A0A077Z7Q9_TRITR Loading...

Bardet Biedl syndrome 5 protein

AlphaFold DB , UniProt , Accession A0A077Z7Q9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 351 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
1M27.7Very low56Low240 Ų240118 Ų118100%1.18257%0.573SS**  01080-129.8166.1179.800107.9R3M1-R3 PolarHBondContact O-N 3.45Å
2N29.2Very low59.1Low151 Ų151108.3 Ų108.381%0.80753%0.526SS*.  trans-66.6103.6175.9-89.1-26.8000108.4R4N2-R4 PolarHBondContact O-N 3.29Å
3R45.2Very low61.7Low184 Ų184103.8 Ų103.869%0.69450%0.5SS*.G310 helixtrans-69.418.5-178.4-112.4-174-174.7-177.80.3114.5M1 D5 S6M1-R3 PolarHBondContact O-N 3.45Å; R3-D5 PolarHBondContact O-N 2.88Å; R3-S6 PolarHBondContact O-N 3.48Å; R3-S6 VanDerWaalsContact O-N 3.1Å
4R41.2Very low64.1Low213 Ų21397.9 Ų97.980%0.80447%0.472SS*.G310 helixtrans-57.9-18.2171.3-80.1-172.4-177176.10.4112.1N2N2-R4 PolarHBondContact O-N 3.29Å
5D38.6Very low66.2Low148 Ų14891.4 Ų91.479%0.79144%0.44SS*.G310 helixtrans-110.640.1175.3-54.8-43000113R3 P7R3-D5 PolarHBondContact O-N 2.88Å; D5-P7 WeakPolarHBondContact O-CD 3.37Å
6S46.6Very low67.9Low35 Ų3587.8 Ų87.825%0.24542%0.421CS..  trans-72.7120.4161.899.90000107.5R3 K8 Y9R3-S6 PolarHBondContact O-N 3.48Å; R3-S6 VanDerWaalsContact O-N 3.1Å; S6-K8 PolarHBondContact O-N 2.97Å; S6-Y9 PolarHBondContact O-N 3.29Å
7P59.9Low69.3Low110 Ų11083.8 Ų83.871%0.71440%0.402SS*.THydrogen-bonded Turntrans-65.1-5.2-176.525.9-34.3000113.4D5D5-P7 WeakPolarHBondContact O-CD 3.37Å
8K70.4Confident70.5Confident75 Ų7579.8 Ų79.833%0.32638%0.383SS..THydrogen-bonded Turntrans-77.6-34.1-176.8-166.5178.9179.3-168.30112.9S6 D111S6-K8 PolarHBondContact O-N 2.97Å; K8-D111 VanDerWaalsContact CE-OD1 3.28Å; K8-D111 WeakPolarHBondContact CE-OD1 3.28Å; K8-D111 IonicContact NZ-OD1 3.27Å; K8-D111 PolarHBondContact NZ-OD1 3.3Å; K8-D111 IonicContact NZ-OD2 3.43Å; K8-D111 PolarHBondContact NZ-OD2 2.97Å
9Y78.5Confident71.6Confident35 Ų3577.5 Ų77.514%0.13737%0.372CS..  trans-134.7102.2-174.8-52.6-63000110.8S6 W13 R16 D17 Q236S6-Y9 PolarHBondContact O-N 3.29Å; Y9-W13 HydrophobicContact CD2-CB 3.97Å; Y9-W13 HydrophobicContact CG-CB 4.15Å; Y9-R16 HydrophobicContact CD1-CB 4.19Å; Y9-R16 HydrophobicContact CE1-CB 3.62Å; Y9-R16 HydrophobicContact CE1-CG 4.35Å; Y9-D17 HydrophobicContact CE2-CB 3.76Å; Y9-Q236 HydrophobicContact CD1-CG 4.03Å; Y9-Q236 VanDerWaalsContact CD1-NE2 3.31Å
10D88.2Confident72.6Confident64 Ų6475 Ų7534%0.34236%0.359SS..SBendtrans-96.7-0.7-178.662.8-33.7000114.3S234 I235 Q236D10-S234 WeakPolarHBondContact OD1-CB 3.36Å; D10-S234 WeakPolarHBondContact OD2-CA 3.47Å; D10-S234 WeakPolarHBondContact OD2-CB 3.37Å; D10-I235 HydrophobicContact CB-CD1 4.38Å; D10-I235 VanDerWaalsContact CG-N 3.31Å; D10-I235 PolarHBondContact OD1-N 3.47Å; D10-I235 VanDerWaalsContact OD1-N 3.07Å; D10-I235 PolarHBondContact OD2-N 3.13Å; D10-Q236 WeakPolarHBondContact OD1-CG 3.29Å; D10-Q236 PolarHBondContact OD1-N 3.12Å
11V90.6Very high73.5Confident43 Ų4374.1 Ų74.126%0.26136%0.357SS..SBendtrans-130.8-55.6-175.4177.10000112.7R30 L213 Q236V11-R30 PolarHBondContact O-NH1 3.47Å; V11-L213 HydrophobicContact CG1-CD1 3.52Å; V11-L213 HydrophobicContact CG1-CG 3.71Å; V11-L213 WeakPolarHBondContact CG1-O 3.29Å; V11-Q236 VanDerWaalsContact CB-OE1 3.25Å
12I92.8Very high76.4Confident2 Ų263.4 Ų63.41%0.0130%0.304CS..  trans-150124.8-174-176170.2000109.9D15 R30 L60 Q236 F272I12-D15 HydrophobicContact CD1-CB 4.19Å; I12-D15 WeakPolarHBondContact CD1-OD1 3.42Å; I12-D15 VanDerWaalsContact CG1-OD1 3.25Å; I12-D15 WeakPolarHBondContact CG1-OD1 3.49Å; I12-R30 VanDerWaalsContact CB-NH1 3.3Å; I12-L60 HydrophobicContact CD1-CD1 4.01Å; I12-Q236 PolarHBondContact O-NE2 3.46Å; I12-Q236 PolarHBondContact O-OE1 3.05Å; I12-F272 HydrophobicContact CD1-CE1 4.04Å; I12-F272 HydrophobicContact CD1-CZ 4.43Å
13W93.4Very high79.3Confident50 Ų5060.3 Ų60.319%0.18929%0.288CS..  trans-110.6-25176.170.4-86000111.2Y9 D15 R16 D17 Q19 L22 L26 R61Y9-W13 HydrophobicContact CD2-CB 3.97Å; Y9-W13 HydrophobicContact CG-CB 4.15Å; W13-D15 VanDerWaalsContact C-N 3.3Å; W13-D15 PolarHBondContact O-N 3.4Å; W13-R16 PolarHBondContact O-N 3.26Å; W13-D17 HydrophobicContact CE3-CB 4.41Å; W13-D17 PolarHBondContact O-N 3.03Å; W13-Q19 HydrophobicContact CE3-CG 3.91Å; W13-Q19 HydrophobicContact CH2-CG 4.4Å; W13-Q19 HydrophobicContact CZ3-CB 4.09Å; W13-Q19 HydrophobicContact CZ3-CG 3.51Å; W13-L22 HydrophobicContact CH2-CD1 3.69Å; W13-L22 HydrophobicContact CH2-CD2 4Å; W13-L22 HydrophobicContact CZ3-CD1 4.24Å; W13-L22 HydrophobicContact CZ3-CD2 4.49Å; W13-L26 HydrophobicContact CZ2-CB 4.2Å; W13-L26 HydrophobicContact CZ2-CD2 4.46Å; W13-R61 VanDerWaalsContact CH2-NH1 3.29Å
14E95.4Very high81.3Confident21 Ų2154.1 Ų54.110%0.09827%0.272CS..THydrogen-bonded Turntrans-59.7-37.9-171.1-67.284.417400112.8R30 R61 G77E14-R30 WeakPolarHBondContact OE2-CD 3.39Å; E14-R30 IonicContact OE2-NH1 3.46Å; E14-R30 PolarHBondContact OE2-NH1 3.07Å; E14-R61 WeakPolarHBondContact O-CB 3.29Å; E14-G77 WeakPolarHBondContact O-CA 3.35Å
15D95.8Very high83.5Confident0 Ų051.3 Ų51.30%027%0.266CS..THydrogen-bonded Turntrans-88.2-14.1177.370.6-21.7000113.4I12 W13 L60 G77 F78 N79 Y140I12-D15 HydrophobicContact CD1-CB 4.19Å; I12-D15 WeakPolarHBondContact CD1-OD1 3.42Å; I12-D15 VanDerWaalsContact CG1-OD1 3.25Å; I12-D15 WeakPolarHBondContact CG1-OD1 3.49Å; W13-D15 VanDerWaalsContact C-N 3.3Å; W13-D15 PolarHBondContact O-N 3.4Å; D15-L60 HydrophobicContact CB-CB 4.16Å; D15-L60 HydrophobicContact CB-CD2 4.17Å; D15-G77 VanDerWaalsContact C-CA 3.48Å; D15-G77 CarbonylContact O-C 3.54Å; D15-G77 VanDerWaalsContact O-CA 3.28Å; D15-G77 WeakPolarHBondContact O-CA 3.35Å; D15-F78 PolarHBondContact O-N 3.49Å; D15-N79 WeakPolarHBondContact O-CA 3.45Å; D15-N79 WeakPolarHBondContact O-CB 3.42Å; D15-N79 PolarHBondContact O-N 2.96Å; D15-Y140 HydrophobicContact CB-CE2 3.94Å; D15-Y140 PolarHBondContact OD2-OH 3.43Å
16R93.3Very high86Confident34 Ų3447.2 Ų47.213%0.12824%0.244CC..THydrogen-bonded Turntrans-105.5-24-170.3-57-141.9-175.9-122.9-8.8115.1Y9 W13 N79 E148 H214 Q236Y9-R16 HydrophobicContact CD1-CB 4.19Å; Y9-R16 HydrophobicContact CE1-CB 3.62Å; Y9-R16 HydrophobicContact CE1-CG 4.35Å; W13-R16 PolarHBondContact O-N 3.26Å; R16-N79 PolarHBondContact NH1-ND2 3.46Å; R16-N79 VanDerWaalsContact NH1-ND2 3.18Å; R16-E148 IonicContact CZ-OE1 2.79Å; R16-E148 VanDerWaalsContact CZ-OE1 3.25Å; R16-E148 IonicContact NH1-OE1 2.81Å; R16-E148 PolarHBondContact NH1-OE1 3.37Å; R16-E148 IonicContact NH2-OE1 2.82Å; R16-E148 PolarHBondContact NH2-OE1 3.41Å; R16-E148 IonicContact NH2-OE2 3.73Å; R16-H214 PolarHBondContact NH2-NE2 2.88Å; R16-Q236 VanDerWaalsContact NE-NE2 3.12Å
17D91.1Very high88.1Confident20 Ų2046.4 Ų46.411%0.10724%0.237CC..  trans-120.5164.4-169-153.96.3000112.6Y9 W13 Q19 G77Y9-D17 HydrophobicContact CE2-CB 3.76Å; W13-D17 HydrophobicContact CE3-CB 4.41Å; W13-D17 PolarHBondContact O-N 3.03Å; D17-Q19 PolarHBondContact OD2-NE2 2.97Å; D17-G77 PolarHBondContact O-N 2.75Å
18I91.9Very high89.7Confident11 Ų1147.8 Ų47.86%0.05623%0.231CC..EExtended strand (participates in β ladder)trans-115.3120.2175.9-54.9168.4000106.7F20 S75 A80 T108 F115 F117I18-F20 HydrophobicContact CG2-CE2 3.67Å; I18-F20 HydrophobicContact CG2-CZ 3.84Å; I18-S75 CarbonylContact C-O 3.43Å; I18-S75 WeakPolarHBondContact CA-O 3.41Å; I18-A80 HydrophobicContact CD1-CB 4.18Å; I18-A80 HydrophobicContact CG1-CB 3.92Å; I18-T108 HydrophobicContact CD1-CG2 4.2Å; I18-T108 WeakPolarHBondContact CD1-OG1 3.37Å; I18-F115 HydrophobicContact CD1-CD2 3.68Å; I18-F115 HydrophobicContact CD1-CE2 4.3Å; I18-F115 HydrophobicContact CD1-CG 4.48Å; I18-F117 HydrophobicContact CG2-CE2 4.3Å; I18-F117 HydrophobicContact CG2-CZ 3.64Å
19Q91.3Very high90.9Very high36 Ų3646.5 Ų46.517%0.16823%0.228CC..EExtended strand (participates in β ladder)trans-127.6144.3-177.4-65.2-68.8-23.200110.9W13 D17 L22 L74 S75W13-Q19 HydrophobicContact CE3-CG 3.91Å; W13-Q19 HydrophobicContact CH2-CG 4.4Å; W13-Q19 HydrophobicContact CZ3-CB 4.09Å; W13-Q19 HydrophobicContact CZ3-CG 3.51Å; D17-Q19 PolarHBondContact OD2-NE2 2.97Å; Q19-L22 HydrophobicContact CB-CD1 3.87Å; Q19-L22 HydrophobicContact CB-CD2 3.62Å; Q19-L22 HydrophobicContact CB-CG 3.73Å; Q19-L22 HydrophobicContact CG-CD2 4.09Å; Q19-L74 WeakPolarHBondContact O-CA 3.46Å; Q19-S75 PolarHBondContact N-O 2.89Å; Q19-S75 PolarHBondContact O-N 3.49Å
20F90.7Very high91.6Very high28 Ų2847.1 Ų47.112%0.12323%0.23CC..EExtended strand (participates in β ladder)trans-119.1143.5-179-58.5-98.3000108.6I18 L22 N73 L74 F117 L307 Y310I18-F20 HydrophobicContact CG2-CE2 3.67Å; I18-F20 HydrophobicContact CG2-CZ 3.84Å; F20-L22 VanDerWaalsContact C-N 3.28Å; F20-L22 PolarHBondContact O-N 3.45Å; F20-N73 CarbonylContact C-O 3.55Å; F20-N73 WeakPolarHBondContact CA-O 3.45Å; F20-L74 HydrophobicContact CD1-CD2 3.14Å; F20-L74 HydrophobicContact CE1-CD2 3.4Å; F20-L74 HydrophobicContact CG-CD2 4.12Å; F20-F117 AromaticContact CE1-CE1 3.86Å; F20-F117 HydrophobicContact CE1-CE1 3.86Å; F20-F117 HydrophobicContact CE1-CZ 4.39Å; F20-F117 AromaticContact CZ-CE1 3.88Å; F20-F117 HydrophobicContact CZ-CE1 3.88Å; F20-F117 AromaticContact CZ-CZ 3.94Å; F20-F117 HydrophobicContact CZ-CZ 3.94Å; F20-L307 HydrophobicContact CD2-CD1 3.77Å; F20-L307 HydrophobicContact CE2-CD1 3.27Å; F20-L307 HydrophobicContact CZ-CD1 3.81Å; F20-Y310 HydrophobicContact CD1-CD2 4.14Å; F20-Y310 AromaticContact CD1-CE2 3.89Å; F20-Y310 HydrophobicContact CD1-CE2 3.89Å; F20-Y310 AromaticContact CE1-CD2 3.3Å; F20-Y310 HydrophobicContact CE1-CD2 3.3Å; F20-Y310 AromaticContact CE1-CE2 3.43Å; F20-Y310 HydrophobicContact CE1-CE2 3.43Å; F20-Y310 VanDerWaalsContact CE1-CE2 3.43Å; F20-Y310 AromaticContact CE1-CG 3.92Å; F20-Y310 HydrophobicContact CE1-CG 3.92Å; F20-Y310 HydrophobicContact CZ-CD2 4.01Å; F20-Y310 HydrophobicContact CZ-CG 4.35Å
21D90.9Very high91.8Very high57 Ų5749 Ų4931%0.30524%0.24SC..SBendtrans49.149.9174.4-52.6-27.4000112.2K71 I72 N73D21-K71 WeakPolarHBondContact CA-O 3.17Å; D21-K71 WeakPolarHBondContact CB-O 3.38Å; D21-I72 WeakPolarHBondContact OD1-CA 3.11Å; D21-N73 PolarHBondContact N-O 3.43Å; D21-N73 PolarHBondContact OD1-N 3.07Å
22L89.8Confident92Very high15 Ų1548 Ų488%0.07924%0.239CC..  trans-65146.4177.2-72.6167.8000110.7W13 Q19 F20 L26 L27 N73 S75W13-L22 HydrophobicContact CH2-CD1 3.69Å; W13-L22 HydrophobicContact CH2-CD2 4Å; W13-L22 HydrophobicContact CZ3-CD1 4.24Å; W13-L22 HydrophobicContact CZ3-CD2 4.49Å; Q19-L22 HydrophobicContact CB-CD1 3.87Å; Q19-L22 HydrophobicContact CB-CD2 3.62Å; Q19-L22 HydrophobicContact CB-CG 3.73Å; Q19-L22 HydrophobicContact CG-CD2 4.09Å; F20-L22 VanDerWaalsContact C-N 3.28Å; F20-L22 PolarHBondContact O-N 3.45Å; L22-L26 HydrophobicContact CB-CB 4.33Å; L22-L26 HydrophobicContact CD2-CB 4.07Å; L22-L26 HydrophobicContact CD2-CD1 3.77Å; L22-L27 HydrophobicContact CB-CD2 4.08Å; L22-L27 HydrophobicContact CB-CG 4.23Å; L22-L27 HydrophobicContact CD1-CD2 3.87Å; L22-N73 VanDerWaalsContact CB-OD1 3.29Å; L22-N73 WeakPolarHBondContact CB-OD1 3.29Å; L22-N73 PolarHBondContact N-ND2 2.87Å; L22-N73 PolarHBondContact N-OD1 3.34Å; L22-N73 PolarHBondContact O-ND2 2.95Å; L22-S75 VanDerWaalsContact CD1-CB 3.41Å
23D90Very high92.1Very high86 Ų8648.5 Ų48.546%0.4624%0.241SC..  trans-60.3141.3165.1-172.7-72.2000109.9K25 L26 L27D23-K25 PolarHBondContact O-N 2.83Å; D23-K25 VanDerWaalsContact OD1-CB 3.27Å; D23-K25 WeakPolarHBondContact OD1-CB 3.33Å; D23-K25 VanDerWaalsContact OD1-CG 3.27Å; D23-K25 WeakPolarHBondContact OD1-CG 3.15Å; D23-K25 PolarHBondContact OD1-N 3.06Å; D23-L26 WeakPolarHBondContact O-CB 3.39Å; D23-L26 PolarHBondContact O-N 3.44Å; D23-L27 PolarHBondContact O-N 2.98Å
24S86.2Confident92.2Very high53 Ų5348.5 Ų48.537%0.37124%0.242SC..THydrogen-bonded Turntrans-48.4-30.4176.765.60000114.3L26 L27S24-L26 VanDerWaalsContact C-N 3.31Å; S24-L26 PolarHBondContact O-N 3.26Å; S24-L27 PolarHBondContact O-N 3.11Å
25K88.5Confident92.2Very high154 Ų15449.7 Ų49.767%0.6725%0.249SC*.THydrogen-bonded Turntrans-66.1-31.2176.7-66.1169.9-174.51710112.6D23D23-K25 PolarHBondContact O-N 2.83Å; D23-K25 VanDerWaalsContact OD1-CB 3.27Å; D23-K25 WeakPolarHBondContact OD1-CB 3.33Å; D23-K25 VanDerWaalsContact OD1-CG 3.27Å; D23-K25 WeakPolarHBondContact OD1-CG 3.15Å; D23-K25 PolarHBondContact OD1-N 3.06Å
26L90.1Very high92.1Very high62 Ų6251 Ų5133%0.32526%0.257SS..THydrogen-bonded Turntrans-86.9-15.4180-63175.7000113W13 L22 D23 S24 K28 R61W13-L26 HydrophobicContact CZ2-CB 4.2Å; W13-L26 HydrophobicContact CZ2-CD2 4.46Å; L22-L26 HydrophobicContact CB-CB 4.33Å; L22-L26 HydrophobicContact CD2-CB 4.07Å; L22-L26 HydrophobicContact CD2-CD1 3.77Å; D23-L26 WeakPolarHBondContact O-CB 3.39Å; D23-L26 PolarHBondContact O-N 3.44Å; S24-L26 VanDerWaalsContact C-N 3.31Å; S24-L26 PolarHBondContact O-N 3.26Å; L26-K28 VanDerWaalsContact C-N 3.31Å; L26-R61 PolarHBondContact O-NH1 2.94Å; L26-R61 PolarHBondContact O-NH2 2.95Å
27L91Very high92Very high19 Ų1951.3 Ų51.310%0.09926%0.26CS..SBendtrans-79.9-13.4170.5-64.2177.4000112.8L22 D23 S24 I63 N73L22-L27 HydrophobicContact CB-CD2 4.08Å; L22-L27 HydrophobicContact CB-CG 4.23Å; L22-L27 HydrophobicContact CD1-CD2 3.87Å; D23-L27 PolarHBondContact O-N 2.98Å; S24-L27 PolarHBondContact O-N 3.11Å; L27-I63 HydrophobicContact CD2-CG2 3.8Å; L27-N73 HydrophobicContact CD1-CB 4.34Å
28K93.3Very high92.1Very high138 Ų13853.4 Ų53.460%0.627%0.268SS*.SBendtrans-64.1142.1172.6-67.9-172.9178.1-176.60109.9L26 R30 R61L26-K28 VanDerWaalsContact C-N 3.31Å; K28-R30 PolarHBondContact O-N 2.82Å; K28-R61 PolarHBondContact O-NH2 3.49Å
29L95.2Very high92Very high49 Ų4953 Ų5326%0.25727%0.266SS..PPolyproline II helixtrans-66.2132.1178.7-52.4176.9000109.6E33 I35 T58L29-E33 WeakPolarHBondContact CA-OE2 3.32Å; L29-E33 HydrophobicContact CB-CB 4.2Å; L29-E33 HydrophobicContact CB-CG 4.34Å; L29-E33 HydrophobicContact CD2-CG 4.04Å; L29-I35 HydrophobicContact CD1-CD1 4.12Å; L29-I35 HydrophobicContact CD1-CG1 3.84Å; L29-I35 HydrophobicContact CD2-CG1 4.24Å; L29-T58 HydrophobicContact CD2-CG2 3.74Å
30R93.4Very high92Very high47 Ų4756.5 Ų56.518%0.17728%0.282CS..PPolyproline II helixtrans-72.1166.5171.164.6179.8-100.3139.6-4.4111V11 I12 E14 K28 G32 E33 L60V11-R30 PolarHBondContact O-NH1 3.47Å; I12-R30 VanDerWaalsContact CB-NH1 3.3Å; E14-R30 WeakPolarHBondContact OE2-CD 3.39Å; E14-R30 IonicContact OE2-NH1 3.46Å; E14-R30 PolarHBondContact OE2-NH1 3.07Å; K28-R30 PolarHBondContact O-N 2.82Å; R30-G32 PolarHBondContact O-N 2.85Å; R30-E33 HydrophobicContact CG-CB 3.53Å; R30-E33 HydrophobicContact CG-CG 4.46Å; R30-E33 PolarHBondContact N-OE2 2.9Å; R30-E33 VanDerWaalsContact O-CB 3.3Å; R30-E33 WeakPolarHBondContact O-CB 3.41Å; R30-E33 PolarHBondContact O-N 3.01Å; R30-L60 HydrophobicContact CG-CD1 4.18Å
31N93.7Very high91.9Very high103 Ų10356.4 Ų56.455%0.55129%0.289SS*.THydrogen-bonded Turntrans-57.9132.3171.2-67.75.1000110.2E33 A268N31-E33 PolarHBondContact O-N 3.35Å; N31-A268 PolarHBondContact ND2-O 2.85Å
32G93.8Very high91.8Very high23 Ų2353.7 Ų53.724%0.23727%0.274CS..THydrogen-bonded Turntrans79.6-8.7-174.500000114.9R30 N59 P270 F272R30-G32 PolarHBondContact O-N 2.85Å; G32-N59 PolarHBondContact O-ND2 3.33Å; G32-P270 WeakPolarHBondContact CA-O 3.37Å; G32-F272 WeakPolarHBondContact O-CD2 3.35Å
33E95.7Very high91.9Very high12 Ų1254.1 Ų54.16%0.05628%0.276CS..  trans-85.2133.4170.9-170.2-176.3-173.400109.9L29 R30 N31 T58 N59 L60 R61L29-E33 WeakPolarHBondContact CA-OE2 3.32Å; L29-E33 HydrophobicContact CB-CB 4.2Å; L29-E33 HydrophobicContact CB-CG 4.34Å; L29-E33 HydrophobicContact CD2-CG 4.04Å; R30-E33 HydrophobicContact CG-CB 3.53Å; R30-E33 HydrophobicContact CG-CG 4.46Å; R30-E33 PolarHBondContact N-OE2 2.9Å; R30-E33 VanDerWaalsContact O-CB 3.3Å; R30-E33 WeakPolarHBondContact O-CB 3.41Å; R30-E33 PolarHBondContact O-N 3.01Å; N31-E33 PolarHBondContact O-N 3.35Å; E33-T58 HydrophobicContact CG-CG2 4.24Å; E33-T58 WeakPolarHBondContact OE1-CG2 3.28Å; E33-T58 PolarHBondContact OE1-OG1 3.42Å; E33-N59 WeakPolarHBondContact CA-OD1 3.48Å; E33-L60 HydrophobicContact CB-CD1 4.06Å; E33-L60 HydrophobicContact CG-CB 4.46Å; E33-L60 HydrophobicContact CG-CD1 4.15Å; E33-L60 HydrophobicContact CG-CG 4.43Å; E33-R61 WeakPolarHBondContact OE1-CG 3.46Å; E33-R61 IonicContact OE1-CZ 3.82Å; E33-R61 IonicContact OE1-NE 3.55Å; E33-R61 PolarHBondContact OE1-NE 3.12Å; E33-R61 IonicContact OE1-NH2 2.86Å; E33-R61 PolarHBondContact OE1-NH2 3.18Å; E33-R61 IonicContact OE2-CZ 2.69Å; E33-R61 IonicContact OE2-NE 2.68Å; E33-R61 IonicContact OE2-NH2 3.23Å; E33-R61 PolarHBondContact OE2-NH2 3.04Å; E33-R61 VanDerWaalsContact OE2-NH2 3.11Å
34F94.9Very high91.9Very high50 Ų5050 Ų5022%0.21925%0.254CS..  trans-140.3150.8178.261.3-92000111.2V36 T58 N59F34-V36 HydrophobicContact CD2-CG2 4.29Å; F34-V36 HydrophobicContact CE2-CG2 3.92Å; F34-T58 CarbonylContact O-C 3.57Å; F34-T58 WeakPolarHBondContact O-CA 3.23Å; F34-T58 WeakPolarHBondContact O-CB 3.43Å; F34-N59 HydrophobicContact CD1-CB 4.18Å; F34-N59 HydrophobicContact CE1-CB 3.75Å; F34-N59 VanDerWaalsContact CE1-ND2 3.29Å; F34-N59 WeakPolarHBondContact CE1-ND2 3.24Å; F34-N59 HydrophobicContact CE2-CB 4.11Å; F34-N59 HydrophobicContact CZ-CB 3.71Å; F34-N59 PolarHBondContact N-OD1 3.38Å; F34-N59 PolarHBondContact O-N 2.83Å; F34-N59 PolarHBondContact O-OD1 3.13Å
35I95.1Very high91.9Very high47 Ų4749.8 Ų49.824%0.24125%0.251CS..EExtended strand (participates in β ladder)trans-75.2128.4175.7-64.2168.5000108.6L29 K38 V56L29-I35 HydrophobicContact CD1-CD1 4.12Å; L29-I35 HydrophobicContact CD1-CG1 3.84Å; L29-I35 HydrophobicContact CD2-CG1 4.24Å; I35-K38 HydrophobicContact CG2-CB 4.33Å; I35-V56 HydrophobicContact CD1-CG1 4.05Å; I35-V56 HydrophobicContact CG1-CG1 3.81Å; I35-V56 HydrophobicContact CG2-CG1 4.09Å
36V93.8Very high91.7Very high28 Ų2845 Ų4517%0.1723%0.23CC..EExtended strand (participates in β ladder)trans-90.3-49.1171.2177.40000109.5F34 I57 V136 I276F34-V36 HydrophobicContact CD2-CG2 4.29Å; F34-V36 HydrophobicContact CE2-CG2 3.92Å; V36-I57 HydrophobicContact CB-CG2 4.45Å; V36-I57 PolarHBondContact N-O 2.87Å; V36-V136 HydrophobicContact CB-CG2 4.06Å; V36-V136 HydrophobicContact CG1-CG2 3.71Å; V36-V136 HydrophobicContact CG2-CG2 3.89Å; V36-I276 HydrophobicContact CG1-CB 4.49Å; V36-I276 HydrophobicContact CG1-CG2 3.83Å; V36-I276 HydrophobicContact CG2-CG1 4.47Å
37E91.8Very high91Very high40 Ų4043.7 Ų43.719%0.18723%0.231CC..EExtended strand (participates in β ladder)trans-149.6149.3179.1-167168.616800110.7I57 L129 S132E37-I57 HydrophobicContact CB-CD1 4.35Å; E37-I57 PolarHBondContact N-O 2.8Å; E37-I57 PolarHBondContact O-N 2.82Å; E37-L129 HydrophobicContact CB-CD1 4.24Å; E37-L129 HydrophobicContact CG-CD1 3.78Å; E37-L129 VanDerWaalsContact OE1-CA 3.26Å; E37-L129 WeakPolarHBondContact OE1-CA 3.39Å; E37-L129 PolarHBondContact OE1-N 3.41Å; E37-S132 WeakPolarHBondContact OE2-CB 3.4Å; E37-S132 PolarHBondContact OE2-OG 2.93Å
38K92.1Very high90.5Very high63 Ų6343.3 Ų43.327%0.27423%0.23SC..EExtended strand (participates in β ladder)trans-135.2130.6176.3174.9175.9-179.5-168.20108.3I35 T54 L55 V56 Y285I35-K38 HydrophobicContact CG2-CB 4.33Å; K38-T54 HydrophobicContact CD-CG2 4.4Å; K38-T54 HydrophobicContact CG-CG2 3.86Å; K38-L55 WeakPolarHBondContact CA-O 3.47Å; K38-V56 HydrophobicContact CD-CG2 4.42Å; K38-V56 HydrophobicContact CG-CG2 4.13Å; K38-Y285 PolarHBondContact NZ-O 3.36Å
39S90.9Very high89.7Confident3 Ų341.2 Ų41.22%0.02123%0.232CC..EExtended strand (participates in β ladder)trans-135.6138179.1-179.30000111.7T54 L55 N126 L129S39-T54 CarbonylContact O-C 3.53Å; S39-T54 WeakPolarHBondContact O-CA 3.36Å; S39-T54 WeakPolarHBondContact O-CG2 3.41Å; S39-L55 PolarHBondContact N-O 2.82Å; S39-L55 PolarHBondContact O-N 3.05Å; S39-N126 PolarHBondContact OG-ND2 3.41Å; S39-N126 PolarHBondContact OG-OD1 2.8Å; S39-L129 VanDerWaalsContact CB-CD2 3.44Å
40H90.1Very high88.9Confident110 Ų11041.9 Ų41.951%0.50925%0.25SC..EExtended strand (participates in β ladder)trans-98.8153.4179.3-63-75.9000111.1T54H40-T54 PolarHBondContact ND1-OG1 3.39Å; H40-T54 VanDerWaalsContact ND1-OG1 3.1Å
41G88.7Confident88.4Confident25 Ų2543 Ų4326%0.25826%0.257SS..EExtended strand (participates in β ladder)trans78.324177.700000113.3G53G41-G53 PolarHBondContact N-O 3.04Å
42V90.6Very high88.1Confident0 Ų044.8 Ų44.80%026%0.26CS..EExtended strand (participates in β ladder)trans-89.8124173.2-171.90000108.6G53 L55 W64 F119 T121 L129V42-G53 PolarHBondContact N-O 3.1Å; V42-G53 CarbonylContact O-C 3.5Å; V42-G53 VanDerWaalsContact O-CA 3.29Å; V42-G53 WeakPolarHBondContact O-CA 3.49Å; V42-G53 PolarHBondContact O-N 2.97Å; V42-L55 HydrophobicContact CB-CB 3.94Å; V42-L55 HydrophobicContact CG1-CB 4.07Å; V42-L55 HydrophobicContact CG1-CD2 4.36Å; V42-L55 HydrophobicContact CG2-CB 3.74Å; V42-W64 PolarHBondContact O-NE1 3.05Å; V42-F119 HydrophobicContact CG1-CB 3.81Å; V42-F119 HydrophobicContact CG1-CD1 4.47Å; V42-T121 HydrophobicContact CB-CG2 4.21Å; V42-T121 HydrophobicContact CG1-CG2 3.99Å; V42-T121 HydrophobicContact CG2-CG2 3.73Å; V42-L129 HydrophobicContact CG2-CD2 3.89Å
43E90.7Very high88Confident24 Ų2443.7 Ų43.711%0.11225%0.249CC..EExtended strand (participates in β ladder)trans-91139.7178-176.2176.5154.400110.5G50 F119 S120 F122E43-G50 PolarHBondContact OE1-N 3.25Å; E43-F119 CarbonylContact O-C 3.51Å; E43-F119 VanDerWaalsContact O-CA 3.24Å; E43-F119 WeakPolarHBondContact O-CA 3.31Å; E43-S120 PolarHBondContact N-O 2.9Å; E43-S120 PolarHBondContact O-N 3.39Å; E43-F122 WeakPolarHBondContact OE2-CE2 3.5Å
44D90.8Very high87.9Confident0 Ų043.2 Ų43.20%025%0.247CC..EExtended strand (participates in β ladder)trans-89.899.6162.8163.534000108.9K46 G47 S48 C49 W64 F119 Y310D44-K46 PolarHBondContact O-N 2.94Å; D44-K46 PolarHBondContact OD1-N 2.95Å; D44-G47 PolarHBondContact OD1-N 3.33Å; D44-G47 WeakPolarHBondContact OD2-CA 3.38Å; D44-G47 PolarHBondContact OD2-N 3.08Å; D44-S48 CarbonylContact O-C 3.51Å; D44-S48 WeakPolarHBondContact O-CA 3.32Å; D44-S48 PolarHBondContact O-N 3.32Å; D44-S48 VanDerWaalsContact O-N 3.08Å; D44-S48 PolarHBondContact OD2-N 2.93Å; D44-S48 VanDerWaalsContact OD2-N 3.1Å; D44-S48 PolarHBondContact OD2-OG 2.79Å; D44-C49 PolarHBondContact O-N 2.78Å; D44-C49 VanDerWaalsContact O-N 3.14Å; D44-W64 HydrophobicContact CB-CD2 4.07Å; D44-W64 HydrophobicContact CB-CE3 4.23Å; D44-W64 HydrophobicContact CB-CH2 3.9Å; D44-W64 HydrophobicContact CB-CZ2 3.73Å; D44-W64 HydrophobicContact CB-CZ3 4.14Å; D44-F119 HydrophobicContact CB-CD1 4.25Å; D44-F119 HydrophobicContact CB-CE1 4.13Å; D44-Y310 PolarHBondContact OD2-OH 2.82Å
45T86.3Confident87.9Confident49 Ų4940.8 Ų40.830%0.30124%0.236SC..THydrogen-bonded Turntrans-71.6-19.8-171.8-46.40000112.4I118 S120T45-I118 PolarHBondContact N-O 3.46Å; T45-S120 WeakPolarHBondContact OG1-CB 3.23Å; T45-S120 PolarHBondContact OG1-OG 2.92Å
46K83.3Confident87.9Confident54 Ų5438.8 Ų38.824%0.23523%0.226CC..THydrogen-bonded Turntrans-93.5-49.3-173.8-154.1177.2-177.3172.30112.6D44 E116 A309 Y310 F311D44-K46 PolarHBondContact O-N 2.94Å; D44-K46 PolarHBondContact OD1-N 2.95Å; K46-E116 WeakPolarHBondContact CD-O 3.26Å; K46-E116 IonicContact NZ-OE2 3.74Å; K46-E116 PolarHBondContact NZ-OE2 2.99Å; K46-A309 WeakPolarHBondContact CD-O 3.38Å; K46-A309 WeakPolarHBondContact CE-O 3.41Å; K46-A309 WeakPolarHBondContact CG-O 3.4Å; K46-Y310 HydrophobicContact CB-CD1 4.35Å; K46-Y310 HydrophobicContact CB-CE1 4.41Å; K46-F311 PolarHBondContact NZ-O 2.83Å
47G76.2Confident88Confident33 Ų3337.4 Ų37.434%0.3422%0.218SC..THydrogen-bonded Turntrans-98.1-26.3-178.900000114.8D44 Y310D44-G47 PolarHBondContact OD1-N 3.33Å; D44-G47 WeakPolarHBondContact OD2-CA 3.38Å; D44-G47 PolarHBondContact OD2-N 3.08Å; G47-Y310 WeakPolarHBondContact CA-OH 3.44Å
48S79.5Confident88.2Confident12 Ų1235.5 Ų35.58%0.08421%0.209CC..SBendtrans-133.944.1-172.4-53.80000112.6D44 G50 Q51D44-S48 CarbonylContact O-C 3.51Å; D44-S48 WeakPolarHBondContact O-CA 3.32Å; D44-S48 PolarHBondContact O-N 3.32Å; D44-S48 VanDerWaalsContact O-N 3.08Å; D44-S48 PolarHBondContact OD2-N 2.93Å; D44-S48 VanDerWaalsContact OD2-N 3.1Å; D44-S48 PolarHBondContact OD2-OG 2.79Å; S48-G50 PolarHBondContact O-N 2.93Å; S48-Q51 WeakPolarHBondContact O-CB 3.23Å; S48-Q51 PolarHBondContact O-N 3.31Å
49C77.2Confident88.4Confident94 Ų9432.7 Ų32.764%0.63520%0.197SC*.THydrogen-bonded Turntrans-53.2133.3-178.2-171.90000111.6D44 Q51D44-C49 PolarHBondContact O-N 2.78Å; D44-C49 VanDerWaalsContact O-N 3.14Å; C49-Q51 VanDerWaalsContact C-N 3.33Å
50G77.7Confident88.7Confident62 Ų6232.5 Ų32.564%0.63920%0.196SC*.THydrogen-bonded Turntrans84-7.3-17500000115.3E43 S48E43-G50 PolarHBondContact OE1-N 3.25Å; S48-G50 PolarHBondContact O-N 2.93Å
51Q84.1Confident89.1Confident71 Ų7127.3 Ų27.333%0.33217%0.171SC..  trans-98.8122.9179.3-59.1-168.310.800112.3S48 C49S48-Q51 WeakPolarHBondContact O-CB 3.23Å; S48-Q51 PolarHBondContact O-N 3.31Å; C49-Q51 VanDerWaalsContact C-N 3.33Å
52K87.3Confident89.5Confident140 Ų14026.1 Ų26.161%0.60916%0.159SC*.EExtended strand (participates in β ladder)trans-72.5135.8170.6-68.2-175.8-178.81790110.3H67K52-H67 WeakPolarHBondContact O-CB 3.42Å; K52-H67 PolarHBondContact O-N 3.35Å
53G92.3Very high89.8Confident0 Ų026.5 Ų26.50%016%0.161CC..EExtended strand (participates in β ladder)trans-132.6-175.9174.300000112.8G41 V42 F65 H67G41-G53 PolarHBondContact N-O 3.04Å; V42-G53 PolarHBondContact N-O 3.1Å; V42-G53 CarbonylContact O-C 3.5Å; V42-G53 VanDerWaalsContact O-CA 3.29Å; V42-G53 WeakPolarHBondContact O-CA 3.49Å; V42-G53 PolarHBondContact O-N 2.97Å; G53-F65 CarbonylContact C-O 2.96Å; G53-F65 WeakPolarHBondContact CA-O 3.46Å; G53-H67 PolarHBondContact O-CE1 2.95Å; G53-H67 PolarHBondContact O-NE2 3.43Å; G53-H67 VanDerWaalsContact O-NE2 3.13Å
54T93.3Very high90Very high2 Ų225.4 Ų25.41%0.01216%0.156CC..EExtended strand (participates in β ladder)trans-112.4128.4170.6-55.60000108.3K38 S39 H40 V56 W64 F65 H67K38-T54 HydrophobicContact CD-CG2 4.4Å; K38-T54 HydrophobicContact CG-CG2 3.86Å; S39-T54 CarbonylContact O-C 3.53Å; S39-T54 WeakPolarHBondContact O-CA 3.36Å; S39-T54 WeakPolarHBondContact O-CG2 3.41Å; H40-T54 PolarHBondContact ND1-OG1 3.39Å; H40-T54 VanDerWaalsContact ND1-OG1 3.1Å; T54-V56 HydrophobicContact CG2-CG2 4.04Å; T54-W64 WeakPolarHBondContact O-CA 3.31Å; T54-F65 VanDerWaalsContact CB-CZ 3.43Å; T54-F65 HydrophobicContact CG2-CE1 4.08Å; T54-F65 HydrophobicContact CG2-CE2 4.45Å; T54-F65 HydrophobicContact CG2-CZ 3.77Å; T54-F65 PolarHBondContact N-O 3.24Å; T54-F65 PolarHBondContact O-N 3.1Å; T54-F65 VanDerWaalsContact O-N 3.14Å; T54-H67 PolarHBondContact N-NE2 3.14Å; T54-H67 PolarHBondContact OG1-CD2 3.36Å; T54-H67 PolarHBondContact OG1-NE2 3.48Å
55L94.3Very high90.2Very high0 Ų026.2 Ų26.20%016%0.16CC..EExtended strand (participates in β ladder)trans-97.5126.8169.5-164.273000108.7K38 S39 V42 I62 I63 W64 F119 L129 F130K38-L55 WeakPolarHBondContact CA-O 3.47Å; S39-L55 PolarHBondContact N-O 2.82Å; S39-L55 PolarHBondContact O-N 3.05Å; V42-L55 HydrophobicContact CB-CB 3.94Å; V42-L55 HydrophobicContact CG1-CB 4.07Å; V42-L55 HydrophobicContact CG1-CD2 4.36Å; V42-L55 HydrophobicContact CG2-CB 3.74Å; L55-I62 HydrophobicContact CD1-CG2 3.55Å; L55-I62 HydrophobicContact CG-CG2 4.15Å; L55-I63 CarbonylContact C-O 3.59Å; L55-W64 HydrophobicContact CD1-CB 3.88Å; L55-W64 HydrophobicContact CD1-CG 4.35Å; L55-F119 HydrophobicContact CD1-CD1 4.03Å; L55-F119 HydrophobicContact CD1-CD2 4.17Å; L55-F119 HydrophobicContact CD1-CE1 4.05Å; L55-F119 HydrophobicContact CD1-CE2 4.17Å; L55-F119 HydrophobicContact CD1-CG 4.08Å; L55-F119 HydrophobicContact CD1-CZ 4.11Å; L55-L129 HydrophobicContact CB-CD2 4.43Å; L55-L129 HydrophobicContact CD2-CD2 3.89Å; L55-L129 HydrophobicContact CD2-CG 4.34Å; L55-F130 HydrophobicContact CD2-CE1 4.2Å
56V95.1Very high90.5Very high4 Ų423.9 Ų23.92%0.02415%0.145CC..EExtended strand (participates in β ladder)trans-118.3121.8176.3-175.40000107.9I35 K38 T54 T58 I63 F65I35-V56 HydrophobicContact CD1-CG1 4.05Å; I35-V56 HydrophobicContact CG1-CG1 3.81Å; I35-V56 HydrophobicContact CG2-CG1 4.09Å; K38-V56 HydrophobicContact CD-CG2 4.42Å; K38-V56 HydrophobicContact CG-CG2 4.13Å; T54-V56 HydrophobicContact CG2-CG2 4.04Å; V56-T58 HydrophobicContact CG1-CG2 4.27Å; V56-I63 HydrophobicContact CB-CB 4.25Å; V56-I63 PolarHBondContact N-O 2.75Å; V56-I63 PolarHBondContact O-N 2.9Å; V56-F65 HydrophobicContact CG2-CE1 3.92Å
57I95.8Very high90.9Very high0 Ų025.7 Ų25.70%015%0.154CC..EExtended strand (participates in β ladder)trans-101.1117.4174.7-53.8171.1000106.8V36 E37 F78 L129 V133 V136V36-I57 HydrophobicContact CB-CG2 4.45Å; V36-I57 PolarHBondContact N-O 2.87Å; E37-I57 HydrophobicContact CB-CD1 4.35Å; E37-I57 PolarHBondContact N-O 2.8Å; E37-I57 PolarHBondContact O-N 2.82Å; I57-F78 HydrophobicContact CG2-CZ 4.21Å; I57-L129 HydrophobicContact CD1-CD1 3.5Å; I57-L129 HydrophobicContact CD1-CG 4.13Å; I57-L129 WeakPolarHBondContact CD1-O 3.19Å; I57-L129 HydrophobicContact CG1-CD1 4.18Å; I57-V133 HydrophobicContact CD1-CB 4.21Å; I57-V133 HydrophobicContact CD1-CG2 3.16Å; I57-V133 HydrophobicContact CG1-CG2 3.85Å; I57-V136 HydrophobicContact CG2-CB 4.35Å; I57-V136 HydrophobicContact CG2-CG1 4.48Å; I57-V136 HydrophobicContact CG2-CG2 4.03Å
58T96.3Very high91.5Very high0 Ų028.4 Ų28.40%017%0.174CC..EExtended strand (participates in β ladder)trans-100.6-179.4171.171.90000109.5L29 E33 F34 V56 L60 R61 I63 F78 V136L29-T58 HydrophobicContact CD2-CG2 3.74Å; E33-T58 HydrophobicContact CG-CG2 4.24Å; E33-T58 WeakPolarHBondContact OE1-CG2 3.28Å; E33-T58 PolarHBondContact OE1-OG1 3.42Å; F34-T58 CarbonylContact O-C 3.57Å; F34-T58 WeakPolarHBondContact O-CA 3.23Å; F34-T58 WeakPolarHBondContact O-CB 3.43Å; V56-T58 HydrophobicContact CG1-CG2 4.27Å; T58-L60 VanDerWaalsContact C-N 3.25Å; T58-L60 PolarHBondContact O-N 2.6Å; T58-L60 PolarHBondContact OG1-N 2.9Å; T58-L60 VanDerWaalsContact OG1-N 3.15Å; T58-R61 PolarHBondContact N-O 2.79Å; T58-R61 WeakPolarHBondContact OG1-CG 3.34Å; T58-R61 PolarHBondContact OG1-N 2.86Å; T58-R61 PolarHBondContact OG1-O 2.81Å; T58-I63 HydrophobicContact CG2-CD1 4.22Å; T58-F78 WeakPolarHBondContact O-CE2 3.42Å; T58-V136 WeakPolarHBondContact O-CG1 3.15Å
59N96.3Very high91.9Very high3 Ų330.3 Ų30.32%0.01619%0.185CC..SBendtrans-73.7-10.9170.264.3-38.1000114.4G32 E33 F34 V274G32-N59 PolarHBondContact O-ND2 3.33Å; E33-N59 WeakPolarHBondContact CA-OD1 3.48Å; F34-N59 HydrophobicContact CD1-CB 4.18Å; F34-N59 HydrophobicContact CE1-CB 3.75Å; F34-N59 VanDerWaalsContact CE1-ND2 3.29Å; F34-N59 WeakPolarHBondContact CE1-ND2 3.24Å; F34-N59 HydrophobicContact CE2-CB 4.11Å; F34-N59 HydrophobicContact CZ-CB 3.71Å; F34-N59 PolarHBondContact N-OD1 3.38Å; F34-N59 PolarHBondContact O-N 2.83Å; F34-N59 PolarHBondContact O-OD1 3.13Å; N59-V274 HydrophobicContact CB-CB 4.04Å; N59-V274 HydrophobicContact CB-CG1 4.06Å
60L97.2Very high92.3Very high0 Ų029 Ų290%018%0.175CC..SBendtrans-119.9-29.5-174.4-67.5-179.4000114.5I12 D15 R30 E33 T58 F78 Y140 F272I12-L60 HydrophobicContact CD1-CD1 4.01Å; D15-L60 HydrophobicContact CB-CB 4.16Å; D15-L60 HydrophobicContact CB-CD2 4.17Å; R30-L60 HydrophobicContact CG-CD1 4.18Å; E33-L60 HydrophobicContact CB-CD1 4.06Å; E33-L60 HydrophobicContact CG-CB 4.46Å; E33-L60 HydrophobicContact CG-CD1 4.15Å; E33-L60 HydrophobicContact CG-CG 4.43Å; T58-L60 VanDerWaalsContact C-N 3.25Å; T58-L60 PolarHBondContact O-N 2.6Å; T58-L60 PolarHBondContact OG1-N 2.9Å; T58-L60 VanDerWaalsContact OG1-N 3.15Å; L60-F78 WeakPolarHBondContact O-CD2 3.4Å; L60-F78 PolarHBondContact O-N 2.85Å; L60-Y140 HydrophobicContact CD2-CE2 4.15Å; L60-F272 HydrophobicContact CD1-CD2 3.85Å; L60-F272 HydrophobicContact CD1-CE2 3.71Å; L60-F272 HydrophobicContact CD1-CG 4.43Å; L60-F272 HydrophobicContact CD1-CZ 4.22Å; L60-F272 HydrophobicContact CD2-CB 3.94Å; L60-F272 HydrophobicContact CD2-CD1 4.29Å; L60-F272 HydrophobicContact CD2-CD2 3.83Å; L60-F272 HydrophobicContact CD2-CE2 4.49Å; L60-F272 HydrophobicContact CD2-CG 3.75Å; L60-F272 HydrophobicContact CG-CD2 4.1Å; L60-F272 HydrophobicContact CG-CE2 4.46Å
61R97.3Very high92.7Very high0 Ų031.9 Ų31.90%017%0.17CC..EExtended strand (participates in β ladder)trans-153.5160-173.753.9174.1170.2179.6-0.6113.1W13 E14 L26 K28 E33 T58 I63 S75 I76W13-R61 VanDerWaalsContact CH2-NH1 3.29Å; E14-R61 WeakPolarHBondContact O-CB 3.29Å; L26-R61 PolarHBondContact O-NH1 2.94Å; L26-R61 PolarHBondContact O-NH2 2.95Å; K28-R61 PolarHBondContact O-NH2 3.49Å; E33-R61 WeakPolarHBondContact OE1-CG 3.46Å; E33-R61 IonicContact OE1-CZ 3.82Å; E33-R61 IonicContact OE1-NE 3.55Å; E33-R61 PolarHBondContact OE1-NE 3.12Å; E33-R61 IonicContact OE1-NH2 2.86Å; E33-R61 PolarHBondContact OE1-NH2 3.18Å; E33-R61 IonicContact OE2-CZ 2.69Å; E33-R61 IonicContact OE2-NE 2.68Å; E33-R61 IonicContact OE2-NH2 3.23Å; E33-R61 PolarHBondContact OE2-NH2 3.04Å; E33-R61 VanDerWaalsContact OE2-NH2 3.11Å; T58-R61 PolarHBondContact N-O 2.79Å; T58-R61 WeakPolarHBondContact OG1-CG 3.34Å; T58-R61 PolarHBondContact OG1-N 2.86Å; T58-R61 PolarHBondContact OG1-O 2.81Å; R61-I63 HydrophobicContact CG-CD1 4.39Å; R61-I63 HydrophobicContact CG-CG1 4.11Å; R61-S75 WeakPolarHBondContact CD-OG 3.48Å; R61-S75 PolarHBondContact NH1-OG 2.96Å; R61-I76 CarbonylContact C-O 3.58Å; R61-I76 WeakPolarHBondContact CA-O 3.31Å; R61-I76 VanDerWaalsContact CB-O 3.24Å; R61-I76 WeakPolarHBondContact CB-O 3.31Å
62I97.7Very high93Very high1 Ų131.1 Ų31.11%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-94.7129.4166.1-54.8171.8000107.5L55 S75 I76 F78 V106 F119 V133L55-I62 HydrophobicContact CD1-CG2 3.55Å; L55-I62 HydrophobicContact CG-CG2 4.15Å; I62-S75 CarbonylContact O-C 3.59Å; I62-S75 WeakPolarHBondContact O-CA 3.49Å; I62-I76 HydrophobicContact CB-CB 4.35Å; I62-I76 PolarHBondContact N-O 2.92Å; I62-I76 PolarHBondContact O-N 3.09Å; I62-F78 HydrophobicContact CD1-CE1 3.96Å; I62-F78 HydrophobicContact CG1-CD1 4.49Å; I62-F78 HydrophobicContact CG1-CE1 3.63Å; I62-F78 HydrophobicContact CG1-CZ 3.91Å; I62-V106 HydrophobicContact CD1-CG1 4.45Å; I62-V106 HydrophobicContact CD1-CG2 4.11Å; I62-F119 HydrophobicContact CG2-CE2 4.44Å; I62-V133 HydrophobicContact CD1-CG1 3.78Å
63I97.1Very high93.2Very high7 Ų724.4 Ų24.44%0.03614%0.139CC..EExtended strand (participates in β ladder)trans-117133.5174.7-56.3170.3000108.1L27 L55 V56 T58 R61 F65 L74L27-I63 HydrophobicContact CD2-CG2 3.8Å; L55-I63 CarbonylContact C-O 3.59Å; V56-I63 HydrophobicContact CB-CB 4.25Å; V56-I63 PolarHBondContact N-O 2.75Å; V56-I63 PolarHBondContact O-N 2.9Å; T58-I63 HydrophobicContact CG2-CD1 4.22Å; R61-I63 HydrophobicContact CG-CD1 4.39Å; R61-I63 HydrophobicContact CG-CG1 4.11Å; I63-F65 HydrophobicContact CG2-CD1 4.39Å; I63-L74 CarbonylContact C-O 3.53Å; I63-L74 VanDerWaalsContact CA-O 3.27Å; I63-L74 WeakPolarHBondContact CA-O 3.02Å
64W95.5Very high93.3Very high1 Ų124.6 Ų24.60%0.00414%0.14CC..EExtended strand (participates in β ladder)trans-126.2142.4169.7-178.589.5000109.7V42 D44 T54 L55 A66 I72 N73 L74 F119V42-W64 PolarHBondContact O-NE1 3.05Å; D44-W64 HydrophobicContact CB-CD2 4.07Å; D44-W64 HydrophobicContact CB-CE3 4.23Å; D44-W64 HydrophobicContact CB-CH2 3.9Å; D44-W64 HydrophobicContact CB-CZ2 3.73Å; D44-W64 HydrophobicContact CB-CZ3 4.14Å; T54-W64 WeakPolarHBondContact O-CA 3.31Å; L55-W64 HydrophobicContact CD1-CB 3.88Å; L55-W64 HydrophobicContact CD1-CG 4.35Å; W64-A66 HydrophobicContact CH2-CB 3.74Å; W64-A66 HydrophobicContact CZ2-CB 4.41Å; W64-A66 HydrophobicContact CZ3-CB 4.18Å; W64-I72 HydrophobicContact CZ3-CG2 4.11Å; W64-N73 CarbonylContact O-C 3.5Å; W64-N73 WeakPolarHBondContact O-CA 3.24Å; W64-N73 VanDerWaalsContact O-CB 3.26Å; W64-N73 WeakPolarHBondContact O-CB 3.36Å; W64-L74 HydrophobicContact CB-CB 4.27Å; W64-L74 HydrophobicContact CB-CD1 4.35Å; W64-L74 HydrophobicContact CD2-CD1 4.41Å; W64-L74 HydrophobicContact CE3-CD1 3.85Å; W64-L74 HydrophobicContact CE3-CG 4.04Å; W64-L74 PolarHBondContact N-O 2.98Å; W64-L74 PolarHBondContact O-N 2.84Å; W64-F119 HydrophobicContact CB-CE1 3.66Å; W64-F119 HydrophobicContact CB-CZ 4.09Å; W64-F119 AromaticContact CD1-CD1 3.9Å; W64-F119 AromaticContact CD1-CE1 3.8Å; W64-F119 HydrophobicContact CD2-CE1 4.32Å; W64-F119 HydrophobicContact CG-CD1 4.21Å; W64-F119 AromaticContact CG-CE1 3.65Å; W64-F119 HydrophobicContact CG-CE1 3.65Å
65F94.5Very high93.4Very high18 Ų1824.5 Ų24.58%0.07914%0.14CC..EExtended strand (participates in β ladder)trans-145142171.656.7-92.1000111G53 T54 V56 I63 I72 N73G53-F65 CarbonylContact C-O 2.96Å; G53-F65 WeakPolarHBondContact CA-O 3.46Å; T54-F65 VanDerWaalsContact CB-CZ 3.43Å; T54-F65 HydrophobicContact CG2-CE1 4.08Å; T54-F65 HydrophobicContact CG2-CE2 4.45Å; T54-F65 HydrophobicContact CG2-CZ 3.77Å; T54-F65 PolarHBondContact N-O 3.24Å; T54-F65 PolarHBondContact O-N 3.1Å; T54-F65 VanDerWaalsContact O-N 3.14Å; V56-F65 HydrophobicContact CG2-CE1 3.92Å; I63-F65 HydrophobicContact CG2-CD1 4.39Å; F65-I72 WeakPolarHBondContact CA-O 3.32Å; F65-N73 HydrophobicContact CB-CB 3.72Å
66A93.3Very high93.5Very high0 Ų024.6 Ų24.60%014%0.14CC..EExtended strand (participates in β ladder)trans-70.7145.9179.300000111.3W64 T69 I72W64-A66 HydrophobicContact CH2-CB 3.74Å; W64-A66 HydrophobicContact CZ2-CB 4.41Å; W64-A66 HydrophobicContact CZ3-CB 4.18Å; A66-T69 CarbonylContact O-C 3.57Å; A66-I72 HydrophobicContact CB-CB 4.17Å; A66-I72 HydrophobicContact CB-CG2 4.45Å; A66-I72 PolarHBondContact N-O 2.93Å
67H92Very high93.7Very high92 Ų9224.4 Ų24.443%0.42614%0.139SC..SBendtrans-75.1-34.7175.5-69.3176.3000112.4K52 G53 T54 T69K52-H67 WeakPolarHBondContact O-CB 3.42Å; K52-H67 PolarHBondContact O-N 3.35Å; G53-H67 PolarHBondContact O-CE1 2.95Å; G53-H67 PolarHBondContact O-NE2 3.43Å; G53-H67 VanDerWaalsContact O-NE2 3.13Å; T54-H67 PolarHBondContact N-NE2 3.14Å; T54-H67 PolarHBondContact OG1-CD2 3.36Å; T54-H67 PolarHBondContact OG1-NE2 3.48Å; H67-T69 VanDerWaalsContact C-N 3.32Å; H67-T69 PolarHBondContact O-N 3.34Å
68A88.9Confident93.7Very high90 Ų9024.5 Ų24.574%0.74414%0.139SC*.SBendtrans-65.4-37.9-179.800000111.8
69T87.5Confident93.7Very high52 Ų5227.6 Ų27.632%0.31916%0.156SC..  trans-153.2118.7175.1173.20000110.3A66 H67 K71 I72A66-T69 CarbonylContact O-C 3.57Å; H67-T69 VanDerWaalsContact C-N 3.32Å; H67-T69 PolarHBondContact O-N 3.34Å; T69-K71 PolarHBondContact O-N 2.85Å; T69-K71 VanDerWaalsContact O-N 3.13Å; T69-K71 WeakPolarHBondContact OG1-CB 3.47Å; T69-K71 PolarHBondContact OG1-N 2.77Å; T69-I72 HydrophobicContact CG2-CB 4.27Å; T69-I72 HydrophobicContact CG2-CD1 3.54Å; T69-I72 HydrophobicContact CG2-CG1 3.71Å; T69-I72 PolarHBondContact O-N 2.81Å; T69-I72 VanDerWaalsContact O-N 3.15Å
70C84Confident93.7Very high65 Ų6527.7 Ų27.744%0.43916%0.157SC..THydrogen-bonded Turntrans-69.4-7.5176.5-58.90000113.1I72 N73C70-I72 PolarHBondContact O-N 3.5Å; C70-N73 PolarHBondContact O-ND2 2.77Å
71K87.3Confident93.7Very high123 Ų12328.2 Ų28.254%0.53516%0.16SC..THydrogen-bonded Turntrans-64.1-30.2171-63.3-173.1178.1-178.40111.4D21 T69 N73D21-K71 WeakPolarHBondContact CA-O 3.17Å; D21-K71 WeakPolarHBondContact CB-O 3.38Å; T69-K71 PolarHBondContact O-N 2.85Å; T69-K71 VanDerWaalsContact O-N 3.13Å; T69-K71 WeakPolarHBondContact OG1-CB 3.47Å; T69-K71 PolarHBondContact OG1-N 2.77Å; K71-N73 PolarHBondContact O-N 2.94Å; K71-N73 PolarHBondContact O-ND2 3.29Å
72I89.8Confident93.5Very high55 Ų5532.6 Ų32.628%0.28219%0.187SC..SBendtrans-86.5108.7172.5-58.4173.5000107.9D21 W64 F65 A66 T69 C70D21-I72 WeakPolarHBondContact OD1-CA 3.11Å; W64-I72 HydrophobicContact CZ3-CG2 4.11Å; F65-I72 WeakPolarHBondContact CA-O 3.32Å; A66-I72 HydrophobicContact CB-CB 4.17Å; A66-I72 HydrophobicContact CB-CG2 4.45Å; A66-I72 PolarHBondContact N-O 2.93Å; T69-I72 HydrophobicContact CG2-CB 4.27Å; T69-I72 HydrophobicContact CG2-CD1 3.54Å; T69-I72 HydrophobicContact CG2-CG1 3.71Å; T69-I72 PolarHBondContact O-N 2.81Å; T69-I72 VanDerWaalsContact O-N 3.15Å; C70-I72 PolarHBondContact O-N 3.5Å
73N92.7Very high93.4Very high0 Ų033.7 Ų33.70%020%0.198CC..EExtended strand (participates in β ladder)trans-153.3163.4-178.766.675.3000112.7F20 D21 L22 L27 W64 F65 C70 K71F20-N73 CarbonylContact C-O 3.55Å; F20-N73 WeakPolarHBondContact CA-O 3.45Å; D21-N73 PolarHBondContact N-O 3.43Å; D21-N73 PolarHBondContact OD1-N 3.07Å; L22-N73 VanDerWaalsContact CB-OD1 3.29Å; L22-N73 WeakPolarHBondContact CB-OD1 3.29Å; L22-N73 PolarHBondContact N-ND2 2.87Å; L22-N73 PolarHBondContact N-OD1 3.34Å; L22-N73 PolarHBondContact O-ND2 2.95Å; L27-N73 HydrophobicContact CD1-CB 4.34Å; W64-N73 CarbonylContact O-C 3.5Å; W64-N73 WeakPolarHBondContact O-CA 3.24Å; W64-N73 VanDerWaalsContact O-CB 3.26Å; W64-N73 WeakPolarHBondContact O-CB 3.36Å; F65-N73 HydrophobicContact CB-CB 3.72Å; C70-N73 PolarHBondContact O-ND2 2.77Å; K71-N73 PolarHBondContact O-N 2.94Å; K71-N73 PolarHBondContact O-ND2 3.29Å
74L93.7Very high93.3Very high4 Ų434.5 Ų34.52%0.02120%0.202CC..EExtended strand (participates in β ladder)trans-134.1140.4-176.7-56.5169.6000108.8Q19 F20 I63 W64 F117 F119 Y310Q19-L74 WeakPolarHBondContact O-CA 3.46Å; F20-L74 HydrophobicContact CD1-CD2 3.14Å; F20-L74 HydrophobicContact CE1-CD2 3.4Å; F20-L74 HydrophobicContact CG-CD2 4.12Å; I63-L74 CarbonylContact C-O 3.53Å; I63-L74 VanDerWaalsContact CA-O 3.27Å; I63-L74 WeakPolarHBondContact CA-O 3.02Å; W64-L74 HydrophobicContact CB-CB 4.27Å; W64-L74 HydrophobicContact CB-CD1 4.35Å; W64-L74 HydrophobicContact CD2-CD1 4.41Å; W64-L74 HydrophobicContact CE3-CD1 3.85Å; W64-L74 HydrophobicContact CE3-CG 4.04Å; W64-L74 PolarHBondContact N-O 2.98Å; W64-L74 PolarHBondContact O-N 2.84Å; L74-F117 HydrophobicContact CD1-CD1 4.34Å; L74-F119 HydrophobicContact CD1-CE1 4.13Å; L74-F119 HydrophobicContact CD1-CZ 4.18Å; L74-Y310 HydrophobicContact CD1-CE1 4.09Å; L74-Y310 WeakPolarHBondContact CD1-OH 3.14Å; L74-Y310 HydrophobicContact CD2-CE2 4.18Å
75S95.8Very high93.2Very high0 Ų043.2 Ų43.20%024%0.235CC..EExtended strand (participates in β ladder)trans-131.4119.8169.7171.70000108.5I18 Q19 L22 R61 I62I18-S75 CarbonylContact C-O 3.43Å; I18-S75 WeakPolarHBondContact CA-O 3.41Å; Q19-S75 PolarHBondContact N-O 2.89Å; Q19-S75 PolarHBondContact O-N 3.49Å; L22-S75 VanDerWaalsContact CD1-CB 3.41Å; R61-S75 WeakPolarHBondContact CD-OG 3.48Å; R61-S75 PolarHBondContact NH1-OG 2.96Å; I62-S75 CarbonylContact O-C 3.59Å; I62-S75 WeakPolarHBondContact O-CA 3.49Å
76I96.9Very high93.1Very high1 Ų145.8 Ų45.81%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-120.5105.9-176.2-54.6164.1000108.5R61 I62 V81 V106 T108 F117 F119R61-I76 CarbonylContact C-O 3.58Å; R61-I76 WeakPolarHBondContact CA-O 3.31Å; R61-I76 VanDerWaalsContact CB-O 3.24Å; R61-I76 WeakPolarHBondContact CB-O 3.31Å; I62-I76 HydrophobicContact CB-CB 4.35Å; I62-I76 PolarHBondContact N-O 2.92Å; I62-I76 PolarHBondContact O-N 3.09Å; I76-V81 HydrophobicContact CG2-CG2 4.07Å; I76-V106 HydrophobicContact CG2-CG1 4.42Å; I76-T108 HydrophobicContact CG2-CG2 3.67Å; I76-F117 HydrophobicContact CD1-CB 4.11Å; I76-F117 HydrophobicContact CD1-CD1 3.81Å; I76-F117 HydrophobicContact CD1-CD2 3.57Å; I76-F117 HydrophobicContact CD1-CE1 4.14Å; I76-F117 HydrophobicContact CD1-CE2 3.91Å; I76-F117 HydrophobicContact CD1-CG 3.54Å; I76-F117 HydrophobicContact CD1-CZ 4.2Å; I76-F117 HydrophobicContact CG1-CD2 4.27Å; I76-F117 HydrophobicContact CG1-CE1 4.39Å; I76-F117 HydrophobicContact CG1-CE2 4.1Å; I76-F117 HydrophobicContact CG1-CZ 4.19Å; I76-F119 HydrophobicContact CD1-CE2 4Å; I76-F119 HydrophobicContact CD1-CZ 4.02Å
77G97.3Very high92.8Very high0 Ų052.4 Ų52.40%028%0.278CS..EExtended strand (participates in β ladder)trans-68137.9175.500000113E14 D15 D17 N79 A80E14-G77 WeakPolarHBondContact O-CA 3.35Å; D15-G77 VanDerWaalsContact C-CA 3.48Å; D15-G77 CarbonylContact O-C 3.54Å; D15-G77 VanDerWaalsContact O-CA 3.28Å; D15-G77 WeakPolarHBondContact O-CA 3.35Å; D17-G77 PolarHBondContact O-N 2.75Å; G77-N79 VanDerWaalsContact C-N 3.25Å; G77-N79 PolarHBondContact O-N 2.82Å; G77-A80 WeakPolarHBondContact O-CB 3.39Å; G77-A80 PolarHBondContact O-N 2.77Å
78F97.7Very high92.3Very high2 Ų251.7 Ų51.71%0.00928%0.283CS..G310 helixtrans-64.7-25.1-177.7-73.9-53.7000114.1D15 I57 T58 L60 I62 A80 V81 V136 H137 Y140D15-F78 PolarHBondContact O-N 3.49Å; I57-F78 HydrophobicContact CG2-CZ 4.21Å; T58-F78 WeakPolarHBondContact O-CE2 3.42Å; L60-F78 WeakPolarHBondContact O-CD2 3.4Å; L60-F78 PolarHBondContact O-N 2.85Å; I62-F78 HydrophobicContact CD1-CE1 3.96Å; I62-F78 HydrophobicContact CG1-CD1 4.49Å; I62-F78 HydrophobicContact CG1-CE1 3.63Å; I62-F78 HydrophobicContact CG1-CZ 3.91Å; F78-A80 PolarHBondContact O-N 2.87Å; F78-V81 HydrophobicContact CD1-CG2 4.36Å; F78-V81 WeakPolarHBondContact O-CB 3.29Å; F78-V81 PolarHBondContact O-N 3.14Å; F78-V136 HydrophobicContact CD2-CG1 4.21Å; F78-V136 HydrophobicContact CE2-CB 4.4Å; F78-V136 HydrophobicContact CE2-CG1 3.36Å; F78-V136 HydrophobicContact CZ-CB 4.19Å; F78-V136 HydrophobicContact CZ-CG1 3.61Å; F78-H137 HydrophobicContact CD1-CB 4.25Å; F78-H137 AromaticContact CD1-CD2 3.79Å; F78-H137 HydrophobicContact CE1-CB 4.32Å; F78-Y140 HydrophobicContact CB-CD1 3.59Å; F78-Y140 HydrophobicContact CB-CD2 3.96Å; F78-Y140 HydrophobicContact CB-CE1 3.88Å; F78-Y140 HydrophobicContact CB-CE2 4.23Å; F78-Y140 HydrophobicContact CB-CG 3.67Å; F78-Y140 HydrophobicContact CD2-CD2 4.27Å; F78-Y140 HydrophobicContact CD2-CG 4.37Å; F78-Y140 HydrophobicContact CG-CG 4.36Å
79N96Very high91.5Very high66 Ų6650.1 Ų50.135%0.35326%0.262SS..G310 helixtrans-69.9-23.9174.6-151.316.3000112.9D15 R16 G77 V81 Y140D15-N79 WeakPolarHBondContact O-CA 3.45Å; D15-N79 WeakPolarHBondContact O-CB 3.42Å; D15-N79 PolarHBondContact O-N 2.96Å; R16-N79 PolarHBondContact NH1-ND2 3.46Å; R16-N79 VanDerWaalsContact NH1-ND2 3.18Å; G77-N79 VanDerWaalsContact C-N 3.25Å; G77-N79 PolarHBondContact O-N 2.82Å; N79-V81 VanDerWaalsContact C-N 3.31Å; N79-Y140 HydrophobicContact CB-CE1 4.04Å; N79-Y140 WeakPolarHBondContact CB-OH 3.39Å
80A95.2Very high90.3Very high5 Ų552 Ų524%0.04127%0.273CS..G310 helixtrans-81.9-13.8176.100000112I18 G77 F78 T108 R109I18-A80 HydrophobicContact CD1-CB 4.18Å; I18-A80 HydrophobicContact CG1-CB 3.92Å; G77-A80 WeakPolarHBondContact O-CB 3.39Å; G77-A80 PolarHBondContact O-N 2.77Å; F78-A80 PolarHBondContact O-N 2.87Å; A80-T108 CarbonylContact O-C 3.49Å; A80-T108 WeakPolarHBondContact O-CA 3.06Å; A80-T108 VanDerWaalsContact O-CB 3.23Å; A80-T108 WeakPolarHBondContact O-CB 3.17Å; A80-R109 PolarHBondContact O-N 2.9Å
81V96.8Very high88.8Confident11 Ų1151.6 Ų51.67%0.06727%0.271CS..EExtended strand (participates in β ladder)trans-75.4130.2-178.7178.90000109.9I76 F78 N79 I84 V106 T108 H137I76-V81 HydrophobicContact CG2-CG2 4.07Å; F78-V81 HydrophobicContact CD1-CG2 4.36Å; F78-V81 WeakPolarHBondContact O-CB 3.29Å; F78-V81 PolarHBondContact O-N 3.14Å; N79-V81 VanDerWaalsContact C-N 3.31Å; V81-I84 HydrophobicContact CG1-CD1 3.91Å; V81-I84 HydrophobicContact CG1-CG1 3.5Å; V81-I84 VanDerWaalsContact CG1-CG1 3.5Å; V81-V106 HydrophobicContact CG1-CG1 4.09Å; V81-V106 HydrophobicContact CG2-CG1 3.87Å; V81-T108 HydrophobicContact CG2-CG2 4.13Å; V81-H137 WeakPolarHBondContact CG1-NE2 3.42Å
82T94.9Very high86.9Confident92 Ų9250.9 Ų50.956%0.56428%0.277SS*.EExtended strand (participates in β ladder)trans-110.2-16.9176.757.40000112.6L107 R109T82-L107 PolarHBondContact N-O 3.46Å; T82-L107 PolarHBondContact OG1-O 2.62Å; T82-R109 HydrophobicContact CG2-CB 3.68Å
83G94.8Very high84.5Confident23 Ų2352.6 Ų52.624%0.23729%0.293CS..EExtended strand (participates in β ladder)trans-168.9141.2175.500000112.8L107G83-L107 PolarHBondContact N-O 3.15Å; G83-L107 PolarHBondContact O-N 2.94Å
84I95.6Very high82.2Confident24 Ų2461.8 Ų61.812%0.12334%0.335CS..EExtended strand (participates in β ladder)trans-124131.2175-53.9-172.4000108.6V81 L104 Y105 V133 L134 H137V81-I84 HydrophobicContact CG1-CD1 3.91Å; V81-I84 HydrophobicContact CG1-CG1 3.5Å; V81-I84 VanDerWaalsContact CG1-CG1 3.5Å; I84-L104 HydrophobicContact CG2-CD1 3.44Å; I84-L104 VanDerWaalsContact CG2-CD1 3.44Å; I84-Y105 WeakPolarHBondContact CA-O 3.3Å; I84-V133 HydrophobicContact CD1-CG1 3.74Å; I84-V133 HydrophobicContact CG2-CG1 4.36Å; I84-L134 HydrophobicContact CB-CD2 3.95Å; I84-L134 HydrophobicContact CG2-CD2 3.74Å; I84-L134 HydrophobicContact CG2-CG 4.27Å; I84-H137 HydrophobicContact CD1-CB 3.59Å
85R93.1Very high79.6Confident184 Ų18469.1 Ų69.169%0.69438%0.375SS*.EExtended strand (participates in β ladder)trans-135.7143.8176.3-61-177.9179.9-179.2-0.1110.4Y105R85-Y105 PolarHBondContact N-O 2.79Å; R85-Y105 PolarHBondContact O-N 3.04Å
86T91Very high77Confident72 Ų7278.2 Ų78.244%0.44241%0.414SS..EExtended strand (participates in β ladder)trans-115.8136.5174.653.60000109.7S103 L104 F130 L134T86-S103 CarbonylContact C-O 3.59Å; T86-S103 WeakPolarHBondContact CA-O 3.45Å; T86-L104 HydrophobicContact CG2-CD1 3.79Å; T86-F130 HydrophobicContact CG2-CB 3.7Å; T86-F130 HydrophobicContact CG2-CG 4.45Å; T86-L134 HydrophobicContact CG2-CD1 4.04Å
87R87.9Confident74.7Confident140 Ų14084.2 Ų84.253%0.52845%0.446SS..EExtended strand (participates in β ladder)trans-127.9123.4175.2-171.8177.2173.6-178.81.2109.4N89 S103 Y105R87-N89 PolarHBondContact NE-ND2 2.88Å; R87-N89 VanDerWaalsContact NE-ND2 3.19Å; R87-N89 PolarHBondContact NE-OD1 3.47Å; R87-N89 PolarHBondContact NH2-OD1 2.92Å; R87-S103 PolarHBondContact N-O 3.24Å; R87-S103 PolarHBondContact O-N 2.96Å; R87-Y105 HydrophobicContact CB-CE2 3.86Å
88S82.2Confident72.6Confident77 Ų7792.3 Ų92.354%0.53849%0.488SS..EExtended strand (participates in β ladder)trans-98113.1171.1-50.10000108.1
89N70.8Confident70.8Confident56 Ų5693.3 Ų93.330%0.29950%0.499SS..EExtended strand (participates in β ladder)trans-109.5139.7173.8-69.5-38.2000109.6R87 S91 T101R87-N89 PolarHBondContact NE-ND2 2.88Å; R87-N89 VanDerWaalsContact NE-ND2 3.19Å; R87-N89 PolarHBondContact NE-OD1 3.47Å; R87-N89 PolarHBondContact NH2-OD1 2.92Å; N89-S91 PolarHBondContact O-N 3.05Å; N89-T101 PolarHBondContact N-O 3.17Å; N89-T101 PolarHBondContact O-N 2.88Å
90V62Low69.6Low93 Ų9395.2 Ų95.256%0.56450%0.504SS*.EExtended strand (participates in β ladder)trans-80.4105.7164.2-177.30000106V92 K100V90-V92 PolarHBondContact O-N 2.94Å; V90-K100 HydrophobicContact CG2-CD 4.33Å; V90-K100 HydrophobicContact CG2-CG 4.47Å
91S54.3Low68.9Low55 Ų5595.6 Ų95.639%0.38551%0.506SS..  trans-80.5122.5177.6-159.10000108.9N89N89-S91 PolarHBondContact O-N 3.05Å
92V45.4Very low68.5Low108 Ų10896.2 Ų96.266%0.65551%0.508SS*.  trans-10093.7172.9-177.40000106.8V90V90-V92 PolarHBondContact O-N 2.94Å
93C41.3Very low68.3Low92 Ų9292.3 Ų92.362%0.62248%0.484SS*.  trans-78.2140.9165.5-73.30000109.1N95 K96C93-N95 PolarHBondContact O-N 2.86Å; C93-K96 PolarHBondContact O-N 3.13Å
94Q43.5Very low68.2Low192 Ų19291.2 Ų91.290%0.89747%0.473SS*.THydrogen-bonded Turntrans-52.82.7-160.6-84.5177.8-2100118.8
95N39.6Very low68.2Low158 Ų15892.6 Ų92.685%0.84548%0.477SS*.THydrogen-bonded Turntrans-158.121.7177.4-100.7-24.7000118.3C93C93-N95 PolarHBondContact O-N 2.86Å
96K40.6Very low68.3Low192 Ų19283.9 Ų83.984%0.83544%0.444SS*.  trans-173.7125.7162.5-104.1153.5-170.4-175.50110.1C93C93-K96 PolarHBondContact O-N 3.13Å
97L47.8Very low68.6Low127 Ų12783 Ų8367%0.66544%0.437SS*.  trans-60.9141.7166.8-87.3135.8000109.9
98L54.4Low68.9Low170 Ų17076.4 Ų76.489%0.8941%0.412SS*.  trans148.855.3141.3-80145.6000113.8
99G59.8Low69.3Low23 Ų2377.8 Ų77.824%0.23741%0.405CS..  trans-146.1110.9164.100000111.4T101G99-T101 PolarHBondContact O-N 2.98Å
100K70.5Confident70Confident105 Ų10575.9 Ų75.946%0.45740%0.397SS..EExtended strand (participates in β ladder)trans-73.1127.6164.7-59.3-149.6-152.2120.50107.4V90 N123 H124V90-K100 HydrophobicContact CG2-CD 4.33Å; V90-K100 HydrophobicContact CG2-CG 4.47Å; K100-N123 PolarHBondContact O-N 3.23Å; K100-H124 VanDerWaalsContact CB-CE1 3.41Å; K100-H124 WeakPolarHBondContact CB-CE1 3.31Å; K100-H124 WeakPolarHBondContact CB-NE2 3.35Å; K100-H124 VanDerWaalsContact CD-CE1 3.44Å; K100-H124 WeakPolarHBondContact CD-CE1 3.19Å; K100-H124 WeakPolarHBondContact CD-NE2 3.43Å; K100-H124 WeakPolarHBondContact CE-NE2 3.04Å; K100-H124 WeakPolarHBondContact CG-NE2 3.48Å; K100-H124 PolarHBondContact NZ-NE2 2.9Å
101T81.3Confident71Confident13 Ų1376.4 Ų76.48%0.0840%0.396CS..EExtended strand (participates in β ladder)trans-99.8127.3173.1-54.30000107.3N89 G99 T121 F122N89-T101 PolarHBondContact N-O 3.17Å; N89-T101 PolarHBondContact O-N 2.88Å; G99-T101 PolarHBondContact O-N 2.98Å; T101-T121 WeakPolarHBondContact CA-O 3.3Å; T101-F122 HydrophobicContact CG2-CD1 4.11Å; T101-F122 HydrophobicContact CG2-CE1 3.94Å
102E87.8Confident72.1Confident25 Ų2575.9 Ų75.912%0.11739%0.393CS..EExtended strand (participates in β ladder)trans-106.4135.7170.3-66.6-175.8177.700108.2S120 T121 H124 S127 F130E102-S120 WeakPolarHBondContact O-CA 3.09Å; E102-T121 PolarHBondContact N-O 2.83Å; E102-T121 VanDerWaalsContact N-O 3.12Å; E102-T121 PolarHBondContact O-N 2.96Å; E102-H124 IonicContact OE1-CE1 3.71Å; E102-H124 IonicContact OE1-ND1 3.7Å; E102-S127 WeakPolarHBondContact OE2-CA 3.37Å; E102-F130 HydrophobicContact CB-CD2 4.04Å; E102-F130 HydrophobicContact CB-CE2 3.83Å; E102-F130 WeakPolarHBondContact O-CE2 3.5Å
103S90.1Very high74Confident9 Ų971.7 Ų71.76%0.06337%0.367CS..EExtended strand (participates in β ladder)trans-124.4134.6177.9-59.90000110.6T86 R87 F119 S120T86-S103 CarbonylContact C-O 3.59Å; T86-S103 WeakPolarHBondContact CA-O 3.45Å; R87-S103 PolarHBondContact N-O 3.24Å; R87-S103 PolarHBondContact O-N 2.96Å; S103-F119 CarbonylContact C-O 3.5Å; S103-F119 VanDerWaalsContact CA-O 3.27Å; S103-F119 WeakPolarHBondContact CA-O 3.19Å; S103-S120 PolarHBondContact OG-OG 2.97Å
104L93.4Very high76.3Confident0 Ų072 Ų720%036%0.355CS..EExtended strand (participates in β ladder)trans-103.4122.8172.1176.774.9000109I84 T86 V106 I118 F119 F130 V133I84-L104 HydrophobicContact CG2-CD1 3.44Å; I84-L104 VanDerWaalsContact CG2-CD1 3.44Å; T86-L104 HydrophobicContact CG2-CD1 3.79Å; L104-V106 HydrophobicContact CD2-CG2 3.86Å; L104-V106 HydrophobicContact CG-CG2 3.85Å; L104-I118 CarbonylContact O-C 3.58Å; L104-I118 WeakPolarHBondContact O-CA 3.33Å; L104-F119 HydrophobicContact CB-CB 4.33Å; L104-F119 HydrophobicContact CD2-CD2 4.12Å; L104-F119 PolarHBondContact N-O 2.82Å; L104-F119 PolarHBondContact O-N 3.42Å; L104-F130 HydrophobicContact CB-CD1 3.6Å; L104-F130 HydrophobicContact CB-CD2 4.13Å; L104-F130 HydrophobicContact CB-CE1 3.51Å; L104-F130 HydrophobicContact CB-CE2 4.05Å; L104-F130 HydrophobicContact CB-CG 3.89Å; L104-F130 HydrophobicContact CB-CZ 3.73Å; L104-F130 HydrophobicContact CD1-CB 4.32Å; L104-F130 HydrophobicContact CD1-CD1 4.33Å; L104-F130 HydrophobicContact CD1-CG 4.39Å; L104-F130 HydrophobicContact CD2-CD1 3.79Å; L104-F130 HydrophobicContact CD2-CE1 3.97Å; L104-F130 HydrophobicContact CG-CD1 4.13Å; L104-F130 HydrophobicContact CG-CE1 4.34Å; L104-V133 HydrophobicContact CD1-CG1 4.46Å; L104-V133 HydrophobicContact CD2-CB 4.38Å; L104-V133 HydrophobicContact CD2-CG1 4.23Å; L104-V133 HydrophobicContact CD2-CG2 3.82Å
105Y95Very high78.6Confident54 Ų5463.5 Ų63.521%0.21232%0.315CS..EExtended strand (participates in β ladder)trans-102.3119.8173.7-64.2-102.9000108I84 R85 R87 F117 I118I84-Y105 WeakPolarHBondContact CA-O 3.3Å; R85-Y105 PolarHBondContact N-O 2.79Å; R85-Y105 PolarHBondContact O-N 3.04Å; R87-Y105 HydrophobicContact CB-CE2 3.86Å; Y105-F117 WeakPolarHBondContact CA-O 3.34Å; Y105-I118 HydrophobicContact CD1-CD1 4.05Å; Y105-I118 HydrophobicContact CD1-CG1 3.81Å; Y105-I118 HydrophobicContact CE1-CD1 3.69Å; Y105-I118 HydrophobicContact CE1-CG1 3.9Å; Y105-I118 HydrophobicContact CE1-CG2 4.24Å
106V96.4Very high81.2Confident0 Ų058.1 Ų58.10%029%0.285CS..EExtended strand (participates in β ladder)trans-115.4107.4176.2-172.80000107.7I62 I76 V81 L104 T108 E116 F117 F119I62-V106 HydrophobicContact CD1-CG1 4.45Å; I62-V106 HydrophobicContact CD1-CG2 4.11Å; I76-V106 HydrophobicContact CG2-CG1 4.42Å; V81-V106 HydrophobicContact CG1-CG1 4.09Å; V81-V106 HydrophobicContact CG2-CG1 3.87Å; L104-V106 HydrophobicContact CD2-CG2 3.86Å; L104-V106 HydrophobicContact CG-CG2 3.85Å; V106-T108 HydrophobicContact CG1-CG2 3.91Å; V106-E116 WeakPolarHBondContact O-CA 3.49Å; V106-F117 HydrophobicContact CB-CB 4.29Å; V106-F117 HydrophobicContact CB-CD2 4.49Å; V106-F117 PolarHBondContact N-O 3.01Å; V106-F117 PolarHBondContact O-N 3.16Å; V106-F119 HydrophobicContact CG2-CD2 4.44Å; V106-F119 HydrophobicContact CG2-CE2 4.45Å
107L95.8Very high83.8Confident55 Ų5549 Ų4929%0.28825%0.245SC..EExtended strand (participates in β ladder)trans-89.4138169.7-77.991.3000109.3T82 G83 E116T82-L107 PolarHBondContact N-O 3.46Å; T82-L107 PolarHBondContact OG1-O 2.62Å; G83-L107 PolarHBondContact N-O 3.15Å; G83-L107 PolarHBondContact O-N 2.94Å; L107-E116 HydrophobicContact CG-CB 4.45Å; L107-E116 HydrophobicContact CG-CG 4.49Å
108T95.3Very high86Confident1 Ų144.2 Ų44.21%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-139161.2-17765.80000110.4I18 I76 A80 V81 V106 R114 F115 F117I18-T108 HydrophobicContact CD1-CG2 4.2Å; I18-T108 WeakPolarHBondContact CD1-OG1 3.37Å; I76-T108 HydrophobicContact CG2-CG2 3.67Å; A80-T108 CarbonylContact O-C 3.49Å; A80-T108 WeakPolarHBondContact O-CA 3.06Å; A80-T108 VanDerWaalsContact O-CB 3.23Å; A80-T108 WeakPolarHBondContact O-CB 3.17Å; V81-T108 HydrophobicContact CG2-CG2 4.13Å; V106-T108 HydrophobicContact CG1-CG2 3.91Å; T108-R114 WeakPolarHBondContact O-CA 3.39Å; T108-F115 PolarHBondContact N-O 3.17Å; T108-F115 PolarHBondContact O-N 3.45Å; T108-F115 WeakPolarHBondContact OG1-CB 3.38Å; T108-F115 PolarHBondContact OG1-O 3.12Å; T108-F117 HydrophobicContact CG2-CD2 4.04Å; T108-F117 HydrophobicContact CG2-CE2 3.8Å
109R90.7Very high87.8Confident106 Ų10636.1 Ų36.140%0.418%0.178SC..EExtended strand (participates in β ladder)trans-134.9119.4170.4178.9174.4159.8103.9-8.2108.5A80 T82 D111 T113 R114 D320A80-R109 PolarHBondContact O-N 2.9Å; T82-R109 HydrophobicContact CG2-CB 3.68Å; R109-D111 WeakPolarHBondContact CG-O 3.21Å; R109-D111 PolarHBondContact NE-O 3.2Å; R109-D111 PolarHBondContact NH2-O 2.92Å; R109-T113 WeakPolarHBondContact CA-O 3.48Å; R109-R114 HydrophobicContact CB-CG 4.47Å; R109-R114 HydrophobicContact CG-CG 4.49Å; R109-D320 IonicContact NH1-OD2 2.79Å
110S85.3Confident89.2Confident16 Ų1635.3 Ų35.311%0.11217%0.169CC..EExtended strand (participates in β ladder)trans-112.8116.6166.6-173.70000107.9S112 T113S110-S112 PolarHBondContact O-N 2.61Å; S110-T113 PolarHBondContact N-O 2.83Å; S110-T113 PolarHBondContact O-N 3.38Å
111D81.8Confident90Very high104 Ų10430.5 Ų30.556%0.55615%0.148SC*.THydrogen-bonded Turntrans53.9-114.6-171.4-56.8-33.1000112.6K8 R109K8-D111 VanDerWaalsContact CE-OD1 3.28Å; K8-D111 WeakPolarHBondContact CE-OD1 3.28Å; K8-D111 IonicContact NZ-OD1 3.27Å; K8-D111 PolarHBondContact NZ-OD1 3.3Å; K8-D111 IonicContact NZ-OD2 3.43Å; K8-D111 PolarHBondContact NZ-OD2 2.97Å; R109-D111 WeakPolarHBondContact CG-O 3.21Å; R109-D111 PolarHBondContact NE-O 3.2Å; R109-D111 PolarHBondContact NH2-O 2.92Å
112S79Confident89.9Confident44 Ų4434.9 Ų34.931%0.30817%0.166SC..THydrogen-bonded Turntrans-91.3-11.9176.1510000113.3S110S110-S112 PolarHBondContact O-N 2.61Å
113T84.6Confident88.9Confident20 Ų2038.1 Ų38.112%0.12318%0.184CC..EExtended strand (participates in β ladder)trans-96132.7-169.6-52.90000111R109 S110 F115 F311R109-T113 WeakPolarHBondContact CA-O 3.48Å; S110-T113 PolarHBondContact N-O 2.83Å; S110-T113 PolarHBondContact O-N 3.38Å; T113-F115 HydrophobicContact CG2-CD2 4.29Å; T113-F115 HydrophobicContact CG2-CE1 3.96Å; T113-F115 HydrophobicContact CG2-CE2 3.63Å; T113-F115 HydrophobicContact CG2-CZ 3.44Å; T113-F115 VanDerWaalsContact CG2-CZ 3.44Å; T113-F311 HydrophobicContact CG2-CD1 3.83Å; T113-F311 HydrophobicContact CG2-CE1 3.57Å
114R90.3Very high87.6Confident99 Ų9941.5 Ų41.537%0.37420%0.199SC..EExtended strand (participates in β ladder)trans-103.1125.6176.1-67.3179.6-172.1174.44110.4T108 R109 A312 Y313T108-R114 WeakPolarHBondContact O-CA 3.39Å; R109-R114 HydrophobicContact CB-CG 4.47Å; R109-R114 HydrophobicContact CG-CG 4.49Å; R114-A312 HydrophobicContact CB-CB 3.99Å; R114-A312 PolarHBondContact O-N 3.49Å; R114-Y313 PolarHBondContact NH1-OH 3.39Å
115F92Very high85.9Confident13 Ų1347.9 Ų47.96%0.05724%0.237CC..EExtended strand (participates in β ladder)trans-113.5150.9173.9-54.6-88000110.5I18 T108 T113 F117 L307 Y310 F311I18-F115 HydrophobicContact CD1-CD2 3.68Å; I18-F115 HydrophobicContact CD1-CE2 4.3Å; I18-F115 HydrophobicContact CD1-CG 4.48Å; T108-F115 PolarHBondContact N-O 3.17Å; T108-F115 PolarHBondContact O-N 3.45Å; T108-F115 WeakPolarHBondContact OG1-CB 3.38Å; T108-F115 PolarHBondContact OG1-O 3.12Å; T113-F115 HydrophobicContact CG2-CD2 4.29Å; T113-F115 HydrophobicContact CG2-CE1 3.96Å; T113-F115 HydrophobicContact CG2-CE2 3.63Å; T113-F115 HydrophobicContact CG2-CZ 3.44Å; T113-F115 VanDerWaalsContact CG2-CZ 3.44Å; F115-F117 HydrophobicContact CB-CE2 3.68Å; F115-F117 HydrophobicContact CB-CZ 3.83Å; F115-F117 HydrophobicContact CG-CZ 4.44Å; F115-L307 HydrophobicContact CD1-CD1 4.49Å; F115-L307 HydrophobicContact CE1-CD1 3.46Å; F115-L307 VanDerWaalsContact CE1-CD1 3.46Å; F115-L307 HydrophobicContact CE1-CG 3.84Å; F115-L307 HydrophobicContact CZ-CD1 3.65Å; F115-L307 HydrophobicContact CZ-CG 4.23Å; F115-Y310 CarbonylContact C-O 3.59Å; F115-Y310 VanDerWaalsContact CA-O 3.26Å; F115-Y310 WeakPolarHBondContact CA-O 3.4Å; F115-F311 AromaticContact CD1-CD1 3.88Å; F115-F311 HydrophobicContact CD1-CD1 3.88Å; F115-F311 HydrophobicContact CD1-CE1 4.13Å; F115-F311 AromaticContact CE1-CD1 3.62Å; F115-F311 HydrophobicContact CE1-CD1 3.62Å; F115-F311 AromaticContact CE1-CE1 3.39Å; F115-F311 HydrophobicContact CE1-CE1 3.39Å; F115-F311 HydrophobicContact CE1-CZ 4.49Å; F115-F311 HydrophobicContact CZ-CD1 4.44Å; F115-F311 AromaticContact CZ-CE1 3.97Å; F115-F311 HydrophobicContact CZ-CE1 3.97Å
116E93.9Very high84.4Confident45 Ų4546.9 Ų46.921%0.2124%0.236CC..EExtended strand (participates in β ladder)trans-129130.7172171.7-168.6-132.400108.5K46 V106 L107 I118 Y310 A312K46-E116 WeakPolarHBondContact CD-O 3.26Å; K46-E116 IonicContact NZ-OE2 3.74Å; K46-E116 PolarHBondContact NZ-OE2 2.99Å; V106-E116 WeakPolarHBondContact O-CA 3.49Å; L107-E116 HydrophobicContact CG-CB 4.45Å; L107-E116 HydrophobicContact CG-CG 4.49Å; E116-I118 HydrophobicContact CG-CG1 4.39Å; E116-Y310 PolarHBondContact N-O 3.06Å; E116-A312 HydrophobicContact CB-CB 4.18Å
117F94.6Very high82.8Confident0 Ų049.6 Ų49.60%026%0.255CS..EExtended strand (participates in β ladder)trans-114.9140.3176.8-54.4-90.2000109.3I18 F20 L74 I76 Y105 V106 T108 F115 F119 Y310I18-F117 HydrophobicContact CG2-CE2 4.3Å; I18-F117 HydrophobicContact CG2-CZ 3.64Å; F20-F117 AromaticContact CE1-CE1 3.86Å; F20-F117 HydrophobicContact CE1-CE1 3.86Å; F20-F117 HydrophobicContact CE1-CZ 4.39Å; F20-F117 AromaticContact CZ-CE1 3.88Å; F20-F117 HydrophobicContact CZ-CE1 3.88Å; F20-F117 AromaticContact CZ-CZ 3.94Å; F20-F117 HydrophobicContact CZ-CZ 3.94Å; L74-F117 HydrophobicContact CD1-CD1 4.34Å; I76-F117 HydrophobicContact CD1-CB 4.11Å; I76-F117 HydrophobicContact CD1-CD1 3.81Å; I76-F117 HydrophobicContact CD1-CD2 3.57Å; I76-F117 HydrophobicContact CD1-CE1 4.14Å; I76-F117 HydrophobicContact CD1-CE2 3.91Å; I76-F117 HydrophobicContact CD1-CG 3.54Å; I76-F117 HydrophobicContact CD1-CZ 4.2Å; I76-F117 HydrophobicContact CG1-CD2 4.27Å; I76-F117 HydrophobicContact CG1-CE1 4.39Å; I76-F117 HydrophobicContact CG1-CE2 4.1Å; I76-F117 HydrophobicContact CG1-CZ 4.19Å; Y105-F117 WeakPolarHBondContact CA-O 3.34Å; V106-F117 HydrophobicContact CB-CB 4.29Å; V106-F117 HydrophobicContact CB-CD2 4.49Å; V106-F117 PolarHBondContact N-O 3.01Å; V106-F117 PolarHBondContact O-N 3.16Å; T108-F117 HydrophobicContact CG2-CD2 4.04Å; T108-F117 HydrophobicContact CG2-CE2 3.8Å; F115-F117 HydrophobicContact CB-CE2 3.68Å; F115-F117 HydrophobicContact CB-CZ 3.83Å; F115-F117 HydrophobicContact CG-CZ 4.44Å; F117-F119 HydrophobicContact CB-CE2 3.88Å; F117-F119 HydrophobicContact CB-CZ 4.16Å; F117-Y310 AromaticContact CD1-CD1 3.23Å; F117-Y310 HydrophobicContact CD1-CD1 3.23Å; F117-Y310 AromaticContact CD1-CE1 3.52Å; F117-Y310 HydrophobicContact CD1-CE1 3.52Å; F117-Y310 HydrophobicContact CD1-CG 4.04Å; F117-Y310 AromaticContact CE1-CD1 3.4Å; F117-Y310 HydrophobicContact CE1-CD1 3.4Å; F117-Y310 VanDerWaalsContact CE1-CD1 3.4Å; F117-Y310 HydrophobicContact CE1-CD2 4.44Å; F117-Y310 AromaticContact CE1-CE1 3.86Å; F117-Y310 HydrophobicContact CE1-CE1 3.86Å; F117-Y310 AromaticContact CE1-CG 3.72Å; F117-Y310 HydrophobicContact CE1-CG 3.72Å; F117-Y310 HydrophobicContact CG-CD1 4.18Å; F117-Y310 HydrophobicContact CZ-CD1 4.44Å
118I93.4Very high82Confident26 Ų2654.5 Ų54.513%0.13327%0.274CS..EExtended strand (participates in β ladder)trans-126.3111.2179.8-54.6176000108.1T45 L104 Y105 E116T45-I118 PolarHBondContact N-O 3.46Å; L104-I118 CarbonylContact O-C 3.58Å; L104-I118 WeakPolarHBondContact O-CA 3.33Å; Y105-I118 HydrophobicContact CD1-CD1 4.05Å; Y105-I118 HydrophobicContact CD1-CG1 3.81Å; Y105-I118 HydrophobicContact CE1-CD1 3.69Å; Y105-I118 HydrophobicContact CE1-CG1 3.9Å; Y105-I118 HydrophobicContact CE1-CG2 4.24Å; E116-I118 HydrophobicContact CG-CG1 4.39Å
119F92.9Very high81.7Confident0 Ų054.5 Ų54.50%027%0.274CS..EExtended strand (participates in β ladder)trans-106.4124.8176.2-61-67.7000110.3V42 E43 D44 L55 I62 W64 L74 I76 S103 L104 V106 F117 F130V42-F119 HydrophobicContact CG1-CB 3.81Å; V42-F119 HydrophobicContact CG1-CD1 4.47Å; E43-F119 CarbonylContact O-C 3.51Å; E43-F119 VanDerWaalsContact O-CA 3.24Å; E43-F119 WeakPolarHBondContact O-CA 3.31Å; D44-F119 HydrophobicContact CB-CD1 4.25Å; D44-F119 HydrophobicContact CB-CE1 4.13Å; L55-F119 HydrophobicContact CD1-CD1 4.03Å; L55-F119 HydrophobicContact CD1-CD2 4.17Å; L55-F119 HydrophobicContact CD1-CE1 4.05Å; L55-F119 HydrophobicContact CD1-CE2 4.17Å; L55-F119 HydrophobicContact CD1-CG 4.08Å; L55-F119 HydrophobicContact CD1-CZ 4.11Å; I62-F119 HydrophobicContact CG2-CE2 4.44Å; W64-F119 HydrophobicContact CB-CE1 3.66Å; W64-F119 HydrophobicContact CB-CZ 4.09Å; W64-F119 AromaticContact CD1-CD1 3.9Å; W64-F119 AromaticContact CD1-CE1 3.8Å; W64-F119 HydrophobicContact CD2-CE1 4.32Å; W64-F119 HydrophobicContact CG-CD1 4.21Å; W64-F119 AromaticContact CG-CE1 3.65Å; W64-F119 HydrophobicContact CG-CE1 3.65Å; L74-F119 HydrophobicContact CD1-CE1 4.13Å; L74-F119 HydrophobicContact CD1-CZ 4.18Å; I76-F119 HydrophobicContact CD1-CE2 4Å; I76-F119 HydrophobicContact CD1-CZ 4.02Å; S103-F119 CarbonylContact C-O 3.5Å; S103-F119 VanDerWaalsContact CA-O 3.27Å; S103-F119 WeakPolarHBondContact CA-O 3.19Å; L104-F119 HydrophobicContact CB-CB 4.33Å; L104-F119 HydrophobicContact CD2-CD2 4.12Å; L104-F119 PolarHBondContact N-O 2.82Å; L104-F119 PolarHBondContact O-N 3.42Å; V106-F119 HydrophobicContact CG2-CD2 4.44Å; V106-F119 HydrophobicContact CG2-CE2 4.45Å; F117-F119 HydrophobicContact CB-CE2 3.88Å; F117-F119 HydrophobicContact CB-CZ 4.16Å; F119-F130 HydrophobicContact CB-CE1 4.46Å; F119-F130 WeakPolarHBondContact O-CZ 3.42Å
120S89.9Confident81.6Confident7 Ų749.6 Ų49.65%0.04926%0.255CS..EExtended strand (participates in β ladder)trans-117.6140.6-177.2-69.90000112E43 T45 E102 S103E43-S120 PolarHBondContact N-O 2.9Å; E43-S120 PolarHBondContact O-N 3.39Å; T45-S120 WeakPolarHBondContact OG1-CB 3.23Å; T45-S120 PolarHBondContact OG1-OG 2.92Å; E102-S120 WeakPolarHBondContact O-CA 3.09Å; S103-S120 PolarHBondContact OG-OG 2.97Å
121T87Confident81.8Confident3 Ų351.2 Ų51.22%0.01827%0.269CS..EExtended strand (participates in β ladder)trans-123.9140.7171.3730000110.5V42 T101 E102 N126 F130V42-T121 HydrophobicContact CB-CG2 4.21Å; V42-T121 HydrophobicContact CG1-CG2 3.99Å; V42-T121 HydrophobicContact CG2-CG2 3.73Å; T101-T121 WeakPolarHBondContact CA-O 3.3Å; E102-T121 PolarHBondContact N-O 2.83Å; E102-T121 VanDerWaalsContact N-O 3.12Å; E102-T121 PolarHBondContact O-N 2.96Å; T121-N126 HydrophobicContact CG2-CB 4.33Å; T121-F130 HydrophobicContact CG2-CE1 4.41Å; T121-F130 HydrophobicContact CG2-CE2 4.29Å; T121-F130 HydrophobicContact CG2-CZ 3.75Å
122F78.1Confident82.3Confident106 Ų10647.4 Ų47.447%0.46525%0.251SS..EExtended strand (participates in β ladder)trans-104125.4175.1-56.4-84.7000108.3E43 T101E43-F122 WeakPolarHBondContact OE2-CE2 3.5Å; T101-F122 HydrophobicContact CG2-CD1 4.11Å; T101-F122 HydrophobicContact CG2-CE1 3.94Å
123N67.9Low83Confident93 Ų9345.3 Ų45.350%0.49724%0.236SC..SBendtrans80.3138.6-175.9-57.5-30.6000116K100 V125K100-N123 PolarHBondContact O-N 3.23Å; N123-V125 PolarHBondContact O-N 3.28Å
124H61.8Low83.5Confident80 Ų8047.6 Ų47.637%0.3725%0.248SC..G310 helixtrans-64.12.2-169.7-74.5-56.5000117.4K100 E102 N126 S127K100-H124 VanDerWaalsContact CB-CE1 3.41Å; K100-H124 WeakPolarHBondContact CB-CE1 3.31Å; K100-H124 WeakPolarHBondContact CB-NE2 3.35Å; K100-H124 VanDerWaalsContact CD-CE1 3.44Å; K100-H124 WeakPolarHBondContact CD-CE1 3.19Å; K100-H124 WeakPolarHBondContact CD-NE2 3.43Å; K100-H124 WeakPolarHBondContact CE-NE2 3.04Å; K100-H124 WeakPolarHBondContact CG-NE2 3.48Å; K100-H124 PolarHBondContact NZ-NE2 2.9Å; E102-H124 IonicContact OE1-CE1 3.71Å; E102-H124 IonicContact OE1-ND1 3.7Å; H124-N126 PolarHBondContact O-N 3.03Å; H124-N126 VanDerWaalsContact O-N 3.12Å; H124-S127 PolarHBondContact O-N 2.84Å
125V58.8Low83.6Confident133 Ų13348.1 Ų48.181%0.80626%0.257SS*.G310 helixtrans-60.9-26.9-178.6-176.50000110.8N123N123-V125 PolarHBondContact O-N 3.28Å
126N61.7Low83.8Confident33 Ų3347.5 Ų47.518%0.17625%0.254CS..G310 helixtrans-10318.3-178-64.5-36.9000114.8S39 T121 H124 K128 L129S39-N126 PolarHBondContact OG-ND2 3.41Å; S39-N126 PolarHBondContact OG-OD1 2.8Å; T121-N126 HydrophobicContact CG2-CB 4.33Å; H124-N126 PolarHBondContact O-N 3.03Å; H124-N126 VanDerWaalsContact O-N 3.12Å; N126-K128 PolarHBondContact O-N 2.8Å; N126-L129 HydrophobicContact CB-CB 4.26Å; N126-L129 VanDerWaalsContact O-CB 3.23Å; N126-L129 WeakPolarHBondContact O-CB 3.5Å; N126-L129 PolarHBondContact O-N 3.31Å
127S63.8Low84Confident58 Ų5846 Ų4641%0.40625%0.248SC..Hα-helixtrans-59.4-21.2-177.166.20000114.2E102 H124E102-S127 WeakPolarHBondContact OE2-CA 3.37Å; H124-S127 PolarHBondContact O-N 2.84Å
128K80.1Confident84Confident158 Ų15854.6 Ų54.669%0.68728%0.28SS*.Hα-helixtrans-79.5-25.7175.5-65-175.9179.7179.40113.4N126 F130 A131 S132N126-K128 PolarHBondContact O-N 2.8Å; K128-F130 PolarHBondContact O-N 2.93Å; K128-A131 WeakPolarHBondContact O-CB 3.35Å; K128-A131 PolarHBondContact O-N 2.85Å; K128-S132 PolarHBondContact O-N 3.37Å; K128-S132 PolarHBondContact O-OG 3.38Å; K128-S132 VanDerWaalsContact O-OG 3.11Å
129L87Confident84.2Confident0 Ų054.1 Ų54.10%028%0.28CS..Hα-helixtrans-58.3-51.6-173.7-179.769.3000112.1E37 S39 V42 L55 I57 N126 A131 S132 V133E37-L129 HydrophobicContact CB-CD1 4.24Å; E37-L129 HydrophobicContact CG-CD1 3.78Å; E37-L129 VanDerWaalsContact OE1-CA 3.26Å; E37-L129 WeakPolarHBondContact OE1-CA 3.39Å; E37-L129 PolarHBondContact OE1-N 3.41Å; S39-L129 VanDerWaalsContact CB-CD2 3.44Å; V42-L129 HydrophobicContact CG2-CD2 3.89Å; L55-L129 HydrophobicContact CB-CD2 4.43Å; L55-L129 HydrophobicContact CD2-CD2 3.89Å; L55-L129 HydrophobicContact CD2-CG 4.34Å; I57-L129 HydrophobicContact CD1-CD1 3.5Å; I57-L129 HydrophobicContact CD1-CG 4.13Å; I57-L129 WeakPolarHBondContact CD1-O 3.19Å; I57-L129 HydrophobicContact CG1-CD1 4.18Å; N126-L129 HydrophobicContact CB-CB 4.26Å; N126-L129 VanDerWaalsContact O-CB 3.23Å; N126-L129 WeakPolarHBondContact O-CB 3.5Å; N126-L129 PolarHBondContact O-N 3.31Å; L129-A131 VanDerWaalsContact C-N 3.34Å; L129-S132 WeakPolarHBondContact O-CB 3.46Å; L129-S132 PolarHBondContact O-N 2.92Å; L129-V133 PolarHBondContact O-N 3.46Å
130F90.2Very high84.4Confident4 Ų454.3 Ų54.32%0.01828%0.28CS..Hα-helixtrans-74.2-28.8-177-60.3-27.9000112.7L55 T86 E102 L104 F119 T121 K128 S132 V133 L134L55-F130 HydrophobicContact CD2-CE1 4.2Å; T86-F130 HydrophobicContact CG2-CB 3.7Å; T86-F130 HydrophobicContact CG2-CG 4.45Å; E102-F130 HydrophobicContact CB-CD2 4.04Å; E102-F130 HydrophobicContact CB-CE2 3.83Å; E102-F130 WeakPolarHBondContact O-CE2 3.5Å; L104-F130 HydrophobicContact CB-CD1 3.6Å; L104-F130 HydrophobicContact CB-CD2 4.13Å; L104-F130 HydrophobicContact CB-CE1 3.51Å; L104-F130 HydrophobicContact CB-CE2 4.05Å; L104-F130 HydrophobicContact CB-CG 3.89Å; L104-F130 HydrophobicContact CB-CZ 3.73Å; L104-F130 HydrophobicContact CD1-CB 4.32Å; L104-F130 HydrophobicContact CD1-CD1 4.33Å; L104-F130 HydrophobicContact CD1-CG 4.39Å; L104-F130 HydrophobicContact CD2-CD1 3.79Å; L104-F130 HydrophobicContact CD2-CE1 3.97Å; L104-F130 HydrophobicContact CG-CD1 4.13Å; L104-F130 HydrophobicContact CG-CE1 4.34Å; F119-F130 HydrophobicContact CB-CE1 4.46Å; F119-F130 WeakPolarHBondContact O-CZ 3.42Å; T121-F130 HydrophobicContact CG2-CE1 4.41Å; T121-F130 HydrophobicContact CG2-CE2 4.29Å; T121-F130 HydrophobicContact CG2-CZ 3.75Å; K128-F130 PolarHBondContact O-N 2.93Å; F130-S132 VanDerWaalsContact C-N 3.31Å; F130-V133 PolarHBondContact O-N 3.47Å; F130-L134 PolarHBondContact O-N 3.21Å
131A89.9Confident84.7Confident49 Ų4959 Ų5941%0.40530%0.302SS..Hα-helixtrans-63.2-40.7168.800000110.8K128 L129 L134 L135K128-A131 WeakPolarHBondContact O-CB 3.35Å; K128-A131 PolarHBondContact O-N 2.85Å; L129-A131 VanDerWaalsContact C-N 3.34Å; A131-L134 PolarHBondContact O-N 2.96Å; A131-L135 WeakPolarHBondContact O-CG 3.4Å; A131-L135 PolarHBondContact O-N 2.89Å
132S91.3Very high85.1Confident24 Ų2464 Ų6417%0.16833%0.332CS..Hα-helixtrans-63.8-40.1174.6-61.90000112.4E37 K128 L129 F130 L134 L135 V136E37-S132 WeakPolarHBondContact OE2-CB 3.4Å; E37-S132 PolarHBondContact OE2-OG 2.93Å; K128-S132 PolarHBondContact O-N 3.37Å; K128-S132 PolarHBondContact O-OG 3.38Å; K128-S132 VanDerWaalsContact O-OG 3.11Å; L129-S132 WeakPolarHBondContact O-CB 3.46Å; L129-S132 PolarHBondContact O-N 2.92Å; F130-S132 VanDerWaalsContact C-N 3.31Å; S132-L134 VanDerWaalsContact C-N 3.29Å; S132-L134 PolarHBondContact O-N 3.04Å; S132-L135 PolarHBondContact O-N 3.12Å; S132-V136 WeakPolarHBondContact O-CB 3.37Å; S132-V136 WeakPolarHBondContact O-CG2 3.43Å; S132-V136 PolarHBondContact O-N 3.47Å
133V94.1Very high86Confident0 Ų059.3 Ų59.30%031%0.313CS..Hα-helixtrans-54.9-47.8174-177.90000110.9I57 I62 I84 L104 L129 F130 L135 V136 H137I57-V133 HydrophobicContact CD1-CB 4.21Å; I57-V133 HydrophobicContact CD1-CG2 3.16Å; I57-V133 HydrophobicContact CG1-CG2 3.85Å; I62-V133 HydrophobicContact CD1-CG1 3.78Å; I84-V133 HydrophobicContact CD1-CG1 3.74Å; I84-V133 HydrophobicContact CG2-CG1 4.36Å; L104-V133 HydrophobicContact CD1-CG1 4.46Å; L104-V133 HydrophobicContact CD2-CB 4.38Å; L104-V133 HydrophobicContact CD2-CG1 4.23Å; L104-V133 HydrophobicContact CD2-CG2 3.82Å; L129-V133 PolarHBondContact O-N 3.46Å; F130-V133 PolarHBondContact O-N 3.47Å; V133-L135 PolarHBondContact O-N 3.05Å; V133-V136 PolarHBondContact O-N 3.39Å; V133-H137 VanDerWaalsContact O-CB 3.31Å; V133-H137 WeakPolarHBondContact O-CB 3.33Å; V133-H137 PolarHBondContact O-N 3.38Å
134L93.9Very high87.3Confident69 Ų6957.1 Ų57.136%0.36130%0.303SS..Hα-helixtrans-62.8-42.5-179.7-71.8160.7000111.8I84 T86 F130 A131 S132 R138I84-L134 HydrophobicContact CB-CD2 3.95Å; I84-L134 HydrophobicContact CG2-CD2 3.74Å; I84-L134 HydrophobicContact CG2-CG 4.27Å; T86-L134 HydrophobicContact CG2-CD1 4.04Å; F130-L134 PolarHBondContact O-N 3.21Å; A131-L134 PolarHBondContact O-N 2.96Å; S132-L134 VanDerWaalsContact C-N 3.29Å; S132-L134 PolarHBondContact O-N 3.04Å; L134-R138 WeakPolarHBondContact O-CB 3.41Å; L134-R138 PolarHBondContact O-N 3.3Å
135L94.3Very high88.9Confident109 Ų10955.6 Ų55.657%0.57130%0.297SS*.Hα-helixtrans-64.2-46.3177.8-71.2171.4000111.7A131 S132 V133 R138 A139 I276A131-L135 WeakPolarHBondContact O-CG 3.4Å; A131-L135 PolarHBondContact O-N 2.89Å; S132-L135 PolarHBondContact O-N 3.12Å; V133-L135 PolarHBondContact O-N 3.05Å; L135-R138 PolarHBondContact O-N 3.48Å; L135-A139 WeakPolarHBondContact O-CB 3.27Å; L135-A139 PolarHBondContact O-N 3.35Å; L135-I276 HydrophobicContact CB-CD1 4.33Å
136V96Very high90.8Very high0 Ų049.5 Ų49.50%026%0.26CS..Hα-helixtrans-64.2-47178.8179.60000111.1V36 I57 T58 F78 S132 V133 R138 A139 Y140 V274 I276V36-V136 HydrophobicContact CB-CG2 4.06Å; V36-V136 HydrophobicContact CG1-CG2 3.71Å; V36-V136 HydrophobicContact CG2-CG2 3.89Å; I57-V136 HydrophobicContact CG2-CB 4.35Å; I57-V136 HydrophobicContact CG2-CG1 4.48Å; I57-V136 HydrophobicContact CG2-CG2 4.03Å; T58-V136 WeakPolarHBondContact O-CG1 3.15Å; F78-V136 HydrophobicContact CD2-CG1 4.21Å; F78-V136 HydrophobicContact CE2-CB 4.4Å; F78-V136 HydrophobicContact CE2-CG1 3.36Å; F78-V136 HydrophobicContact CZ-CB 4.19Å; F78-V136 HydrophobicContact CZ-CG1 3.61Å; S132-V136 WeakPolarHBondContact O-CB 3.37Å; S132-V136 WeakPolarHBondContact O-CG2 3.43Å; S132-V136 PolarHBondContact O-N 3.47Å; V133-V136 PolarHBondContact O-N 3.39Å; V136-R138 VanDerWaalsContact C-N 3.31Å; V136-R138 PolarHBondContact O-N 2.94Å; V136-A139 PolarHBondContact O-N 2.98Å; V136-Y140 WeakPolarHBondContact O-CB 3.5Å; V136-Y140 PolarHBondContact O-N 2.98Å; V136-V274 HydrophobicContact CG1-CG1 4.2Å; V136-I276 HydrophobicContact CB-CD1 4.27Å; V136-I276 HydrophobicContact CG2-CD1 3.77Å; V136-I276 HydrophobicContact CG2-CG1 3.92Å
137H96.3Very high92.4Very high15 Ų1548 Ų487%0.06925%0.252CS..Hα-helixtrans-58.8-44.3178.1-178.3-105000111.4F78 V81 I84 V133 Y140 E141F78-H137 HydrophobicContact CD1-CB 4.25Å; F78-H137 AromaticContact CD1-CD2 3.79Å; F78-H137 HydrophobicContact CE1-CB 4.32Å; V81-H137 WeakPolarHBondContact CG1-NE2 3.42Å; I84-H137 HydrophobicContact CD1-CB 3.59Å; V133-H137 VanDerWaalsContact O-CB 3.31Å; V133-H137 WeakPolarHBondContact O-CB 3.33Å; V133-H137 PolarHBondContact O-N 3.38Å; H137-Y140 WeakPolarHBondContact O-CB 3.48Å; H137-Y140 PolarHBondContact O-N 3.19Å; H137-E141 IonicContact CE1-OE1 3.59Å; H137-E141 PolarHBondContact CE1-OE1 2.83Å; H137-E141 VanDerWaalsContact CE1-OE1 3.25Å; H137-E141 IonicContact CE1-OE2 2.96Å; H137-E141 PolarHBondContact CE1-OE2 3.02Å; H137-E141 IonicContact ND1-OE2 2.82Å; H137-E141 PolarHBondContact ND1-OE2 3.45Å; H137-E141 IonicContact NE2-OE1 3.5Å; H137-E141 WeakPolarHBondContact O-CG 3.33Å; H137-E141 PolarHBondContact O-N 3.16Å
138R95.9Very high93.9Very high179 Ų17946.9 Ų46.968%0.67524%0.24SC*.Hα-helixtrans-63.5-45.1176.5-176.1172.6-177.6150.21.1112.2L134 L135 V136 Y140 E141 T142L134-R138 WeakPolarHBondContact O-CB 3.41Å; L134-R138 PolarHBondContact O-N 3.3Å; L135-R138 PolarHBondContact O-N 3.48Å; V136-R138 VanDerWaalsContact C-N 3.31Å; V136-R138 PolarHBondContact O-N 2.94Å; R138-Y140 PolarHBondContact O-N 3.07Å; R138-E141 PolarHBondContact O-N 2.91Å; R138-T142 HydrophobicContact CG-CG2 4.49Å; R138-T142 WeakPolarHBondContact O-CG2 3.25Å; R138-T142 PolarHBondContact O-N 2.86Å; R138-T142 PolarHBondContact O-OG1 3.24Å; R138-T142 VanDerWaalsContact O-OG1 3.09Å
139A96.7Very high94.6Very high16 Ų1640.4 Ų40.413%0.13221%0.214CC..Hα-helixtrans-62.9-34.4176.700000111.8L135 V136 T142 S143 V274 I276L135-A139 WeakPolarHBondContact O-CB 3.27Å; L135-A139 PolarHBondContact O-N 3.35Å; V136-A139 PolarHBondContact O-N 2.98Å; A139-T142 PolarHBondContact O-OG1 3.38Å; A139-S143 WeakPolarHBondContact O-CB 3.17Å; A139-S143 PolarHBondContact O-N 2.89Å; A139-S143 PolarHBondContact O-OG 2.77Å; A139-V274 HydrophobicContact CB-CG1 4Å; A139-I276 HydrophobicContact CB-CD1 3.92Å
140Y97.6Very high95Very high4 Ų444.1 Ų44.12%0.01623%0.23CC..Hα-helixtrans-61.1-62.5169.6-176.3-87.5000109.4D15 L60 F78 N79 V136 H137 R138 T142 S143 R147 V274D15-Y140 HydrophobicContact CB-CE2 3.94Å; D15-Y140 PolarHBondContact OD2-OH 3.43Å; L60-Y140 HydrophobicContact CD2-CE2 4.15Å; F78-Y140 HydrophobicContact CB-CD1 3.59Å; F78-Y140 HydrophobicContact CB-CD2 3.96Å; F78-Y140 HydrophobicContact CB-CE1 3.88Å; F78-Y140 HydrophobicContact CB-CE2 4.23Å; F78-Y140 HydrophobicContact CB-CG 3.67Å; F78-Y140 HydrophobicContact CD2-CD2 4.27Å; F78-Y140 HydrophobicContact CD2-CG 4.37Å; F78-Y140 HydrophobicContact CG-CG 4.36Å; N79-Y140 HydrophobicContact CB-CE1 4.04Å; N79-Y140 WeakPolarHBondContact CB-OH 3.39Å; V136-Y140 WeakPolarHBondContact O-CB 3.5Å; V136-Y140 PolarHBondContact O-N 2.98Å; H137-Y140 WeakPolarHBondContact O-CB 3.48Å; H137-Y140 PolarHBondContact O-N 3.19Å; R138-Y140 PolarHBondContact O-N 3.07Å; Y140-T142 VanDerWaalsContact C-N 3.27Å; Y140-T142 PolarHBondContact O-N 2.83Å; Y140-T142 VanDerWaalsContact O-N 3.09Å; Y140-S143 PolarHBondContact O-N 3.4Å; Y140-S143 PolarHBondContact O-OG 3.23Å; Y140-R147 VanDerWaalsContact C-NH2 3.29Å; Y140-R147 VanDerWaalsContact CD1-NH2 3.29Å; Y140-R147 VanDerWaalsContact CE1-NH2 3.26Å; Y140-R147 VanDerWaalsContact CE2-CZ 3.49Å; Y140-R147 VanDerWaalsContact CZ-NE 3.28Å; Y140-R147 VanDerWaalsContact CZ-NH2 3.34Å; Y140-R147 PolarHBondContact O-NH1 3.36Å; Y140-R147 PolarHBondContact O-NH2 2.84Å; Y140-R147 PolarHBondContact OH-NE 2.82Å; Y140-V274 HydrophobicContact CD2-CG2 3.87Å; Y140-V274 HydrophobicContact CG-CG2 4.49Å
141E96.1Very high95.2Very high105 Ų10549 Ų4949%0.49125%0.254SS..Hα-helixtrans-52.8-38.3-176.9-70.8-178.712800114.5H137 R138 S143 T144H137-E141 IonicContact CE1-OE1 3.59Å; H137-E141 PolarHBondContact CE1-OE1 2.83Å; H137-E141 VanDerWaalsContact CE1-OE1 3.25Å; H137-E141 IonicContact CE1-OE2 2.96Å; H137-E141 PolarHBondContact CE1-OE2 3.02Å; H137-E141 IonicContact ND1-OE2 2.82Å; H137-E141 PolarHBondContact ND1-OE2 3.45Å; H137-E141 IonicContact NE2-OE1 3.5Å; H137-E141 WeakPolarHBondContact O-CG 3.33Å; H137-E141 PolarHBondContact O-N 3.16Å; R138-E141 PolarHBondContact O-N 2.91Å; E141-S143 VanDerWaalsContact C-N 3.35Å; E141-S143 PolarHBondContact O-N 3.06Å; E141-T144 VanDerWaalsContact O-CG2 3.23Å; E141-T144 WeakPolarHBondContact O-CG2 3.29Å
142T95.8Very high95.3Very high108 Ų10856.2 Ų56.266%0.66327%0.271SS*.Hα-helixtrans-80-12.7-177.758.40000114.5R138 A139 Y140R138-T142 HydrophobicContact CG-CG2 4.49Å; R138-T142 WeakPolarHBondContact O-CG2 3.25Å; R138-T142 PolarHBondContact O-N 2.86Å; R138-T142 PolarHBondContact O-OG1 3.24Å; R138-T142 VanDerWaalsContact O-OG1 3.09Å; A139-T142 PolarHBondContact O-OG1 3.38Å; Y140-T142 VanDerWaalsContact C-N 3.27Å; Y140-T142 PolarHBondContact O-N 2.83Å; Y140-T142 VanDerWaalsContact O-N 3.09Å
143S96.6Very high95.1Very high9 Ų956.1 Ų56.16%0.06327%0.27CS..THydrogen-bonded Turntrans-105.420.1-176.458.30000113.8A139 Y140 E141 L145 Y146 R147 G273A139-S143 WeakPolarHBondContact O-CB 3.17Å; A139-S143 PolarHBondContact O-N 2.89Å; A139-S143 PolarHBondContact O-OG 2.77Å; Y140-S143 PolarHBondContact O-N 3.4Å; Y140-S143 PolarHBondContact O-OG 3.23Å; E141-S143 VanDerWaalsContact C-N 3.35Å; E141-S143 PolarHBondContact O-N 3.06Å; S143-L145 PolarHBondContact O-N 3.11Å; S143-L145 VanDerWaalsContact O-N 3.08Å; S143-Y146 WeakPolarHBondContact O-CB 3.44Å; S143-Y146 VanDerWaalsContact O-CD2 3.3Å; S143-Y146 WeakPolarHBondContact O-CD2 3.38Å; S143-Y146 PolarHBondContact O-N 3.46Å; S143-Y146 VanDerWaalsContact O-N 3.13Å; S143-R147 VanDerWaalsContact C-NH1 3.34Å; S143-R147 PolarHBondContact O-NH1 3.25Å; S143-R147 VanDerWaalsContact O-NH1 3.07Å; S143-R147 PolarHBondContact OG-NH1 3.1Å; S143-G273 WeakPolarHBondContact CB-O 3.45Å; S143-G273 PolarHBondContact OG-O 3.42Å
144T95.9Very high94.8Very high46 Ų4659.8 Ų59.828%0.28230%0.296SS..G310 helixtrans-55.7-30.3-175.252.30000114.5E141 Y146 R147 E148E141-T144 VanDerWaalsContact O-CG2 3.23Å; E141-T144 WeakPolarHBondContact O-CG2 3.29Å; T144-Y146 PolarHBondContact O-N 2.84Å; T144-Y146 VanDerWaalsContact O-N 3.09Å; T144-R147 CarbonylContact O-C 3.56Å; T144-R147 PolarHBondContact O-N 2.74Å; T144-E148 WeakPolarHBondContact O-CB 3.41Å; T144-E148 PolarHBondContact O-N 3.23Å
145L95.5Very high94.6Very high49 Ų4956.8 Ų56.826%0.25728%0.281SS..G310 helixtrans-61.1-18.5179.3-75.7172.3000114.7S143 R147 K150 V155 L164S143-L145 PolarHBondContact O-N 3.11Å; S143-L145 VanDerWaalsContact O-N 3.08Å; L145-R147 VanDerWaalsContact C-N 3.25Å; L145-R147 PolarHBondContact O-N 3.27Å; L145-K150 HydrophobicContact CD2-CB 4.38Å; L145-K150 HydrophobicContact CD2-CG 3.67Å; L145-V155 HydrophobicContact CD1-CG1 4.46Å; L145-V155 HydrophobicContact CD2-CG1 4.24Å; L145-L164 HydrophobicContact CB-CD1 3.8Å; L145-L164 HydrophobicContact CB-CD2 3.92Å; L145-L164 HydrophobicContact CD1-CD2 3.82Å
146Y97.4Very high94.5Very high4 Ų451.9 Ų51.92%0.01626%0.255CS..G310 helixtrans-71.8-20.4173-75.8-99.4000113.3S143 T144 L164 P165 L166 I194 P211 I271 G273S143-Y146 WeakPolarHBondContact O-CB 3.44Å; S143-Y146 VanDerWaalsContact O-CD2 3.3Å; S143-Y146 WeakPolarHBondContact O-CD2 3.38Å; S143-Y146 PolarHBondContact O-N 3.46Å; S143-Y146 VanDerWaalsContact O-N 3.13Å; T144-Y146 PolarHBondContact O-N 2.84Å; T144-Y146 VanDerWaalsContact O-N 3.09Å; Y146-L164 HydrophobicContact CD1-CD1 4.33Å; Y146-L164 HydrophobicContact CD2-CB 4.42Å; Y146-L164 HydrophobicContact CD2-CD1 3.57Å; Y146-L164 HydrophobicContact CD2-CG 4.49Å; Y146-L164 HydrophobicContact CE1-CB 4.33Å; Y146-L164 HydrophobicContact CE1-CD1 4.32Å; Y146-L164 HydrophobicContact CE2-CB 3.55Å; Y146-L164 HydrophobicContact CE2-CD1 3.58Å; Y146-L164 HydrophobicContact CE2-CG 4.05Å; Y146-L164 HydrophobicContact CG-CD1 3.97Å; Y146-L164 VanDerWaalsContact CZ-CB 3.48Å; Y146-L164 WeakPolarHBondContact OH-CB 3.2Å; Y146-P165 WeakPolarHBondContact OH-CD 3.27Å; Y146-L166 HydrophobicContact CE1-CB 4.07Å; Y146-L166 PolarHBondContact OH-N 3.07Å; Y146-I194 HydrophobicContact CD1-CD1 3.7Å; Y146-I194 HydrophobicContact CD1-CG1 4.21Å; Y146-I194 HydrophobicContact CD1-CG2 3.8Å; Y146-I194 HydrophobicContact CE1-CD1 3.31Å; Y146-I194 HydrophobicContact CE1-CG1 4.27Å; Y146-I194 HydrophobicContact CG-CG2 4.43Å; Y146-P211 WeakPolarHBondContact O-CB 3.48Å; Y146-I271 HydrophobicContact CD1-CG2 4.08Å; Y146-I271 HydrophobicContact CE1-CG2 3.97Å; Y146-G273 VanDerWaalsContact CG-CA 3.49Å
147R96Very high94.2Very high1 Ų156 Ų560%0.00428%0.275CS..THydrogen-bonded Turntrans-146.713.1-163.256.3-178.5-166.8-73-16.4114.2Y140 S143 T144 L145 L213 H214 F272Y140-R147 VanDerWaalsContact C-NH2 3.29Å; Y140-R147 VanDerWaalsContact CD1-NH2 3.29Å; Y140-R147 VanDerWaalsContact CE1-NH2 3.26Å; Y140-R147 VanDerWaalsContact CE2-CZ 3.49Å; Y140-R147 VanDerWaalsContact CZ-NE 3.28Å; Y140-R147 VanDerWaalsContact CZ-NH2 3.34Å; Y140-R147 PolarHBondContact O-NH1 3.36Å; Y140-R147 PolarHBondContact O-NH2 2.84Å; Y140-R147 PolarHBondContact OH-NE 2.82Å; S143-R147 VanDerWaalsContact C-NH1 3.34Å; S143-R147 PolarHBondContact O-NH1 3.25Å; S143-R147 VanDerWaalsContact O-NH1 3.07Å; S143-R147 PolarHBondContact OG-NH1 3.1Å; T144-R147 CarbonylContact O-C 3.56Å; T144-R147 PolarHBondContact O-N 2.74Å; L145-R147 VanDerWaalsContact C-N 3.25Å; L145-R147 PolarHBondContact O-N 3.27Å; R147-L213 HydrophobicContact CB-CD2 3.49Å; R147-L213 VanDerWaalsContact CB-CD2 3.49Å; R147-H214 PolarHBondContact O-CD2 3.23Å; R147-H214 VanDerWaalsContact O-CD2 3.27Å; R147-H214 PolarHBondContact O-NE2 3.42Å; R147-F272 PolarHBondContact NH1-O 3.22Å
148E95Very high93.9Very high36 Ų3662.6 Ų62.617%0.16831%0.306CS..SBendtrans-130.6132.9174.8-69.6-64.2159.100109.5R16 T144 K150 P211R16-E148 IonicContact CZ-OE1 2.79Å; R16-E148 VanDerWaalsContact CZ-OE1 3.25Å; R16-E148 IonicContact NH1-OE1 2.81Å; R16-E148 PolarHBondContact NH1-OE1 3.37Å; R16-E148 IonicContact NH2-OE1 2.82Å; R16-E148 PolarHBondContact NH2-OE1 3.41Å; R16-E148 IonicContact NH2-OE2 3.73Å; T144-E148 WeakPolarHBondContact O-CB 3.41Å; T144-E148 PolarHBondContact O-N 3.23Å; E148-K150 PolarHBondContact O-N 2.8Å; E148-P211 WeakPolarHBondContact O-CG 3.45Å
149V96Very high93.6Very high22 Ų2257 Ų5713%0.13329%0.29CS..  trans-71.1127.6171.4-179.90000108.1S209 L210 H214V149-S209 WeakPolarHBondContact CA-O 3.29Å; V149-L210 HydrophobicContact CG2-CD1 3.62Å; V149-H214 HydrophobicContact CG2-CB 3.72Å
150K95.3Very high93.4Very high78 Ų7863.7 Ų63.734%0.33932%0.316SS..EExtended strand (participates in β ladder)trans-121.8133.6177.1-62.9-63-177.8-176.40110.3L145 E148 S209L145-K150 HydrophobicContact CD2-CB 4.38Å; L145-K150 HydrophobicContact CD2-CG 3.67Å; E148-K150 PolarHBondContact O-N 2.8Å; K150-S209 PolarHBondContact N-O 3.09Å; K150-S209 PolarHBondContact O-N 2.89Å
151M93Very high93.3Very high107 Ų10764.3 Ų64.353%0.52732%0.319SS..EExtended strand (participates in β ladder)trans-115.2143.1171.3-65.1179.8-78.600108.2S153 S207 F242M151-S153 VanDerWaalsContact C-N 3.28Å; M151-S153 PolarHBondContact O-N 3.06Å; M151-S207 CarbonylContact C-O 3.59Å; M151-S207 WeakPolarHBondContact CA-O 3.11Å; M151-F242 HydrophobicContact SD-CE1 4.27Å; M151-F242 HydrophobicContact SD-CZ 4.27Å
152R92Very high93.3Very high199 Ų19965.7 Ų65.775%0.75132%0.32SS*.SBendtrans53.842.2179.7-56.8-179.4179.8148.4-0.6113.9M205 S207R152-M205 WeakPolarHBondContact CA-O 3.32Å; R152-M205 WeakPolarHBondContact CB-O 3.36Å; R152-S207 PolarHBondContact N-O 3.39Å
153S87.1Confident93.3Very high23 Ų2364.6 Ų64.616%0.16131%0.31CS..  trans-99.3148.8177.955.50000111.6M151 V155 S207M151-S153 VanDerWaalsContact C-N 3.28Å; M151-S153 PolarHBondContact O-N 3.06Å; S153-V155 PolarHBondContact O-N 3.28Å; S153-V155 WeakPolarHBondContact OG-CG1 3.25Å; S153-S207 PolarHBondContact N-OG 3.15Å; S153-S207 PolarHBondContact O-OG 3.47Å
154S87.7Confident93.3Very high77 Ų7765.4 Ų65.454%0.53831%0.313SS..THydrogen-bonded Turntrans-75.869.1172.4-173.30000111
155V90.8Very high93.2Very high6 Ų667.9 Ų67.94%0.03633%0.33CS..THydrogen-bonded Turntrans-97.1-26.5176-71.40000112.1L145 S153 L161 R162 V197L145-V155 HydrophobicContact CD1-CG1 4.46Å; L145-V155 HydrophobicContact CD2-CG1 4.24Å; S153-V155 PolarHBondContact O-N 3.28Å; S153-V155 WeakPolarHBondContact OG-CG1 3.25Å; V155-L161 HydrophobicContact CB-CD1 4.19Å; V155-R162 PolarHBondContact O-N 2.96Å; V155-V197 HydrophobicContact CG2-CG1 3.91Å
156V91.9Very high93.2Very high6 Ų669 Ų694%0.03634%0.336CS..EExtended strand (participates in β ladder)trans-107.9140.4176178.10000108.6K160 L161 V197 F199 E204V156-K160 WeakPolarHBondContact CA-O 3.27Å; V156-L161 HydrophobicContact CG2-CD1 4.31Å; V156-V197 HydrophobicContact CG2-CG1 4.25Å; V156-F199 HydrophobicContact CB-CD1 4.49Å; V156-F199 HydrophobicContact CB-CG 4.36Å; V156-F199 HydrophobicContact CG1-CD1 4.35Å; V156-F199 HydrophobicContact CG1-CD2 4.08Å; V156-F199 HydrophobicContact CG1-CE1 4.3Å; V156-F199 HydrophobicContact CG1-CE2 4.04Å; V156-F199 HydrophobicContact CG1-CG 4.23Å; V156-F199 HydrophobicContact CG1-CZ 4.15Å; V156-F199 HydrophobicContact CG2-CB 4.26Å; V156-F199 HydrophobicContact CG2-CD1 3.66Å; V156-F199 HydrophobicContact CG2-CE1 4.1Å; V156-F199 HydrophobicContact CG2-CG 3.93Å; V156-E204 HydrophobicContact CG1-CG 4.29Å
157M89.5Confident93.2Very high85 Ų8569.2 Ų69.242%0.41934%0.337SS..EExtended strand (participates in β ladder)trans-142.7125.6172.3-177.7-172.578.600108.2D159 K160 R162M157-D159 VanDerWaalsContact C-N 3.33Å; M157-D159 PolarHBondContact O-N 3.48Å; M157-K160 PolarHBondContact N-O 3.44Å; M157-K160 PolarHBondContact O-N 2.99Å; M157-R162 PolarHBondContact SD-NH2 2.91Å
158Q90.4Very high93.3Very high154 Ų15475.2 Ų75.272%0.7237%0.365SS*.THydrogen-bonded Turntrans55.950178.6-62.4173.4-20.900111.2K160 E204Q158-K160 PolarHBondContact O-N 3.46Å; Q158-E204 PolarHBondContact N-OE2 2.77Å; Q158-E204 VanDerWaalsContact N-OE2 3.12Å
159D88.8Confident93.4Very high62 Ų6277.7 Ų77.733%0.33238%0.377SS..THydrogen-bonded Turntrans59.619.2177.2-166.849.3000114.4M157 R172 F199 E204M157-D159 VanDerWaalsContact C-N 3.33Å; M157-D159 PolarHBondContact O-N 3.48Å; D159-R172 VanDerWaalsContact CG-NH1 3.34Å; D159-R172 PolarHBondContact O-NH1 3.25Å; D159-R172 IonicContact OD1-CZ 3.79Å; D159-R172 IonicContact OD1-NH1 2.93Å; D159-R172 IonicContact OD1-NH2 3.44Å; D159-R172 PolarHBondContact OD1-NH2 3.43Å; D159-R172 IonicContact OD2-CZ 3.68Å; D159-R172 VanDerWaalsContact OD2-CZ 3.23Å; D159-R172 IonicContact OD2-NH1 2.78Å; D159-R172 PolarHBondContact OD2-NH1 3.19Å; D159-R172 IonicContact OD2-NH2 3.27Å; D159-R172 PolarHBondContact OD2-NH2 3.48Å; D159-F199 WeakPolarHBondContact OD1-CE2 3.39Å; D159-F199 VanDerWaalsContact OD1-CZ 3.29Å; D159-F199 WeakPolarHBondContact OD1-CZ 3.46Å; D159-E204 PolarHBondContact N-OE1 2.94Å
160K93.4Very high93.5Very high157 Ų15781.3 Ų81.368%0.68339%0.392SS*.EExtended strand (participates in β ladder)trans-125.9134.1177-68.4-177.1-178.9179.10111.4V156 M157 Q158V156-K160 WeakPolarHBondContact CA-O 3.27Å; M157-K160 PolarHBondContact N-O 3.44Å; M157-K160 PolarHBondContact O-N 2.99Å; Q158-K160 PolarHBondContact O-N 3.46Å
161L95.1Very high93.6Very high16 Ų1681.6 Ų81.68%0.08439%0.393CS..EExtended strand (participates in β ladder)trans-70.2130.5172.7-18063.7000109.8V155 V156 L163 I190 T192 V197V155-L161 HydrophobicContact CB-CD1 4.19Å; V156-L161 HydrophobicContact CG2-CD1 4.31Å; L161-L163 HydrophobicContact CD2-CD2 3.87Å; L161-L163 HydrophobicContact CG-CD2 4.26Å; L161-L163 PolarHBondContact O-N 2.81Å; L161-L163 VanDerWaalsContact O-N 3.17Å; L161-I190 HydrophobicContact CB-CB 4.44Å; L161-I190 HydrophobicContact CB-CG1 4.31Å; L161-I190 HydrophobicContact CB-CG2 4Å; L161-I190 HydrophobicContact CD2-CB 4.1Å; L161-I190 HydrophobicContact CD2-CG2 3.49Å; L161-I190 VanDerWaalsContact CD2-CG2 3.49Å; L161-I190 HydrophobicContact CG-CG2 4.37Å; L161-T192 HydrophobicContact CD2-CG2 3.69Å; L161-V197 HydrophobicContact CD1-CB 4.23Å; L161-V197 HydrophobicContact CD1-CG1 4.14Å; L161-V197 HydrophobicContact CD1-CG2 3.85Å; L161-V197 HydrophobicContact CD2-CG2 4.16Å
162R95.4Very high93.8Very high134 Ų13480.3 Ų80.351%0.50638%0.383SS..  trans-76.199.1165.5-67.3-177.2178.4178.8-0.2108.7V155 M157V155-R162 PolarHBondContact O-N 2.96Å; M157-R162 PolarHBondContact SD-NH2 2.91Å
163L96.1Very high94Very high86 Ų8671.1 Ų71.145%0.4535%0.348SS..  trans-64.9138.8179.2-63.6172.8000111.1L161 E167 Q169 T192L161-L163 HydrophobicContact CD2-CD2 3.87Å; L161-L163 HydrophobicContact CG-CD2 4.26Å; L161-L163 PolarHBondContact O-N 2.81Å; L161-L163 VanDerWaalsContact O-N 3.17Å; L163-E167 WeakPolarHBondContact CA-OE2 3.19Å; L163-E167 HydrophobicContact CB-CB 4.45Å; L163-E167 HydrophobicContact CD2-CB 4.41Å; L163-E167 HydrophobicContact CD2-CG 3.87Å; L163-Q169 HydrophobicContact CD2-CB 4.23Å; L163-T192 HydrophobicContact CD2-CG2 4.33Å
164L96.1Very high94.5Very high25 Ų2573.3 Ų73.313%0.13136%0.359CS..  trans-74161.9168.8-49.9171.8000110.3L145 Y146 L166 E167L145-L164 HydrophobicContact CB-CD1 3.8Å; L145-L164 HydrophobicContact CB-CD2 3.92Å; L145-L164 HydrophobicContact CD1-CD2 3.82Å; Y146-L164 HydrophobicContact CD1-CD1 4.33Å; Y146-L164 HydrophobicContact CD2-CB 4.42Å; Y146-L164 HydrophobicContact CD2-CD1 3.57Å; Y146-L164 HydrophobicContact CD2-CG 4.49Å; Y146-L164 HydrophobicContact CE1-CB 4.33Å; Y146-L164 HydrophobicContact CE1-CD1 4.32Å; Y146-L164 HydrophobicContact CE2-CB 3.55Å; Y146-L164 HydrophobicContact CE2-CD1 3.58Å; Y146-L164 HydrophobicContact CE2-CG 4.05Å; Y146-L164 HydrophobicContact CG-CD1 3.97Å; Y146-L164 VanDerWaalsContact CZ-CB 3.48Å; Y146-L164 WeakPolarHBondContact OH-CB 3.2Å; L164-L166 VanDerWaalsContact C-N 3.3Å; L164-L166 PolarHBondContact O-N 3.45Å; L164-L166 VanDerWaalsContact O-N 3.13Å; L164-E167 HydrophobicContact CB-CB 3.85Å; L164-E167 HydrophobicContact CG-CB 4.49Å; L164-E167 WeakPolarHBondContact CG-OE2 3.45Å; L164-E167 PolarHBondContact N-OE2 2.63Å; L164-E167 WeakPolarHBondContact O-CB 3.48Å; L164-E167 PolarHBondContact O-N 2.98Å
165P95.6Very high94.9Very high99 Ų9971.1 Ų71.164%0.64335%0.348SS*.THydrogen-bonded Turntrans-52.5-37.6-173.8-32.436.2000116.9Y146 E275Y146-P165 WeakPolarHBondContact OH-CD 3.27Å; P165-E275 WeakPolarHBondContact CB-OE2 3.33Å; P165-E275 WeakPolarHBondContact CG-OE2 3.36Å
166L95.6Very high95.1Very high72 Ų7270.9 Ų70.938%0.37735%0.346SS..THydrogen-bonded Turntrans-104.613.2-179.8-53.9175.8000111.9Y146 L164 N193 I194 I271 E275Y146-L166 HydrophobicContact CE1-CB 4.07Å; Y146-L166 PolarHBondContact OH-N 3.07Å; L164-L166 VanDerWaalsContact C-N 3.3Å; L164-L166 PolarHBondContact O-N 3.45Å; L164-L166 VanDerWaalsContact O-N 3.13Å; L166-N193 PolarHBondContact O-ND2 3.27Å; L166-I194 WeakPolarHBondContact O-CD1 3.23Å; L166-I271 HydrophobicContact CB-CG2 4.23Å; L166-I271 HydrophobicContact CD1-CG2 3.69Å; L166-E275 HydrophobicContact CD1-CG 3.95Å; L166-E275 WeakPolarHBondContact CD2-OE1 3.41Å; L166-E275 HydrophobicContact CG-CG 4.28Å
167E97.4Very high95.3Very high9 Ų975.4 Ų75.44%0.04236%0.363CS..  trans-96.3125.1-176.8-171.1177.3-150.600112.1L163 L164 T192 N193 I194 R195L163-E167 WeakPolarHBondContact CA-OE2 3.19Å; L163-E167 HydrophobicContact CB-CB 4.45Å; L163-E167 HydrophobicContact CD2-CB 4.41Å; L163-E167 HydrophobicContact CD2-CG 3.87Å; L164-E167 HydrophobicContact CB-CB 3.85Å; L164-E167 HydrophobicContact CG-CB 4.49Å; L164-E167 WeakPolarHBondContact CG-OE2 3.45Å; L164-E167 PolarHBondContact N-OE2 2.63Å; L164-E167 WeakPolarHBondContact O-CB 3.48Å; L164-E167 PolarHBondContact O-N 2.98Å; E167-T192 HydrophobicContact CG-CG2 3.81Å; E167-T192 WeakPolarHBondContact CG-OG1 3.38Å; E167-T192 WeakPolarHBondContact OE1-CB 3.18Å; E167-T192 WeakPolarHBondContact OE1-CG2 3.48Å; E167-T192 PolarHBondContact OE1-OG1 3.44Å; E167-N193 WeakPolarHBondContact CA-OD1 3.35Å; E167-I194 HydrophobicContact CB-CD1 3.78Å; E167-I194 HydrophobicContact CG-CD1 4.19Å; E167-R195 WeakPolarHBondContact OE1-CG 3.37Å; E167-R195 IonicContact OE1-CZ 3.92Å; E167-R195 IonicContact OE1-NE 2.87Å; E167-R195 PolarHBondContact OE1-NE 3.36Å; E167-R195 IonicContact OE1-NH2 2.77Å; E167-R195 IonicContact OE2-CZ 3.9Å; E167-R195 IonicContact OE2-NE 3.57Å; E167-R195 PolarHBondContact OE2-NE 3.01Å; E167-R195 IonicContact OE2-NH2 3.42Å; E167-R195 PolarHBondContact OE2-NH2 3.13Å
168E97.3Very high95.6Very high126 Ų12671.7 Ų71.759%0.58935%0.345SS*.  trans-118.2124176.7-66.5-177.4179.900109.8Q170 T192 N193E168-Q170 PolarHBondContact O-N 3.08Å; E168-T192 CarbonylContact O-C 3.47Å; E168-T192 VanDerWaalsContact O-CA 3.23Å; E168-T192 WeakPolarHBondContact O-CA 3.24Å; E168-T192 VanDerWaalsContact O-CB 3.31Å; E168-T192 WeakPolarHBondContact O-CB 3.41Å; E168-N193 PolarHBondContact N-OD1 2.95Å; E168-N193 PolarHBondContact O-N 3.1Å; E168-N193 VanDerWaalsContact O-N 3.1Å; E168-N193 PolarHBondContact O-OD1 3.09Å
169Q97.4Very high95.7Very high88 Ų8866 Ų6641%0.41132%0.319SS..EExtended strand (participates in β ladder)trans-70.9121.7174.2-176.1177.1-51.500110.5L163 I190L163-Q169 HydrophobicContact CD2-CB 4.23Å; Q169-I190 HydrophobicContact CG-CG2 3.76Å
170Q97.2Very high95.4Very high98 Ų9869.5 Ų69.546%0.45833%0.329SS..EExtended strand (participates in β ladder)trans-92.4-44.7179.3-61.9-63.3-49.600111.4E168 I191 L262E168-Q170 PolarHBondContact O-N 3.08Å; Q170-I191 PolarHBondContact N-O 3.16Å; Q170-L262 HydrophobicContact CB-CD1 4.33Å; Q170-L262 HydrophobicContact CG-CD1 4.24Å; Q170-L262 HydrophobicContact CG-CD2 4.14Å
171K97.5Very high94.4Very high85 Ų8564.9 Ų64.937%0.3732%0.316SS..EExtended strand (participates in β ladder)trans-153.8141.8-176.7-165.7170.3-176175.30111.7V173 I191 L258K171-V173 HydrophobicContact CD-CG2 4.18Å; K171-V173 HydrophobicContact CG-CG2 4.03Å; K171-I191 HydrophobicContact CB-CB 4.42Å; K171-I191 PolarHBondContact N-O 2.81Å; K171-I191 VanDerWaalsContact N-O 3.11Å; K171-I191 PolarHBondContact O-N 2.97Å; K171-L258 HydrophobicContact CB-CD2 3.83Å; K171-L258 HydrophobicContact CD-CD2 3.62Å; K171-L258 HydrophobicContact CG-CD2 4.36Å
172R97.1Very high93.3Very high80 Ų8070.1 Ų70.130%0.30235%0.345SS..EExtended strand (participates in β ladder)trans-105.6138164.9174169.3177.1158.60.6109.2D159 D174 F189 I190D159-R172 VanDerWaalsContact CG-NH1 3.34Å; D159-R172 PolarHBondContact O-NH1 3.25Å; D159-R172 IonicContact OD1-CZ 3.79Å; D159-R172 IonicContact OD1-NH1 2.93Å; D159-R172 IonicContact OD1-NH2 3.44Å; D159-R172 PolarHBondContact OD1-NH2 3.43Å; D159-R172 IonicContact OD2-CZ 3.68Å; D159-R172 VanDerWaalsContact OD2-CZ 3.23Å; D159-R172 IonicContact OD2-NH1 2.78Å; D159-R172 PolarHBondContact OD2-NH1 3.19Å; D159-R172 IonicContact OD2-NH2 3.27Å; D159-R172 PolarHBondContact OD2-NH2 3.48Å; R172-D174 IonicContact CZ-OD1 3.56Å; R172-D174 IonicContact NE-OD1 3.25Å; R172-D174 PolarHBondContact NE-OD1 2.85Å; R172-D174 IonicContact NE-OD2 3.71Å; R172-D174 PolarHBondContact NE-OD2 3.3Å; R172-D174 IonicContact NH2-OD1 2.77Å; R172-D174 PolarHBondContact NH2-OD1 2.88Å; R172-F189 WeakPolarHBondContact CA-O 3.35Å; R172-I190 HydrophobicContact CB-CD1 3.91Å; R172-I190 HydrophobicContact CG-CD1 3.66Å
173V97.3Very high92.5Very high5 Ų571.2 Ų71.23%0.0336%0.355CS..EExtended strand (participates in β ladder)trans-134.3107.8178.5-170.30000108.6K171 V176 S188 F189 I191 L246 V255K171-V173 HydrophobicContact CD-CG2 4.18Å; K171-V173 HydrophobicContact CG-CG2 4.03Å; V173-V176 HydrophobicContact CB-CG2 4.25Å; V173-V176 HydrophobicContact CG1-CG2 3.98Å; V173-V176 VanDerWaalsContact O-CG2 3.26Å; V173-V176 WeakPolarHBondContact O-CG2 3.49Å; V173-S188 CarbonylContact O-C 3.53Å; V173-S188 WeakPolarHBondContact O-CA 3.17Å; V173-F189 HydrophobicContact CB-CB 4.19Å; V173-F189 PolarHBondContact N-O 3.39Å; V173-F189 PolarHBondContact O-N 3.44Å; V173-I191 HydrophobicContact CG2-CD1 4.19Å; V173-L246 HydrophobicContact CG1-CD2 3.78Å; V173-V255 HydrophobicContact CG1-CG2 4.12Å; V173-V255 HydrophobicContact CG2-CG2 3.84Å
174D96.5Very high92Very high70 Ų7068 Ų6837%0.37434%0.343SS..EExtended strand (participates in β ladder)trans-87.2160.2176.2-56-65.7000111.6R172 S188 R251R172-D174 IonicContact CZ-OD1 3.56Å; R172-D174 IonicContact NE-OD1 3.25Å; R172-D174 PolarHBondContact NE-OD1 2.85Å; R172-D174 IonicContact NE-OD2 3.71Å; R172-D174 PolarHBondContact NE-OD2 3.3Å; R172-D174 IonicContact NH2-OD1 2.77Å; R172-D174 PolarHBondContact NH2-OD1 2.88Å; D174-S188 WeakPolarHBondContact OD1-CB 3.39Å; D174-S188 PolarHBondContact OD1-OG 3.38Å; D174-R251 PolarHBondContact O-NH2 2.91Å
175G95.8Very high91.9Very high31 Ų3168.9 Ų68.932%0.3235%0.348SS..EExtended strand (participates in β ladder)trans79.832.2177.500000113.4G187G175-G187 PolarHBondContact N-O 3.1Å; G175-G187 VanDerWaalsContact N-O 3.13Å
176V96.7Very high91.8Very high0 Ų067.6 Ų67.60%034%0.335CS..EExtended strand (participates in β ladder)trans-98.4114.1-178.4-177.20000109V173 G187 F189 W198 F244 L246V173-V176 HydrophobicContact CB-CG2 4.25Å; V173-V176 HydrophobicContact CG1-CG2 3.98Å; V173-V176 VanDerWaalsContact O-CG2 3.26Å; V173-V176 WeakPolarHBondContact O-CG2 3.49Å; V176-G187 PolarHBondContact N-O 3.46Å; V176-G187 CarbonylContact O-C 3.47Å; V176-G187 WeakPolarHBondContact O-CA 3.41Å; V176-G187 PolarHBondContact O-N 3.39Å; V176-F189 HydrophobicContact CB-CD2 4.16Å; V176-F189 HydrophobicContact CB-CE2 4.5Å; V176-F189 HydrophobicContact CG1-CD2 3.6Å; V176-F189 HydrophobicContact CG1-CE2 3.47Å; V176-F189 VanDerWaalsContact CG1-CE2 3.47Å; V176-F189 HydrophobicContact CG1-CG 4.18Å; V176-F189 HydrophobicContact CG1-CZ 3.96Å; V176-F189 HydrophobicContact CG2-CB 4.31Å; V176-F189 HydrophobicContact CG2-CD2 3.67Å; V176-F189 HydrophobicContact CG2-CE2 4.35Å; V176-F189 HydrophobicContact CG2-CG 4.14Å; V176-W198 PolarHBondContact O-NE1 2.73Å; V176-F244 HydrophobicContact CG1-CB 4.02Å; V176-F244 HydrophobicContact CG1-CD1 3.98Å; V176-F244 HydrophobicContact CG1-CG 4.36Å; V176-L246 HydrophobicContact CB-CG 4.46Å; V176-L246 HydrophobicContact CG1-CD1 4.12Å; V176-L246 HydrophobicContact CG1-CG 4.13Å; V176-L246 HydrophobicContact CG2-CD2 3.73Å; V176-L246 HydrophobicContact CG2-CG 4.02Å
177W95.5Very high91.9Very high102 Ų10264.1 Ų64.139%0.38632%0.317SS..EExtended strand (participates in β ladder)trans-82.7135.1175.6-70.481.6000110.7G184 D185 L186 F244 R245W177-G184 WeakPolarHBondContact CZ3-O 3.4Å; W177-D185 CarbonylContact C-O 3.53Å; W177-D185 VanDerWaalsContact CA-O 3.31Å; W177-D185 WeakPolarHBondContact CA-O 3.19Å; W177-L186 HydrophobicContact CD2-CB 4.41Å; W177-L186 HydrophobicContact CD2-CD1 4.21Å; W177-L186 HydrophobicContact CG-CD1 4.29Å; W177-L186 HydrophobicContact CH2-CB 4.33Å; W177-L186 HydrophobicContact CZ2-CB 4.2Å; W177-L186 HydrophobicContact CZ2-CD1 4.15Å; W177-L186 HydrophobicContact CZ3-CB 4.49Å; W177-F244 CarbonylContact O-C 3.55Å; W177-F244 WeakPolarHBondContact O-CA 3.23Å; W177-R245 HydrophobicContact CB-CB 4.16Å; W177-R245 PolarHBondContact N-O 3.24Å; W177-R245 PolarHBondContact O-N 2.89Å
178N95.2Very high91.8Very high6 Ų663.9 Ų63.93%0.03232%0.316CS..EExtended strand (participates in β ladder)trans-98.9127.4167.7-177.72.9000110.1Y180 G184 D185 W198 I208 G243 F244N178-Y180 HydrophobicContact CB-CD1 4.37Å; N178-G184 WeakPolarHBondContact O-CA 3.34Å; N178-D185 PolarHBondContact N-O 2.8Å; N178-D185 PolarHBondContact O-N 2.81Å; N178-W198 HydrophobicContact CB-CD2 3.98Å; N178-W198 HydrophobicContact CB-CE3 4.18Å; N178-W198 HydrophobicContact CB-CH2 3.53Å; N178-W198 HydrophobicContact CB-CZ2 3.28Å; N178-W198 HydrophobicContact CB-CZ3 3.96Å; N178-W198 WeakPolarHBondContact ND2-CZ3 3.18Å; N178-I208 VanDerWaalsContact ND2-CD1 3.33Å; N178-I208 WeakPolarHBondContact ND2-CD1 3.42Å; N178-G243 PolarHBondContact OD1-O 2.8Å; N178-F244 HydrophobicContact CB-CD1 4.08Å; N178-F244 HydrophobicContact CB-CE1 3.97Å
179L91.8Very high91.9Very high36 Ų3657.9 Ų57.919%0.18829%0.288CS..  trans-110.378.4-172.1-56.5175.1000110.1F225 V228 G243 R245L179-F225 HydrophobicContact CD1-CD2 3.92Å; L179-F225 HydrophobicContact CD2-CD2 4Å; L179-F225 HydrophobicContact CD2-CE2 4.15Å; L179-F225 HydrophobicContact CD2-CG 4.48Å; L179-F225 HydrophobicContact CG-CD2 4.49Å; L179-V228 HydrophobicContact CD1-CB 4.41Å; L179-V228 HydrophobicContact CD1-CG1 3.49Å; L179-V228 VanDerWaalsContact CD1-CG1 3.49Å; L179-G243 PolarHBondContact N-O 3.03Å; L179-R245 HydrophobicContact CD1-CB 4.04Å
180Y83Confident91.9Very high134 Ų13453.8 Ų53.853%0.52527%0.269SS..SBendtrans-104.3-7.417659.3-97.5000113.4N178 D185N178-Y180 HydrophobicContact CB-CD1 4.37Å; Y180-D185 HydrophobicContact CE1-CB 4.47Å; Y180-D185 PolarHBondContact OH-OD2 3.42Å
181S72.2Confident91.9Very high61 Ų6149.1 Ų49.143%0.42725%0.247SC..SBendtrans-146.9-163.9172.375.50000111.4E183S181-E183 CarbonylContact C-O 3.6Å; S181-E183 PolarHBondContact O-N 3.06Å; S181-E183 PolarHBondContact OG-N 2.91Å; S181-E183 PolarHBondContact OG-O 3.06Å
182D73.2Confident92Very high126 Ų12645 Ų4567%0.67423%0.23SC*.SBendtrans-68.2-17.5173.6-69-37000113.2K224D182-K224 IonicContact OD1-NZ 2.85Å; D182-K224 PolarHBondContact OD1-NZ 3.42Å
183E77.4Confident92Very high157 Ų15743 Ų4373%0.73422%0.224SC*.SBendtrans-114.3146.1171.1-63.7-180172.300108.4S181S181-E183 CarbonylContact C-O 3.6Å; S181-E183 PolarHBondContact O-N 3.06Å; S181-E183 PolarHBondContact OG-N 2.91Å; S181-E183 PolarHBondContact OG-O 3.06Å
184G86Confident92Very high19 Ų1942.7 Ų42.720%0.19622%0.223CC..  trans-116.4156.8177.800000110.8W177 N178W177-G184 WeakPolarHBondContact CZ3-O 3.4Å; N178-G184 WeakPolarHBondContact O-CA 3.34Å
185D93.5Very high92Very high42 Ų4239.4 Ų39.423%0.22521%0.205CC..EExtended strand (participates in β ladder)trans-96133.1170.1-83.9-31.9000109.9W177 N178 Y180 W198 A200W177-D185 CarbonylContact C-O 3.53Å; W177-D185 VanDerWaalsContact CA-O 3.31Å; W177-D185 WeakPolarHBondContact CA-O 3.19Å; N178-D185 PolarHBondContact N-O 2.8Å; N178-D185 PolarHBondContact O-N 2.81Å; Y180-D185 HydrophobicContact CE1-CB 4.47Å; Y180-D185 PolarHBondContact OH-OD2 3.42Å; D185-W198 HydrophobicContact CB-CH2 3.74Å; D185-W198 HydrophobicContact CB-CZ2 3.91Å; D185-A200 HydrophobicContact CB-CB 4.15Å
186L95.2Very high92.1Very high72 Ų7238.1 Ų38.138%0.37719%0.191SC..EExtended strand (participates in β ladder)trans-75.3130.1168.3-175.868.2000109.5W177 T201W177-L186 HydrophobicContact CD2-CB 4.41Å; W177-L186 HydrophobicContact CD2-CD1 4.21Å; W177-L186 HydrophobicContact CG-CD1 4.29Å; W177-L186 HydrophobicContact CH2-CB 4.33Å; W177-L186 HydrophobicContact CZ2-CB 4.2Å; W177-L186 HydrophobicContact CZ2-CD1 4.15Å; W177-L186 HydrophobicContact CZ3-CB 4.49Å; L186-T201 PolarHBondContact O-N 3.1Å; L186-T201 PolarHBondContact O-OG1 2.91Å
187G96Very high92.2Very high0 Ų038.1 Ų38.10%019%0.191CC..EExtended strand (participates in β ladder)trans-151.3-164.1-17900000114G175 V176 F199 T201G175-G187 PolarHBondContact N-O 3.1Å; G175-G187 VanDerWaalsContact N-O 3.13Å; V176-G187 PolarHBondContact N-O 3.46Å; V176-G187 CarbonylContact O-C 3.47Å; V176-G187 WeakPolarHBondContact O-CA 3.41Å; V176-G187 PolarHBondContact O-N 3.39Å; G187-F199 CarbonylContact C-O 3.46Å; G187-F199 WeakPolarHBondContact CA-O 3Å; G187-T201 WeakPolarHBondContact CA-OG1 3.4Å
188S97Very high92.3Very high3 Ų333.3 Ų33.32%0.02117%0.173CC..EExtended strand (participates in β ladder)trans-132.7141.7179.1-63.10000110.5V173 D174 W198 F199V173-S188 CarbonylContact O-C 3.53Å; V173-S188 WeakPolarHBondContact O-CA 3.17Å; D174-S188 WeakPolarHBondContact OD1-CB 3.39Å; D174-S188 PolarHBondContact OD1-OG 3.38Å; S188-W198 WeakPolarHBondContact O-CA 3.37Å; S188-F199 PolarHBondContact N-O 3.24Å; S188-F199 PolarHBondContact O-N 3.41Å; S188-F199 VanDerWaalsContact O-N 3.14Å
189F97.5Very high92.3Very high1 Ų133.1 Ų33.10%0.00417%0.171CC..EExtended strand (participates in β ladder)trans-89138.5164.6-83-44.3000110.9R172 V173 V176 I191 I196 V197 W198 L229 F244 L246 V255R172-F189 WeakPolarHBondContact CA-O 3.35Å; V173-F189 HydrophobicContact CB-CB 4.19Å; V173-F189 PolarHBondContact N-O 3.39Å; V173-F189 PolarHBondContact O-N 3.44Å; V176-F189 HydrophobicContact CB-CD2 4.16Å; V176-F189 HydrophobicContact CB-CE2 4.5Å; V176-F189 HydrophobicContact CG1-CD2 3.6Å; V176-F189 HydrophobicContact CG1-CE2 3.47Å; V176-F189 VanDerWaalsContact CG1-CE2 3.47Å; V176-F189 HydrophobicContact CG1-CG 4.18Å; V176-F189 HydrophobicContact CG1-CZ 3.96Å; V176-F189 HydrophobicContact CG2-CB 4.31Å; V176-F189 HydrophobicContact CG2-CD2 3.67Å; V176-F189 HydrophobicContact CG2-CE2 4.35Å; V176-F189 HydrophobicContact CG2-CG 4.14Å; F189-I191 HydrophobicContact CB-CG1 4.29Å; F189-I196 HydrophobicContact CD1-CG2 3.64Å; F189-I196 HydrophobicContact CE1-CG2 3.67Å; F189-I196 HydrophobicContact CG-CG2 4.41Å; F189-I196 HydrophobicContact CZ-CG2 4.46Å; F189-V197 CarbonylContact C-O 3.5Å; F189-V197 WeakPolarHBondContact CA-O 3.26Å; F189-W198 HydrophobicContact CD1-CB 3.66Å; F189-W198 HydrophobicContact CD1-CG 4.26Å; F189-W198 HydrophobicContact CE1-CB 3.65Å; F189-W198 HydrophobicContact CE1-CG 4.22Å; F189-L229 HydrophobicContact CE2-CD2 4.13Å; F189-L229 HydrophobicContact CZ-CD2 4.31Å; F189-F244 HydrophobicContact CE1-CD1 4.03Å; F189-F244 HydrophobicContact CE1-CD2 4.35Å; F189-F244 AromaticContact CE1-CE1 3.85Å; F189-F244 HydrophobicContact CE1-CE1 3.85Å; F189-F244 HydrophobicContact CE1-CE2 4.17Å; F189-F244 HydrophobicContact CE1-CG 4.26Å; F189-F244 AromaticContact CE1-CZ 3.92Å; F189-F244 HydrophobicContact CE1-CZ 3.92Å; F189-F244 HydrophobicContact CE2-CB 4.23Å; F189-F244 HydrophobicContact CE2-CD1 4.42Å; F189-F244 HydrophobicContact CE2-CG 4.15Å; F189-F244 HydrophobicContact CZ-CB 4Å; F189-F244 AromaticContact CZ-CD1 3.6Å; F189-F244 HydrophobicContact CZ-CD1 3.6Å; F189-F244 AromaticContact CZ-CD2 3.59Å; F189-F244 HydrophobicContact CZ-CD2 3.59Å; F189-F244 AromaticContact CZ-CE1 3.88Å; F189-F244 HydrophobicContact CZ-CE1 3.88Å; F189-F244 AromaticContact CZ-CE2 3.84Å; F189-F244 HydrophobicContact CZ-CE2 3.84Å; F189-F244 AromaticContact CZ-CG 3.44Å; F189-F244 HydrophobicContact CZ-CG 3.44Å; F189-F244 VanDerWaalsContact CZ-CG 3.44Å; F189-F244 AromaticContact CZ-CZ 3.98Å; F189-F244 HydrophobicContact CZ-CZ 3.98Å; F189-L246 HydrophobicContact CE2-CD1 4.33Å; F189-V255 HydrophobicContact CD2-CG1 4.48Å
190I97.7Very high92.5Very high1 Ų131.4 Ų31.41%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-115115.6158.7-51.7-65.3000107L161 Q169 R172 T192 V197 F199L161-I190 HydrophobicContact CB-CB 4.44Å; L161-I190 HydrophobicContact CB-CG1 4.31Å; L161-I190 HydrophobicContact CB-CG2 4Å; L161-I190 HydrophobicContact CD2-CB 4.1Å; L161-I190 HydrophobicContact CD2-CG2 3.49Å; L161-I190 VanDerWaalsContact CD2-CG2 3.49Å; L161-I190 HydrophobicContact CG-CG2 4.37Å; Q169-I190 HydrophobicContact CG-CG2 3.76Å; R172-I190 HydrophobicContact CB-CD1 3.91Å; R172-I190 HydrophobicContact CG-CD1 3.66Å; I190-T192 HydrophobicContact CG2-CG2 4.17Å; I190-V197 HydrophobicContact CB-CB 4.42Å; I190-V197 PolarHBondContact N-O 2.87Å; I190-V197 PolarHBondContact O-N 2.81Å; I190-F199 HydrophobicContact CD1-CE1 4.33Å; I190-F199 HydrophobicContact CG1-CE1 3.88Å
191I98.4Very high93Very high0 Ų028.2 Ų28.20%016%0.157CC..EExtended strand (participates in β ladder)trans-103.8122.1-178.1-56.9174.2000107.3Q170 K171 V173 F189 Y212 V255 L258 L259 L262Q170-I191 PolarHBondContact N-O 3.16Å; K171-I191 HydrophobicContact CB-CB 4.42Å; K171-I191 PolarHBondContact N-O 2.81Å; K171-I191 VanDerWaalsContact N-O 3.11Å; K171-I191 PolarHBondContact O-N 2.97Å; V173-I191 HydrophobicContact CG2-CD1 4.19Å; F189-I191 HydrophobicContact CB-CG1 4.29Å; I191-Y212 WeakPolarHBondContact CG2-OH 3.28Å; I191-V255 HydrophobicContact CD1-CG1 4.11Å; I191-L258 HydrophobicContact CD1-CD2 3.92Å; I191-L258 HydrophobicContact CG2-CD2 4.23Å; I191-L259 HydrophobicContact CD1-CD2 4.01Å; I191-L259 HydrophobicContact CG1-CD2 4.2Å; I191-L259 HydrophobicContact CG2-CD2 3.81Å; I191-L262 HydrophobicContact CG2-CD1 3.44Å; I191-L262 VanDerWaalsContact CG2-CD1 3.44Å
192T98.4Very high93.9Very high0 Ų033.2 Ų33.20%018%0.176CC..EExtended strand (participates in β ladder)trans-117.5180-18076.20000110.8L161 L163 E167 E168 I190 I194 R195 Y212L161-T192 HydrophobicContact CD2-CG2 3.69Å; L163-T192 HydrophobicContact CD2-CG2 4.33Å; E167-T192 HydrophobicContact CG-CG2 3.81Å; E167-T192 WeakPolarHBondContact CG-OG1 3.38Å; E167-T192 WeakPolarHBondContact OE1-CB 3.18Å; E167-T192 WeakPolarHBondContact OE1-CG2 3.48Å; E167-T192 PolarHBondContact OE1-OG1 3.44Å; E168-T192 CarbonylContact O-C 3.47Å; E168-T192 VanDerWaalsContact O-CA 3.23Å; E168-T192 WeakPolarHBondContact O-CA 3.24Å; E168-T192 VanDerWaalsContact O-CB 3.31Å; E168-T192 WeakPolarHBondContact O-CB 3.41Å; I190-T192 HydrophobicContact CG2-CG2 4.17Å; T192-I194 VanDerWaalsContact C-N 3.25Å; T192-I194 PolarHBondContact O-N 2.82Å; T192-I194 PolarHBondContact OG1-N 3.01Å; T192-R195 PolarHBondContact N-O 3.2Å; T192-R195 PolarHBondContact OG1-N 2.87Å; T192-R195 VanDerWaalsContact OG1-N 3.09Å; T192-R195 PolarHBondContact OG1-O 3.18Å; T192-Y212 VanDerWaalsContact O-CE2 3.31Å; T192-Y212 WeakPolarHBondContact O-CE2 3.18Å; T192-Y212 PolarHBondContact O-OH 3.37Å
193N97.4Very high94.7Very high36 Ų3630.9 Ų30.919%0.19316%0.163CC..SBendtrans-71.5-14.4172.562.4-31.2000113.9L166 E167 E168L166-N193 PolarHBondContact O-ND2 3.27Å; E167-N193 WeakPolarHBondContact CA-OD1 3.35Å; E168-N193 PolarHBondContact N-OD1 2.95Å; E168-N193 PolarHBondContact O-N 3.1Å; E168-N193 VanDerWaalsContact O-N 3.1Å; E168-N193 PolarHBondContact O-OD1 3.09Å
194I97.5Very high95.3Very high0 Ų026.2 Ų26.20%014%0.141CC..SBendtrans-116.2-35.3-174-68.1149.4000112.7Y146 L166 E167 T192 Y212 Y266 I271Y146-I194 HydrophobicContact CD1-CD1 3.7Å; Y146-I194 HydrophobicContact CD1-CG1 4.21Å; Y146-I194 HydrophobicContact CD1-CG2 3.8Å; Y146-I194 HydrophobicContact CE1-CD1 3.31Å; Y146-I194 HydrophobicContact CE1-CG1 4.27Å; Y146-I194 HydrophobicContact CG-CG2 4.43Å; L166-I194 WeakPolarHBondContact O-CD1 3.23Å; E167-I194 HydrophobicContact CB-CD1 3.78Å; E167-I194 HydrophobicContact CG-CD1 4.19Å; T192-I194 VanDerWaalsContact C-N 3.25Å; T192-I194 PolarHBondContact O-N 2.82Å; T192-I194 PolarHBondContact OG1-N 3.01Å; I194-Y212 VanDerWaalsContact O-CD2 3.24Å; I194-Y212 WeakPolarHBondContact O-CD2 3.26Å; I194-Y212 PolarHBondContact O-N 2.74Å; I194-Y266 HydrophobicContact CB-CE2 4.49Å; I194-Y266 HydrophobicContact CG1-CE2 4.42Å; I194-Y266 HydrophobicContact CG2-CE2 4.25Å; I194-I271 HydrophobicContact CG1-CB 4.41Å; I194-I271 HydrophobicContact CG1-CD1 4.34Å
195R97.6Very high95.5Very high0 Ų030.6 Ų30.60%016%0.158CC..EExtended strand (participates in β ladder)trans-152164.2-171.358.9175.4175.9174.5-2.2112.5E167 T192 V197 S209 L210 P211E167-R195 WeakPolarHBondContact OE1-CG 3.37Å; E167-R195 IonicContact OE1-CZ 3.92Å; E167-R195 IonicContact OE1-NE 2.87Å; E167-R195 PolarHBondContact OE1-NE 3.36Å; E167-R195 IonicContact OE1-NH2 2.77Å; E167-R195 IonicContact OE2-CZ 3.9Å; E167-R195 IonicContact OE2-NE 3.57Å; E167-R195 PolarHBondContact OE2-NE 3.01Å; E167-R195 IonicContact OE2-NH2 3.42Å; E167-R195 PolarHBondContact OE2-NH2 3.13Å; T192-R195 PolarHBondContact N-O 3.2Å; T192-R195 PolarHBondContact OG1-N 2.87Å; T192-R195 VanDerWaalsContact OG1-N 3.09Å; T192-R195 PolarHBondContact OG1-O 3.18Å; R195-V197 HydrophobicContact CG-CG2 4.23Å; R195-S209 VanDerWaalsContact CD-OG 3.31Å; R195-S209 WeakPolarHBondContact CD-OG 3.35Å; R195-S209 PolarHBondContact NH1-OG 3.02Å; R195-L210 CarbonylContact C-O 3.59Å; R195-L210 VanDerWaalsContact CA-O 3.29Å; R195-L210 WeakPolarHBondContact CA-O 3.47Å; R195-L210 WeakPolarHBondContact CB-O 3.49Å; R195-P211 HydrophobicContact CB-CB 4.44Å
196I97.8Very high95.4Very high4 Ų430.9 Ų30.92%0.02116%0.159CC..EExtended strand (participates in β ladder)trans-106.1127.8169.2-50.3165000107F189 L210 Y212 M215 L231 L259F189-I196 HydrophobicContact CD1-CG2 3.64Å; F189-I196 HydrophobicContact CE1-CG2 3.67Å; F189-I196 HydrophobicContact CG-CG2 4.41Å; F189-I196 HydrophobicContact CZ-CG2 4.46Å; I196-L210 PolarHBondContact N-O 2.89Å; I196-L210 PolarHBondContact O-N 3.33Å; I196-Y212 HydrophobicContact CD1-CE1 3.84Å; I196-Y212 HydrophobicContact CG1-CD1 4.49Å; I196-Y212 HydrophobicContact CG1-CE1 3.66Å; I196-M215 HydrophobicContact CD1-SD 3.87Å; I196-L231 HydrophobicContact CD1-CD1 3.76Å; I196-L259 HydrophobicContact CD1-CD1 3.82Å; I196-L259 HydrophobicContact CD1-CD2 3.44Å; I196-L259 VanDerWaalsContact CD1-CD2 3.44Å; I196-L259 HydrophobicContact CD1-CG 4.16Å; I196-L259 HydrophobicContact CG1-CD2 3.61Å
197V97.9Very high95.4Very high0 Ų027.6 Ų27.60%014%0.142CC..EExtended strand (participates in β ladder)trans-114125.3172.5-1770000109V155 V156 L161 F189 I190 R195 I208V155-V197 HydrophobicContact CG2-CG1 3.91Å; V156-V197 HydrophobicContact CG2-CG1 4.25Å; L161-V197 HydrophobicContact CD1-CB 4.23Å; L161-V197 HydrophobicContact CD1-CG1 4.14Å; L161-V197 HydrophobicContact CD1-CG2 3.85Å; L161-V197 HydrophobicContact CD2-CG2 4.16Å; F189-V197 CarbonylContact C-O 3.5Å; F189-V197 WeakPolarHBondContact CA-O 3.26Å; I190-V197 HydrophobicContact CB-CB 4.42Å; I190-V197 PolarHBondContact N-O 2.87Å; I190-V197 PolarHBondContact O-N 2.81Å; R195-V197 HydrophobicContact CG-CG2 4.23Å; V197-I208 CarbonylContact C-O 3.18Å; V197-I208 VanDerWaalsContact CA-O 3.24Å; V197-I208 WeakPolarHBondContact CA-O 2.99Å
198W97.3Very high95.4Very high2 Ų228.2 Ų28.21%0.00815%0.146CC..EExtended strand (participates in β ladder)trans-111.1141.6166.4177.385.9000109.2V176 N178 D185 S188 F189 A200 I206 S207 I208 F244V176-W198 PolarHBondContact O-NE1 2.73Å; N178-W198 HydrophobicContact CB-CD2 3.98Å; N178-W198 HydrophobicContact CB-CE3 4.18Å; N178-W198 HydrophobicContact CB-CH2 3.53Å; N178-W198 HydrophobicContact CB-CZ2 3.28Å; N178-W198 HydrophobicContact CB-CZ3 3.96Å; N178-W198 WeakPolarHBondContact ND2-CZ3 3.18Å; D185-W198 HydrophobicContact CB-CH2 3.74Å; D185-W198 HydrophobicContact CB-CZ2 3.91Å; S188-W198 WeakPolarHBondContact O-CA 3.37Å; F189-W198 HydrophobicContact CD1-CB 3.66Å; F189-W198 HydrophobicContact CD1-CG 4.26Å; F189-W198 HydrophobicContact CE1-CB 3.65Å; F189-W198 HydrophobicContact CE1-CG 4.22Å; W198-A200 HydrophobicContact CH2-CB 3.92Å; W198-A200 HydrophobicContact CZ2-CB 4.25Å; W198-I206 HydrophobicContact CH2-CG2 4.12Å; W198-I206 HydrophobicContact CZ3-CG2 3.92Å; W198-S207 CarbonylContact O-C 3.08Å; W198-S207 WeakPolarHBondContact O-CA 3.4Å; W198-S207 WeakPolarHBondContact O-CB 3.46Å; W198-I208 HydrophobicContact CE3-CD1 4.01Å; W198-I208 HydrophobicContact CE3-CG1 4.16Å; W198-I208 HydrophobicContact CZ3-CD1 4.47Å; W198-I208 PolarHBondContact N-O 3.3Å; W198-I208 PolarHBondContact O-N 2.63Å; W198-F244 HydrophobicContact CB-CE1 3.94Å; W198-F244 HydrophobicContact CB-CZ 4.37Å; W198-F244 AromaticContact CD1-CE1 3.85Å; W198-F244 HydrophobicContact CD2-CE1 4.06Å; W198-F244 HydrophobicContact CG-CD1 4.33Å; W198-F244 AromaticContact CG-CE1 3.66Å; W198-F244 HydrophobicContact CG-CE1 3.66Å
199F96.4Very high95.4Very high1 Ų128.1 Ų28.10%0.00415%0.145CC..EExtended strand (participates in β ladder)trans-144.1146.3171.865.5-81.6000110.7V156 D159 G187 S188 I190 E204 I206V156-F199 HydrophobicContact CB-CD1 4.49Å; V156-F199 HydrophobicContact CB-CG 4.36Å; V156-F199 HydrophobicContact CG1-CD1 4.35Å; V156-F199 HydrophobicContact CG1-CD2 4.08Å; V156-F199 HydrophobicContact CG1-CE1 4.3Å; V156-F199 HydrophobicContact CG1-CE2 4.04Å; V156-F199 HydrophobicContact CG1-CG 4.23Å; V156-F199 HydrophobicContact CG1-CZ 4.15Å; V156-F199 HydrophobicContact CG2-CB 4.26Å; V156-F199 HydrophobicContact CG2-CD1 3.66Å; V156-F199 HydrophobicContact CG2-CE1 4.1Å; V156-F199 HydrophobicContact CG2-CG 3.93Å; D159-F199 WeakPolarHBondContact OD1-CE2 3.39Å; D159-F199 VanDerWaalsContact OD1-CZ 3.29Å; D159-F199 WeakPolarHBondContact OD1-CZ 3.46Å; G187-F199 CarbonylContact C-O 3.46Å; G187-F199 WeakPolarHBondContact CA-O 3Å; S188-F199 PolarHBondContact N-O 3.24Å; S188-F199 PolarHBondContact O-N 3.41Å; S188-F199 VanDerWaalsContact O-N 3.14Å; I190-F199 HydrophobicContact CD1-CE1 4.33Å; I190-F199 HydrophobicContact CG1-CE1 3.88Å; F199-E204 HydrophobicContact CD2-CG 4.18Å; F199-I206 WeakPolarHBondContact CA-O 3.43Å
200A94.9Very high95.4Very high1 Ų128.2 Ų28.21%0.00815%0.145CC..EExtended strand (participates in β ladder)trans-73.6137.8176.900000111D185 W198 M202 N203 E204 I206D185-A200 HydrophobicContact CB-CB 4.15Å; W198-A200 HydrophobicContact CH2-CB 3.92Å; W198-A200 HydrophobicContact CZ2-CB 4.25Å; A200-M202 VanDerWaalsContact C-N 3.33Å; A200-M202 PolarHBondContact O-N 2.9Å; A200-N203 CarbonylContact O-C 3.42Å; A200-N203 VanDerWaalsContact O-C 3.28Å; A200-N203 PolarHBondContact O-N 2.98Å; A200-E204 PolarHBondContact O-N 3.01Å; A200-I206 HydrophobicContact CB-CB 4.01Å; A200-I206 HydrophobicContact CB-CG2 4.36Å; A200-I206 PolarHBondContact N-O 2.81Å
201T93.6Very high95.4Very high66 Ų6628.1 Ų28.141%0.40515%0.145SC..SBendtrans-68.4-34-178.7-53.60000111.9L186 G187L186-T201 PolarHBondContact O-N 3.1Å; L186-T201 PolarHBondContact O-OG1 2.91Å; G187-T201 WeakPolarHBondContact CA-OG1 3.4Å
202M91.4Very high95.4Very high167 Ų16728.1 Ų28.182%0.82315%0.145SC*.SBendtrans-79.1-25.1179.6-62.9-62.5105.100112.7A200A200-M202 VanDerWaalsContact C-N 3.33Å; A200-M202 PolarHBondContact O-N 2.9Å
203N90.5Very high95.3Very high76 Ų7628.4 Ų28.441%0.40615%0.146SC..  trans-152.598.9-178.6-174.2-2.9000111.2A200 M205 I206A200-N203 CarbonylContact O-C 3.42Å; A200-N203 VanDerWaalsContact O-C 3.28Å; A200-N203 PolarHBondContact O-N 2.98Å; N203-M205 PolarHBondContact O-N 2.85Å; N203-M205 VanDerWaalsContact OD1-CB 3.25Å; N203-M205 WeakPolarHBondContact OD1-CB 3.43Å; N203-M205 PolarHBondContact OD1-N 2.9Å; N203-M205 VanDerWaalsContact OD1-N 3.1Å; N203-I206 HydrophobicContact CB-CD1 4.26Å; N203-I206 HydrophobicContact CB-CG1 4.3Å; N203-I206 PolarHBondContact O-N 2.8Å
204E89.5Confident95.3Very high59 Ų5926.7 Ų26.728%0.27614%0.137SC..THydrogen-bonded Turntrans-60-19.2-179.5-60.9179.2179.100113.4V156 Q158 D159 F199 A200 I206V156-E204 HydrophobicContact CG1-CG 4.29Å; Q158-E204 PolarHBondContact N-OE2 2.77Å; Q158-E204 VanDerWaalsContact N-OE2 3.12Å; D159-E204 PolarHBondContact N-OE1 2.94Å; F199-E204 HydrophobicContact CD2-CG 4.18Å; A200-E204 PolarHBondContact O-N 3.01Å; E204-I206 PolarHBondContact O-N 3.3Å
205M89.3Confident95.2Very high111 Ų11127.2 Ų27.255%0.54714%0.14SC..THydrogen-bonded Turntrans-68.8-20.6174.3-62.5-65.9-69.100112.4R152 N203 S207R152-M205 WeakPolarHBondContact CA-O 3.32Å; R152-M205 WeakPolarHBondContact CB-O 3.36Å; N203-M205 PolarHBondContact O-N 2.85Å; N203-M205 VanDerWaalsContact OD1-CB 3.25Å; N203-M205 WeakPolarHBondContact OD1-CB 3.43Å; N203-M205 PolarHBondContact OD1-N 2.9Å; N203-M205 VanDerWaalsContact OD1-N 3.1Å; M205-S207 PolarHBondContact O-N 3.23Å
206I92.3Very high95.1Very high48 Ų4832.6 Ų32.625%0.24616%0.163CC..SBendtrans-86.889.9170.9-55.1178.5000106.9W198 F199 A200 N203 E204W198-I206 HydrophobicContact CH2-CG2 4.12Å; W198-I206 HydrophobicContact CZ3-CG2 3.92Å; F199-I206 WeakPolarHBondContact CA-O 3.43Å; A200-I206 HydrophobicContact CB-CB 4.01Å; A200-I206 HydrophobicContact CB-CG2 4.36Å; A200-I206 PolarHBondContact N-O 2.81Å; N203-I206 HydrophobicContact CB-CD1 4.26Å; N203-I206 HydrophobicContact CB-CG1 4.3Å; N203-I206 PolarHBondContact O-N 2.8Å; E204-I206 PolarHBondContact O-N 3.3Å
207S94.6Very high94.9Very high3 Ų333.3 Ų33.32%0.02117%0.169CC..EExtended strand (participates in β ladder)trans-134.9155-17766.70000112.6M151 R152 S153 W198 M205M151-S207 CarbonylContact C-O 3.59Å; M151-S207 WeakPolarHBondContact CA-O 3.11Å; R152-S207 PolarHBondContact N-O 3.39Å; S153-S207 PolarHBondContact N-OG 3.15Å; S153-S207 PolarHBondContact O-OG 3.47Å; W198-S207 CarbonylContact O-C 3.08Å; W198-S207 WeakPolarHBondContact O-CA 3.4Å; W198-S207 WeakPolarHBondContact O-CB 3.46Å; M205-S207 PolarHBondContact O-N 3.23Å
208I96.1Very high94.9Very high14 Ų1434 Ų347%0.07217%0.173CC..EExtended strand (participates in β ladder)trans-130.7125173.6-59.6167.7000106.9N178 V197 W198 F242 F244N178-I208 VanDerWaalsContact ND2-CD1 3.33Å; N178-I208 WeakPolarHBondContact ND2-CD1 3.42Å; V197-I208 CarbonylContact C-O 3.18Å; V197-I208 VanDerWaalsContact CA-O 3.24Å; V197-I208 WeakPolarHBondContact CA-O 2.99Å; W198-I208 HydrophobicContact CE3-CD1 4.01Å; W198-I208 HydrophobicContact CE3-CG1 4.16Å; W198-I208 HydrophobicContact CZ3-CD1 4.47Å; W198-I208 PolarHBondContact N-O 3.3Å; W198-I208 PolarHBondContact O-N 2.63Å; I208-F242 HydrophobicContact CD1-CD1 3.69Å; I208-F242 HydrophobicContact CD1-CE1 3.77Å; I208-F242 HydrophobicContact CD1-CG 4.37Å; I208-F242 HydrophobicContact CG1-CE1 4.42Å; I208-F242 HydrophobicContact CG2-CE1 4.3Å; I208-F242 HydrophobicContact CG2-CE2 4.09Å; I208-F242 HydrophobicContact CG2-CZ 3.97Å; I208-F244 HydrophobicContact CD1-CZ 4.43Å
209S97.3Very high94.9Very high0 Ų037.9 Ų37.90%019%0.19CC..EExtended strand (participates in β ladder)trans-114.7110.2171.3166.30000108V149 K150 R195V149-S209 WeakPolarHBondContact CA-O 3.29Å; K150-S209 PolarHBondContact N-O 3.09Å; K150-S209 PolarHBondContact O-N 2.89Å; R195-S209 VanDerWaalsContact CD-OG 3.31Å; R195-S209 WeakPolarHBondContact CD-OG 3.35Å; R195-S209 PolarHBondContact NH1-OG 3.02Å
210L97.7Very high94.8Very high3 Ų340.5 Ų40.52%0.01620%0.203CC..EExtended strand (participates in β ladder)trans-115.9102.7-177.4173.155.9000110.4V149 R195 I196 H214 M215 L231 T233 F242V149-L210 HydrophobicContact CG2-CD1 3.62Å; R195-L210 CarbonylContact C-O 3.59Å; R195-L210 VanDerWaalsContact CA-O 3.29Å; R195-L210 WeakPolarHBondContact CA-O 3.47Å; R195-L210 WeakPolarHBondContact CB-O 3.49Å; I196-L210 PolarHBondContact N-O 2.89Å; I196-L210 PolarHBondContact O-N 3.33Å; L210-H214 HydrophobicContact CD1-CB 4.21Å; L210-M215 HydrophobicContact CD2-CG 4.48Å; L210-L231 HydrophobicContact CD2-CB 4.15Å; L210-L231 HydrophobicContact CD2-CD1 4Å; L210-T233 HydrophobicContact CD1-CG2 3.62Å; L210-T233 HydrophobicContact CD2-CG2 4.12Å; L210-F242 HydrophobicContact CD2-CD2 4.4Å
211P97.8Very high94.8Very high0 Ų045.1 Ų45.10%022%0.223CC..EExtended strand (participates in β ladder)trans-61.2142.4169.5-22.434.5000112.3Y146 E148 R195 L213 H214 M215Y146-P211 WeakPolarHBondContact O-CB 3.48Å; E148-P211 WeakPolarHBondContact O-CG 3.45Å; R195-P211 HydrophobicContact CB-CB 4.44Å; P211-L213 HydrophobicContact CB-CB 4.31Å; P211-L213 PolarHBondContact O-N 3.11Å; P211-L213 VanDerWaalsContact O-N 3.16Å; P211-H214 PolarHBondContact O-N 2.88Å; P211-M215 PolarHBondContact O-N 3.22Å
212Y97.8Very high94.7Very high0 Ų048.6 Ų48.60%024%0.239CC..G310 helixtrans-58.8-28.9175.4-69.4-56.2000112.3I191 T192 I194 I196 H214 M215 L259 L262 Y266 H267I191-Y212 WeakPolarHBondContact CG2-OH 3.28Å; T192-Y212 VanDerWaalsContact O-CE2 3.31Å; T192-Y212 WeakPolarHBondContact O-CE2 3.18Å; T192-Y212 PolarHBondContact O-OH 3.37Å; I194-Y212 VanDerWaalsContact O-CD2 3.24Å; I194-Y212 WeakPolarHBondContact O-CD2 3.26Å; I194-Y212 PolarHBondContact O-N 2.74Å; I196-Y212 HydrophobicContact CD1-CE1 3.84Å; I196-Y212 HydrophobicContact CG1-CD1 4.49Å; I196-Y212 HydrophobicContact CG1-CE1 3.66Å; Y212-H214 PolarHBondContact O-N 3.19Å; Y212-M215 HydrophobicContact CD1-CE 3.9Å; Y212-M215 HydrophobicContact CD1-SD 4.22Å; Y212-M215 HydrophobicContact CE1-CE 4.26Å; Y212-M215 HydrophobicContact CE1-SD 4.46Å; Y212-M215 PolarHBondContact O-N 2.54Å; Y212-L259 HydrophobicContact CE1-CD2 4.29Å; Y212-L262 HydrophobicContact CE1-CB 4.39Å; Y212-L262 HydrophobicContact CE2-CB 3.92Å; Y212-L262 WeakPolarHBondContact OH-CD1 3.17Å; Y212-Y266 HydrophobicContact CD2-CD2 4.37Å; Y212-Y266 HydrophobicContact CD2-CG 4.22Å; Y212-Y266 HydrophobicContact CG-CG 4.4Å; Y212-H267 PolarHBondContact O-CE1 3.39Å; Y212-H267 PolarHBondContact O-NE2 3.08Å
213L96.7Very high94.6Very high5 Ų542.7 Ų42.73%0.02621%0.214CC..G310 helixtrans-48.4-41172.1-174.362.9000112.4V11 R147 P211 Y266 F272V11-L213 HydrophobicContact CG1-CD1 3.52Å; V11-L213 HydrophobicContact CG1-CG 3.71Å; V11-L213 WeakPolarHBondContact CG1-O 3.29Å; R147-L213 HydrophobicContact CB-CD2 3.49Å; R147-L213 VanDerWaalsContact CB-CD2 3.49Å; P211-L213 HydrophobicContact CB-CB 4.31Å; P211-L213 PolarHBondContact O-N 3.11Å; P211-L213 VanDerWaalsContact O-N 3.16Å; L213-Y266 HydrophobicContact CB-CE1 3.76Å; L213-Y266 HydrophobicContact CD1-CE1 4.32Å; L213-F272 HydrophobicContact CD1-CE1 4.04Å; L213-F272 HydrophobicContact CD2-CD1 4.4Å; L213-F272 HydrophobicContact CD2-CE1 4.28Å
214H96.5Very high94.4Very high0 Ų046.3 Ų46.30%023%0.226CC..G310 helixtrans-100.24.9-177.7-73.5-64.4000113.4R16 R147 V149 L210 P211 Y212 K216 T233 S234R16-H214 PolarHBondContact NH2-NE2 2.88Å; R147-H214 PolarHBondContact O-CD2 3.23Å; R147-H214 VanDerWaalsContact O-CD2 3.27Å; R147-H214 PolarHBondContact O-NE2 3.42Å; V149-H214 HydrophobicContact CG2-CB 3.72Å; L210-H214 HydrophobicContact CD1-CB 4.21Å; P211-H214 PolarHBondContact O-N 2.88Å; Y212-H214 PolarHBondContact O-N 3.19Å; H214-K216 PolarHBondContact O-N 3.5Å; H214-K216 VanDerWaalsContact O-N 3.12Å; H214-T233 CarbonylContact O-C 3.49Å; H214-T233 WeakPolarHBondContact O-CA 3.07Å; H214-S234 PolarHBondContact ND1-OG 3.4Å; H214-S234 PolarHBondContact O-N 3.26Å
215M96.2Very high94.1Very high12 Ų1246.5 Ų46.56%0.05923%0.227CC..EExtended strand (participates in β ladder)trans-82.491177.5-168.4175.975.900110.1I196 L210 P211 Y212 C218 L231 S263I196-M215 HydrophobicContact CD1-SD 3.87Å; L210-M215 HydrophobicContact CD2-CG 4.48Å; P211-M215 PolarHBondContact O-N 3.22Å; Y212-M215 HydrophobicContact CD1-CE 3.9Å; Y212-M215 HydrophobicContact CD1-SD 4.22Å; Y212-M215 HydrophobicContact CE1-CE 4.26Å; Y212-M215 HydrophobicContact CE1-SD 4.46Å; Y212-M215 PolarHBondContact O-N 2.54Å; M215-C218 HydrophobicContact CE-CB 4.04Å; M215-C218 HydrophobicContact SD-CB 4.16Å; M215-L231 HydrophobicContact SD-CD2 3.96Å; M215-S263 VanDerWaalsContact CE-OG 3.23Å; M215-S263 WeakPolarHBondContact CE-OG 3.05Å
216K94.9Very high94.1Very high112 Ų11242.5 Ų42.549%0.48721%0.214SC..EExtended strand (participates in β ladder)trans-68.2-41-178.6177.3176.1179.2172.30112.4H214 E232H214-K216 PolarHBondContact O-N 3.5Å; H214-K216 VanDerWaalsContact O-N 3.12Å; K216-E232 WeakPolarHBondContact CB-O 3.36Å; K216-E232 PolarHBondContact N-O 3.03Å
217S95.1Very high94.2Very high20 Ų2042.1 Ų42.114%0.1421%0.214CC..EExtended strand (participates in β ladder)trans-150.9148.5174.496.20000112.4K219 L231 E232S217-K219 VanDerWaalsContact OG-CE 3.23Å; S217-K219 WeakPolarHBondContact OG-CE 3.34Å; S217-K219 PolarHBondContact OG-NZ 3.42Å; S217-L231 WeakPolarHBondContact O-CA 3.35Å; S217-E232 PolarHBondContact N-O 3.35Å; S217-E232 VanDerWaalsContact N-O 3.15Å; S217-E232 PolarHBondContact O-N 3.25Å; S217-E232 VanDerWaalsContact OG-CD 3.24Å; S217-E232 PolarHBondContact OG-OE2 3.48Å
218C96.9Very high94.2Very high14 Ų1442.2 Ų42.210%0.09522%0.215CC..EExtended strand (participates in β ladder)trans-126.8118.3173.3-178.20000106.4M215 V230 L231 F256 L260M215-C218 HydrophobicContact CE-CB 4.04Å; M215-C218 HydrophobicContact SD-CB 4.16Å; C218-V230 WeakPolarHBondContact CA-O 3.31Å; C218-L231 HydrophobicContact CB-CD2 3.87Å; C218-L231 WeakPolarHBondContact SG-CD2 3.27Å; C218-F256 WeakPolarHBondContact O-CE2 3.37Å; C218-L260 HydrophobicContact CB-CD2 4.01Å
219K96.9Very high94.3Very high84 Ų8441.6 Ų41.637%0.36521%0.211SC..EExtended strand (participates in β ladder)trans-138.4146.3-174.1-63.7170.5-172.8149.40110.3S217 V230 E232S217-K219 VanDerWaalsContact OG-CE 3.23Å; S217-K219 WeakPolarHBondContact OG-CE 3.34Å; S217-K219 PolarHBondContact OG-NZ 3.42Å; K219-V230 PolarHBondContact N-O 3.36Å; K219-V230 PolarHBondContact O-N 3.01Å; K219-E232 IonicContact NZ-OE1 2.9Å; K219-E232 IonicContact NZ-OE2 3.32Å; K219-E232 PolarHBondContact NZ-OE2 2.94Å
220M95.5Very high94.2Very high56 Ų5642.2 Ų42.228%0.27622%0.215SC..EExtended strand (participates in β ladder)trans-92.1130.1162.5-71.7179.257.600109.4V228 L252 E253 F256M220-V228 WeakPolarHBondContact CA-O 3.46Å; M220-L252 HydrophobicContact CE-CD2 3.66Å; M220-L252 HydrophobicContact CE-CG 3.83Å; M220-L252 HydrophobicContact SD-CG 4.31Å; M220-E253 HydrophobicContact CE-CG 3.79Å; M220-E253 HydrophobicContact SD-CG 4Å; M220-F256 HydrophobicContact CG-CB 4.1Å; M220-F256 HydrophobicContact CG-CD1 4.05Å; M220-F256 HydrophobicContact CG-CD2 3.87Å; M220-F256 HydrophobicContact CG-CE1 4.44Å; M220-F256 HydrophobicContact CG-CE2 4.28Å; M220-F256 HydrophobicContact CG-CG 3.73Å; M220-F256 HydrophobicContact SD-CB 3.83Å; M220-F256 HydrophobicContact SD-CD1 3.69Å; M220-F256 HydrophobicContact SD-CD2 4.48Å; M220-F256 HydrophobicContact SD-CE1 4.36Å; M220-F256 HydrophobicContact SD-CG 3.74Å
221K94.1Very high94.2Very high98 Ų9842.2 Ų42.243%0.42622%0.215SC..EExtended strand (participates in β ladder)trans-132.6153.6176-69.9-175.2-179.1169.80109.8V228 V230 E232K221-V228 PolarHBondContact N-O 3.15Å; K221-V228 VanDerWaalsContact O-CG2 3.29Å; K221-V228 WeakPolarHBondContact O-CG2 3.43Å; K221-V228 PolarHBondContact O-N 3.49Å; K221-V230 HydrophobicContact CB-CG2 4.14Å; K221-V230 HydrophobicContact CD-CG2 4.22Å; K221-V230 HydrophobicContact CG-CG2 4.33Å; K221-E232 IonicContact NZ-OE1 3.25Å
222N92.3Very high94.1Very high139 Ų13944 Ų4474%0.74322%0.223SC*.EExtended strand (participates in β ladder)trans-82.2134.6166.9-73.3-25.5000109.4
223S88.2Confident94Very high43 Ų4344 Ų4430%0.30122%0.223SC..EExtended strand (participates in β ladder)trans-121.2177.4173.676.30000110.4F225 G226 V228S223-F225 PolarHBondContact O-N 3.05Å; S223-F225 VanDerWaalsContact O-N 3.1Å; S223-F225 PolarHBondContact OG-N 3.09Å; S223-G226 PolarHBondContact N-O 3.24Å; S223-G226 PolarHBondContact O-N 3.04Å; S223-G226 PolarHBondContact OG-O 2.9Å; S223-V228 VanDerWaalsContact OG-CG1 3.31Å; S223-V228 WeakPolarHBondContact OG-CG1 3.28Å
224K86.5Confident93.9Very high151 Ų15143.7 Ų43.766%0.65722%0.222SC*.THydrogen-bonded Turntrans-57.9-20.5170.269.4-178.1-176-179.60113.4D182D182-K224 IonicContact OD1-NZ 2.85Å; D182-K224 PolarHBondContact OD1-NZ 3.42Å
225F83.5Confident93.7Very high64 Ų6447.4 Ų47.428%0.28124%0.241SC..THydrogen-bonded Turntrans-97.811.1178.6-53.9-70000113.4L179 S223 R245L179-F225 HydrophobicContact CD1-CD2 3.92Å; L179-F225 HydrophobicContact CD2-CD2 4Å; L179-F225 HydrophobicContact CD2-CE2 4.15Å; L179-F225 HydrophobicContact CD2-CG 4.48Å; L179-F225 HydrophobicContact CG-CD2 4.49Å; S223-F225 PolarHBondContact O-N 3.05Å; S223-F225 VanDerWaalsContact O-N 3.1Å; S223-F225 PolarHBondContact OG-N 3.09Å; F225-R245 PolarHBondContact O-NH1 3.05Å
226G89.5Confident93.5Very high27 Ų2748.3 Ų48.328%0.27825%0.245SC..EExtended strand (participates in β ladder)trans92.8-163.4-173.400000113S223 V228S223-G226 PolarHBondContact N-O 3.24Å; S223-G226 PolarHBondContact O-N 3.04Å; S223-G226 PolarHBondContact OG-O 2.9Å; G226-V228 PolarHBondContact O-N 3.45Å
227P93.7Very high93.3Very high39 Ų3943.8 Ų43.825%0.25323%0.227SC..EExtended strand (participates in β ladder)trans-62.3132179-21.633.9000111.9L252P227-L252 HydrophobicContact CB-CD2 3.7Å
228V95.5Very high93Very high6 Ų645.3 Ų45.34%0.03625%0.247CC..EExtended strand (participates in β ladder)trans-134148.3-178.8-63.90000111.2L179 M220 K221 S223 G226 V230 F244 R245L179-V228 HydrophobicContact CD1-CB 4.41Å; L179-V228 HydrophobicContact CD1-CG1 3.49Å; L179-V228 VanDerWaalsContact CD1-CG1 3.49Å; M220-V228 WeakPolarHBondContact CA-O 3.46Å; K221-V228 PolarHBondContact N-O 3.15Å; K221-V228 VanDerWaalsContact O-CG2 3.29Å; K221-V228 WeakPolarHBondContact O-CG2 3.43Å; K221-V228 PolarHBondContact O-N 3.49Å; S223-V228 VanDerWaalsContact OG-CG1 3.31Å; S223-V228 WeakPolarHBondContact OG-CG1 3.28Å; G226-V228 PolarHBondContact O-N 3.45Å; V228-V230 HydrophobicContact CG2-CG2 3.96Å; V228-F244 CarbonylContact C-O 3.28Å; V228-F244 WeakPolarHBondContact CA-O 3.45Å; V228-F244 WeakPolarHBondContact CB-O 3.09Å; V228-R245 HydrophobicContact CG1-CB 4.13Å
229L97.1Very high92.8Very high0 Ų048.8 Ų48.80%026%0.264CS..EExtended strand (participates in β ladder)trans-81.5126.1166.3-178.270.2000108.5F189 L231 G243 F244 L252 V255 F256 L259F189-L229 HydrophobicContact CE2-CD2 4.13Å; F189-L229 HydrophobicContact CZ-CD2 4.31Å; L229-L231 HydrophobicContact CD1-CD2 4.34Å; L229-L231 HydrophobicContact CD2-CD2 4.23Å; L229-L231 HydrophobicContact CD2-CG 4.41Å; L229-L231 HydrophobicContact CG-CD2 4.1Å; L229-L231 HydrophobicContact CG-CG 4.39Å; L229-G243 CarbonylContact O-C 3.51Å; L229-G243 WeakPolarHBondContact O-CA 3.23Å; L229-F244 HydrophobicContact CB-CB 4.29Å; L229-F244 PolarHBondContact N-O 3.32Å; L229-F244 PolarHBondContact O-N 3.13Å; L229-L252 HydrophobicContact CB-CD1 3.67Å; L229-V255 HydrophobicContact CD2-CG1 4.35Å; L229-F256 HydrophobicContact CD1-CB 4.23Å; L229-F256 HydrophobicContact CD1-CD2 3.71Å; L229-F256 HydrophobicContact CD1-CG 4.44Å; L229-L259 HydrophobicContact CD2-CD1 3.63Å
230V96.4Very high92.7Very high14 Ų1447.3 Ų47.39%0.08526%0.261CS..EExtended strand (participates in β ladder)trans-115.3120.7176.6-176.90000108.7C218 K219 K221 V228 E232 T241 F242C218-V230 WeakPolarHBondContact CA-O 3.31Å; K219-V230 PolarHBondContact N-O 3.36Å; K219-V230 PolarHBondContact O-N 3.01Å; K221-V230 HydrophobicContact CB-CG2 4.14Å; K221-V230 HydrophobicContact CD-CG2 4.22Å; K221-V230 HydrophobicContact CG-CG2 4.33Å; V228-V230 HydrophobicContact CG2-CG2 3.96Å; V230-E232 HydrophobicContact CG1-CG 4.41Å; V230-T241 HydrophobicContact CG1-CG2 3.58Å; V230-F242 CarbonylContact C-O 3.49Å; V230-F242 WeakPolarHBondContact CA-O 3.42Å
231L97.3Very high92.6Very high2 Ų248.9 Ų48.91%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-107.8118.9174-55.8-175.2000108.9I196 L210 M215 S217 C218 L229 T241 F242 F244 L259I196-L231 HydrophobicContact CD1-CD1 3.76Å; L210-L231 HydrophobicContact CD2-CB 4.15Å; L210-L231 HydrophobicContact CD2-CD1 4Å; M215-L231 HydrophobicContact SD-CD2 3.96Å; S217-L231 WeakPolarHBondContact O-CA 3.35Å; C218-L231 HydrophobicContact CB-CD2 3.87Å; C218-L231 WeakPolarHBondContact SG-CD2 3.27Å; L229-L231 HydrophobicContact CD1-CD2 4.34Å; L229-L231 HydrophobicContact CD2-CD2 4.23Å; L229-L231 HydrophobicContact CD2-CG 4.41Å; L229-L231 HydrophobicContact CG-CD2 4.1Å; L229-L231 HydrophobicContact CG-CG 4.39Å; L231-T241 CarbonylContact O-C 3.57Å; L231-T241 WeakPolarHBondContact O-CA 3.24Å; L231-F242 HydrophobicContact CB-CB 4.46Å; L231-F242 PolarHBondContact N-O 2.86Å; L231-F242 PolarHBondContact O-N 3.37Å; L231-F244 HydrophobicContact CD1-CD2 4.35Å; L231-F244 HydrophobicContact CD1-CE2 3.86Å; L231-F244 HydrophobicContact CG-CD2 4.4Å; L231-F244 HydrophobicContact CG-CE2 4.19Å; L231-L259 HydrophobicContact CD2-CD1 4.37Å
232E96.2Very high92.6Very high37 Ų3745 Ų4517%0.17326%0.257CS..EExtended strand (participates in β ladder)trans-102.1132.7174.1-67.9166-177.500108.3K216 S217 K219 K221 V230 T241K216-E232 WeakPolarHBondContact CB-O 3.36Å; K216-E232 PolarHBondContact N-O 3.03Å; S217-E232 PolarHBondContact N-O 3.35Å; S217-E232 VanDerWaalsContact N-O 3.15Å; S217-E232 PolarHBondContact O-N 3.25Å; S217-E232 VanDerWaalsContact OG-CD 3.24Å; S217-E232 PolarHBondContact OG-OE2 3.48Å; K219-E232 IonicContact NZ-OE1 2.9Å; K219-E232 IonicContact NZ-OE2 3.32Å; K219-E232 PolarHBondContact NZ-OE2 2.94Å; K221-E232 IonicContact NZ-OE1 3.25Å; V230-E232 HydrophobicContact CG1-CG 4.41Å; E232-T241 HydrophobicContact CG-CG2 4.26Å
233T96.1Very high92.8Very high0 Ų039 Ų390%023%0.228CC..EExtended strand (participates in β ladder)trans-95.6160.9177.869.80000111.9L210 H214 S237 N240 F242L210-T233 HydrophobicContact CD1-CG2 3.62Å; L210-T233 HydrophobicContact CD2-CG2 4.12Å; H214-T233 CarbonylContact O-C 3.49Å; H214-T233 WeakPolarHBondContact O-CA 3.07Å; T233-S237 VanDerWaalsContact CB-OG 3.27Å; T233-S237 WeakPolarHBondContact CB-OG 3.37Å; T233-S237 PolarHBondContact OG1-OG 2.9Å; T233-N240 HydrophobicContact CG2-CB 4.39Å; T233-N240 PolarHBondContact N-O 2.83Å; T233-N240 WeakPolarHBondContact OG1-CA 3.47Å; T233-N240 WeakPolarHBondContact OG1-CB 3.15Å; T233-N240 PolarHBondContact OG1-N 2.9Å; T233-N240 PolarHBondContact OG1-O 2.77Å; T233-N240 VanDerWaalsContact OG1-O 3.1Å; T233-F242 HydrophobicContact CG2-CD2 4.08Å; T233-F242 HydrophobicContact CG2-CE2 3.57Å
234S94.8Very high93.2Very high0 Ų037.1 Ų37.10%021%0.214CC..PPolyproline II helixtrans-62.3160.917770.40000113.7D10 H214 Q236 S237 G238 N239D10-S234 WeakPolarHBondContact OD1-CB 3.36Å; D10-S234 WeakPolarHBondContact OD2-CA 3.47Å; D10-S234 WeakPolarHBondContact OD2-CB 3.37Å; H214-S234 PolarHBondContact ND1-OG 3.4Å; H214-S234 PolarHBondContact O-N 3.26Å; S234-Q236 VanDerWaalsContact C-N 3.25Å; S234-Q236 PolarHBondContact O-N 2.92Å; S234-S237 PolarHBondContact N-OG 2.8Å; S234-S237 PolarHBondContact O-N 3.03Å; S234-S237 VanDerWaalsContact O-N 3.16Å; S234-S237 PolarHBondContact O-OG 2.77Å; S234-S237 PolarHBondContact OG-N 2.9Å; S234-S237 PolarHBondContact OG-OG 2.9Å; S234-G238 PolarHBondContact O-N 2.86Å; S234-N239 WeakPolarHBondContact O-CA 3.38Å; S234-N239 PolarHBondContact O-N 2.68Å
235I92Very high93.6Very high78 Ų7833.7 Ų33.740%0.420%0.197SC..G310 helixtrans-60.1-40.6173.5-60.8170.8000110D10 S237 G238D10-I235 HydrophobicContact CB-CD1 4.38Å; D10-I235 VanDerWaalsContact CG-N 3.31Å; D10-I235 PolarHBondContact OD1-N 3.47Å; D10-I235 VanDerWaalsContact OD1-N 3.07Å; D10-I235 PolarHBondContact OD2-N 3.13Å; I235-S237 PolarHBondContact O-N 3.4Å; I235-S237 VanDerWaalsContact O-N 3.16Å; I235-G238 PolarHBondContact O-N 3.47Å
236Q90.5Very high94.1Very high31 Ų3130.7 Ų30.715%0.14518%0.184CC..G310 helixtrans-59.7-26.8178.1-68.3-177-104.500114.2Y9 D10 V11 I12 R16 S234Y9-Q236 HydrophobicContact CD1-CG 4.03Å; Y9-Q236 VanDerWaalsContact CD1-NE2 3.31Å; D10-Q236 WeakPolarHBondContact OD1-CG 3.29Å; D10-Q236 PolarHBondContact OD1-N 3.12Å; V11-Q236 VanDerWaalsContact CB-OE1 3.25Å; I12-Q236 PolarHBondContact O-NE2 3.46Å; I12-Q236 PolarHBondContact O-OE1 3.05Å; R16-Q236 VanDerWaalsContact NE-NE2 3.12Å; S234-Q236 VanDerWaalsContact C-N 3.25Å; S234-Q236 PolarHBondContact O-N 2.92Å
237S91.2Very high94.2Very high16 Ų1633.1 Ų33.111%0.11219%0.19CC..G310 helixtrans-100.315.6177.358.50000113.2T233 S234 I235 N240T233-S237 VanDerWaalsContact CB-OG 3.27Å; T233-S237 WeakPolarHBondContact CB-OG 3.37Å; T233-S237 PolarHBondContact OG1-OG 2.9Å; S234-S237 PolarHBondContact N-OG 2.8Å; S234-S237 PolarHBondContact O-N 3.03Å; S234-S237 VanDerWaalsContact O-N 3.16Å; S234-S237 PolarHBondContact O-OG 2.77Å; S234-S237 PolarHBondContact OG-N 2.9Å; S234-S237 PolarHBondContact OG-OG 2.9Å; I235-S237 PolarHBondContact O-N 3.4Å; I235-S237 VanDerWaalsContact O-N 3.16Å; S237-N240 PolarHBondContact O-ND2 2.83Å
238G90Very high94.3Very high53 Ų5334.9 Ų34.955%0.54620%0.202SC..THydrogen-bonded Turntrans93.46.8176.600000116S234 I235 N240S234-G238 PolarHBondContact O-N 2.86Å; I235-G238 PolarHBondContact O-N 3.47Å; G238-N240 PolarHBondContact O-N 3.14Å
239N91.9Very high94.1Very high86 Ų8641.5 Ų41.546%0.4623%0.226SC..  trans53.836.7178-163.655.2000113.8S234S234-N239 WeakPolarHBondContact O-CA 3.38Å; S234-N239 PolarHBondContact O-N 2.68Å
240N93.6Very high94Very high54 Ų5446.7 Ų46.729%0.28925%0.254SS..  trans-70.1149.3177.9-63.2-62000111.6T233 S237 G238 F242T233-N240 HydrophobicContact CG2-CB 4.39Å; T233-N240 PolarHBondContact N-O 2.83Å; T233-N240 WeakPolarHBondContact OG1-CA 3.47Å; T233-N240 WeakPolarHBondContact OG1-CB 3.15Å; T233-N240 PolarHBondContact OG1-N 2.9Å; T233-N240 PolarHBondContact OG1-O 2.77Å; T233-N240 VanDerWaalsContact OG1-O 3.1Å; S237-N240 PolarHBondContact O-ND2 2.83Å; G238-N240 PolarHBondContact O-N 3.14Å; N240-F242 HydrophobicContact CB-CE1 4.41Å; N240-F242 HydrophobicContact CB-CE2 4.16Å; N240-F242 HydrophobicContact CB-CZ 3.87Å
241T93.9Very high94Very high88 Ų8850.5 Ų50.554%0.5427%0.267SS..EExtended strand (participates in β ladder)trans-120.7129.3173.5-59.90000109.6V230 L231 E232V230-T241 HydrophobicContact CG1-CG2 3.58Å; L231-T241 CarbonylContact O-C 3.57Å; L231-T241 WeakPolarHBondContact O-CA 3.24Å; E232-T241 HydrophobicContact CG-CG2 4.26Å
242F94.8Very high94Very high18 Ų1850.5 Ų50.58%0.07927%0.267CS..EExtended strand (participates in β ladder)trans-117.8128.2178.3-55.1-66.3000110.4M151 I208 L210 V230 L231 T233 N240 F244M151-F242 HydrophobicContact SD-CE1 4.27Å; M151-F242 HydrophobicContact SD-CZ 4.27Å; I208-F242 HydrophobicContact CD1-CD1 3.69Å; I208-F242 HydrophobicContact CD1-CE1 3.77Å; I208-F242 HydrophobicContact CD1-CG 4.37Å; I208-F242 HydrophobicContact CG1-CE1 4.42Å; I208-F242 HydrophobicContact CG2-CE1 4.3Å; I208-F242 HydrophobicContact CG2-CE2 4.09Å; I208-F242 HydrophobicContact CG2-CZ 3.97Å; L210-F242 HydrophobicContact CD2-CD2 4.4Å; V230-F242 CarbonylContact C-O 3.49Å; V230-F242 WeakPolarHBondContact CA-O 3.42Å; L231-F242 HydrophobicContact CB-CB 4.46Å; L231-F242 PolarHBondContact N-O 2.86Å; L231-F242 PolarHBondContact O-N 3.37Å; T233-F242 HydrophobicContact CG2-CD2 4.08Å; T233-F242 HydrophobicContact CG2-CE2 3.57Å; N240-F242 HydrophobicContact CB-CE1 4.41Å; N240-F242 HydrophobicContact CB-CE2 4.16Å; N240-F242 HydrophobicContact CB-CZ 3.87Å; F242-F244 HydrophobicContact CB-CD2 4.34Å; F242-F244 HydrophobicContact CB-CE2 3.43Å; F242-F244 VanDerWaalsContact CB-CE2 3.43Å; F242-F244 HydrophobicContact CB-CZ 3.75Å; F242-F244 HydrophobicContact CG-CE2 4.47Å; F242-F244 HydrophobicContact CG-CZ 4.47Å
243G95.2Very high94Very high13 Ų1350.9 Ų50.913%0.13427%0.268CS..EExtended strand (participates in β ladder)trans-107.3129176.800000110.8N178 L179 L229N178-G243 PolarHBondContact OD1-O 2.8Å; L179-G243 PolarHBondContact N-O 3.03Å; L229-G243 CarbonylContact O-C 3.51Å; L229-G243 WeakPolarHBondContact O-CA 3.23Å
244F96.6Very high94Very high3 Ų354.6 Ų54.61%0.01329%0.288CS..EExtended strand (participates in β ladder)trans-126.7134.9178.5-55.8-85.7000111.7V176 W177 N178 F189 W198 I208 V228 L229 L231 F242 L246V176-F244 HydrophobicContact CG1-CB 4.02Å; V176-F244 HydrophobicContact CG1-CD1 3.98Å; V176-F244 HydrophobicContact CG1-CG 4.36Å; W177-F244 CarbonylContact O-C 3.55Å; W177-F244 WeakPolarHBondContact O-CA 3.23Å; N178-F244 HydrophobicContact CB-CD1 4.08Å; N178-F244 HydrophobicContact CB-CE1 3.97Å; F189-F244 HydrophobicContact CE1-CD1 4.03Å; F189-F244 HydrophobicContact CE1-CD2 4.35Å; F189-F244 AromaticContact CE1-CE1 3.85Å; F189-F244 HydrophobicContact CE1-CE1 3.85Å; F189-F244 HydrophobicContact CE1-CE2 4.17Å; F189-F244 HydrophobicContact CE1-CG 4.26Å; F189-F244 AromaticContact CE1-CZ 3.92Å; F189-F244 HydrophobicContact CE1-CZ 3.92Å; F189-F244 HydrophobicContact CE2-CB 4.23Å; F189-F244 HydrophobicContact CE2-CD1 4.42Å; F189-F244 HydrophobicContact CE2-CG 4.15Å; F189-F244 HydrophobicContact CZ-CB 4Å; F189-F244 AromaticContact CZ-CD1 3.6Å; F189-F244 HydrophobicContact CZ-CD1 3.6Å; F189-F244 AromaticContact CZ-CD2 3.59Å; F189-F244 HydrophobicContact CZ-CD2 3.59Å; F189-F244 AromaticContact CZ-CE1 3.88Å; F189-F244 HydrophobicContact CZ-CE1 3.88Å; F189-F244 AromaticContact CZ-CE2 3.84Å; F189-F244 HydrophobicContact CZ-CE2 3.84Å; F189-F244 AromaticContact CZ-CG 3.44Å; F189-F244 HydrophobicContact CZ-CG 3.44Å; F189-F244 VanDerWaalsContact CZ-CG 3.44Å; F189-F244 AromaticContact CZ-CZ 3.98Å; F189-F244 HydrophobicContact CZ-CZ 3.98Å; W198-F244 HydrophobicContact CB-CE1 3.94Å; W198-F244 HydrophobicContact CB-CZ 4.37Å; W198-F244 AromaticContact CD1-CE1 3.85Å; W198-F244 HydrophobicContact CD2-CE1 4.06Å; W198-F244 HydrophobicContact CG-CD1 4.33Å; W198-F244 AromaticContact CG-CE1 3.66Å; W198-F244 HydrophobicContact CG-CE1 3.66Å; I208-F244 HydrophobicContact CD1-CZ 4.43Å; V228-F244 CarbonylContact C-O 3.28Å; V228-F244 WeakPolarHBondContact CA-O 3.45Å; V228-F244 WeakPolarHBondContact CB-O 3.09Å; L229-F244 HydrophobicContact CB-CB 4.29Å; L229-F244 PolarHBondContact N-O 3.32Å; L229-F244 PolarHBondContact O-N 3.13Å; L231-F244 HydrophobicContact CD1-CD2 4.35Å; L231-F244 HydrophobicContact CD1-CE2 3.86Å; L231-F244 HydrophobicContact CG-CD2 4.4Å; L231-F244 HydrophobicContact CG-CE2 4.19Å; F242-F244 HydrophobicContact CB-CD2 4.34Å; F242-F244 HydrophobicContact CB-CE2 3.43Å; F242-F244 VanDerWaalsContact CB-CE2 3.43Å; F242-F244 HydrophobicContact CB-CZ 3.75Å; F242-F244 HydrophobicContact CG-CE2 4.47Å; F242-F244 HydrophobicContact CG-CZ 4.47Å; F244-L246 HydrophobicContact CB-CD1 4.22Å
245R95Very high94.2Very high78 Ų7854.7 Ų54.729%0.29429%0.289SS..EExtended strand (participates in β ladder)trans-107.8135173.6177.1179165.4-177.4-4.5110.1W177 L179 F225 V228 D247W177-R245 HydrophobicContact CB-CB 4.16Å; W177-R245 PolarHBondContact N-O 3.24Å; W177-R245 PolarHBondContact O-N 2.89Å; L179-R245 HydrophobicContact CD1-CB 4.04Å; F225-R245 PolarHBondContact O-NH1 3.05Å; V228-R245 HydrophobicContact CG1-CB 4.13Å; R245-D247 IonicContact CZ-OD2 3.45Å; R245-D247 VanDerWaalsContact CZ-OD2 3.27Å; R245-D247 IonicContact NE-OD1 3.81Å; R245-D247 IonicContact NE-OD2 3.48Å; R245-D247 PolarHBondContact NE-OD2 3.41Å; R245-D247 IonicContact NH2-OD1 3.46Å; R245-D247 IonicContact NH2-OD2 2.88Å; R245-D247 PolarHBondContact NH2-OD2 3.26Å
246L95.2Very high94.5Very high2 Ų253 Ų531%0.0128%0.279CS..  trans-135131.1176.2-63.391.8000108.6V173 V176 F189 F244 L252 V255V173-L246 HydrophobicContact CG1-CD2 3.78Å; V176-L246 HydrophobicContact CB-CG 4.46Å; V176-L246 HydrophobicContact CG1-CD1 4.12Å; V176-L246 HydrophobicContact CG1-CG 4.13Å; V176-L246 HydrophobicContact CG2-CD2 3.73Å; V176-L246 HydrophobicContact CG2-CG 4.02Å; F189-L246 HydrophobicContact CE2-CD1 4.33Å; F244-L246 HydrophobicContact CB-CD1 4.22Å; L246-L252 HydrophobicContact CB-CB 4.14Å; L246-L252 HydrophobicContact CB-CD1 4.34Å; L246-L252 HydrophobicContact CD1-CD1 3.66Å; L246-V255 HydrophobicContact CD2-CB 4.36Å; L246-V255 HydrophobicContact CD2-CG2 3.92Å
247D91.9Very high94.8Very high77 Ų7757.8 Ų57.841%0.41230%0.295SS..SBendtrans-117.5143.9176.7-68.2-48.9000110.6R245 R251R245-D247 IonicContact CZ-OD2 3.45Å; R245-D247 VanDerWaalsContact CZ-OD2 3.27Å; R245-D247 IonicContact NE-OD1 3.81Å; R245-D247 IonicContact NE-OD2 3.48Å; R245-D247 PolarHBondContact NE-OD2 3.41Å; R245-D247 IonicContact NH2-OD1 3.46Å; R245-D247 IonicContact NH2-OD2 2.88Å; R245-D247 PolarHBondContact NH2-OD2 3.26Å; D247-R251 PolarHBondContact O-NH1 2.79Å
248P94.7Very high95.1Very high77 Ų7759.1 Ų59.150%0.530%0.301SS..SBendcis-72.5172.3-9.932.5-37.9000112.7D250 R251 L252P248-D250 PolarHBondContact O-N 3.25Å; P248-D250 VanDerWaalsContact O-N 3.12Å; P248-R251 HydrophobicContact CG-CG 4.36Å; P248-R251 WeakPolarHBondContact O-CB 3.42Å; P248-R251 PolarHBondContact O-N 2.94Å; P248-L252 PolarHBondContact O-N 3.01Å
249R92.5Very high95.5Very high145 Ų14556.6 Ų56.655%0.54728%0.275SS..Hα-helixtrans-51.5-35.7-179.3-179.1177171.9163.62.2113.9R251 L252 E253R249-R251 VanDerWaalsContact C-N 3.28Å; R249-R251 PolarHBondContact O-N 3.42Å; R249-L252 WeakPolarHBondContact O-CA 3.38Å; R249-L252 VanDerWaalsContact O-CB 3.29Å; R249-L252 WeakPolarHBondContact O-CB 3.44Å; R249-L252 PolarHBondContact O-N 3.36Å; R249-L252 VanDerWaalsContact O-N 3.07Å; R249-E253 HydrophobicContact CG-CG 4.39Å; R249-E253 IonicContact CZ-OE1 3.41Å; R249-E253 IonicContact NE-OE1 3.11Å; R249-E253 PolarHBondContact NE-OE1 3.25Å; R249-E253 IonicContact NH2-OE1 3.35Å; R249-E253 PolarHBondContact NH2-OE1 3.46Å; R249-E253 PolarHBondContact O-N 3.29Å
250D95.1Very high95.7Very high109 Ų10955.8 Ų55.858%0.58327%0.271SS*.Hα-helixtrans-61.9-37.8179.5-57.7-22.3000111.8P248 L252 E253 D254P248-D250 PolarHBondContact O-N 3.25Å; P248-D250 VanDerWaalsContact O-N 3.12Å; D250-L252 VanDerWaalsContact C-N 3.33Å; D250-L252 PolarHBondContact O-N 3.22Å; D250-E253 PolarHBondContact O-N 3.12Å; D250-D254 PolarHBondContact O-N 2.91Å
251R95.9Very high95.9Very high94 Ų9458.7 Ų58.736%0.35529%0.286SS..Hα-helixtrans-65.4-38.3174.4-70.5-177.470-154.32.8111.8D174 D247 P248 R249 D254 V255D174-R251 PolarHBondContact O-NH2 2.91Å; D247-R251 PolarHBondContact O-NH1 2.79Å; P248-R251 HydrophobicContact CG-CG 4.36Å; P248-R251 WeakPolarHBondContact O-CB 3.42Å; P248-R251 PolarHBondContact O-N 2.94Å; R249-R251 VanDerWaalsContact C-N 3.28Å; R249-R251 PolarHBondContact O-N 3.42Å; R251-D254 PolarHBondContact O-N 2.93Å; R251-V255 WeakPolarHBondContact O-CG2 3.37Å; R251-V255 PolarHBondContact O-N 3.24Å
252L96.6Very high96.1Very high1 Ų155.7 Ų55.71%0.00527%0.266CS..Hα-helixtrans-61.9-44.9175.2174.864.3000110.7M220 P227 L229 L246 P248 R249 D250 V255 F256M220-L252 HydrophobicContact CE-CD2 3.66Å; M220-L252 HydrophobicContact CE-CG 3.83Å; M220-L252 HydrophobicContact SD-CG 4.31Å; P227-L252 HydrophobicContact CB-CD2 3.7Å; L229-L252 HydrophobicContact CB-CD1 3.67Å; L246-L252 HydrophobicContact CB-CB 4.14Å; L246-L252 HydrophobicContact CB-CD1 4.34Å; L246-L252 HydrophobicContact CD1-CD1 3.66Å; P248-L252 PolarHBondContact O-N 3.01Å; R249-L252 WeakPolarHBondContact O-CA 3.38Å; R249-L252 VanDerWaalsContact O-CB 3.29Å; R249-L252 WeakPolarHBondContact O-CB 3.44Å; R249-L252 PolarHBondContact O-N 3.36Å; R249-L252 VanDerWaalsContact O-N 3.07Å; D250-L252 VanDerWaalsContact C-N 3.33Å; D250-L252 PolarHBondContact O-N 3.22Å; L252-V255 PolarHBondContact O-N 3.04Å; L252-F256 VanDerWaalsContact O-CB 3.28Å; L252-F256 WeakPolarHBondContact O-CB 3.34Å; L252-F256 PolarHBondContact O-N 3.29Å
253E96.7Very high96.2Very high45 Ų4555.5 Ų55.521%0.2127%0.268CS..Hα-helixtrans-65.1-40.5178.7-69.7-176.1-172.800112.3M220 R249 D250 F256 R257M220-E253 HydrophobicContact CE-CG 3.79Å; M220-E253 HydrophobicContact SD-CG 4Å; R249-E253 HydrophobicContact CG-CG 4.39Å; R249-E253 IonicContact CZ-OE1 3.41Å; R249-E253 IonicContact NE-OE1 3.11Å; R249-E253 PolarHBondContact NE-OE1 3.25Å; R249-E253 IonicContact NH2-OE1 3.35Å; R249-E253 PolarHBondContact NH2-OE1 3.46Å; R249-E253 PolarHBondContact O-N 3.29Å; D250-E253 PolarHBondContact O-N 3.12Å; E253-F256 PolarHBondContact O-N 2.69Å; E253-R257 WeakPolarHBondContact O-CG 3.18Å; E253-R257 PolarHBondContact O-N 2.68Å; E253-R257 IonicContact OE2-NH2 3.29Å; E253-R257 PolarHBondContact OE2-NH2 2.88Å
254D96.8Very high96.2Very high78 Ų7858 Ų5842%0.41729%0.287SS..Hα-helixtrans-63.8-44.1175.9-76.8-13.8000112.5D250 R251 R257 L258D250-D254 PolarHBondContact O-N 2.91Å; R251-D254 PolarHBondContact O-N 2.93Å; D254-R257 IonicContact OD1-NH1 3.59Å; D254-R257 PolarHBondContact OD1-NH1 2.86Å; D254-L258 WeakPolarHBondContact O-CB 3.38Å; D254-L258 PolarHBondContact O-N 3.22Å
255V97.5Very high96.2Very high2 Ų260.9 Ų60.91%0.01231%0.311CS..Hα-helixtrans-64.3-44.5175.8171.30000110.2V173 F189 I191 L229 L246 R251 L252 R257 L258 L259V173-V255 HydrophobicContact CG1-CG2 4.12Å; V173-V255 HydrophobicContact CG2-CG2 3.84Å; F189-V255 HydrophobicContact CD2-CG1 4.48Å; I191-V255 HydrophobicContact CD1-CG1 4.11Å; L229-V255 HydrophobicContact CD2-CG1 4.35Å; L246-V255 HydrophobicContact CD2-CB 4.36Å; L246-V255 HydrophobicContact CD2-CG2 3.92Å; R251-V255 WeakPolarHBondContact O-CG2 3.37Å; R251-V255 PolarHBondContact O-N 3.24Å; L252-V255 PolarHBondContact O-N 3.04Å; V255-R257 PolarHBondContact O-N 2.85Å; V255-L258 PolarHBondContact O-N 3.24Å; V255-L259 HydrophobicContact CG1-CD1 3.99Å; V255-L259 HydrophobicContact CG1-CG 4.2Å; V255-L259 VanDerWaalsContact O-CG 3.28Å; V255-L259 WeakPolarHBondContact O-CG 3.27Å; V255-L259 PolarHBondContact O-N 2.86Å
256F98Very high96.3Very high43 Ų4357.6 Ų57.619%0.18930%0.299CS..Hα-helixtrans-56.7-50.1177.4174.6-114.2000112.2C218 M220 L229 L252 E253 L258 L259 L260C218-F256 WeakPolarHBondContact O-CE2 3.37Å; M220-F256 HydrophobicContact CG-CB 4.1Å; M220-F256 HydrophobicContact CG-CD1 4.05Å; M220-F256 HydrophobicContact CG-CD2 3.87Å; M220-F256 HydrophobicContact CG-CE1 4.44Å; M220-F256 HydrophobicContact CG-CE2 4.28Å; M220-F256 HydrophobicContact CG-CG 3.73Å; M220-F256 HydrophobicContact SD-CB 3.83Å; M220-F256 HydrophobicContact SD-CD1 3.69Å; M220-F256 HydrophobicContact SD-CD2 4.48Å; M220-F256 HydrophobicContact SD-CE1 4.36Å; M220-F256 HydrophobicContact SD-CG 3.74Å; L229-F256 HydrophobicContact CD1-CB 4.23Å; L229-F256 HydrophobicContact CD1-CD2 3.71Å; L229-F256 HydrophobicContact CD1-CG 4.44Å; L252-F256 VanDerWaalsContact O-CB 3.28Å; L252-F256 WeakPolarHBondContact O-CB 3.34Å; L252-F256 PolarHBondContact O-N 3.29Å; E253-F256 PolarHBondContact O-N 2.69Å; F256-L258 PolarHBondContact O-N 3.36Å; F256-L259 PolarHBondContact O-N 2.8Å; F256-L260 HydrophobicContact CD1-CD1 4.25Å; F256-L260 HydrophobicContact CE1-CD1 3.68Å; F256-L260 HydrophobicContact CE2-CD1 3.96Å; F256-L260 HydrophobicContact CE2-CD2 4.35Å; F256-L260 HydrophobicContact CE2-CG 4.14Å; F256-L260 HydrophobicContact CZ-CD1 3.52Å; F256-L260 HydrophobicContact CZ-CG 4.22Å; F256-L260 WeakPolarHBondContact O-CG 3.41Å; F256-L260 PolarHBondContact O-N 3.12Å; F256-L260 VanDerWaalsContact O-N 3.08Å
257R97.7Very high96.3Very high131 Ų13161.4 Ų61.449%0.49432%0.316SS..Hα-helixtrans-61.9-42177.3-68.4179.5-155.8133.25.6112.1E253 D254 V255 L259 L260 N261E253-R257 WeakPolarHBondContact O-CG 3.18Å; E253-R257 PolarHBondContact O-N 2.68Å; E253-R257 IonicContact OE2-NH2 3.29Å; E253-R257 PolarHBondContact OE2-NH2 2.88Å; D254-R257 IonicContact OD1-NH1 3.59Å; D254-R257 PolarHBondContact OD1-NH1 2.86Å; V255-R257 PolarHBondContact O-N 2.85Å; R257-L259 PolarHBondContact O-N 2.93Å; R257-L260 PolarHBondContact O-N 2.95Å; R257-N261 VanDerWaalsContact O-CG 3.3Å; R257-N261 PolarHBondContact O-N 2.88Å; R257-N261 PolarHBondContact O-ND2 2.79Å
258L97.6Very high96.4Very high44 Ų4460.9 Ų60.923%0.2332%0.323CS..Hα-helixtrans-60-45.9177.4177.361.7000111.6K171 I191 D254 V255 F256 N261 L262K171-L258 HydrophobicContact CB-CD2 3.83Å; K171-L258 HydrophobicContact CD-CD2 3.62Å; K171-L258 HydrophobicContact CG-CD2 4.36Å; I191-L258 HydrophobicContact CD1-CD2 3.92Å; I191-L258 HydrophobicContact CG2-CD2 4.23Å; D254-L258 WeakPolarHBondContact O-CB 3.38Å; D254-L258 PolarHBondContact O-N 3.22Å; V255-L258 PolarHBondContact O-N 3.24Å; F256-L258 PolarHBondContact O-N 3.36Å; L258-N261 PolarHBondContact O-N 2.88Å; L258-L262 HydrophobicContact CD1-CD1 3.74Å; L258-L262 HydrophobicContact CD1-CG 4.01Å; L258-L262 HydrophobicContact CG-CD1 3.85Å; L258-L262 HydrophobicContact CG-CG 4.47Å; L258-L262 WeakPolarHBondContact O-CB 3.23Å; L258-L262 WeakPolarHBondContact O-CG 3.39Å; L258-L262 PolarHBondContact O-N 2.9Å
259L98.1Very high96.3Very high0 Ų061.4 Ų61.40%033%0.327CS..Hα-helixtrans-65.5-39-179.9-68.1-177.9000112.6I191 I196 Y212 L229 L231 V255 F256 R257 S263I191-L259 HydrophobicContact CD1-CD2 4.01Å; I191-L259 HydrophobicContact CG1-CD2 4.2Å; I191-L259 HydrophobicContact CG2-CD2 3.81Å; I196-L259 HydrophobicContact CD1-CD1 3.82Å; I196-L259 HydrophobicContact CD1-CD2 3.44Å; I196-L259 VanDerWaalsContact CD1-CD2 3.44Å; I196-L259 HydrophobicContact CD1-CG 4.16Å; I196-L259 HydrophobicContact CG1-CD2 3.61Å; Y212-L259 HydrophobicContact CE1-CD2 4.29Å; L229-L259 HydrophobicContact CD2-CD1 3.63Å; L231-L259 HydrophobicContact CD2-CD1 4.37Å; V255-L259 HydrophobicContact CG1-CD1 3.99Å; V255-L259 HydrophobicContact CG1-CG 4.2Å; V255-L259 VanDerWaalsContact O-CG 3.28Å; V255-L259 WeakPolarHBondContact O-CG 3.27Å; V255-L259 PolarHBondContact O-N 2.86Å; F256-L259 PolarHBondContact O-N 2.8Å; R257-L259 PolarHBondContact O-N 2.93Å; L259-S263 WeakPolarHBondContact O-CB 3.44Å; L259-S263 PolarHBondContact O-N 2.81Å
260L97.3Very high96.4Very high70 Ų7055 Ų5537%0.36630%0.304SS..Hα-helixtrans-61.7-46.2174.3-71.6179.2000111.7C218 F256 R257 S263 A264C218-L260 HydrophobicContact CB-CD2 4.01Å; F256-L260 HydrophobicContact CD1-CD1 4.25Å; F256-L260 HydrophobicContact CE1-CD1 3.68Å; F256-L260 HydrophobicContact CE2-CD1 3.96Å; F256-L260 HydrophobicContact CE2-CD2 4.35Å; F256-L260 HydrophobicContact CE2-CG 4.14Å; F256-L260 HydrophobicContact CZ-CD1 3.52Å; F256-L260 HydrophobicContact CZ-CG 4.22Å; F256-L260 WeakPolarHBondContact O-CG 3.41Å; F256-L260 PolarHBondContact O-N 3.12Å; F256-L260 VanDerWaalsContact O-N 3.08Å; R257-L260 PolarHBondContact O-N 2.95Å; L260-S263 PolarHBondContact O-N 3.3Å; L260-A264 WeakPolarHBondContact O-CB 3.39Å; L260-A264 PolarHBondContact O-N 2.98Å
261N97.4Very high96.5Very high114 Ų11452.2 Ų52.261%0.6129%0.289SS*.Hα-helixtrans-64.7-46.8-179.7-70.3-15.3000112R257 L258 A264 A265R257-N261 VanDerWaalsContact O-CG 3.3Å; R257-N261 PolarHBondContact O-N 2.88Å; R257-N261 PolarHBondContact O-ND2 2.79Å; L258-N261 PolarHBondContact O-N 2.88Å; N261-A264 PolarHBondContact O-N 2.88Å; N261-A265 WeakPolarHBondContact O-CB 3.45Å; N261-A265 PolarHBondContact O-N 3.31Å
262L97.5Very high96.5Very high25 Ų2547.9 Ų47.913%0.13127%0.273CS..Hα-helixtrans-65.6-39.4178.8-72.3172.7000111.9Q170 I191 Y212 L258 A265 Y266Q170-L262 HydrophobicContact CB-CD1 4.33Å; Q170-L262 HydrophobicContact CG-CD1 4.24Å; Q170-L262 HydrophobicContact CG-CD2 4.14Å; I191-L262 HydrophobicContact CG2-CD1 3.44Å; I191-L262 VanDerWaalsContact CG2-CD1 3.44Å; Y212-L262 HydrophobicContact CE1-CB 4.39Å; Y212-L262 HydrophobicContact CE2-CB 3.92Å; Y212-L262 WeakPolarHBondContact OH-CD1 3.17Å; L258-L262 HydrophobicContact CD1-CD1 3.74Å; L258-L262 HydrophobicContact CD1-CG 4.01Å; L258-L262 HydrophobicContact CG-CD1 3.85Å; L258-L262 HydrophobicContact CG-CG 4.47Å; L258-L262 WeakPolarHBondContact O-CB 3.23Å; L258-L262 WeakPolarHBondContact O-CG 3.39Å; L258-L262 PolarHBondContact O-N 2.9Å; L262-A265 PolarHBondContact O-N 3.02Å; L262-Y266 WeakPolarHBondContact O-CB 3.02Å; L262-Y266 PolarHBondContact O-N 3.47Å
263S96.6Very high96.5Very high15 Ų1548.1 Ų48.111%0.10528%0.275CS..Hα-helixtrans-63.7-44.4174.8-176.90000112.3M215 L259 L260 Y266 H267M215-S263 VanDerWaalsContact CE-OG 3.23Å; M215-S263 WeakPolarHBondContact CE-OG 3.05Å; L259-S263 WeakPolarHBondContact O-CB 3.44Å; L259-S263 PolarHBondContact O-N 2.81Å; L260-S263 PolarHBondContact O-N 3.3Å; S263-Y266 PolarHBondContact O-N 3.35Å; S263-H267 PolarHBondContact O-N 3.15Å; S263-H267 PolarHBondContact O-ND1 2.99Å; S263-H267 PolarHBondContact OG-CE1 3.14Å; S263-H267 PolarHBondContact OG-ND1 2.73Å
264A96.3Very high96.5Very high65 Ų6546.3 Ų46.354%0.53727%0.267SS..Hα-helixtrans-62.5-43.6176.600000111.5L260 N261 H267 A268L260-A264 WeakPolarHBondContact O-CB 3.39Å; L260-A264 PolarHBondContact O-N 2.98Å; N261-A264 PolarHBondContact O-N 2.88Å; A264-H267 PolarHBondContact O-N 2.67Å; A264-A268 PolarHBondContact O-N 3.02Å; A264-A268 VanDerWaalsContact O-N 3.12Å
265A96.3Very high96.3Very high64 Ų6447.2 Ų47.253%0.52927%0.269SS..Hα-helixtrans-61.6-44.4175.800000111.9N261 L262 A268 C269N261-A265 WeakPolarHBondContact O-CB 3.45Å; N261-A265 PolarHBondContact O-N 3.31Å; L262-A265 PolarHBondContact O-N 3.02Å; A265-A268 PolarHBondContact O-N 2.86Å; A265-C269 PolarHBondContact O-N 2.9Å
266Y97Very high95.7Very high8 Ų849.1 Ų49.13%0.03128%0.279CS..Hα-helixtrans-61.6-45.2176.7-179.1-88.4000111.7I194 Y212 L213 L262 S263 A268 C269 P270 I271I194-Y266 HydrophobicContact CB-CE2 4.49Å; I194-Y266 HydrophobicContact CG1-CE2 4.42Å; I194-Y266 HydrophobicContact CG2-CE2 4.25Å; Y212-Y266 HydrophobicContact CD2-CD2 4.37Å; Y212-Y266 HydrophobicContact CD2-CG 4.22Å; Y212-Y266 HydrophobicContact CG-CG 4.4Å; L213-Y266 HydrophobicContact CB-CE1 3.76Å; L213-Y266 HydrophobicContact CD1-CE1 4.32Å; L262-Y266 WeakPolarHBondContact O-CB 3.02Å; L262-Y266 PolarHBondContact O-N 3.47Å; S263-Y266 PolarHBondContact O-N 3.35Å; Y266-A268 VanDerWaalsContact C-N 3.27Å; Y266-A268 PolarHBondContact O-N 3.1Å; Y266-C269 CarbonylContact O-C 3.58Å; Y266-C269 PolarHBondContact O-N 3.3Å; Y266-P270 HydrophobicContact CE1-CB 3.98Å; Y266-P270 WeakPolarHBondContact O-CA 3.36Å; Y266-P270 WeakPolarHBondContact O-CD 3.33Å; Y266-P270 WeakPolarHBondContact O-CG 3.26Å; Y266-I271 HydrophobicContact CE2-CB 4.34Å; Y266-I271 PolarHBondContact OH-O 2.5Å
267H94.1Very high94.4Very high82 Ų8253.9 Ų53.938%0.3831%0.311SS..Hα-helixtrans-68.7-24.9-179.3-74.298.2000113.5Y212 S263 A264Y212-H267 PolarHBondContact O-CE1 3.39Å; Y212-H267 PolarHBondContact O-NE2 3.08Å; S263-H267 PolarHBondContact O-N 3.15Å; S263-H267 PolarHBondContact O-ND1 2.99Å; S263-H267 PolarHBondContact OG-CE1 3.14Å; S263-H267 PolarHBondContact OG-ND1 2.73Å; A264-H267 PolarHBondContact O-N 2.67Å
268A94.1Very high92.5Very high66 Ų6656.2 Ų56.255%0.54532%0.32SS..Hα-helixtrans-66.4-41.917300000111.7N31 A264 A265 Y266N31-A268 PolarHBondContact ND2-O 2.85Å; A264-A268 PolarHBondContact O-N 3.02Å; A264-A268 VanDerWaalsContact O-N 3.12Å; A265-A268 PolarHBondContact O-N 2.86Å; Y266-A268 VanDerWaalsContact C-N 3.27Å; Y266-A268 PolarHBondContact O-N 3.1Å
269C93.4Very high90.1Very high88 Ų8858.7 Ų58.760%0.59534%0.342SS*.SBendtrans-139.981178-165.80000111.3A265 Y266A265-C269 PolarHBondContact O-N 2.9Å; Y266-C269 CarbonylContact O-C 3.58Å; Y266-C269 PolarHBondContact O-N 3.3Å
270P95.7Very high87.2Confident10 Ų1067.5 Ų67.57%0.06538%0.382CS..  trans-64.4138.3-175.1-24.234.3000112.8G32 Y266 F272G32-P270 WeakPolarHBondContact CA-O 3.37Å; Y266-P270 HydrophobicContact CE1-CB 3.98Å; Y266-P270 WeakPolarHBondContact O-CA 3.36Å; Y266-P270 WeakPolarHBondContact O-CD 3.33Å; Y266-P270 WeakPolarHBondContact O-CG 3.26Å; P270-F272 HydrophobicContact CB-CE1 3.83Å; P270-F272 HydrophobicContact CB-CE2 4.1Å; P270-F272 HydrophobicContact CB-CZ 3.47Å; P270-F272 VanDerWaalsContact CB-CZ 3.47Å; P270-F272 HydrophobicContact CG-CZ 4.18Å
271I96.2Very high84.2Confident51 Ų5173 Ų7326%0.26241%0.406SS..  trans-102.9111.8173.5-55171.5000108.3Y146 L166 I194 Y266Y146-I271 HydrophobicContact CD1-CG2 4.08Å; Y146-I271 HydrophobicContact CE1-CG2 3.97Å; L166-I271 HydrophobicContact CB-CG2 4.23Å; L166-I271 HydrophobicContact CD1-CG2 3.69Å; I194-I271 HydrophobicContact CG1-CB 4.41Å; I194-I271 HydrophobicContact CG1-CD1 4.34Å; Y266-I271 HydrophobicContact CE2-CB 4.34Å; Y266-I271 PolarHBondContact OH-O 2.5Å
272F96.9Very high81.3Confident4 Ų471.6 Ų71.62%0.01841%0.406CS..  trans-90.3-5.4-178.8-59-61.8000114.6I12 G32 L60 R147 L213 P270 V274I12-F272 HydrophobicContact CD1-CE1 4.04Å; I12-F272 HydrophobicContact CD1-CZ 4.43Å; G32-F272 WeakPolarHBondContact O-CD2 3.35Å; L60-F272 HydrophobicContact CD1-CD2 3.85Å; L60-F272 HydrophobicContact CD1-CE2 3.71Å; L60-F272 HydrophobicContact CD1-CG 4.43Å; L60-F272 HydrophobicContact CD1-CZ 4.22Å; L60-F272 HydrophobicContact CD2-CB 3.94Å; L60-F272 HydrophobicContact CD2-CD1 4.29Å; L60-F272 HydrophobicContact CD2-CD2 3.83Å; L60-F272 HydrophobicContact CD2-CE2 4.49Å; L60-F272 HydrophobicContact CD2-CG 3.75Å; L60-F272 HydrophobicContact CG-CD2 4.1Å; L60-F272 HydrophobicContact CG-CE2 4.46Å; R147-F272 PolarHBondContact NH1-O 3.22Å; L213-F272 HydrophobicContact CD1-CE1 4.04Å; L213-F272 HydrophobicContact CD2-CD1 4.4Å; L213-F272 HydrophobicContact CD2-CE1 4.28Å; P270-F272 HydrophobicContact CB-CE1 3.83Å; P270-F272 HydrophobicContact CB-CE2 4.1Å; P270-F272 HydrophobicContact CB-CZ 3.47Å; P270-F272 VanDerWaalsContact CB-CZ 3.47Å; P270-F272 HydrophobicContact CG-CZ 4.18Å; F272-V274 VanDerWaalsContact C-N 3.31Å; F272-V274 HydrophobicContact CB-CG2 4.43Å; F272-V274 PolarHBondContact O-N 3.28Å
273G96.2Very high78.3Confident5 Ų576.5 Ų76.55%0.05244%0.437CS..  trans80.32.5177.200000115.9S143 Y146 E275S143-G273 WeakPolarHBondContact CB-O 3.45Å; S143-G273 PolarHBondContact OG-O 3.42Å; Y146-G273 VanDerWaalsContact CG-CA 3.49Å; G273-E275 PolarHBondContact O-N 3.2Å
274V96.3Very high75.4Confident8 Ų883.4 Ų83.45%0.04847%0.468CS..  trans-8592.7-178.4-171.70000109.8N59 V136 A139 Y140 F272 I276N59-V274 HydrophobicContact CB-CB 4.04Å; N59-V274 HydrophobicContact CB-CG1 4.06Å; V136-V274 HydrophobicContact CG1-CG1 4.2Å; A139-V274 HydrophobicContact CB-CG1 4Å; Y140-V274 HydrophobicContact CD2-CG2 3.87Å; Y140-V274 HydrophobicContact CG-CG2 4.49Å; F272-V274 VanDerWaalsContact C-N 3.31Å; F272-V274 HydrophobicContact CB-CG2 4.43Å; F272-V274 PolarHBondContact O-N 3.28Å; V274-I276 HydrophobicContact CG1-CG1 4.47Å
275E91.3Very high72.5Confident97 Ų9789.4 Ų89.445%0.45348%0.478SS..  trans-90.4122.6-179.6-67179.595.600111.3P165 L166 G273P165-E275 WeakPolarHBondContact CB-OE2 3.33Å; P165-E275 WeakPolarHBondContact CG-OE2 3.36Å; L166-E275 HydrophobicContact CD1-CG 3.95Å; L166-E275 WeakPolarHBondContact CD2-OE1 3.41Å; L166-E275 HydrophobicContact CG-CG 4.28Å; G273-E275 PolarHBondContact O-N 3.2Å
276I86.9Confident69.8Low41 Ų4189.6 Ų89.621%0.2147%0.469CS..  trans-134.4128.5174.6-58.3-75.8000107.5V36 L135 V136 A139 V274 R278V36-I276 HydrophobicContact CG1-CB 4.49Å; V36-I276 HydrophobicContact CG1-CG2 3.83Å; V36-I276 HydrophobicContact CG2-CG1 4.47Å; L135-I276 HydrophobicContact CB-CD1 4.33Å; V136-I276 HydrophobicContact CB-CD1 4.27Å; V136-I276 HydrophobicContact CG2-CD1 3.77Å; V136-I276 HydrophobicContact CG2-CG1 3.92Å; A139-I276 HydrophobicContact CB-CD1 3.92Å; V274-I276 HydrophobicContact CG1-CG1 4.47Å; I276-R278 PolarHBondContact O-N 2.83Å
277T69.9Low66.9Low143 Ų14393.1 Ų93.188%0.87749%0.493SS*.  trans-62.7105.6173.3-50.50000108.5S279T277-S279 PolarHBondContact O-N 3.36Å
278R56.8Low64.1Low180 Ų18097.6 Ų97.668%0.67951%0.514SS*.PPolyproline II helixtrans-62.6118.7-177.9-68-180176.6169.8-0.9109.3I276 Q280I276-R278 PolarHBondContact O-N 2.83Å; R278-Q280 PolarHBondContact O-N 3.05Å
279S48.7Very low61.3Low97 Ų9799.3 Ų99.368%0.67852%0.518SS*.PPolyproline II helixtrans-66.4119.4154.649.20000106.6T277T277-S279 PolarHBondContact O-N 3.36Å
280Q36Very low58.4Low184 Ų184101.6 Ų101.686%0.8653%0.53SS*.SBendtrans-54.9142.3177.1-72.2178.9-20.600109.7R278R278-Q280 PolarHBondContact O-N 3.05Å
281E34.3Very low55.4Low185 Ų185105.2 Ų105.286%0.86456%0.56SS**  trans91.190.8175.8-52.9-178.2-179.600117.2
282S36.3Very low52.4Low86 Ų86111.6 Ų111.660%0.60159%0.589SS**  -162.4106.6113.3620000109.9
283T34.2Very low49.3Very low128 Ų128118 Ų11879%0.78562%0.623SS**  trans-64.6136.3171.1-21.20000109.3Y285T283-Y285 PolarHBondContact O-N 2.92Å
284Q35.5Very low46.5Very low160 Ų160126.2 Ų126.275%0.74867%0.666SS**  trans-34.7108.6177.4-66.4160.6-16.400114.9
285Y35.8Very low43.8Very low191 Ų191130.8 Ų130.875%0.74969%0.689SS**  trans-140.388.9145.2-70.9-79.7000107.9K38 T283K38-Y285 PolarHBondContact NZ-O 3.36Å; T283-Y285 PolarHBondContact O-N 2.92Å
286L40.9Very low41.2Very low67 Ų67135 Ų13535%0.35171%0.709SS.*  trans-66.4143.4146.5-82.7153.6000106.1Q288L286-Q288 PolarHBondContact O-N 3.19Å
287P35.5Very low38.9Very low83 Ų83140 Ų14054%0.53973%0.734SS.*  trans-53.2121.2179.1-17.428.7000108.4T289P287-T289 VanDerWaalsContact C-N 3.31Å; P287-T289 PolarHBondContact O-N 3.28Å
288Q35.1Very low37.2Very low176 Ų176138.7 Ų138.782%0.82272%0.722SS**  trans-60.8107.8158.6-79-176.7-20.100104.6L286 T290L286-Q288 PolarHBondContact O-N 3.19Å; Q288-T290 PolarHBondContact O-N 3.01Å
289T34.5Very low36.4Very low102 Ų102136 Ų13663%0.62673%0.726SS**  trans-52.7108.516512.60000106.2P287 A291P287-T289 VanDerWaalsContact C-N 3.31Å; P287-T289 PolarHBondContact O-N 3.28Å; T289-A291 PolarHBondContact O-N 3Å
290T33.1Very low36Very low136 Ų136135.5 Ų135.583%0.83472%0.722SS**  trans-51133.8163.532.30000107.6Q288 E292Q288-T290 PolarHBondContact O-N 3.01Å; T290-E292 PolarHBondContact O-N 2.86Å
291A33.3Very low36.2Very low85 Ų85133.7 Ų133.770%0.70272%0.717SS**SBendtrans-44.9133.4-173.400000112.7T289 D293T289-A291 PolarHBondContact O-N 3Å; A291-D293 PolarHBondContact O-N 2.88Å
292E32Very low36.5Very low185 Ų185126.3 Ų126.386%0.86469%0.691SS**  trans3486141.8-61.9176.2177.400116T290T290-E292 PolarHBondContact O-N 2.86Å
293D31.9Very low37.1Very low139 Ų139131.8 Ų131.874%0.74370%0.698SS**  trans-101.6117140.4-81-34.2000107A291 I295A291-D293 PolarHBondContact O-N 2.88Å; D293-I295 HydrophobicContact CB-CD1 4.14Å; D293-I295 HydrophobicContact CB-CG1 3.86Å; D293-I295 PolarHBondContact O-N 2.88Å
294D37.9Very low37.8Very low177 Ų177128.8 Ų128.895%0.94769%0.687SS**  trans-59.482.9164.1-87.8-30.6000108.5
295I39.1Very low38.8Very low105 Ų105126.9 Ų126.954%0.53868%0.681SS.*  trans-93.8110.8174-57.9170.6000106.9D293 I297D293-I295 HydrophobicContact CB-CD1 4.14Å; D293-I295 HydrophobicContact CB-CG1 3.86Å; D293-I295 PolarHBondContact O-N 2.88Å; I295-I297 PolarHBondContact O-N 2.81Å
296E38Very low40.2Very low184 Ų184119.5 Ų119.586%0.8666%0.66SS**  trans-40.2125.2167.1-92.8-177.7150.200109.9D298E296-D298 VanDerWaalsContact C-N 3.31Å; E296-D298 PolarHBondContact O-N 2.83Å
297I37.5Very low41.8Very low146 Ų146118.7 Ų118.775%0.74966%0.656SS**  trans-69.196.7174.7-58.4172.9000106I295 T299I295-I297 PolarHBondContact O-N 2.81Å; I297-T299 VanDerWaalsContact C-N 3.31Å; I297-T299 HydrophobicContact CG2-CG2 3.81Å; I297-T299 PolarHBondContact O-N 2.87Å
298D34.9Very low43.6Very low117 Ų117118 Ų11863%0.62665%0.65SS**  trans-67.697165.7-1703.5000108.2E296 S300E296-D298 VanDerWaalsContact C-N 3.31Å; E296-D298 PolarHBondContact O-N 2.83Å; D298-S300 PolarHBondContact O-N 2.76Å; D298-S300 WeakPolarHBondContact OD1-CB 3.35Å; D298-S300 PolarHBondContact OD1-N 3.47Å; D298-S300 PolarHBondContact OD1-OG 2.84Å; D298-S300 PolarHBondContact OD2-OG 2.85Å
299T40.6Very low45.7Very low123 Ų123111.7 Ų111.776%0.75563%0.628SS**THydrogen-bonded Turntrans-73.75.8174.948.40000112.8I297I297-T299 VanDerWaalsContact C-N 3.31Å; I297-T299 HydrophobicContact CG2-CG2 3.81Å; I297-T299 PolarHBondContact O-N 2.87Å
300S40.2Very low48.2Very low86 Ų86107.2 Ų107.260%0.60160%0.6SS**THydrogen-bonded Turntrans-79.3-14.1-174.374.90000115.1D298 G302D298-S300 PolarHBondContact O-N 2.76Å; D298-S300 WeakPolarHBondContact OD1-CB 3.35Å; D298-S300 PolarHBondContact OD1-N 3.47Å; D298-S300 PolarHBondContact OD1-OG 2.84Å; D298-S300 PolarHBondContact OD2-OG 2.85Å; S300-G302 PolarHBondContact O-N 3.31Å
301I39Very low50.6Low147 Ų147101 Ų10175%0.75456%0.561SS**SBendtrans-85.999.7166.1-55.1173.6000106.8R303I301-R303 PolarHBondContact O-N 2.83Å
302G41.2Very low52.8Low30 Ų3098.2 Ų98.231%0.30954%0.538SS..  trans-50.5113.7-17600000111.5S300 A304 D305S300-G302 PolarHBondContact O-N 3.31Å; G302-A304 PolarHBondContact O-N 2.79Å; G302-D305 PolarHBondContact O-N 3.4Å
303R49.6Very low54.7Low200 Ų20096.1 Ų96.176%0.75552%0.523SS*.Hα-helixtrans-51.7-20.1174.9-146177.8-174.1142.56.1113.3I301I301-R303 PolarHBondContact O-N 2.83Å
304A48.9Very low56.1Low66 Ų6692.6 Ų92.655%0.54552%0.519SS..Hα-helixtrans-75.9-29.7176.100000113.8G302 T308G302-A304 PolarHBondContact O-N 2.79Å; A304-T308 PolarHBondContact O-N 3.26Å; A304-T308 PolarHBondContact O-OG1 3.43Å
305D56.6Low57Low119 Ų11990.7 Ų90.764%0.63650%0.504SS*.Hα-helixtrans-73.1-40.4-177.5-73.4-16.5000111.3G302 L307 T308 A309G302-D305 PolarHBondContact O-N 3.4Å; D305-L307 VanDerWaalsContact C-N 3.32Å; D305-L307 PolarHBondContact O-N 3.39Å; D305-T308 PolarHBondContact O-N 3.22Å; D305-A309 PolarHBondContact O-N 3.3Å
306A64.7Low57.8Low37 Ų3791.3 Ų91.331%0.30651%0.505SS..Hα-helixtrans-58.6-43.1175.600000111.7Y310A306-Y310 WeakPolarHBondContact O-CD2 3.38Å; A306-Y310 WeakPolarHBondContact O-CE2 3.17Å
307L73.4Confident58.5Low50 Ų5084.3 Ų84.326%0.26247%0.474SS..Hα-helixtrans-65.6-40.9179-172.772.7000112.3F20 F115 D305 A309 Y310 F311F20-L307 HydrophobicContact CD2-CD1 3.77Å; F20-L307 HydrophobicContact CE2-CD1 3.27Å; F20-L307 HydrophobicContact CZ-CD1 3.81Å; F115-L307 HydrophobicContact CD1-CD1 4.49Å; F115-L307 HydrophobicContact CE1-CD1 3.46Å; F115-L307 VanDerWaalsContact CE1-CD1 3.46Å; F115-L307 HydrophobicContact CE1-CG 3.84Å; F115-L307 HydrophobicContact CZ-CD1 3.65Å; F115-L307 HydrophobicContact CZ-CG 4.23Å; D305-L307 VanDerWaalsContact C-N 3.32Å; D305-L307 PolarHBondContact O-N 3.39Å; L307-A309 VanDerWaalsContact C-N 3.28Å; L307-A309 PolarHBondContact O-N 3.13Å; L307-Y310 PolarHBondContact O-N 3.19Å; L307-Y310 VanDerWaalsContact O-N 3.15Å; L307-F311 HydrophobicContact CD2-CZ 4.37Å; L307-F311 HydrophobicContact CG-CE1 4.4Å; L307-F311 HydrophobicContact CG-CZ 4.34Å
308T74.5Confident59.4Low68 Ų6883.6 Ų83.642%0.41747%0.467SS..Hα-helixtrans-65.5-32.8-172.7-58.40000112.3A304 D305 Y310 F311A304-T308 PolarHBondContact O-N 3.26Å; A304-T308 PolarHBondContact O-OG1 3.43Å; D305-T308 PolarHBondContact O-N 3.22Å; T308-Y310 PolarHBondContact O-N 2.96Å; T308-Y310 VanDerWaalsContact O-N 3.13Å; T308-F311 HydrophobicContact CG2-CD2 3.93Å; T308-F311 HydrophobicContact CG2-CE2 3.85Å; T308-F311 WeakPolarHBondContact O-CD2 3.39Å; T308-F311 PolarHBondContact O-N 2.9Å
309A80Confident60.7Low43 Ų4386.2 Ų86.236%0.35547%0.473SS..THydrogen-bonded Turntrans-57.9-26.9176.200000113.2K46 D305 L307K46-A309 WeakPolarHBondContact CD-O 3.38Å; K46-A309 WeakPolarHBondContact CE-O 3.41Å; K46-A309 WeakPolarHBondContact CG-O 3.4Å; D305-A309 PolarHBondContact O-N 3.3Å; L307-A309 VanDerWaalsContact C-N 3.28Å; L307-A309 PolarHBondContact O-N 3.13Å
310Y84.9Confident62.2Low8 Ų884 Ų843%0.03146%0.457CS..THydrogen-bonded Turntrans-93.9-0.8-174.7-61.5-84.9000114.8F20 D44 K46 G47 L74 F115 E116 F117 A306 L307 T308 A312F20-Y310 HydrophobicContact CD1-CD2 4.14Å; F20-Y310 AromaticContact CD1-CE2 3.89Å; F20-Y310 HydrophobicContact CD1-CE2 3.89Å; F20-Y310 AromaticContact CE1-CD2 3.3Å; F20-Y310 HydrophobicContact CE1-CD2 3.3Å; F20-Y310 AromaticContact CE1-CE2 3.43Å; F20-Y310 HydrophobicContact CE1-CE2 3.43Å; F20-Y310 VanDerWaalsContact CE1-CE2 3.43Å; F20-Y310 AromaticContact CE1-CG 3.92Å; F20-Y310 HydrophobicContact CE1-CG 3.92Å; F20-Y310 HydrophobicContact CZ-CD2 4.01Å; F20-Y310 HydrophobicContact CZ-CG 4.35Å; D44-Y310 PolarHBondContact OD2-OH 2.82Å; K46-Y310 HydrophobicContact CB-CD1 4.35Å; K46-Y310 HydrophobicContact CB-CE1 4.41Å; G47-Y310 WeakPolarHBondContact CA-OH 3.44Å; L74-Y310 HydrophobicContact CD1-CE1 4.09Å; L74-Y310 WeakPolarHBondContact CD1-OH 3.14Å; L74-Y310 HydrophobicContact CD2-CE2 4.18Å; F115-Y310 CarbonylContact C-O 3.59Å; F115-Y310 VanDerWaalsContact CA-O 3.26Å; F115-Y310 WeakPolarHBondContact CA-O 3.4Å; E116-Y310 PolarHBondContact N-O 3.06Å; F117-Y310 AromaticContact CD1-CD1 3.23Å; F117-Y310 HydrophobicContact CD1-CD1 3.23Å; F117-Y310 AromaticContact CD1-CE1 3.52Å; F117-Y310 HydrophobicContact CD1-CE1 3.52Å; F117-Y310 HydrophobicContact CD1-CG 4.04Å; F117-Y310 AromaticContact CE1-CD1 3.4Å; F117-Y310 HydrophobicContact CE1-CD1 3.4Å; F117-Y310 VanDerWaalsContact CE1-CD1 3.4Å; F117-Y310 HydrophobicContact CE1-CD2 4.44Å; F117-Y310 AromaticContact CE1-CE1 3.86Å; F117-Y310 HydrophobicContact CE1-CE1 3.86Å; F117-Y310 AromaticContact CE1-CG 3.72Å; F117-Y310 HydrophobicContact CE1-CG 3.72Å; F117-Y310 HydrophobicContact CG-CD1 4.18Å; F117-Y310 HydrophobicContact CZ-CD1 4.44Å; A306-Y310 WeakPolarHBondContact O-CD2 3.38Å; A306-Y310 WeakPolarHBondContact O-CE2 3.17Å; L307-Y310 PolarHBondContact O-N 3.19Å; L307-Y310 VanDerWaalsContact O-N 3.15Å; T308-Y310 PolarHBondContact O-N 2.96Å; T308-Y310 VanDerWaalsContact O-N 3.13Å; Y310-A312 PolarHBondContact O-N 3.4Å
311F84.4Confident64.3Low7 Ų783.5 Ų83.53%0.03144%0.441CS..BIsolated β-bridgetrans-60.5135.2179.7-66.5-39.7000112.1K46 T113 F115 L307 T308 Y313 Q315 H316K46-F311 PolarHBondContact NZ-O 2.83Å; T113-F311 HydrophobicContact CG2-CD1 3.83Å; T113-F311 HydrophobicContact CG2-CE1 3.57Å; F115-F311 AromaticContact CD1-CD1 3.88Å; F115-F311 HydrophobicContact CD1-CD1 3.88Å; F115-F311 HydrophobicContact CD1-CE1 4.13Å; F115-F311 AromaticContact CE1-CD1 3.62Å; F115-F311 HydrophobicContact CE1-CD1 3.62Å; F115-F311 AromaticContact CE1-CE1 3.39Å; F115-F311 HydrophobicContact CE1-CE1 3.39Å; F115-F311 HydrophobicContact CE1-CZ 4.49Å; F115-F311 HydrophobicContact CZ-CD1 4.44Å; F115-F311 AromaticContact CZ-CE1 3.97Å; F115-F311 HydrophobicContact CZ-CE1 3.97Å; L307-F311 HydrophobicContact CD2-CZ 4.37Å; L307-F311 HydrophobicContact CG-CE1 4.4Å; L307-F311 HydrophobicContact CG-CZ 4.34Å; T308-F311 HydrophobicContact CG2-CD2 3.93Å; T308-F311 HydrophobicContact CG2-CE2 3.85Å; T308-F311 WeakPolarHBondContact O-CD2 3.39Å; T308-F311 PolarHBondContact O-N 2.9Å; F311-Y313 VanDerWaalsContact C-N 3.28Å; F311-Y313 PolarHBondContact O-N 3.49Å; F311-Q315 VanDerWaalsContact CD2-C 3.41Å; F311-H316 HydrophobicContact CD2-CB 4.2Å; F311-H316 HydrophobicContact CE2-CB 3.42Å; F311-H316 VanDerWaalsContact CE2-CB 3.42Å; F311-H316 HydrophobicContact CZ-CB 3.71Å; F311-H316 AromaticContact CZ-CD2 3.4Å; F311-H316 WeakPolarHBondContact CZ-CD2 3.09Å; F311-H316 AromaticContact CZ-CG 3.74Å
312A79.4Confident66.7Low25 Ų2579.5 Ų79.521%0.20743%0.43CS..THydrogen-bonded Turntrans-68.6-28.3-179.400000112.5R114 E116 Y310R114-A312 HydrophobicContact CB-CB 3.99Å; R114-A312 PolarHBondContact O-N 3.49Å; E116-A312 HydrophobicContact CB-CB 4.18Å; Y310-A312 PolarHBondContact O-N 3.4Å
313Y71.8Confident69.1Low142 Ų14283.2 Ų83.256%0.55745%0.449SS*.THydrogen-bonded Turntrans-114.821.1-176.1-58.5-60.6000114.1R114 F311 Q315R114-Y313 PolarHBondContact NH1-OH 3.39Å; F311-Y313 VanDerWaalsContact C-N 3.28Å; F311-Y313 PolarHBondContact O-N 3.49Å; Y313-Q315 PolarHBondContact O-N 2.8Å
314G61.1Low71.3Confident64 Ų6476.8 Ų76.866%0.6643%0.431SS*.SBendtrans73.6-7.2171.200000116.7
315Q58.1Low73.5Confident137 Ų13781.1 Ų81.164%0.6444%0.435SS*.SBendtrans-138.3154.8170.9-71.9-177.8-11.200110.3F311 Y313 N317F311-Q315 VanDerWaalsContact CD2-C 3.41Å; Y313-Q315 PolarHBondContact O-N 2.8Å; Q315-N317 PolarHBondContact O-N 3.19Å
316H54.2Low75.4Confident118 Ų11876 Ų7655%0.54641%0.408SS..  trans-60108.4166.5-169.6-62.5000105.8F311 E318F311-H316 HydrophobicContact CD2-CB 4.2Å; F311-H316 HydrophobicContact CE2-CB 3.42Å; F311-H316 VanDerWaalsContact CE2-CB 3.42Å; F311-H316 HydrophobicContact CZ-CB 3.71Å; F311-H316 AromaticContact CZ-CD2 3.4Å; F311-H316 WeakPolarHBondContact CZ-CD2 3.09Å; F311-H316 AromaticContact CZ-CG 3.74Å; H316-E318 PolarHBondContact O-N 3.08Å
317N54.4Low76.8Confident38 Ų3882.6 Ų82.620%0.20343%0.433CS..  trans-45.1115.8177.4-84.412000108Q315 K319 D320Q315-N317 PolarHBondContact O-N 3.19Å; N317-K319 PolarHBondContact O-N 2.92Å; N317-D320 PolarHBondContact ND2-OD1 3.02Å
318E55.1Low77.7Confident131 Ų13186.8 Ų86.861%0.61245%0.451SS*.  trans-45.8124.5146.7-71.9179.5139.100104.3H316 D320 R337H316-E318 PolarHBondContact O-N 3.08Å; E318-D320 PolarHBondContact O-N 3.06Å; E318-D320 VanDerWaalsContact O-N 3.08Å; E318-R337 IonicContact OE2-CZ 3.96Å; E318-R337 IonicContact OE2-NE 3.02Å; E318-R337 IonicContact OE2-NH2 3.71Å; E318-R337 PolarHBondContact OE2-NH2 3.27Å
319K62.7Low78.7Confident172 Ų17288.1 Ų88.175%0.74846%0.455SS*.  trans-39.6125.4-177.2-77.6-180174.9178.30108.7N317 R321N317-K319 PolarHBondContact O-N 2.92Å; K319-R321 PolarHBondContact O-N 2.79Å
320D72.3Confident79.4Confident77 Ų7788.1 Ų88.141%0.41246%0.459SS..  trans-37.1118.4177.8-63.6-18000107.9R109 N317 E318R109-D320 IonicContact NH1-OD2 2.79Å; N317-D320 PolarHBondContact ND2-OD1 3.02Å; E318-D320 PolarHBondContact O-N 3.06Å; E318-D320 VanDerWaalsContact O-N 3.08Å
321R83.9Confident79.9Confident75 Ų7591.3 Ų91.328%0.28348%0.479SS..PPolyproline II helixtrans-67.7158.6-173-61.6159-75.1172.9-1.4109K319 E334 S335K319-R321 PolarHBondContact O-N 2.79Å; R321-E334 HydrophobicContact CB-CG 3.8Å; R321-E334 IonicContact CZ-OE1 3.72Å; R321-E334 IonicContact CZ-OE2 3.58Å; R321-E334 PolarHBondContact N-OE1 2.87Å; R321-E334 IonicContact NE-OE1 3.88Å; R321-E334 PolarHBondContact NE-OE1 3.4Å; R321-E334 IonicContact NE-OE2 3.76Å; R321-E334 IonicContact NH2-OE1 2.93Å; R321-E334 PolarHBondContact NH2-OE1 3.09Å; R321-E334 IonicContact NH2-OE2 2.88Å; R321-E334 PolarHBondContact NH2-OE2 3.06Å; R321-S335 VanDerWaalsContact CB-OG 3.22Å; R321-S335 WeakPolarHBondContact CB-OG 3.22Å; R321-S335 WeakPolarHBondContact CD-O 3.4Å; R321-S335 PolarHBondContact NE-O 2.89Å; R321-S335 PolarHBondContact NH1-O 3.44Å
322A88.6Confident80.5Confident63 Ų6394.7 Ų94.752%0.52151%0.509SS..PPolyproline II helixtrans-58.2136-173.600000110.8V324 S335A322-V324 PolarHBondContact O-N 2.79Å; A322-S335 WeakPolarHBondContact O-CB 3.45Å; A322-S335 PolarHBondContact O-N 3.5Å
323P92.6Very high81.2Confident107 Ų10795.1 Ų95.170%0.69551%0.507SS*.EExtended strand (participates in β ladder)trans-67131.7173.527-32.5000109.9I333P323-I333 CarbonylContact C-O 3.58Å; P323-I333 VanDerWaalsContact CA-O 3.3Å; P323-I333 WeakPolarHBondContact CA-O 3.41Å
324V95Very high82.1Confident65 Ų6592.4 Ų92.439%0.39450%0.5SS..EExtended strand (participates in β ladder)trans-126.8151178.6-63.60000110.2A322 S326 A332 I333A322-V324 PolarHBondContact O-N 2.79Å; V324-S326 PolarHBondContact O-N 2.84Å; V324-A332 CarbonylContact O-C 3.48Å; V324-A332 WeakPolarHBondContact O-CA 3.3Å; V324-I333 HydrophobicContact CG2-CG1 4.15Å; V324-I333 PolarHBondContact N-O 3.48Å; V324-I333 PolarHBondContact O-N 2.71Å
325Y96.5Very high83.5Confident158 Ų15891 Ų9162%0.6248%0.479SS*.EExtended strand (participates in β ladder)trans-75.3125.8174.9-177.3-105.2000110.1E327Y325-E327 HydrophobicContact CD1-CG 4.15Å; Y325-E327 HydrophobicContact CE1-CG 3.99Å
326S94.8Very high85Confident11 Ų1187.4 Ų87.48%0.07746%0.464CS..EExtended strand (participates in β ladder)trans-93.4115.7170.1172.60000109.4V324 E328 L329 G330 V331 L342V324-S326 PolarHBondContact O-N 2.84Å; S326-E328 VanDerWaalsContact C-N 3.31Å; S326-L329 PolarHBondContact OG-N 2.83Å; S326-G330 WeakPolarHBondContact O-CA 3.38Å; S326-G330 PolarHBondContact O-N 2.93Å; S326-V331 PolarHBondContact N-O 2.87Å; S326-V331 PolarHBondContact O-N 3.02Å; S326-L342 WeakPolarHBondContact OG-CD1 3.41Å
327E94.2Very high86.5Confident175 Ų17588.1 Ų88.182%0.81846%0.462SS*.THydrogen-bonded Turntrans-65.7-35.7173-66.4-172.1172.600112Y325 L329Y325-E327 HydrophobicContact CD1-CG 4.15Å; Y325-E327 HydrophobicContact CE1-CG 3.99Å; E327-L329 PolarHBondContact O-N 3.2Å
328E93.3Very high87.8Confident139 Ų13995.6 Ų95.665%0.6550%0.496SS*.THydrogen-bonded Turntrans-63.3-39.9180-174.9178.6172.600112.2S326 L342S326-E328 VanDerWaalsContact C-N 3.31Å; E328-L342 HydrophobicContact CB-CD1 4.13Å; E328-L342 HydrophobicContact CG-CD1 4.45Å; E328-L342 WeakPolarHBondContact OE2-CD1 3.4Å
329L94.5Very high89.2Confident96 Ų9693.2 Ų93.250%0.50351%0.506SS..THydrogen-bonded Turntrans-99.8-15-177.4-61.2175.9000113.9S326 E327 V331 I333 L342S326-L329 PolarHBondContact OG-N 2.83Å; E327-L329 PolarHBondContact O-N 3.2Å; L329-V331 VanDerWaalsContact C-N 3.26Å; L329-V331 HydrophobicContact CB-CG2 3.73Å; L329-V331 HydrophobicContact CD1-CG2 4.48Å; L329-V331 PolarHBondContact O-N 3.37Å; L329-I333 HydrophobicContact CD1-CG2 4.07Å; L329-L342 HydrophobicContact CD1-CD1 3.82Å; L329-L342 HydrophobicContact CD1-CD2 4.05Å; L329-L342 HydrophobicContact CG-CD1 3.91Å
330G95.3Very high90.3Very high42 Ų4290 Ų9043%0.43349%0.492SS..THydrogen-bonded Turntrans67.822.5-175.400000114.2S326S326-G330 WeakPolarHBondContact O-CA 3.38Å; S326-G330 PolarHBondContact O-N 2.93Å
331V96.7Very high91.1Very high76 Ų7689.7 Ų89.746%0.46149%0.494SS..EExtended strand (participates in β ladder)trans-136.8162.9-176.4-60.30000111.7S326 L329 I333S326-V331 PolarHBondContact N-O 2.87Å; S326-V331 PolarHBondContact O-N 3.02Å; L329-V331 VanDerWaalsContact C-N 3.26Å; L329-V331 HydrophobicContact CB-CG2 3.73Å; L329-V331 HydrophobicContact CD1-CG2 4.48Å; L329-V331 PolarHBondContact O-N 3.37Å; V331-I333 HydrophobicContact CG2-CG2 3.91Å
332A96.3Very high91.4Very high78 Ų7887.8 Ų87.865%0.64549%0.489SS*.EExtended strand (participates in β ladder)trans-76.5128168.200000110.2V324V324-A332 CarbonylContact O-C 3.48Å; V324-A332 WeakPolarHBondContact O-CA 3.3Å
333I94.3Very high91.3Very high34 Ų3490.3 Ų90.317%0.17449%0.488CS..EExtended strand (participates in β ladder)trans-123.6161.117664.1169.3000110.2P323 V324 L329 V331 L336 L342P323-I333 CarbonylContact C-O 3.58Å; P323-I333 VanDerWaalsContact CA-O 3.3Å; P323-I333 WeakPolarHBondContact CA-O 3.41Å; V324-I333 HydrophobicContact CG2-CG1 4.15Å; V324-I333 PolarHBondContact N-O 3.48Å; V324-I333 PolarHBondContact O-N 2.71Å; L329-I333 HydrophobicContact CD1-CG2 4.07Å; V331-I333 HydrophobicContact CG2-CG2 3.91Å; I333-L336 HydrophobicContact CD1-CD2 4.25Å; I333-L342 HydrophobicContact CD1-CD1 4.28Å; I333-L342 HydrophobicContact CD1-CD2 3.94Å; I333-L342 HydrophobicContact CD1-CG 4.4Å
334E91Very high91Very high85 Ų8589.4 Ų89.440%0.39748%0.477SS..EExtended strand (participates in β ladder)trans-63.1138.3165.5-172.3-171.6-17600109.6R321 L336R321-E334 HydrophobicContact CB-CG 3.8Å; R321-E334 IonicContact CZ-OE1 3.72Å; R321-E334 IonicContact CZ-OE2 3.58Å; R321-E334 PolarHBondContact N-OE1 2.87Å; R321-E334 IonicContact NE-OE1 3.88Å; R321-E334 PolarHBondContact NE-OE1 3.4Å; R321-E334 IonicContact NE-OE2 3.76Å; R321-E334 IonicContact NH2-OE1 2.93Å; R321-E334 PolarHBondContact NH2-OE1 3.09Å; R321-E334 IonicContact NH2-OE2 2.88Å; R321-E334 PolarHBondContact NH2-OE2 3.06Å; E334-L336 PolarHBondContact O-N 3.25Å
335S89.9Confident90.6Very high34 Ų3491.2 Ų91.224%0.23848%0.484CS..PPolyproline II helixtrans-58.8134.4178.770.60000111.6R321 A322R321-S335 VanDerWaalsContact CB-OG 3.22Å; R321-S335 WeakPolarHBondContact CB-OG 3.22Å; R321-S335 WeakPolarHBondContact CD-O 3.4Å; R321-S335 PolarHBondContact NE-O 2.89Å; R321-S335 PolarHBondContact NH1-O 3.44Å; A322-S335 WeakPolarHBondContact O-CB 3.45Å; A322-S335 PolarHBondContact O-N 3.5Å
336L89.1Confident90.2Very high61 Ų6194.5 Ų94.532%0.31950%0.496SS..PPolyproline II helixtrans-64.6158.8-176.4-58-178.5000111.7I333 E334 F340 L342 L345I333-L336 HydrophobicContact CD1-CD2 4.25Å; E334-L336 PolarHBondContact O-N 3.25Å; L336-F340 WeakPolarHBondContact CD1-O 3.41Å; L336-L342 HydrophobicContact CD1-CG 4.21Å; L336-L342 HydrophobicContact CD2-CD2 4.11Å; L336-L345 HydrophobicContact CD2-CD1 3.74Å
337R85.6Confident89.8Confident133 Ų13398.7 Ų98.750%0.50251%0.514SS..PPolyproline II helixtrans-72.4146.8172-74.2-165.4168.1159.4-8.3107.3E318 G339 F340E318-R337 IonicContact OE2-CZ 3.96Å; E318-R337 IonicContact OE2-NE 3.02Å; E318-R337 IonicContact OE2-NH2 3.71Å; E318-R337 PolarHBondContact OE2-NH2 3.27Å; R337-G339 PolarHBondContact O-N 3.05Å; R337-F340 HydrophobicContact CB-CD2 3.66Å; R337-F340 HydrophobicContact CB-CE2 4.21Å; R337-F340 PolarHBondContact O-N 3.21Å; R337-F340 VanDerWaalsContact O-N 3.09Å
338E82.3Confident88.7Confident196 Ų19697.7 Ų97.792%0.91651%0.513SS*.THydrogen-bonded Turntrans-53.2130.7173.9-71.3-172.8169.200109.9
339G85.1Confident87.2Confident80 Ų8098.3 Ų98.383%0.82552%0.521SS*.THydrogen-bonded Turntrans88-4.2-179.400000116.3R337R337-G339 PolarHBondContact O-N 3.05Å
340F85.2Confident85.3Confident104 Ų10499.4 Ų99.446%0.45653%0.532SS..  trans-104.8137.9176-72.2-93.4000112.1L336 R337 D344 L345L336-F340 WeakPolarHBondContact CD1-O 3.41Å; R337-F340 HydrophobicContact CB-CD2 3.66Å; R337-F340 HydrophobicContact CB-CE2 4.21Å; R337-F340 PolarHBondContact O-N 3.21Å; R337-F340 VanDerWaalsContact O-N 3.09Å; F340-D344 HydrophobicContact CD1-CB 4.48Å; F340-L345 HydrophobicContact CB-CD2 4.43Å; F340-L345 HydrophobicContact CB-CG 4.37Å; F340-L345 HydrophobicContact CD1-CD2 3.59Å; F340-L345 HydrophobicContact CD1-CG 4.23Å; F340-L345 HydrophobicContact CE1-CD2 4.15Å; F340-L345 HydrophobicContact CG-CD2 4.21Å
341T89.3Confident83.1Confident72 Ų72108.2 Ų108.244%0.44257%0.569SS.*  trans-100.1164.7164.771.90000111.2K343 D344 L345T341-K343 PolarHBondContact O-N 3.47Å; T341-D344 VanDerWaalsContact CB-OD2 3.3Å; T341-D344 WeakPolarHBondContact CB-OD2 3.3Å; T341-D344 WeakPolarHBondContact CG2-OD2 3.2Å; T341-D344 PolarHBondContact N-OD2 2.83Å; T341-D344 PolarHBondContact O-N 3.27Å; T341-D344 PolarHBondContact OG1-N 3.25Å; T341-D344 PolarHBondContact OG1-OD1 3.28Å; T341-D344 PolarHBondContact OG1-OD2 3.28Å; T341-L345 PolarHBondContact O-N 3.37Å
342L89.7Confident82.5Confident34 Ų34109.9 Ų109.918%0.17857%0.574CS.*Hα-helixtrans-59.4-38174.5-81.8171.2000111.9S326 E328 L329 I333 L336 L345 W346S326-L342 WeakPolarHBondContact OG-CD1 3.41Å; E328-L342 HydrophobicContact CB-CD1 4.13Å; E328-L342 HydrophobicContact CG-CD1 4.45Å; E328-L342 WeakPolarHBondContact OE2-CD1 3.4Å; L329-L342 HydrophobicContact CD1-CD1 3.82Å; L329-L342 HydrophobicContact CD1-CD2 4.05Å; L329-L342 HydrophobicContact CG-CD1 3.91Å; I333-L342 HydrophobicContact CD1-CD1 4.28Å; I333-L342 HydrophobicContact CD1-CD2 3.94Å; I333-L342 HydrophobicContact CD1-CG 4.4Å; L336-L342 HydrophobicContact CD1-CG 4.21Å; L336-L342 HydrophobicContact CD2-CD2 4.11Å; L342-L345 PolarHBondContact O-N 3.41Å; L342-W346 WeakPolarHBondContact O-CB 3.42Å; L342-W346 PolarHBondContact O-N 2.64Å
343K86.8Confident81.7Confident117 Ų117111.5 Ų111.551%0.50957%0.571SS.*Hα-helixtrans-62.6-44.9177.3-168.8177.9178.1-173.20111.6T341 L345 W346 E347T341-K343 PolarHBondContact O-N 3.47Å; K343-L345 PolarHBondContact O-N 3.23Å; K343-W346 PolarHBondContact O-N 3.39Å; K343-W346 VanDerWaalsContact O-N 3.08Å; K343-E347 WeakPolarHBondContact CE-OE1 3.45Å; K343-E347 WeakPolarHBondContact CE-OE2 2.81Å; K343-E347 HydrophobicContact CG-CG 4.14Å; K343-E347 IonicContact NZ-OE1 2.61Å; K343-E347 PolarHBondContact O-N 3.18Å
344D85.4Confident81Confident88 Ų88115.8 Ų115.847%0.47159%0.593SS.*Hα-helixtrans-61.4-31178.3-55.1-39.7000112.7F340 T341F340-D344 HydrophobicContact CD1-CB 4.48Å; T341-D344 VanDerWaalsContact CB-OD2 3.3Å; T341-D344 WeakPolarHBondContact CB-OD2 3.3Å; T341-D344 WeakPolarHBondContact CG2-OD2 3.2Å; T341-D344 PolarHBondContact N-OD2 2.83Å; T341-D344 PolarHBondContact O-N 3.27Å; T341-D344 PolarHBondContact OG1-N 3.25Å; T341-D344 PolarHBondContact OG1-OD1 3.28Å; T341-D344 PolarHBondContact OG1-OD2 3.28Å
345L87.3Confident80.5Confident103 Ų103117.6 Ų117.654%0.53960%0.604SS.*Hα-helixtrans-83.4-22.4177.9-65.9176.9000113.2L336 F340 T341 L342 K343L336-L345 HydrophobicContact CD2-CD1 3.74Å; F340-L345 HydrophobicContact CB-CD2 4.43Å; F340-L345 HydrophobicContact CB-CG 4.37Å; F340-L345 HydrophobicContact CD1-CD2 3.59Å; F340-L345 HydrophobicContact CD1-CG 4.23Å; F340-L345 HydrophobicContact CE1-CD2 4.15Å; F340-L345 HydrophobicContact CG-CD2 4.21Å; T341-L345 PolarHBondContact O-N 3.37Å; L342-L345 PolarHBondContact O-N 3.41Å; K343-L345 PolarHBondContact O-N 3.23Å
346W88.3Confident79.9Confident226 Ų226122.9 Ų122.986%0.85663%0.627SS**Hα-helixtrans-91.4-40.1-177.6-173.4-103.7000112.5L342 K343 L348L342-W346 WeakPolarHBondContact O-CB 3.42Å; L342-W346 PolarHBondContact O-N 2.64Å; K343-W346 PolarHBondContact O-N 3.39Å; K343-W346 VanDerWaalsContact O-N 3.08Å; W346-L348 PolarHBondContact O-N 3.08Å
347E85.7Confident79.2Confident99 Ų99127 Ų12746%0.46365%0.648SS.*SBendtrans-76.6118.4180-67.8-175.3164.800110K343 N349K343-E347 WeakPolarHBondContact CE-OE1 3.45Å; K343-E347 WeakPolarHBondContact CE-OE2 2.81Å; K343-E347 HydrophobicContact CG-CG 4.14Å; K343-E347 IonicContact NZ-OE1 2.61Å; K343-E347 PolarHBondContact O-N 3.18Å; E347-N349 PolarHBondContact O-N 2.9Å
348L72Confident78.8Confident154 Ų154126.6 Ų126.681%0.80666%0.658SS**  trans-74.4104.4167.3-71.3166.9000107.5W346 V350W346-L348 PolarHBondContact O-N 3.08Å; L348-V350 HydrophobicContact CB-CG2 3.78Å; L348-V350 PolarHBondContact O-N 2.86Å
349N60.4Low78.5Confident152 Ų152121.2 Ų121.281%0.81364%0.638SS**  trans-69.384.4162.5-75.4-20.3000107.9E347E347-N349 PolarHBondContact O-N 2.9Å
350V54.7Low78Confident119 Ų119124.7 Ų124.772%0.72162%0.623SS**  trans-93.393.9167.3-166.80000106.4L348L348-V350 HydrophobicContact CB-CG2 3.78Å; L348-V350 PolarHBondContact O-N 2.86Å
351D50.9Low77.3Confident228 Ų228126.5 Ų126.5100%1.21964%0.638SS**  trans-83.30158.7-75.8-26.9000110.3

Retrieved 351 of 351 residues in 487.7 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).