R571-E680 IonicContact NH1-OE2 3.71Å; R571-E680 PolarHBondContact NH1-OE2 3.38Å; F573-E680 HydrophobicContact CD1-CB 4.16Å; F573-E680 HydrophobicContact CE1-CB 3.8Å; F573-E680 HydrophobicContact CE1-CG 4.27Å; F573-E680 HydrophobicContact CZ-CB 4.27Å; F573-E680 HydrophobicContact CZ-CG 4.26Å; S617-E680 VanDerWaalsContact CB-OE2 3.25Å; S617-E680 WeakPolarHBondContact CB-OE2 3.08Å; S617-E680 PolarHBondContact OG-OE1 2.7Å; S617-E680 PolarHBondContact OG-OE2 3.4Å; N618-E680 WeakPolarHBondContact O-CB 3.38Å; N618-E680 PolarHBondContact O-N 2.94Å; E680-K683 WeakPolarHBondContact OE1-CE 3.4Å; E680-K683 WeakPolarHBondContact OE1-CG 3.17Å; E680-K683 IonicContact OE1-NZ 3.21Å
681V92.5Very high93.1Very high77 Ų7738.8 Ų38.847%0.46719%0.191SC..EExtended strand (participates in β ladder)trans-95.1-38.2-179.6-176.30000111.3F560 V572 T574F560-V681 HydrophobicContact CE1-CG2 4.33Å; V572-V681 PolarHBondContact O-N 3.4Å; T574-V681 HydrophobicContact CG2-CG2 3.46Å; T574-V681 VanDerWaalsContact CG2-CG2 3.46Å
682K94.5Very high93.6Very high68 Ų6839 Ų3930%0.29619%0.192SC..EExtended strand (participates in β ladder)trans-151.9143.5-174-158.474.3180-165.60113.1R571 V572 L684 N725 W726R571-K682 WeakPolarHBondContact CA-O 3.17Å; V572-K682 HydrophobicContact CB-CB 4.05Å; V572-K682 HydrophobicContact CG2-CB 4.03Å; V572-K682 PolarHBondContact N-O 3.15Å; V572-K682 PolarHBondContact O-N 3.31Å; K682-L684 HydrophobicContact CB-CD2 4.2Å; K682-L684 HydrophobicContact CG-CD2 3.65Å; K682-N725 PolarHBondContact NZ-OD1 2.91Å; K682-W726 HydrophobicContact CG-CB 4.23Å; K682-W726 HydrophobicContact CG-CG 4.2Å
683K95.1Very high93.9Very high66 Ų6639 Ų3929%0.28719%0.192SC..EExtended strand (participates in β ladder)trans-104.2126.3164.9-62.8-171.7-174.6-176.80110.1V569 S617 E680 Y685V569-K683 HydrophobicContact CG1-CB 3.71Å; V569-K683 HydrophobicContact CG1-CG 4.23Å; S617-K683 WeakPolarHBondContact OG-CE 3.46Å; S617-K683 PolarHBondContact OG-NZ 3.35Å; E680-K683 WeakPolarHBondContact OE1-CE 3.4Å; E680-K683 WeakPolarHBondContact OE1-CG 3.17Å; E680-K683 IonicContact OE1-NZ 3.21Å; K683-Y685 HydrophobicContact CB-CD2 4.19Å; K683-Y685 HydrophobicContact CB-CE2 3.45Å; K683-Y685 VanDerWaalsContact CB-CE2 3.45Å; K683-Y685 HydrophobicContact CD-CE2 4.39Å; K683-Y685 VanDerWaalsContact CD-OH 3.3Å; K683-Y685 WeakPolarHBondContact CD-OH 3.45Å
684L96.7Very high94.5Very high4 Ų438.9 Ų38.92%0.02119%0.192CC..EExtended strand (participates in β ladder)trans-102.5111.5-179.3-43.7-172.2000109.3V570 V572 K682 W720 W726V570-L684 HydrophobicContact CB-CB 4.02Å; V570-L684 HydrophobicContact CB-CD1 4.07Å; V570-L684 HydrophobicContact CB-CG 4.18Å; V570-L684 HydrophobicContact CG1-CD1 4.1Å; V570-L684 PolarHBondContact N-O 3.31Å; V570-L684 PolarHBondContact O-N 2.82Å; V572-L684 HydrophobicContact CG2-CD1 4.05Å; V572-L684 HydrophobicContact CG2-CD2 4.1Å; V572-L684 HydrophobicContact CG2-CG 4.12Å; K682-L684 HydrophobicContact CB-CD2 4.2Å; K682-L684 HydrophobicContact CG-CD2 3.65Å; L684-W720 HydrophobicContact CB-CD2 4.01Å; L684-W720 HydrophobicContact CB-CE3 3.89Å; L684-W720 HydrophobicContact CB-CH2 3.93Å; L684-W720 HydrophobicContact CB-CZ2 4.04Å; L684-W720 HydrophobicContact CB-CZ3 3.83Å; L684-W720 HydrophobicContact CD1-CB 4.01Å; L684-W720 HydrophobicContact CD1-CD2 3.8Å; L684-W720 HydrophobicContact CD1-CE3 4.18Å; L684-W720 HydrophobicContact CD1-CG 3.73Å; L684-W720 HydrophobicContact CG-CD2 4.47Å; L684-W720 HydrophobicContact CG-CE3 4.46Å; L684-W726 HydrophobicContact CD1-CD2 4.46Å; L684-W726 HydrophobicContact CD1-CE3 3.96Å; L684-W726 HydrophobicContact CD2-CB 3.29Å; L684-W726 HydrophobicContact CD2-CD2 4.25Å; L684-W726 HydrophobicContact CD2-CG 3.77Å
685Y96.1Very high95.2Very high151 Ų15136.4 Ų36.459%0.59218%0.182SC*.EExtended strand (participates in β ladder)trans-104.8128.3-178.2-65.5-87.3000110.8V569 K683 W720V569-Y685 HydrophobicContact CG1-CE1 4.38Å; V569-Y685 HydrophobicContact CG2-CD1 3.67Å; V569-Y685 HydrophobicContact CG2-CE1 3.43Å; V569-Y685 VanDerWaalsContact CG2-CE1 3.43Å; K683-Y685 HydrophobicContact CB-CD2 4.19Å; K683-Y685 HydrophobicContact CB-CE2 3.45Å; K683-Y685 VanDerWaalsContact CB-CE2 3.45Å; K683-Y685 HydrophobicContact CD-CE2 4.39Å; K683-Y685 VanDerWaalsContact CD-OH 3.3Å; K683-Y685 WeakPolarHBondContact CD-OH 3.45Å; Y685-W720 WeakPolarHBondContact O-CH2 3.44Å
686G94.3Very high95.6Very high26 Ų2636 Ų3627%0.26818%0.176SC..  trans172.7-18.9176.700000116.1R731G686-R731 PolarHBondContact O-NH1 3.29Å; G686-R731 PolarHBondContact O-NH2 2.92Å
687H96.4Very high95.7Very high13 Ų1335.6 Ų35.66%0.0617%0.172CC..  trans-85.9145.1173.7-79-71.5000111.7I691 S705 C707 H716 I718H687-I691 HydrophobicContact CB-CD1 3.63Å; H687-I691 WeakPolarHBondContact CD2-CD1 3.44Å; H687-S705 PolarHBondContact CE1-O 3.23Å; H687-S705 PolarHBondContact NE2-O 3.03Å; H687-S705 PolarHBondContact NE2-OG 2.92Å; H687-C707 HydrophobicContact CB-CB 3.98Å; H687-H716 PolarHBondContact CE1-O 3.33Å; H687-H716 AromaticContact ND1-NE2 3.87Å; H687-I718 WeakPolarHBondContact NE2-CD1 3.28Å
688P95.1Very high95.5Very high39 Ų3938.6 Ų38.625%0.25319%0.192SC..SBendtrans-82.3-22-179.628.6-31.4000114.3K568 Y714K568-P688 VanDerWaalsContact CD-O 3.28Å; K568-P688 WeakPolarHBondContact CD-O 3.42Å; K568-P688 WeakPolarHBondContact CE-O 3.09Å; K568-P688 PolarHBondContact NZ-O 3.31Å; P688-Y714 HydrophobicContact CB-CD1 4.07Å; P688-Y714 HydrophobicContact CB-CE1 4.45Å; P688-Y714 HydrophobicContact CG-CD1 3.57Å; P688-Y714 HydrophobicContact CG-CE1 4.41Å; P688-Y714 HydrophobicContact CG-CG 3.99Å
689Y96.6Very high94.9Very high84 Ų8447.1 Ų47.133%0.32922%0.224SC..SBendtrans-133.3178-177.5-63.3-79.5000111.2K568 C707 T708 Y714K568-Y689 WeakPolarHBondContact CA-O 3.34Å; Y689-C707 WeakPolarHBondContact O-CB 3.42Å; Y689-T708 WeakPolarHBondContact CB-O 3.37Å; Y689-T708 WeakPolarHBondContact CB-OG1 3.41Å; Y689-Y714 HydrophobicContact CD2-CD2 4.2Å; Y689-Y714 HydrophobicContact CD2-CG 4.1Å; Y689-Y714 HydrophobicContact CE2-CD1 4.08Å; Y689-Y714 AromaticContact CE2-CD2 3.41Å; Y689-Y714 HydrophobicContact CE2-CD2 3.41Å; Y689-Y714 VanDerWaalsContact CE2-CD2 3.41Å; Y689-Y714 HydrophobicContact CE2-CE1 4.32Å; Y689-Y714 AromaticContact CE2-CE2 3.68Å; Y689-Y714 HydrophobicContact CE2-CE2 3.68Å; Y689-Y714 AromaticContact CE2-CG 3.63Å; Y689-Y714 HydrophobicContact CE2-CG 3.63Å
690E96.7Very high94.5Very high67 Ų6750.2 Ų50.231%0.31324%0.239SC..  trans-58137.318060.7-76.317000113.1E567 C707 T708E567-E690 VanDerWaalsContact O-CA 3.28Å; E567-E690 WeakPolarHBondContact O-CA 3.43Å; E690-C707 CarbonylContact O-C 3.56Å; E690-C707 WeakPolarHBondContact O-CA 3.29Å; E690-C707 VanDerWaalsContact O-CB 3.23Å; E690-C707 WeakPolarHBondContact O-CB 3.41Å; E690-T708 HydrophobicContact CG-CG2 3.74Å; E690-T708 WeakPolarHBondContact CG-OG1 3.17Å; E690-T708 PolarHBondContact O-N 2.77Å; E690-T708 PolarHBondContact O-OG1 3.13Å; E690-T708 WeakPolarHBondContact OE1-CB 3.21Å; E690-T708 WeakPolarHBondContact OE1-CG2 3.33Å; E690-T708 PolarHBondContact OE1-OG1 3.39Å
691I97.9Very high94.2Very high0 Ų051.1 Ų51.10%024%0.242CC..EExtended strand (participates in β ladder)trans-71.5131.6-179-52.6-60000109.3N551 A564 E567 V570 H687 L694 C707N551-I691 WeakPolarHBondContact CB-O 3.5Å; N551-I691 PolarHBondContact ND2-O 3.34Å; A564-I691 HydrophobicContact CB-CB 3.44Å; A564-I691 VanDerWaalsContact CB-CB 3.44Å; A564-I691 HydrophobicContact CB-CG1 3.86Å; A564-I691 HydrophobicContact CB-CG2 3.52Å; E567-I691 PolarHBondContact O-N 3.42Å; E567-I691 VanDerWaalsContact O-N 3.07Å; V570-I691 HydrophobicContact CG2-CD1 4Å; V570-I691 HydrophobicContact CG2-CG1 3.87Å; V570-I691 HydrophobicContact CG2-CG2 4.29Å; H687-I691 HydrophobicContact CB-CD1 3.63Å; H687-I691 WeakPolarHBondContact CD2-CD1 3.44Å; I691-L694 HydrophobicContact CG2-CD2 4.1Å; I691-L694 HydrophobicContact CG2-CG 4.37Å; I691-C707 HydrophobicContact CD1-CB 4.43Å
692Y97.3Very high94.3Very high66 Ų6647.5 Ų47.526%0.25922%0.22SC..EExtended strand (participates in β ladder)trans-102.3-39.7-178.4-168.7-85000112.7A706 T708 T738 V739 T740Y692-A706 PolarHBondContact N-O 3.16Å; Y692-T708 HydrophobicContact CD2-CG2 3.89Å; Y692-T738 HydrophobicContact CD1-CG2 4.03Å; Y692-T738 HydrophobicContact CD2-CG2 3.83Å; Y692-T738 HydrophobicContact CE2-CG2 4.36Å; Y692-T738 HydrophobicContact CG-CG2 3.63Å; Y692-V739 WeakPolarHBondContact CD1-O 3.36Å; Y692-T740 HydrophobicContact CE1-CG2 4.37Å; Y692-T740 WeakPolarHBondContact CE1-O 3.34Å
693C97.4Very high94.4Very high0 Ų044.2 Ų44.20%021%0.206CC..EExtended strand (participates in β ladder)trans-148154.6179.962.80000113.1S705 A706 V739C693-S705 WeakPolarHBondContact O-CA 3.14Å; C693-A706 PolarHBondContact N-O 3.14Å; C693-A706 PolarHBondContact O-N 3Å; C693-A706 VanDerWaalsContact O-N 3.09Å; C693-V739 PolarHBondContact SG-O 3.24Å
694L97.9Very high94.5Very high7 Ų741.1 Ų41.14%0.03719%0.192CC..EExtended strand (participates in β ladder)trans-129.1151.9178.2-64.8171.7000109.6A552 A554 V562 A564 V570 I691 V703 A704A552-L694 HydrophobicContact CB-CB 4.2Å; A552-L694 HydrophobicContact CB-CD1 3.88Å; A552-L694 HydrophobicContact CB-CG 3.77Å; A554-L694 HydrophobicContact CB-CB 4.28Å; V562-L694 HydrophobicContact CB-CD1 4.31Å; V562-L694 HydrophobicContact CG2-CD1 4.17Å; A564-L694 HydrophobicContact CB-CD1 4.13Å; V570-L694 HydrophobicContact CG1-CD1 4.31Å; V570-L694 HydrophobicContact CG1-CD2 3.91Å; V570-L694 HydrophobicContact CG2-CD2 3.88Å; I691-L694 HydrophobicContact CG2-CD2 4.1Å; I691-L694 HydrophobicContact CG2-CG 4.37Å; L694-V703 HydrophobicContact CD2-CG1 4.31Å; L694-A704 WeakPolarHBondContact CA-O 3.31Å
695A97.3Very high94.6Very high10 Ų1040.9 Ų40.98%0.08319%0.191CC..EExtended strand (participates in β ladder)trans-149.4140.7167.100000110A704 L742A695-A704 PolarHBondContact N-O 3.13Å; A695-A704 PolarHBondContact O-N 2.98Å; A695-L742 HydrophobicContact CB-CB 3.57Å
696V95.7Very high94.7Very high24 Ų2433.8 Ų33.815%0.14516%0.164CC..EExtended strand (participates in β ladder)trans-107.3137.2179.8179.50000110A554 I556 V562 V703A554-V696 HydrophobicContact CB-CG2 3.52Å; I556-V696 HydrophobicContact CB-CG1 4.35Å; I556-V696 HydrophobicContact CG1-CG1 4.39Å; I556-V696 HydrophobicContact CG1-CG2 3.86Å; I556-V696 HydrophobicContact CG2-CG1 4.09Å; V562-V696 HydrophobicContact CG2-CG2 4.2Å; V696-V703 HydrophobicContact CG2-CG2 4.13Å
697H94.5Very high94.8Very high12 Ų1232.6 Ų32.66%0.05615%0.151CC..  trans-66.5138174.8-177.3-79.4000110.5R699 E700 L702 W744 G748 Y782H697-R699 VanDerWaalsContact C-N 3.29Å; H697-R699 PolarHBondContact ND1-N 2.96Å; H697-R699 VanDerWaalsContact ND1-N 3.19Å; H697-R699 PolarHBondContact O-N 3.48Å; H697-E700 PolarHBondContact CE1-N 2.96Å; H697-E700 IonicContact CE1-OE2 2.79Å; H697-E700 WeakPolarHBondContact ND1-CB 3.02Å; H697-E700 PolarHBondContact ND1-N 3.42Å; H697-L702 HydrophobicContact CB-CB 3.81Å; H697-L702 HydrophobicContact CB-CD2 4.33Å; H697-L702 HydrophobicContact CB-CG 4.48Å; H697-L702 WeakPolarHBondContact CB-O 3.43Å; H697-L702 PolarHBondContact N-O 3.15Å; H697-W744 HydrophobicContact CB-CD2 4.21Å; H697-W744 HydrophobicContact CB-CZ2 4.22Å; H697-W744 AromaticContact CD2-CD2 3.99Å; H697-W744 AromaticContact CD2-CE3 3.62Å; H697-W744 AromaticContact CD2-CH2 3.93Å; H697-W744 AromaticContact CD2-CZ3 3.6Å; H697-G748 PolarHBondContact CD2-O 2.97Å; H697-G748 WeakPolarHBondContact NE2-CA 3.4Å; H697-G748 PolarHBondContact NE2-O 2.85Å; H697-Y782 PolarHBondContact CD2-OH 2.97Å; H697-Y782 PolarHBondContact NE2-OH 3.41Å
698P88.9Confident94.9Very high65 Ų6533.3 Ų33.342%0.42216%0.157SC..SBendtrans-69.4-18.3-168.926.2-37.1000115.4H746P698-H746 WeakPolarHBondContact CG-O 3.48Å
699R83.3Confident95Very high179 Ų17931.9 Ų31.968%0.67515%0.148SC*.SBendtrans-127.4-51.3-174.7-60.3179.8-175.2151.11.6113.5H697 D747H697-R699 VanDerWaalsContact C-N 3.29Å; H697-R699 PolarHBondContact ND1-N 2.96Å; H697-R699 VanDerWaalsContact ND1-N 3.19Å; H697-R699 PolarHBondContact O-N 3.48Å; R699-D747 PolarHBondContact NH1-O 3.5Å; R699-D747 VanDerWaalsContact NH1-O 3.11Å
700E85.4Confident95Very high64 Ų6432.2 Ų32.230%0.29916%0.163SC..SBendtrans-78.2151176.7-55.9-178.4149.700112.9H697 L702 L779H697-E700 PolarHBondContact CE1-N 2.96Å; H697-E700 IonicContact CE1-OE2 2.79Å; H697-E700 WeakPolarHBondContact ND1-CB 3.02Å; H697-E700 PolarHBondContact ND1-N 3.42Å; E700-L702 HydrophobicContact CB-CB 4.35Å; E700-L702 PolarHBondContact O-N 2.91Å; E700-L779 HydrophobicContact CB-CD2 4.41Å; E700-L779 WeakPolarHBondContact OE2-CD2 3.12Å
701F89.3Confident94.9Very high52 Ų5234 Ų3423%0.22817%0.169CC..SBendtrans-77.363.2177.2-151-126.8000110.7I556 F560 G722 N723 W726I556-F701 HydrophobicContact CB-CE2 4.24Å; I556-F701 HydrophobicContact CG2-CD2 3.34Å; I556-F701 HydrophobicContact CG2-CE2 3.19Å; I556-F701 HydrophobicContact CG2-CG 4.4Å; I556-F701 HydrophobicContact CG2-CZ 4.14Å; F560-F701 HydrophobicContact CD2-CE2 4.34Å; F560-F701 HydrophobicContact CD2-CZ 4.12Å; F560-F701 HydrophobicContact CG-CZ 4.18Å; F701-G722 VanDerWaalsContact CD1-CA 3.47Å; F701-G722 WeakPolarHBondContact O-CA 3.46Å; F701-G722 PolarHBondContact O-N 2.88Å; F701-N723 WeakPolarHBondContact CB-OD1 3.45Å; F701-W726 HydrophobicContact CD1-CH2 4.28Å; F701-W726 HydrophobicContact CD1-CZ2 4.12Å; F701-W726 AromaticContact CE1-CH2 3.93Å; F701-W726 HydrophobicContact CE1-CH2 3.93Å; F701-W726 AromaticContact CE1-CZ2 3.4Å; F701-W726 HydrophobicContact CE1-CZ2 3.4Å; F701-W726 VanDerWaalsContact CE1-CZ2 3.4Å; F701-W726 HydrophobicContact CZ-CH2 4.15Å; F701-W726 AromaticContact CZ-CZ2 3.72Å; F701-W726 HydrophobicContact CZ-CZ2 3.72Å
702L93.2Very high94.8Very high0 Ų037.4 Ų37.40%019%0.191CC..EExtended strand (participates in β ladder)trans-127.7129.8-171.5-175.374000110.5H697 E700 L719 W720 W744 L779 Y782H697-L702 HydrophobicContact CB-CB 3.81Å; H697-L702 HydrophobicContact CB-CD2 4.33Å; H697-L702 HydrophobicContact CB-CG 4.48Å; H697-L702 WeakPolarHBondContact CB-O 3.43Å; H697-L702 PolarHBondContact N-O 3.15Å; E700-L702 HydrophobicContact CB-CB 4.35Å; E700-L702 PolarHBondContact O-N 2.91Å; L702-L719 HydrophobicContact CD1-CB 4.13Å; L702-W720 WeakPolarHBondContact CA-O 3.26Å; L702-W720 WeakPolarHBondContact CD1-O 3.46Å; L702-W744 HydrophobicContact CD2-CH2 3.82Å; L702-W744 HydrophobicContact CD2-CZ2 3.87Å; L702-L779 HydrophobicContact CB-CD2 4.35Å; L702-L779 HydrophobicContact CD1-CD2 4Å; L702-L779 HydrophobicContact CD2-CD2 3.97Å; L702-L779 HydrophobicContact CG-CD2 4.34Å; L702-Y782 HydrophobicContact CD2-CE2 4.08Å
703V97Very high94.7Very high0 Ų038.7 Ų38.70%020%0.2CC..EExtended strand (participates in β ladder)trans-117129.5179.7174.20000110I556 V562 L694 V696 L719 W720 W726I556-V703 HydrophobicContact CD1-CG2 4.25Å; I556-V703 HydrophobicContact CG1-CG2 4.21Å; V562-V703 HydrophobicContact CG1-CG2 4.26Å; V562-V703 HydrophobicContact CG2-CG1 4.03Å; V562-V703 HydrophobicContact CG2-CG2 4.1Å; L694-V703 HydrophobicContact CD2-CG1 4.31Å; V696-V703 HydrophobicContact CG2-CG2 4.13Å; V703-L719 CarbonylContact O-C 3.57Å; V703-L719 WeakPolarHBondContact O-CA 3.45Å; V703-W720 HydrophobicContact CB-CB 4.32Å; V703-W720 PolarHBondContact N-O 2.94Å; V703-W720 PolarHBondContact O-N 3.19Å; V703-W726 HydrophobicContact CB-CZ3 4.16Å; V703-W726 HydrophobicContact CG2-CH2 3.96Å; V703-W726 HydrophobicContact CG2-CZ3 3.51Å
704A98Very high94.6Very high0 Ų041.4 Ų41.40%021%0.21CC..EExtended strand (participates in β ladder)trans-97141.9168.900000110.3L694 A695 I717 I718 L719 L742 W744 L751L694-A704 WeakPolarHBondContact CA-O 3.31Å; A695-A704 PolarHBondContact N-O 3.13Å; A695-A704 PolarHBondContact O-N 2.98Å; A704-I717 HydrophobicContact CB-CG2 4.27Å; A704-I718 CarbonylContact C-O 3.54Å; A704-I718 WeakPolarHBondContact CA-O 3.45Å; A704-L719 HydrophobicContact CB-CD2 3.61Å; A704-L742 HydrophobicContact CB-CD1 4Å; A704-W744 HydrophobicContact CB-CZ2 4.29Å; A704-L751 HydrophobicContact CB-CD1 4.48Å; A704-L751 HydrophobicContact CB-CD2 4.02Å
705S98.3Very high94.5Very high0 Ų041.1 Ų41.10%021%0.21CC..EExtended strand (participates in β ladder)trans-145.1146.7-179.961.80000111.8H687 C693 I717 I718 W720H687-S705 PolarHBondContact CE1-O 3.23Å; H687-S705 PolarHBondContact NE2-O 3.03Å; H687-S705 PolarHBondContact NE2-OG 2.92Å; C693-S705 WeakPolarHBondContact O-CA 3.14Å; S705-I717 WeakPolarHBondContact O-CA 3.41Å; S705-I718 PolarHBondContact N-O 3.11Å; S705-I718 PolarHBondContact O-N 3.09Å; S705-I718 PolarHBondContact OG-O 3.38Å; S705-W720 PolarHBondContact OG-NE1 3.34Å
706A98.1Very high94.4Very high1 Ų141.6 Ų41.61%0.00821%0.21CC..EExtended strand (participates in β ladder)trans-138.5146.7172.800000111.4Y692 C693 I717 V739 L742Y692-A706 PolarHBondContact N-O 3.16Å; C693-A706 PolarHBondContact N-O 3.14Å; C693-A706 PolarHBondContact O-N 3Å; C693-A706 VanDerWaalsContact O-N 3.09Å; A706-I717 HydrophobicContact CB-CG1 4.44Å; A706-V739 HydrophobicContact CB-CB 3.71Å; A706-V739 HydrophobicContact CB-CG1 4.19Å; A706-V739 HydrophobicContact CB-CG2 4.23Å; A706-L742 HydrophobicContact CB-CD1 4.29Å
707C97.4Very high94.5Very high1 Ų140.5 Ų40.51%0.00720%0.203CC..EExtended strand (participates in β ladder)trans-103.1170.1-179.9750000112.9H687 Y689 E690 I691 Y714H687-C707 HydrophobicContact CB-CB 3.98Å; Y689-C707 WeakPolarHBondContact O-CB 3.42Å; E690-C707 CarbonylContact O-C 3.56Å; E690-C707 WeakPolarHBondContact O-CA 3.29Å; E690-C707 VanDerWaalsContact O-CB 3.23Å; E690-C707 WeakPolarHBondContact O-CB 3.41Å; I691-C707 HydrophobicContact CD1-CB 4.43Å; C707-Y714 PolarHBondContact SG-O 3.19Å; C707-Y714 VanDerWaalsContact SG-O 3.38Å
708T97.5Very high94.7Very high29 Ų2940 Ų4018%0.17820%0.201CC..  trans-61.3135.9165.758.30000109.9Y689 E690 Y692Y689-T708 WeakPolarHBondContact CB-O 3.37Å; Y689-T708 WeakPolarHBondContact CB-OG1 3.41Å; E690-T708 HydrophobicContact CG-CG2 3.74Å; E690-T708 WeakPolarHBondContact CG-OG1 3.17Å; E690-T708 PolarHBondContact O-N 2.77Å; E690-T708 PolarHBondContact O-OG1 3.13Å; E690-T708 WeakPolarHBondContact OE1-CB 3.21Å; E690-T708 WeakPolarHBondContact OE1-CG2 3.33Å; E690-T708 PolarHBondContact OE1-OG1 3.39Å; Y692-T708 HydrophobicContact CD2-CG2 3.89Å
709A96.9Very high95.1Very high9 Ų936.9 Ų36.97%0.07418%0.181CC..  trans-148130-176.700000111.2A715 L737 T738A709-A715 HydrophobicContact CB-CB 3.75Å; A709-L737 CarbonylContact O-C 3.58Å; A709-L737 WeakPolarHBondContact O-CA 3.33Å; A709-T738 PolarHBondContact N-OG1 3.26Å; A709-T738 PolarHBondContact O-N 3.15Å; A709-T738 PolarHBondContact O-OG1 3.34Å
710S96.1Very high95.8Very high90 Ų9028.6 Ų28.663%0.62915%0.149SC*.SBendtrans-103.2-6169.457.30000112.8
711K95.9Very high96.1Very high104 Ų10425.8 Ų25.845%0.45214%0.136SC..SBendtrans-137.4150.3-178.8-62.4-176.4-175.1175.10111.1E713 Y714 A715 Q736K711-E713 HydrophobicContact CB-CG 3.85Å; K711-E713 HydrophobicContact CD-CG 4.36Å; K711-E713 WeakPolarHBondContact CD-OE1 3.48Å; K711-E713 IonicContact NZ-OE1 3.06Å; K711-E713 PolarHBondContact O-N 2.68Å; K711-Y714 HydrophobicContact CB-CD2 3.96Å; K711-Y714 HydrophobicContact CB-CE2 4.19Å; K711-Y714 HydrophobicContact CD-CE2 3.97Å; K711-Y714 HydrophobicContact CG-CE2 4.43Å; K711-Y714 PolarHBondContact O-N 2.73Å; K711-Y714 VanDerWaalsContact O-N 3.13Å; K711-A715 PolarHBondContact O-N 3.38Å; K711-Q736 CarbonylContact C-O 3.53Å; K711-Q736 VanDerWaalsContact C-O 3.28Å
712P94.9Very high96.2Very high72 Ų7223.9 Ų23.947%0.46813%0.131SC..THydrogen-bonded Turntrans-64.8-23.8-178.425.1-35.7000114.4Y714 Q733P712-Y714 PolarHBondContact O-N 3.36Å; P712-Q733 PolarHBondContact O-NE2 3.05Å; P712-Q733 VanDerWaalsContact O-NE2 3.11Å
713E94.8Very high95.9Very high94 Ų9429.1 Ų29.144%0.43916%0.159SC..THydrogen-bonded Turntrans-64.9-26.9175.854.9-174-169.500112.7K711 H716K711-E713 HydrophobicContact CB-CG 3.85Å; K711-E713 HydrophobicContact CD-CG 4.36Å; K711-E713 WeakPolarHBondContact CD-OE1 3.48Å; K711-E713 IonicContact NZ-OE1 3.06Å; K711-E713 PolarHBondContact O-N 2.68Å; E713-H716 PolarHBondContact O-ND1 3.11Å
714Y95.3Very high95.4Very high56 Ų5634.4 Ų34.422%0.2218%0.183CC..THydrogen-bonded Turntrans-102.4-17.8-178.2-50.5-46.7000113.5P688 Y689 C707 K711 P712 H716P688-Y714 HydrophobicContact CB-CD1 4.07Å; P688-Y714 HydrophobicContact CB-CE1 4.45Å; P688-Y714 HydrophobicContact CG-CD1 3.57Å; P688-Y714 HydrophobicContact CG-CE1 4.41Å; P688-Y714 HydrophobicContact CG-CG 3.99Å; Y689-Y714 HydrophobicContact CD2-CD2 4.2Å; Y689-Y714 HydrophobicContact CD2-CG 4.1Å; Y689-Y714 HydrophobicContact CE2-CD1 4.08Å; Y689-Y714 AromaticContact CE2-CD2 3.41Å; Y689-Y714 HydrophobicContact CE2-CD2 3.41Å; Y689-Y714 VanDerWaalsContact CE2-CD2 3.41Å; Y689-Y714 HydrophobicContact CE2-CE1 4.32Å; Y689-Y714 AromaticContact CE2-CE2 3.68Å; Y689-Y714 HydrophobicContact CE2-CE2 3.68Å; Y689-Y714 AromaticContact CE2-CG 3.63Å; Y689-Y714 HydrophobicContact CE2-CG 3.63Å; C707-Y714 PolarHBondContact SG-O 3.19Å; C707-Y714 VanDerWaalsContact SG-O 3.38Å; K711-Y714 HydrophobicContact CB-CD2 3.96Å; K711-Y714 HydrophobicContact CB-CE2 4.19Å; K711-Y714 HydrophobicContact CD-CE2 3.97Å; K711-Y714 HydrophobicContact CG-CE2 4.43Å; K711-Y714 PolarHBondContact O-N 2.73Å; K711-Y714 VanDerWaalsContact O-N 3.13Å; P712-Y714 PolarHBondContact O-N 3.36Å; Y714-H716 PolarHBondContact O-N 2.84Å
715A96.1Very high94.9Very high2 Ų239.8 Ų39.82%0.01721%0.212CC..  trans-7832.6-177.500000113.8A709 K711 H735 L737A709-A715 HydrophobicContact CB-CB 3.75Å; K711-A715 PolarHBondContact O-N 3.38Å; A715-H735 HydrophobicContact CB-CB 4.25Å; A715-H735 WeakPolarHBondContact CB-O 3.47Å; A715-L737 WeakPolarHBondContact CB-O 3.38Å
716H96.3Very high94.6Very high20 Ų2040.9 Ų40.99%0.09322%0.216CC..  trans-86.9145.5178.452.9-99.1000111.1H687 E713 Y714 R731 L732H687-H716 PolarHBondContact CE1-O 3.33Å; H687-H716 AromaticContact ND1-NE2 3.87Å; E713-H716 PolarHBondContact O-ND1 3.11Å; Y714-H716 PolarHBondContact O-N 2.84Å; H716-R731 PolarHBondContact CD2-NH1 2.88Å; H716-R731 PolarHBondContact NE2-NH1 2.82Å; H716-L732 CarbonylContact C-O 3.59Å; H716-L732 VanDerWaalsContact CA-O 3.32Å; H716-L732 WeakPolarHBondContact CA-O 3.44Å
717I98.1Very high94.4Very high1 Ų143.8 Ų43.81%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-93.8131.2172.4-55.3158.1000107.2A704 S705 A706 R731 L732 V739 L742 L751 A753A704-I717 HydrophobicContact CB-CG2 4.27Å; S705-I717 WeakPolarHBondContact O-CA 3.41Å; A706-I717 HydrophobicContact CB-CG1 4.44Å; I717-R731 CarbonylContact O-C 3.57Å; I717-R731 WeakPolarHBondContact O-CA 3.25Å; I717-L732 HydrophobicContact CB-CB 4.15Å; I717-L732 HydrophobicContact CB-CD1 4.44Å; I717-L732 HydrophobicContact CG2-CD1 4.43Å; I717-L732 PolarHBondContact N-O 2.94Å; I717-L732 PolarHBondContact O-N 2.86Å; I717-V739 HydrophobicContact CG1-CG2 4.24Å; I717-L742 HydrophobicContact CD1-CD2 3.76Å; I717-L742 HydrophobicContact CG1-CD2 4.08Å; I717-L742 HydrophobicContact CG2-CD1 4.07Å; I717-L742 HydrophobicContact CG2-CD2 4.08Å; I717-L751 HydrophobicContact CG2-CD2 4.38Å; I717-A753 HydrophobicContact CD1-CB 3.55Å
718I97.9Very high94.3Very high0 Ų046.6 Ų46.60%025%0.25CC..EExtended strand (participates in β ladder)trans-105.7127.9176.9-56.2-178.1000109H687 A704 S705 W720 I728 R731H687-I718 WeakPolarHBondContact NE2-CD1 3.28Å; A704-I718 CarbonylContact C-O 3.54Å; A704-I718 WeakPolarHBondContact CA-O 3.45Å; S705-I718 PolarHBondContact N-O 3.11Å; S705-I718 PolarHBondContact O-N 3.09Å; S705-I718 PolarHBondContact OG-O 3.38Å; I718-W720 HydrophobicContact CB-CZ2 4.14Å; I718-W720 HydrophobicContact CD1-CH2 4.46Å; I718-W720 HydrophobicContact CD1-CZ2 4Å; I718-W720 HydrophobicContact CG2-CD2 3.88Å; I718-W720 VanDerWaalsContact CG2-CE2 3.47Å; I718-W720 HydrophobicContact CG2-CE3 4.36Å; I718-W720 HydrophobicContact CG2-CG 4.37Å; I718-W720 HydrophobicContact CG2-CH2 4.12Å; I718-W720 HydrophobicContact CG2-CZ2 3.62Å; I718-W720 HydrophobicContact CG2-CZ3 4.48Å; I718-I728 HydrophobicContact CG2-CB 4.33Å; I718-I728 HydrophobicContact CG2-CD1 4.21Å; I718-I728 HydrophobicContact CG2-CG1 3.85Å; I718-I728 HydrophobicContact CG2-CG2 3.83Å; I718-R731 HydrophobicContact CG1-CG 4.43Å
719L97.5Very high94.1Very high0 Ų047.3 Ų47.30%025%0.251CS..EExtended strand (participates in β ladder)trans-95.7122.9169.4-57.3-173.3000109.7L702 V703 A704 H729 Q730 L732 W744 L751 Y782L702-L719 HydrophobicContact CD1-CB 4.13Å; V703-L719 CarbonylContact O-C 3.57Å; V703-L719 WeakPolarHBondContact O-CA 3.45Å; A704-L719 HydrophobicContact CB-CD2 3.61Å; L719-H729 HydrophobicContact CB-CB 4.33Å; L719-H729 PolarHBondContact O-N 3.03Å; L719-Q730 HydrophobicContact CB-CB 4.43Å; L719-Q730 HydrophobicContact CD1-CB 4.2Å; L719-Q730 HydrophobicContact CG-CB 4.48Å; L719-Q730 PolarHBondContact N-O 3.39Å; L719-L732 HydrophobicContact CD1-CD1 4.21Å; L719-L732 HydrophobicContact CD2-CD1 4.34Å; L719-L732 HydrophobicContact CG-CD1 4.24Å; L719-L732 HydrophobicContact CG-CG 4.48Å; L719-W744 HydrophobicContact CD2-CH2 4.45Å; L719-W744 HydrophobicContact CD2-CZ2 4.06Å; L719-L751 HydrophobicContact CD2-CD2 3.99Å; L719-Y782 HydrophobicContact CD1-CD2 3.67Å; L719-Y782 HydrophobicContact CD1-CE2 4.34Å; L719-Y782 HydrophobicContact CD1-CG 4.32Å
720W96.9Very high94Very high5 Ų548.8 Ų48.82%0.01926%0.256CS..EExtended strand (participates in β ladder)trans-109.1124.1-178.2-53.695.5000110.9L684 Y685 L702 V703 S705 I718 W726 I728L684-W720 HydrophobicContact CB-CD2 4.01Å; L684-W720 HydrophobicContact CB-CE3 3.89Å; L684-W720 HydrophobicContact CB-CH2 3.93Å; L684-W720 HydrophobicContact CB-CZ2 4.04Å; L684-W720 HydrophobicContact CB-CZ3 3.83Å; L684-W720 HydrophobicContact CD1-CB 4.01Å; L684-W720 HydrophobicContact CD1-CD2 3.8Å; L684-W720 HydrophobicContact CD1-CE3 4.18Å; L684-W720 HydrophobicContact CD1-CG 3.73Å; L684-W720 HydrophobicContact CG-CD2 4.47Å; L684-W720 HydrophobicContact CG-CE3 4.46Å; Y685-W720 WeakPolarHBondContact O-CH2 3.44Å; L702-W720 WeakPolarHBondContact CA-O 3.26Å; L702-W720 WeakPolarHBondContact CD1-O 3.46Å; V703-W720 HydrophobicContact CB-CB 4.32Å; V703-W720 PolarHBondContact N-O 2.94Å; V703-W720 PolarHBondContact O-N 3.19Å; S705-W720 PolarHBondContact OG-NE1 3.34Å; I718-W720 HydrophobicContact CB-CZ2 4.14Å; I718-W720 HydrophobicContact CD1-CH2 4.46Å; I718-W720 HydrophobicContact CD1-CZ2 4Å; I718-W720 HydrophobicContact CG2-CD2 3.88Å; I718-W720 VanDerWaalsContact CG2-CE2 3.47Å; I718-W720 HydrophobicContact CG2-CE3 4.36Å; I718-W720 HydrophobicContact CG2-CG 4.37Å; I718-W720 HydrophobicContact CG2-CH2 4.12Å; I718-W720 HydrophobicContact CG2-CZ2 3.62Å; I718-W720 HydrophobicContact CG2-CZ3 4.48Å; W720-W726 HydrophobicContact CB-CE3 4.1Å; W720-I728 HydrophobicContact CE3-CG1 3.77Å; W720-I728 HydrophobicContact CH2-CD1 4.01Å; W720-I728 HydrophobicContact CH2-CG1 3.8Å; W720-I728 HydrophobicContact CZ3-CD1 3.99Å; W720-I728 HydrophobicContact CZ3-CG1 3.33Å
721N93.5Very high94.1Very high5 Ų550 Ų503%0.02725%0.247CC..EExtended strand (participates in β ladder)trans-97.4104.1-175.8178.8-10.1000111.3N723 F724 W726 C727 H729 L779N721-N723 VanDerWaalsContact C-N 3.32Å; N721-N723 PolarHBondContact O-N 2.76Å; N721-N723 WeakPolarHBondContact OD1-CB 3.41Å; N721-N723 PolarHBondContact OD1-N 3.06Å; N721-F724 WeakPolarHBondContact ND2-CD2 3.36Å; N721-F724 CarbonylContact O-C 3.55Å; N721-F724 PolarHBondContact O-N 2.83Å; N721-F724 PolarHBondContact OD1-N 3.49Å; N721-W726 WeakPolarHBondContact O-CA 3.46Å; N721-W726 PolarHBondContact O-N 3.05Å; N721-C727 PolarHBondContact N-O 3.39Å; N721-H729 HydrophobicContact CB-CB 4.13Å; N721-L779 HydrophobicContact CB-CD1 4.4Å; N721-L779 VanDerWaalsContact CG-CD1 3.4Å; N721-L779 WeakPolarHBondContact ND2-CD1 3.16Å; N721-L779 WeakPolarHBondContact OD1-CD1 3.34Å
722G89.9Confident94.1Very high12 Ų1245.1 Ų45.112%0.12423%0.226CC..G310 helixtrans-69.7-25.9-178.500000114.1F701 F724F701-G722 VanDerWaalsContact CD1-CA 3.47Å; F701-G722 WeakPolarHBondContact O-CA 3.46Å; F701-G722 PolarHBondContact O-N 2.88Å; G722-F724 PolarHBondContact O-N 2.91Å
723N87.7Confident94.1Very high110 Ų11047.4 Ų47.459%0.58823%0.23SC*.G310 helixtrans-68.4-23175.9-69.6-23.1000112.1F701 N721F701-N723 WeakPolarHBondContact CB-OD1 3.45Å; N721-N723 VanDerWaalsContact C-N 3.32Å; N721-N723 PolarHBondContact O-N 2.76Å; N721-N723 WeakPolarHBondContact OD1-CB 3.41Å; N721-N723 PolarHBondContact OD1-N 3.06Å
724F85.6Confident94.1Very high111 Ų11146 Ų4649%0.48722%0.224SC..G310 helixtrans-115.153.2179.7-70.7-97.4000111.1N721 G722 W726 C727N721-F724 WeakPolarHBondContact ND2-CD2 3.36Å; N721-F724 CarbonylContact O-C 3.55Å; N721-F724 PolarHBondContact O-N 2.83Å; N721-F724 PolarHBondContact OD1-N 3.49Å; G722-F724 PolarHBondContact O-N 2.91Å; F724-W726 PolarHBondContact O-N 3Å; F724-W726 VanDerWaalsContact O-N 3.13Å; F724-C727 PolarHBondContact O-N 2.86Å; F724-C727 PolarHBondContact O-SG 3.49Å; F724-C727 VanDerWaalsContact O-SG 3.36Å
725N87.9Confident94.2Very high114 Ų11443.5 Ų43.561%0.6121%0.214SC*.THydrogen-bonded Turntrans54.234.7175.5-168.718.5000113.5K682 C727K682-N725 PolarHBondContact NZ-OD1 2.91Å; N725-C727 VanDerWaalsContact C-N 3.3Å; N725-C727 PolarHBondContact O-N 3.21Å
726W92.7Very high94.2Very high22 Ų2249.5 Ų49.58%0.08324%0.241CC..THydrogen-bonded Turntrans58.634.4179.6-57.896.3000114.7I556 V572 K682 L684 F701 V703 W720 N721 F724I556-W726 HydrophobicContact CD1-CH2 3.57Å; I556-W726 HydrophobicContact CD1-CZ2 4.11Å; V572-W726 HydrophobicContact CB-CZ2 4.45Å; V572-W726 HydrophobicContact CG1-CH2 4.37Å; V572-W726 HydrophobicContact CG1-CZ2 3.61Å; V572-W726 HydrophobicContact CG2-CD2 3.92Å; V572-W726 HydrophobicContact CG2-CE3 4.27Å; V572-W726 HydrophobicContact CG2-CG 4.43Å; V572-W726 HydrophobicContact CG2-CH2 4.36Å; V572-W726 HydrophobicContact CG2-CZ2 3.98Å; V572-W726 HydrophobicContact CG2-CZ3 4.49Å; K682-W726 HydrophobicContact CG-CB 4.23Å; K682-W726 HydrophobicContact CG-CG 4.2Å; L684-W726 HydrophobicContact CD1-CD2 4.46Å; L684-W726 HydrophobicContact CD1-CE3 3.96Å; L684-W726 HydrophobicContact CD2-CB 3.29Å; L684-W726 HydrophobicContact CD2-CD2 4.25Å; L684-W726 HydrophobicContact CD2-CG 3.77Å; F701-W726 HydrophobicContact CD1-CH2 4.28Å; F701-W726 HydrophobicContact CD1-CZ2 4.12Å; F701-W726 AromaticContact CE1-CH2 3.93Å; F701-W726 HydrophobicContact CE1-CH2 3.93Å; F701-W726 AromaticContact CE1-CZ2 3.4Å; F701-W726 HydrophobicContact CE1-CZ2 3.4Å; F701-W726 VanDerWaalsContact CE1-CZ2 3.4Å; F701-W726 HydrophobicContact CZ-CH2 4.15Å; F701-W726 AromaticContact CZ-CZ2 3.72Å; F701-W726 HydrophobicContact CZ-CZ2 3.72Å; V703-W726 HydrophobicContact CB-CZ3 4.16Å; V703-W726 HydrophobicContact CG2-CH2 3.96Å; V703-W726 HydrophobicContact CG2-CZ3 3.51Å; W720-W726 HydrophobicContact CB-CE3 4.1Å; N721-W726 WeakPolarHBondContact O-CA 3.46Å; N721-W726 PolarHBondContact O-N 3.05Å; F724-W726 PolarHBondContact O-N 3Å; F724-W726 VanDerWaalsContact O-N 3.13Å
727C93.3Very high94.3Very high62 Ų6251.4 Ų51.442%0.41925%0.252SS..EExtended strand (participates in β ladder)trans-68.5157.2172.367.50000111.7N721 F724 N725 H729N721-C727 PolarHBondContact N-O 3.39Å; F724-C727 PolarHBondContact O-N 2.86Å; F724-C727 PolarHBondContact O-SG 3.49Å; F724-C727 VanDerWaalsContact O-SG 3.36Å; N725-C727 VanDerWaalsContact C-N 3.3Å; N725-C727 PolarHBondContact O-N 3.21Å; C727-H729 PolarHBondContact O-N 2.87Å
728I95.3Very high94.3Very high61 Ų6151.7 Ų51.731%0.31325%0.254SS..EExtended strand (participates in β ladder)trans-68.8113.7171.3-62.5176.6000108.2I718 W720 R731I718-I728 HydrophobicContact CG2-CB 4.33Å; I718-I728 HydrophobicContact CG2-CD1 4.21Å; I718-I728 HydrophobicContact CG2-CG1 3.85Å; I718-I728 HydrophobicContact CG2-CG2 3.83Å; W720-I728 HydrophobicContact CE3-CG1 3.77Å; W720-I728 HydrophobicContact CH2-CD1 4.01Å; W720-I728 HydrophobicContact CH2-CG1 3.8Å; W720-I728 HydrophobicContact CZ3-CD1 3.99Å; W720-I728 HydrophobicContact CZ3-CG1 3.33Å; I728-R731 HydrophobicContact CG2-CG 4.11Å
729H93.9Very high94.3Very high43 Ų4351.7 Ų51.720%0.19925%0.254CS..EExtended strand (participates in β ladder)trans-76.6-50173.7-178.358.8000110.8L719 N721 C727 L779 S780L719-H729 HydrophobicContact CB-CB 4.33Å; L719-H729 PolarHBondContact O-N 3.03Å; N721-H729 HydrophobicContact CB-CB 4.13Å; C727-H729 PolarHBondContact O-N 2.87Å; H729-L779 PolarHBondContact CE1-O 2.73Å; H729-L779 VanDerWaalsContact CE1-O 3.26Å; H729-S780 PolarHBondContact NE2-O 3.45Å
730Q95.4Very high94.3Very high40 Ų4052 Ų5219%0.18726%0.256CS..EExtended strand (participates in β ladder)trans-152.9150.2-175.6-157.8179.9-0.100112L719 L732 Y782L719-Q730 HydrophobicContact CB-CB 4.43Å; L719-Q730 HydrophobicContact CD1-CB 4.2Å; L719-Q730 HydrophobicContact CG-CB 4.48Å; L719-Q730 PolarHBondContact N-O 3.39Å; Q730-L732 HydrophobicContact CB-CD2 4.42Å; Q730-L732 HydrophobicContact CG-CD2 3.84Å; Q730-Y782 PolarHBondContact NE2-O 3.37Å; Q730-Y782 PolarHBondContact OE1-O 2.72Å
731R96.7Very high94.4Very high115 Ų11552.9 Ų52.943%0.43426%0.26SS..EExtended strand (participates in β ladder)trans-112.1117.5168.3-67.4179.6172.9-92.21.2109G686 H716 I717 I718 I728G686-R731 PolarHBondContact O-NH1 3.29Å; G686-R731 PolarHBondContact O-NH2 2.92Å; H716-R731 PolarHBondContact CD2-NH1 2.88Å; H716-R731 PolarHBondContact NE2-NH1 2.82Å; I717-R731 CarbonylContact O-C 3.57Å; I717-R731 WeakPolarHBondContact O-CA 3.25Å; I718-R731 HydrophobicContact CG1-CG 4.43Å; I728-R731 HydrophobicContact CG2-CG 4.11Å
732L97Very high94.6Very high2 Ų253 Ų531%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-99.4120.9179.7-45.6175.7000108.9H716 I717 L719 Q730 L751 W763H716-L732 CarbonylContact C-O 3.59Å; H716-L732 VanDerWaalsContact CA-O 3.32Å; H716-L732 WeakPolarHBondContact CA-O 3.44Å; I717-L732 HydrophobicContact CB-CB 4.15Å; I717-L732 HydrophobicContact CB-CD1 4.44Å; I717-L732 HydrophobicContact CG2-CD1 4.43Å; I717-L732 PolarHBondContact N-O 2.94Å; I717-L732 PolarHBondContact O-N 2.86Å; L719-L732 HydrophobicContact CD1-CD1 4.21Å; L719-L732 HydrophobicContact CD2-CD1 4.34Å; L719-L732 HydrophobicContact CG-CD1 4.24Å; L719-L732 HydrophobicContact CG-CG 4.48Å; Q730-L732 HydrophobicContact CB-CD2 4.42Å; Q730-L732 HydrophobicContact CG-CD2 3.84Å; L732-L751 HydrophobicContact CD1-CD2 4Å; L732-W763 HydrophobicContact CB-CD2 4.05Å; L732-W763 HydrophobicContact CB-CE3 4.01Å; L732-W763 HydrophobicContact CB-CH2 3.73Å; L732-W763 HydrophobicContact CB-CZ2 3.73Å; L732-W763 HydrophobicContact CB-CZ3 3.85Å; L732-W763 HydrophobicContact CD1-CB 4.4Å; L732-W763 HydrophobicContact CD1-CD2 3.84Å; L732-W763 HydrophobicContact CD1-CE3 4.15Å; L732-W763 HydrophobicContact CD1-CG 3.92Å; L732-W763 HydrophobicContact CD2-CD2 4.31Å; L732-W763 HydrophobicContact CD2-CE3 3.75Å; L732-W763 HydrophobicContact CD2-CZ3 3.96Å; L732-W763 HydrophobicContact CG-CD2 4.29Å; L732-W763 HydrophobicContact CG-CE3 4.19Å; L732-W763 HydrophobicContact CG-CZ3 4.41Å
733Q95Very high94.9Very high121 Ų12153.2 Ų53.257%0.56526%0.261SS*.  trans-122.4121.7-176.3-167.3175.66.900111P712P712-Q733 PolarHBondContact O-NE2 3.05Å; P712-Q733 VanDerWaalsContact O-NE2 3.11Å
734H94.8Very high95.3Very high64 Ų6449 Ų4930%0.29624%0.237SC..  trans-155.7-45.7176.3-18081.2000112.2W763 L784H734-W763 HydrophobicContact CB-CH2 4.2Å; H734-W763 HydrophobicContact CB-CZ2 3.7Å; H734-L784 WeakPolarHBondContact ND1-CD2 3.3Å
735H96.4Very high95.7Very high3 Ų343.7 Ų43.71%0.01421%0.214CC..  trans-70.7156.5-174.8-70.9-64.7000113.1A715 V739 S755 D757 T759 S761A715-H735 HydrophobicContact CB-CB 4.25Å; A715-H735 WeakPolarHBondContact CB-O 3.47Å; H735-V739 HydrophobicContact CB-CG2 4.13Å; H735-S755 WeakPolarHBondContact ND1-CB 3.48Å; H735-D757 WeakPolarHBondContact CA-OD2 3.34Å; H735-D757 WeakPolarHBondContact CB-OD2 3.21Å; H735-D757 IonicContact CG-OD2 2.86Å; H735-D757 IonicContact ND1-OD1 3.95Å; H735-D757 IonicContact ND1-OD2 2.95Å; H735-D757 PolarHBondContact ND1-OD2 3.16Å; H735-D757 VanDerWaalsContact ND1-OD2 3.12Å; H735-T759 PolarHBondContact ND1-OG1 2.84Å; H735-S761 PolarHBondContact NE2-OG 3.17Å
736Q96.4Very high95.9Very high128 Ų12842.6 Ų42.660%0.59821%0.205SC*.SBendtrans-102.3-22.7-178.1-62-178.6-5.300113.3K711 D757K711-Q736 CarbonylContact C-O 3.53Å; K711-Q736 VanDerWaalsContact C-O 3.28Å; Q736-D757 HydrophobicContact CB-CB 4.13Å; Q736-D757 PolarHBondContact N-OD2 3.24Å
737L97.6Very high95.6Very high61 Ų6143.6 Ų43.632%0.31921%0.212SC..SBendtrans-134.6-179.3-178-63.4177.8000109.7A709 A715 V739 S755 R756 D757A709-L737 CarbonylContact O-C 3.58Å; A709-L737 WeakPolarHBondContact O-CA 3.33Å; A715-L737 WeakPolarHBondContact CB-O 3.38Å; L737-V739 PolarHBondContact O-N 2.93Å; L737-S755 PolarHBondContact O-OG 3.1Å; L737-R756 HydrophobicContact CB-CB 4.04Å; L737-R756 HydrophobicContact CD1-CB 4.32Å; L737-D757 HydrophobicContact CB-CB 4.25Å; L737-D757 HydrophobicContact CD1-CB 4.33Å; L737-D757 HydrophobicContact CG-CB 4.28Å
738T98Very high95.4Very high6 Ų640.7 Ų40.74%0.03719%0.192CC..  trans-47.6125.3177.5-500000112.8Y692 A709 S755 R756Y692-T738 HydrophobicContact CD1-CG2 4.03Å; Y692-T738 HydrophobicContact CD2-CG2 3.83Å; Y692-T738 HydrophobicContact CE2-CG2 4.36Å; Y692-T738 HydrophobicContact CG-CG2 3.63Å; A709-T738 PolarHBondContact N-OG1 3.26Å; A709-T738 PolarHBondContact O-N 3.15Å; A709-T738 PolarHBondContact O-OG1 3.34Å; T738-S755 WeakPolarHBondContact O-CA 3.21Å; T738-S755 PolarHBondContact O-OG 3.26Å; T738-R756 PolarHBondContact O-N 2.84Å
739V98.3Very high95.3Very high1 Ų139.6 Ų39.61%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-73.1121.3165.5179.60000108.2Y692 C693 A706 I717 H735 L737 L742 A753 V754Y692-V739 WeakPolarHBondContact CD1-O 3.36Å; C693-V739 PolarHBondContact SG-O 3.24Å; A706-V739 HydrophobicContact CB-CB 3.71Å; A706-V739 HydrophobicContact CB-CG1 4.19Å; A706-V739 HydrophobicContact CB-CG2 4.23Å; I717-V739 HydrophobicContact CG1-CG2 4.24Å; H735-V739 HydrophobicContact CB-CG2 4.13Å; L737-V739 PolarHBondContact O-N 2.93Å; V739-L742 HydrophobicContact CG1-CD2 3.91Å; V739-L742 HydrophobicContact CG1-CG 4.13Å; V739-A753 HydrophobicContact CG1-CB 4.02Å; V739-V754 CarbonylContact C-O 3.58Å; V739-V754 WeakPolarHBondContact CA-O 3.48Å; V739-V754 WeakPolarHBondContact CG1-O 3.35Å
740T97.9Very high95.3Very high6 Ų639.4 Ų39.44%0.03719%0.186CC..EExtended strand (participates in β ladder)trans-89.8-30.3-173.260.50000113.4Y692 V754 R756 I797 I798 W799Y692-T740 HydrophobicContact CE1-CG2 4.37Å; Y692-T740 WeakPolarHBondContact CE1-O 3.34Å; T740-V754 PolarHBondContact N-O 2.74Å; T740-V754 PolarHBondContact OG1-O 3.12Å; T740-R756 HydrophobicContact CG2-CG 3.58Å; T740-I797 HydrophobicContact CG2-CG2 4.48Å; T740-I798 PolarHBondContact OG1-O 2.89Å; T740-W799 HydrophobicContact CG2-CE3 3.99Å; T740-W799 HydrophobicContact CG2-CZ3 4.12Å; T740-W799 PolarHBondContact OG1-O 2.98Å; T740-W799 VanDerWaalsContact OG1-O 3.04Å
741Q98.1Very high95.4Very high24 Ų2437.5 Ų37.511%0.11218%0.177CC..EExtended strand (participates in β ladder)trans-151.3145.7175.1-176.9171.34.600110.5V754 T800 C801 R921Q741-V754 HydrophobicContact CB-CG2 3.72Å; Q741-V754 WeakPolarHBondContact O-CG2 3.42Å; Q741-V754 PolarHBondContact O-N 2.81Å; Q741-T800 VanDerWaalsContact OE1-CB 3.28Å; Q741-T800 PolarHBondContact OE1-OG1 3.19Å; Q741-C801 PolarHBondContact NE2-O 2.92Å; Q741-R921 VanDerWaalsContact NE2-NH1 3.16Å
742L98.2Very high95.4Very high8 Ų832 Ų324%0.04216%0.157CC..EExtended strand (participates in β ladder)trans-116.1142170.7-67.6167.4000108.2A695 A704 A706 I717 V739 L751 L752 A753A695-L742 HydrophobicContact CB-CB 3.57Å; A704-L742 HydrophobicContact CB-CD1 4Å; A706-L742 HydrophobicContact CB-CD1 4.29Å; I717-L742 HydrophobicContact CD1-CD2 3.76Å; I717-L742 HydrophobicContact CG1-CD2 4.08Å; I717-L742 HydrophobicContact CG2-CD1 4.07Å; I717-L742 HydrophobicContact CG2-CD2 4.08Å; V739-L742 HydrophobicContact CG1-CD2 3.91Å; V739-L742 HydrophobicContact CG1-CG 4.13Å; L742-L751 HydrophobicContact CB-CD1 4.35Å; L742-L751 HydrophobicContact CD2-CD1 4.39Å; L742-L752 CarbonylContact C-O 3.54Å; L742-L752 WeakPolarHBondContact CA-O 3.46Å; L742-A753 HydrophobicContact CD2-CB 3.58Å
743A97.1Very high95.5Very high15 Ų1532 Ų3212%0.12416%0.156CC..EExtended strand (participates in β ladder)trans-146.7121.5176.100000110.7L752 W803A743-L752 PolarHBondContact N-O 2.94Å; A743-L752 WeakPolarHBondContact O-CB 3.26Å; A743-L752 PolarHBondContact O-N 2.84Å; A743-W803 PolarHBondContact O-NE1 2.84Å
744W95.9Very high95.6Very high22 Ų2226.2 Ų26.28%0.08313%0.129CC..EExtended strand (participates in β ladder)trans-76144.7170.7-71.599.3000110.4H697 L702 A704 L719 R750 L751 Y782 W803H697-W744 HydrophobicContact CB-CD2 4.21Å; H697-W744 HydrophobicContact CB-CZ2 4.22Å; H697-W744 AromaticContact CD2-CD2 3.99Å; H697-W744 AromaticContact CD2-CE3 3.62Å; H697-W744 AromaticContact CD2-CH2 3.93Å; H697-W744 AromaticContact CD2-CZ3 3.6Å; L702-W744 HydrophobicContact CD2-CH2 3.82Å; L702-W744 HydrophobicContact CD2-CZ2 3.87Å; A704-W744 HydrophobicContact CB-CZ2 4.29Å; L719-W744 HydrophobicContact CD2-CH2 4.45Å; L719-W744 HydrophobicContact CD2-CZ2 4.06Å; W744-R750 CarbonylContact C-O 3.59Å; W744-R750 WeakPolarHBondContact CA-O 3.46Å; W744-L751 HydrophobicContact CD2-CB 4.24Å; W744-L751 HydrophobicContact CD2-CD1 3.86Å; W744-L751 HydrophobicContact CE3-CB 3.86Å; W744-L751 HydrophobicContact CE3-CD1 4.35Å; W744-L751 HydrophobicContact CG-CD1 4.09Å; W744-L751 HydrophobicContact CH2-CB 4.03Å; W744-L751 HydrophobicContact CH2-CD2 4.25Å; W744-L751 HydrophobicContact CZ2-CB 4.39Å; W744-L751 HydrophobicContact CZ2-CD1 4.28Å; W744-L751 HydrophobicContact CZ2-CD2 4.07Å; W744-L751 HydrophobicContact CZ2-CG 4.49Å; W744-L751 HydrophobicContact CZ3-CB 3.73Å; W744-Y782 HydrophobicContact CH2-CD1 4.41Å; W744-Y782 HydrophobicContact CH2-CD2 4.32Å; W744-Y782 AromaticContact CH2-CE1 3.92Å; W744-Y782 HydrophobicContact CH2-CE1 3.92Å; W744-Y782 AromaticContact CH2-CE2 3.8Å; W744-Y782 HydrophobicContact CH2-CE2 3.8Å; W744-Y782 AromaticContact CH2-CZ 3.56Å; W744-Y782 HydrophobicContact CZ3-CD1 4.15Å; W744-Y782 AromaticContact CZ3-CE1 3.43Å; W744-Y782 HydrophobicContact CZ3-CE1 3.43Å; W744-Y782 VanDerWaalsContact CZ3-CE1 3.43Å; W744-Y782 HydrophobicContact CZ3-CE2 4.12Å; W744-Y782 AromaticContact CZ3-CZ 3.39Å; W744-Y782 WeakPolarHBondContact CZ3-OH 3.45Å; W744-W803 PolarHBondContact O-NE1 2.71Å
745S94.5Very high95.8Very high0 Ų023.1 Ų23.10%012%0.115CC..  trans-63.5151.1162.356.90000109.6D747 G748 T749 R750S745-D747 WeakPolarHBondContact CB-OD1 3.44Å; S745-D747 PolarHBondContact O-N 2.83Å; S745-D747 PolarHBondContact OG-OD1 2.64Å; S745-G748 PolarHBondContact O-N 2.8Å; S745-T749 PolarHBondContact OG-N 2.96Å; S745-R750 PolarHBondContact N-O 2.83Å; S745-R750 PolarHBondContact OG-N 2.88Å; S745-R750 PolarHBondContact OG-O 2.95Å
746H90.5Very high95.8Very high90 Ų9028.5 Ų28.542%0.41714%0.135SC..THydrogen-bonded Turntrans-63.7-29.4-178.1-55.185.8000111.7P698 G748 S804 D807P698-H746 WeakPolarHBondContact CG-O 3.48Å; H746-G748 VanDerWaalsContact C-N 3.31Å; H746-S804 PolarHBondContact CE1-O 3.44Å; H746-S804 PolarHBondContact ND1-O 2.85Å; H746-D807 WeakPolarHBondContact CB-OD2 3.29Å; H746-D807 IonicContact CE1-OD1 3.63Å; H746-D807 IonicContact CG-OD1 2.6Å; H746-D807 VanDerWaalsContact N-CG 3.33Å; H746-D807 PolarHBondContact N-OD1 3.23Å; H746-D807 PolarHBondContact N-OD2 2.72Å; H746-D807 VanDerWaalsContact N-OD2 3.07Å; H746-D807 IonicContact ND1-OD1 3.57Å; H746-D807 PolarHBondContact ND1-OD1 2.94Å
747D87.9Confident95.8Very high43 Ų4323.2 Ų23.223%0.2311%0.111CC..THydrogen-bonded Turntrans-73.7-14.4172.67012.8000114.8R699 S745 T749 R750 D807R699-D747 PolarHBondContact NH1-O 3.5Å; R699-D747 VanDerWaalsContact NH1-O 3.11Å; S745-D747 WeakPolarHBondContact CB-OD1 3.44Å; S745-D747 PolarHBondContact O-N 2.83Å; S745-D747 PolarHBondContact OG-OD1 2.64Å; D747-T749 HydrophobicContact CB-CG2 4.34Å; D747-T749 PolarHBondContact O-N 2.89Å; D747-T749 WeakPolarHBondContact OD1-CB 3.39Å; D747-T749 PolarHBondContact OD1-N 2.84Å; D747-T749 PolarHBondContact OD1-OG1 3.09Å; D747-T749 PolarHBondContact OD2-OG1 3.27Å; D747-R750 IonicContact OD2-NH1 2.98Å; D747-R750 IonicContact OD2-NH2 3.93Å; D747-D807 WeakPolarHBondContact CB-OD2 3.46Å; D747-D807 PolarHBondContact N-OD2 2.86Å
748G89.5Confident95.8Very high1 Ų126.6 Ų26.61%0.0112%0.12CC..SBendtrans79.6-6.1-178.100000115.5H697 S745 H746 R750 Y782H697-G748 PolarHBondContact CD2-O 2.97Å; H697-G748 WeakPolarHBondContact NE2-CA 3.4Å; H697-G748 PolarHBondContact NE2-O 2.85Å; S745-G748 PolarHBondContact O-N 2.8Å; H746-G748 VanDerWaalsContact C-N 3.31Å; G748-R750 VanDerWaalsContact C-N 3.28Å; G748-R750 PolarHBondContact O-N 2.86Å; G748-Y782 PolarHBondContact O-OH 2.79Å
749T91.7Very high95.7Very high39 Ų3928.2 Ų28.224%0.23913%0.129CC..SBendtrans-76.9-15.8-174.168.20000113.1S745 D747 S764 E765S745-T749 PolarHBondContact OG-N 2.96Å; D747-T749 HydrophobicContact CB-CG2 4.34Å; D747-T749 PolarHBondContact O-N 2.89Å; D747-T749 WeakPolarHBondContact OD1-CB 3.39Å; D747-T749 PolarHBondContact OD1-N 2.84Å; D747-T749 PolarHBondContact OD1-OG1 3.09Å; D747-T749 PolarHBondContact OD2-OG1 3.27Å; T749-S764 CarbonylContact O-C 3.56Å; T749-S764 WeakPolarHBondContact O-CA 3.33Å; T749-E765 PolarHBondContact O-N 3.21Å
750R94.3Very high95.6Very high39 Ų3928.2 Ų28.215%0.14713%0.129CC..EExtended strand (participates in β ladder)trans-136.1141.5-174.6-63.1-174.5-71-75.26.6112.8W744 S745 D747 G748 L762 W763 W803 D807W744-R750 CarbonylContact C-O 3.59Å; W744-R750 WeakPolarHBondContact CA-O 3.46Å; S745-R750 PolarHBondContact N-O 2.83Å; S745-R750 PolarHBondContact OG-N 2.88Å; S745-R750 PolarHBondContact OG-O 2.95Å; D747-R750 IonicContact OD2-NH1 2.98Å; D747-R750 IonicContact OD2-NH2 3.93Å; G748-R750 VanDerWaalsContact C-N 3.28Å; G748-R750 PolarHBondContact O-N 2.86Å; R750-L762 HydrophobicContact CB-CD1 4.11Å; R750-W763 CarbonylContact C-O 3.52Å; R750-W763 WeakPolarHBondContact CA-O 3.28Å; R750-W803 HydrophobicContact CB-CH2 3.76Å; R750-W803 HydrophobicContact CB-CZ2 3.93Å; R750-W803 HydrophobicContact CG-CH2 4.48Å; R750-D807 PolarHBondContact NH2-O 2.77Å
751L96.8Very high95.6Very high0 Ų027.9 Ų27.90%013%0.127CC..EExtended strand (participates in β ladder)trans-117.1121.9170.917762.1000109.9A704 I717 L719 L732 L742 W744 W763A704-L751 HydrophobicContact CB-CD1 4.48Å; A704-L751 HydrophobicContact CB-CD2 4.02Å; I717-L751 HydrophobicContact CG2-CD2 4.38Å; L719-L751 HydrophobicContact CD2-CD2 3.99Å; L732-L751 HydrophobicContact CD1-CD2 4Å; L742-L751 HydrophobicContact CB-CD1 4.35Å; L742-L751 HydrophobicContact CD2-CD1 4.39Å; W744-L751 HydrophobicContact CD2-CB 4.24Å; W744-L751 HydrophobicContact CD2-CD1 3.86Å; W744-L751 HydrophobicContact CE3-CB 3.86Å; W744-L751 HydrophobicContact CE3-CD1 4.35Å; W744-L751 HydrophobicContact CG-CD1 4.09Å; W744-L751 HydrophobicContact CH2-CB 4.03Å; W744-L751 HydrophobicContact CH2-CD2 4.25Å; W744-L751 HydrophobicContact CZ2-CB 4.39Å; W744-L751 HydrophobicContact CZ2-CD1 4.28Å; W744-L751 HydrophobicContact CZ2-CD2 4.07Å; W744-L751 HydrophobicContact CZ2-CG 4.49Å; W744-L751 HydrophobicContact CZ3-CB 3.73Å; L751-W763 HydrophobicContact CB-CB 4.32Å; L751-W763 PolarHBondContact N-O 2.66Å; L751-W763 PolarHBondContact O-N 2.79Å
752L97.8Very high95.5Very high0 Ų026.8 Ų26.80%012%0.122CC..EExtended strand (participates in β ladder)trans-95.7136.2172.2-179.963.2000110.1L742 A743 W760 L762 C801 W803 F810L742-L752 CarbonylContact C-O 3.54Å; L742-L752 WeakPolarHBondContact CA-O 3.46Å; A743-L752 PolarHBondContact N-O 2.94Å; A743-L752 WeakPolarHBondContact O-CB 3.26Å; A743-L752 PolarHBondContact O-N 2.84Å; L752-W760 HydrophobicContact CD1-CB 4.31Å; L752-W760 HydrophobicContact CD1-CE3 4.18Å; L752-L762 HydrophobicContact CB-CD1 4.35Å; L752-L762 HydrophobicContact CD1-CD1 4.44Å; L752-C801 HydrophobicContact CD2-CB 3.53Å; L752-C801 HydrophobicContact CG-CB 4.28Å; L752-W803 HydrophobicContact CB-CZ2 3.89Å; L752-F810 HydrophobicContact CD1-CD2 3.93Å; L752-F810 HydrophobicContact CD1-CE2 3.81Å; L752-F810 HydrophobicContact CD1-CG 4.45Å; L752-F810 HydrophobicContact CD1-CZ 4.26Å; L752-F810 HydrophobicContact CD2-CB 3.82Å; L752-F810 HydrophobicContact CD2-CD2 3.53Å; L752-F810 HydrophobicContact CD2-CE2 4.26Å; L752-F810 HydrophobicContact CD2-CG 3.81Å; L752-F810 HydrophobicContact CG-CD2 4.41Å
753A98.3Very high95.3Very high0 Ų027.1 Ų27.10%012%0.123CC..EExtended strand (participates in β ladder)trans-129.1136.4172.400000110.5I717 V739 L742 W760 S761I717-A753 HydrophobicContact CD1-CB 3.55Å; V739-A753 HydrophobicContact CG1-CB 4.02Å; L742-A753 HydrophobicContact CD2-CB 3.58Å; A753-W760 CarbonylContact O-C 3.58Å; A753-W760 WeakPolarHBondContact O-CA 3.45Å; A753-W760 WeakPolarHBondContact O-CB 3.31Å; A753-S761 PolarHBondContact N-O 3.39Å; A753-S761 PolarHBondContact O-N 2.91Å
754V98.1Very high95.1Very high0 Ų027.5 Ų27.50%012%0.124CC..EExtended strand (participates in β ladder)trans-121.5147.3175.9-67.20000111.1V739 T740 Q741 W760 I798 C801 T812V739-V754 CarbonylContact C-O 3.58Å; V739-V754 WeakPolarHBondContact CA-O 3.48Å; V739-V754 WeakPolarHBondContact CG1-O 3.35Å; T740-V754 PolarHBondContact N-O 2.74Å; T740-V754 PolarHBondContact OG1-O 3.12Å; Q741-V754 HydrophobicContact CB-CG2 3.72Å; Q741-V754 WeakPolarHBondContact O-CG2 3.42Å; Q741-V754 PolarHBondContact O-N 2.81Å; V754-W760 HydrophobicContact CG1-CB 3.9Å; V754-I798 HydrophobicContact CB-CB 4.07Å; V754-I798 HydrophobicContact CB-CG2 3.62Å; V754-I798 HydrophobicContact CG1-CG2 3.71Å; V754-I798 HydrophobicContact CG2-CG2 4.19Å; V754-C801 HydrophobicContact CG1-CB 3.64Å; V754-C801 HydrophobicContact CG2-CB 4.24Å; V754-T812 HydrophobicContact CG1-CG2 3.97Å
755S98Very high94.7Very high0 Ų029.2 Ų29.20%013%0.133CC..EExtended strand (participates in β ladder)trans-139.5159.3-167.3171.20000114.9H735 L737 T738 D757 R758 T759H735-S755 WeakPolarHBondContact ND1-CB 3.48Å; L737-S755 PolarHBondContact O-OG 3.1Å; T738-S755 WeakPolarHBondContact O-CA 3.21Å; T738-S755 PolarHBondContact O-OG 3.26Å; S755-D757 WeakPolarHBondContact CB-OD1 3.46Å; S755-D757 PolarHBondContact O-N 3.37Å; S755-D757 PolarHBondContact OG-N 3.1Å; S755-D757 PolarHBondContact OG-OD1 3.07Å; S755-D757 PolarHBondContact OG-OD2 3.5Å; S755-R758 PolarHBondContact O-N 3.49Å; S755-R758 VanDerWaalsContact O-N 3.17Å; S755-T759 PolarHBondContact N-O 3.06Å; S755-T759 VanDerWaalsContact N-O 3.1Å
756R97.8Very high94.2Very high116 Ų11632.9 Ų32.944%0.43815%0.151SC..THydrogen-bonded Turntrans-63.9-19.1171-66.5-174.168178.2-0.3113.7L737 T738 T740 R758 I797L737-R756 HydrophobicContact CB-CB 4.04Å; L737-R756 HydrophobicContact CD1-CB 4.32Å; T738-R756 PolarHBondContact O-N 2.84Å; T740-R756 HydrophobicContact CG2-CG 3.58Å; R756-R758 PolarHBondContact O-N 2.84Å; R756-I797 HydrophobicContact CB-CG1 4.31Å; R756-I797 HydrophobicContact CB-CG2 4.45Å; R756-I797 HydrophobicContact CG-CD1 4.46Å; R756-I797 HydrophobicContact CG-CG2 4.06Å
757D96.1Very high93Very high16 Ų1636.5 Ų36.59%0.08617%0.17CC..THydrogen-bonded Turntrans-70.4-2173.661.620.3000113.6H735 Q736 L737 S755 T759H735-D757 WeakPolarHBondContact CA-OD2 3.34Å; H735-D757 WeakPolarHBondContact CB-OD2 3.21Å; H735-D757 IonicContact CG-OD2 2.86Å; H735-D757 IonicContact ND1-OD1 3.95Å; H735-D757 IonicContact ND1-OD2 2.95Å; H735-D757 PolarHBondContact ND1-OD2 3.16Å; H735-D757 VanDerWaalsContact ND1-OD2 3.12Å; Q736-D757 HydrophobicContact CB-CB 4.13Å; Q736-D757 PolarHBondContact N-OD2 3.24Å; L737-D757 HydrophobicContact CB-CB 4.25Å; L737-D757 HydrophobicContact CD1-CB 4.33Å; L737-D757 HydrophobicContact CG-CB 4.28Å; S755-D757 WeakPolarHBondContact CB-OD1 3.46Å; S755-D757 PolarHBondContact O-N 3.37Å; S755-D757 PolarHBondContact OG-N 3.1Å; S755-D757 PolarHBondContact OG-OD1 3.07Å; S755-D757 PolarHBondContact OG-OD2 3.5Å; D757-T759 VanDerWaalsContact C-N 3.33Å; D757-T759 PolarHBondContact OD1-N 3.17Å; D757-T759 PolarHBondContact OD1-OG1 3.23Å
758R96.4Very high91.6Very high133 Ų13339.1 Ų39.150%0.50218%0.182SC..SBendtrans75.118179.9-41.3165.9-73.6-173.7-3.2112.9S755 R756 S793 S795 R796S755-R758 PolarHBondContact O-N 3.49Å; S755-R758 VanDerWaalsContact O-N 3.17Å; R756-R758 PolarHBondContact O-N 2.84Å; R758-S793 WeakPolarHBondContact O-CB 3.28Å; R758-S793 PolarHBondContact O-OG 2.91Å; R758-S795 WeakPolarHBondContact CD-O 3.06Å; R758-R796 WeakPolarHBondContact CG-O 3.35Å
759T96.2Very high89.8Confident40 Ų4044.5 Ų44.525%0.24521%0.21CC..  trans-117.6167173.973.70000111.3H735 S755 D757 P788H735-T759 PolarHBondContact ND1-OG1 2.84Å; S755-T759 PolarHBondContact N-O 3.06Å; S755-T759 VanDerWaalsContact N-O 3.1Å; D757-T759 VanDerWaalsContact C-N 3.33Å; D757-T759 PolarHBondContact OD1-N 3.17Å; D757-T759 PolarHBondContact OD1-OG1 3.23Å; T759-P788 HydrophobicContact CG2-CG 4.41Å
760W97Very high87.6Confident0 Ų048.8 Ų48.80%024%0.242CC..EExtended strand (participates in β ladder)trans-124.5155.7169.557.9-102000108.9L752 A753 V754 L762 A786 Y787 P788 I798 F810 W822 L840L752-W760 HydrophobicContact CD1-CB 4.31Å; L752-W760 HydrophobicContact CD1-CE3 4.18Å; A753-W760 CarbonylContact O-C 3.58Å; A753-W760 WeakPolarHBondContact O-CA 3.45Å; A753-W760 WeakPolarHBondContact O-CB 3.31Å; V754-W760 HydrophobicContact CG1-CB 3.9Å; W760-L762 HydrophobicContact CE3-CB 4.41Å; W760-L762 HydrophobicContact CZ3-CB 3.99Å; W760-A786 HydrophobicContact CH2-CB 4.18Å; W760-A786 HydrophobicContact CZ3-CB 4.06Å; W760-Y787 VanDerWaalsContact CH2-C 3.41Å; W760-P788 HydrophobicContact CD2-CG 4.31Å; W760-P788 HydrophobicContact CG-CG 4.31Å; W760-P788 HydrophobicContact CZ2-CB 3.92Å; W760-P788 HydrophobicContact CZ2-CG 4.41Å; W760-P788 WeakPolarHBondContact O-CD 3.41Å; W760-I798 HydrophobicContact CB-CD1 4.45Å; W760-F810 AromaticContact CD2-CE2 3.88Å; W760-F810 HydrophobicContact CD2-CE2 3.88Å; W760-F810 AromaticContact CD2-CZ 3.9Å; W760-F810 HydrophobicContact CD2-CZ 3.9Å; W760-F810 AromaticContact CE2-CZ 3.9Å; W760-F810 HydrophobicContact CE3-CE2 4.09Å; W760-F810 AromaticContact CE3-CZ 3.75Å; W760-F810 HydrophobicContact CE3-CZ 3.75Å; W760-F810 HydrophobicContact CG-CE2 4.32Å; W760-F810 AromaticContact CH2-CZ 3.8Å; W760-F810 HydrophobicContact CH2-CZ 3.8Å; W760-F810 HydrophobicContact CZ2-CE2 4.43Å; W760-F810 AromaticContact CZ2-CZ 3.87Å; W760-F810 HydrophobicContact CZ2-CZ 3.87Å; W760-F810 HydrophobicContact CZ3-CE2 4.48Å; W760-F810 AromaticContact CZ3-CZ 3.71Å; W760-F810 HydrophobicContact CZ3-CZ 3.71Å; W760-W822 AromaticContact CD1-CE2 3.88Å; W760-W822 AromaticContact CD1-CZ2 3.8Å; W760-W822 AromaticContact CE2-CD2 3.81Å; W760-W822 AromaticContact CE2-CE2 3.94Å; W760-W822 AromaticContact CE2-CE3 3.83Å; W760-W822 AromaticContact CE2-CZ3 3.99Å; W760-W822 AromaticContact CZ2-CD2 3.83Å; W760-W822 HydrophobicContact CZ2-CD2 3.83Å; W760-W822 AromaticContact CZ2-CE3 3.45Å; W760-W822 HydrophobicContact CZ2-CE3 3.45Å; W760-W822 VanDerWaalsContact CZ2-CE3 3.45Å; W760-W822 HydrophobicContact CZ2-CG 4.44Å; W760-W822 HydrophobicContact CZ2-CH2 4.3Å; W760-W822 AromaticContact CZ2-CZ3 3.7Å; W760-W822 HydrophobicContact CZ2-CZ3 3.7Å; W760-W822 AromaticContact NE1-CD2 3.46Å; W760-W822 AromaticContact NE1-CE2 3.11Å; W760-W822 AromaticContact NE1-CE3 3.7Å; W760-W822 AromaticContact NE1-CH2 3.33Å; W760-W822 VanDerWaalsContact NE1-CH2 3.33Å; W760-W822 AromaticContact NE1-CZ2 3.04Å; W760-W822 AromaticContact NE1-CZ3 3.64Å; W760-W822 AromaticContact NE1-NE1 3.71Å; W760-L840 HydrophobicContact CH2-CB 3.96Å; W760-L840 HydrophobicContact CH2-CD1 3.88Å; W760-L840 HydrophobicContact CH2-CG 4.23Å; W760-L840 HydrophobicContact CZ2-CB 4.16Å
761S96.5Very high85.4Confident0 Ų051.4 Ų51.40%027%0.272CS..EExtended strand (participates in β ladder)trans-130.3140.1173600000110.4H735 A753 W763H735-S761 PolarHBondContact NE2-OG 3.17Å; A753-S761 PolarHBondContact N-O 3.39Å; A753-S761 PolarHBondContact O-N 2.91Å; S761-W763 PolarHBondContact OG-NE1 2.73Å
762L96.5Very high82.9Confident0 Ų057.1 Ų57.10%031%0.307CS..EExtended strand (participates in β ladder)trans-115.5125.3176.8-17368.2000108.9R750 L752 W760 S785 A786 W803 V826R750-L762 HydrophobicContact CB-CD1 4.11Å; L752-L762 HydrophobicContact CB-CD1 4.35Å; L752-L762 HydrophobicContact CD1-CD1 4.44Å; W760-L762 HydrophobicContact CE3-CB 4.41Å; W760-L762 HydrophobicContact CZ3-CB 3.99Å; L762-S785 PolarHBondContact O-N 2.93Å; L762-S785 PolarHBondContact O-OG 2.94Å; L762-S785 VanDerWaalsContact O-OG 3.05Å; L762-A786 HydrophobicContact CB-CB 4.04Å; L762-A786 HydrophobicContact CD2-CB 4.09Å; L762-A786 PolarHBondContact N-O 2.73Å; L762-A786 PolarHBondContact O-N 2.99Å; L762-W803 HydrophobicContact CD1-CH2 3.59Å; L762-W803 HydrophobicContact CD1-CZ2 3.59Å; L762-V826 HydrophobicContact CD2-CG2 4.05Å
763W95.1Very high80.1Confident16 Ų1664.8 Ų64.86%0.06134%0.343CS..EExtended strand (participates in β ladder)trans-113.3128.3-179.7-55.181.6000108.4L732 H734 R750 L751 S761 I783 L784L732-W763 HydrophobicContact CB-CD2 4.05Å; L732-W763 HydrophobicContact CB-CE3 4.01Å; L732-W763 HydrophobicContact CB-CH2 3.73Å; L732-W763 HydrophobicContact CB-CZ2 3.73Å; L732-W763 HydrophobicContact CB-CZ3 3.85Å; L732-W763 HydrophobicContact CD1-CB 4.4Å; L732-W763 HydrophobicContact CD1-CD2 3.84Å; L732-W763 HydrophobicContact CD1-CE3 4.15Å; L732-W763 HydrophobicContact CD1-CG 3.92Å; L732-W763 HydrophobicContact CD2-CD2 4.31Å; L732-W763 HydrophobicContact CD2-CE3 3.75Å; L732-W763 HydrophobicContact CD2-CZ3 3.96Å; L732-W763 HydrophobicContact CG-CD2 4.29Å; L732-W763 HydrophobicContact CG-CE3 4.19Å; L732-W763 HydrophobicContact CG-CZ3 4.41Å; H734-W763 HydrophobicContact CB-CH2 4.2Å; H734-W763 HydrophobicContact CB-CZ2 3.7Å; R750-W763 CarbonylContact C-O 3.52Å; R750-W763 WeakPolarHBondContact CA-O 3.28Å; L751-W763 HydrophobicContact CB-CB 4.32Å; L751-W763 PolarHBondContact N-O 2.66Å; L751-W763 PolarHBondContact O-N 2.79Å; S761-W763 PolarHBondContact OG-NE1 2.73Å; W763-I783 CarbonylContact C-O 3.43Å; W763-I783 VanDerWaalsContact CA-O 3.28Å; W763-I783 WeakPolarHBondContact CA-O 3.42Å; W763-L784 HydrophobicContact CD2-CB 4.44Å; W763-L784 HydrophobicContact CD2-CD1 4.27Å; W763-L784 HydrophobicContact CE3-CB 3.93Å; W763-L784 HydrophobicContact CH2-CB 4.03Å; W763-L784 HydrophobicContact CH2-CD1 4.29Å; W763-L784 HydrophobicContact CZ2-CD1 3.99Å; W763-L784 HydrophobicContact CZ3-CB 3.71Å
764S92.2Very high77.1Confident22 Ų2268 Ų6815%0.15438%0.375CS..EExtended strand (participates in β ladder)trans-113.3147.8179.2-61.40000110.9T749 Q766 Y782 I783 S785T749-S764 CarbonylContact O-C 3.56Å; T749-S764 WeakPolarHBondContact O-CA 3.33Å; S764-Q766 PolarHBondContact O-N 3.22Å; S764-Y782 WeakPolarHBondContact O-CA 3.46Å; S764-I783 PolarHBondContact N-O 3.43Å; S764-I783 PolarHBondContact O-N 3.38Å; S764-S785 WeakPolarHBondContact OG-CB 3.38Å; S764-S785 PolarHBondContact OG-OG 2.77Å
765E88.4Confident74.4Confident58 Ų5877.3 Ų77.327%0.27142%0.421SS..EExtended strand (participates in β ladder)trans-58.2124.9173.3-166-173178.300110.5T749 M767 S780 Y782T749-E765 PolarHBondContact O-N 3.21Å; E765-M767 PolarHBondContact O-N 3.4Å; E765-S780 WeakPolarHBondContact OE1-CB 3.45Å; E765-S780 PolarHBondContact OE1-OG 3.5Å; E765-Y782 HydrophobicContact CB-CD1 4.39Å; E765-Y782 HydrophobicContact CB-CE1 3.93Å; E765-Y782 HydrophobicContact CG-CE1 4.49Å
766Q82.2Confident71.8Confident78 Ų7883.7 Ų83.736%0.36446%0.456SS..  trans-81.3104.5173.7-171174.313.800108S764 M768 N781 I783S764-Q766 PolarHBondContact O-N 3.22Å; Q766-M768 PolarHBondContact O-N 2.79Å; Q766-N781 WeakPolarHBondContact CB-O 3.32Å; Q766-N781 PolarHBondContact N-O 2.88Å; Q766-I783 HydrophobicContact CB-CD1 4.23Å; Q766-I783 HydrophobicContact CB-CG1 4.28Å; Q766-I783 HydrophobicContact CB-CG2 4.29Å; Q766-I783 HydrophobicContact CG-CD1 4.17Å
767M67.3Low69.8Low165 Ų16586.9 Ų86.981%0.81348%0.475SS*.  trans-59.2109174.8-74.1-155.8137.500109.7E765 N769E765-M767 PolarHBondContact O-N 3.4Å; M767-N769 PolarHBondContact O-N 3.49Å
768M58.4Low68.4Low98 Ų9891.2 Ų91.248%0.48350%0.495SS..  trans-67.4125.2169.4-81-164.7-176.200108.7Q766 S770Q766-M768 PolarHBondContact O-N 2.79Å; M768-S770 PolarHBondContact O-N 3.36Å
769N50Low67.6Low114 Ų11485.5 Ų85.561%0.6147%0.474SS*.  trans-59108.7168.3-76.4-30.2000107.8M767 A771M767-N769 PolarHBondContact O-N 3.49Å; N769-A771 PolarHBondContact O-N 2.92Å
770S46.9Very low67Low129 Ų12984.5 Ų84.590%0.90247%0.469SS*.THydrogen-bonded Turntrans-63.618.1-173.8-39.60000115.1M768M768-S770 PolarHBondContact O-N 3.36Å
771A47.4Very low66.6Low94 Ų9487.2 Ų87.278%0.77748%0.483SS*.THydrogen-bonded Turntrans-98.7-7.8-176.200000114.4N769N769-A771 PolarHBondContact O-N 2.92Å
772T43.5Very low66.4Low121 Ų12187.2 Ų87.274%0.74248%0.483SS*.SBendtrans-120.4-14.8-168.731.90000119
773E39.1Very low66.2Low161 Ų16189.1 Ų89.175%0.75249%0.493SS*.  trans-139.4124.6171.8-70.1-171167.500112.4
774G36.3Very low66.1Low66 Ų6689.9 Ų89.968%0.6850%0.498SS*.  trans-81.4147-178.400000113N776G774-N776 VanDerWaalsContact C-N 3.29Å; G774-N776 PolarHBondContact O-N 2.9Å
775M40.5Very low66.1Low197 Ų19788.9 Ų88.997%0.9749%0.491SS*.SBendtrans60.4-3.2155.6-94.7-159.8149.400121.5
776N44.3Very low66.3Low134 Ų13486.1 Ų86.172%0.71748%0.478SS*.  trans-101.5121.9171.6-67.9-18.3000109.7G774 Q778G774-N776 VanDerWaalsContact C-N 3.29Å; G774-N776 PolarHBondContact O-N 2.9Å; N776-Q778 PolarHBondContact O-N 3.21Å
777H56.2Low66.9Low183 Ų18386.2 Ų86.285%0.84748%0.476SS*.  trans-62.568.4171.3-79.7-80.7000111
778Q65.7Low68.1Low107 Ų10778.8 Ų78.850%0.544%0.439SS..PPolyproline II helixtrans-83.1119.5-177.8-162.4164.6-700108.7N776N776-Q778 PolarHBondContact O-N 3.21Å
779L79.9Confident69.6Low12 Ų1276.4 Ų76.46%0.06343%0.428CS..PPolyproline II helixtrans-56.6138.5176.6-100.8124.8000110.8E700 L702 N721 H729E700-L779 HydrophobicContact CB-CD2 4.41Å; E700-L779 WeakPolarHBondContact OE2-CD2 3.12Å; L702-L779 HydrophobicContact CB-CD2 4.35Å; L702-L779 HydrophobicContact CD1-CD2 4Å; L702-L779 HydrophobicContact CD2-CD2 3.97Å; L702-L779 HydrophobicContact CG-CD2 4.34Å; N721-L779 HydrophobicContact CB-CD1 4.4Å; N721-L779 VanDerWaalsContact CG-CD1 3.4Å; N721-L779 WeakPolarHBondContact ND2-CD1 3.16Å; N721-L779 WeakPolarHBondContact OD1-CD1 3.34Å; H729-L779 PolarHBondContact CE1-O 2.73Å; H729-L779 VanDerWaalsContact CE1-O 3.26Å
780S83.1Confident71.3Confident19 Ų1981 Ų8113%0.13344%0.443CS..PPolyproline II helixtrans-64.6148.6176.7-63.20000111.8H729 E765H729-S780 PolarHBondContact NE2-O 3.45Å; E765-S780 WeakPolarHBondContact OE1-CB 3.45Å; E765-S780 PolarHBondContact OE1-OG 3.5Å
781N89Confident73.1Confident57 Ų5778.5 Ų78.531%0.30544%0.437SS..PPolyproline II helixtrans-82.7152.6170.7-72.2-27.5000110.1Q766Q766-N781 WeakPolarHBondContact CB-O 3.32Å; Q766-N781 PolarHBondContact N-O 2.88Å
782Y92.2Very high75Confident1 Ų178 Ų780%0.00442%0.419CS..EExtended strand (participates in β ladder)trans-108129.3175.5-71.5-92.5000110.6H697 L702 L719 Q730 W744 G748 S764 E765H697-Y782 PolarHBondContact CD2-OH 2.97Å; H697-Y782 PolarHBondContact NE2-OH 3.41Å; L702-Y782 HydrophobicContact CD2-CE2 4.08Å; L719-Y782 HydrophobicContact CD1-CD2 3.67Å; L719-Y782 HydrophobicContact CD1-CE2 4.34Å; L719-Y782 HydrophobicContact CD1-CG 4.32Å; Q730-Y782 PolarHBondContact NE2-O 3.37Å; Q730-Y782 PolarHBondContact OE1-O 2.72Å; W744-Y782 HydrophobicContact CH2-CD1 4.41Å; W744-Y782 HydrophobicContact CH2-CD2 4.32Å; W744-Y782 AromaticContact CH2-CE1 3.92Å; W744-Y782 HydrophobicContact CH2-CE1 3.92Å; W744-Y782 AromaticContact CH2-CE2 3.8Å; W744-Y782 HydrophobicContact CH2-CE2 3.8Å; W744-Y782 AromaticContact CH2-CZ 3.56Å; W744-Y782 HydrophobicContact CZ3-CD1 4.15Å; W744-Y782 AromaticContact CZ3-CE1 3.43Å; W744-Y782 HydrophobicContact CZ3-CE1 3.43Å; W744-Y782 VanDerWaalsContact CZ3-CE1 3.43Å; W744-Y782 HydrophobicContact CZ3-CE2 4.12Å; W744-Y782 AromaticContact CZ3-CZ 3.39Å; W744-Y782 WeakPolarHBondContact CZ3-OH 3.45Å; G748-Y782 PolarHBondContact O-OH 2.79Å; S764-Y782 WeakPolarHBondContact O-CA 3.46Å; E765-Y782 HydrophobicContact CB-CD1 4.39Å; E765-Y782 HydrophobicContact CB-CE1 3.93Å; E765-Y782 HydrophobicContact CG-CE1 4.49Å
783I92.3Very high77.3Confident40 Ų4073.2 Ų73.221%0.20539%0.39CS..EExtended strand (participates in β ladder)trans-116.7145.9-179.456.2174.1000110.4W763 S764 Q766 S785 V835W763-I783 CarbonylContact C-O 3.43Å; W763-I783 VanDerWaalsContact CA-O 3.28Å; W763-I783 WeakPolarHBondContact CA-O 3.42Å; S764-I783 PolarHBondContact N-O 3.43Å; S764-I783 PolarHBondContact O-N 3.38Å; Q766-I783 HydrophobicContact CB-CD1 4.23Å; Q766-I783 HydrophobicContact CB-CG1 4.28Å; Q766-I783 HydrophobicContact CB-CG2 4.29Å; Q766-I783 HydrophobicContact CG-CD1 4.17Å; I783-S785 PolarHBondContact O-N 2.82Å; I783-S785 VanDerWaalsContact O-N 3.07Å; I783-V835 HydrophobicContact CD1-CB 3.75Å; I783-V835 HydrophobicContact CD1-CG2 3.94Å
784L93.6Very high80Confident31 Ų3165.9 Ų65.916%0.16236%0.356CS..EExtended strand (participates in β ladder)trans-61.5116.6176.8-176.670.6000108.3H734 W763 Y787 P837H734-L784 WeakPolarHBondContact ND1-CD2 3.3Å; W763-L784 HydrophobicContact CD2-CB 4.44Å; W763-L784 HydrophobicContact CD2-CD1 4.27Å; W763-L784 HydrophobicContact CE3-CB 3.93Å; W763-L784 HydrophobicContact CH2-CB 4.03Å; W763-L784 HydrophobicContact CH2-CD1 4.29Å; W763-L784 HydrophobicContact CZ2-CD1 3.99Å; W763-L784 HydrophobicContact CZ3-CB 3.71Å; L784-Y787 HydrophobicContact CD2-CD1 4.43Å; L784-P837 HydrophobicContact CB-CB 4.48Å; L784-P837 HydrophobicContact CD2-CB 4.04Å; L784-P837 HydrophobicContact CD2-CG 4.3Å; L784-P837 HydrophobicContact CG-CB 3.96Å; L784-P837 WeakPolarHBondContact O-CB 3.49Å
785S91.4Very high82.8Confident1 Ų166.4 Ų66.41%0.00735%0.349CS..EExtended strand (participates in β ladder)trans-108.4-31.1-175.762.70000112.4L762 S764 I783 P837 E838L762-S785 PolarHBondContact O-N 2.93Å; L762-S785 PolarHBondContact O-OG 2.94Å; L762-S785 VanDerWaalsContact O-OG 3.05Å; S764-S785 WeakPolarHBondContact OG-CB 3.38Å; S764-S785 PolarHBondContact OG-OG 2.77Å; I783-S785 PolarHBondContact O-N 2.82Å; I783-S785 VanDerWaalsContact O-N 3.07Å; S785-P837 CarbonylContact O-C 3.54Å; S785-P837 WeakPolarHBondContact O-CA 3.47Å; S785-E838 PolarHBondContact O-N 2.85Å
786A93.1Very high85.5Confident0 Ų064.1 Ų64.10%033%0.33CS..EExtended strand (participates in β ladder)trans-152.2155.9176.100000113.8W760 L762 V826 E838 L840W760-A786 HydrophobicContact CH2-CB 4.18Å; W760-A786 HydrophobicContact CZ3-CB 4.06Å; L762-A786 HydrophobicContact CB-CB 4.04Å; L762-A786 HydrophobicContact CD2-CB 4.09Å; L762-A786 PolarHBondContact N-O 2.73Å; L762-A786 PolarHBondContact O-N 2.99Å; A786-V826 HydrophobicContact CB-CG2 4.39Å; A786-E838 WeakPolarHBondContact CA-O 3.21Å; A786-E838 WeakPolarHBondContact CB-O 3.36Å; A786-L840 HydrophobicContact CB-CD1 3.66Å; A786-L840 HydrophobicContact CB-CG 3.94Å
787Y93.9Very high88Confident81 Ų8158.9 Ų58.932%0.31830%0.302SS..EExtended strand (participates in β ladder)trans-153162.2175.362-87.2000109.9W760 L784 P837 E838 A839 L840W760-Y787 VanDerWaalsContact CH2-C 3.41Å; L784-Y787 HydrophobicContact CD2-CD1 4.43Å; Y787-P837 HydrophobicContact CD1-CB 3.9Å; Y787-P837 HydrophobicContact CE1-CB 3.76Å; Y787-P837 HydrophobicContact CE1-CG 4.1Å; Y787-E838 PolarHBondContact N-O 3.33Å; Y787-E838 VanDerWaalsContact N-O 3.08Å; Y787-A839 HydrophobicContact CD2-CB 4.37Å; Y787-A839 HydrophobicContact CE1-CB 4.46Å; Y787-A839 HydrophobicContact CE2-CB 3.75Å; Y787-A839 CarbonylContact O-C 3.58Å; Y787-A839 VanDerWaalsContact O-CA 3.28Å; Y787-A839 WeakPolarHBondContact O-CA 3.21Å; Y787-L840 PolarHBondContact O-N 2.99Å
788P93.6Very high90Very high8 Ų850.2 Ų50.25%0.05226%0.261CS..EExtended strand (participates in β ladder)trans-74.6143.3-179.426.9-31.9000111.7T759 W760 K790 W822T759-P788 HydrophobicContact CG2-CG 4.41Å; W760-P788 HydrophobicContact CD2-CG 4.31Å; W760-P788 HydrophobicContact CG-CG 4.31Å; W760-P788 HydrophobicContact CZ2-CB 3.92Å; W760-P788 HydrophobicContact CZ2-CG 4.41Å; W760-P788 WeakPolarHBondContact O-CD 3.41Å; P788-K790 PolarHBondContact O-N 2.92Å; P788-W822 HydrophobicContact CB-CH2 3.95Å; P788-W822 HydrophobicContact CB-CZ3 4.2Å
789I90Very high91.5Very high49 Ų4947.4 Ų47.425%0.25125%0.246SC..PPolyproline II helixtrans-58.2138.2168.7-71.2161.1000110G791 Q792 A839 L840 R841I789-G791 PolarHBondContact O-N 3.35Å; I789-G791 VanDerWaalsContact O-N 3.16Å; I789-Q792 HydrophobicContact CB-CB 4.15Å; I789-Q792 HydrophobicContact CB-CG 4.13Å; I789-Q792 HydrophobicContact CG2-CG 4.06Å; I789-Q792 WeakPolarHBondContact O-CB 3.43Å; I789-Q792 PolarHBondContact O-N 2.86Å; I789-A839 HydrophobicContact CD1-CB 4.5Å; I789-A839 WeakPolarHBondContact CD1-O 3.41Å; I789-A839 HydrophobicContact CG1-CB 3.54Å; I789-L840 PolarHBondContact N-O 2.87Å; I789-L840 VanDerWaalsContact N-O 3.08Å; I789-R841 HydrophobicContact CD1-CB 4.48Å; I789-R841 HydrophobicContact CD1-CG 3.39Å
790K85.3Confident92.4Very high210 Ų21047 Ų4791%0.91324%0.244SC*.THydrogen-bonded Turntrans-54.5122177.5-164.1174.8-176.41780110.4P788P788-K790 PolarHBondContact O-N 2.92Å
791G84Confident93.1Very high76 Ų7646.1 Ų46.178%0.78424%0.238SC*.THydrogen-bonded Turntrans87.1-6.9-177.800000115.8I789I789-G791 PolarHBondContact O-N 3.35Å; I789-G791 VanDerWaalsContact O-N 3.16Å
792Q88.4Confident93.5Very high84 Ų8443.6 Ų43.639%0.39323%0.225SC..SBendtrans-98.7-2175.1-70.2-69.7-29.300113.4I789I789-Q792 HydrophobicContact CB-CB 4.15Å; I789-Q792 HydrophobicContact CB-CG 4.13Å; I789-Q792 HydrophobicContact CG2-CG 4.06Å; I789-Q792 WeakPolarHBondContact O-CB 3.43Å; I789-Q792 PolarHBondContact O-N 2.86Å
793S91Very high93.7Very high20 Ų2043.9 Ų43.914%0.1423%0.226CC..SBendtrans-79.8179.8174.4-157.10000112.2R758R758-S793 WeakPolarHBondContact O-CB 3.28Å; R758-S793 PolarHBondContact O-OG 2.91Å
794H95.6Very high93.7Very high7 Ų742 Ų423%0.03222%0.217CC..  trans-59.1151.3173-75.2-78.4000112.3R796 I798 T812 S814 D816 S818 Y820H794-R796 VanDerWaalsContact C-N 3.35Å; H794-I798 HydrophobicContact CB-CG1 4.04Å; H794-T812 PolarHBondContact CD2-OG1 2.57Å; H794-T812 PolarHBondContact NE2-O 3.03Å; H794-T812 PolarHBondContact NE2-OG1 3.48Å; H794-S814 VanDerWaalsContact CG-CB 3.4Å; H794-S814 WeakPolarHBondContact ND1-CB 3.35Å; H794-D816 WeakPolarHBondContact CB-OD2 3.36Å; H794-D816 IonicContact CE1-OD1 3.79Å; H794-D816 IonicContact CG-OD2 3.35Å; H794-D816 IonicContact ND1-OD1 3.28Å; H794-D816 PolarHBondContact ND1-OD1 3.47Å; H794-D816 IonicContact ND1-OD2 3.69Å; H794-D816 PolarHBondContact ND1-OD2 3.49Å; H794-S818 PolarHBondContact CE1-O 2.69Å; H794-S818 PolarHBondContact CE1-OG 2.78Å; H794-S818 PolarHBondContact ND1-OG 3.18Å; H794-S818 VanDerWaalsContact ND1-OG 3.16Å; H794-Y820 HydrophobicContact CB-CE2 4.48Å; H794-Y820 AromaticContact CD2-CD2 3.72Å; H794-Y820 AromaticContact CE1-CD1 3.51Å; H794-Y820 AromaticContact CE1-CD2 3.47Å; H794-Y820 VanDerWaalsContact CE1-CD2 3.47Å; H794-Y820 WeakPolarHBondContact CE1-CD2 3.46Å; H794-Y820 AromaticContact CE1-CE1 3.83Å; H794-Y820 AromaticContact CE1-CE2 3.81Å; H794-Y820 AromaticContact CE1-CG 3.3Å; H794-Y820 AromaticContact CE1-CZ 3.97Å; H794-Y820 AromaticContact CG-CD2 3.9Å; H794-Y820 AromaticContact CG-CE2 3.83Å; H794-Y820 AromaticContact ND1-CD2 3.73Å; H794-Y820 AromaticContact ND1-CE1 3.94Å; H794-Y820 AromaticContact ND1-CE2 3.61Å; H794-Y820 AromaticContact ND1-CG 3.97Å; H794-Y820 AromaticContact ND1-CZ 3.7Å; H794-Y820 AromaticContact NE2-CD2 3.46Å; H794-Y820 WeakPolarHBondContact NE2-CD2 3.41Å; H794-Y820 AromaticContact NE2-CG 3.45Å
795S95.2Very high93.5Very high77 Ų7741.8 Ų41.854%0.53822%0.217SC..SBendtrans-80.1-20.5-179.864.10000112.9R758 D816R758-S795 WeakPolarHBondContact CD-O 3.06Å; S795-D816 PolarHBondContact N-OD2 3.32Å; S795-D816 WeakPolarHBondContact OG-CB 3.47Å; S795-D816 PolarHBondContact OG-OD2 3.43Å
796R96.8Very high93.3Very high150 Ų15043.3 Ų43.357%0.56623%0.225SC*.SBendtrans-129-179179.5-61.4-83-173.8171-0.8110.1R758 H794 I798 R815 D816R758-R796 WeakPolarHBondContact CG-O 3.35Å; H794-R796 VanDerWaalsContact C-N 3.35Å; R796-I798 PolarHBondContact O-N 3.36Å; R796-R815 HydrophobicContact CB-CB 3.82Å; R796-R815 HydrophobicContact CB-CG 4.37Å; R796-D816 HydrophobicContact CB-CB 3.98Å; R796-D816 HydrophobicContact CG-CB 3.84Å
797I97Very high93.2Very high24 Ų2443.9 Ų43.912%0.12323%0.228CC..  trans-51.9132.8179.1-67.6167.5000110T740 R756 W799 S814 R815T740-I797 HydrophobicContact CG2-CG2 4.48Å; R756-I797 HydrophobicContact CB-CG1 4.31Å; R756-I797 HydrophobicContact CB-CG2 4.45Å; R756-I797 HydrophobicContact CG-CD1 4.46Å; R756-I797 HydrophobicContact CG-CG2 4.06Å; I797-W799 HydrophobicContact CD1-CZ2 4.39Å; I797-W799 HydrophobicContact CG2-CD2 3.82Å; I797-W799 HydrophobicContact CG2-CE3 4.02Å; I797-W799 HydrophobicContact CG2-CG 4.36Å; I797-W799 HydrophobicContact CG2-CH2 4.23Å; I797-W799 HydrophobicContact CG2-CZ2 4.05Å; I797-W799 HydrophobicContact CG2-CZ3 4.22Å; I797-S814 WeakPolarHBondContact O-CA 3.4Å; I797-S814 PolarHBondContact O-OG 2.88Å; I797-R815 HydrophobicContact CB-CB 4.42Å; I797-R815 PolarHBondContact O-N 2.83Å
798I98.3Very high93.1Very high0 Ų043.8 Ų43.80%023%0.229CC..EExtended strand (participates in β ladder)trans-84.2124.1167.4-50.1-180000106.4T740 V754 W760 H794 R796 T812 G813T740-I798 PolarHBondContact OG1-O 2.89Å; V754-I798 HydrophobicContact CB-CB 4.07Å; V754-I798 HydrophobicContact CB-CG2 3.62Å; V754-I798 HydrophobicContact CG1-CG2 3.71Å; V754-I798 HydrophobicContact CG2-CG2 4.19Å; W760-I798 HydrophobicContact CB-CD1 4.45Å; H794-I798 HydrophobicContact CB-CG1 4.04Å; R796-I798 PolarHBondContact O-N 3.36Å; I798-T812 HydrophobicContact CG2-CG2 4.43Å; I798-G813 WeakPolarHBondContact CG2-O 3.32Å
799W97.9Very high93.1Very high49 Ų4944.2 Ų44.219%0.18623%0.23CC..EExtended strand (participates in β ladder)trans-94.6-40.5180-75.2123.4000111.8T740 I797 G813T740-W799 HydrophobicContact CG2-CE3 3.99Å; T740-W799 HydrophobicContact CG2-CZ3 4.12Å; T740-W799 PolarHBondContact OG1-O 2.98Å; T740-W799 VanDerWaalsContact OG1-O 3.04Å; I797-W799 HydrophobicContact CD1-CZ2 4.39Å; I797-W799 HydrophobicContact CG2-CD2 3.82Å; I797-W799 HydrophobicContact CG2-CE3 4.02Å; I797-W799 HydrophobicContact CG2-CG 4.36Å; I797-W799 HydrophobicContact CG2-CH2 4.23Å; I797-W799 HydrophobicContact CG2-CZ2 4.05Å; I797-W799 HydrophobicContact CG2-CZ3 4.22Å; W799-G813 PolarHBondContact N-O 2.8Å
800T98.2Very high93.4Very high2 Ų241.9 Ų41.91%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-139.7154.8-165.8-173.40000113.1Q741 T812 G813 V853 T854 I856Q741-T800 VanDerWaalsContact OE1-CB 3.28Å; Q741-T800 PolarHBondContact OE1-OG1 3.19Å; T800-T812 WeakPolarHBondContact O-CA 3.4Å; T800-G813 PolarHBondContact N-O 2.83Å; T800-G813 PolarHBondContact O-N 2.78Å; T800-V853 HydrophobicContact CG2-CG1 4.34Å; T800-T854 WeakPolarHBondContact CB-O 3.48Å; T800-I856 HydrophobicContact CG2-CB 4.08Å; T800-I856 HydrophobicContact CG2-CD1 3.92Å; T800-I856 HydrophobicContact CG2-CG1 3.7Å; T800-I856 PolarHBondContact OG1-N 2.6Å; T800-I856 VanDerWaalsContact OG1-N 3.13Å
801C98Very high93.9Very high1 Ų131.9 Ų31.91%0.00718%0.175CC..EExtended strand (participates in β ladder)trans-145154.4170.659.90000112.2Q741 L752 V754 F811 T812Q741-C801 PolarHBondContact NE2-O 2.92Å; L752-C801 HydrophobicContact CD2-CB 3.53Å; L752-C801 HydrophobicContact CG-CB 4.28Å; V754-C801 HydrophobicContact CG1-CB 3.64Å; V754-C801 HydrophobicContact CG2-CB 4.24Å; C801-F811 WeakPolarHBondContact CA-O 3.11Å; C801-F811 WeakPolarHBondContact CB-O 3.33Å; C801-T812 HydrophobicContact CB-CG2 4.36Å
802A97.2Very high94.6Very high4 Ų428.3 Ų28.33%0.03314%0.137CC..EExtended strand (participates in β ladder)trans-147.8148.3176.500000110.7F810 F811 I856 V858A802-F810 CarbonylContact O-C 3.59Å; A802-F810 WeakPolarHBondContact O-CA 3.38Å; A802-F811 PolarHBondContact N-O 3.4Å; A802-F811 VanDerWaalsContact N-O 3.11Å; A802-F811 PolarHBondContact O-N 2.7Å; A802-I856 HydrophobicContact CB-CG2 4.07Å; A802-V858 HydrophobicContact CB-CG2 4.06Å
803W96Very high95.1Very high8 Ų824.3 Ų24.33%0.0312%0.119CC..EExtended strand (participates in β ladder)trans-89.6149176.2-75.994.8000110.9A743 W744 R750 L752 L762 D807 F810 A824A743-W803 PolarHBondContact O-NE1 2.84Å; W744-W803 PolarHBondContact O-NE1 2.71Å; R750-W803 HydrophobicContact CB-CH2 3.76Å; R750-W803 HydrophobicContact CB-CZ2 3.93Å; R750-W803 HydrophobicContact CG-CH2 4.48Å; L752-W803 HydrophobicContact CB-CZ2 3.89Å; L762-W803 HydrophobicContact CD1-CH2 3.59Å; L762-W803 HydrophobicContact CD1-CZ2 3.59Å; W803-D807 HydrophobicContact CE3-CB 4.34Å; W803-D807 HydrophobicContact CZ3-CB 4.5Å; W803-F810 HydrophobicContact CD2-CB 4.25Å; W803-F810 HydrophobicContact CE3-CB 4.21Å; W803-A824 HydrophobicContact CE3-CB 4.38Å; W803-A824 HydrophobicContact CH2-CB 4.01Å; W803-A824 HydrophobicContact CZ3-CB 3.42Å; W803-A824 VanDerWaalsContact CZ3-CB 3.42Å
804S93.7Very high95.4Very high0 Ų023.3 Ų23.30%011%0.112CC..  trans-67.2150.1162.765.70000109.4H746 D806 D807 K808 Y809H746-S804 PolarHBondContact CE1-O 3.44Å; H746-S804 PolarHBondContact ND1-O 2.85Å; S804-D806 WeakPolarHBondContact CB-OD1 3.49Å; S804-D806 PolarHBondContact O-N 2.94Å; S804-D806 PolarHBondContact OG-OD1 2.86Å; S804-D807 PolarHBondContact O-N 2.81Å; S804-D807 PolarHBondContact OG-N 2.92Å; S804-K808 PolarHBondContact OG-N 2.92Å; S804-Y809 PolarHBondContact N-O 3.29Å; S804-Y809 PolarHBondContact OG-N 2.85Å; S804-Y809 PolarHBondContact OG-O 3.29Å
805P89.1Confident95.5Very high26 Ų2628.7 Ų28.717%0.16913%0.132CC..THydrogen-bonded Turntrans-57.1-21.4179.6-24.331.5000114.3C859 E860 Y873P805-C859 VanDerWaalsContact CG-C 3.47Å; P805-E860 HydrophobicContact CB-CB 4.34Å; P805-E860 HydrophobicContact CG-CB 4.14Å; P805-E860 VanDerWaalsContact CG-N 3.27Å; P805-Y873 HydrophobicContact CG-CD1 4.34Å
806D88Confident95.5Very high34 Ų3426.6 Ų26.618%0.18212%0.115CC..THydrogen-bonded Turntrans-102.99.7179.269.5-13.2000114.4S804 K808 R871 Y873S804-D806 WeakPolarHBondContact CB-OD1 3.49Å; S804-D806 PolarHBondContact O-N 2.94Å; S804-D806 PolarHBondContact OG-OD1 2.86Å; D806-K808 PolarHBondContact O-N 3Å; D806-K808 PolarHBondContact OD1-N 2.79Å; D806-K808 VanDerWaalsContact OD2-CD 3.24Å; D806-K808 WeakPolarHBondContact OD2-CD 3.28Å; D806-K808 VanDerWaalsContact OD2-CE 3.3Å; D806-K808 WeakPolarHBondContact OD2-CE 3.41Å; D806-K808 IonicContact OD2-NZ 2.64Å; D806-K808 PolarHBondContact OD2-NZ 2.82Å; D806-R871 VanDerWaalsContact CG-NH1 3.31Å; D806-R871 IonicContact OD2-CZ 3.61Å; D806-R871 IonicContact OD2-NH1 2.7Å; D806-R871 PolarHBondContact OD2-NH1 3.15Å; D806-Y873 PolarHBondContact OD2-OH 2.94Å
807D91.1Very high95.5Very high11 Ų1120.9 Ų20.96%0.05910%0.097CC..SBendtrans55.712.7179-61.9-37.9000115.9H746 D747 R750 W803 S804 A824H746-D807 WeakPolarHBondContact CB-OD2 3.29Å; H746-D807 IonicContact CE1-OD1 3.63Å; H746-D807 IonicContact CG-OD1 2.6Å; H746-D807 VanDerWaalsContact N-CG 3.33Å; H746-D807 PolarHBondContact N-OD1 3.23Å; H746-D807 PolarHBondContact N-OD2 2.72Å; H746-D807 VanDerWaalsContact N-OD2 3.07Å; H746-D807 IonicContact ND1-OD1 3.57Å; H746-D807 PolarHBondContact ND1-OD1 2.94Å; D747-D807 WeakPolarHBondContact CB-OD2 3.46Å; D747-D807 PolarHBondContact N-OD2 2.86Å; R750-D807 PolarHBondContact NH2-O 2.77Å; W803-D807 HydrophobicContact CE3-CB 4.34Å; W803-D807 HydrophobicContact CZ3-CB 4.5Å; S804-D807 PolarHBondContact O-N 2.81Å; S804-D807 PolarHBondContact OG-N 2.92Å; D807-A824 WeakPolarHBondContact O-CB 3.43Å
808K89.8Confident95.5Very high80 Ų8019.8 Ų19.835%0.3489%0.092SC..SBendtrans-78.1-29.5177.9-68.1-175.6-165.9151.70113S804 D806 N823 A824S804-K808 PolarHBondContact OG-N 2.92Å; D806-K808 PolarHBondContact O-N 3Å; D806-K808 PolarHBondContact OD1-N 2.79Å; D806-K808 VanDerWaalsContact OD2-CD 3.24Å; D806-K808 WeakPolarHBondContact OD2-CD 3.28Å; D806-K808 VanDerWaalsContact OD2-CE 3.3Å; D806-K808 WeakPolarHBondContact OD2-CE 3.41Å; D806-K808 IonicContact OD2-NZ 2.64Å; D806-K808 PolarHBondContact OD2-NZ 2.82Å; K808-N823 PolarHBondContact O-OD1 2.83Å; K808-A824 VanDerWaalsContact O-CB 3.27Å; K808-A824 WeakPolarHBondContact O-CB 3.32Å; K808-A824 PolarHBondContact O-N 3.15Å
809Y94Very high95.4Very high17 Ų1719.8 Ų19.87%0.0679%0.092CC..EExtended strand (participates in β ladder)trans-130.2157.8-176.5-50.3-74.2000110.3S804 W822 L843 Y873 E891 F898 F899S804-Y809 PolarHBondContact N-O 3.29Å; S804-Y809 PolarHBondContact OG-N 2.85Å; S804-Y809 PolarHBondContact OG-O 3.29Å; Y809-W822 WeakPolarHBondContact CA-O 3.33Å; Y809-L843 HydrophobicContact CD1-CD1 3.64Å; Y809-L843 HydrophobicContact CE1-CD1 3.76Å; Y809-Y873 HydrophobicContact CD2-CE2 4.41Å; Y809-E891 PolarHBondContact OH-OE1 3.2Å; Y809-F898 AromaticContact CE1-CE1 3.8Å; Y809-F898 HydrophobicContact CE1-CE1 3.8Å; Y809-F898 HydrophobicContact CE1-CZ 4.24Å; Y809-F898 AromaticContact CZ-CE1 3.65Å; Y809-F898 VanDerWaalsContact OH-CE1 3.27Å; Y809-F898 WeakPolarHBondContact OH-CE1 3.28Å; Y809-F898 WeakPolarHBondContact OH-CZ 3.38Å; Y809-F899 HydrophobicContact CD2-CZ 4.05Å; Y809-F899 HydrophobicContact CE2-CZ 4.01Å; Y809-F899 HydrophobicContact CG-CZ 4.38Å
810F96.5Very high95.3Very high0 Ų018.1 Ų18.10%09%0.086CC..EExtended strand (participates in β ladder)trans-136153.5164.464.7-90.7000110.1L752 W760 A802 W803 T812 W822 A824L752-F810 HydrophobicContact CD1-CD2 3.93Å; L752-F810 HydrophobicContact CD1-CE2 3.81Å; L752-F810 HydrophobicContact CD1-CG 4.45Å; L752-F810 HydrophobicContact CD1-CZ 4.26Å; L752-F810 HydrophobicContact CD2-CB 3.82Å; L752-F810 HydrophobicContact CD2-CD2 3.53Å; L752-F810 HydrophobicContact CD2-CE2 4.26Å; L752-F810 HydrophobicContact CD2-CG 3.81Å; L752-F810 HydrophobicContact CG-CD2 4.41Å; W760-F810 AromaticContact CD2-CE2 3.88Å; W760-F810 HydrophobicContact CD2-CE2 3.88Å; W760-F810 AromaticContact CD2-CZ 3.9Å; W760-F810 HydrophobicContact CD2-CZ 3.9Å; W760-F810 AromaticContact CE2-CZ 3.9Å; W760-F810 HydrophobicContact CE3-CE2 4.09Å; W760-F810 AromaticContact CE3-CZ 3.75Å; W760-F810 HydrophobicContact CE3-CZ 3.75Å; W760-F810 HydrophobicContact CG-CE2 4.32Å; W760-F810 AromaticContact CH2-CZ 3.8Å; W760-F810 HydrophobicContact CH2-CZ 3.8Å; W760-F810 HydrophobicContact CZ2-CE2 4.43Å; W760-F810 AromaticContact CZ2-CZ 3.87Å; W760-F810 HydrophobicContact CZ2-CZ 3.87Å; W760-F810 HydrophobicContact CZ3-CE2 4.48Å; W760-F810 AromaticContact CZ3-CZ 3.71Å; W760-F810 HydrophobicContact CZ3-CZ 3.71Å; A802-F810 CarbonylContact O-C 3.59Å; A802-F810 WeakPolarHBondContact O-CA 3.38Å; W803-F810 HydrophobicContact CD2-CB 4.25Å; W803-F810 HydrophobicContact CE3-CB 4.21Å; F810-T812 HydrophobicContact CD2-CG2 4.17Å; F810-T812 HydrophobicContact CE2-CG2 4.23Å; F810-W822 HydrophobicContact CD1-CB 3.94Å; F810-W822 HydrophobicContact CD2-CB 3.84Å; F810-W822 AromaticContact CD2-CD1 3.61Å; F810-W822 AromaticContact CD2-CG 3.97Å; F810-W822 HydrophobicContact CD2-CG 3.97Å; F810-W822 HydrophobicContact CE1-CB 3.47Å; F810-W822 VanDerWaalsContact CE1-CB 3.47Å; F810-W822 HydrophobicContact CE1-CG 4.33Å; F810-W822 HydrophobicContact CE2-CB 3.38Å; F810-W822 AromaticContact CE2-CD1 3.27Å; F810-W822 HydrophobicContact CE2-CD2 4.23Å; F810-W822 AromaticContact CE2-CG 3.34Å; F810-W822 HydrophobicContact CE2-CG 3.34Å; F810-W822 HydrophobicContact CG-CB 4.11Å; F810-W822 HydrophobicContact CZ-CB 3.18Å; F810-W822 AromaticContact CZ-CD1 3.99Å; F810-W822 HydrophobicContact CZ-CD2 4.34Å; F810-W822 AromaticContact CZ-CG 3.56Å; F810-W822 HydrophobicContact CZ-CG 3.56Å; F810-W822 PolarHBondContact N-O 3.09Å; F810-W822 PolarHBondContact O-N 3.49Å; F810-A824 HydrophobicContact CD1-CB 4Å
811F97.2Very high95.2Very high0 Ų018 Ų180%09%0.085CC..EExtended strand (participates in β ladder)trans-116.9143.9-177-56.6-83000110C801 A802 I819 Y820 C821 V858 M875 L889 W901C801-F811 WeakPolarHBondContact CA-O 3.11Å; C801-F811 WeakPolarHBondContact CB-O 3.33Å; A802-F811 PolarHBondContact N-O 3.4Å; A802-F811 VanDerWaalsContact N-O 3.11Å; A802-F811 PolarHBondContact O-N 2.7Å; F811-I819 HydrophobicContact CB-CG2 4.29Å; F811-Y820 VanDerWaalsContact CA-O 3.3Å; F811-Y820 WeakPolarHBondContact CA-O 3.44Å; F811-C821 HydrophobicContact CD1-CB 3.94Å; F811-C821 HydrophobicContact CE1-CB 3.85Å; F811-C821 VanDerWaalsContact CE1-SG 3.55Å; F811-V858 HydrophobicContact CD2-CG2 3.7Å; F811-V858 HydrophobicContact CE2-CG1 4.32Å; F811-V858 HydrophobicContact CE2-CG2 3.99Å; F811-M875 HydrophobicContact CB-CE 3.84Å; F811-M875 HydrophobicContact CD1-CE 3.45Å; F811-M875 VanDerWaalsContact CD1-CE 3.45Å; F811-M875 HydrophobicContact CD2-CE 3.63Å; F811-M875 HydrophobicContact CE1-CE 3.81Å; F811-M875 HydrophobicContact CE2-CE 3.99Å; F811-M875 HydrophobicContact CG-CE 3.33Å; F811-M875 HydrophobicContact CZ-CE 4.07Å; F811-L889 HydrophobicContact CD1-CD2 4.46Å; F811-L889 HydrophobicContact CE1-CD2 3.5Å; F811-L889 VanDerWaalsContact CE1-CD2 3.5Å; F811-L889 HydrophobicContact CZ-CD2 3.69Å; F811-W901 HydrophobicContact CD1-CH2 4.06Å; F811-W901 AromaticContact CE1-CH2 3.96Å; F811-W901 HydrophobicContact CE1-CH2 3.96Å
812T98.1Very high95Very high0 Ų018 Ų180%09%0.085CC..EExtended strand (participates in β ladder)trans-126.4130.2176.256.80000110.3V754 H794 I798 T800 C801 F810 I819 Y820 W822V754-T812 HydrophobicContact CG1-CG2 3.97Å; H794-T812 PolarHBondContact CD2-OG1 2.57Å; H794-T812 PolarHBondContact NE2-O 3.03Å; H794-T812 PolarHBondContact NE2-OG1 3.48Å; I798-T812 HydrophobicContact CG2-CG2 4.43Å; T800-T812 WeakPolarHBondContact O-CA 3.4Å; C801-T812 HydrophobicContact CB-CG2 4.36Å; F810-T812 HydrophobicContact CD2-CG2 4.17Å; F810-T812 HydrophobicContact CE2-CG2 4.23Å; T812-I819 VanDerWaalsContact O-CA 3.31Å; T812-I819 WeakPolarHBondContact O-CA 3.39Å; T812-Y820 PolarHBondContact N-O 3.27Å; T812-Y820 PolarHBondContact O-N 2.73Å; T812-W822 PolarHBondContact OG1-NE1 3.29Å
813G97.7Very high94.7Very high0 Ų020 Ų200%010%0.095CC..EExtended strand (participates in β ladder)trans-108.9137.7177.500000111.5I798 W799 T800I798-G813 WeakPolarHBondContact CG2-O 3.32Å; W799-G813 PolarHBondContact N-O 2.8Å; T800-G813 PolarHBondContact N-O 2.83Å; T800-G813 PolarHBondContact O-N 2.78Å
814S97.9Very high94.2Very high0 Ų019.7 Ų19.70%09%0.094CC..EExtended strand (participates in β ladder)trans-134.9159.9-168164.70000113.8H794 I797 D816 S817 S818 V853H794-S814 VanDerWaalsContact CG-CB 3.4Å; H794-S814 WeakPolarHBondContact ND1-CB 3.35Å; I797-S814 WeakPolarHBondContact O-CA 3.4Å; I797-S814 PolarHBondContact O-OG 2.88Å; S814-D816 WeakPolarHBondContact CB-OD1 3.35Å; S814-D816 PolarHBondContact O-N 3.4Å; S814-D816 PolarHBondContact OG-N 2.72Å; S814-D816 VanDerWaalsContact OG-N 3.09Å; S814-D816 PolarHBondContact OG-OD1 3.14Å; S814-D816 PolarHBondContact OG-OD2 2.68Å; S814-S817 PolarHBondContact O-N 3.02Å; S814-S817 VanDerWaalsContact O-N 3.16Å; S814-S818 PolarHBondContact N-O 2.78Å; S814-V853 PolarHBondContact O-N 3.43Å
815R97.7Very high93.5Very high120 Ų12023.2 Ų23.245%0.45312%0.116SC..THydrogen-bonded Turntrans-63.2-13.5170.6-173.2172.5-177.1-171.92.8114.1R796 I797 S817 S852R796-R815 HydrophobicContact CB-CB 3.82Å; R796-R815 HydrophobicContact CB-CG 4.37Å; I797-R815 HydrophobicContact CB-CB 4.42Å; I797-R815 PolarHBondContact O-N 2.83Å; R815-S817 PolarHBondContact O-N 3.29Å; R815-S852 WeakPolarHBondContact CA-OG 3.47Å
816D95.9Very high92.5Very high33 Ų3323.3 Ų23.318%0.17612%0.116CC..THydrogen-bonded Turntrans-8213.9172.365.79.2000114.2H794 S795 R796 S814 S818H794-D816 WeakPolarHBondContact CB-OD2 3.36Å; H794-D816 IonicContact CE1-OD1 3.79Å; H794-D816 IonicContact CG-OD2 3.35Å; H794-D816 IonicContact ND1-OD1 3.28Å; H794-D816 PolarHBondContact ND1-OD1 3.47Å; H794-D816 IonicContact ND1-OD2 3.69Å; H794-D816 PolarHBondContact ND1-OD2 3.49Å; S795-D816 PolarHBondContact N-OD2 3.32Å; S795-D816 WeakPolarHBondContact OG-CB 3.47Å; S795-D816 PolarHBondContact OG-OD2 3.43Å; R796-D816 HydrophobicContact CB-CB 3.98Å; R796-D816 HydrophobicContact CG-CB 3.84Å; S814-D816 WeakPolarHBondContact CB-OD1 3.35Å; S814-D816 PolarHBondContact O-N 3.4Å; S814-D816 PolarHBondContact OG-N 2.72Å; S814-D816 VanDerWaalsContact OG-N 3.09Å; S814-D816 PolarHBondContact OG-OD1 3.14Å; S814-D816 PolarHBondContact OG-OD2 2.68Å; D816-S818 VanDerWaalsContact CG-OG 3.3Å; D816-S818 PolarHBondContact O-N 3.19Å; D816-S818 WeakPolarHBondContact OD1-CB 3.16Å; D816-S818 PolarHBondContact OD1-N 2.9Å; D816-S818 PolarHBondContact OD1-OG 2.94Å
817S96.7Very high91.2Very high29 Ų2929.7 Ų29.720%0.20314%0.142CC..SBendtrans64.723.6177.4-46.90000113.8S814 R815 K851 S852S814-S817 PolarHBondContact O-N 3.02Å; S814-S817 VanDerWaalsContact O-N 3.16Å; R815-S817 PolarHBondContact O-N 3.29Å; S817-K851 VanDerWaalsContact CA-O 3.29Å; S817-K851 WeakPolarHBondContact CA-O 3.27Å; S817-K851 VanDerWaalsContact CB-O 3.22Å; S817-K851 WeakPolarHBondContact CB-O 3.5Å; S817-K851 PolarHBondContact OG-O 3.49Å; S817-S852 PolarHBondContact OG-N 2.9Å
818S96.2Very high89.4Confident1 Ų135.3 Ų35.31%0.00717%0.17CC..  trans-123.5152.8-179.173.20000113.1H794 S814 D816 Y820 Y846H794-S818 PolarHBondContact CE1-O 2.69Å; H794-S818 PolarHBondContact CE1-OG 2.78Å; H794-S818 PolarHBondContact ND1-OG 3.18Å; H794-S818 VanDerWaalsContact ND1-OG 3.16Å; S814-S818 PolarHBondContact N-O 2.78Å; D816-S818 VanDerWaalsContact CG-OG 3.3Å; D816-S818 PolarHBondContact O-N 3.19Å; D816-S818 WeakPolarHBondContact OD1-CB 3.16Å; D816-S818 PolarHBondContact OD1-N 2.9Å; D816-S818 PolarHBondContact OD1-OG 2.94Å; S818-Y820 WeakPolarHBondContact OG-CE1 3.45Å; S818-Y846 VanDerWaalsContact CA-O 3.28Å; S818-Y846 WeakPolarHBondContact CA-O 3.35Å; S818-Y846 WeakPolarHBondContact CB-O 3.3Å
819I97.3Very high87.5Confident0 Ų039.7 Ų39.70%019%0.192CC..EExtended strand (participates in β ladder)trans-114125.3170.4-54.7178.3000107.6F811 T812 T845 Y846 L849 V853 I856 M875 V877 L887 W901F811-I819 HydrophobicContact CB-CG2 4.29Å; T812-I819 VanDerWaalsContact O-CA 3.31Å; T812-I819 WeakPolarHBondContact O-CA 3.39Å; I819-T845 WeakPolarHBondContact O-CA 3.47Å; I819-Y846 PolarHBondContact N-O 3.44Å; I819-Y846 PolarHBondContact O-N 3.14Å; I819-L849 HydrophobicContact CD1-CD1 3.73Å; I819-L849 HydrophobicContact CG1-CD1 3.89Å; I819-V853 HydrophobicContact CD1-CG1 4.47Å; I819-V853 HydrophobicContact CG1-CG1 4.28Å; I819-V853 HydrophobicContact CG1-CG2 4.04Å; I819-I856 HydrophobicContact CB-CD1 4.47Å; I819-I856 HydrophobicContact CD1-CD1 3.89Å; I819-I856 HydrophobicContact CD1-CG1 4.48Å; I819-I856 HydrophobicContact CG1-CD1 3.89Å; I819-I856 HydrophobicContact CG2-CD1 3.89Å; I819-M875 HydrophobicContact CD1-SD 3.89Å; I819-M875 HydrophobicContact CG2-CE 4.44Å; I819-M875 HydrophobicContact CG2-SD 4.3Å; I819-V877 HydrophobicContact CD1-CG1 3.98Å; I819-V877 HydrophobicContact CD1-CG2 3.68Å; I819-L887 HydrophobicContact CD1-CD1 4.25Å; I819-W901 HydrophobicContact CG2-CH2 4.24Å; I819-W901 HydrophobicContact CG2-CZ3 4.45Å
820Y96Very high84.9Confident15 Ų1548.3 Ų48.36%0.05923%0.23CC..EExtended strand (participates in β ladder)trans-106.1142.9174.8-69.1-2.5000110.4H794 F811 T812 S818 W822 R842 T845H794-Y820 HydrophobicContact CB-CE2 4.48Å; H794-Y820 AromaticContact CD2-CD2 3.72Å; H794-Y820 AromaticContact CE1-CD1 3.51Å; H794-Y820 AromaticContact CE1-CD2 3.47Å; H794-Y820 VanDerWaalsContact CE1-CD2 3.47Å; H794-Y820 WeakPolarHBondContact CE1-CD2 3.46Å; H794-Y820 AromaticContact CE1-CE1 3.83Å; H794-Y820 AromaticContact CE1-CE2 3.81Å; H794-Y820 AromaticContact CE1-CG 3.3Å; H794-Y820 AromaticContact CE1-CZ 3.97Å; H794-Y820 AromaticContact CG-CD2 3.9Å; H794-Y820 AromaticContact CG-CE2 3.83Å; H794-Y820 AromaticContact ND1-CD2 3.73Å; H794-Y820 AromaticContact ND1-CE1 3.94Å; H794-Y820 AromaticContact ND1-CE2 3.61Å; H794-Y820 AromaticContact ND1-CG 3.97Å; H794-Y820 AromaticContact ND1-CZ 3.7Å; H794-Y820 AromaticContact NE2-CD2 3.46Å; H794-Y820 WeakPolarHBondContact NE2-CD2 3.41Å; H794-Y820 AromaticContact NE2-CG 3.45Å; F811-Y820 VanDerWaalsContact CA-O 3.3Å; F811-Y820 WeakPolarHBondContact CA-O 3.44Å; T812-Y820 PolarHBondContact N-O 3.27Å; T812-Y820 PolarHBondContact O-N 2.73Å; S818-Y820 WeakPolarHBondContact OG-CE1 3.45Å; Y820-W822 AromaticContact CD2-CZ2 3.82Å; Y820-W822 HydrophobicContact CD2-CZ2 3.82Å; Y820-W822 HydrophobicContact CG-CZ2 4.49Å; Y820-R842 VanDerWaalsContact CD2-CD 3.49Å; Y820-R842 HydrophobicContact CD2-CG 4.26Å; Y820-R842 VanDerWaalsContact CE1-NH1 3.29Å; Y820-R842 VanDerWaalsContact CG-CD 3.43Å; Y820-R842 HydrophobicContact CG-CG 4.11Å; Y820-R842 PolarHBondContact OH-NH1 2.86Å; Y820-T845 HydrophobicContact CD1-CG2 3.7Å; Y820-T845 WeakPolarHBondContact CD1-OG1 3.22Å; Y820-T845 HydrophobicContact CE1-CG2 3.51Å
821C95.4Very high82.3Confident0 Ų054 Ų540%027%0.27CS..EExtended strand (participates in β ladder)trans-104.8140.4172.1-175.50000110.1F811 L843 D844 F899 W901F811-C821 HydrophobicContact CD1-CB 3.94Å; F811-C821 HydrophobicContact CE1-CB 3.85Å; F811-C821 VanDerWaalsContact CE1-SG 3.55Å; C821-L843 WeakPolarHBondContact O-CB 3.44Å; C821-L843 PolarHBondContact O-N 3.04Å; C821-D844 HydrophobicContact CB-CB 4.03Å; C821-D844 PolarHBondContact N-O 2.87Å; C821-D844 PolarHBondContact O-N 2.78Å; C821-F899 VanDerWaalsContact SG-CE2 3.54Å; C821-W901 HydrophobicContact CB-CZ2 4.44Å
822W94.2Very high79.7Confident0 Ų059.1 Ų59.10%030%0.301CS..EExtended strand (participates in β ladder)trans-131.8149.2-177.7-54.691.7000110.7W760 P788 Y809 F810 T812 Y820 R842W760-W822 AromaticContact CD1-CE2 3.88Å; W760-W822 AromaticContact CD1-CZ2 3.8Å; W760-W822 AromaticContact CE2-CD2 3.81Å; W760-W822 AromaticContact CE2-CE2 3.94Å; W760-W822 AromaticContact CE2-CE3 3.83Å; W760-W822 AromaticContact CE2-CZ3 3.99Å; W760-W822 AromaticContact CZ2-CD2 3.83Å; W760-W822 HydrophobicContact CZ2-CD2 3.83Å; W760-W822 AromaticContact CZ2-CE3 3.45Å; W760-W822 HydrophobicContact CZ2-CE3 3.45Å; W760-W822 VanDerWaalsContact CZ2-CE3 3.45Å; W760-W822 HydrophobicContact CZ2-CG 4.44Å; W760-W822 HydrophobicContact CZ2-CH2 4.3Å; W760-W822 AromaticContact CZ2-CZ3 3.7Å; W760-W822 HydrophobicContact CZ2-CZ3 3.7Å; W760-W822 AromaticContact NE1-CD2 3.46Å; W760-W822 AromaticContact NE1-CE2 3.11Å; W760-W822 AromaticContact NE1-CE3 3.7Å; W760-W822 AromaticContact NE1-CH2 3.33Å; W760-W822 VanDerWaalsContact NE1-CH2 3.33Å; W760-W822 AromaticContact NE1-CZ2 3.04Å; W760-W822 AromaticContact NE1-CZ3 3.64Å; W760-W822 AromaticContact NE1-NE1 3.71Å; P788-W822 HydrophobicContact CB-CH2 3.95Å; P788-W822 HydrophobicContact CB-CZ3 4.2Å; Y809-W822 WeakPolarHBondContact CA-O 3.33Å; F810-W822 HydrophobicContact CD1-CB 3.94Å; F810-W822 HydrophobicContact CD2-CB 3.84Å; F810-W822 AromaticContact CD2-CD1 3.61Å; F810-W822 AromaticContact CD2-CG 3.97Å; F810-W822 HydrophobicContact CD2-CG 3.97Å; F810-W822 HydrophobicContact CE1-CB 3.47Å; F810-W822 VanDerWaalsContact CE1-CB 3.47Å; F810-W822 HydrophobicContact CE1-CG 4.33Å; F810-W822 HydrophobicContact CE2-CB 3.38Å; F810-W822 AromaticContact CE2-CD1 3.27Å; F810-W822 HydrophobicContact CE2-CD2 4.23Å; F810-W822 AromaticContact CE2-CG 3.34Å; F810-W822 HydrophobicContact CE2-CG 3.34Å; F810-W822 HydrophobicContact CG-CB 4.11Å; F810-W822 HydrophobicContact CZ-CB 3.18Å; F810-W822 AromaticContact CZ-CD1 3.99Å; F810-W822 HydrophobicContact CZ-CD2 4.34Å; F810-W822 AromaticContact CZ-CG 3.56Å; F810-W822 HydrophobicContact CZ-CG 3.56Å; F810-W822 PolarHBondContact N-O 3.09Å; F810-W822 PolarHBondContact O-N 3.49Å; T812-W822 PolarHBondContact OG1-NE1 3.29Å; Y820-W822 AromaticContact CD2-CZ2 3.82Å; Y820-W822 HydrophobicContact CD2-CZ2 3.82Å; Y820-W822 HydrophobicContact CG-CZ2 4.49Å; W822-R842 HydrophobicContact CE3-CB 4.24Å; W822-R842 HydrophobicContact CH2-CB 3.98Å; W822-R842 HydrophobicContact CZ2-CB 4.45Å; W822-R842 HydrophobicContact CZ3-CB 3.87Å; W822-R842 VanDerWaalsContact CZ3-N 3.29Å
823N90.2Very high77.4Confident47 Ų4765 Ų6525%0.25133%0.333SS..EExtended strand (participates in β ladder)trans-79.2129.1171.3-164.6-8.5000108.8K808 T825 L840 L843K808-N823 PolarHBondContact O-OD1 2.83Å; N823-T825 VanDerWaalsContact CG-OG1 3.26Å; N823-T825 PolarHBondContact ND2-OG1 2.96Å; N823-T825 PolarHBondContact OD1-N 3.04Å; N823-T825 PolarHBondContact OD1-OG1 2.82Å; N823-L840 VanDerWaalsContact O-CD1 3.22Å; N823-L840 WeakPolarHBondContact O-CD1 3.49Å; N823-L843 HydrophobicContact CB-CD1 3.7Å; N823-L843 HydrophobicContact CB-CD2 4.23Å; N823-L843 HydrophobicContact CB-CG 4.04Å; N823-L843 VanDerWaalsContact N-CD1 3.27Å
824A85.9Confident75.4Confident0 Ų074.4 Ų74.40%037%0.37CS..  trans-90.7-13.5173.400000113.2W803 D807 K808 F810 V826W803-A824 HydrophobicContact CE3-CB 4.38Å; W803-A824 HydrophobicContact CH2-CB 4.01Å; W803-A824 HydrophobicContact CZ3-CB 3.42Å; W803-A824 VanDerWaalsContact CZ3-CB 3.42Å; D807-A824 WeakPolarHBondContact O-CB 3.43Å; K808-A824 VanDerWaalsContact O-CB 3.27Å; K808-A824 WeakPolarHBondContact O-CB 3.32Å; K808-A824 PolarHBondContact O-N 3.15Å; F810-A824 HydrophobicContact CD1-CB 4Å; A824-V826 PolarHBondContact O-N 2.98Å
825T78.1Confident73.5Confident74 Ų7477.2 Ų77.245%0.45439%0.387SS..  trans-72.4100.2-178.767.10000110.1N823N823-T825 VanDerWaalsContact CG-OG1 3.26Å; N823-T825 PolarHBondContact ND2-OG1 2.96Å; N823-T825 PolarHBondContact OD1-N 3.04Å; N823-T825 PolarHBondContact OD1-OG1 2.82Å
826V67.9Low72.2Confident28 Ų2878.7 Ų78.717%0.1740%0.403CS..  trans-78.5125.3171.1-1760000108.1L762 A786 A824 I828L762-V826 HydrophobicContact CD2-CG2 4.05Å; A786-V826 HydrophobicContact CB-CG2 4.39Å; A824-V826 PolarHBondContact O-N 2.98Å; V826-I828 PolarHBondContact O-N 2.85Å
827K61.2Low71.2Confident169 Ų16979.4 Ų79.474%0.73541%0.409SS*.  trans-73.893.8174.7-75.8-178179.8176.40108.9Q829K827-Q829 PolarHBondContact O-N 2.65Å
828I53.2Low70.7Confident128 Ų12881.6 Ų81.666%0.65642%0.416SS*.  trans-67.199.5169.2-54174.3000107.1V826 K830V826-I828 PolarHBondContact O-N 2.85Å; I828-K830 PolarHBondContact O-N 3.31Å
829Q51Low70.1Confident173 Ų17383.3 Ų83.381%0.80843%0.431SS*.  trans-65.9108.7170.5-73.2-172.1-2.500107.7K827 S831K827-Q829 PolarHBondContact O-N 2.65Å; Q829-S831 PolarHBondContact O-N 2.97Å; Q829-S831 VanDerWaalsContact O-N 3.14Å
830K39Very low69.6Low197 Ų19784.1 Ų84.186%0.85744%0.435SS*.THydrogen-bonded Turntrans-56.2117.6172.4-73.3-179.6174.6-179.40108.6I828I828-K830 PolarHBondContact O-N 3.31Å
831S41.2Very low69Low121 Ų12192.3 Ų92.385%0.84647%0.466SS*.THydrogen-bonded Turntrans132.612.1151.670.20000119.4Q829Q829-S831 PolarHBondContact O-N 2.97Å; Q829-S831 VanDerWaalsContact O-N 3.14Å
832T43.1Very low68.7Low106 Ų10696.2 Ų96.265%0.6548%0.481SS*.  trans-138.4134.6164.354.50000111.6Y834T832-Y834 PolarHBondContact O-N 2.91Å
833D50.1Low68.4Low124 Ų12499.2 Ų99.266%0.66350%0.496SS*.SBendtrans-59.17.3-174.9-70.4-35.8000116.1
834Y54.4Low68.4Low198 Ų19898 Ų9878%0.77649%0.49SS*.  trans-124.5105.8179.2-65.7-85000110.2T832 L836T832-Y834 PolarHBondContact O-N 2.91Å; Y834-L836 PolarHBondContact O-N 3.25Å
835V59.5Low68.7Low59 Ų5999.6 Ų99.636%0.35850%0.499SS..  trans-74.1106.9166.7-177.90000107.3I783I783-V835 HydrophobicContact CD1-CB 3.75Å; I783-V835 HydrophobicContact CD1-CG2 3.94Å
836L70.3Confident69.5Low150 Ų15096.5 Ų96.579%0.78548%0.479SS*.PPolyproline II helixtrans-72131.4170.2-77.5164000108.9Y834 E838Y834-L836 PolarHBondContact O-N 3.25Å; L836-E838 PolarHBondContact O-N 3.26Å
837P75.1Confident70.6Confident49 Ų49101.5 Ų101.532%0.31850%0.499SS..PPolyproline II helixtrans-63.5128.5-179.622.8-31.1000111.1L784 S785 Y787L784-P837 HydrophobicContact CB-CB 4.48Å; L784-P837 HydrophobicContact CD2-CB 4.04Å; L784-P837 HydrophobicContact CD2-CG 4.3Å; L784-P837 HydrophobicContact CG-CB 3.96Å; L784-P837 WeakPolarHBondContact O-CB 3.49Å; S785-P837 CarbonylContact O-C 3.54Å; S785-P837 WeakPolarHBondContact O-CA 3.47Å; Y787-P837 HydrophobicContact CD1-CB 3.9Å; Y787-P837 HydrophobicContact CE1-CB 3.76Å; Y787-P837 HydrophobicContact CE1-CG 4.1Å
838E84.9Confident71.8Confident74 Ų74100.8 Ų100.835%0.34650%0.498SS..EExtended strand (participates in β ladder)trans-86.4126.4-177.4-166.9175.6176.700111S785 A786 Y787 L836 L840S785-E838 PolarHBondContact O-N 2.85Å; A786-E838 WeakPolarHBondContact CA-O 3.21Å; A786-E838 WeakPolarHBondContact CB-O 3.36Å; Y787-E838 PolarHBondContact N-O 3.33Å; Y787-E838 VanDerWaalsContact N-O 3.08Å; L836-E838 PolarHBondContact O-N 3.26Å; E838-L840 HydrophobicContact CB-CD2 4.42Å; E838-L840 HydrophobicContact CG-CD2 3.89Å; E838-L840 PolarHBondContact O-N 2.87Å
839A84Confident73.5Confident38 Ų3895.5 Ų95.531%0.31447%0.471SS..EExtended strand (participates in β ladder)trans-80.9108.9172.700000109.6Y787 I789Y787-A839 HydrophobicContact CD2-CB 4.37Å; Y787-A839 HydrophobicContact CE1-CB 4.46Å; Y787-A839 HydrophobicContact CE2-CB 3.75Å; Y787-A839 CarbonylContact O-C 3.58Å; Y787-A839 VanDerWaalsContact O-CA 3.28Å; Y787-A839 WeakPolarHBondContact O-CA 3.21Å; I789-A839 HydrophobicContact CD1-CB 4.5Å; I789-A839 WeakPolarHBondContact CD1-O 3.41Å; I789-A839 HydrophobicContact CG1-CB 3.54Å
840L86.6Confident75.4Confident16 Ų1690.1 Ų90.18%0.08446%0.462CS..EExtended strand (participates in β ladder)trans-90.3146.3-174.8-63.2-179.1000112.9W760 A786 Y787 I789 N823 E838W760-L840 HydrophobicContact CH2-CB 3.96Å; W760-L840 HydrophobicContact CH2-CD1 3.88Å; W760-L840 HydrophobicContact CH2-CG 4.23Å; W760-L840 HydrophobicContact CZ2-CB 4.16Å; A786-L840 HydrophobicContact CB-CD1 3.66Å; A786-L840 HydrophobicContact CB-CG 3.94Å; Y787-L840 PolarHBondContact O-N 2.99Å; I789-L840 PolarHBondContact N-O 2.87Å; I789-L840 VanDerWaalsContact N-O 3.08Å; N823-L840 VanDerWaalsContact O-CD1 3.22Å; N823-L840 WeakPolarHBondContact O-CD1 3.49Å; E838-L840 HydrophobicContact CB-CD2 4.42Å; E838-L840 HydrophobicContact CG-CD2 3.89Å; E838-L840 PolarHBondContact O-N 2.87Å
841R83.7Confident78.1Confident187 Ų18786.4 Ų86.471%0.70645%0.446SS*.PPolyproline II helixtrans-88.9148.7164.5-68.5-173.9-178.8175.91109.5I789 L843I789-R841 HydrophobicContact CD1-CB 4.48Å; I789-R841 HydrophobicContact CD1-CG 3.39Å; R841-L843 PolarHBondContact O-N 3.07Å
842R88.4Confident80.7Confident83 Ų8380.9 Ų80.931%0.31341%0.407SS..PPolyproline II helixtrans-60.5132168.1178.4-176.776.5-178.20.9109.8Y820 W822 D844 T845Y820-R842 VanDerWaalsContact CD2-CD 3.49Å; Y820-R842 HydrophobicContact CD2-CG 4.26Å; Y820-R842 VanDerWaalsContact CE1-NH1 3.29Å; Y820-R842 VanDerWaalsContact CG-CD 3.43Å; Y820-R842 HydrophobicContact CG-CG 4.11Å; Y820-R842 PolarHBondContact OH-NH1 2.86Å; W822-R842 HydrophobicContact CE3-CB 4.24Å; W822-R842 HydrophobicContact CH2-CB 3.98Å; W822-R842 HydrophobicContact CZ2-CB 4.45Å; W822-R842 HydrophobicContact CZ3-CB 3.87Å; W822-R842 VanDerWaalsContact CZ3-N 3.29Å; R842-D844 WeakPolarHBondContact CD-O 3.16Å; R842-D844 WeakPolarHBondContact CG-O 3.16Å; R842-T845 WeakPolarHBondContact CD-OG1 3.38Å; R842-T845 PolarHBondContact NE-OG1 2.83Å; R842-T845 PolarHBondContact NH1-OG1 2.89Å
843L88.1Confident83.4Confident62 Ų6275.8 Ų75.833%0.32538%0.376SS..  trans-77.1-48.7175.3-73.8177.5000111.3Y809 C821 N823 R841Y809-L843 HydrophobicContact CD1-CD1 3.64Å; Y809-L843 HydrophobicContact CE1-CD1 3.76Å; C821-L843 WeakPolarHBondContact O-CB 3.44Å; C821-L843 PolarHBondContact O-N 3.04Å; N823-L843 HydrophobicContact CB-CD1 3.7Å; N823-L843 HydrophobicContact CB-CD2 4.23Å; N823-L843 HydrophobicContact CB-CG 4.04Å; N823-L843 VanDerWaalsContact N-CD1 3.27Å; R841-L843 PolarHBondContact O-N 3.07Å
844D90.5Very high85.6Confident23 Ų2370.7 Ų70.712%0.12335%0.349CS..EExtended strand (participates in β ladder)trans-153171.3-172.2-157.64.2000112.4C821 R842 F898 F899 W901C821-D844 HydrophobicContact CB-CB 4.03Å; C821-D844 PolarHBondContact N-O 2.87Å; C821-D844 PolarHBondContact O-N 2.78Å; R842-D844 WeakPolarHBondContact CD-O 3.16Å; R842-D844 WeakPolarHBondContact CG-O 3.16Å; D844-F898 HydrophobicContact CB-CB 4.41Å; D844-F899 WeakPolarHBondContact OD2-CB 3.44Å; D844-F899 PolarHBondContact OD2-N 2.84Å; D844-W901 PolarHBondContact OD2-NE1 3.35Å
845T92.7Very high87.7Confident32 Ų3261.3 Ų61.320%0.19631%0.313CS..EExtended strand (participates in β ladder)trans-151.4137.1-174.4-63.60000113.8I819 Y820 R842 K847I819-T845 WeakPolarHBondContact O-CA 3.47Å; Y820-T845 HydrophobicContact CD1-CG2 3.7Å; Y820-T845 WeakPolarHBondContact CD1-OG1 3.22Å; Y820-T845 HydrophobicContact CE1-CG2 3.51Å; R842-T845 WeakPolarHBondContact CD-OG1 3.38Å; R842-T845 PolarHBondContact NE-OG1 2.83Å; R842-T845 PolarHBondContact NH1-OG1 2.89Å; T845-K847 HydrophobicContact CG2-CD 4.14Å; T845-K847 HydrophobicContact CG2-CG 3.77Å
846Y93.7Very high89.6Confident10 Ų1058.7 Ų58.74%0.03930%0.297CS..EExtended strand (participates in β ladder)trans-117.7132.9168.8-169-111000111.2S818 I819 E848 L849 L887 W901 I903S818-Y846 VanDerWaalsContact CA-O 3.28Å; S818-Y846 WeakPolarHBondContact CA-O 3.35Å; S818-Y846 WeakPolarHBondContact CB-O 3.3Å; I819-Y846 PolarHBondContact N-O 3.44Å; I819-Y846 PolarHBondContact O-N 3.14Å; Y846-E848 HydrophobicContact CE1-CB 4.4Å; Y846-E848 HydrophobicContact CE2-CB 4.14Å; Y846-E848 HydrophobicContact CE2-CG 4.2Å; Y846-E848 PolarHBondContact OH-OE2 2.86Å; Y846-L849 HydrophobicContact CD1-CD1 4.06Å; Y846-L849 HydrophobicContact CD1-CD2 4.43Å; Y846-L849 HydrophobicContact CD1-CG 3.99Å; Y846-L849 HydrophobicContact CE1-CD1 4.26Å; Y846-L849 HydrophobicContact CE1-CD2 3.82Å; Y846-L849 HydrophobicContact CE1-CG 3.72Å; Y846-L887 HydrophobicContact CD1-CD1 3.82Å; Y846-L887 HydrophobicContact CE1-CD1 3.71Å; Y846-L887 HydrophobicContact CE1-CD2 4.09Å; Y846-W901 HydrophobicContact CD2-CB 3.57Å; Y846-W901 AromaticContact CD2-CD2 3.94Å; Y846-W901 HydrophobicContact CD2-CD2 3.94Å; Y846-W901 HydrophobicContact CD2-CE3 4.15Å; Y846-W901 AromaticContact CD2-CG 3.69Å; Y846-W901 HydrophobicContact CD2-CG 3.69Å; Y846-W901 HydrophobicContact CE2-CB 3.79Å; Y846-W901 HydrophobicContact CE2-CG 4.41Å; Y846-W901 HydrophobicContact CG-CB 4.47Å; Y846-W901 HydrophobicContact CG-CD2 4.04Å; Y846-W901 AromaticContact CG-CE3 3.89Å; Y846-W901 HydrophobicContact CG-CE3 3.89Å; Y846-W901 HydrophobicContact CG-CG 4.29Å; Y846-W901 HydrophobicContact CG-CZ3 4.48Å; Y846-I903 WeakPolarHBondContact OH-CG1 3.37Å
847K90.9Very high90.8Very high133 Ų13353.1 Ų53.158%0.57827%0.268SS*.  trans-133.22.1-173.2-78.6-176.3-177.9-171.10115.7T845 L849T845-K847 HydrophobicContact CG2-CD 4.14Å; T845-K847 HydrophobicContact CG2-CG 3.77Å; K847-L849 PolarHBondContact O-N 3.49Å
848E86.9Confident91.8Very high154 Ų15451.1 Ų51.172%0.7225%0.254SS*.THydrogen-bonded Turntrans-84.612.1-169.5-58.8-179.6157.900114.3Y846Y846-E848 HydrophobicContact CE1-CB 4.4Å; Y846-E848 HydrophobicContact CE2-CB 4.14Å; Y846-E848 HydrophobicContact CE2-CG 4.2Å; Y846-E848 PolarHBondContact OH-OE2 2.86Å
849L89.4Confident92.1Very high17 Ų1747.7 Ų47.79%0.08924%0.239CC..THydrogen-bonded Turntrans-83.3-24.3-173.5-63.5164.9000113.9I819 Y846 K847 K851 V853 V877 L879 I885I819-L849 HydrophobicContact CD1-CD1 3.73Å; I819-L849 HydrophobicContact CG1-CD1 3.89Å; Y846-L849 HydrophobicContact CD1-CD1 4.06Å; Y846-L849 HydrophobicContact CD1-CD2 4.43Å; Y846-L849 HydrophobicContact CD1-CG 3.99Å; Y846-L849 HydrophobicContact CE1-CD1 4.26Å; Y846-L849 HydrophobicContact CE1-CD2 3.82Å; Y846-L849 HydrophobicContact CE1-CG 3.72Å; K847-L849 PolarHBondContact O-N 3.49Å; L849-K851 PolarHBondContact O-N 2.91Å; L849-V853 HydrophobicContact CD1-CG2 3.45Å; L849-V853 VanDerWaalsContact CD1-CG2 3.45Å; L849-V877 HydrophobicContact CD1-CG1 4.11Å; L849-V877 HydrophobicContact CD2-CG1 4.45Å; L849-L879 HydrophobicContact CB-CD2 4.21Å; L849-L879 HydrophobicContact CD1-CD2 4.35Å; L849-I885 HydrophobicContact CD2-CD1 3.63Å
850G91Very high92.1Very high60 Ų6048.8 Ų48.862%0.61924%0.238SC*.  trans70.9-16.7177.400000116.8
851K95.4Very high91.8Very high119 Ų11948.6 Ų48.652%0.51724%0.238SC..SBendtrans-130.4160.2178.4-61.1-67-177.4178.20111.8S817 L849 V853 L879S817-K851 VanDerWaalsContact CA-O 3.29Å; S817-K851 WeakPolarHBondContact CA-O 3.27Å; S817-K851 VanDerWaalsContact CB-O 3.22Å; S817-K851 WeakPolarHBondContact CB-O 3.5Å; S817-K851 PolarHBondContact OG-O 3.49Å; L849-K851 PolarHBondContact O-N 2.91Å; K851-V853 PolarHBondContact O-N 2.83Å; K851-L879 HydrophobicContact CB-CB 4.39Å; K851-L879 HydrophobicContact CB-CD1 4.31Å
852S97Very high91.3Very high4 Ų442.7 Ų42.73%0.02822%0.217CC..  trans-54.5132.4178.11680000111.1R815 S817 L879 E880R815-S852 WeakPolarHBondContact CA-OG 3.47Å; S817-S852 PolarHBondContact OG-N 2.9Å; S852-L879 WeakPolarHBondContact O-CA 3.46Å; S852-E880 WeakPolarHBondContact CB-OE2 3.34Å; S852-E880 PolarHBondContact O-N 3.26Å
853V98.1Very high90.2Very high0 Ų042.4 Ų42.40%022%0.222CC..EExtended strand (participates in β ladder)trans-88.3119.7175.6-173.50000108.8T800 S814 I819 L849 K851 I856 V877 L879T800-V853 HydrophobicContact CG2-CG1 4.34Å; S814-V853 PolarHBondContact O-N 3.43Å; I819-V853 HydrophobicContact CD1-CG1 4.47Å; I819-V853 HydrophobicContact CG1-CG1 4.28Å; I819-V853 HydrophobicContact CG1-CG2 4.04Å; L849-V853 HydrophobicContact CD1-CG2 3.45Å; L849-V853 VanDerWaalsContact CD1-CG2 3.45Å; K851-V853 PolarHBondContact O-N 2.83Å; V853-I856 HydrophobicContact CG1-CD1 3.74Å; V853-I856 HydrophobicContact CG1-CG1 3.64Å; V853-V877 HydrophobicContact CG1-CG1 3.71Å; V853-V877 HydrophobicContact CG2-CG1 4.49Å; V853-L879 HydrophobicContact CG2-CD2 4.01Å
854T98Very high88.7Confident17 Ų1744.2 Ų44.210%0.10424%0.239CC..EExtended strand (participates in β ladder)trans-113.2-25.1-171.451.90000113.4T800 G878 E880 L919T800-T854 WeakPolarHBondContact CB-O 3.48Å; T854-G878 PolarHBondContact N-O 3.4Å; T854-G878 PolarHBondContact OG1-O 2.91Å; T854-E880 HydrophobicContact CG2-CB 3.97Å; T854-L919 WeakPolarHBondContact CB-O 3.34Å; T854-L919 PolarHBondContact OG1-O 3.07Å
855A98.2Very high86.9Confident1 Ų150.2 Ų50.21%0.00827%0.267CS..EExtended strand (participates in β ladder)trans-145140.6174.800000110.8G878 L919 I922A855-G878 PolarHBondContact N-O 3.16Å; A855-G878 PolarHBondContact O-N 2.71Å; A855-L919 HydrophobicContact CB-CD2 3.69Å; A855-I922 HydrophobicContact CB-CB 4.14Å; A855-I922 HydrophobicContact CB-CG2 3.68Å
856I98Very high84.7Confident4 Ų454.3 Ų54.32%0.02130%0.297CS..EExtended strand (participates in β ladder)trans-138.2142.7173.8-62.3171.1000108.4T800 A802 I819 V853 V858 M875 A876 I922T800-I856 HydrophobicContact CG2-CB 4.08Å; T800-I856 HydrophobicContact CG2-CD1 3.92Å; T800-I856 HydrophobicContact CG2-CG1 3.7Å; T800-I856 PolarHBondContact OG1-N 2.6Å; T800-I856 VanDerWaalsContact OG1-N 3.13Å; A802-I856 HydrophobicContact CB-CG2 4.07Å; I819-I856 HydrophobicContact CB-CD1 4.47Å; I819-I856 HydrophobicContact CD1-CD1 3.89Å; I819-I856 HydrophobicContact CD1-CG1 4.48Å; I819-I856 HydrophobicContact CG1-CD1 3.89Å; I819-I856 HydrophobicContact CG2-CD1 3.89Å; V853-I856 HydrophobicContact CG1-CD1 3.74Å; V853-I856 HydrophobicContact CG1-CG1 3.64Å; I856-V858 HydrophobicContact CG2-CG2 4.25Å; I856-M875 HydrophobicContact CG2-CE 4.16Å; I856-M875 HydrophobicContact CG2-CG 3.7Å; I856-M875 HydrophobicContact CG2-SD 3.85Å; I856-A876 WeakPolarHBondContact CA-O 3.27Å; I856-I922 VanDerWaalsContact C-CG2 3.5Å
857D97.3Very high82.5Confident32 Ų3261.8 Ų61.817%0.17134%0.337CS..EExtended strand (participates in β ladder)trans-142.8156.4160.7-162.915.8000110.6M875 A876 I922 S923 F924D857-M875 WeakPolarHBondContact O-CA 3.31Å; D857-A876 PolarHBondContact N-O 3.26Å; D857-A876 VanDerWaalsContact N-O 3.09Å; D857-A876 PolarHBondContact O-N 2.81Å; D857-I922 HydrophobicContact CB-CG2 4.2Å; D857-S923 WeakPolarHBondContact OD2-CA 3.12Å; D857-S923 PolarHBondContact OD2-OG 2.8Å; D857-F924 HydrophobicContact CB-CD2 4.03Å; D857-F924 PolarHBondContact OD2-N 3.19Å
858V95.2Very high80.8Confident7 Ų758.7 Ų58.74%0.04233%0.331CS..EExtended strand (participates in β ladder)trans-133.1135.2-172.8-172.60000110.4A802 F811 I856 L874 M875A802-V858 HydrophobicContact CB-CG2 4.06Å; F811-V858 HydrophobicContact CD2-CG2 3.7Å; F811-V858 HydrophobicContact CE2-CG1 4.32Å; F811-V858 HydrophobicContact CE2-CG2 3.99Å; I856-V858 HydrophobicContact CG2-CG2 4.25Å; V858-L874 WeakPolarHBondContact CA-O 3.5Å; V858-M875 HydrophobicContact CG2-CB 4.16Å; V858-M875 HydrophobicContact CG2-CE 3.7Å; V858-M875 HydrophobicContact CG2-CG 4.01Å
859C91.2Very high79.7Confident3 Ų359.6 Ų59.62%0.0234%0.341CS..EExtended strand (participates in β ladder)trans-129.6166171.169.30000111.7P805 L874 F924P805-C859 VanDerWaalsContact CG-C 3.47Å; C859-L874 PolarHBondContact N-O 2.92Å; C859-L874 PolarHBondContact O-N 2.94Å; C859-F924 HydrophobicContact CB-CB 4.26Å; C859-F924 HydrophobicContact CB-CD1 4.35Å; C859-F924 HydrophobicContact CB-CD2 3.88Å; C859-F924 HydrophobicContact CB-CE2 4.27Å; C859-F924 HydrophobicContact CB-CG 3.91Å
860E84.8Confident78.8Confident61 Ų6162.2 Ų62.229%0.28536%0.355SS..EExtended strand (participates in β ladder)trans-68.2134176.2-164.8177.7-158.100109.3P805 Y931P805-E860 HydrophobicContact CB-CB 4.34Å; P805-E860 HydrophobicContact CG-CB 4.14Å; P805-E860 VanDerWaalsContact CG-N 3.27Å; E860-Y931 PolarHBondContact OE1-OH 3.18Å; E860-Y931 VanDerWaalsContact OE1-OH 3.09Å
861S80.5Confident78.3Confident12 Ų1263.3 Ų63.38%0.08434%0.341CS..PPolyproline II helixtrans-94.3156175840000111.5N863 S872 K888S861-N863 PolarHBondContact O-N 3.08Å; S861-S872 PolarHBondContact N-O 2.62Å; S861-S872 VanDerWaalsContact OG-C 3.31Å; S861-S872 WeakPolarHBondContact OG-CB 3.31Å; S861-S872 PolarHBondContact OG-O 2.84Å; S861-S872 VanDerWaalsContact OG-O 3.13Å; S861-S872 PolarHBondContact OG-OG 3.32Å; S861-K888 WeakPolarHBondContact OG-CE 3.48Å
862F72.1Confident78Confident63 Ų6357.8 Ų57.828%0.27632%0.317SS..PPolyproline II helixtrans-73124.5176.2-169.2-95.4000110.5I955 K956F862-I955 HydrophobicContact CB-CG2 3.85Å; F862-I955 VanDerWaalsContact N-CG2 3.29Å; F862-K956 HydrophobicContact CD1-CB 4.25Å; F862-K956 HydrophobicContact CD1-CG 3.98Å; F862-K956 HydrophobicContact CD2-CB 4.38Å; F862-K956 HydrophobicContact CE1-CD 4.33Å; F862-K956 HydrophobicContact CE1-CG 3.84Å; F862-K956 HydrophobicContact CE2-CD 4.44Å; F862-K956 HydrophobicContact CE2-CG 4.44Å; F862-K956 HydrophobicContact CG-CB 4.18Å; F862-K956 HydrophobicContact CG-CG 4.35Å; F862-K956 HydrophobicContact CZ-CD 4.12Å; F862-K956 HydrophobicContact CZ-CG 4.09Å
863N66.3Low77.7Confident76 Ų7657.8 Ų57.841%0.40632%0.316SS..  trans-108.9110170.6-87.9-16.2000109.9S861 E865 L870 S872S861-N863 PolarHBondContact O-N 3.08Å; N863-E865 VanDerWaalsContact C-N 3.3Å; N863-L870 PolarHBondContact ND2-O 2.66Å; N863-S872 PolarHBondContact ND2-OG 2.88Å; N863-S872 PolarHBondContact OD1-OG 2.93Å
864S55.6Low77.5Confident100 Ų10057.9 Ų57.970%0.69932%0.317SS*.SBendtrans-72.4-24.1175.6178.40000112.7
865E51.9Low77.4Confident150 Ų15057.1 Ų57.170%0.70131%0.312SS*.  trans-111.694.5-171.2-68.8-175.2174.400110.5N863 L867N863-E865 VanDerWaalsContact C-N 3.3Å; E865-L867 PolarHBondContact O-N 3.48Å
866S48.1Very low77.4Confident118 Ų11857 Ų5783%0.82531%0.312SS*.THydrogen-bonded Turntrans-68.118.4175.358.90000114.3
867L46.8Very low77.4Confident167 Ų16756.9 Ų56.987%0.87431%0.311SS*.THydrogen-bonded Turntrans-90.6-12-176-96.3104.3000114.3E865E865-L867 PolarHBondContact O-N 3.48Å
868S55.4Low77.4Confident67 Ų6755.3 Ų55.347%0.46930%0.302SS..  trans-128.5135.7173.173.50000110.6L870S868-L870 PolarHBondContact O-N 2.82Å
869N63.7Low77.5Confident174 Ų17455.1 Ų55.193%0.9330%0.301SS*.  trans-66.88.5174.3-78.7-17.9000113.3
870L69.8Low77.8Confident72 Ų7259.1 Ų59.138%0.37732%0.32SS..  trans-83.3126.2-175.3-66.4165000109.2N863 S868 E891N863-L870 PolarHBondContact ND2-O 2.66Å; S868-L870 PolarHBondContact O-N 2.82Å; L870-E891 HydrophobicContact CB-CB 4.44Å; L870-E891 HydrophobicContact CD2-CB 4.08Å; L870-E891 HydrophobicContact CD2-CG 4.01Å; L870-E891 WeakPolarHBondContact CD2-O 3.3Å
871R81.6Confident78.3Confident83 Ų8357.4 Ų57.431%0.31331%0.314SS..  trans-85.2156179.8-78.9-173.7167.7167.1-8.6110.9D806 Y873 E891D806-R871 VanDerWaalsContact CG-NH1 3.31Å; D806-R871 IonicContact OD2-CZ 3.61Å; D806-R871 IonicContact OD2-NH1 2.7Å; D806-R871 PolarHBondContact OD2-NH1 3.15Å; R871-Y873 HydrophobicContact CB-CE1 4.36Å; R871-Y873 HydrophobicContact CB-CE2 4.38Å; R871-E891 WeakPolarHBondContact O-CB 3.41Å; R871-E891 PolarHBondContact O-N 3.41Å; R871-E891 VanDerWaalsContact O-N 3.08Å
872S87.8Confident79Confident3 Ų356.8 Ų56.82%0.02131%0.31CS..EExtended strand (participates in β ladder)trans-131.8143174.355.30000110.1S861 N863 L889S861-S872 PolarHBondContact N-O 2.62Å; S861-S872 VanDerWaalsContact OG-C 3.31Å; S861-S872 WeakPolarHBondContact OG-CB 3.31Å; S861-S872 PolarHBondContact OG-O 2.84Å; S861-S872 VanDerWaalsContact OG-O 3.13Å; S861-S872 PolarHBondContact OG-OG 3.32Å; N863-S872 PolarHBondContact ND2-OG 2.88Å; N863-S872 PolarHBondContact OD1-OG 2.93Å; S872-L889 CarbonylContact C-O 3.47Å; S872-L889 WeakPolarHBondContact CA-O 3.05Å; S872-L889 WeakPolarHBondContact CB-O 3.43Å
873Y91.7Very high80.2Confident3 Ų357.3 Ų57.31%0.01232%0.315CS..EExtended strand (participates in β ladder)trans-122.7143.8-174.3-50.8-74.3000109.6P805 D806 Y809 R871 K888 L889 F899P805-Y873 HydrophobicContact CG-CD1 4.34Å; D806-Y873 PolarHBondContact OD2-OH 2.94Å; Y809-Y873 HydrophobicContact CD2-CE2 4.41Å; R871-Y873 HydrophobicContact CB-CE1 4.36Å; R871-Y873 HydrophobicContact CB-CE2 4.38Å; Y873-K888 WeakPolarHBondContact O-CA 3.26Å; Y873-L889 HydrophobicContact CD2-CB 4.38Å; Y873-L889 PolarHBondContact N-O 3.19Å; Y873-L889 PolarHBondContact O-N 3.48Å; Y873-F899 AromaticContact CD2-CE1 3.93Å; Y873-F899 HydrophobicContact CD2-CE1 3.93Å; Y873-F899 HydrophobicContact CD2-CZ 4.38Å; Y873-F899 AromaticContact CE2-CE1 3.64Å; Y873-F899 HydrophobicContact CE2-CE1 3.64Å; Y873-F899 AromaticContact CE2-CZ 3.91Å; Y873-F899 HydrophobicContact CE2-CZ 3.91Å
874L93.3Very high81.6Confident3 Ų353.7 Ų53.72%0.01630%0.296CS..EExtended strand (participates in β ladder)trans-105.4119171.6-170.471.5000108.3V858 C859 L886 V904 F924 I955V858-L874 WeakPolarHBondContact CA-O 3.5Å; C859-L874 PolarHBondContact N-O 2.92Å; C859-L874 PolarHBondContact O-N 2.94Å; L874-L886 HydrophobicContact CD1-CD1 4Å; L874-L886 HydrophobicContact CD1-CD2 3.87Å; L874-L886 HydrophobicContact CD1-CG 3.69Å; L874-L886 HydrophobicContact CD2-CD1 4.12Å; L874-L886 HydrophobicContact CD2-CD2 4.28Å; L874-L886 HydrophobicContact CD2-CG 4.49Å; L874-L886 HydrophobicContact CG-CD1 3.82Å; L874-L886 HydrophobicContact CG-CD2 4.37Å; L874-L886 HydrophobicContact CG-CG 4.11Å; L874-V904 HydrophobicContact CD1-CG2 4.39Å; L874-F924 HydrophobicContact CD2-CE1 4.45Å; L874-F924 HydrophobicContact CD2-CZ 4.33Å; L874-F924 HydrophobicContact CG-CZ 4.48Å; L874-I955 HydrophobicContact CD2-CD1 4.18Å; L874-I955 HydrophobicContact CD2-CG1 4.24Å
875M96.3Very high83.6Confident0 Ų049.6 Ų49.60%027%0.266CS..EExtended strand (participates in β ladder)trans-114.4125.8-177.5176.6-176.8-69.900109.8F811 I819 I856 D857 V858 V877 L887 L889 W901F811-M875 HydrophobicContact CB-CE 3.84Å; F811-M875 HydrophobicContact CD1-CE 3.45Å; F811-M875 VanDerWaalsContact CD1-CE 3.45Å; F811-M875 HydrophobicContact CD2-CE 3.63Å; F811-M875 HydrophobicContact CE1-CE 3.81Å; F811-M875 HydrophobicContact CE2-CE 3.99Å; F811-M875 HydrophobicContact CG-CE 3.33Å; F811-M875 HydrophobicContact CZ-CE 4.07Å; I819-M875 HydrophobicContact CD1-SD 3.89Å; I819-M875 HydrophobicContact CG2-CE 4.44Å; I819-M875 HydrophobicContact CG2-SD 4.3Å; I856-M875 HydrophobicContact CG2-CE 4.16Å; I856-M875 HydrophobicContact CG2-CG 3.7Å; I856-M875 HydrophobicContact CG2-SD 3.85Å; D857-M875 WeakPolarHBondContact O-CA 3.31Å; V858-M875 HydrophobicContact CG2-CB 4.16Å; V858-M875 HydrophobicContact CG2-CE 3.7Å; V858-M875 HydrophobicContact CG2-CG 4.01Å; M875-V877 HydrophobicContact CG-CG2 3.79Å; M875-V877 HydrophobicContact SD-CG2 3.88Å; M875-L887 HydrophobicContact CB-CB 4.33Å; M875-L887 PolarHBondContact N-O 2.85Å; M875-L887 PolarHBondContact O-N 3.06Å; M875-L887 HydrophobicContact SD-CD1 4.41Å; M875-L889 HydrophobicContact CB-CD1 3.63Å; M875-L889 HydrophobicContact CE-CD1 4.16Å; M875-L889 HydrophobicContact CE-CD2 4.17Å; M875-L889 HydrophobicContact SD-CD1 4.42Å; M875-W901 HydrophobicContact CE-CH2 4.43Å; M875-W901 HydrophobicContact CE-CZ3 4.16Å; M875-W901 HydrophobicContact SD-CZ3 4.13Å
876A97.4Very high85.6Confident0 Ų042.4 Ų42.40%023%0.233CC..EExtended strand (participates in β ladder)trans-96.1131.5169.800000109.2I856 D857 L886 I922 F924 L939I856-A876 WeakPolarHBondContact CA-O 3.27Å; D857-A876 PolarHBondContact N-O 3.26Å; D857-A876 VanDerWaalsContact N-O 3.09Å; D857-A876 PolarHBondContact O-N 2.81Å; A876-L886 HydrophobicContact CB-CD1 4.17Å; A876-I922 HydrophobicContact CB-CD1 3.5Å; A876-I922 HydrophobicContact CB-CG1 3.86Å; A876-F924 HydrophobicContact CB-CE2 3.68Å; A876-F924 HydrophobicContact CB-CZ 3.66Å; A876-L939 HydrophobicContact CB-CD1 3.82Å; A876-L939 HydrophobicContact CB-CD2 4.03Å
877V98Very high87.9Confident0 Ų036.8 Ų36.80%019%0.194CC..EExtended strand (participates in β ladder)trans-124.7123.7-174.5-175.60000109I819 L849 V853 M875 L879 I884 I885 L887I819-V877 HydrophobicContact CD1-CG1 3.98Å; I819-V877 HydrophobicContact CD1-CG2 3.68Å; L849-V877 HydrophobicContact CD1-CG1 4.11Å; L849-V877 HydrophobicContact CD2-CG1 4.45Å; V853-V877 HydrophobicContact CG1-CG1 3.71Å; V853-V877 HydrophobicContact CG2-CG1 4.49Å; M875-V877 HydrophobicContact CG-CG2 3.79Å; M875-V877 HydrophobicContact SD-CG2 3.88Å; V877-L879 HydrophobicContact CG1-CD2 4.04Å; V877-I884 WeakPolarHBondContact O-CA 3.28Å; V877-I885 HydrophobicContact CB-CB 4.42Å; V877-I885 PolarHBondContact N-O 3.28Å; V877-I885 PolarHBondContact O-N 3.18Å; V877-L887 HydrophobicContact CG2-CD1 3.79Å; V877-L887 HydrophobicContact CG2-CG 4.17Å
878G97.9Very high90Very high0 Ų029.8 Ų29.80%016%0.156CC..EExtended strand (participates in β ladder)trans-102.7136.3171.100000111.9T854 A855T854-G878 PolarHBondContact N-O 3.4Å; T854-G878 PolarHBondContact OG1-O 2.91Å; A855-G878 PolarHBondContact N-O 3.16Å; A855-G878 PolarHBondContact O-N 2.71Å
879L97.8Very high91.8Very high2 Ų226.6 Ų26.61%0.0113%0.133CC..EExtended strand (participates in β ladder)trans-109159.5-178.6-57.8-178.2000112.4L849 K851 S852 V853 V877 S881 G882 N883 I885 L919L849-L879 HydrophobicContact CB-CD2 4.21Å; L849-L879 HydrophobicContact CD1-CD2 4.35Å; K851-L879 HydrophobicContact CB-CB 4.39Å; K851-L879 HydrophobicContact CB-CD1 4.31Å; S852-L879 WeakPolarHBondContact O-CA 3.46Å; V853-L879 HydrophobicContact CG2-CD2 4.01Å; V877-L879 HydrophobicContact CG1-CD2 4.04Å; L879-S881 PolarHBondContact O-N 2.97Å; L879-S881 VanDerWaalsContact O-N 3.15Å; L879-G882 PolarHBondContact O-N 3.4Å; L879-N883 HydrophobicContact CB-CB 4.48Å; L879-N883 HydrophobicContact CD1-CB 4.19Å; L879-N883 PolarHBondContact N-O 3.39Å; L879-I885 HydrophobicContact CD1-CD1 3.67Å; L879-I885 HydrophobicContact CG-CD1 4.45Å; L879-L919 PolarHBondContact O-N 3.28Å
880E96.8Very high93Very high88 Ų8822.6 Ų22.641%0.41111%0.106SC..THydrogen-bonded Turntrans-59.5-22.4171.5-177.2178.4-157.800112.6S852 T854 G882 K917 R918S852-E880 WeakPolarHBondContact CB-OE2 3.34Å; S852-E880 PolarHBondContact O-N 3.26Å; T854-E880 HydrophobicContact CG2-CB 3.97Å; E880-G882 VanDerWaalsContact C-N 3.27Å; E880-G882 PolarHBondContact O-N 3.25Å; E880-K917 CarbonylContact O-C 3.43Å; E880-R918 HydrophobicContact CG-CB 4.41Å; E880-R918 WeakPolarHBondContact O-CA 3.34Å
881S95.5Very high93.8Very high24 Ų2420.8 Ų20.817%0.16810%0.096CC..THydrogen-bonded Turntrans-77.2-8.1176.1670000114.4L879 N883 P915 G916L879-S881 PolarHBondContact O-N 2.97Å; L879-S881 VanDerWaalsContact O-N 3.15Å; S881-N883 VanDerWaalsContact OG-CG 3.28Å; S881-N883 PolarHBondContact OG-OD1 3.49Å; S881-P915 WeakPolarHBondContact O-CA 3.21Å; S881-G916 PolarHBondContact O-N 2.88Å
882G95.4Very high93.6Very high0 Ų018.5 Ų18.50%09%0.091CC..SBendtrans91.9-4.4-173.200000114.2L879 E880 C912 H913 K917L879-G882 PolarHBondContact O-N 3.4Å; E880-G882 VanDerWaalsContact C-N 3.27Å; E880-G882 PolarHBondContact O-N 3.25Å; G882-C912 WeakPolarHBondContact O-CB 3.22Å; G882-H913 PolarHBondContact O-N 3.4Å; G882-K917 WeakPolarHBondContact CA-O 3.27Å; G882-K917 PolarHBondContact N-O 2.77Å; G882-K917 VanDerWaalsContact N-O 3.13Å
883N96.4Very high92.9Very high73 Ų7321.9 Ų21.939%0.3913%0.127SC..  trans-74.5144.4-178.5-66.814.1000111.5L879 S881L879-N883 HydrophobicContact CB-CB 4.48Å; L879-N883 HydrophobicContact CD1-CB 4.19Å; L879-N883 PolarHBondContact N-O 3.39Å; S881-N883 VanDerWaalsContact OG-CG 3.28Å; S881-N883 PolarHBondContact OG-OD1 3.49Å
884I96.7Very high92Very high1 Ų124.4 Ų24.41%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-111.6129.1172.1-55.9164.6000108.4V877 F907 L919 I922 T941 F951V877-I884 WeakPolarHBondContact O-CA 3.28Å; I884-F907 HydrophobicContact CB-CB 4.07Å; I884-F907 HydrophobicContact CB-CD1 4.49Å; I884-F907 HydrophobicContact CB-CD2 4Å; I884-F907 HydrophobicContact CB-CG 3.94Å; I884-F907 HydrophobicContact CG2-CD1 4.48Å; I884-F907 HydrophobicContact CG2-CD2 3.72Å; I884-F907 HydrophobicContact CG2-CE2 3.86Å; I884-F907 HydrophobicContact CG2-CG 4.06Å; I884-F907 HydrophobicContact CG2-CZ 4.32Å; I884-F907 WeakPolarHBondContact O-CB 3.38Å; I884-F907 WeakPolarHBondContact O-CD2 3.45Å; I884-F907 PolarHBondContact O-N 3.29Å; I884-L919 HydrophobicContact CD1-CD1 4.11Å; I884-L919 HydrophobicContact CG1-CD1 3.43Å; I884-L919 VanDerWaalsContact CG1-CD1 3.43Å; I884-I922 HydrophobicContact CG2-CD1 3.95Å; I884-T941 HydrophobicContact CD1-CG2 3.81Å; I884-F951 HydrophobicContact CD1-CE2 4.02Å; I884-F951 HydrophobicContact CD1-CZ 4.26Å
885I96.2Very high90.8Very high13 Ų1330.3 Ų30.37%0.06719%0.186CC..EExtended strand (participates in β ladder)trans-126.8136.2-179.9-58.5177.3000108.6L849 V877 L879 L887 I903 N906L849-I885 HydrophobicContact CD2-CD1 3.63Å; V877-I885 HydrophobicContact CB-CB 4.42Å; V877-I885 PolarHBondContact N-O 3.28Å; V877-I885 PolarHBondContact O-N 3.18Å; L879-I885 HydrophobicContact CD1-CD1 3.67Å; L879-I885 HydrophobicContact CG-CD1 4.45Å; I885-L887 HydrophobicContact CG2-CD2 3.83Å; I885-L887 HydrophobicContact CG2-CG 4.23Å; I885-I903 HydrophobicContact CG2-CG2 4.29Å; I885-N906 WeakPolarHBondContact CG1-OD1 3.44Å
886L95.4Very high89.4Confident0 Ų039.3 Ų39.30%023%0.228CC..EExtended strand (participates in β ladder)trans-107.2118.1174.4-161.267.8000109.2I15 L874 A876 V904 L905 F907 F924 L958I15-L886 HydrophobicContact CD1-CD2 4.05Å; L874-L886 HydrophobicContact CD1-CD1 4Å; L874-L886 HydrophobicContact CD1-CD2 3.87Å; L874-L886 HydrophobicContact CD1-CG 3.69Å; L874-L886 HydrophobicContact CD2-CD1 4.12Å; L874-L886 HydrophobicContact CD2-CD2 4.28Å; L874-L886 HydrophobicContact CD2-CG 4.49Å; L874-L886 HydrophobicContact CG-CD1 3.82Å; L874-L886 HydrophobicContact CG-CD2 4.37Å; L874-L886 HydrophobicContact CG-CG 4.11Å; A876-L886 HydrophobicContact CB-CD1 4.17Å; L886-V904 HydrophobicContact CB-CB 4.42Å; L886-V904 HydrophobicContact CD2-CB 4.39Å; L886-V904 HydrophobicContact CD2-CG1 4.3Å; L886-V904 HydrophobicContact CG-CB 4.45Å; L886-V904 PolarHBondContact O-N 3.21Å; L886-L905 HydrophobicContact CB-CB 4.2Å; L886-L905 PolarHBondContact N-O 2.8Å; L886-L905 PolarHBondContact O-N 3.05Å; L886-F907 HydrophobicContact CB-CE2 4.26Å; L886-F924 HydrophobicContact CD1-CZ 4.21Å; L886-L958 HydrophobicContact CD2-CD1 4.4Å; L886-L958 HydrophobicContact CD2-CD2 4.35Å
887L95.1Very high88.2Confident0 Ų041.7 Ų41.70%025%0.245CC..EExtended strand (participates in β ladder)trans-107.7144.9177.3-58.3179000109.9I819 Y846 M875 V877 I885 L889 W901 S902 I903I819-L887 HydrophobicContact CD1-CD1 4.25Å; Y846-L887 HydrophobicContact CD1-CD1 3.82Å; Y846-L887 HydrophobicContact CE1-CD1 3.71Å; Y846-L887 HydrophobicContact CE1-CD2 4.09Å; M875-L887 HydrophobicContact CB-CB 4.33Å; M875-L887 PolarHBondContact N-O 2.85Å; M875-L887 PolarHBondContact O-N 3.06Å; M875-L887 HydrophobicContact SD-CD1 4.41Å; V877-L887 HydrophobicContact CG2-CD1 3.79Å; V877-L887 HydrophobicContact CG2-CG 4.17Å; I885-L887 HydrophobicContact CG2-CD2 3.83Å; I885-L887 HydrophobicContact CG2-CG 4.23Å; L887-L889 HydrophobicContact CB-CD1 4.33Å; L887-W901 HydrophobicContact CD1-CE3 4.26Å; L887-S902 CarbonylContact C-O 3.41Å; L887-S902 WeakPolarHBondContact CA-O 3.15Å; L887-I903 HydrophobicContact CD2-CB 4.23Å; L887-I903 HydrophobicContact CD2-CG1 3.58Å
888K92.2Very high87.5Confident19 Ų1944.4 Ų44.48%0.08326%0.257CS..EExtended strand (participates in β ladder)trans-116.7126.3168.1-170165.9-177.8-172.50109.2S861 Y873 Y890 S902 V904S861-K888 WeakPolarHBondContact OG-CE 3.48Å; Y873-K888 WeakPolarHBondContact O-CA 3.26Å; K888-Y890 HydrophobicContact CB-CE2 4.3Å; K888-Y890 HydrophobicContact CD-CE1 4.25Å; K888-Y890 HydrophobicContact CD-CE2 4.02Å; K888-Y890 WeakPolarHBondContact CD-OH 3.1Å; K888-Y890 VanDerWaalsContact CE-CZ 3.41Å; K888-Y890 WeakPolarHBondContact CE-OH 3.24Å; K888-Y890 HydrophobicContact CG-CD2 4.43Å; K888-Y890 HydrophobicContact CG-CE1 4.31Å; K888-Y890 HydrophobicContact CG-CE2 3.75Å; K888-Y890 PolarHBondContact NZ-OH 3.22Å; K888-Y890 VanDerWaalsContact NZ-OH 3.1Å; K888-S902 PolarHBondContact N-O 2.67Å; K888-S902 PolarHBondContact O-N 2.95Å; K888-S902 PolarHBondContact O-OG 2.82Å; K888-V904 HydrophobicContact CB-CG2 3.39Å; K888-V904 HydrophobicContact CD-CG2 4.36Å
889L92.5Very high87.1Confident0 Ų044.5 Ų44.50%026%0.257CS..EExtended strand (participates in β ladder)trans-106.8127.1-178.8-6478.5000107.9F811 S872 Y873 M875 L887 F899 T900 W901F811-L889 HydrophobicContact CD1-CD2 4.46Å; F811-L889 HydrophobicContact CE1-CD2 3.5Å; F811-L889 VanDerWaalsContact CE1-CD2 3.5Å; F811-L889 HydrophobicContact CZ-CD2 3.69Å; S872-L889 CarbonylContact C-O 3.47Å; S872-L889 WeakPolarHBondContact CA-O 3.05Å; S872-L889 WeakPolarHBondContact CB-O 3.43Å; Y873-L889 HydrophobicContact CD2-CB 4.38Å; Y873-L889 PolarHBondContact N-O 3.19Å; Y873-L889 PolarHBondContact O-N 3.48Å; M875-L889 HydrophobicContact CB-CD1 3.63Å; M875-L889 HydrophobicContact CE-CD1 4.16Å; M875-L889 HydrophobicContact CE-CD2 4.17Å; M875-L889 HydrophobicContact SD-CD1 4.42Å; L887-L889 HydrophobicContact CB-CD1 4.33Å; L889-F899 HydrophobicContact CB-CD1 4.08Å; L889-F899 HydrophobicContact CB-CG 4.47Å; L889-F899 HydrophobicContact CD2-CG 4.37Å; L889-T900 WeakPolarHBondContact CA-O 3.04Å; L889-W901 HydrophobicContact CD1-CE3 4.12Å; L889-W901 HydrophobicContact CD1-CZ3 4.03Å; L889-W901 HydrophobicContact CD2-CD2 4.23Å; L889-W901 HydrophobicContact CD2-CE3 3.79Å; L889-W901 HydrophobicContact CD2-CH2 3.37Å; L889-W901 HydrophobicContact CD2-CZ2 3.82Å; L889-W901 HydrophobicContact CD2-CZ3 3.36Å; L889-W901 HydrophobicContact CG-CD2 4.13Å; L889-W901 HydrophobicContact CG-CE3 3.65Å; L889-W901 HydrophobicContact CG-CH2 4.2Å; L889-W901 HydrophobicContact CG-CZ3 3.7Å
890Y88.7Confident86.8Confident90 Ų9047.6 Ų47.635%0.35328%0.276SS..EExtended strand (participates in β ladder)trans-112.9126.1173.6-62.7-85.5000109.3K888 T892 F899 T900K888-Y890 HydrophobicContact CB-CE2 4.3Å; K888-Y890 HydrophobicContact CD-CE1 4.25Å; K888-Y890 HydrophobicContact CD-CE2 4.02Å; K888-Y890 WeakPolarHBondContact CD-OH 3.1Å; K888-Y890 VanDerWaalsContact CE-CZ 3.41Å; K888-Y890 WeakPolarHBondContact CE-OH 3.24Å; K888-Y890 HydrophobicContact CG-CD2 4.43Å; K888-Y890 HydrophobicContact CG-CE1 4.31Å; K888-Y890 HydrophobicContact CG-CE2 3.75Å; K888-Y890 PolarHBondContact NZ-OH 3.22Å; K888-Y890 VanDerWaalsContact NZ-OH 3.1Å; Y890-T892 PolarHBondContact O-N 3.19Å; Y890-F899 CarbonylContact O-C 3.58Å; Y890-F899 WeakPolarHBondContact O-CA 3.19Å; Y890-T900 PolarHBondContact N-O 2.84Å; Y890-T900 PolarHBondContact O-N 2.86Å
891E86.8Confident86.5Confident34 Ų3445.2 Ų45.216%0.15926%0.264CS..EExtended strand (participates in β ladder)trans-64.3119.9174.1-166.6174.9-177.900109.1Y809 L870 R871 F898 F899Y809-E891 PolarHBondContact OH-OE1 3.2Å; L870-E891 HydrophobicContact CB-CB 4.44Å; L870-E891 HydrophobicContact CD2-CB 4.08Å; L870-E891 HydrophobicContact CD2-CG 4.01Å; L870-E891 WeakPolarHBondContact CD2-O 3.3Å; R871-E891 WeakPolarHBondContact O-CB 3.41Å; R871-E891 PolarHBondContact O-N 3.41Å; R871-E891 VanDerWaalsContact O-N 3.08Å; E891-F898 HydrophobicContact CG-CD1 4.41Å; E891-F898 HydrophobicContact CG-CE1 3.79Å; E891-F898 HydrophobicContact CG-CZ 4.29Å; E891-F898 WeakPolarHBondContact OE1-CZ 3.24Å; E891-F899 HydrophobicContact CB-CD1 4.31Å; E891-F899 HydrophobicContact CB-CE1 3.86Å; E891-F899 HydrophobicContact CG-CE1 4.2Å
892T77.7Confident86.4Confident35 Ų3546 Ų4622%0.21527%0.269CS..  trans-106.2112.9171.539.50000106.2Y890 S894 S897 F898 T900Y890-T892 PolarHBondContact O-N 3.19Å; T892-S894 PolarHBondContact O-N 3.26Å; T892-S897 PolarHBondContact OG1-O 3.3Å; T892-F898 PolarHBondContact N-O 2.96Å; T892-F898 PolarHBondContact OG1-O 2.81Å; T892-F898 VanDerWaalsContact OG1-O 3.13Å; T892-T900 WeakPolarHBondContact CG2-OG1 3.49Å
893G72.9Confident86.2Confident75 Ų7549.7 Ų49.777%0.77329%0.288SS*.  trans-63.321.8176.200000114.9
894S72.2Confident85.9Confident55 Ų5548.4 Ų48.439%0.38528%0.283SS..  trans-90.3152.3178.287.90000111.2T892 S897T892-S894 PolarHBondContact O-N 3.26Å; S894-S897 PolarHBondContact OG-O 2.93Å
895S68.5Low85.6Confident128 Ų12849.5 Ų49.590%0.89529%0.288SS*.SBendtrans-82.8-16.3179.752.90000114.7
896E67.9Low85.4Confident189 Ų18953.2 Ų53.288%0.88331%0.308SS*.SBendtrans-84.1-43.7-174.8-67.9-170.816600112.6
897S72.2Confident85.3Confident50 Ų5053.8 Ų53.835%0.3531%0.311SS..  trans-136.1124.9170.752.90000108.1T892 S894T892-S897 PolarHBondContact OG1-O 3.3Å; S894-S897 PolarHBondContact OG-O 2.93Å
898F83.8Confident85.1Confident57 Ų5754.7 Ų54.725%0.2532%0.317CS..SBendtrans-77-32.3-177.3-162.2-85.5000110.9Y809 D844 E891 T892Y809-F898 AromaticContact CE1-CE1 3.8Å; Y809-F898 HydrophobicContact CE1-CE1 3.8Å; Y809-F898 HydrophobicContact CE1-CZ 4.24Å; Y809-F898 AromaticContact CZ-CE1 3.65Å; Y809-F898 VanDerWaalsContact OH-CE1 3.27Å; Y809-F898 WeakPolarHBondContact OH-CE1 3.28Å; Y809-F898 WeakPolarHBondContact OH-CZ 3.38Å; D844-F898 HydrophobicContact CB-CB 4.41Å; E891-F898 HydrophobicContact CG-CD1 4.41Å; E891-F898 HydrophobicContact CG-CE1 3.79Å; E891-F898 HydrophobicContact CG-CZ 4.29Å; E891-F898 WeakPolarHBondContact OE1-CZ 3.24Å; T892-F898 PolarHBondContact N-O 2.96Å; T892-F898 PolarHBondContact OG1-O 2.81Å; T892-F898 VanDerWaalsContact OG1-O 3.13Å
899F89.2Confident84.9Confident2 Ų257.9 Ų57.91%0.00934%0.339CS..EExtended strand (participates in β ladder)trans-120.4140.4172.7-69.9-72.6000111.8Y809 C821 D844 Y873 L889 Y890 E891 W901Y809-F899 HydrophobicContact CD2-CZ 4.05Å; Y809-F899 HydrophobicContact CE2-CZ 4.01Å; Y809-F899 HydrophobicContact CG-CZ 4.38Å; C821-F899 VanDerWaalsContact SG-CE2 3.54Å; D844-F899 WeakPolarHBondContact OD2-CB 3.44Å; D844-F899 PolarHBondContact OD2-N 2.84Å; Y873-F899 AromaticContact CD2-CE1 3.93Å; Y873-F899 HydrophobicContact CD2-CE1 3.93Å; Y873-F899 HydrophobicContact CD2-CZ 4.38Å; Y873-F899 AromaticContact CE2-CE1 3.64Å; Y873-F899 HydrophobicContact CE2-CE1 3.64Å; Y873-F899 AromaticContact CE2-CZ 3.91Å; Y873-F899 HydrophobicContact CE2-CZ 3.91Å; L889-F899 HydrophobicContact CB-CD1 4.08Å; L889-F899 HydrophobicContact CB-CG 4.47Å; L889-F899 HydrophobicContact CD2-CG 4.37Å; Y890-F899 CarbonylContact O-C 3.58Å; Y890-F899 WeakPolarHBondContact O-CA 3.19Å; E891-F899 HydrophobicContact CB-CD1 4.31Å; E891-F899 HydrophobicContact CB-CE1 3.86Å; E891-F899 HydrophobicContact CG-CE1 4.2Å; F899-W901 HydrophobicContact CB-CZ2 4.48Å; F899-W901 VanDerWaalsContact O-CD1 3.3Å
900T90Very high84.6Confident67 Ų6758.6 Ų58.641%0.41134%0.343SS..EExtended strand (participates in β ladder)trans-88.1116.8158.6-60.90000108.8L889 Y890 T892L889-T900 WeakPolarHBondContact CA-O 3.04Å; Y890-T900 PolarHBondContact N-O 2.84Å; Y890-T900 PolarHBondContact O-N 2.86Å; T892-T900 WeakPolarHBondContact CG2-OG1 3.49Å
901W92.1Very high84.7Confident38 Ų3855.5 Ų55.514%0.14433%0.331CS..EExtended strand (participates in β ladder)trans-92.5130.2178.5-57.176.7000109.4F811 I819 C821 D844 Y846 M875 L887 L889 F899F811-W901 HydrophobicContact CD1-CH2 4.06Å; F811-W901 AromaticContact CE1-CH2 3.96Å; F811-W901 HydrophobicContact CE1-CH2 3.96Å; I819-W901 HydrophobicContact CG2-CH2 4.24Å; I819-W901 HydrophobicContact CG2-CZ3 4.45Å; C821-W901 HydrophobicContact CB-CZ2 4.44Å; D844-W901 PolarHBondContact OD2-NE1 3.35Å; Y846-W901 HydrophobicContact CD2-CB 3.57Å; Y846-W901 AromaticContact CD2-CD2 3.94Å; Y846-W901 HydrophobicContact CD2-CD2 3.94Å; Y846-W901 HydrophobicContact CD2-CE3 4.15Å; Y846-W901 AromaticContact CD2-CG 3.69Å; Y846-W901 HydrophobicContact CD2-CG 3.69Å; Y846-W901 HydrophobicContact CE2-CB 3.79Å; Y846-W901 HydrophobicContact CE2-CG 4.41Å; Y846-W901 HydrophobicContact CG-CB 4.47Å; Y846-W901 HydrophobicContact CG-CD2 4.04Å; Y846-W901 AromaticContact CG-CE3 3.89Å; Y846-W901 HydrophobicContact CG-CE3 3.89Å; Y846-W901 HydrophobicContact CG-CG 4.29Å; Y846-W901 HydrophobicContact CG-CZ3 4.48Å; M875-W901 HydrophobicContact CE-CH2 4.43Å; M875-W901 HydrophobicContact CE-CZ3 4.16Å; M875-W901 HydrophobicContact SD-CZ3 4.13Å; L887-W901 HydrophobicContact CD1-CE3 4.26Å; L889-W901 HydrophobicContact CD1-CE3 4.12Å; L889-W901 HydrophobicContact CD1-CZ3 4.03Å; L889-W901 HydrophobicContact CD2-CD2 4.23Å; L889-W901 HydrophobicContact CD2-CE3 3.79Å; L889-W901 HydrophobicContact CD2-CH2 3.37Å; L889-W901 HydrophobicContact CD2-CZ2 3.82Å; L889-W901 HydrophobicContact CD2-CZ3 3.36Å; L889-W901 HydrophobicContact CG-CD2 4.13Å; L889-W901 HydrophobicContact CG-CE3 3.65Å; L889-W901 HydrophobicContact CG-CH2 4.2Å; L889-W901 HydrophobicContact CG-CZ3 3.7Å; F899-W901 HydrophobicContact CB-CZ2 4.48Å; F899-W901 VanDerWaalsContact O-CD1 3.3Å
902S91.6Very high85.1Confident39 Ų3954 Ų5427%0.27332%0.324SS..EExtended strand (participates in β ladder)trans-133.8134.3175.959.30000110.4L887 K888 V904L887-S902 CarbonylContact C-O 3.41Å; L887-S902 WeakPolarHBondContact CA-O 3.15Å; K888-S902 PolarHBondContact N-O 2.67Å; K888-S902 PolarHBondContact O-N 2.95Å; K888-S902 PolarHBondContact O-OG 2.82Å; S902-V904 PolarHBondContact O-N 3.48Å
903I91.3Very high86Confident79 Ų7952.4 Ų52.441%0.40531%0.314SS..EExtended strand (participates in β ladder)trans-76.9118.7171-60.8171.8000107.5Y846 I885 L887Y846-I903 WeakPolarHBondContact OH-CG1 3.37Å; I885-I903 HydrophobicContact CG2-CG2 4.29Å; L887-I903 HydrophobicContact CD2-CB 4.23Å; L887-I903 HydrophobicContact CD2-CG1 3.58Å
904V90Very high87Confident46 Ų4648.8 Ų48.828%0.27928%0.277SS..EExtended strand (participates in β ladder)trans-84.6-45.2174.4-177.80000110L874 L886 K888 S902 L958L874-V904 HydrophobicContact CD1-CG2 4.39Å; L886-V904 HydrophobicContact CB-CB 4.42Å; L886-V904 HydrophobicContact CD2-CB 4.39Å; L886-V904 HydrophobicContact CD2-CG1 4.3Å; L886-V904 HydrophobicContact CG-CB 4.45Å; L886-V904 PolarHBondContact O-N 3.21Å; K888-V904 HydrophobicContact CB-CG2 3.39Å; K888-V904 HydrophobicContact CD-CG2 4.36Å; S902-V904 PolarHBondContact O-N 3.48Å; V904-L958 HydrophobicContact CG1-CD2 3.53Å
905L91.3Very high88Confident23 Ų2349.7 Ų49.712%0.1228%0.282CS..EExtended strand (participates in β ladder)trans-153.8132.1-177.7-178.163.5000111.3L11 I15 L886 F907L11-L905 HydrophobicContact CD1-CD1 3.55Å; L11-L905 HydrophobicContact CD1-CD2 3.89Å; L11-L905 HydrophobicContact CD1-CG 4.31Å; L11-L905 HydrophobicContact CD2-CD1 4.04Å; L11-L905 HydrophobicContact CD2-CD2 4.16Å; L11-L905 HydrophobicContact CG-CD1 4.43Å; L11-L905 HydrophobicContact CG-CD2 4.37Å; I15-L905 HydrophobicContact CD1-CD2 3.52Å; L886-L905 HydrophobicContact CB-CB 4.2Å; L886-L905 PolarHBondContact N-O 2.8Å; L886-L905 PolarHBondContact O-N 3.05Å; L905-F907 HydrophobicContact CD2-CD2 3.89Å; L905-F907 HydrophobicContact CD2-CE2 3.85Å; L905-F907 HydrophobicContact CD2-CG 4.34Å; L905-F907 HydrophobicContact CD2-CZ 4.28Å; L905-F907 HydrophobicContact CG-CD2 4.17Å; L905-F907 HydrophobicContact CG-CE2 4.44Å
906N92.6Very high89.1Confident92 Ų9246.6 Ų46.649%0.49227%0.27SS..EExtended strand (participates in β ladder)trans-92.8117.4155.5-67.3-42000107.2I885I885-N906 WeakPolarHBondContact CG1-OD1 3.44Å
907F92.6Very high90.3Very high11 Ų1140.2 Ų40.25%0.04824%0.239CC..PPolyproline II helixtrans-61.1140.7-178.6-81.9-119.3000109.4I15 I884 L886 L905 W911 C912 L939 F951I15-F907 HydrophobicContact CD1-CZ 4.3Å; I15-F907 HydrophobicContact CG2-CE1 4Å; I15-F907 HydrophobicContact CG2-CZ 4.1Å; I884-F907 HydrophobicContact CB-CB 4.07Å; I884-F907 HydrophobicContact CB-CD1 4.49Å; I884-F907 HydrophobicContact CB-CD2 4Å; I884-F907 HydrophobicContact CB-CG 3.94Å; I884-F907 HydrophobicContact CG2-CD1 4.48Å; I884-F907 HydrophobicContact CG2-CD2 3.72Å; I884-F907 HydrophobicContact CG2-CE2 3.86Å; I884-F907 HydrophobicContact CG2-CG 4.06Å; I884-F907 HydrophobicContact CG2-CZ 4.32Å; I884-F907 WeakPolarHBondContact O-CB 3.38Å; I884-F907 WeakPolarHBondContact O-CD2 3.45Å; I884-F907 PolarHBondContact O-N 3.29Å; L886-F907 HydrophobicContact CB-CE2 4.26Å; L905-F907 HydrophobicContact CD2-CD2 3.89Å; L905-F907 HydrophobicContact CD2-CE2 3.85Å; L905-F907 HydrophobicContact CD2-CG 4.34Å; L905-F907 HydrophobicContact CD2-CZ 4.28Å; L905-F907 HydrophobicContact CG-CD2 4.17Å; L905-F907 HydrophobicContact CG-CE2 4.44Å; F907-W911 HydrophobicContact CB-CB 4.46Å; F907-W911 HydrophobicContact CD1-CB 4.04Å; F907-W911 AromaticContact CD1-CE3 3.85Å; F907-W911 HydrophobicContact CD1-CE3 3.85Å; F907-W911 HydrophobicContact CE1-CE3 4.15Å; F907-C912 PolarHBondContact O-SG 2.91Å; F907-C912 VanDerWaalsContact O-SG 3.4Å; F907-L939 HydrophobicContact CZ-CD2 4.43Å; F907-F951 HydrophobicContact CD1-CD1 4.4Å; F907-F951 HydrophobicContact CD1-CE1 4Å; F907-F951 HydrophobicContact CD1-CZ 4.15Å; F907-F951 AromaticContact CE1-CD1 3.72Å; F907-F951 HydrophobicContact CE1-CD1 3.72Å; F907-F951 HydrophobicContact CE1-CD2 4.24Å; F907-F951 AromaticContact CE1-CE1 3.78Å; F907-F951 HydrophobicContact CE1-CE1 3.78Å; F907-F951 HydrophobicContact CE1-CE2 4.29Å; F907-F951 AromaticContact CE1-CG 3.96Å; F907-F951 HydrophobicContact CE1-CG 3.96Å; F907-F951 HydrophobicContact CE1-CZ 4.07Å
908P90.1Very high91.5Very high20 Ų2041.1 Ų41.113%0.1324%0.235CC..PPolyproline II helixtrans-65.5153.9178.431.5-36.8000110D910 W911 C912P908-D910 VanDerWaalsContact CB-OD1 3.25Å; P908-D910 WeakPolarHBondContact CB-OD1 3.38Å; P908-D910 WeakPolarHBondContact CG-OD1 3.21Å; P908-D910 PolarHBondContact O-N 2.94Å; P908-D910 VanDerWaalsContact O-N 3.13Å; P908-W911 HydrophobicContact CG-CB 4.03Å; P908-W911 HydrophobicContact CG-CD2 3.77Å; P908-W911 HydrophobicContact CG-CE3 4.05Å; P908-W911 HydrophobicContact CG-CG 3.76Å; P908-W911 PolarHBondContact O-N 2.75Å; P908-C912 PolarHBondContact O-N 3.44Å; P908-C912 PolarHBondContact O-SG 2.91Å; P908-C912 VanDerWaalsContact O-SG 3.38Å
909P89Confident92.1Very high85 Ų8538.4 Ų38.455%0.55222%0.223SC*.THydrogen-bonded Turntrans-57.1-30.5-172.4-28.436.1000115P88 W911 C912P88-P909 HydrophobicContact CG-CB 4.11Å; P909-W911 VanDerWaalsContact C-N 3.3Å; P909-C912 PolarHBondContact O-N 2.84Å
910D87.1Confident92.5Very high16 Ų1640.2 Ų40.29%0.08623%0.23CC..THydrogen-bonded Turntrans-73.9-17.9176.760.5-46000113.5T86 T145 P908 R949T86-D910 WeakPolarHBondContact O-CB 3.43Å; T86-D910 PolarHBondContact OG1-O 2.87Å; T145-D910 WeakPolarHBondContact CB-OD2 3.27Å; T145-D910 VanDerWaalsContact CG2-OD2 3.26Å; T145-D910 WeakPolarHBondContact CG2-OD2 3.06Å; P908-D910 VanDerWaalsContact CB-OD1 3.25Å; P908-D910 WeakPolarHBondContact CB-OD1 3.38Å; P908-D910 WeakPolarHBondContact CG-OD1 3.21Å; P908-D910 PolarHBondContact O-N 2.94Å; P908-D910 VanDerWaalsContact O-N 3.13Å; D910-R949 PolarHBondContact O-NH2 3.29Å
911W90.9Very high92.9Very high24 Ų2438.7 Ų38.79%0.09122%0.217CC..THydrogen-bonded Turntrans-96.5-15172.1-68.79.1000112.3L11 N12 I15 F907 P908 P909 R949 F951L11-W911 HydrophobicContact CD2-CH2 4.17Å; L11-W911 HydrophobicContact CD2-CZ3 3.93Å; N12-W911 WeakPolarHBondContact OD1-CH2 3.49Å; N12-W911 VanDerWaalsContact OD1-CZ2 3.29Å; N12-W911 WeakPolarHBondContact OD1-CZ2 3.42Å; I15-W911 HydrophobicContact CB-CZ3 4.2Å; I15-W911 HydrophobicContact CG2-CE3 4.39Å; I15-W911 HydrophobicContact CG2-CZ3 3.77Å; I15-W911 WeakPolarHBondContact O-CH2 3.22Å; F907-W911 HydrophobicContact CB-CB 4.46Å; F907-W911 HydrophobicContact CD1-CB 4.04Å; F907-W911 AromaticContact CD1-CE3 3.85Å; F907-W911 HydrophobicContact CD1-CE3 3.85Å; F907-W911 HydrophobicContact CE1-CE3 4.15Å; P908-W911 HydrophobicContact CG-CB 4.03Å; P908-W911 HydrophobicContact CG-CD2 3.77Å; P908-W911 HydrophobicContact CG-CE3 4.05Å; P908-W911 HydrophobicContact CG-CG 3.76Å; P908-W911 PolarHBondContact O-N 2.75Å; P909-W911 VanDerWaalsContact C-N 3.3Å; W911-R949 VanDerWaalsContact O-CD 3.26Å; W911-R949 WeakPolarHBondContact O-CD 3.08Å; W911-R949 PolarHBondContact O-NE 2.92Å; W911-F951 HydrophobicContact CB-CE1 3.95Å; W911-F951 HydrophobicContact CB-CZ 4.26Å; W911-F951 HydrophobicContact CD2-CE1 4.27Å; W911-F951 HydrophobicContact CE3-CD1 4.48Å; W911-F951 HydrophobicContact CE3-CE1 4.22Å; W911-F951 HydrophobicContact CG-CE1 4.19Å; W911-F951 WeakPolarHBondContact O-CZ 3.25Å
912C94.2Very high93.1Very high3 Ų337.3 Ų37.32%0.0221%0.212CC..SBendtrans-76.5174.8175.2-66.90000111.8G882 F907 P908 P909 R949G882-C912 WeakPolarHBondContact O-CB 3.22Å; F907-C912 PolarHBondContact O-SG 2.91Å; F907-C912 VanDerWaalsContact O-SG 3.4Å; P908-C912 PolarHBondContact O-N 3.44Å; P908-C912 PolarHBondContact O-SG 2.91Å; P908-C912 VanDerWaalsContact O-SG 3.38Å; P909-C912 PolarHBondContact O-N 2.84Å; C912-R949 PolarHBondContact O-NE 3.16Å; C912-R949 PolarHBondContact O-NH2 3.18Å
913H95.9Very high93.4Very high1 Ų136.9 Ų36.91%0.00521%0.209CC..PPolyproline II helixtrans-78.7167.1166.7-72.7-92000110.3G882 T941 D945 I947G882-H913 PolarHBondContact O-N 3.4Å; H913-T941 WeakPolarHBondContact NE2-CB 3.28Å; H913-T941 PolarHBondContact NE2-OG1 2.75Å; H913-D945 VanDerWaalsContact CA-OD2 3.26Å; H913-D945 WeakPolarHBondContact CA-OD2 3.49Å; H913-D945 WeakPolarHBondContact CB-OD2 3.5Å; H913-D945 IonicContact CE1-OD1 2.99Å; H913-D945 IonicContact CG-OD1 2.73Å; H913-D945 IonicContact CG-OD2 3.8Å; H913-D945 IonicContact ND1-OD1 2.91Å; H913-D945 PolarHBondContact ND1-OD1 3.16Å; H913-D945 IonicContact ND1-OD2 3.69Å; H913-D945 PolarHBondContact ND1-OD2 3.31Å; H913-I947 PolarHBondContact CE1-O 3.45Å; H913-I947 VanDerWaalsContact CE1-O 3.29Å
914V94Very high93.5Very high0 Ų033.6 Ų33.60%019%0.192CC..PPolyproline II helixtrans-51.4129.4-179.1170.90000111.1H54 F55 G916 K917 D945H54-V914 HydrophobicContact CB-CG1 3.62Å; H54-V914 HydrophobicContact CB-CG2 4.46Å; H54-V914 WeakPolarHBondContact ND1-CG1 3.4Å; F55-V914 HydrophobicContact CD1-CG2 3.96Å; F55-V914 HydrophobicContact CD2-CG2 3.47Å; F55-V914 VanDerWaalsContact CD2-CG2 3.47Å; F55-V914 HydrophobicContact CE1-CB 4.41Å; F55-V914 HydrophobicContact CE1-CG2 4Å; F55-V914 HydrophobicContact CE2-CB 4.26Å; F55-V914 HydrophobicContact CE2-CG2 3.54Å; F55-V914 HydrophobicContact CG-CG2 3.71Å; F55-V914 HydrophobicContact CZ-CB 4.2Å; F55-V914 HydrophobicContact CZ-CG2 3.85Å; V914-G916 PolarHBondContact O-N 3.08Å; V914-G916 VanDerWaalsContact O-N 3.17Å; V914-K917 HydrophobicContact CB-CB 4.1Å; V914-K917 HydrophobicContact CB-CG 3.73Å; V914-K917 HydrophobicContact CG1-CB 4.46Å; V914-K917 HydrophobicContact CG1-CG 3.68Å; V914-K917 WeakPolarHBondContact O-CB 3.36Å; V914-K917 PolarHBondContact O-N 2.85Å; V914-D945 HydrophobicContact CB-CB 3.82Å; V914-D945 HydrophobicContact CG2-CB 3.58Å; V914-D945 PolarHBondContact N-OD2 2.62Å
915P93Very high93.5Very high73 Ų7332.2 Ų32.247%0.47418%0.184SC..THydrogen-bonded Turntrans-53.1123177.2-28.835.5000112.4S881S881-P915 WeakPolarHBondContact O-CA 3.21Å
916G91.9Very high92.9Very high63 Ų6333.9 Ų33.965%0.64920%0.197SC*.THydrogen-bonded Turntrans85.9-2-179.100000115.3S881 V914S881-G916 PolarHBondContact O-N 2.88Å; V914-G916 PolarHBondContact O-N 3.08Å; V914-G916 VanDerWaalsContact O-N 3.17Å
917K94.6Very high91.7Very high55 Ų5532 Ų3224%0.23919%0.185CC..SBendtrans-94131.5167.5-62.3-74.2-175.2165.30108.6H54 E880 G882 V914 D944 D945H54-K917 WeakPolarHBondContact CE1-CE 3.47Å; H54-K917 WeakPolarHBondContact NE2-CE 3.24Å; H54-K917 PolarHBondContact NE2-NZ 3.43Å; E880-K917 CarbonylContact O-C 3.43Å; G882-K917 WeakPolarHBondContact CA-O 3.27Å; G882-K917 PolarHBondContact N-O 2.77Å; G882-K917 VanDerWaalsContact N-O 3.13Å; V914-K917 HydrophobicContact CB-CB 4.1Å; V914-K917 HydrophobicContact CB-CG 3.73Å; V914-K917 HydrophobicContact CG1-CB 4.46Å; V914-K917 HydrophobicContact CG1-CG 3.68Å; V914-K917 WeakPolarHBondContact O-CB 3.36Å; V914-K917 PolarHBondContact O-N 2.85Å; K917-D944 HydrophobicContact CB-CB 4.02Å; K917-D944 HydrophobicContact CD-CB 4.19Å; K917-D945 HydrophobicContact CB-CB 4.15Å; K917-D945 HydrophobicContact CG-CB 4.16Å
918R96.1Very high89.8Confident70 Ų7034.7 Ų34.726%0.26420%0.2SC..PPolyproline II helixtrans-71.3140.4-175.685.7-160.4163149.2-15.1111.1E880 R920 G943 D944E880-R918 HydrophobicContact CG-CB 4.41Å; E880-R918 WeakPolarHBondContact O-CA 3.34Å; R918-R920 HydrophobicContact CG-CG 4.02Å; R918-R920 VanDerWaalsContact NH2-NH1 3.15Å; R918-G943 WeakPolarHBondContact O-CA 3.28Å; R918-D944 WeakPolarHBondContact CD-OD2 3.47Å; R918-D944 HydrophobicContact CG-CB 4.29Å; R918-D944 WeakPolarHBondContact CG-OD2 3.34Å; R918-D944 IonicContact NE-OD1 3.67Å; R918-D944 PolarHBondContact NE-OD1 3.24Å; R918-D944 IonicContact NE-OD2 3.71Å; R918-D944 PolarHBondContact NE-OD2 2.97Å; R918-D944 IonicContact NH2-OD1 3.12Å; R918-D944 PolarHBondContact O-N 3.08Å
919L97.3Very high87.4Confident0 Ų039.3 Ų39.30%022%0.223CC..EExtended strand (participates in β ladder)trans-78.3123.3165.9-160.8155.5000108.5T854 A855 L879 I884 R921 I922T854-L919 WeakPolarHBondContact CB-O 3.34Å; T854-L919 PolarHBondContact OG1-O 3.07Å; A855-L919 HydrophobicContact CB-CD2 3.69Å; L879-L919 PolarHBondContact O-N 3.28Å; I884-L919 HydrophobicContact CD1-CD1 4.11Å; I884-L919 HydrophobicContact CG1-CD1 3.43Å; I884-L919 VanDerWaalsContact CG1-CD1 3.43Å; L919-R921 VanDerWaalsContact CD2-C 3.5Å; L919-R921 WeakPolarHBondContact CD2-O 3.23Å; L919-I922 HydrophobicContact CD2-CB 4.09Å
920R97Very high85.1Confident39 Ų3936.9 Ų36.915%0.14721%0.208CC..EExtended strand (participates in β ladder)trans-92.6-44.2-174.2-72.6-161178.7-14516.9113.2V485 R918 S942 D944V485-R920 WeakPolarHBondContact O-CD 3.45Å; R918-R920 HydrophobicContact CG-CG 4.02Å; R918-R920 VanDerWaalsContact NH2-NH1 3.15Å; R920-S942 PolarHBondContact N-O 3.07Å; R920-D944 IonicContact CZ-OD1 3.86Å; R920-D944 IonicContact NE-OD1 2.77Å; R920-D944 PolarHBondContact NE-OD1 3Å; R920-D944 IonicContact NH2-OD1 3.86Å; R920-D944 PolarHBondContact NH2-OD1 3.09Å
921R97.7Very high82.5Confident35 Ų3542.7 Ų42.713%0.13223%0.23CC..EExtended strand (participates in β ladder)trans-138144.2177.7-69.6-62.2-160.6-1661.9112D487 L488 Q741 L919 T941 S942D487-R921 WeakPolarHBondContact OD1-CD 3.22Å; D487-R921 VanDerWaalsContact OD1-CG 3.29Å; D487-R921 WeakPolarHBondContact OD1-CG 3.38Å; D487-R921 IonicContact OD1-CZ 3.98Å; D487-R921 IonicContact OD1-NE 4Å; D487-R921 PolarHBondContact OD1-NE 2.99Å; D487-R921 IonicContact OD1-NH2 3.18Å; D487-R921 PolarHBondContact OD1-NH2 3.28Å; D487-R921 IonicContact OD2-CZ 3.08Å; D487-R921 IonicContact OD2-NE 3.14Å; D487-R921 IonicContact OD2-NH2 3.68Å; D487-R921 PolarHBondContact OD2-NH2 2.86Å; L488-R921 HydrophobicContact CB-CB 4.48Å; L488-R921 HydrophobicContact CD2-CB 3.53Å; L488-R921 HydrophobicContact CG-CB 3.65Å; L488-R921 HydrophobicContact CG-CG 4.41Å; Q741-R921 VanDerWaalsContact NE2-NH1 3.16Å; L919-R921 VanDerWaalsContact CD2-C 3.5Å; L919-R921 WeakPolarHBondContact CD2-O 3.23Å; R921-T941 WeakPolarHBondContact O-CA 3.13Å; R921-S942 PolarHBondContact N-O 3.38Å; R921-S942 PolarHBondContact O-N 2.88Å
922I97.8Very high80.2Confident9 Ų948.4 Ų48.45%0.04626%0.261CS..EExtended strand (participates in β ladder)trans-133.3133.3169.9-166.9150.3000106.1A855 I856 D857 A876 I884 L919 L939 A940 T941A855-I922 HydrophobicContact CB-CB 4.14Å; A855-I922 HydrophobicContact CB-CG2 3.68Å; I856-I922 VanDerWaalsContact C-CG2 3.5Å; D857-I922 HydrophobicContact CB-CG2 4.2Å; A876-I922 HydrophobicContact CB-CD1 3.5Å; A876-I922 HydrophobicContact CB-CG1 3.86Å; I884-I922 HydrophobicContact CG2-CD1 3.95Å; L919-I922 HydrophobicContact CD2-CB 4.09Å; I922-L939 HydrophobicContact CD1-CD1 4.15Å; I922-L939 HydrophobicContact CD1-CD2 4.27Å; I922-L939 HydrophobicContact CD1-CG 4.49Å; I922-L939 HydrophobicContact CG1-CD1 3.53Å; I922-L939 HydrophobicContact CG1-CG 4.2Å; I922-A940 WeakPolarHBondContact CA-O 3.45Å; I922-T941 HydrophobicContact CD1-CG2 3.86Å; I922-T941 HydrophobicContact CG1-CG2 3.9Å
923S96.6Very high77.9Confident31 Ų3156.5 Ų56.522%0.21730%0.296CS..EExtended strand (participates in β ladder)trans-151.5131.7175.8-172.90000112.1W490 D857 A940W490-S923 PolarHBondContact NE1-O 3.02Å; D857-S923 WeakPolarHBondContact OD2-CA 3.12Å; D857-S923 PolarHBondContact OD2-OG 2.8Å; S923-A940 PolarHBondContact N-O 3.15Å; S923-A940 PolarHBondContact O-N 3.31Å
924F93.8Very high76.1Confident10 Ų1059 Ų594%0.04431%0.312CS..EExtended strand (participates in β ladder)trans-72.1146.6167.2-70.5-75.9000110.4W490 D857 C859 L874 A876 L886 R937 Y938 L939 I953W490-F924 PolarHBondContact NE1-O 2.88Å; D857-F924 HydrophobicContact CB-CD2 4.03Å; D857-F924 PolarHBondContact OD2-N 3.19Å; C859-F924 HydrophobicContact CB-CB 4.26Å; C859-F924 HydrophobicContact CB-CD1 4.35Å; C859-F924 HydrophobicContact CB-CD2 3.88Å; C859-F924 HydrophobicContact CB-CE2 4.27Å; C859-F924 HydrophobicContact CB-CG 3.91Å; L874-F924 HydrophobicContact CD2-CE1 4.45Å; L874-F924 HydrophobicContact CD2-CZ 4.33Å; L874-F924 HydrophobicContact CG-CZ 4.48Å; A876-F924 HydrophobicContact CB-CE2 3.68Å; A876-F924 HydrophobicContact CB-CZ 3.66Å; L886-F924 HydrophobicContact CD1-CZ 4.21Å; F924-R937 HydrophobicContact CD1-CB 4.49Å; F924-Y938 CarbonylContact C-O 3.59Å; F924-Y938 VanDerWaalsContact CA-O 3.29Å; F924-Y938 WeakPolarHBondContact CA-O 3.4Å; F924-L939 HydrophobicContact CD1-CB 4.21Å; F924-L939 HydrophobicContact CD1-CD1 3.84Å; F924-L939 HydrophobicContact CD2-CD1 4.27Å; F924-L939 HydrophobicContact CE1-CB 4.25Å; F924-L939 HydrophobicContact CE1-CD1 3.84Å; F924-L939 HydrophobicContact CE1-CG 4.45Å; F924-L939 HydrophobicContact CE2-CD1 4.27Å; F924-L939 HydrophobicContact CG-CD1 4.07Å; F924-L939 HydrophobicContact CZ-CD1 4.06Å; F924-I953 HydrophobicContact CE1-CD1 4.11Å
925S89.4Confident75.2Confident16 Ų1660.5 Ų60.511%0.11232%0.324CS..PPolyproline II helixtrans-59144.417057.50000110.6Y938S925-Y938 PolarHBondContact N-O 3.4Å; S925-Y938 PolarHBondContact OG-N 3.3Å
926P79.9Confident74.6Confident59 Ų5959.8 Ų59.838%0.38332%0.316SS..PPolyproline II helixtrans-50.4140.5179.6-24.631.1000112.9W490W490-P926 HydrophobicContact CB-CG 4.06Å
927Q66.4Low74.3Confident53 Ų5358.7 Ų58.725%0.24829%0.292CS..PPolyproline II helixtrans-81.2122.3173.9-70.4-172.4-29.400109.8
928N52.6Low74.2Confident66 Ų6657.4 Ų57.435%0.35329%0.286SS..PPolyproline II helixtrans-81.3123.2158-78.20.3000107.4F499 S930F499-N928 PolarHBondContact O-ND2 3.19Å; N928-S930 PolarHBondContact O-N 3.18Å
929D41.3Very low74.1Confident117 Ų11754 Ų5463%0.62627%0.273SS*.SBendtrans-58.73.4-176.3-91.4-24.8000115.2Y931D929-Y931 PolarHBondContact O-N 2.94Å
930S40Very low74.1Confident34 Ų3454 Ų5424%0.23827%0.273CS..  trans-71.184.3172.3640000110.2N500 N928 L932N500-S930 WeakPolarHBondContact OD1-CB 3.17Å; N928-S930 PolarHBondContact O-N 3.18Å; S930-L932 PolarHBondContact O-N 3.05Å
931Y33Very low74.2Confident139 Ų13952.2 Ų52.255%0.54527%0.266SS..THydrogen-bonded Turntrans-33.8126.2165.6-102.9-102.2000110.7E860 D929E860-Y931 PolarHBondContact OE1-OH 3.18Å; E860-Y931 VanDerWaalsContact OE1-OH 3.09Å; D929-Y931 PolarHBondContact O-N 2.94Å
932L41Very low74.2Confident143 Ų14350.5 Ų50.575%0.74926%0.26SS*.THydrogen-bonded Turntrans89.4-14.5158.7-60.4155.5000121.2S930S930-L932 PolarHBondContact O-N 3.05Å
933K47Very low74.1Confident173 Ų17350.1 Ų50.175%0.75226%0.258SS*.SBendtrans-92.1-35.4-169.8-82.2-175177.7-177.80117.2
934T58.3Low74.1Confident54 Ų5450.2 Ų50.233%0.33126%0.256SS..  trans-112.8104.417550.20000111.5D502 I936 R937D502-T934 WeakPolarHBondContact OD1-CG2 3.37Å; T934-I936 PolarHBondContact O-N 3.37Å; T934-R937 PolarHBondContact O-NH1 2.97Å
935A75.2Confident74.2Confident31 Ų3150 Ų5026%0.25626%0.255SS..  trans-65.21.2169.700000113.2N954 I955 K956A935-N954 WeakPolarHBondContact CB-OD1 3.05Å; A935-N954 CarbonylContact O-C 3.58Å; A935-N954 WeakPolarHBondContact O-CA 3.3Å; A935-I955 PolarHBondContact O-N 3.33Å; A935-K956 HydrophobicContact CB-CB 3.47Å; A935-K956 VanDerWaalsContact CB-CB 3.47Å; A935-K956 HydrophobicContact CB-CD 4.43Å
936I80.6Confident74.5Confident58 Ų5849.3 Ų49.330%0.29725%0.25SS..EExtended strand (participates in β ladder)trans-99.1134.5-173.5-61.6168.3000109.2T934 K952 I953T934-I936 PolarHBondContact O-N 3.37Å; I936-K952 HydrophobicContact CG2-CD 4.24Å; I936-K952 HydrophobicContact CG2-CG 3.67Å; I936-I953 CarbonylContact C-O 3.56Å; I936-I953 VanDerWaalsContact CA-O 3.28Å; I936-I953 WeakPolarHBondContact CA-O 3.42Å
937R85.8Confident75.3Confident40 Ų4046.5 Ų46.515%0.15123%0.232CC..EExtended strand (participates in β ladder)trans-129.4149.5166.5-69.7-62.6-178.9-93.11.9110.2F924 T934 I953 I955F924-R937 HydrophobicContact CD1-CB 4.49Å; T934-R937 PolarHBondContact O-NH1 2.97Å; R937-I953 PolarHBondContact N-O 3.3Å; R937-I953 PolarHBondContact O-N 3.34Å; R937-I955 HydrophobicContact CB-CD1 3.88Å; R937-I955 HydrophobicContact CB-CG1 4.38Å; R937-I955 HydrophobicContact CG-CD1 3.22Å; R937-I955 HydrophobicContact CG-CG1 4.09Å
938Y91.2Very high76.8Confident28 Ų2844 Ų4411%0.1122%0.22CC..EExtended strand (participates in β ladder)trans-98146.1168-61.9-83.8000110.3V18 W490 E535 W537 F924 S925 I950 F951 K952V18-Y938 HydrophobicContact CG2-CD1 4.41Å; V18-Y938 HydrophobicContact CG2-CE1 4.36Å; W490-Y938 HydrophobicContact CH2-CG 4.39Å; E535-Y938 PolarHBondContact OE1-OH 3.31Å; E535-Y938 WeakPolarHBondContact OE2-CE1 3.26Å; E535-Y938 PolarHBondContact OE2-OH 3.43Å; E535-Y938 VanDerWaalsContact OE2-OH 3.08Å; W537-Y938 HydrophobicContact CZ2-CD1 4.23Å; W537-Y938 HydrophobicContact CZ2-CE1 4.24Å; F924-Y938 CarbonylContact C-O 3.59Å; F924-Y938 VanDerWaalsContact CA-O 3.29Å; F924-Y938 WeakPolarHBondContact CA-O 3.4Å; S925-Y938 PolarHBondContact N-O 3.4Å; S925-Y938 PolarHBondContact OG-N 3.3Å; Y938-I950 HydrophobicContact CD1-CG2 3.93Å; Y938-I950 HydrophobicContact CG-CG2 4.44Å; Y938-F951 CarbonylContact C-O 3.59Å; Y938-F951 WeakPolarHBondContact CA-O 3Å; Y938-K952 HydrophobicContact CD1-CB 4.18Å; Y938-K952 HydrophobicContact CD1-CG 4.49Å; Y938-K952 HydrophobicContact CE1-CB 3.96Å; Y938-K952 HydrophobicContact CE1-CD 4.28Å; Y938-K952 HydrophobicContact CE1-CG 3.99Å
939L95.1Very high78.9Confident0 Ų041 Ų410%020%0.204CC..EExtended strand (participates in β ladder)trans-126.6115.3174.7177.767.5000107.9A876 F907 I922 F924 T941 I950 F951 I953A876-L939 HydrophobicContact CB-CD1 3.82Å; A876-L939 HydrophobicContact CB-CD2 4.03Å; F907-L939 HydrophobicContact CZ-CD2 4.43Å; I922-L939 HydrophobicContact CD1-CD1 4.15Å; I922-L939 HydrophobicContact CD1-CD2 4.27Å; I922-L939 HydrophobicContact CD1-CG 4.49Å; I922-L939 HydrophobicContact CG1-CD1 3.53Å; I922-L939 HydrophobicContact CG1-CG 4.2Å; F924-L939 HydrophobicContact CD1-CB 4.21Å; F924-L939 HydrophobicContact CD1-CD1 3.84Å; F924-L939 HydrophobicContact CD2-CD1 4.27Å; F924-L939 HydrophobicContact CE1-CB 4.25Å; F924-L939 HydrophobicContact CE1-CD1 3.84Å; F924-L939 HydrophobicContact CE1-CG 4.45Å; F924-L939 HydrophobicContact CE2-CD1 4.27Å; F924-L939 HydrophobicContact CG-CD1 4.07Å; F924-L939 HydrophobicContact CZ-CD1 4.06Å; L939-T941 HydrophobicContact CG-CG2 4.4Å; L939-I950 CarbonylContact O-C 3.56Å; L939-I950 WeakPolarHBondContact O-CA 3.49Å; L939-F951 HydrophobicContact CB-CB 4.3Å; L939-F951 HydrophobicContact CD2-CD2 4.49Å; L939-F951 PolarHBondContact N-O 3.49Å; L939-F951 PolarHBondContact O-N 3.27Å; L939-I953 HydrophobicContact CB-CD1 3.67Å; L939-I953 HydrophobicContact CB-CG1 4.48Å; L939-I953 HydrophobicContact CD2-CD1 3.82Å; L939-I953 HydrophobicContact CG-CD1 4.38Å
940A97.3Very high81.4Confident0 Ų035.5 Ų35.50%017%0.174CC..EExtended strand (participates in β ladder)trans-96.7138.5174.500000110.3L488 W490 V507 I922 S923 R949 I950L488-A940 HydrophobicContact CD1-CB 3.97Å; L488-A940 HydrophobicContact CD2-CB 4.29Å; W490-A940 HydrophobicContact CH2-CB 4.42Å; W490-A940 HydrophobicContact CZ2-CB 3.5Å; W490-A940 VanDerWaalsContact CZ2-CB 3.5Å; V507-A940 HydrophobicContact CG1-CB 4.49Å; V507-A940 HydrophobicContact CG2-CB 4.44Å; I922-A940 WeakPolarHBondContact CA-O 3.45Å; S923-A940 PolarHBondContact N-O 3.15Å; S923-A940 PolarHBondContact O-N 3.31Å; A940-R949 CarbonylContact C-O 3.58Å; A940-R949 VanDerWaalsContact CA-O 3.28Å; A940-R949 WeakPolarHBondContact CA-O 3.31Å; A940-I950 HydrophobicContact CB-CG1 4.4Å
941T98.1Very high84Confident0 Ų033.9 Ų33.90%016%0.163CC..EExtended strand (participates in β ladder)trans-130.9146.6175.570.30000111.5I884 H913 R921 I922 L939 V948 R949 F951I884-T941 HydrophobicContact CD1-CG2 3.81Å; H913-T941 WeakPolarHBondContact NE2-CB 3.28Å; H913-T941 PolarHBondContact NE2-OG1 2.75Å; R921-T941 WeakPolarHBondContact O-CA 3.13Å; I922-T941 HydrophobicContact CD1-CG2 3.86Å; I922-T941 HydrophobicContact CG1-CG2 3.9Å; L939-T941 HydrophobicContact CG-CG2 4.4Å; T941-V948 WeakPolarHBondContact O-CA 3.36Å; T941-R949 PolarHBondContact N-O 2.55Å; T941-R949 PolarHBondContact O-N 3.27Å; T941-F951 HydrophobicContact CG2-CD2 4.49Å; T941-F951 HydrophobicContact CG2-CE2 4.15Å
942S97.7Very high86.7Confident0 Ų030.1 Ų30.10%015%0.15CC..EExtended strand (participates in β ladder)trans-140.6150.7175.1810000111.7V485 R920 R921V485-S942 PolarHBondContact O-OG 3.09Å; R920-S942 PolarHBondContact N-O 3.07Å; R921-S942 PolarHBondContact N-O 3.38Å; R921-S942 PolarHBondContact O-N 2.88Å
943G96.7Very high89Confident0 Ų023.3 Ų23.30%011%0.114CC..EExtended strand (participates in β ladder)trans-148.5177.1-17300000115.8V485 R918 D945 G946V485-G943 PolarHBondContact N-O 3.49Å; R918-G943 WeakPolarHBondContact O-CA 3.28Å; G943-D945 PolarHBondContact O-N 3.15Å; G943-G946 PolarHBondContact O-N 3.49Å
944D97Very high90.9Very high34 Ų3417 Ų1718%0.1829%0.089CC..THydrogen-bonded Turntrans-66.6-9.9174-88.7-7.6000113.8K917 R918 R920 G946K917-D944 HydrophobicContact CB-CB 4.02Å; K917-D944 HydrophobicContact CD-CB 4.19Å; R918-D944 WeakPolarHBondContact CD-OD2 3.47Å; R918-D944 HydrophobicContact CG-CB 4.29Å; R918-D944 WeakPolarHBondContact CG-OD2 3.34Å; R918-D944 IonicContact NE-OD1 3.67Å; R918-D944 PolarHBondContact NE-OD1 3.24Å; R918-D944 IonicContact NE-OD2 3.71Å; R918-D944 PolarHBondContact NE-OD2 2.97Å; R918-D944 IonicContact NH2-OD1 3.12Å; R918-D944 PolarHBondContact O-N 3.08Å; R920-D944 IonicContact CZ-OD1 3.86Å; R920-D944 IonicContact NE-OD1 2.77Å; R920-D944 PolarHBondContact NE-OD1 3Å; R920-D944 IonicContact NH2-OD1 3.86Å; R920-D944 PolarHBondContact NH2-OD1 3.09Å; D944-G946 VanDerWaalsContact C-N 3.33Å
945D95.6Very high92Very high6 Ų614.9 Ų14.93%0.0328%0.075CC..THydrogen-bonded Turntrans-85.1-417758.3-4.8000113.8H913 V914 K917 G943 I947H913-D945 VanDerWaalsContact CA-OD2 3.26Å; H913-D945 WeakPolarHBondContact CA-OD2 3.49Å; H913-D945 WeakPolarHBondContact CB-OD2 3.5Å; H913-D945 IonicContact CE1-OD1 2.99Å; H913-D945 IonicContact CG-OD1 2.73Å; H913-D945 IonicContact CG-OD2 3.8Å; H913-D945 IonicContact ND1-OD1 2.91Å; H913-D945 PolarHBondContact ND1-OD1 3.16Å; H913-D945 IonicContact ND1-OD2 3.69Å; H913-D945 PolarHBondContact ND1-OD2 3.31Å; V914-D945 HydrophobicContact CB-CB 3.82Å; V914-D945 HydrophobicContact CG2-CB 3.58Å; V914-D945 PolarHBondContact N-OD2 2.62Å; K917-D945 HydrophobicContact CB-CB 4.15Å; K917-D945 HydrophobicContact CG-CB 4.16Å; G943-D945 PolarHBondContact O-N 3.15Å; D945-I947 HydrophobicContact CB-CD1 4.43Å; D945-I947 HydrophobicContact CB-CG1 4.16Å; D945-I947 PolarHBondContact O-N 2.81Å; D945-I947 PolarHBondContact OD1-N 2.83Å
946G95.6Very high92.2Very high0 Ų019.6 Ų19.60%09%0.09CC..SBendtrans79.24.3-178.200000114.9G483 G943 D944G483-G946 WeakPolarHBondContact O-CA 3.36Å; G943-G946 PolarHBondContact O-N 3.49Å; D944-G946 VanDerWaalsContact C-N 3.33Å
947I96.7Very high92Very high0 Ų020.8 Ų20.80%010%0.096CC..  trans-90138.4-176.2-53.4-171.6000109.5T20 V22 F55 H913 D945 R949T20-I947 HydrophobicContact CG2-CG2 4.09Å; V22-I947 HydrophobicContact CG1-CB 4.32Å; V22-I947 HydrophobicContact CG1-CD1 4.14Å; V22-I947 HydrophobicContact CG1-CG1 3.92Å; V22-I947 HydrophobicContact CG1-CG2 3.85Å; F55-I947 HydrophobicContact CD2-CD1 3.57Å; F55-I947 HydrophobicContact CE2-CD1 4.06Å; H913-I947 PolarHBondContact CE1-O 3.45Å; H913-I947 VanDerWaalsContact CE1-O 3.29Å; D945-I947 HydrophobicContact CB-CD1 4.43Å; D945-I947 HydrophobicContact CB-CG1 4.16Å; D945-I947 PolarHBondContact O-N 2.81Å; D945-I947 PolarHBondContact OD1-N 2.83Å; I947-R949 HydrophobicContact CG2-CG 3.81Å
948V97.7Very high91.5Very high0 Ų021 Ų210%010%0.1CC..EExtended strand (participates in β ladder)trans-116.6125.5166.8-177.40000108.3T20 S21 V485 T509 T941T20-V948 WeakPolarHBondContact CA-O 3.45Å; S21-V948 PolarHBondContact N-O 3.17Å; S21-V948 PolarHBondContact O-N 3.12Å; V485-V948 HydrophobicContact CB-CG2 4.46Å; V485-V948 HydrophobicContact CG1-CG2 4.14Å; V485-V948 HydrophobicContact CG2-CG2 3.9Å; T509-V948 HydrophobicContact CG2-CG1 3.97Å; T509-V948 HydrophobicContact CG2-CG2 3.88Å; T941-V948 WeakPolarHBondContact O-CA 3.36Å
949R96.3Very high91.5Very high5 Ų520.7 Ų20.72%0.01910%0.1CC..EExtended strand (participates in β ladder)trans-118.1145.7176.8-58.1-173.4-179.6-98.216.6111Y19 T20 T86 D910 W911 C912 A940 T941 I947 F951Y19-R949 WeakPolarHBondContact O-CA 3.21Å; T20-R949 PolarHBondContact OG1-NH1 3.31Å; T20-R949 VanDerWaalsContact OG1-NH1 3.15Å; T86-R949 PolarHBondContact OG1-NH2 2.9Å; D910-R949 PolarHBondContact O-NH2 3.29Å; W911-R949 VanDerWaalsContact O-CD 3.26Å; W911-R949 WeakPolarHBondContact O-CD 3.08Å; W911-R949 PolarHBondContact O-NE 2.92Å; C912-R949 PolarHBondContact O-NE 3.16Å; C912-R949 PolarHBondContact O-NH2 3.18Å; A940-R949 CarbonylContact C-O 3.58Å; A940-R949 VanDerWaalsContact CA-O 3.28Å; A940-R949 WeakPolarHBondContact CA-O 3.31Å; T941-R949 PolarHBondContact N-O 2.55Å; T941-R949 PolarHBondContact O-N 3.27Å; I947-R949 HydrophobicContact CG2-CG 3.81Å; R949-F951 HydrophobicContact CB-CD2 4.47Å; R949-F951 HydrophobicContact CB-CE2 3.67Å; R949-F951 HydrophobicContact CB-CZ 3.9Å; R949-F951 HydrophobicContact CG-CZ 4.47Å
950I94.8Very high91.4Very high0 Ų021.7 Ų21.70%011%0.105CC..EExtended strand (participates in β ladder)trans-123.9125.3169.7-54178000108.5V18 Y19 W490 V507 W537 Y938 L939 A940V18-I950 HydrophobicContact CG2-CB 4.21Å; V18-I950 HydrophobicContact CG2-CG2 3.96Å; V18-I950 VanDerWaalsContact CG2-O 3.29Å; V18-I950 WeakPolarHBondContact CG2-O 3.25Å; V18-I950 PolarHBondContact N-O 3.43Å; Y19-I950 HydrophobicContact CD1-CD1 3.74Å; Y19-I950 HydrophobicContact CD1-CG1 4.06Å; Y19-I950 PolarHBondContact N-O 3.22Å; Y19-I950 PolarHBondContact O-N 2.9Å; W490-I950 HydrophobicContact CH2-CG2 4.2Å; V507-I950 HydrophobicContact CG2-CD1 4.06Å; W537-I950 HydrophobicContact CD2-CD1 3.85Å; W537-I950 HydrophobicContact CE3-CD1 3.46Å; W537-I950 VanDerWaalsContact CE3-CD1 3.46Å; W537-I950 HydrophobicContact CH2-CD1 3.73Å; W537-I950 HydrophobicContact CZ2-CD1 4.08Å; W537-I950 HydrophobicContact CZ2-CG2 4.09Å; W537-I950 HydrophobicContact CZ3-CD1 3.4Å; W537-I950 VanDerWaalsContact CZ3-CD1 3.4Å; Y938-I950 HydrophobicContact CD1-CG2 3.93Å; Y938-I950 HydrophobicContact CG-CG2 4.44Å; L939-I950 CarbonylContact O-C 3.56Å; L939-I950 WeakPolarHBondContact O-CA 3.49Å; A940-I950 HydrophobicContact CB-CG1 4.4Å
951F93.1Very high91Very high0 Ų022.9 Ų22.90%011%0.111CC..EExtended strand (participates in β ladder)trans-107.2137.4175.4-56.8-86.5000110.1I15 R16 C17 I884 F907 W911 Y938 L939 T941 R949 I953I15-F951 HydrophobicContact CG2-CB 4.35Å; I15-F951 HydrophobicContact CG2-CD1 4.35Å; R16-F951 CarbonylContact O-C 3.59Å; R16-F951 VanDerWaalsContact O-CA 3.3Å; R16-F951 WeakPolarHBondContact O-CA 3.18Å; C17-F951 HydrophobicContact CB-CD1 3.8Å; C17-F951 HydrophobicContact CB-CE1 3.67Å; I884-F951 HydrophobicContact CD1-CE2 4.02Å; I884-F951 HydrophobicContact CD1-CZ 4.26Å; F907-F951 HydrophobicContact CD1-CD1 4.4Å; F907-F951 HydrophobicContact CD1-CE1 4Å; F907-F951 HydrophobicContact CD1-CZ 4.15Å; F907-F951 AromaticContact CE1-CD1 3.72Å; F907-F951 HydrophobicContact CE1-CD1 3.72Å; F907-F951 HydrophobicContact CE1-CD2 4.24Å; F907-F951 AromaticContact CE1-CE1 3.78Å; F907-F951 HydrophobicContact CE1-CE1 3.78Å; F907-F951 HydrophobicContact CE1-CE2 4.29Å; F907-F951 AromaticContact CE1-CG 3.96Å; F907-F951 HydrophobicContact CE1-CG 3.96Å; F907-F951 HydrophobicContact CE1-CZ 4.07Å; W911-F951 HydrophobicContact CB-CE1 3.95Å; W911-F951 HydrophobicContact CB-CZ 4.26Å; W911-F951 HydrophobicContact CD2-CE1 4.27Å; W911-F951 HydrophobicContact CE3-CD1 4.48Å; W911-F951 HydrophobicContact CE3-CE1 4.22Å; W911-F951 HydrophobicContact CG-CE1 4.19Å; W911-F951 WeakPolarHBondContact O-CZ 3.25Å; Y938-F951 CarbonylContact C-O 3.59Å; Y938-F951 WeakPolarHBondContact CA-O 3Å; L939-F951 HydrophobicContact CB-CB 4.3Å; L939-F951 HydrophobicContact CD2-CD2 4.49Å; L939-F951 PolarHBondContact N-O 3.49Å; L939-F951 PolarHBondContact O-N 3.27Å; T941-F951 HydrophobicContact CG2-CD2 4.49Å; T941-F951 HydrophobicContact CG2-CE2 4.15Å; R949-F951 HydrophobicContact CB-CD2 4.47Å; R949-F951 HydrophobicContact CB-CE2 3.67Å; R949-F951 HydrophobicContact CB-CZ 3.9Å; R949-F951 HydrophobicContact CG-CZ 4.47Å; F951-I953 HydrophobicContact CB-CG1 4.29Å
952K89.3Confident90.6Very high60 Ų6024.3 Ų24.326%0.26112%0.117SC..EExtended strand (participates in β ladder)trans-96.5121.6168-175.6177.6-178.3170.40108.3I15 R16 V18 E535 I936 Y938I15-K952 CarbonylContact C-O 3.44Å; I15-K952 VanDerWaalsContact CA-O 3.31Å; I15-K952 WeakPolarHBondContact CA-O 3.46Å; R16-K952 PolarHBondContact N-O 3.08Å; R16-K952 PolarHBondContact O-N 2.91Å; V18-K952 HydrophobicContact CG1-CB 3.63Å; V18-K952 HydrophobicContact CG1-CD 4.36Å; V18-K952 HydrophobicContact CG2-CB 4.35Å; E535-K952 WeakPolarHBondContact OE1-CE 3.38Å; E535-K952 IonicContact OE1-NZ 3.2Å; E535-K952 PolarHBondContact OE1-NZ 3.45Å; I936-K952 HydrophobicContact CG2-CD 4.24Å; I936-K952 HydrophobicContact CG2-CG 3.67Å; Y938-K952 HydrophobicContact CD1-CB 4.18Å; Y938-K952 HydrophobicContact CD1-CG 4.49Å; Y938-K952 HydrophobicContact CE1-CB 3.96Å; Y938-K952 HydrophobicContact CE1-CD 4.28Å; Y938-K952 HydrophobicContact CE1-CG 3.99Å
953I89.5Confident90.2Very high0 Ų025.8 Ų25.80%013%0.125CC..EExtended strand (participates in β ladder)trans-119.9119.7-171.2-59.5-175000108.7I15 F924 I936 R937 L939 F951 I955 L958I15-I953 HydrophobicContact CG1-CB 4.46Å; I15-I953 HydrophobicContact CG1-CG1 4.17Å; I15-I953 HydrophobicContact CG1-CG2 4.16Å; I15-I953 HydrophobicContact CG2-CG1 4.29Å; F924-I953 HydrophobicContact CE1-CD1 4.11Å; I936-I953 CarbonylContact C-O 3.56Å; I936-I953 VanDerWaalsContact CA-O 3.28Å; I936-I953 WeakPolarHBondContact CA-O 3.42Å; R937-I953 PolarHBondContact N-O 3.3Å; R937-I953 PolarHBondContact O-N 3.34Å; L939-I953 HydrophobicContact CB-CD1 3.67Å; L939-I953 HydrophobicContact CB-CG1 4.48Å; L939-I953 HydrophobicContact CD2-CD1 3.82Å; L939-I953 HydrophobicContact CG-CD1 4.38Å; F951-I953 HydrophobicContact CB-CG1 4.29Å; I953-I955 HydrophobicContact CG2-CG1 4.09Å; I953-I955 PolarHBondContact O-N 3.01Å; I953-L958 HydrophobicContact CG2-CD1 3.22Å
954N86.9Confident89.7Confident41 Ų4127.5 Ų27.522%0.21913%0.133CC..EExtended strand (participates in β ladder)trans-91.792.2171.7-170.6-25000109.8K14 A935 K956 L957 L958K14-N954 PolarHBondContact O-N 3.48Å; A935-N954 WeakPolarHBondContact CB-OD1 3.05Å; A935-N954 CarbonylContact O-C 3.58Å; A935-N954 WeakPolarHBondContact O-CA 3.3Å; N954-K956 PolarHBondContact O-N 3.42Å; N954-K956 PolarHBondContact OD1-N 2.75Å; N954-L957 HydrophobicContact CB-CB 4.37Å; N954-L957 HydrophobicContact CB-CD1 4.09Å; N954-L957 HydrophobicContact CB-CG 4.34Å; N954-L957 VanDerWaalsContact ND2-CD1 3.29Å; N954-L957 WeakPolarHBondContact ND2-CD1 3.46Å; N954-L957 PolarHBondContact O-N 2.87Å; N954-L957 VanDerWaalsContact O-N 3.1Å; N954-L957 PolarHBondContact OD1-N 2.73Å; N954-L958 PolarHBondContact O-N 3.49Å
955I82.6Confident89.2Confident9 Ų927.1 Ų27.15%0.04613%0.129CC..THydrogen-bonded Turntrans-61.6-26.6-176.5-55.5-171.8000112.1F862 L874 A935 R937 I953 L958F862-I955 HydrophobicContact CB-CG2 3.85Å; F862-I955 VanDerWaalsContact N-CG2 3.29Å; L874-I955 HydrophobicContact CD2-CD1 4.18Å; L874-I955 HydrophobicContact CD2-CG1 4.24Å; A935-I955 PolarHBondContact O-N 3.33Å; R937-I955 HydrophobicContact CB-CD1 3.88Å; R937-I955 HydrophobicContact CB-CG1 4.38Å; R937-I955 HydrophobicContact CG-CD1 3.22Å; R937-I955 HydrophobicContact CG-CG1 4.09Å; I953-I955 HydrophobicContact CG2-CG1 4.09Å; I953-I955 PolarHBondContact O-N 3.01Å; I955-L958 PolarHBondContact O-N 3.06Å; I955-L958 VanDerWaalsContact O-OXT 3.09Å
956K78.3Confident88.7Confident130 Ų13028.7 Ų28.757%0.56514%0.137SC*.THydrogen-bonded Turntrans-72.2-30.8177.4-179176.8179.5-176.30112.6F862 A935 N954F862-K956 HydrophobicContact CD1-CB 4.25Å; F862-K956 HydrophobicContact CD1-CG 3.98Å; F862-K956 HydrophobicContact CD2-CB 4.38Å; F862-K956 HydrophobicContact CE1-CD 4.33Å; F862-K956 HydrophobicContact CE1-CG 3.84Å; F862-K956 HydrophobicContact CE2-CD 4.44Å; F862-K956 HydrophobicContact CE2-CG 4.44Å; F862-K956 HydrophobicContact CG-CB 4.18Å; F862-K956 HydrophobicContact CG-CG 4.35Å; F862-K956 HydrophobicContact CZ-CD 4.12Å; F862-K956 HydrophobicContact CZ-CG 4.09Å; A935-K956 HydrophobicContact CB-CB 3.47Å; A935-K956 VanDerWaalsContact CB-CB 3.47Å; A935-K956 HydrophobicContact CB-CD 4.43Å; N954-K956 PolarHBondContact O-N 3.42Å; N954-K956 PolarHBondContact OD1-N 2.75Å
957L76.9Confident88.2Confident83 Ų8331.1 Ų31.144%0.43515%0.148SC..THydrogen-bonded Turntrans-85.3-13.7177.7-64.8176000112.7S13 K14 N954S13-L957 WeakPolarHBondContact O-CD1 3.21Å; K14-L957 WeakPolarHBondContact CD-O 3.08Å; K14-L957 WeakPolarHBondContact CE-O 3.31Å; K14-L957 HydrophobicContact CG-CB 3.77Å; K14-L957 PolarHBondContact NZ-O 3.43Å; N954-L957 HydrophobicContact CB-CB 4.37Å; N954-L957 HydrophobicContact CB-CD1 4.09Å; N954-L957 HydrophobicContact CB-CG 4.34Å; N954-L957 VanDerWaalsContact ND2-CD1 3.29Å; N954-L957 WeakPolarHBondContact ND2-CD1 3.46Å; N954-L957 PolarHBondContact O-N 2.87Å; N954-L957 VanDerWaalsContact O-N 3.1Å; N954-L957 PolarHBondContact OD1-N 2.73Å
958L75.9Confident87.4Confident45 Ų4533.9 Ų33.924%0.23616%0.162CC..  trans-87.90175.7-79.3154.5000111.3K14 I15 L886 V904 I953 N954 I955K14-L958 HydrophobicContact CB-CD2 4.4Å; K14-L958 HydrophobicContact CB-CG 4.21Å; K14-L958 HydrophobicContact CD-CD2 4.29Å; K14-L958 HydrophobicContact CD-CG 4.45Å; I15-L958 HydrophobicContact CD1-CD1 3.99Å; I15-L958 HydrophobicContact CD1-CD2 3.92Å; I15-L958 HydrophobicContact CG1-CD1 3.97Å; I15-L958 HydrophobicContact CG1-CD2 4.42Å; L886-L958 HydrophobicContact CD2-CD1 4.4Å; L886-L958 HydrophobicContact CD2-CD2 4.35Å; V904-L958 HydrophobicContact CG1-CD2 3.53Å; I953-L958 HydrophobicContact CG2-CD1 3.22Å; N954-L958 PolarHBondContact O-N 3.49Å; I955-L958 PolarHBondContact O-N 3.06Å; I955-L958 VanDerWaalsContact O-OXT 3.09Å

Retrieved 958 of 958 residues in 414 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).