A0A096LVQ0_POEFO Loading...

E3 ubiquitin-protein ligase XIAP

AlphaFold DB , UniProt , Accession A0A096LVQ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 401 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.7Very low32.9Very low233 Ų233160.9 Ų160.9100%1.14884%0.84SS**  0108.20-73.8167.469.600106.7
2S36.3Very low33.4Very low114 Ų114157.4 Ų157.480%0.79784%0.839SS**  trans63.795.8157.3-31.40000116.1
3E29.9Very low34.1Very low187 Ų187154.1 Ų154.187%0.87482%0.822SS**  53.313464.1-85.3-170.4159.700116.7
4Q31.5Very low35.3Very low194 Ų194148.9 Ų148.991%0.90782%0.823SS**  trans93.2110.7172.1-52.8-179.69.100114.9
5G29.1Very low36.6Very low72 Ų72145.5 Ų145.574%0.74281%0.812SS**  cis125.6110.817.400000108.4Y7G5-Y7 PolarHBondContact O-N 3.35Å
6E36.2Very low38.5Very low193 Ų193140.4 Ų140.490%0.90279%0.787SS**  trans-55.3124.7162.4-73.2173.2144.500109
7Y29.7Very low40.7Very low217 Ų217136.6 Ų136.685%0.85177%0.765SS**  trans-138.6103.3150.3-97.6-82.1000108.6G5G5-Y7 PolarHBondContact O-N 3.35Å
8S31.7Very low42.6Very low89 Ų89130.9 Ų130.962%0.62273%0.731SS**  trans-32129.8140.949.10000112.1
9N30.6Very low43.8Very low162 Ų162127.4 Ų127.487%0.86672%0.716SS**  trans-120.976.2144.7-95.8-18.9000107.1
10L38.1Very low45.1Very low152 Ų152127 Ų12780%0.79671%0.706SS**  trans-66.7148.4138.7-85.7155.2000106.9
11E34.3Very low46.5Very low157 Ų157122.9 Ų122.973%0.73468%0.681SS**  trans90.788.9176.9-54.8175.5-177.200115.8
12S38.5Very low48.2Very low119 Ų119116.6 Ų116.683%0.83265%0.652SS**  -115100.1106176.20000106.8
13D42.1Very low50.1Low114 Ų114113 Ų11361%0.6162%0.623SS**  trans-36.3136.4161.9-68-48000112.3C15D13-C15 PolarHBondContact O-N 2.64Å
14G51.7Low52.9Low81 Ų81104.1 Ų104.184%0.83558%0.582SS**  48.88.6119.600000120.7P16G14-P16 WeakPolarHBondContact O-CD 3.32Å
15C54.9Low55.4Low99 Ų9997.9 Ų97.967%0.66955%0.552SS**  trans-74.5114180-166.20000107.5D13 D17D13-C15 PolarHBondContact O-N 2.64Å; C15-D17 PolarHBondContact O-N 3.14Å
16P66.6Low58.2Low63 Ų6399 Ų9941%0.40954%0.538SS..  trans-59.2131.6-178.8-20.132.5000109.5G14 F18 N23G14-P16 WeakPolarHBondContact O-CD 3.32Å; P16-F18 VanDerWaalsContact C-N 3.34Å; P16-F18 HydrophobicContact CB-CD1 4.36Å; P16-F18 HydrophobicContact CB-CE1 3.85Å; P16-F18 HydrophobicContact CB-CE2 4.38Å; P16-F18 HydrophobicContact CB-CZ 3.86Å; P16-F18 HydrophobicContact CG-CE1 4.22Å; P16-F18 HydrophobicContact CG-CE2 4.5Å; P16-F18 HydrophobicContact CG-CZ 3.86Å; P16-F18 WeakPolarHBondContact O-CD2 3.4Å; P16-F18 WeakPolarHBondContact O-CE2 3.46Å; P16-F18 WeakPolarHBondContact O-CG 3.19Å; P16-F18 PolarHBondContact O-N 3.1Å; P16-N23 HydrophobicContact CB-CB 4.02Å
17D75.3Confident60.8Low76 Ų7691.1 Ų91.141%0.40650%0.504SS..  trans-66.393.7173.6172.414.8000109.4C15 S19 K20 N23C15-D17 PolarHBondContact O-N 3.14Å; D17-S19 PolarHBondContact O-N 3.08Å; D17-S19 VanDerWaalsContact O-N 3.16Å; D17-S19 WeakPolarHBondContact OD1-CB 3.47Å; D17-S19 PolarHBondContact OD1-N 2.82Å; D17-S19 VanDerWaalsContact OD1-N 3.08Å; D17-S19 PolarHBondContact OD1-OG 2.85Å; D17-S19 PolarHBondContact OD2-OG 3.16Å; D17-S19 VanDerWaalsContact OD2-OG 3.1Å; D17-K20 WeakPolarHBondContact O-CB 3.48Å; D17-K20 PolarHBondContact O-N 3.07Å; D17-K20 VanDerWaalsContact O-N 3.11Å; D17-K20 VanDerWaalsContact OD2-CE 3.32Å; D17-K20 WeakPolarHBondContact OD2-CE 3.18Å; D17-N23 PolarHBondContact N-ND2 3.44Å; D17-N23 WeakPolarHBondContact O-CB 3.5Å; D17-N23 PolarHBondContact O-ND2 3.45Å
18F75.1Confident63.6Low35 Ų3580.9 Ų80.915%0.15446%0.464CS..THydrogen-bonded Turntrans-72.50.7-177.3-66.1-61000113.7P16 K20 N23 R24 Y48 F59P16-F18 VanDerWaalsContact C-N 3.34Å; P16-F18 HydrophobicContact CB-CD1 4.36Å; P16-F18 HydrophobicContact CB-CE1 3.85Å; P16-F18 HydrophobicContact CB-CE2 4.38Å; P16-F18 HydrophobicContact CB-CZ 3.86Å; P16-F18 HydrophobicContact CG-CE1 4.22Å; P16-F18 HydrophobicContact CG-CE2 4.5Å; P16-F18 HydrophobicContact CG-CZ 3.86Å; P16-F18 WeakPolarHBondContact O-CD2 3.4Å; P16-F18 WeakPolarHBondContact O-CE2 3.46Å; P16-F18 WeakPolarHBondContact O-CG 3.19Å; P16-F18 PolarHBondContact O-N 3.1Å; F18-K20 PolarHBondContact O-N 3.16Å; F18-N23 HydrophobicContact CD1-CB 4.24Å; F18-R24 HydrophobicContact CB-CG 4Å; F18-R24 HydrophobicContact CD1-CG 4.06Å; F18-R24 WeakPolarHBondContact O-CD 3.4Å; F18-R24 WeakPolarHBondContact O-CG 3.48Å; F18-R24 PolarHBondContact O-NH1 3.27Å; F18-Y48 HydrophobicContact CB-CD1 3.82Å; F18-Y48 HydrophobicContact CB-CE1 4.34Å; F18-Y48 HydrophobicContact CB-CG 4.27Å; F18-Y48 HydrophobicContact CD1-CD1 4.26Å; F18-Y48 HydrophobicContact CD1-CD2 4.4Å; F18-Y48 AromaticContact CD1-CG 3.83Å; F18-Y48 HydrophobicContact CD1-CG 3.83Å; F18-Y48 AromaticContact CD2-CD1 3.94Å; F18-Y48 HydrophobicContact CD2-CD1 3.94Å; F18-Y48 AromaticContact CD2-CD2 3.96Å; F18-Y48 HydrophobicContact CD2-CD2 3.96Å; F18-Y48 HydrophobicContact CD2-CE1 4.11Å; F18-Y48 HydrophobicContact CD2-CE2 4.15Å; F18-Y48 AromaticContact CD2-CG 3.87Å; F18-Y48 HydrophobicContact CD2-CG 3.87Å; F18-Y48 HydrophobicContact CE1-CD2 4.26Å; F18-Y48 HydrophobicContact CE1-CG 4.09Å; F18-Y48 AromaticContact CE2-CD2 3.81Å; F18-Y48 HydrophobicContact CE2-CD2 3.81Å; F18-Y48 HydrophobicContact CE2-CE2 4.04Å; F18-Y48 HydrophobicContact CE2-CG 4.13Å; F18-Y48 AromaticContact CG-CD1 3.74Å; F18-Y48 HydrophobicContact CG-CD1 3.74Å; F18-Y48 HydrophobicContact CG-CD2 4.26Å; F18-Y48 HydrophobicContact CG-CE1 4.31Å; F18-Y48 AromaticContact CG-CG 3.72Å; F18-Y48 HydrophobicContact CG-CG 3.72Å; F18-Y48 AromaticContact CZ-CD2 3.96Å; F18-Y48 HydrophobicContact CZ-CD2 3.96Å; F18-Y48 HydrophobicContact CZ-CG 4.23Å; F18-F59 HydrophobicContact CB-CB 3.76Å; F18-F59 WeakPolarHBondContact O-CB 3.15Å; F18-F59 WeakPolarHBondContact O-CD1 3.39Å; F18-F59 VanDerWaalsContact O-CG 3.26Å; F18-F59 WeakPolarHBondContact O-CG 3.35Å
19S66.6Low66.2Low64 Ų6486.2 Ų86.245%0.44847%0.471SS..THydrogen-bonded Turntrans-64.6-26.8164.175.80000111.9D17 R24D17-S19 PolarHBondContact O-N 3.08Å; D17-S19 VanDerWaalsContact O-N 3.16Å; D17-S19 WeakPolarHBondContact OD1-CB 3.47Å; D17-S19 PolarHBondContact OD1-N 2.82Å; D17-S19 VanDerWaalsContact OD1-N 3.08Å; D17-S19 PolarHBondContact OD1-OG 2.85Å; D17-S19 PolarHBondContact OD2-OG 3.16Å; D17-S19 VanDerWaalsContact OD2-OG 3.1Å; S19-R24 PolarHBondContact O-NH1 3.35Å
20K68.4Low68.5Low118 Ų11882.6 Ų82.651%0.51347%0.472SS..SBendtrans-82.8134.3177-58.3-177.8-175.9176.90111.5D17 F18 D22 N23 R24D17-K20 WeakPolarHBondContact O-CB 3.48Å; D17-K20 PolarHBondContact O-N 3.07Å; D17-K20 VanDerWaalsContact O-N 3.11Å; D17-K20 VanDerWaalsContact OD2-CE 3.32Å; D17-K20 WeakPolarHBondContact OD2-CE 3.18Å; F18-K20 PolarHBondContact O-N 3.16Å; K20-D22 PolarHBondContact O-N 3.29Å; K20-N23 HydrophobicContact CB-CB 4.38Å; K20-N23 PolarHBondContact O-N 3.2Å; K20-R24 PolarHBondContact O-N 2.86Å
21F74.2Confident70.7Confident42 Ų4276 Ų7618%0.18444%0.438CS..Hα-helixtrans-55.1-51.1178.1175.9-94.3000112.2N23 R24 F25 A43 R44 Y115F21-N23 VanDerWaalsContact C-N 3.25Å; F21-N23 PolarHBondContact O-N 3.35Å; F21-R24 WeakPolarHBondContact O-CB 3.15Å; F21-R24 PolarHBondContact O-N 3.21Å; F21-F25 HydrophobicContact CE1-CB 4.07Å; F21-F25 HydrophobicContact CE1-CG 4.38Å; F21-F25 HydrophobicContact CZ-CB 4.28Å; F21-F25 PolarHBondContact O-N 3.11Å; F21-A43 HydrophobicContact CD2-CB 4.16Å; F21-A43 HydrophobicContact CE2-CB 3.67Å; F21-A43 HydrophobicContact CZ-CB 4.22Å; F21-R44 HydrophobicContact CE2-CG 3.79Å; F21-Y115 HydrophobicContact CD2-CE1 4.15Å; F21-Y115 HydrophobicContact CE2-CE1 4.49Å
22D72.4Confident73Confident100 Ų10072.5 Ų72.554%0.53543%0.428SS..Hα-helixtrans-57.5-38-176.6-67.8-42.1000113.1K20 F25 Q26K20-D22 PolarHBondContact O-N 3.29Å; D22-F25 PolarHBondContact O-N 3.04Å; D22-Q26 VanDerWaalsContact O-CB 3.28Å; D22-Q26 WeakPolarHBondContact O-CB 3.28Å; D22-Q26 WeakPolarHBondContact O-CG 3.45Å; D22-Q26 PolarHBondContact O-N 3.31Å
23N75.3Confident75.1Confident38 Ų3866.8 Ų66.820%0.20339%0.388CS..Hα-helixtrans-68.6-40.3179.2-70.3-10.6000111.2P16 D17 F18 K20 F21 S27P16-N23 HydrophobicContact CB-CB 4.02Å; D17-N23 PolarHBondContact N-ND2 3.44Å; D17-N23 WeakPolarHBondContact O-CB 3.5Å; D17-N23 PolarHBondContact O-ND2 3.45Å; F18-N23 HydrophobicContact CD1-CB 4.24Å; K20-N23 HydrophobicContact CB-CB 4.38Å; K20-N23 PolarHBondContact O-N 3.2Å; F21-N23 VanDerWaalsContact C-N 3.25Å; F21-N23 PolarHBondContact O-N 3.35Å; N23-S27 PolarHBondContact O-N 2.87Å
24R87.9Confident76.7Confident1 Ų163.2 Ų63.20%0.00437%0.374CS..Hα-helixtrans-64.6-47.8173.4-64.3-161.9-59.8-78.1-2.1111F18 S19 K20 F21 Q26 S27 F28 A43 Y115F18-R24 HydrophobicContact CB-CG 4Å; F18-R24 HydrophobicContact CD1-CG 4.06Å; F18-R24 WeakPolarHBondContact O-CD 3.4Å; F18-R24 WeakPolarHBondContact O-CG 3.48Å; F18-R24 PolarHBondContact O-NH1 3.27Å; S19-R24 PolarHBondContact O-NH1 3.35Å; K20-R24 PolarHBondContact O-N 2.86Å; F21-R24 WeakPolarHBondContact O-CB 3.15Å; F21-R24 PolarHBondContact O-N 3.21Å; R24-Q26 VanDerWaalsContact C-N 3.35Å; R24-Q26 PolarHBondContact O-N 3.24Å; R24-S27 WeakPolarHBondContact O-CB 3.37Å; R24-S27 PolarHBondContact O-N 3.03Å; R24-S27 VanDerWaalsContact O-N 3.15Å; R24-S27 PolarHBondContact O-OG 3.26Å; R24-F28 WeakPolarHBondContact O-CD2 3.29Å; R24-F28 VanDerWaalsContact O-CE2 3.32Å; R24-F28 WeakPolarHBondContact O-CE2 3.14Å; R24-A43 HydrophobicContact CB-CB 4Å; R24-A43 PolarHBondContact NE-O 3.42Å; R24-A43 PolarHBondContact NH2-O 3.27Å; R24-Y115 PolarHBondContact NH2-OH 2.57Å; R24-Y115 VanDerWaalsContact NH2-OH 3.09Å
25F85.6Confident77.9Confident63 Ų6369.8 Ų69.828%0.27637%0.374SS..Hα-helixtrans-59.1-45.7179.1178.4-114.2000112.1F21 D22 S27 F28 P39 E40 A43F21-F25 HydrophobicContact CE1-CB 4.07Å; F21-F25 HydrophobicContact CE1-CG 4.38Å; F21-F25 HydrophobicContact CZ-CB 4.28Å; F21-F25 PolarHBondContact O-N 3.11Å; D22-F25 PolarHBondContact O-N 3.04Å; F25-S27 PolarHBondContact O-N 2.89Å; F25-F28 PolarHBondContact O-N 3.15Å; F25-P39 HydrophobicContact CD2-CB 4.07Å; F25-P39 HydrophobicContact CE2-CB 3.89Å; F25-E40 HydrophobicContact CD2-CG 4.09Å; F25-E40 HydrophobicContact CE2-CB 4.44Å; F25-E40 HydrophobicContact CE2-CG 3.53Å; F25-E40 WeakPolarHBondContact CE2-OE1 3.2Å; F25-E40 HydrophobicContact CZ-CG 4.25Å; F25-E40 WeakPolarHBondContact CZ-OE1 3.13Å; F25-A43 HydrophobicContact CB-CB 4.13Å
26Q87.3Confident79.1Confident95 Ų9569.2 Ų69.244%0.44436%0.361SS..Hα-helixtrans-64.7-27.3178.9-73.6175.227.100113.1D22 R24 F28 R29D22-Q26 VanDerWaalsContact O-CB 3.28Å; D22-Q26 WeakPolarHBondContact O-CB 3.28Å; D22-Q26 WeakPolarHBondContact O-CG 3.45Å; D22-Q26 PolarHBondContact O-N 3.31Å; R24-Q26 VanDerWaalsContact C-N 3.35Å; R24-Q26 PolarHBondContact O-N 3.24Å; Q26-F28 PolarHBondContact O-N 3.47Å; Q26-F28 VanDerWaalsContact O-N 3.14Å; Q26-R29 WeakPolarHBondContact O-CB 3.35Å; Q26-R29 WeakPolarHBondContact O-CG 3.32Å; Q26-R29 PolarHBondContact O-N 3.13Å; Q26-R29 VanDerWaalsContact O-N 3.08Å
27S90Very high80Confident28 Ų2866.2 Ų66.220%0.19634%0.342CS..Hα-helixtrans-60.6-23.4178.6760000113.8N23 R24 F25 Y48 F49N23-S27 PolarHBondContact O-N 2.87Å; R24-S27 WeakPolarHBondContact O-CB 3.37Å; R24-S27 PolarHBondContact O-N 3.03Å; R24-S27 VanDerWaalsContact O-N 3.15Å; R24-S27 PolarHBondContact O-OG 3.26Å; F25-S27 PolarHBondContact O-N 2.89Å; S27-Y48 WeakPolarHBondContact OG-CA 3.36Å; S27-F49 WeakPolarHBondContact O-CB 3.19Å; S27-F49 PolarHBondContact OG-N 3.21Å
28F90Very high80.6Confident3 Ų364.7 Ų64.71%0.01334%0.336CS..THydrogen-bonded Turntrans-85.6-2.1179-64.2-79.3000114.3R24 F25 Q26 G30 S31 L33 P39 L42 A43 F47 F49 V56R24-F28 WeakPolarHBondContact O-CD2 3.29Å; R24-F28 VanDerWaalsContact O-CE2 3.32Å; R24-F28 WeakPolarHBondContact O-CE2 3.14Å; F25-F28 PolarHBondContact O-N 3.15Å; Q26-F28 PolarHBondContact O-N 3.47Å; Q26-F28 VanDerWaalsContact O-N 3.14Å; F28-G30 PolarHBondContact O-N 3.02Å; F28-G30 VanDerWaalsContact O-N 3.16Å; F28-S31 WeakPolarHBondContact O-CB 3.41Å; F28-S31 PolarHBondContact O-N 3.39Å; F28-L33 HydrophobicContact CE1-CD2 4.25Å; F28-P39 HydrophobicContact CB-CB 3.61Å; F28-P39 HydrophobicContact CB-CG 3.91Å; F28-P39 HydrophobicContact CD2-CB 4.06Å; F28-P39 HydrophobicContact CG-CB 3.88Å; F28-P39 HydrophobicContact CG-CG 4.47Å; F28-L42 HydrophobicContact CD1-CD1 4.15Å; F28-L42 HydrophobicContact CE1-CB 4.03Å; F28-L42 HydrophobicContact CE1-CD1 3.64Å; F28-L42 HydrophobicContact CE1-CG 4.43Å; F28-L42 HydrophobicContact CE2-CB 4Å; F28-L42 HydrophobicContact CZ-CB 3.54Å; F28-L42 HydrophobicContact CZ-CD1 4.08Å; F28-L42 HydrophobicContact CZ-CG 4.4Å; F28-A43 HydrophobicContact CE2-CB 4.42Å; F28-F47 WeakPolarHBondContact CE2-O 3.48Å; F28-F47 HydrophobicContact CZ-CB 4.47Å; F28-F49 HydrophobicContact CD1-CB 3.71Å; F28-F49 HydrophobicContact CD1-CD2 4.49Å; F28-F49 HydrophobicContact CD1-CG 4.32Å; F28-F49 HydrophobicContact CE1-CB 3.75Å; F28-F49 HydrophobicContact CE1-CD2 4.48Å; F28-F49 HydrophobicContact CG-CB 4.25Å; F28-F49 HydrophobicContact CZ-CB 4.35Å; F28-V56 HydrophobicContact CE1-CG1 3.71Å; F28-V56 HydrophobicContact CZ-CG1 4.19Å
29R85.6Confident81.1Confident200 Ų20064 Ų6476%0.75534%0.335SS*.THydrogen-bonded Turntrans-60120178.5-78-173.7174.9-177.11.2110.8Q26 S31Q26-R29 WeakPolarHBondContact O-CB 3.35Å; Q26-R29 WeakPolarHBondContact O-CG 3.32Å; Q26-R29 PolarHBondContact O-N 3.13Å; Q26-R29 VanDerWaalsContact O-N 3.08Å; R29-S31 VanDerWaalsContact C-N 3.32Å
30G79.1Confident81.9Confident87 Ų8765 Ų6590%0.89733%0.332SS*.THydrogen-bonded Turntrans83.40.218000000115.1F28F28-G30 PolarHBondContact O-N 3.02Å; F28-G30 VanDerWaalsContact O-N 3.16Å
31S83.9Confident82.6Confident13 Ų1360.2 Ų60.29%0.09131%0.311CS..  trans-72.1143.9174.9178.30000111.8F28 R29 L33 A34F28-S31 WeakPolarHBondContact O-CB 3.41Å; F28-S31 PolarHBondContact O-N 3.39Å; R29-S31 VanDerWaalsContact C-N 3.32Å; S31-L33 VanDerWaalsContact C-N 3.27Å; S31-L33 WeakPolarHBondContact OG-CB 3.36Å; S31-L33 PolarHBondContact OG-N 3.41Å; S31-L33 VanDerWaalsContact OG-N 3.13Å; S31-A34 WeakPolarHBondContact O-CB 3.4Å
32T83Confident83.2Confident83 Ų8358.2 Ų58.251%0.50930%0.303SS..SBendtrans-73.1-21.3171.752.10000112.4A34 R35T32-A34 PolarHBondContact O-N 2.94Å; T32-R35 WeakPolarHBondContact O-CB 3.37Å; T32-R35 PolarHBondContact O-N 3.08Å
33L82.5Confident83.8Confident0 Ų053.5 Ų53.50%028%0.277CS..G310 helixtrans-63.4-31.7175.2178.256.8000112F28 S31 R35 Q36 V37 L42 D54 V56 W68F28-L33 HydrophobicContact CE1-CD2 4.25Å; S31-L33 VanDerWaalsContact C-N 3.27Å; S31-L33 WeakPolarHBondContact OG-CB 3.36Å; S31-L33 PolarHBondContact OG-N 3.41Å; S31-L33 VanDerWaalsContact OG-N 3.13Å; L33-R35 PolarHBondContact O-N 2.91Å; L33-Q36 HydrophobicContact CD1-CB 4.48Å; L33-Q36 PolarHBondContact O-N 2.6Å; L33-V37 HydrophobicContact CD1-CB 4.4Å; L33-V37 HydrophobicContact CD1-CG2 4.4Å; L33-V37 PolarHBondContact O-N 2.85Å; L33-L42 HydrophobicContact CD2-CD1 3.61Å; L33-L42 HydrophobicContact CG-CD1 3.82Å; L33-D54 HydrophobicContact CD1-CB 4.23Å; L33-V56 HydrophobicContact CD2-CG1 3.33Å; L33-W68 HydrophobicContact CD1-CB 3.51Å; L33-W68 HydrophobicContact CD1-CG 3.75Å
34A75.3Confident84Confident38 Ų3851.9 Ų51.931%0.31427%0.268SS..G310 helixtrans-58.7-19.1176.700000113.5S31 T32 P39S31-A34 WeakPolarHBondContact O-CB 3.4Å; T32-A34 PolarHBondContact O-N 2.94Å; A34-P39 HydrophobicContact CB-CG 3.48Å; A34-P39 VanDerWaalsContact CB-CG 3.48Å
35R76.3Confident83.8Confident219 Ų21951.9 Ų51.983%0.82627%0.268SS*.G310 helixtrans-83.3-19.3175.2-63.1-178.9177.8159.40.4113.4T32 L33T32-R35 WeakPolarHBondContact O-CB 3.37Å; T32-R35 PolarHBondContact O-N 3.08Å; L33-R35 PolarHBondContact O-N 2.91Å
36Q81.3Confident83.4Confident87 Ų8748.9 Ų48.941%0.40726%0.255SS..THydrogen-bonded Turntrans-102.3-46.2-177-58-172.349.800110.8L33 W68 S70L33-Q36 HydrophobicContact CD1-CB 4.48Å; L33-Q36 PolarHBondContact O-N 2.6Å; Q36-W68 PolarHBondContact OE1-O 3.09Å; Q36-S70 WeakPolarHBondContact O-CA 3.46Å
37V84.8Confident83.6Confident1 Ų144.3 Ų44.31%0.00623%0.234CC..SBendtrans-127.6128.3178.5-178.90000108.4L33 L42 W68 P74L33-V37 HydrophobicContact CD1-CB 4.4Å; L33-V37 HydrophobicContact CD1-CG2 4.4Å; L33-V37 PolarHBondContact O-N 2.85Å; V37-L42 HydrophobicContact CB-CD1 4.1Å; V37-L42 HydrophobicContact CB-CG 4.38Å; V37-L42 HydrophobicContact CG1-CD1 4Å; V37-L42 HydrophobicContact CG1-CD2 4.09Å; V37-L42 HydrophobicContact CG1-CG 3.74Å; V37-W68 HydrophobicContact CG2-CB 4.28Å; V37-W68 HydrophobicContact CG2-CE3 4.02Å; V37-P74 HydrophobicContact CG1-CG 3.82Å
38P87.3Confident83.5Confident44 Ų4444.7 Ų44.729%0.28623%0.231SC..  trans-53.6126.2176.4-27.534.1000112E40 R41 L42P38-E40 PolarHBondContact O-N 2.9Å; P38-R41 HydrophobicContact CB-CG 4.09Å; P38-R41 HydrophobicContact CG-CG 4.46Å; P38-R41 WeakPolarHBondContact O-CB 3.45Å; P38-R41 PolarHBondContact O-N 3.37Å; P38-L42 PolarHBondContact O-N 2.87Å
39P86.7Confident83.6Confident20 Ų2046.3 Ų46.313%0.1324%0.238CC..Hα-helixtrans-54.1-33.2178.8-32.239.5000114.9F25 F28 A34 R41 L42 A43F25-P39 HydrophobicContact CD2-CB 4.07Å; F25-P39 HydrophobicContact CE2-CB 3.89Å; F28-P39 HydrophobicContact CB-CB 3.61Å; F28-P39 HydrophobicContact CB-CG 3.91Å; F28-P39 HydrophobicContact CD2-CB 4.06Å; F28-P39 HydrophobicContact CG-CB 3.88Å; F28-P39 HydrophobicContact CG-CG 4.47Å; A34-P39 HydrophobicContact CB-CG 3.48Å; A34-P39 VanDerWaalsContact CB-CG 3.48Å; P39-R41 VanDerWaalsContact C-N 3.31Å; P39-R41 PolarHBondContact O-N 2.89Å; P39-L42 PolarHBondContact O-N 2.9Å; P39-A43 VanDerWaalsContact O-CB 3.32Å; P39-A43 WeakPolarHBondContact O-CB 3.29Å; P39-A43 PolarHBondContact O-N 2.86Å
40E82.3Confident83.7Confident84 Ų8439 Ų3939%0.39322%0.216SC..Hα-helixtrans-58.7-44.1176.5-62.678.7-175.200110.6F25 P38 A43 R44F25-E40 HydrophobicContact CD2-CG 4.09Å; F25-E40 HydrophobicContact CE2-CB 4.44Å; F25-E40 HydrophobicContact CE2-CG 3.53Å; F25-E40 WeakPolarHBondContact CE2-OE1 3.2Å; F25-E40 HydrophobicContact CZ-CG 4.25Å; F25-E40 WeakPolarHBondContact CZ-OE1 3.13Å; P38-E40 PolarHBondContact O-N 2.9Å; E40-A43 PolarHBondContact O-N 2.9Å; E40-R44 WeakPolarHBondContact O-CB 3.22Å; E40-R44 VanDerWaalsContact O-CG 3.31Å; E40-R44 WeakPolarHBondContact O-CG 3.45Å; E40-R44 PolarHBondContact O-N 3.44Å
41R84.1Confident83.9Confident19 Ų1937.8 Ų37.87%0.07220%0.203CC..Hα-helixtrans-68.2-39.5-179.3-64.9177.167.9-155.9-5.2111.7P38 P39 A45 P74 Y106 E108P38-R41 HydrophobicContact CB-CG 4.09Å; P38-R41 HydrophobicContact CG-CG 4.46Å; P38-R41 WeakPolarHBondContact O-CB 3.45Å; P38-R41 PolarHBondContact O-N 3.37Å; P39-R41 VanDerWaalsContact C-N 3.31Å; P39-R41 PolarHBondContact O-N 2.89Å; R41-A45 WeakPolarHBondContact O-CB 3.04Å; R41-A45 PolarHBondContact O-N 3.19Å; R41-P74 HydrophobicContact CB-CG 4.08Å; R41-Y106 VanDerWaalsContact CZ-CZ 3.44Å; R41-Y106 VanDerWaalsContact CZ-OH 3.31Å; R41-Y106 PolarHBondContact NE-OH 3.44Å; R41-Y106 VanDerWaalsContact NH2-CE1 3.29Å; R41-Y106 PolarHBondContact NH2-OH 3.48Å; R41-Y106 VanDerWaalsContact NH2-OH 3.16Å; R41-E108 WeakPolarHBondContact CD-OE1 3.34Å
42L87.1Confident83.8Confident0 Ų041.7 Ų41.70%022%0.223CC..Hα-helixtrans-65.4-46174.5-69.1163.7000110.8F28 L33 V37 P38 P39 R44 A45 G46 F47 V56 W68 P74F28-L42 HydrophobicContact CD1-CD1 4.15Å; F28-L42 HydrophobicContact CE1-CB 4.03Å; F28-L42 HydrophobicContact CE1-CD1 3.64Å; F28-L42 HydrophobicContact CE1-CG 4.43Å; F28-L42 HydrophobicContact CE2-CB 4Å; F28-L42 HydrophobicContact CZ-CB 3.54Å; F28-L42 HydrophobicContact CZ-CD1 4.08Å; F28-L42 HydrophobicContact CZ-CG 4.4Å; L33-L42 HydrophobicContact CD2-CD1 3.61Å; L33-L42 HydrophobicContact CG-CD1 3.82Å; V37-L42 HydrophobicContact CB-CD1 4.1Å; V37-L42 HydrophobicContact CB-CG 4.38Å; V37-L42 HydrophobicContact CG1-CD1 4Å; V37-L42 HydrophobicContact CG1-CD2 4.09Å; V37-L42 HydrophobicContact CG1-CG 3.74Å; P38-L42 PolarHBondContact O-N 2.87Å; P39-L42 PolarHBondContact O-N 2.9Å; L42-R44 PolarHBondContact O-N 3.19Å; L42-A45 PolarHBondContact O-N 3.35Å; L42-G46 PolarHBondContact O-N 2.94Å; L42-F47 HydrophobicContact CB-CB 4.42Å; L42-F47 HydrophobicContact CD2-CD2 4.31Å; L42-F47 WeakPolarHBondContact O-CB 3.32Å; L42-F47 PolarHBondContact O-N 2.96Å; L42-V56 HydrophobicContact CD2-CG2 4.37Å; L42-W68 HydrophobicContact CD2-CD2 4.19Å; L42-W68 HydrophobicContact CD2-CE3 4.15Å; L42-W68 HydrophobicContact CD2-CH2 3.55Å; L42-W68 HydrophobicContact CD2-CZ2 3.59Å; L42-W68 HydrophobicContact CD2-CZ3 3.84Å; L42-P74 HydrophobicContact CD2-CB 4.12Å; L42-P74 HydrophobicContact CD2-CG 3.95Å; L42-P74 HydrophobicContact CG-CG 4.33Å
43A84.4Confident83.9Confident0 Ų040.6 Ų40.60%022%0.223CC..Hα-helixtrans-63.7-39.1178.100000112.7F21 R24 F25 F28 P39 E40 G46 F47F21-A43 HydrophobicContact CD2-CB 4.16Å; F21-A43 HydrophobicContact CE2-CB 3.67Å; F21-A43 HydrophobicContact CZ-CB 4.22Å; R24-A43 HydrophobicContact CB-CB 4Å; R24-A43 PolarHBondContact NE-O 3.42Å; R24-A43 PolarHBondContact NH2-O 3.27Å; F25-A43 HydrophobicContact CB-CB 4.13Å; F28-A43 HydrophobicContact CE2-CB 4.42Å; P39-A43 VanDerWaalsContact O-CB 3.32Å; P39-A43 WeakPolarHBondContact O-CB 3.29Å; P39-A43 PolarHBondContact O-N 2.86Å; E40-A43 PolarHBondContact O-N 2.9Å; A43-G46 PolarHBondContact O-N 3.37Å; A43-G46 VanDerWaalsContact O-N 3.09Å; A43-F47 WeakPolarHBondContact CA-O 3.48Å
44R80.6Confident84.2Confident5 Ų542 Ų422%0.01923%0.23CC..Hα-helixtrans-64.4-41173.8-78.2-17717.2-150.9-13.3112.5F21 E40 L42 G46 F87 H92 E111 D112 Y115F21-R44 HydrophobicContact CE2-CG 3.79Å; E40-R44 WeakPolarHBondContact O-CB 3.22Å; E40-R44 VanDerWaalsContact O-CG 3.31Å; E40-R44 WeakPolarHBondContact O-CG 3.45Å; E40-R44 PolarHBondContact O-N 3.44Å; L42-R44 PolarHBondContact O-N 3.19Å; R44-G46 PolarHBondContact O-N 3.13Å; R44-F87 WeakPolarHBondContact O-CE1 3.25Å; R44-F87 WeakPolarHBondContact O-CZ 3.5Å; R44-H92 PolarHBondContact O-CE1 3.45Å; R44-E111 IonicContact CZ-OE1 3.68Å; R44-E111 VanDerWaalsContact NH2-C 3.33Å; R44-E111 VanDerWaalsContact NH2-CB 3.3Å; R44-E111 IonicContact NH2-OE1 3.83Å; R44-E111 PolarHBondContact NH2-OE1 3.03Å; R44-E111 IonicContact NH2-OE2 2.88Å; R44-D112 WeakPolarHBondContact CD-OD1 3.03Å; R44-D112 VanDerWaalsContact CZ-CA 3.44Å; R44-D112 IonicContact CZ-OD1 2.75Å; R44-D112 IonicContact NE-OD1 3.76Å; R44-D112 IonicContact NH1-OD1 3.98Å; R44-D112 PolarHBondContact NH1-OD1 2.78Å; R44-Y115 HydrophobicContact CB-CD1 4.3Å; R44-Y115 HydrophobicContact CB-CD2 4.14Å; R44-Y115 HydrophobicContact CB-CE1 4.33Å; R44-Y115 HydrophobicContact CB-CE2 4.19Å; R44-Y115 HydrophobicContact CB-CG 4.19Å; R44-Y115 HydrophobicContact CG-CD1 3.59Å; R44-Y115 HydrophobicContact CG-CD2 4.32Å; R44-Y115 HydrophobicContact CG-CE1 3.69Å; R44-Y115 HydrophobicContact CG-CE2 4.42Å; R44-Y115 HydrophobicContact CG-CG 3.91Å; R44-Y115 WeakPolarHBondContact O-CE2 3.44Å
45A82Confident85Confident0 Ų044.2 Ų44.20%023%0.23CC..THydrogen-bonded Turntrans-68.9-0.3172.900000113.6R41 L42 F47 P74 V75 H78R41-A45 WeakPolarHBondContact O-CB 3.04Å; R41-A45 PolarHBondContact O-N 3.19Å; L42-A45 PolarHBondContact O-N 3.35Å; A45-F47 HydrophobicContact CB-CD2 3.76Å; A45-F47 HydrophobicContact CB-CE2 3.88Å; A45-P74 HydrophobicContact CB-CB 3.53Å; A45-V75 HydrophobicContact CB-CG2 3.93Å; A45-H78 PolarHBondContact O-CE1 2.88Å; A45-H78 VanDerWaalsContact O-CE1 3.26Å; A45-H78 PolarHBondContact O-ND1 3.37Å
46G78.6Confident85.8Confident0 Ų033.8 Ų33.80%019%0.191CC..THydrogen-bonded Turntrans93.49.8173.900000113.8L42 A43 R44 C58 F59L42-G46 PolarHBondContact O-N 2.94Å; A43-G46 PolarHBondContact O-N 3.37Å; A43-G46 VanDerWaalsContact O-N 3.09Å; R44-G46 PolarHBondContact O-N 3.13Å; G46-C58 WeakPolarHBondContact O-CA 3.31Å; G46-F59 WeakPolarHBondContact O-CD1 3.23Å; G46-F59 PolarHBondContact O-N 3.36Å; G46-F59 VanDerWaalsContact O-N 3.15Å
47F90.9Very high86.3Confident0 Ų031.9 Ų31.90%018%0.182CC..EExtended strand (participates in β ladder)trans-91.8143.9-177.2-63.1-63.7000113F28 L42 A43 A45 V56 Q57 C58 V65 W68 P74 H78F28-F47 WeakPolarHBondContact CE2-O 3.48Å; F28-F47 HydrophobicContact CZ-CB 4.47Å; L42-F47 HydrophobicContact CB-CB 4.42Å; L42-F47 HydrophobicContact CD2-CD2 4.31Å; L42-F47 WeakPolarHBondContact O-CB 3.32Å; L42-F47 PolarHBondContact O-N 2.96Å; A43-F47 WeakPolarHBondContact CA-O 3.48Å; A45-F47 HydrophobicContact CB-CD2 3.76Å; A45-F47 HydrophobicContact CB-CE2 3.88Å; F47-V56 HydrophobicContact CB-CB 3.92Å; F47-V56 HydrophobicContact CB-CG2 3.8Å; F47-V56 HydrophobicContact CD1-CB 4.38Å; F47-V56 HydrophobicContact CD1-CG2 3.67Å; F47-V56 HydrophobicContact CD2-CG2 4.11Å; F47-V56 HydrophobicContact CE1-CG2 4.22Å; F47-V56 HydrophobicContact CG-CB 4.27Å; F47-V56 HydrophobicContact CG-CG2 3.61Å; F47-Q57 CarbonylContact C-O 3.56Å; F47-Q57 VanDerWaalsContact CA-O 3.31Å; F47-Q57 WeakPolarHBondContact CA-O 3.3Å; F47-C58 HydrophobicContact CD1-CB 4.08Å; F47-C58 HydrophobicContact CE1-CB 4.03Å; F47-V65 HydrophobicContact CE1-CB 4.38Å; F47-V65 HydrophobicContact CE1-CG2 3.73Å; F47-V65 HydrophobicContact CZ-CB 4.34Å; F47-V65 HydrophobicContact CZ-CG2 3.66Å; F47-W68 HydrophobicContact CD2-CH2 4.4Å; F47-W68 HydrophobicContact CD2-CZ2 4.42Å; F47-W68 HydrophobicContact CE2-CH2 4.01Å; F47-W68 HydrophobicContact CE2-CZ2 4.19Å; F47-P74 HydrophobicContact CD2-CB 4.47Å; F47-P74 HydrophobicContact CE2-CB 4.39Å; F47-H78 HydrophobicContact CE1-CB 4.45Å; F47-H78 HydrophobicContact CE2-CB 3.74Å; F47-H78 HydrophobicContact CZ-CB 3.4Å; F47-H78 AromaticContact CZ-CG 3.45Å; F47-H78 VanDerWaalsContact CZ-CG 3.45Å; F47-H78 AromaticContact CZ-ND1 3.7Å
48Y88.3Confident86.4Confident36 Ų3631.8 Ų31.814%0.14118%0.181CC..EExtended strand (participates in β ladder)trans-118.7154.3162.564.1-88.7000109.9F18 S27 T50 V56 Q57 F59F18-Y48 HydrophobicContact CB-CD1 3.82Å; F18-Y48 HydrophobicContact CB-CE1 4.34Å; F18-Y48 HydrophobicContact CB-CG 4.27Å; F18-Y48 HydrophobicContact CD1-CD1 4.26Å; F18-Y48 HydrophobicContact CD1-CD2 4.4Å; F18-Y48 AromaticContact CD1-CG 3.83Å; F18-Y48 HydrophobicContact CD1-CG 3.83Å; F18-Y48 AromaticContact CD2-CD1 3.94Å; F18-Y48 HydrophobicContact CD2-CD1 3.94Å; F18-Y48 AromaticContact CD2-CD2 3.96Å; F18-Y48 HydrophobicContact CD2-CD2 3.96Å; F18-Y48 HydrophobicContact CD2-CE1 4.11Å; F18-Y48 HydrophobicContact CD2-CE2 4.15Å; F18-Y48 AromaticContact CD2-CG 3.87Å; F18-Y48 HydrophobicContact CD2-CG 3.87Å; F18-Y48 HydrophobicContact CE1-CD2 4.26Å; F18-Y48 HydrophobicContact CE1-CG 4.09Å; F18-Y48 AromaticContact CE2-CD2 3.81Å; F18-Y48 HydrophobicContact CE2-CD2 3.81Å; F18-Y48 HydrophobicContact CE2-CE2 4.04Å; F18-Y48 HydrophobicContact CE2-CG 4.13Å; F18-Y48 AromaticContact CG-CD1 3.74Å; F18-Y48 HydrophobicContact CG-CD1 3.74Å; F18-Y48 HydrophobicContact CG-CD2 4.26Å; F18-Y48 HydrophobicContact CG-CE1 4.31Å; F18-Y48 AromaticContact CG-CG 3.72Å; F18-Y48 HydrophobicContact CG-CG 3.72Å; F18-Y48 AromaticContact CZ-CD2 3.96Å; F18-Y48 HydrophobicContact CZ-CD2 3.96Å; F18-Y48 HydrophobicContact CZ-CG 4.23Å; S27-Y48 WeakPolarHBondContact OG-CA 3.36Å; Y48-T50 HydrophobicContact CE2-CG2 4.44Å; Y48-V56 CarbonylContact O-C 3.56Å; Y48-V56 VanDerWaalsContact O-CA 3.31Å; Y48-V56 WeakPolarHBondContact O-CA 3.06Å; Y48-Q57 WeakPolarHBondContact CD1-O 3.5Å; Y48-Q57 HydrophobicContact CE1-CB 4.04Å; Y48-Q57 HydrophobicContact CE1-CG 4.25Å; Y48-Q57 VanDerWaalsContact CE1-O 3.29Å; Y48-Q57 WeakPolarHBondContact CE1-O 3.26Å; Y48-Q57 HydrophobicContact CE2-CB 4.16Å; Y48-Q57 PolarHBondContact N-O 2.84Å; Y48-Q57 PolarHBondContact O-N 2.99Å; Y48-Q57 PolarHBondContact OH-OE1 2.88Å; Y48-F59 HydrophobicContact CD1-CB 4.25Å; Y48-F59 HydrophobicContact CE1-CB 4.29Å
49F91.3Very high86.1Confident37 Ų3732.2 Ų32.216%0.16218%0.179CC..EExtended strand (participates in β ladder)trans-75.3130.5178-173.2-124.4000110.6S27 F28 G51 A53 R55S27-F49 WeakPolarHBondContact O-CB 3.19Å; S27-F49 PolarHBondContact OG-N 3.21Å; F28-F49 HydrophobicContact CD1-CB 3.71Å; F28-F49 HydrophobicContact CD1-CD2 4.49Å; F28-F49 HydrophobicContact CD1-CG 4.32Å; F28-F49 HydrophobicContact CE1-CB 3.75Å; F28-F49 HydrophobicContact CE1-CD2 4.48Å; F28-F49 HydrophobicContact CG-CB 4.25Å; F28-F49 HydrophobicContact CZ-CB 4.35Å; F49-G51 VanDerWaalsContact C-N 3.29Å; F49-G51 PolarHBondContact O-N 2.79Å; F49-A53 VanDerWaalsContact CE2-O 3.29Å; F49-A53 WeakPolarHBondContact CE2-O 3.31Å; F49-A53 WeakPolarHBondContact CZ-O 3.44Å; F49-R55 WeakPolarHBondContact CD2-O 3.41Å
50T87.9Confident85.3Confident47 Ų4733.5 Ų33.529%0.28819%0.188SC..  trans-83.4-5.6-178.263.20000113.4Y48 R55 Q57Y48-T50 HydrophobicContact CE2-CG2 4.44Å; T50-R55 PolarHBondContact N-O 2.82Å; T50-R55 WeakPolarHBondContact OG1-CB 3.31Å; T50-R55 PolarHBondContact OG1-O 3.4Å; T50-Q57 HydrophobicContact CG2-CB 3.61Å
51G83.1Confident84.8Confident60 Ų6031 Ų3162%0.61918%0.18SC*.SBendtrans91.11.5-179.200000115F49F49-G51 VanDerWaalsContact C-N 3.29Å; F49-G51 PolarHBondContact O-N 2.79Å
52D82.1Confident84.9Confident95 Ų9534.6 Ų34.651%0.50820%0.2SC..SBendtrans-131.3129.4-176.1-174.419.1000111.3D54 R55D52-D54 PolarHBondContact O-N 3.01Å; D52-R55 WeakPolarHBondContact O-CB 3.4Å; D52-R55 PolarHBondContact O-N 2.75Å; D52-R55 IonicContact OD2-NH1 3.99Å
53A85.1Confident85Confident61 Ų6138.7 Ų38.750%0.50422%0.219SC..THydrogen-bonded Turntrans44.3-119.4-178.600000113.6F49F49-A53 VanDerWaalsContact CE2-O 3.29Å; F49-A53 WeakPolarHBondContact CE2-O 3.31Å; F49-A53 WeakPolarHBondContact CZ-O 3.44Å
54D89.9Confident85.4Confident28 Ų2840.9 Ų40.915%0.1523%0.233CC..THydrogen-bonded Turntrans-112.517.9175.972.6-23.8000112.2L33 D52 N67 W68L33-D54 HydrophobicContact CD1-CB 4.23Å; D52-D54 PolarHBondContact O-N 3.01Å; D54-N67 PolarHBondContact OD1-N 2.98Å; D54-N67 WeakPolarHBondContact OD2-CA 3.48Å; D54-N67 PolarHBondContact OD2-N 3.4Å; D54-W68 PolarHBondContact O-NE1 2.7Å; D54-W68 PolarHBondContact OD2-N 3.47Å
55R91.5Very high86Confident85 Ų8540.7 Ų40.732%0.32123%0.233SC..  trans-76.8131.4-173.8-58177.668.9-136.2-6.4110.2F49 T50 D52 T64 E66F49-R55 WeakPolarHBondContact CD2-O 3.41Å; T50-R55 PolarHBondContact N-O 2.82Å; T50-R55 WeakPolarHBondContact OG1-CB 3.31Å; T50-R55 PolarHBondContact OG1-O 3.4Å; D52-R55 WeakPolarHBondContact O-CB 3.4Å; D52-R55 PolarHBondContact O-N 2.75Å; D52-R55 IonicContact OD2-NH1 3.99Å; R55-T64 HydrophobicContact CB-CG2 4.24Å; R55-E66 WeakPolarHBondContact CD-OE2 3.49Å; R55-E66 HydrophobicContact CG-CB 3.89Å; R55-E66 IonicContact NE-OE2 3.13Å; R55-E66 PolarHBondContact NE-OE2 3.4Å; R55-E66 VanDerWaalsContact NE-OE2 3.13Å
56V93.3Very high86.5Confident0 Ų044.9 Ų44.90%025%0.252CS..EExtended strand (participates in β ladder)trans-130.4146.3177.1-51.30000110.3F28 L33 L42 F47 Y48 T64 V65 W68F28-V56 HydrophobicContact CE1-CG1 3.71Å; F28-V56 HydrophobicContact CZ-CG1 4.19Å; L33-V56 HydrophobicContact CD2-CG1 3.33Å; L42-V56 HydrophobicContact CD2-CG2 4.37Å; F47-V56 HydrophobicContact CB-CB 3.92Å; F47-V56 HydrophobicContact CB-CG2 3.8Å; F47-V56 HydrophobicContact CD1-CB 4.38Å; F47-V56 HydrophobicContact CD1-CG2 3.67Å; F47-V56 HydrophobicContact CD2-CG2 4.11Å; F47-V56 HydrophobicContact CE1-CG2 4.22Å; F47-V56 HydrophobicContact CG-CB 4.27Å; F47-V56 HydrophobicContact CG-CG2 3.61Å; Y48-V56 CarbonylContact O-C 3.56Å; Y48-V56 VanDerWaalsContact O-CA 3.31Å; Y48-V56 WeakPolarHBondContact O-CA 3.06Å; V56-T64 CarbonylContact O-C 3.54Å; V56-T64 VanDerWaalsContact O-CA 3.27Å; V56-T64 WeakPolarHBondContact O-CA 3.35Å; V56-V65 HydrophobicContact CG2-CB 4.19Å; V56-V65 PolarHBondContact N-O 2.81Å; V56-V65 PolarHBondContact O-N 3.47Å; V56-W68 HydrophobicContact CG2-CZ2 3.44Å; V56-W68 VanDerWaalsContact CG2-CZ2 3.44Å
57Q90.5Very high87Confident47 Ų4749.7 Ų49.722%0.2228%0.278CS..EExtended strand (participates in β ladder)trans-128.5138.4-174.6-172.4175.94.200111.1F47 Y48 T50 N62 Q63F47-Q57 CarbonylContact C-O 3.56Å; F47-Q57 VanDerWaalsContact CA-O 3.31Å; F47-Q57 WeakPolarHBondContact CA-O 3.3Å; Y48-Q57 WeakPolarHBondContact CD1-O 3.5Å; Y48-Q57 HydrophobicContact CE1-CB 4.04Å; Y48-Q57 HydrophobicContact CE1-CG 4.25Å; Y48-Q57 VanDerWaalsContact CE1-O 3.29Å; Y48-Q57 WeakPolarHBondContact CE1-O 3.26Å; Y48-Q57 HydrophobicContact CE2-CB 4.16Å; Y48-Q57 PolarHBondContact N-O 2.84Å; Y48-Q57 PolarHBondContact O-N 2.99Å; Y48-Q57 PolarHBondContact OH-OE1 2.88Å; T50-Q57 HydrophobicContact CG2-CB 3.61Å; Q57-N62 WeakPolarHBondContact CG-O 3.39Å; Q57-N62 PolarHBondContact NE2-O 3.11Å; Q57-Q63 WeakPolarHBondContact CA-O 3.33Å
58C87.8Confident87Confident0 Ų049.9 Ų49.90%028%0.279CS..EExtended strand (participates in β ladder)trans-78129.5177.9171.90000110.6G46 F47 S60 C61 N62 Q63 H78G46-C58 WeakPolarHBondContact O-CA 3.31Å; F47-C58 HydrophobicContact CD1-CB 4.08Å; F47-C58 HydrophobicContact CE1-CB 4.03Å; C58-S60 PolarHBondContact O-N 3.3Å; C58-S60 PolarHBondContact SG-N 3.26Å; C58-C61 VanDerWaalsContact CB-SG 3.5Å; C58-C61 PolarHBondContact SG-N 3.49Å; C58-C61 VanDerWaalsContact SG-N 3.39Å; C58-C61 PolarHBondContact SG-SG 3.36Å; C58-N62 WeakPolarHBondContact O-CA 3.39Å; C58-N62 PolarHBondContact O-N 2.9Å; C58-N62 PolarHBondContact O-OD1 3.45Å; C58-Q63 PolarHBondContact N-O 2.81Å; C58-H78 PolarHBondContact SG-CE1 3.15Å; C58-H78 PolarHBondContact SG-NE2 3.28Å; C58-H78 VanDerWaalsContact SG-NE2 3.4Å
59F80.8Confident86.9Confident52 Ų5253.6 Ų53.623%0.22830%0.297CS..THydrogen-bonded Turntrans-66.3-23.1178.581.7-87.1000114F18 G46 Y48 F87F18-F59 HydrophobicContact CB-CB 3.76Å; F18-F59 WeakPolarHBondContact O-CB 3.15Å; F18-F59 WeakPolarHBondContact O-CD1 3.39Å; F18-F59 VanDerWaalsContact O-CG 3.26Å; F18-F59 WeakPolarHBondContact O-CG 3.35Å; G46-F59 WeakPolarHBondContact O-CD1 3.23Å; G46-F59 PolarHBondContact O-N 3.36Å; G46-F59 VanDerWaalsContact O-N 3.15Å; Y48-F59 HydrophobicContact CD1-CB 4.25Å; Y48-F59 HydrophobicContact CE1-CB 4.29Å; F59-F87 HydrophobicContact CE1-CB 4.27Å; F59-F87 HydrophobicContact CE1-CD1 4.1Å; F59-F87 AromaticContact CE1-CD2 3.44Å; F59-F87 HydrophobicContact CE1-CD2 3.44Å; F59-F87 VanDerWaalsContact CE1-CD2 3.44Å; F59-F87 HydrophobicContact CE1-CE1 4.31Å; F59-F87 AromaticContact CE1-CE2 3.64Å; F59-F87 HydrophobicContact CE1-CE2 3.64Å; F59-F87 AromaticContact CE1-CG 3.65Å; F59-F87 HydrophobicContact CE1-CG 3.65Å; F59-F87 HydrophobicContact CE1-CZ 4.06Å; F59-F87 HydrophobicContact CZ-CB 4.14Å; F59-F87 AromaticContact CZ-CD2 3.34Å; F59-F87 HydrophobicContact CZ-CD2 3.34Å; F59-F87 AromaticContact CZ-CE2 3.83Å; F59-F87 HydrophobicContact CZ-CE2 3.83Å; F59-F87 AromaticContact CZ-CG 3.8Å; F59-F87 HydrophobicContact CZ-CG 3.8Å
60S69.5Low86.3Confident47 Ų4756.8 Ų56.833%0.32932%0.324SS..THydrogen-bonded Turntrans-96.4-41.8-172.91760000113.5C58 F87C58-S60 PolarHBondContact O-N 3.3Å; C58-S60 PolarHBondContact SG-N 3.26Å; S60-F87 PolarHBondContact OG-N 3.17Å
61C72.4Confident85.8Confident32 Ų3257.6 Ų57.622%0.21634%0.342CS..THydrogen-bonded Turntrans-108.1-4.1-179.570.90000113.1C58 Q63 H78 C85C58-C61 VanDerWaalsContact CB-SG 3.5Å; C58-C61 PolarHBondContact SG-N 3.49Å; C58-C61 VanDerWaalsContact SG-N 3.39Å; C58-C61 PolarHBondContact SG-SG 3.36Å; C61-Q63 PolarHBondContact O-N 3.33Å; C61-H78 PolarHBondContact SG-NE2 3.28Å; C61-C85 HydrophobicContact CB-CB 3.97Å
62N85.4Confident85.9Confident94 Ų9456.3 Ų56.350%0.50332%0.321SS..  trans608.9-179.5-60.1-34.8000115.4Q57 C58Q57-N62 WeakPolarHBondContact CG-O 3.39Å; Q57-N62 PolarHBondContact NE2-O 3.11Å; C58-N62 WeakPolarHBondContact O-CA 3.39Å; C58-N62 PolarHBondContact O-N 2.9Å; C58-N62 PolarHBondContact O-OD1 3.45Å
63Q89.3Confident86.1Confident86 Ų8654.2 Ų54.240%0.40231%0.311SS..  trans-73137.3176.7-64.8-60.177.200111.4Q57 C58 C61 V81Q57-Q63 WeakPolarHBondContact CA-O 3.33Å; C58-Q63 PolarHBondContact N-O 2.81Å; C61-Q63 PolarHBondContact O-N 3.33Å; Q63-V81 HydrophobicContact CB-CG1 4.2Å
64T93.4Very high86.2Confident46 Ų4651.3 Ų51.328%0.28229%0.287SS..EExtended strand (participates in β ladder)trans-99.1138.2179.4-55.50000110.1R55 V56R55-T64 HydrophobicContact CB-CG2 4.24Å; V56-T64 CarbonylContact O-C 3.54Å; V56-T64 VanDerWaalsContact O-CA 3.27Å; V56-T64 WeakPolarHBondContact O-CA 3.35Å
65V92.5Very high85.9Confident2 Ų251.2 Ų51.21%0.01229%0.288CS..EExtended strand (participates in β ladder)trans-126.5137.1176.1-174.10000108.8F47 V56 W68 R77 V81F47-V65 HydrophobicContact CE1-CB 4.38Å; F47-V65 HydrophobicContact CE1-CG2 3.73Å; F47-V65 HydrophobicContact CZ-CB 4.34Å; F47-V65 HydrophobicContact CZ-CG2 3.66Å; V56-V65 HydrophobicContact CG2-CB 4.19Å; V56-V65 PolarHBondContact N-O 2.81Å; V56-V65 PolarHBondContact O-N 3.47Å; V65-W68 HydrophobicContact CB-CZ2 3.79Å; V65-W68 HydrophobicContact CG1-CH2 4.14Å; V65-W68 HydrophobicContact CG1-CZ2 3.48Å; V65-W68 VanDerWaalsContact CG1-CZ2 3.48Å; V65-W68 PolarHBondContact O-NE1 2.97Å; V65-R77 HydrophobicContact CG1-CB 4.37Å; V65-V81 HydrophobicContact CG2-CB 4.42Å; V65-V81 HydrophobicContact CG2-CG2 3.87Å
66E92.8Very high85.6Confident88 Ų8851.2 Ų51.241%0.41129%0.291SS..  trans-146.1172-174.360.3-176.1-159.500110.4R55R55-E66 WeakPolarHBondContact CD-OE2 3.49Å; R55-E66 HydrophobicContact CG-CB 3.89Å; R55-E66 IonicContact NE-OE2 3.13Å; R55-E66 PolarHBondContact NE-OE2 3.4Å; R55-E66 VanDerWaalsContact NE-OE2 3.13Å
67N89.7Confident85.4Confident101 Ų10154 Ų5454%0.5430%0.302SS..  trans61.857.4-173.2-52.9-67.7000113D54 H69 R77D54-N67 PolarHBondContact OD1-N 2.98Å; D54-N67 WeakPolarHBondContact OD2-CA 3.48Å; D54-N67 PolarHBondContact OD2-N 3.4Å; N67-H69 PolarHBondContact O-CE1 2.99Å; N67-H69 VanDerWaalsContact O-CE1 3.32Å; N67-H69 PolarHBondContact O-ND1 3.02Å; N67-R77 PolarHBondContact O-NH1 2.93Å
68W89.5Confident85.3Confident4 Ų451.8 Ų51.82%0.01529%0.292CS..  trans-79.5143.4179.4-68.989.7000112.6L33 Q36 V37 L42 F47 D54 V56 V65 D72 P74 R77L33-W68 HydrophobicContact CD1-CB 3.51Å; L33-W68 HydrophobicContact CD1-CG 3.75Å; Q36-W68 PolarHBondContact OE1-O 3.09Å; V37-W68 HydrophobicContact CG2-CB 4.28Å; V37-W68 HydrophobicContact CG2-CE3 4.02Å; L42-W68 HydrophobicContact CD2-CD2 4.19Å; L42-W68 HydrophobicContact CD2-CE3 4.15Å; L42-W68 HydrophobicContact CD2-CH2 3.55Å; L42-W68 HydrophobicContact CD2-CZ2 3.59Å; L42-W68 HydrophobicContact CD2-CZ3 3.84Å; F47-W68 HydrophobicContact CD2-CH2 4.4Å; F47-W68 HydrophobicContact CD2-CZ2 4.42Å; F47-W68 HydrophobicContact CE2-CH2 4.01Å; F47-W68 HydrophobicContact CE2-CZ2 4.19Å; D54-W68 PolarHBondContact O-NE1 2.7Å; D54-W68 PolarHBondContact OD2-N 3.47Å; V56-W68 HydrophobicContact CG2-CZ2 3.44Å; V56-W68 VanDerWaalsContact CG2-CZ2 3.44Å; V65-W68 HydrophobicContact CB-CZ2 3.79Å; V65-W68 HydrophobicContact CG1-CH2 4.14Å; V65-W68 HydrophobicContact CG1-CZ2 3.48Å; V65-W68 VanDerWaalsContact CG1-CZ2 3.48Å; V65-W68 PolarHBondContact O-NE1 2.97Å; W68-D72 WeakPolarHBondContact CA-OD2 3.36Å; W68-D72 HydrophobicContact CE3-CB 3.82Å; W68-D72 HydrophobicContact CZ3-CB 4.14Å; W68-P74 HydrophobicContact CH2-CB 3.91Å; W68-P74 HydrophobicContact CH2-CG 4.22Å; W68-P74 HydrophobicContact CZ3-CB 4Å; W68-P74 HydrophobicContact CZ3-CG 3.84Å; W68-R77 HydrophobicContact CH2-CB 3.98Å; W68-R77 HydrophobicContact CH2-CG 4.44Å; W68-R77 HydrophobicContact CZ3-CB 4.16Å; W68-R77 HydrophobicContact CZ3-CG 4.12Å
69H87.1Confident85.1Confident114 Ų11455 Ų5553%0.52831%0.305SS..  trans-125.8160.9174.2-56.280.9000111.3N67 G71 D72N67-H69 PolarHBondContact O-CE1 2.99Å; N67-H69 VanDerWaalsContact O-CE1 3.32Å; N67-H69 PolarHBondContact O-ND1 3.02Å; H69-G71 PolarHBondContact O-N 3.34Å; H69-D72 PolarHBondContact N-OD2 3.17Å; H69-D72 IonicContact ND1-OD2 3.89Å; H69-D72 WeakPolarHBondContact O-CB 3.33Å; H69-D72 PolarHBondContact O-N 3.15Å
70S78.6Confident85.4Confident103 Ų10357.9 Ų57.972%0.7232%0.32SS*.THydrogen-bonded Turntrans-63.4-14-175.652.50000115.8Q36Q36-S70 WeakPolarHBondContact O-CA 3.46Å
71G77.5Confident86.3Confident65 Ų6558.4 Ų58.467%0.6732%0.321SS*.THydrogen-bonded Turntrans-100.1-3.7174.400000114.7H69H69-G71 PolarHBondContact O-N 3.34Å
72D84.9Confident86.6Confident33 Ų3357.6 Ų57.618%0.17632%0.315CS..  trans-68.6142.5-175-74.6-12.5000111.1W68 H69 P74 R77W68-D72 WeakPolarHBondContact CA-OD2 3.36Å; W68-D72 HydrophobicContact CE3-CB 3.82Å; W68-D72 HydrophobicContact CZ3-CB 4.14Å; H69-D72 PolarHBondContact N-OD2 3.17Å; H69-D72 IonicContact ND1-OD2 3.89Å; H69-D72 WeakPolarHBondContact O-CB 3.33Å; H69-D72 PolarHBondContact O-N 3.15Å; D72-P74 WeakPolarHBondContact O-CD 3.12Å; D72-R77 HydrophobicContact CB-CG 4.31Å; D72-R77 IonicContact OD2-NH1 3.7Å
73T85.6Confident86.4Confident50 Ų5057.2 Ų57.231%0.30732%0.318SS..  trans-103.3109.217645.80000108.9V75 Q76 R77 Y106T73-V75 VanDerWaalsContact C-N 3.31Å; T73-V75 PolarHBondContact O-N 3.4Å; T73-Q76 PolarHBondContact O-N 3.04Å; T73-Q76 VanDerWaalsContact O-N 3.1Å; T73-Q76 WeakPolarHBondContact OG1-CB 3.31Å; T73-R77 WeakPolarHBondContact O-CG 3.46Å; T73-R77 PolarHBondContact O-N 2.96Å; T73-Y106 HydrophobicContact CG2-CD2 4.16Å; T73-Y106 HydrophobicContact CG2-CE2 4.27Å
74P87.9Confident85.6Confident1 Ų158 Ų581%0.00633%0.333CS..Hα-helixtrans-56.4-39.5-172.4-31.938.9000115.2V37 R41 L42 A45 F47 W68 D72 H78V37-P74 HydrophobicContact CG1-CG 3.82Å; R41-P74 HydrophobicContact CB-CG 4.08Å; L42-P74 HydrophobicContact CD2-CB 4.12Å; L42-P74 HydrophobicContact CD2-CG 3.95Å; L42-P74 HydrophobicContact CG-CG 4.33Å; A45-P74 HydrophobicContact CB-CB 3.53Å; F47-P74 HydrophobicContact CD2-CB 4.47Å; F47-P74 HydrophobicContact CE2-CB 4.39Å; W68-P74 HydrophobicContact CH2-CB 3.91Å; W68-P74 HydrophobicContact CH2-CG 4.22Å; W68-P74 HydrophobicContact CZ3-CB 4Å; W68-P74 HydrophobicContact CZ3-CG 3.84Å; D72-P74 WeakPolarHBondContact O-CD 3.12Å; P74-H78 VanDerWaalsContact O-CB 3.3Å; P74-H78 WeakPolarHBondContact O-CB 3.33Å; P74-H78 PolarHBondContact O-N 2.93Å
75V84.8Confident84.7Confident26 Ų2655.9 Ų55.916%0.15832%0.32CS..Hα-helixtrans-63.8-43.7177.3177.50000111.8A45 T73 H78 K79 L88 H92 E111A45-V75 HydrophobicContact CB-CG2 3.93Å; T73-V75 VanDerWaalsContact C-N 3.31Å; T73-V75 PolarHBondContact O-N 3.4Å; V75-H78 WeakPolarHBondContact O-CB 3.44Å; V75-H78 PolarHBondContact O-N 3.23Å; V75-K79 WeakPolarHBondContact O-CB 3.42Å; V75-K79 PolarHBondContact O-N 3.47Å; V75-L88 HydrophobicContact CG1-CD1 4.12Å; V75-H92 HydrophobicContact CG1-CB 4.07Å; V75-E111 WeakPolarHBondContact CG2-OE1 3.18Å
76Q83.7Confident83.3Confident85 Ų8561.8 Ų61.840%0.39734%0.342SS..Hα-helixtrans-68.1-44.2179.618054.130.900111T73 H78 K79 E80T73-Q76 PolarHBondContact O-N 3.04Å; T73-Q76 VanDerWaalsContact O-N 3.1Å; T73-Q76 WeakPolarHBondContact OG1-CB 3.31Å; Q76-H78 VanDerWaalsContact C-N 3.29Å; Q76-H78 PolarHBondContact O-N 3.02Å; Q76-K79 WeakPolarHBondContact O-CB 3.27Å; Q76-K79 PolarHBondContact O-N 3.46Å; Q76-K79 VanDerWaalsContact O-N 3.12Å; Q76-E80 PolarHBondContact NE2-OE1 2.92Å; Q76-E80 VanDerWaalsContact NE2-OE1 3.09Å; Q76-E80 WeakPolarHBondContact O-CG 3.41Å; Q76-E80 PolarHBondContact O-N 3.09Å
77R89.3Confident82.2Confident59 Ų5958.6 Ų58.622%0.22333%0.327CS..Hα-helixtrans-58.8-42.7174.6-67.7-123.456.2-174.2-13.1111V65 N67 W68 D72 T73 K79 E80 V81V65-R77 HydrophobicContact CG1-CB 4.37Å; N67-R77 PolarHBondContact O-NH1 2.93Å; W68-R77 HydrophobicContact CH2-CB 3.98Å; W68-R77 HydrophobicContact CH2-CG 4.44Å; W68-R77 HydrophobicContact CZ3-CB 4.16Å; W68-R77 HydrophobicContact CZ3-CG 4.12Å; D72-R77 HydrophobicContact CB-CG 4.31Å; D72-R77 IonicContact OD2-NH1 3.7Å; T73-R77 WeakPolarHBondContact O-CG 3.46Å; T73-R77 PolarHBondContact O-N 2.96Å; R77-K79 PolarHBondContact O-N 3.06Å; R77-E80 IonicContact NE-OE2 3.93Å; R77-E80 PolarHBondContact O-N 3.3Å; R77-V81 WeakPolarHBondContact O-CG2 3.45Å; R77-V81 PolarHBondContact O-N 3.27Å
78H87.8Confident81.2Confident0 Ų054.2 Ų54.20%030%0.303CS..Hα-helixtrans-61.9-44.3174.4-165.8168.9000112A45 F47 C58 C61 P74 V75 Q76 E80 V81 S82 C85 L88A45-H78 PolarHBondContact O-CE1 2.88Å; A45-H78 VanDerWaalsContact O-CE1 3.26Å; A45-H78 PolarHBondContact O-ND1 3.37Å; F47-H78 HydrophobicContact CE1-CB 4.45Å; F47-H78 HydrophobicContact CE2-CB 3.74Å; F47-H78 HydrophobicContact CZ-CB 3.4Å; F47-H78 AromaticContact CZ-CG 3.45Å; F47-H78 VanDerWaalsContact CZ-CG 3.45Å; F47-H78 AromaticContact CZ-ND1 3.7Å; C58-H78 PolarHBondContact SG-CE1 3.15Å; C58-H78 PolarHBondContact SG-NE2 3.28Å; C58-H78 VanDerWaalsContact SG-NE2 3.4Å; C61-H78 PolarHBondContact SG-NE2 3.28Å; P74-H78 VanDerWaalsContact O-CB 3.3Å; P74-H78 WeakPolarHBondContact O-CB 3.33Å; P74-H78 PolarHBondContact O-N 2.93Å; V75-H78 WeakPolarHBondContact O-CB 3.44Å; V75-H78 PolarHBondContact O-N 3.23Å; Q76-H78 VanDerWaalsContact C-N 3.29Å; Q76-H78 PolarHBondContact O-N 3.02Å; H78-E80 VanDerWaalsContact C-N 3.29Å; H78-E80 PolarHBondContact O-N 3.06Å; H78-V81 PolarHBondContact O-N 3.4Å; H78-S82 PolarHBondContact O-N 3.47Å; H78-C85 PolarHBondContact NE2-SG 2.82Å; H78-L88 HydrophobicContact CB-CD1 3.55Å; H78-L88 VanDerWaalsContact CG-CD1 3.46Å; H78-L88 WeakPolarHBondContact ND1-CD1 3.39Å
79K83.8Confident80Confident66 Ų6657.8 Ų57.829%0.28733%0.325SS..Hα-helixtrans-62.8-34178.5-173.1176.2175.8-178.90112.9V75 Q76 R77 S82 P83 L88 N94V75-K79 WeakPolarHBondContact O-CB 3.42Å; V75-K79 PolarHBondContact O-N 3.47Å; Q76-K79 WeakPolarHBondContact O-CB 3.27Å; Q76-K79 PolarHBondContact O-N 3.46Å; Q76-K79 VanDerWaalsContact O-N 3.12Å; R77-K79 PolarHBondContact O-N 3.06Å; K79-S82 CarbonylContact O-C 3.51Å; K79-P83 HydrophobicContact CG-CB 4.37Å; K79-P83 VanDerWaalsContact O-CA 3.27Å; K79-P83 WeakPolarHBondContact O-CA 3.5Å; K79-P83 WeakPolarHBondContact O-CB 3.45Å; K79-P83 VanDerWaalsContact O-CD 3.24Å; K79-P83 WeakPolarHBondContact O-CD 3.36Å; K79-P83 VanDerWaalsContact O-N 3.08Å; K79-L88 HydrophobicContact CB-CD2 4.04Å; K79-L88 HydrophobicContact CG-CD2 4.27Å; K79-N94 PolarHBondContact NZ-OD1 3.24Å
80E87.8Confident78.4Confident114 Ų11455.9 Ų55.953%0.53332%0.324SS..Hα-helixtrans-65.2-40.2175-73162.1-170.500112.1Q76 R77 H78Q76-E80 PolarHBondContact NE2-OE1 2.92Å; Q76-E80 VanDerWaalsContact NE2-OE1 3.09Å; Q76-E80 WeakPolarHBondContact O-CG 3.41Å; Q76-E80 PolarHBondContact O-N 3.09Å; R77-E80 IonicContact NE-OE2 3.93Å; R77-E80 PolarHBondContact O-N 3.3Å; H78-E80 VanDerWaalsContact C-N 3.29Å; H78-E80 PolarHBondContact O-N 3.06Å
81V88.4Confident77.2Confident58 Ų5851.4 Ų51.435%0.35229%0.293SS..Hα-helixtrans-86.8-24.9-178.9-160.40000112.5Q63 V65 R77 H78Q63-V81 HydrophobicContact CB-CG1 4.2Å; V65-V81 HydrophobicContact CG2-CB 4.42Å; V65-V81 HydrophobicContact CG2-CG2 3.87Å; R77-V81 WeakPolarHBondContact O-CG2 3.45Å; R77-V81 PolarHBondContact O-N 3.27Å; H78-V81 PolarHBondContact O-N 3.4Å
82S79.8Confident76.5Confident14 Ų1449.4 Ų49.410%0.09827%0.266CS..  trans-153.276.7-178.1-160.90000112.2H78 K79 S84 C85H78-S82 PolarHBondContact O-N 3.47Å; K79-S82 CarbonylContact O-C 3.51Å; S82-S84 PolarHBondContact O-N 2.94Å; S82-C85 VanDerWaalsContact O-CB 3.3Å; S82-C85 WeakPolarHBondContact O-CB 3.46Å; S82-C85 PolarHBondContact O-N 2.73Å; S82-C85 VanDerWaalsContact O-N 3.16Å
83P79.6Confident75Confident86 Ų8650.7 Ų50.756%0.55828%0.277SS*.THydrogen-bonded Turntrans-68.1-19.6-177.526.1-33.8000113.4K79K79-P83 HydrophobicContact CG-CB 4.37Å; K79-P83 VanDerWaalsContact O-CA 3.27Å; K79-P83 WeakPolarHBondContact O-CA 3.5Å; K79-P83 WeakPolarHBondContact O-CB 3.45Å; K79-P83 VanDerWaalsContact O-CD 3.24Å; K79-P83 WeakPolarHBondContact O-CD 3.36Å; K79-P83 VanDerWaalsContact O-N 3.08Å
84S73.4Confident73.5Confident102 Ų10255.1 Ų55.171%0.71330%0.298SS*.THydrogen-bonded Turntrans-99.99.817855.70000113.4S82 R86S82-S84 PolarHBondContact O-N 2.94Å; S84-R86 PolarHBondContact O-N 3Å; S84-R86 VanDerWaalsContact O-N 3.14Å
85C73.4Confident71.4Confident3 Ų358.9 Ų58.92%0.0233%0.325CS..  trans-56.1119.8177.4174.40000110.6C61 H78 S82 F87 L88 V89C61-C85 HydrophobicContact CB-CB 3.97Å; H78-C85 PolarHBondContact NE2-SG 2.82Å; S82-C85 VanDerWaalsContact O-CB 3.3Å; S82-C85 WeakPolarHBondContact O-CB 3.46Å; S82-C85 PolarHBondContact O-N 2.73Å; S82-C85 VanDerWaalsContact O-N 3.16Å; C85-F87 VanDerWaalsContact C-N 3.32Å; C85-F87 PolarHBondContact O-N 3.37Å; C85-L88 HydrophobicContact CB-CB 3.85Å; C85-L88 PolarHBondContact O-N 2.92Å; C85-V89 WeakPolarHBondContact O-CG2 3.38Å; C85-V89 PolarHBondContact O-N 3.47Å
86R64.3Low69.1Low125 Ų12565.2 Ų65.247%0.47235%0.354SS..Hα-helixtrans-59.5-41.9-175-172.7172173.5116.91112.1S84 L88 C90 K355S84-R86 PolarHBondContact O-N 3Å; S84-R86 VanDerWaalsContact O-N 3.14Å; R86-L88 PolarHBondContact O-N 3.39Å; R86-C90 WeakPolarHBondContact O-CB 3.13Å; R86-C90 PolarHBondContact O-N 2.82Å; R86-C90 PolarHBondContact O-SG 3.3Å; R86-K355 PolarHBondContact NH1-O 3.03Å
87F69.9Low66.6Low22 Ų2270.1 Ų70.110%0.09637%0.374CS..Hα-helixtrans-61.2-42.9174.6170.8-98.1000112.6R44 F59 S60 C85 C90 S91 Y115R44-F87 WeakPolarHBondContact O-CE1 3.25Å; R44-F87 WeakPolarHBondContact O-CZ 3.5Å; F59-F87 HydrophobicContact CE1-CB 4.27Å; F59-F87 HydrophobicContact CE1-CD1 4.1Å; F59-F87 AromaticContact CE1-CD2 3.44Å; F59-F87 HydrophobicContact CE1-CD2 3.44Å; F59-F87 VanDerWaalsContact CE1-CD2 3.44Å; F59-F87 HydrophobicContact CE1-CE1 4.31Å; F59-F87 AromaticContact CE1-CE2 3.64Å; F59-F87 HydrophobicContact CE1-CE2 3.64Å; F59-F87 AromaticContact CE1-CG 3.65Å; F59-F87 HydrophobicContact CE1-CG 3.65Å; F59-F87 HydrophobicContact CE1-CZ 4.06Å; F59-F87 HydrophobicContact CZ-CB 4.14Å; F59-F87 AromaticContact CZ-CD2 3.34Å; F59-F87 HydrophobicContact CZ-CD2 3.34Å; F59-F87 AromaticContact CZ-CE2 3.83Å; F59-F87 HydrophobicContact CZ-CE2 3.83Å; F59-F87 AromaticContact CZ-CG 3.8Å; F59-F87 HydrophobicContact CZ-CG 3.8Å; S60-F87 PolarHBondContact OG-N 3.17Å; C85-F87 VanDerWaalsContact C-N 3.32Å; C85-F87 PolarHBondContact O-N 3.37Å; F87-C90 PolarHBondContact O-N 3.32Å; F87-S91 WeakPolarHBondContact CD2-OG 3.11Å; F87-S91 VanDerWaalsContact CE2-OG 3.23Å; F87-S91 WeakPolarHBondContact CE2-OG 3.46Å; F87-S91 VanDerWaalsContact O-CB 3.24Å; F87-S91 WeakPolarHBondContact O-CB 3.48Å; F87-S91 PolarHBondContact O-N 3.04Å; F87-S91 PolarHBondContact O-OG 2.68Å; F87-Y115 AromaticContact CZ-CE2 3.92Å; F87-Y115 HydrophobicContact CZ-CE2 3.92Å
88L67.7Low63.9Low8 Ų872.4 Ų72.44%0.04240%0.397CS..Hα-helixtrans-69.3-44.7-178.3-166.7123.9000111.3V75 H78 K79 C85 R86 C90 S91 H92V75-L88 HydrophobicContact CG1-CD1 4.12Å; H78-L88 HydrophobicContact CB-CD1 3.55Å; H78-L88 VanDerWaalsContact CG-CD1 3.46Å; H78-L88 WeakPolarHBondContact ND1-CD1 3.39Å; K79-L88 HydrophobicContact CB-CD2 4.04Å; K79-L88 HydrophobicContact CG-CD2 4.27Å; C85-L88 HydrophobicContact CB-CB 3.85Å; C85-L88 PolarHBondContact O-N 2.92Å; R86-L88 PolarHBondContact O-N 3.39Å; L88-C90 VanDerWaalsContact C-N 3.27Å; L88-C90 PolarHBondContact O-N 3.19Å; L88-S91 PolarHBondContact O-N 3.38Å; L88-H92 CarbonylContact O-C 3.54Å; L88-H92 VanDerWaalsContact O-C 3.27Å; L88-H92 WeakPolarHBondContact O-CA 3.43Å; L88-H92 WeakPolarHBondContact O-CB 3.34Å; L88-H92 PolarHBondContact O-N 3.28Å
89V65.3Low61.3Low79 Ų7979.2 Ų79.248%0.47943%0.433SS..Hα-helixtrans-59.9-37.5176.1171.70000111.7C85 P93C85-V89 WeakPolarHBondContact O-CG2 3.38Å; C85-V89 PolarHBondContact O-N 3.47Å; V89-P93 WeakPolarHBondContact O-CA 3.36Å
90C52.4Low58.8Low74 Ų7485.2 Ų85.250%0.546%0.456SS..Hα-helixtrans-80.8-41.4179.7-67.90000113.5R86 F87 L88R86-C90 WeakPolarHBondContact O-CB 3.13Å; R86-C90 PolarHBondContact O-N 2.82Å; R86-C90 PolarHBondContact O-SG 3.3Å; F87-C90 PolarHBondContact O-N 3.32Å; L88-C90 VanDerWaalsContact C-N 3.27Å; L88-C90 PolarHBondContact O-N 3.19Å
91S53.5Low56.3Low10 Ų1088.4 Ų88.47%0.0747%0.474CS..Hα-helixtrans-91-23-172.2-41.40000112.8F87 L88 S118F87-S91 WeakPolarHBondContact CD2-OG 3.11Å; F87-S91 VanDerWaalsContact CE2-OG 3.23Å; F87-S91 WeakPolarHBondContact CE2-OG 3.46Å; F87-S91 VanDerWaalsContact O-CB 3.24Å; F87-S91 WeakPolarHBondContact O-CB 3.48Å; F87-S91 PolarHBondContact O-N 3.04Å; F87-S91 PolarHBondContact O-OG 2.68Å; L88-S91 PolarHBondContact O-N 3.38Å; S91-S118 WeakPolarHBondContact CA-OG 3.45Å; S91-S118 WeakPolarHBondContact O-CB 3.45Å; S91-S118 PolarHBondContact O-OG 3.08Å
92H63.4Low53.5Low23 Ų2391 Ų9111%0.10649%0.491CS..SBendtrans-133.862.4177.7-56.185.5000109.5R44 V75 L88 N94 Y115R44-H92 PolarHBondContact O-CE1 3.45Å; V75-H92 HydrophobicContact CG1-CB 4.07Å; L88-H92 CarbonylContact O-C 3.54Å; L88-H92 VanDerWaalsContact O-C 3.27Å; L88-H92 WeakPolarHBondContact O-CA 3.43Å; L88-H92 WeakPolarHBondContact O-CB 3.34Å; L88-H92 PolarHBondContact O-N 3.28Å; H92-N94 PolarHBondContact O-N 3.19Å; H92-Y115 AromaticContact CE1-CD2 3.61Å; H92-Y115 AromaticContact NE2-CD2 3.78Å
93P54.4Low51.4Low60 Ų6096.1 Ų96.139%0.3952%0.523SS..  trans-56.8139.7177.925.3-33.1000109.2V89 S95V89-P93 WeakPolarHBondContact O-CA 3.36Å; P93-S95 PolarHBondContact O-N 3.41Å
94N53.8Low49.7Very low142 Ų142100.3 Ų100.376%0.75954%0.54SS*.SBendtrans-6086.3176.1-90.9-23.3000109.9K79 H92K79-N94 PolarHBondContact NZ-OD1 3.24Å; H92-N94 PolarHBondContact O-N 3.19Å
95S42.5Very low48.2Very low81 Ų81103.1 Ų103.157%0.56655%0.546SS*.  trans-137.4131167.2-165.40000107.2P93P93-S95 PolarHBondContact O-N 3.41Å
96M37.5Very low47Very low158 Ų158107.1 Ų107.178%0.77856%0.561SS**  trans80.879.5-171.3-47.8-60.7127.700114.6P98M96-P98 WeakPolarHBondContact O-CD 3.14Å
97K30.5Very low46.4Very low188 Ų188105.8 Ų105.882%0.81756%0.563SS**  trans-67.4115.6130.9-76.1-171.7179.2-178.40105.5N99K97-N99 PolarHBondContact O-N 3.46Å
98P32.3Very low45.6Very low108 Ų108108.9 Ų108.970%0.70158%0.578SS**  trans-68103165.87.35.6000106.3M96 Y100M96-P98 WeakPolarHBondContact O-CD 3.14Å; P98-Y100 PolarHBondContact O-N 3.26Å
99N33.4Very low45Very low142 Ų142113.9 Ų113.976%0.75961%0.608SS**  trans-75.869.3162.6-88.6-6.1000108.3K97K97-N99 PolarHBondContact O-N 3.46Å
100Y30.7Very low44.5Very low193 Ų193112.7 Ų112.776%0.75761%0.607SS**  trans-138.1117.7158.4-76-78000108.3P98 T102P98-Y100 PolarHBondContact O-N 3.26Å; Y100-T102 PolarHBondContact O-N 3.15Å
101I37.1Very low44.8Very low181 Ų181110.9 Ų110.993%0.92859%0.591SS**  trans-66.791.1163.8-61.9173.7000106
102T28.1Very low45Very low113 Ų113112.8 Ų112.869%0.69360%0.601SS**  trans-148.9141.5160.414.70000109.1Y100 L104Y100-T102 PolarHBondContact O-N 3.15Å; T102-L104 PolarHBondContact O-N 2.9Å
103P36.9Very low44.6Very low120 Ų120116.2 Ų116.278%0.77962%0.617SS**  trans-71118.5-168.9-10.426.4000111.9I105P103-I105 PolarHBondContact O-N 3.27Å
104L43.3Very low44.7Very low175 Ų175117.3 Ų117.392%0.91662%0.618SS**  trans28.283.2146.6-61.8167.9000116.9T102T102-L104 PolarHBondContact O-N 2.9Å
105I41.3Very low44.9Very low161 Ų161110.9 Ų110.983%0.82658%0.583SS**  trans-116.6110.2143.2-57.4-179.2000106P103 D107P103-I105 PolarHBondContact O-N 3.27Å; I105-D107 PolarHBondContact O-N 3.39Å
106Y47.9Very low45.7Very low87 Ų87112.2 Ų112.234%0.34158%0.575SS.*  trans-61115.5168.5167.1-105.9000108.5R41 T73 E108 E111R41-Y106 VanDerWaalsContact CZ-CZ 3.44Å; R41-Y106 VanDerWaalsContact CZ-OH 3.31Å; R41-Y106 PolarHBondContact NE-OH 3.44Å; R41-Y106 VanDerWaalsContact NH2-CE1 3.29Å; R41-Y106 PolarHBondContact NH2-OH 3.48Å; R41-Y106 VanDerWaalsContact NH2-OH 3.16Å; T73-Y106 HydrophobicContact CG2-CD2 4.16Å; T73-Y106 HydrophobicContact CG2-CE2 4.27Å; Y106-E108 HydrophobicContact CD1-CB 4.21Å; Y106-E108 HydrophobicContact CE1-CB 3.58Å; Y106-E108 HydrophobicContact CE1-CG 3.93Å; Y106-E108 PolarHBondContact O-N 2.87Å; Y106-E111 WeakPolarHBondContact CE2-OE2 3.47Å; Y106-E111 PolarHBondContact OH-OE2 3.49Å
107D53.5Low46.4Very low96 Ų96106.7 Ų106.751%0.51355%0.55SS.*  trans-92.390.8179.2-169.1-24000110.1I105 V109 A110 E111I105-D107 PolarHBondContact O-N 3.39Å; D107-V109 PolarHBondContact O-N 3.18Å; D107-V109 WeakPolarHBondContact OD1-CB 3.48Å; D107-V109 PolarHBondContact OD1-N 3.23Å; D107-A110 HydrophobicContact CB-CB 4.11Å; D107-A110 PolarHBondContact O-N 3.47Å; D107-A110 PolarHBondContact OD1-N 3.21Å; D107-E111 PolarHBondContact O-N 3.06Å
108E53.2Low47.4Very low88 Ų8899.9 Ų99.941%0.41153%0.526SS..Hα-helixtrans-63-30.9-179-170.4169.9-169.600112.8R41 Y106 D112R41-E108 WeakPolarHBondContact CD-OE1 3.34Å; Y106-E108 HydrophobicContact CD1-CB 4.21Å; Y106-E108 HydrophobicContact CE1-CB 3.58Å; Y106-E108 HydrophobicContact CE1-CG 3.93Å; Y106-E108 PolarHBondContact O-N 2.87Å; E108-D112 WeakPolarHBondContact O-CB 3.16Å; E108-D112 PolarHBondContact O-N 3.43Å
109V53.5Low48.2Very low113 Ų11396.7 Ų96.769%0.68551%0.505SS*.Hα-helixtrans-71.3-42.8-177.7-1770000110D107 D112 M113D107-V109 PolarHBondContact O-N 3.18Å; D107-V109 WeakPolarHBondContact OD1-CB 3.48Å; D107-V109 PolarHBondContact OD1-N 3.23Å; V109-D112 PolarHBondContact O-N 3.33Å; V109-M113 WeakPolarHBondContact O-CB 3.06Å; V109-M113 PolarHBondContact O-N 3.43Å
110A54.3Low48.9Very low54 Ų5492.3 Ų92.345%0.44649%0.493SS..Hα-helixtrans-63.1-41.3175.900000112.3D107 Q114D107-A110 HydrophobicContact CB-CB 4.11Å; D107-A110 PolarHBondContact O-N 3.47Å; D107-A110 PolarHBondContact OD1-N 3.21Å; A110-Q114 WeakPolarHBondContact O-CB 3.28Å; A110-Q114 PolarHBondContact O-N 2.85Å; A110-Q114 VanDerWaalsContact O-N 3.08Å
111E59Low49.8Very low35 Ų3588.4 Ų88.416%0.16448%0.482CS..Hα-helixtrans-69-37.4178.1-161.3-160.2132.800112R44 V75 Y106 D107 Q114 Y115R44-E111 IonicContact CZ-OE1 3.68Å; R44-E111 VanDerWaalsContact NH2-C 3.33Å; R44-E111 VanDerWaalsContact NH2-CB 3.3Å; R44-E111 IonicContact NH2-OE1 3.83Å; R44-E111 PolarHBondContact NH2-OE1 3.03Å; R44-E111 IonicContact NH2-OE2 2.88Å; V75-E111 WeakPolarHBondContact CG2-OE1 3.18Å; Y106-E111 WeakPolarHBondContact CE2-OE2 3.47Å; Y106-E111 PolarHBondContact OH-OE2 3.49Å; D107-E111 PolarHBondContact O-N 3.06Å; E111-Q114 PolarHBondContact O-N 3.05Å; E111-Y115 PolarHBondContact O-N 3.28Å
112D57.8Low50.3Low51 Ų5182.1 Ų82.127%0.27345%0.452SS..Hα-helixtrans-62.3-47.3174.8-165.962.2000112.4R44 E108 V109 Q114 Y115 R116R44-D112 WeakPolarHBondContact CD-OD1 3.03Å; R44-D112 VanDerWaalsContact CZ-CA 3.44Å; R44-D112 IonicContact CZ-OD1 2.75Å; R44-D112 IonicContact NE-OD1 3.76Å; R44-D112 IonicContact NH1-OD1 3.98Å; R44-D112 PolarHBondContact NH1-OD1 2.78Å; E108-D112 WeakPolarHBondContact O-CB 3.16Å; E108-D112 PolarHBondContact O-N 3.43Å; V109-D112 PolarHBondContact O-N 3.33Å; D112-Q114 VanDerWaalsContact C-N 3.34Å; D112-Q114 PolarHBondContact O-N 3.14Å; D112-Y115 PolarHBondContact O-N 3.39Å; D112-R116 VanDerWaalsContact O-CG 3.31Å; D112-R116 WeakPolarHBondContact O-CG 3.4Å; D112-R116 PolarHBondContact O-N 3.48Å; D112-R116 WeakPolarHBondContact OD2-CD 3.24Å; D112-R116 IonicContact OD2-NH1 3.44Å; D112-R116 PolarHBondContact OD2-NH1 3.34Å
113M55.3Low51.1Low94 Ų9482.2 Ų82.246%0.46345%0.452SS..Hα-helixtrans-61.1-45.7179-163.7176.8-15500110.8V109 Y115 R116 V117 L127V109-M113 WeakPolarHBondContact O-CB 3.06Å; V109-M113 PolarHBondContact O-N 3.43Å; M113-Y115 VanDerWaalsContact C-N 3.34Å; M113-Y115 PolarHBondContact O-N 2.71Å; M113-R116 PolarHBondContact O-N 3.05Å; M113-V117 VanDerWaalsContact O-CG2 3.28Å; M113-V117 WeakPolarHBondContact O-CG2 3.3Å; M113-V117 PolarHBondContact O-N 3.26Å; M113-V117 VanDerWaalsContact O-N 3.09Å; M113-L127 HydrophobicContact CE-CD2 4.07Å; M113-L127 HydrophobicContact SD-CD2 4.18Å
114Q56.1Low51.3Low84 Ų8478.8 Ų78.839%0.39343%0.427SS..Hα-helixtrans-61.2-40.8178.1-176.26227.100112.5A110 E111 D112 S118A110-Q114 WeakPolarHBondContact O-CB 3.28Å; A110-Q114 PolarHBondContact O-N 2.85Å; A110-Q114 VanDerWaalsContact O-N 3.08Å; E111-Q114 PolarHBondContact O-N 3.05Å; D112-Q114 VanDerWaalsContact C-N 3.34Å; D112-Q114 PolarHBondContact O-N 3.14Å; Q114-S118 WeakPolarHBondContact O-CB 3.43Å; Q114-S118 PolarHBondContact O-N 3.06Å; Q114-S118 PolarHBondContact O-OG 3.09Å
115Y58.7Low51.4Low6 Ų678.8 Ų78.82%0.02442%0.422CS..Hα-helixtrans-63.4-48.5176.7179.2-100.8000111.7F21 R24 R44 F87 H92 E111 D112 M113 V117 S118 T119F21-Y115 HydrophobicContact CD2-CE1 4.15Å; F21-Y115 HydrophobicContact CE2-CE1 4.49Å; R24-Y115 PolarHBondContact NH2-OH 2.57Å; R24-Y115 VanDerWaalsContact NH2-OH 3.09Å; R44-Y115 HydrophobicContact CB-CD1 4.3Å; R44-Y115 HydrophobicContact CB-CD2 4.14Å; R44-Y115 HydrophobicContact CB-CE1 4.33Å; R44-Y115 HydrophobicContact CB-CE2 4.19Å; R44-Y115 HydrophobicContact CB-CG 4.19Å; R44-Y115 HydrophobicContact CG-CD1 3.59Å; R44-Y115 HydrophobicContact CG-CD2 4.32Å; R44-Y115 HydrophobicContact CG-CE1 3.69Å; R44-Y115 HydrophobicContact CG-CE2 4.42Å; R44-Y115 HydrophobicContact CG-CG 3.91Å; R44-Y115 WeakPolarHBondContact O-CE2 3.44Å; F87-Y115 AromaticContact CZ-CE2 3.92Å; F87-Y115 HydrophobicContact CZ-CE2 3.92Å; H92-Y115 AromaticContact CE1-CD2 3.61Å; H92-Y115 AromaticContact NE2-CD2 3.78Å; E111-Y115 PolarHBondContact O-N 3.28Å; D112-Y115 PolarHBondContact O-N 3.39Å; M113-Y115 VanDerWaalsContact C-N 3.34Å; M113-Y115 PolarHBondContact O-N 2.71Å; Y115-V117 VanDerWaalsContact C-N 3.28Å; Y115-V117 PolarHBondContact O-N 2.84Å; Y115-S118 PolarHBondContact O-N 2.77Å; Y115-S118 PolarHBondContact O-OG 2.84Å; Y115-T119 HydrophobicContact CD1-CG2 4.25Å; Y115-T119 HydrophobicContact CD2-CG2 4.04Å; Y115-T119 HydrophobicContact CE1-CG2 3.85Å; Y115-T119 HydrophobicContact CE2-CG2 3.59Å; Y115-T119 HydrophobicContact CG-CG2 4.36Å; Y115-T119 WeakPolarHBondContact O-CG2 3.37Å; Y115-T119 PolarHBondContact O-N 3.5Å; Y115-T119 PolarHBondContact O-OG1 2.93Å
116R59.6Low51.5Low110 Ų11075.9 Ų75.942%0.41541%0.413SS..Hα-helixtrans-66-31.3-176.5-69169.263.8-175.5-1.3113D112 M113 T119 G120 E121 V122D112-R116 VanDerWaalsContact O-CG 3.31Å; D112-R116 WeakPolarHBondContact O-CG 3.4Å; D112-R116 PolarHBondContact O-N 3.48Å; D112-R116 WeakPolarHBondContact OD2-CD 3.24Å; D112-R116 IonicContact OD2-NH1 3.44Å; D112-R116 PolarHBondContact OD2-NH1 3.34Å; M113-R116 PolarHBondContact O-N 3.05Å; R116-T119 PolarHBondContact O-OG1 3.3Å; R116-G120 PolarHBondContact O-N 3.38Å; R116-E121 PolarHBondContact O-N 3.05Å; R116-E121 VanDerWaalsContact O-N 3.15Å; R116-V122 HydrophobicContact CB-CB 4.42Å; R116-V122 HydrophobicContact CB-CG2 3.98Å; R116-V122 PolarHBondContact O-N 2.53Å; R116-V122 VanDerWaalsContact O-N 3.11Å
117V51.6Low51.9Low41 Ų4173.2 Ų73.225%0.24840%0.404CS..Hα-helixtrans-71.6-44.9172.1173.80000111.1M113 Y115 T119 G120 D124 L127M113-V117 VanDerWaalsContact O-CG2 3.28Å; M113-V117 WeakPolarHBondContact O-CG2 3.3Å; M113-V117 PolarHBondContact O-N 3.26Å; M113-V117 VanDerWaalsContact O-N 3.09Å; Y115-V117 VanDerWaalsContact C-N 3.28Å; Y115-V117 PolarHBondContact O-N 2.84Å; V117-T119 PolarHBondContact O-N 3.41Å; V117-G120 PolarHBondContact O-N 3.35Å; V117-D124 HydrophobicContact CG1-CB 4.11Å; V117-D124 HydrophobicContact CG2-CB 4.08Å; V117-L127 HydrophobicContact CG2-CD1 4.39Å
118S51.3Low51.8Low45 Ų4571.1 Ų71.132%0.31539%0.389SS..Hα-helixtrans-70.9-28.8-178.170.80000113.5S91 Q114 Y115S91-S118 WeakPolarHBondContact CA-OG 3.45Å; S91-S118 WeakPolarHBondContact O-CB 3.45Å; S91-S118 PolarHBondContact O-OG 3.08Å; Q114-S118 WeakPolarHBondContact O-CB 3.43Å; Q114-S118 PolarHBondContact O-N 3.06Å; Q114-S118 PolarHBondContact O-OG 3.09Å; Y115-S118 PolarHBondContact O-N 2.77Å; Y115-S118 PolarHBondContact O-OG 2.84Å
119T50.3Low52.1Low41 Ų4167.1 Ų67.125%0.25237%0.371SS..THydrogen-bonded Turntrans-85.3-8.8175.259.60000113.7Y115 R116 V117 E121Y115-T119 HydrophobicContact CD1-CG2 4.25Å; Y115-T119 HydrophobicContact CD2-CG2 4.04Å; Y115-T119 HydrophobicContact CE1-CG2 3.85Å; Y115-T119 HydrophobicContact CE2-CG2 3.59Å; Y115-T119 HydrophobicContact CG-CG2 4.36Å; Y115-T119 WeakPolarHBondContact O-CG2 3.37Å; Y115-T119 PolarHBondContact O-N 3.5Å; Y115-T119 PolarHBondContact O-OG1 2.93Å; R116-T119 PolarHBondContact O-OG1 3.3Å; V117-T119 PolarHBondContact O-N 3.41Å; T119-E121 PolarHBondContact O-N 3.44Å
120G48.2Very low52.7Low50 Ų5067.6 Ų67.652%0.51536%0.36SS..THydrogen-bonded Turntrans69.415.6-178.400000114R116 V117R116-G120 PolarHBondContact O-N 3.38Å; V117-G120 PolarHBondContact O-N 3.35Å
121E49.8Very low53.7Low112 Ų11266 Ų6652%0.52334%0.344SS..SBendtrans-68.5-25170.5-75.5-178.8167.600111.7R116 T119R116-E121 PolarHBondContact O-N 3.05Å; R116-E121 VanDerWaalsContact O-N 3.15Å; T119-E121 PolarHBondContact O-N 3.44Å
122V46.2Very low54.3Low49 Ų4967.9 Ų67.930%0.29736%0.359SS..SBendtrans-120.4120.6166.21780000107R116 D124R116-V122 HydrophobicContact CB-CB 4.42Å; R116-V122 HydrophobicContact CB-CG2 3.98Å; R116-V122 PolarHBondContact O-N 2.53Å; R116-V122 VanDerWaalsContact O-N 3.11Å; V122-D124 PolarHBondContact O-N 2.87Å
123V45.6Very low55.1Low115 Ų11572.3 Ų72.370%0.69738%0.378SS*.  trans-70.1112.4160.5-177.90000105E125V123-E125 VanDerWaalsContact C-N 3.35Å; V123-E125 HydrophobicContact CG1-CG 4.45Å; V123-E125 PolarHBondContact O-N 3.16Å
124D40.8Very low56.4Low47 Ų4768.4 Ų68.425%0.25136%0.359SS..  trans-68.395178.4178.126.8000110.2V117 V122 T126 L127V117-D124 HydrophobicContact CG1-CB 4.11Å; V117-D124 HydrophobicContact CG2-CB 4.08Å; V122-D124 PolarHBondContact O-N 2.87Å; D124-T126 VanDerWaalsContact C-N 3.28Å; D124-T126 WeakPolarHBondContact OD1-CA 3.34Å; D124-T126 PolarHBondContact OD1-N 3.22Å; D124-L127 VanDerWaalsContact CG-CG 3.5Å; D124-L127 WeakPolarHBondContact OD1-CG 3.46Å; D124-L127 PolarHBondContact OD1-N 2.89Å; D124-L127 WeakPolarHBondContact OD2-CB 3.49Å; D124-L127 WeakPolarHBondContact OD2-CD1 3.44Å; D124-L127 WeakPolarHBondContact OD2-CG 3.3Å; D124-L127 PolarHBondContact OD2-N 3.39Å
125E45.7Very low57.5Low175 Ų17567.9 Ų67.982%0.81836%0.355SS*.SBendtrans-86.74.3168.3-64.9-174.5169.300111.8V123V123-E125 VanDerWaalsContact C-N 3.35Å; V123-E125 HydrophobicContact CG1-CG 4.45Å; V123-E125 PolarHBondContact O-N 3.16Å
126T44.2Very low58.5Low101 Ų10169.2 Ų69.262%0.6237%0.365SS*.  trans-142.3-1.7-160.753.90000119.6D124 Y128D124-T126 VanDerWaalsContact C-N 3.28Å; D124-T126 WeakPolarHBondContact OD1-CA 3.34Å; D124-T126 PolarHBondContact OD1-N 3.22Å; T126-Y128 PolarHBondContact O-N 2.97Å
127L55.1Low59.7Low30 Ų3064.6 Ų64.616%0.15735%0.348CS..SBendtrans-74.9-1.5174.6-65.8175.9000113.9M113 V117 D124M113-L127 HydrophobicContact CE-CD2 4.07Å; M113-L127 HydrophobicContact SD-CD2 4.18Å; V117-L127 HydrophobicContact CG2-CD1 4.39Å; D124-L127 VanDerWaalsContact CG-CG 3.5Å; D124-L127 WeakPolarHBondContact OD1-CG 3.46Å; D124-L127 PolarHBondContact OD1-N 2.89Å; D124-L127 WeakPolarHBondContact OD2-CB 3.49Å; D124-L127 WeakPolarHBondContact OD2-CD1 3.44Å; D124-L127 WeakPolarHBondContact OD2-CG 3.3Å; D124-L127 PolarHBondContact OD2-N 3.39Å
128Y51.3Low61.1Low53 Ų5366.3 Ų66.321%0.20835%0.354CS..  trans-124.9133.3178.4-67.7-79.9000111.5T126 R130 C176 F202T126-Y128 PolarHBondContact O-N 2.97Å; Y128-R130 HydrophobicContact CD1-CG 4.47Å; Y128-R130 HydrophobicContact CE1-CG 4.25Å; Y128-C176 VanDerWaalsContact CD1-O 3.22Å; Y128-C176 WeakPolarHBondContact CD1-O 3.08Å; Y128-C176 WeakPolarHBondContact CD1-SG 3.4Å; Y128-C176 WeakPolarHBondContact CE1-O 3.38Å; Y128-F202 HydrophobicContact CD1-CB 4Å; Y128-F202 HydrophobicContact CD1-CD2 4.27Å; Y128-F202 HydrophobicContact CD1-CG 4.17Å; Y128-F202 HydrophobicContact CD2-CB 4.44Å; Y128-F202 AromaticContact CD2-CD2 3.22Å; Y128-F202 HydrophobicContact CD2-CD2 3.22Å; Y128-F202 AromaticContact CD2-CE2 3.44Å; Y128-F202 HydrophobicContact CD2-CE2 3.44Å; Y128-F202 VanDerWaalsContact CD2-CE2 3.44Å; Y128-F202 AromaticContact CD2-CG 3.87Å; Y128-F202 HydrophobicContact CD2-CG 3.87Å; Y128-F202 HydrophobicContact CD2-CZ 4.23Å; Y128-F202 HydrophobicContact CE1-CB 4.25Å; Y128-F202 HydrophobicContact CE1-CD1 4.45Å; Y128-F202 HydrophobicContact CE1-CD2 4.47Å; Y128-F202 HydrophobicContact CE1-CG 4.15Å; Y128-F202 HydrophobicContact CE2-CD1 4.14Å; Y128-F202 AromaticContact CE2-CD2 3.5Å; Y128-F202 HydrophobicContact CE2-CD2 3.5Å; Y128-F202 HydrophobicContact CE2-CE1 4.08Å; Y128-F202 AromaticContact CE2-CE2 3.42Å; Y128-F202 HydrophobicContact CE2-CE2 3.42Å; Y128-F202 VanDerWaalsContact CE2-CE2 3.42Å; Y128-F202 AromaticContact CE2-CG 3.87Å; Y128-F202 HydrophobicContact CE2-CG 3.87Å; Y128-F202 AromaticContact CE2-CZ 3.73Å; Y128-F202 HydrophobicContact CE2-CZ 3.73Å; Y128-F202 HydrophobicContact CG-CB 4.07Å; Y128-F202 AromaticContact CG-CD2 3.65Å; Y128-F202 HydrophobicContact CG-CD2 3.65Å; Y128-F202 HydrophobicContact CG-CE2 4.32Å; Y128-F202 HydrophobicContact CG-CG 4Å; Y128-F202 AromaticContact CZ-CG 4Å
129P59Low62.4Low3 Ų367.1 Ų67.12%0.01936%0.356CS..SBendcis-77.5145.9-1.619.2-6.1000110.8I131 P132 K135 F175 C176 V209P129-I131 PolarHBondContact O-N 3.1Å; P129-P132 VanDerWaalsContact O-CD 3.26Å; P129-P132 WeakPolarHBondContact O-CD 3.39Å; P129-P132 WeakPolarHBondContact O-CG 3.4Å; P129-K135 HydrophobicContact CG-CD 3.96Å; P129-K135 HydrophobicContact CG-CG 3.38Å; P129-F175 HydrophobicContact CB-CD2 3.29Å; P129-F175 HydrophobicContact CB-CE2 3.54Å; P129-F175 HydrophobicContact CB-CG 4.24Å; P129-F175 VanDerWaalsContact CB-O 3.27Å; P129-F175 WeakPolarHBondContact CB-O 3.49Å; P129-F175 HydrophobicContact CG-CD2 3.62Å; P129-F175 HydrophobicContact CG-CE2 3.67Å; P129-C176 HydrophobicContact CB-CB 4.33Å; P129-V209 VanDerWaalsContact CD-O 3.23Å; P129-V209 WeakPolarHBondContact CD-O 3.45Å; P129-V209 WeakPolarHBondContact CG-O 3.05Å
130R66.8Low64.3Low124 Ų12465.1 Ų65.147%0.46834%0.344SS..SBendtrans-55-26.6177.2-70.5-78.7-179.3-172.1-4.8112.8Y128 P132 F175 C176Y128-R130 HydrophobicContact CD1-CG 4.47Å; Y128-R130 HydrophobicContact CE1-CG 4.25Å; R130-P132 WeakPolarHBondContact O-CD 3.22Å; R130-F175 PolarHBondContact N-O 3.38Å; R130-C176 VanDerWaalsContact CB-O 3.28Å; R130-C176 WeakPolarHBondContact CB-O 3.45Å; R130-C176 WeakPolarHBondContact CG-O 3.42Å; R130-C176 PolarHBondContact N-O 2.66Å
131I75.1Confident66.2Low19 Ų1964.4 Ų64.410%0.09733%0.328CS..SBendtrans-12082.5174.2-56.884.1000109.2P129 H133 M134 Y164 C174 F175P129-I131 PolarHBondContact O-N 3.1Å; I131-H133 VanDerWaalsContact C-N 3.28Å; I131-H133 WeakPolarHBondContact CG2-CE1 3.43Å; I131-H133 WeakPolarHBondContact CG2-NE2 3.26Å; I131-H133 PolarHBondContact O-N 3.41Å; I131-M134 HydrophobicContact CB-CB 4.36Å; I131-M134 HydrophobicContact CB-CG 4.39Å; I131-M134 HydrophobicContact CG2-CB 3.8Å; I131-M134 HydrophobicContact CG2-CG 3.38Å; I131-M134 PolarHBondContact O-N 3.23Å; I131-Y164 HydrophobicContact CG1-CE1 4.41Å; I131-Y164 HydrophobicContact CG2-CE1 4.4Å; I131-C174 WeakPolarHBondContact CD1-O 3.41Å; I131-F175 WeakPolarHBondContact CD1-O 3.44Å; I131-F175 PolarHBondContact N-O 3.07Å
132P71.6Confident68Low75 Ų7563.5 Ų63.549%0.48733%0.327SS..G310 helixtrans-61.2-29.1-174-25.834.4000115.5P129 R130 M134 K135P129-P132 VanDerWaalsContact O-CD 3.26Å; P129-P132 WeakPolarHBondContact O-CD 3.39Å; P129-P132 WeakPolarHBondContact O-CG 3.4Å; R130-P132 WeakPolarHBondContact O-CD 3.22Å; P132-M134 PolarHBondContact O-N 2.98Å; P132-K135 WeakPolarHBondContact O-CB 3.42Å; P132-K135 WeakPolarHBondContact O-CD 3.31Å; P132-K135 WeakPolarHBondContact O-CG 3.39Å; P132-K135 PolarHBondContact O-N 3.44Å
133H75.9Confident69.8Low145 Ų14563 Ų6367%0.67133%0.325SS*.G310 helixtrans-74.8-10.5179.161.1-89.5000113I131I131-H133 VanDerWaalsContact C-N 3.28Å; I131-H133 WeakPolarHBondContact CG2-CE1 3.43Å; I131-H133 WeakPolarHBondContact CG2-NE2 3.26Å; I131-H133 PolarHBondContact O-N 3.41Å
134M82.6Confident72.1Confident12 Ų1258.1 Ų58.16%0.05929%0.294CS..G310 helixtrans-103.619.8177.6-59.7-55.8-87.700112.4I131 P132 S136 V139 R140 T143 Y164 F175I131-M134 HydrophobicContact CB-CB 4.36Å; I131-M134 HydrophobicContact CB-CG 4.39Å; I131-M134 HydrophobicContact CG2-CB 3.8Å; I131-M134 HydrophobicContact CG2-CG 3.38Å; I131-M134 PolarHBondContact O-N 3.23Å; P132-M134 PolarHBondContact O-N 2.98Å; M134-S136 VanDerWaalsContact C-N 3.29Å; M134-S136 PolarHBondContact O-N 2.83Å; M134-V139 HydrophobicContact CE-CG1 4.44Å; M134-V139 HydrophobicContact SD-CG1 3.81Å; M134-R140 HydrophobicContact CB-CG 4.22Å; M134-R140 HydrophobicContact CE-CG 4.25Å; M134-R140 WeakPolarHBondContact O-CD 3.41Å; M134-R140 WeakPolarHBondContact O-CG 3.45Å; M134-R140 PolarHBondContact O-NH1 3.21Å; M134-T143 HydrophobicContact CE-CG2 3.51Å; M134-Y164 HydrophobicContact CB-CD1 4.07Å; M134-Y164 HydrophobicContact CB-CE1 4.29Å; M134-Y164 HydrophobicContact CE-CD1 3.74Å; M134-Y164 HydrophobicContact CE-CD2 3.64Å; M134-Y164 HydrophobicContact CE-CE1 4.47Å; M134-Y164 HydrophobicContact CE-CE2 4.39Å; M134-Y164 HydrophobicContact CE-CG 3.26Å; M134-Y164 HydrophobicContact CG-CD1 3.94Å; M134-Y164 HydrophobicContact CG-CE1 3.98Å; M134-Y164 HydrophobicContact CG-CG 4.38Å; M134-F175 HydrophobicContact CB-CB 3.62Å; M134-F175 WeakPolarHBondContact O-CB 3.34Å; M134-F175 WeakPolarHBondContact O-CG 3.42Å
135K78.6Confident74.4Confident73 Ų7361.3 Ų61.332%0.31732%0.32SS..  trans-61-33.1174.7-82.3174.7176.9-169.70113.6P129 P132 R140 F175 G210 N211 V212P129-K135 HydrophobicContact CG-CD 3.96Å; P129-K135 HydrophobicContact CG-CG 3.38Å; P132-K135 WeakPolarHBondContact O-CB 3.42Å; P132-K135 WeakPolarHBondContact O-CD 3.31Å; P132-K135 WeakPolarHBondContact O-CG 3.39Å; P132-K135 PolarHBondContact O-N 3.44Å; K135-R140 PolarHBondContact O-NH1 2.95Å; K135-F175 HydrophobicContact CG-CD2 4.4Å; K135-F175 HydrophobicContact CG-CE2 4.37Å; K135-G210 WeakPolarHBondContact CB-O 3.33Å; K135-G210 WeakPolarHBondContact CD-O 3.45Å; K135-G210 VanDerWaalsContact CG-O 3.31Å; K135-G210 WeakPolarHBondContact CG-O 3.47Å; K135-N211 PolarHBondContact O-OD1 3.1Å; K135-N211 VanDerWaalsContact O-OD1 3.13Å; K135-V212 PolarHBondContact O-N 2.88Å
136S79.5Confident76.5Confident34 Ų3456.7 Ų56.724%0.23831%0.307CS..BIsolated β-bridgetrans-80.4124.5179.7169.70000111.5M134 Q138 V139 R140M134-S136 VanDerWaalsContact C-N 3.29Å; M134-S136 PolarHBondContact O-N 2.83Å; S136-Q138 VanDerWaalsContact C-N 3.29Å; S136-Q138 PolarHBondContact O-N 2.93Å; S136-Q138 PolarHBondContact OG-N 3.02Å; S136-V139 PolarHBondContact O-N 3.38Å; S136-V139 PolarHBondContact OG-N 3.26Å; S136-R140 WeakPolarHBondContact O-CG 3.38Å; S136-R140 PolarHBondContact O-N 3.35Å
137E84.5Confident78.8Confident12 Ų1253.3 Ų53.36%0.05628%0.283CS..Hα-helixtrans-60-39.5175.1-163.4-173.514600111.9V139 R140 L141 A159 V212 P213 L214E137-V139 PolarHBondContact O-N 3.45Å; E137-R140 WeakPolarHBondContact O-CB 3.23Å; E137-R140 PolarHBondContact O-N 3.49Å; E137-L141 WeakPolarHBondContact O-CB 3.35Å; E137-L141 PolarHBondContact O-N 2.75Å; E137-A159 HydrophobicContact CG-CB 4.19Å; E137-V212 WeakPolarHBondContact CB-O 3.4Å; E137-V212 PolarHBondContact N-O 3Å; E137-P213 WeakPolarHBondContact OE2-CA 3.39Å; E137-L214 HydrophobicContact CB-CB 4.24Å; E137-L214 HydrophobicContact CB-CD1 4.16Å; E137-L214 HydrophobicContact CB-CG 4.36Å; E137-L214 HydrophobicContact CG-CB 4.29Å; E137-L214 HydrophobicContact CG-CD1 3.89Å; E137-L214 HydrophobicContact CG-CG 4.49Å; E137-L214 PolarHBondContact OE2-N 3.13Å
138Q80.6Confident80.4Confident78 Ų7853.5 Ų53.536%0.36429%0.286SS..Hα-helixtrans-60.2-46174.9-177.663.157.300111.5S136 R140 L141 D142 L214S136-Q138 VanDerWaalsContact C-N 3.29Å; S136-Q138 PolarHBondContact O-N 2.93Å; S136-Q138 PolarHBondContact OG-N 3.02Å; Q138-R140 VanDerWaalsContact C-N 3.27Å; Q138-R140 PolarHBondContact O-N 3.28Å; Q138-L141 WeakPolarHBondContact O-CB 3.47Å; Q138-L141 PolarHBondContact O-N 3.05Å; Q138-D142 PolarHBondContact NE2-OD1 3.42Å; Q138-D142 PolarHBondContact O-N 3.24Å; Q138-L214 HydrophobicContact CB-CD1 4.45Å; Q138-L214 HydrophobicContact CB-CG 4.22Å
139V78.8Confident82Confident61 Ų6156.9 Ų56.937%0.3732%0.317SS..Hα-helixtrans-62.6-37.5178.6172.60000110.9M134 S136 E137M134-V139 HydrophobicContact CE-CG1 4.44Å; M134-V139 HydrophobicContact SD-CG1 3.81Å; S136-V139 PolarHBondContact O-N 3.38Å; S136-V139 PolarHBondContact OG-N 3.26Å; E137-V139 PolarHBondContact O-N 3.45Å
140R90.9Very high83.3Confident0 Ų062.9 Ų62.90%035%0.354CS..Hα-helixtrans-64.1-44.4172.4-65.3-167.5-62.8-90.55.9111.1M134 K135 S136 E137 Q138 D142 T143 F144 A159 N211M134-R140 HydrophobicContact CB-CG 4.22Å; M134-R140 HydrophobicContact CE-CG 4.25Å; M134-R140 WeakPolarHBondContact O-CD 3.41Å; M134-R140 WeakPolarHBondContact O-CG 3.45Å; M134-R140 PolarHBondContact O-NH1 3.21Å; K135-R140 PolarHBondContact O-NH1 2.95Å; S136-R140 WeakPolarHBondContact O-CG 3.38Å; S136-R140 PolarHBondContact O-N 3.35Å; E137-R140 WeakPolarHBondContact O-CB 3.23Å; E137-R140 PolarHBondContact O-N 3.49Å; Q138-R140 VanDerWaalsContact C-N 3.27Å; Q138-R140 PolarHBondContact O-N 3.28Å; R140-D142 VanDerWaalsContact C-N 3.32Å; R140-D142 PolarHBondContact O-N 3.13Å; R140-T143 WeakPolarHBondContact O-CB 3.33Å; R140-T143 PolarHBondContact O-N 3.01Å; R140-T143 PolarHBondContact O-OG1 3.11Å; R140-F144 VanDerWaalsContact O-CD2 3.25Å; R140-F144 WeakPolarHBondContact O-CD2 3.5Å; R140-F144 WeakPolarHBondContact O-CE2 3.37Å; R140-A159 HydrophobicContact CB-CB 4.17Å; R140-A159 PolarHBondContact NE-O 3.2Å; R140-A159 PolarHBondContact NH2-O 3.5Å; R140-N211 PolarHBondContact NH1-OD1 3.25Å; R140-N211 PolarHBondContact NH2-OD1 3.44Å
141L87.9Confident84.3Confident34 Ų3458 Ų5818%0.17834%0.34CS..Hα-helixtrans-60.4-40.7179.2-174.759.2000112.2E137 Q138 T143 F144 P155 R156 A159 L214E137-L141 WeakPolarHBondContact O-CB 3.35Å; E137-L141 PolarHBondContact O-N 2.75Å; Q138-L141 WeakPolarHBondContact O-CB 3.47Å; Q138-L141 PolarHBondContact O-N 3.05Å; L141-T143 PolarHBondContact O-N 3Å; L141-T143 VanDerWaalsContact O-N 3.15Å; L141-F144 WeakPolarHBondContact O-CB 3.33Å; L141-F144 WeakPolarHBondContact O-CD2 3.27Å; L141-F144 PolarHBondContact O-N 3.17Å; L141-P155 HydrophobicContact CD1-CB 3.81Å; L141-R156 HydrophobicContact CD1-CB 4.47Å; L141-A159 HydrophobicContact CB-CB 4.01Å; L141-A159 HydrophobicContact CD1-CB 4.26Å; L141-L214 HydrophobicContact CB-CD1 4.41Å; L141-L214 HydrophobicContact CD2-CD1 3.85Å
142D86.9Confident84.9Confident94 Ų9459.3 Ų59.350%0.50335%0.35SS..Hα-helixtrans-60.8-26.7179.8-64.6-18.1000112.8Q138 R140 F144 S145Q138-D142 PolarHBondContact NE2-OD1 3.42Å; Q138-D142 PolarHBondContact O-N 3.24Å; R140-D142 VanDerWaalsContact C-N 3.32Å; R140-D142 PolarHBondContact O-N 3.13Å; D142-F144 PolarHBondContact O-N 2.94Å; D142-S145 PolarHBondContact O-N 3.01Å
143T85.6Confident85.7Confident39 Ų3956.2 Ų56.224%0.23933%0.33CS..G310 helixtrans-64.4-22.5176.368.30000113.1M134 R140 L141 S145 Y165M134-T143 HydrophobicContact CE-CG2 3.51Å; R140-T143 WeakPolarHBondContact O-CB 3.33Å; R140-T143 PolarHBondContact O-N 3.01Å; R140-T143 PolarHBondContact O-OG1 3.11Å; L141-T143 PolarHBondContact O-N 3Å; L141-T143 VanDerWaalsContact O-N 3.15Å; T143-S145 PolarHBondContact O-N 3.35Å; T143-Y165 WeakPolarHBondContact O-CD1 3.19Å; T143-Y165 PolarHBondContact OG1-N 3.45Å
144F92.4Very high86.3Confident12 Ų1258 Ų585%0.05333%0.33CS..G310 helixtrans-81.910.8-177.7-67.4-89.2000114R140 L141 D142 S146 W147 P155 L158 A159 Y165 V172R140-F144 VanDerWaalsContact O-CD2 3.25Å; R140-F144 WeakPolarHBondContact O-CD2 3.5Å; R140-F144 WeakPolarHBondContact O-CE2 3.37Å; L141-F144 WeakPolarHBondContact O-CB 3.33Å; L141-F144 WeakPolarHBondContact O-CD2 3.27Å; L141-F144 PolarHBondContact O-N 3.17Å; D142-F144 PolarHBondContact O-N 2.94Å; F144-S146 PolarHBondContact O-N 3.44Å; F144-W147 HydrophobicContact CB-CB 4.03Å; F144-W147 HydrophobicContact CD1-CB 4.02Å; F144-W147 AromaticContact CD1-CD2 3.66Å; F144-W147 HydrophobicContact CD1-CD2 3.66Å; F144-W147 AromaticContact CD1-CE3 3.61Å; F144-W147 HydrophobicContact CD1-CE3 3.61Å; F144-W147 AromaticContact CD1-CG 3.87Å; F144-W147 HydrophobicContact CD1-CG 3.87Å; F144-W147 HydrophobicContact CD1-CZ3 4.29Å; F144-W147 HydrophobicContact CE1-CD2 4.06Å; F144-W147 AromaticContact CE1-CE3 3.78Å; F144-W147 HydrophobicContact CE1-CE3 3.78Å; F144-W147 HydrophobicContact CE1-CH2 4.44Å; F144-W147 AromaticContact CE1-CZ3 3.98Å; F144-W147 HydrophobicContact CE1-CZ3 3.98Å; F144-W147 WeakPolarHBondContact O-CB 3.16Å; F144-W147 PolarHBondContact O-N 3.5Å; F144-P155 HydrophobicContact CB-CB 3.61Å; F144-P155 HydrophobicContact CB-CG 3.95Å; F144-P155 HydrophobicContact CD1-CB 3.97Å; F144-P155 HydrophobicContact CD1-CG 4.21Å; F144-P155 HydrophobicContact CD2-CB 4.18Å; F144-P155 HydrophobicContact CG-CB 3.66Å; F144-P155 HydrophobicContact CG-CG 4.23Å; F144-L158 HydrophobicContact CD1-CD1 4.4Å; F144-L158 HydrophobicContact CE1-CB 4.07Å; F144-L158 HydrophobicContact CE1-CD1 3.56Å; F144-L158 HydrophobicContact CE1-CG 4.46Å; F144-L158 HydrophobicContact CE2-CB 4.37Å; F144-L158 HydrophobicContact CZ-CB 3.63Å; F144-L158 HydrophobicContact CZ-CD1 4.02Å; F144-L158 HydrophobicContact CZ-CG 4.46Å; F144-A159 HydrophobicContact CE2-CB 4.44Å; F144-Y165 HydrophobicContact CD1-CG 4.28Å; F144-Y165 HydrophobicContact CE1-CG 4.47Å; F144-V172 HydrophobicContact CE1-CG1 3.87Å; F144-V172 HydrophobicContact CZ-CG1 4.07Å
145S89.5Confident86.6Confident114 Ų11459.3 Ų59.380%0.79734%0.34SS*.G310 helixtrans-52.1-28.6176.855.70000114.6D142 T143D142-S145 PolarHBondContact O-N 3.01Å; T143-S145 PolarHBondContact O-N 3.35Å
146S89.7Confident87Confident77 Ų7761.4 Ų61.454%0.53835%0.345SS..G310 helixtrans-115.124.3176.457.30000113.5F144 Y165F144-S146 PolarHBondContact O-N 3.44Å; S146-Y165 WeakPolarHBondContact O-CE1 3.46Å
147W92.1Very high87.1Confident30 Ų3062.9 Ų62.911%0.11435%0.351CS..  trans-62.3135.6177.5-173.9-114000111.2F144 S149 A151 V153 P155 L158 Y165 D170 V172F144-W147 HydrophobicContact CB-CB 4.03Å; F144-W147 HydrophobicContact CD1-CB 4.02Å; F144-W147 AromaticContact CD1-CD2 3.66Å; F144-W147 HydrophobicContact CD1-CD2 3.66Å; F144-W147 AromaticContact CD1-CE3 3.61Å; F144-W147 HydrophobicContact CD1-CE3 3.61Å; F144-W147 AromaticContact CD1-CG 3.87Å; F144-W147 HydrophobicContact CD1-CG 3.87Å; F144-W147 HydrophobicContact CD1-CZ3 4.29Å; F144-W147 HydrophobicContact CE1-CD2 4.06Å; F144-W147 AromaticContact CE1-CE3 3.78Å; F144-W147 HydrophobicContact CE1-CE3 3.78Å; F144-W147 HydrophobicContact CE1-CH2 4.44Å; F144-W147 AromaticContact CE1-CZ3 3.98Å; F144-W147 HydrophobicContact CE1-CZ3 3.98Å; F144-W147 WeakPolarHBondContact O-CB 3.16Å; F144-W147 PolarHBondContact O-N 3.5Å; W147-S149 PolarHBondContact O-N 3.42Å; W147-A151 HydrophobicContact CZ2-CB 3.68Å; W147-V153 HydrophobicContact CZ2-CG2 3.97Å; W147-V153 PolarHBondContact NE1-O 3.22Å; W147-P155 HydrophobicContact CB-CG 4.3Å; W147-P155 HydrophobicContact CG-CG 4.06Å; W147-L158 HydrophobicContact CH2-CD1 3.94Å; W147-L158 HydrophobicContact CZ2-CD1 3.59Å; W147-Y165 HydrophobicContact CE3-CD1 4.17Å; W147-Y165 AromaticContact CE3-CD2 3.36Å; W147-Y165 HydrophobicContact CE3-CD2 3.36Å; W147-Y165 HydrophobicContact CE3-CE1 4.31Å; W147-Y165 AromaticContact CE3-CE2 3.57Å; W147-Y165 HydrophobicContact CE3-CE2 3.57Å; W147-Y165 AromaticContact CE3-CG 3.72Å; W147-Y165 HydrophobicContact CE3-CG 3.72Å; W147-Y165 AromaticContact CZ3-CD2 3.36Å; W147-Y165 HydrophobicContact CZ3-CD2 3.36Å; W147-Y165 AromaticContact CZ3-CE2 3.61Å; W147-Y165 HydrophobicContact CZ3-CE2 3.61Å; W147-Y165 HydrophobicContact CZ3-CG 4.11Å; W147-D170 VanDerWaalsContact CH2-CA 3.48Å; W147-D170 HydrophobicContact CH2-CB 3.74Å; W147-D170 VanDerWaalsContact CH2-O 3.28Å; W147-D170 WeakPolarHBondContact CH2-O 3.48Å; W147-D170 HydrophobicContact CZ2-CB 4.23Å; W147-D170 HydrophobicContact CZ3-CB 4.29Å; W147-V172 HydrophobicContact CH2-CG1 3.72Å; W147-V172 HydrophobicContact CZ3-CG1 3.67Å
148P88.5Confident87.3Confident35 Ų3562.3 Ų62.323%0.22735%0.348CS..  trans-60.9127.6-178.2-21.231.7000111.7T150 A151 A169P148-T150 PolarHBondContact O-N 3.17Å; P148-T150 VanDerWaalsContact O-N 3.12Å; P148-A151 HydrophobicContact CB-CB 4.4Å; P148-A151 WeakPolarHBondContact O-CB 3.35Å; P148-A151 PolarHBondContact O-N 2.89Å; P148-A169 WeakPolarHBondContact CD-O 3.46Å; P148-A169 WeakPolarHBondContact CG-O 3Å
149S86.2Confident87.6Confident124 Ų12458.6 Ų58.687%0.86733%0.331SS*.THydrogen-bonded Turntrans-64.6-15.8176.157.30000113.7W147W147-S149 PolarHBondContact O-N 3.42Å
150T86.6Confident87.9Confident129 Ų12958.6 Ų58.679%0.79133%0.327SS*.THydrogen-bonded Turntrans-85.5-9.3175.555.80000113.5P148P148-T150 PolarHBondContact O-N 3.17Å; P148-T150 VanDerWaalsContact O-N 3.12Å
151A88.1Confident87.7Confident20 Ų2058.6 Ų58.617%0.16533%0.327CS..  trans-71.4134.9179.300000110.3W147 P148 V153W147-A151 HydrophobicContact CZ2-CB 3.68Å; P148-A151 HydrophobicContact CB-CB 4.4Å; P148-A151 WeakPolarHBondContact O-CB 3.35Å; P148-A151 PolarHBondContact O-N 2.89Å; A151-V153 VanDerWaalsContact C-N 3.32Å; A151-V153 PolarHBondContact O-N 3.16Å
152P85.9Confident87.6Confident48 Ų4857 Ų5731%0.31232%0.319SS..SBendtrans-78.1-14.5-171.729-33.7000114.3W184 E185 N186P152-W184 WeakPolarHBondContact CD-O 3.24Å; P152-W184 VanDerWaalsContact CG-C 3.49Å; P152-W184 HydrophobicContact CG-CB 4.14Å; P152-W184 WeakPolarHBondContact CG-O 3.26Å; P152-E185 VanDerWaalsContact CG-O 3.27Å; P152-E185 WeakPolarHBondContact CG-O 3.44Å; P152-N186 HydrophobicContact CB-CB 4.45Å; P152-N186 VanDerWaalsContact CB-OD1 3.27Å; P152-N186 WeakPolarHBondContact CB-OD1 3.28Å
153V89.2Confident87.9Confident10 Ų1052.5 Ų52.56%0.06130%0.295CS..SBendtrans-103.4144.9-177.8-690000112W147 A151 L158 W184 D188W147-V153 HydrophobicContact CZ2-CG2 3.97Å; W147-V153 PolarHBondContact NE1-O 3.22Å; A151-V153 VanDerWaalsContact C-N 3.32Å; A151-V153 PolarHBondContact O-N 3.16Å; V153-L158 HydrophobicContact CG2-CD1 3.79Å; V153-L158 HydrophobicContact CG2-CD2 4.28Å; V153-L158 HydrophobicContact CG2-CG 4.24Å; V153-W184 HydrophobicContact CB-CE3 4.48Å; V153-W184 HydrophobicContact CG1-CB 4.23Å; V153-W184 HydrophobicContact CG1-CD2 4.28Å; V153-W184 HydrophobicContact CG1-CE3 3.79Å; V153-W184 HydrophobicContact CG1-CG 4.5Å; V153-W184 HydrophobicContact CG2-CB 3.7Å; V153-W184 HydrophobicContact CG2-CD2 3.75Å; V153-W184 HydrophobicContact CG2-CE3 4.09Å; V153-W184 HydrophobicContact CG2-CG 3.57Å; V153-D188 HydrophobicContact CG1-CB 4.08Å
154R88.4Confident88.1Confident183 Ų18352 Ų5269%0.69129%0.288SS*.  trans-82.7139.6-177.1-58.8177.8171.9-169.5-2.4111.2R156 D157 L158R154-R156 VanDerWaalsContact C-N 3.26Å; R154-R156 PolarHBondContact O-N 2.69Å; R154-D157 WeakPolarHBondContact CB-OD2 3.34Å; R154-D157 PolarHBondContact O-N 2.79Å; R154-D157 VanDerWaalsContact O-N 3.14Å; R154-L158 PolarHBondContact O-N 3.43Å
155P89.4Confident88.2Confident39 Ų3952.3 Ų52.325%0.25329%0.289SS..Hα-helixtrans-51.5-38.5173.1-34.639.8000115.4L141 F144 W147 L158 A159L141-P155 HydrophobicContact CD1-CB 3.81Å; F144-P155 HydrophobicContact CB-CB 3.61Å; F144-P155 HydrophobicContact CB-CG 3.95Å; F144-P155 HydrophobicContact CD1-CB 3.97Å; F144-P155 HydrophobicContact CD1-CG 4.21Å; F144-P155 HydrophobicContact CD2-CB 4.18Å; F144-P155 HydrophobicContact CG-CB 3.66Å; F144-P155 HydrophobicContact CG-CG 4.23Å; W147-P155 HydrophobicContact CB-CG 4.3Å; W147-P155 HydrophobicContact CG-CG 4.06Å; P155-L158 PolarHBondContact O-N 3.34Å; P155-A159 WeakPolarHBondContact O-CB 3.15Å; P155-A159 PolarHBondContact O-N 3.06Å
156R86.1Confident88.1Confident116 Ų11649.8 Ų49.844%0.43827%0.267SS..Hα-helixtrans-63.3-45.1178.8-174.8177-83.8-113.56.8111.4L141 R154 L158 A159 Q160 D216L141-R156 HydrophobicContact CD1-CB 4.47Å; R154-R156 VanDerWaalsContact C-N 3.26Å; R154-R156 PolarHBondContact O-N 2.69Å; R156-L158 VanDerWaalsContact C-N 3.3Å; R156-L158 PolarHBondContact O-N 3.12Å; R156-A159 PolarHBondContact O-N 3.5Å; R156-Q160 VanDerWaalsContact O-CB 3.31Å; R156-Q160 WeakPolarHBondContact O-CB 3.31Å; R156-Q160 PolarHBondContact O-N 3.32Å; R156-D216 IonicContact NH1-OD1 2.82Å; R156-D216 IonicContact NH2-OD1 3.04Å
157D82.1Confident88Confident65 Ų6548.4 Ų48.435%0.34827%0.265SS..Hα-helixtrans-65.4-36.1179.9-54.3-24000111.1R154 A161 P190R154-D157 WeakPolarHBondContact CB-OD2 3.34Å; R154-D157 PolarHBondContact O-N 2.79Å; R154-D157 VanDerWaalsContact O-N 3.14Å; D157-A161 WeakPolarHBondContact O-CB 3.39Å; D157-A161 PolarHBondContact O-N 3.35Å; D157-P190 HydrophobicContact CB-CG 4Å
158L89.2Confident87.8Confident0 Ų052.7 Ų52.70%029%0.286CS..Hα-helixtrans-66.9-49173.7-69.4164.7000111.8F144 W147 V153 R154 P155 R156 Q160 A161 G162 F163 V172 W184 P190F144-L158 HydrophobicContact CD1-CD1 4.4Å; F144-L158 HydrophobicContact CE1-CB 4.07Å; F144-L158 HydrophobicContact CE1-CD1 3.56Å; F144-L158 HydrophobicContact CE1-CG 4.46Å; F144-L158 HydrophobicContact CE2-CB 4.37Å; F144-L158 HydrophobicContact CZ-CB 3.63Å; F144-L158 HydrophobicContact CZ-CD1 4.02Å; F144-L158 HydrophobicContact CZ-CG 4.46Å; W147-L158 HydrophobicContact CH2-CD1 3.94Å; W147-L158 HydrophobicContact CZ2-CD1 3.59Å; V153-L158 HydrophobicContact CG2-CD1 3.79Å; V153-L158 HydrophobicContact CG2-CD2 4.28Å; V153-L158 HydrophobicContact CG2-CG 4.24Å; R154-L158 PolarHBondContact O-N 3.43Å; P155-L158 PolarHBondContact O-N 3.34Å; R156-L158 VanDerWaalsContact C-N 3.3Å; R156-L158 PolarHBondContact O-N 3.12Å; L158-Q160 VanDerWaalsContact C-N 3.31Å; L158-Q160 PolarHBondContact O-N 3.37Å; L158-A161 CarbonylContact O-C 3.54Å; L158-A161 PolarHBondContact O-N 2.96Å; L158-G162 PolarHBondContact O-N 3.09Å; L158-F163 HydrophobicContact CB-CB 4.29Å; L158-F163 HydrophobicContact CD2-CD2 4.4Å; L158-F163 WeakPolarHBondContact O-CA 3.48Å; L158-F163 VanDerWaalsContact O-CB 3.3Å; L158-F163 WeakPolarHBondContact O-CB 3.42Å; L158-F163 PolarHBondContact O-N 2.84Å; L158-V172 HydrophobicContact CD1-CG1 4.28Å; L158-V172 HydrophobicContact CD2-CG1 4.4Å; L158-V172 HydrophobicContact CD2-CG2 4.32Å; L158-W184 HydrophobicContact CD2-CD2 4.34Å; L158-W184 HydrophobicContact CD2-CH2 3.65Å; L158-W184 HydrophobicContact CD2-CZ2 3.34Å; L158-W184 HydrophobicContact CD2-CZ3 4.27Å; L158-P190 HydrophobicContact CD2-CB 3.96Å; L158-P190 HydrophobicContact CD2-CG 3.78Å; L158-P190 HydrophobicContact CG-CG 4.08Å
159A87.3Confident87.9Confident0 Ų054 Ų540%030%0.3CS..Hα-helixtrans-59.8-42.6178.500000112E137 R140 L141 F144 P155 R156 G162 F163E137-A159 HydrophobicContact CG-CB 4.19Å; R140-A159 HydrophobicContact CB-CB 4.17Å; R140-A159 PolarHBondContact NE-O 3.2Å; R140-A159 PolarHBondContact NH2-O 3.5Å; L141-A159 HydrophobicContact CB-CB 4.01Å; L141-A159 HydrophobicContact CD1-CB 4.26Å; F144-A159 HydrophobicContact CE2-CB 4.44Å; P155-A159 WeakPolarHBondContact O-CB 3.15Å; P155-A159 PolarHBondContact O-N 3.06Å; R156-A159 PolarHBondContact O-N 3.5Å; A159-G162 PolarHBondContact O-N 3.39Å; A159-G162 VanDerWaalsContact O-N 3.08Å; A159-F163 WeakPolarHBondContact CA-O 3.45Å
160Q84.9Confident88.1Confident61 Ų6149.3 Ų49.329%0.28527%0.265SS..Hα-helixtrans-61.9-43.5175.3-173.5178.968.100111.7R156 L158 G162 W191 C275R156-Q160 VanDerWaalsContact O-CB 3.31Å; R156-Q160 WeakPolarHBondContact O-CB 3.31Å; R156-Q160 PolarHBondContact O-N 3.32Å; L158-Q160 VanDerWaalsContact C-N 3.31Å; L158-Q160 PolarHBondContact O-N 3.37Å; Q160-G162 PolarHBondContact O-N 3.23Å; Q160-W191 WeakPolarHBondContact O-CZ3 3.27Å; Q160-C275 PolarHBondContact NE2-O 3.29Å
161A85.4Confident88.4Confident1 Ų147.5 Ų47.51%0.00824%0.244CC..THydrogen-bonded Turntrans-70.88.2174.200000114.9D157 L158 F163 P190 W191 H194D157-A161 WeakPolarHBondContact O-CB 3.39Å; D157-A161 PolarHBondContact O-N 3.35Å; L158-A161 CarbonylContact O-C 3.54Å; L158-A161 PolarHBondContact O-N 2.96Å; A161-F163 HydrophobicContact CB-CD2 3.82Å; A161-F163 HydrophobicContact CB-CE2 3.97Å; A161-P190 HydrophobicContact CB-CB 3.62Å; A161-W191 HydrophobicContact CB-CB 4.43Å; A161-W191 HydrophobicContact CB-CE3 3.94Å; A161-H194 PolarHBondContact O-CE1 3.44Å; A161-H194 PolarHBondContact O-ND1 3.36Å
162G85.4Confident88.7Confident0 Ų046.5 Ų46.50%024%0.236CC..THydrogen-bonded Turntrans87.911.4174.700000113.6L158 A159 Q160 C174 F175L158-G162 PolarHBondContact O-N 3.09Å; A159-G162 PolarHBondContact O-N 3.39Å; A159-G162 VanDerWaalsContact O-N 3.08Å; Q160-G162 PolarHBondContact O-N 3.23Å; G162-C174 CarbonylContact O-C 3.45Å; G162-C174 VanDerWaalsContact O-CA 3.27Å; G162-C174 WeakPolarHBondContact O-CA 3.49Å; G162-F175 VanDerWaalsContact O-CD1 3.31Å; G162-F175 WeakPolarHBondContact O-CD1 3.22Å; G162-F175 PolarHBondContact O-N 3.4Å
163F93.3Very high88.9Confident0 Ų045.5 Ų45.50%023%0.227CC..EExtended strand (participates in β ladder)trans-96.2146.7-177.3-65.3-72.4000113.2L158 A159 A161 V172 E173 C174 L181 H194L158-F163 HydrophobicContact CB-CB 4.29Å; L158-F163 HydrophobicContact CD2-CD2 4.4Å; L158-F163 WeakPolarHBondContact O-CA 3.48Å; L158-F163 VanDerWaalsContact O-CB 3.3Å; L158-F163 WeakPolarHBondContact O-CB 3.42Å; L158-F163 PolarHBondContact O-N 2.84Å; A159-F163 WeakPolarHBondContact CA-O 3.45Å; A161-F163 HydrophobicContact CB-CD2 3.82Å; A161-F163 HydrophobicContact CB-CE2 3.97Å; F163-V172 HydrophobicContact CB-CB 3.92Å; F163-V172 HydrophobicContact CB-CG2 3.88Å; F163-V172 HydrophobicContact CD1-CB 4.25Å; F163-V172 HydrophobicContact CD1-CG2 3.6Å; F163-V172 HydrophobicContact CD2-CG2 4.48Å; F163-V172 HydrophobicContact CE1-CG2 4.25Å; F163-V172 HydrophobicContact CG-CB 4.31Å; F163-V172 HydrophobicContact CG-CG2 3.75Å; F163-E173 CarbonylContact C-O 3.6Å; F163-E173 VanDerWaalsContact CA-O 3.32Å; F163-E173 WeakPolarHBondContact CA-O 3.18Å; F163-C174 HydrophobicContact CD1-CB 3.96Å; F163-C174 HydrophobicContact CE1-CB 3.77Å; F163-L181 HydrophobicContact CE1-CD1 4.03Å; F163-L181 HydrophobicContact CE1-CG 4.21Å; F163-L181 HydrophobicContact CE2-CD1 4.14Å; F163-L181 HydrophobicContact CZ-CD1 3.48Å; F163-L181 VanDerWaalsContact CZ-CD1 3.48Å; F163-L181 HydrophobicContact CZ-CG 4.15Å; F163-H194 HydrophobicContact CE2-CB 3.7Å; F163-H194 AromaticContact CE2-CG 3.77Å; F163-H194 AromaticContact CE2-ND1 3.57Å; F163-H194 HydrophobicContact CZ-CB 3.58Å; F163-H194 AromaticContact CZ-CD2 3.96Å; F163-H194 AromaticContact CZ-CG 3.37Å; F163-H194 AromaticContact CZ-ND1 3.43Å; F163-H194 WeakPolarHBondContact CZ-ND1 3.37Å
164Y91.4Very high88.9Confident27 Ų2745 Ų4511%0.10622%0.224CC..EExtended strand (participates in β ladder)trans-126154.3166.364.8-91.2000110.6I131 M134 L166 V172 E173I131-Y164 HydrophobicContact CG1-CE1 4.41Å; I131-Y164 HydrophobicContact CG2-CE1 4.4Å; M134-Y164 HydrophobicContact CB-CD1 4.07Å; M134-Y164 HydrophobicContact CB-CE1 4.29Å; M134-Y164 HydrophobicContact CE-CD1 3.74Å; M134-Y164 HydrophobicContact CE-CD2 3.64Å; M134-Y164 HydrophobicContact CE-CE1 4.47Å; M134-Y164 HydrophobicContact CE-CE2 4.39Å; M134-Y164 HydrophobicContact CE-CG 3.26Å; M134-Y164 HydrophobicContact CG-CD1 3.94Å; M134-Y164 HydrophobicContact CG-CE1 3.98Å; M134-Y164 HydrophobicContact CG-CG 4.38Å; Y164-L166 HydrophobicContact CD2-CD2 4.26Å; Y164-L166 HydrophobicContact CE2-CD2 3.64Å; Y164-V172 CarbonylContact O-C 3.55Å; Y164-V172 VanDerWaalsContact O-CA 3.24Å; Y164-V172 WeakPolarHBondContact O-CA 3.22Å; Y164-V172 WeakPolarHBondContact O-CB 3.33Å; Y164-E173 WeakPolarHBondContact CD1-O 3.45Å; Y164-E173 HydrophobicContact CE1-CB 3.95Å; Y164-E173 HydrophobicContact CE1-CG 4.04Å; Y164-E173 WeakPolarHBondContact CE1-O 3.48Å; Y164-E173 HydrophobicContact CE2-CB 4.07Å; Y164-E173 PolarHBondContact N-O 3.22Å; Y164-E173 PolarHBondContact O-N 2.93Å; Y164-E173 WeakPolarHBondContact OH-CG 3.46Å; Y164-E173 PolarHBondContact OH-OE2 3.02Å; Y164-E173 VanDerWaalsContact OH-OE2 3.07Å
165Y94.2Very high88.7Confident19 Ų1936.3 Ų36.38%0.07519%0.191CC..EExtended strand (participates in β ladder)trans-80.6139-176.6-177.4-141.8000112.2T143 F144 S146 W147 G167 Q168 A169 R171T143-Y165 WeakPolarHBondContact O-CD1 3.19Å; T143-Y165 PolarHBondContact OG1-N 3.45Å; F144-Y165 HydrophobicContact CD1-CG 4.28Å; F144-Y165 HydrophobicContact CE1-CG 4.47Å; S146-Y165 WeakPolarHBondContact O-CE1 3.46Å; W147-Y165 HydrophobicContact CE3-CD1 4.17Å; W147-Y165 AromaticContact CE3-CD2 3.36Å; W147-Y165 HydrophobicContact CE3-CD2 3.36Å; W147-Y165 HydrophobicContact CE3-CE1 4.31Å; W147-Y165 AromaticContact CE3-CE2 3.57Å; W147-Y165 HydrophobicContact CE3-CE2 3.57Å; W147-Y165 AromaticContact CE3-CG 3.72Å; W147-Y165 HydrophobicContact CE3-CG 3.72Å; W147-Y165 AromaticContact CZ3-CD2 3.36Å; W147-Y165 HydrophobicContact CZ3-CD2 3.36Å; W147-Y165 AromaticContact CZ3-CE2 3.61Å; W147-Y165 HydrophobicContact CZ3-CE2 3.61Å; W147-Y165 HydrophobicContact CZ3-CG 4.11Å; Y165-G167 VanDerWaalsContact CZ-C 3.45Å; Y165-G167 VanDerWaalsContact OH-C 3.22Å; Y165-Q168 PolarHBondContact OH-N 3.18Å; Y165-A169 VanDerWaalsContact CE2-O 3.28Å; Y165-A169 WeakPolarHBondContact CE2-O 3.46Å; Y165-A169 PolarHBondContact OH-O 3.13Å; Y165-R171 VanDerWaalsContact CD2-O 3.23Å; Y165-R171 WeakPolarHBondContact CD2-O 3.32Å
166L87.6Confident88.1Confident62 Ų6234.4 Ų34.433%0.32518%0.179SC..  trans-91.2-0.6178.4-61.1-179.6000114.2Y164 Q168 R171 E173 K180Y164-L166 HydrophobicContact CD2-CD2 4.26Å; Y164-L166 HydrophobicContact CE2-CD2 3.64Å; L166-Q168 VanDerWaalsContact C-N 3.28Å; L166-Q168 PolarHBondContact O-N 3.47Å; L166-R171 HydrophobicContact CB-CB 4.5Å; L166-R171 HydrophobicContact CD1-CB 4.22Å; L166-R171 PolarHBondContact N-O 3.47Å; L166-R171 VanDerWaalsContact N-O 3.12Å; L166-E173 HydrophobicContact CD1-CB 4.27Å; L166-E173 HydrophobicContact CD2-CB 3.86Å; L166-E173 WeakPolarHBondContact CD2-OE2 3.38Å; L166-E173 HydrophobicContact CG-CB 4.23Å; L166-K180 HydrophobicContact CD1-CD 3.86Å; L166-K180 HydrophobicContact CD1-CG 4.24Å
167G86.4Confident87.6Confident48 Ų4829.8 Ų29.850%0.49516%0.164SC..SBendtrans78.87.1-179.900000114.8Y165Y165-G167 VanDerWaalsContact CZ-C 3.45Å; Y165-G167 VanDerWaalsContact OH-C 3.22Å
168Q88.5Confident87.5Confident119 Ų11927.6 Ų27.656%0.55616%0.156SC*.SBendtrans-132.4122.7-178.7-172.4-179.742.900111.4Y165 L166 D170 R171Y165-Q168 PolarHBondContact OH-N 3.18Å; L166-Q168 VanDerWaalsContact C-N 3.28Å; L166-Q168 PolarHBondContact O-N 3.47Å; Q168-D170 PolarHBondContact O-N 2.95Å; Q168-R171 WeakPolarHBondContact O-CB 3.1Å; Q168-R171 VanDerWaalsContact O-CG 3.3Å; Q168-R171 WeakPolarHBondContact O-CG 3.35Å; Q168-R171 PolarHBondContact O-N 3Å; Q168-R171 VanDerWaalsContact O-N 3.16Å
169A89.4Confident87.1Confident63 Ų6330.8 Ų30.852%0.52117%0.174SC..THydrogen-bonded Turntrans50.6-127.6-178.500000110.9P148 Y165P148-A169 WeakPolarHBondContact CD-O 3.46Å; P148-A169 WeakPolarHBondContact CG-O 3Å; Y165-A169 VanDerWaalsContact CE2-O 3.28Å; Y165-A169 WeakPolarHBondContact CE2-O 3.46Å; Y165-A169 PolarHBondContact OH-O 3.13Å
170D92.2Very high87.2Confident25 Ų2534.5 Ų34.513%0.13419%0.19CC..THydrogen-bonded Turntrans-112.328.317769.3-20.7000111.8W147 Q168 N183 W184W147-D170 VanDerWaalsContact CH2-CA 3.48Å; W147-D170 HydrophobicContact CH2-CB 3.74Å; W147-D170 VanDerWaalsContact CH2-O 3.28Å; W147-D170 WeakPolarHBondContact CH2-O 3.48Å; W147-D170 HydrophobicContact CZ2-CB 4.23Å; W147-D170 HydrophobicContact CZ3-CB 4.29Å; Q168-D170 PolarHBondContact O-N 2.95Å; D170-N183 VanDerWaalsContact CG-N 3.3Å; D170-N183 PolarHBondContact OD1-N 2.74Å; D170-N183 VanDerWaalsContact OD1-N 3.14Å; D170-N183 WeakPolarHBondContact OD2-CA 3.39Å; D170-N183 PolarHBondContact OD2-N 2.9Å; D170-W184 VanDerWaalsContact O-CD1 3.3Å; D170-W184 PolarHBondContact O-NE1 3.3Å; D170-W184 PolarHBondContact OD2-N 3.15Å
171R92.5Very high87.3Confident91 Ų9132.2 Ų32.234%0.34318%0.18SC..  trans-83.3128.2-173.4-55.9179.574-1704.2111.4Y165 L166 Q168 L181 N182Y165-R171 VanDerWaalsContact CD2-O 3.23Å; Y165-R171 WeakPolarHBondContact CD2-O 3.32Å; L166-R171 HydrophobicContact CB-CB 4.5Å; L166-R171 HydrophobicContact CD1-CB 4.22Å; L166-R171 PolarHBondContact N-O 3.47Å; L166-R171 VanDerWaalsContact N-O 3.12Å; Q168-R171 WeakPolarHBondContact O-CB 3.1Å; Q168-R171 VanDerWaalsContact O-CG 3.3Å; Q168-R171 WeakPolarHBondContact O-CG 3.35Å; Q168-R171 PolarHBondContact O-N 3Å; Q168-R171 VanDerWaalsContact O-N 3.16Å; R171-L181 WeakPolarHBondContact CA-O 3.45Å; R171-N182 HydrophobicContact CB-CB 4.31Å; R171-N182 HydrophobicContact CG-CB 3.77Å
172V93.8Very high87.7Confident0 Ų035.6 Ų35.60%020%0.198CC..EExtended strand (participates in β ladder)trans-126156.8178-570000111.8F144 W147 L158 F163 Y164 K180 L181 W184F144-V172 HydrophobicContact CE1-CG1 3.87Å; F144-V172 HydrophobicContact CZ-CG1 4.07Å; W147-V172 HydrophobicContact CH2-CG1 3.72Å; W147-V172 HydrophobicContact CZ3-CG1 3.67Å; L158-V172 HydrophobicContact CD1-CG1 4.28Å; L158-V172 HydrophobicContact CD2-CG1 4.4Å; L158-V172 HydrophobicContact CD2-CG2 4.32Å; F163-V172 HydrophobicContact CB-CB 3.92Å; F163-V172 HydrophobicContact CB-CG2 3.88Å; F163-V172 HydrophobicContact CD1-CB 4.25Å; F163-V172 HydrophobicContact CD1-CG2 3.6Å; F163-V172 HydrophobicContact CD2-CG2 4.48Å; F163-V172 HydrophobicContact CE1-CG2 4.25Å; F163-V172 HydrophobicContact CG-CB 4.31Å; F163-V172 HydrophobicContact CG-CG2 3.75Å; Y164-V172 CarbonylContact O-C 3.55Å; Y164-V172 VanDerWaalsContact O-CA 3.24Å; Y164-V172 WeakPolarHBondContact O-CA 3.22Å; Y164-V172 WeakPolarHBondContact O-CB 3.33Å; V172-K180 CarbonylContact O-C 3.58Å; V172-K180 WeakPolarHBondContact O-CA 3.27Å; V172-K180 WeakPolarHBondContact O-CB 3.44Å; V172-L181 HydrophobicContact CG2-CB 4.03Å; V172-L181 PolarHBondContact N-O 2.88Å; V172-L181 PolarHBondContact O-N 2.95Å; V172-W184 HydrophobicContact CG2-CZ2 3.64Å
173E90.3Very high87.9Confident26 Ų2641.2 Ų41.212%0.12123%0.228CC..EExtended strand (participates in β ladder)trans-131136.4179.9-177.2164.6-164.700111.2F163 Y164 L166 G178 N179 K180F163-E173 CarbonylContact C-O 3.6Å; F163-E173 VanDerWaalsContact CA-O 3.32Å; F163-E173 WeakPolarHBondContact CA-O 3.18Å; Y164-E173 WeakPolarHBondContact CD1-O 3.45Å; Y164-E173 HydrophobicContact CE1-CB 3.95Å; Y164-E173 HydrophobicContact CE1-CG 4.04Å; Y164-E173 WeakPolarHBondContact CE1-O 3.48Å; Y164-E173 HydrophobicContact CE2-CB 4.07Å; Y164-E173 PolarHBondContact N-O 3.22Å; Y164-E173 PolarHBondContact O-N 2.93Å; Y164-E173 WeakPolarHBondContact OH-CG 3.46Å; Y164-E173 PolarHBondContact OH-OE2 3.02Å; Y164-E173 VanDerWaalsContact OH-OE2 3.07Å; L166-E173 HydrophobicContact CD1-CB 4.27Å; L166-E173 HydrophobicContact CD2-CB 3.86Å; L166-E173 WeakPolarHBondContact CD2-OE2 3.38Å; L166-E173 HydrophobicContact CG-CB 4.23Å; E173-G178 VanDerWaalsContact OE1-O 3.09Å; E173-N179 WeakPolarHBondContact CA-O 3.4Å; E173-K180 HydrophobicContact CB-CG 3.98Å; E173-K180 HydrophobicContact CG-CG 3.99Å; E173-K180 IonicContact OE1-NZ 2.67Å; E173-K180 PolarHBondContact OE1-NZ 3.39Å; E173-K180 WeakPolarHBondContact OE2-CE 3.02Å; E173-K180 IonicContact OE2-NZ 3.66Å; E173-K180 PolarHBondContact OE2-NZ 3.5Å
174C89.9Confident87.9Confident0 Ų042.1 Ų42.10%023%0.231CC..EExtended strand (participates in β ladder)trans-79.3128.8179.1173.20000111.2I131 G162 F163 C176 C177 G178 N179 H194I131-C174 WeakPolarHBondContact CD1-O 3.41Å; G162-C174 CarbonylContact O-C 3.45Å; G162-C174 VanDerWaalsContact O-CA 3.27Å; G162-C174 WeakPolarHBondContact O-CA 3.49Å; F163-C174 HydrophobicContact CD1-CB 3.96Å; F163-C174 HydrophobicContact CE1-CB 3.77Å; C174-C176 PolarHBondContact O-N 2.81Å; C174-C176 PolarHBondContact SG-N 2.91Å; C174-C177 WeakPolarHBondContact CB-SG 3.46Å; C174-C177 PolarHBondContact SG-N 2.94Å; C174-C177 VanDerWaalsContact SG-N 3.43Å; C174-C177 VanDerWaalsContact SG-SG 3.64Å; C174-G178 VanDerWaalsContact O-CA 3.26Å; C174-G178 WeakPolarHBondContact O-CA 3.48Å; C174-G178 PolarHBondContact O-N 3.23Å; C174-N179 PolarHBondContact N-O 3.39Å; C174-H194 PolarHBondContact SG-CE1 3.04Å
175F84.4Confident87.8Confident0 Ų047.4 Ų47.40%026%0.256CS..THydrogen-bonded Turntrans-59.4-33.5176.583-70.3000113.3P129 R130 I131 M134 K135 G162 F203 V209 N211P129-F175 HydrophobicContact CB-CD2 3.29Å; P129-F175 HydrophobicContact CB-CE2 3.54Å; P129-F175 HydrophobicContact CB-CG 4.24Å; P129-F175 VanDerWaalsContact CB-O 3.27Å; P129-F175 WeakPolarHBondContact CB-O 3.49Å; P129-F175 HydrophobicContact CG-CD2 3.62Å; P129-F175 HydrophobicContact CG-CE2 3.67Å; R130-F175 PolarHBondContact N-O 3.38Å; I131-F175 WeakPolarHBondContact CD1-O 3.44Å; I131-F175 PolarHBondContact N-O 3.07Å; M134-F175 HydrophobicContact CB-CB 3.62Å; M134-F175 WeakPolarHBondContact O-CB 3.34Å; M134-F175 WeakPolarHBondContact O-CG 3.42Å; K135-F175 HydrophobicContact CG-CD2 4.4Å; K135-F175 HydrophobicContact CG-CE2 4.37Å; G162-F175 VanDerWaalsContact O-CD1 3.31Å; G162-F175 WeakPolarHBondContact O-CD1 3.22Å; G162-F175 PolarHBondContact O-N 3.4Å; F175-F203 HydrophobicContact CE1-CB 4.42Å; F175-F203 AromaticContact CE1-CD1 3.97Å; F175-F203 HydrophobicContact CE1-CD1 3.97Å; F175-F203 AromaticContact CE1-CD2 3.82Å; F175-F203 HydrophobicContact CE1-CD2 3.82Å; F175-F203 HydrophobicContact CE1-CE1 4.13Å; F175-F203 AromaticContact CE1-CE2 3.99Å; F175-F203 HydrophobicContact CE1-CE2 3.99Å; F175-F203 AromaticContact CE1-CG 3.8Å; F175-F203 HydrophobicContact CE1-CG 3.8Å; F175-F203 HydrophobicContact CE1-CZ 4.14Å; F175-F203 AromaticContact CZ-CD2 3.72Å; F175-F203 HydrophobicContact CZ-CD2 3.72Å; F175-F203 AromaticContact CZ-CE2 4Å; F175-F203 HydrophobicContact CZ-CE2 4Å; F175-F203 HydrophobicContact CZ-CG 4.08Å; F175-V209 HydrophobicContact CE2-CG2 3.97Å; F175-V209 HydrophobicContact CZ-CG2 3.7Å; F175-N211 HydrophobicContact CE2-CB 4.41Å; F175-N211 HydrophobicContact CZ-CB 3.89Å
176C76.1Confident87.3Confident0 Ų053.7 Ų53.70%029%0.292CS..THydrogen-bonded Turntrans-83.9-57-173.8-178.60000112.6Y128 P129 R130 C174 F203Y128-C176 VanDerWaalsContact CD1-O 3.22Å; Y128-C176 WeakPolarHBondContact CD1-O 3.08Å; Y128-C176 WeakPolarHBondContact CD1-SG 3.4Å; Y128-C176 WeakPolarHBondContact CE1-O 3.38Å; P129-C176 HydrophobicContact CB-CB 4.33Å; R130-C176 VanDerWaalsContact CB-O 3.28Å; R130-C176 WeakPolarHBondContact CB-O 3.45Å; R130-C176 WeakPolarHBondContact CG-O 3.42Å; R130-C176 PolarHBondContact N-O 2.66Å; C174-C176 PolarHBondContact O-N 2.81Å; C174-C176 PolarHBondContact SG-N 2.91Å; C176-F203 HydrophobicContact CB-CB 3.45Å; C176-F203 VanDerWaalsContact CB-CB 3.45Å; C176-F203 HydrophobicContact CB-CG 4.32Å; C176-F203 VanDerWaalsContact SG-CB 3.57Å; C176-F203 PolarHBondContact SG-N 3.02Å
177C75.8Confident87Confident18 Ų1854.1 Ų54.112%0.12231%0.311CS..THydrogen-bonded Turntrans-91.6-15.5-176.865.70000114.5C174 N179 C201C174-C177 WeakPolarHBondContact CB-SG 3.46Å; C174-C177 PolarHBondContact SG-N 2.94Å; C174-C177 VanDerWaalsContact SG-N 3.43Å; C174-C177 VanDerWaalsContact SG-SG 3.64Å; C177-N179 PolarHBondContact O-N 2.8Å; C177-N179 PolarHBondContact SG-ND2 3.36Å; C177-N179 VanDerWaalsContact SG-ND2 3.41Å; C177-C201 HydrophobicContact CB-CB 3.83Å; C177-C201 VanDerWaalsContact CB-SG 3.56Å
178G78.8Confident86.8Confident19 Ų1953.8 Ų53.820%0.19630%0.297CS..  trans71.36-176.900000114.8E173 C174E173-G178 VanDerWaalsContact OE1-O 3.09Å; C174-G178 VanDerWaalsContact O-CA 3.26Å; C174-G178 WeakPolarHBondContact O-CA 3.48Å; C174-G178 PolarHBondContact O-N 3.23Å
179N80.9Confident86.4Confident67 Ų6752.6 Ų52.636%0.35829%0.288SS..  trans-81.4157.1175.8-62.9-49.1000111.2E173 C174 C177 F198E173-N179 WeakPolarHBondContact CA-O 3.4Å; C174-N179 PolarHBondContact N-O 3.39Å; C177-N179 PolarHBondContact O-N 2.8Å; C177-N179 PolarHBondContact SG-ND2 3.36Å; C177-N179 VanDerWaalsContact SG-ND2 3.41Å; N179-F198 HydrophobicContact CB-CD1 3.64Å; N179-F198 HydrophobicContact CB-CD2 3.66Å; N179-F198 HydrophobicContact CB-CE1 3.54Å; N179-F198 HydrophobicContact CB-CE2 3.52Å; N179-F198 HydrophobicContact CB-CG 3.73Å; N179-F198 HydrophobicContact CB-CZ 3.49Å; N179-F198 VanDerWaalsContact CB-CZ 3.49Å; N179-F198 WeakPolarHBondContact ND2-CD1 3.45Å
180K90.4Very high86.2Confident78 Ų7850 Ų5034%0.33927%0.266SS..EExtended strand (participates in β ladder)trans-117.9141.4-171.5-62.9174.2173.563.40111.2L166 V172 E173L166-K180 HydrophobicContact CD1-CD 3.86Å; L166-K180 HydrophobicContact CD1-CG 4.24Å; V172-K180 CarbonylContact O-C 3.58Å; V172-K180 WeakPolarHBondContact O-CA 3.27Å; V172-K180 WeakPolarHBondContact O-CB 3.44Å; E173-K180 HydrophobicContact CB-CG 3.98Å; E173-K180 HydrophobicContact CG-CG 3.99Å; E173-K180 IonicContact OE1-NZ 2.67Å; E173-K180 PolarHBondContact OE1-NZ 3.39Å; E173-K180 WeakPolarHBondContact OE2-CE 3.02Å; E173-K180 IonicContact OE2-NZ 3.66Å; E173-K180 PolarHBondContact OE2-NZ 3.5Å
181L87.6Confident85.7Confident14 Ų1450.4 Ų50.47%0.07327%0.265CS..EExtended strand (participates in β ladder)trans-123.3155171.1-67.9-179.5000110.4F163 R171 V172 W184 E193 H197 F198F163-L181 HydrophobicContact CE1-CD1 4.03Å; F163-L181 HydrophobicContact CE1-CG 4.21Å; F163-L181 HydrophobicContact CE2-CD1 4.14Å; F163-L181 HydrophobicContact CZ-CD1 3.48Å; F163-L181 VanDerWaalsContact CZ-CD1 3.48Å; F163-L181 HydrophobicContact CZ-CG 4.15Å; R171-L181 WeakPolarHBondContact CA-O 3.45Å; V172-L181 HydrophobicContact CG2-CB 4.03Å; V172-L181 PolarHBondContact N-O 2.88Å; V172-L181 PolarHBondContact O-N 2.95Å; L181-W184 HydrophobicContact CB-CH2 4.34Å; L181-W184 HydrophobicContact CB-CZ2 3.69Å; L181-W184 HydrophobicContact CD1-CH2 3.7Å; L181-W184 HydrophobicContact CD1-CZ2 3.9Å; L181-W184 HydrophobicContact CG-CZ2 4.46Å; L181-E193 HydrophobicContact CD1-CB 4.04Å; L181-H197 HydrophobicContact CD2-CB 4.01Å; L181-F198 HydrophobicContact CD1-CE2 4.5Å; L181-F198 HydrophobicContact CD2-CE2 3.51Å; L181-F198 HydrophobicContact CD2-CZ 3.92Å; L181-F198 HydrophobicContact CG-CE2 3.8Å
182N93.1Very high84.9Confident72 Ų7249.4 Ų49.439%0.38527%0.265SS..  trans-166.5175.4179.265.3-76.1000109.8R171R171-N182 HydrophobicContact CB-CB 4.31Å; R171-N182 HydrophobicContact CG-CB 3.77Å
183N90Very high84.4Confident118 Ų11851.7 Ų51.763%0.63128%0.275SS*.  trans6251-174.3-51.8-30.3000113.1D170D170-N183 VanDerWaalsContact CG-N 3.3Å; D170-N183 PolarHBondContact OD1-N 2.74Å; D170-N183 VanDerWaalsContact OD1-N 3.14Å; D170-N183 WeakPolarHBondContact OD2-CA 3.39Å; D170-N183 PolarHBondContact OD2-N 2.9Å
184W92.3Very high83.9Confident19 Ų1950.4 Ų50.47%0.07227%0.269CS..  trans-68.4135.5-179.6-63.492.3000111.8P152 V153 L158 D170 V172 L181 D188 P190 E193P152-W184 WeakPolarHBondContact CD-O 3.24Å; P152-W184 VanDerWaalsContact CG-C 3.49Å; P152-W184 HydrophobicContact CG-CB 4.14Å; P152-W184 WeakPolarHBondContact CG-O 3.26Å; V153-W184 HydrophobicContact CB-CE3 4.48Å; V153-W184 HydrophobicContact CG1-CB 4.23Å; V153-W184 HydrophobicContact CG1-CD2 4.28Å; V153-W184 HydrophobicContact CG1-CE3 3.79Å; V153-W184 HydrophobicContact CG1-CG 4.5Å; V153-W184 HydrophobicContact CG2-CB 3.7Å; V153-W184 HydrophobicContact CG2-CD2 3.75Å; V153-W184 HydrophobicContact CG2-CE3 4.09Å; V153-W184 HydrophobicContact CG2-CG 3.57Å; L158-W184 HydrophobicContact CD2-CD2 4.34Å; L158-W184 HydrophobicContact CD2-CH2 3.65Å; L158-W184 HydrophobicContact CD2-CZ2 3.34Å; L158-W184 HydrophobicContact CD2-CZ3 4.27Å; D170-W184 VanDerWaalsContact O-CD1 3.3Å; D170-W184 PolarHBondContact O-NE1 3.3Å; D170-W184 PolarHBondContact OD2-N 3.15Å; V172-W184 HydrophobicContact CG2-CZ2 3.64Å; L181-W184 HydrophobicContact CB-CH2 4.34Å; L181-W184 HydrophobicContact CB-CZ2 3.69Å; L181-W184 HydrophobicContact CD1-CH2 3.7Å; L181-W184 HydrophobicContact CD1-CZ2 3.9Å; L181-W184 HydrophobicContact CG-CZ2 4.46Å; W184-D188 HydrophobicContact CE3-CB 3.91Å; W184-D188 HydrophobicContact CZ3-CB 4.36Å; W184-P190 HydrophobicContact CH2-CB 4.1Å; W184-P190 HydrophobicContact CH2-CG 4.34Å; W184-P190 HydrophobicContact CZ3-CB 4.25Å; W184-P190 HydrophobicContact CZ3-CG 4.12Å; W184-E193 HydrophobicContact CH2-CB 4.12Å; W184-E193 HydrophobicContact CZ3-CB 3.88Å; W184-E193 HydrophobicContact CZ3-CG 3.82Å
185E90.3Very high82.7Confident137 Ų13751.8 Ų51.864%0.6428%0.281SS*.  trans-110.4165.3-178.8-59.9-169.117100112.9P152 G187 D188P152-E185 VanDerWaalsContact CG-O 3.27Å; P152-E185 WeakPolarHBondContact CG-O 3.44Å; E185-G187 PolarHBondContact O-N 3.26Å; E185-D188 PolarHBondContact N-OD2 3.31Å; E185-D188 WeakPolarHBondContact O-CB 3.2Å; E185-D188 PolarHBondContact O-N 2.91Å
186N83.9Confident82.1Confident152 Ų15256 Ų5681%0.81331%0.307SS*.THydrogen-bonded Turntrans-68.6118.2177.6-89.3-48.6000110.6P152P152-N186 HydrophobicContact CB-CB 4.45Å; P152-N186 VanDerWaalsContact CB-OD1 3.27Å; P152-N186 WeakPolarHBondContact CB-OD1 3.28Å
187G81.1Confident81.6Confident70 Ų7060.9 Ų60.972%0.72233%0.329SS*.THydrogen-bonded Turntrans104.6-9.7-179.200000113.7E185 R189E185-G187 PolarHBondContact O-N 3.26Å; G187-R189 PolarHBondContact O-N 3.3Å
188D82.7Confident81.4Confident41 Ų4162.1 Ų62.122%0.21933%0.332CS..  trans-60.3136.8176.3-71.51.5000111.3V153 W184 E185 E193V153-D188 HydrophobicContact CG1-CB 4.08Å; W184-D188 HydrophobicContact CE3-CB 3.91Å; W184-D188 HydrophobicContact CZ3-CB 4.36Å; E185-D188 PolarHBondContact N-OD2 3.31Å; E185-D188 WeakPolarHBondContact O-CB 3.2Å; E185-D188 PolarHBondContact O-N 2.91Å; D188-E193 HydrophobicContact CB-CG 4.24Å
189R79.7Confident80.4Confident95 Ų9564.1 Ų64.136%0.35834%0.342SS..  trans-110.7111.8176.7-71.8175.5165.9-164.5-5.5108.6G187 W191 E192 E193 E295G187-R189 PolarHBondContact O-N 3.3Å; R189-W191 PolarHBondContact O-N 3.39Å; R189-E192 HydrophobicContact CB-CB 4.09Å; R189-E192 HydrophobicContact CB-CG 4.05Å; R189-E192 WeakPolarHBondContact CD-OE1 3.04Å; R189-E192 IonicContact CZ-OE1 3.67Å; R189-E192 IonicContact NE-OE1 3.27Å; R189-E192 IonicContact NH1-OE1 2.99Å; R189-E192 PolarHBondContact NH1-OE1 3.05Å; R189-E192 PolarHBondContact O-N 2.87Å; R189-E193 PolarHBondContact O-N 3.13Å; R189-E295 IonicContact NH1-OE2 2.76Å
190P85.1Confident79.1Confident8 Ų867.2 Ų67.25%0.05236%0.359CS..Hα-helixtrans-51-37-174.3-34.338.9000115.6D157 L158 A161 W184 H194D157-P190 HydrophobicContact CB-CG 4Å; L158-P190 HydrophobicContact CD2-CB 3.96Å; L158-P190 HydrophobicContact CD2-CG 3.78Å; L158-P190 HydrophobicContact CG-CG 4.08Å; A161-P190 HydrophobicContact CB-CB 3.62Å; W184-P190 HydrophobicContact CH2-CB 4.1Å; W184-P190 HydrophobicContact CH2-CG 4.34Å; W184-P190 HydrophobicContact CZ3-CB 4.25Å; W184-P190 HydrophobicContact CZ3-CG 4.12Å; P190-H194 VanDerWaalsContact O-CB 3.23Å; P190-H194 WeakPolarHBondContact O-CB 3.24Å; P190-H194 PolarHBondContact O-N 3.21Å
191W81.1Confident78Confident33 Ų3363.7 Ų63.713%0.12534%0.344CS..Hα-helixtrans-68.6-44.5178-160.4-83.1000112.7Q160 A161 R189 H194 A195 F203 I204 P297Q160-W191 WeakPolarHBondContact O-CZ3 3.27Å; A161-W191 HydrophobicContact CB-CB 4.43Å; A161-W191 HydrophobicContact CB-CE3 3.94Å; R189-W191 PolarHBondContact O-N 3.39Å; W191-H194 WeakPolarHBondContact O-CB 3.46Å; W191-H194 PolarHBondContact O-N 3.08Å; W191-A195 WeakPolarHBondContact O-CB 3.34Å; W191-A195 PolarHBondContact O-N 2.9Å; W191-F203 HydrophobicContact CH2-CD1 4.1Å; W191-F203 AromaticContact CH2-CE1 3.46Å; W191-F203 HydrophobicContact CH2-CE1 3.46Å; W191-F203 VanDerWaalsContact CH2-CE1 3.46Å; W191-F203 HydrophobicContact CH2-CE2 4.36Å; W191-F203 AromaticContact CH2-CZ 3.62Å; W191-F203 HydrophobicContact CH2-CZ 3.62Å; W191-F203 HydrophobicContact CZ2-CE1 4.5Å; W191-F203 HydrophobicContact CZ3-CD1 4.44Å; W191-F203 AromaticContact CZ3-CE1 3.48Å; W191-F203 HydrophobicContact CZ3-CE1 3.48Å; W191-F203 VanDerWaalsContact CZ3-CE1 3.48Å; W191-F203 AromaticContact CZ3-CZ 3.73Å; W191-F203 HydrophobicContact CZ3-CZ 3.73Å; W191-I204 HydrophobicContact CD2-CD1 4.18Å; W191-I204 HydrophobicContact CG-CD1 4.47Å; W191-I204 HydrophobicContact CZ2-CD1 3.99Å; W191-P297 HydrophobicContact CZ2-CG 4.32Å
192E76.6Confident76.8Confident71 Ų7166.4 Ų66.433%0.33236%0.355SS..Hα-helixtrans-67.1-42.2178.5-67.4176.4-155.700111R189 H194 A195 T196R189-E192 HydrophobicContact CB-CB 4.09Å; R189-E192 HydrophobicContact CB-CG 4.05Å; R189-E192 WeakPolarHBondContact CD-OE1 3.04Å; R189-E192 IonicContact CZ-OE1 3.67Å; R189-E192 IonicContact NE-OE1 3.27Å; R189-E192 IonicContact NH1-OE1 2.99Å; R189-E192 PolarHBondContact NH1-OE1 3.05Å; R189-E192 PolarHBondContact O-N 2.87Å; E192-H194 VanDerWaalsContact C-N 3.31Å; E192-H194 PolarHBondContact O-N 2.96Å; E192-A195 PolarHBondContact O-N 3.22Å; E192-T196 VanDerWaalsContact O-CB 3.22Å; E192-T196 WeakPolarHBondContact O-CB 3.5Å; E192-T196 PolarHBondContact O-N 3.43Å; E192-T196 PolarHBondContact O-OG1 3.24Å
193E82.6Confident75.7Confident47 Ų4763.8 Ų63.822%0.2234%0.34CS..Hα-helixtrans-61-42175.6-72.5-53.2124.300111.4L181 W184 D188 R189 T196 H197L181-E193 HydrophobicContact CD1-CB 4.04Å; W184-E193 HydrophobicContact CH2-CB 4.12Å; W184-E193 HydrophobicContact CZ3-CB 3.88Å; W184-E193 HydrophobicContact CZ3-CG 3.82Å; D188-E193 HydrophobicContact CB-CG 4.24Å; R189-E193 PolarHBondContact O-N 3.13Å; E193-T196 PolarHBondContact O-N 3.06Å; E193-H197 WeakPolarHBondContact O-CB 3.32Å; E193-H197 PolarHBondContact O-N 2.84Å; E193-H197 PolarHBondContact O-ND1 3.21Å; E193-H197 IonicContact OE2-CE1 3.03Å; E193-H197 PolarHBondContact OE2-CE1 3.21Å; E193-H197 IonicContact OE2-ND1 2.74Å; E193-H197 PolarHBondContact OE2-ND1 3.06Å
194H80.3Confident74.9Confident0 Ų058.5 Ų58.50%031%0.312CS..Hα-helixtrans-64-46.7175.4-165.7171.9000111.9A161 F163 C174 P190 W191 E192 T196 F198 C201 I204A161-H194 PolarHBondContact O-CE1 3.44Å; A161-H194 PolarHBondContact O-ND1 3.36Å; F163-H194 HydrophobicContact CE2-CB 3.7Å; F163-H194 AromaticContact CE2-CG 3.77Å; F163-H194 AromaticContact CE2-ND1 3.57Å; F163-H194 HydrophobicContact CZ-CB 3.58Å; F163-H194 AromaticContact CZ-CD2 3.96Å; F163-H194 AromaticContact CZ-CG 3.37Å; F163-H194 AromaticContact CZ-ND1 3.43Å; F163-H194 WeakPolarHBondContact CZ-ND1 3.37Å; C174-H194 PolarHBondContact SG-CE1 3.04Å; P190-H194 VanDerWaalsContact O-CB 3.23Å; P190-H194 WeakPolarHBondContact O-CB 3.24Å; P190-H194 PolarHBondContact O-N 3.21Å; W191-H194 WeakPolarHBondContact O-CB 3.46Å; W191-H194 PolarHBondContact O-N 3.08Å; E192-H194 VanDerWaalsContact C-N 3.31Å; E192-H194 PolarHBondContact O-N 2.96Å; H194-T196 VanDerWaalsContact C-N 3.32Å; H194-T196 PolarHBondContact O-N 2.84Å; H194-F198 AromaticContact CD2-CD2 3.98Å; H194-F198 CarbonylContact O-C 3.55Å; H194-F198 WeakPolarHBondContact O-CA 3.47Å; H194-F198 PolarHBondContact O-N 3.41Å; H194-C201 PolarHBondContact NE2-SG 2.97Å; H194-I204 HydrophobicContact CB-CD1 3.86Å; H194-I204 HydrophobicContact CB-CG1 4.27Å
195A64.8Low72.9Confident29 Ų2960.3 Ų60.324%0.2432%0.323CS..Hα-helixtrans-66.3-35.5179.200000112.6W191 E192 P199 I204W191-A195 WeakPolarHBondContact O-CB 3.34Å; W191-A195 PolarHBondContact O-N 2.9Å; E192-A195 PolarHBondContact O-N 3.22Å; A195-P199 VanDerWaalsContact O-CA 3.24Å; A195-P199 WeakPolarHBondContact O-CA 3.47Å; A195-P199 WeakPolarHBondContact O-CB 3.47Å; A195-I204 HydrophobicContact CB-CG2 3.72Å
196T71.4Confident70.9Confident88 Ų8854.1 Ų54.154%0.5430%0.295SS..Hα-helixtrans-71.5-47.3180-60.80000111.3E192 E193 H194E192-T196 VanDerWaalsContact O-CB 3.22Å; E192-T196 WeakPolarHBondContact O-CB 3.5Å; E192-T196 PolarHBondContact O-N 3.43Å; E192-T196 PolarHBondContact O-OG1 3.24Å; E193-T196 PolarHBondContact O-N 3.06Å; H194-T196 VanDerWaalsContact C-N 3.32Å; H194-T196 PolarHBondContact O-N 2.84Å
197H65.7Low69.2Low102 Ų10251 Ų5147%0.47228%0.276SS..Hα-helixtrans-81.2-33.4-176.7-70.389.2000113L181 E193L181-H197 HydrophobicContact CD2-CB 4.01Å; E193-H197 WeakPolarHBondContact O-CB 3.32Å; E193-H197 PolarHBondContact O-N 2.84Å; E193-H197 PolarHBondContact O-ND1 3.21Å; E193-H197 IonicContact OE2-CE1 3.03Å; E193-H197 PolarHBondContact OE2-CE1 3.21Å; E193-H197 IonicContact OE2-ND1 2.74Å; E193-H197 PolarHBondContact OE2-ND1 3.06Å
198F70.4Confident68Low44 Ų4455 Ų5519%0.19328%0.281CS..  trans-13363.5-176.1-45.3-61.1000112.1N179 L181 H194 N200 C201N179-F198 HydrophobicContact CB-CD1 3.64Å; N179-F198 HydrophobicContact CB-CD2 3.66Å; N179-F198 HydrophobicContact CB-CE1 3.54Å; N179-F198 HydrophobicContact CB-CE2 3.52Å; N179-F198 HydrophobicContact CB-CG 3.73Å; N179-F198 HydrophobicContact CB-CZ 3.49Å; N179-F198 VanDerWaalsContact CB-CZ 3.49Å; N179-F198 WeakPolarHBondContact ND2-CD1 3.45Å; L181-F198 HydrophobicContact CD1-CE2 4.5Å; L181-F198 HydrophobicContact CD2-CE2 3.51Å; L181-F198 HydrophobicContact CD2-CZ 3.92Å; L181-F198 HydrophobicContact CG-CE2 3.8Å; H194-F198 AromaticContact CD2-CD2 3.98Å; H194-F198 CarbonylContact O-C 3.55Å; H194-F198 WeakPolarHBondContact O-CA 3.47Å; H194-F198 PolarHBondContact O-N 3.41Å; F198-N200 PolarHBondContact O-N 3.02Å; F198-C201 VanDerWaalsContact O-CB 3.29Å; F198-C201 WeakPolarHBondContact O-CB 3.4Å; F198-C201 PolarHBondContact O-N 2.7Å
199P59.6Low67.2Low61 Ų6153.4 Ų53.440%0.39627%0.273SS..THydrogen-bonded Turntrans-62.9-19.6-174.124.7-35.4000114A195 C201 L205A195-P199 VanDerWaalsContact O-CA 3.24Å; A195-P199 WeakPolarHBondContact O-CA 3.47Å; A195-P199 WeakPolarHBondContact O-CB 3.47Å; P199-C201 VanDerWaalsContact C-N 3.33Å; P199-L205 WeakPolarHBondContact O-CD2 3.44Å
200N53.5Low66.4Low133 Ų13350.1 Ų50.171%0.71127%0.268SS*.THydrogen-bonded Turntrans-90.37.7179.2-61.9-42.3000113.5F198 F202F198-N200 PolarHBondContact O-N 3.02Å; N200-F202 PolarHBondContact O-N 2.67Å
201C67.3Low66Low3 Ų351.9 Ų51.92%0.0228%0.277CS..  trans-66.8125.6176.3177.30000110.3C177 H194 F198 P199 F203 I204 L205C177-C201 HydrophobicContact CB-CB 3.83Å; C177-C201 VanDerWaalsContact CB-SG 3.56Å; H194-C201 PolarHBondContact NE2-SG 2.97Å; F198-C201 VanDerWaalsContact O-CB 3.29Å; F198-C201 WeakPolarHBondContact O-CB 3.4Å; F198-C201 PolarHBondContact O-N 2.7Å; P199-C201 VanDerWaalsContact C-N 3.33Å; C201-F203 PolarHBondContact O-N 3.4Å; C201-I204 HydrophobicContact CB-CB 4.03Å; C201-I204 HydrophobicContact CB-CG1 3.93Å; C201-I204 PolarHBondContact O-N 3.14Å; C201-L205 WeakPolarHBondContact O-CB 3.45Å; C201-L205 WeakPolarHBondContact O-CG 3.22Å; C201-L205 PolarHBondContact O-N 3.2Å
202F61Low65.8Low72 Ų7254.2 Ų54.232%0.31630%0.295SS..THydrogen-bonded Turntrans-61.9-30.7-176.7-81.624.5000112.9Y128 N200 L205 G206 H207 V209Y128-F202 HydrophobicContact CD1-CB 4Å; Y128-F202 HydrophobicContact CD1-CD2 4.27Å; Y128-F202 HydrophobicContact CD1-CG 4.17Å; Y128-F202 HydrophobicContact CD2-CB 4.44Å; Y128-F202 AromaticContact CD2-CD2 3.22Å; Y128-F202 HydrophobicContact CD2-CD2 3.22Å; Y128-F202 AromaticContact CD2-CE2 3.44Å; Y128-F202 HydrophobicContact CD2-CE2 3.44Å; Y128-F202 VanDerWaalsContact CD2-CE2 3.44Å; Y128-F202 AromaticContact CD2-CG 3.87Å; Y128-F202 HydrophobicContact CD2-CG 3.87Å; Y128-F202 HydrophobicContact CD2-CZ 4.23Å; Y128-F202 HydrophobicContact CE1-CB 4.25Å; Y128-F202 HydrophobicContact CE1-CD1 4.45Å; Y128-F202 HydrophobicContact CE1-CD2 4.47Å; Y128-F202 HydrophobicContact CE1-CG 4.15Å; Y128-F202 HydrophobicContact CE2-CD1 4.14Å; Y128-F202 AromaticContact CE2-CD2 3.5Å; Y128-F202 HydrophobicContact CE2-CD2 3.5Å; Y128-F202 HydrophobicContact CE2-CE1 4.08Å; Y128-F202 AromaticContact CE2-CE2 3.42Å; Y128-F202 HydrophobicContact CE2-CE2 3.42Å; Y128-F202 VanDerWaalsContact CE2-CE2 3.42Å; Y128-F202 AromaticContact CE2-CG 3.87Å; Y128-F202 HydrophobicContact CE2-CG 3.87Å; Y128-F202 AromaticContact CE2-CZ 3.73Å; Y128-F202 HydrophobicContact CE2-CZ 3.73Å; Y128-F202 HydrophobicContact CG-CB 4.07Å; Y128-F202 AromaticContact CG-CD2 3.65Å; Y128-F202 HydrophobicContact CG-CD2 3.65Å; Y128-F202 HydrophobicContact CG-CE2 4.32Å; Y128-F202 HydrophobicContact CG-CG 4Å; Y128-F202 AromaticContact CZ-CG 4Å; N200-F202 PolarHBondContact O-N 2.67Å; F202-L205 HydrophobicContact CD1-CD1 4.36Å; F202-L205 CarbonylContact O-C 3.28Å; F202-G206 PolarHBondContact O-N 3.43Å; F202-H207 HydrophobicContact CB-CB 4.1Å; F202-H207 HydrophobicContact CD2-CB 4.49Å; F202-H207 AromaticContact CG-CD2 3.97Å; F202-H207 WeakPolarHBondContact O-CB 3.16Å; F202-H207 PolarHBondContact O-N 3.09Å; F202-V209 HydrophobicContact CB-CG1 3.85Å
203F70.4Confident65.6Low16 Ų1653.1 Ų53.17%0.0729%0.294CS..THydrogen-bonded Turntrans-67.9-39.7173-178.5-114.9000112.6F175 C176 W191 C201 G206 V209 N211F175-F203 HydrophobicContact CE1-CB 4.42Å; F175-F203 AromaticContact CE1-CD1 3.97Å; F175-F203 HydrophobicContact CE1-CD1 3.97Å; F175-F203 AromaticContact CE1-CD2 3.82Å; F175-F203 HydrophobicContact CE1-CD2 3.82Å; F175-F203 HydrophobicContact CE1-CE1 4.13Å; F175-F203 AromaticContact CE1-CE2 3.99Å; F175-F203 HydrophobicContact CE1-CE2 3.99Å; F175-F203 AromaticContact CE1-CG 3.8Å; F175-F203 HydrophobicContact CE1-CG 3.8Å; F175-F203 HydrophobicContact CE1-CZ 4.14Å; F175-F203 AromaticContact CZ-CD2 3.72Å; F175-F203 HydrophobicContact CZ-CD2 3.72Å; F175-F203 AromaticContact CZ-CE2 4Å; F175-F203 HydrophobicContact CZ-CE2 4Å; F175-F203 HydrophobicContact CZ-CG 4.08Å; C176-F203 HydrophobicContact CB-CB 3.45Å; C176-F203 VanDerWaalsContact CB-CB 3.45Å; C176-F203 HydrophobicContact CB-CG 4.32Å; C176-F203 VanDerWaalsContact SG-CB 3.57Å; C176-F203 PolarHBondContact SG-N 3.02Å; W191-F203 HydrophobicContact CH2-CD1 4.1Å; W191-F203 AromaticContact CH2-CE1 3.46Å; W191-F203 HydrophobicContact CH2-CE1 3.46Å; W191-F203 VanDerWaalsContact CH2-CE1 3.46Å; W191-F203 HydrophobicContact CH2-CE2 4.36Å; W191-F203 AromaticContact CH2-CZ 3.62Å; W191-F203 HydrophobicContact CH2-CZ 3.62Å; W191-F203 HydrophobicContact CZ2-CE1 4.5Å; W191-F203 HydrophobicContact CZ3-CD1 4.44Å; W191-F203 AromaticContact CZ3-CE1 3.48Å; W191-F203 HydrophobicContact CZ3-CE1 3.48Å; W191-F203 VanDerWaalsContact CZ3-CE1 3.48Å; W191-F203 AromaticContact CZ3-CZ 3.73Å; W191-F203 HydrophobicContact CZ3-CZ 3.73Å; C201-F203 PolarHBondContact O-N 3.4Å; F203-G206 PolarHBondContact O-N 2.67Å; F203-V209 HydrophobicContact CB-CG2 4.19Å; F203-V209 HydrophobicContact CD2-CG2 3.83Å; F203-V209 HydrophobicContact CG-CG2 4.47Å; F203-N211 HydrophobicContact CD2-CB 4.4Å; F203-N211 HydrophobicContact CE2-CB 3.89Å
204I73.6Confident65.4Low7 Ų752.6 Ų52.64%0.03629%0.293CS..THydrogen-bonded Turntrans-70-38.5174.8-68.3-60.3000111.5W191 H194 A195 C201 G206W191-I204 HydrophobicContact CD2-CD1 4.18Å; W191-I204 HydrophobicContact CG-CD1 4.47Å; W191-I204 HydrophobicContact CZ2-CD1 3.99Å; H194-I204 HydrophobicContact CB-CD1 3.86Å; H194-I204 HydrophobicContact CB-CG1 4.27Å; A195-I204 HydrophobicContact CB-CG2 3.72Å; C201-I204 HydrophobicContact CB-CB 4.03Å; C201-I204 HydrophobicContact CB-CG1 3.93Å; C201-I204 PolarHBondContact O-N 3.14Å; I204-G206 PolarHBondContact O-N 3.35Å; I204-G206 VanDerWaalsContact O-N 3.15Å
205L50.5Low64.2Low57 Ų5759.4 Ų59.430%0.29833%0.328SS..THydrogen-bonded Turntrans-72.65.4175.1-67.3175.6000113.3P199 C201 F202 H207 N312P199-L205 WeakPolarHBondContact O-CD2 3.44Å; C201-L205 WeakPolarHBondContact O-CB 3.45Å; C201-L205 WeakPolarHBondContact O-CG 3.22Å; C201-L205 PolarHBondContact O-N 3.2Å; F202-L205 HydrophobicContact CD1-CD1 4.36Å; F202-L205 CarbonylContact O-C 3.28Å; L205-H207 VanDerWaalsContact C-N 3.3Å; L205-H207 PolarHBondContact O-N 3.15Å; L205-N312 PolarHBondContact O-OD1 2.94Å
206G48.5Very low63.4Low7 Ų764 Ų647%0.07235%0.349CS..THydrogen-bonded Turntrans69.720.4174.200000115F202 F203 I204F202-G206 PolarHBondContact O-N 3.43Å; F203-G206 PolarHBondContact O-N 2.67Å; I204-G206 PolarHBondContact O-N 3.35Å; I204-G206 VanDerWaalsContact O-N 3.15Å
207H46.8Very low62.2Low86 Ų8666.8 Ų66.840%0.39836%0.36SS..  trans-71.6146.3171.4-67.9-87.6000110.7F202 L205 V209F202-H207 HydrophobicContact CB-CB 4.1Å; F202-H207 HydrophobicContact CD2-CB 4.49Å; F202-H207 AromaticContact CG-CD2 3.97Å; F202-H207 WeakPolarHBondContact O-CB 3.16Å; F202-H207 PolarHBondContact O-N 3.09Å; L205-H207 VanDerWaalsContact C-N 3.3Å; L205-H207 PolarHBondContact O-N 3.15Å; H207-V209 HydrophobicContact CB-CG1 4.27Å; H207-V209 PolarHBondContact O-N 3.06Å
208D56.3Low60.9Low156 Ų15666.5 Ų66.583%0.83437%0.37SS*.  trans-68.3103.3167.7-177.27.2000109.5G210D208-G210 PolarHBondContact OD1-N 3.36Å
209V66.4Low59.7Low7 Ų772.2 Ų72.24%0.04240%0.403CS..  trans-106.813.9177-59.90000111.7P129 F175 F202 F203 H207 N211P129-V209 VanDerWaalsContact CD-O 3.23Å; P129-V209 WeakPolarHBondContact CD-O 3.45Å; P129-V209 WeakPolarHBondContact CG-O 3.05Å; F175-V209 HydrophobicContact CE2-CG2 3.97Å; F175-V209 HydrophobicContact CZ-CG2 3.7Å; F202-V209 HydrophobicContact CB-CG1 3.85Å; F203-V209 HydrophobicContact CB-CG2 4.19Å; F203-V209 HydrophobicContact CD2-CG2 3.83Å; F203-V209 HydrophobicContact CG-CG2 4.47Å; H207-V209 HydrophobicContact CB-CG1 4.27Å; H207-V209 PolarHBondContact O-N 3.06Å; V209-N211 VanDerWaalsContact C-N 3.35Å; V209-N211 HydrophobicContact CG2-CB 4.47Å; V209-N211 PolarHBondContact O-N 2.95Å
210G61.8Low58.4Low26 Ų2677.6 Ų77.627%0.26842%0.422SS..  trans65.334-176.200000113.8K135 D208K135-G210 WeakPolarHBondContact CB-O 3.33Å; K135-G210 WeakPolarHBondContact CD-O 3.45Å; K135-G210 VanDerWaalsContact CG-O 3.31Å; K135-G210 WeakPolarHBondContact CG-O 3.47Å; D208-G210 PolarHBondContact OD1-N 3.36Å
211N76.9Confident57.5Low44 Ų4476.8 Ų76.824%0.23542%0.424CS..  trans-63.8133.5170.2-176.751.6000109.6K135 R140 F175 F203 V209 P213K135-N211 PolarHBondContact O-OD1 3.1Å; K135-N211 VanDerWaalsContact O-OD1 3.13Å; R140-N211 PolarHBondContact NH1-OD1 3.25Å; R140-N211 PolarHBondContact NH2-OD1 3.44Å; F175-N211 HydrophobicContact CE2-CB 4.41Å; F175-N211 HydrophobicContact CZ-CB 3.89Å; F203-N211 HydrophobicContact CD2-CB 4.4Å; F203-N211 HydrophobicContact CE2-CB 3.89Å; V209-N211 VanDerWaalsContact C-N 3.35Å; V209-N211 HydrophobicContact CG2-CB 4.47Å; V209-N211 PolarHBondContact O-N 2.95Å; N211-P213 WeakPolarHBondContact O-CD 3.49Å
212V77.6Confident56Low82 Ų8284.8 Ų84.850%0.49746%0.464SS..BIsolated β-bridgetrans-106.9103.2173.2-178.80000107.1K135 E137K135-V212 PolarHBondContact O-N 2.88Å; E137-V212 WeakPolarHBondContact CB-O 3.4Å; E137-V212 PolarHBondContact N-O 3Å
213P72.9Confident54.8Low49 Ų4989.5 Ų89.532%0.31849%0.491SS..  trans-68.5156.5-178.329.2-34.3000110.9E137 N211 L215E137-P213 WeakPolarHBondContact OE2-CA 3.39Å; N211-P213 WeakPolarHBondContact O-CD 3.49Å; P213-L215 PolarHBondContact O-N 3.39Å; P213-L215 VanDerWaalsContact O-N 3.08Å
214L77.4Confident53.2Low36 Ų3696.9 Ų96.919%0.18853%0.526CS..  trans-67.5104170.1-116.1147.8000108.6E137 Q138 L141 D216E137-L214 HydrophobicContact CB-CB 4.24Å; E137-L214 HydrophobicContact CB-CD1 4.16Å; E137-L214 HydrophobicContact CB-CG 4.36Å; E137-L214 HydrophobicContact CG-CB 4.29Å; E137-L214 HydrophobicContact CG-CD1 3.89Å; E137-L214 HydrophobicContact CG-CG 4.49Å; E137-L214 PolarHBondContact OE2-N 3.13Å; Q138-L214 HydrophobicContact CB-CD1 4.45Å; Q138-L214 HydrophobicContact CB-CG 4.22Å; L141-L214 HydrophobicContact CB-CD1 4.41Å; L141-L214 HydrophobicContact CD2-CD1 3.85Å; L214-D216 PolarHBondContact O-N 3.02Å
215L55.9Low51.1Low143 Ų143104.3 Ų104.375%0.74957%0.566SS**  trans-77.4110.1168.4-64.8173.2000107P213 N217P213-L215 PolarHBondContact O-N 3.39Å; P213-L215 VanDerWaalsContact O-N 3.08Å; L215-N217 VanDerWaalsContact C-N 3.25Å; L215-N217 PolarHBondContact O-N 3.34Å
216D46.8Very low50.5Low124 Ų124108.8 Ų108.866%0.66359%0.585SS**  trans-66.389173.6-115.714.7000108.5R156 L214R156-D216 IonicContact NH1-OD1 2.82Å; R156-D216 IonicContact NH2-OD1 3.04Å; L214-D216 PolarHBondContact O-N 3.02Å
217N46.6Very low49.9Very low147 Ų147115.7 Ų115.779%0.78662%0.62SS**  trans-133.875.8168-95.6-27.3000108L215L215-N217 VanDerWaalsContact C-N 3.25Å; L215-N217 PolarHBondContact O-N 3.34Å
218S39.6Very low49.3Very low97 Ų97117.2 Ų117.268%0.67864%0.635SS**  trans162.5117.4137.857.10000110.8E220S218-E220 PolarHBondContact O-N 3.02Å
219D43.3Very low48.4Very low164 Ų164116.4 Ų116.488%0.87763%0.631SS**  3481.4119.6-54-45.5000116.4
220E33Very low47.1Very low174 Ų174124.1 Ų124.181%0.81367%0.667SS**  trans-107.9134143.9-118.3-138.3148.100108.3S218 M222S218-E220 PolarHBondContact O-N 3.02Å; E220-M222 PolarHBondContact O-N 3.35Å
221P34.6Very low46.1Very low116 Ų116127.2 Ų127.275%0.75370%0.698SS**  trans-71.699.5-171.829.2-31000109L223P221-L223 PolarHBondContact O-N 3.36Å; P221-L223 VanDerWaalsContact O-N 3.08Å
222M36.4Very low44.9Very low171 Ų171131 Ų13184%0.84271%0.709SS**  trans-54.8115.5160.4-69.1-1096300107E220 E224E220-M222 PolarHBondContact O-N 3.35Å; M222-E224 PolarHBondContact O-N 3.45Å
223L36.2Very low44.1Very low170 Ų170131.1 Ų131.189%0.8971%0.707SS**  trans-46.6118.9171.5-72.4165.4000108.3P221 D225P221-L223 PolarHBondContact O-N 3.36Å; P221-L223 VanDerWaalsContact O-N 3.08Å; L223-D225 PolarHBondContact O-N 3.4Å
224E35Very low44.2Very low172 Ų172130.7 Ų130.780%0.80470%0.701SS**  trans-52.3118.4-173.8-65.4174.1167.100110.3M222M222-E224 PolarHBondContact O-N 3.45Å
225D30Very low43.8Very low163 Ų163135.5 Ų135.587%0.87272%0.723SS**  trans-113.5120.5148.5-142-10.4000108.2L223L223-D225 PolarHBondContact O-N 3.4Å
226Q38.9Very low45.1Very low151 Ų151131.5 Ų131.571%0.70670%0.704SS**  trans-76.9141.1-166.7-65.9178-16.400110.3
227N35.6Very low46.9Very low152 Ų152128.4 Ų128.481%0.81369%0.685SS**  trans74.5104.9172.1-76.2-46.6000116.7
228V34.4Very low48.8Very low117 Ų117127.7 Ų127.771%0.70968%0.677SS**  178.4126.289164.20000110.2
229N36.3Very low50.9Low139 Ų139123.5 Ų123.574%0.74365%0.649SS**  trans76.399.4156.3-70.8-22.4000122
230Q40.1Very low53.2Low170 Ų170116.1 Ų116.179%0.79461%0.609SS**  trans43.7106134.7-78.9169-6.400117.5R232Q230-R232 PolarHBondContact O-N 3.47Å
231G41.5Very low55.9Low90 Ų90110.9 Ų110.993%0.92859%0.586SS**  trans-49.8100.6169.100000112.1
232R50.2Low58.4Low124 Ų124107.4 Ų107.447%0.46856%0.564SS.*  trans-88.1110.2168.9-76.5174.6174.5170.6-8.9106.5Q230 M234 S242Q230-R232 PolarHBondContact O-N 3.47Å; R232-M234 HydrophobicContact CB-CE 3.28Å; R232-M234 HydrophobicContact CB-SD 4.15Å; R232-M234 HydrophobicContact CG-CE 4.19Å; R232-M234 PolarHBondContact O-N 2.93Å; R232-S242 PolarHBondContact NE-OG 3.35Å; R232-S242 PolarHBondContact NH2-O 3.32Å
233N61.6Low60.8Low84 Ų8499.7 Ų99.745%0.44953%0.528SS..  trans-65.1103.1170.7-178-23.5000108.5E235 T236N233-E235 PolarHBondContact ND2-OE2 3.4Å; N233-E235 PolarHBondContact O-N 3.28Å; N233-E235 WeakPolarHBondContact OD1-CA 3.48Å; N233-E235 WeakPolarHBondContact OD1-CB 3.37Å; N233-E235 WeakPolarHBondContact OD1-CG 3.29Å; N233-E235 PolarHBondContact OD1-N 3.34Å; N233-E235 PolarHBondContact OD1-OE2 2.96Å; N233-T236 PolarHBondContact O-N 3.21Å; N233-T236 PolarHBondContact O-OG1 2.87Å
234M74.4Confident63.3Low40 Ų4091.7 Ų91.720%0.19749%0.486CS..THydrogen-bonded Turntrans-77.6-3.3-179.3-61.2-55172.300113.7R232 T236 R240 Y262 F273R232-M234 HydrophobicContact CB-CE 3.28Å; R232-M234 HydrophobicContact CB-SD 4.15Å; R232-M234 HydrophobicContact CG-CE 4.19Å; R232-M234 PolarHBondContact O-N 2.93Å; M234-T236 VanDerWaalsContact C-N 3.26Å; M234-R240 HydrophobicContact CB-CG 4.31Å; M234-R240 WeakPolarHBondContact O-CD 3.46Å; M234-R240 WeakPolarHBondContact O-CG 3.31Å; M234-R240 PolarHBondContact O-NH1 3.02Å; M234-R240 HydrophobicContact SD-CG 4.41Å; M234-Y262 HydrophobicContact CB-CD1 4.18Å; M234-Y262 HydrophobicContact CB-CE1 4.46Å; M234-Y262 HydrophobicContact CB-CG 4.5Å; M234-Y262 HydrophobicContact CE-CD2 4.21Å; M234-Y262 HydrophobicContact CG-CD1 4.15Å; M234-Y262 HydrophobicContact CG-CD2 4.21Å; M234-Y262 HydrophobicContact CG-CE1 4.41Å; M234-Y262 HydrophobicContact CG-CE2 4.46Å; M234-Y262 HydrophobicContact CG-CG 4.05Å; M234-Y262 HydrophobicContact SD-CD2 4.17Å; M234-Y262 HydrophobicContact SD-CG 3.98Å; M234-F273 HydrophobicContact CB-CB 4.04Å; M234-F273 VanDerWaalsContact O-CB 3.24Å; M234-F273 WeakPolarHBondContact O-CB 3.32Å; M234-F273 WeakPolarHBondContact O-CG 3.24Å
235E70.3Confident65.5Low137 Ų13786.6 Ų86.664%0.6447%0.473SS*.THydrogen-bonded Turntrans-67.3-33170.3-52.8171.4148.400110.4N233 R240 F273N233-E235 PolarHBondContact ND2-OE2 3.4Å; N233-E235 PolarHBondContact O-N 3.28Å; N233-E235 WeakPolarHBondContact OD1-CA 3.48Å; N233-E235 WeakPolarHBondContact OD1-CB 3.37Å; N233-E235 WeakPolarHBondContact OD1-CG 3.29Å; N233-E235 PolarHBondContact OD1-N 3.34Å; N233-E235 PolarHBondContact OD1-OE2 2.96Å; E235-R240 PolarHBondContact O-NH1 3.04Å; E235-F273 HydrophobicContact CB-CD2 4.46Å
236T82.4Confident67.8Low59 Ų5987.8 Ų87.836%0.36247%0.473SS..SBendtrans-80.8142178.566.10000112N233 M234 E238 G239 R240N233-T236 PolarHBondContact O-N 3.21Å; N233-T236 PolarHBondContact O-OG1 2.87Å; M234-T236 VanDerWaalsContact C-N 3.26Å; T236-E238 VanDerWaalsContact C-N 3.29Å; T236-E238 PolarHBondContact O-N 3.29Å; T236-G239 PolarHBondContact O-N 3.29Å; T236-G239 WeakPolarHBondContact OG1-CA 3.49Å; T236-G239 PolarHBondContact OG1-N 3.38Å; T236-R240 WeakPolarHBondContact O-CG 3.48Å; T236-R240 PolarHBondContact O-N 3.05Å; T236-R240 VanDerWaalsContact O-N 3.1Å
237F85.1Confident69.9Low59 Ų5981.6 Ų81.626%0.25945%0.445SS..Hα-helixtrans-57.5-43.2174.2167.8-107000111.7G239 R240 L241 E254 A257 R258F237-G239 PolarHBondContact O-N 3.33Å; F237-R240 PolarHBondContact O-N 3.3Å; F237-L241 HydrophobicContact CE1-CD2 4.26Å; F237-L241 HydrophobicContact CZ-CD2 4.12Å; F237-L241 WeakPolarHBondContact O-CB 3.27Å; F237-L241 PolarHBondContact O-N 2.8Å; F237-E254 HydrophobicContact CE2-CG 4.38Å; F237-E254 HydrophobicContact CZ-CG 3.78Å; F237-A257 HydrophobicContact CD2-CB 3.92Å; F237-A257 HydrophobicContact CE2-CB 3.6Å; F237-R258 HydrophobicContact CD2-CG 4.15Å; F237-R258 HydrophobicContact CE2-CB 4.34Å; F237-R258 HydrophobicContact CE2-CG 3.51Å; F237-R258 HydrophobicContact CZ-CG 4.13Å
238E86.3Confident72Confident132 Ų13285.8 Ų85.862%0.61745%0.45SS*.Hα-helixtrans-64.5-39.9178.7-6575.9-166.600111.9T236 L241 S242T236-E238 VanDerWaalsContact C-N 3.29Å; T236-E238 PolarHBondContact O-N 3.29Å; E238-L241 PolarHBondContact O-N 3.17Å; E238-S242 WeakPolarHBondContact O-CB 3.46Å; E238-S242 PolarHBondContact O-N 3.09Å
239G83.9Confident74.5Confident9 Ų981.3 Ų81.39%0.09342%0.421CS..Hα-helixtrans-58.6-47.6174.600000111.4T236 F237 S242 S243T236-G239 PolarHBondContact O-N 3.29Å; T236-G239 WeakPolarHBondContact OG1-CA 3.49Å; T236-G239 PolarHBondContact OG1-N 3.38Å; F237-G239 PolarHBondContact O-N 3.33Å; G239-S242 PolarHBondContact O-N 2.97Å; G239-S242 PolarHBondContact O-OG 2.99Å; G239-S243 PolarHBondContact O-N 2.87Å
240R91.8Very high76.8Confident10 Ų1077.4 Ų77.44%0.03840%0.403CS..Hα-helixtrans-64.3-46175.8-64.4-164.6-63.1-83.54.9112.7M234 E235 T236 F237 S242 S243 F244 A257 G260 F273M234-R240 HydrophobicContact CB-CG 4.31Å; M234-R240 WeakPolarHBondContact O-CD 3.46Å; M234-R240 WeakPolarHBondContact O-CG 3.31Å; M234-R240 PolarHBondContact O-NH1 3.02Å; M234-R240 HydrophobicContact SD-CG 4.41Å; E235-R240 PolarHBondContact O-NH1 3.04Å; T236-R240 WeakPolarHBondContact O-CG 3.48Å; T236-R240 PolarHBondContact O-N 3.05Å; T236-R240 VanDerWaalsContact O-N 3.1Å; F237-R240 PolarHBondContact O-N 3.3Å; R240-S242 VanDerWaalsContact C-N 3.26Å; R240-S242 PolarHBondContact O-N 3.02Å; R240-S243 VanDerWaalsContact O-CB 3.24Å; R240-S243 WeakPolarHBondContact O-CB 3.35Å; R240-S243 PolarHBondContact O-N 2.93Å; R240-S243 PolarHBondContact O-OG 3.21Å; R240-F244 VanDerWaalsContact O-CD2 3.28Å; R240-F244 WeakPolarHBondContact O-CD2 3.08Å; R240-F244 WeakPolarHBondContact O-CE2 3.42Å; R240-A257 HydrophobicContact CB-CB 4.04Å; R240-A257 PolarHBondContact NE-O 3.03Å; R240-A257 PolarHBondContact NH2-O 2.74Å; R240-G260 WeakPolarHBondContact CD-O 3.26Å; R240-F273 VanDerWaalsContact NH1-CD1 3.34Å
241L89.6Confident79.1Confident63 Ų6369.4 Ų69.433%0.3337%0.366SS..Hα-helixtrans-60.8-38.5179.3-174.559.3000111.7F237 E238 S243 F244 H253 A257F237-L241 HydrophobicContact CE1-CD2 4.26Å; F237-L241 HydrophobicContact CZ-CD2 4.12Å; F237-L241 WeakPolarHBondContact O-CB 3.27Å; F237-L241 PolarHBondContact O-N 2.8Å; E238-L241 PolarHBondContact O-N 3.17Å; L241-S243 PolarHBondContact O-N 3.38Å; L241-F244 PolarHBondContact O-N 3.47Å; L241-F244 VanDerWaalsContact O-N 3.15Å; L241-H253 HydrophobicContact CD1-CB 4.08Å; L241-A257 HydrophobicContact CB-CB 3.99Å; L241-A257 HydrophobicContact CD1-CB 4.21Å
242S86.5Confident81.5Confident43 Ų4369.3 Ų69.330%0.30134%0.344SS..Hα-helixtrans-64.4-22.8177.381.10000113.6R232 E238 G239 R240 F244 A245R232-S242 PolarHBondContact NE-OG 3.35Å; R232-S242 PolarHBondContact NH2-O 3.32Å; E238-S242 WeakPolarHBondContact O-CB 3.46Å; E238-S242 PolarHBondContact O-N 3.09Å; G239-S242 PolarHBondContact O-N 2.97Å; G239-S242 PolarHBondContact O-OG 2.99Å; R240-S242 VanDerWaalsContact C-N 3.26Å; R240-S242 PolarHBondContact O-N 3.02Å; S242-F244 PolarHBondContact O-N 3.24Å; S242-A245 WeakPolarHBondContact O-CB 3.32Å; S242-A245 PolarHBondContact O-N 3.08Å
243S87.3Confident83.4Confident10 Ų1065.7 Ų65.77%0.0733%0.333CS..Hα-helixtrans-63.2-24.8176770000112.7G239 R240 L241 Y262 S263G239-S243 PolarHBondContact O-N 2.87Å; R240-S243 VanDerWaalsContact O-CB 3.24Å; R240-S243 WeakPolarHBondContact O-CB 3.35Å; R240-S243 PolarHBondContact O-N 2.93Å; R240-S243 PolarHBondContact O-OG 3.21Å; L241-S243 PolarHBondContact O-N 3.38Å; S243-Y262 WeakPolarHBondContact OG-CA 3.38Å; S243-Y262 WeakPolarHBondContact OG-CB 3.12Å; S243-S263 PolarHBondContact OG-N 2.88Å
244F88.5Confident84.7Confident2 Ų265.4 Ų65.41%0.00933%0.328CS..THydrogen-bonded Turntrans-91.72.4-177.5-61.2-84.5000114.4R240 L241 S242 H246 V247 H253 L256 A257 F261 V270R240-F244 VanDerWaalsContact O-CD2 3.28Å; R240-F244 WeakPolarHBondContact O-CD2 3.08Å; R240-F244 WeakPolarHBondContact O-CE2 3.42Å; L241-F244 PolarHBondContact O-N 3.47Å; L241-F244 VanDerWaalsContact O-N 3.15Å; S242-F244 PolarHBondContact O-N 3.24Å; F244-H246 PolarHBondContact O-N 3.43Å; F244-V247 PolarHBondContact O-N 3.29Å; F244-V247 VanDerWaalsContact O-N 3.12Å; F244-H253 HydrophobicContact CB-CB 3.76Å; F244-H253 VanDerWaalsContact CB-CG 3.49Å; F244-H253 WeakPolarHBondContact CB-ND1 3.4Å; F244-H253 HydrophobicContact CD1-CB 4.43Å; F244-H253 AromaticContact CD1-CD2 3.88Å; F244-H253 HydrophobicContact CD2-CB 4.22Å; F244-H253 HydrophobicContact CG-CB 3.91Å; F244-H253 AromaticContact CG-CG 3.89Å; F244-L256 HydrophobicContact CE1-CB 4.4Å; F244-L256 HydrophobicContact CE1-CD1 3.88Å; F244-L256 HydrophobicContact CE2-CB 4.25Å; F244-L256 HydrophobicContact CZ-CB 3.8Å; F244-L256 HydrophobicContact CZ-CD1 4.12Å; F244-A257 HydrophobicContact CE2-CB 4.45Å; F244-F261 WeakPolarHBondContact CE2-O 3.25Å; F244-V270 HydrophobicContact CE1-CG1 3.72Å; F244-V270 HydrophobicContact CZ-CG1 3.97Å
245A81.6Confident85.6Confident65 Ų6567.5 Ų67.554%0.53733%0.334SS..THydrogen-bonded Turntrans-56.4-24.1-171.900000114.9S242S242-A245 WeakPolarHBondContact O-CB 3.32Å; S242-A245 PolarHBondContact O-N 3.08Å
246H78.1Confident86.6Confident187 Ų18761 Ų6187%0.86630%0.304SS*.THydrogen-bonded Turntrans-129.617.2179.5-57.9-46000113.6F244F244-H246 PolarHBondContact O-N 3.43Å
247V82Confident87Confident21 Ų2158.2 Ų58.213%0.12729%0.286CS..  trans-103.4139.4-178.8-178.30000108.5F244 H253 S263F244-V247 PolarHBondContact O-N 3.29Å; F244-V247 VanDerWaalsContact O-N 3.12Å; V247-H253 PolarHBondContact O-CE1 2.91Å; V247-H253 PolarHBondContact O-NE2 2.92Å; V247-S263 WeakPolarHBondContact CG2-OG 3.34Å
248R80Confident87.3Confident241 Ų24162.1 Ų62.191%0.90930%0.3SS*.  trans-100.2109170.9-71.3-176-178.1171.91.3107.8
249H86.6Confident87.5Confident23 Ų2355.9 Ų55.911%0.10627%0.27CS..  trans-117.9141179.5-162.7-80000110.6V251 H253 L256 D268 W282H249-V251 VanDerWaalsContact C-N 3.33Å; H249-V251 PolarHBondContact ND1-N 2.86Å; H249-V251 PolarHBondContact ND1-O 3.22Å; H249-V251 VanDerWaalsContact ND1-O 3.09Å; H249-H253 WeakPolarHBondContact CB-NE2 3.38Å; H249-L256 HydrophobicContact CB-CD1 4.45Å; H249-L256 VanDerWaalsContact CE1-CD1 3.48Å; H249-L256 WeakPolarHBondContact CE1-CD1 3.36Å; H249-L256 WeakPolarHBondContact ND1-CD1 3.48Å; H249-D268 PolarHBondContact CD2-O 3.41Å; H249-D268 PolarHBondContact NE2-O 3.3Å; H249-W282 AromaticContact CE1-CD1 3.49Å; H249-W282 VanDerWaalsContact CE1-CD1 3.49Å; H249-W282 AromaticContact CE1-CD2 3.98Å; H249-W282 AromaticContact CE1-CG 3.43Å; H249-W282 VanDerWaalsContact CE1-CG 3.43Å; H249-W282 AromaticContact NE2-CD1 3.18Å; H249-W282 AromaticContact NE2-CG 3.64Å; H249-W282 AromaticContact NE2-NE1 3.61Å
250P85.1Confident87.8Confident56 Ų5655.4 Ų55.436%0.36427%0.266SS..SBendtrans-67.9-31.2179.524.9-34.1000113.3W282 P284P250-W282 HydrophobicContact CG-CB 3.75Å; P250-W282 WeakPolarHBondContact CG-O 3.44Å; P250-P284 HydrophobicContact CB-CG 4.13Å
251V89Confident87.9Confident2 Ų255 Ų551%0.01226%0.264CS..SBendtrans-93.6143.9173.4-177.30000110.9H249 H253 L256 W282 Q283 P288H249-V251 VanDerWaalsContact C-N 3.33Å; H249-V251 PolarHBondContact ND1-N 2.86Å; H249-V251 PolarHBondContact ND1-O 3.22Å; H249-V251 VanDerWaalsContact ND1-O 3.09Å; V251-H253 PolarHBondContact O-N 2.9Å; V251-L256 HydrophobicContact CB-CD1 4.31Å; V251-L256 HydrophobicContact CB-CG 4.48Å; V251-L256 HydrophobicContact CG1-CG 4.26Å; V251-W282 HydrophobicContact CG2-CB 4.07Å; V251-W282 HydrophobicContact CG2-CD2 4.41Å; V251-W282 HydrophobicContact CG2-CE3 3.97Å; V251-Q283 WeakPolarHBondContact CG2-O 3.43Å; V251-P288 HydrophobicContact CG1-CG 3.74Å
252D90.3Very high87.9Confident88 Ų8854.6 Ų54.647%0.47126%0.259SS..  trans-53.4129.7177.9176.873.1000113.1E254 R255 L256D252-E254 VanDerWaalsContact C-N 3.27Å; D252-E254 PolarHBondContact O-N 2.91Å; D252-E254 WeakPolarHBondContact OD2-CA 3.1Å; D252-E254 WeakPolarHBondContact OD2-CB 3.43Å; D252-E254 PolarHBondContact OD2-N 2.91Å; D252-R255 HydrophobicContact CB-CB 4.36Å; D252-R255 HydrophobicContact CB-CG 4.11Å; D252-R255 WeakPolarHBondContact O-CB 3.4Å; D252-R255 PolarHBondContact O-N 3.15Å; D252-R255 PolarHBondContact OD2-N 3.41Å; D252-L256 PolarHBondContact O-N 3.48Å
253H91.3Very high88Confident49 Ų4953 Ų5323%0.22725%0.248CC..Hα-helixtrans-64.4-31.1-175.2-58.7164.9000112.6L241 F244 V247 H249 V251 A257L241-H253 HydrophobicContact CD1-CB 4.08Å; F244-H253 HydrophobicContact CB-CB 3.76Å; F244-H253 VanDerWaalsContact CB-CG 3.49Å; F244-H253 WeakPolarHBondContact CB-ND1 3.4Å; F244-H253 HydrophobicContact CD1-CB 4.43Å; F244-H253 AromaticContact CD1-CD2 3.88Å; F244-H253 HydrophobicContact CD2-CB 4.22Å; F244-H253 HydrophobicContact CG-CB 3.91Å; F244-H253 AromaticContact CG-CG 3.89Å; V247-H253 PolarHBondContact O-CE1 2.91Å; V247-H253 PolarHBondContact O-NE2 2.92Å; H249-H253 WeakPolarHBondContact CB-NE2 3.38Å; V251-H253 PolarHBondContact O-N 2.9Å; H253-A257 WeakPolarHBondContact O-CB 3.37Å; H253-A257 PolarHBondContact O-N 3.07Å
254E89.6Confident87.7Confident78 Ų7855.4 Ų55.436%0.36426%0.262SS..Hα-helixtrans-68.5-43.3177-155.6-170.5148.300110.7F237 D252 L256 A257 R258F237-E254 HydrophobicContact CE2-CG 4.38Å; F237-E254 HydrophobicContact CZ-CG 3.78Å; D252-E254 VanDerWaalsContact C-N 3.27Å; D252-E254 PolarHBondContact O-N 2.91Å; D252-E254 WeakPolarHBondContact OD2-CA 3.1Å; D252-E254 WeakPolarHBondContact OD2-CB 3.43Å; D252-E254 PolarHBondContact OD2-N 2.91Å; E254-L256 VanDerWaalsContact C-N 3.34Å; E254-L256 PolarHBondContact O-N 3.29Å; E254-A257 PolarHBondContact O-N 2.81Å; E254-R258 WeakPolarHBondContact O-CB 3.13Å; E254-R258 VanDerWaalsContact O-CG 3.27Å; E254-R258 WeakPolarHBondContact O-CG 3.1Å; E254-R258 PolarHBondContact O-N 3.21Å; E254-R258 IonicContact OE1-CZ 3.97Å; E254-R258 IonicContact OE1-NE 3.65Å; E254-R258 PolarHBondContact OE1-NE 2.89Å; E254-R258 IonicContact OE1-NH2 2.82Å; E254-R258 PolarHBondContact OE1-NH2 3.37Å
255R92.5Very high87.2Confident84 Ų8458 Ų5832%0.31729%0.289SS..Hα-helixtrans-59-43.9175.3-68.3177.369.4-154.82.6111.9D252 R258 A259 E286 D287 P288D252-R255 HydrophobicContact CB-CB 4.36Å; D252-R255 HydrophobicContact CB-CG 4.11Å; D252-R255 WeakPolarHBondContact O-CB 3.4Å; D252-R255 PolarHBondContact O-N 3.15Å; D252-R255 PolarHBondContact OD2-N 3.41Å; R255-R258 PolarHBondContact O-N 2.95Å; R255-A259 WeakPolarHBondContact O-CB 3.5Å; R255-A259 PolarHBondContact O-N 3.45Å; R255-E286 PolarHBondContact NH2-O 2.92Å; R255-D287 IonicContact CZ-OD2 3.68Å; R255-D287 IonicContact NE-OD2 3.02Å; R255-D287 IonicContact NH2-OD2 3.21Å; R255-D287 PolarHBondContact NH2-OD2 3.07Å; R255-P288 HydrophobicContact CB-CG 4.09Å
256L91.6Very high86.9Confident0 Ų061.2 Ų61.20%029%0.293CS..Hα-helixtrans-63.4-50176.8-71160.7000111.8F244 H249 V251 D252 E254 R258 A259 G260 F261 V270 W282 P288F244-L256 HydrophobicContact CE1-CB 4.4Å; F244-L256 HydrophobicContact CE1-CD1 3.88Å; F244-L256 HydrophobicContact CE2-CB 4.25Å; F244-L256 HydrophobicContact CZ-CB 3.8Å; F244-L256 HydrophobicContact CZ-CD1 4.12Å; H249-L256 HydrophobicContact CB-CD1 4.45Å; H249-L256 VanDerWaalsContact CE1-CD1 3.48Å; H249-L256 WeakPolarHBondContact CE1-CD1 3.36Å; H249-L256 WeakPolarHBondContact ND1-CD1 3.48Å; V251-L256 HydrophobicContact CB-CD1 4.31Å; V251-L256 HydrophobicContact CB-CG 4.48Å; V251-L256 HydrophobicContact CG1-CG 4.26Å; D252-L256 PolarHBondContact O-N 3.48Å; E254-L256 VanDerWaalsContact C-N 3.34Å; E254-L256 PolarHBondContact O-N 3.29Å; L256-R258 VanDerWaalsContact C-N 3.31Å; L256-R258 PolarHBondContact O-N 2.99Å; L256-A259 CarbonylContact O-C 3.27Å; L256-A259 PolarHBondContact O-N 3.44Å; L256-A259 VanDerWaalsContact O-N 3.11Å; L256-G260 PolarHBondContact O-N 2.59Å; L256-F261 HydrophobicContact CB-CB 4.2Å; L256-F261 HydrophobicContact CD2-CB 4.43Å; L256-F261 HydrophobicContact CD2-CD2 4.35Å; L256-F261 WeakPolarHBondContact O-CB 3.38Å; L256-F261 PolarHBondContact O-N 3.35Å; L256-V270 HydrophobicContact CD1-CG1 4.39Å; L256-V270 HydrophobicContact CD2-CG1 4.34Å; L256-V270 HydrophobicContact CD2-CG2 4.25Å; L256-W282 HydrophobicContact CD2-CH2 4.12Å; L256-W282 HydrophobicContact CD2-CZ2 3.86Å; L256-P288 HydrophobicContact CD2-CB 4.06Å; L256-P288 HydrophobicContact CD2-CG 3.79Å; L256-P288 HydrophobicContact CG-CG 4.11Å
257A90.9Very high87Confident0 Ų060.4 Ų60.40%029%0.289CS..Hα-helixtrans-61.7-38.4179.300000112.3F237 R240 L241 F244 H253 E254 G260 F261F237-A257 HydrophobicContact CD2-CB 3.92Å; F237-A257 HydrophobicContact CE2-CB 3.6Å; R240-A257 HydrophobicContact CB-CB 4.04Å; R240-A257 PolarHBondContact NE-O 3.03Å; R240-A257 PolarHBondContact NH2-O 2.74Å; L241-A257 HydrophobicContact CB-CB 3.99Å; L241-A257 HydrophobicContact CD1-CB 4.21Å; F244-A257 HydrophobicContact CE2-CB 4.45Å; H253-A257 WeakPolarHBondContact O-CB 3.37Å; H253-A257 PolarHBondContact O-N 3.07Å; E254-A257 PolarHBondContact O-N 2.81Å; A257-G260 PolarHBondContact O-N 2.98Å; A257-F261 WeakPolarHBondContact CA-O 3.36Å
258R90.3Very high87.2Confident142 Ų14260.7 Ų60.754%0.53629%0.29SS..Hα-helixtrans-63-41.5173.9-75.4179.1-178.4-142.22.7111.5F237 E254 R255 L256 G260 W289F237-R258 HydrophobicContact CD2-CG 4.15Å; F237-R258 HydrophobicContact CE2-CB 4.34Å; F237-R258 HydrophobicContact CE2-CG 3.51Å; F237-R258 HydrophobicContact CZ-CG 4.13Å; E254-R258 WeakPolarHBondContact O-CB 3.13Å; E254-R258 VanDerWaalsContact O-CG 3.27Å; E254-R258 WeakPolarHBondContact O-CG 3.1Å; E254-R258 PolarHBondContact O-N 3.21Å; E254-R258 IonicContact OE1-CZ 3.97Å; E254-R258 IonicContact OE1-NE 3.65Å; E254-R258 PolarHBondContact OE1-NE 2.89Å; E254-R258 IonicContact OE1-NH2 2.82Å; E254-R258 PolarHBondContact OE1-NH2 3.37Å; R255-R258 PolarHBondContact O-N 2.95Å; L256-R258 VanDerWaalsContact C-N 3.31Å; L256-R258 PolarHBondContact O-N 2.99Å; R258-G260 PolarHBondContact O-N 3.2Å; R258-G260 VanDerWaalsContact O-N 3.14Å; R258-W289 VanDerWaalsContact C-CZ2 3.48Å; R258-W289 VanDerWaalsContact O-CH2 3.32Å; R258-W289 WeakPolarHBondContact O-CH2 3.37Å; R258-W289 WeakPolarHBondContact O-CZ2 3.46Å
259A91.4Very high87.6Confident0 Ų051.9 Ų51.90%026%0.26CS..THydrogen-bonded Turntrans-747.3176.200000114.8R255 L256 F261 P288 W289 H292R255-A259 WeakPolarHBondContact O-CB 3.5Å; R255-A259 PolarHBondContact O-N 3.45Å; L256-A259 CarbonylContact O-C 3.27Å; L256-A259 PolarHBondContact O-N 3.44Å; L256-A259 VanDerWaalsContact O-N 3.11Å; A259-F261 HydrophobicContact CB-CD2 3.79Å; A259-F261 HydrophobicContact CB-CE2 3.94Å; A259-P288 HydrophobicContact CB-CB 3.52Å; A259-W289 VanDerWaalsContact CA-CE2 3.48Å; A259-W289 HydrophobicContact CB-CD2 3.7Å; A259-W289 HydrophobicContact CB-CE3 4.17Å; A259-W289 HydrophobicContact CB-CG 3.98Å; A259-W289 HydrophobicContact CB-CZ2 4.28Å; A259-H292 PolarHBondContact O-CE1 3.35Å; A259-H292 PolarHBondContact O-ND1 3.01Å
260G90.4Very high87.7Confident0 Ų050.8 Ų50.80%026%0.255CS..THydrogen-bonded Turntrans90.78.1175.500000113.9R240 L256 A257 R258 C272 F273R240-G260 WeakPolarHBondContact CD-O 3.26Å; L256-G260 PolarHBondContact O-N 2.59Å; A257-G260 PolarHBondContact O-N 2.98Å; R258-G260 PolarHBondContact O-N 3.2Å; R258-G260 VanDerWaalsContact O-N 3.14Å; G260-C272 CarbonylContact O-C 3.57Å; G260-C272 VanDerWaalsContact O-CA 3.29Å; G260-C272 WeakPolarHBondContact O-CA 3.28Å; G260-F273 WeakPolarHBondContact O-CD1 3.42Å; G260-F273 PolarHBondContact O-N 2.75Å
261F92.8Very high87.6Confident0 Ų050 Ų500%025%0.247CC..EExtended strand (participates in β ladder)trans-94.7144.2-175.6-65.9-70.8000113.5F244 L256 A257 A259 V270 L271 C272 L279 P288 H292F244-F261 WeakPolarHBondContact CE2-O 3.25Å; L256-F261 HydrophobicContact CB-CB 4.2Å; L256-F261 HydrophobicContact CD2-CB 4.43Å; L256-F261 HydrophobicContact CD2-CD2 4.35Å; L256-F261 WeakPolarHBondContact O-CB 3.38Å; L256-F261 PolarHBondContact O-N 3.35Å; A257-F261 WeakPolarHBondContact CA-O 3.36Å; A259-F261 HydrophobicContact CB-CD2 3.79Å; A259-F261 HydrophobicContact CB-CE2 3.94Å; F261-V270 HydrophobicContact CB-CB 3.96Å; F261-V270 HydrophobicContact CB-CG2 3.95Å; F261-V270 HydrophobicContact CD1-CB 4.25Å; F261-V270 HydrophobicContact CD1-CG2 3.64Å; F261-V270 HydrophobicContact CE1-CG2 4.31Å; F261-V270 HydrophobicContact CG-CB 4.33Å; F261-V270 HydrophobicContact CG-CG2 3.81Å; F261-L271 CarbonylContact C-O 3.55Å; F261-L271 VanDerWaalsContact CA-O 3.27Å; F261-L271 WeakPolarHBondContact CA-O 3.37Å; F261-C272 HydrophobicContact CD1-CB 4.08Å; F261-C272 HydrophobicContact CE1-CB 3.88Å; F261-L279 HydrophobicContact CE1-CD1 3.89Å; F261-L279 HydrophobicContact CE1-CG 4.18Å; F261-L279 HydrophobicContact CE2-CD1 4.22Å; F261-L279 HydrophobicContact CZ-CD1 3.48Å; F261-L279 VanDerWaalsContact CZ-CD1 3.48Å; F261-L279 HydrophobicContact CZ-CG 4.27Å; F261-P288 HydrophobicContact CD2-CB 4.28Å; F261-P288 HydrophobicContact CE2-CB 4.3Å; F261-H292 HydrophobicContact CE2-CB 3.77Å; F261-H292 AromaticContact CE2-CG 3.86Å; F261-H292 AromaticContact CE2-ND1 3.65Å; F261-H292 HydrophobicContact CZ-CB 3.61Å; F261-H292 AromaticContact CZ-CG 3.46Å; F261-H292 VanDerWaalsContact CZ-CG 3.46Å; F261-H292 AromaticContact CZ-ND1 3.52Å
262Y91.2Very high87.5Confident56 Ų5649.9 Ų49.922%0.2225%0.246CC..EExtended strand (participates in β ladder)trans-129.8152.8168.670.6-85.8000109.9M234 S243 T264 V270 L271 F273M234-Y262 HydrophobicContact CB-CD1 4.18Å; M234-Y262 HydrophobicContact CB-CE1 4.46Å; M234-Y262 HydrophobicContact CB-CG 4.5Å; M234-Y262 HydrophobicContact CE-CD2 4.21Å; M234-Y262 HydrophobicContact CG-CD1 4.15Å; M234-Y262 HydrophobicContact CG-CD2 4.21Å; M234-Y262 HydrophobicContact CG-CE1 4.41Å; M234-Y262 HydrophobicContact CG-CE2 4.46Å; M234-Y262 HydrophobicContact CG-CG 4.05Å; M234-Y262 HydrophobicContact SD-CD2 4.17Å; M234-Y262 HydrophobicContact SD-CG 3.98Å; S243-Y262 WeakPolarHBondContact OG-CA 3.38Å; S243-Y262 WeakPolarHBondContact OG-CB 3.12Å; Y262-T264 HydrophobicContact CE2-CG2 4.43Å; Y262-V270 CarbonylContact O-C 3.59Å; Y262-V270 WeakPolarHBondContact O-CA 3.23Å; Y262-L271 HydrophobicContact CD1-CB 4.35Å; Y262-L271 WeakPolarHBondContact CD1-O 3.27Å; Y262-L271 HydrophobicContact CE1-CB 3.75Å; Y262-L271 WeakPolarHBondContact CE1-O 3.29Å; Y262-L271 HydrophobicContact CE2-CB 4.31Å; Y262-L271 HydrophobicContact CE2-CD1 4.47Å; Y262-L271 PolarHBondContact N-O 2.93Å; Y262-L271 PolarHBondContact O-N 3.39Å; Y262-F273 HydrophobicContact CD1-CB 4.34Å; Y262-F273 HydrophobicContact CE1-CB 4.46Å
263S87.9Confident87.1Confident9 Ų948.6 Ų48.66%0.06324%0.237CC..EExtended strand (participates in β ladder)trans-86.2141.9177.6-173.60000111.8S243 V247 G265S243-S263 PolarHBondContact OG-N 2.88Å; V247-S263 WeakPolarHBondContact CG2-OG 3.34Å; S263-G265 VanDerWaalsContact C-N 3.31Å; S263-G265 PolarHBondContact OG-N 3.3Å
264T81.3Confident86.4Confident60 Ų6048.8 Ų48.837%0.36824%0.243SC..  trans-87.7-1.416954.90000112.7Y262 Q266 L271Y262-T264 HydrophobicContact CE2-CG2 4.43Å; T264-Q266 VanDerWaalsContact C-N 3.3Å; T264-L271 HydrophobicContact CG2-CD1 3.35Å; T264-L271 HydrophobicContact CG2-CG 3.66Å
265G76.5Confident85.4Confident56 Ų5645.9 Ų45.958%0.57723%0.231SC*.SBendtrans80.93.2-177.500000114.7S263S263-G265 VanDerWaalsContact C-N 3.31Å; S263-G265 PolarHBondContact OG-N 3.3Å
266Q75.3Confident84.5Confident134 Ų13444.2 Ų44.263%0.62624%0.24SC*.SBendtrans-102112.6174.7-64.3-169.9-3.600110.4T264 D268 Q269T264-Q266 VanDerWaalsContact C-N 3.3Å; Q266-D268 PolarHBondContact O-N 3.48Å; Q266-Q269 VanDerWaalsContact O-CB 3.32Å; Q266-Q269 WeakPolarHBondContact O-CB 3.35Å; Q266-Q269 PolarHBondContact O-N 3.05Å
267E81.4Confident83.8Confident169 Ų16944.4 Ų44.479%0.7924%0.242SC*.THydrogen-bonded Turntrans49.7-130.4176.2-58.6-173.7164.300113
268D86.4Confident83.5Confident27 Ų2745 Ų4514%0.14425%0.248CC..THydrogen-bonded Turntrans-98.814.217573.9-23.9000112.3H249 Q266 V270 G281 W282H249-D268 PolarHBondContact CD2-O 3.41Å; H249-D268 PolarHBondContact NE2-O 3.3Å; Q266-D268 PolarHBondContact O-N 3.48Å; D268-V270 PolarHBondContact O-N 3.36Å; D268-G281 PolarHBondContact OD1-N 2.98Å; D268-G281 WeakPolarHBondContact OD2-CA 3.4Å; D268-G281 PolarHBondContact OD2-N 3.11Å; D268-W282 VanDerWaalsContact O-CD1 3.29Å; D268-W282 PolarHBondContact OD2-N 2.98Å
269Q86.8Confident83.3Confident57 Ų5738.8 Ų38.827%0.26623%0.225SC..  trans-72.1134-179.3-170176.630.900110.8Q266 L279 K280Q266-Q269 VanDerWaalsContact O-CB 3.32Å; Q266-Q269 WeakPolarHBondContact O-CB 3.35Å; Q266-Q269 PolarHBondContact O-N 3.05Å; Q269-L279 WeakPolarHBondContact CA-O 3.46Å; Q269-K280 HydrophobicContact CB-CB 4.3Å; Q269-K280 HydrophobicContact CG-CB 4.38Å
270V89.3Confident83.2Confident0 Ų045.7 Ų45.70%026%0.255CS..EExtended strand (participates in β ladder)trans-131148.3175.6-57.80000110.9F244 L256 F261 Y262 D268 G278 L279 W282F244-V270 HydrophobicContact CE1-CG1 3.72Å; F244-V270 HydrophobicContact CZ-CG1 3.97Å; L256-V270 HydrophobicContact CD1-CG1 4.39Å; L256-V270 HydrophobicContact CD2-CG1 4.34Å; L256-V270 HydrophobicContact CD2-CG2 4.25Å; F261-V270 HydrophobicContact CB-CB 3.96Å; F261-V270 HydrophobicContact CB-CG2 3.95Å; F261-V270 HydrophobicContact CD1-CB 4.25Å; F261-V270 HydrophobicContact CD1-CG2 3.64Å; F261-V270 HydrophobicContact CE1-CG2 4.31Å; F261-V270 HydrophobicContact CG-CB 4.33Å; F261-V270 HydrophobicContact CG-CG2 3.81Å; Y262-V270 CarbonylContact O-C 3.59Å; Y262-V270 WeakPolarHBondContact O-CA 3.23Å; D268-V270 PolarHBondContact O-N 3.36Å; V270-G278 CarbonylContact O-C 3.55Å; V270-G278 VanDerWaalsContact O-CA 3.29Å; V270-G278 WeakPolarHBondContact O-CA 3.4Å; V270-L279 HydrophobicContact CG2-CB 4.05Å; V270-L279 PolarHBondContact N-O 3.5Å; V270-L279 PolarHBondContact O-N 3.19Å; V270-W282 HydrophobicContact CG2-CZ2 3.71Å
271L83Confident83Confident38 Ų3847.9 Ų47.920%0.19928%0.278CS..EExtended strand (participates in β ladder)trans-120.3140.7177.4-63.2-177.4000110.2F261 Y262 T264 G277 G278F261-L271 CarbonylContact C-O 3.55Å; F261-L271 VanDerWaalsContact CA-O 3.27Å; F261-L271 WeakPolarHBondContact CA-O 3.37Å; Y262-L271 HydrophobicContact CD1-CB 4.35Å; Y262-L271 WeakPolarHBondContact CD1-O 3.27Å; Y262-L271 HydrophobicContact CE1-CB 3.75Å; Y262-L271 WeakPolarHBondContact CE1-O 3.29Å; Y262-L271 HydrophobicContact CE2-CB 4.31Å; Y262-L271 HydrophobicContact CE2-CD1 4.47Å; Y262-L271 PolarHBondContact N-O 2.93Å; Y262-L271 PolarHBondContact O-N 3.39Å; T264-L271 HydrophobicContact CG2-CD1 3.35Å; T264-L271 HydrophobicContact CG2-CG 3.66Å; L271-G277 CarbonylContact C-O 3.57Å; L271-G277 WeakPolarHBondContact CA-O 3.45Å; L271-G278 VanDerWaalsContact CD2-CA 3.46Å
272C86.4Confident82.9Confident1 Ų148.4 Ų48.41%0.00728%0.28CS..EExtended strand (participates in β ladder)trans-77.2133.3171.6-179.10000110.4G260 F261 C274 C275 G276 G277 H292G260-C272 CarbonylContact O-C 3.57Å; G260-C272 VanDerWaalsContact O-CA 3.29Å; G260-C272 WeakPolarHBondContact O-CA 3.28Å; F261-C272 HydrophobicContact CD1-CB 4.08Å; F261-C272 HydrophobicContact CE1-CB 3.88Å; C272-C274 PolarHBondContact O-N 3Å; C272-C274 PolarHBondContact SG-N 2.91Å; C272-C274 VanDerWaalsContact SG-N 3.38Å; C272-C275 WeakPolarHBondContact CB-SG 3.35Å; C272-C275 VanDerWaalsContact SG-SG 3.68Å; C272-G276 WeakPolarHBondContact O-CA 3.49Å; C272-G276 PolarHBondContact O-N 2.95Å; C272-G277 PolarHBondContact N-O 2.88Å; C272-H292 PolarHBondContact SG-CE1 2.83Å
273F82.3Confident82.8Confident60 Ų6050.6 Ų50.626%0.26329%0.292SS..THydrogen-bonded Turntrans-65.6-26.7176.983.2-83.7000113.6M234 E235 R240 G260 Y262 F301M234-F273 HydrophobicContact CB-CB 4.04Å; M234-F273 VanDerWaalsContact O-CB 3.24Å; M234-F273 WeakPolarHBondContact O-CB 3.32Å; M234-F273 WeakPolarHBondContact O-CG 3.24Å; E235-F273 HydrophobicContact CB-CD2 4.46Å; R240-F273 VanDerWaalsContact NH1-CD1 3.34Å; G260-F273 WeakPolarHBondContact O-CD1 3.42Å; G260-F273 PolarHBondContact O-N 2.75Å; Y262-F273 HydrophobicContact CD1-CB 4.34Å; Y262-F273 HydrophobicContact CE1-CB 4.46Å; F273-F301 HydrophobicContact CE1-CB 4.34Å; F273-F301 AromaticContact CE1-CD1 3.97Å; F273-F301 HydrophobicContact CE1-CD1 3.97Å; F273-F301 AromaticContact CE1-CD2 3.62Å; F273-F301 HydrophobicContact CE1-CD2 3.62Å; F273-F301 HydrophobicContact CE1-CE1 4.17Å; F273-F301 AromaticContact CE1-CE2 3.81Å; F273-F301 HydrophobicContact CE1-CE2 3.81Å; F273-F301 AromaticContact CE1-CG 3.68Å; F273-F301 HydrophobicContact CE1-CG 3.68Å; F273-F301 HydrophobicContact CE1-CZ 4.08Å; F273-F301 HydrophobicContact CZ-CB 4.23Å; F273-F301 AromaticContact CZ-CD2 3.49Å; F273-F301 HydrophobicContact CZ-CD2 3.49Å; F273-F301 VanDerWaalsContact CZ-CD2 3.49Å; F273-F301 AromaticContact CZ-CE2 3.94Å; F273-F301 HydrophobicContact CZ-CE2 3.94Å; F273-F301 AromaticContact CZ-CG 3.83Å; F273-F301 HydrophobicContact CZ-CG 3.83Å
274C77.6Confident82.7Confident54 Ų5454.1 Ų54.137%0.36532%0.315SS..THydrogen-bonded Turntrans-93.4-56.3-172.8-179.90000112C272 F301C272-C274 PolarHBondContact O-N 3Å; C272-C274 PolarHBondContact SG-N 2.91Å; C272-C274 VanDerWaalsContact SG-N 3.38Å; C274-F301 HydrophobicContact CB-CB 3.49Å; C274-F301 VanDerWaalsContact CB-CB 3.49Å; C274-F301 HydrophobicContact CB-CG 4.38Å; C274-F301 PolarHBondContact SG-N 3.36Å
275C67.8Low83Confident17 Ų1757.7 Ų57.712%0.11533%0.332CS..THydrogen-bonded Turntrans-90.1-10-179.866.90000113.6Q160 C272 G277 C299Q160-C275 PolarHBondContact NE2-O 3.29Å; C272-C275 WeakPolarHBondContact CB-SG 3.35Å; C272-C275 VanDerWaalsContact SG-SG 3.68Å; C275-G277 PolarHBondContact O-N 2.85Å; C275-G277 VanDerWaalsContact O-N 3.13Å; C275-G277 PolarHBondContact SG-N 3.17Å; C275-C299 HydrophobicContact CB-CB 3.77Å
276G74.7Confident83.7Confident49 Ų4957.5 Ų57.551%0.50532%0.316SS..  trans68.82.2-172.500000114.4C272C272-G276 WeakPolarHBondContact O-CA 3.49Å; C272-G276 PolarHBondContact O-N 2.95Å
277G76.2Confident84.4Confident3 Ų353.4 Ų53.43%0.03130%0.298CS..  trans-61.8134.5-178.900000112.1L271 C272 C275 Y296L271-G277 CarbonylContact C-O 3.57Å; L271-G277 WeakPolarHBondContact CA-O 3.45Å; C272-G277 PolarHBondContact N-O 2.88Å; C275-G277 PolarHBondContact O-N 2.85Å; C275-G277 VanDerWaalsContact O-N 3.13Å; C275-G277 PolarHBondContact SG-N 3.17Å; G277-Y296 VanDerWaalsContact CA-CE2 3.49Å
278G84.2Confident85Confident12 Ų1245.4 Ų45.412%0.12426%0.261CS..EExtended strand (participates in β ladder)trans-115.3121.1-172.600000113.8V270 L271 Y296V270-G278 CarbonylContact O-C 3.55Å; V270-G278 VanDerWaalsContact O-CA 3.29Å; V270-G278 WeakPolarHBondContact O-CA 3.4Å; L271-G278 VanDerWaalsContact CD2-CA 3.46Å; G278-Y296 PolarHBondContact N-OH 3.37Å; G278-Y296 PolarHBondContact O-OH 3.46Å
279L86.8Confident85.2Confident12 Ų1245.4 Ų45.46%0.06326%0.259CS..EExtended strand (participates in β ladder)trans-113.7145.4-179.8-61.1-178.5000110.9F261 Q269 V270 W282 E291 E295 Y296F261-L279 HydrophobicContact CE1-CD1 3.89Å; F261-L279 HydrophobicContact CE1-CG 4.18Å; F261-L279 HydrophobicContact CE2-CD1 4.22Å; F261-L279 HydrophobicContact CZ-CD1 3.48Å; F261-L279 VanDerWaalsContact CZ-CD1 3.48Å; F261-L279 HydrophobicContact CZ-CG 4.27Å; Q269-L279 WeakPolarHBondContact CA-O 3.46Å; V270-L279 HydrophobicContact CG2-CB 4.05Å; V270-L279 PolarHBondContact N-O 3.5Å; V270-L279 PolarHBondContact O-N 3.19Å; L279-W282 HydrophobicContact CB-CH2 4.43Å; L279-W282 HydrophobicContact CB-CZ2 3.49Å; L279-W282 VanDerWaalsContact CB-CZ2 3.49Å; L279-W282 HydrophobicContact CD1-CH2 3.62Å; L279-W282 HydrophobicContact CD1-CZ2 3.47Å; L279-W282 VanDerWaalsContact CD1-CZ2 3.47Å; L279-W282 HydrophobicContact CG-CZ2 4.11Å; L279-E291 HydrophobicContact CD1-CB 4.01Å; L279-E295 HydrophobicContact CD2-CB 3.73Å; L279-E295 HydrophobicContact CD2-CG 3.6Å; L279-Y296 HydrophobicContact CD2-CD2 4.34Å; L279-Y296 HydrophobicContact CD2-CE2 3.67Å; L279-Y296 HydrophobicContact CG-CE2 4.09Å
280K89Confident85.4Confident145 Ų14546.5 Ų46.563%0.6326%0.264SS*.  trans-155.6164.3179.564.6176.8-175.9176.20110.1Q269Q269-K280 HydrophobicContact CB-CB 4.3Å; Q269-K280 HydrophobicContact CG-CB 4.38Å
281G86.6Confident85.4Confident46 Ų4648.1 Ų48.147%0.47427%0.271SS..SBendtrans81.329.3-179.900000114D268 Q283D268-G281 PolarHBondContact OD1-N 2.98Å; D268-G281 WeakPolarHBondContact OD2-CA 3.4Å; D268-G281 PolarHBondContact OD2-N 3.11Å; G281-Q283 PolarHBondContact O-NE2 3.1Å
282W89.4Confident85.6Confident11 Ų1146.3 Ų46.34%0.04226%0.262CS..  trans-65.6136.5-172.2-69.892.3000112.9H249 P250 V251 L256 D268 V270 L279 E286 P288 E291H249-W282 AromaticContact CE1-CD1 3.49Å; H249-W282 VanDerWaalsContact CE1-CD1 3.49Å; H249-W282 AromaticContact CE1-CD2 3.98Å; H249-W282 AromaticContact CE1-CG 3.43Å; H249-W282 VanDerWaalsContact CE1-CG 3.43Å; H249-W282 AromaticContact NE2-CD1 3.18Å; H249-W282 AromaticContact NE2-CG 3.64Å; H249-W282 AromaticContact NE2-NE1 3.61Å; P250-W282 HydrophobicContact CG-CB 3.75Å; P250-W282 WeakPolarHBondContact CG-O 3.44Å; V251-W282 HydrophobicContact CG2-CB 4.07Å; V251-W282 HydrophobicContact CG2-CD2 4.41Å; V251-W282 HydrophobicContact CG2-CE3 3.97Å; L256-W282 HydrophobicContact CD2-CH2 4.12Å; L256-W282 HydrophobicContact CD2-CZ2 3.86Å; D268-W282 VanDerWaalsContact O-CD1 3.29Å; D268-W282 PolarHBondContact OD2-N 2.98Å; V270-W282 HydrophobicContact CG2-CZ2 3.71Å; L279-W282 HydrophobicContact CB-CH2 4.43Å; L279-W282 HydrophobicContact CB-CZ2 3.49Å; L279-W282 VanDerWaalsContact CB-CZ2 3.49Å; L279-W282 HydrophobicContact CD1-CH2 3.62Å; L279-W282 HydrophobicContact CD1-CZ2 3.47Å; L279-W282 VanDerWaalsContact CD1-CZ2 3.47Å; L279-W282 HydrophobicContact CG-CZ2 4.11Å; W282-E286 WeakPolarHBondContact CA-OE2 3.18Å; W282-E286 HydrophobicContact CE3-CB 4.04Å; W282-E286 HydrophobicContact CZ3-CB 4.37Å; W282-P288 HydrophobicContact CH2-CB 4.08Å; W282-P288 HydrophobicContact CH2-CG 4.39Å; W282-P288 HydrophobicContact CZ3-CB 4.32Å; W282-P288 HydrophobicContact CZ3-CG 4.23Å; W282-E291 HydrophobicContact CE3-CG 4.47Å; W282-E291 HydrophobicContact CH2-CB 3.78Å; W282-E291 HydrophobicContact CH2-CG 4.35Å; W282-E291 HydrophobicContact CZ3-CB 3.76Å; W282-E291 HydrophobicContact CZ3-CG 3.81Å
283Q89.3Confident85.4Confident102 Ų10246.3 Ų46.348%0.47726%0.262SS..  trans-91.2149.7165.8-56.3-53.7-55.300111V251 G281 D285 E286V251-Q283 WeakPolarHBondContact CG2-O 3.43Å; G281-Q283 PolarHBondContact O-NE2 3.1Å; Q283-D285 WeakPolarHBondContact CB-OD1 3.39Å; Q283-D285 PolarHBondContact O-N 3.28Å; Q283-D285 VanDerWaalsContact O-N 3.12Å; Q283-E286 HydrophobicContact CB-CG 3.97Å; Q283-E286 PolarHBondContact N-OE2 3.34Å; Q283-E286 PolarHBondContact O-N 2.92Å; Q283-E286 VanDerWaalsContact O-N 3.16Å
284P86.6Confident85.3Confident83 Ų8347.3 Ų47.354%0.53927%0.266SS..THydrogen-bonded Turntrans-59.3-26.2-176.1-24.934.4000115.1P250P250-P284 HydrophobicContact CB-CG 4.13Å
285D88Confident85.4Confident136 Ų13646.9 Ų46.973%0.72726%0.258SS*.THydrogen-bonded Turntrans-93-11.8-17859.8-48.4000114.1Q283Q283-D285 WeakPolarHBondContact CB-OD1 3.39Å; Q283-D285 PolarHBondContact O-N 3.28Å; Q283-D285 VanDerWaalsContact O-N 3.12Å
286E89.6Confident85.8Confident52 Ų5247.9 Ų47.924%0.24326%0.26CS..  trans-63.3142.6179.6-78.7171.8167.400111.5R255 W282 Q283 E291R255-E286 PolarHBondContact NH2-O 2.92Å; W282-E286 WeakPolarHBondContact CA-OE2 3.18Å; W282-E286 HydrophobicContact CE3-CB 4.04Å; W282-E286 HydrophobicContact CZ3-CB 4.37Å; Q283-E286 HydrophobicContact CB-CG 3.97Å; Q283-E286 PolarHBondContact N-OE2 3.34Å; Q283-E286 PolarHBondContact O-N 2.92Å; Q283-E286 VanDerWaalsContact O-N 3.16Å; E286-E291 HydrophobicContact CB-CG 4.28Å; E286-E291 HydrophobicContact CG-CG 4.49Å
287D91.4Very high85.7Confident48 Ų4845.7 Ų45.726%0.25724%0.237SC..  trans-94.7121.4176.5-170.5-85.6000111R255 W289 E290 E291R255-D287 IonicContact CZ-OD2 3.68Å; R255-D287 IonicContact NE-OD2 3.02Å; R255-D287 IonicContact NH2-OD2 3.21Å; R255-D287 PolarHBondContact NH2-OD2 3.07Å; D287-W289 PolarHBondContact O-N 3.36Å; D287-W289 WeakPolarHBondContact OD1-CA 3.49Å; D287-W289 VanDerWaalsContact OD1-CB 3.24Å; D287-W289 WeakPolarHBondContact OD1-CB 3.44Å; D287-W289 PolarHBondContact OD1-N 3.23Å; D287-E290 HydrophobicContact CB-CB 4.13Å; D287-E290 HydrophobicContact CB-CG 3.95Å; D287-E290 PolarHBondContact O-N 2.71Å; D287-E290 VanDerWaalsContact O-N 3.1Å; D287-E290 PolarHBondContact OD1-N 3.4Å; D287-E291 PolarHBondContact O-N 3.45Å
288P92.8Very high85.1Confident0 Ų046.7 Ų46.70%025%0.248CC..Hα-helixtrans-57.3-32.6-179.4-31.639.1000114.7V251 R255 L256 A259 F261 W282 H292V251-P288 HydrophobicContact CG1-CG 3.74Å; R255-P288 HydrophobicContact CB-CG 4.09Å; L256-P288 HydrophobicContact CD2-CB 4.06Å; L256-P288 HydrophobicContact CD2-CG 3.79Å; L256-P288 HydrophobicContact CG-CG 4.11Å; A259-P288 HydrophobicContact CB-CB 3.52Å; F261-P288 HydrophobicContact CD2-CB 4.28Å; F261-P288 HydrophobicContact CE2-CB 4.3Å; W282-P288 HydrophobicContact CH2-CB 4.08Å; W282-P288 HydrophobicContact CH2-CG 4.39Å; W282-P288 HydrophobicContact CZ3-CB 4.32Å; W282-P288 HydrophobicContact CZ3-CG 4.23Å; P288-H292 WeakPolarHBondContact O-CB 3.35Å; P288-H292 PolarHBondContact O-N 3.43Å
289W91.6Very high84.7Confident28 Ų2846.3 Ų46.311%0.10624%0.243CC..Hα-helixtrans-74.8-36.6178.1-64.599000112.3R258 A259 D287 A293 F301 L302 E305 K306 F310R258-W289 VanDerWaalsContact C-CZ2 3.48Å; R258-W289 VanDerWaalsContact O-CH2 3.32Å; R258-W289 WeakPolarHBondContact O-CH2 3.37Å; R258-W289 WeakPolarHBondContact O-CZ2 3.46Å; A259-W289 VanDerWaalsContact CA-CE2 3.48Å; A259-W289 HydrophobicContact CB-CD2 3.7Å; A259-W289 HydrophobicContact CB-CE3 4.17Å; A259-W289 HydrophobicContact CB-CG 3.98Å; A259-W289 HydrophobicContact CB-CZ2 4.28Å; D287-W289 PolarHBondContact O-N 3.36Å; D287-W289 WeakPolarHBondContact OD1-CA 3.49Å; D287-W289 VanDerWaalsContact OD1-CB 3.24Å; D287-W289 WeakPolarHBondContact OD1-CB 3.44Å; D287-W289 PolarHBondContact OD1-N 3.23Å; W289-A293 VanDerWaalsContact O-CB 3.28Å; W289-A293 WeakPolarHBondContact O-CB 3.35Å; W289-A293 PolarHBondContact O-N 3.4Å; W289-F301 AromaticContact CH2-CE1 3.63Å; W289-F301 HydrophobicContact CH2-CE1 3.63Å; W289-F301 AromaticContact CH2-CZ 3.88Å; W289-F301 HydrophobicContact CH2-CZ 3.88Å; W289-F301 HydrophobicContact CZ3-CD1 4.4Å; W289-F301 AromaticContact CZ3-CE1 3.79Å; W289-F301 HydrophobicContact CZ3-CE1 3.79Å; W289-F301 HydrophobicContact CZ3-CZ 4.46Å; W289-L302 HydrophobicContact CE3-CD1 3.66Å; W289-L302 HydrophobicContact CZ3-CD1 4.11Å; W289-E305 HydrophobicContact CH2-CB 3.63Å; W289-E305 HydrophobicContact CH2-CG 4.02Å; W289-E305 HydrophobicContact CZ3-CB 3.82Å; W289-K306 HydrophobicContact CD2-CD 4.22Å; W289-K306 HydrophobicContact CD2-CG 4.08Å; W289-K306 HydrophobicContact CE3-CD 4.13Å; W289-K306 VanDerWaalsContact CE3-CE 3.43Å; W289-K306 HydrophobicContact CE3-CG 3.52Å; W289-K306 HydrophobicContact CZ3-CD 4.48Å; W289-K306 HydrophobicContact CZ3-CG 3.83Å; W289-F310 HydrophobicContact CB-CE1 4.18Å; W289-F310 HydrophobicContact CB-CZ 3.98Å
290E90.1Very high83.8Confident80 Ų8048 Ų4837%0.37426%0.256SS..Hα-helixtrans-68.1-46.1176.2-63.1-165.2166.400110.9D287 H292 A293 K294 F310 I314D287-E290 HydrophobicContact CB-CB 4.13Å; D287-E290 HydrophobicContact CB-CG 3.95Å; D287-E290 PolarHBondContact O-N 2.71Å; D287-E290 VanDerWaalsContact O-N 3.1Å; D287-E290 PolarHBondContact OD1-N 3.4Å; E290-H292 VanDerWaalsContact C-N 3.34Å; E290-H292 PolarHBondContact O-N 2.85Å; E290-A293 PolarHBondContact O-N 2.71Å; E290-K294 VanDerWaalsContact O-CB 3.23Å; E290-K294 WeakPolarHBondContact O-CB 3.24Å; E290-K294 PolarHBondContact O-N 2.96Å; E290-F310 HydrophobicContact CG-CZ 4.1Å; E290-I314 HydrophobicContact CB-CD1 4.19Å; E290-I314 HydrophobicContact CG-CD1 3.72Å; E290-I314 HydrophobicContact CG-CG1 4.37Å
291E89.7Confident83.3Confident34 Ų3442.3 Ų42.316%0.15923%0.231CC..Hα-helixtrans-66.3-36.7176.6-68.1-57.7121.300111.7L279 W282 E286 D287 A293 K294 E295L279-E291 HydrophobicContact CD1-CB 4.01Å; W282-E291 HydrophobicContact CE3-CG 4.47Å; W282-E291 HydrophobicContact CH2-CB 3.78Å; W282-E291 HydrophobicContact CH2-CG 4.35Å; W282-E291 HydrophobicContact CZ3-CB 3.76Å; W282-E291 HydrophobicContact CZ3-CG 3.81Å; E286-E291 HydrophobicContact CB-CG 4.28Å; E286-E291 HydrophobicContact CG-CG 4.49Å; D287-E291 PolarHBondContact O-N 3.45Å; E291-A293 PolarHBondContact O-N 3.32Å; E291-K294 PolarHBondContact O-N 3.39Å; E291-K294 IonicContact OE1-NZ 3.96Å; E291-K294 PolarHBondContact OE1-NZ 3.48Å; E291-K294 IonicContact OE2-NZ 3.61Å; E291-K294 PolarHBondContact OE2-NZ 3.17Å; E291-E295 WeakPolarHBondContact O-CB 3.31Å; E291-E295 WeakPolarHBondContact O-CG 3.36Å; E291-E295 PolarHBondContact O-N 3Å
292H87.1Confident83Confident0 Ų040.1 Ų40.10%021%0.208CC..Hα-helixtrans-60.2-45.6170.9-163.2165.8000111.4A259 F261 C272 P288 E290 K294 Y296 C299 L302A259-H292 PolarHBondContact O-CE1 3.35Å; A259-H292 PolarHBondContact O-ND1 3.01Å; F261-H292 HydrophobicContact CE2-CB 3.77Å; F261-H292 AromaticContact CE2-CG 3.86Å; F261-H292 AromaticContact CE2-ND1 3.65Å; F261-H292 HydrophobicContact CZ-CB 3.61Å; F261-H292 AromaticContact CZ-CG 3.46Å; F261-H292 VanDerWaalsContact CZ-CG 3.46Å; F261-H292 AromaticContact CZ-ND1 3.52Å; C272-H292 PolarHBondContact SG-CE1 2.83Å; P288-H292 WeakPolarHBondContact O-CB 3.35Å; P288-H292 PolarHBondContact O-N 3.43Å; E290-H292 VanDerWaalsContact C-N 3.34Å; E290-H292 PolarHBondContact O-N 2.85Å; H292-K294 VanDerWaalsContact C-N 3.34Å; H292-K294 PolarHBondContact O-N 3.5Å; H292-Y296 CarbonylContact O-C 3.5Å; H292-Y296 VanDerWaalsContact O-C 3.28Å; H292-Y296 WeakPolarHBondContact O-CA 3.43Å; H292-Y296 PolarHBondContact O-N 3.47Å; H292-C299 WeakPolarHBondContact NE2-CB 3.38Å; H292-C299 PolarHBondContact NE2-SG 3.46Å; H292-L302 HydrophobicContact CB-CD1 4.39Å
293A82.6Confident81.9Confident0 Ų041.9 Ų41.90%022%0.218CC..Hα-helixtrans-69.5-31.3179.100000113.7W289 E290 E291 P297 L302 F310 V311 I314 Q315W289-A293 VanDerWaalsContact O-CB 3.28Å; W289-A293 WeakPolarHBondContact O-CB 3.35Å; W289-A293 PolarHBondContact O-N 3.4Å; E290-A293 PolarHBondContact O-N 2.71Å; E291-A293 PolarHBondContact O-N 3.32Å; A293-P297 WeakPolarHBondContact O-CA 3.23Å; A293-P297 WeakPolarHBondContact O-CB 3.41Å; A293-L302 VanDerWaalsContact CA-CD2 3.43Å; A293-L302 HydrophobicContact CB-CD1 4.42Å; A293-L302 HydrophobicContact CB-CD2 3.82Å; A293-F310 HydrophobicContact CB-CD1 4.37Å; A293-F310 HydrophobicContact CB-CE1 3.9Å; A293-V311 HydrophobicContact CB-CG1 4.48Å; A293-V311 HydrophobicContact CB-CG2 4.33Å; A293-I314 HydrophobicContact CB-CB 4.2Å; A293-I314 HydrophobicContact CB-CG1 4.28Å; A293-I314 HydrophobicContact CB-CG2 4.25Å; A293-Q315 PolarHBondContact O-NE2 3.2Å
294K80.3Confident81.1Confident81 Ų8144.5 Ų44.535%0.35223%0.231SC..Hα-helixtrans-71.3-45.3178.6180-177.6162.5-1590112E290 E291 H292 I314 Q315E290-K294 VanDerWaalsContact O-CB 3.23Å; E290-K294 WeakPolarHBondContact O-CB 3.24Å; E290-K294 PolarHBondContact O-N 2.96Å; E291-K294 PolarHBondContact O-N 3.39Å; E291-K294 IonicContact OE1-NZ 3.96Å; E291-K294 PolarHBondContact OE1-NZ 3.48Å; E291-K294 IonicContact OE2-NZ 3.61Å; E291-K294 PolarHBondContact OE2-NZ 3.17Å; H292-K294 VanDerWaalsContact C-N 3.34Å; H292-K294 PolarHBondContact O-N 3.5Å; K294-I314 HydrophobicContact CB-CG2 4.05Å; K294-Q315 VanDerWaalsContact C-NE2 3.34Å; K294-Q315 VanDerWaalsContact CA-NE2 3.3Å; K294-Q315 PolarHBondContact O-NE2 3.22Å
295E78.9Confident81Confident45 Ų4546.3 Ų46.321%0.2123%0.232CC..Hα-helixtrans-92.4-32.7-173.8-58.9-64.1130.200112.3R189 L279 E291R189-E295 IonicContact NH1-OE2 2.76Å; L279-E295 HydrophobicContact CD2-CB 3.73Å; L279-E295 HydrophobicContact CD2-CG 3.6Å; E291-E295 WeakPolarHBondContact O-CB 3.31Å; E291-E295 WeakPolarHBondContact O-CG 3.36Å; E291-E295 PolarHBondContact O-N 3Å
296Y78.1Confident80.9Confident38 Ų3843.9 Ų43.915%0.14922%0.215CC..  trans-13462.8-178.2-50.6-76.9000112.8G277 G278 L279 H292 G298 C299G277-Y296 VanDerWaalsContact CA-CE2 3.49Å; G278-Y296 PolarHBondContact N-OH 3.37Å; G278-Y296 PolarHBondContact O-OH 3.46Å; L279-Y296 HydrophobicContact CD2-CD2 4.34Å; L279-Y296 HydrophobicContact CD2-CE2 3.67Å; L279-Y296 HydrophobicContact CG-CE2 4.09Å; H292-Y296 CarbonylContact O-C 3.5Å; H292-Y296 VanDerWaalsContact O-C 3.28Å; H292-Y296 WeakPolarHBondContact O-CA 3.43Å; H292-Y296 PolarHBondContact O-N 3.47Å; Y296-G298 PolarHBondContact O-N 3.21Å; Y296-G298 VanDerWaalsContact O-N 3.09Å; Y296-C299 WeakPolarHBondContact O-CB 3.39Å; Y296-C299 PolarHBondContact O-N 2.96Å
297P70.9Confident79.6Confident3 Ų342.6 Ų42.62%0.01922%0.216CC..THydrogen-bonded Turntrans-59.9-22.9-177.623.5-34.9000114.6W191 A293 V311 Q315W191-P297 HydrophobicContact CZ2-CG 4.32Å; A293-P297 WeakPolarHBondContact O-CA 3.23Å; A293-P297 WeakPolarHBondContact O-CB 3.41Å; P297-V311 HydrophobicContact CB-CG1 3.33Å; P297-Q315 HydrophobicContact CB-CG 4.13Å
298G63.8Low77.9Confident25 Ų2542.3 Ų42.326%0.25822%0.22SC..THydrogen-bonded Turntrans-88.35.1-179.400000115.3Y296 S300Y296-G298 PolarHBondContact O-N 3.21Å; Y296-G298 VanDerWaalsContact O-N 3.09Å; G298-S300 PolarHBondContact O-N 3.41Å
299C76.4Confident76.2Confident4 Ų446.3 Ų46.33%0.02725%0.253CS..  trans-64.3122.2-180175.10000111.2C275 H292 Y296 F301 L302 L303C275-C299 HydrophobicContact CB-CB 3.77Å; H292-C299 WeakPolarHBondContact NE2-CB 3.38Å; H292-C299 PolarHBondContact NE2-SG 3.46Å; Y296-C299 WeakPolarHBondContact O-CB 3.39Å; Y296-C299 PolarHBondContact O-N 2.96Å; C299-F301 PolarHBondContact O-N 2.88Å; C299-L302 HydrophobicContact CB-CB 3.75Å; C299-L302 WeakPolarHBondContact O-CB 3.34Å; C299-L302 PolarHBondContact O-N 3.01Å; C299-L302 VanDerWaalsContact O-N 3.13Å; C299-L303 WeakPolarHBondContact O-CG 3.3Å; C299-L303 PolarHBondContact O-N 2.84Å
300S67.8Low75.4Confident47 Ų4747.4 Ų47.433%0.32926%0.259SS..Hα-helixtrans-58.5-44.9-178.4-55.10000112.4G298 L302 L303 E304G298-S300 PolarHBondContact O-N 3.41Å; S300-L302 VanDerWaalsContact C-N 3.32Å; S300-L302 PolarHBondContact O-N 3.01Å; S300-L303 PolarHBondContact O-N 3.32Å; S300-E304 WeakPolarHBondContact O-CB 3.48Å; S300-E304 WeakPolarHBondContact O-CG 3.15Å; S300-E304 PolarHBondContact O-N 3.13Å
301F79.2Confident74.3Confident25 Ų2543.6 Ų43.611%0.1124%0.241CC..Hα-helixtrans-59.9-41.7176.1171.5-99.7000112.4F273 C274 W289 C299 E304 E305F273-F301 HydrophobicContact CE1-CB 4.34Å; F273-F301 AromaticContact CE1-CD1 3.97Å; F273-F301 HydrophobicContact CE1-CD1 3.97Å; F273-F301 AromaticContact CE1-CD2 3.62Å; F273-F301 HydrophobicContact CE1-CD2 3.62Å; F273-F301 HydrophobicContact CE1-CE1 4.17Å; F273-F301 AromaticContact CE1-CE2 3.81Å; F273-F301 HydrophobicContact CE1-CE2 3.81Å; F273-F301 AromaticContact CE1-CG 3.68Å; F273-F301 HydrophobicContact CE1-CG 3.68Å; F273-F301 HydrophobicContact CE1-CZ 4.08Å; F273-F301 HydrophobicContact CZ-CB 4.23Å; F273-F301 AromaticContact CZ-CD2 3.49Å; F273-F301 HydrophobicContact CZ-CD2 3.49Å; F273-F301 VanDerWaalsContact CZ-CD2 3.49Å; F273-F301 AromaticContact CZ-CE2 3.94Å; F273-F301 HydrophobicContact CZ-CE2 3.94Å; F273-F301 AromaticContact CZ-CG 3.83Å; F273-F301 HydrophobicContact CZ-CG 3.83Å; C274-F301 HydrophobicContact CB-CB 3.49Å; C274-F301 VanDerWaalsContact CB-CB 3.49Å; C274-F301 HydrophobicContact CB-CG 4.38Å; C274-F301 PolarHBondContact SG-N 3.36Å; W289-F301 AromaticContact CH2-CE1 3.63Å; W289-F301 HydrophobicContact CH2-CE1 3.63Å; W289-F301 AromaticContact CH2-CZ 3.88Å; W289-F301 HydrophobicContact CH2-CZ 3.88Å; W289-F301 HydrophobicContact CZ3-CD1 4.4Å; W289-F301 AromaticContact CZ3-CE1 3.79Å; W289-F301 HydrophobicContact CZ3-CE1 3.79Å; W289-F301 HydrophobicContact CZ3-CZ 4.46Å; C299-F301 PolarHBondContact O-N 2.88Å; F301-E304 PolarHBondContact O-N 2.81Å; F301-E305 HydrophobicContact CD2-CG 4.09Å; F301-E305 HydrophobicContact CE1-CG 4.37Å; F301-E305 HydrophobicContact CE2-CG 3.65Å; F301-E305 HydrophobicContact CZ-CG 3.81Å; F301-E305 WeakPolarHBondContact O-CB 3.44Å; F301-E305 WeakPolarHBondContact O-CG 3.39Å; F301-E305 PolarHBondContact O-N 3.1Å
302L79.1Confident72.7Confident0 Ų044.2 Ų44.20%025%0.245CC..Hα-helixtrans-64.2-44.2176.9175.169.9000111.4W289 H292 A293 C299 S300 K306 F310 V311W289-L302 HydrophobicContact CE3-CD1 3.66Å; W289-L302 HydrophobicContact CZ3-CD1 4.11Å; H292-L302 HydrophobicContact CB-CD1 4.39Å; A293-L302 VanDerWaalsContact CA-CD2 3.43Å; A293-L302 HydrophobicContact CB-CD1 4.42Å; A293-L302 HydrophobicContact CB-CD2 3.82Å; C299-L302 HydrophobicContact CB-CB 3.75Å; C299-L302 WeakPolarHBondContact O-CB 3.34Å; C299-L302 PolarHBondContact O-N 3.01Å; C299-L302 VanDerWaalsContact O-N 3.13Å; S300-L302 VanDerWaalsContact C-N 3.32Å; S300-L302 PolarHBondContact O-N 3.01Å; L302-K306 HydrophobicContact CD1-CB 4.36Å; L302-K306 HydrophobicContact CD1-CG 4.06Å; L302-K306 WeakPolarHBondContact O-CB 3.49Å; L302-K306 PolarHBondContact O-N 2.93Å; L302-F310 HydrophobicContact CD1-CE1 4.44Å; L302-V311 HydrophobicContact CD2-CG2 3.85Å; L302-V311 HydrophobicContact CG-CG2 3.98Å
303L66.1Low71.6Confident48 Ų4846.5 Ų46.525%0.25126%0.262SS..Hα-helixtrans-66-38.1178.9-72.1170.1000111.9C299 S300 G307 A308 V311C299-L303 WeakPolarHBondContact O-CG 3.3Å; C299-L303 PolarHBondContact O-N 2.84Å; S300-L303 PolarHBondContact O-N 3.32Å; L303-G307 WeakPolarHBondContact O-CA 3.48Å; L303-G307 PolarHBondContact O-N 3.38Å; L303-A308 HydrophobicContact CD2-CB 4.31Å; L303-V311 HydrophobicContact CD2-CB 4.49Å; L303-V311 HydrophobicContact CD2-CG2 3.96Å
304E73.9Confident71.3Confident158 Ų15847.1 Ų47.174%0.73827%0.265SS*.Hα-helixtrans-67.1-45.7175.9-74.5173.9-172.600112S300 F301S300-E304 WeakPolarHBondContact O-CB 3.48Å; S300-E304 WeakPolarHBondContact O-CG 3.15Å; S300-E304 PolarHBondContact O-N 3.13Å; F301-E304 PolarHBondContact O-N 2.81Å
305E84.6Confident70.9Confident121 Ų12144.8 Ų44.857%0.56526%0.255SS*.Hα-helixtrans-81.6-31.8-174.6-73.6-69.612800114W289 F301W289-E305 HydrophobicContact CH2-CB 3.63Å; W289-E305 HydrophobicContact CH2-CG 4.02Å; W289-E305 HydrophobicContact CZ3-CB 3.82Å; F301-E305 HydrophobicContact CD2-CG 4.09Å; F301-E305 HydrophobicContact CE1-CG 4.37Å; F301-E305 HydrophobicContact CE2-CG 3.65Å; F301-E305 HydrophobicContact CZ-CG 3.81Å; F301-E305 WeakPolarHBondContact O-CB 3.44Å; F301-E305 WeakPolarHBondContact O-CG 3.39Å; F301-E305 PolarHBondContact O-N 3.1Å
306K84.7Confident69.9Low84 Ų8447.9 Ų47.937%0.36527%0.273SS..Hα-helixtrans-114.6-21-176-62.5-60.2-175.5-174.40114.8W289 L302 F310W289-K306 HydrophobicContact CD2-CD 4.22Å; W289-K306 HydrophobicContact CD2-CG 4.08Å; W289-K306 HydrophobicContact CE3-CD 4.13Å; W289-K306 VanDerWaalsContact CE3-CE 3.43Å; W289-K306 HydrophobicContact CE3-CG 3.52Å; W289-K306 HydrophobicContact CZ3-CD 4.48Å; W289-K306 HydrophobicContact CZ3-CG 3.83Å; L302-K306 HydrophobicContact CD1-CB 4.36Å; L302-K306 HydrophobicContact CD1-CG 4.06Å; L302-K306 WeakPolarHBondContact O-CB 3.49Å; L302-K306 PolarHBondContact O-N 2.93Å; K306-F310 HydrophobicContact CB-CB 3.99Å; K306-F310 HydrophobicContact CB-CD1 3.39Å; K306-F310 HydrophobicContact CB-CE1 4.02Å; K306-F310 HydrophobicContact CB-CG 3.81Å; K306-F310 HydrophobicContact CD-CD1 4.49Å; K306-F310 HydrophobicContact CG-CD1 3.85Å; K306-F310 HydrophobicContact CG-CE1 3.96Å; K306-F310 HydrophobicContact CG-CG 4.43Å; K306-F310 VanDerWaalsContact O-CB 3.31Å; K306-F310 WeakPolarHBondContact O-CB 3.48Å
307G62.9Low69.4Low26 Ų2651.1 Ų51.127%0.26829%0.288SS..Hα-helixtrans78.2154.7-178.500000114L303 A309 F310 V311L303-G307 WeakPolarHBondContact O-CA 3.48Å; L303-G307 PolarHBondContact O-N 3.38Å; G307-A309 VanDerWaalsContact C-N 3.26Å; G307-A309 PolarHBondContact O-N 3.37Å; G307-F310 PolarHBondContact O-N 2.9Å; G307-V311 PolarHBondContact O-N 2.95Å
308A56.3Low68.6Low42 Ų4251.6 Ų51.635%0.34729%0.293SS..Hα-helixtrans-60-31.7-178.800000113.7L303 F310 V311 N312L303-A308 HydrophobicContact CD2-CB 4.31Å; A308-F310 VanDerWaalsContact C-N 3.35Å; A308-F310 PolarHBondContact O-N 3.42Å; A308-V311 PolarHBondContact O-N 2.78Å; A308-N312 VanDerWaalsContact O-CB 3.32Å; A308-N312 WeakPolarHBondContact O-CB 3.24Å; A308-N312 PolarHBondContact O-N 3.37Å; A308-N312 PolarHBondContact O-ND2 2.92Å
309A55.3Low67.8Low84 Ų8454.8 Ų54.869%0.69430%0.303SS*.Hα-helixtrans-63.9-38.7178.400000112.7G307 S313G307-A309 VanDerWaalsContact C-N 3.26Å; G307-A309 PolarHBondContact O-N 3.37Å; A309-S313 WeakPolarHBondContact O-CB 3.23Å; A309-S313 PolarHBondContact O-N 3.28Å; A309-S313 VanDerWaalsContact O-N 3.13Å
310F75.8Confident66.3Low50 Ų5061.6 Ų61.622%0.21934%0.335CS..Hα-helixtrans-64.7-52.2175.4171.1-98.5000110.3W289 E290 A293 L302 K306 G307 A308 N312 S313 I314W289-F310 HydrophobicContact CB-CE1 4.18Å; W289-F310 HydrophobicContact CB-CZ 3.98Å; E290-F310 HydrophobicContact CG-CZ 4.1Å; A293-F310 HydrophobicContact CB-CD1 4.37Å; A293-F310 HydrophobicContact CB-CE1 3.9Å; L302-F310 HydrophobicContact CD1-CE1 4.44Å; K306-F310 HydrophobicContact CB-CB 3.99Å; K306-F310 HydrophobicContact CB-CD1 3.39Å; K306-F310 HydrophobicContact CB-CE1 4.02Å; K306-F310 HydrophobicContact CB-CG 3.81Å; K306-F310 HydrophobicContact CD-CD1 4.49Å; K306-F310 HydrophobicContact CG-CD1 3.85Å; K306-F310 HydrophobicContact CG-CE1 3.96Å; K306-F310 HydrophobicContact CG-CG 4.43Å; K306-F310 VanDerWaalsContact O-CB 3.31Å; K306-F310 WeakPolarHBondContact O-CB 3.48Å; G307-F310 PolarHBondContact O-N 2.9Å; A308-F310 VanDerWaalsContact C-N 3.35Å; A308-F310 PolarHBondContact O-N 3.42Å; F310-N312 VanDerWaalsContact C-N 3.33Å; F310-N312 PolarHBondContact O-N 3.41Å; F310-S313 WeakPolarHBondContact O-CB 3.4Å; F310-S313 PolarHBondContact O-N 3.29Å; F310-S313 VanDerWaalsContact O-N 3.09Å; F310-S313 PolarHBondContact O-OG 2.89Å; F310-I314 HydrophobicContact CE1-CG1 4.35Å; F310-I314 HydrophobicContact CE2-CD1 4.47Å; F310-I314 HydrophobicContact CE2-CG1 4.33Å; F310-I314 HydrophobicContact CZ-CG1 4.15Å; F310-I314 PolarHBondContact O-N 3.39Å
311V67.4Low65.4Low0 Ų066.1 Ų66.10%035%0.351CS..Hα-helixtrans-56-48.3-179.5177.80000111.3A293 P297 L302 L303 G307 A308 S313 I314 Q315A293-V311 HydrophobicContact CB-CG1 4.48Å; A293-V311 HydrophobicContact CB-CG2 4.33Å; P297-V311 HydrophobicContact CB-CG1 3.33Å; L302-V311 HydrophobicContact CD2-CG2 3.85Å; L302-V311 HydrophobicContact CG-CG2 3.98Å; L303-V311 HydrophobicContact CD2-CB 4.49Å; L303-V311 HydrophobicContact CD2-CG2 3.96Å; G307-V311 PolarHBondContact O-N 2.95Å; A308-V311 PolarHBondContact O-N 2.78Å; V311-S313 VanDerWaalsContact C-N 3.3Å; V311-S313 PolarHBondContact O-N 3.05Å; V311-I314 PolarHBondContact O-N 2.89Å; V311-I314 VanDerWaalsContact O-N 3.15Å; V311-Q315 HydrophobicContact CG1-CG 4.45Å; V311-Q315 WeakPolarHBondContact O-CG 3.5Å; V311-Q315 PolarHBondContact O-N 3.19Å
312N55.1Low63.8Low47 Ų4772.1 Ų72.125%0.25137%0.372SS..Hα-helixtrans-62.9-36.8179.7-69.4-10.1000112.3L205 A308 F310 I314 Q315 L316L205-N312 PolarHBondContact O-OD1 2.94Å; A308-N312 VanDerWaalsContact O-CB 3.32Å; A308-N312 WeakPolarHBondContact O-CB 3.24Å; A308-N312 PolarHBondContact O-N 3.37Å; A308-N312 PolarHBondContact O-ND2 2.92Å; F310-N312 VanDerWaalsContact C-N 3.33Å; F310-N312 PolarHBondContact O-N 3.41Å; N312-I314 VanDerWaalsContact C-N 3.31Å; N312-I314 PolarHBondContact O-N 2.87Å; N312-Q315 PolarHBondContact O-N 2.98Å; N312-L316 WeakPolarHBondContact O-CB 3.45Å; N312-L316 WeakPolarHBondContact O-CD1 3.48Å; N312-L316 WeakPolarHBondContact O-CG 3.28Å; N312-L316 PolarHBondContact O-N 2.85Å
313S63.6Low62.1Low49 Ų4976.5 Ų76.534%0.34340%0.403SS..Hα-helixtrans-64.4-35.2177.179.20000112.9A309 F310 V311 K317A309-S313 WeakPolarHBondContact O-CB 3.23Å; A309-S313 PolarHBondContact O-N 3.28Å; A309-S313 VanDerWaalsContact O-N 3.13Å; F310-S313 WeakPolarHBondContact O-CB 3.4Å; F310-S313 PolarHBondContact O-N 3.29Å; F310-S313 VanDerWaalsContact O-N 3.09Å; F310-S313 PolarHBondContact O-OG 2.89Å; V311-S313 VanDerWaalsContact C-N 3.3Å; V311-S313 PolarHBondContact O-N 3.05Å; S313-K317 WeakPolarHBondContact O-CG 3.45Å; S313-K317 PolarHBondContact O-N 2.86Å
314I77.5Confident60.9Low13 Ų1378.2 Ų78.27%0.06742%0.424CS..Hα-helixtrans-74-44.5177.5-61.2-55.8000110.6E290 A293 K294 F310 V311 N312 L316 K317 G318E290-I314 HydrophobicContact CB-CD1 4.19Å; E290-I314 HydrophobicContact CG-CD1 3.72Å; E290-I314 HydrophobicContact CG-CG1 4.37Å; A293-I314 HydrophobicContact CB-CB 4.2Å; A293-I314 HydrophobicContact CB-CG1 4.28Å; A293-I314 HydrophobicContact CB-CG2 4.25Å; K294-I314 HydrophobicContact CB-CG2 4.05Å; F310-I314 HydrophobicContact CE1-CG1 4.35Å; F310-I314 HydrophobicContact CE2-CD1 4.47Å; F310-I314 HydrophobicContact CE2-CG1 4.33Å; F310-I314 HydrophobicContact CZ-CG1 4.15Å; F310-I314 PolarHBondContact O-N 3.39Å; V311-I314 PolarHBondContact O-N 2.89Å; V311-I314 VanDerWaalsContact O-N 3.15Å; N312-I314 VanDerWaalsContact C-N 3.31Å; N312-I314 PolarHBondContact O-N 2.87Å; I314-L316 VanDerWaalsContact C-N 3.29Å; I314-L316 PolarHBondContact O-N 2.91Å; I314-K317 PolarHBondContact O-N 2.87Å; I314-G318 PolarHBondContact O-N 3.42Å
315Q72.1Confident59.3Low31 Ų3174.3 Ų74.315%0.14542%0.419CS..Hα-helixtrans-58.5-40.7176.7-72.1-62.9-34.500112.3A293 K294 P297 V311 N312 G318 I319A293-Q315 PolarHBondContact O-NE2 3.2Å; K294-Q315 VanDerWaalsContact C-NE2 3.34Å; K294-Q315 VanDerWaalsContact CA-NE2 3.3Å; K294-Q315 PolarHBondContact O-NE2 3.22Å; P297-Q315 HydrophobicContact CB-CG 4.13Å; V311-Q315 HydrophobicContact CG1-CG 4.45Å; V311-Q315 WeakPolarHBondContact O-CG 3.5Å; V311-Q315 PolarHBondContact O-N 3.19Å; N312-Q315 PolarHBondContact O-N 2.98Å; Q315-G318 PolarHBondContact O-N 3.03Å; Q315-I319 PolarHBondContact O-N 3.01Å
316L57.7Low57.1Low111 Ų11173.2 Ų73.258%0.58143%0.425SS*.Hα-helixtrans-65.6-41177.6-72.6167.2000112.9N312 I314 G318 I319N312-L316 WeakPolarHBondContact O-CB 3.45Å; N312-L316 WeakPolarHBondContact O-CD1 3.48Å; N312-L316 WeakPolarHBondContact O-CG 3.28Å; N312-L316 PolarHBondContact O-N 2.85Å; I314-L316 VanDerWaalsContact C-N 3.29Å; I314-L316 PolarHBondContact O-N 2.91Å; L316-G318 VanDerWaalsContact C-N 3.27Å; L316-G318 PolarHBondContact O-N 3.32Å; L316-I319 PolarHBondContact O-N 3.16Å
317K67.9Low55.2Low106 Ų10673.9 Ų73.946%0.46144%0.44SS..Hα-helixtrans-61.1-36.6175.4-71.8172.5-177.8177.50112.1S313 I314 I319 E320 Q321S313-K317 WeakPolarHBondContact O-CG 3.45Å; S313-K317 PolarHBondContact O-N 2.86Å; I314-K317 PolarHBondContact O-N 2.87Å; K317-I319 VanDerWaalsContact C-N 3.27Å; K317-I319 PolarHBondContact O-N 3.12Å; K317-E320 PolarHBondContact O-N 3.37Å; K317-Q321 PolarHBondContact O-N 3.24Å
318G52.7Low54.2Low13 Ų1380.6 Ų80.613%0.13446%0.464CS..Hα-helixtrans-68.5-20.8178.800000114.5I314 Q315 L316 R322I314-G318 PolarHBondContact O-N 3.42Å; Q315-G318 PolarHBondContact O-N 3.03Å; L316-G318 VanDerWaalsContact C-N 3.27Å; L316-G318 PolarHBondContact O-N 3.32Å; G318-R322 WeakPolarHBondContact O-CG 3.36Å; G318-R322 PolarHBondContact O-N 3.43Å; G318-R322 PolarHBondContact O-NE 3.18Å
319I48.7Very low53.4Low92 Ų9286.9 Ų86.947%0.47249%0.486SS..Hα-helixtrans-79.3-42.5176.5-65.4168.1000110.4Q315 L316 K317 Q321 R322 S323Q315-I319 PolarHBondContact O-N 3.01Å; L316-I319 PolarHBondContact O-N 3.16Å; K317-I319 VanDerWaalsContact C-N 3.27Å; K317-I319 PolarHBondContact O-N 3.12Å; I319-Q321 VanDerWaalsContact C-N 3.32Å; I319-Q321 PolarHBondContact O-N 3.15Å; I319-R322 PolarHBondContact O-N 3.41Å; I319-S323 PolarHBondContact O-N 3.23Å; I319-S323 VanDerWaalsContact O-N 3.11Å
320E43.6Very low52.3Low147 Ų14790.4 Ų90.469%0.68749%0.494SS*.Hα-helixtrans-62.6-38.4178.5-65.1179.9161.400112.1K317 A324K317-E320 PolarHBondContact O-N 3.37Å; E320-A324 PolarHBondContact O-N 3.26Å
321Q48.4Very low50.7Low142 Ų14291.3 Ų91.366%0.66452%0.517SS*.Hα-helixtrans-72.4-34.7178.1-67.8178.9-700112.8K317 I319 A324 A325K317-Q321 PolarHBondContact O-N 3.24Å; I319-Q321 VanDerWaalsContact C-N 3.32Å; I319-Q321 PolarHBondContact O-N 3.15Å; Q321-A324 PolarHBondContact O-N 3.32Å; Q321-A325 PolarHBondContact O-N 3.34Å
322R47.1Very low48.7Very low150 Ų150101.5 Ų101.557%0.56656%0.562SS**Hα-helixtrans-70.5-35.7176.5-79.2-176.1-97.2-158.2-4.8112.7G318 I319 A324 A325 S326G318-R322 WeakPolarHBondContact O-CG 3.36Å; G318-R322 PolarHBondContact O-N 3.43Å; G318-R322 PolarHBondContact O-NE 3.18Å; I319-R322 PolarHBondContact O-N 3.41Å; R322-A324 VanDerWaalsContact C-N 3.26Å; R322-A324 PolarHBondContact O-N 3.04Å; R322-A325 PolarHBondContact O-N 3.42Å; R322-S326 PolarHBondContact O-N 3.31Å
323S42.1Very low48.2Very low93 Ų93105 Ų10565%0.6559%0.589SS**Hα-helixtrans-67.4-22.1172.5-73.50000114.1I319I319-S323 PolarHBondContact O-N 3.23Å; I319-S323 VanDerWaalsContact O-N 3.11Å
324A41.2Very low46.7Very low83 Ų83106.7 Ų106.769%0.68661%0.607SS**Hα-helixtrans-85-28.6174.600000113.1E320 Q321 R322E320-A324 PolarHBondContact O-N 3.26Å; Q321-A324 PolarHBondContact O-N 3.32Å; R322-A324 VanDerWaalsContact C-N 3.26Å; R322-A324 PolarHBondContact O-N 3.04Å
325A39.8Very low44.8Very low77 Ų77112 Ų11264%0.63665%0.645SS**Hα-helixtrans-87-18-176.800000114.3Q321 R322 S327Q321-A325 PolarHBondContact O-N 3.34Å; R322-A325 PolarHBondContact O-N 3.42Å; A325-S327 PolarHBondContact O-N 3.44Å; A325-S327 VanDerWaalsContact O-N 3.09Å
326S39.5Very low43.1Very low97 Ų97119.1 Ų119.168%0.67868%0.678SS**THydrogen-bonded Turntrans-77.513.1-174.466.30000115.5R322R322-S326 PolarHBondContact O-N 3.31Å
327S43.8Very low42.4Very low99 Ų99122.9 Ų122.969%0.69269%0.69SS**THydrogen-bonded Turntrans-85.9-0.9179.6-157.70000114.4A325A325-S327 PolarHBondContact O-N 3.44Å; A325-S327 VanDerWaalsContact O-N 3.09Å
328H42.4Very low41.2Very low167 Ų167126 Ų12677%0.77371%0.711SS**SBendtrans-143.9110.3174.1-82.7-59.6000113.6
329Q38.8Very low41.4Very low174 Ų174131.3 Ų131.381%0.81373%0.733SS**  trans96.5133.4152-58.5-169.7-100120.5
330N32.4Very low42.7Very low158 Ų158131.2 Ų131.285%0.84573%0.734SS**  trans77.9110.1169.6-57.2-12.4000115.1
331G42.7Very low44.1Very low69 Ų69129.2 Ų129.271%0.71173%0.733SS**  cis99.362.823.700000111.1
332F25.1Very low44.9Very low214 Ų214127.6 Ų127.694%0.93973%0.727SS**  trans-148.9128.1155.2-114.6-86.2000109.4A334F332-A334 PolarHBondContact O-N 3.5Å
333S44.7Very low46.1Very low119 Ų119126.5 Ų126.583%0.83273%0.728SS**  trans-72.6116.5-165.562.50000113.1
334A32.4Very low47.5Very low86 Ų86127.9 Ų127.971%0.71172%0.723SS**  trans-104.1129.2145.100000106.8F332 E336F332-A334 PolarHBondContact O-N 3.5Å; A334-E336 PolarHBondContact O-N 3.04Å
335S37.4Very low48.9Very low125 Ų125128.1 Ų128.187%0.87471%0.712SS**  trans-50.598-176.3-159.40000112K337S335-K337 PolarHBondContact O-N 2.88Å
336E37Very low50.3Low179 Ų179129.3 Ų129.384%0.83671%0.705SS**  trans-71.3112.4168.9-72.2-175.3146.800107.5A334A334-E336 PolarHBondContact O-N 3.04Å
337K43.2Very low51.9Low191 Ų191129.6 Ų129.683%0.8370%0.695SS**  trans-72.7122.8152.2-71.9-177177.8-179.40105.8S335 E339S335-K337 PolarHBondContact O-N 2.88Å; K337-E339 PolarHBondContact O-N 2.57Å
338D42.5Very low53.3Low170 Ų170129.1 Ų129.191%0.90968%0.684SS**  trans-3999171.7-86.1-43.8000111.2
339E55.8Low54.8Low126 Ų126126.4 Ų126.459%0.58967%0.671SS**  trans-84.3122.5157.4-78.1-170.416800106.6K337K337-E339 PolarHBondContact O-N 2.57Å
340D77.2Confident56.5Low90 Ų90125.4 Ų125.448%0.48166%0.66SS.*  trans-51.5126.2-179.3173.920.2000110.5M342 E343 K344D340-M342 PolarHBondContact O-N 2.86Å; D340-M342 PolarHBondContact OD1-N 2.82Å; D340-M342 WeakPolarHBondContact OD2-CB 3.45Å; D340-E343 HydrophobicContact CB-CB 4.09Å; D340-E343 WeakPolarHBondContact O-CA 3.41Å; D340-E343 WeakPolarHBondContact O-CB 3.24Å; D340-E343 PolarHBondContact O-N 2.84Å; D340-K344 PolarHBondContact O-N 3.02Å
341P72.9Confident58.6Low105 Ų105122.7 Ų122.768%0.68264%0.642SS**Hα-helixtrans-52.1-30.4177.9-2934.8000113.9L345P341-L345 PolarHBondContact O-N 3.44Å; P341-L345 VanDerWaalsContact O-N 3.08Å
342M64.5Low60.5Low108 Ų108125.7 Ų125.753%0.53264%0.636SS.*Hα-helixtrans-68.2-39.7174.9-16369.868.700111.8D340 L345 M346D340-M342 PolarHBondContact O-N 2.86Å; D340-M342 PolarHBondContact OD1-N 2.82Å; D340-M342 WeakPolarHBondContact OD2-CB 3.45Å; M342-L345 PolarHBondContact O-N 3.11Å; M342-M346 HydrophobicContact CG-CE 4.2Å; M342-M346 WeakPolarHBondContact O-CG 3.35Å; M342-M346 PolarHBondContact O-N 3.33Å
343E72.1Confident63.3Low127 Ų127118.5 Ų118.559%0.59361%0.605SS**Hα-helixtrans-67.1-38.8177.4-170.2166.6-166.400111.5D340 M346 K347D340-E343 HydrophobicContact CB-CB 4.09Å; D340-E343 WeakPolarHBondContact O-CA 3.41Å; D340-E343 WeakPolarHBondContact O-CB 3.24Å; D340-E343 PolarHBondContact O-N 2.84Å; E343-M346 PolarHBondContact O-N 3.39Å; E343-K347 WeakPolarHBondContact O-CB 3.4Å; E343-K347 PolarHBondContact O-N 2.92Å
344K71.6Confident65.2Low122 Ų122112.8 Ų112.853%0.5357%0.565SS.*Hα-helixtrans-63.1-42.7173.2-166.6171.4-175.4172.10112.1D340 K347 L348D340-K344 PolarHBondContact O-N 3.02Å; K344-K347 PolarHBondContact O-N 3.15Å; K344-L348 WeakPolarHBondContact O-CG 3.45Å; K344-L348 PolarHBondContact O-N 2.95Å; K344-L348 VanDerWaalsContact O-N 3.1Å
345L70.4Confident67.6Low87 Ų87111.4 Ų111.446%0.45554%0.543SS..Hα-helixtrans-64.3-44.2175.6-179.362.6000111.7P341 M342 K347 L348 Q349P341-L345 PolarHBondContact O-N 3.44Å; P341-L345 VanDerWaalsContact O-N 3.08Å; M342-L345 PolarHBondContact O-N 3.11Å; L345-K347 VanDerWaalsContact C-N 3.3Å; L345-K347 PolarHBondContact O-N 3.3Å; L345-L348 PolarHBondContact O-N 3.22Å; L345-Q349 HydrophobicContact CD1-CG 4.5Å; L345-Q349 WeakPolarHBondContact O-CB 3.08Å; L345-Q349 WeakPolarHBondContact O-CG 3.38Å; L345-Q349 PolarHBondContact O-N 2.76Å
346M70.8Confident69.8Low103 Ų103108.7 Ų108.751%0.50752%0.518SS..Hα-helixtrans-63-36.3177.1-74.9-171.4-178.900112.4M342 E343 R350M342-M346 HydrophobicContact CG-CE 4.2Å; M342-M346 WeakPolarHBondContact O-CG 3.35Å; M342-M346 PolarHBondContact O-N 3.33Å; E343-M346 PolarHBondContact O-N 3.39Å; M346-R350 VanDerWaalsContact O-CB 3.32Å; M346-R350 WeakPolarHBondContact O-CB 3.33Å; M346-R350 PolarHBondContact O-N 3.36Å
347K71.4Confident72.1Confident103 Ų103102.2 Ų102.245%0.44849%0.492SS..Hα-helixtrans-65.4-47.5176.2-172.9178.2176.5-176.60111.7E343 K344 L345 Q349 R350 E351E343-K347 WeakPolarHBondContact O-CB 3.4Å; E343-K347 PolarHBondContact O-N 2.92Å; K344-K347 PolarHBondContact O-N 3.15Å; L345-K347 VanDerWaalsContact C-N 3.3Å; L345-K347 PolarHBondContact O-N 3.3Å; K347-Q349 PolarHBondContact O-N 3.08Å; K347-R350 WeakPolarHBondContact O-CB 3.29Å; K347-R350 PolarHBondContact O-N 3.07Å; K347-E351 WeakPolarHBondContact O-CG 2.85Å; K347-E351 PolarHBondContact O-N 3.04Å
348L74.8Confident73.9Confident89 Ų8997.7 Ų97.747%0.46648%0.475SS..Hα-helixtrans-62.6-40.5176.6-70.8170.1000112.3K344 L345 E351 K352K344-L348 WeakPolarHBondContact O-CG 3.45Å; K344-L348 PolarHBondContact O-N 2.95Å; K344-L348 VanDerWaalsContact O-N 3.1Å; L345-L348 PolarHBondContact O-N 3.22Å; L348-E351 PolarHBondContact O-N 2.85Å; L348-K352 PolarHBondContact O-N 2.99Å
349Q73.3Confident75.8Confident109 Ų10994.6 Ų94.651%0.50946%0.459SS..Hα-helixtrans-63-43.5174.4-75.5176.6-22.100111.5L345 K347 E351 K352 Q353L345-Q349 HydrophobicContact CD1-CG 4.5Å; L345-Q349 WeakPolarHBondContact O-CB 3.08Å; L345-Q349 WeakPolarHBondContact O-CG 3.38Å; L345-Q349 PolarHBondContact O-N 2.76Å; K347-Q349 PolarHBondContact O-N 3.08Å; Q349-E351 VanDerWaalsContact C-N 3.29Å; Q349-E351 PolarHBondContact O-N 2.95Å; Q349-K352 PolarHBondContact O-N 2.75Å; Q349-Q353 WeakPolarHBondContact O-CG 3.43Å; Q349-Q353 PolarHBondContact O-N 3.48Å
350R74.3Confident77.3Confident154 Ų15492.8 Ų92.858%0.58145%0.446SS*.Hα-helixtrans-63.8-35.3177.1-169.5-175.9-62.3145.22.8111.9M346 K347 K352 Q353 K355M346-R350 VanDerWaalsContact O-CB 3.32Å; M346-R350 WeakPolarHBondContact O-CB 3.33Å; M346-R350 PolarHBondContact O-N 3.36Å; K347-R350 WeakPolarHBondContact O-CB 3.29Å; K347-R350 PolarHBondContact O-N 3.07Å; R350-K352 VanDerWaalsContact C-N 3.32Å; R350-K352 PolarHBondContact O-N 2.82Å; R350-Q353 PolarHBondContact O-N 3.47Å; R350-K355 PolarHBondContact O-NZ 2.99Å
351E76.3Confident77.7Confident101 Ų10193.6 Ų93.647%0.47245%0.45SS..Hα-helixtrans-63.4-35.8177.8-78.5170-170.700112.5K347 L348 Q349 K355K347-E351 WeakPolarHBondContact O-CG 2.85Å; K347-E351 PolarHBondContact O-N 3.04Å; L348-E351 PolarHBondContact O-N 2.85Å; Q349-E351 VanDerWaalsContact C-N 3.29Å; Q349-E351 PolarHBondContact O-N 2.95Å; E351-K355 VanDerWaalsContact C-NZ 3.31Å; E351-K355 PolarHBondContact O-NZ 2.92Å
352K82.1Confident78.4Confident131 Ų13189.8 Ų89.857%0.5742%0.424SS*.Hα-helixtrans-81.9-11.6178.7-63.4-174.7178.7-167.90114.7L348 Q349 R350 D361 I362L348-K352 PolarHBondContact O-N 2.99Å; Q349-K352 PolarHBondContact O-N 2.75Å; R350-K352 VanDerWaalsContact C-N 3.32Å; R350-K352 PolarHBondContact O-N 2.82Å; K352-D361 WeakPolarHBondContact O-CA 3.21Å; K352-I362 WeakPolarHBondContact O-CG1 3.43Å; K352-I362 PolarHBondContact O-N 3.19Å
353Q85.7Confident79.4Confident63 Ų6385.8 Ų85.829%0.29441%0.407SS..BIsolated β-bridgetrans-84.2147.2179.5-75174.4-21.400113.8Q349 R350 K355 I362Q349-Q353 WeakPolarHBondContact O-CG 3.43Å; Q349-Q353 PolarHBondContact O-N 3.48Å; R350-Q353 PolarHBondContact O-N 3.47Å; Q353-K355 WeakPolarHBondContact O-CD 3.22Å; Q353-K355 VanDerWaalsContact O-CE 3.22Å; Q353-K355 WeakPolarHBondContact O-CE 3.4Å; Q353-K355 PolarHBondContact O-N 3.05Å; Q353-K355 PolarHBondContact O-NZ 3.27Å; Q353-I362 WeakPolarHBondContact O-CG2 3.37Å
354C84.4Confident80Confident0 Ų080.1 Ų80.10%038%0.38CS..  trans-56.4124.1174.8172.60000111.3I356 M358 R360 C375C354-I356 PolarHBondContact O-N 2.98Å; C354-I356 PolarHBondContact SG-N 3.14Å; C354-M358 WeakPolarHBondContact O-CA 3.36Å; C354-M358 PolarHBondContact O-N 3.21Å; C354-R360 WeakPolarHBondContact CA-O 3.33Å; C354-R360 WeakPolarHBondContact CB-O 3.41Å; C354-R360 PolarHBondContact N-O 3.43Å; C354-C375 HydrophobicContact CB-CB 3.85Å; C354-C375 PolarHBondContact SG-N 3.05Å
355K82.4Confident80.7Confident56 Ų5675.8 Ų75.824%0.24336%0.364CS..THydrogen-bonded Turntrans-77.18.4-175.3-45.7-56.9173.7-164.80114.6R86 R350 E351 Q353 M358 V373R86-K355 PolarHBondContact NH1-O 3.03Å; R350-K355 PolarHBondContact O-NZ 2.99Å; E351-K355 VanDerWaalsContact C-NZ 3.31Å; E351-K355 PolarHBondContact O-NZ 2.92Å; Q353-K355 WeakPolarHBondContact O-CD 3.22Å; Q353-K355 VanDerWaalsContact O-CE 3.22Å; Q353-K355 WeakPolarHBondContact O-CE 3.4Å; Q353-K355 PolarHBondContact O-N 3.05Å; Q353-K355 PolarHBondContact O-NZ 3.27Å; K355-M358 HydrophobicContact CB-CE 4.44Å; K355-V373 HydrophobicContact CB-CG2 3.69Å; K355-V373 HydrophobicContact CG-CG2 3.71Å; K355-V373 PolarHBondContact N-O 3.12Å
356I83.5Confident81.2Confident69 Ų6971.6 Ų71.635%0.35434%0.342SS..THydrogen-bonded Turntrans-108.5-59.9179.4-55.7167.8000109.1C354 C378 L382 P386C354-I356 PolarHBondContact O-N 2.98Å; C354-I356 PolarHBondContact SG-N 3.14Å; I356-C378 HydrophobicContact CB-CB 3.93Å; I356-C378 HydrophobicContact CD1-CB 3.74Å; I356-C378 HydrophobicContact CG1-CB 4.44Å; I356-C378 HydrophobicContact CG2-CB 3.99Å; I356-L382 HydrophobicContact CD1-CD1 3.56Å; I356-P386 HydrophobicContact CD1-CG 4.15Å
357C84.5Confident81.5Confident42 Ų4269.1 Ų69.128%0.28433%0.331SS..THydrogen-bonded Turntrans-91.1-17.2179.563.70000114.4D359 C378C357-D359 HydrophobicContact CB-CB 4.18Å; C357-D359 PolarHBondContact O-N 3.04Å; C357-C378 VanDerWaalsContact CB-SG 3.56Å; C357-C378 VanDerWaalsContact SG-SG 3.69Å
358M82.4Confident81.5Confident97 Ų9769.3 Ų69.348%0.47834%0.342SS..SBendtrans53.621.3-173.8-55.4-63.7-17300114.3C354 K355C354-M358 WeakPolarHBondContact O-CA 3.36Å; C354-M358 PolarHBondContact O-N 3.21Å; K355-M358 HydrophobicContact CB-CE 4.44Å
359D82.4Confident81.3Confident105 Ų10567 Ų6756%0.56133%0.333SS*.SBendtrans-119.8-46.1-169.5171.550.3000111.9C357C357-D359 HydrophobicContact CB-CB 4.18Å; C357-D359 PolarHBondContact O-N 3.04Å
360R87.3Confident81.4Confident88 Ų8864 Ų6433%0.33233%0.332SS..SBendtrans-106.7157.7-178.9-67.9173.5-68.4-82.96.8111.1C354 C375C354-R360 WeakPolarHBondContact CA-O 3.33Å; C354-R360 WeakPolarHBondContact CB-O 3.41Å; C354-R360 PolarHBondContact N-O 3.43Å; R360-C375 HydrophobicContact CB-CB 3.69Å; R360-C375 PolarHBondContact NE-SG 2.76Å
361D85.3Confident81.8Confident106 Ų10659.7 Ų59.757%0.56732%0.318SS*.BIsolated β-bridgetrans-66.8148.3177.9-61.6-33.2000113K352 C363 C375K352-D361 WeakPolarHBondContact O-CA 3.21Å; D361-C363 PolarHBondContact O-N 3.25Å; D361-C375 WeakPolarHBondContact O-CA 3.47Å; D361-C375 WeakPolarHBondContact O-CB 3.13Å
362I86.9Confident82.3Confident25 Ų2557.9 Ų57.913%0.12831%0.311CS..  trans-61.5133.6168.358.8-169.5000109.3K352 Q353 L372 I400K352-I362 WeakPolarHBondContact O-CG1 3.43Å; K352-I362 PolarHBondContact O-N 3.19Å; Q353-I362 WeakPolarHBondContact O-CG2 3.37Å; I362-L372 HydrophobicContact CB-CD1 4.32Å; I362-L372 HydrophobicContact CB-CG 4.28Å; I362-L372 HydrophobicContact CD1-CD2 4.33Å; I362-L372 HydrophobicContact CD1-CG 4.13Å; I362-L372 HydrophobicContact CG1-CD2 4.49Å; I362-L372 HydrophobicContact CG1-CG 4.2Å; I362-I400 HydrophobicContact CG1-CD1 3.91Å; I362-I400 WeakPolarHBondContact O-CD1 3.28Å
363C85.1Confident82.5Confident25 Ų2551.8 Ų51.817%0.16929%0.285CS..  trans-152.52.4177.255.70000114D361 S374 K376 K397 A398D361-C363 PolarHBondContact O-N 3.25Å; C363-S374 PolarHBondContact N-O 2.96Å; C363-K376 PolarHBondContact SG-N 3.03Å; C363-K397 CarbonylContact O-C 3.59Å; C363-K397 VanDerWaalsContact O-CA 3.26Å; C363-K397 WeakPolarHBondContact O-CA 3.1Å; C363-A398 PolarHBondContact O-N 3.37Å
364I85.2Confident82.6Confident7 Ų748.8 Ų48.84%0.03627%0.271CS..EExtended strand (participates in β ladder)trans-118.9124-178.3-55.9-64.2000110.9F366 L372 S374 K376 K395 I396 K397I364-F366 HydrophobicContact CG2-CD1 4.07Å; I364-F366 HydrophobicContact CG2-CE1 3.71Å; I364-F366 HydrophobicContact CG2-CZ 4.45Å; I364-L372 WeakPolarHBondContact O-CD1 3.48Å; I364-S374 PolarHBondContact N-O 3.16Å; I364-K376 HydrophobicContact CD1-CB 4.28Å; I364-K376 HydrophobicContact CD1-CG 4.4Å; I364-K376 HydrophobicContact CG1-CB 4.44Å; I364-K395 HydrophobicContact CG2-CB 3.9Å; I364-K395 HydrophobicContact CG2-CG 4.49Å; I364-I396 WeakPolarHBondContact CA-O 3.27Å; I364-K397 HydrophobicContact CD1-CB 4.15Å; I364-K397 HydrophobicContact CD1-CG 4.38Å
365V87.1Confident82.9Confident31 Ų3148.9 Ų48.919%0.18827%0.272CS..EExtended strand (participates in β ladder)trans-94.3134.3170.7-178.90000109.3I367 L372 I396 A398V365-I367 HydrophobicContact CG1-CD1 4.23Å; V365-L372 HydrophobicContact CG2-CB 4.23Å; V365-L372 HydrophobicContact CG2-CD1 3.93Å; V365-I396 PolarHBondContact N-O 3.09Å; V365-I396 PolarHBondContact O-N 3.25Å; V365-A398 HydrophobicContact CG2-CB 3.97Å
366F80.8Confident83.2Confident0 Ų052 Ų520%029%0.285CS..EExtended strand (participates in β ladder)trans-97.7128.3176.1-63.1-44000112.1I364 C369 G370 H371 V373 S374 L382 C385 P386 I392 K395I364-F366 HydrophobicContact CG2-CD1 4.07Å; I364-F366 HydrophobicContact CG2-CE1 3.71Å; I364-F366 HydrophobicContact CG2-CZ 4.45Å; F366-C369 CarbonylContact O-C 3.52Å; F366-C369 PolarHBondContact O-N 3.04Å; F366-C369 PolarHBondContact O-SG 2.94Å; F366-G370 WeakPolarHBondContact O-CA 3.28Å; F366-G370 PolarHBondContact O-N 3.26Å; F366-H371 PolarHBondContact N-O 2.94Å; F366-H371 VanDerWaalsContact N-O 3.11Å; F366-V373 HydrophobicContact CD2-CG1 3.97Å; F366-V373 HydrophobicContact CE2-CG1 3.53Å; F366-S374 WeakPolarHBondContact CZ-OG 3.37Å; F366-L382 HydrophobicContact CE2-CD1 4.05Å; F366-L382 HydrophobicContact CZ-CB 4.46Å; F366-L382 HydrophobicContact CZ-CD1 3.62Å; F366-C385 HydrophobicContact CD2-CB 4.13Å; F366-P386 HydrophobicContact CE2-CG 4.45Å; F366-I392 HydrophobicContact CB-CG1 4.11Å; F366-I392 HydrophobicContact CB-CG2 4.34Å; F366-I392 HydrophobicContact CD1-CD1 3.61Å; F366-I392 HydrophobicContact CD1-CG1 3.98Å; F366-I392 HydrophobicContact CD1-CG2 3.72Å; F366-I392 HydrophobicContact CD2-CD1 4.05Å; F366-I392 HydrophobicContact CD2-CG1 4.47Å; F366-I392 HydrophobicContact CE1-CD1 3.68Å; F366-I392 HydrophobicContact CE1-CG2 4.42Å; F366-I392 HydrophobicContact CE2-CD1 4.1Å; F366-I392 HydrophobicContact CG-CD1 3.8Å; F366-I392 HydrophobicContact CG-CG1 3.94Å; F366-I392 HydrophobicContact CG-CG2 4.31Å; F366-I392 HydrophobicContact CZ-CD1 3.92Å; F366-K395 HydrophobicContact CD1-CG 3.99Å; F366-K395 HydrophobicContact CE1-CD 4.35Å; F366-K395 HydrophobicContact CE1-CG 3.99Å
367I75.9Confident83.5Confident51 Ų5154.1 Ų54.126%0.26229%0.294SS..EExtended strand (participates in β ladder)trans-102.4136.5178.2-56.5-57.3000109.2V365 A393 Q394 I396V365-I367 HydrophobicContact CG1-CD1 4.23Å; I367-A393 PolarHBondContact O-N 3.12Å; I367-Q394 HydrophobicContact CB-CB 3.9Å; I367-Q394 HydrophobicContact CG1-CB 4.09Å; I367-Q394 HydrophobicContact CG2-CB 4.48Å; I367-Q394 PolarHBondContact N-O 3.28Å; I367-Q394 PolarHBondContact O-N 3.14Å; I367-I396 HydrophobicContact CD1-CD1 4.04Å; I367-I396 HydrophobicContact CG1-CD1 3.71Å; I367-I396 HydrophobicContact CG1-CG1 4.09Å
368P72.8Confident83.8Confident107 Ų10753.1 Ų53.170%0.69529%0.287SS*.THydrogen-bonded Turncis-88.6-5.19.834.3-35.8000115.9G370P368-G370 VanDerWaalsContact C-N 3.33Å; P368-G370 PolarHBondContact O-N 3.36Å
369C69.9Low84.2Confident40 Ų4048.7 Ų48.727%0.2727%0.265SS..THydrogen-bonded Turntrans-77.6-8-166.567.80000116.4F366 H371 C388F366-C369 CarbonylContact O-C 3.52Å; F366-C369 PolarHBondContact O-N 3.04Å; F366-C369 PolarHBondContact O-SG 2.94Å; C369-H371 PolarHBondContact O-N 3.41Å; C369-H371 VanDerWaalsContact O-N 3.13Å; C369-H371 PolarHBondContact O-ND1 3.13Å; C369-H371 PolarHBondContact SG-ND1 3.09Å; C369-H371 VanDerWaalsContact SG-ND1 3.44Å; C369-C388 WeakPolarHBondContact CB-SG 3.1Å; C369-C388 PolarHBondContact SG-SG 3.12Å
370G75.3Confident84.5Confident47 Ų4749.8 Ų49.849%0.48527%0.267SS..  trans72.10.1175.900000116F366 P368 L372F366-G370 WeakPolarHBondContact O-CA 3.28Å; F366-G370 PolarHBondContact O-N 3.26Å; P368-G370 VanDerWaalsContact C-N 3.33Å; P368-G370 PolarHBondContact O-N 3.36Å; G370-L372 PolarHBondContact O-N 3.01Å
371H82.8Confident84.4Confident63 Ų6350.6 Ų50.629%0.29229%0.286SS..  trans-73.3126.2-173.7-71.2100000113.1F366 C369 I387F366-H371 PolarHBondContact N-O 2.94Å; F366-H371 VanDerWaalsContact N-O 3.11Å; C369-H371 PolarHBondContact O-N 3.41Å; C369-H371 VanDerWaalsContact O-N 3.13Å; C369-H371 PolarHBondContact O-ND1 3.13Å; C369-H371 PolarHBondContact SG-ND1 3.09Å; C369-H371 VanDerWaalsContact SG-ND1 3.44Å; H371-I387 HydrophobicContact CB-CB 4.37Å; H371-I387 HydrophobicContact CB-CG1 4.37Å; H371-I387 VanDerWaalsContact CD2-CG2 3.42Å; H371-I387 WeakPolarHBondContact CD2-CG2 3.3Å; H371-I387 WeakPolarHBondContact NE2-CG2 3.41Å
372L85.8Confident84.6Confident63 Ų6347.3 Ų47.333%0.3327%0.268SS..EExtended strand (participates in β ladder)trans-102.991.4176179.159.9000110.4I362 I364 V365 G370 A398 I400I362-L372 HydrophobicContact CB-CD1 4.32Å; I362-L372 HydrophobicContact CB-CG 4.28Å; I362-L372 HydrophobicContact CD1-CD2 4.33Å; I362-L372 HydrophobicContact CD1-CG 4.13Å; I362-L372 HydrophobicContact CG1-CD2 4.49Å; I362-L372 HydrophobicContact CG1-CG 4.2Å; I364-L372 WeakPolarHBondContact O-CD1 3.48Å; V365-L372 HydrophobicContact CG2-CB 4.23Å; V365-L372 HydrophobicContact CG2-CD1 3.93Å; G370-L372 PolarHBondContact O-N 3.01Å; L372-A398 HydrophobicContact CD1-CB 4.38Å; L372-I400 HydrophobicContact CD2-CD1 3.78Å; L372-I400 HydrophobicContact CD2-CG1 4.45Å
373V85.9Confident84.5Confident3 Ų351.7 Ų51.72%0.01830%0.296CS..EExtended strand (participates in β ladder)trans-130.9-17.6-167.663.10000114K355 F366 P386 I387K355-V373 HydrophobicContact CB-CG2 3.69Å; K355-V373 HydrophobicContact CG-CG2 3.71Å; K355-V373 PolarHBondContact N-O 3.12Å; F366-V373 HydrophobicContact CD2-CG1 3.97Å; F366-V373 HydrophobicContact CE2-CG1 3.53Å; V373-P386 HydrophobicContact CG1-CG 4.31Å; V373-I387 HydrophobicContact CB-CD1 4.26Å; V373-I387 HydrophobicContact CB-CG1 3.86Å; V373-I387 HydrophobicContact CG1-CG1 4.11Å; V373-I387 HydrophobicContact CG2-CD1 3.58Å; V373-I387 HydrophobicContact CG2-CG1 3.72Å
374S88.4Confident84.4Confident0 Ų056.8 Ų56.80%032%0.315CS..EExtended strand (participates in β ladder)trans-124.4151.1-170.2700000113.6C363 I364 F366 S379C363-S374 PolarHBondContact N-O 2.96Å; I364-S374 PolarHBondContact N-O 3.16Å; F366-S374 WeakPolarHBondContact CZ-OG 3.37Å; S374-S379 WeakPolarHBondContact OG-CB 3.42Å
375C91.4Very high84.1Confident2 Ų256.6 Ų56.61%0.01431%0.314CS..  trans-77.4165.8162.971.40000110.1C354 R360 D361 Q377 C378 S379C354-C375 HydrophobicContact CB-CB 3.85Å; C354-C375 PolarHBondContact SG-N 3.05Å; R360-C375 HydrophobicContact CB-CB 3.69Å; R360-C375 PolarHBondContact NE-SG 2.76Å; D361-C375 WeakPolarHBondContact O-CA 3.47Å; D361-C375 WeakPolarHBondContact O-CB 3.13Å; C375-Q377 PolarHBondContact O-N 2.91Å; C375-C378 PolarHBondContact O-N 3.35Å; C375-C378 PolarHBondContact SG-N 3.3Å; C375-C378 PolarHBondContact SG-SG 2.8Å; C375-S379 WeakPolarHBondContact O-CB 3.34Å; C375-S379 PolarHBondContact O-N 3.4Å
376K88.4Confident83.6Confident122 Ų12256.8 Ų56.853%0.5332%0.317SS..Hα-helixtrans-51.6-54.7-179.9-170.6179.9177-173.20112.8C363 I364 C378 S379C363-K376 PolarHBondContact SG-N 3.03Å; I364-K376 HydrophobicContact CD1-CB 4.28Å; I364-K376 HydrophobicContact CD1-CG 4.4Å; I364-K376 HydrophobicContact CG1-CB 4.44Å; K376-C378 PolarHBondContact O-N 3.22Å; K376-S379 WeakPolarHBondContact O-CB 3.21Å; K376-S379 PolarHBondContact O-N 3.47Å; K376-S379 VanDerWaalsContact O-N 3.15Å; K376-S379 PolarHBondContact O-OG 2.88Å
377Q89.8Confident83.4Confident113 Ų11361.2 Ų61.253%0.52834%0.339SS..Hα-helixtrans-59-45.8-179.9-85.899.3-4.100112.9C375 S379 E380C375-Q377 PolarHBondContact O-N 2.91Å; Q377-S379 PolarHBondContact O-N 3.03Å; Q377-E380 PolarHBondContact O-N 2.76Å
378C90.1Very high83.1Confident20 Ų2061.2 Ų61.214%0.13534%0.343CS..Hα-helixtrans-70.4-18.8-177.9-66.90000112.8I356 C357 C375 K376 L382I356-C378 HydrophobicContact CB-CB 3.93Å; I356-C378 HydrophobicContact CD1-CB 3.74Å; I356-C378 HydrophobicContact CG1-CB 4.44Å; I356-C378 HydrophobicContact CG2-CB 3.99Å; C357-C378 VanDerWaalsContact CB-SG 3.56Å; C357-C378 VanDerWaalsContact SG-SG 3.69Å; C375-C378 PolarHBondContact O-N 3.35Å; C375-C378 PolarHBondContact SG-N 3.3Å; C375-C378 PolarHBondContact SG-SG 2.8Å; K376-C378 PolarHBondContact O-N 3.22Å; C378-L382 WeakPolarHBondContact O-CD1 3.37Å; C378-L382 WeakPolarHBondContact O-CG 3.49Å
379S91.3Very high83.3Confident5 Ų560 Ų604%0.03534%0.337CS..Hα-helixtrans-76.4-23.8176.981.50000113.4S374 C375 K376 Q377 S381 L382 K395S374-S379 WeakPolarHBondContact OG-CB 3.42Å; C375-S379 WeakPolarHBondContact O-CB 3.34Å; C375-S379 PolarHBondContact O-N 3.4Å; K376-S379 WeakPolarHBondContact O-CB 3.21Å; K376-S379 PolarHBondContact O-N 3.47Å; K376-S379 VanDerWaalsContact O-N 3.15Å; K376-S379 PolarHBondContact O-OG 2.88Å; Q377-S379 PolarHBondContact O-N 3.03Å; S379-S381 PolarHBondContact O-N 2.85Å; S379-L382 PolarHBondContact O-N 3.49Å; S379-K395 VanDerWaalsContact O-CE 3.25Å; S379-K395 WeakPolarHBondContact O-CE 3.27Å; S379-K395 PolarHBondContact O-NZ 2.8Å
380E88.8Confident83.1Confident128 Ų12859.5 Ų59.560%0.59834%0.337SS*.Hα-helixtrans-62.4-45.2-167.2-73.6172.4-17500112.5Q377 L382 K395Q377-E380 PolarHBondContact O-N 2.76Å; E380-L382 VanDerWaalsContact C-N 3.33Å; E380-L382 PolarHBondContact O-N 3.28Å; E380-K395 PolarHBondContact O-NZ 3.41Å
381S86.4Confident83.1Confident104 Ų10460.7 Ų60.773%0.72734%0.343SS*.THydrogen-bonded Turntrans-82.1-6-179.856.90000114.6S379S379-S381 PolarHBondContact O-N 2.85Å
382L87.5Confident83.4Confident38 Ų3858.9 Ų58.920%0.19934%0.335CS..  trans-81.3123.9-176.8-67178.4000112.1I356 F366 C378 S379 E380 P386 I392 K395I356-L382 HydrophobicContact CD1-CD1 3.56Å; F366-L382 HydrophobicContact CE2-CD1 4.05Å; F366-L382 HydrophobicContact CZ-CB 4.46Å; F366-L382 HydrophobicContact CZ-CD1 3.62Å; C378-L382 WeakPolarHBondContact O-CD1 3.37Å; C378-L382 WeakPolarHBondContact O-CG 3.49Å; S379-L382 PolarHBondContact O-N 3.49Å; E380-L382 VanDerWaalsContact C-N 3.33Å; E380-L382 PolarHBondContact O-N 3.28Å; L382-P386 HydrophobicContact CD1-CG 3.57Å; L382-P386 HydrophobicContact CD2-CG 4.28Å; L382-I392 HydrophobicContact CB-CD1 3.75Å; L382-K395 WeakPolarHBondContact O-CE 3.39Å; L382-K395 PolarHBondContact O-NZ 3.41Å
383V85.4Confident83.1Confident117 Ų11759.7 Ų59.771%0.70935%0.351SS*.SBendtrans-102.8-17.1171.1-67.20000112.5I392V383-I392 PolarHBondContact O-N 2.83Å
384K82.9Confident82.8Confident132 Ų13265.1 Ų65.157%0.57438%0.376SS*.BIsolated β-bridgetrans-131.4146.1176.5-69.3-177.2177.2-170.10110.3C389 G390 I392K384-C389 WeakPolarHBondContact CD-O 3.49Å; K384-G390 CarbonylContact C-O 3.58Å; K384-G390 VanDerWaalsContact CA-O 3.3Å; K384-G390 WeakPolarHBondContact CA-O 3.09Å; K384-I392 WeakPolarHBondContact O-CD1 3.21Å
385C78.8Confident82.8Confident2 Ų269 Ų691%0.01439%0.393CS..  trans-66.3129.5178.8177.50000110.3F366 I387 C388 C389 G390 I392F366-C385 HydrophobicContact CD2-CB 4.13Å; C385-I387 PolarHBondContact O-N 3.33Å; C385-I387 PolarHBondContact SG-N 3.08Å; C385-I387 VanDerWaalsContact SG-N 3.39Å; C385-C388 VanDerWaalsContact CB-SG 3.58Å; C385-C389 WeakPolarHBondContact O-CA 3.32Å; C385-C389 PolarHBondContact O-N 3.2Å; C385-G390 PolarHBondContact N-O 3.42Å; C385-I392 HydrophobicContact CB-CG1 4.45Å
386P77.2Confident82.5Confident36 Ų3672.8 Ų72.823%0.23441%0.412CS..THydrogen-bonded Turntrans-67.6-11.4177.6-20.832.2000115.3I356 F366 V373 L382I356-P386 HydrophobicContact CD1-CG 4.15Å; F366-P386 HydrophobicContact CE2-CG 4.45Å; V373-P386 HydrophobicContact CG1-CG 4.31Å; L382-P386 HydrophobicContact CD1-CG 3.57Å; L382-P386 HydrophobicContact CD2-CG 4.28Å
387I77.5Confident82.4Confident92 Ų9272.2 Ų72.247%0.47241%0.41SS..THydrogen-bonded Turntrans-96.2-53.2-179.4-57.8-58.6000111H371 V373 C385H371-I387 HydrophobicContact CB-CB 4.37Å; H371-I387 HydrophobicContact CB-CG1 4.37Å; H371-I387 VanDerWaalsContact CD2-CG2 3.42Å; H371-I387 WeakPolarHBondContact CD2-CG2 3.3Å; H371-I387 WeakPolarHBondContact NE2-CG2 3.41Å; V373-I387 HydrophobicContact CB-CD1 4.26Å; V373-I387 HydrophobicContact CB-CG1 3.86Å; V373-I387 HydrophobicContact CG1-CG1 4.11Å; V373-I387 HydrophobicContact CG2-CD1 3.58Å; V373-I387 HydrophobicContact CG2-CG1 3.72Å; C385-I387 PolarHBondContact O-N 3.33Å; C385-I387 PolarHBondContact SG-N 3.08Å; C385-I387 VanDerWaalsContact SG-N 3.39Å
388C67.8Low81.7Confident52 Ų5268 Ų6835%0.35140%0.395SS..THydrogen-bonded Turntrans-109.93.3-174670000114.3C369 C385 G390C369-C388 WeakPolarHBondContact CB-SG 3.1Å; C369-C388 PolarHBondContact SG-SG 3.12Å; C385-C388 VanDerWaalsContact CB-SG 3.58Å; C388-G390 PolarHBondContact O-N 3.31Å
389C77.4Confident80.9Confident82 Ų8276.9 Ų76.955%0.55443%0.427SS*.  trans56.93.5-176.2-64.30000115.6K384 C385K384-C389 WeakPolarHBondContact CD-O 3.49Å; C385-C389 WeakPolarHBondContact O-CA 3.32Å; C385-C389 PolarHBondContact O-N 3.2Å
390G66.3Low79.4Confident28 Ų2881.3 Ų81.329%0.28945%0.449SS..  trans-64.6148.3177.500000112.3K384 C385 C388 I392K384-G390 CarbonylContact C-O 3.58Å; K384-G390 VanDerWaalsContact CA-O 3.3Å; K384-G390 WeakPolarHBondContact CA-O 3.09Å; C385-G390 PolarHBondContact N-O 3.42Å; C388-G390 PolarHBondContact O-N 3.31Å; G390-I392 PolarHBondContact O-N 3.03Å
391A75.9Confident77.2Confident73 Ų7381.9 Ų81.960%0.60349%0.489SS*.BIsolated β-bridgetrans-61.6133.5177.300000110.8A393A391-A393 PolarHBondContact O-N 2.81Å
392I88.6Confident76.7Confident24 Ų2480.8 Ų80.812%0.12348%0.477CS..  trans-88.4104.2177.4-59.7169.2000107.9F366 L382 V383 K384 C385 G390 Q394 K395F366-I392 HydrophobicContact CB-CG1 4.11Å; F366-I392 HydrophobicContact CB-CG2 4.34Å; F366-I392 HydrophobicContact CD1-CD1 3.61Å; F366-I392 HydrophobicContact CD1-CG1 3.98Å; F366-I392 HydrophobicContact CD1-CG2 3.72Å; F366-I392 HydrophobicContact CD2-CD1 4.05Å; F366-I392 HydrophobicContact CD2-CG1 4.47Å; F366-I392 HydrophobicContact CE1-CD1 3.68Å; F366-I392 HydrophobicContact CE1-CG2 4.42Å; F366-I392 HydrophobicContact CE2-CD1 4.1Å; F366-I392 HydrophobicContact CG-CD1 3.8Å; F366-I392 HydrophobicContact CG-CG1 3.94Å; F366-I392 HydrophobicContact CG-CG2 4.31Å; F366-I392 HydrophobicContact CZ-CD1 3.92Å; L382-I392 HydrophobicContact CB-CD1 3.75Å; V383-I392 PolarHBondContact O-N 2.83Å; K384-I392 WeakPolarHBondContact O-CD1 3.21Å; C385-I392 HydrophobicContact CB-CG1 4.45Å; G390-I392 PolarHBondContact O-N 3.03Å; I392-Q394 WeakPolarHBondContact CG2-O 3.32Å; I392-K395 HydrophobicContact CG2-CD 4.39Å; I392-K395 HydrophobicContact CG2-CG 3.6Å
393A79.3Confident76.2Confident80 Ų8083 Ų8366%0.66149%0.492SS*.SBendtrans-79.3-40.7173.300000111.4I367 A391I367-A393 PolarHBondContact O-N 3.12Å; A391-A393 PolarHBondContact O-N 2.81Å
394Q78.7Confident75.7Confident117 Ų11781.1 Ų81.155%0.54748%0.48SS..EExtended strand (participates in β ladder)trans-140.7153.5177.3-50.6-179.519.200111.8I367 I392I367-Q394 HydrophobicContact CB-CB 3.9Å; I367-Q394 HydrophobicContact CG1-CB 4.09Å; I367-Q394 HydrophobicContact CG2-CB 4.48Å; I367-Q394 PolarHBondContact N-O 3.28Å; I367-Q394 PolarHBondContact O-N 3.14Å; I392-Q394 WeakPolarHBondContact CG2-O 3.32Å
395K90.3Very high75.2Confident83 Ų8378.1 Ų78.136%0.36147%0.474SS..EExtended strand (participates in β ladder)trans-121.7107.9177.6-61175.1-172.6173.20107.6I364 F366 S379 E380 L382 I392I364-K395 HydrophobicContact CG2-CB 3.9Å; I364-K395 HydrophobicContact CG2-CG 4.49Å; F366-K395 HydrophobicContact CD1-CG 3.99Å; F366-K395 HydrophobicContact CE1-CD 4.35Å; F366-K395 HydrophobicContact CE1-CG 3.99Å; S379-K395 VanDerWaalsContact O-CE 3.25Å; S379-K395 WeakPolarHBondContact O-CE 3.27Å; S379-K395 PolarHBondContact O-NZ 2.8Å; E380-K395 PolarHBondContact O-NZ 3.41Å; L382-K395 WeakPolarHBondContact O-CE 3.39Å; L382-K395 PolarHBondContact O-NZ 3.41Å; I392-K395 HydrophobicContact CG2-CD 4.39Å; I392-K395 HydrophobicContact CG2-CG 3.6Å
396I84.8Confident75Confident81 Ų8182.9 Ų82.942%0.41550%0.503SS..EExtended strand (participates in β ladder)trans-107130.9-176.1-58.8-178.7000109I364 V365 I367 A398I364-I396 WeakPolarHBondContact CA-O 3.27Å; V365-I396 PolarHBondContact N-O 3.09Å; V365-I396 PolarHBondContact O-N 3.25Å; I367-I396 HydrophobicContact CD1-CD1 4.04Å; I367-I396 HydrophobicContact CG1-CD1 3.71Å; I367-I396 HydrophobicContact CG1-CG1 4.09Å; I396-A398 PolarHBondContact O-N 3.25Å
397K84.8Confident74.9Confident109 Ų10986 Ų8647%0.47452%0.521SS..EExtended strand (participates in β ladder)trans-77.7118.1173.7-170.7-178.3179.2-172.60109.7C363 I364C363-K397 CarbonylContact O-C 3.59Å; C363-K397 VanDerWaalsContact O-CA 3.26Å; C363-K397 WeakPolarHBondContact O-CA 3.1Å; I364-K397 HydrophobicContact CD1-CB 4.15Å; I364-K397 HydrophobicContact CD1-CG 4.38Å
398A76.9Confident74.7Confident26 Ų2685.6 Ų85.622%0.21552%0.524CS..  trans-85.5140.3170.700000110.1C363 V365 L372 I396 I400C363-A398 PolarHBondContact O-N 3.37Å; V365-A398 HydrophobicContact CG2-CB 3.97Å; L372-A398 HydrophobicContact CD1-CB 4.38Å; I396-A398 PolarHBondContact O-N 3.25Å; A398-I400 HydrophobicContact CB-CG1 4.37Å
399Y71.8Confident75.2Confident206 Ų20688.2 Ų88.281%0.80854%0.538SS*.  trans-98.499.7171.4-65.4-90.7000107.1
400I60.8Low75Confident97 Ų9788.7 Ų88.750%0.49754%0.536SS..  trans-92.4115.1178.2-48.4172.3000105.7I362 L372 A398I362-I400 HydrophobicContact CG1-CD1 3.91Å; I362-I400 WeakPolarHBondContact O-CD1 3.28Å; L372-I400 HydrophobicContact CD2-CD1 3.78Å; L372-I400 HydrophobicContact CD2-CG1 4.45Å; A398-I400 HydrophobicContact CB-CG1 4.37Å
401G42.3Very low75.8Confident140 Ų14094.2 Ų94.2100%1.44356%0.559SS**  trans-73.90-179.400000113.6

Retrieved 401 of 401 residues in 108.1 ms (Link to these results)

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