A0A060Y1P0_ONCMY Loading...

SCY1-like, kinase-like 3

AlphaFold DB , UniProt , Accession A0A060Y1P0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene scyl3, Length 768 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
1M35.7Very low46.2Very low243 Ų243109.5 Ų109.5100%1.19765%0.645SS**  0146.80-64.3-172-73.700108.5
2G34.7Very low48.6Very low62 Ų62109.9 Ų109.964%0.63964%0.64SS**  trans-166.776.3-168.100000114.7E4G2-E4 PolarHBondContact O-N 2.89Å
3A32.2Very low50.9Low78 Ų78106 Ų10665%0.64562%0.615SS**  trans47.254.5162.900000116S5A3-S5 PolarHBondContact O-N 3.29Å
4E40.5Very low53Low165 Ų165105.1 Ų105.177%0.77160%0.602SS**THydrogen-bonded Turntrans-70.245.317347.2-93.691.800114.9G2G2-E4 PolarHBondContact O-N 2.89Å
5S42.7Very low54.3Low106 Ų106108.9 Ų108.974%0.74161%0.612SS**THydrogen-bonded Turntrans-152.732.5175.863.20000115.9A3 A7A3-S5 PolarHBondContact O-N 3.29Å; S5-A7 PolarHBondContact O-N 3Å
6S41.5Very low55.8Low111 Ų111107.2 Ų107.278%0.77661%0.607SS**  trans-69.167.5167.7-68.40000112.5M8S6-M8 PolarHBondContact O-N 3.06Å
7A42.1Very low56.8Low65 Ų65104.3 Ų104.354%0.53759%0.589SS.*  trans-66.2115.9172.500000109.8S5 R9S5-A7 PolarHBondContact O-N 3Å; A7-R9 PolarHBondContact O-N 2.91Å
8M48.3Very low58Low60 Ų60101.2 Ų101.230%0.29657%0.571SS.*  trans-66.895.5169.8-76.1-156.5-76.200109.2S6 L31 S70S6-M8 PolarHBondContact O-N 3.06Å; M8-L31 HydrophobicContact CE-CD2 3.93Å; M8-S70 WeakPolarHBondContact CE-OG 3.13Å
9R56Low59Low209 Ų209100.1 Ų100.179%0.78957%0.566SS**SBendtrans-62.8131.7175.8-66.1177175.4170.1-1.8109A7 Q32A7-R9 PolarHBondContact O-N 2.91Å; R9-Q32 PolarHBondContact O-NE2 2.97Å
10S61.9Low59.5Low88 Ų8895.6 Ų95.662%0.61554%0.541SS*.  trans53.3100.4-168.267.90000114.8
11I72.8Confident59.7Low17 Ų1796.1 Ų96.19%0.08755%0.548CS..  trans-101.2131.1151.1-60.8171.6000105.3L13 A29 V39 V81I11-L13 HydrophobicContact CG2-CD2 4.33Å; I11-A29 HydrophobicContact CG2-CB 3.87Å; I11-V39 HydrophobicContact CG2-CG2 4.12Å; I11-V81 HydrophobicContact CD1-CG2 3.59Å
12I74.4Confident61Low115 Ų11587.3 Ų87.359%0.5951%0.51SS*.EExtended strand (participates in β ladder)trans-89.9113.7174-59177.7000107A29 V30I12-A29 VanDerWaalsContact O-CA 3.24Å; I12-A29 WeakPolarHBondContact O-CA 3.5Å; I12-A29 WeakPolarHBondContact O-CB 3.35Å; I12-V30 PolarHBondContact N-O 3.13Å; I12-V30 PolarHBondContact O-N 3.13Å
13L78.3Confident62.7Low59 Ų5985.9 Ų85.931%0.30950%0.496SS..EExtended strand (participates in β ladder)trans-79131.6167.6-58.5-175.6000108.8I11 Y27 A29 V39 V41I11-L13 HydrophobicContact CG2-CD2 4.33Å; L13-Y27 HydrophobicContact CB-CD1 4.5Å; L13-Y27 HydrophobicContact CD1-CG 4.46Å; L13-A29 HydrophobicContact CD2-CB 4.29Å; L13-V39 HydrophobicContact CD2-CB 3.84Å; L13-V39 HydrophobicContact CD2-CG1 4Å; L13-V39 HydrophobicContact CD2-CG2 3.85Å; L13-V41 HydrophobicContact CD1-CG2 4.47Å
14E80.4Confident65Low93 Ų9382.8 Ų82.844%0.43547%0.468SS..EExtended strand (participates in β ladder)trans-100.9-148.7173.1-57.8177.5153.200108.9S28 V30E14-S28 PolarHBondContact N-O 2.77Å; E14-S28 WeakPolarHBondContact OE2-CB 3.39Å; E14-S28 PolarHBondContact OE2-OG 3.08Å; E14-V30 WeakPolarHBondContact OE1-CG2 3.48Å
15E73.4Confident67.2Low162 Ų16276.2 Ų76.276%0.75744%0.439SS*.EExtended strand (participates in β ladder)trans-65.9145.6-179.5-62.1-175167.900112.7L17 S28E15-L17 PolarHBondContact O-N 3.43Å; E15-S28 PolarHBondContact O-N 2.9Å; E15-S28 VanDerWaalsContact O-N 3.14Å
16P77.5Confident69.5Low82 Ų8271.2 Ų71.253%0.53240%0.404SS..EExtended strand (participates in β ladder)trans-68123.6173.927.8-33.1000110.2T25 M26 Y27P16-T25 HydrophobicContact CB-CG2 3.97Å; P16-M26 CarbonylContact C-O 3.54Å; P16-Y27 HydrophobicContact CB-CD1 3.96Å; P16-Y27 HydrophobicContact CB-CE1 3.75Å; P16-Y27 HydrophobicContact CG-CE1 4.39Å
17L72.8Confident71.8Confident58 Ų5868.9 Ų68.930%0.30438%0.379SS..EExtended strand (participates in β ladder)trans-76.4-42.2-179-68.9171.9000111.9E15 M26E15-L17 PolarHBondContact O-N 3.43Å; L17-M26 HydrophobicContact CB-CG 4.18Å; L17-M26 HydrophobicContact CB-SD 4.03Å; L17-M26 HydrophobicContact CD1-CG 4.01Å; L17-M26 HydrophobicContact CD1-SD 3.65Å; L17-M26 HydrophobicContact CG-SD 4.49Å; L17-M26 PolarHBondContact N-O 2.98Å
18L77.9Confident74.1Confident49 Ų4966.1 Ų66.126%0.25736%0.356SS..EExtended strand (participates in β ladder)trans-165.3151.6177.6-174.857.7000110.3L20 T25 M26 P87L18-L20 HydrophobicContact CD2-CD2 3.82Å; L18-L20 HydrophobicContact CG-CD2 4.39Å; L18-T25 WeakPolarHBondContact O-CA 3.36Å; L18-M26 PolarHBondContact N-O 3.31Å; L18-M26 PolarHBondContact O-N 2.93Å; L18-P87 HydrophobicContact CB-CG 3.95Å; L18-P87 HydrophobicContact CD2-CB 3.63Å; L18-P87 HydrophobicContact CD2-CG 3.69Å; L18-P87 HydrophobicContact CG-CG 4.48Å
19T76.9Confident76Confident79 Ų7963.2 Ų63.249%0.48534%0.341SS..EExtended strand (participates in β ladder)trans-105.6115.5157.3-61.40000108.4L24 T25T19-L24 WeakPolarHBondContact CA-O 3.42Å; T19-T25 WeakPolarHBondContact OG1-CG2 3.1Å; T19-T25 PolarHBondContact OG1-OG1 3.49Å
20L70.2Confident77.6Confident11 Ų1155.5 Ų55.56%0.05832%0.317CS..  trans-67.8156.9-179.4-61.4171.3000110.7L18 S22 G23 L24 F131L18-L20 HydrophobicContact CD2-CD2 3.82Å; L18-L20 HydrophobicContact CG-CD2 4.39Å; L20-S22 PolarHBondContact O-N 3.49Å; L20-G23 PolarHBondContact O-N 2.93Å; L20-L24 HydrophobicContact CD1-CB 4.42Å; L20-L24 HydrophobicContact CD1-CD2 4.25Å; L20-L24 HydrophobicContact CD1-CG 4.42Å; L20-L24 PolarHBondContact N-O 3.49Å; L20-F131 HydrophobicContact CD1-CE1 4.49Å; L20-F131 HydrophobicContact CD1-CZ 4.2Å
21P64Low78.8Confident106 Ų10652.2 Ų52.269%0.68829%0.293SS*.THydrogen-bonded Turntrans-54.6-25.5178.2-27.936000114.7G23P21-G23 PolarHBondContact O-N 2.81Å
22S63.2Low79.2Confident58 Ų5857.7 Ų57.741%0.40632%0.318SS..THydrogen-bonded Turntrans-69-2.2172.857.70000114.9L20 L24L20-S22 PolarHBondContact O-N 3.49Å; S22-L24 VanDerWaalsContact C-N 3.33Å
23G69.3Low79.5Confident32 Ų3256.6 Ų56.633%0.3331%0.313SS..SBendtrans77.916.5-176.200000114.3L20 P21L20-G23 PolarHBondContact O-N 2.93Å; P21-G23 PolarHBondContact O-N 2.81Å
24L80.5Confident79.8Confident14 Ų1456.5 Ų56.57%0.07333%0.326CS..PPolyproline II helixtrans-94.3120.3178.1177.654.8000110.6T19 L20 S22 F40 V41 H42T19-L24 WeakPolarHBondContact CA-O 3.42Å; L20-L24 HydrophobicContact CD1-CB 4.42Å; L20-L24 HydrophobicContact CD1-CD2 4.25Å; L20-L24 HydrophobicContact CD1-CG 4.42Å; L20-L24 PolarHBondContact N-O 3.49Å; S22-L24 VanDerWaalsContact C-N 3.33Å; L24-F40 HydrophobicContact CD1-CB 4.12Å; L24-F40 HydrophobicContact CD2-CB 4.33Å; L24-F40 HydrophobicContact CD2-CD1 3.85Å; L24-F40 HydrophobicContact CG-CB 4.45Å; L24-F40 HydrophobicContact CG-CD1 4.24Å; L24-V41 WeakPolarHBondContact CD1-O 3.17Å; L24-H42 HydrophobicContact CD1-CB 4.37Å; L24-H42 VanDerWaalsContact CD2-CE1 3.41Å; L24-H42 WeakPolarHBondContact CD2-CE1 3.28Å
25T86.8Confident80.2Confident26 Ų2657.9 Ų57.916%0.1633%0.331CS..EExtended strand (participates in β ladder)trans-93.8126.6177.2-50.40000110.9P16 L18 T19 Y27 V41P16-T25 HydrophobicContact CB-CG2 3.97Å; L18-T25 WeakPolarHBondContact O-CA 3.36Å; T19-T25 WeakPolarHBondContact OG1-CG2 3.1Å; T19-T25 PolarHBondContact OG1-OG1 3.49Å; T25-Y27 HydrophobicContact CG2-CD2 4.01Å; T25-Y27 HydrophobicContact CG2-CE1 4.44Å; T25-Y27 HydrophobicContact CG2-CE2 3.39Å; T25-V41 PolarHBondContact O-N 3.25Å
26M90.6Very high81Confident1 Ų152.6 Ų52.61%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-92.8136.4168.9178.7-168.3-89.900109.6P16 L17 L18 V39 F40 V85 F131P16-M26 CarbonylContact C-O 3.54Å; L17-M26 HydrophobicContact CB-CG 4.18Å; L17-M26 HydrophobicContact CB-SD 4.03Å; L17-M26 HydrophobicContact CD1-CG 4.01Å; L17-M26 HydrophobicContact CD1-SD 3.65Å; L17-M26 HydrophobicContact CG-SD 4.49Å; L17-M26 PolarHBondContact N-O 2.98Å; L18-M26 PolarHBondContact N-O 3.31Å; L18-M26 PolarHBondContact O-N 2.93Å; M26-V39 CarbonylContact C-O 3.55Å; M26-V39 WeakPolarHBondContact CA-O 3.42Å; M26-F40 HydrophobicContact CE-CD1 4.43Å; M26-F40 HydrophobicContact CE-CE1 3.52Å; M26-F40 HydrophobicContact CE-CE2 3.91Å; M26-F40 HydrophobicContact CE-CZ 3.21Å; M26-V85 HydrophobicContact CE-CG2 3.87Å; M26-F131 HydrophobicContact CE-CD1 3.43Å; M26-F131 VanDerWaalsContact CE-CD1 3.43Å; M26-F131 HydrophobicContact CE-CE1 3.54Å; M26-F131 HydrophobicContact CE-CG 4.4Å
27Y90.1Very high81.8Confident62 Ų6248.7 Ų48.724%0.24329%0.285CS..EExtended strand (participates in β ladder)trans-118.3147.8173.6-66.7-98.2000111.3L13 P16 T25 V39 V41L13-Y27 HydrophobicContact CB-CD1 4.5Å; L13-Y27 HydrophobicContact CD1-CG 4.46Å; P16-Y27 HydrophobicContact CB-CD1 3.96Å; P16-Y27 HydrophobicContact CB-CE1 3.75Å; P16-Y27 HydrophobicContact CG-CE1 4.39Å; T25-Y27 HydrophobicContact CG2-CD2 4.01Å; T25-Y27 HydrophobicContact CG2-CE1 4.44Å; T25-Y27 HydrophobicContact CG2-CE2 3.39Å; Y27-V39 PolarHBondContact N-O 3.26Å; Y27-V39 PolarHBondContact O-N 3.32Å; Y27-V41 HydrophobicContact CD2-CB 4.22Å; Y27-V41 HydrophobicContact CD2-CG2 3.49Å; Y27-V41 VanDerWaalsContact CD2-CG2 3.49Å; Y27-V41 HydrophobicContact CE2-CB 3.91Å; Y27-V41 HydrophobicContact CE2-CG2 3.56Å
28S89.8Confident82.8Confident7 Ų746 Ų465%0.04927%0.271CS..EExtended strand (participates in β ladder)trans-67.9141.9159.5-178.70000108.8E14 E15 R84E14-S28 PolarHBondContact N-O 2.77Å; E14-S28 WeakPolarHBondContact OE2-CB 3.39Å; E14-S28 PolarHBondContact OE2-OG 3.08Å; E15-S28 PolarHBondContact O-N 2.9Å; E15-S28 VanDerWaalsContact O-N 3.14Å; S28-R84 PolarHBondContact OG-NH1 3.5Å; S28-R84 PolarHBondContact OG-NH2 3.03Å
29A89.4Confident83.5Confident0 Ų043.6 Ų43.60%026%0.259CS..EExtended strand (participates in β ladder)trans-149.9158.8176.800000113I11 I12 L13 A37 V39I11-A29 HydrophobicContact CG2-CB 3.87Å; I12-A29 VanDerWaalsContact O-CA 3.24Å; I12-A29 WeakPolarHBondContact O-CA 3.5Å; I12-A29 WeakPolarHBondContact O-CB 3.35Å; L13-A29 HydrophobicContact CD2-CB 4.29Å; A29-A37 PolarHBondContact N-O 2.81Å; A29-A37 PolarHBondContact O-N 3.26Å; A29-V39 HydrophobicContact CB-CG2 3.56Å
30V88.4Confident84.3Confident46 Ų4640.3 Ų40.328%0.27924%0.238SC..EExtended strand (participates in β ladder)trans-121.9135.3171.8-178.20000109.8I12 E14I12-V30 PolarHBondContact N-O 3.13Å; I12-V30 PolarHBondContact O-N 3.13Å; E14-V30 WeakPolarHBondContact OE1-CG2 3.48Å
31L87.6Confident85.3Confident20 Ų2041.2 Ų41.211%0.10524%0.243CC..  trans-85165.3178.7-56.9179.4000111.6M8 D33 G34 K35 A37 L69 V81M8-L31 HydrophobicContact CE-CD2 3.93Å; L31-D33 WeakPolarHBondContact CB-OD1 3.14Å; L31-D33 PolarHBondContact O-N 2.61Å; L31-D33 VanDerWaalsContact O-N 3.08Å; L31-G34 PolarHBondContact O-N 3.09Å; L31-K35 HydrophobicContact CD1-CB 4.42Å; L31-K35 PolarHBondContact N-O 3.2Å; L31-A37 HydrophobicContact CD1-CB 4.23Å; L31-A37 HydrophobicContact CD2-CB 3.89Å; L31-A37 HydrophobicContact CG-CB 3.91Å; L31-L69 HydrophobicContact CD1-CD1 3.84Å; L31-V81 HydrophobicContact CD2-CG1 4.12Å
32Q81.1Confident86.4Confident131 Ų13137 Ų3761%0.61222%0.215SC*.THydrogen-bonded Turntrans-53.8-30.9178.8-67-17712.600114.1R9 G34R9-Q32 PolarHBondContact O-NE2 2.97Å; Q32-G34 PolarHBondContact O-N 2.95Å
33D82.3Confident87.5Confident93 Ų9341.2 Ų41.250%0.49723%0.226SC..THydrogen-bonded Turntrans-88.112.3-179.668.8-11.3000113.4L31 K35L31-D33 WeakPolarHBondContact CB-OD1 3.14Å; L31-D33 PolarHBondContact O-N 2.61Å; L31-D33 VanDerWaalsContact O-N 3.08Å; D33-K35 PolarHBondContact O-N 3.37Å; D33-K35 WeakPolarHBondContact OD1-CB 3.36Å; D33-K35 WeakPolarHBondContact OD1-CG 3.49Å; D33-K35 PolarHBondContact OD1-N 3.04Å; D33-K35 WeakPolarHBondContact OD2-CD 3.41Å; D33-K35 IonicContact OD2-NZ 3.82Å; D33-K35 PolarHBondContact OD2-NZ 3.26Å
34G83.8Confident88.1Confident56 Ų5646.5 Ų46.558%0.57724%0.242SC*.SBendtrans75.92.7179.300000114.7L31 Q32L31-G34 PolarHBondContact O-N 3.09Å; Q32-G34 PolarHBondContact O-N 2.95Å
35K87.9Confident88.2Confident122 Ų12248.9 Ų48.953%0.5327%0.27SS..  trans-77.3139.2178.4-64.1-170.6-176.1960111.2L31 D33L31-K35 HydrophobicContact CD1-CB 4.42Å; L31-K35 PolarHBondContact N-O 3.2Å; D33-K35 PolarHBondContact O-N 3.37Å; D33-K35 WeakPolarHBondContact OD1-CB 3.36Å; D33-K35 WeakPolarHBondContact OD1-CG 3.49Å; D33-K35 PolarHBondContact OD1-N 3.04Å; D33-K35 WeakPolarHBondContact OD2-CD 3.41Å; D33-K35 IonicContact OD2-NZ 3.82Å; D33-K35 PolarHBondContact OD2-NZ 3.26Å
36P91.3Very high88.1Confident52 Ų5249.8 Ų49.834%0.33827%0.274SS..EExtended strand (participates in β ladder)trans-70.9148172.431.6-35.2000110.8R84P36-R84 HydrophobicContact CB-CB 4.11Å; P36-R84 HydrophobicContact CB-CG 4Å; P36-R84 HydrophobicContact CG-CB 4.21Å; P36-R84 HydrophobicContact CG-CG 4.32Å
37A93.8Very high88Confident0 Ų054 Ų540%029%0.293CS..EExtended strand (participates in β ladder)trans-142.1173.4177.100000110.1A29 L31 L69 V81 T82 R84A29-A37 PolarHBondContact N-O 2.81Å; A29-A37 PolarHBondContact O-N 3.26Å; L31-A37 HydrophobicContact CD1-CB 4.23Å; L31-A37 HydrophobicContact CD2-CB 3.89Å; L31-A37 HydrophobicContact CG-CB 3.91Å; A37-L69 HydrophobicContact CB-CD1 4.28Å; A37-V81 HydrophobicContact CB-CG1 4.21Å; A37-T82 WeakPolarHBondContact CB-O 3.21Å; A37-R84 WeakPolarHBondContact O-CD 3.31Å; A37-R84 PolarHBondContact O-NH1 3.45Å
38S94.1Very high87.9Confident0 Ų057.7 Ų57.70%032%0.317CS..EExtended strand (participates in β ladder)trans-122.3140.9166.2-58.40000109.1T82 V85S38-T82 PolarHBondContact N-O 3.03Å; S38-T82 PolarHBondContact O-N 3.05Å; S38-T82 PolarHBondContact O-OG1 2.95Å; S38-V85 PolarHBondContact OG-N 2.69Å; S38-V85 PolarHBondContact OG-O 2.67Å
39V93.4Very high87.9Confident0 Ų061.8 Ų61.80%033%0.334CS..EExtended strand (participates in β ladder)trans-122.2125-178.1-1780000110.1I11 L13 M26 Y27 A29 V41 H79 L80 V81I11-V39 HydrophobicContact CG2-CG2 4.12Å; L13-V39 HydrophobicContact CD2-CB 3.84Å; L13-V39 HydrophobicContact CD2-CG1 4Å; L13-V39 HydrophobicContact CD2-CG2 3.85Å; M26-V39 CarbonylContact C-O 3.55Å; M26-V39 WeakPolarHBondContact CA-O 3.42Å; Y27-V39 PolarHBondContact N-O 3.26Å; Y27-V39 PolarHBondContact O-N 3.32Å; A29-V39 HydrophobicContact CB-CG2 3.56Å; V39-V41 HydrophobicContact CG1-CG2 4.01Å; V39-H79 HydrophobicContact CG1-CB 3.77Å; V39-L80 WeakPolarHBondContact CA-O 3.42Å; V39-V81 HydrophobicContact CG2-CG1 4.22Å; V39-V81 HydrophobicContact CG2-CG2 4.28Å
40F92.2Very high88Confident10 Ų1061.8 Ų61.84%0.04433%0.334CS..EExtended strand (participates in β ladder)trans-96.7116.3173.9-63.4-98.6000108.6L24 M26 L66 L80 T82 F131L24-F40 HydrophobicContact CD1-CB 4.12Å; L24-F40 HydrophobicContact CD2-CB 4.33Å; L24-F40 HydrophobicContact CD2-CD1 3.85Å; L24-F40 HydrophobicContact CG-CB 4.45Å; L24-F40 HydrophobicContact CG-CD1 4.24Å; M26-F40 HydrophobicContact CE-CD1 4.43Å; M26-F40 HydrophobicContact CE-CE1 3.52Å; M26-F40 HydrophobicContact CE-CE2 3.91Å; M26-F40 HydrophobicContact CE-CZ 3.21Å; F40-L66 HydrophobicContact CE2-CD2 3.83Å; F40-L66 HydrophobicContact CZ-CD2 3.79Å; F40-L80 HydrophobicContact CB-CB 4.25Å; F40-L80 PolarHBondContact N-O 3.48Å; F40-L80 PolarHBondContact O-N 2.95Å; F40-T82 HydrophobicContact CD2-CG2 4.07Å; F40-T82 HydrophobicContact CE2-CG2 3.8Å; F40-F131 AromaticContact CE1-CE1 3.8Å; F40-F131 HydrophobicContact CE1-CE1 3.8Å; F40-F131 HydrophobicContact CE1-CE2 4.39Å; F40-F131 AromaticContact CE1-CZ 3.7Å; F40-F131 HydrophobicContact CE1-CZ 3.7Å; F40-F131 HydrophobicContact CZ-CD1 4.31Å; F40-F131 AromaticContact CZ-CE1 3.96Å; F40-F131 HydrophobicContact CZ-CE1 3.96Å; F40-F131 HydrophobicContact CZ-CE2 4.31Å; F40-F131 AromaticContact CZ-CZ 3.98Å; F40-F131 HydrophobicContact CZ-CZ 3.98Å
41V90.9Very high88.1Confident29 Ų2964 Ų6418%0.17635%0.345CS..EExtended strand (participates in β ladder)trans-102.1100.6-175179.10000109.9L13 L24 T25 Y27 V39L13-V41 HydrophobicContact CD1-CG2 4.47Å; L24-V41 WeakPolarHBondContact CD1-O 3.17Å; T25-V41 PolarHBondContact O-N 3.25Å; Y27-V41 HydrophobicContact CD2-CB 4.22Å; Y27-V41 HydrophobicContact CD2-CG2 3.49Å; Y27-V41 VanDerWaalsContact CD2-CG2 3.49Å; Y27-V41 HydrophobicContact CE2-CB 3.91Å; Y27-V41 HydrophobicContact CE2-CG2 3.56Å; V39-V41 HydrophobicContact CG1-CG2 4.01Å
42H88.5Confident88.4Confident18 Ų1865.9 Ų65.98%0.08335%0.352CS..EExtended strand (participates in β ladder)trans-89140.4177.6-59.3-106.2000111L24 N46 V50 G77 I78L24-H42 HydrophobicContact CD1-CB 4.37Å; L24-H42 VanDerWaalsContact CD2-CE1 3.41Å; L24-H42 WeakPolarHBondContact CD2-CE1 3.28Å; H42-N46 HydrophobicContact CB-CB 4.48Å; H42-V50 HydrophobicContact CB-CG2 3.64Å; H42-V50 VanDerWaalsContact CD2-CG2 3.47Å; H42-V50 WeakPolarHBondContact CD2-CG2 3.36Å; H42-G77 CarbonylContact O-C 3.53Å; H42-G77 VanDerWaalsContact O-CA 3.28Å; H42-G77 WeakPolarHBondContact O-CA 3.39Å; H42-I78 HydrophobicContact CB-CB 4.33Å; H42-I78 PolarHBondContact N-O 3.13Å; H42-I78 PolarHBondContact O-N 2.74Å
43K86.6Confident89Confident146 Ų14659.7 Ų59.764%0.63532%0.323SS*.EExtended strand (participates in β ladder)trans-67.4144.7173.9-61.1175.9-175.1174.50110.8N46K43-N46 PolarHBondContact O-N 2.8Å; K43-N46 PolarHBondContact O-ND2 2.95Å
44Q80.9Confident89.6Confident144 Ų14455.4 Ų55.467%0.67330%0.301SS*.THydrogen-bonded Turntrans-48.5145.7174.6-162.8171.721.700112
45G82.1Confident90.1Very high64 Ų6459.8 Ų59.866%0.6630%0.304SS*.THydrogen-bonded Turntrans83.34.4-172.400000115.2
46N85.8Confident90.5Very high45 Ų4555.3 Ų55.324%0.24129%0.285CS..  trans-102.818.8167.4-68.2-85.9000112.8H42 K43 D48 K49 V50H42-N46 HydrophobicContact CB-CB 4.48Å; K43-N46 PolarHBondContact O-N 2.8Å; K43-N46 PolarHBondContact O-ND2 2.95Å; N46-D48 PolarHBondContact O-N 2.77Å; N46-K49 HydrophobicContact CB-CD 4.43Å; N46-K49 WeakPolarHBondContact O-CB 3.46Å; N46-K49 PolarHBondContact O-N 2.88Å; N46-K49 PolarHBondContact OD1-NZ 3.13Å; N46-V50 PolarHBondContact O-N 3.42Å; N46-V50 VanDerWaalsContact O-N 3.13Å
47E88.4Confident90.7Very high90 Ų9053.6 Ų53.642%0.42127%0.273SS..Hα-helixtrans-54.5-46.8-170.9-68.5170.9-146.300112.7K49 V50 N51 I78E47-K49 VanDerWaalsContact C-N 3.31Å; E47-K49 PolarHBondContact O-N 3.34Å; E47-V50 PolarHBondContact O-N 2.86Å; E47-N51 VanDerWaalsContact O-CB 3.27Å; E47-N51 WeakPolarHBondContact O-CB 3.28Å; E47-N51 VanDerWaalsContact O-CG 3.22Å; E47-N51 PolarHBondContact O-N 3.41Å; E47-N51 PolarHBondContact O-ND2 2.91Å; E47-N51 VanDerWaalsContact O-ND2 3.17Å; E47-I78 HydrophobicContact CB-CD1 4.14Å; E47-I78 HydrophobicContact CG-CD1 3.46Å; E47-I78 VanDerWaalsContact CG-CD1 3.46Å; E47-I78 HydrophobicContact CG-CG1 4.39Å
48D88.6Confident90.7Very high138 Ų13858.6 Ų58.674%0.73829%0.294SS*.Hα-helixtrans-60.5-38.4178-58.4-51.5000113.1N46 K52N46-D48 PolarHBondContact O-N 2.77Å; D48-K52 WeakPolarHBondContact O-CB 3.37Å; D48-K52 PolarHBondContact O-N 2.85Å
49K88.4Confident90.7Very high93 Ų9363.1 Ų63.140%0.40432%0.322SS..Hα-helixtrans-66.7-45.8178.5-61.5178.4-170161.90110.8N46 E47 K52 A53 E144N46-K49 HydrophobicContact CB-CD 4.43Å; N46-K49 WeakPolarHBondContact O-CB 3.46Å; N46-K49 PolarHBondContact O-N 2.88Å; N46-K49 PolarHBondContact OD1-NZ 3.13Å; E47-K49 VanDerWaalsContact C-N 3.31Å; E47-K49 PolarHBondContact O-N 3.34Å; K49-K52 PolarHBondContact O-N 3.1Å; K49-A53 WeakPolarHBondContact O-CB 3.17Å; K49-A53 PolarHBondContact O-N 3.16Å; K49-E144 HydrophobicContact CB-CB 4.01Å
50V91.1Very high90.8Very high0 Ų064.3 Ų64.30%033%0.329CS..Hα-helixtrans-68.7-41.1179.6-172.90000111H42 N46 E47 K52 A53 A54 I78 L80H42-V50 HydrophobicContact CB-CG2 3.64Å; H42-V50 VanDerWaalsContact CD2-CG2 3.47Å; H42-V50 WeakPolarHBondContact CD2-CG2 3.36Å; N46-V50 PolarHBondContact O-N 3.42Å; N46-V50 VanDerWaalsContact O-N 3.13Å; E47-V50 PolarHBondContact O-N 2.86Å; V50-K52 VanDerWaalsContact C-N 3.35Å; V50-K52 PolarHBondContact O-N 3.41Å; V50-A53 PolarHBondContact O-N 3.26Å; V50-A54 WeakPolarHBondContact O-CB 3.17Å; V50-A54 PolarHBondContact O-N 3.13Å; V50-I78 HydrophobicContact CB-CD1 4.36Å; V50-I78 HydrophobicContact CB-CG2 4.2Å; V50-I78 HydrophobicContact CG1-CG2 3.8Å; V50-I78 HydrophobicContact CG2-CB 4.3Å; V50-I78 HydrophobicContact CG2-CD1 3.93Å; V50-I78 HydrophobicContact CG2-CG2 4.36Å; V50-L80 HydrophobicContact CG1-CB 4.05Å
51N91.8Very high90.8Very high94 Ų9473.5 Ų73.550%0.50336%0.363SS..Hα-helixtrans-63.5-40.4175.5-72.9-29.9000111.6E47 K55E47-N51 VanDerWaalsContact O-CB 3.27Å; E47-N51 WeakPolarHBondContact O-CB 3.28Å; E47-N51 VanDerWaalsContact O-CG 3.22Å; E47-N51 PolarHBondContact O-N 3.41Å; E47-N51 PolarHBondContact O-ND2 2.91Å; E47-N51 VanDerWaalsContact O-ND2 3.17Å; N51-K55 VanDerWaalsContact O-CB 3.27Å; N51-K55 WeakPolarHBondContact O-CB 3.37Å; N51-K55 PolarHBondContact O-N 3.48Å
52K92.8Very high91Very high58 Ų5874.1 Ų74.125%0.25236%0.364SS..Hα-helixtrans-65.1-47.3174-175.2-179.1176-153.90112.2D48 K49 V50 K55 H56 E144 V146D48-K52 WeakPolarHBondContact O-CB 3.37Å; D48-K52 PolarHBondContact O-N 2.85Å; K49-K52 PolarHBondContact O-N 3.1Å; V50-K52 VanDerWaalsContact C-N 3.35Å; V50-K52 PolarHBondContact O-N 3.41Å; K52-K55 WeakPolarHBondContact O-CB 3.36Å; K52-K55 PolarHBondContact O-N 2.89Å; K52-H56 PolarHBondContact O-N 3.47Å; K52-H56 PolarHBondContact O-ND1 2.97Å; K52-E144 WeakPolarHBondContact CD-O 3.4Å; K52-E144 WeakPolarHBondContact CE-O 3.4Å; K52-E144 PolarHBondContact NZ-O 3.1Å; K52-V146 WeakPolarHBondContact CE-O 3.39Å; K52-V146 PolarHBondContact NZ-O 2.83Å
53A93.9Very high91.3Very high1 Ų177.8 Ų77.81%0.00839%0.389CS..Hα-helixtrans-59.6-49.1175.300000111.5K49 V50 K55 H56 L57 L80 M143 E144K49-A53 WeakPolarHBondContact O-CB 3.17Å; K49-A53 PolarHBondContact O-N 3.16Å; V50-A53 PolarHBondContact O-N 3.26Å; A53-K55 VanDerWaalsContact C-N 3.32Å; A53-K55 PolarHBondContact O-N 3.11Å; A53-H56 PolarHBondContact O-N 3.31Å; A53-L57 WeakPolarHBondContact O-CD1 3.17Å; A53-L57 VanDerWaalsContact O-CG 3.23Å; A53-L57 WeakPolarHBondContact O-CG 3.26Å; A53-L57 PolarHBondContact O-N 3.13Å; A53-L80 HydrophobicContact CB-CD2 4.43Å; A53-M143 HydrophobicContact CB-CB 4.18Å; A53-E144 HydrophobicContact CB-CB 4.25Å
54A94.6Very high91.8Very high4 Ų471.3 Ų71.33%0.03336%0.362CS..Hα-helixtrans-61.9-36.3176.700000112.7V50 K58 F68 L80V50-A54 WeakPolarHBondContact O-CB 3.17Å; V50-A54 PolarHBondContact O-N 3.13Å; A54-K58 WeakPolarHBondContact O-CB 3.4Å; A54-K58 WeakPolarHBondContact O-CD 3.46Å; A54-K58 WeakPolarHBondContact O-CG 3.42Å; A54-K58 PolarHBondContact O-N 3.06Å; A54-K58 VanDerWaalsContact O-N 3.14Å; A54-F68 HydrophobicContact CB-CD2 4.25Å; A54-F68 HydrophobicContact CB-CE2 3.72Å; A54-L80 HydrophobicContact CB-CD1 4.22Å
55K95.1Very high92.6Very high147 Ų14764.7 Ų64.764%0.63933%0.331SS*.Hα-helixtrans-61.6-48173.6-177.1-179180-177.40110.8N51 K52 A53 K58 T59N51-K55 VanDerWaalsContact O-CB 3.27Å; N51-K55 WeakPolarHBondContact O-CB 3.37Å; N51-K55 PolarHBondContact O-N 3.48Å; K52-K55 WeakPolarHBondContact O-CB 3.36Å; K52-K55 PolarHBondContact O-N 2.89Å; A53-K55 VanDerWaalsContact C-N 3.32Å; A53-K55 PolarHBondContact O-N 3.11Å; K55-K58 PolarHBondContact O-N 3.09Å; K55-T59 PolarHBondContact O-N 2.93Å; K55-T59 PolarHBondContact O-OG1 3.35Å; K55-T59 VanDerWaalsContact O-OG1 3.1Å
56H95.8Very high93.2Very high29 Ų2962 Ų6213%0.13430%0.302CS..Hα-helixtrans-64.8-48177.6-72.4140.1000112.8K52 A53 K58 T59 L60 M143 V146K52-H56 PolarHBondContact O-N 3.47Å; K52-H56 PolarHBondContact O-ND1 2.97Å; A53-H56 PolarHBondContact O-N 3.31Å; H56-K58 PolarHBondContact O-N 3.43Å; H56-T59 PolarHBondContact O-N 3.15Å; H56-T59 VanDerWaalsContact O-N 3.16Å; H56-T59 PolarHBondContact O-OG1 2.51Å; H56-L60 HydrophobicContact CB-CD1 4.19Å; H56-L60 WeakPolarHBondContact O-CB 3.13Å; H56-L60 PolarHBondContact O-N 3.25Å; H56-M143 HydrophobicContact CB-CB 3.86Å; H56-M143 HydrophobicContact CB-CG 4.43Å; H56-M143 PolarHBondContact ND1-O 3.37Å; H56-V146 PolarHBondContact CE1-O 2.95Å; H56-V146 VanDerWaalsContact CE1-O 3.29Å
57L95.4Very high93.7Very high16 Ų1666.3 Ų66.38%0.08432%0.315CS..Hα-helixtrans-65-21.3-179.8-60.8159.7000113.2A53 L66 F68 L80 M143A53-L57 WeakPolarHBondContact O-CD1 3.17Å; A53-L57 VanDerWaalsContact O-CG 3.23Å; A53-L57 WeakPolarHBondContact O-CG 3.26Å; A53-L57 PolarHBondContact O-N 3.13Å; L57-L66 HydrophobicContact CD2-CB 4.13Å; L57-L66 WeakPolarHBondContact CD2-O 3.49Å; L57-F68 HydrophobicContact CB-CB 3.74Å; L57-F68 HydrophobicContact CB-CD2 4.42Å; L57-F68 HydrophobicContact CB-CG 4.49Å; L57-L80 HydrophobicContact CD1-CD1 4.34Å; L57-L80 HydrophobicContact CD1-CD2 4.09Å; L57-M143 HydrophobicContact CD2-CB 4.33Å; L57-M143 HydrophobicContact CD2-CE 4.27Å; L57-M143 HydrophobicContact CD2-CG 3.41Å; L57-M143 VanDerWaalsContact CD2-CG 3.41Å; L57-M143 HydrophobicContact CG-CB 4.1Å; L57-M143 HydrophobicContact CG-CG 3.69Å
58K94.4Very high94Very high104 Ų10463.9 Ų63.945%0.45230%0.303SS..Hα-helixtrans-78.1-36.7173.5-77.3170.1-176.5-179.60113.3A54 K55 H56 R61 F68A54-K58 WeakPolarHBondContact O-CB 3.4Å; A54-K58 WeakPolarHBondContact O-CD 3.46Å; A54-K58 WeakPolarHBondContact O-CG 3.42Å; A54-K58 PolarHBondContact O-N 3.06Å; A54-K58 VanDerWaalsContact O-N 3.14Å; K55-K58 PolarHBondContact O-N 3.09Å; H56-K58 PolarHBondContact O-N 3.43Å; K58-R61 PolarHBondContact O-NE 2.8Å; K58-R61 VanDerWaalsContact O-NE 3.1Å; K58-F68 HydrophobicContact CD-CE1 4.26Å; K58-F68 HydrophobicContact CD-CZ 4.4Å; K58-F68 HydrophobicContact CG-CD1 3.77Å; K58-F68 HydrophobicContact CG-CD2 4.5Å; K58-F68 HydrophobicContact CG-CE1 3.95Å; K58-F68 HydrophobicContact CG-CG 4.07Å; K58-F68 HydrophobicContact CG-CZ 4.39Å
59T94.7Very high94.3Very high96 Ų9659.9 Ų59.959%0.58928%0.281SS*.Hα-helixtrans-96.4-40.9-172.456.20000113.1K55 H56 R61K55-T59 PolarHBondContact O-N 2.93Å; K55-T59 PolarHBondContact O-OG1 3.35Å; K55-T59 VanDerWaalsContact O-OG1 3.1Å; H56-T59 PolarHBondContact O-N 3.15Å; H56-T59 VanDerWaalsContact O-N 3.16Å; H56-T59 PolarHBondContact O-OG1 2.51Å; T59-R61 PolarHBondContact O-N 3.16Å; T59-R61 VanDerWaalsContact O-N 3.11Å
60L94.7Very high94.5Very high25 Ų2556.2 Ų56.213%0.13127%0.267CS..  trans-84.681.6179.7-62.2174.2000109.9H56 L65 F113 L114 V146H56-L60 HydrophobicContact CB-CD1 4.19Å; H56-L60 WeakPolarHBondContact O-CB 3.13Å; H56-L60 PolarHBondContact O-N 3.25Å; L60-L65 HydrophobicContact CB-CD1 3.96Å; L60-L65 WeakPolarHBondContact O-CD1 3.4Å; L60-F113 HydrophobicContact CB-CE1 4.28Å; L60-F113 HydrophobicContact CD2-CE1 4.37Å; L60-L114 HydrophobicContact CD1-CD1 3.64Å; L60-V146 HydrophobicContact CD1-CG1 4.44Å
61R93.3Very high94.5Very high203 Ų20358.3 Ų58.377%0.76628%0.281SS*.  trans-92.6109.6-178.6-61.2-175.3-177.3-164.81.4111.2K58 T59K58-R61 PolarHBondContact O-NE 2.8Å; K58-R61 VanDerWaalsContact O-NE 3.1Å; T59-R61 PolarHBondContact O-N 3.16Å; T59-R61 VanDerWaalsContact O-N 3.11Å
62H95.3Very high94.3Very high41 Ų4154.8 Ų54.819%0.1926%0.264CS..  trans-150.6143.7176.7174.6-100.9000109.8C64 L65 F113H62-C64 VanDerWaalsContact C-N 3.26Å; H62-C64 PolarHBondContact ND1-N 2.99Å; H62-C64 PolarHBondContact O-N 3.36Å; H62-C64 VanDerWaalsContact O-N 3.15Å; H62-L65 HydrophobicContact CB-CD1 3.9Å; H62-L65 HydrophobicContact CB-CG 3.94Å; H62-L65 PolarHBondContact O-N 2.94Å; H62-F113 HydrophobicContact CB-CD1 3.68Å; H62-F113 HydrophobicContact CB-CD2 4.01Å; H62-F113 HydrophobicContact CB-CE1 3.72Å; H62-F113 HydrophobicContact CB-CE2 4.05Å; H62-F113 HydrophobicContact CB-CG 3.84Å; H62-F113 HydrophobicContact CB-CZ 3.91Å; H62-F113 AromaticContact CD2-CD2 3.74Å; H62-F113 AromaticContact CD2-CG 3.78Å; H62-F113 AromaticContact CG-CG 3.75Å
63P93.8Very high93.9Very high96 Ų9657.1 Ų57.162%0.62328%0.283SS*.THydrogen-bonded Turntrans-58.6-32-171.3-28.236.8000115.4K139P63-K139 WeakPolarHBondContact O-CD 3.32Å; P63-K139 VanDerWaalsContact O-CE 3.23Å; P63-K139 WeakPolarHBondContact O-CE 3.28Å; P63-K139 PolarHBondContact O-NZ 3.48Å
64C97Very high93.3Very high9 Ų959.2 Ų59.26%0.06129%0.293CS..THydrogen-bonded Turntrans-95.310.2-178.4-44.20000113.2H62 D106 A110 K139 L140H62-C64 VanDerWaalsContact C-N 3.26Å; H62-C64 PolarHBondContact ND1-N 2.99Å; H62-C64 PolarHBondContact O-N 3.36Å; H62-C64 VanDerWaalsContact O-N 3.15Å; C64-D106 HydrophobicContact CB-CB 4.21Å; C64-D106 WeakPolarHBondContact CB-O 3.32Å; C64-A110 HydrophobicContact CB-CB 3.95Å; C64-A110 WeakPolarHBondContact O-CB 3.41Å; C64-K139 WeakPolarHBondContact O-CA 3.32Å; C64-L140 PolarHBondContact O-N 3.25Å
65L97.4Very high92.2Very high5 Ų566.6 Ų66.63%0.02633%0.331CS..BIsolated β-bridgetrans-98.6149.2163.4-58.3-179.8000108.6L60 H62 R67 A110 F113 L140 M143L60-L65 HydrophobicContact CB-CD1 3.96Å; L60-L65 WeakPolarHBondContact O-CD1 3.4Å; H62-L65 HydrophobicContact CB-CD1 3.9Å; H62-L65 HydrophobicContact CB-CG 3.94Å; H62-L65 PolarHBondContact O-N 2.94Å; L65-R67 PolarHBondContact O-N 3.31Å; L65-A110 HydrophobicContact CD2-CB 3.85Å; L65-F113 HydrophobicContact CD1-CD1 3.9Å; L65-F113 HydrophobicContact CD1-CE1 3.78Å; L65-L140 HydrophobicContact CD2-CB 4Å; L65-L140 HydrophobicContact CD2-CD2 4.19Å; L65-M143 HydrophobicContact CB-CE 4.31Å; L65-M143 HydrophobicContact CD2-CE 3.76Å; L65-M143 HydrophobicContact CG-CE 4.44Å
66L96Very high91.2Very high8 Ų862.1 Ų62.14%0.04233%0.327CS..PPolyproline II helixtrans-63128.7178.1-176.259.4000110.9F40 L57 T82 E83 V85 F131 K139 L140F40-L66 HydrophobicContact CE2-CD2 3.83Å; F40-L66 HydrophobicContact CZ-CD2 3.79Å; L57-L66 HydrophobicContact CD2-CB 4.13Å; L57-L66 WeakPolarHBondContact CD2-O 3.49Å; L66-T82 HydrophobicContact CD1-CG2 4.42Å; L66-T82 HydrophobicContact CD2-CG2 3.87Å; L66-T82 HydrophobicContact CG-CG2 3.91Å; L66-E83 HydrophobicContact CD1-CG 4.34Å; L66-V85 HydrophobicContact CD1-CB 4.35Å; L66-V85 HydrophobicContact CD1-CG1 3.66Å; L66-V85 HydrophobicContact CD1-CG2 3.73Å; L66-F131 HydrophobicContact CD2-CD2 4.21Å; L66-K139 HydrophobicContact CB-CB 4.32Å; L66-K139 HydrophobicContact CD1-CB 4.38Å; L66-L140 WeakPolarHBondContact CB-O 3.48Å; L66-L140 PolarHBondContact N-O 3.49Å
67R95.5Very high90.6Very high136 Ų13661 Ų6151%0.51332%0.324SS..PPolyproline II helixtrans-85.8118.7-175.7-171.8169.952.894.11.8112.8L65 T82 E83L65-R67 PolarHBondContact O-N 3.31Å; R67-T82 CarbonylContact O-C 3.3Å; R67-T82 VanDerWaalsContact O-CA 3.25Å; R67-T82 WeakPolarHBondContact O-CA 3.44Å; R67-T82 WeakPolarHBondContact O-CB 3.34Å; R67-E83 HydrophobicContact CB-CB 4.2Å; R67-E83 HydrophobicContact CB-CG 3.92Å; R67-E83 WeakPolarHBondContact CB-OE1 3.42Å; R67-E83 WeakPolarHBondContact CB-OE2 3.27Å; R67-E83 IonicContact CZ-OE2 3.85Å; R67-E83 VanDerWaalsContact CZ-OE2 3.27Å; R67-E83 PolarHBondContact N-OE1 3.12Å; R67-E83 IonicContact NE-OE2 2.74Å; R67-E83 PolarHBondContact NE-OE2 3.4Å; R67-E83 IonicContact NH2-OE2 3.29Å; R67-E83 PolarHBondContact NH2-OE2 3.39Å; R67-E83 PolarHBondContact O-N 3.1Å
68F95.4Very high90.4Very high38 Ų3860.6 Ų60.617%0.16732%0.321CS..EExtended strand (participates in β ladder)trans-63140.3170.6-179.1-91.2000112.5A54 L57 K58 S70 C71 L80A54-F68 HydrophobicContact CB-CD2 4.25Å; A54-F68 HydrophobicContact CB-CE2 3.72Å; L57-F68 HydrophobicContact CB-CB 3.74Å; L57-F68 HydrophobicContact CB-CD2 4.42Å; L57-F68 HydrophobicContact CB-CG 4.49Å; K58-F68 HydrophobicContact CD-CE1 4.26Å; K58-F68 HydrophobicContact CD-CZ 4.4Å; K58-F68 HydrophobicContact CG-CD1 3.77Å; K58-F68 HydrophobicContact CG-CD2 4.5Å; K58-F68 HydrophobicContact CG-CE1 3.95Å; K58-F68 HydrophobicContact CG-CG 4.07Å; K58-F68 HydrophobicContact CG-CZ 4.39Å; F68-S70 WeakPolarHBondContact CE2-O 3.47Å; F68-C71 HydrophobicContact CE2-CB 4.04Å; F68-C71 HydrophobicContact CZ-CB 4.15Å; F68-L80 HydrophobicContact CD2-CD1 3.75Å; F68-L80 HydrophobicContact CE2-CD1 3.71Å
69L94.2Very high90.2Very high54 Ų5455.9 Ų55.928%0.28330%0.301SS..EExtended strand (participates in β ladder)trans-116.4-54.7167.6-56.8-177000111.6L31 A37 V81 T82L31-L69 HydrophobicContact CD1-CD1 3.84Å; A37-L69 HydrophobicContact CB-CD1 4.28Å; L69-V81 HydrophobicContact CB-CG1 4.29Å; L69-V81 HydrophobicContact CD1-CG1 4.42Å; L69-V81 PolarHBondContact N-O 3.43Å; L69-T82 VanDerWaalsContact CD1-C 3.49Å; L69-T82 VanDerWaalsContact CD1-O 3.26Å; L69-T82 WeakPolarHBondContact CD1-O 3.37Å
70S92.1Very high90.1Very high16 Ų1651.8 Ų51.811%0.11228%0.276CS..EExtended strand (participates in β ladder)trans-156.5170.6178.868.30000112.5M8 F68 V81M8-S70 WeakPolarHBondContact CE-OG 3.13Å; F68-S70 WeakPolarHBondContact CE2-O 3.47Å; S70-V81 PolarHBondContact N-O 3.41Å; S70-V81 PolarHBondContact O-N 3.4Å; S70-V81 WeakPolarHBondContact OG-CB 3.38Å; S70-V81 VanDerWaalsContact OG-CG2 3.32Å; S70-V81 WeakPolarHBondContact OG-CG2 3.43Å
71C90.8Very high90.1Very high44 Ų4450.6 Ų50.630%0.29727%0.269SS..EExtended strand (participates in β ladder)trans-137.6140.6168.6-174.20000107.9F68 H79F68-C71 HydrophobicContact CE2-CB 4.04Å; F68-C71 HydrophobicContact CZ-CB 4.15Å; C71-H79 WeakPolarHBondContact CA-O 3.31Å
72S87.8Confident90.2Very high20 Ų2041 Ų4114%0.1423%0.233CC..EExtended strand (participates in β ladder)trans-155155.9179.657.30000111.2Q74 H79S72-Q74 PolarHBondContact OG-NE2 3.32Å; S72-H79 PolarHBondContact N-O 3.27Å; S72-H79 PolarHBondContact O-N 2.96Å
73V85.5Confident90.2Very high107 Ų10740 Ų4065%0.64823%0.229SC*.EExtended strand (participates in β ladder)trans-99.4124.6171.6-179.10000108G77 I78V73-G77 WeakPolarHBondContact CA-O 3.49Å; V73-G77 WeakPolarHBondContact CG1-O 3.36Å; V73-I78 HydrophobicContact CG2-CG2 4.35Å
74Q81.1Confident90.2Very high46 Ų4638 Ų3822%0.21521%0.209CC..EExtended strand (participates in β ladder)trans-146.8146-177.5-59.8-175.848.300108.7S72 G76 G77S72-Q74 PolarHBondContact OG-NE2 3.32Å; Q74-G76 PolarHBondContact O-N 3.24Å; Q74-G77 PolarHBondContact N-O 3.48Å; Q74-G77 CarbonylContact O-C 3.58Å; Q74-G77 PolarHBondContact O-N 3.13Å
75D70.9Confident90.1Very high158 Ų15837.7 Ų37.785%0.84521%0.206SC*.THydrogen-bonded Turntrans49.430.4170-52.6-32.1000116.9G77D75-G77 VanDerWaalsContact C-N 3.33Å
76G74.4Confident90Very high53 Ų5342 Ų4255%0.54623%0.226SC..THydrogen-bonded Turntrans81.36.8-17800000114.9Q74Q74-G76 PolarHBondContact O-N 3.24Å
77G83.5Confident89.9Confident7 Ų742.1 Ų42.17%0.07223%0.228CC..EExtended strand (participates in β ladder)trans-123.6175.3174.400000113.3H42 V73 Q74 D75H42-G77 CarbonylContact O-C 3.53Å; H42-G77 VanDerWaalsContact O-CA 3.28Å; H42-G77 WeakPolarHBondContact O-CA 3.39Å; V73-G77 WeakPolarHBondContact CA-O 3.49Å; V73-G77 WeakPolarHBondContact CG1-O 3.36Å; Q74-G77 PolarHBondContact N-O 3.48Å; Q74-G77 CarbonylContact O-C 3.58Å; Q74-G77 PolarHBondContact O-N 3.13Å; D75-G77 VanDerWaalsContact C-N 3.33Å
78I89.7Confident89.8Confident6 Ų635.7 Ų35.73%0.03120%0.204CC..EExtended strand (participates in β ladder)trans-113.8116.3175.7-38.5167.5000107.6H42 E47 V50 V73H42-I78 HydrophobicContact CB-CB 4.33Å; H42-I78 PolarHBondContact N-O 3.13Å; H42-I78 PolarHBondContact O-N 2.74Å; E47-I78 HydrophobicContact CB-CD1 4.14Å; E47-I78 HydrophobicContact CG-CD1 3.46Å; E47-I78 VanDerWaalsContact CG-CD1 3.46Å; E47-I78 HydrophobicContact CG-CG1 4.39Å; V50-I78 HydrophobicContact CB-CD1 4.36Å; V50-I78 HydrophobicContact CB-CG2 4.2Å; V50-I78 HydrophobicContact CG1-CG2 3.8Å; V50-I78 HydrophobicContact CG2-CB 4.3Å; V50-I78 HydrophobicContact CG2-CD1 3.93Å; V50-I78 HydrophobicContact CG2-CG2 4.36Å; V73-I78 HydrophobicContact CG2-CG2 4.35Å
79H91.6Very high89.6Confident6 Ų637.8 Ų37.83%0.02821%0.214CC..EExtended strand (participates in β ladder)trans-98.2101.5-175.4-66.7-171.9000108.8V39 C71 S72V39-H79 HydrophobicContact CG1-CB 3.77Å; C71-H79 WeakPolarHBondContact CA-O 3.31Å; S72-H79 PolarHBondContact N-O 3.27Å; S72-H79 PolarHBondContact O-N 2.96Å
80L93.1Very high89.4Confident10 Ų1039.2 Ų39.25%0.05223%0.226CC..EExtended strand (participates in β ladder)trans-87.2119.4169.4172.863.3000108.4V39 F40 V50 A53 A54 L57 F68V39-L80 WeakPolarHBondContact CA-O 3.42Å; F40-L80 HydrophobicContact CB-CB 4.25Å; F40-L80 PolarHBondContact N-O 3.48Å; F40-L80 PolarHBondContact O-N 2.95Å; V50-L80 HydrophobicContact CG1-CB 4.05Å; A53-L80 HydrophobicContact CB-CD2 4.43Å; A54-L80 HydrophobicContact CB-CD1 4.22Å; L57-L80 HydrophobicContact CD1-CD1 4.34Å; L57-L80 HydrophobicContact CD1-CD2 4.09Å; F68-L80 HydrophobicContact CD2-CD1 3.75Å; F68-L80 HydrophobicContact CE2-CD1 3.71Å
81V93.9Very high89.4Confident0 Ų039.9 Ų39.90%023%0.229CC..EExtended strand (participates in β ladder)trans-110126.5-170.4-169.30000109.4I11 L31 A37 V39 L69 S70I11-V81 HydrophobicContact CD1-CG2 3.59Å; L31-V81 HydrophobicContact CD2-CG1 4.12Å; A37-V81 HydrophobicContact CB-CG1 4.21Å; V39-V81 HydrophobicContact CG2-CG1 4.22Å; V39-V81 HydrophobicContact CG2-CG2 4.28Å; L69-V81 HydrophobicContact CB-CG1 4.29Å; L69-V81 HydrophobicContact CD1-CG1 4.42Å; L69-V81 PolarHBondContact N-O 3.43Å; S70-V81 PolarHBondContact N-O 3.41Å; S70-V81 PolarHBondContact O-N 3.4Å; S70-V81 WeakPolarHBondContact OG-CB 3.38Å; S70-V81 VanDerWaalsContact OG-CG2 3.32Å; S70-V81 WeakPolarHBondContact OG-CG2 3.43Å
82T95.1Very high89.5Confident0 Ų039 Ų390%022%0.221CC..EExtended strand (participates in β ladder)trans-126172.9-177.568.10000111.3A37 S38 F40 L66 R67 L69A37-T82 WeakPolarHBondContact CB-O 3.21Å; S38-T82 PolarHBondContact N-O 3.03Å; S38-T82 PolarHBondContact O-N 3.05Å; S38-T82 PolarHBondContact O-OG1 2.95Å; F40-T82 HydrophobicContact CD2-CG2 4.07Å; F40-T82 HydrophobicContact CE2-CG2 3.8Å; L66-T82 HydrophobicContact CD1-CG2 4.42Å; L66-T82 HydrophobicContact CD2-CG2 3.87Å; L66-T82 HydrophobicContact CG-CG2 3.91Å; R67-T82 CarbonylContact O-C 3.3Å; R67-T82 VanDerWaalsContact O-CA 3.25Å; R67-T82 WeakPolarHBondContact O-CA 3.44Å; R67-T82 WeakPolarHBondContact O-CB 3.34Å; L69-T82 VanDerWaalsContact CD1-C 3.49Å; L69-T82 VanDerWaalsContact CD1-O 3.26Å; L69-T82 WeakPolarHBondContact CD1-O 3.37Å
83E94.6Very high89.5Confident22 Ų2244.6 Ų44.610%0.10325%0.249CC..EExtended strand (participates in β ladder)trans-54.7157.4164.274.1-170.9158.500112.2L66 R67 V85 K139L66-E83 HydrophobicContact CD1-CG 4.34Å; R67-E83 HydrophobicContact CB-CB 4.2Å; R67-E83 HydrophobicContact CB-CG 3.92Å; R67-E83 WeakPolarHBondContact CB-OE1 3.42Å; R67-E83 WeakPolarHBondContact CB-OE2 3.27Å; R67-E83 IonicContact CZ-OE2 3.85Å; R67-E83 VanDerWaalsContact CZ-OE2 3.27Å; R67-E83 PolarHBondContact N-OE1 3.12Å; R67-E83 IonicContact NE-OE2 2.74Å; R67-E83 PolarHBondContact NE-OE2 3.4Å; R67-E83 IonicContact NH2-OE2 3.29Å; R67-E83 PolarHBondContact NH2-OE2 3.39Å; R67-E83 PolarHBondContact O-N 3.1Å; E83-V85 HydrophobicContact CG-CG1 4.07Å; E83-V85 PolarHBondContact O-N 1.81Å; E83-V85 VanDerWaalsContact O-N 3.17Å; E83-K139 IonicContact OE1-NZ 3.71Å; E83-K139 PolarHBondContact OE1-NZ 2.97Å; E83-K139 IonicContact OE2-NZ 2.88Å
84R94.9Very high89.6Confident54 Ų5443.6 Ų43.620%0.20425%0.247CC..SBendtrans-63.2115.5179.9-177.852.3158-132.20.2110.8S28 P36 A37 E134S28-R84 PolarHBondContact OG-NH1 3.5Å; S28-R84 PolarHBondContact OG-NH2 3.03Å; P36-R84 HydrophobicContact CB-CB 4.11Å; P36-R84 HydrophobicContact CB-CG 4Å; P36-R84 HydrophobicContact CG-CB 4.21Å; P36-R84 HydrophobicContact CG-CG 4.32Å; A37-R84 WeakPolarHBondContact O-CD 3.31Å; A37-R84 PolarHBondContact O-NH1 3.45Å; R84-E134 HydrophobicContact CB-CG 4.11Å; R84-E134 HydrophobicContact CG-CG 3.65Å; R84-E134 VanDerWaalsContact CG-OE1 3.29Å; R84-E134 WeakPolarHBondContact CG-OE1 3.32Å
85V95.4Very high90Very high2 Ų242.1 Ų42.11%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-142.2155.6175.5-61.80000111.2M26 S38 L66 E83 F131 V132 K139M26-V85 HydrophobicContact CE-CG2 3.87Å; S38-V85 PolarHBondContact OG-N 2.69Å; S38-V85 PolarHBondContact OG-O 2.67Å; L66-V85 HydrophobicContact CD1-CB 4.35Å; L66-V85 HydrophobicContact CD1-CG1 3.66Å; L66-V85 HydrophobicContact CD1-CG2 3.73Å; E83-V85 HydrophobicContact CG-CG1 4.07Å; E83-V85 PolarHBondContact O-N 1.81Å; E83-V85 VanDerWaalsContact O-N 3.17Å; V85-F131 HydrophobicContact CB-CB 3.84Å; V85-F131 HydrophobicContact CG1-CB 4.38Å; V85-F131 HydrophobicContact CG2-CB 3.75Å; V85-F131 HydrophobicContact CG2-CD1 4.37Å; V85-F131 HydrophobicContact CG2-CG 4.18Å; V85-V132 CarbonylContact C-O 3.52Å; V85-V132 WeakPolarHBondContact CA-O 3.44Å; V85-V132 WeakPolarHBondContact CB-O 3.28Å; V85-K139 HydrophobicContact CG1-CG 4.24Å
86Q93.6Very high90.8Very high95 Ų9536.2 Ų36.244%0.44421%0.21SC..EExtended strand (participates in β ladder)trans-110153.5168.4-68.5176.1-78.400109.7L91 F131 V132Q86-L91 HydrophobicContact CB-CD1 3.93Å; Q86-F131 CarbonylContact O-C 3.53Å; Q86-F131 WeakPolarHBondContact O-CA 3.24Å; Q86-F131 WeakPolarHBondContact O-CB 3.41Å; Q86-V132 PolarHBondContact N-O 2.91Å; Q86-V132 PolarHBondContact O-N 2.87Å
87P93.8Very high91.5Very high11 Ų1134 Ų347%0.07119%0.186CC..EExtended strand (participates in β ladder)trans-64.2147.8170.529.2-35.3000111L18 P90 F131L18-P87 HydrophobicContact CB-CG 3.95Å; L18-P87 HydrophobicContact CD2-CB 3.63Å; L18-P87 HydrophobicContact CD2-CG 3.69Å; L18-P87 HydrophobicContact CG-CG 4.48Å; P87-P90 HydrophobicContact CG-CG 4.02Å; P87-F131 HydrophobicContact CB-CD1 4.41Å; P87-F131 HydrophobicContact CB-CE1 4.48Å
88L94.6Very high91.7Very high1 Ų134 Ų341%0.00518%0.184CC..SBendtrans-69.4-43-17817657.7000113.3L91 L92 L95 M127 V130 V132 W138L88-L91 WeakPolarHBondContact O-CB 3.32Å; L88-L91 PolarHBondContact O-N 3.31Å; L88-L92 HydrophobicContact CD1-CD2 3.85Å; L88-L92 HydrophobicContact CD1-CG 4.5Å; L88-L92 HydrophobicContact CD2-CD2 4.41Å; L88-L92 HydrophobicContact CG-CD2 3.92Å; L88-L92 HydrophobicContact CG-CG 4.4Å; L88-L92 PolarHBondContact O-N 2.88Å; L88-L95 HydrophobicContact CD1-CD1 3.91Å; L88-M127 HydrophobicContact CD2-CE 3.43Å; L88-M127 VanDerWaalsContact CD2-CE 3.43Å; L88-M127 HydrophobicContact CD2-SD 4.46Å; L88-M127 HydrophobicContact CG-CE 3.9Å; L88-V130 HydrophobicContact CB-CB 4.1Å; L88-V130 HydrophobicContact CB-CG1 4.07Å; L88-V130 WeakPolarHBondContact CB-O 3.47Å; L88-V130 HydrophobicContact CD2-CB 3.88Å; L88-V130 HydrophobicContact CD2-CG1 3.59Å; L88-V130 HydrophobicContact CG-CG1 4.42Å; L88-V130 PolarHBondContact N-O 3.27Å; L88-V132 HydrophobicContact CB-CG2 4.37Å; L88-V132 HydrophobicContact CD1-CG2 3.8Å; L88-W138 HydrophobicContact CD1-CD2 4.26Å; L88-W138 HydrophobicContact CD1-CH2 4.05Å; L88-W138 HydrophobicContact CD1-CZ2 3.44Å; L88-W138 VanDerWaalsContact CD1-CZ2 3.44Å; L88-W138 HydrophobicContact CD2-CD2 4Å; L88-W138 HydrophobicContact CD2-CE3 3.76Å; L88-W138 HydrophobicContact CD2-CH2 3.57Å; L88-W138 HydrophobicContact CD2-CZ2 3.8Å; L88-W138 HydrophobicContact CD2-CZ3 3.54Å; L88-W138 HydrophobicContact CG-CH2 4.45Å; L88-W138 HydrophobicContact CG-CZ2 4.28Å
89E90.9Very high91.7Very high81 Ų8135.4 Ų35.438%0.37919%0.19SC..G310 helixtrans-53.3-46.3-170-67.2169.1-165.400114.2L91 L92 M127 S128E89-L91 VanDerWaalsContact C-N 3.25Å; E89-L91 PolarHBondContact O-N 2.89Å; E89-L92 PolarHBondContact O-N 3.47Å; E89-M127 HydrophobicContact CG-CB 3.73Å; E89-M127 VanDerWaalsContact OE1-CB 3.24Å; E89-M127 WeakPolarHBondContact OE1-CB 3.15Å; E89-S128 PolarHBondContact OE1-N 3.31Å
90P91.1Very high91.7Very high84 Ų8435.2 Ų35.255%0.54519%0.19SC..G310 helixtrans-72.3-12.3178-18.734.6000114.9P87P87-P90 HydrophobicContact CG-CG 4.02Å
91L91.9Very high91.8Very high31 Ų3134.8 Ų34.816%0.16219%0.187CC..G310 helixtrans-91.8-19.3179.3-63.8178.1000112.7Q86 L88 E89 D93 S94 L95 V132Q86-L91 HydrophobicContact CB-CD1 3.93Å; L88-L91 WeakPolarHBondContact O-CB 3.32Å; L88-L91 PolarHBondContact O-N 3.31Å; E89-L91 VanDerWaalsContact C-N 3.25Å; E89-L91 PolarHBondContact O-N 2.89Å; L91-D93 VanDerWaalsContact C-N 3.27Å; L91-D93 PolarHBondContact O-N 2.88Å; L91-D93 VanDerWaalsContact O-N 3.14Å; L91-S94 WeakPolarHBondContact O-CA 3.42Å; L91-S94 WeakPolarHBondContact O-CB 3.17Å; L91-S94 PolarHBondContact O-N 3.06Å; L91-S94 PolarHBondContact O-OG 2.73Å; L91-L95 PolarHBondContact O-N 3.39Å; L91-V132 HydrophobicContact CD1-CB 3.74Å; L91-V132 HydrophobicContact CD1-CG1 4.33Å; L91-V132 HydrophobicContact CD1-CG2 3.74Å
92L92.1Very high91.7Very high26 Ų2634.8 Ų34.814%0.13619%0.188CC..THydrogen-bonded Turntrans-50.3-42.5-173.3-72.5176.4000113.9L88 E89 S94 L95 L100 M127 L201 L204 K208L88-L92 HydrophobicContact CD1-CD2 3.85Å; L88-L92 HydrophobicContact CD1-CG 4.5Å; L88-L92 HydrophobicContact CD2-CD2 4.41Å; L88-L92 HydrophobicContact CG-CD2 3.92Å; L88-L92 HydrophobicContact CG-CG 4.4Å; L88-L92 PolarHBondContact O-N 2.88Å; E89-L92 PolarHBondContact O-N 3.47Å; L92-S94 PolarHBondContact O-N 3.33Å; L92-L95 PolarHBondContact O-N 3.25Å; L92-L100 HydrophobicContact CD2-CD2 4.09Å; L92-M127 HydrophobicContact CD1-CE 3.83Å; L92-M127 HydrophobicContact CD2-CE 3.85Å; L92-M127 HydrophobicContact CG-CE 4.34Å; L92-L201 HydrophobicContact CD2-CD2 3.73Å; L92-L204 HydrophobicContact CB-CD2 3.78Å; L92-L204 HydrophobicContact CD1-CD2 4.47Å; L92-L204 HydrophobicContact CD2-CD2 4.15Å; L92-L204 HydrophobicContact CG-CD2 4.35Å; L92-K208 WeakPolarHBondContact O-CE 3.39Å; L92-K208 PolarHBondContact O-NZ 3.15Å
93D88.8Confident91.7Very high136 Ų13634.8 Ų34.873%0.72719%0.188SC*.THydrogen-bonded Turntrans-66.6-24.9179.3-69.3-26.8000112.9L91 K208L91-D93 VanDerWaalsContact C-N 3.27Å; L91-D93 PolarHBondContact O-N 2.88Å; L91-D93 VanDerWaalsContact O-N 3.14Å; D93-K208 VanDerWaalsContact C-NZ 3.34Å; D93-K208 PolarHBondContact O-NZ 3.12Å
94S87.8Confident91.8Very high86 Ų8633.9 Ų33.960%0.60118%0.184SC*.THydrogen-bonded Turntrans-87.2-25.5179.669.10000115.2L91 L92L91-S94 WeakPolarHBondContact O-CA 3.42Å; L91-S94 WeakPolarHBondContact O-CB 3.17Å; L91-S94 PolarHBondContact O-N 3.06Å; L91-S94 PolarHBondContact O-OG 2.73Å; L92-S94 PolarHBondContact O-N 3.33Å
95L89.1Confident91.9Very high15 Ų1532.5 Ų32.58%0.07918%0.178CC..  trans-71.7146.2-173.7-62.8177.2000113.3L88 L91 L92 E99 L100 W138 K208L88-L95 HydrophobicContact CD1-CD1 3.91Å; L91-L95 PolarHBondContact O-N 3.39Å; L92-L95 PolarHBondContact O-N 3.25Å; L95-E99 VanDerWaalsContact CA-OE2 3.3Å; L95-E99 WeakPolarHBondContact CA-OE2 3.07Å; L95-E99 HydrophobicContact CB-CB 4.19Å; L95-E99 HydrophobicContact CD2-CB 4.18Å; L95-L100 HydrophobicContact CB-CD2 4.29Å; L95-L100 HydrophobicContact CB-CG 4.15Å; L95-L100 HydrophobicContact CD1-CD2 3.97Å; L95-W138 HydrophobicContact CD1-CZ2 3.79Å; L95-K208 WeakPolarHBondContact O-CD 3.43Å; L95-K208 WeakPolarHBondContact O-CE 3.21Å; L95-K208 PolarHBondContact O-NZ 3.1Å
96T87.4Confident92Very high35 Ų3532.5 Ų32.522%0.21518%0.179CC..  trans-77.7165170.791.50000112.4E98 E99 L100T96-E98 WeakPolarHBondContact CB-OE2 3.27Å; T96-E98 PolarHBondContact O-N 3.36Å; T96-E98 PolarHBondContact OG1-N 2.8Å; T96-E98 PolarHBondContact OG1-OE2 3.11Å; T96-E99 HydrophobicContact CG2-CG 4.35Å; T96-E99 PolarHBondContact N-OE2 3.08Å; T96-E99 PolarHBondContact O-N 2.59Å; T96-E99 PolarHBondContact OG1-N 3.38Å; T96-L100 WeakPolarHBondContact O-CG 3.24Å; T96-L100 PolarHBondContact O-N 2.77Å
97P89.3Confident92.2Very high5 Ų528 Ų283%0.03216%0.157CC..Hα-helixtrans-54-37.9170.8-27.136.5000113.9C101 L205 K208 I209 V217P97-C101 WeakPolarHBondContact O-CB 3.4Å; P97-C101 PolarHBondContact O-N 2.7Å; P97-L205 HydrophobicContact CB-CD1 3.71Å; P97-K208 HydrophobicContact CG-CB 3.91Å; P97-I209 HydrophobicContact CB-CG1 4.04Å; P97-I209 HydrophobicContact CG-CG1 4.04Å; P97-V217 HydrophobicContact CB-CB 3.96Å; P97-V217 HydrophobicContact CB-CG2 3.97Å
98E86.8Confident92.4Very high9 Ų927.5 Ų27.54%0.04215%0.154CC..Hα-helixtrans-70.6-38.8178.7-59.568.4-149.500111.6T96 C101 A102 G215 Y216 V217 P290 L293T96-E98 WeakPolarHBondContact CB-OE2 3.27Å; T96-E98 PolarHBondContact O-N 3.36Å; T96-E98 PolarHBondContact OG1-N 2.8Å; T96-E98 PolarHBondContact OG1-OE2 3.11Å; E98-C101 WeakPolarHBondContact O-CB 3.23Å; E98-C101 PolarHBondContact O-N 2.69Å; E98-A102 WeakPolarHBondContact O-CB 3.23Å; E98-A102 PolarHBondContact O-N 2.83Å; E98-G215 WeakPolarHBondContact OE1-CA 3.14Å; E98-Y216 PolarHBondContact OE1-N 3.47Å; E98-V217 HydrophobicContact CG-CG2 4.38Å; E98-P290 HydrophobicContact CG-CG 4.28Å; E98-L293 HydrophobicContact CB-CD2 3.69Å; E98-L293 HydrophobicContact CG-CD2 4.21Å
99E89.5Confident92.6Very high34 Ų3429.8 Ų29.816%0.15917%0.165CC..Hα-helixtrans-68.1-39174.2-66.2-176.5125.100112.1L95 T96 A102 G103 L293L95-E99 VanDerWaalsContact CA-OE2 3.3Å; L95-E99 WeakPolarHBondContact CA-OE2 3.07Å; L95-E99 HydrophobicContact CB-CB 4.19Å; L95-E99 HydrophobicContact CD2-CB 4.18Å; T96-E99 HydrophobicContact CG2-CG 4.35Å; T96-E99 PolarHBondContact N-OE2 3.08Å; T96-E99 PolarHBondContact O-N 2.59Å; T96-E99 PolarHBondContact OG1-N 3.38Å; E99-A102 PolarHBondContact O-N 3.32Å; E99-G103 PolarHBondContact O-N 3.21Å; E99-L293 HydrophobicContact CG-CD1 3.65Å
100L92.9Very high92.9Very high2 Ų226 Ų261%0.0115%0.147CC..Hα-helixtrans-61.5-45.9171.3-72169.9000111L92 L95 T96 G103 I104 W138 L201 L205 K208L92-L100 HydrophobicContact CD2-CD2 4.09Å; L95-L100 HydrophobicContact CB-CD2 4.29Å; L95-L100 HydrophobicContact CB-CG 4.15Å; L95-L100 HydrophobicContact CD1-CD2 3.97Å; T96-L100 WeakPolarHBondContact O-CG 3.24Å; T96-L100 PolarHBondContact O-N 2.77Å; L100-G103 PolarHBondContact O-N 3.25Å; L100-I104 WeakPolarHBondContact O-CD1 3.3Å; L100-I104 WeakPolarHBondContact O-CG1 3.45Å; L100-I104 PolarHBondContact O-N 2.94Å; L100-W138 HydrophobicContact CD2-CH2 4.09Å; L100-W138 HydrophobicContact CD2-CZ2 4.01Å; L100-L201 HydrophobicContact CD2-CD2 4.43Å; L100-L205 HydrophobicContact CB-CD1 4.14Å; L100-L205 HydrophobicContact CD1-CB 4.48Å; L100-L205 HydrophobicContact CD1-CD1 3.91Å; L100-K208 HydrophobicContact CD1-CD 3.73Å
101C93.6Very high93.3Very high1 Ų122 Ų221%0.00712%0.121CC..Hα-helixtrans-57.8-50.2174.6172.10000111.8P97 E98 G103 I104 Y105 V217 F252 N255P97-C101 WeakPolarHBondContact O-CB 3.4Å; P97-C101 PolarHBondContact O-N 2.7Å; E98-C101 WeakPolarHBondContact O-CB 3.23Å; E98-C101 PolarHBondContact O-N 2.69Å; C101-G103 VanDerWaalsContact C-N 3.34Å; C101-G103 PolarHBondContact O-N 3.47Å; C101-I104 PolarHBondContact O-N 3.08Å; C101-Y105 PolarHBondContact O-N 3.19Å; C101-V217 HydrophobicContact CB-CG2 4.34Å; C101-F252 HydrophobicContact CB-CE1 3.91Å; C101-F252 HydrophobicContact CB-CZ 4.03Å; C101-F252 PolarHBondContact SG-O 3.11Å; C101-N255 PolarHBondContact SG-ND2 3.47Å
102A92.8Very high93.6Very high1 Ų121.2 Ų21.21%0.00812%0.117CC..Hα-helixtrans-64.2-37.1179.600000113E98 E99 Y105 D106 F257 L258E98-A102 WeakPolarHBondContact O-CB 3.23Å; E98-A102 PolarHBondContact O-N 2.83Å; E99-A102 PolarHBondContact O-N 3.32Å; A102-Y105 WeakPolarHBondContact O-CB 3.37Å; A102-Y105 PolarHBondContact O-N 3.29Å; A102-D106 PolarHBondContact O-N 2.84Å; A102-F257 HydrophobicContact CB-CD1 4.06Å; A102-F257 HydrophobicContact CB-CE1 3.59Å; A102-L258 HydrophobicContact CB-CD2 4.21Å
103G95.4Very high93.9Very high0 Ų021.5 Ų21.50%012%0.117CC..Hα-helixtrans-67.2-43.517600000113.3E99 L100 C101 Y105 D106 L107 W138E99-G103 PolarHBondContact O-N 3.21Å; L100-G103 PolarHBondContact O-N 3.25Å; C101-G103 VanDerWaalsContact C-N 3.34Å; C101-G103 PolarHBondContact O-N 3.47Å; G103-Y105 PolarHBondContact O-N 2.95Å; G103-D106 PolarHBondContact O-N 3.45Å; G103-L107 PolarHBondContact O-N 3.49Å; G103-L107 VanDerWaalsContact O-N 3.09Å; G103-W138 VanDerWaalsContact C-CD2 3.46Å; G103-W138 VanDerWaalsContact O-CE3 3.25Å
104I97.2Very high94.3Very high3 Ų315 Ų152%0.0158%0.083CC..Hα-helixtrans-60.5-38.2172.5-65.9162.2000110.1L100 C101 L107 L108 W138 F194 V198 L201 F252 F253L100-I104 WeakPolarHBondContact O-CD1 3.3Å; L100-I104 WeakPolarHBondContact O-CG1 3.45Å; L100-I104 PolarHBondContact O-N 2.94Å; C101-I104 PolarHBondContact O-N 3.08Å; I104-L107 PolarHBondContact O-N 3.14Å; I104-L108 WeakPolarHBondContact O-CB 3.24Å; I104-L108 PolarHBondContact O-N 3.34Å; I104-W138 HydrophobicContact CG1-CH2 4.32Å; I104-W138 HydrophobicContact CG1-CZ3 4.02Å; I104-F194 HydrophobicContact CG2-CE2 4.29Å; I104-F194 HydrophobicContact CG2-CZ 3.77Å; I104-V198 HydrophobicContact CD1-CG1 4.25Å; I104-V198 HydrophobicContact CG1-CG2 4.4Å; I104-V198 HydrophobicContact CG2-CG1 4.48Å; I104-V198 HydrophobicContact CG2-CG2 3.77Å; I104-L201 HydrophobicContact CD1-CD1 4.16Å; I104-L201 HydrophobicContact CG1-CD1 4.11Å; I104-F252 HydrophobicContact CD1-CE1 4.49Å; I104-F253 HydrophobicContact CB-CE1 4.33Å; I104-F253 HydrophobicContact CG2-CE1 3.88Å; I104-F253 HydrophobicContact CG2-CZ 3.77Å
105Y96.9Very high94.7Very high24 Ų2411.3 Ų11.39%0.0946%0.056CC..Hα-helixtrans-66.5-43.3175.1-173.1-96.6000113.3C101 A102 G103 L107 L108 Q109 L248 F253 L258 N262C101-Y105 PolarHBondContact O-N 3.19Å; A102-Y105 WeakPolarHBondContact O-CB 3.37Å; A102-Y105 PolarHBondContact O-N 3.29Å; G103-Y105 PolarHBondContact O-N 2.95Å; Y105-L107 VanDerWaalsContact C-N 3.3Å; Y105-L107 PolarHBondContact O-N 2.81Å; Y105-L108 WeakPolarHBondContact O-CB 3.43Å; Y105-L108 PolarHBondContact O-N 3.38Å; Y105-L108 VanDerWaalsContact O-N 3.17Å; Y105-Q109 HydrophobicContact CD1-CG 4.12Å; Y105-Q109 HydrophobicContact CE1-CG 3.86Å; Y105-Q109 WeakPolarHBondContact O-CG 3.37Å; Y105-Q109 PolarHBondContact O-N 2.86Å; Y105-Q109 PolarHBondContact OH-NE2 3.06Å; Y105-L248 HydrophobicContact CD2-CD2 4.32Å; Y105-L248 HydrophobicContact CE2-CD2 3.69Å; Y105-F253 HydrophobicContact CD2-CB 3.89Å; Y105-F253 AromaticContact CD2-CD1 3.59Å; Y105-F253 HydrophobicContact CD2-CD1 3.59Å; Y105-F253 HydrophobicContact CD2-CE1 4.37Å; Y105-F253 AromaticContact CD2-CG 3.91Å; Y105-F253 HydrophobicContact CD2-CG 3.91Å; Y105-F253 HydrophobicContact CE2-CB 4.17Å; Y105-F253 HydrophobicContact CG-CD1 4.2Å; Y105-L258 HydrophobicContact CD1-CD1 4.35Å; Y105-L258 HydrophobicContact CD1-CD2 3.73Å; Y105-L258 HydrophobicContact CD2-CD1 3.94Å; Y105-L258 HydrophobicContact CE1-CD2 4.26Å; Y105-L258 HydrophobicContact CE2-CD1 4.44Å; Y105-L258 HydrophobicContact CG-CD1 3.86Å; Y105-L258 HydrophobicContact CG-CD2 3.99Å; Y105-N262 PolarHBondContact OH-ND2 3.37Å
106D97.4Very high95.1Very high3 Ų314.7 Ų14.72%0.0167%0.071CC..Hα-helixtrans-59-40.8175.3-77.5-30.1000111.1C64 A102 G103 Q109 A110 H137 W138 R297C64-D106 HydrophobicContact CB-CB 4.21Å; C64-D106 WeakPolarHBondContact CB-O 3.32Å; A102-D106 PolarHBondContact O-N 2.84Å; G103-D106 PolarHBondContact O-N 3.45Å; D106-Q109 PolarHBondContact O-N 2.85Å; D106-A110 PolarHBondContact O-N 3.1Å; D106-H137 VanDerWaalsContact CG-ND1 3.29Å; D106-H137 IonicContact OD1-CE1 2.7Å; D106-H137 IonicContact OD1-ND1 3.76Å; D106-H137 PolarHBondContact OD1-ND1 3.29Å; D106-H137 VanDerWaalsContact OD1-ND1 3.14Å; D106-H137 WeakPolarHBondContact OD2-CA 3.07Å; D106-H137 IonicContact OD2-CE1 3.72Å; D106-H137 IonicContact OD2-CG 1.81Å; D106-H137 IonicContact OD2-ND1 2.69Å; D106-H137 PolarHBondContact OD2-ND1 3.46Å; D106-W138 HydrophobicContact CB-CB 4.13Å; D106-W138 PolarHBondContact OD2-N 3.26Å; D106-R297 IonicContact OD2-NH2 2.6Å
107L98.1Very high95.4Very high0 Ų022.8 Ų22.80%010%0.098CC..Hα-helixtrans-69.1-37.4173.6-68.5-176.9000113.6G103 I104 Y105 Q109 A110 L111 V130 W138 L140 F194 M197G103-L107 PolarHBondContact O-N 3.49Å; G103-L107 VanDerWaalsContact O-N 3.09Å; I104-L107 PolarHBondContact O-N 3.14Å; Y105-L107 VanDerWaalsContact C-N 3.3Å; Y105-L107 PolarHBondContact O-N 2.81Å; L107-Q109 VanDerWaalsContact C-N 3.3Å; L107-Q109 PolarHBondContact O-N 2.75Å; L107-A110 WeakPolarHBondContact O-CB 3.34Å; L107-A110 PolarHBondContact O-N 3Å; L107-L111 WeakPolarHBondContact O-CG 3.46Å; L107-L111 PolarHBondContact O-N 3.21Å; L107-V130 HydrophobicContact CD1-CB 4.4Å; L107-V130 HydrophobicContact CD1-CG1 3.95Å; L107-V130 HydrophobicContact CD1-CG2 3.5Å; L107-V130 HydrophobicContact CD2-CG1 4.05Å; L107-V130 HydrophobicContact CD2-CG2 4.04Å; L107-V130 HydrophobicContact CG-CG1 4.36Å; L107-V130 HydrophobicContact CG-CG2 4.41Å; L107-W138 HydrophobicContact CD1-CE3 3.63Å; L107-W138 HydrophobicContact CD1-CZ3 4.14Å; L107-W138 HydrophobicContact CD2-CB 4.38Å; L107-W138 HydrophobicContact CG-CB 4.22Å; L107-W138 HydrophobicContact CG-CE3 3.98Å; L107-L140 HydrophobicContact CD2-CB 4.08Å; L107-L140 HydrophobicContact CD2-CD1 4.42Å; L107-F194 HydrophobicContact CB-CE2 4.23Å; L107-M197 HydrophobicContact CD1-CE 3.55Å; L107-M197 HydrophobicContact CD1-SD 4.28Å
108L97.9Very high95.7Very high0 Ų022.8 Ų22.80%010%0.099CC..Hα-helixtrans-59.4-45.2175.3-173.362.6000110.1I104 Y105 L111 I112 F194 L244 L247 L248 F253I104-L108 WeakPolarHBondContact O-CB 3.24Å; I104-L108 PolarHBondContact O-N 3.34Å; Y105-L108 WeakPolarHBondContact O-CB 3.43Å; Y105-L108 PolarHBondContact O-N 3.38Å; Y105-L108 VanDerWaalsContact O-N 3.17Å; L108-L111 PolarHBondContact O-N 2.87Å; L108-I112 HydrophobicContact CD1-CD1 4.24Å; L108-I112 HydrophobicContact CG-CD1 3.93Å; L108-I112 WeakPolarHBondContact O-CB 3.29Å; L108-I112 WeakPolarHBondContact O-CD1 3.29Å; L108-I112 WeakPolarHBondContact O-CG1 3.14Å; L108-I112 PolarHBondContact O-N 3.33Å; L108-F194 HydrophobicContact CB-CE2 4.38Å; L108-F194 HydrophobicContact CB-CZ 4.1Å; L108-F194 HydrophobicContact CD1-CE1 4.01Å; L108-F194 HydrophobicContact CD1-CZ 3.85Å; L108-F194 HydrophobicContact CG-CZ 4.5Å; L108-L244 HydrophobicContact CD1-CB 3.8Å; L108-L244 HydrophobicContact CD1-CD2 3.98Å; L108-L244 HydrophobicContact CD1-CG 4.31Å; L108-L247 HydrophobicContact CD1-CB 4.29Å; L108-L247 HydrophobicContact CD1-CD2 4.18Å; L108-L247 HydrophobicContact CD2-CB 4.18Å; L108-L247 HydrophobicContact CD2-CD2 4.27Å; L108-L248 HydrophobicContact CD2-CD2 3.72Å; L108-L248 HydrophobicContact CD2-CG 4.37Å; L108-L248 HydrophobicContact CG-CD2 4.11Å; L108-F253 HydrophobicContact CD2-CD2 4.3Å; L108-F253 HydrophobicContact CD2-CE2 4.01Å; L108-F253 HydrophobicContact CD2-CZ 4.11Å
109Q97.6Very high96.1Very high50 Ų5028 Ų2823%0.23412%0.121CC..Hα-helixtrans-61.1-43.4172.3-67.1-68.3-25.900112.4Y105 D106 L107 L111 F113Y105-Q109 HydrophobicContact CD1-CG 4.12Å; Y105-Q109 HydrophobicContact CE1-CG 3.86Å; Y105-Q109 WeakPolarHBondContact O-CG 3.37Å; Y105-Q109 PolarHBondContact O-N 2.86Å; Y105-Q109 PolarHBondContact OH-NE2 3.06Å; D106-Q109 PolarHBondContact O-N 2.85Å; L107-Q109 VanDerWaalsContact C-N 3.3Å; L107-Q109 PolarHBondContact O-N 2.75Å; Q109-L111 PolarHBondContact O-N 2.92Å; Q109-F113 WeakPolarHBondContact O-CB 3.37Å; Q109-F113 PolarHBondContact O-N 3.34Å
110A98.2Very high96.4Very high0 Ų026.5 Ų26.50%011%0.114CC..Hα-helixtrans-58.8-4417800000113.1C64 L65 D106 L107 L114 L140C64-A110 HydrophobicContact CB-CB 3.95Å; C64-A110 WeakPolarHBondContact O-CB 3.41Å; L65-A110 HydrophobicContact CD2-CB 3.85Å; D106-A110 PolarHBondContact O-N 3.1Å; L107-A110 WeakPolarHBondContact O-CB 3.34Å; L107-A110 PolarHBondContact O-N 3Å; A110-L114 PolarHBondContact O-N 3.47Å; A110-L114 VanDerWaalsContact O-N 3.15Å; A110-L140 HydrophobicContact CB-CB 4.23Å; A110-L140 HydrophobicContact CB-CD2 4.49Å
111L98.3Very high96.6Very high1 Ų126.4 Ų26.41%0.00511%0.114CC..Hα-helixtrans-75.6-40.7-179.1-66.3170.9000112L107 L108 Q109 F113 L114 H115 H122 V125 L140 F194 L244L107-L111 WeakPolarHBondContact O-CG 3.46Å; L107-L111 PolarHBondContact O-N 3.21Å; L108-L111 PolarHBondContact O-N 2.87Å; Q109-L111 PolarHBondContact O-N 2.92Å; L111-F113 VanDerWaalsContact C-N 3.3Å; L111-F113 PolarHBondContact O-N 2.93Å; L111-L114 WeakPolarHBondContact O-CB 3.39Å; L111-L114 PolarHBondContact O-N 3Å; L111-L114 VanDerWaalsContact O-N 3.09Å; L111-H115 WeakPolarHBondContact O-CB 3.46Å; L111-H115 PolarHBondContact O-N 3.17Å; L111-H122 HydrophobicContact CD2-CB 4.18Å; L111-V125 HydrophobicContact CD1-CG1 4.07Å; L111-V125 HydrophobicContact CD1-CG2 4.06Å; L111-V125 HydrophobicContact CD2-CG2 3.71Å; L111-L140 HydrophobicContact CD2-CD2 3.67Å; L111-L140 HydrophobicContact CG-CD2 4.37Å; L111-F194 HydrophobicContact CD1-CB 4.01Å; L111-F194 HydrophobicContact CD1-CD2 3.64Å; L111-F194 HydrophobicContact CD1-CE2 4.46Å; L111-F194 HydrophobicContact CD1-CG 4.1Å; L111-L244 HydrophobicContact CB-CD1 3.4Å; L111-L244 VanDerWaalsContact CB-CD1 3.4Å; L111-L244 HydrophobicContact CD1-CD1 3.77Å; L111-L244 HydrophobicContact CG-CD1 4.22Å
112I98.1Very high96.7Very high14 Ų1426.3 Ų26.37%0.07211%0.113CC..Hα-helixtrans-57.5-44.7173.2-69.8165.5000110.6L108 L114 H115 E116 L244 L248L108-I112 HydrophobicContact CD1-CD1 4.24Å; L108-I112 HydrophobicContact CG-CD1 3.93Å; L108-I112 WeakPolarHBondContact O-CB 3.29Å; L108-I112 WeakPolarHBondContact O-CD1 3.29Å; L108-I112 WeakPolarHBondContact O-CG1 3.14Å; L108-I112 PolarHBondContact O-N 3.33Å; I112-L114 PolarHBondContact O-N 2.9Å; I112-H115 PolarHBondContact O-N 3.37Å; I112-E116 HydrophobicContact CG2-CG 4.24Å; I112-E116 WeakPolarHBondContact O-CB 3.35Å; I112-E116 PolarHBondContact O-N 3.17Å; I112-L244 HydrophobicContact CD1-CB 4.31Å; I112-L244 HydrophobicContact CG1-CB 3.72Å; I112-L248 HydrophobicContact CD1-CD1 3.71Å; I112-L248 HydrophobicContact CD1-CD2 4.02Å; I112-L248 HydrophobicContact CD1-CG 3.76Å
113F98Very high96.8Very high33 Ų3326.3 Ų26.315%0.14511%0.113CC..Iπ-helixtrans-57.5-47.1173.1170.4-92000112.3L60 H62 L65 Q109 L111 R117 G118L60-F113 HydrophobicContact CB-CE1 4.28Å; L60-F113 HydrophobicContact CD2-CE1 4.37Å; H62-F113 HydrophobicContact CB-CD1 3.68Å; H62-F113 HydrophobicContact CB-CD2 4.01Å; H62-F113 HydrophobicContact CB-CE1 3.72Å; H62-F113 HydrophobicContact CB-CE2 4.05Å; H62-F113 HydrophobicContact CB-CG 3.84Å; H62-F113 HydrophobicContact CB-CZ 3.91Å; H62-F113 AromaticContact CD2-CD2 3.74Å; H62-F113 AromaticContact CD2-CG 3.78Å; H62-F113 AromaticContact CG-CG 3.75Å; L65-F113 HydrophobicContact CD1-CD1 3.9Å; L65-F113 HydrophobicContact CD1-CE1 3.78Å; Q109-F113 WeakPolarHBondContact O-CB 3.37Å; Q109-F113 PolarHBondContact O-N 3.34Å; L111-F113 VanDerWaalsContact C-N 3.3Å; L111-F113 PolarHBondContact O-N 2.93Å; F113-R117 HydrophobicContact CD2-CB 4.38Å; F113-R117 HydrophobicContact CD2-CG 4.49Å; F113-R117 HydrophobicContact CE2-CB 4.44Å; F113-R117 WeakPolarHBondContact O-CB 3.39Å; F113-R117 PolarHBondContact O-N 3.34Å; F113-R117 VanDerWaalsContact O-N 3.07Å; F113-G118 PolarHBondContact O-N 2.78Å
114L97.7Very high96.7Very high0 Ų026.8 Ų26.80%012%0.116CC..Iπ-helixtrans-64.9-39.3-179-17169.2000112.4L60 A110 L111 I112 G118 K119 S120 H122 V146L60-L114 HydrophobicContact CD1-CD1 3.64Å; A110-L114 PolarHBondContact O-N 3.47Å; A110-L114 VanDerWaalsContact O-N 3.15Å; L111-L114 WeakPolarHBondContact O-CB 3.39Å; L111-L114 PolarHBondContact O-N 3Å; L111-L114 VanDerWaalsContact O-N 3.09Å; I112-L114 PolarHBondContact O-N 2.9Å; L114-G118 CarbonylContact O-C 3.45Å; L114-G118 VanDerWaalsContact O-C 3.27Å; L114-G118 WeakPolarHBondContact O-CA 3.45Å; L114-G118 PolarHBondContact O-N 2.73Å; L114-K119 PolarHBondContact O-N 2.98Å; L114-S120 PolarHBondContact O-N 2.93Å; L114-S120 VanDerWaalsContact O-N 3.15Å; L114-H122 HydrophobicContact CD2-CB 3.72Å; L114-V146 HydrophobicContact CD1-CG1 4.31Å; L114-V146 HydrophobicContact CD2-CG2 4.48Å
115H97.4Very high96.7Very high7 Ų726.7 Ų26.73%0.03212%0.115CC..Iπ-helixtrans-75.8-54.7-179.8-63168000112L111 I112 K119 S120 F149 H187 D190L111-H115 WeakPolarHBondContact O-CB 3.46Å; L111-H115 PolarHBondContact O-N 3.17Å; I112-H115 PolarHBondContact O-N 3.37Å; H115-K119 WeakPolarHBondContact O-CA 3.49Å; H115-K119 WeakPolarHBondContact O-CD 3.26Å; H115-K119 PolarHBondContact O-N 3.47Å; H115-S120 PolarHBondContact CD2-O 2.93Å; H115-F149 HydrophobicContact CB-CZ 4.2Å; H115-H187 HydrophobicContact CB-CB 4.31Å; H115-D190 IonicContact CD2-OD2 3.48Å; H115-D190 IonicContact CE1-OD2 2.72Å; H115-D190 WeakPolarHBondContact NE2-CB 3.32Å; H115-D190 IonicContact NE2-OD2 3.33Å; H115-D190 PolarHBondContact NE2-OD2 3.29Å
116E96Very high96.6Very high87 Ų8725.7 Ų25.741%0.40711%0.112SC..Iπ-helixtrans-80.1-42.4-169.2-63.9-174.3173.300112.4I112 K119 S245I112-E116 HydrophobicContact CG2-CG 4.24Å; I112-E116 WeakPolarHBondContact O-CB 3.35Å; I112-E116 PolarHBondContact O-N 3.17Å; E116-K119 VanDerWaalsContact O-CE 3.3Å; E116-K119 WeakPolarHBondContact O-CE 3.38Å; E116-K119 PolarHBondContact O-NZ 3Å; E116-S245 WeakPolarHBondContact OE1-CB 3.44Å; E116-S245 PolarHBondContact OE1-OG 2.95Å
117R95.3Very high96.3Very high205 Ų20526.9 Ų26.977%0.77412%0.117SC*.Iπ-helixtrans-95.8-40.9178.1-55.7-170.5-174.9-168.20.3112.2F113F113-R117 HydrophobicContact CD2-CB 4.38Å; F113-R117 HydrophobicContact CD2-CG 4.49Å; F113-R117 HydrophobicContact CE2-CB 4.44Å; F113-R117 WeakPolarHBondContact O-CB 3.39Å; F113-R117 PolarHBondContact O-N 3.34Å; F113-R117 VanDerWaalsContact O-N 3.07Å
118G93.9Very high96Very high5 Ų528.2 Ų28.25%0.05213%0.127CC..THydrogen-bonded Turntrans-72.9-28.6-17900000114.5F113 L114 S120 K148F113-G118 PolarHBondContact O-N 2.78Å; L114-G118 CarbonylContact O-C 3.45Å; L114-G118 VanDerWaalsContact O-C 3.27Å; L114-G118 WeakPolarHBondContact O-CA 3.45Å; L114-G118 PolarHBondContact O-N 2.73Å; G118-S120 PolarHBondContact O-N 3.29Å; G118-S120 PolarHBondContact O-OG 3.03Å; G118-K148 PolarHBondContact O-NZ 2.91Å
119K95.6Very high95.8Very high117 Ų11728.4 Ų28.451%0.50913%0.128SC..  trans51.239.2-168.7-52.1-51.2-168-162.40112.5L114 H115 E116 F149L114-K119 PolarHBondContact O-N 2.98Å; H115-K119 WeakPolarHBondContact O-CA 3.49Å; H115-K119 WeakPolarHBondContact O-CD 3.26Å; H115-K119 PolarHBondContact O-N 3.47Å; E116-K119 VanDerWaalsContact O-CE 3.3Å; E116-K119 WeakPolarHBondContact O-CE 3.38Å; E116-K119 PolarHBondContact O-NZ 3Å; K119-F149 HydrophobicContact CB-CD2 4.25Å; K119-F149 HydrophobicContact CB-CE2 4.35Å; K119-F149 HydrophobicContact CD-CE2 4.38Å; K119-F149 WeakPolarHBondContact O-CG 3.31Å; K119-F149 PolarHBondContact O-N 2.86Å; K119-F149 VanDerWaalsContact O-N 3.08Å
120S96.7Very high95.8Very high3 Ų326 Ų262%0.02112%0.117CC..EExtended strand (participates in β ladder)trans-130.5148.4-174-69.80000111L114 H115 G118 C147 F149L114-S120 PolarHBondContact O-N 2.93Å; L114-S120 VanDerWaalsContact O-N 3.15Å; H115-S120 PolarHBondContact CD2-O 2.93Å; G118-S120 PolarHBondContact O-N 3.29Å; G118-S120 PolarHBondContact O-OG 3.03Å; S120-C147 CarbonylContact C-O 3.58Å; S120-C147 WeakPolarHBondContact CA-O 3.43Å; S120-C147 WeakPolarHBondContact CB-O 3.3Å; S120-C147 PolarHBondContact OG-O 2.73Å; S120-F149 VanDerWaalsContact O-CE1 3.23Å; S120-F149 WeakPolarHBondContact O-CE1 3.42Å
121S96Very high95.7Very high0 Ų026.3 Ų26.30%012%0.118CC..EExtended strand (participates in β ladder)trans-95.5149.6166.2-62.30000110N123 V146 C147 F149 A186 R189 D190S121-N123 WeakPolarHBondContact CB-OD1 3.47Å; S121-N123 PolarHBondContact O-ND2 3.24Å; S121-V146 VanDerWaalsContact O-CA 3.26Å; S121-V146 WeakPolarHBondContact O-CA 3.34Å; S121-C147 PolarHBondContact N-O 2.6Å; S121-C147 PolarHBondContact O-N 2.88Å; S121-C147 VanDerWaalsContact O-N 3.15Å; S121-F149 WeakPolarHBondContact OG-CD1 3.48Å; S121-A186 PolarHBondContact OG-O 3.31Å; S121-R189 PolarHBondContact OG-NH2 2.88Å; S121-D190 WeakPolarHBondContact CA-OD2 3.4Å
122H96.6Very high95.6Very high0 Ų026.8 Ų26.80%012%0.121CC..  trans-82.2-36.1170.4-177.5-110.4000111.8L111 L114 N124 V125 G141 T145 D190L111-H122 HydrophobicContact CD2-CB 4.18Å; L114-H122 HydrophobicContact CD2-CB 3.72Å; H122-N124 VanDerWaalsContact CE1-C 3.45Å; H122-N124 PolarHBondContact CE1-O 3.41Å; H122-N124 PolarHBondContact ND1-N 3.45Å; H122-N124 PolarHBondContact ND1-O 3.34Å; H122-N124 PolarHBondContact O-N 2.94Å; H122-V125 HydrophobicContact CB-CG2 4.01Å; H122-V125 WeakPolarHBondContact ND1-CG2 3.44Å; H122-V125 PolarHBondContact ND1-N 2.9Å; H122-G141 PolarHBondContact NE2-O 3.48Å; H122-G141 VanDerWaalsContact NE2-O 3.1Å; H122-T145 CarbonylContact O-C 3.44Å; H122-T145 VanDerWaalsContact O-C 3.3Å; H122-T145 WeakPolarHBondContact O-CB 3.33Å; H122-T145 PolarHBondContact O-OG1 3.37Å; H122-D190 PolarHBondContact N-OD1 2.66Å; H122-D190 PolarHBondContact N-OD2 3.05Å
123N95.2Very high95.4Very high1 Ų126.6 Ų26.61%0.00512%0.121CC..SBendtrans65.2-8.9178.4-49.9-65.3000116.1S121 T145 C147 L157 I160 R164 D190S121-N123 WeakPolarHBondContact CB-OD1 3.47Å; S121-N123 PolarHBondContact O-ND2 3.24Å; N123-T145 PolarHBondContact ND2-O 3.37Å; N123-C147 PolarHBondContact ND2-SG 3.47Å; N123-L157 HydrophobicContact CB-CD2 4.37Å; N123-I160 HydrophobicContact CB-CD1 3.74Å; N123-R164 PolarHBondContact O-NE 3.15Å; N123-R164 PolarHBondContact O-NH2 2.86Å; N123-D190 WeakPolarHBondContact CA-OD1 3.48Å; N123-D190 PolarHBondContact N-OD1 3.5Å
124N93.7Very high94.9Very high10 Ų1032 Ų325%0.05315%0.147CC..  trans-13842.7-179.3-164.620.6000113.9H122 C126 S129 T145 V163 R164 E165H122-N124 VanDerWaalsContact CE1-C 3.45Å; H122-N124 PolarHBondContact CE1-O 3.41Å; H122-N124 PolarHBondContact ND1-N 3.45Å; H122-N124 PolarHBondContact ND1-O 3.34Å; H122-N124 PolarHBondContact O-N 2.94Å; N124-C126 PolarHBondContact O-N 2.85Å; N124-C126 VanDerWaalsContact O-N 3.11Å; N124-C126 PolarHBondContact O-SG 3.31Å; N124-C126 VanDerWaalsContact O-SG 3.41Å; N124-S129 PolarHBondContact O-OG 3.17Å; N124-T145 HydrophobicContact CB-CG2 3.97Å; N124-T145 VanDerWaalsContact CB-OG1 3.3Å; N124-T145 WeakPolarHBondContact CB-OG1 3.05Å; N124-V163 PolarHBondContact ND2-O 3.39Å; N124-R164 HydrophobicContact CB-CG 4.16Å; N124-R164 WeakPolarHBondContact OD1-CA 3.45Å; N124-E165 PolarHBondContact OD1-N 2.87Å
125V96.3Very high94.4Very high1 Ų135.1 Ų35.11%0.00616%0.164CC..  trans-68.3111.4177.4-172.60000108.9L111 H122 T168 D190 F194 M197L111-V125 HydrophobicContact CD1-CG1 4.07Å; L111-V125 HydrophobicContact CD1-CG2 4.06Å; L111-V125 HydrophobicContact CD2-CG2 3.71Å; H122-V125 HydrophobicContact CB-CG2 4.01Å; H122-V125 WeakPolarHBondContact ND1-CG2 3.44Å; H122-V125 PolarHBondContact ND1-N 2.9Å; V125-T168 PolarHBondContact O-OG1 2.88Å; V125-D190 HydrophobicContact CG2-CB 4.19Å; V125-F194 HydrophobicContact CG1-CB 4.19Å; V125-M197 HydrophobicContact CG1-CE 4.07Å; V125-M197 HydrophobicContact CG1-SD 3.94Å
126C93.8Very high94.1Very high3 Ų335.8 Ų35.82%0.0217%0.172CC..SBendtrans-161.2167.4-179.163.80000110.8N124 S128 S129 E165 T168N124-C126 PolarHBondContact O-N 2.85Å; N124-C126 VanDerWaalsContact O-N 3.11Å; N124-C126 PolarHBondContact O-SG 3.31Å; N124-C126 VanDerWaalsContact O-SG 3.41Å; C126-S128 VanDerWaalsContact C-N 3.34Å; C126-S128 PolarHBondContact O-N 2.69Å; C126-S128 PolarHBondContact SG-OG 2.84Å; C126-S128 VanDerWaalsContact SG-OG 3.38Å; C126-S129 PolarHBondContact N-OG 2.98Å; C126-S129 WeakPolarHBondContact O-CB 3.24Å; C126-S129 PolarHBondContact O-N 3.42Å; C126-S129 PolarHBondContact O-OG 3.49Å; C126-E165 HydrophobicContact CB-CB 3.75Å; C126-E165 HydrophobicContact CB-CG 4.19Å; C126-T168 HydrophobicContact CB-CG2 4.2Å
127M92.5Very high93.9Very high27 Ų2732.8 Ų32.813%0.13316%0.158CC..G310 helixtrans-54.8-44.4-177.2-59.8-53.9-68.300113.3L88 E89 L92 S129 V130 M197 L201L88-M127 HydrophobicContact CD2-CE 3.43Å; L88-M127 VanDerWaalsContact CD2-CE 3.43Å; L88-M127 HydrophobicContact CD2-SD 4.46Å; L88-M127 HydrophobicContact CG-CE 3.9Å; E89-M127 HydrophobicContact CG-CB 3.73Å; E89-M127 VanDerWaalsContact OE1-CB 3.24Å; E89-M127 WeakPolarHBondContact OE1-CB 3.15Å; L92-M127 HydrophobicContact CD1-CE 3.83Å; L92-M127 HydrophobicContact CD2-CE 3.85Å; L92-M127 HydrophobicContact CG-CE 4.34Å; M127-S129 PolarHBondContact O-N 3.31Å; M127-S129 VanDerWaalsContact O-N 3.14Å; M127-V130 PolarHBondContact O-N 3.14Å; M127-M197 HydrophobicContact CG-CG 4.28Å; M127-M197 HydrophobicContact SD-CG 3.43Å; M127-M197 WeakPolarHBondContact SD-CG 3.41Å; M127-M197 HydrophobicContact SD-SD 4.17Å; M127-L201 HydrophobicContact CE-CD1 4.22Å; M127-L201 HydrophobicContact CE-CD2 3.72Å; M127-L201 HydrophobicContact CE-CG 4.17Å; M127-L201 HydrophobicContact SD-CD1 4.16Å; M127-L201 HydrophobicContact SD-CD2 4.37Å; M127-L201 HydrophobicContact SD-CG 4.19Å
128S91.3Very high94Very high28 Ų2823.1 Ų23.120%0.19612%0.122CC..G310 helixtrans-66.1-12.8177.675.30000115.2E89 C126E89-S128 PolarHBondContact OE1-N 3.31Å; C126-S128 VanDerWaalsContact C-N 3.34Å; C126-S128 PolarHBondContact O-N 2.69Å; C126-S128 PolarHBondContact SG-OG 2.84Å; C126-S128 VanDerWaalsContact SG-OG 3.38Å
129S93.9Very high94.2Very high4 Ų423.6 Ų23.63%0.02812%0.123CC..G310 helixtrans-89.2-1.8172.874.40000113.6N124 C126 M127 F131 G141N124-S129 PolarHBondContact O-OG 3.17Å; C126-S129 PolarHBondContact N-OG 2.98Å; C126-S129 WeakPolarHBondContact O-CB 3.24Å; C126-S129 PolarHBondContact O-N 3.42Å; C126-S129 PolarHBondContact O-OG 3.49Å; M127-S129 PolarHBondContact O-N 3.31Å; M127-S129 VanDerWaalsContact O-N 3.14Å; S129-F131 WeakPolarHBondContact O-CE2 3.22Å; S129-G141 PolarHBondContact O-N 2.84Å
130V96.7Very high94.3Very high0 Ų018 Ų180%010%0.098CC..EExtended strand (participates in β ladder)trans-112.7134.9-173.8-1750000111.3L88 L107 M127 W138 M197L88-V130 HydrophobicContact CB-CB 4.1Å; L88-V130 HydrophobicContact CB-CG1 4.07Å; L88-V130 WeakPolarHBondContact CB-O 3.47Å; L88-V130 HydrophobicContact CD2-CB 3.88Å; L88-V130 HydrophobicContact CD2-CG1 3.59Å; L88-V130 HydrophobicContact CG-CG1 4.42Å; L88-V130 PolarHBondContact N-O 3.27Å; L107-V130 HydrophobicContact CD1-CB 4.4Å; L107-V130 HydrophobicContact CD1-CG1 3.95Å; L107-V130 HydrophobicContact CD1-CG2 3.5Å; L107-V130 HydrophobicContact CD2-CG1 4.05Å; L107-V130 HydrophobicContact CD2-CG2 4.04Å; L107-V130 HydrophobicContact CG-CG1 4.36Å; L107-V130 HydrophobicContact CG-CG2 4.41Å; M127-V130 PolarHBondContact O-N 3.14Å; V130-W138 HydrophobicContact CG1-CB 4.12Å; V130-W138 HydrophobicContact CG1-CD2 4.11Å; V130-W138 HydrophobicContact CG1-CE3 3.95Å; V130-W138 HydrophobicContact CG1-CG 4.22Å; V130-M197 HydrophobicContact CG2-SD 4.22Å
131F96.3Very high94.2Very high6 Ų618 Ų183%0.02610%0.098CC..EExtended strand (participates in β ladder)trans-129.2154.5-179.4-52.7-83.5000110.1L20 M26 F40 L66 V85 Q86 P87 S129 W138 K139L20-F131 HydrophobicContact CD1-CE1 4.49Å; L20-F131 HydrophobicContact CD1-CZ 4.2Å; M26-F131 HydrophobicContact CE-CD1 3.43Å; M26-F131 VanDerWaalsContact CE-CD1 3.43Å; M26-F131 HydrophobicContact CE-CE1 3.54Å; M26-F131 HydrophobicContact CE-CG 4.4Å; F40-F131 AromaticContact CE1-CE1 3.8Å; F40-F131 HydrophobicContact CE1-CE1 3.8Å; F40-F131 HydrophobicContact CE1-CE2 4.39Å; F40-F131 AromaticContact CE1-CZ 3.7Å; F40-F131 HydrophobicContact CE1-CZ 3.7Å; F40-F131 HydrophobicContact CZ-CD1 4.31Å; F40-F131 AromaticContact CZ-CE1 3.96Å; F40-F131 HydrophobicContact CZ-CE1 3.96Å; F40-F131 HydrophobicContact CZ-CE2 4.31Å; F40-F131 AromaticContact CZ-CZ 3.98Å; F40-F131 HydrophobicContact CZ-CZ 3.98Å; L66-F131 HydrophobicContact CD2-CD2 4.21Å; V85-F131 HydrophobicContact CB-CB 3.84Å; V85-F131 HydrophobicContact CG1-CB 4.38Å; V85-F131 HydrophobicContact CG2-CB 3.75Å; V85-F131 HydrophobicContact CG2-CD1 4.37Å; V85-F131 HydrophobicContact CG2-CG 4.18Å; Q86-F131 CarbonylContact O-C 3.53Å; Q86-F131 WeakPolarHBondContact O-CA 3.24Å; Q86-F131 WeakPolarHBondContact O-CB 3.41Å; P87-F131 HydrophobicContact CB-CD1 4.41Å; P87-F131 HydrophobicContact CB-CE1 4.48Å; S129-F131 WeakPolarHBondContact O-CE2 3.22Å; F131-W138 CarbonylContact O-C 3.44Å; F131-W138 WeakPolarHBondContact O-CA 3.27Å; F131-K139 PolarHBondContact N-O 3.1Å; F131-K139 PolarHBondContact O-N 3.16Å
132V96.1Very high94.1Very high11 Ų1118.8 Ų18.87%0.06711%0.107CC..EExtended strand (participates in β ladder)trans-115.6128.2-179.9-170.80000108.9V85 Q86 L88 L91 H137 W138V85-V132 CarbonylContact C-O 3.52Å; V85-V132 WeakPolarHBondContact CA-O 3.44Å; V85-V132 WeakPolarHBondContact CB-O 3.28Å; Q86-V132 PolarHBondContact N-O 2.91Å; Q86-V132 PolarHBondContact O-N 2.87Å; L88-V132 HydrophobicContact CB-CG2 4.37Å; L88-V132 HydrophobicContact CD1-CG2 3.8Å; L91-V132 HydrophobicContact CD1-CB 3.74Å; L91-V132 HydrophobicContact CD1-CG1 4.33Å; L91-V132 HydrophobicContact CD1-CG2 3.74Å; V132-H137 WeakPolarHBondContact CA-O 3.41Å; V132-W138 HydrophobicContact CG2-CG 4.49Å
133S94.4Very high94Very high11 Ų1118.9 Ų18.98%0.07711%0.107CC..EExtended strand (participates in β ladder)trans-79.7164.9174.653.20000112.6D135 G136 H137 K139S133-D135 PolarHBondContact O-N 2.75Å; S133-D135 VanDerWaalsContact O-N 3.08Å; S133-D135 PolarHBondContact OG-OD1 3.28Å; S133-G136 WeakPolarHBondContact O-CA 3.48Å; S133-G136 PolarHBondContact O-N 3.25Å; S133-H137 PolarHBondContact N-O 3.36Å; S133-H137 PolarHBondContact OG-N 2.74Å; S133-H137 PolarHBondContact OG-O 3.47Å; S133-K139 WeakPolarHBondContact OG-CE 3.48Å
134E88.8Confident93.8Very high147 Ų14720.5 Ų20.569%0.68712%0.115SC*.THydrogen-bonded Turntrans-57.1-23.8178.7-59-177.2135.900114R84R84-E134 HydrophobicContact CB-CG 4.11Å; R84-E134 HydrophobicContact CG-CG 3.65Å; R84-E134 VanDerWaalsContact CG-OE1 3.29Å; R84-E134 WeakPolarHBondContact CG-OE1 3.32Å
135D86.4Confident93.9Very high64 Ų6420 Ų2034%0.34211%0.112SC..THydrogen-bonded Turntrans-95.516.2174.175.5-26.9000113.8S133 H137 R297 K301S133-D135 PolarHBondContact O-N 2.75Å; S133-D135 VanDerWaalsContact O-N 3.08Å; S133-D135 PolarHBondContact OG-OD1 3.28Å; D135-H137 PolarHBondContact O-N 2.95Å; D135-H137 IonicContact OD1-CD2 3.97Å; D135-H137 IonicContact OD2-CD2 2.69Å; D135-H137 PolarHBondContact OD2-CD2 2.91Å; D135-R297 WeakPolarHBondContact O-CD 3.5Å; D135-R297 PolarHBondContact O-NH1 3.42Å; D135-K301 IonicContact OD2-NZ 2.66Å; D135-K301 PolarHBondContact OD2-NZ 3.39Å
136G90Very high93.9Very high21 Ų2120 Ų2022%0.21611%0.112CC..SBendtrans76.48.2171.300000116.1S133 R297S133-G136 WeakPolarHBondContact O-CA 3.48Å; S133-G136 PolarHBondContact O-N 3.25Å; G136-R297 VanDerWaalsContact C-CZ 3.4Å; G136-R297 VanDerWaalsContact C-NH1 3.27Å; G136-R297 PolarHBondContact O-NH1 3.08Å; G136-R297 PolarHBondContact O-NH2 3.4Å
137H92.9Very high93.9Very high24 Ų2419.9 Ų19.911%0.11111%0.111CC..  trans-78.5138.8176.2-79.9-66.3000111.6D106 V132 S133 D135 R297D106-H137 VanDerWaalsContact CG-ND1 3.29Å; D106-H137 IonicContact OD1-CE1 2.7Å; D106-H137 IonicContact OD1-ND1 3.76Å; D106-H137 PolarHBondContact OD1-ND1 3.29Å; D106-H137 VanDerWaalsContact OD1-ND1 3.14Å; D106-H137 WeakPolarHBondContact OD2-CA 3.07Å; D106-H137 IonicContact OD2-CE1 3.72Å; D106-H137 IonicContact OD2-CG 1.81Å; D106-H137 IonicContact OD2-ND1 2.69Å; D106-H137 PolarHBondContact OD2-ND1 3.46Å; V132-H137 WeakPolarHBondContact CA-O 3.41Å; S133-H137 PolarHBondContact N-O 3.36Å; S133-H137 PolarHBondContact OG-N 2.74Å; S133-H137 PolarHBondContact OG-O 3.47Å; D135-H137 PolarHBondContact O-N 2.95Å; D135-H137 IonicContact OD1-CD2 3.97Å; D135-H137 IonicContact OD2-CD2 2.69Å; D135-H137 PolarHBondContact OD2-CD2 2.91Å; H137-R297 PolarHBondContact CD2-NH1 3.49Å; H137-R297 PolarHBondContact CE1-NH1 3.32Å; H137-R297 VanDerWaalsContact CE1-NH1 3.28Å; H137-R297 PolarHBondContact ND1-NH1 2.85Å; H137-R297 PolarHBondContact NE2-NH1 3.26Å
138W97.3Very high94.1Very high2 Ų223.3 Ų23.31%0.00813%0.125CC..EExtended strand (participates in β ladder)trans-81.8133.8173.7-71.820000110.4L88 L95 L100 G103 I104 D106 L107 V130 F131 V132 L201L88-W138 HydrophobicContact CD1-CD2 4.26Å; L88-W138 HydrophobicContact CD1-CH2 4.05Å; L88-W138 HydrophobicContact CD1-CZ2 3.44Å; L88-W138 VanDerWaalsContact CD1-CZ2 3.44Å; L88-W138 HydrophobicContact CD2-CD2 4Å; L88-W138 HydrophobicContact CD2-CE3 3.76Å; L88-W138 HydrophobicContact CD2-CH2 3.57Å; L88-W138 HydrophobicContact CD2-CZ2 3.8Å; L88-W138 HydrophobicContact CD2-CZ3 3.54Å; L88-W138 HydrophobicContact CG-CH2 4.45Å; L88-W138 HydrophobicContact CG-CZ2 4.28Å; L95-W138 HydrophobicContact CD1-CZ2 3.79Å; L100-W138 HydrophobicContact CD2-CH2 4.09Å; L100-W138 HydrophobicContact CD2-CZ2 4.01Å; G103-W138 VanDerWaalsContact C-CD2 3.46Å; G103-W138 VanDerWaalsContact O-CE3 3.25Å; I104-W138 HydrophobicContact CG1-CH2 4.32Å; I104-W138 HydrophobicContact CG1-CZ3 4.02Å; D106-W138 HydrophobicContact CB-CB 4.13Å; D106-W138 PolarHBondContact OD2-N 3.26Å; L107-W138 HydrophobicContact CD1-CE3 3.63Å; L107-W138 HydrophobicContact CD1-CZ3 4.14Å; L107-W138 HydrophobicContact CD2-CB 4.38Å; L107-W138 HydrophobicContact CG-CB 4.22Å; L107-W138 HydrophobicContact CG-CE3 3.98Å; V130-W138 HydrophobicContact CG1-CB 4.12Å; V130-W138 HydrophobicContact CG1-CD2 4.11Å; V130-W138 HydrophobicContact CG1-CE3 3.95Å; V130-W138 HydrophobicContact CG1-CG 4.22Å; F131-W138 CarbonylContact O-C 3.44Å; F131-W138 WeakPolarHBondContact O-CA 3.27Å; V132-W138 HydrophobicContact CG2-CG 4.49Å; W138-L201 HydrophobicContact CH2-CD1 4.04Å; W138-L201 HydrophobicContact CZ3-CD1 4.17Å
139K98Very high94.3Very high16 Ų1622.7 Ų22.77%0.0712%0.119CC..EExtended strand (participates in β ladder)trans-120.6121.5-174.7-53.6-51.2-172.3103.90109.4P63 C64 L66 E83 V85 F131 S133P63-K139 WeakPolarHBondContact O-CD 3.32Å; P63-K139 VanDerWaalsContact O-CE 3.23Å; P63-K139 WeakPolarHBondContact O-CE 3.28Å; P63-K139 PolarHBondContact O-NZ 3.48Å; C64-K139 WeakPolarHBondContact O-CA 3.32Å; L66-K139 HydrophobicContact CB-CB 4.32Å; L66-K139 HydrophobicContact CD1-CB 4.38Å; E83-K139 IonicContact OE1-NZ 3.71Å; E83-K139 PolarHBondContact OE1-NZ 2.97Å; E83-K139 IonicContact OE2-NZ 2.88Å; V85-K139 HydrophobicContact CG1-CG 4.24Å; F131-K139 PolarHBondContact N-O 3.1Å; F131-K139 PolarHBondContact O-N 3.16Å; S133-K139 WeakPolarHBondContact OG-CE 3.48Å
140L98Very high94.2Very high0 Ų025.7 Ų25.70%014%0.144CC..EExtended strand (participates in β ladder)trans-74.6126.5169.3-170.966.3000109.6C64 L65 L66 L107 A110 L111 M143C64-L140 PolarHBondContact O-N 3.25Å; L65-L140 HydrophobicContact CD2-CB 4Å; L65-L140 HydrophobicContact CD2-CD2 4.19Å; L66-L140 WeakPolarHBondContact CB-O 3.48Å; L66-L140 PolarHBondContact N-O 3.49Å; L107-L140 HydrophobicContact CD2-CB 4.08Å; L107-L140 HydrophobicContact CD2-CD1 4.42Å; A110-L140 HydrophobicContact CB-CB 4.23Å; A110-L140 HydrophobicContact CB-CD2 4.49Å; L111-L140 HydrophobicContact CD2-CD2 3.67Å; L111-L140 HydrophobicContact CG-CD2 4.37Å; L140-M143 HydrophobicContact CB-CE 4.36Å; L140-M143 HydrophobicContact CG-CE 4.23Å; L140-M143 WeakPolarHBondContact O-CE 3.36Å
141G95.3Very high94.1Very high2 Ų230.8 Ų30.82%0.02117%0.168CC..  trans-103.7-133.6171.600000111.5H122 S129 M143H122-G141 PolarHBondContact NE2-O 3.48Å; H122-G141 VanDerWaalsContact NE2-O 3.1Å; S129-G141 PolarHBondContact O-N 2.84Å; G141-M143 VanDerWaalsContact C-N 3.26Å; G141-M143 WeakPolarHBondContact O-CE 3.49Å; G141-M143 PolarHBondContact O-N 3.07Å; G141-M143 VanDerWaalsContact O-N 3.1Å
142G92.2Very high93.9Very high17 Ų1730.5 Ų30.518%0.17517%0.167CC..  trans64.116.8168.200000117.3E144 T145G142-E144 WeakPolarHBondContact CA-OE2 3.23Å; G142-E144 PolarHBondContact O-N 3.16Å; G142-T145 PolarHBondContact O-N 3.03Å; G142-T145 VanDerWaalsContact O-N 3.08Å; G142-T145 PolarHBondContact O-OG1 3.15Å; G142-T145 VanDerWaalsContact O-OG1 3.1Å
143M94.4Very high93.8Very high2 Ų231.7 Ų31.71%0.0117%0.174CC..THydrogen-bonded Turntrans-67.5-2.4-166-57.1-60166.600115.8A53 H56 L57 L65 L140 G141 T145 V146A53-M143 HydrophobicContact CB-CB 4.18Å; H56-M143 HydrophobicContact CB-CB 3.86Å; H56-M143 HydrophobicContact CB-CG 4.43Å; H56-M143 PolarHBondContact ND1-O 3.37Å; L57-M143 HydrophobicContact CD2-CB 4.33Å; L57-M143 HydrophobicContact CD2-CE 4.27Å; L57-M143 HydrophobicContact CD2-CG 3.41Å; L57-M143 VanDerWaalsContact CD2-CG 3.41Å; L57-M143 HydrophobicContact CG-CB 4.1Å; L57-M143 HydrophobicContact CG-CG 3.69Å; L65-M143 HydrophobicContact CB-CE 4.31Å; L65-M143 HydrophobicContact CD2-CE 3.76Å; L65-M143 HydrophobicContact CG-CE 4.44Å; L140-M143 HydrophobicContact CB-CE 4.36Å; L140-M143 HydrophobicContact CG-CE 4.23Å; L140-M143 WeakPolarHBondContact O-CE 3.36Å; G141-M143 VanDerWaalsContact C-N 3.26Å; G141-M143 WeakPolarHBondContact O-CE 3.49Å; G141-M143 PolarHBondContact O-N 3.07Å; G141-M143 VanDerWaalsContact O-N 3.1Å; M143-T145 VanDerWaalsContact C-N 3.34Å; M143-V146 HydrophobicContact CB-CG2 4.37Å; M143-V146 HydrophobicContact SD-CG2 3.63Å
144E92.3Very high93.7Very high34 Ų3433.1 Ų33.116%0.15918%0.183CC..THydrogen-bonded Turntrans-67.7-30.1168.366.1-85.9-154.200112.9K49 K52 A53 G142K49-E144 HydrophobicContact CB-CB 4.01Å; K52-E144 WeakPolarHBondContact CD-O 3.4Å; K52-E144 WeakPolarHBondContact CE-O 3.4Å; K52-E144 PolarHBondContact NZ-O 3.1Å; A53-E144 HydrophobicContact CB-CB 4.25Å; G142-E144 WeakPolarHBondContact CA-OE2 3.23Å; G142-E144 PolarHBondContact O-N 3.16Å
145T94.4Very high93.9Very high0 Ų032 Ų320%018%0.178CC..SBendtrans-86.2-11.6177.958.40000113.5H122 N123 N124 G142 M143 F156 I160 V163H122-T145 CarbonylContact O-C 3.44Å; H122-T145 VanDerWaalsContact O-C 3.3Å; H122-T145 WeakPolarHBondContact O-CB 3.33Å; H122-T145 PolarHBondContact O-OG1 3.37Å; N123-T145 PolarHBondContact ND2-O 3.37Å; N124-T145 HydrophobicContact CB-CG2 3.97Å; N124-T145 VanDerWaalsContact CB-OG1 3.3Å; N124-T145 WeakPolarHBondContact CB-OG1 3.05Å; G142-T145 PolarHBondContact O-N 3.03Å; G142-T145 VanDerWaalsContact O-N 3.08Å; G142-T145 PolarHBondContact O-OG1 3.15Å; G142-T145 VanDerWaalsContact O-OG1 3.1Å; M143-T145 VanDerWaalsContact C-N 3.34Å; T145-F156 WeakPolarHBondContact O-CZ 3.41Å; T145-I160 HydrophobicContact CG2-CB 4.06Å; T145-I160 HydrophobicContact CG2-CD1 4.05Å; T145-I160 HydrophobicContact CG2-CG2 4.16Å; T145-V163 HydrophobicContact CG2-CG2 3.65Å
146V96.3Very high94.2Very high0 Ų030.8 Ų30.80%017%0.17CC..  trans-62.3140.6176.4172.80000111.4K52 H56 L60 L114 S121 M143K52-V146 WeakPolarHBondContact CE-O 3.39Å; K52-V146 PolarHBondContact NZ-O 2.83Å; H56-V146 PolarHBondContact CE1-O 2.95Å; H56-V146 VanDerWaalsContact CE1-O 3.29Å; L60-V146 HydrophobicContact CD1-CG1 4.44Å; L114-V146 HydrophobicContact CD1-CG1 4.31Å; L114-V146 HydrophobicContact CD2-CG2 4.48Å; S121-V146 VanDerWaalsContact O-CA 3.26Å; S121-V146 WeakPolarHBondContact O-CA 3.34Å; M143-V146 HydrophobicContact CB-CG2 4.37Å; M143-V146 HydrophobicContact SD-CG2 3.63Å
147C95.4Very high94.3Very high2 Ų230.2 Ų30.21%0.01416%0.162CC..EExtended strand (participates in β ladder)trans-153.2165.9170.266.90000109.9S120 S121 N123 E151 A152 F156S120-C147 CarbonylContact C-O 3.58Å; S120-C147 WeakPolarHBondContact CA-O 3.43Å; S120-C147 WeakPolarHBondContact CB-O 3.3Å; S120-C147 PolarHBondContact OG-O 2.73Å; S121-C147 PolarHBondContact N-O 2.6Å; S121-C147 PolarHBondContact O-N 2.88Å; S121-C147 VanDerWaalsContact O-N 3.15Å; N123-C147 PolarHBondContact ND2-SG 3.47Å; C147-E151 HydrophobicContact CB-CB 3.95Å; C147-E151 WeakPolarHBondContact CB-OE2 3.45Å; C147-A152 WeakPolarHBondContact SG-CB 3.33Å; C147-F156 HydrophobicContact CB-CD1 4.45Å; C147-F156 HydrophobicContact CB-CE1 3.91Å; C147-F156 HydrophobicContact CB-CZ 4.05Å; C147-F156 WeakPolarHBondContact SG-CE1 3.46Å
148K95.8Very high94.2Very high98 Ų9832.2 Ų32.243%0.42618%0.179SC..EExtended strand (participates in β ladder)trans-63.5157168.4-66.4-72.5175.1178.80110.7G118 A150 E151 A152G118-K148 PolarHBondContact O-NZ 2.91Å; K148-A150 PolarHBondContact O-N 3.24Å; K148-E151 HydrophobicContact CB-CB 4.3Å; K148-E151 HydrophobicContact CB-CG 3.89Å; K148-E151 PolarHBondContact N-OE2 3.46Å; K148-E151 WeakPolarHBondContact O-CB 3.23Å; K148-E151 PolarHBondContact O-N 2.83Å; K148-E151 VanDerWaalsContact O-N 3.11Å; K148-A152 PolarHBondContact O-N 3.23Å
149F95.4Very high93.9Very high15 Ų1536.8 Ų36.87%0.06621%0.207CC..THydrogen-bonded Turntrans-54.6-47.4178.9-69.4-26.4000113H115 K119 S120 S121 E151 A152 A186 H187H115-F149 HydrophobicContact CB-CZ 4.2Å; K119-F149 HydrophobicContact CB-CD2 4.25Å; K119-F149 HydrophobicContact CB-CE2 4.35Å; K119-F149 HydrophobicContact CD-CE2 4.38Å; K119-F149 WeakPolarHBondContact O-CG 3.31Å; K119-F149 PolarHBondContact O-N 2.86Å; K119-F149 VanDerWaalsContact O-N 3.08Å; S120-F149 VanDerWaalsContact O-CE1 3.23Å; S120-F149 WeakPolarHBondContact O-CE1 3.42Å; S121-F149 WeakPolarHBondContact OG-CD1 3.48Å; F149-E151 VanDerWaalsContact C-N 3.34Å; F149-E151 PolarHBondContact O-N 3Å; F149-A152 VanDerWaalsContact O-CB 3.31Å; F149-A152 WeakPolarHBondContact O-CB 3.48Å; F149-A152 PolarHBondContact O-N 2.89Å; F149-A186 HydrophobicContact CB-CB 3.51Å; F149-A186 HydrophobicContact CD1-CB 3.48Å; F149-A186 VanDerWaalsContact CD1-CB 3.48Å; F149-A186 HydrophobicContact CD2-CB 4.01Å; F149-A186 HydrophobicContact CE1-CB 4.1Å; F149-A186 HydrophobicContact CG-CB 3.41Å; F149-A186 VanDerWaalsContact CG-CB 3.41Å; F149-H187 HydrophobicContact CZ-CB 4.32Å
150A92.8Very high93.5Very high67 Ų6736.7 Ų36.755%0.55421%0.207SC*.THydrogen-bonded Turntrans-68.4-25.2177.200000114.7K148 A152K148-A150 PolarHBondContact O-N 3.24Å; A150-A152 VanDerWaalsContact C-N 3.25Å; A150-A152 PolarHBondContact O-N 2.85Å
151E93.5Very high93Very high107 Ų10742.8 Ų42.850%0.524%0.235SC..THydrogen-bonded Turntrans-76.1-13.2176.8-67.8167.7-179.800112.6C147 K148 F149 T153C147-E151 HydrophobicContact CB-CB 3.95Å; C147-E151 WeakPolarHBondContact CB-OE2 3.45Å; K148-E151 HydrophobicContact CB-CB 4.3Å; K148-E151 HydrophobicContact CB-CG 3.89Å; K148-E151 PolarHBondContact N-OE2 3.46Å; K148-E151 WeakPolarHBondContact O-CB 3.23Å; K148-E151 PolarHBondContact O-N 2.83Å; K148-E151 VanDerWaalsContact O-N 3.11Å; F149-E151 VanDerWaalsContact C-N 3.34Å; F149-E151 PolarHBondContact O-N 3Å; E151-T153 PolarHBondContact O-N 2.95Å
152A93Very high92.5Very high0 Ų050 Ų500%027%0.273CS..  trans-84.753.1-168.200000113.2C147 K148 F149 A150 R189C147-A152 WeakPolarHBondContact SG-CB 3.33Å; K148-A152 PolarHBondContact O-N 3.23Å; F149-A152 VanDerWaalsContact O-CB 3.31Å; F149-A152 WeakPolarHBondContact O-CB 3.48Å; F149-A152 PolarHBondContact O-N 2.89Å; A150-A152 VanDerWaalsContact C-N 3.25Å; A150-A152 PolarHBondContact O-N 2.85Å; A152-R189 VanDerWaalsContact CB-CZ 3.48Å; A152-R189 VanDerWaalsContact CB-NH1 3.29Å; A152-R189 PolarHBondContact O-NH1 2.85Å
153T93.7Very high92.1Very high37 Ų3750.8 Ų50.823%0.22728%0.275CS..  trans-77.8164.5-175.180.70000112.7E151 E155 F156 L157E151-T153 PolarHBondContact O-N 2.95Å; T153-E155 WeakPolarHBondContact CB-OE2 3.45Å; T153-E155 PolarHBondContact O-N 2.83Å; T153-E155 PolarHBondContact OG1-N 2.84Å; T153-E155 PolarHBondContact OG1-OE2 3.02Å; T153-F156 PolarHBondContact O-N 3.17Å; T153-F156 PolarHBondContact OG1-N 2.75Å; T153-L157 VanDerWaalsContact O-CG 3.3Å; T153-L157 WeakPolarHBondContact O-CG 3.35Å; T153-L157 PolarHBondContact O-N 3.47Å
154P92.4Very high91.7Very high40 Ų4051.6 Ų51.626%0.2628%0.278SS..Hα-helixtrans-55.7-37.2174.8-24.134.8000113.1L157 S158 F178P154-L157 PolarHBondContact O-N 2.94Å; P154-S158 PolarHBondContact O-N 2.8Å; P154-F178 HydrophobicContact CB-CD1 4.33Å; P154-F178 HydrophobicContact CG-CD1 3.96Å; P154-F178 HydrophobicContact CG-CE1 4.36Å; P154-F178 WeakPolarHBondContact CG-O 3.37Å
155E92.5Very high91.3Very high125 Ų12553.7 Ų53.758%0.58429%0.288SS*.Hα-helixtrans-64-49.9176.8-55.371.6-154.300110.2T153 L157 S158 T159T153-E155 WeakPolarHBondContact CB-OE2 3.45Å; T153-E155 PolarHBondContact O-N 2.83Å; T153-E155 PolarHBondContact OG1-N 2.84Å; T153-E155 PolarHBondContact OG1-OE2 3.02Å; E155-L157 PolarHBondContact O-N 2.91Å; E155-S158 PolarHBondContact O-N 2.98Å; E155-S158 PolarHBondContact O-OG 3.46Å; E155-T159 PolarHBondContact O-N 2.98Å
156F93Very high91Very high37 Ų3758.5 Ų58.516%0.16232%0.317CS..Hα-helixtrans-57.9-47.8175.7171-106000111.8T145 C147 T153 S158 T159 I160T145-F156 WeakPolarHBondContact O-CZ 3.41Å; C147-F156 HydrophobicContact CB-CD1 4.45Å; C147-F156 HydrophobicContact CB-CE1 3.91Å; C147-F156 HydrophobicContact CB-CZ 4.05Å; C147-F156 WeakPolarHBondContact SG-CE1 3.46Å; T153-F156 PolarHBondContact O-N 3.17Å; T153-F156 PolarHBondContact OG1-N 2.75Å; F156-S158 PolarHBondContact O-N 3.01Å; F156-T159 PolarHBondContact O-N 3.38Å; F156-T159 PolarHBondContact O-OG1 2.9Å; F156-I160 HydrophobicContact CE1-CD1 3.74Å; F156-I160 HydrophobicContact CE1-CG1 4.39Å; F156-I160 HydrophobicContact CE2-CG2 4Å; F156-I160 HydrophobicContact CZ-CD1 3.9Å; F156-I160 HydrophobicContact CZ-CG1 4.4Å; F156-I160 HydrophobicContact CZ-CG2 3.94Å; F156-I160 PolarHBondContact O-N 2.95Å
157L92.5Very high90.5Very high9 Ų961.4 Ų61.45%0.04734%0.337CS..Hα-helixtrans-60.4-33.8180-67.7166.6000112.2N123 T153 P154 E155 I160 Q161 E173 F178N123-L157 HydrophobicContact CB-CD2 4.37Å; T153-L157 VanDerWaalsContact O-CG 3.3Å; T153-L157 WeakPolarHBondContact O-CG 3.35Å; T153-L157 PolarHBondContact O-N 3.47Å; P154-L157 PolarHBondContact O-N 2.94Å; E155-L157 PolarHBondContact O-N 2.91Å; L157-I160 HydrophobicContact CD2-CD1 4.33Å; L157-I160 WeakPolarHBondContact O-CG1 3.49Å; L157-I160 PolarHBondContact O-N 3.12Å; L157-Q161 PolarHBondContact O-N 3.06Å; L157-E173 HydrophobicContact CD1-CG 4.5Å; L157-F178 HydrophobicContact CD1-CE1 3.73Å; L157-F178 HydrophobicContact CD1-CZ 4.41Å
158S90.6Very high90.2Very high67 Ų6761.7 Ų61.747%0.46934%0.339SS..Hα-helixtrans-65.3-38.8173.280.30000112.7P154 E155 F156 I160 Q161P154-S158 PolarHBondContact O-N 2.8Å; E155-S158 PolarHBondContact O-N 2.98Å; E155-S158 PolarHBondContact O-OG 3.46Å; F156-S158 PolarHBondContact O-N 3.01Å; S158-I160 PolarHBondContact O-N 3.31Å; S158-Q161 WeakPolarHBondContact O-CB 3.33Å; S158-Q161 PolarHBondContact O-N 3.01Å
159T90.4Very high90.1Very high97 Ų9758 Ų5860%0.59533%0.325SS*.Hα-helixtrans-64.8-27.8179.269.50000113.3E155 F156E155-T159 PolarHBondContact O-N 2.98Å; F156-T159 PolarHBondContact O-N 3.38Å; F156-T159 PolarHBondContact O-OG1 2.9Å
160I90.5Very high90Very high14 Ų1457.3 Ų57.37%0.07232%0.322CS..THydrogen-bonded Turntrans-99.10.2178.761.5164.4000113.7N123 T145 F156 L157 S158 N162 V163 R164N123-I160 HydrophobicContact CB-CD1 3.74Å; T145-I160 HydrophobicContact CG2-CB 4.06Å; T145-I160 HydrophobicContact CG2-CD1 4.05Å; T145-I160 HydrophobicContact CG2-CG2 4.16Å; F156-I160 HydrophobicContact CE1-CD1 3.74Å; F156-I160 HydrophobicContact CE1-CG1 4.39Å; F156-I160 HydrophobicContact CE2-CG2 4Å; F156-I160 HydrophobicContact CZ-CD1 3.9Å; F156-I160 HydrophobicContact CZ-CG1 4.4Å; F156-I160 HydrophobicContact CZ-CG2 3.94Å; F156-I160 PolarHBondContact O-N 2.95Å; L157-I160 HydrophobicContact CD2-CD1 4.33Å; L157-I160 WeakPolarHBondContact O-CG1 3.49Å; L157-I160 PolarHBondContact O-N 3.12Å; S158-I160 PolarHBondContact O-N 3.31Å; I160-N162 PolarHBondContact O-N 2.84Å; I160-V163 HydrophobicContact CB-CG2 4.13Å; I160-V163 WeakPolarHBondContact O-CG2 3.44Å; I160-V163 PolarHBondContact O-N 3.08Å; I160-R164 WeakPolarHBondContact O-CG 3.49Å; I160-R164 PolarHBondContact O-N 3.36Å
161Q87.4Confident90Very high129 Ų12956 Ų5660%0.60331%0.308SS*.G310 helixtrans-55.7-39.5-178.3-171.3176.313.200112.5L157 S158 V163 R164L157-Q161 PolarHBondContact O-N 3.06Å; S158-Q161 WeakPolarHBondContact O-CB 3.33Å; S158-Q161 PolarHBondContact O-N 3.01Å; Q161-V163 PolarHBondContact O-N 2.78Å; Q161-R164 PolarHBondContact O-N 2.81Å
162N84.4Confident89.9Confident152 Ų15251.9 Ų51.981%0.81329%0.288SS*.G310 helixtrans-70.4-6.8-179.2-65.4-36.7000115.1I160I160-N162 PolarHBondContact O-N 2.84Å
163V82.5Confident89.8Confident35 Ų3553.4 Ų53.421%0.21230%0.296CS..G310 helixtrans-115.11.6174.2-61.10000112.9N124 T145 I160 Q161N124-V163 PolarHBondContact ND2-O 3.39Å; T145-V163 HydrophobicContact CG2-CG2 3.65Å; I160-V163 HydrophobicContact CB-CG2 4.13Å; I160-V163 WeakPolarHBondContact O-CG2 3.44Å; I160-V163 PolarHBondContact O-N 3.08Å; Q161-V163 PolarHBondContact O-N 2.78Å
164R87.4Confident89.5Confident19 Ų1958.5 Ų58.57%0.07231%0.311CS..SBendtrans-95.5138.6-178-72.6170.480.2-161.88.9112.1N123 N124 I160 Q161 T166 V169 E173N123-R164 PolarHBondContact O-NE 3.15Å; N123-R164 PolarHBondContact O-NH2 2.86Å; N124-R164 HydrophobicContact CB-CG 4.16Å; N124-R164 WeakPolarHBondContact OD1-CA 3.45Å; I160-R164 WeakPolarHBondContact O-CG 3.49Å; I160-R164 PolarHBondContact O-N 3.36Å; Q161-R164 PolarHBondContact O-N 2.81Å; R164-T166 PolarHBondContact O-N 3.45Å; R164-V169 HydrophobicContact CB-CG2 4.19Å; R164-E173 IonicContact CZ-OE1 3.73Å; R164-E173 IonicContact CZ-OE2 3.41Å; R164-E173 VanDerWaalsContact CZ-OE2 3.29Å; R164-E173 IonicContact NH1-OE1 3.03Å; R164-E173 IonicContact NH1-OE2 3.71Å; R164-E173 PolarHBondContact NH1-OE2 3.41Å; R164-E173 VanDerWaalsContact NH2-CD 3.32Å; R164-E173 IonicContact NH2-OE1 3.69Å; R164-E173 PolarHBondContact NH2-OE1 3.31Å; R164-E173 IonicContact NH2-OE2 3.81Å; R164-E173 PolarHBondContact NH2-OE2 3.23Å
165E84.1Confident89.3Confident78 Ų7861 Ų6136%0.36433%0.325SS..  trans-68.8118.4174.1174.638.6-12200110.4N124 C126 S167 T168 V169N124-E165 PolarHBondContact OD1-N 2.87Å; C126-E165 HydrophobicContact CB-CB 3.75Å; C126-E165 HydrophobicContact CB-CG 4.19Å; E165-S167 VanDerWaalsContact CD-OG 3.31Å; E165-S167 VanDerWaalsContact CG-OG 3.31Å; E165-S167 WeakPolarHBondContact CG-OG 3.46Å; E165-S167 PolarHBondContact O-N 3.03Å; E165-S167 VanDerWaalsContact OE1-CB 3.31Å; E165-S167 WeakPolarHBondContact OE1-CB 3.42Å; E165-S167 PolarHBondContact OE1-N 3.44Å; E165-S167 PolarHBondContact OE1-OG 3.04Å; E165-T168 HydrophobicContact CG-CG2 4.22Å; E165-T168 PolarHBondContact O-N 3.48Å; E165-T168 PolarHBondContact O-OG1 2.87Å; E165-V169 PolarHBondContact O-N 2.88Å
166T87.1Confident89Confident100 Ų10064.4 Ų64.461%0.61334%0.341SS*.THydrogen-bonded Turntrans-67.2-22.6-170.4-65.10000113.1R164 R174R164-T166 PolarHBondContact O-N 3.45Å; T166-R174 PolarHBondContact O-NH2 2.66Å
167S86.5Confident88.4Confident62 Ų6266 Ų6643%0.43437%0.367SS..THydrogen-bonded Turntrans-74.8-24.5172.658.90000114E165E165-S167 VanDerWaalsContact CD-OG 3.31Å; E165-S167 VanDerWaalsContact CG-OG 3.31Å; E165-S167 WeakPolarHBondContact CG-OG 3.46Å; E165-S167 PolarHBondContact O-N 3.03Å; E165-S167 VanDerWaalsContact OE1-CB 3.31Å; E165-S167 WeakPolarHBondContact OE1-CB 3.42Å; E165-S167 PolarHBondContact OE1-N 3.44Å; E165-S167 PolarHBondContact OE1-OG 3.04Å
168T89.2Confident88.2Confident7 Ų767.3 Ų67.34%0.04337%0.373CS..THydrogen-bonded Turntrans-97.1-13.9-18065.10000114.4V125 C126 E165 P170 F192 S193 M196V125-T168 PolarHBondContact O-OG1 2.88Å; C126-T168 HydrophobicContact CB-CG2 4.2Å; E165-T168 HydrophobicContact CG-CG2 4.22Å; E165-T168 PolarHBondContact O-N 3.48Å; E165-T168 PolarHBondContact O-OG1 2.87Å; T168-P170 WeakPolarHBondContact O-CD 3.18Å; T168-F192 WeakPolarHBondContact O-CD1 3.38Å; T168-S193 PolarHBondContact O-OG 2.97Å; T168-M196 HydrophobicContact CG2-CB 4.12Å
169V92.2Very high88.1Confident22 Ų2272.1 Ų72.113%0.13339%0.385CS..SBendtrans-57.1121.4175.8177.10000111.1R164 E165 E173 R174R164-V169 HydrophobicContact CB-CG2 4.19Å; E165-V169 PolarHBondContact O-N 2.88Å; V169-E173 HydrophobicContact CG1-CB 4.22Å; V169-R174 PolarHBondContact O-NE 2.7Å; V169-R174 PolarHBondContact O-NH2 3.19Å
170P93.3Very high88.1Confident0 Ų070 Ų700%037%0.373CS..  trans-56.5150.7-179.2-25.433.1000114.7T168 E172 E173 R189 F192T168-P170 WeakPolarHBondContact O-CD 3.18Å; P170-E172 VanDerWaalsContact C-N 3.35Å; P170-E172 HydrophobicContact CB-CG 4.44Å; P170-E172 VanDerWaalsContact CB-OE1 3.23Å; P170-E172 WeakPolarHBondContact CB-OE1 3.44Å; P170-E172 VanDerWaalsContact CB-OE2 3.25Å; P170-E172 WeakPolarHBondContact CB-OE2 3.18Å; P170-E172 PolarHBondContact O-N 3.14Å; P170-E173 HydrophobicContact CB-CG 4.47Å; P170-E173 WeakPolarHBondContact CD-OE1 3.21Å; P170-E173 PolarHBondContact O-N 3.33Å; P170-R189 HydrophobicContact CG-CB 3.91Å; P170-R189 HydrophobicContact CG-CG 4.12Å; P170-F192 HydrophobicContact CB-CB 4.36Å; P170-F192 HydrophobicContact CB-CD1 4.02Å; P170-F192 HydrophobicContact CB-CG 4.21Å; P170-F192 HydrophobicContact CG-CB 4.2Å; P170-F192 HydrophobicContact CG-CD1 4.05Å; P170-F192 HydrophobicContact CG-CG 4.37Å
171P92.9Very high88.2Confident40 Ų4070.1 Ų70.126%0.2637%0.373SS..G310 helixtrans-66.1-33.3-17726.2-34.9000113.3E173 R174 F192P171-E173 VanDerWaalsContact C-N 3.29Å; P171-E173 PolarHBondContact O-N 2.97Å; P171-R174 WeakPolarHBondContact O-CB 3.47Å; P171-R174 PolarHBondContact O-N 2.91Å; P171-R174 VanDerWaalsContact O-N 3.09Å; P171-F192 HydrophobicContact CG-CE2 4.23Å; P171-F192 HydrophobicContact CG-CZ 4.5Å
172E92.1Very high88.4Confident19 Ų1967.8 Ų67.89%0.08937%0.369CS..G310 helixtrans-64.2-31.4-179.765.7-84.3-16300113.2P170 R174 V175 F178 P238 R241P170-E172 VanDerWaalsContact C-N 3.35Å; P170-E172 HydrophobicContact CB-CG 4.44Å; P170-E172 VanDerWaalsContact CB-OE1 3.23Å; P170-E172 WeakPolarHBondContact CB-OE1 3.44Å; P170-E172 VanDerWaalsContact CB-OE2 3.25Å; P170-E172 WeakPolarHBondContact CB-OE2 3.18Å; P170-E172 PolarHBondContact O-N 3.14Å; E172-R174 PolarHBondContact O-N 3.24Å; E172-V175 PolarHBondContact O-N 2.86Å; E172-F178 HydrophobicContact CB-CD2 4.26Å; E172-F178 HydrophobicContact CB-CE2 4.26Å; E172-F178 HydrophobicContact CG-CD2 4.2Å; E172-F178 HydrophobicContact CG-CE2 3.71Å; E172-F178 VanDerWaalsContact O-CD2 3.22Å; E172-F178 WeakPolarHBondContact O-CD2 3.5Å; E172-P238 HydrophobicContact CB-CG 4.25Å; E172-P238 HydrophobicContact CG-CB 4.3Å; E172-P238 HydrophobicContact CG-CG 3.96Å; E172-R241 IonicContact OE1-CZ 3.6Å; E172-R241 IonicContact OE1-NH1 3.58Å; E172-R241 PolarHBondContact OE1-NH1 3.3Å; E172-R241 IonicContact OE1-NH2 3.62Å; E172-R241 IonicContact OE2-CZ 2.73Å; E172-R241 IonicContact OE2-NH1 3.53Å; E172-R241 PolarHBondContact OE2-NH1 3.21Å; E172-R241 IonicContact OE2-NH2 2.64Å; E172-R241 PolarHBondContact OE2-NH2 2.93Å
173E91.2Very high88.7Confident33 Ų3365.1 Ų65.115%0.15436%0.355CS..G310 helixtrans-71.4-13.5176.8-62.6-172.8-14000112.6L157 R164 V169 P170 P171 F178 R189L157-E173 HydrophobicContact CD1-CG 4.5Å; R164-E173 IonicContact CZ-OE1 3.73Å; R164-E173 IonicContact CZ-OE2 3.41Å; R164-E173 VanDerWaalsContact CZ-OE2 3.29Å; R164-E173 IonicContact NH1-OE1 3.03Å; R164-E173 IonicContact NH1-OE2 3.71Å; R164-E173 PolarHBondContact NH1-OE2 3.41Å; R164-E173 VanDerWaalsContact NH2-CD 3.32Å; R164-E173 IonicContact NH2-OE1 3.69Å; R164-E173 PolarHBondContact NH2-OE1 3.31Å; R164-E173 IonicContact NH2-OE2 3.81Å; R164-E173 PolarHBondContact NH2-OE2 3.23Å; V169-E173 HydrophobicContact CG1-CB 4.22Å; P170-E173 HydrophobicContact CB-CG 4.47Å; P170-E173 WeakPolarHBondContact CD-OE1 3.21Å; P170-E173 PolarHBondContact O-N 3.33Å; P171-E173 VanDerWaalsContact C-N 3.29Å; P171-E173 PolarHBondContact O-N 2.97Å; E173-F178 HydrophobicContact CG-CE1 4.21Å; E173-F178 HydrophobicContact CG-CE2 4.28Å; E173-F178 HydrophobicContact CG-CZ 4.03Å; E173-R189 VanDerWaalsContact OE1-CD 3.25Å; E173-R189 WeakPolarHBondContact OE1-CD 3.34Å; E173-R189 WeakPolarHBondContact OE1-CG 3.47Å
174R87.9Confident89.1Confident144 Ų14471.3 Ų71.354%0.54338%0.379SS..G310 helixtrans-92.4-0.3-179.3-49.4177.1-171-132.41112.7T166 V169 P171 E172T166-R174 PolarHBondContact O-NH2 2.66Å; V169-R174 PolarHBondContact O-NE 2.7Å; V169-R174 PolarHBondContact O-NH2 3.19Å; P171-R174 WeakPolarHBondContact O-CB 3.47Å; P171-R174 PolarHBondContact O-N 2.91Å; P171-R174 VanDerWaalsContact O-N 3.09Å; E172-R174 PolarHBondContact O-N 3.24Å
175V88.1Confident89.4Confident93 Ų9372 Ų7256%0.56438%0.383SS*.SBendtrans-97.2134.7-177.3-174.70000110.3E172 G177 F178E172-V175 PolarHBondContact O-N 2.86Å; V175-G177 PolarHBondContact O-N 3.47Å; V175-F178 PolarHBondContact O-N 3.04Å
176E84.9Confident89.8Confident195 Ų19568.3 Ų68.391%0.91137%0.366SS*.THydrogen-bonded Turntrans-58.3132.1174.7-65.9-171.7162.500111.2
177G82.1Confident90.2Very high70 Ų7064.6 Ų64.672%0.72234%0.341SS*.THydrogen-bonded Turntrans79.317-178.100000115.3V175V175-G177 PolarHBondContact O-N 3.47Å
178F87Confident90.7Very high38 Ų3861.7 Ų61.717%0.16732%0.321CS..  trans-48.5144165.9175.2-101.6000111.9P154 L157 E172 E173 V175 L181P154-F178 HydrophobicContact CB-CD1 4.33Å; P154-F178 HydrophobicContact CG-CD1 3.96Å; P154-F178 HydrophobicContact CG-CE1 4.36Å; P154-F178 WeakPolarHBondContact CG-O 3.37Å; L157-F178 HydrophobicContact CD1-CE1 3.73Å; L157-F178 HydrophobicContact CD1-CZ 4.41Å; E172-F178 HydrophobicContact CB-CD2 4.26Å; E172-F178 HydrophobicContact CB-CE2 4.26Å; E172-F178 HydrophobicContact CG-CD2 4.2Å; E172-F178 HydrophobicContact CG-CE2 3.71Å; E172-F178 VanDerWaalsContact O-CD2 3.22Å; E172-F178 WeakPolarHBondContact O-CD2 3.5Å; E173-F178 HydrophobicContact CG-CE1 4.21Å; E173-F178 HydrophobicContact CG-CE2 4.28Å; E173-F178 HydrophobicContact CG-CZ 4.03Å; V175-F178 PolarHBondContact O-N 3.04Å; F178-L181 HydrophobicContact CE2-CD2 4.24Å; F178-L181 HydrophobicContact CE2-CG 4.45Å; F178-L181 HydrophobicContact CZ-CG 4.38Å
179K88.7Confident91Very high167 Ų16761.3 Ų61.373%0.72632%0.319SS*.  trans-132.2155.2-179.3-64.1-178.1-178.1179.30109.9L181K179-L181 PolarHBondContact O-N 3.16Å
180T90.3Very high91.2Very high54 Ų5460.3 Ų60.333%0.33131%0.312SS..PPolyproline II helixtrans-47.1125.9171.4-42.80000110.6
181L92.1Very high91.4Very high15 Ų1560.3 Ų60.38%0.07931%0.312CS..PPolyproline II helixtrans-65.7144.9176-62.3177000109.9F178 K179 H185 R189 P238F178-L181 HydrophobicContact CE2-CD2 4.24Å; F178-L181 HydrophobicContact CE2-CG 4.45Å; F178-L181 HydrophobicContact CZ-CG 4.38Å; K179-L181 PolarHBondContact O-N 3.16Å; L181-H185 WeakPolarHBondContact CD1-O 3.47Å; L181-R189 HydrophobicContact CD1-CG 4.02Å; L181-P238 HydrophobicContact CD1-CB 3.97Å; L181-P238 HydrophobicContact CD2-CB 4Å; L181-P238 HydrophobicContact CD2-CG 3.7Å
182P92.7Very high91.6Very high81 Ų8159.4 Ų59.453%0.52630%0.304SS..PPolyproline II helixtrans-57.9142.9172.4-2132.1000110.8K184 H185 A186P182-K184 PolarHBondContact O-N 3.12Å; P182-H185 CarbonylContact O-C 3.56Å; P182-H185 WeakPolarHBondContact O-CA 3.46Å; P182-H185 PolarHBondContact O-N 3.38Å; P182-A186 PolarHBondContact O-N 2.89Å; P182-A186 VanDerWaalsContact O-N 3.08Å
183D89.8Confident91.9Very high96 Ų9658.5 Ų58.551%0.51330%0.301SS..G310 helixtrans-46.4-39.4-176.2-8330000114.4H185 A186D183-H185 PolarHBondContact O-N 3.36Å; D183-H185 VanDerWaalsContact O-N 3.14Å; D183-A186 PolarHBondContact O-N 2.94Å
184K91.5Very high92.2Very high165 Ų16557 Ų5772%0.71729%0.293SS*.G310 helixtrans-54.8-30.4175.5-177-177.6173-169.30113.4P182 H187P182-K184 PolarHBondContact O-N 3.12Å; K184-H187 PolarHBondContact O-CE1 3.26Å; K184-H187 PolarHBondContact O-ND1 2.91Å; K184-H187 VanDerWaalsContact O-ND1 3.14Å
185H94.4Very high92.7Very high34 Ų3450.1 Ų50.116%0.15727%0.268CS..G310 helixtrans-119.711.1-177.1-61.2-88.5000112.9L181 P182 D183 H187 S188 L239L181-H185 WeakPolarHBondContact CD1-O 3.47Å; P182-H185 CarbonylContact O-C 3.56Å; P182-H185 WeakPolarHBondContact O-CA 3.46Å; P182-H185 PolarHBondContact O-N 3.38Å; D183-H185 PolarHBondContact O-N 3.36Å; D183-H185 VanDerWaalsContact O-N 3.14Å; H185-H187 PolarHBondContact O-N 3.14Å; H185-S188 WeakPolarHBondContact O-CB 3.14Å; H185-S188 PolarHBondContact O-N 3.1Å; H185-S188 PolarHBondContact O-OG 2.98Å; H185-L239 HydrophobicContact CB-CD2 3.89Å; H185-L239 PolarHBondContact CE1-O 3.19Å; H185-L239 PolarHBondContact ND1-O 2.9Å
186A92.8Very high93.1Very high0 Ų047.9 Ų47.90%025%0.251CS..THydrogen-bonded Turntrans-68.2-19.2179.800000113.7S121 F149 P182 D183 S188 R189S121-A186 PolarHBondContact OG-O 3.31Å; F149-A186 HydrophobicContact CB-CB 3.51Å; F149-A186 HydrophobicContact CD1-CB 3.48Å; F149-A186 VanDerWaalsContact CD1-CB 3.48Å; F149-A186 HydrophobicContact CD2-CB 4.01Å; F149-A186 HydrophobicContact CE1-CB 4.1Å; F149-A186 HydrophobicContact CG-CB 3.41Å; F149-A186 VanDerWaalsContact CG-CB 3.41Å; P182-A186 PolarHBondContact O-N 2.89Å; P182-A186 VanDerWaalsContact O-N 3.08Å; D183-A186 PolarHBondContact O-N 2.94Å; A186-S188 VanDerWaalsContact C-N 3.28Å; A186-S188 PolarHBondContact O-N 3.44Å; A186-R189 PolarHBondContact O-NH2 2.78Å
187H95.3Very high93.6Very high22 Ų2238.7 Ų38.710%0.10221%0.209CC..THydrogen-bonded Turntrans-68.1-22.9170.866-81000113.3H115 F149 K184 H185 R189 D190 C191 S243H115-H187 HydrophobicContact CB-CB 4.31Å; F149-H187 HydrophobicContact CZ-CB 4.32Å; K184-H187 PolarHBondContact O-CE1 3.26Å; K184-H187 PolarHBondContact O-ND1 2.91Å; K184-H187 VanDerWaalsContact O-ND1 3.14Å; H185-H187 PolarHBondContact O-N 3.14Å; H187-R189 PolarHBondContact O-N 2.94Å; H187-D190 PolarHBondContact O-N 3.3Å; H187-C191 VanDerWaalsContact CD2-SG 3.56Å; H187-C191 PolarHBondContact O-N 2.9Å; H187-S243 PolarHBondContact NE2-N 3.29Å
188S96.5Very high94.3Very high0 Ų035.4 Ų35.40%018%0.175CC..Hα-helixtrans-60.4-22.2-171.4-63.80000115.5H185 A186 F192 P238 R241H185-S188 WeakPolarHBondContact O-CB 3.14Å; H185-S188 PolarHBondContact O-N 3.1Å; H185-S188 PolarHBondContact O-OG 2.98Å; A186-S188 VanDerWaalsContact C-N 3.28Å; A186-S188 PolarHBondContact O-N 3.44Å; S188-F192 PolarHBondContact O-N 2.77Å; S188-P238 VanDerWaalsContact CB-O 3.22Å; S188-P238 WeakPolarHBondContact CB-O 3.39Å; S188-P238 PolarHBondContact OG-O 3.26Å; S188-R241 WeakPolarHBondContact O-CD 3.43Å; S188-R241 PolarHBondContact O-NH1 3.43Å
189R94.5Very high94.7Very high0 Ų035.6 Ų35.60%018%0.176CC..Hα-helixtrans-70.7-44.8173.5-67174.5-66.2-136.3-6.8112.1S121 A152 P170 E173 L181 A186 H187 F192 S193S121-R189 PolarHBondContact OG-NH2 2.88Å; A152-R189 VanDerWaalsContact CB-CZ 3.48Å; A152-R189 VanDerWaalsContact CB-NH1 3.29Å; A152-R189 PolarHBondContact O-NH1 2.85Å; P170-R189 HydrophobicContact CG-CB 3.91Å; P170-R189 HydrophobicContact CG-CG 4.12Å; E173-R189 VanDerWaalsContact OE1-CD 3.25Å; E173-R189 WeakPolarHBondContact OE1-CD 3.34Å; E173-R189 WeakPolarHBondContact OE1-CG 3.47Å; L181-R189 HydrophobicContact CD1-CG 4.02Å; A186-R189 PolarHBondContact O-NH2 2.78Å; H187-R189 PolarHBondContact O-N 2.94Å; R189-F192 PolarHBondContact O-N 3.04Å; R189-S193 WeakPolarHBondContact O-CB 3.49Å; R189-S193 PolarHBondContact O-N 3.31Å; R189-S193 PolarHBondContact O-OG 2.85Å
190D97.3Very high95Very high0 Ų031.9 Ų31.90%017%0.167CC..Hα-helixtrans-71.8-34.3177.5-67.5-30.9000110.8H115 S121 H122 N123 V125 H187 F192 S193 F194H115-D190 IonicContact CD2-OD2 3.48Å; H115-D190 IonicContact CE1-OD2 2.72Å; H115-D190 WeakPolarHBondContact NE2-CB 3.32Å; H115-D190 IonicContact NE2-OD2 3.33Å; H115-D190 PolarHBondContact NE2-OD2 3.29Å; S121-D190 WeakPolarHBondContact CA-OD2 3.4Å; H122-D190 PolarHBondContact N-OD1 2.66Å; H122-D190 PolarHBondContact N-OD2 3.05Å; N123-D190 WeakPolarHBondContact CA-OD1 3.48Å; N123-D190 PolarHBondContact N-OD1 3.5Å; V125-D190 HydrophobicContact CG2-CB 4.19Å; H187-D190 PolarHBondContact O-N 3.3Å; D190-F192 PolarHBondContact O-N 3.18Å; D190-S193 PolarHBondContact O-N 2.9Å; D190-F194 VanDerWaalsContact O-CB 3.22Å; D190-F194 WeakPolarHBondContact O-CB 3.37Å; D190-F194 PolarHBondContact O-N 3.21Å
191C97.6Very high95.2Very high0 Ų029.7 Ų29.70%015%0.154CC..Hα-helixtrans-53.4-52.7170.1-73.90000111.8H187 G195 L233 P242H187-C191 VanDerWaalsContact CD2-SG 3.56Å; H187-C191 PolarHBondContact O-N 2.9Å; C191-G195 PolarHBondContact O-N 2.77Å; C191-L233 HydrophobicContact CB-CB 4.49Å; C191-L233 HydrophobicContact CB-CD2 3.94Å; C191-P242 PolarHBondContact SG-O 3.04Å
192F97.6Very high95.3Very high21 Ų2129.5 Ų29.59%0.09215%0.152CC..Hα-helixtrans-63.4-44.9178.2-177.3-84.9000111.7T168 P170 P171 S188 R189 D190 F194 G195 M196 L233 L234T168-F192 WeakPolarHBondContact O-CD1 3.38Å; P170-F192 HydrophobicContact CB-CB 4.36Å; P170-F192 HydrophobicContact CB-CD1 4.02Å; P170-F192 HydrophobicContact CB-CG 4.21Å; P170-F192 HydrophobicContact CG-CB 4.2Å; P170-F192 HydrophobicContact CG-CD1 4.05Å; P170-F192 HydrophobicContact CG-CG 4.37Å; P171-F192 HydrophobicContact CG-CE2 4.23Å; P171-F192 HydrophobicContact CG-CZ 4.5Å; S188-F192 PolarHBondContact O-N 2.77Å; R189-F192 PolarHBondContact O-N 3.04Å; D190-F192 PolarHBondContact O-N 3.18Å; F192-F194 PolarHBondContact O-N 2.86Å; F192-G195 PolarHBondContact O-N 3.27Å; F192-G195 VanDerWaalsContact O-N 3.14Å; F192-M196 HydrophobicContact CD1-CG 3.91Å; F192-M196 HydrophobicContact CE1-CG 3.38Å; F192-M196 HydrophobicContact CE1-SD 4.14Å; F192-M196 HydrophobicContact CE2-CG 4.5Å; F192-M196 HydrophobicContact CZ-CG 3.71Å; F192-M196 HydrophobicContact CZ-SD 3.85Å; F192-M196 WeakPolarHBondContact O-CG 3.47Å; F192-M196 PolarHBondContact O-N 2.97Å; F192-L233 WeakPolarHBondContact CA-O 3.22Å; F192-L234 HydrophobicContact CD2-CD2 4.03Å; F192-L234 HydrophobicContact CE2-CD2 3.96Å; F192-L234 HydrophobicContact CZ-CD2 4.39Å
193S97.1Very high95.3Very high1 Ų129.7 Ų29.71%0.00715%0.154CC..Hα-helixtrans-60.4-45179.8-55.30000112T168 R189 D190 M196 M197T168-S193 PolarHBondContact O-OG 2.97Å; R189-S193 WeakPolarHBondContact O-CB 3.49Å; R189-S193 PolarHBondContact O-N 3.31Å; R189-S193 PolarHBondContact O-OG 2.85Å; D190-S193 PolarHBondContact O-N 2.9Å; S193-M196 PolarHBondContact O-N 2.87Å; S193-M197 WeakPolarHBondContact O-CB 3.49Å; S193-M197 PolarHBondContact O-N 2.75Å; S193-M197 VanDerWaalsContact O-N 3.08Å
194F98.1Very high95.4Very high1 Ų126.8 Ų26.80%0.00414%0.138CC..Hα-helixtrans-62.7-43.9172.3176.4-92.9000111.7I104 L107 L108 L111 V125 D190 F192 M196 M197 V198 L233 L244 L247I104-F194 HydrophobicContact CG2-CE2 4.29Å; I104-F194 HydrophobicContact CG2-CZ 3.77Å; L107-F194 HydrophobicContact CB-CE2 4.23Å; L108-F194 HydrophobicContact CB-CE2 4.38Å; L108-F194 HydrophobicContact CB-CZ 4.1Å; L108-F194 HydrophobicContact CD1-CE1 4.01Å; L108-F194 HydrophobicContact CD1-CZ 3.85Å; L108-F194 HydrophobicContact CG-CZ 4.5Å; L111-F194 HydrophobicContact CD1-CB 4.01Å; L111-F194 HydrophobicContact CD1-CD2 3.64Å; L111-F194 HydrophobicContact CD1-CE2 4.46Å; L111-F194 HydrophobicContact CD1-CG 4.1Å; V125-F194 HydrophobicContact CG1-CB 4.19Å; D190-F194 VanDerWaalsContact O-CB 3.22Å; D190-F194 WeakPolarHBondContact O-CB 3.37Å; D190-F194 PolarHBondContact O-N 3.21Å; F192-F194 PolarHBondContact O-N 2.86Å; F194-M196 PolarHBondContact O-N 3.2Å; F194-M197 HydrophobicContact CD2-CE 3.8Å; F194-M197 HydrophobicContact CE2-CE 4.21Å; F194-M197 PolarHBondContact O-N 2.93Å; F194-V198 HydrophobicContact CD1-CG2 4.22Å; F194-V198 HydrophobicContact CD2-CG2 4.43Å; F194-V198 HydrophobicContact CE1-CG2 3.86Å; F194-V198 HydrophobicContact CE2-CG2 4.1Å; F194-V198 HydrophobicContact CG-CG2 4.49Å; F194-V198 HydrophobicContact CZ-CG2 3.81Å; F194-V198 WeakPolarHBondContact O-CG2 3.48Å; F194-V198 PolarHBondContact O-N 2.97Å; F194-L233 HydrophobicContact CD1-CD1 3.86Å; F194-L233 HydrophobicContact CE1-CD1 4.37Å; F194-L244 HydrophobicContact CD1-CD2 3.79Å; F194-L244 HydrophobicContact CE1-CD2 4.26Å; F194-L244 HydrophobicContact CG-CD2 4.27Å; F194-L247 HydrophobicContact CE1-CD2 3.85Å
195G97.6Very high95.3Very high0 Ų019.1 Ų19.10%011%0.105CC..Hα-helixtrans-58.7-44176.800000112.9C191 F192 V198 E199C191-G195 PolarHBondContact O-N 2.77Å; F192-G195 PolarHBondContact O-N 3.27Å; F192-G195 VanDerWaalsContact O-N 3.14Å; G195-V198 PolarHBondContact O-N 2.96Å; G195-E199 WeakPolarHBondContact O-CB 3.39Å; G195-E199 PolarHBondContact O-N 3.38Å
196M96.7Very high95.1Very high45 Ų4519.1 Ų19.122%0.22211%0.106CC..Hα-helixtrans-66.6-41.2177.8-73.9-57.7-52.200111.7T168 F192 S193 F194 E199 T200 L234T168-M196 HydrophobicContact CG2-CB 4.12Å; F192-M196 HydrophobicContact CD1-CG 3.91Å; F192-M196 HydrophobicContact CE1-CG 3.38Å; F192-M196 HydrophobicContact CE1-SD 4.14Å; F192-M196 HydrophobicContact CE2-CG 4.5Å; F192-M196 HydrophobicContact CZ-CG 3.71Å; F192-M196 HydrophobicContact CZ-SD 3.85Å; F192-M196 WeakPolarHBondContact O-CG 3.47Å; F192-M196 PolarHBondContact O-N 2.97Å; S193-M196 PolarHBondContact O-N 2.87Å; F194-M196 PolarHBondContact O-N 3.2Å; M196-E199 PolarHBondContact O-N 3.25Å; M196-T200 WeakPolarHBondContact O-CB 3.36Å; M196-T200 PolarHBondContact O-N 2.69Å; M196-T200 PolarHBondContact O-OG1 3.15Å; M196-L234 HydrophobicContact CB-CD2 4.47Å; M196-L234 HydrophobicContact CG-CD2 3.71Å; M196-L234 HydrophobicContact SD-CD2 3.58Å; M196-L234 VanDerWaalsContact SD-CD2 3.58Å
197M95.9Very high95Very high3 Ų324.1 Ų24.12%0.01513%0.132CC..Hα-helixtrans-62.7-44.5176.1-176.6-170.873.300111.5L107 V125 M127 V130 S193 F194 T200 L201L107-M197 HydrophobicContact CD1-CE 3.55Å; L107-M197 HydrophobicContact CD1-SD 4.28Å; V125-M197 HydrophobicContact CG1-CE 4.07Å; V125-M197 HydrophobicContact CG1-SD 3.94Å; M127-M197 HydrophobicContact CG-CG 4.28Å; M127-M197 HydrophobicContact SD-CG 3.43Å; M127-M197 WeakPolarHBondContact SD-CG 3.41Å; M127-M197 HydrophobicContact SD-SD 4.17Å; V130-M197 HydrophobicContact CG2-SD 4.22Å; S193-M197 WeakPolarHBondContact O-CB 3.49Å; S193-M197 PolarHBondContact O-N 2.75Å; S193-M197 VanDerWaalsContact O-N 3.08Å; F194-M197 HydrophobicContact CD2-CE 3.8Å; F194-M197 HydrophobicContact CE2-CE 4.21Å; F194-M197 PolarHBondContact O-N 2.93Å; M197-T200 WeakPolarHBondContact O-CB 3.45Å; M197-T200 PolarHBondContact O-N 2.71Å; M197-L201 PolarHBondContact O-N 2.76Å
198V96.9Very high94.6Very high1 Ų124.6 Ų24.61%0.00613%0.134CC..Hα-helixtrans-71.6-39.2176.9179.10000111.7I104 F194 G195 T200 L201 I202 L225 L229I104-V198 HydrophobicContact CD1-CG1 4.25Å; I104-V198 HydrophobicContact CG1-CG2 4.4Å; I104-V198 HydrophobicContact CG2-CG1 4.48Å; I104-V198 HydrophobicContact CG2-CG2 3.77Å; F194-V198 HydrophobicContact CD1-CG2 4.22Å; F194-V198 HydrophobicContact CD2-CG2 4.43Å; F194-V198 HydrophobicContact CE1-CG2 3.86Å; F194-V198 HydrophobicContact CE2-CG2 4.1Å; F194-V198 HydrophobicContact CG-CG2 4.49Å; F194-V198 HydrophobicContact CZ-CG2 3.81Å; F194-V198 WeakPolarHBondContact O-CG2 3.48Å; F194-V198 PolarHBondContact O-N 2.97Å; G195-V198 PolarHBondContact O-N 2.96Å; V198-T200 PolarHBondContact O-N 3.09Å; V198-L201 WeakPolarHBondContact O-CB 3.38Å; V198-L201 PolarHBondContact O-N 3.04Å; V198-I202 HydrophobicContact CG1-CD1 4.48Å; V198-I202 WeakPolarHBondContact O-CG1 3.5Å; V198-I202 PolarHBondContact O-N 3.14Å; V198-I202 VanDerWaalsContact O-N 3.1Å; V198-L225 HydrophobicContact CG1-CD2 3.85Å; V198-L229 HydrophobicContact CB-CD1 3.9Å; V198-L229 HydrophobicContact CG1-CD1 3.61Å
199E95.4Very high94Very high41 Ų4125.7 Ų25.719%0.19214%0.139CC..Hα-helixtrans-60.7-32.7173.7-176.7166.3-144.800112.1G195 M196 L201 P203 K226 Q230 L234G195-E199 WeakPolarHBondContact O-CB 3.39Å; G195-E199 PolarHBondContact O-N 3.38Å; M196-E199 PolarHBondContact O-N 3.25Å; E199-L201 VanDerWaalsContact C-N 3.34Å; E199-P203 VanDerWaalsContact O-CD 3.29Å; E199-P203 WeakPolarHBondContact O-CD 3.34Å; E199-K226 VanDerWaalsContact OE1-CE 3.25Å; E199-K226 WeakPolarHBondContact OE1-CE 3.43Å; E199-K226 IonicContact OE1-NZ 2.93Å; E199-K226 PolarHBondContact OE1-NZ 3.13Å; E199-Q230 PolarHBondContact OE1-NE2 3.38Å; E199-L234 HydrophobicContact CB-CD1 4.37Å; E199-L234 WeakPolarHBondContact OE2-CD1 3.42Å
200T94.6Very high93.4Very high90 Ų9030.9 Ų30.955%0.55217%0.167SC*.Hα-helixtrans-68.7-30.1173.2-550000112.7M196 M197 V198M196-T200 WeakPolarHBondContact O-CB 3.36Å; M196-T200 PolarHBondContact O-N 2.69Å; M196-T200 PolarHBondContact O-OG1 3.15Å; M197-T200 WeakPolarHBondContact O-CB 3.45Å; M197-T200 PolarHBondContact O-N 2.71Å; V198-T200 PolarHBondContact O-N 3.09Å
201L95Very high92.6Very high8 Ų837 Ų374%0.04220%0.2CC..Hα-helixtrans-80.3-26.2177.1-76.5170.6000114L92 L100 I104 M127 W138 M197 V198 E199 L204 L205L92-L201 HydrophobicContact CD2-CD2 3.73Å; L100-L201 HydrophobicContact CD2-CD2 4.43Å; I104-L201 HydrophobicContact CD1-CD1 4.16Å; I104-L201 HydrophobicContact CG1-CD1 4.11Å; M127-L201 HydrophobicContact CE-CD1 4.22Å; M127-L201 HydrophobicContact CE-CD2 3.72Å; M127-L201 HydrophobicContact CE-CG 4.17Å; M127-L201 HydrophobicContact SD-CD1 4.16Å; M127-L201 HydrophobicContact SD-CD2 4.37Å; M127-L201 HydrophobicContact SD-CG 4.19Å; W138-L201 HydrophobicContact CH2-CD1 4.04Å; W138-L201 HydrophobicContact CZ3-CD1 4.17Å; M197-L201 PolarHBondContact O-N 2.76Å; V198-L201 WeakPolarHBondContact O-CB 3.38Å; V198-L201 PolarHBondContact O-N 3.04Å; E199-L201 VanDerWaalsContact C-N 3.34Å; L201-L204 HydrophobicContact CD2-CD2 4.39Å; L201-L204 PolarHBondContact O-N 2.73Å; L201-L204 VanDerWaalsContact O-N 3.16Å; L201-L205 WeakPolarHBondContact O-CB 3.45Å; L201-L205 PolarHBondContact O-N 2.74Å
202I94.4Very high91.4Very high10 Ų1039 Ų395%0.05121%0.214CC..Hα-helixtrans-58.1-40.3-175.6-73.6170.5000113.9V198 L204 L205 N206 K226 L229V198-I202 HydrophobicContact CG1-CD1 4.48Å; V198-I202 WeakPolarHBondContact O-CG1 3.5Å; V198-I202 PolarHBondContact O-N 3.14Å; V198-I202 VanDerWaalsContact O-N 3.1Å; I202-L204 PolarHBondContact O-N 3.23Å; I202-L205 WeakPolarHBondContact O-CB 3.24Å; I202-L205 PolarHBondContact O-N 3.14Å; I202-N206 PolarHBondContact O-N 3.25Å; I202-N206 PolarHBondContact O-OD1 3.28Å; I202-K226 HydrophobicContact CD1-CB 3.8Å; I202-K226 HydrophobicContact CD1-CG 4.17Å; I202-K226 HydrophobicContact CG2-CD 4.49Å; I202-L229 HydrophobicContact CD1-CD1 4.21Å
203P92.9Very high89.7Confident85 Ų8546.2 Ų46.255%0.55225%0.253SS*.Hα-helixtrans-61.5-40.4174.5-25.735.3000114.1E199 L207E199-P203 VanDerWaalsContact O-CD 3.29Å; E199-P203 WeakPolarHBondContact O-CD 3.34Å; P203-L207 PolarHBondContact O-N 3Å; P203-L207 VanDerWaalsContact O-N 3.12Å
204L90.9Very high88Confident36 Ų3653.2 Ų53.219%0.18829%0.29CS..Hα-helixtrans-66.9-41.7175.5177.171.1000110.9L92 L201 I202 L207 K208L92-L204 HydrophobicContact CB-CD2 3.78Å; L92-L204 HydrophobicContact CD1-CD2 4.47Å; L92-L204 HydrophobicContact CD2-CD2 4.15Å; L92-L204 HydrophobicContact CG-CD2 4.35Å; L201-L204 HydrophobicContact CD2-CD2 4.39Å; L201-L204 PolarHBondContact O-N 2.73Å; L201-L204 VanDerWaalsContact O-N 3.16Å; I202-L204 PolarHBondContact O-N 3.23Å; L204-L207 PolarHBondContact O-N 3.41Å; L204-K208 HydrophobicContact CD1-CD 4.36Å; L204-K208 HydrophobicContact CG-CD 4.15Å; L204-K208 WeakPolarHBondContact O-CG 3.37Å; L204-K208 PolarHBondContact O-N 3.26Å; L204-K208 VanDerWaalsContact O-N 3.1Å
205L90.7Very high86.5Confident4 Ų454.5 Ų54.52%0.02130%0.304CS..Hα-helixtrans-60.2-50.4176.9-178.363.3000110.9P97 L100 L201 I202 L207 K208 I209 V217 F252P97-L205 HydrophobicContact CB-CD1 3.71Å; L100-L205 HydrophobicContact CB-CD1 4.14Å; L100-L205 HydrophobicContact CD1-CB 4.48Å; L100-L205 HydrophobicContact CD1-CD1 3.91Å; L201-L205 WeakPolarHBondContact O-CB 3.45Å; L201-L205 PolarHBondContact O-N 2.74Å; I202-L205 WeakPolarHBondContact O-CB 3.24Å; I202-L205 PolarHBondContact O-N 3.14Å; L205-L207 VanDerWaalsContact C-N 3.33Å; L205-L207 PolarHBondContact O-N 3.21Å; L205-K208 PolarHBondContact O-N 2.78Å; L205-K208 VanDerWaalsContact O-N 3.16Å; L205-I209 HydrophobicContact CD1-CD1 4.27Å; L205-I209 HydrophobicContact CD1-CG1 4.49Å; L205-I209 HydrophobicContact CG-CD1 3.86Å; L205-I209 HydrophobicContact CG-CG1 4.49Å; L205-I209 VanDerWaalsContact O-CG1 3.24Å; L205-I209 WeakPolarHBondContact O-CG1 3.23Å; L205-I209 PolarHBondContact O-N 3.25Å; L205-V217 HydrophobicContact CD1-CG1 4.36Å; L205-V217 HydrophobicContact CD2-CG1 4.28Å; L205-F252 HydrophobicContact CD2-CE2 3.68Å; L205-F252 HydrophobicContact CD2-CZ 3.74Å
206N90.1Very high85.3Confident33 Ų3358.7 Ų58.718%0.17632%0.32CS..Hα-helixtrans-59.6-39.9177.2-81.548.6000112.7I202 K208 I209 N210 E219 S222I202-N206 PolarHBondContact O-N 3.25Å; I202-N206 PolarHBondContact O-OD1 3.28Å; N206-K208 PolarHBondContact O-N 2.85Å; N206-I209 PolarHBondContact O-N 3.28Å; N206-N210 PolarHBondContact O-N 3.27Å; N206-N210 PolarHBondContact O-ND2 3.36Å; N206-E219 PolarHBondContact ND2-OE1 2.72Å; N206-S222 WeakPolarHBondContact OD1-CB 3.34Å; N206-S222 PolarHBondContact OD1-OG 2.94Å
207L89.6Confident84.6Confident105 Ų10556.6 Ų56.655%0.5531%0.31SS..Hα-helixtrans-57.2-50.5174-178.563.2000111.1P203 L204 L205 I209 N210 D211P203-L207 PolarHBondContact O-N 3Å; P203-L207 VanDerWaalsContact O-N 3.12Å; L204-L207 PolarHBondContact O-N 3.41Å; L205-L207 VanDerWaalsContact C-N 3.33Å; L205-L207 PolarHBondContact O-N 3.21Å; L207-I209 VanDerWaalsContact C-N 3.31Å; L207-I209 PolarHBondContact O-N 3.03Å; L207-N210 PolarHBondContact O-N 3.11Å; L207-N210 VanDerWaalsContact O-N 3.15Å; L207-D211 PolarHBondContact O-N 2.9Å; L207-D211 VanDerWaalsContact O-N 3.16Å
208K86.7Confident84.1Confident33 Ų3358.9 Ų58.914%0.14333%0.326CS..Hα-helixtrans-66.7-27.2179.2-70.5169.1169-72.70114.1L92 D93 L95 P97 L100 L204 L205 N206 S212L92-K208 WeakPolarHBondContact O-CE 3.39Å; L92-K208 PolarHBondContact O-NZ 3.15Å; D93-K208 VanDerWaalsContact C-NZ 3.34Å; D93-K208 PolarHBondContact O-NZ 3.12Å; L95-K208 WeakPolarHBondContact O-CD 3.43Å; L95-K208 WeakPolarHBondContact O-CE 3.21Å; L95-K208 PolarHBondContact O-NZ 3.1Å; P97-K208 HydrophobicContact CG-CB 3.91Å; L100-K208 HydrophobicContact CD1-CD 3.73Å; L204-K208 HydrophobicContact CD1-CD 4.36Å; L204-K208 HydrophobicContact CG-CD 4.15Å; L204-K208 WeakPolarHBondContact O-CG 3.37Å; L204-K208 PolarHBondContact O-N 3.26Å; L204-K208 VanDerWaalsContact O-N 3.1Å; L205-K208 PolarHBondContact O-N 2.78Å; L205-K208 VanDerWaalsContact O-N 3.16Å; N206-K208 PolarHBondContact O-N 2.85Å; K208-S212 WeakPolarHBondContact O-CB 3.36Å; K208-S212 PolarHBondContact O-N 3.23Å
209I85.4Confident83.7Confident22 Ų2263 Ų6311%0.11335%0.345CS..Hα-helixtrans-68.6-43.6172-69.2167.9000110.1P97 L205 N206 L207 D211 S212 V217 E219P97-I209 HydrophobicContact CB-CG1 4.04Å; P97-I209 HydrophobicContact CG-CG1 4.04Å; L205-I209 HydrophobicContact CD1-CD1 4.27Å; L205-I209 HydrophobicContact CD1-CG1 4.49Å; L205-I209 HydrophobicContact CG-CD1 3.86Å; L205-I209 HydrophobicContact CG-CG1 4.49Å; L205-I209 VanDerWaalsContact O-CG1 3.24Å; L205-I209 WeakPolarHBondContact O-CG1 3.23Å; L205-I209 PolarHBondContact O-N 3.25Å; N206-I209 PolarHBondContact O-N 3.28Å; L207-I209 VanDerWaalsContact C-N 3.31Å; L207-I209 PolarHBondContact O-N 3.03Å; I209-D211 VanDerWaalsContact C-N 3.27Å; I209-D211 PolarHBondContact O-N 3.01Å; I209-S212 PolarHBondContact O-N 3.44Å; I209-V217 HydrophobicContact CD1-CB 4.2Å; I209-V217 HydrophobicContact CD1-CG1 3.88Å; I209-V217 VanDerWaalsContact CD1-O 3.27Å; I209-V217 WeakPolarHBondContact CD1-O 3.43Å; I209-V217 HydrophobicContact CG1-CB 4.45Å; I209-V217 WeakPolarHBondContact CG1-O 3.27Å; I209-V217 WeakPolarHBondContact CG2-O 3.47Å; I209-E219 HydrophobicContact CG2-CG 4.08Å
210N81.6Confident83.5Confident109 Ų10968.4 Ų68.458%0.58337%0.37SS*.Hα-helixtrans-66.6-28177.8-75.8-81.8000113N206 L207 S212 E219N206-N210 PolarHBondContact O-N 3.27Å; N206-N210 PolarHBondContact O-ND2 3.36Å; L207-N210 PolarHBondContact O-N 3.11Å; L207-N210 VanDerWaalsContact O-N 3.15Å; N210-S212 VanDerWaalsContact C-N 3.34Å; N210-E219 PolarHBondContact ND2-OE1 3Å
211D80.3Confident83.3Confident129 Ų12965.4 Ų65.469%0.6935%0.351SS*.THydrogen-bonded Turntrans-78.3-14.4171.5-68-34.5000113.4L207 I209L207-D211 PolarHBondContact O-N 2.9Å; L207-D211 VanDerWaalsContact O-N 3.16Å; I209-D211 VanDerWaalsContact C-N 3.27Å; I209-D211 PolarHBondContact O-N 3.01Å
212S71.8Confident83.2Confident43 Ų4365 Ų6530%0.30135%0.349SS..  trans-108.199.7-174.7-172.40000112.6K208 I209 N210 N214 G215K208-S212 WeakPolarHBondContact O-CB 3.36Å; K208-S212 PolarHBondContact O-N 3.23Å; I209-S212 PolarHBondContact O-N 3.44Å; N210-S212 VanDerWaalsContact C-N 3.34Å; S212-N214 PolarHBondContact O-N 3.39Å; S212-N214 VanDerWaalsContact O-N 3.1Å; S212-G215 PolarHBondContact OG-N 2.86Å
213L61.2Low83.2Confident172 Ų17265.7 Ų65.790%0.90136%0.358SS*.THydrogen-bonded Turntrans-62.2-16.1-179.4-83.8149.9000115.5
214N62.2Low83.4Confident148 Ų14863 Ų6379%0.79134%0.341SS*.THydrogen-bonded Turntrans-137.613.3-169-80.583.9000114.1S212S212-N214 PolarHBondContact O-N 3.39Å; S212-N214 VanDerWaalsContact O-N 3.1Å
215G66.4Low83.7Confident28 Ų2861.3 Ų61.329%0.28933%0.332SS..  trans-70.6145.5177.600000113.1E98 S212E98-G215 WeakPolarHBondContact OE1-CA 3.14Å; S212-G215 PolarHBondContact OG-N 2.86Å
216Y73Confident84Confident87 Ų8764.1 Ų64.134%0.34134%0.344SS..SBendtrans-71.7-33.8172.7139.3-83.6000111.5E98 S218 L221 D251 F252 R254 N255E98-Y216 PolarHBondContact OE1-N 3.47Å; Y216-S218 PolarHBondContact O-N 3.48Å; Y216-L221 HydrophobicContact CE1-CD2 3.95Å; Y216-L221 HydrophobicContact CE2-CD2 4.17Å; Y216-L221 WeakPolarHBondContact OH-CD2 3.4Å; Y216-D251 PolarHBondContact OH-O 3.35Å; Y216-F252 PolarHBondContact OH-O 3.38Å; Y216-R254 PolarHBondContact OH-O 3.19Å; Y216-N255 HydrophobicContact CD1-CB 3.85Å; Y216-N255 HydrophobicContact CD2-CB 4.21Å; Y216-N255 HydrophobicContact CE1-CB 3.48Å; Y216-N255 VanDerWaalsContact CE1-CB 3.48Å; Y216-N255 HydrophobicContact CE2-CB 3.82Å; Y216-N255 HydrophobicContact CG-CB 4.22Å; Y216-N255 VanDerWaalsContact CZ-CB 3.46Å
217V80.8Confident84.3Confident2 Ų269.4 Ų69.41%0.01236%0.362CS..  trans-73.7112.1-175.7-1650000108.4P97 E98 C101 L205 I209 F252P97-V217 HydrophobicContact CB-CB 3.96Å; P97-V217 HydrophobicContact CB-CG2 3.97Å; E98-V217 HydrophobicContact CG-CG2 4.38Å; C101-V217 HydrophobicContact CB-CG2 4.34Å; L205-V217 HydrophobicContact CD1-CG1 4.36Å; L205-V217 HydrophobicContact CD2-CG1 4.28Å; I209-V217 HydrophobicContact CD1-CB 4.2Å; I209-V217 HydrophobicContact CD1-CG1 3.88Å; I209-V217 VanDerWaalsContact CD1-O 3.27Å; I209-V217 WeakPolarHBondContact CD1-O 3.43Å; I209-V217 HydrophobicContact CG1-CB 4.45Å; I209-V217 WeakPolarHBondContact CG1-O 3.27Å; I209-V217 WeakPolarHBondContact CG2-O 3.47Å; V217-F252 HydrophobicContact CG1-CD2 4.36Å; V217-F252 HydrophobicContact CG1-CE2 3.72Å; V217-F252 HydrophobicContact CG1-CZ 4.39Å
218S85.9Confident84.7Confident50 Ų5067 Ų6735%0.3535%0.351SS..  trans-100.6160.3-178.576.40000112.9Y216 E220 L221 S222Y216-S218 PolarHBondContact O-N 3.48Å; S218-E220 PolarHBondContact O-N 3.05Å; S218-E220 PolarHBondContact OG-N 3.22Å; S218-L221 WeakPolarHBondContact O-CB 3.28Å; S218-L221 PolarHBondContact O-N 3.34Å; S218-L221 VanDerWaalsContact O-N 3.09Å; S218-L221 WeakPolarHBondContact OG-CB 3.39Å; S218-L221 PolarHBondContact OG-N 2.94Å; S218-S222 PolarHBondContact O-N 3.47Å
219E88.3Confident85.2Confident89 Ų8965.4 Ų65.442%0.41635%0.345SS..Hα-helixtrans-63.3-27.4173.1-65.9-153.1125.500113N206 I209 N210 L221 S222 G223N206-E219 PolarHBondContact ND2-OE1 2.72Å; I209-E219 HydrophobicContact CG2-CG 4.08Å; N210-E219 PolarHBondContact ND2-OE1 3Å; E219-L221 VanDerWaalsContact C-N 3.34Å; E219-S222 PolarHBondContact O-OG 3.44Å; E219-G223 WeakPolarHBondContact O-CA 3.38Å; E219-G223 PolarHBondContact O-N 3.44Å
220E90.8Very high85.7Confident153 Ų15369 Ų6972%0.71536%0.361SS*.Hα-helixtrans-66.8-40172.5178.3169.6-158.800110.9S218 G223 S224S218-E220 PolarHBondContact O-N 3.05Å; S218-E220 PolarHBondContact OG-N 3.22Å; E220-G223 CarbonylContact O-C 3.38Å; E220-G223 PolarHBondContact O-N 3.14Å; E220-S224 WeakPolarHBondContact O-CB 3.25Å; E220-S224 PolarHBondContact O-N 2.97Å
221L91.8Very high86.4Confident27 Ų2767.7 Ų67.714%0.14137%0.365CS..Hα-helixtrans-72.2-43.7-178.5-162.866.7000111.8Y216 S218 E219 S224 L225 H250 D251 F252Y216-L221 HydrophobicContact CE1-CD2 3.95Å; Y216-L221 HydrophobicContact CE2-CD2 4.17Å; Y216-L221 WeakPolarHBondContact OH-CD2 3.4Å; S218-L221 WeakPolarHBondContact O-CB 3.28Å; S218-L221 PolarHBondContact O-N 3.34Å; S218-L221 VanDerWaalsContact O-N 3.09Å; S218-L221 WeakPolarHBondContact OG-CB 3.39Å; S218-L221 PolarHBondContact OG-N 2.94Å; E219-L221 VanDerWaalsContact C-N 3.34Å; L221-S224 WeakPolarHBondContact O-CB 3.32Å; L221-S224 PolarHBondContact O-N 2.88Å; L221-L225 PolarHBondContact O-N 3.39Å; L221-H250 PolarHBondContact O-CE1 3.44Å; L221-D251 HydrophobicContact CD1-CB 4.02Å; L221-F252 HydrophobicContact CD2-CD2 4.37Å; L221-F252 HydrophobicContact CG-CB 4.21Å; L221-F252 HydrophobicContact CG-CD2 4.08Å
222S92.9Very high87.1Confident0 Ų062.1 Ų62.10%034%0.338CS..Hα-helixtrans-66.4-37.8171.871.10000111.6N206 S218 E219 S224 L225 K226N206-S222 WeakPolarHBondContact OD1-CB 3.34Å; N206-S222 PolarHBondContact OD1-OG 2.94Å; S218-S222 PolarHBondContact O-N 3.47Å; E219-S222 PolarHBondContact O-OG 3.44Å; S222-S224 VanDerWaalsContact C-N 3.31Å; S222-S224 PolarHBondContact O-N 3.08Å; S222-L225 PolarHBondContact O-N 2.88Å; S222-K226 WeakPolarHBondContact O-CB 3.42Å; S222-K226 PolarHBondContact O-N 3.04Å
223G94.6Very high88.3Confident24 Ų2460.2 Ų60.225%0.24733%0.325CS..Hα-helixtrans-66.8-28.5172.200000113.5E219 E220 R227E219-G223 WeakPolarHBondContact O-CA 3.38Å; E219-G223 PolarHBondContact O-N 3.44Å; E220-G223 CarbonylContact O-C 3.38Å; E220-G223 PolarHBondContact O-N 3.14Å; G223-R227 WeakPolarHBondContact O-CG 3.41Å; G223-R227 PolarHBondContact O-N 3.13Å; G223-R227 PolarHBondContact O-NE 3.02Å
224S96.4Very high90Very high28 Ų2853.1 Ų53.120%0.19629%0.288CS..Hα-helixtrans-71.6-48170.5-168.40000110.9E220 L221 S222 K226 R227 T228 H250E220-S224 WeakPolarHBondContact O-CB 3.25Å; E220-S224 PolarHBondContact O-N 2.97Å; L221-S224 WeakPolarHBondContact O-CB 3.32Å; L221-S224 PolarHBondContact O-N 2.88Å; S222-S224 VanDerWaalsContact C-N 3.31Å; S222-S224 PolarHBondContact O-N 3.08Å; S224-K226 VanDerWaalsContact C-N 3.31Å; S224-K226 PolarHBondContact O-N 3.11Å; S224-R227 VanDerWaalsContact CA-NH2 3.28Å; S224-R227 PolarHBondContact O-N 3.42Å; S224-R227 VanDerWaalsContact O-N 3.15Å; S224-T228 PolarHBondContact O-N 3.09Å; S224-T228 PolarHBondContact O-OG1 3.5Å; S224-H250 VanDerWaalsContact CB-CE1 3.43Å; S224-H250 WeakPolarHBondContact CB-CE1 3.26Å; S224-H250 VanDerWaalsContact CB-NE2 3.32Å; S224-H250 WeakPolarHBondContact CB-NE2 3.36Å; S224-H250 PolarHBondContact O-NE2 3.47Å; S224-H250 PolarHBondContact OG-NE2 3.17Å
225L96.4Very high91.5Very high1 Ų147.6 Ų47.61%0.00526%0.26CS..Hα-helixtrans-56-47.1174.3-177.966.6000110.7V198 L221 S222 R227 T228 L229 L247 H250 F252 F253V198-L225 HydrophobicContact CG1-CD2 3.85Å; L221-L225 PolarHBondContact O-N 3.39Å; S222-L225 PolarHBondContact O-N 2.88Å; L225-R227 VanDerWaalsContact C-N 3.32Å; L225-R227 PolarHBondContact O-N 3.44Å; L225-T228 PolarHBondContact O-N 3.25Å; L225-T228 VanDerWaalsContact O-N 3.12Å; L225-L229 HydrophobicContact CD1-CG 4.36Å; L225-L229 HydrophobicContact CG-CD1 4.07Å; L225-L229 HydrophobicContact CG-CG 4.3Å; L225-L229 VanDerWaalsContact O-CG 3.29Å; L225-L229 WeakPolarHBondContact O-CG 3.28Å; L225-L229 PolarHBondContact O-N 3.09Å; L225-L247 HydrophobicContact CD1-CD1 4.32Å; L225-L247 HydrophobicContact CD1-CD2 4.36Å; L225-H250 WeakPolarHBondContact CA-CE1 3.48Å; L225-H250 WeakPolarHBondContact CB-CE1 3.44Å; L225-H250 PolarHBondContact N-CE1 3.2Å; L225-H250 PolarHBondContact N-NE2 3.16Å; L225-F252 HydrophobicContact CB-CB 4.39Å; L225-F252 HydrophobicContact CB-CD2 4.19Å; L225-F252 HydrophobicContact CB-CG 4.31Å; L225-F252 HydrophobicContact CD1-CB 4.48Å; L225-F252 HydrophobicContact CD2-CD1 3.8Å; L225-F252 HydrophobicContact CD2-CD2 3.91Å; L225-F252 HydrophobicContact CD2-CE1 3.85Å; L225-F252 HydrophobicContact CD2-CE2 3.96Å; L225-F252 HydrophobicContact CD2-CG 3.83Å; L225-F252 HydrophobicContact CD2-CZ 3.94Å; L225-F252 HydrophobicContact CG-CG 4.46Å; L225-F253 HydrophobicContact CD1-CE2 4.15Å
226K96.9Very high92.7Very high63 Ų6351 Ų5127%0.27428%0.279SS..Hα-helixtrans-54.6-45.9176.8-164.1178.3173.587.80112.2E199 I202 S222 S224 L229 Q230E199-K226 VanDerWaalsContact OE1-CE 3.25Å; E199-K226 WeakPolarHBondContact OE1-CE 3.43Å; E199-K226 IonicContact OE1-NZ 2.93Å; E199-K226 PolarHBondContact OE1-NZ 3.13Å; I202-K226 HydrophobicContact CD1-CB 3.8Å; I202-K226 HydrophobicContact CD1-CG 4.17Å; I202-K226 HydrophobicContact CG2-CD 4.49Å; S222-K226 WeakPolarHBondContact O-CB 3.42Å; S222-K226 PolarHBondContact O-N 3.04Å; S224-K226 VanDerWaalsContact C-N 3.31Å; S224-K226 PolarHBondContact O-N 3.11Å; K226-L229 PolarHBondContact O-N 2.98Å; K226-Q230 WeakPolarHBondContact O-CB 3.24Å; K226-Q230 VanDerWaalsContact O-CG 3.3Å; K226-Q230 WeakPolarHBondContact O-CG 3.38Å; K226-Q230 PolarHBondContact O-N 3.18Å
227R97.4Very high93.7Very high145 Ų14550.4 Ų50.455%0.54728%0.281SS..Hα-helixtrans-63-43.7177-74.8173.4-75146.9-10.5111.8G223 S224 L225 Q230 A231G223-R227 WeakPolarHBondContact O-CG 3.41Å; G223-R227 PolarHBondContact O-N 3.13Å; G223-R227 PolarHBondContact O-NE 3.02Å; S224-R227 VanDerWaalsContact CA-NH2 3.28Å; S224-R227 PolarHBondContact O-N 3.42Å; S224-R227 VanDerWaalsContact O-N 3.15Å; L225-R227 VanDerWaalsContact C-N 3.32Å; L225-R227 PolarHBondContact O-N 3.44Å; R227-Q230 PolarHBondContact O-N 3.23Å; R227-A231 VanDerWaalsContact O-CB 3.28Å; R227-A231 WeakPolarHBondContact O-CB 3.23Å; R227-A231 PolarHBondContact O-N 2.88Å
228T97.2Very high94.3Very high53 Ų5350.9 Ų50.933%0.32529%0.285SS..Hα-helixtrans-64.2-40176.7-59.90000112.4S224 L225 G232 L247 H250S224-T228 PolarHBondContact O-N 3.09Å; S224-T228 PolarHBondContact O-OG1 3.5Å; L225-T228 PolarHBondContact O-N 3.25Å; L225-T228 VanDerWaalsContact O-N 3.12Å; T228-G232 PolarHBondContact O-N 3.33Å; T228-L247 HydrophobicContact CG2-CD1 3.68Å; T228-H250 PolarHBondContact OG1-CD2 2.65Å; T228-H250 VanDerWaalsContact OG1-CD2 3.31Å; T228-H250 PolarHBondContact OG1-NE2 3.22Å
229L97Very high94.7Very high1 Ų152.8 Ų52.81%0.00529%0.29CS..Hα-helixtrans-63.8-48.3174.1-66.1174.1000111.3V198 I202 L225 K226 A231 G232 L233 L234 L247V198-L229 HydrophobicContact CB-CD1 3.9Å; V198-L229 HydrophobicContact CG1-CD1 3.61Å; I202-L229 HydrophobicContact CD1-CD1 4.21Å; L225-L229 HydrophobicContact CD1-CG 4.36Å; L225-L229 HydrophobicContact CG-CD1 4.07Å; L225-L229 HydrophobicContact CG-CG 4.3Å; L225-L229 VanDerWaalsContact O-CG 3.29Å; L225-L229 WeakPolarHBondContact O-CG 3.28Å; L225-L229 PolarHBondContact O-N 3.09Å; K226-L229 PolarHBondContact O-N 2.98Å; L229-A231 PolarHBondContact O-N 3.33Å; L229-G232 PolarHBondContact O-N 3.11Å; L229-L233 HydrophobicContact CD2-CD1 3.65Å; L229-L233 HydrophobicContact CD2-CG 4.19Å; L229-L233 PolarHBondContact O-N 2.71Å; L229-L234 HydrophobicContact CB-CD1 4.15Å; L229-L234 WeakPolarHBondContact O-CB 3.4Å; L229-L234 PolarHBondContact O-N 2.81Å; L229-L247 HydrophobicContact CD2-CD2 4.33Å
230Q96.3Very high95Very high96 Ų9651.5 Ų51.545%0.44929%0.292SS..Hα-helixtrans-65.8-35.6-179.4-73.2-177.3-14.900113.5E199 K226 R227 L234E199-Q230 PolarHBondContact OE1-NE2 3.38Å; K226-Q230 WeakPolarHBondContact O-CB 3.24Å; K226-Q230 VanDerWaalsContact O-CG 3.3Å; K226-Q230 WeakPolarHBondContact O-CG 3.38Å; K226-Q230 PolarHBondContact O-N 3.18Å; R227-Q230 PolarHBondContact O-N 3.23Å; Q230-L234 HydrophobicContact CG-CD1 4.12Å
231A95.9Very high95.3Very high82 Ų8244.5 Ų44.568%0.67826%0.258SS*.Hα-helixtrans-82.7-16.3177.200000114.1R227 L229 T235R227-A231 VanDerWaalsContact O-CB 3.28Å; R227-A231 WeakPolarHBondContact O-CB 3.23Å; R227-A231 PolarHBondContact O-N 2.88Å; L229-A231 PolarHBondContact O-N 3.33Å; A231-T235 WeakPolarHBondContact O-CG2 3.43Å
232G96.1Very high95.5Very high12 Ų1245.3 Ų45.312%0.12427%0.266CS..THydrogen-bonded Turntrans-122.6-74-171.900000114.3T228 L229 T235T228-G232 PolarHBondContact O-N 3.33Å; L229-G232 PolarHBondContact O-N 3.11Å; G232-T235 PolarHBondContact O-OG1 3.5Å
233L96.4Very high95.6Very high3 Ų347 Ų472%0.01628%0.277CS..THydrogen-bonded Turntrans-77.4-25.4-171-54.7-171.2000113.7C191 F192 F194 L229 R241 P242 L244 L247C191-L233 HydrophobicContact CB-CB 4.49Å; C191-L233 HydrophobicContact CB-CD2 3.94Å; F192-L233 WeakPolarHBondContact CA-O 3.22Å; F194-L233 HydrophobicContact CD1-CD1 3.86Å; F194-L233 HydrophobicContact CE1-CD1 4.37Å; L229-L233 HydrophobicContact CD2-CD1 3.65Å; L229-L233 HydrophobicContact CD2-CG 4.19Å; L229-L233 PolarHBondContact O-N 2.71Å; L233-R241 VanDerWaalsContact O-CD 3.25Å; L233-R241 WeakPolarHBondContact O-CD 3.36Å; L233-R241 PolarHBondContact O-NE 3.42Å; L233-P242 HydrophobicContact CD2-CG 3.93Å; L233-L244 HydrophobicContact CD1-CD2 3.61Å; L233-L244 HydrophobicContact CD2-CD2 4.21Å; L233-L247 HydrophobicContact CD1-CD2 4.48Å
234L96.4Very high95.7Very high24 Ų2445.9 Ų45.913%0.12627%0.265CS..THydrogen-bonded Turntrans-97.67.8-174.7-64.8175.5000114.1F192 M196 E199 L229 Q230F192-L234 HydrophobicContact CD2-CD2 4.03Å; F192-L234 HydrophobicContact CE2-CD2 3.96Å; F192-L234 HydrophobicContact CZ-CD2 4.39Å; M196-L234 HydrophobicContact CB-CD2 4.47Å; M196-L234 HydrophobicContact CG-CD2 3.71Å; M196-L234 HydrophobicContact SD-CD2 3.58Å; M196-L234 VanDerWaalsContact SD-CD2 3.58Å; E199-L234 HydrophobicContact CB-CD1 4.37Å; E199-L234 WeakPolarHBondContact OE2-CD1 3.42Å; L229-L234 HydrophobicContact CB-CD1 4.15Å; L229-L234 WeakPolarHBondContact O-CB 3.4Å; L229-L234 PolarHBondContact O-N 2.81Å; Q230-L234 HydrophobicContact CG-CD1 4.12Å
235T94.8Very high95.7Very high32 Ų3246.2 Ų46.220%0.19627%0.268CS..  trans-65.1147.817859.40000111.5A231 G232 D237 S240 R241A231-T235 WeakPolarHBondContact O-CG2 3.43Å; G232-T235 PolarHBondContact O-OG1 3.5Å; T235-D237 VanDerWaalsContact C-N 3.3Å; T235-D237 PolarHBondContact O-N 3.05Å; T235-D237 PolarHBondContact OG1-O 3.31Å; T235-S240 WeakPolarHBondContact CB-OG 3.34Å; T235-S240 PolarHBondContact OG1-OG 3.06Å; T235-R241 VanDerWaalsContact O-CZ 3.3Å; T235-R241 PolarHBondContact O-NE 3.29Å; T235-R241 PolarHBondContact O-NH2 2.84Å; T235-R241 VanDerWaalsContact OG1-CG 3.31Å; T235-R241 WeakPolarHBondContact OG1-CG 3.43Å
236S91.4Very high95.7Very high99 Ų9949.3 Ų49.369%0.69229%0.29SS*.SBendtrans-70.4-23.6-178.7-48.60000113.8
237D93.4Very high95.6Very high74 Ų7446.5 Ų46.540%0.39628%0.277SS..  trans-91.2114.5175.4167.734.9000110.9T235 L239 S240T235-D237 VanDerWaalsContact C-N 3.3Å; T235-D237 PolarHBondContact O-N 3.05Å; T235-D237 PolarHBondContact OG1-O 3.31Å; D237-L239 PolarHBondContact O-N 3.13Å; D237-L239 WeakPolarHBondContact OD1-CB 3.5Å; D237-L239 PolarHBondContact OD1-N 3.49Å; D237-S240 PolarHBondContact O-N 2.88Å; D237-S240 PolarHBondContact O-OG 2.82Å; D237-S240 WeakPolarHBondContact OD2-CB 3.28Å; D237-S240 PolarHBondContact OD2-N 3.39Å
238P94.3Very high95.4Very high13 Ų1342.1 Ų42.18%0.08427%0.265CS..THydrogen-bonded Turntrans-64.6-20.1177.428.6-36.9000114E172 L181 S188E172-P238 HydrophobicContact CB-CG 4.25Å; E172-P238 HydrophobicContact CG-CB 4.3Å; E172-P238 HydrophobicContact CG-CG 3.96Å; L181-P238 HydrophobicContact CD1-CB 3.97Å; L181-P238 HydrophobicContact CD2-CB 4Å; L181-P238 HydrophobicContact CD2-CG 3.7Å; S188-P238 VanDerWaalsContact CB-O 3.22Å; S188-P238 WeakPolarHBondContact CB-O 3.39Å; S188-P238 PolarHBondContact OG-O 3.26Å
239L94.7Very high95.2Very high89 Ų8943.9 Ų43.947%0.46628%0.275SS..THydrogen-bonded Turntrans-76.4-29178.1-55.6-178.3000112H185 D237H185-L239 HydrophobicContact CB-CD2 3.89Å; H185-L239 PolarHBondContact CE1-O 3.19Å; H185-L239 PolarHBondContact ND1-O 2.9Å; D237-L239 PolarHBondContact O-N 3.13Å; D237-L239 WeakPolarHBondContact OD1-CB 3.5Å; D237-L239 PolarHBondContact OD1-N 3.49Å
240S94.4Very high95.2Very high63 Ų6344.8 Ų44.844%0.44128%0.28SS..THydrogen-bonded Turntrans-74.5-19.7174.572.50000115T235 D237T235-S240 WeakPolarHBondContact CB-OG 3.34Å; T235-S240 PolarHBondContact OG1-OG 3.06Å; D237-S240 PolarHBondContact O-N 2.88Å; D237-S240 PolarHBondContact O-OG 2.82Å; D237-S240 WeakPolarHBondContact OD2-CB 3.28Å; D237-S240 PolarHBondContact OD2-N 3.39Å
241R96.4Very high95Very high5 Ų544.1 Ų44.12%0.01928%0.279CS..PPolyproline II helixtrans-70.1130.1-175.6-62.9-177.3-164.8135.214.2110.8E172 S188 L233 T235E172-R241 IonicContact OE1-CZ 3.6Å; E172-R241 IonicContact OE1-NH1 3.58Å; E172-R241 PolarHBondContact OE1-NH1 3.3Å; E172-R241 IonicContact OE1-NH2 3.62Å; E172-R241 IonicContact OE2-CZ 2.73Å; E172-R241 IonicContact OE2-NH1 3.53Å; E172-R241 PolarHBondContact OE2-NH1 3.21Å; E172-R241 IonicContact OE2-NH2 2.64Å; E172-R241 PolarHBondContact OE2-NH2 2.93Å; S188-R241 WeakPolarHBondContact O-CD 3.43Å; S188-R241 PolarHBondContact O-NH1 3.43Å; L233-R241 VanDerWaalsContact O-CD 3.25Å; L233-R241 WeakPolarHBondContact O-CD 3.36Å; L233-R241 PolarHBondContact O-NE 3.42Å; T235-R241 VanDerWaalsContact O-CZ 3.3Å; T235-R241 PolarHBondContact O-NE 3.29Å; T235-R241 PolarHBondContact O-NH2 2.84Å; T235-R241 VanDerWaalsContact OG1-CG 3.31Å; T235-R241 WeakPolarHBondContact OG1-CG 3.43Å
242P95.7Very high94.9Very high45 Ų4540.2 Ų40.229%0.29225%0.247SC..PPolyproline II helixtrans-76.4165.7176.832.4-35.8000112.1C191 L233C191-P242 PolarHBondContact SG-O 3.04Å; L233-P242 HydrophobicContact CD2-CG 3.93Å
243S96Very high94.8Very high35 Ų3540.1 Ų40.125%0.24524%0.243CC..PPolyproline II helixtrans-63.7143.7166.8-177.40000110.8H187 S245 S246H187-S243 PolarHBondContact NE2-N 3.29Å; S243-S245 PolarHBondContact O-N 2.99Å; S243-S245 VanDerWaalsContact O-N 3.1Å; S243-S245 PolarHBondContact OG-N 2.83Å; S243-S245 PolarHBondContact OG-OG 2.87Å; S243-S246 WeakPolarHBondContact O-CB 3.22Å; S243-S246 PolarHBondContact O-N 3.39Å; S243-S246 PolarHBondContact O-OG 3.1Å; S243-S246 VanDerWaalsContact O-OG 3.13Å
244L96.9Very high94.5Very high0 Ų046 Ų460%027%0.265CS..G310 helixtrans-56.2-27.1175.2-73.9178.3000113.3L108 L111 I112 F194 L233 S246 L247L108-L244 HydrophobicContact CD1-CB 3.8Å; L108-L244 HydrophobicContact CD1-CD2 3.98Å; L108-L244 HydrophobicContact CD1-CG 4.31Å; L111-L244 HydrophobicContact CB-CD1 3.4Å; L111-L244 VanDerWaalsContact CB-CD1 3.4Å; L111-L244 HydrophobicContact CD1-CD1 3.77Å; L111-L244 HydrophobicContact CG-CD1 4.22Å; I112-L244 HydrophobicContact CD1-CB 4.31Å; I112-L244 HydrophobicContact CG1-CB 3.72Å; F194-L244 HydrophobicContact CD1-CD2 3.79Å; F194-L244 HydrophobicContact CE1-CD2 4.26Å; F194-L244 HydrophobicContact CG-CD2 4.27Å; L233-L244 HydrophobicContact CD1-CD2 3.61Å; L233-L244 HydrophobicContact CD2-CD2 4.21Å; L244-S246 PolarHBondContact O-N 2.93Å; L244-L247 VanDerWaalsContact O-CB 3.32Å; L244-L247 WeakPolarHBondContact O-CB 3.35Å; L244-L247 PolarHBondContact O-N 2.82Å
245S96.1Very high94.1Very high36 Ų3645.6 Ų45.625%0.25226%0.263SS..G310 helixtrans-62.8-20.2174.840.70000114E116 S243 L247 L248E116-S245 WeakPolarHBondContact OE1-CB 3.44Å; E116-S245 PolarHBondContact OE1-OG 2.95Å; S243-S245 PolarHBondContact O-N 2.99Å; S243-S245 VanDerWaalsContact O-N 3.1Å; S243-S245 PolarHBondContact OG-N 2.83Å; S243-S245 PolarHBondContact OG-OG 2.87Å; S245-L247 PolarHBondContact O-N 2.62Å; S245-L248 PolarHBondContact O-N 3.33Å
246S95.2Very high94Very high65 Ų6546.4 Ų46.446%0.45527%0.266SS..G310 helixtrans-72.2-13.3171.3850000113.6S243 L244 T249S243-S246 WeakPolarHBondContact O-CB 3.22Å; S243-S246 PolarHBondContact O-N 3.39Å; S243-S246 PolarHBondContact O-OG 3.1Å; S243-S246 VanDerWaalsContact O-OG 3.13Å; L244-S246 PolarHBondContact O-N 2.93Å; S246-T249 PolarHBondContact O-OG1 3.03Å
247L95.8Very high94Very high4 Ų441.8 Ų41.82%0.02123%0.234CC..G310 helixtrans-87.4-17.7179.5-156.673.9000112.2L108 F194 L225 T228 L229 L233 L244 S245 T249 H250 F253L108-L247 HydrophobicContact CD1-CB 4.29Å; L108-L247 HydrophobicContact CD1-CD2 4.18Å; L108-L247 HydrophobicContact CD2-CB 4.18Å; L108-L247 HydrophobicContact CD2-CD2 4.27Å; F194-L247 HydrophobicContact CE1-CD2 3.85Å; L225-L247 HydrophobicContact CD1-CD1 4.32Å; L225-L247 HydrophobicContact CD1-CD2 4.36Å; T228-L247 HydrophobicContact CG2-CD1 3.68Å; L229-L247 HydrophobicContact CD2-CD2 4.33Å; L233-L247 HydrophobicContact CD1-CD2 4.48Å; L244-L247 VanDerWaalsContact O-CB 3.32Å; L244-L247 WeakPolarHBondContact O-CB 3.35Å; L244-L247 PolarHBondContact O-N 2.82Å; S245-L247 PolarHBondContact O-N 2.62Å; L247-T249 PolarHBondContact O-N 3.19Å; L247-H250 HydrophobicContact CD1-CB 4.47Å; L247-H250 VanDerWaalsContact O-CB 3.31Å; L247-H250 WeakPolarHBondContact O-CB 3.37Å; L247-H250 PolarHBondContact O-N 3.41Å; L247-H250 VanDerWaalsContact O-N 3.08Å; L247-F253 HydrophobicContact CD2-CE2 3.88Å; L247-F253 HydrophobicContact CD2-CZ 4.38Å; L247-F253 HydrophobicContact CG-CE2 3.92Å; L247-F253 WeakPolarHBondContact O-CD2 3.37Å
248L93.6Very high93.9Very high53 Ų5338.5 Ų38.528%0.27722%0.216SC..THydrogen-bonded Turntrans-62.3-21178.5-68.7176.8000114Y105 L108 I112 S245Y105-L248 HydrophobicContact CD2-CD2 4.32Å; Y105-L248 HydrophobicContact CE2-CD2 3.69Å; L108-L248 HydrophobicContact CD2-CD2 3.72Å; L108-L248 HydrophobicContact CD2-CG 4.37Å; L108-L248 HydrophobicContact CG-CD2 4.11Å; I112-L248 HydrophobicContact CD1-CD1 3.71Å; I112-L248 HydrophobicContact CD1-CD2 4.02Å; I112-L248 HydrophobicContact CD1-CG 3.76Å; S245-L248 PolarHBondContact O-N 3.33Å
249T93.3Very high93.8Very high90 Ų9041.9 Ų41.955%0.55223%0.231SC*.THydrogen-bonded Turntrans-93.6-4178.454.60000113.5S246 L247 R254S246-T249 PolarHBondContact O-OG1 3.03Å; L247-T249 PolarHBondContact O-N 3.19Å; T249-R254 VanDerWaalsContact O-CZ 3.26Å; T249-R254 PolarHBondContact O-NH1 3.04Å
250H95.7Very high93.8Very high21 Ų2137.7 Ų37.710%0.09721%0.209CC..SBendtrans-71.9136.4177.3-173.4-86.6000110.4L221 S224 L225 T228 L247 F252 F253L221-H250 PolarHBondContact O-CE1 3.44Å; S224-H250 VanDerWaalsContact CB-CE1 3.43Å; S224-H250 WeakPolarHBondContact CB-CE1 3.26Å; S224-H250 VanDerWaalsContact CB-NE2 3.32Å; S224-H250 WeakPolarHBondContact CB-NE2 3.36Å; S224-H250 PolarHBondContact O-NE2 3.47Å; S224-H250 PolarHBondContact OG-NE2 3.17Å; L225-H250 WeakPolarHBondContact CA-CE1 3.48Å; L225-H250 WeakPolarHBondContact CB-CE1 3.44Å; L225-H250 PolarHBondContact N-CE1 3.2Å; L225-H250 PolarHBondContact N-NE2 3.16Å; T228-H250 PolarHBondContact OG1-CD2 2.65Å; T228-H250 VanDerWaalsContact OG1-CD2 3.31Å; T228-H250 PolarHBondContact OG1-NE2 3.22Å; L247-H250 HydrophobicContact CD1-CB 4.47Å; L247-H250 VanDerWaalsContact O-CB 3.31Å; L247-H250 WeakPolarHBondContact O-CB 3.37Å; L247-H250 PolarHBondContact O-N 3.41Å; L247-H250 VanDerWaalsContact O-N 3.08Å; H250-F252 WeakPolarHBondContact ND1-CB 3.41Å; H250-F252 PolarHBondContact ND1-N 2.62Å; H250-F252 PolarHBondContact O-N 3.21Å; H250-F253 HydrophobicContact CB-CD2 4.43Å; H250-F253 PolarHBondContact O-N 2.79Å
251D93.5Very high93.7Very high82 Ų8235 Ų3544%0.43919%0.189SC..G310 helixtrans-63.6-18.7-168.2-54.3-58000113.9Y216 L221 F253 R254Y216-D251 PolarHBondContact OH-O 3.35Å; L221-D251 HydrophobicContact CD1-CB 4.02Å; D251-F253 PolarHBondContact O-N 3.08Å; D251-F253 VanDerWaalsContact O-N 3.17Å; D251-R254 PolarHBondContact O-N 3.29Å; D251-R254 WeakPolarHBondContact OD1-CD 3.45Å; D251-R254 IonicContact OD1-CZ 3.03Å; D251-R254 IonicContact OD1-NE 2.81Å; D251-R254 IonicContact OD1-NH1 2.86Å; D251-R254 PolarHBondContact OD1-NH1 3.41Å
252F93.6Very high93.5Very high0 Ų036.9 Ų36.90%020%0.2CC..G310 helixtrans-56.4-26.6170.1-174-89.2000113.5C101 I104 L205 Y216 V217 L221 L225 H250C101-F252 HydrophobicContact CB-CE1 3.91Å; C101-F252 HydrophobicContact CB-CZ 4.03Å; C101-F252 PolarHBondContact SG-O 3.11Å; I104-F252 HydrophobicContact CD1-CE1 4.49Å; L205-F252 HydrophobicContact CD2-CE2 3.68Å; L205-F252 HydrophobicContact CD2-CZ 3.74Å; Y216-F252 PolarHBondContact OH-O 3.38Å; V217-F252 HydrophobicContact CG1-CD2 4.36Å; V217-F252 HydrophobicContact CG1-CE2 3.72Å; V217-F252 HydrophobicContact CG1-CZ 4.39Å; L221-F252 HydrophobicContact CD2-CD2 4.37Å; L221-F252 HydrophobicContact CG-CB 4.21Å; L221-F252 HydrophobicContact CG-CD2 4.08Å; L225-F252 HydrophobicContact CB-CB 4.39Å; L225-F252 HydrophobicContact CB-CD2 4.19Å; L225-F252 HydrophobicContact CB-CG 4.31Å; L225-F252 HydrophobicContact CD1-CB 4.48Å; L225-F252 HydrophobicContact CD2-CD1 3.8Å; L225-F252 HydrophobicContact CD2-CD2 3.91Å; L225-F252 HydrophobicContact CD2-CE1 3.85Å; L225-F252 HydrophobicContact CD2-CE2 3.96Å; L225-F252 HydrophobicContact CD2-CG 3.83Å; L225-F252 HydrophobicContact CD2-CZ 3.94Å; L225-F252 HydrophobicContact CG-CG 4.46Å; H250-F252 WeakPolarHBondContact ND1-CB 3.41Å; H250-F252 PolarHBondContact ND1-N 2.62Å; H250-F252 PolarHBondContact O-N 3.21Å
253F93.5Very high93.5Very high9 Ų936.1 Ų36.14%0.03919%0.192CC..G310 helixtrans-103.47.7178.8-58-68.7000113.3I104 Y105 L108 L225 L247 H250 D251 L258I104-F253 HydrophobicContact CB-CE1 4.33Å; I104-F253 HydrophobicContact CG2-CE1 3.88Å; I104-F253 HydrophobicContact CG2-CZ 3.77Å; Y105-F253 HydrophobicContact CD2-CB 3.89Å; Y105-F253 AromaticContact CD2-CD1 3.59Å; Y105-F253 HydrophobicContact CD2-CD1 3.59Å; Y105-F253 HydrophobicContact CD2-CE1 4.37Å; Y105-F253 AromaticContact CD2-CG 3.91Å; Y105-F253 HydrophobicContact CD2-CG 3.91Å; Y105-F253 HydrophobicContact CE2-CB 4.17Å; Y105-F253 HydrophobicContact CG-CD1 4.2Å; L108-F253 HydrophobicContact CD2-CD2 4.3Å; L108-F253 HydrophobicContact CD2-CE2 4.01Å; L108-F253 HydrophobicContact CD2-CZ 4.11Å; L225-F253 HydrophobicContact CD1-CE2 4.15Å; L247-F253 HydrophobicContact CD2-CE2 3.88Å; L247-F253 HydrophobicContact CD2-CZ 4.38Å; L247-F253 HydrophobicContact CG-CE2 3.92Å; L247-F253 WeakPolarHBondContact O-CD2 3.37Å; H250-F253 HydrophobicContact CB-CD2 4.43Å; H250-F253 PolarHBondContact O-N 2.79Å; D251-F253 PolarHBondContact O-N 3.08Å; D251-F253 VanDerWaalsContact O-N 3.17Å; F253-L258 HydrophobicContact CB-CD1 4.31Å; F253-L258 HydrophobicContact CD1-CD1 4.36Å; F253-L258 WeakPolarHBondContact O-CD1 3.34Å
254R89.9Confident93.4Very high128 Ų12835.6 Ų35.648%0.48319%0.186SC..  trans-104.593.9174.7-70.5175.4166.3159.6-6.3109.4Y216 T249 D251Y216-R254 PolarHBondContact OH-O 3.19Å; T249-R254 VanDerWaalsContact O-CZ 3.26Å; T249-R254 PolarHBondContact O-NH1 3.04Å; D251-R254 PolarHBondContact O-N 3.29Å; D251-R254 WeakPolarHBondContact OD1-CD 3.45Å; D251-R254 IonicContact OD1-CZ 3.03Å; D251-R254 IonicContact OD1-NE 2.81Å; D251-R254 IonicContact OD1-NH1 2.86Å; D251-R254 PolarHBondContact OD1-NH1 3.41Å
255N88.9Confident93.1Very high14 Ų1441 Ų418%0.07521%0.21CC..SBendtrans-149.4157.5178.256.673.2000112.3C101 Y216 F257 L258 E259C101-N255 PolarHBondContact SG-ND2 3.47Å; Y216-N255 HydrophobicContact CD1-CB 3.85Å; Y216-N255 HydrophobicContact CD2-CB 4.21Å; Y216-N255 HydrophobicContact CE1-CB 3.48Å; Y216-N255 VanDerWaalsContact CE1-CB 3.48Å; Y216-N255 HydrophobicContact CE2-CB 3.82Å; Y216-N255 HydrophobicContact CG-CB 4.22Å; Y216-N255 VanDerWaalsContact CZ-CB 3.46Å; N255-F257 VanDerWaalsContact C-N 3.27Å; N255-F257 PolarHBondContact O-N 3.09Å; N255-F257 PolarHBondContact OD1-N 3.4Å; N255-L258 PolarHBondContact O-N 3.37Å; N255-L258 WeakPolarHBondContact OD1-CB 3.5Å; N255-L258 WeakPolarHBondContact OD1-CG 3.4Å; N255-L258 PolarHBondContact OD1-N 2.98Å; N255-E259 WeakPolarHBondContact O-CB 3.43Å; N255-E259 PolarHBondContact O-N 2.9Å
256D90.9Very high92.9Very high50 Ų5041 Ų4127%0.26721%0.21SC..Hα-helixtrans-54.4-41.4-178.4-68.5-41.9000112.9E259 V260 R285 S288 L289D256-E259 PolarHBondContact O-N 3.32Å; D256-V260 WeakPolarHBondContact O-CB 3.41Å; D256-V260 WeakPolarHBondContact O-CG2 3.18Å; D256-V260 PolarHBondContact O-N 2.99Å; D256-R285 HydrophobicContact CB-CB 4.18Å; D256-R285 VanDerWaalsContact CB-O 3.26Å; D256-R285 WeakPolarHBondContact CB-O 3.43Å; D256-R285 IonicContact OD1-CZ 3.09Å; D256-R285 IonicContact OD1-NE 3.82Å; D256-R285 PolarHBondContact OD1-NE 3.38Å; D256-R285 IonicContact OD1-NH2 2.74Å; D256-R285 PolarHBondContact OD1-NH2 2.76Å; D256-S288 PolarHBondContact OD2-OG 2.89Å; D256-L289 HydrophobicContact CB-CD2 4.25Å
257F91.3Very high92.9Very high2 Ų238.3 Ų38.31%0.00919%0.19CC..Hα-helixtrans-61.4-50.6178.7175.8-96.8000112.4A102 N255 M261 L289 L293 R297 L298A102-F257 HydrophobicContact CB-CD1 4.06Å; A102-F257 HydrophobicContact CB-CE1 3.59Å; N255-F257 VanDerWaalsContact C-N 3.27Å; N255-F257 PolarHBondContact O-N 3.09Å; N255-F257 PolarHBondContact OD1-N 3.4Å; F257-M261 HydrophobicContact CD1-CG 4.49Å; F257-M261 HydrophobicContact CD2-CG 4.35Å; F257-M261 HydrophobicContact CE1-CG 4.02Å; F257-M261 HydrophobicContact CE2-CG 3.87Å; F257-M261 HydrophobicContact CE2-SD 4.49Å; F257-M261 HydrophobicContact CZ-CE 4.25Å; F257-M261 HydrophobicContact CZ-CG 3.69Å; F257-M261 HydrophobicContact CZ-SD 4.36Å; F257-M261 VanDerWaalsContact O-CB 3.27Å; F257-M261 WeakPolarHBondContact O-CB 3.2Å; F257-M261 WeakPolarHBondContact O-CG 3.34Å; F257-M261 PolarHBondContact O-N 2.93Å; F257-L289 HydrophobicContact CB-CD1 4.01Å; F257-L289 HydrophobicContact CB-CD2 4.03Å; F257-L289 HydrophobicContact CD2-CD1 4.4Å; F257-L293 HydrophobicContact CB-CD2 4.16Å; F257-L293 HydrophobicContact CD2-CD1 4.15Å; F257-L293 HydrophobicContact CD2-CD2 3.59Å; F257-L293 HydrophobicContact CD2-CG 3.76Å; F257-L293 HydrophobicContact CE2-CD1 3.88Å; F257-L293 HydrophobicContact CE2-CD2 4.18Å; F257-L293 HydrophobicContact CE2-CG 3.85Å; F257-L293 HydrophobicContact CG-CD2 3.84Å; F257-L293 HydrophobicContact CG-CG 4.42Å; F257-L293 HydrophobicContact CZ-CD1 4.14Å; F257-R297 HydrophobicContact CE2-CB 3.57Å; F257-R297 HydrophobicContact CE2-CG 4.29Å; F257-R297 HydrophobicContact CZ-CB 3.69Å; F257-R297 HydrophobicContact CZ-CG 4.09Å; F257-L298 HydrophobicContact CD2-CD1 4.28Å; F257-L298 HydrophobicContact CD2-CD2 3.73Å; F257-L298 HydrophobicContact CD2-CG 4Å; F257-L298 HydrophobicContact CE2-CD2 3.57Å; F257-L298 HydrophobicContact CE2-CG 3.91Å
258L91.7Very high92.8Very high4 Ų442.8 Ų42.82%0.02122%0.218CC..Hα-helixtrans-67.5-38.3179.4-75.6-179.2000112.1A102 Y105 F253 N255 N262A102-L258 HydrophobicContact CB-CD2 4.21Å; Y105-L258 HydrophobicContact CD1-CD1 4.35Å; Y105-L258 HydrophobicContact CD1-CD2 3.73Å; Y105-L258 HydrophobicContact CD2-CD1 3.94Å; Y105-L258 HydrophobicContact CE1-CD2 4.26Å; Y105-L258 HydrophobicContact CE2-CD1 4.44Å; Y105-L258 HydrophobicContact CG-CD1 3.86Å; Y105-L258 HydrophobicContact CG-CD2 3.99Å; F253-L258 HydrophobicContact CB-CD1 4.31Å; F253-L258 HydrophobicContact CD1-CD1 4.36Å; F253-L258 WeakPolarHBondContact O-CD1 3.34Å; N255-L258 PolarHBondContact O-N 3.37Å; N255-L258 WeakPolarHBondContact OD1-CB 3.5Å; N255-L258 WeakPolarHBondContact OD1-CG 3.4Å; N255-L258 PolarHBondContact OD1-N 2.98Å; L258-N262 WeakPolarHBondContact O-CB 3.22Å; L258-N262 PolarHBondContact O-N 3.39Å; L258-N262 PolarHBondContact O-ND2 3.28Å
259E92.3Very high92.9Very high85 Ų8547.4 Ų47.440%0.39724%0.242SC..Hα-helixtrans-68.3-46177.3-75.2-177.5-143.100112.3N255 D256 M261 N262 F263 R285N255-E259 WeakPolarHBondContact O-CB 3.43Å; N255-E259 PolarHBondContact O-N 2.9Å; D256-E259 PolarHBondContact O-N 3.32Å; E259-M261 PolarHBondContact O-N 3.27Å; E259-N262 PolarHBondContact O-N 2.93Å; E259-F263 WeakPolarHBondContact O-CB 3.48Å; E259-F263 PolarHBondContact O-N 2.81Å; E259-R285 VanDerWaalsContact CD-NH2 3.26Å; E259-R285 IonicContact OE1-NH2 3.14Å; E259-R285 IonicContact OE2-CZ 2.71Å; E259-R285 VanDerWaalsContact OE2-CZ 3.25Å; E259-R285 IonicContact OE2-NH1 3.53Å; E259-R285 PolarHBondContact OE2-NH1 3.47Å; E259-R285 IonicContact OE2-NH2 3.15Å; E259-R285 PolarHBondContact OE2-NH2 3.24Å
260V94.8Very high93Very high0 Ų046 Ų460%023%0.229CC..Hα-helixtrans-58.9-46.8173.1167.50000110.4D256 N262 F263 L264 F278 L282 R285 L298D256-V260 WeakPolarHBondContact O-CB 3.41Å; D256-V260 WeakPolarHBondContact O-CG2 3.18Å; D256-V260 PolarHBondContact O-N 2.99Å; V260-N262 PolarHBondContact O-N 2.69Å; V260-F263 PolarHBondContact O-N 3.34Å; V260-L264 HydrophobicContact CG1-CD1 3.81Å; V260-L264 HydrophobicContact CG1-CG 4.45Å; V260-L264 WeakPolarHBondContact O-CB 3.38Å; V260-L264 VanDerWaalsContact O-CG 3.23Å; V260-L264 WeakPolarHBondContact O-CG 3.49Å; V260-L264 PolarHBondContact O-N 2.99Å; V260-F278 HydrophobicContact CB-CZ 4.44Å; V260-F278 HydrophobicContact CG1-CZ 4.22Å; V260-F278 HydrophobicContact CG2-CE2 4.11Å; V260-F278 HydrophobicContact CG2-CZ 4.28Å; V260-L282 HydrophobicContact CB-CD1 4.4Å; V260-L282 HydrophobicContact CG1-CD1 3.89Å; V260-L282 HydrophobicContact CG2-CD1 3.56Å; V260-R285 HydrophobicContact CG2-CB 4.37Å; V260-L298 HydrophobicContact CG1-CD2 4Å
261M91.9Very high93.1Very high6 Ų647.2 Ų47.23%0.0324%0.242CC..Hα-helixtrans-63.1-38.6177.2-76.2-72.2-83.800112.7F257 E259 K265 L298 K301F257-M261 HydrophobicContact CD1-CG 4.49Å; F257-M261 HydrophobicContact CD2-CG 4.35Å; F257-M261 HydrophobicContact CE1-CG 4.02Å; F257-M261 HydrophobicContact CE2-CG 3.87Å; F257-M261 HydrophobicContact CE2-SD 4.49Å; F257-M261 HydrophobicContact CZ-CE 4.25Å; F257-M261 HydrophobicContact CZ-CG 3.69Å; F257-M261 HydrophobicContact CZ-SD 4.36Å; F257-M261 VanDerWaalsContact O-CB 3.27Å; F257-M261 WeakPolarHBondContact O-CB 3.2Å; F257-M261 WeakPolarHBondContact O-CG 3.34Å; F257-M261 PolarHBondContact O-N 2.93Å; E259-M261 PolarHBondContact O-N 3.27Å; M261-K265 WeakPolarHBondContact O-CB 3.37Å; M261-K265 WeakPolarHBondContact O-CG 3.29Å; M261-K265 PolarHBondContact O-N 2.85Å; M261-L298 HydrophobicContact CG-CD2 3.73Å; M261-L298 HydrophobicContact SD-CD2 3.74Å; M261-K301 HydrophobicContact CE-CG 4.38Å; M261-K301 HydrophobicContact SD-CG 3.95Å
262N92.3Very high93.2Very high46 Ų4649.3 Ų49.325%0.24625%0.249CC..Hα-helixtrans-76-33179.6-72.2-22.8000112.9Y105 L258 E259 V260 K265 S266Y105-N262 PolarHBondContact OH-ND2 3.37Å; L258-N262 WeakPolarHBondContact O-CB 3.22Å; L258-N262 PolarHBondContact O-N 3.39Å; L258-N262 PolarHBondContact O-ND2 3.28Å; E259-N262 PolarHBondContact O-N 2.93Å; V260-N262 PolarHBondContact O-N 2.69Å; N262-K265 PolarHBondContact OD1-NZ 3.45Å; N262-S266 PolarHBondContact O-N 3.42Å; N262-S266 PolarHBondContact O-OG 3.28Å
263F95.5Very high93.3Very high28 Ų2856 Ų5612%0.12328%0.28CS..Hα-helixtrans-64.3-49.1169.5-165.2-80.8000110.5E259 V260 K265 S266 L267 K270 E274 K275 F278E259-F263 WeakPolarHBondContact O-CB 3.48Å; E259-F263 PolarHBondContact O-N 2.81Å; V260-F263 PolarHBondContact O-N 3.34Å; F263-K265 VanDerWaalsContact C-N 3.33Å; F263-K265 PolarHBondContact O-N 3.1Å; F263-S266 CarbonylContact O-C 3.27Å; F263-S266 PolarHBondContact O-N 2.89Å; F263-S266 PolarHBondContact O-OG 2.92Å; F263-L267 HydrophobicContact CD1-CD1 4.29Å; F263-L267 HydrophobicContact CE1-CD1 3.78Å; F263-L267 PolarHBondContact O-N 3.47Å; F263-K270 HydrophobicContact CD2-CD 4.34Å; F263-K270 HydrophobicContact CD2-CG 4.46Å; F263-K270 HydrophobicContact CE1-CG 4.16Å; F263-K270 HydrophobicContact CE2-CD 3.77Å; F263-K270 HydrophobicContact CE2-CG 3.92Å; F263-K270 HydrophobicContact CZ-CB 4.09Å; F263-K270 HydrophobicContact CZ-CD 4.07Å; F263-K270 HydrophobicContact CZ-CG 3.75Å; F263-E274 HydrophobicContact CE2-CB 4.31Å; F263-E274 HydrophobicContact CZ-CB 4.32Å; F263-K275 HydrophobicContact CZ-CG 4.42Å; F263-F278 HydrophobicContact CB-CD2 4.04Å; F263-F278 HydrophobicContact CB-CE2 3.57Å; F263-F278 HydrophobicContact CB-CZ 3.86Å; F263-F278 HydrophobicContact CD1-CB 4.28Å; F263-F278 AromaticContact CD1-CD1 3.44Å; F263-F278 HydrophobicContact CD1-CD1 3.44Å; F263-F278 VanDerWaalsContact CD1-CD1 3.44Å; F263-F278 AromaticContact CD1-CD2 3.72Å; F263-F278 HydrophobicContact CD1-CD2 3.72Å; F263-F278 AromaticContact CD1-CE1 3.5Å; F263-F278 HydrophobicContact CD1-CE1 3.5Å; F263-F278 VanDerWaalsContact CD1-CE1 3.5Å; F263-F278 AromaticContact CD1-CE2 3.78Å; F263-F278 HydrophobicContact CD1-CE2 3.78Å; F263-F278 AromaticContact CD1-CG 3.54Å; F263-F278 HydrophobicContact CD1-CG 3.54Å; F263-F278 AromaticContact CD1-CZ 3.66Å; F263-F278 HydrophobicContact CD1-CZ 3.66Å; F263-F278 HydrophobicContact CD2-CB 4.35Å; F263-F278 AromaticContact CD2-CD2 3.77Å; F263-F278 HydrophobicContact CD2-CD2 3.77Å; F263-F278 HydrophobicContact CD2-CE2 4.21Å; F263-F278 HydrophobicContact CD2-CG 4.07Å; F263-F278 HydrophobicContact CE1-CB 3.75Å; F263-F278 AromaticContact CE1-CD1 3.4Å; F263-F278 HydrophobicContact CE1-CD1 3.4Å; F263-F278 VanDerWaalsContact CE1-CD1 3.4Å; F263-F278 HydrophobicContact CE1-CD2 4.09Å; F263-F278 AromaticContact CE1-CE1 3.94Å; F263-F278 HydrophobicContact CE1-CE1 3.94Å; F263-F278 AromaticContact CE1-CG 3.47Å; F263-F278 HydrophobicContact CE1-CG 3.47Å; F263-F278 VanDerWaalsContact CE1-CG 3.47Å; F263-F278 HydrophobicContact CE1-CZ 4.47Å; F263-F278 HydrophobicContact CE2-CB 3.83Å; F263-F278 HydrophobicContact CE2-CD2 4.13Å; F263-F278 HydrophobicContact CE2-CG 4.01Å; F263-F278 HydrophobicContact CG-CD1 4.17Å; F263-F278 AromaticContact CG-CD2 3.55Å; F263-F278 HydrophobicContact CG-CD2 3.55Å; F263-F278 HydrophobicContact CG-CE1 4.19Å; F263-F278 AromaticContact CG-CE2 3.59Å; F263-F278 HydrophobicContact CG-CE2 3.59Å; F263-F278 AromaticContact CG-CG 3.85Å; F263-F278 HydrophobicContact CG-CG 3.85Å; F263-F278 AromaticContact CG-CZ 3.9Å; F263-F278 HydrophobicContact CG-CZ 3.9Å; F263-F278 HydrophobicContact CZ-CB 3.5Å; F263-F278 HydrophobicContact CZ-CD1 4.11Å; F263-F278 HydrophobicContact CZ-CD2 4.28Å; F263-F278 AromaticContact CZ-CG 3.72Å; F263-F278 HydrophobicContact CZ-CG 3.72Å
264L94.4Very high93.5Very high24 Ų2459.1 Ų59.113%0.12630%0.295CS..Hα-helixtrans-62.2-35.5178.3-68.3171.4000113V260 S266 F278 K301 L302 V307V260-L264 HydrophobicContact CG1-CD1 3.81Å; V260-L264 HydrophobicContact CG1-CG 4.45Å; V260-L264 WeakPolarHBondContact O-CB 3.38Å; V260-L264 VanDerWaalsContact O-CG 3.23Å; V260-L264 WeakPolarHBondContact O-CG 3.49Å; V260-L264 PolarHBondContact O-N 2.99Å; L264-S266 PolarHBondContact O-N 3.47Å; L264-F278 HydrophobicContact CD2-CE1 4.27Å; L264-F278 HydrophobicContact CG-CZ 4.41Å; L264-K301 HydrophobicContact CD1-CB 4.04Å; L264-L302 HydrophobicContact CD1-CD2 3.69Å; L264-L302 HydrophobicContact CD1-CG 4.05Å; L264-L302 HydrophobicContact CD2-CD2 4.09Å; L264-V307 HydrophobicContact CD2-CG2 4.1Å
265K90.8Very high93.8Very high113 Ų11354.7 Ų54.749%0.49128%0.279SS..Hα-helixtrans-61-24.1171.4-76.4169-159.6168.20113.6M261 N262 F263M261-K265 WeakPolarHBondContact O-CB 3.37Å; M261-K265 WeakPolarHBondContact O-CG 3.29Å; M261-K265 PolarHBondContact O-N 2.85Å; N262-K265 PolarHBondContact OD1-NZ 3.45Å; F263-K265 VanDerWaalsContact C-N 3.33Å; F263-K265 PolarHBondContact O-N 3.1Å
266S92.9Very high94.2Very high36 Ų3656.2 Ų56.225%0.25229%0.287SS..Hα-helixtrans-118.29.3-174.455.80000113.8N262 F263 L264 T268 L269N262-S266 PolarHBondContact O-N 3.42Å; N262-S266 PolarHBondContact O-OG 3.28Å; F263-S266 CarbonylContact O-C 3.27Å; F263-S266 PolarHBondContact O-N 2.89Å; F263-S266 PolarHBondContact O-OG 2.92Å; L264-S266 PolarHBondContact O-N 3.47Å; S266-T268 VanDerWaalsContact C-N 3.25Å; S266-T268 PolarHBondContact O-N 2.87Å; S266-L269 WeakPolarHBondContact O-CA 3.5Å; S266-L269 WeakPolarHBondContact O-CB 3.48Å; S266-L269 PolarHBondContact O-N 3Å
267L94.6Very high94.5Very high9 Ų960 Ų605%0.04730%0.303CS..G310 helixtrans-52.6-35.3-170.2179.763.5000114.7F263 L269 K270 K275 F279 M306 V307F263-L267 HydrophobicContact CD1-CD1 4.29Å; F263-L267 HydrophobicContact CE1-CD1 3.78Å; F263-L267 PolarHBondContact O-N 3.47Å; L267-L269 VanDerWaalsContact C-N 3.26Å; L267-L269 PolarHBondContact O-N 3.19Å; L267-K270 PolarHBondContact O-N 2.86Å; L267-K275 HydrophobicContact CD1-CG 4.08Å; L267-K275 WeakPolarHBondContact O-CE 3.43Å; L267-F279 HydrophobicContact CD1-CE2 3.83Å; L267-F279 HydrophobicContact CD1-CZ 3.87Å; L267-F279 HydrophobicContact CD2-CZ 4.34Å; L267-M306 HydrophobicContact CD2-CB 4.14Å; L267-V307 HydrophobicContact CD2-CG2 3.82Å
268T92.8Very high94.8Very high99 Ų9960.7 Ų60.761%0.60731%0.306SS*.G310 helixtrans-75.7-12178.952.50000114.2S266 M306S266-T268 VanDerWaalsContact C-N 3.25Å; S266-T268 PolarHBondContact O-N 2.87Å; T268-M306 HydrophobicContact CG2-CE 4.22Å
269L95.7Very high95Very high149 Ų14960.6 Ų60.678%0.7831%0.306SS*.G310 helixtrans-104.43.2178.7-52.8177.7000112.3S266 L267S266-L269 WeakPolarHBondContact O-CA 3.5Å; S266-L269 WeakPolarHBondContact O-CB 3.48Å; S266-L269 PolarHBondContact O-N 3Å; L267-L269 VanDerWaalsContact C-N 3.26Å; L267-L269 PolarHBondContact O-N 3.19Å
270K96.5Very high95.2Very high62 Ų6262.3 Ų62.327%0.2731%0.312SS..SBendtrans-93142.3-177.7-72.2-67.8-174-175.40112.1F263 L267 E274 K275F263-K270 HydrophobicContact CD2-CD 4.34Å; F263-K270 HydrophobicContact CD2-CG 4.46Å; F263-K270 HydrophobicContact CE1-CG 4.16Å; F263-K270 HydrophobicContact CE2-CD 3.77Å; F263-K270 HydrophobicContact CE2-CG 3.92Å; F263-K270 HydrophobicContact CZ-CB 4.09Å; F263-K270 HydrophobicContact CZ-CD 4.07Å; F263-K270 HydrophobicContact CZ-CG 3.75Å; L267-K270 PolarHBondContact O-N 2.86Å; K270-E274 HydrophobicContact CB-CB 4.47Å; K270-E274 HydrophobicContact CD-CB 4.27Å; K270-E274 VanDerWaalsContact CD-CD 3.41Å; K270-E274 VanDerWaalsContact CD-OE1 3.3Å; K270-E274 WeakPolarHBondContact CD-OE1 3.49Å; K270-E274 WeakPolarHBondContact CD-OE2 3.26Å; K270-E274 IonicContact NZ-OE1 3.83Å; K270-E274 PolarHBondContact NZ-OE1 3.25Å; K270-E274 IonicContact NZ-OE2 2.71Å; K270-K275 HydrophobicContact CB-CG 3.97Å; K270-K275 VanDerWaalsContact O-CE 3.27Å; K270-K275 WeakPolarHBondContact O-CE 3.43Å
271A96.9Very high95.2Very high45 Ų4566.4 Ų66.437%0.37233%0.33SS..  trans-66.5158.9174.600000111.4E273 E274 K275A271-E273 VanDerWaalsContact C-N 3.26Å; A271-E273 PolarHBondContact O-N 3.2Å; A271-E274 HydrophobicContact CB-CG 4.19Å; A271-E274 PolarHBondContact N-OE2 3.48Å; A271-E274 PolarHBondContact O-N 3.44Å; A271-K275 WeakPolarHBondContact O-CD 3.49Å; A271-K275 VanDerWaalsContact O-CG 3.29Å; A271-K275 WeakPolarHBondContact O-CG 3.32Å; A271-K275 PolarHBondContact O-N 3.43Å
272E96.2Very high95.4Very high126 Ų12666.1 Ų66.159%0.58933%0.329SS*.Hα-helixtrans-65.5-33.5-178-151.2-162.3124.400111.6K275 N276E272-K275 PolarHBondContact O-N 2.84Å; E272-N276 VanDerWaalsContact O-CB 3.28Å; E272-N276 WeakPolarHBondContact O-CB 3.21Å; E272-N276 PolarHBondContact O-N 2.64Å; E272-N276 PolarHBondContact O-ND2 2.65Å; E272-N276 PolarHBondContact OE1-ND2 2.77Å
273E96.6Very high95.5Very high140 Ų14064.7 Ų64.765%0.65432%0.321SS*.Hα-helixtrans-64.5-48175.6-60.573.7-164.300111A271 K275 N276 E277A271-E273 VanDerWaalsContact C-N 3.26Å; A271-E273 PolarHBondContact O-N 3.2Å; E273-K275 VanDerWaalsContact C-N 3.31Å; E273-K275 PolarHBondContact O-N 2.83Å; E273-N276 PolarHBondContact O-N 2.94Å; E273-E277 PolarHBondContact O-N 2.94Å
274E96.7Very high95.3Very high76 Ų7667.5 Ų67.536%0.35534%0.337SS..Hα-helixtrans-59.9-42.1176.4-67.2-17698.100111.6F263 K270 A271 F278F263-E274 HydrophobicContact CE2-CB 4.31Å; F263-E274 HydrophobicContact CZ-CB 4.32Å; K270-E274 HydrophobicContact CB-CB 4.47Å; K270-E274 HydrophobicContact CD-CB 4.27Å; K270-E274 VanDerWaalsContact CD-CD 3.41Å; K270-E274 VanDerWaalsContact CD-OE1 3.3Å; K270-E274 WeakPolarHBondContact CD-OE1 3.49Å; K270-E274 WeakPolarHBondContact CD-OE2 3.26Å; K270-E274 IonicContact NZ-OE1 3.83Å; K270-E274 PolarHBondContact NZ-OE1 3.25Å; K270-E274 IonicContact NZ-OE2 2.71Å; A271-E274 HydrophobicContact CB-CG 4.19Å; A271-E274 PolarHBondContact N-OE2 3.48Å; A271-E274 PolarHBondContact O-N 3.44Å; E274-F278 WeakPolarHBondContact O-CB 3.47Å; E274-F278 PolarHBondContact O-N 3.17Å
275K96.8Very high95.2Very high34 Ų3469.2 Ų69.215%0.14834%0.342CS..Hα-helixtrans-65.2-47.1176.9-70.4161.4161.9-157.40111.4F263 L267 K270 A271 E272 E273 E277 F278 F279 E310F263-K275 HydrophobicContact CZ-CG 4.42Å; L267-K275 HydrophobicContact CD1-CG 4.08Å; L267-K275 WeakPolarHBondContact O-CE 3.43Å; K270-K275 HydrophobicContact CB-CG 3.97Å; K270-K275 VanDerWaalsContact O-CE 3.27Å; K270-K275 WeakPolarHBondContact O-CE 3.43Å; A271-K275 WeakPolarHBondContact O-CD 3.49Å; A271-K275 VanDerWaalsContact O-CG 3.29Å; A271-K275 WeakPolarHBondContact O-CG 3.32Å; A271-K275 PolarHBondContact O-N 3.43Å; E272-K275 PolarHBondContact O-N 2.84Å; E273-K275 VanDerWaalsContact C-N 3.31Å; E273-K275 PolarHBondContact O-N 2.83Å; K275-E277 PolarHBondContact O-N 3.49Å; K275-F278 PolarHBondContact O-N 2.9Å; K275-F279 HydrophobicContact CB-CD2 4.38Å; K275-F279 HydrophobicContact CB-CE2 4.42Å; K275-F279 WeakPolarHBondContact O-CD2 3.45Å; K275-F279 PolarHBondContact O-N 3.35Å; K275-E310 WeakPolarHBondContact CD-OE1 3.25Å; K275-E310 WeakPolarHBondContact CE-OE1 3.36Å; K275-E310 IonicContact NZ-OE1 3.94Å; K275-E310 PolarHBondContact NZ-OE1 3.1Å
276N96.7Very high95.2Very high46 Ų4663.8 Ų63.825%0.24632%0.318CS..Hα-helixtrans-62.6-40.9179.4-83.7-56.3000111.7E272 E273 K280 T312E272-N276 VanDerWaalsContact O-CB 3.28Å; E272-N276 WeakPolarHBondContact O-CB 3.21Å; E272-N276 PolarHBondContact O-N 2.64Å; E272-N276 PolarHBondContact O-ND2 2.65Å; E272-N276 PolarHBondContact OE1-ND2 2.77Å; E273-N276 PolarHBondContact O-N 2.94Å; N276-K280 WeakPolarHBondContact O-CB 3.2Å; N276-K280 PolarHBondContact O-N 3.46Å; N276-T312 WeakPolarHBondContact OD1-CB 3.27Å; N276-T312 PolarHBondContact OD1-OG1 3.47Å
277E96.8Very high95.1Very high129 Ų12966.5 Ų66.560%0.60333%0.327SS*.Hα-helixtrans-67.2-47.3173.6-176.9163.4-133.900111.9E273 K275 F279 K280 F281E273-E277 PolarHBondContact O-N 2.94Å; K275-E277 PolarHBondContact O-N 3.49Å; E277-F279 PolarHBondContact O-N 3.17Å; E277-K280 WeakPolarHBondContact O-CB 3.45Å; E277-K280 PolarHBondContact O-N 2.71Å; E277-F281 HydrophobicContact CG-CD2 4.01Å; E277-F281 HydrophobicContact CG-CE2 4.08Å; E277-F281 WeakPolarHBondContact O-CD2 3.47Å; E277-F281 PolarHBondContact O-N 2.88Å
278F97.3Very high94.6Very high18 Ų1869 Ų698%0.07935%0.345CS..Hα-helixtrans-56-54.6178.1175.1-101.4000112.1V260 F263 L264 E274 K275 K280 F281 L282V260-F278 HydrophobicContact CB-CZ 4.44Å; V260-F278 HydrophobicContact CG1-CZ 4.22Å; V260-F278 HydrophobicContact CG2-CE2 4.11Å; V260-F278 HydrophobicContact CG2-CZ 4.28Å; F263-F278 HydrophobicContact CB-CD2 4.04Å; F263-F278 HydrophobicContact CB-CE2 3.57Å; F263-F278 HydrophobicContact CB-CZ 3.86Å; F263-F278 HydrophobicContact CD1-CB 4.28Å; F263-F278 AromaticContact CD1-CD1 3.44Å; F263-F278 HydrophobicContact CD1-CD1 3.44Å; F263-F278 VanDerWaalsContact CD1-CD1 3.44Å; F263-F278 AromaticContact CD1-CD2 3.72Å; F263-F278 HydrophobicContact CD1-CD2 3.72Å; F263-F278 AromaticContact CD1-CE1 3.5Å; F263-F278 HydrophobicContact CD1-CE1 3.5Å; F263-F278 VanDerWaalsContact CD1-CE1 3.5Å; F263-F278 AromaticContact CD1-CE2 3.78Å; F263-F278 HydrophobicContact CD1-CE2 3.78Å; F263-F278 AromaticContact CD1-CG 3.54Å; F263-F278 HydrophobicContact CD1-CG 3.54Å; F263-F278 AromaticContact CD1-CZ 3.66Å; F263-F278 HydrophobicContact CD1-CZ 3.66Å; F263-F278 HydrophobicContact CD2-CB 4.35Å; F263-F278 AromaticContact CD2-CD2 3.77Å; F263-F278 HydrophobicContact CD2-CD2 3.77Å; F263-F278 HydrophobicContact CD2-CE2 4.21Å; F263-F278 HydrophobicContact CD2-CG 4.07Å; F263-F278 HydrophobicContact CE1-CB 3.75Å; F263-F278 AromaticContact CE1-CD1 3.4Å; F263-F278 HydrophobicContact CE1-CD1 3.4Å; F263-F278 VanDerWaalsContact CE1-CD1 3.4Å; F263-F278 HydrophobicContact CE1-CD2 4.09Å; F263-F278 AromaticContact CE1-CE1 3.94Å; F263-F278 HydrophobicContact CE1-CE1 3.94Å; F263-F278 AromaticContact CE1-CG 3.47Å; F263-F278 HydrophobicContact CE1-CG 3.47Å; F263-F278 VanDerWaalsContact CE1-CG 3.47Å; F263-F278 HydrophobicContact CE1-CZ 4.47Å; F263-F278 HydrophobicContact CE2-CB 3.83Å; F263-F278 HydrophobicContact CE2-CD2 4.13Å; F263-F278 HydrophobicContact CE2-CG 4.01Å; F263-F278 HydrophobicContact CG-CD1 4.17Å; F263-F278 AromaticContact CG-CD2 3.55Å; F263-F278 HydrophobicContact CG-CD2 3.55Å; F263-F278 HydrophobicContact CG-CE1 4.19Å; F263-F278 AromaticContact CG-CE2 3.59Å; F263-F278 HydrophobicContact CG-CE2 3.59Å; F263-F278 AromaticContact CG-CG 3.85Å; F263-F278 HydrophobicContact CG-CG 3.85Å; F263-F278 AromaticContact CG-CZ 3.9Å; F263-F278 HydrophobicContact CG-CZ 3.9Å; F263-F278 HydrophobicContact CZ-CB 3.5Å; F263-F278 HydrophobicContact CZ-CD1 4.11Å; F263-F278 HydrophobicContact CZ-CD2 4.28Å; F263-F278 AromaticContact CZ-CG 3.72Å; F263-F278 HydrophobicContact CZ-CG 3.72Å; L264-F278 HydrophobicContact CD2-CE1 4.27Å; L264-F278 HydrophobicContact CG-CZ 4.41Å; E274-F278 WeakPolarHBondContact O-CB 3.47Å; E274-F278 PolarHBondContact O-N 3.17Å; K275-F278 PolarHBondContact O-N 2.9Å; F278-K280 VanDerWaalsContact C-N 3.28Å; F278-K280 PolarHBondContact O-N 2.72Å; F278-F281 PolarHBondContact O-N 2.74Å; F278-L282 HydrophobicContact CE1-CD1 4.08Å; F278-L282 HydrophobicContact CE1-CD2 3.96Å; F278-L282 HydrophobicContact CE2-CD1 4.14Å; F278-L282 HydrophobicContact CZ-CD1 3.68Å; F278-L282 HydrophobicContact CZ-CD2 4.37Å; F278-L282 WeakPolarHBondContact O-CA 3.16Å; F278-L282 VanDerWaalsContact O-CB 3.32Å; F278-L282 WeakPolarHBondContact O-CB 3.4Å; F278-L282 PolarHBondContact O-N 3.3Å
279F97.4Very high94.3Very high1 Ų165.1 Ų65.10%0.00432%0.321CS..Hα-helixtrans-71.5-20.2-177.3-71-62.4000114.2L267 K275 E277 L282 V307 E310 T312 A313L267-F279 HydrophobicContact CD1-CE2 3.83Å; L267-F279 HydrophobicContact CD1-CZ 3.87Å; L267-F279 HydrophobicContact CD2-CZ 4.34Å; K275-F279 HydrophobicContact CB-CD2 4.38Å; K275-F279 HydrophobicContact CB-CE2 4.42Å; K275-F279 WeakPolarHBondContact O-CD2 3.45Å; K275-F279 PolarHBondContact O-N 3.35Å; E277-F279 PolarHBondContact O-N 3.17Å; F279-L282 HydrophobicContact CD1-CD2 3.67Å; F279-L282 HydrophobicContact CE1-CD2 3.94Å; F279-V307 HydrophobicContact CE1-CG1 3.96Å; F279-V307 HydrophobicContact CE1-CG2 4.38Å; F279-V307 HydrophobicContact CZ-CG1 4.3Å; F279-V307 HydrophobicContact CZ-CG2 4.17Å; F279-E310 HydrophobicContact CD2-CB 4.02Å; F279-E310 HydrophobicContact CD2-CG 4.3Å; F279-E310 HydrophobicContact CE2-CB 3.8Å; F279-E310 HydrophobicContact CE2-CG 3.64Å; F279-E310 HydrophobicContact CZ-CB 4.48Å; F279-E310 HydrophobicContact CZ-CG 4.26Å; F279-T312 HydrophobicContact CB-CG2 4.1Å; F279-A313 HydrophobicContact CB-CB 4.11Å; F279-A313 HydrophobicContact CD1-CB 3.5Å; F279-A313 VanDerWaalsContact CD1-CB 3.5Å; F279-A313 HydrophobicContact CD2-CB 4.05Å; F279-A313 HydrophobicContact CE1-CB 3.86Å; F279-A313 HydrophobicContact CE2-CB 4.39Å; F279-A313 HydrophobicContact CG-CB 3.62Å; F279-A313 HydrophobicContact CZ-CB 4.3Å
280K95.6Very high93.9Very high122 Ų12259.9 Ų59.953%0.5330%0.296SS..Hα-helixtrans-68.3-41172.8174.2-173.5171.9-167.10111.8N276 E277 F278 T312N276-K280 WeakPolarHBondContact O-CB 3.2Å; N276-K280 PolarHBondContact O-N 3.46Å; E277-K280 WeakPolarHBondContact O-CB 3.45Å; E277-K280 PolarHBondContact O-N 2.71Å; F278-K280 VanDerWaalsContact C-N 3.28Å; F278-K280 PolarHBondContact O-N 2.72Å; K280-T312 HydrophobicContact CB-CG2 4.19Å
281F95.1Very high93.4Very high86 Ų8660.4 Ų60.438%0.37730%0.299SS..Hα-helixtrans-102.4-2.1-177.7-62.1-65.3000113.9E277 F278 L283 D284 R285E277-F281 HydrophobicContact CG-CD2 4.01Å; E277-F281 HydrophobicContact CG-CE2 4.08Å; E277-F281 WeakPolarHBondContact O-CD2 3.47Å; E277-F281 PolarHBondContact O-N 2.88Å; F278-F281 PolarHBondContact O-N 2.74Å; F281-L283 PolarHBondContact O-N 3.34Å; F281-L283 VanDerWaalsContact O-N 3.13Å; F281-D284 WeakPolarHBondContact O-CB 3.34Å; F281-D284 PolarHBondContact O-N 3.49Å; F281-D284 VanDerWaalsContact O-N 3.11Å; F281-R285 WeakPolarHBondContact O-CG 3.15Å; F281-R285 PolarHBondContact O-N 2.91Å
282L96Very high92.9Very high0 Ų061.6 Ų61.60%030%0.297CS..Hα-helixtrans-56.8-31.6-177.4-178.660.1000113.3V260 F278 F279 R285 V286 L302 F317V260-L282 HydrophobicContact CB-CD1 4.4Å; V260-L282 HydrophobicContact CG1-CD1 3.89Å; V260-L282 HydrophobicContact CG2-CD1 3.56Å; F278-L282 HydrophobicContact CE1-CD1 4.08Å; F278-L282 HydrophobicContact CE1-CD2 3.96Å; F278-L282 HydrophobicContact CE2-CD1 4.14Å; F278-L282 HydrophobicContact CZ-CD1 3.68Å; F278-L282 HydrophobicContact CZ-CD2 4.37Å; F278-L282 WeakPolarHBondContact O-CA 3.16Å; F278-L282 VanDerWaalsContact O-CB 3.32Å; F278-L282 WeakPolarHBondContact O-CB 3.4Å; F278-L282 PolarHBondContact O-N 3.3Å; F279-L282 HydrophobicContact CD1-CD2 3.67Å; F279-L282 HydrophobicContact CE1-CD2 3.94Å; L282-R285 PolarHBondContact O-N 3.29Å; L282-V286 HydrophobicContact CD1-CG2 3.67Å; L282-V286 HydrophobicContact CG-CG2 4.09Å; L282-V286 WeakPolarHBondContact O-CB 3.13Å; L282-V286 WeakPolarHBondContact O-CG2 3.41Å; L282-V286 PolarHBondContact O-N 2.89Å; L282-L302 HydrophobicContact CD2-CD2 3.84Å; L282-F317 HydrophobicContact CB-CD2 4.02Å; L282-F317 HydrophobicContact CB-CE2 4.46Å; L282-F317 HydrophobicContact CB-CG 4.38Å; L282-F317 HydrophobicContact CD2-CD1 3.71Å; L282-F317 HydrophobicContact CD2-CD2 3.88Å; L282-F317 HydrophobicContact CD2-CE1 3.82Å; L282-F317 HydrophobicContact CD2-CE2 4Å; L282-F317 HydrophobicContact CD2-CG 3.74Å; L282-F317 HydrophobicContact CD2-CZ 3.98Å; L282-F317 HydrophobicContact CG-CD1 4.47Å; L282-F317 HydrophobicContact CG-CD2 3.74Å; L282-F317 HydrophobicContact CG-CE1 4.46Å; L282-F317 HydrophobicContact CG-CE2 3.75Å; L282-F317 HydrophobicContact CG-CG 4.12Å; L282-F317 HydrophobicContact CG-CZ 4.13Å
283L94Very high92.5Very high15 Ų1555.6 Ų55.68%0.07927%0.269CS..Hα-helixtrans-63.3-47.9177.3-173.162.8000111.4F281 R285 V286 Q287 F317 H320 E333 L335F281-L283 PolarHBondContact O-N 3.34Å; F281-L283 VanDerWaalsContact O-N 3.13Å; L283-R285 PolarHBondContact O-N 3.3Å; L283-V286 PolarHBondContact O-N 3.19Å; L283-V286 VanDerWaalsContact O-N 3.1Å; L283-Q287 WeakPolarHBondContact O-CG 3.35Å; L283-Q287 PolarHBondContact O-N 3.46Å; L283-F317 HydrophobicContact CB-CD2 4.27Å; L283-F317 HydrophobicContact CD1-CD2 4.43Å; L283-F317 HydrophobicContact CD1-CE2 4.45Å; L283-H320 HydrophobicContact CD1-CB 3.65Å; L283-H320 HydrophobicContact CD2-CB 4.43Å; L283-E333 HydrophobicContact CD2-CB 4.22Å; L283-E333 VanDerWaalsContact CD2-OE2 3.27Å; L283-E333 WeakPolarHBondContact CD2-OE2 3.12Å; L283-L335 HydrophobicContact CD1-CD1 4.11Å; L283-L335 HydrophobicContact CD1-CD2 4Å; L283-L335 HydrophobicContact CD1-CG 4.12Å
284D92.3Very high92.3Very high87 Ų8749.1 Ų49.147%0.46524%0.239SC..Hα-helixtrans-57.5-38.8178.1-59.2-59.1000112.2F281F281-D284 WeakPolarHBondContact O-CB 3.34Å; F281-D284 PolarHBondContact O-N 3.49Å; F281-D284 VanDerWaalsContact O-N 3.11Å
285R91.6Very high92.1Very high60 Ų6045.5 Ų45.523%0.22622%0.222CC..Hα-helixtrans-77.7-20.9179.6-56.8-165.372.8166.111.2114.2D256 E259 V260 F281 L282 L283 S288D256-R285 HydrophobicContact CB-CB 4.18Å; D256-R285 VanDerWaalsContact CB-O 3.26Å; D256-R285 WeakPolarHBondContact CB-O 3.43Å; D256-R285 IonicContact OD1-CZ 3.09Å; D256-R285 IonicContact OD1-NE 3.82Å; D256-R285 PolarHBondContact OD1-NE 3.38Å; D256-R285 IonicContact OD1-NH2 2.74Å; D256-R285 PolarHBondContact OD1-NH2 2.76Å; E259-R285 VanDerWaalsContact CD-NH2 3.26Å; E259-R285 IonicContact OE1-NH2 3.14Å; E259-R285 IonicContact OE2-CZ 2.71Å; E259-R285 VanDerWaalsContact OE2-CZ 3.25Å; E259-R285 IonicContact OE2-NH1 3.53Å; E259-R285 PolarHBondContact OE2-NH1 3.47Å; E259-R285 IonicContact OE2-NH2 3.15Å; E259-R285 PolarHBondContact OE2-NH2 3.24Å; V260-R285 HydrophobicContact CG2-CB 4.37Å; F281-R285 WeakPolarHBondContact O-CG 3.15Å; F281-R285 PolarHBondContact O-N 2.91Å; L282-R285 PolarHBondContact O-N 3.29Å; L283-R285 PolarHBondContact O-N 3.3Å; R285-S288 PolarHBondContact O-OG 2.86Å; R285-S288 VanDerWaalsContact O-OG 3.11Å
286V91.8Very high91.7Very high0 Ų045.4 Ų45.40%022%0.224CC..Hα-helixtrans-98.9-32.8-177.6172.50000111.2L282 L283 S288 L289 I294 L298 F317 L335L282-V286 HydrophobicContact CD1-CG2 3.67Å; L282-V286 HydrophobicContact CG-CG2 4.09Å; L282-V286 WeakPolarHBondContact O-CB 3.13Å; L282-V286 WeakPolarHBondContact O-CG2 3.41Å; L282-V286 PolarHBondContact O-N 2.89Å; L283-V286 PolarHBondContact O-N 3.19Å; L283-V286 VanDerWaalsContact O-N 3.1Å; V286-S288 PolarHBondContact O-N 3.28Å; V286-L289 WeakPolarHBondContact O-CB 3.34Å; V286-L289 PolarHBondContact O-N 3.34Å; V286-L289 VanDerWaalsContact O-N 3.14Å; V286-I294 HydrophobicContact CG1-CD1 3.93Å; V286-I294 HydrophobicContact CG1-CG1 4.03Å; V286-I294 HydrophobicContact CG1-CG2 3.86Å; V286-I294 VanDerWaalsContact O-CD1 3.23Å; V286-I294 WeakPolarHBondContact O-CD1 3.39Å; V286-L298 HydrophobicContact CG1-CD1 4.28Å; V286-L298 HydrophobicContact CG2-CD1 4.15Å; V286-F317 HydrophobicContact CB-CE2 4.31Å; V286-F317 HydrophobicContact CG2-CE2 4.33Å; V286-L335 HydrophobicContact CG1-CD1 3.88Å; V286-L335 HydrophobicContact CG1-CD2 4.04Å
287Q89.3Confident91.3Very high93 Ų9343.6 Ų43.644%0.43521%0.214SC..THydrogen-bonded Turntrans-68.8-14.7176.771.7-177-13.100114.3L283 L289 L335L283-Q287 WeakPolarHBondContact O-CG 3.35Å; L283-Q287 PolarHBondContact O-N 3.46Å; Q287-L289 VanDerWaalsContact C-N 3.3Å; Q287-L335 HydrophobicContact CB-CD2 4.04Å
288S84.7Confident91.2Very high61 Ų6137.4 Ų37.443%0.42719%0.185SC..THydrogen-bonded Turntrans-77.8-11.8172.360.80000113.7D256 R285 V286D256-S288 PolarHBondContact OD2-OG 2.89Å; R285-S288 PolarHBondContact O-OG 2.86Å; R285-S288 VanDerWaalsContact O-OG 3.11Å; V286-S288 PolarHBondContact O-N 3.28Å
289L87.1Confident91.1Very high18 Ų1836.6 Ų36.69%0.09418%0.181CC..SBendtrans-97.2153.3-170.5-59.5177.4000112.8D256 F257 V286 Q287 E291 I294 L298D256-L289 HydrophobicContact CB-CD2 4.25Å; F257-L289 HydrophobicContact CB-CD1 4.01Å; F257-L289 HydrophobicContact CB-CD2 4.03Å; F257-L289 HydrophobicContact CD2-CD1 4.4Å; V286-L289 WeakPolarHBondContact O-CB 3.34Å; V286-L289 PolarHBondContact O-N 3.34Å; V286-L289 VanDerWaalsContact O-N 3.14Å; Q287-L289 VanDerWaalsContact C-N 3.3Å; L289-E291 PolarHBondContact O-N 2.91Å; L289-I294 HydrophobicContact CB-CD1 4.28Å; L289-I294 HydrophobicContact CB-CG1 3.93Å; L289-L298 HydrophobicContact CD1-CD1 3.69Å
290P85.7Confident90.9Very high39 Ų3938.8 Ų38.825%0.25320%0.196SC..  trans-59.7135.7175.4-2433.8000113.2E98 E292 L293 I294E98-P290 HydrophobicContact CG-CG 4.28Å; P290-E292 PolarHBondContact O-N 2.88Å; P290-L293 HydrophobicContact CB-CB 4.21Å; P290-L293 WeakPolarHBondContact O-CA 3.31Å; P290-L293 VanDerWaalsContact O-CB 3.31Å; P290-L293 WeakPolarHBondContact O-CB 3.31Å; P290-L293 PolarHBondContact O-N 3.17Å; P290-I294 PolarHBondContact O-N 3.06Å; P290-I294 VanDerWaalsContact O-N 3.08Å
291E87.8Confident90.7Very high72 Ų7236.1 Ų36.134%0.33618%0.184SC..Hα-helixtrans-55.1-44.9-173-161.9-164.6135.600113.6L289 L293 I294 A295 L336 S337 L340L289-E291 PolarHBondContact O-N 2.91Å; E291-L293 VanDerWaalsContact C-N 3.31Å; E291-L293 PolarHBondContact O-N 2.84Å; E291-I294 PolarHBondContact O-N 3.19Å; E291-A295 WeakPolarHBondContact O-CB 3.41Å; E291-A295 PolarHBondContact O-N 3.33Å; E291-L336 HydrophobicContact CG-CD2 3.73Å; E291-S337 WeakPolarHBondContact OE1-CB 3.2Å; E291-S337 PolarHBondContact OE1-N 3.47Å; E291-S337 PolarHBondContact OE1-OG 2.95Å; E291-L340 HydrophobicContact CB-CD1 4.33Å; E291-L340 HydrophobicContact CG-CD1 4Å; E291-L340 WeakPolarHBondContact OE1-CD1 3.48Å
292E86.4Confident90.8Very high70 Ų7032 Ų3233%0.32717%0.166SC..Hα-helixtrans-68.1-29.2178.5-171.478.2-117.300112.1P290 A295 T296 L340 K343 H344P290-E292 PolarHBondContact O-N 2.88Å; E292-A295 PolarHBondContact O-N 2.85Å; E292-T296 HydrophobicContact CG-CG2 3.98Å; E292-T296 WeakPolarHBondContact O-CB 3.43Å; E292-T296 VanDerWaalsContact O-CG2 3.27Å; E292-T296 WeakPolarHBondContact O-CG2 3.19Å; E292-T296 PolarHBondContact O-N 3.26Å; E292-T296 PolarHBondContact O-OG1 2.86Å; E292-T296 VanDerWaalsContact OE1-CG2 3.24Å; E292-T296 WeakPolarHBondContact OE1-CG2 3.48Å; E292-L340 HydrophobicContact CB-CD1 4Å; E292-L340 VanDerWaalsContact OE2-CD2 3.27Å; E292-L340 WeakPolarHBondContact OE2-CD2 3.23Å; E292-K343 IonicContact OE1-NZ 3.94Å; E292-K343 PolarHBondContact OE1-NZ 3.41Å; E292-K343 IonicContact OE2-NZ 3.95Å; E292-K343 PolarHBondContact OE2-NZ 3.44Å; E292-H344 IonicContact OE1-CD2 2.72Å; E292-H344 IonicContact OE1-CE1 3.03Å; E292-H344 CovalentContact OE1-NE2 1.81Å; E292-H344 IonicContact OE1-NE2 2.71Å; E292-H344 PolarHBondContact OE1-NE2 3.32Å; E292-H344 IonicContact OE2-NE2 3.17Å
293L87.1Confident90.8Very high1 Ų132.4 Ų32.41%0.00517%0.168CC..Hα-helixtrans-68.7-42.9173.5-175.874.9000110.9E98 E99 F257 P290 E291 A295 R297E98-L293 HydrophobicContact CB-CD2 3.69Å; E98-L293 HydrophobicContact CG-CD2 4.21Å; E99-L293 HydrophobicContact CG-CD1 3.65Å; F257-L293 HydrophobicContact CB-CD2 4.16Å; F257-L293 HydrophobicContact CD2-CD1 4.15Å; F257-L293 HydrophobicContact CD2-CD2 3.59Å; F257-L293 HydrophobicContact CD2-CG 3.76Å; F257-L293 HydrophobicContact CE2-CD1 3.88Å; F257-L293 HydrophobicContact CE2-CD2 4.18Å; F257-L293 HydrophobicContact CE2-CG 3.85Å; F257-L293 HydrophobicContact CG-CD2 3.84Å; F257-L293 HydrophobicContact CG-CG 4.42Å; F257-L293 HydrophobicContact CZ-CD1 4.14Å; P290-L293 HydrophobicContact CB-CB 4.21Å; P290-L293 WeakPolarHBondContact O-CA 3.31Å; P290-L293 VanDerWaalsContact O-CB 3.31Å; P290-L293 WeakPolarHBondContact O-CB 3.31Å; P290-L293 PolarHBondContact O-N 3.17Å; E291-L293 VanDerWaalsContact C-N 3.31Å; E291-L293 PolarHBondContact O-N 2.84Å; L293-A295 VanDerWaalsContact C-N 3.32Å; L293-A295 PolarHBondContact O-N 2.87Å; L293-R297 HydrophobicContact CD1-CB 4.45Å; L293-R297 HydrophobicContact CD1-CG 4.01Å; L293-R297 WeakPolarHBondContact O-CB 3.49Å; L293-R297 PolarHBondContact O-N 2.87Å
294I92.2Very high90.7Very high4 Ų434.1 Ų34.12%0.02118%0.177CC..Iπ-helixtrans-59.2-48172.9-55.7168.8000109.2V286 L289 P290 E291 L298 V299 L336V286-I294 HydrophobicContact CG1-CD1 3.93Å; V286-I294 HydrophobicContact CG1-CG1 4.03Å; V286-I294 HydrophobicContact CG1-CG2 3.86Å; V286-I294 VanDerWaalsContact O-CD1 3.23Å; V286-I294 WeakPolarHBondContact O-CD1 3.39Å; L289-I294 HydrophobicContact CB-CD1 4.28Å; L289-I294 HydrophobicContact CB-CG1 3.93Å; P290-I294 PolarHBondContact O-N 3.06Å; P290-I294 VanDerWaalsContact O-N 3.08Å; E291-I294 PolarHBondContact O-N 3.19Å; I294-L298 HydrophobicContact CG1-CD1 4.47Å; I294-L298 HydrophobicContact CG2-CB 4.45Å; I294-L298 WeakPolarHBondContact O-CB 3.09Å; I294-L298 PolarHBondContact O-N 3.39Å; I294-L298 VanDerWaalsContact O-N 3.14Å; I294-V299 WeakPolarHBondContact O-CG2 3.44Å; I294-V299 PolarHBondContact O-N 2.88Å; I294-L336 HydrophobicContact CB-CD2 4.17Å; I294-L336 HydrophobicContact CG2-CD2 4.11Å
295A92.1Very high90.8Very high0 Ų030.6 Ų30.60%016%0.162CC..Iπ-helixtrans-69.7-42.4-173.600000113.7E291 E292 L293 V299 L336 L340 H344E291-A295 WeakPolarHBondContact O-CB 3.41Å; E291-A295 PolarHBondContact O-N 3.33Å; E292-A295 PolarHBondContact O-N 2.85Å; L293-A295 VanDerWaalsContact C-N 3.32Å; L293-A295 PolarHBondContact O-N 2.87Å; A295-V299 WeakPolarHBondContact O-CB 3.37Å; A295-L336 HydrophobicContact CB-CD2 3.74Å; A295-L340 HydrophobicContact CB-CB 4Å; A295-L340 HydrophobicContact CB-CD1 4.13Å; A295-H344 HydrophobicContact CB-CB 4.15Å; A295-H344 WeakPolarHBondContact CB-CD2 3.3Å; A295-H344 VanDerWaalsContact O-CB 3.28Å; A295-H344 WeakPolarHBondContact O-CB 3.37Å
296T88.7Confident91Very high32 Ų3232.3 Ų32.320%0.19617%0.173CC..Iπ-helixtrans-79-45.7-178.753.10000112.7E292 P300 H344E292-T296 HydrophobicContact CG-CG2 3.98Å; E292-T296 WeakPolarHBondContact O-CB 3.43Å; E292-T296 VanDerWaalsContact O-CG2 3.27Å; E292-T296 WeakPolarHBondContact O-CG2 3.19Å; E292-T296 PolarHBondContact O-N 3.26Å; E292-T296 PolarHBondContact O-OG1 2.86Å; E292-T296 VanDerWaalsContact OE1-CG2 3.24Å; E292-T296 WeakPolarHBondContact OE1-CG2 3.48Å; T296-P300 WeakPolarHBondContact O-CD 3.27Å; T296-P300 WeakPolarHBondContact O-CG 3.22Å; T296-H344 WeakPolarHBondContact CG2-CE1 3.34Å; T296-H344 WeakPolarHBondContact CG2-NE2 3.48Å
297R89.3Confident91.2Very high7 Ų732.3 Ų32.33%0.02617%0.173CC..Iπ-helixtrans-102.9-40.9-166.5-62.2-80.8-97.9148.8-1.9113.1D106 D135 G136 H137 F257 L293 K301D106-R297 IonicContact OD2-NH2 2.6Å; D135-R297 WeakPolarHBondContact O-CD 3.5Å; D135-R297 PolarHBondContact O-NH1 3.42Å; G136-R297 VanDerWaalsContact C-CZ 3.4Å; G136-R297 VanDerWaalsContact C-NH1 3.27Å; G136-R297 PolarHBondContact O-NH1 3.08Å; G136-R297 PolarHBondContact O-NH2 3.4Å; H137-R297 PolarHBondContact CD2-NH1 3.49Å; H137-R297 PolarHBondContact CE1-NH1 3.32Å; H137-R297 VanDerWaalsContact CE1-NH1 3.28Å; H137-R297 PolarHBondContact ND1-NH1 2.85Å; H137-R297 PolarHBondContact NE2-NH1 3.26Å; F257-R297 HydrophobicContact CE2-CB 3.57Å; F257-R297 HydrophobicContact CE2-CG 4.29Å; F257-R297 HydrophobicContact CZ-CB 3.69Å; F257-R297 HydrophobicContact CZ-CG 4.09Å; L293-R297 HydrophobicContact CD1-CB 4.45Å; L293-R297 HydrophobicContact CD1-CG 4.01Å; L293-R297 WeakPolarHBondContact O-CB 3.49Å; L293-R297 PolarHBondContact O-N 2.87Å; R297-K301 WeakPolarHBondContact O-CG 3.23Å
298L93.5Very high91.5Very high0 Ų028 Ų280%015%0.153CC..Iπ-helixtrans-87.4-45.7-175.2-60.7-175.4000113.2F257 V260 M261 V286 L289 I294 P300 K301 L302F257-L298 HydrophobicContact CD2-CD1 4.28Å; F257-L298 HydrophobicContact CD2-CD2 3.73Å; F257-L298 HydrophobicContact CD2-CG 4Å; F257-L298 HydrophobicContact CE2-CD2 3.57Å; F257-L298 HydrophobicContact CE2-CG 3.91Å; V260-L298 HydrophobicContact CG1-CD2 4Å; M261-L298 HydrophobicContact CG-CD2 3.73Å; M261-L298 HydrophobicContact SD-CD2 3.74Å; V286-L298 HydrophobicContact CG1-CD1 4.28Å; V286-L298 HydrophobicContact CG2-CD1 4.15Å; L289-L298 HydrophobicContact CD1-CD1 3.69Å; I294-L298 HydrophobicContact CG1-CD1 4.47Å; I294-L298 HydrophobicContact CG2-CB 4.45Å; I294-L298 WeakPolarHBondContact O-CB 3.09Å; I294-L298 PolarHBondContact O-N 3.39Å; I294-L298 VanDerWaalsContact O-N 3.14Å; L298-P300 VanDerWaalsContact C-CD 3.5Å; L298-P300 VanDerWaalsContact C-N 3.35Å; L298-K301 CarbonylContact O-C 3.53Å; L298-K301 WeakPolarHBondContact O-CA 3.41Å; L298-K301 PolarHBondContact O-N 3.33Å; L298-L302 HydrophobicContact CB-CD1 3.77Å; L298-L302 WeakPolarHBondContact O-CB 3.2Å; L298-L302 WeakPolarHBondContact O-CG 3.39Å; L298-L302 PolarHBondContact O-N 3.28Å
299V95.3Very high92.1Very high0 Ų027.2 Ų27.20%015%0.151CC..Hα-helixtrans-48.6-46.4179.5162.40000113.2I294 A295 K301 L302 L303 L321 L336 V345 Q348I294-V299 WeakPolarHBondContact O-CG2 3.44Å; I294-V299 PolarHBondContact O-N 2.88Å; A295-V299 WeakPolarHBondContact O-CB 3.37Å; V299-K301 PolarHBondContact O-N 3.03Å; V299-L302 PolarHBondContact O-N 3.21Å; V299-L303 HydrophobicContact CG1-CD1 3.81Å; V299-L303 HydrophobicContact CG1-CG 4.31Å; V299-L303 WeakPolarHBondContact O-CB 3.42Å; V299-L303 PolarHBondContact O-N 3.14Å; V299-L321 HydrophobicContact CG2-CD1 3.99Å; V299-L336 HydrophobicContact CG2-CD1 3.68Å; V299-V345 HydrophobicContact CG1-CG2 3.81Å; V299-V345 HydrophobicContact CG2-CG2 3.92Å; V299-Q348 HydrophobicContact CG1-CG 4.13Å
300P92.6Very high92.5Very high48 Ų4827.1 Ų27.131%0.31215%0.15SC..Hα-helixtrans-69.4-15.9179.3-19.533.7000114.7T296 L298T296-P300 WeakPolarHBondContact O-CD 3.27Å; T296-P300 WeakPolarHBondContact O-CG 3.22Å; L298-P300 VanDerWaalsContact C-CD 3.5Å; L298-P300 VanDerWaalsContact C-N 3.35Å
301K93.3Very high93Very high66 Ų6628.5 Ų28.529%0.28716%0.159SC..Hα-helixtrans-97.9-26.6175.6-47.4-58.5-178.4-171.50111.7D135 M261 L264 R297 L298 V299 N304D135-K301 IonicContact OD2-NZ 2.66Å; D135-K301 PolarHBondContact OD2-NZ 3.39Å; M261-K301 HydrophobicContact CE-CG 4.38Å; M261-K301 HydrophobicContact SD-CG 3.95Å; L264-K301 HydrophobicContact CD1-CB 4.04Å; R297-K301 WeakPolarHBondContact O-CG 3.23Å; L298-K301 CarbonylContact O-C 3.53Å; L298-K301 WeakPolarHBondContact O-CA 3.41Å; L298-K301 PolarHBondContact O-N 3.33Å; V299-K301 PolarHBondContact O-N 3.03Å; K301-N304 PolarHBondContact O-ND2 3.2Å
302L95.9Very high93.4Very high0 Ų025.6 Ų25.60%015%0.146CC..Hα-helixtrans-85.4-34.8178.7-69.1167.1000113.3L264 L282 L298 V299 N304 V307 F317 L321L264-L302 HydrophobicContact CD1-CD2 3.69Å; L264-L302 HydrophobicContact CD1-CG 4.05Å; L264-L302 HydrophobicContact CD2-CD2 4.09Å; L282-L302 HydrophobicContact CD2-CD2 3.84Å; L298-L302 HydrophobicContact CB-CD1 3.77Å; L298-L302 WeakPolarHBondContact O-CB 3.2Å; L298-L302 WeakPolarHBondContact O-CG 3.39Å; L298-L302 PolarHBondContact O-N 3.28Å; V299-L302 PolarHBondContact O-N 3.21Å; L302-N304 VanDerWaalsContact C-N 3.3Å; L302-N304 PolarHBondContact O-N 3.46Å; L302-N304 VanDerWaalsContact O-N 3.1Å; L302-V307 WeakPolarHBondContact O-CB 3.22Å; L302-V307 WeakPolarHBondContact O-CG1 3.39Å; L302-F317 HydrophobicContact CB-CE1 4.39Å; L302-F317 HydrophobicContact CD1-CE1 3.82Å; L302-F317 HydrophobicContact CD1-CZ 3.76Å; L302-F317 HydrophobicContact CD2-CE1 3.88Å; L302-F317 HydrophobicContact CD2-CZ 4.4Å; L302-F317 HydrophobicContact CG-CE1 4.25Å; L302-L321 HydrophobicContact CB-CD2 3.7Å; L302-L321 HydrophobicContact CD1-CD2 4.15Å
303L95.7Very high93.9Very high8 Ų822.2 Ų22.24%0.04213%0.13CC..SBendtrans-87.267.8176.6-61.9-174.8000111.1V299 F308 L318 L321 L322 V345 Q348 L352V299-L303 HydrophobicContact CG1-CD1 3.81Å; V299-L303 HydrophobicContact CG1-CG 4.31Å; V299-L303 WeakPolarHBondContact O-CB 3.42Å; V299-L303 PolarHBondContact O-N 3.14Å; L303-F308 HydrophobicContact CD2-CE1 3.85Å; L303-F308 HydrophobicContact CD2-CZ 4.04Å; L303-L318 HydrophobicContact CD2-CD2 4.39Å; L303-L321 HydrophobicContact CD2-CD2 3.67Å; L303-L321 HydrophobicContact CD2-CG 4.3Å; L303-L321 HydrophobicContact CG-CD2 4.04Å; L303-L322 HydrophobicContact CD2-CD2 4.09Å; L303-V345 HydrophobicContact CD1-CB 4.27Å; L303-V345 HydrophobicContact CD1-CG1 3.73Å; L303-V345 HydrophobicContact CD1-CG2 4.24Å; L303-Q348 HydrophobicContact CB-CB 4.04Å; L303-Q348 HydrophobicContact CB-CG 4.5Å; L303-Q348 HydrophobicContact CD1-CB 4.01Å; L303-Q348 HydrophobicContact CD1-CG 4.37Å; L303-L352 HydrophobicContact CB-CD1 4.05Å
304N93.6Very high94.3Very high50 Ų5024 Ų2427%0.26714%0.141SC..SBendtrans-135.6158.317791.774.6000112.2K301 L302 M306 V307 F308K301-N304 PolarHBondContact O-ND2 3.2Å; L302-N304 VanDerWaalsContact C-N 3.3Å; L302-N304 PolarHBondContact O-N 3.46Å; L302-N304 VanDerWaalsContact O-N 3.1Å; N304-M306 VanDerWaalsContact C-N 3.29Å; N304-M306 PolarHBondContact O-N 3.43Å; N304-M306 WeakPolarHBondContact OD1-CA 3.5Å; N304-M306 VanDerWaalsContact OD1-CB 3.28Å; N304-M306 WeakPolarHBondContact OD1-CB 3.42Å; N304-M306 PolarHBondContact OD1-N 3.2Å; N304-V307 WeakPolarHBondContact ND2-CG2 3.38Å; N304-V307 PolarHBondContact O-N 3.2Å; N304-V307 VanDerWaalsContact O-N 3.15Å; N304-F308 WeakPolarHBondContact O-CD1 3.37Å; N304-F308 PolarHBondContact O-N 3.1Å; N304-F308 VanDerWaalsContact O-N 3.12Å
305G94.2Very high94.5Very high14 Ų1431 Ų3114%0.14417%0.167CC..Hα-helixtrans-58.3-32.3-174.200000115.3F308 A309 H359G305-F308 PolarHBondContact O-N 3.26Å; G305-A309 PolarHBondContact O-N 3.41Å; G305-A309 VanDerWaalsContact O-N 3.11Å; G305-H359 PolarHBondContact O-NE2 3.46Å
306M94.5Very high94.5Very high95 Ų9532.9 Ų32.947%0.46818%0.181SC..Hα-helixtrans-67.6-45.9176.4-54.7-53.3-55.200111.3L267 T268 N304 F308 A309 E310L267-M306 HydrophobicContact CD2-CB 4.14Å; T268-M306 HydrophobicContact CG2-CE 4.22Å; N304-M306 VanDerWaalsContact C-N 3.29Å; N304-M306 PolarHBondContact O-N 3.43Å; N304-M306 WeakPolarHBondContact OD1-CA 3.5Å; N304-M306 VanDerWaalsContact OD1-CB 3.28Å; N304-M306 WeakPolarHBondContact OD1-CB 3.42Å; N304-M306 PolarHBondContact OD1-N 3.2Å; M306-F308 PolarHBondContact O-N 2.79Å; M306-A309 WeakPolarHBondContact O-CB 3.14Å; M306-A309 PolarHBondContact O-N 2.92Å; M306-E310 WeakPolarHBondContact O-CG 3.32Å; M306-E310 PolarHBondContact O-N 3.1Å
307V96.3Very high94.8Very high0 Ų031.4 Ų31.40%017%0.171CC..Hα-helixtrans-66.1-29177.1175.20000111.2L264 L267 F279 L302 N304 A309 E310 A313 L318L264-V307 HydrophobicContact CD2-CG2 4.1Å; L267-V307 HydrophobicContact CD2-CG2 3.82Å; F279-V307 HydrophobicContact CE1-CG1 3.96Å; F279-V307 HydrophobicContact CE1-CG2 4.38Å; F279-V307 HydrophobicContact CZ-CG1 4.3Å; F279-V307 HydrophobicContact CZ-CG2 4.17Å; L302-V307 WeakPolarHBondContact O-CB 3.22Å; L302-V307 WeakPolarHBondContact O-CG1 3.39Å; N304-V307 WeakPolarHBondContact ND2-CG2 3.38Å; N304-V307 PolarHBondContact O-N 3.2Å; N304-V307 VanDerWaalsContact O-N 3.15Å; V307-A309 VanDerWaalsContact C-N 3.29Å; V307-E310 PolarHBondContact O-N 3.08Å; V307-A313 HydrophobicContact CG1-CB 3.95Å; V307-A313 WeakPolarHBondContact O-CB 3.41Å; V307-L318 HydrophobicContact CG1-CD2 4.29Å
308F96.5Very high95.1Very high2 Ų231 Ų311%0.00917%0.17CC..Hα-helixtrans-76.1-15.1174.7-81.947.5000113.1L303 N304 G305 M306 V314 L318 L322 L352 V360 V363 L364L303-F308 HydrophobicContact CD2-CE1 3.85Å; L303-F308 HydrophobicContact CD2-CZ 4.04Å; N304-F308 WeakPolarHBondContact O-CD1 3.37Å; N304-F308 PolarHBondContact O-N 3.1Å; N304-F308 VanDerWaalsContact O-N 3.12Å; G305-F308 PolarHBondContact O-N 3.26Å; M306-F308 PolarHBondContact O-N 2.79Å; F308-V314 WeakPolarHBondContact O-CG2 3.17Å; F308-L318 HydrophobicContact CD1-CD1 3.6Å; F308-L318 HydrophobicContact CD1-CD2 4.32Å; F308-L318 HydrophobicContact CD2-CD1 4.48Å; F308-L318 HydrophobicContact CE1-CD1 3.68Å; F308-L318 HydrophobicContact CE1-CD2 3.81Å; F308-L318 HydrophobicContact CE1-CG 4.43Å; F308-L318 HydrophobicContact CG-CD1 4.01Å; F308-L318 HydrophobicContact CZ-CD1 4.18Å; F308-L322 HydrophobicContact CZ-CD2 4.49Å; F308-L352 HydrophobicContact CE1-CD1 4.12Å; F308-L352 HydrophobicContact CE2-CD1 4.08Å; F308-L352 HydrophobicContact CZ-CD1 3.72Å; F308-V360 HydrophobicContact CB-CG2 4.13Å; F308-V360 HydrophobicContact CD2-CG1 4.11Å; F308-V363 HydrophobicContact CD2-CB 3.73Å; F308-V363 HydrophobicContact CD2-CG1 3.63Å; F308-V363 HydrophobicContact CD2-CG2 4.4Å; F308-V363 HydrophobicContact CE2-CB 4.09Å; F308-V363 HydrophobicContact CE2-CG1 3.62Å; F308-V363 HydrophobicContact CG-CG1 4.39Å; F308-V363 HydrophobicContact CZ-CG1 4.37Å; F308-L364 HydrophobicContact CE2-CD2 4.07Å; F308-L364 HydrophobicContact CE2-CG 4.17Å
309A95.7Very high95.1Very high46 Ų4632.7 Ų32.738%0.3818%0.181SC..Hα-helixtrans-84.5-23.7173.200000112.7G305 M306 V307 P311G305-A309 PolarHBondContact O-N 3.41Å; G305-A309 VanDerWaalsContact O-N 3.11Å; M306-A309 WeakPolarHBondContact O-CB 3.14Å; M306-A309 PolarHBondContact O-N 2.92Å; V307-A309 VanDerWaalsContact C-N 3.29Å; A309-P311 VanDerWaalsContact O-CD 3.22Å; A309-P311 WeakPolarHBondContact O-CD 3.33Å
310E96.8Very high95Very high16 Ų1635.2 Ų35.28%0.07519%0.192CC..  trans-76.1109.3-175.3-64.8-68.5165.400111.1K275 F279 M306 V307 T312 A313 V314K275-E310 WeakPolarHBondContact CD-OE1 3.25Å; K275-E310 WeakPolarHBondContact CE-OE1 3.36Å; K275-E310 IonicContact NZ-OE1 3.94Å; K275-E310 PolarHBondContact NZ-OE1 3.1Å; F279-E310 HydrophobicContact CD2-CB 4.02Å; F279-E310 HydrophobicContact CD2-CG 4.3Å; F279-E310 HydrophobicContact CE2-CB 3.8Å; F279-E310 HydrophobicContact CE2-CG 3.64Å; F279-E310 HydrophobicContact CZ-CB 4.48Å; F279-E310 HydrophobicContact CZ-CG 4.26Å; M306-E310 WeakPolarHBondContact O-CG 3.32Å; M306-E310 PolarHBondContact O-N 3.1Å; V307-E310 PolarHBondContact O-N 3.08Å; E310-T312 PolarHBondContact O-N 2.95Å; E310-T312 VanDerWaalsContact O-N 3.08Å; E310-A313 HydrophobicContact CB-CB 3.88Å; E310-A313 WeakPolarHBondContact O-CB 3.5Å; E310-A313 PolarHBondContact O-N 2.71Å; E310-V314 PolarHBondContact O-N 3.03Å; E310-V314 VanDerWaalsContact O-N 3.13Å
311P95.7Very high95.1Very high67 Ų6733 Ų3344%0.43518%0.178SC..Hα-helixtrans-62.9-28.3-167.4-26.237.1000114.1A309 R315A309-P311 VanDerWaalsContact O-CD 3.22Å; A309-P311 WeakPolarHBondContact O-CD 3.33Å; P311-R315 WeakPolarHBondContact O-CB 3.24Å; P311-R315 WeakPolarHBondContact O-CG 3.17Å; P311-R315 VanDerWaalsContact O-CZ 3.24Å; P311-R315 PolarHBondContact O-N 3.21Å; P311-R315 VanDerWaalsContact O-N 3.14Å; P311-R315 PolarHBondContact O-NE 2.84Å; P311-R315 PolarHBondContact O-NH2 3.17Å
312T96.6Very high95.2Very high11 Ų1129.9 Ų29.97%0.06716%0.164CC..Hα-helixtrans-80.4-28.7176.8-63.20000112.4N276 F279 K280 E310 R315 S316N276-T312 WeakPolarHBondContact OD1-CB 3.27Å; N276-T312 PolarHBondContact OD1-OG1 3.47Å; F279-T312 HydrophobicContact CB-CG2 4.1Å; K280-T312 HydrophobicContact CB-CG2 4.19Å; E310-T312 PolarHBondContact O-N 2.95Å; E310-T312 VanDerWaalsContact O-N 3.08Å; T312-R315 PolarHBondContact O-N 3.21Å; T312-R315 PolarHBondContact OG1-NH1 3.15Å; T312-R315 VanDerWaalsContact OG1-NH1 3.09Å; T312-R315 PolarHBondContact OG1-NH2 3.42Å; T312-S316 WeakPolarHBondContact O-CB 3.49Å; T312-S316 PolarHBondContact O-N 2.79Å
313A96.8Very high95Very high0 Ų032.4 Ų32.40%018%0.175CC..Iπ-helixtrans-63.9-45.2168.800000111F279 V307 E310 R315 F317 L318F279-A313 HydrophobicContact CB-CB 4.11Å; F279-A313 HydrophobicContact CD1-CB 3.5Å; F279-A313 VanDerWaalsContact CD1-CB 3.5Å; F279-A313 HydrophobicContact CD2-CB 4.05Å; F279-A313 HydrophobicContact CE1-CB 3.86Å; F279-A313 HydrophobicContact CE2-CB 4.39Å; F279-A313 HydrophobicContact CG-CB 3.62Å; F279-A313 HydrophobicContact CZ-CB 4.3Å; V307-A313 HydrophobicContact CG1-CB 3.95Å; V307-A313 WeakPolarHBondContact O-CB 3.41Å; E310-A313 HydrophobicContact CB-CB 3.88Å; E310-A313 WeakPolarHBondContact O-CB 3.5Å; E310-A313 PolarHBondContact O-N 2.71Å; A313-R315 VanDerWaalsContact C-N 3.33Å; A313-R315 PolarHBondContact O-N 3.46Å; A313-F317 PolarHBondContact O-N 3.5Å; A313-L318 PolarHBondContact O-N 3.45Å
314V96.2Very high94.8Very high38 Ų3832.3 Ų32.323%0.2318%0.175CC..Iπ-helixtrans-61-39.3177.2176.60000112.2F308 E310 L318 P319 V363F308-V314 WeakPolarHBondContact O-CG2 3.17Å; E310-V314 PolarHBondContact O-N 3.03Å; E310-V314 VanDerWaalsContact O-N 3.13Å; V314-L318 HydrophobicContact CG2-CD1 4.11Å; V314-P319 WeakPolarHBondContact O-CD 3.48Å; V314-V363 HydrophobicContact CB-CG2 4.44Å; V314-V363 HydrophobicContact CG1-CG2 3.8Å; V314-V363 HydrophobicContact CG2-CG2 3.71Å
315R94.6Very high94.4Very high150 Ų15032.5 Ų32.557%0.56618%0.176SC*.Iπ-helixtrans-81.3-42.5-179-75.7-178-85.791.8-2.1114.3P311 T312 A313P311-R315 WeakPolarHBondContact O-CB 3.24Å; P311-R315 WeakPolarHBondContact O-CG 3.17Å; P311-R315 VanDerWaalsContact O-CZ 3.24Å; P311-R315 PolarHBondContact O-N 3.21Å; P311-R315 VanDerWaalsContact O-N 3.14Å; P311-R315 PolarHBondContact O-NE 2.84Å; P311-R315 PolarHBondContact O-NH2 3.17Å; T312-R315 PolarHBondContact O-N 3.21Å; T312-R315 PolarHBondContact OG1-NH1 3.15Å; T312-R315 VanDerWaalsContact OG1-NH1 3.09Å; T312-R315 PolarHBondContact OG1-NH2 3.42Å; A313-R315 VanDerWaalsContact C-N 3.33Å; A313-R315 PolarHBondContact O-N 3.46Å
316S93.3Very high93.7Very high41 Ų4136.1 Ų36.129%0.28719%0.188SC..Iπ-helixtrans-105.2-25.1-167.1-63.80000114.4T312 H320T312-S316 WeakPolarHBondContact O-CB 3.49Å; T312-S316 PolarHBondContact O-N 2.79Å; S316-H320 PolarHBondContact O-CE1 2.75Å; S316-H320 VanDerWaalsContact O-CE1 3.26Å; S316-H320 PolarHBondContact O-ND1 3.45Å
317F95.1Very high92.1Very high0 Ų038.2 Ų38.20%020%0.201CC..Iπ-helixtrans-120-50.5-169.7-178.1-103.4000114.4L282 L283 V286 L302 A313 P319 H320 L321 L335L282-F317 HydrophobicContact CB-CD2 4.02Å; L282-F317 HydrophobicContact CB-CE2 4.46Å; L282-F317 HydrophobicContact CB-CG 4.38Å; L282-F317 HydrophobicContact CD2-CD1 3.71Å; L282-F317 HydrophobicContact CD2-CD2 3.88Å; L282-F317 HydrophobicContact CD2-CE1 3.82Å; L282-F317 HydrophobicContact CD2-CE2 4Å; L282-F317 HydrophobicContact CD2-CG 3.74Å; L282-F317 HydrophobicContact CD2-CZ 3.98Å; L282-F317 HydrophobicContact CG-CD1 4.47Å; L282-F317 HydrophobicContact CG-CD2 3.74Å; L282-F317 HydrophobicContact CG-CE1 4.46Å; L282-F317 HydrophobicContact CG-CE2 3.75Å; L282-F317 HydrophobicContact CG-CG 4.12Å; L282-F317 HydrophobicContact CG-CZ 4.13Å; L283-F317 HydrophobicContact CB-CD2 4.27Å; L283-F317 HydrophobicContact CD1-CD2 4.43Å; L283-F317 HydrophobicContact CD1-CE2 4.45Å; V286-F317 HydrophobicContact CB-CE2 4.31Å; V286-F317 HydrophobicContact CG2-CE2 4.33Å; L302-F317 HydrophobicContact CB-CE1 4.39Å; L302-F317 HydrophobicContact CD1-CE1 3.82Å; L302-F317 HydrophobicContact CD1-CZ 3.76Å; L302-F317 HydrophobicContact CD2-CE1 3.88Å; L302-F317 HydrophobicContact CD2-CZ 4.4Å; L302-F317 HydrophobicContact CG-CE1 4.25Å; A313-F317 PolarHBondContact O-N 3.5Å; F317-P319 VanDerWaalsContact C-N 3.34Å; F317-H320 WeakPolarHBondContact O-CB 3.39Å; F317-H320 PolarHBondContact O-N 3.31Å; F317-L321 HydrophobicContact CE1-CB 4.09Å; F317-L321 HydrophobicContact CE1-CD2 3.77Å; F317-L321 HydrophobicContact CE1-CG 4.45Å; F317-L321 HydrophobicContact CZ-CB 4.29Å; F317-L321 HydrophobicContact CZ-CD2 4.26Å; F317-L321 PolarHBondContact O-N 3.15Å; F317-L335 HydrophobicContact CE2-CD1 3.86Å; F317-L335 HydrophobicContact CZ-CD1 4.01Å
318L95.3Very high89.5Confident0 Ų044 Ų440%024%0.241CC..Hα-helixtrans-58.2-32-177.6-66.8-177.5000114.9L303 V307 F308 A313 V314 H320 L321 L322 V363L303-L318 HydrophobicContact CD2-CD2 4.39Å; V307-L318 HydrophobicContact CG1-CD2 4.29Å; F308-L318 HydrophobicContact CD1-CD1 3.6Å; F308-L318 HydrophobicContact CD1-CD2 4.32Å; F308-L318 HydrophobicContact CD2-CD1 4.48Å; F308-L318 HydrophobicContact CE1-CD1 3.68Å; F308-L318 HydrophobicContact CE1-CD2 3.81Å; F308-L318 HydrophobicContact CE1-CG 4.43Å; F308-L318 HydrophobicContact CG-CD1 4.01Å; F308-L318 HydrophobicContact CZ-CD1 4.18Å; A313-L318 PolarHBondContact O-N 3.45Å; V314-L318 HydrophobicContact CG2-CD1 4.11Å; L318-H320 PolarHBondContact O-N 2.97Å; L318-L321 PolarHBondContact O-N 2.98Å; L318-L322 HydrophobicContact CB-CD1 4.26Å; L318-L322 VanDerWaalsContact O-CB 3.23Å; L318-L322 WeakPolarHBondContact O-CB 3.36Å; L318-L322 VanDerWaalsContact O-CG 3.23Å; L318-L322 WeakPolarHBondContact O-CG 3.47Å; L318-L322 PolarHBondContact O-N 3.18Å; L318-V363 HydrophobicContact CD1-CG1 3.99Å
319P93.3Very high87.2Confident35 Ų3548.4 Ų48.423%0.22729%0.286CS..Hα-helixtrans-59.5-31.8174.3-25.636.2000113.5V314 F317 K323V314-P319 WeakPolarHBondContact O-CD 3.48Å; F317-P319 VanDerWaalsContact C-N 3.34Å; P319-K323 VanDerWaalsContact O-CB 3.23Å; P319-K323 WeakPolarHBondContact O-CB 3.4Å
320H92.9Very high84.7Confident52 Ų5248.7 Ų48.724%0.24129%0.293CS..Hα-helixtrans-82.2-36.4-179.7-54.1106.8000112L283 S316 F317 L318 E333L283-H320 HydrophobicContact CD1-CB 3.65Å; L283-H320 HydrophobicContact CD2-CB 4.43Å; S316-H320 PolarHBondContact O-CE1 2.75Å; S316-H320 VanDerWaalsContact O-CE1 3.26Å; S316-H320 PolarHBondContact O-ND1 3.45Å; F317-H320 WeakPolarHBondContact O-CB 3.39Å; F317-H320 PolarHBondContact O-N 3.31Å; L318-H320 PolarHBondContact O-N 2.97Å; H320-E333 WeakPolarHBondContact CB-O 3.45Å; H320-E333 PolarHBondContact CD2-O 3.32Å
321L94.6Very high82.3Confident1 Ų154.3 Ų54.31%0.00534%0.335CS..Hα-helixtrans-76.6-35176.7-171.564.1000113.1V299 L302 L303 F317 L318 K323 L335 L336V299-L321 HydrophobicContact CG2-CD1 3.99Å; L302-L321 HydrophobicContact CB-CD2 3.7Å; L302-L321 HydrophobicContact CD1-CD2 4.15Å; L303-L321 HydrophobicContact CD2-CD2 3.67Å; L303-L321 HydrophobicContact CD2-CG 4.3Å; L303-L321 HydrophobicContact CG-CD2 4.04Å; F317-L321 HydrophobicContact CE1-CB 4.09Å; F317-L321 HydrophobicContact CE1-CD2 3.77Å; F317-L321 HydrophobicContact CE1-CG 4.45Å; F317-L321 HydrophobicContact CZ-CB 4.29Å; F317-L321 HydrophobicContact CZ-CD2 4.26Å; F317-L321 PolarHBondContact O-N 3.15Å; L318-L321 PolarHBondContact O-N 2.98Å; L321-K323 VanDerWaalsContact C-N 3.26Å; L321-K323 PolarHBondContact O-N 3.48Å; L321-L335 HydrophobicContact CB-CD1 4.41Å; L321-L335 HydrophobicContact CD1-CD1 4.06Å; L321-L336 HydrophobicContact CD1-CD1 4.23Å
322L94.6Very high80.5Confident1 Ų157.3 Ų57.31%0.00534%0.343CS..SBendtrans-78.8-8.4178.3-66.6174.9000112.9L303 F308 L318 Y341 L349 V363 H367L303-L322 HydrophobicContact CD2-CD2 4.09Å; F308-L322 HydrophobicContact CZ-CD2 4.49Å; L318-L322 HydrophobicContact CB-CD1 4.26Å; L318-L322 VanDerWaalsContact O-CB 3.23Å; L318-L322 WeakPolarHBondContact O-CB 3.36Å; L318-L322 VanDerWaalsContact O-CG 3.23Å; L318-L322 WeakPolarHBondContact O-CG 3.47Å; L318-L322 PolarHBondContact O-N 3.18Å; L322-Y341 WeakPolarHBondContact O-CE2 3.36Å; L322-Y341 PolarHBondContact O-OH 3.43Å; L322-L349 HydrophobicContact CD2-CD2 3.74Å; L322-V363 HydrophobicContact CD1-CG1 4.35Å; L322-H367 HydrophobicContact CB-CB 4.5Å; L322-H367 HydrophobicContact CD1-CB 3.91Å
323K92.4Very high79.1Confident54 Ų5461.9 Ų61.924%0.23536%0.363CS..SBendtrans-96.8114.6-179.7-176.1168.3177.9172.40111.3P319 L321 N325 E332 V370P319-K323 VanDerWaalsContact O-CB 3.23Å; P319-K323 WeakPolarHBondContact O-CB 3.4Å; L321-K323 VanDerWaalsContact C-N 3.26Å; L321-K323 PolarHBondContact O-N 3.48Å; K323-N325 PolarHBondContact O-N 2.99Å; K323-E332 IonicContact NZ-OE1 2.67Å; K323-E332 PolarHBondContact NZ-OE1 3.06Å; K323-E332 IonicContact NZ-OE2 3.08Å; K323-E332 PolarHBondContact NZ-OE2 2.72Å; K323-V370 HydrophobicContact CB-CG1 3.86Å; K323-V370 HydrophobicContact CD-CG1 4.47Å; K323-V370 HydrophobicContact CG-CG1 3.82Å
324P90.9Very high78.1Confident5 Ų562.9 Ų62.93%0.03237%0.37CS..EExtended strand (participates in β ladder)trans-68.8131.4172.131.1-35.9000109.5K326 Y341P324-K326 PolarHBondContact O-N 3.19Å; P324-K326 VanDerWaalsContact O-N 3.11Å; P324-Y341 HydrophobicContact CB-CD1 4.13Å; P324-Y341 HydrophobicContact CB-CD2 3.83Å; P324-Y341 HydrophobicContact CB-CE2 4.19Å; P324-Y341 HydrophobicContact CB-CG 3.8Å
325N86.1Confident77.6Confident55 Ų5561.8 Ų61.829%0.29436%0.363SS..EExtended strand (participates in β ladder)trans-67.9108.7170.6-167.4-9.6000108.8K323 C334 L336 V338K323-N325 PolarHBondContact O-N 2.99Å; N325-C334 HydrophobicContact CB-CB 3.55Å; N325-L336 VanDerWaalsContact CB-O 3.23Å; N325-L336 WeakPolarHBondContact CB-O 3.27Å; N325-L336 PolarHBondContact N-O 3.5Å; N325-V338 WeakPolarHBondContact O-CG2 3.27Å; N325-V338 PolarHBondContact O-N 3.17Å
326K78.9Confident77.5Confident89 Ų8954.7 Ų54.739%0.38734%0.336SS..  trans-105104.8175.5-63.5176.3-171.2172.60106.7P324 C328 V338 E373P324-K326 PolarHBondContact O-N 3.19Å; P324-K326 VanDerWaalsContact O-N 3.11Å; K326-C328 WeakPolarHBondContact O-CB 3.41Å; K326-C328 PolarHBondContact O-N 3.45Å; K326-V338 HydrophobicContact CG-CG2 4.09Å; K326-E373 IonicContact NZ-OE2 3.25Å; K326-E373 PolarHBondContact NZ-OE2 3.03Å
327D60.8Low77.4Confident139 Ų13954 Ų5474%0.74333%0.331SS*.  trans-52.589.3-169-59.2-81.5000114.7
328C42.4Very low77.3Confident123 Ų12356 Ų5683%0.83134%0.343SS*.  trans-141.136.2-172.8-87.10000113.6K326 G330K326-C328 WeakPolarHBondContact O-CB 3.41Å; K326-C328 PolarHBondContact O-N 3.45Å; C328-G330 PolarHBondContact O-N 2.82Å; C328-G330 VanDerWaalsContact O-N 3.15Å
329G47.4Very low77.1Confident93 Ų9359.9 Ų59.996%0.95937%0.37SS*.SBendtrans64.726152.200000118.3
330G42.9Very low77.1Confident52 Ų5259.1 Ų59.154%0.53636%0.364SS..SBendtrans-154.6106.3179.600000115.1C328 E332C328-G330 PolarHBondContact O-N 2.82Å; C328-G330 VanDerWaalsContact O-N 3.15Å; G330-E332 VanDerWaalsContact C-N 3.3Å; G330-E332 PolarHBondContact O-N 3.47Å
331S48.2Very low77.2Confident135 Ų13556.7 Ų56.794%0.94435%0.353SS*.  trans42.830.1136.1-158.20000120.5
332E56.5Low77.2Confident129 Ų12962.8 Ų62.860%0.60338%0.376SS*.  trans-125.7125.4175.4-63.4-168.8104.300110.7K323 G330 C334K323-E332 IonicContact NZ-OE1 2.67Å; K323-E332 PolarHBondContact NZ-OE1 3.06Å; K323-E332 IonicContact NZ-OE2 3.08Å; K323-E332 PolarHBondContact NZ-OE2 2.72Å; G330-E332 VanDerWaalsContact C-N 3.3Å; G330-E332 PolarHBondContact O-N 3.47Å; E332-C334 VanDerWaalsContact C-N 3.32Å; E332-C334 PolarHBondContact O-N 3Å; E332-C334 PolarHBondContact O-SG 3.14Å; E332-C334 VanDerWaalsContact O-SG 3.32Å
333E66.7Low77.3Confident107 Ų10767.9 Ų67.950%0.540%0.398SS..  trans-71.977.8-172.4-69157.5-174.700111.6L283 H320L283-E333 HydrophobicContact CD2-CB 4.22Å; L283-E333 VanDerWaalsContact CD2-OE2 3.27Å; L283-E333 WeakPolarHBondContact CD2-OE2 3.12Å; H320-E333 WeakPolarHBondContact CB-O 3.45Å; H320-E333 PolarHBondContact CD2-O 3.32Å
334C76.3Confident77.4Confident21 Ų2167.5 Ų67.514%0.14240%0.397CS..  trans-101.9113.4-176.4-56.70000110.8N325 E332 L336N325-C334 HydrophobicContact CB-CB 3.55Å; E332-C334 VanDerWaalsContact C-N 3.32Å; E332-C334 PolarHBondContact O-N 3Å; E332-C334 PolarHBondContact O-SG 3.14Å; E332-C334 VanDerWaalsContact O-SG 3.32Å; C334-L336 PolarHBondContact O-N 2.89Å
335L87.1Confident77.6Confident15 Ų1567.2 Ų67.28%0.07940%0.395CS..  trans-72-22.5-167.3-69.2175.1000116.1L283 V286 Q287 F317 L321L283-L335 HydrophobicContact CD1-CD1 4.11Å; L283-L335 HydrophobicContact CD1-CD2 4Å; L283-L335 HydrophobicContact CD1-CG 4.12Å; V286-L335 HydrophobicContact CG1-CD1 3.88Å; V286-L335 HydrophobicContact CG1-CD2 4.04Å; Q287-L335 HydrophobicContact CB-CD2 4.04Å; F317-L335 HydrophobicContact CE2-CD1 3.86Å; F317-L335 HydrophobicContact CZ-CD1 4.01Å; L321-L335 HydrophobicContact CB-CD1 4.41Å; L321-L335 HydrophobicContact CD1-CD1 4.06Å
336L91.8Very high78.1Confident2 Ų264.9 Ų64.91%0.0138%0.383CS..EExtended strand (participates in β ladder)trans-141.5131.7-168.8-63174.3000112.3E291 I294 A295 V299 L321 N325 C334 V345E291-L336 HydrophobicContact CG-CD2 3.73Å; I294-L336 HydrophobicContact CB-CD2 4.17Å; I294-L336 HydrophobicContact CG2-CD2 4.11Å; A295-L336 HydrophobicContact CB-CD2 3.74Å; V299-L336 HydrophobicContact CG2-CD1 3.68Å; L321-L336 HydrophobicContact CD1-CD1 4.23Å; N325-L336 VanDerWaalsContact CB-O 3.23Å; N325-L336 WeakPolarHBondContact CB-O 3.27Å; N325-L336 PolarHBondContact N-O 3.5Å; C334-L336 PolarHBondContact O-N 2.89Å; L336-V345 HydrophobicContact CD1-CG2 3.58Å
337S91.6Very high79Confident26 Ų2663 Ų6318%0.18238%0.38CS..EExtended strand (participates in β ladder)trans-60.2156.6170.468.20000112.3E291 S339 L340 Y341E291-S337 WeakPolarHBondContact OE1-CB 3.2Å; E291-S337 PolarHBondContact OE1-N 3.47Å; E291-S337 PolarHBondContact OE1-OG 2.95Å; S337-S339 PolarHBondContact O-N 2.86Å; S337-S339 VanDerWaalsContact O-N 3.09Å; S337-S339 PolarHBondContact OG-OG 3.21Å; S337-S339 VanDerWaalsContact OG-OG 3.06Å; S337-L340 PolarHBondContact O-N 2.85Å; S337-Y341 WeakPolarHBondContact O-CB 3.48Å; S337-Y341 PolarHBondContact O-N 3.47Å
338V91.8Very high80.7Confident42 Ų4258 Ų5826%0.25535%0.352SS..Hα-helixtrans-56.6-29.3-179.8-165.80000113N325 K326 R342N325-V338 WeakPolarHBondContact O-CG2 3.27Å; N325-V338 PolarHBondContact O-N 3.17Å; K326-V338 HydrophobicContact CG-CG2 4.09Å; V338-R342 WeakPolarHBondContact O-CB 3.35Å; V338-R342 WeakPolarHBondContact O-CG 3.36Å; V338-R342 PolarHBondContact O-N 3.22Å; V338-R342 VanDerWaalsContact O-N 3.13Å
339S92.5Very high83.3Confident81 Ų8152.1 Ų52.157%0.56631%0.312SS*.Hα-helixtrans-72.5-52.9179.454.60000111.7S337 R342 K343S337-S339 PolarHBondContact O-N 2.86Å; S337-S339 VanDerWaalsContact O-N 3.09Å; S337-S339 PolarHBondContact OG-OG 3.21Å; S337-S339 VanDerWaalsContact OG-OG 3.06Å; S339-R342 PolarHBondContact O-N 3.41Å; S339-K343 WeakPolarHBondContact O-CB 3.38Å; S339-K343 PolarHBondContact O-N 2.94Å
340L92.8Very high85.7Confident20 Ų2048.5 Ų48.511%0.10527%0.271CS..Hα-helixtrans-70.4-33.8178.9-61.5-163.9000112E291 E292 A295 S337 R342 K343 H344E291-L340 HydrophobicContact CB-CD1 4.33Å; E291-L340 HydrophobicContact CG-CD1 4Å; E291-L340 WeakPolarHBondContact OE1-CD1 3.48Å; E292-L340 HydrophobicContact CB-CD1 4Å; E292-L340 VanDerWaalsContact OE2-CD2 3.27Å; E292-L340 WeakPolarHBondContact OE2-CD2 3.23Å; A295-L340 HydrophobicContact CB-CB 4Å; A295-L340 HydrophobicContact CB-CD1 4.13Å; S337-L340 PolarHBondContact O-N 2.85Å; L340-R342 PolarHBondContact O-N 2.94Å; L340-K343 HydrophobicContact CD2-CD 3.87Å; L340-K343 PolarHBondContact O-N 3.05Å; L340-H344 WeakPolarHBondContact O-CB 3.39Å; L340-H344 PolarHBondContact O-N 3.3Å
341Y95.3Very high88.3Confident0 Ų051.6 Ų51.60%027%0.27CS..Iπ-helixtrans-57.5-47.2170.4-170.4-76.2000111.8L322 P324 S337 V345 V346 Y371 C374L322-Y341 WeakPolarHBondContact O-CE2 3.36Å; L322-Y341 PolarHBondContact O-OH 3.43Å; P324-Y341 HydrophobicContact CB-CD1 4.13Å; P324-Y341 HydrophobicContact CB-CD2 3.83Å; P324-Y341 HydrophobicContact CB-CE2 4.19Å; P324-Y341 HydrophobicContact CB-CG 3.8Å; S337-Y341 WeakPolarHBondContact O-CB 3.48Å; S337-Y341 PolarHBondContact O-N 3.47Å; Y341-V345 HydrophobicContact CD1-CB 4.11Å; Y341-V345 HydrophobicContact CD1-CG1 4.31Å; Y341-V345 HydrophobicContact CD2-CB 4.03Å; Y341-V345 HydrophobicContact CD2-CG1 4.19Å; Y341-V345 HydrophobicContact CD2-CG2 3.98Å; Y341-V345 HydrophobicContact CE1-CB 4.09Å; Y341-V345 HydrophobicContact CE1-CG1 3.78Å; Y341-V345 HydrophobicContact CE2-CB 4.05Å; Y341-V345 HydrophobicContact CE2-CG1 3.67Å; Y341-V345 HydrophobicContact CE2-CG2 4.19Å; Y341-V345 HydrophobicContact CG-CB 4.06Å; Y341-V345 HydrophobicContact CG-CG1 4.48Å; Y341-V345 HydrophobicContact CG-CG2 4.33Å; Y341-V345 VanDerWaalsContact CZ-CG1 3.42Å; Y341-V345 WeakPolarHBondContact O-CA 3.15Å; Y341-V345 VanDerWaalsContact O-CB 3.32Å; Y341-V345 WeakPolarHBondContact O-CB 3.39Å; Y341-V345 PolarHBondContact O-N 3.42Å; Y341-V346 HydrophobicContact CD1-CG2 4.14Å; Y341-V346 HydrophobicContact CE1-CG2 4.02Å; Y341-V346 PolarHBondContact O-N 2.89Å; Y341-V346 VanDerWaalsContact O-N 3.13Å; Y341-Y371 WeakPolarHBondContact OH-CB 3.16Å; Y341-C374 HydrophobicContact CD1-CB 4.06Å; Y341-C374 HydrophobicContact CE1-CB 3.9Å
342R95.1Very high90.7Very high129 Ų12945.8 Ų45.849%0.48723%0.228SC..Iπ-helixtrans-68.4-35.7176.5-81.4179.7164.3154.93113.2V338 S339 L340 V346 E373 C374V338-R342 WeakPolarHBondContact O-CB 3.35Å; V338-R342 WeakPolarHBondContact O-CG 3.36Å; V338-R342 PolarHBondContact O-N 3.22Å; V338-R342 VanDerWaalsContact O-N 3.13Å; S339-R342 PolarHBondContact O-N 3.41Å; L340-R342 PolarHBondContact O-N 2.94Å; R342-V346 HydrophobicContact CG-CG2 4.48Å; R342-E373 PolarHBondContact NH2-O 3.02Å; R342-C374 HydrophobicContact CG-CB 4.29Å; R342-C374 PolarHBondContact NE-O 3.4Å
343K95Very high92.6Very high109 Ų10939.7 Ų39.747%0.47420%0.199SC..Iπ-helixtrans-67-40.9177.7-176.8-175.8171.4-165.60112.2E292 S339 L340 P347E292-K343 IonicContact OE1-NZ 3.94Å; E292-K343 PolarHBondContact OE1-NZ 3.41Å; E292-K343 IonicContact OE2-NZ 3.95Å; E292-K343 PolarHBondContact OE2-NZ 3.44Å; S339-K343 WeakPolarHBondContact O-CB 3.38Å; S339-K343 PolarHBondContact O-N 2.94Å; L340-K343 HydrophobicContact CD2-CD 3.87Å; L340-K343 PolarHBondContact O-N 3.05Å; K343-P347 WeakPolarHBondContact O-CG 3.41Å
344H94.6Very high94.1Very high45 Ų4539.4 Ų39.421%0.20820%0.196CC..Iπ-helixtrans-121.5-37.3-165.1-66-67.6000115.7E292 A295 T296 L340 Q348E292-H344 IonicContact OE1-CD2 2.72Å; E292-H344 IonicContact OE1-CE1 3.03Å; E292-H344 CovalentContact OE1-NE2 1.81Å; E292-H344 IonicContact OE1-NE2 2.71Å; E292-H344 PolarHBondContact OE1-NE2 3.32Å; E292-H344 IonicContact OE2-NE2 3.17Å; A295-H344 HydrophobicContact CB-CB 4.15Å; A295-H344 WeakPolarHBondContact CB-CD2 3.3Å; A295-H344 VanDerWaalsContact O-CB 3.28Å; A295-H344 WeakPolarHBondContact O-CB 3.37Å; T296-H344 WeakPolarHBondContact CG2-CE1 3.34Å; T296-H344 WeakPolarHBondContact CG2-NE2 3.48Å; L340-H344 WeakPolarHBondContact O-CB 3.39Å; L340-H344 PolarHBondContact O-N 3.3Å; H344-Q348 WeakPolarHBondContact O-CG 3.46Å
345V96.8Very high95Very high0 Ų040.4 Ų40.40%020%0.202CC..Iπ-helixtrans-80.4-50.3-179.6170.70000111.4V299 L303 L336 Y341 Q348 L349V299-V345 HydrophobicContact CG1-CG2 3.81Å; V299-V345 HydrophobicContact CG2-CG2 3.92Å; L303-V345 HydrophobicContact CD1-CB 4.27Å; L303-V345 HydrophobicContact CD1-CG1 3.73Å; L303-V345 HydrophobicContact CD1-CG2 4.24Å; L336-V345 HydrophobicContact CD1-CG2 3.58Å; Y341-V345 HydrophobicContact CD1-CB 4.11Å; Y341-V345 HydrophobicContact CD1-CG1 4.31Å; Y341-V345 HydrophobicContact CD2-CB 4.03Å; Y341-V345 HydrophobicContact CD2-CG1 4.19Å; Y341-V345 HydrophobicContact CD2-CG2 3.98Å; Y341-V345 HydrophobicContact CE1-CB 4.09Å; Y341-V345 HydrophobicContact CE1-CG1 3.78Å; Y341-V345 HydrophobicContact CE2-CB 4.05Å; Y341-V345 HydrophobicContact CE2-CG1 3.67Å; Y341-V345 HydrophobicContact CE2-CG2 4.19Å; Y341-V345 HydrophobicContact CG-CB 4.06Å; Y341-V345 HydrophobicContact CG-CG1 4.48Å; Y341-V345 HydrophobicContact CG-CG2 4.33Å; Y341-V345 VanDerWaalsContact CZ-CG1 3.42Å; Y341-V345 WeakPolarHBondContact O-CA 3.15Å; Y341-V345 VanDerWaalsContact O-CB 3.32Å; Y341-V345 WeakPolarHBondContact O-CB 3.39Å; Y341-V345 PolarHBondContact O-N 3.42Å; V345-Q348 PolarHBondContact O-N 3.3Å; V345-L349 HydrophobicContact CG1-CD1 3.82Å; V345-L349 HydrophobicContact CG1-CD2 4.49Å; V345-L349 HydrophobicContact CG1-CG 3.94Å; V345-L349 PolarHBondContact O-N 3.37Å
346V96.8Very high95.4Very high6 Ų645.8 Ų45.84%0.03623%0.231CC..Hα-helixtrans-52.3-44.2-178.2163.80000113.1Y341 R342 Q348 L349 L350 C374 F375Y341-V346 HydrophobicContact CD1-CG2 4.14Å; Y341-V346 HydrophobicContact CE1-CG2 4.02Å; Y341-V346 PolarHBondContact O-N 2.89Å; Y341-V346 VanDerWaalsContact O-N 3.13Å; R342-V346 HydrophobicContact CG-CG2 4.48Å; V346-Q348 VanDerWaalsContact C-N 3.29Å; V346-Q348 PolarHBondContact O-N 3.21Å; V346-L349 PolarHBondContact O-N 2.86Å; V346-L350 HydrophobicContact CG1-CD1 4.04Å; V346-L350 WeakPolarHBondContact O-CG 3.39Å; V346-L350 PolarHBondContact O-N 2.94Å; V346-C374 HydrophobicContact CG2-CB 3.86Å; V346-F375 HydrophobicContact CG1-CD1 3.67Å; V346-F375 HydrophobicContact CG1-CE1 3.89Å; V346-F375 HydrophobicContact CG2-CD1 4.41Å; V346-F375 HydrophobicContact CG2-CE1 4.46Å
347P96.4Very high95.6Very high50 Ų5049.4 Ų49.433%0.32525%0.248SC..Hα-helixtrans-64.9-24.2175.8-25.637000115.3K343 K351K343-P347 WeakPolarHBondContact O-CG 3.41Å; P347-K351 WeakPolarHBondContact O-CE 3.48Å; P347-K351 WeakPolarHBondContact O-CG 3.43Å
348Q97.1Very high95.8Very high32 Ų3252.8 Ų52.815%0.1526%0.261CS..Hα-helixtrans-81.3-39.5172.3-45-55.1-7.100110.9V299 L303 H344 V345 V346 L350 K351 L352V299-Q348 HydrophobicContact CG1-CG 4.13Å; L303-Q348 HydrophobicContact CB-CB 4.04Å; L303-Q348 HydrophobicContact CB-CG 4.5Å; L303-Q348 HydrophobicContact CD1-CB 4.01Å; L303-Q348 HydrophobicContact CD1-CG 4.37Å; H344-Q348 WeakPolarHBondContact O-CG 3.46Å; V345-Q348 PolarHBondContact O-N 3.3Å; V346-Q348 VanDerWaalsContact C-N 3.29Å; V346-Q348 PolarHBondContact O-N 3.21Å; Q348-L350 VanDerWaalsContact C-N 3.28Å; Q348-L350 PolarHBondContact O-N 3.4Å; Q348-K351 WeakPolarHBondContact O-CA 3.45Å; Q348-K351 WeakPolarHBondContact O-CB 3.38Å; Q348-K351 PolarHBondContact O-N 2.85Å; Q348-L352 PolarHBondContact O-N 3.08Å
349L97.8Very high96Very high0 Ų054.2 Ų54.20%027%0.265CS..Hα-helixtrans-57.5-42173.7-61179.1000111.2L322 V345 V346 K351 L352 F353 L364 Y371 F375L322-L349 HydrophobicContact CD2-CD2 3.74Å; V345-L349 HydrophobicContact CG1-CD1 3.82Å; V345-L349 HydrophobicContact CG1-CD2 4.49Å; V345-L349 HydrophobicContact CG1-CG 3.94Å; V345-L349 PolarHBondContact O-N 3.37Å; V346-L349 PolarHBondContact O-N 2.86Å; L349-K351 PolarHBondContact O-N 3.12Å; L349-K351 VanDerWaalsContact O-N 3.17Å; L349-L352 PolarHBondContact O-N 3.17Å; L349-F353 WeakPolarHBondContact O-CD2 3.4Å; L349-F353 PolarHBondContact O-N 3.4Å; L349-L364 HydrophobicContact CD2-CD2 3.77Å; L349-Y371 HydrophobicContact CD1-CD2 3.65Å; L349-Y371 HydrophobicContact CD1-CE2 3.84Å; L349-Y371 HydrophobicContact CD1-CG 4.08Å; L349-F375 HydrophobicContact CB-CE1 4.25Å; L349-F375 HydrophobicContact CB-CZ 4.06Å; L349-F375 HydrophobicContact CD1-CZ 4.15Å
350L97.7Very high96.2Very high17 Ų1750.4 Ų50.49%0.08924%0.238CC..Hα-helixtrans-63.5-15.8174.2-72.6167.9000114.8V346 Q348 K354 F375 E379 Q383 I384V346-L350 HydrophobicContact CG1-CD1 4.04Å; V346-L350 WeakPolarHBondContact O-CG 3.39Å; V346-L350 PolarHBondContact O-N 2.94Å; Q348-L350 VanDerWaalsContact C-N 3.28Å; Q348-L350 PolarHBondContact O-N 3.4Å; L350-K354 VanDerWaalsContact O-CD 3.29Å; L350-K354 WeakPolarHBondContact O-CD 3.41Å; L350-K354 WeakPolarHBondContact O-CE 3.36Å; L350-K354 PolarHBondContact O-NZ 2.92Å; L350-K354 VanDerWaalsContact O-NZ 3.16Å; L350-F375 HydrophobicContact CD2-CD1 4.38Å; L350-F375 HydrophobicContact CD2-CE1 4.18Å; L350-F375 HydrophobicContact CG-CD1 4.46Å; L350-F375 HydrophobicContact CG-CE1 4.08Å; L350-E379 HydrophobicContact CD1-CG 4.24Å; L350-E379 WeakPolarHBondContact CD1-OE1 3.48Å; L350-E379 HydrophobicContact CD2-CB 4.26Å; L350-E379 HydrophobicContact CD2-CG 4.45Å; L350-Q383 HydrophobicContact CD2-CB 3.86Å; L350-I384 HydrophobicContact CD2-CD1 3.77Å; L350-I384 HydrophobicContact CD2-CG1 4.23Å
351K96.9Very high96.5Very high118 Ų11850 Ų5051%0.51324%0.235SC..Hα-helixtrans-90.9-48.2169.9-61.7166.4-164.1169.90110.3P347 Q348 L349 F353 K354 V355P347-K351 WeakPolarHBondContact O-CE 3.48Å; P347-K351 WeakPolarHBondContact O-CG 3.43Å; Q348-K351 WeakPolarHBondContact O-CA 3.45Å; Q348-K351 WeakPolarHBondContact O-CB 3.38Å; Q348-K351 PolarHBondContact O-N 2.85Å; L349-K351 PolarHBondContact O-N 3.12Å; L349-K351 VanDerWaalsContact O-N 3.17Å; K351-F353 VanDerWaalsContact C-N 3.31Å; K351-F353 PolarHBondContact O-N 3.33Å; K351-K354 WeakPolarHBondContact O-CA 3.17Å; K351-K354 WeakPolarHBondContact O-CB 3.42Å; K351-K354 PolarHBondContact O-N 3.25Å; K351-V355 PolarHBondContact O-N 2.91Å
352L97.6Very high96.6Very high12 Ų1252.3 Ų52.36%0.06325%0.246CC..Hα-helixtrans-60.3-36.1-179.7-67.5176000112.7L303 F308 Q348 L349 K354 V355 V360 L364L303-L352 HydrophobicContact CB-CD1 4.05Å; F308-L352 HydrophobicContact CE1-CD1 4.12Å; F308-L352 HydrophobicContact CE2-CD1 4.08Å; F308-L352 HydrophobicContact CZ-CD1 3.72Å; Q348-L352 PolarHBondContact O-N 3.08Å; L349-L352 PolarHBondContact O-N 3.17Å; L352-K354 PolarHBondContact O-N 3.02Å; L352-V355 WeakPolarHBondContact O-CB 3.44Å; L352-V355 PolarHBondContact O-N 3.15Å; L352-V360 HydrophobicContact CB-CG1 4.18Å; L352-V360 HydrophobicContact CD2-CG1 4.26Å; L352-L364 HydrophobicContact CB-CD1 3.96Å; L352-L364 HydrophobicContact CB-CD2 4.34Å
353F97.8Very high96.7Very high1 Ų146.7 Ų46.70%0.00423%0.226CC..THydrogen-bonded Turntrans-62.2-20.8172.9-93.6-78.3000113.9L349 K351 R361 L364 L365 I368 Y371 I384 Q387 V388L349-F353 WeakPolarHBondContact O-CD2 3.4Å; L349-F353 PolarHBondContact O-N 3.4Å; K351-F353 VanDerWaalsContact C-N 3.31Å; K351-F353 PolarHBondContact O-N 3.33Å; F353-R361 PolarHBondContact O-NH2 3.03Å; F353-L364 HydrophobicContact CD1-CD1 4.18Å; F353-L364 HydrophobicContact CD2-CD1 3.91Å; F353-L364 HydrophobicContact CD2-CD2 4.23Å; F353-L364 HydrophobicContact CE1-CB 4.21Å; F353-L364 HydrophobicContact CE1-CD1 4.36Å; F353-L364 HydrophobicContact CE2-CB 4.11Å; F353-L364 HydrophobicContact CE2-CD1 4.11Å; F353-L364 HydrophobicContact CE2-CD2 3.95Å; F353-L364 HydrophobicContact CE2-CG 4.29Å; F353-L364 HydrophobicContact CG-CD1 3.95Å; F353-L364 HydrophobicContact CZ-CB 3.83Å; F353-L364 HydrophobicContact CZ-CD1 4.33Å; F353-L364 HydrophobicContact CZ-CG 4.47Å; F353-L365 HydrophobicContact CE1-CD2 4.23Å; F353-I368 HydrophobicContact CZ-CD1 4.13Å; F353-Y371 HydrophobicContact CE2-CE2 4.05Å; F353-Y371 VanDerWaalsContact CE2-OH 3.31Å; F353-Y371 WeakPolarHBondContact CE2-OH 3.22Å; F353-Y371 WeakPolarHBondContact CZ-OH 3.35Å; F353-I384 HydrophobicContact CB-CD1 4.26Å; F353-I384 HydrophobicContact CD1-CG2 4.48Å; F353-I384 HydrophobicContact CD2-CD1 3.51Å; F353-I384 HydrophobicContact CE1-CG2 4.21Å; F353-I384 HydrophobicContact CE2-CD1 3.95Å; F353-I384 HydrophobicContact CE2-CG2 4.47Å; F353-I384 HydrophobicContact CG-CD1 3.87Å; F353-I384 HydrophobicContact CZ-CG2 4.2Å; F353-Q387 HydrophobicContact CB-CB 4.31Å; F353-Q387 HydrophobicContact CB-CG 4.42Å; F353-Q387 HydrophobicContact CD1-CB 4.27Å; F353-Q387 WeakPolarHBondContact O-CB 3.36Å; F353-Q387 WeakPolarHBondContact O-CG 3.33Å; F353-Q387 PolarHBondContact O-OE1 3.4Å; F353-V388 HydrophobicContact CD1-CG2 4.46Å; F353-V388 HydrophobicContact CE1-CG2 3.87Å
354K96.8Very high96.8Very high101 Ų10141.5 Ų41.544%0.43920%0.203SC..THydrogen-bonded Turntrans-91.4-4.4176.3-59.8167-175.2156.40112.4L350 K351 L352 Q387L350-K354 VanDerWaalsContact O-CD 3.29Å; L350-K354 WeakPolarHBondContact O-CD 3.41Å; L350-K354 WeakPolarHBondContact O-CE 3.36Å; L350-K354 PolarHBondContact O-NZ 2.92Å; L350-K354 VanDerWaalsContact O-NZ 3.16Å; K351-K354 WeakPolarHBondContact O-CA 3.17Å; K351-K354 WeakPolarHBondContact O-CB 3.42Å; K351-K354 PolarHBondContact O-N 3.25Å; L352-K354 PolarHBondContact O-N 3.02Å; K354-Q387 HydrophobicContact CG-CG 4.49Å
355V96.3Very high97Very high43 Ų4339.4 Ų39.426%0.26119%0.194SC..  trans-80.9131.8170.4-177.50000108.1K351 L352 E357 R361K351-V355 PolarHBondContact O-N 2.91Å; L352-V355 WeakPolarHBondContact O-CB 3.44Å; L352-V355 PolarHBondContact O-N 3.15Å; V355-E357 HydrophobicContact CG1-CB 3.86Å; V355-E357 VanDerWaalsContact CG1-CD 3.44Å; V355-E357 HydrophobicContact CG1-CG 3.65Å; V355-E357 WeakPolarHBondContact CG1-OE1 3.48Å; V355-E357 PolarHBondContact O-N 3.25Å; V355-R361 PolarHBondContact O-NH2 2.69Å
356N95.1Very high97Very high127 Ų12741.3 Ų41.368%0.67921%0.209SC*.  trans-101.553-179.2-67.2-32.5000110.7R361N356-R361 PolarHBondContact OD1-NH2 2.8Å
357E96.3Very high97Very high79 Ų7942.7 Ų42.737%0.36922%0.215SC..  trans-109.3130.8174.6-76.5166.9-14000108.5V355 H359 V360 R361V355-E357 HydrophobicContact CG1-CB 3.86Å; V355-E357 VanDerWaalsContact CG1-CD 3.44Å; V355-E357 HydrophobicContact CG1-CG 3.65Å; V355-E357 WeakPolarHBondContact CG1-OE1 3.48Å; V355-E357 PolarHBondContact O-N 3.25Å; E357-H359 IonicContact OE2-CE1 3.94Å; E357-H359 PolarHBondContact OE2-CE1 3.26Å; E357-H359 IonicContact OE2-NE2 2.73Å; E357-H359 PolarHBondContact OE2-NE2 2.76Å; E357-H359 VanDerWaalsContact OE2-NE2 3.09Å; E357-V360 HydrophobicContact CB-CB 4Å; E357-V360 HydrophobicContact CB-CG2 3.7Å; E357-V360 PolarHBondContact O-N 3.31Å; E357-V360 VanDerWaalsContact OE2-CG2 3.28Å; E357-V360 WeakPolarHBondContact OE2-CG2 3.04Å; E357-R361 PolarHBondContact O-N 2.98Å
358E95.8Very high97Very high97 Ų9740.4 Ų40.445%0.45320%0.2SC..Hα-helixtrans-61.7-49.3-173.5-167.5-161.9105.300111.7V360 R361 M362 N396 L399E358-V360 VanDerWaalsContact C-N 3.34Å; E358-V360 PolarHBondContact O-N 3.1Å; E358-R361 PolarHBondContact O-N 3.3Å; E358-R361 VanDerWaalsContact O-N 3.15Å; E358-M362 HydrophobicContact CG-CG 4.36Å; E358-M362 WeakPolarHBondContact O-CB 3.29Å; E358-M362 WeakPolarHBondContact O-CG 3.27Å; E358-M362 PolarHBondContact O-N 3.02Å; E358-N396 PolarHBondContact OE1-ND2 2.87Å; E358-N396 PolarHBondContact OE2-ND2 2.62Å; E358-L399 HydrophobicContact CG-CD2 4.31Å
359H95.9Very high96.9Very high72 Ų7243.9 Ų43.933%0.33322%0.216SC..Hα-helixtrans-60.6-42.9179.658.5-74.8000111.7G305 E357 R361 M362 V363G305-H359 PolarHBondContact O-NE2 3.46Å; E357-H359 IonicContact OE2-CE1 3.94Å; E357-H359 PolarHBondContact OE2-CE1 3.26Å; E357-H359 IonicContact OE2-NE2 2.73Å; E357-H359 PolarHBondContact OE2-NE2 2.76Å; E357-H359 VanDerWaalsContact OE2-NE2 3.09Å; H359-R361 VanDerWaalsContact C-N 3.35Å; H359-R361 PolarHBondContact O-N 3.35Å; H359-M362 PolarHBondContact O-N 3.26Å; H359-V363 WeakPolarHBondContact O-CG2 3.42Å; H359-V363 PolarHBondContact O-N 2.73Å
360V97.5Very high96.7Very high0 Ų045.4 Ų45.40%023%0.226CC..Hα-helixtrans-59.9-46.8175.1-178.40000110.5F308 L352 E357 E358 L364F308-V360 HydrophobicContact CB-CG2 4.13Å; F308-V360 HydrophobicContact CD2-CG1 4.11Å; L352-V360 HydrophobicContact CB-CG1 4.18Å; L352-V360 HydrophobicContact CD2-CG1 4.26Å; E357-V360 HydrophobicContact CB-CB 4Å; E357-V360 HydrophobicContact CB-CG2 3.7Å; E357-V360 PolarHBondContact O-N 3.31Å; E357-V360 VanDerWaalsContact OE2-CG2 3.28Å; E357-V360 WeakPolarHBondContact OE2-CG2 3.04Å; E358-V360 VanDerWaalsContact C-N 3.34Å; E358-V360 PolarHBondContact O-N 3.1Å; V360-L364 HydrophobicContact CG1-CD1 3.99Å; V360-L364 HydrophobicContact CG1-CG 4.46Å; V360-L364 WeakPolarHBondContact O-CB 3.28Å; V360-L364 VanDerWaalsContact O-CG 3.24Å; V360-L364 WeakPolarHBondContact O-CG 3.44Å; V360-L364 PolarHBondContact O-N 3.44Å
361R97.5Very high96.6Very high12 Ų1244.7 Ų44.75%0.04522%0.222CC..Hα-helixtrans-65.3-43.2179.6-1646657.580.65.1111.5F353 V355 N356 E357 E358 H359 V363 L364 L365 Q387 L399F353-R361 PolarHBondContact O-NH2 3.03Å; V355-R361 PolarHBondContact O-NH2 2.69Å; N356-R361 PolarHBondContact OD1-NH2 2.8Å; E357-R361 PolarHBondContact O-N 2.98Å; E358-R361 PolarHBondContact O-N 3.3Å; E358-R361 VanDerWaalsContact O-N 3.15Å; H359-R361 VanDerWaalsContact C-N 3.35Å; H359-R361 PolarHBondContact O-N 3.35Å; R361-V363 PolarHBondContact O-N 3.16Å; R361-L364 PolarHBondContact O-N 3.45Å; R361-L365 HydrophobicContact CG-CD1 3.94Å; R361-L365 HydrophobicContact CG-CG 4.24Å; R361-L365 WeakPolarHBondContact O-CB 3.3Å; R361-L365 VanDerWaalsContact O-CG 3.22Å; R361-L365 WeakPolarHBondContact O-CG 3.29Å; R361-L365 PolarHBondContact O-N 2.94Å; R361-Q387 PolarHBondContact NH1-O 3.43Å; R361-L399 HydrophobicContact CB-CD1 4Å; R361-L399 HydrophobicContact CG-CD1 3.75Å
362M97.5Very high96.6Very high49 Ų4939.1 Ų39.124%0.24120%0.198CC..Hα-helixtrans-58.7-48.1177.6-76.4-65.5-79.700112.1E358 H359 L365 A366 L399 M402E358-M362 HydrophobicContact CG-CG 4.36Å; E358-M362 WeakPolarHBondContact O-CB 3.29Å; E358-M362 WeakPolarHBondContact O-CG 3.27Å; E358-M362 PolarHBondContact O-N 3.02Å; H359-M362 PolarHBondContact O-N 3.26Å; M362-L365 PolarHBondContact O-N 3.28Å; M362-A366 WeakPolarHBondContact O-CB 3.39Å; M362-A366 PolarHBondContact O-N 3.15Å; M362-L399 HydrophobicContact CG-CD1 3.95Å; M362-L399 HydrophobicContact SD-CB 4.07Å; M362-L399 HydrophobicContact SD-CD1 3.62Å; M362-L399 HydrophobicContact SD-CG 4.48Å; M362-M402 HydrophobicContact CE-CG 3.91Å; M362-M402 HydrophobicContact SD-CB 4.18Å; M362-M402 HydrophobicContact SD-CG 3.98Å
363V97.6Very high96.5Very high10 Ų1042.3 Ų42.36%0.06121%0.212CC..Hα-helixtrans-63.5-44.1177.9175.20000111.4F308 V314 L318 L322 H359 R361 A366 H367F308-V363 HydrophobicContact CD2-CB 3.73Å; F308-V363 HydrophobicContact CD2-CG1 3.63Å; F308-V363 HydrophobicContact CD2-CG2 4.4Å; F308-V363 HydrophobicContact CE2-CB 4.09Å; F308-V363 HydrophobicContact CE2-CG1 3.62Å; F308-V363 HydrophobicContact CG-CG1 4.39Å; F308-V363 HydrophobicContact CZ-CG1 4.37Å; V314-V363 HydrophobicContact CB-CG2 4.44Å; V314-V363 HydrophobicContact CG1-CG2 3.8Å; V314-V363 HydrophobicContact CG2-CG2 3.71Å; L318-V363 HydrophobicContact CD1-CG1 3.99Å; L322-V363 HydrophobicContact CD1-CG1 4.35Å; H359-V363 WeakPolarHBondContact O-CG2 3.42Å; H359-V363 PolarHBondContact O-N 2.73Å; R361-V363 PolarHBondContact O-N 3.16Å; V363-A366 PolarHBondContact O-N 2.78Å; V363-H367 PolarHBondContact O-CD2 2.66Å; V363-H367 PolarHBondContact O-N 3.11Å
364L98Very high96.4Very high0 Ų042.5 Ų42.50%021%0.214CC..Hα-helixtrans-59.4-49.6176.1-72.6171.8000111.8F308 L349 L352 F353 V360 R361 H367 I368 Y371F308-L364 HydrophobicContact CE2-CD2 4.07Å; F308-L364 HydrophobicContact CE2-CG 4.17Å; L349-L364 HydrophobicContact CD2-CD2 3.77Å; L352-L364 HydrophobicContact CB-CD1 3.96Å; L352-L364 HydrophobicContact CB-CD2 4.34Å; F353-L364 HydrophobicContact CD1-CD1 4.18Å; F353-L364 HydrophobicContact CD2-CD1 3.91Å; F353-L364 HydrophobicContact CD2-CD2 4.23Å; F353-L364 HydrophobicContact CE1-CB 4.21Å; F353-L364 HydrophobicContact CE1-CD1 4.36Å; F353-L364 HydrophobicContact CE2-CB 4.11Å; F353-L364 HydrophobicContact CE2-CD1 4.11Å; F353-L364 HydrophobicContact CE2-CD2 3.95Å; F353-L364 HydrophobicContact CE2-CG 4.29Å; F353-L364 HydrophobicContact CG-CD1 3.95Å; F353-L364 HydrophobicContact CZ-CB 3.83Å; F353-L364 HydrophobicContact CZ-CD1 4.33Å; F353-L364 HydrophobicContact CZ-CG 4.47Å; V360-L364 HydrophobicContact CG1-CD1 3.99Å; V360-L364 HydrophobicContact CG1-CG 4.46Å; V360-L364 WeakPolarHBondContact O-CB 3.28Å; V360-L364 VanDerWaalsContact O-CG 3.24Å; V360-L364 WeakPolarHBondContact O-CG 3.44Å; V360-L364 PolarHBondContact O-N 3.44Å; R361-L364 PolarHBondContact O-N 3.45Å; L364-H367 PolarHBondContact O-N 2.66Å; L364-I368 PolarHBondContact O-N 3.32Å; L364-I368 VanDerWaalsContact O-N 3.08Å; L364-Y371 PolarHBondContact O-OH 3.09Å
365L97.9Very high96.3Very high2 Ų238.2 Ų38.21%0.0120%0.196CC..Hα-helixtrans-66.9-38.4-178.2-66.3179.7000112F353 R361 M362 H367 I368 V388 L399 M402 T403 S406F353-L365 HydrophobicContact CE1-CD2 4.23Å; R361-L365 HydrophobicContact CG-CD1 3.94Å; R361-L365 HydrophobicContact CG-CG 4.24Å; R361-L365 WeakPolarHBondContact O-CB 3.3Å; R361-L365 VanDerWaalsContact O-CG 3.22Å; R361-L365 WeakPolarHBondContact O-CG 3.29Å; R361-L365 PolarHBondContact O-N 2.94Å; M362-L365 PolarHBondContact O-N 3.28Å; L365-H367 VanDerWaalsContact C-N 3.32Å; L365-H367 PolarHBondContact O-N 3.22Å; L365-I368 VanDerWaalsContact O-CG2 3.24Å; L365-I368 WeakPolarHBondContact O-CG2 3.28Å; L365-I368 PolarHBondContact O-N 2.77Å; L365-V388 HydrophobicContact CD2-CG1 4.17Å; L365-V388 HydrophobicContact CD2-CG2 3.97Å; L365-L399 HydrophobicContact CD1-CD1 3.82Å; L365-M402 HydrophobicContact CB-CB 4.31Å; L365-M402 HydrophobicContact CD1-CB 4.34Å; L365-T403 WeakPolarHBondContact CD1-OG1 3.48Å; L365-S406 WeakPolarHBondContact CB-OG 3.42Å; L365-S406 WeakPolarHBondContact CD2-OG 3.22Å; L365-S406 PolarHBondContact O-OG 3.43Å
366A96.7Very high96.3Very high39 Ų3938.8 Ų38.832%0.32220%0.201SC..Hα-helixtrans-56.7-43.9175.900000112.5M362 V363 H369 M402M362-A366 WeakPolarHBondContact O-CB 3.39Å; M362-A366 PolarHBondContact O-N 3.15Å; V363-A366 PolarHBondContact O-N 2.78Å; A366-H369 PolarHBondContact O-CE1 2.87Å; A366-H369 PolarHBondContact O-ND1 3.29Å; A366-M402 HydrophobicContact CB-CE 4.2Å
367H96.3Very high96.4Very high35 Ų3539.2 Ų39.216%0.16220%0.199CC..Hα-helixtrans-93.60.7-177.6-65.4-71.6000114.8L322 V363 L364 L365 H369 V370 Y371L322-H367 HydrophobicContact CB-CB 4.5Å; L322-H367 HydrophobicContact CD1-CB 3.91Å; V363-H367 PolarHBondContact O-CD2 2.66Å; V363-H367 PolarHBondContact O-N 3.11Å; L364-H367 PolarHBondContact O-N 2.66Å; L365-H367 VanDerWaalsContact C-N 3.32Å; L365-H367 PolarHBondContact O-N 3.22Å; H367-H369 PolarHBondContact O-N 2.99Å; H367-V370 VanDerWaalsContact O-CB 3.3Å; H367-V370 WeakPolarHBondContact O-CB 3.31Å; H367-V370 WeakPolarHBondContact O-CG2 3.39Å; H367-V370 PolarHBondContact O-N 3.43Å; H367-Y371 HydrophobicContact CB-CD1 4.24Å; H367-Y371 HydrophobicContact CB-CE1 3.87Å; H367-Y371 WeakPolarHBondContact O-CD1 3.33Å; H367-Y371 VanDerWaalsContact O-CE1 3.27Å; H367-Y371 WeakPolarHBondContact O-CE1 3.32Å
368I97.1Very high96.4Very high2 Ų240 Ų401%0.0121%0.206CC..Hα-helixtrans-56.4-32.3-173.4-157.8173.8000113.3F353 L364 L365 V370 Y371 A372 I384 V388 V409 L410F353-I368 HydrophobicContact CZ-CD1 4.13Å; L364-I368 PolarHBondContact O-N 3.32Å; L364-I368 VanDerWaalsContact O-N 3.08Å; L365-I368 VanDerWaalsContact O-CG2 3.24Å; L365-I368 WeakPolarHBondContact O-CG2 3.28Å; L365-I368 PolarHBondContact O-N 2.77Å; I368-V370 PolarHBondContact O-N 3.32Å; I368-Y371 HydrophobicContact CG1-CE2 4.25Å; I368-Y371 PolarHBondContact O-N 2.79Å; I368-A372 HydrophobicContact CG1-CB 4.38Å; I368-A372 WeakPolarHBondContact O-CB 3.43Å; I368-A372 PolarHBondContact O-N 3.03Å; I368-I384 HydrophobicContact CD1-CG2 4.44Å; I368-V388 HydrophobicContact CD1-CG2 4.25Å; I368-V409 HydrophobicContact CG2-CB 4.36Å; I368-V409 HydrophobicContact CG2-CG1 4.32Å; I368-V409 HydrophobicContact CG2-CG2 4.37Å; I368-L410 HydrophobicContact CD1-CD2 4.42Å
369H95.3Very high96.5Very high105 Ų10537.7 Ų37.749%0.48620%0.195SC..Hα-helixtrans-64.9-19.6176.969.8-89.2000114.3A366 H367 V409A366-H369 PolarHBondContact O-CE1 2.87Å; A366-H369 PolarHBondContact O-ND1 3.29Å; H367-H369 PolarHBondContact O-N 2.99Å; H369-V409 HydrophobicContact CB-CG1 4.2Å; H369-V409 HydrophobicContact CB-CG2 4Å
370V94.3Very high96.6Very high33 Ų3334.5 Ų34.520%0.218%0.181CC..Hα-helixtrans-82.2-43.2178.8-172.20000110.9K323 H367 I368K323-V370 HydrophobicContact CB-CG1 3.86Å; K323-V370 HydrophobicContact CD-CG1 4.47Å; K323-V370 HydrophobicContact CG-CG1 3.82Å; H367-V370 VanDerWaalsContact O-CB 3.3Å; H367-V370 WeakPolarHBondContact O-CB 3.31Å; H367-V370 WeakPolarHBondContact O-CG2 3.39Å; H367-V370 PolarHBondContact O-N 3.43Å; I368-V370 PolarHBondContact O-N 3.32Å
371Y95.5Very high96.5Very high1 Ų139.5 Ų39.50%0.00420%0.202CC..Hα-helixtrans-114.4-5.6-166.665.8-102.4000115.7Y341 L349 F353 L364 H367 I368 E373 C374 F375Y341-Y371 WeakPolarHBondContact OH-CB 3.16Å; L349-Y371 HydrophobicContact CD1-CD2 3.65Å; L349-Y371 HydrophobicContact CD1-CE2 3.84Å; L349-Y371 HydrophobicContact CD1-CG 4.08Å; F353-Y371 HydrophobicContact CE2-CE2 4.05Å; F353-Y371 VanDerWaalsContact CE2-OH 3.31Å; F353-Y371 WeakPolarHBondContact CE2-OH 3.22Å; F353-Y371 WeakPolarHBondContact CZ-OH 3.35Å; L364-Y371 PolarHBondContact O-OH 3.09Å; H367-Y371 HydrophobicContact CB-CD1 4.24Å; H367-Y371 HydrophobicContact CB-CE1 3.87Å; H367-Y371 WeakPolarHBondContact O-CD1 3.33Å; H367-Y371 VanDerWaalsContact O-CE1 3.27Å; H367-Y371 WeakPolarHBondContact O-CE1 3.32Å; I368-Y371 HydrophobicContact CG1-CE2 4.25Å; I368-Y371 PolarHBondContact O-N 2.79Å; Y371-E373 PolarHBondContact O-N 3.28Å; Y371-E373 VanDerWaalsContact O-N 3.11Å; Y371-C374 VanDerWaalsContact O-CB 3.26Å; Y371-C374 WeakPolarHBondContact O-CB 3.35Å; Y371-C374 PolarHBondContact O-N 2.81Å; Y371-F375 HydrophobicContact CD2-CD2 4.48Å; Y371-F375 AromaticContact CD2-CE2 3.53Å; Y371-F375 HydrophobicContact CD2-CE2 3.53Å; Y371-F375 AromaticContact CD2-CZ 3.88Å; Y371-F375 HydrophobicContact CD2-CZ 3.88Å; Y371-F375 AromaticContact CE2-CE2 3.56Å; Y371-F375 HydrophobicContact CE2-CE2 3.56Å; Y371-F375 AromaticContact CE2-CZ 3.78Å; Y371-F375 HydrophobicContact CE2-CZ 3.78Å
372A96.1Very high96.5Very high2 Ų242.6 Ų42.62%0.01722%0.22CC..G310 helixtrans-57.8-29.2-178.800000114I368 C374 V409 L410 L413I368-A372 HydrophobicContact CG1-CB 4.38Å; I368-A372 WeakPolarHBondContact O-CB 3.43Å; I368-A372 PolarHBondContact O-N 3.03Å; A372-C374 PolarHBondContact O-N 2.86Å; A372-V409 HydrophobicContact CB-CG1 4.38Å; A372-L410 HydrophobicContact CB-CD2 4.5Å; A372-L413 HydrophobicContact CB-CD1 3.55Å
373E95.1Very high96.5Very high78 Ų7843.4 Ų43.436%0.36422%0.223SC..G310 helixtrans-70.4-12174.8-60.8180156.500114K326 R342 Y371 L413K326-E373 IonicContact NZ-OE2 3.25Å; K326-E373 PolarHBondContact NZ-OE2 3.03Å; R342-E373 PolarHBondContact NH2-O 3.02Å; Y371-E373 PolarHBondContact O-N 3.28Å; Y371-E373 VanDerWaalsContact O-N 3.11Å; E373-L413 HydrophobicContact CG-CD2 4.4Å
374C95.1Very high96.6Very high6 Ų642.9 Ų42.94%0.04122%0.22CC..G310 helixtrans-80.3-30.7178.8-68.40000112.7Y341 R342 V346 Y371 A372Y341-C374 HydrophobicContact CD1-CB 4.06Å; Y341-C374 HydrophobicContact CE1-CB 3.9Å; R342-C374 HydrophobicContact CG-CB 4.29Å; R342-C374 PolarHBondContact NE-O 3.4Å; V346-C374 HydrophobicContact CG2-CB 3.86Å; Y371-C374 VanDerWaalsContact O-CB 3.26Å; Y371-C374 WeakPolarHBondContact O-CB 3.35Å; Y371-C374 PolarHBondContact O-N 2.81Å; A372-C374 PolarHBondContact O-N 2.86Å
375F96.6Very high96.5Very high11 Ų1143.2 Ų43.25%0.04822%0.222CC..SBendtrans-70.8154.4173.9-58.3-68.4000112V346 L349 L350 Y371 E379 L380 I384V346-F375 HydrophobicContact CG1-CD1 3.67Å; V346-F375 HydrophobicContact CG1-CE1 3.89Å; V346-F375 HydrophobicContact CG2-CD1 4.41Å; V346-F375 HydrophobicContact CG2-CE1 4.46Å; L349-F375 HydrophobicContact CB-CE1 4.25Å; L349-F375 HydrophobicContact CB-CZ 4.06Å; L349-F375 HydrophobicContact CD1-CZ 4.15Å; L350-F375 HydrophobicContact CD2-CD1 4.38Å; L350-F375 HydrophobicContact CD2-CE1 4.18Å; L350-F375 HydrophobicContact CG-CD1 4.46Å; L350-F375 HydrophobicContact CG-CE1 4.08Å; Y371-F375 HydrophobicContact CD2-CD2 4.48Å; Y371-F375 AromaticContact CD2-CE2 3.53Å; Y371-F375 HydrophobicContact CD2-CE2 3.53Å; Y371-F375 AromaticContact CD2-CZ 3.88Å; Y371-F375 HydrophobicContact CD2-CZ 3.88Å; Y371-F375 AromaticContact CE2-CE2 3.56Å; Y371-F375 HydrophobicContact CE2-CE2 3.56Å; Y371-F375 AromaticContact CE2-CZ 3.78Å; Y371-F375 HydrophobicContact CE2-CZ 3.78Å; F375-E379 HydrophobicContact CB-CB 4.24Å; F375-E379 HydrophobicContact CD1-CB 4.45Å; F375-L380 HydrophobicContact CB-CD2 3.87Å; F375-L380 HydrophobicContact CB-CG 3.74Å; F375-L380 HydrophobicContact CD2-CD2 3.54Å; F375-L380 HydrophobicContact CD2-CG 4.38Å; F375-L380 HydrophobicContact CE2-CD2 4.41Å; F375-L380 HydrophobicContact CG-CD2 4.05Å; F375-L380 HydrophobicContact CG-CG 4.45Å; F375-I384 HydrophobicContact CD1-CD1 4.47Å; F375-I384 HydrophobicContact CD1-CG1 4.37Å; F375-I384 HydrophobicContact CD2-CG1 4.27Å; F375-I384 HydrophobicContact CE1-CD1 3.85Å; F375-I384 HydrophobicContact CE1-CG1 4.21Å; F375-I384 HydrophobicContact CE2-CD1 4.08Å; F375-I384 HydrophobicContact CE2-CG1 4.07Å; F375-I384 HydrophobicContact CG-CG1 4.41Å; F375-I384 HydrophobicContact CZ-CD1 3.62Å; F375-I384 HydrophobicContact CZ-CG1 4.06Å
376S96.3Very high96.5Very high54 Ų5445.9 Ų45.938%0.37824%0.239SC..  trans-71.2160.5162.668.80000111.7D378 E379 L380S376-D378 PolarHBondContact O-N 3Å; S376-E379 WeakPolarHBondContact CB-OE2 2.9Å; S376-E379 PolarHBondContact N-OE2 2.87Å; S376-E379 PolarHBondContact O-N 2.85Å; S376-E379 VanDerWaalsContact OG-CD 3.31Å; S376-E379 WeakPolarHBondContact OG-CG 3.48Å; S376-E379 PolarHBondContact OG-N 3.09Å; S376-E379 PolarHBondContact OG-OE2 3.07Å; S376-L380 WeakPolarHBondContact O-CB 3.35Å; S376-L380 WeakPolarHBondContact O-CG 3.4Å; S376-L380 PolarHBondContact O-N 3.46Å
377Q95.8Very high96.6Very high137 Ų13746.1 Ų46.164%0.6423%0.233SC*.Hα-helixtrans-61.5-26.7173-79.1-169.5-31.900113.1K381 L413 L414Q377-K381 WeakPolarHBondContact O-CB 3.3Å; Q377-K381 PolarHBondContact O-N 3.39Å; Q377-L413 PolarHBondContact NE2-O 2.85Å; Q377-L414 HydrophobicContact CB-CD2 4.47Å
378D96.9Very high96.6Very high96 Ų9644.4 Ų44.451%0.51323%0.226SC..Hα-helixtrans-73.7-46.3178-160.582.9000111.3S376 L380 K381 N382S376-D378 PolarHBondContact O-N 3Å; D378-L380 PolarHBondContact O-N 3.37Å; D378-K381 PolarHBondContact O-N 3.43Å; D378-N382 VanDerWaalsContact O-CB 3.28Å; D378-N382 WeakPolarHBondContact O-CB 3.18Å; D378-N382 PolarHBondContact O-N 3.43Å; D378-N382 PolarHBondContact OD1-ND2 2.73Å; D378-N382 PolarHBondContact OD2-ND2 3.45Å
379E97.7Very high96.6Very high48 Ų4847.4 Ų47.422%0.22424%0.241CC..Hα-helixtrans-60.1-45.5173-70.2158.9131.100111.6L350 F375 S376 K381 Q383 I384L350-E379 HydrophobicContact CD1-CG 4.24Å; L350-E379 WeakPolarHBondContact CD1-OE1 3.48Å; L350-E379 HydrophobicContact CD2-CB 4.26Å; L350-E379 HydrophobicContact CD2-CG 4.45Å; F375-E379 HydrophobicContact CB-CB 4.24Å; F375-E379 HydrophobicContact CD1-CB 4.45Å; S376-E379 WeakPolarHBondContact CB-OE2 2.9Å; S376-E379 PolarHBondContact N-OE2 2.87Å; S376-E379 PolarHBondContact O-N 2.85Å; S376-E379 VanDerWaalsContact OG-CD 3.31Å; S376-E379 WeakPolarHBondContact OG-CG 3.48Å; S376-E379 PolarHBondContact OG-N 3.09Å; S376-E379 PolarHBondContact OG-OE2 3.07Å; E379-K381 VanDerWaalsContact C-N 3.34Å; E379-K381 PolarHBondContact O-N 3.33Å; E379-Q383 CarbonylContact O-C 3.55Å; E379-Q383 WeakPolarHBondContact O-CA 3.49Å; E379-Q383 WeakPolarHBondContact O-CB 3.2Å; E379-Q383 PolarHBondContact O-N 3.24Å; E379-I384 PolarHBondContact O-N 2.72Å
380L97.6Very high96.7Very high5 Ų546.5 Ų46.53%0.02624%0.24CC..Iπ-helixtrans-57.1-46.3175.4-77179.9000112F375 S376 D378 I384 L385 L410 L413 L414F375-L380 HydrophobicContact CB-CD2 3.87Å; F375-L380 HydrophobicContact CB-CG 3.74Å; F375-L380 HydrophobicContact CD2-CD2 3.54Å; F375-L380 HydrophobicContact CD2-CG 4.38Å; F375-L380 HydrophobicContact CE2-CD2 4.41Å; F375-L380 HydrophobicContact CG-CD2 4.05Å; F375-L380 HydrophobicContact CG-CG 4.45Å; S376-L380 WeakPolarHBondContact O-CB 3.35Å; S376-L380 WeakPolarHBondContact O-CG 3.4Å; S376-L380 PolarHBondContact O-N 3.46Å; D378-L380 PolarHBondContact O-N 3.37Å; L380-I384 HydrophobicContact CD2-CB 4.46Å; L380-I384 HydrophobicContact CD2-CG1 4.44Å; L380-L385 WeakPolarHBondContact O-CB 3.26Å; L380-L385 PolarHBondContact O-N 3.07Å; L380-L410 HydrophobicContact CD2-CD2 3.89Å; L380-L413 HydrophobicContact CD1-CB 3.96Å; L380-L413 HydrophobicContact CD1-CD1 4Å; L380-L414 HydrophobicContact CB-CD1 4.08Å; L380-L414 HydrophobicContact CB-CD2 3.77Å; L380-L414 HydrophobicContact CB-CG 4.08Å
381K96.9Very high96.7Very high104 Ų10445 Ų4545%0.45223%0.231SC..Iπ-helixtrans-76.8-44.4-174.6-179.3-169.4166-146.90113.2Q377 D378 E379 P386 L414 V418Q377-K381 WeakPolarHBondContact O-CB 3.3Å; Q377-K381 PolarHBondContact O-N 3.39Å; D378-K381 PolarHBondContact O-N 3.43Å; E379-K381 VanDerWaalsContact C-N 3.34Å; E379-K381 PolarHBondContact O-N 3.33Å; K381-P386 WeakPolarHBondContact O-CD 3.34Å; K381-L414 HydrophobicContact CB-CD1 4.38Å; K381-L414 HydrophobicContact CB-CD2 3.93Å; K381-V418 HydrophobicContact CD-CG1 4.48Å; K381-V418 HydrophobicContact CG-CG1 3.92Å
382N97.3Very high96.7Very high77 Ų7749.4 Ų49.441%0.41225%0.252SS..Iπ-helixtrans-102.1-19.4-166.5-57.3-22.5000112.9D378D378-N382 VanDerWaalsContact O-CB 3.28Å; D378-N382 WeakPolarHBondContact O-CB 3.18Å; D378-N382 PolarHBondContact O-N 3.43Å; D378-N382 PolarHBondContact OD1-ND2 2.73Å; D378-N382 PolarHBondContact OD2-ND2 3.45Å
383Q97.3Very high96.7Very high66 Ų6660.4 Ų60.431%0.30829%0.293SS..Iπ-helixtrans-117.8-48.1179.8-61.8-165.374.700113.6L350 E379 Q387L350-Q383 HydrophobicContact CD2-CB 3.86Å; E379-Q383 CarbonylContact O-C 3.55Å; E379-Q383 WeakPolarHBondContact O-CA 3.49Å; E379-Q383 WeakPolarHBondContact O-CB 3.2Å; E379-Q383 PolarHBondContact O-N 3.24Å; Q383-Q387 VanDerWaalsContact O-CG 3.32Å; Q383-Q387 WeakPolarHBondContact O-CG 3.5Å
384I98.1Very high96.8Very high0 Ų059.9 Ų59.90%029%0.293CS..Iπ-helixtrans-78.5-56.6-176.1-57-64.2000111.6L350 F353 I368 F375 E379 L380 Q387 V388L350-I384 HydrophobicContact CD2-CD1 3.77Å; L350-I384 HydrophobicContact CD2-CG1 4.23Å; F353-I384 HydrophobicContact CB-CD1 4.26Å; F353-I384 HydrophobicContact CD1-CG2 4.48Å; F353-I384 HydrophobicContact CD2-CD1 3.51Å; F353-I384 HydrophobicContact CE1-CG2 4.21Å; F353-I384 HydrophobicContact CE2-CD1 3.95Å; F353-I384 HydrophobicContact CE2-CG2 4.47Å; F353-I384 HydrophobicContact CG-CD1 3.87Å; F353-I384 HydrophobicContact CZ-CG2 4.2Å; I368-I384 HydrophobicContact CD1-CG2 4.44Å; F375-I384 HydrophobicContact CD1-CD1 4.47Å; F375-I384 HydrophobicContact CD1-CG1 4.37Å; F375-I384 HydrophobicContact CD2-CG1 4.27Å; F375-I384 HydrophobicContact CE1-CD1 3.85Å; F375-I384 HydrophobicContact CE1-CG1 4.21Å; F375-I384 HydrophobicContact CE2-CD1 4.08Å; F375-I384 HydrophobicContact CE2-CG1 4.07Å; F375-I384 HydrophobicContact CG-CG1 4.41Å; F375-I384 HydrophobicContact CZ-CD1 3.62Å; F375-I384 HydrophobicContact CZ-CG1 4.06Å; E379-I384 PolarHBondContact O-N 2.72Å; L380-I384 HydrophobicContact CD2-CB 4.46Å; L380-I384 HydrophobicContact CD2-CG1 4.44Å; I384-Q387 PolarHBondContact O-N 2.82Å; I384-V388 HydrophobicContact CG2-CG2 3.91Å; I384-V388 WeakPolarHBondContact O-CG2 3.49Å; I384-V388 PolarHBondContact O-N 2.88Å
385L97.6Very high96.9Very high7 Ų766.4 Ų66.44%0.03733%0.333CS..Hα-helixtrans-53.7-43-176.1175.665.4000113.4L380 Q387 V388 L389 L407 L410 L414 V418 V419L380-L385 WeakPolarHBondContact O-CB 3.26Å; L380-L385 PolarHBondContact O-N 3.07Å; L385-Q387 VanDerWaalsContact C-N 3.3Å; L385-Q387 PolarHBondContact O-N 2.93Å; L385-V388 PolarHBondContact O-N 3.06Å; L385-L389 HydrophobicContact CD1-CD1 3.95Å; L385-L389 HydrophobicContact CD1-CD2 4.42Å; L385-L389 HydrophobicContact CD1-CG 3.92Å; L385-L389 HydrophobicContact CG-CD1 3.9Å; L385-L389 HydrophobicContact CG-CG 4.33Å; L385-L389 WeakPolarHBondContact O-CB 3.25Å; L385-L389 VanDerWaalsContact O-CG 3.28Å; L385-L389 WeakPolarHBondContact O-CG 3.37Å; L385-L389 PolarHBondContact O-N 3.27Å; L385-L407 HydrophobicContact CD1-CD2 3.58Å; L385-L410 HydrophobicContact CB-CD1 4.41Å; L385-L410 HydrophobicContact CD1-CD1 3.99Å; L385-L414 HydrophobicContact CB-CD1 4.23Å; L385-L414 HydrophobicContact CD2-CD1 3.93Å; L385-V418 HydrophobicContact CD2-CG1 4.02Å; L385-V419 HydrophobicContact CD1-CG1 4.03Å
386P97.3Very high96.9Very high58 Ų5867.8 Ų67.838%0.37734%0.341SS..Hα-helixtrans-61.8-34.9176.5-24.936.7000113.6K381K381-P386 WeakPolarHBondContact O-CD 3.34Å
387Q97.9Very high97Very high43 Ų4371.7 Ų71.720%0.20136%0.357CS..Hα-helixtrans-76.2-36.8177.7-60.6-61.6-27.700112F353 K354 R361 Q383 I384 L385 L390F353-Q387 HydrophobicContact CB-CB 4.31Å; F353-Q387 HydrophobicContact CB-CG 4.42Å; F353-Q387 HydrophobicContact CD1-CB 4.27Å; F353-Q387 WeakPolarHBondContact O-CB 3.36Å; F353-Q387 WeakPolarHBondContact O-CG 3.33Å; F353-Q387 PolarHBondContact O-OE1 3.4Å; K354-Q387 HydrophobicContact CG-CG 4.49Å; R361-Q387 PolarHBondContact NH1-O 3.43Å; Q383-Q387 VanDerWaalsContact O-CG 3.32Å; Q383-Q387 WeakPolarHBondContact O-CG 3.5Å; I384-Q387 PolarHBondContact O-N 2.82Å; L385-Q387 VanDerWaalsContact C-N 3.3Å; L385-Q387 PolarHBondContact O-N 2.93Å; Q387-L390 WeakPolarHBondContact O-CB 3.25Å; Q387-L390 PolarHBondContact O-N 3.35Å
388V97.7Very high97Very high0 Ų068.4 Ų68.40%035%0.35CS..Hα-helixtrans-61.5-46.4172.5175.80000110.2F353 L365 I368 I384 L385 L390 G391 T403 L407 L410F353-V388 HydrophobicContact CD1-CG2 4.46Å; F353-V388 HydrophobicContact CE1-CG2 3.87Å; L365-V388 HydrophobicContact CD2-CG1 4.17Å; L365-V388 HydrophobicContact CD2-CG2 3.97Å; I368-V388 HydrophobicContact CD1-CG2 4.25Å; I384-V388 HydrophobicContact CG2-CG2 3.91Å; I384-V388 WeakPolarHBondContact O-CG2 3.49Å; I384-V388 PolarHBondContact O-N 2.88Å; L385-V388 PolarHBondContact O-N 3.06Å; V388-L390 PolarHBondContact O-N 2.97Å; V388-L390 VanDerWaalsContact O-N 3.12Å; V388-G391 PolarHBondContact O-N 2.64Å; V388-T403 HydrophobicContact CG1-CG2 4.03Å; V388-T403 WeakPolarHBondContact O-CG2 3.47Å; V388-L407 HydrophobicContact CG1-CD2 3.85Å; V388-L407 HydrophobicContact CG1-CG 4.02Å; V388-L410 HydrophobicContact CG2-CD1 4.4Å
389L96.6Very high97Very high65 Ų6564 Ų6434%0.3433%0.326SS..Hα-helixtrans-61.7-20.6-178.6-73.2169.7000114.4L385 G391 M392 L407L385-L389 HydrophobicContact CD1-CD1 3.95Å; L385-L389 HydrophobicContact CD1-CD2 4.42Å; L385-L389 HydrophobicContact CD1-CG 3.92Å; L385-L389 HydrophobicContact CG-CD1 3.9Å; L385-L389 HydrophobicContact CG-CG 4.33Å; L385-L389 WeakPolarHBondContact O-CB 3.25Å; L385-L389 VanDerWaalsContact O-CG 3.28Å; L385-L389 WeakPolarHBondContact O-CG 3.37Å; L385-L389 PolarHBondContact O-N 3.27Å; L389-G391 VanDerWaalsContact C-N 3.26Å; L389-G391 PolarHBondContact O-N 2.93Å; L389-M392 HydrophobicContact CD2-SD 3.65Å; L389-M392 WeakPolarHBondContact O-CB 3.44Å; L389-M392 PolarHBondContact O-N 3.46Å; L389-L407 HydrophobicContact CD2-CD1 4.06Å; L389-L407 HydrophobicContact CD2-CD2 3.77Å; L389-L407 HydrophobicContact CG-CD2 4.27Å
390L96.6Very high97.1Very high86 Ų8663.2 Ų63.245%0.4533%0.325SS..Hα-helixtrans-59.2-39.3172.7-61.9178.4000111.6Q387 V388 M392 R393Q387-L390 WeakPolarHBondContact O-CB 3.25Å; Q387-L390 PolarHBondContact O-N 3.35Å; V388-L390 PolarHBondContact O-N 2.97Å; V388-L390 VanDerWaalsContact O-N 3.12Å; L390-M392 PolarHBondContact O-N 3.1Å; L390-M392 VanDerWaalsContact O-N 3.1Å; L390-R393 PolarHBondContact O-N 3.22Å
391G96.2Very high97.1Very high1 Ų165.1 Ų65.11%0.0134%0.341CS..G310 helixtrans-67.3-8.8-178.600000114.6V388 L389 R393 V400 T403V388-G391 PolarHBondContact O-N 2.64Å; L389-G391 VanDerWaalsContact C-N 3.26Å; L389-G391 PolarHBondContact O-N 2.93Å; G391-R393 PolarHBondContact O-N 2.95Å; G391-V400 WeakPolarHBondContact O-CA 3.23Å; G391-V400 WeakPolarHBondContact O-CG2 3.34Å; G391-T403 WeakPolarHBondContact CA-OG1 3.13Å
392M95.5Very high97.1Very high93 Ų9362 Ų6246%0.45833%0.329SS..G310 helixtrans-76.2-9.6169.9-65.9-172.665.200113.4L389 L390 T403 L404 L407L389-M392 HydrophobicContact CD2-SD 3.65Å; L389-M392 WeakPolarHBondContact O-CB 3.44Å; L389-M392 PolarHBondContact O-N 3.46Å; L390-M392 PolarHBondContact O-N 3.1Å; L390-M392 VanDerWaalsContact O-N 3.1Å; M392-T403 HydrophobicContact CG-CG2 3.71Å; M392-L404 HydrophobicContact CE-CD2 4.13Å; M392-L407 HydrophobicContact CG-CD1 3.99Å; M392-L407 HydrophobicContact SD-CD1 3.51Å; M392-L407 VanDerWaalsContact SD-CD1 3.51Å
393R94.8Very high97.2Very high233 Ų23358.4 Ų58.488%0.87931%0.309SS*.G310 helixtrans-120.212.7-178-63.3-17560.3-168.9-5.8112.6L390 G391L390-R393 PolarHBondContact O-N 3.22Å; G391-R393 PolarHBondContact O-N 2.95Å
394D97.4Very high97.2Very high68 Ų6859.7 Ų59.736%0.36432%0.317SS..  trans-78.2163.8179.7-154.4-82.2000111.5N396 L399 V400D394-N396 PolarHBondContact OD1-N 2.97Å; D394-L399 HydrophobicContact CB-CD2 4.09Å; D394-V400 HydrophobicContact CB-CG2 4.35Å
395T96.8Very high97.2Very high142 Ų14265.1 Ų65.187%0.87134%0.343SS*.SBendtrans-87.3-17.1174.943.30000113.4
396N96.8Very high97.2Very high40 Ų4064.9 Ų64.921%0.21434%0.342CS..  trans-90.5109.1179.3-172.4-34.4000111.6E358 D394 S398 L399 V400E358-N396 PolarHBondContact OE1-ND2 2.87Å; E358-N396 PolarHBondContact OE2-ND2 2.62Å; D394-N396 PolarHBondContact OD1-N 2.97Å; N396-S398 PolarHBondContact O-N 3.3Å; N396-S398 VanDerWaalsContact O-N 3.12Å; N396-S398 WeakPolarHBondContact OD1-CA 3.25Å; N396-S398 WeakPolarHBondContact OD1-CB 3.32Å; N396-S398 PolarHBondContact OD1-N 3.05Å; N396-L399 HydrophobicContact CB-CB 4.13Å; N396-L399 WeakPolarHBondContact O-CA 3.35Å; N396-L399 WeakPolarHBondContact O-CB 3.1Å; N396-L399 PolarHBondContact O-N 3.32Å; N396-L399 PolarHBondContact OD1-N 3.49Å; N396-V400 WeakPolarHBondContact O-CG2 3.45Å; N396-V400 PolarHBondContact O-N 3.27Å
397D97.5Very high97.2Very high136 Ų13662.9 Ų62.973%0.72733%0.328SS*.Hα-helixtrans-52.7-33.4177.9-76.3-28.3000113.7V400 A401D397-V400 PolarHBondContact O-N 3.4Å; D397-A401 VanDerWaalsContact O-CB 3.28Å; D397-A401 WeakPolarHBondContact O-CB 3.44Å; D397-A401 PolarHBondContact O-N 3.42Å
398S97Very high97.1Very high69 Ų6963.9 Ų63.948%0.48334%0.343SS..Hα-helixtrans-68-40.5177.3-55.40000111.1N396 A401 M402N396-S398 PolarHBondContact O-N 3.3Å; N396-S398 VanDerWaalsContact O-N 3.12Å; N396-S398 WeakPolarHBondContact OD1-CA 3.25Å; N396-S398 WeakPolarHBondContact OD1-CB 3.32Å; N396-S398 PolarHBondContact OD1-N 3.05Å; S398-A401 PolarHBondContact O-N 3.29Å; S398-M402 WeakPolarHBondContact O-CB 3.39Å; S398-M402 VanDerWaalsContact O-CG 3.32Å; S398-M402 WeakPolarHBondContact O-CG 3.3Å; S398-M402 PolarHBondContact O-N 3.28Å
399L97.6Very high97.1Very high4 Ų465.8 Ų65.82%0.02136%0.355CS..Hα-helixtrans-70-38.5176.3-173.364.9000111.5E358 R361 M362 L365 D394 N396 M402 T403E358-L399 HydrophobicContact CG-CD2 4.31Å; R361-L399 HydrophobicContact CB-CD1 4Å; R361-L399 HydrophobicContact CG-CD1 3.75Å; M362-L399 HydrophobicContact CG-CD1 3.95Å; M362-L399 HydrophobicContact SD-CB 4.07Å; M362-L399 HydrophobicContact SD-CD1 3.62Å; M362-L399 HydrophobicContact SD-CG 4.48Å; L365-L399 HydrophobicContact CD1-CD1 3.82Å; D394-L399 HydrophobicContact CB-CD2 4.09Å; N396-L399 HydrophobicContact CB-CB 4.13Å; N396-L399 WeakPolarHBondContact O-CA 3.35Å; N396-L399 WeakPolarHBondContact O-CB 3.1Å; N396-L399 PolarHBondContact O-N 3.32Å; N396-L399 PolarHBondContact OD1-N 3.49Å; L399-M402 PolarHBondContact O-N 3.29Å; L399-T403 VanDerWaalsContact O-CB 3.26Å; L399-T403 WeakPolarHBondContact O-CB 3.46Å; L399-T403 PolarHBondContact O-N 2.6Å; L399-T403 PolarHBondContact O-OG1 2.79Å
400V98.2Very high97.1Very high31 Ų3162.7 Ų62.719%0.18834%0.339CS..Hα-helixtrans-61-47.4172.6177.90000110.5G391 D394 N396 D397 T403 L404G391-V400 WeakPolarHBondContact O-CA 3.23Å; G391-V400 WeakPolarHBondContact O-CG2 3.34Å; D394-V400 HydrophobicContact CB-CG2 4.35Å; N396-V400 WeakPolarHBondContact O-CG2 3.45Å; N396-V400 PolarHBondContact O-N 3.27Å; D397-V400 PolarHBondContact O-N 3.4Å; V400-T403 WeakPolarHBondContact O-CB 3.31Å; V400-T403 PolarHBondContact O-N 2.93Å; V400-L404 HydrophobicContact CG1-CD1 4.27Å; V400-L404 WeakPolarHBondContact O-CG 3.09Å; V400-L404 PolarHBondContact O-N 2.71Å
401A98.1Very high97.1Very high44 Ų4460.9 Ų60.936%0.36433%0.331SS..Hα-helixtrans-62.9-43.7178.100000112.6D397 S398 T403 L404 Q405D397-A401 VanDerWaalsContact O-CB 3.28Å; D397-A401 WeakPolarHBondContact O-CB 3.44Å; D397-A401 PolarHBondContact O-N 3.42Å; S398-A401 PolarHBondContact O-N 3.29Å; A401-T403 VanDerWaalsContact C-N 3.32Å; A401-T403 PolarHBondContact O-N 3.19Å; A401-L404 PolarHBondContact O-N 2.92Å; A401-Q405 WeakPolarHBondContact O-CG 3.48Å; A401-Q405 PolarHBondContact O-N 2.93Å; A401-Q405 VanDerWaalsContact O-N 3.1Å; A401-Q405 PolarHBondContact O-NE2 3.43Å
402M97.6Very high97.1Very high40 Ų4065.7 Ų65.720%0.19736%0.362CS..Hα-helixtrans-67.1-32.5175.4-72.3-52.9-56.400112.5M362 L365 A366 S398 L399 S406M362-M402 HydrophobicContact CE-CG 3.91Å; M362-M402 HydrophobicContact SD-CB 4.18Å; M362-M402 HydrophobicContact SD-CG 3.98Å; L365-M402 HydrophobicContact CB-CB 4.31Å; L365-M402 HydrophobicContact CD1-CB 4.34Å; A366-M402 HydrophobicContact CB-CE 4.2Å; S398-M402 WeakPolarHBondContact O-CB 3.39Å; S398-M402 VanDerWaalsContact O-CG 3.32Å; S398-M402 WeakPolarHBondContact O-CG 3.3Å; S398-M402 PolarHBondContact O-N 3.28Å; L399-M402 PolarHBondContact O-N 3.29Å; M402-S406 WeakPolarHBondContact O-CB 3.23Å; M402-S406 PolarHBondContact O-N 3.38Å; M402-S406 PolarHBondContact O-OG 3.34Å
403T97.9Very high97.2Very high0 Ų063.4 Ų63.40%035%0.352CS..Hα-helixtrans-64.7-47.4173.4-64.20000111.2L365 V388 G391 M392 L399 V400 A401 Q405 S406 L407L365-T403 WeakPolarHBondContact CD1-OG1 3.48Å; V388-T403 HydrophobicContact CG1-CG2 4.03Å; V388-T403 WeakPolarHBondContact O-CG2 3.47Å; G391-T403 WeakPolarHBondContact CA-OG1 3.13Å; M392-T403 HydrophobicContact CG-CG2 3.71Å; L399-T403 VanDerWaalsContact O-CB 3.26Å; L399-T403 WeakPolarHBondContact O-CB 3.46Å; L399-T403 PolarHBondContact O-N 2.6Å; L399-T403 PolarHBondContact O-OG1 2.79Å; V400-T403 WeakPolarHBondContact O-CB 3.31Å; V400-T403 PolarHBondContact O-N 2.93Å; A401-T403 VanDerWaalsContact C-N 3.32Å; A401-T403 PolarHBondContact O-N 3.19Å; T403-Q405 VanDerWaalsContact C-N 3.34Å; T403-Q405 PolarHBondContact O-N 3.27Å; T403-S406 WeakPolarHBondContact O-CB 3.47Å; T403-S406 PolarHBondContact O-N 3.08Å; T403-S406 VanDerWaalsContact O-N 3.13Å; T403-L407 HydrophobicContact CG2-CD1 4.15Å; T403-L407 WeakPolarHBondContact O-CG 3.47Å; T403-L407 PolarHBondContact O-N 3.37Å
404L97.6Very high97.2Very high93 Ų9353.3 Ų53.349%0.48732%0.315SS..Hα-helixtrans-62.4-39.7177.9-69171000112.3M392 V400 A401 L407 A408M392-L404 HydrophobicContact CE-CD2 4.13Å; V400-L404 HydrophobicContact CG1-CD1 4.27Å; V400-L404 WeakPolarHBondContact O-CG 3.09Å; V400-L404 PolarHBondContact O-N 2.71Å; A401-L404 PolarHBondContact O-N 2.92Å; L404-L407 PolarHBondContact O-N 3.36Å; L404-A408 PolarHBondContact O-N 3.3Å
405Q97.8Very high97.1Very high114 Ų11451.6 Ų51.653%0.53331%0.313SS..Hα-helixtrans-62.2-43.5171.8-70.7174.561.700111.9A401 T403 L407 A408 V409A401-Q405 WeakPolarHBondContact O-CG 3.48Å; A401-Q405 PolarHBondContact O-N 2.93Å; A401-Q405 VanDerWaalsContact O-N 3.1Å; A401-Q405 PolarHBondContact O-NE2 3.43Å; T403-Q405 VanDerWaalsContact C-N 3.34Å; T403-Q405 PolarHBondContact O-N 3.27Å; Q405-L407 PolarHBondContact O-N 3.15Å; Q405-A408 WeakPolarHBondContact O-CB 3.3Å; Q405-A408 PolarHBondContact O-N 3.25Å; Q405-A408 VanDerWaalsContact O-N 3.13Å; Q405-V409 PolarHBondContact O-N 2.98Å
406S97.8Very high96.8Very high2 Ų245.7 Ų45.71%0.01428%0.279CS..Hα-helixtrans-64.7-37.9179.1-61.10000112.7L365 M402 T403 A408 V409 L410L365-S406 WeakPolarHBondContact CB-OG 3.42Å; L365-S406 WeakPolarHBondContact CD2-OG 3.22Å; L365-S406 PolarHBondContact O-OG 3.43Å; M402-S406 WeakPolarHBondContact O-CB 3.23Å; M402-S406 PolarHBondContact O-N 3.38Å; M402-S406 PolarHBondContact O-OG 3.34Å; T403-S406 WeakPolarHBondContact O-CB 3.47Å; T403-S406 PolarHBondContact O-N 3.08Å; T403-S406 VanDerWaalsContact O-N 3.13Å; S406-A408 VanDerWaalsContact C-N 3.28Å; S406-A408 PolarHBondContact O-N 3.37Å; S406-V409 WeakPolarHBondContact O-CB 3.09Å; S406-V409 PolarHBondContact O-N 2.9Å; S406-V409 VanDerWaalsContact O-N 3.13Å; S406-L410 PolarHBondContact O-N 3.05Å; S406-L410 VanDerWaalsContact O-N 3.1Å
407L97.7Very high96.5Very high17 Ų1748.6 Ų48.69%0.08929%0.291CS..Hα-helixtrans-63-35.8173.4-67.7166.9000111.5L385 V388 L389 M392 T403 L404 Q405 V409 L410 V411 V419L385-L407 HydrophobicContact CD1-CD2 3.58Å; V388-L407 HydrophobicContact CG1-CD2 3.85Å; V388-L407 HydrophobicContact CG1-CG 4.02Å; L389-L407 HydrophobicContact CD2-CD1 4.06Å; L389-L407 HydrophobicContact CD2-CD2 3.77Å; L389-L407 HydrophobicContact CG-CD2 4.27Å; M392-L407 HydrophobicContact CG-CD1 3.99Å; M392-L407 HydrophobicContact SD-CD1 3.51Å; M392-L407 VanDerWaalsContact SD-CD1 3.51Å; T403-L407 HydrophobicContact CG2-CD1 4.15Å; T403-L407 WeakPolarHBondContact O-CG 3.47Å; T403-L407 PolarHBondContact O-N 3.37Å; L404-L407 PolarHBondContact O-N 3.36Å; Q405-L407 PolarHBondContact O-N 3.15Å; L407-V409 VanDerWaalsContact C-N 3.3Å; L407-V409 PolarHBondContact O-N 3.06Å; L407-L410 PolarHBondContact O-N 3.23Å; L407-L410 VanDerWaalsContact O-N 3.16Å; L407-V411 WeakPolarHBondContact O-CG2 3.17Å; L407-V411 PolarHBondContact O-N 3.39Å; L407-V419 HydrophobicContact CB-CG1 4Å; L407-V419 HydrophobicContact CD2-CG1 3.65Å; L407-V419 HydrophobicContact CG-CG1 4.43Å
408A97.1Very high96.3Very high63 Ų6345.1 Ų45.152%0.52128%0.275SS..Hα-helixtrans-64.6-31.8173.800000113L404 Q405 S406 P412L404-A408 PolarHBondContact O-N 3.3Å; Q405-A408 WeakPolarHBondContact O-CB 3.3Å; Q405-A408 PolarHBondContact O-N 3.25Å; Q405-A408 VanDerWaalsContact O-N 3.13Å; S406-A408 VanDerWaalsContact C-N 3.28Å; S406-A408 PolarHBondContact O-N 3.37Å; A408-P412 WeakPolarHBondContact O-CD 3.22Å
409V97.1Very high96.2Very high41 Ų4142.1 Ų42.125%0.24825%0.254CS..Hα-helixtrans-69.3-35.9171.6175.80000111.9I368 H369 A372 Q405 S406 L407 P412I368-V409 HydrophobicContact CG2-CB 4.36Å; I368-V409 HydrophobicContact CG2-CG1 4.32Å; I368-V409 HydrophobicContact CG2-CG2 4.37Å; H369-V409 HydrophobicContact CB-CG1 4.2Å; H369-V409 HydrophobicContact CB-CG2 4Å; A372-V409 HydrophobicContact CB-CG1 4.38Å; Q405-V409 PolarHBondContact O-N 2.98Å; S406-V409 WeakPolarHBondContact O-CB 3.09Å; S406-V409 PolarHBondContact O-N 2.9Å; S406-V409 VanDerWaalsContact O-N 3.13Å; L407-V409 VanDerWaalsContact C-N 3.3Å; L407-V409 PolarHBondContact O-N 3.06Å; V409-P412 WeakPolarHBondContact O-CD 3.21Å
410L97.1Very high95.7Very high0 Ų047 Ų470%028%0.283CS..Hα-helixtrans-76.2-24.8178.9-64.1-177.8000113.4I368 A372 L380 L385 V388 S406 L407 L413 L414 V419I368-L410 HydrophobicContact CD1-CD2 4.42Å; A372-L410 HydrophobicContact CB-CD2 4.5Å; L380-L410 HydrophobicContact CD2-CD2 3.89Å; L385-L410 HydrophobicContact CB-CD1 4.41Å; L385-L410 HydrophobicContact CD1-CD1 3.99Å; V388-L410 HydrophobicContact CG2-CD1 4.4Å; S406-L410 PolarHBondContact O-N 3.05Å; S406-L410 VanDerWaalsContact O-N 3.1Å; L407-L410 PolarHBondContact O-N 3.23Å; L407-L410 VanDerWaalsContact O-N 3.16Å; L410-L413 PolarHBondContact O-N 3.21Å; L410-L414 PolarHBondContact O-N 3Å; L410-V419 HydrophobicContact CB-CG1 4.31Å; L410-V419 HydrophobicContact CB-CG2 4.01Å
411V96.6Very high95Very high47 Ų4746.9 Ų46.929%0.28529%0.288SS..Hα-helixtrans-56.6-44.5-178.8158.30000113.7L407 L413 G415 A416 V419 V420L407-V411 WeakPolarHBondContact O-CG2 3.17Å; L407-V411 PolarHBondContact O-N 3.39Å; V411-L413 VanDerWaalsContact C-N 3.31Å; V411-L413 PolarHBondContact O-N 3.32Å; V411-G415 CarbonylContact O-C 3.57Å; V411-G415 WeakPolarHBondContact O-CA 3.31Å; V411-G415 PolarHBondContact O-N 3.25Å; V411-A416 HydrophobicContact CG1-CB 3.94Å; V411-A416 HydrophobicContact CG2-CB 4.24Å; V411-V419 HydrophobicContact CG2-CB 3.95Å; V411-V419 HydrophobicContact CG2-CG1 3.98Å; V411-V419 HydrophobicContact CG2-CG2 4.34Å; V411-V420 HydrophobicContact CG2-CG2 4.48Å
412P96.1Very high94.1Very high102 Ų10247.6 Ų47.666%0.66230%0.3SS*.Hα-helixtrans-61.6-30.9171.6-28.235.6000115.3A408 V409A408-P412 WeakPolarHBondContact O-CD 3.22Å; V409-P412 WeakPolarHBondContact O-CD 3.21Å
413L96.3Very high93.2Very high45 Ų4554.9 Ų54.924%0.23633%0.333CS..Hα-helixtrans-89.3-39.5-170.7-58.4177.3000113.2A372 E373 Q377 L380 L410 V411A372-L413 HydrophobicContact CB-CD1 3.55Å; E373-L413 HydrophobicContact CG-CD2 4.4Å; Q377-L413 PolarHBondContact NE2-O 2.85Å; L380-L413 HydrophobicContact CD1-CB 3.96Å; L380-L413 HydrophobicContact CD1-CD1 4Å; L410-L413 PolarHBondContact O-N 3.21Å; V411-L413 VanDerWaalsContact C-N 3.31Å; V411-L413 PolarHBondContact O-N 3.32Å
414L96Very high92.5Very high22 Ų2261.9 Ų61.912%0.11536%0.36CS..Hα-helixtrans-105.8-16-179.2-68.8-179.2000113.7Q377 L380 K381 L385 L410 V418 V419Q377-L414 HydrophobicContact CB-CD2 4.47Å; L380-L414 HydrophobicContact CB-CD1 4.08Å; L380-L414 HydrophobicContact CB-CD2 3.77Å; L380-L414 HydrophobicContact CB-CG 4.08Å; K381-L414 HydrophobicContact CB-CD1 4.38Å; K381-L414 HydrophobicContact CB-CD2 3.93Å; L385-L414 HydrophobicContact CB-CD1 4.23Å; L385-L414 HydrophobicContact CD2-CD1 3.93Å; L410-L414 PolarHBondContact O-N 3Å; L414-V418 HydrophobicContact CB-CB 4.21Å; L414-V418 HydrophobicContact CB-CG1 4.22Å; L414-V418 HydrophobicContact CD1-CG1 4.33Å; L414-V418 WeakPolarHBondContact O-CG2 3.44Å; L414-V419 HydrophobicContact CB-CG2 3.75Å; L414-V419 HydrophobicContact CD1-CG2 4.17Å
415G93.8Very high92Very high31 Ų3163.2 Ų63.232%0.3237%0.372SS..  trans81.8138-171.600000112.7V411 Q417 V418 V419V411-G415 CarbonylContact O-C 3.57Å; V411-G415 WeakPolarHBondContact O-CA 3.31Å; V411-G415 PolarHBondContact O-N 3.25Å; G415-Q417 PolarHBondContact O-N 3.49Å; G415-V418 PolarHBondContact O-N 3.37Å; G415-V419 PolarHBondContact O-N 3.02Å
416A91.5Very high91.4Very high19 Ų1966.2 Ų66.216%0.15738%0.383CS..Hα-helixtrans-58.6-18.4-177.500000115.4V411 V418 V420V411-A416 HydrophobicContact CG1-CB 3.94Å; V411-A416 HydrophobicContact CG2-CB 4.24Å; A416-V418 VanDerWaalsContact C-N 3.34Å; A416-V420 HydrophobicContact CB-CG2 4.4Å; A416-V420 VanDerWaalsContact O-CB 3.31Å; A416-V420 WeakPolarHBondContact O-CB 3.46Å; A416-V420 PolarHBondContact O-N 3.02Å; A416-V420 VanDerWaalsContact O-N 3.09Å
417Q90.8Very high91Very high101 Ų10171.2 Ų71.247%0.47241%0.414SS..Hα-helixtrans-70.1-30.9173.6-172.357.657.300112.8G415 G421 G422 R424G415-Q417 PolarHBondContact O-N 3.49Å; Q417-G421 PolarHBondContact O-N 2.76Å; Q417-G422 PolarHBondContact NE2-O 3.24Å; Q417-R424 VanDerWaalsContact OE1-CD 3.28Å
418V93.4Very high90.5Very high62 Ų6279.1 Ų79.138%0.37645%0.447SS..Hα-helixtrans-85.3-41.7178.6179.20000110.5K381 L385 L414 G415 A416K381-V418 HydrophobicContact CD-CG1 4.48Å; K381-V418 HydrophobicContact CG-CG1 3.92Å; L385-V418 HydrophobicContact CD2-CG1 4.02Å; L414-V418 HydrophobicContact CB-CB 4.21Å; L414-V418 HydrophobicContact CB-CG1 4.22Å; L414-V418 HydrophobicContact CD1-CG1 4.33Å; L414-V418 WeakPolarHBondContact O-CG2 3.44Å; G415-V418 PolarHBondContact O-N 3.37Å; A416-V418 VanDerWaalsContact C-N 3.34Å
419V93.3Very high90.1Very high7 Ų784.8 Ų84.84%0.04246%0.461CS..Hα-helixtrans-78.9-39.1-173.8-175.90000113.3L385 L407 L410 V411 L414 G415L385-V419 HydrophobicContact CD1-CG1 4.03Å; L407-V419 HydrophobicContact CB-CG1 4Å; L407-V419 HydrophobicContact CD2-CG1 3.65Å; L407-V419 HydrophobicContact CG-CG1 4.43Å; L410-V419 HydrophobicContact CB-CG1 4.31Å; L410-V419 HydrophobicContact CB-CG2 4.01Å; V411-V419 HydrophobicContact CG2-CB 3.95Å; V411-V419 HydrophobicContact CG2-CG1 3.98Å; V411-V419 HydrophobicContact CG2-CG2 4.34Å; L414-V419 HydrophobicContact CB-CG2 3.75Å; L414-V419 HydrophobicContact CD1-CG2 4.17Å; G415-V419 PolarHBondContact O-N 3.02Å
420V87.5Confident89.4Confident106 Ų10693.6 Ų93.664%0.64249%0.489SS*.SBendtrans-96.1-24.3-177.6-1710000111.9V411 A416V411-V420 HydrophobicContact CG2-CG2 4.48Å; A416-V420 HydrophobicContact CB-CG2 4.4Å; A416-V420 VanDerWaalsContact O-CB 3.31Å; A416-V420 WeakPolarHBondContact O-CB 3.46Å; A416-V420 PolarHBondContact O-N 3.02Å; A416-V420 VanDerWaalsContact O-N 3.09Å
421G84.4Confident88.7Confident28 Ų2899.5 Ų99.529%0.28953%0.526SS..  trans66.1-162.5-173.800000113.7Q417Q417-G421 PolarHBondContact O-N 2.76Å
422G78.3Confident87.8Confident60 Ų60107.3 Ų107.362%0.61955%0.55SS*.SBendtrans68.9172.1176.300000115.9Q417 R424Q417-G422 PolarHBondContact NE2-O 3.24Å; G422-R424 PolarHBondContact O-N 2.68Å
423E79.1Confident86.6Confident192 Ų192106.6 Ų106.690%0.89755%0.545SS*.  trans-80.5114.4170.2-66.9-166.3164.800110.3T425E423-T425 PolarHBondContact O-N 3.06Å
424R83Confident85.1Confident148 Ų148110.7 Ų110.756%0.55857%0.567SS**  trans-95.298.1-170.2-64.5-176.764.9-116.10.8112.2Q417 G422Q417-R424 VanDerWaalsContact OE1-CD 3.28Å; G422-R424 PolarHBondContact O-N 2.68Å
425T87.1Confident83.6Confident120 Ų120117.7 Ų117.774%0.73660%0.597SS**  trans-85.2156.217663.70000112.7E423 V427E423-T425 PolarHBondContact O-N 3.06Å; T425-V427 PolarHBondContact O-N 3.48Å
426K86.4Confident82Confident178 Ų178122.3 Ų122.377%0.77462%0.619SS**  trans-9384.3-177.1-171.9-173.5176.1-177.80111.8F428K426-F428 WeakPolarHBondContact CE-O 3.11Å
427V88.3Confident80.4Confident107 Ų107130.5 Ų130.565%0.64865%0.651SS**  trans-65.3-49.7176.5-176.20000111.8T425T425-V427 PolarHBondContact O-N 3.48Å
428F88.2Confident78.6Confident182 Ų182130.6 Ų130.680%0.79866%0.663SS**  trans-84.3127.2-172.1-59.4-72.8000113.7K426K426-F428 WeakPolarHBondContact CE-O 3.11Å
429K88.3Confident76.7Confident183 Ų183134.5 Ų134.580%0.79669%0.687SS**  trans-85.2140.8172.8-64.4177.1-176.21730110.2T431K429-T431 HydrophobicContact CB-CG2 4.48Å; K429-T431 PolarHBondContact O-N 3.04Å; K429-T431 VanDerWaalsContact O-N 3.13Å
430R81.3Confident74.8Confident225 Ų225143 Ų14385%0.84973%0.727SS**  trans-83.987.5178.8-170.1179-170.81674109.7
431T83.8Confident72.7Confident125 Ų125144.6 Ų144.677%0.76774%0.736SS**  trans-84.7-8.5-174.348.70000115.2K429 P433K429-T431 HydrophobicContact CB-CG2 4.48Å; K429-T431 PolarHBondContact O-N 3.04Å; K429-T431 VanDerWaalsContact O-N 3.13Å; T431-P433 WeakPolarHBondContact O-CD 3.5Å
432R77.6Confident70.7Confident211 Ų211149.1 Ų149.180%0.79676%0.759SS**SBendtrans-58.9123.3175.5-73.2-169.4179.7-175.40.7110.4
433P71.2Confident69Low86 Ų86151.7 Ų151.756%0.55876%0.764SS**  trans-60.9144.2176.9-22.733000112.2T431 F435T431-P433 WeakPolarHBondContact O-CD 3.5Å; P433-F435 VanDerWaalsContact C-N 3.29Å; P433-F435 HydrophobicContact CB-CD2 4.08Å; P433-F435 HydrophobicContact CB-CE2 3.72Å; P433-F435 HydrophobicContact CB-CZ 3.98Å; P433-F435 HydrophobicContact CG-CE2 3.91Å; P433-F435 HydrophobicContact CG-CZ 4.06Å; P433-F435 WeakPolarHBondContact O-CD2 3.24Å; P433-F435 PolarHBondContact O-N 3.14Å
434N63.7Low67.3Low131 Ų131151.6 Ų151.670%0.70176%0.764SS**  trans-80.774.6175.5-72-34.8000110.5T436N434-T436 PolarHBondContact O-N 2.85Å
435F64.3Low65.3Low170 Ų170151.1 Ų151.175%0.74678%0.777SS**  trans-60.5-2177.8-69.7-76.7000115P433P433-F435 VanDerWaalsContact C-N 3.29Å; P433-F435 HydrophobicContact CB-CD2 4.08Å; P433-F435 HydrophobicContact CB-CE2 3.72Å; P433-F435 HydrophobicContact CB-CZ 3.98Å; P433-F435 HydrophobicContact CG-CE2 3.91Å; P433-F435 HydrophobicContact CG-CZ 4.06Å; P433-F435 WeakPolarHBondContact O-CD2 3.24Å; P433-F435 PolarHBondContact O-N 3.14Å
436T61.4Low62.7Low128 Ų128151 Ų15179%0.78578%0.781SS**SBendtrans-9730.4-178.363.50000113.4N434N434-T436 PolarHBondContact O-N 2.85Å
437K57.1Low60.6Low190 Ų190147.7 Ų147.783%0.82678%0.778SS**SBendtrans-145.837.2178.1-80.1-152.6170.7-162.30114.1
438S54.1Low58.2Low104 Ų104148.1 Ų148.173%0.72778%0.781SS**  trans-135.553-177.5-56.90000113.3
439T53.5Low55.9Low143 Ų143146.8 Ų146.888%0.87778%0.777SS**  trans-146.832.7-180-120000114.6
440E51.8Low53.3Low186 Ų186144.6 Ų144.687%0.86977%0.772SS**  trans-144.662.1174.6-161165-136.500112.3
441V43.9Very low51Low139 Ų139140.5 Ų140.584%0.84277%0.772SS**  trans-139.682.6158.5-173.50000108.2P443V441-P443 WeakPolarHBondContact O-CD 3.45Å
442T43.5Very low48.4Very low124 Ų124138.1 Ų138.176%0.76177%0.772SS**  trans-76.9120.916441.30000109E444T442-E444 PolarHBondContact O-N 2.56Å
443P41.4Very low46.1Very low113 Ų113131.8 Ų131.873%0.73477%0.773SS**  trans-72.1116.4174.828.4-32.6000110.4V441 T445V441-P443 WeakPolarHBondContact O-CD 3.45Å; P443-T445 VanDerWaalsContact C-N 3.28Å; P443-T445 PolarHBondContact O-N 3.48Å
444E43.9Very low44.2Very low191 Ų191133.1 Ų133.189%0.89378%0.784SS**SBendtrans-73.172176.7-69.6-163.8148.500112.9T442T442-E444 PolarHBondContact O-N 2.56Å
445T40.8Very low42.6Very low137 Ų137135.8 Ų135.884%0.8479%0.792SS**  trans-15990.6148.847.40000110.7P443P443-T445 VanDerWaalsContact C-N 3.28Å; P443-T445 PolarHBondContact O-N 3.48Å
446S32Very low41.3Very low117 Ų117132.4 Ų132.482%0.81879%0.787SS**  trans-145.2129.8155.6-168.80000108.9
447P42.7Very low39.8Very low109 Ų109134.3 Ų134.371%0.70879%0.787SS**  trans-92.8143-167.2-1.221.8000113.1
448V38.5Very low38.7Very low117 Ų117132.5 Ų132.571%0.70979%0.785SS**  trans69.6122.9139.2176.70000115.9
449H39.7Very low37.5Very low154 Ų154132.1 Ų132.171%0.71379%0.788SS**  cis-149.1143.818.2-104.6-43.5000112.8
450I33.6Very low36.4Very low136 Ų136134.4 Ų134.470%0.69779%0.789SS**  trans52.3116133.1-58.4172.2000120.6
451V32.2Very low35.4Very low140 Ų140131.5 Ų131.585%0.84879%0.786SS**  trans13.5133133.6-166.80000117.5
452G28.9Very low34.6Very low74 Ų74130.5 Ų130.576%0.76379%0.785SS**  cis140.3164.111.500000109.2
453G30.3Very low34.3Very low79 Ų79134.4 Ų134.481%0.81479%0.792SS**  cis-170.5151.8-7.800000109.9
454S30.9Very low33.8Very low114 Ų114135.3 Ų135.380%0.79780%0.795SS**  trans-156.2133.3-178.649.40000111.1
455H30.2Very low33.2Very low186 Ų186134 Ų13486%0.86179%0.793SS**  trans-160.3112.7163.6-133.6-52.7000112.3
456P37Very low32.6Very low100 Ų100132.5 Ų132.565%0.64979%0.788SS**  trans-93163.7155.835.5-30.6000111.6
457Q29.5Very low32.7Very low167 Ų167134.2 Ų134.278%0.7879%0.787SS**  trans38.6122147.3-68.4-174.8-21.900123
458I34.2Very low32.3Very low153 Ų153135.4 Ų135.479%0.78578%0.782SS**  53.1113.1120.8-54.2165.9000119
459A28.1Very low32Very low95 Ų95135.5 Ų135.579%0.78579%0.785SS**  -162.9142.2121.300000111
460Q31.8Very low31.6Very low191 Ų191137.5 Ų137.589%0.89379%0.791SS**  trans-127.1137.6161.2-81.7-163.7-3.500109.5
461P29.8Very low31.5Very low126 Ų126137 Ų13782%0.81880%0.797SS**  trans-81.6151.817932.8-34.8000113
462S28.5Very low31.4Very low118 Ų118136.8 Ų136.883%0.82580%0.796SS**  trans-65.8156.6-171.9-48.60000115
463K35.8Very low31.4Very low205 Ų205137.9 Ų137.989%0.89180%0.798SS**  trans-121.7118.8161.4-78-179.4178.41690110.4
464V31Very low31.3Very low132 Ų132140.9 Ų140.980%0.880%0.8SS**  trans-76.4163.3170-178.80000109.5
465L31Very low31.1Very low164 Ų164146.7 Ų146.786%0.85980%0.804SS**  trans77.273.9-176.3-53.9179.8000115.7
466S29.3Very low30.9Very low105 Ų105141.4 Ų141.473%0.73480%0.8SS**  trans-137.492.1143.359.90000110.1
467L32.7Very low30.4Very low153 Ų153140.2 Ų140.280%0.80181%0.806SS**  trans-68.2147153.3-67.2167000107.6
468F35.4Very low30.4Very low135 Ų135141 Ų14159%0.59281%0.814SS**SBendtrans68.7123.4-171.3-50.2-76.5000115.8
469P31.5Very low30.1Very low119 Ų119140.5 Ų140.577%0.77382%0.818SS**PPolyproline II helixtrans-63.5156.8166.4-19.633000112.2
470K32.8Very low30.1Very low195 Ų195144.2 Ų144.285%0.84882%0.824SS**PPolyproline II helixtrans-93140.1172.1-72.2175.6-178.8167.80110.8
471P30.5Very low29.9Very low127 Ų127138.6 Ų138.683%0.82582%0.817SS**PPolyproline II helixtrans-67.6141.6175.728.4-34.7000111.6A473P471-A473 PolarHBondContact O-N 3.24Å
472V30.8Very low29.7Very low135 Ų135139.8 Ų139.882%0.81882%0.817SS**PPolyproline II helixtrans-74.4122.5172176.90000109.1V474V472-V474 PolarHBondContact O-N 2.7Å; V472-V474 VanDerWaalsContact O-N 3.13Å
473A27.8Very low29.7Very low97 Ų97141.8 Ų141.880%0.80282%0.816SS**  trans-77.598.3-179.700000111.4P471 R475P471-A473 PolarHBondContact O-N 3.24Å; A473-R475 PolarHBondContact O-N 3.38Å
474V28.5Very low29.2Very low141 Ų141138.4 Ų138.486%0.85581%0.808SS**  trans-68102.9170.7-179.50000109.3V472V472-V474 PolarHBondContact O-N 2.7Å; V472-V474 VanDerWaalsContact O-N 3.13Å
475R27.5Very low29Very low236 Ų236137.2 Ų137.289%0.89181%0.805SS**  trans-90.4112167.3-177.9178.8-66.9-140.8-0.7108.5A473A473-R475 PolarHBondContact O-N 3.38Å
476G25.3Very low28.9Very low75 Ų75137.3 Ų137.377%0.77381%0.806SS**  trans-62.4142.8178.600000113.1
477G25.9Very low28.8Very low75 Ų75141.4 Ų141.477%0.77381%0.813SS**  trans-152.5115.8172.700000109.8
478L29.4Very low28.5Very low183 Ų183139.2 Ų139.296%0.95882%0.817SS**  trans-79.1122.4178.5-74158.9000110.4
479V28Very low28.1Very low144 Ų144144.2 Ų144.287%0.87383%0.833SS**  trans-139.1135.8158.7-176.50000108.6
480L28.8Very low27.8Very low173 Ų173147.5 Ų147.591%0.90684%0.838SS**  trans-96.8142179-162.581.6000109.7
481G26.8Very low27.4Very low72 Ų72144.4 Ų144.474%0.74284%0.835SS**  trans-176120174.600000113.9
482N26.9Very low27.1Very low152 Ų152144.8 Ų144.881%0.81384%0.835SS**  trans-94.2160.8174.4-64-6.8000111
483I28.2Very low26.8Very low160 Ų160148.4 Ų148.482%0.82183%0.834SS**  trans147.5139.8131.9-77.7168.8000112.7
484D26.1Very low26.6Very low134 Ų134150.8 Ų150.872%0.71783%0.832SS**  trans-61.8153.6-165.3-51.8-86.3000119
485S26.3Very low26.5Very low106 Ų106154 Ų15474%0.74183%0.83SS**  trans69.6135.9139.977.10000120.3
486L27.8Very low26.4Very low167 Ų167147.6 Ų147.687%0.87482%0.822SS**  -161.9153.9105.1-105.6169.2000111.2
487Q27.3Very low26.4Very low190 Ų190152.1 Ų152.189%0.88883%0.827SS**  trans-84.3136.2171.5-65.8173.9-21.100109.9
488A26.7Very low26.7Very low107 Ų107153.4 Ų153.488%0.88482%0.822SS**  trans-142.7132.6159.100000109.6
489R26.9Very low26.7Very low241 Ų241150.9 Ų150.991%0.90982%0.816SS**  trans-127108.2-175.4168.6-158.9-177.2-177.54.1107.1
490E25.6Very low26.6Very low188 Ų188153.7 Ų153.788%0.87982%0.817SS**  trans-143.3113.4175.6-147.3153.7-124.100113.5
491T23.9Very low26.6Very low130 Ų130151.7 Ų151.780%0.79882%0.817SS**  trans-82.6131.4168.3480000109.6
492T25.4Very low26.6Very low135 Ų135151.8 Ų151.883%0.82882%0.818SS**  trans-138.7138155.6-68.90000112.4
493R24.7Very low26.6Very low210 Ų210150.4 Ų150.479%0.79282%0.82SS**  trans-59.3149.6-168.8-63.5162.7176.4161.3-1.3115.7
494I23.8Very low26.5Very low147 Ų147148.1 Ų148.175%0.75482%0.819SS**  trans-43.2138.6152.9-61.3156.8000111.4
495Y25.8Very low26.5Very low208 Ų208152 Ų15282%0.81682%0.823SS**  trans-134.3131.6153.6-89.4-83.5000109.5
496S24.1Very low26.5Very low102 Ų102156.2 Ų156.271%0.71383%0.831SS**  trans-117.4135.7-175.9-41.90000110.3
497L26.4Very low26.4Very low171 Ų171154.9 Ų154.990%0.89582%0.823SS**  trans-159.7166.1167.1-101.6170.4000108
498P31.4Very low26.3Very low102 Ų102151.2 Ų151.266%0.66282%0.819SS**  -114.9174.9-120.941.5-29.3000113.6
499P30.7Very low26.3Very low129 Ų129153.1 Ų153.184%0.83881%0.813SS**  trans-72.2153.7-167.829.5-36.8000113.5
500K25.8Very low26.6Very low204 Ų204146.7 Ų146.789%0.88780%0.803SS**  trans-115127164.4-74.8-172.6175.4-178.40110
501S28.6Very low26.8Very low131 Ų131144 Ų14492%0.91679%0.794SS**  trans-65.5141165.242.90000110.2
502G25.4Very low26.9Very low73 Ų73145.1 Ų145.175%0.75380%0.795SS**  trans-160.376.3-174.900000111S504G502-S504 PolarHBondContact O-N 3.23Å
503S26.7Very low27.1Very low123 Ų123141.1 Ų141.186%0.8678%0.781SS**  trans-63.6119.5170.2178.50000109.4
504S26.4Very low27.3Very low113 Ų113140 Ų14079%0.7978%0.782SS**  trans-123.6115.3167.4-166.90000107.8G502G502-S504 PolarHBondContact O-N 3.23Å
505R27.3Very low27.4Very low215 Ų215138.2 Ų138.281%0.81178%0.783SS**  trans-73.8134.6175.5-69.6169.8166.8163.2-7.5108.6I507R505-I507 PolarHBondContact O-N 3.13Å
506E25.5Very low27.5Very low194 Ų194138 Ų13891%0.90779%0.786SS**  trans-64.7124.2160.5-66.9-169.2123.800108.8
507I25.8Very low27.6Very low139 Ų139139.1 Ų139.171%0.71378%0.784SS**  trans-105.795.6173.7-62176.6000107R505 L509R505-I507 PolarHBondContact O-N 3.13Å; I507-L509 HydrophobicContact CG2-CD1 3.92Å; I507-L509 HydrophobicContact CG2-CG 3.89Å
508S25.6Very low27.7Very low114 Ų114137.6 Ų137.680%0.79777%0.772SS**  trans-81.8122.7163.147.80000109.1
509L25.8Very low27.5Very low146 Ų146140.8 Ų140.876%0.76478%0.778SS**  trans-136.1151.9170.6-76.3177.2000110.5I507I507-L509 HydrophobicContact CG2-CD1 3.92Å; I507-L509 HydrophobicContact CG2-CG 3.89Å
510P34.1Very low27.3Very low106 Ų106142.9 Ų142.969%0.68878%0.777SS**  trans-126.3-146.4-149.328-3.1000112.4
511L28.7Very low27.3Very low133 Ų133141 Ų14170%0.69677%0.772SS**  trans78.6154179-75.883.5000114.8
512N27.8Very low27.1Very low153 Ų153139.3 Ų139.382%0.81876%0.76SS**  cis-75.815314.6-56.5-49.1000114.7
513G29.4Very low27.1Very low51 Ų51140.4 Ų140.453%0.52676%0.756SS.*  cis108136.814.200000110
514F27.7Very low27.1Very low185 Ų185145.3 Ų145.381%0.81176%0.757SS**  cis-143.2176.310-86.6-100.7000108.2
515S26.8Very low27Very low111 Ų111145 Ų14578%0.77676%0.755SS**  cis-153.8156.84.140.40000109.1
516K26.5Very low27.9Very low202 Ų202139.7 Ų139.788%0.87875%0.748SS**  trans-149.3128.5167-171.7-177.6-177.6-174.70111.2
517N27.2Very low27.9Very low126 Ų126137.7 Ų137.767%0.67474%0.743SS**  trans-154.8150.8161.7-94.221.3000104.6
518E28.9Very low28Very low139 Ų139139.8 Ų139.865%0.6575%0.75SS**  cis-156.8158.8-2.5-117.9149.817400108.2
519E27.3Very low28.8Very low170 Ų170139.4 Ų139.479%0.79475%0.745SS**  trans59173.6155.1-65.6164.4-165.300119.3
520E27Very low28.9Very low173 Ų173141.4 Ų141.481%0.80875%0.751SS**  -147.8178.8-70.5-144.5166.6-148.500110.6
521E25.7Very low28.5Very low165 Ų165147.7 Ų147.777%0.77176%0.761SS**  trans51113.9161-59.7-155.3128.200123.4
522S24.5Very low29.2Very low95 Ų95145.7 Ų145.766%0.66476%0.756SS**  81.3111.3123.878.60000123.8
523S23.7Very low29.2Very low96 Ų96147.6 Ų147.667%0.67176%0.76SS**  77150.3121.976.70000123.7
524Y26.7Very low29.1Very low226 Ų226149 Ų14989%0.88677%0.774SS**  trans77.1150166.2-72.1-77.3000120.8
525S24.5Very low29.1Very low107 Ų107151.9 Ų151.975%0.74878%0.779SS**  trans-108.5-170.4-171.4-23.20000110.5
526P46.9Very low29.1Very low103 Ų103152 Ų15267%0.66978%0.78SS**  cis-134-152-12.130.5-5.3000112.6
527D26.4Very low29.3Very low151 Ų151151.4 Ų151.481%0.80778%0.78SS**  trans96.1147151.7-61.1-24.9000121.8
528Q26.3Very low29.4Very low183 Ų183149 Ų14986%0.85578%0.778SS**  trans-102.9-174.5168.8-46.9-177.8-23.500108.4
529P44.1Very low29.5Very low106 Ų106151.1 Ų151.169%0.68879%0.788SS**  cis-133.9-155-5.331.8-7.4000113.3
530E27.7Very low29.8Very low189 Ų189150.3 Ų150.388%0.88379%0.789SS**  trans102.8170.1155.6-52.6-137.5136.700120
531R25.2Very low30.1Very low237 Ų237153.9 Ų153.989%0.89480%0.795SS**  trans-137.2-178.9-159.2-125.1-172.8175.5-178.3-0.9106.5
532P42.6Very low30.7Very low92 Ų92150.9 Ų150.960%0.59779%0.79SS**  cis-133.5-163.4-20.240.9-22.9000112.8
533E27.8Very low31Very low193 Ų193153.6 Ų153.690%0.90280%0.797SS**  trans72.4135.6155.3-71.3175.8-142.400120.8
534G27.6Very low31.6Very low79 Ų79159.9 Ų159.981%0.81481%0.806SS**  trans16640.7178.800000118.6
535R27Very low31.8Very low246 Ų246154.2 Ų154.293%0.92880%0.8SS**  trans-10.3132.4175.5-71176167-178.7-4.9119.2
536S27.6Very low32.1Very low113 Ų113157 Ų15779%0.7981%0.807SS**  -165.5135.8112.717.70000114.2
537Q30.4Very low32.2Very low190 Ų190157 Ų15789%0.88881%0.807SS**  trans12.8136163.9-69.2165.5-87.200122.5
538A30.1Very low32.6Very low75 Ų75158.2 Ų158.262%0.6281%0.807SS**  trans-107171.1162.100000110.7
539E30.9Very low33.2Very low185 Ų185158.2 Ų158.286%0.86481%0.807SS**  trans172.786.4156-99.4160.2-14500105.1
540D34.3Very low32.5Very low153 Ų153156.4 Ų156.482%0.81881%0.808SS**  67.6140.576.1-76.7-41.7000115.9
541W33.2Very low32.8Very low247 Ų247156.3 Ų156.394%0.93681%0.807SS**  trans-105.9155.8-176.5-76.771.2000111.2
542P36.7Very low33Very low103 Ų103153.1 Ų153.167%0.66980%0.803SS**  trans-77.3131.8-172.6-12.729.3000113.6
543D31.3Very low32.4Very low152 Ų152157 Ų15781%0.81381%0.813SS**  trans-84.4163.8161.1-165.87.7000110.6
544W35.9Very low32.5Very low228 Ų228156.2 Ų156.286%0.86481%0.809SS**  trans-135.796.3-179.7-77.695000112.1
545S31Very low33.4Very low107 Ų107157.1 Ų157.175%0.74880%0.801SS**  trans-161.5116.6163.3-78.80000110.6
546D31.2Very low33.3Very low166 Ų166151.4 Ų151.489%0.88879%0.793SS**  trans-163.2146162.6-104.7-28000110.7
547P49.8Very low33.4Very low103 Ų103154.1 Ų154.167%0.66979%0.793SS**  trans-115.1-167.7179.842.6-33.8000115
548E34.3Very low33.2Very low176 Ų176152.1 Ų152.182%0.82279%0.794SS**  trans75.5148166.4-64.5173-174.200117
549E38Very low32.9Very low182 Ų182156 Ų15685%0.8580%0.799SS**  cis-157.5161.5-2.2-135-171.9-179.300113.7
550G31Very low32.7Very low69 Ų69154.9 Ų154.971%0.71180%0.798SS**  trans73.9152.2153.300000121.3
551E34Very low32.3Very low186 Ų186155.3 Ų155.387%0.86979%0.794SS**  cis-160.5148.7-16.2-82.4-158.8119.900110.6
552Q28.2Very low32.1Very low171 Ų171147.7 Ų147.780%0.79978%0.784SS**  159116.9128.8-87.3-171.9-17.100115.2
553E29.5Very low31.7Very low173 Ų173147.9 Ų147.981%0.80879%0.788SS**  trans43.2148.8139.3-59.1-176.1177.200123.4
554Q30.4Very low31.5Very low176 Ų176146.9 Ų146.982%0.82278%0.783SS**  cis174.5178-30.8-113.8-160.432.900107.9
555P46.8Very low31.1Very low98 Ų98146.3 Ų146.364%0.63678%0.781SS**  cis-135.1-148.9-37.239.5-19.2000112.9
556V24.9Very low30.9Very low127 Ų127148.3 Ų148.377%0.7779%0.788SS**  trans86.4114.7174-1690000115.5
557Q29.2Very low30.8Very low170 Ų170151 Ų15179%0.79479%0.786SS**  cis122.3112.7-3.8-172.9-17323.900113.4
558T25.8Very low29.7Very low148 Ų148153.5 Ų153.591%0.90879%0.794SS**  trans-154.2143.6134.123.90000110
559H24.1Very low29.3Very low156 Ų156153.9 Ų153.972%0.72280%0.795SS**  trans-107.9169.3179-158.3-0.9000108.6
560I27Very low28.8Very low162 Ų162154.8 Ų154.883%0.83180%0.8SS**  -174.9157.891.8-86.5162.2000108.1
561Q26Very low28.9Very low161 Ų161160.2 Ų160.275%0.75281%0.807SS**  trans-133.9169.9-178-170.9-176.3-0.300110.3
562A28.2Very low29.5Very low87 Ų87155.9 Ų155.972%0.71980%0.795SS**  trans79.2152.515800000117.1
563S29.5Very low29.7Very low108 Ų108158.2 Ų158.276%0.75580%0.796SS**  cis-174.7179.9-16.249.30000112.1
564D27.3Very low29.7Very low131 Ų131155.4 Ų155.470%0.70179%0.787SS**  trans113.4168140-132.6-19.6000119.4
565R27.8Very low29.7Very low216 Ų216153.3 Ų153.382%0.81578%0.781SS**  trans-103.4166.6-154.1-53.3144.6166.8157.9-11.1115.1
566T26.8Very low28.8Very low149 Ų149155.8 Ų155.891%0.91479%0.794SS**  -170.9175.6115.426.10000113.2
567R27.5Very low29Very low223 Ų223157.9 Ų157.984%0.84280%0.796SS**  trans-101166.9176.4-67173.3164.4171.7-7111.7
568D26.4Very low29.1Very low155 Ų155156 Ų15683%0.82979%0.791SS**  -175.3-171106.4-88.9-18.9000112.5
569Q27.6Very low29.2Very low183 Ų183154.3 Ų154.386%0.85578%0.781SS**  trans-104.8158-159.9-56.2174.2-43.700114.2
570E26.1Very low29.5Very low202 Ų202155.3 Ų155.394%0.94479%0.786SS**  -172158.8129.6-106.9170.8-169.200112.6
571E34.8Very low30.2Very low182 Ų182152.9 Ų152.985%0.8578%0.781SS**  trans-142.1151.4178.5-140-177.9-121.700105.8
572P44.9Very low30.4Very low96 Ų96150.7 Ų150.762%0.62378%0.778SS**  -166.9178.484.641.5-18.3000120.1
573W33.7Very low30.4Very low219 Ų219155.9 Ų155.983%0.8379%0.785SS**  trans78.2109.5151.3-57.3128.3000124
574D29.8Very low30.4Very low115 Ų115157.3 Ų157.362%0.61578%0.784SS**  73.4116.3118.3-78.229.8000127.5
575N28.8Very low30.5Very low132 Ų132159.3 Ų159.371%0.70679%0.794SS**  51.7126.5112.5-55.5-29.6000123.2
576V27.6Very low30.7Very low150 Ų150154.1 Ų154.191%0.90979%0.791SS**  -144.8151.5117.3-172.40000108.7
577E31.1Very low31.9Very low171 Ų171152.5 Ų152.580%0.79978%0.783SS**  trans-128.7-176.9-172-163.5165.1-15600111.9
578D30.2Very low31.9Very low131 Ų131148.2 Ų148.270%0.70178%0.782SS**  trans86.2103.5158.4-81.1-40.2000124.8
579T28.9Very low32.2Very low111 Ų111145 Ų14568%0.68178%0.776SS**  66.1107.597.6-53.20000123.6
580E30.1Very low32.8Very low178 Ų178142.4 Ų142.483%0.83278%0.776SS**  trans57.2178.2137.4-79.4-162.6-170.400121
581P41.2Very low33.2Very low111 Ų111139.9 Ų139.972%0.72177%0.767SS**  cis-132.5-1695.643.9-25.3000117.6
582T30.4Very low33.7Very low115 Ų115137.3 Ų137.371%0.70677%0.766SS**  trans-74.7171.6179.450.20000116
583F28.2Very low32.9Very low196 Ų196139.4 Ų139.486%0.8677%0.772SS**  trans-168157.9133.6-102.6-61.7000114
584D28.3Very low34.2Very low137 Ų137134 Ų13473%0.73377%0.765SS**  trans-79.7167.8-176.5-54.8-89.8000115.8
585L30.8Very low34.2Very low173 Ų173135.2 Ų135.291%0.90678%0.776SS**  172.7146.1109.2-89.3170000115
586S31Very low34.4Very low108 Ų108134 Ų13476%0.75577%0.774SS**  trans-97.2-165.1167.9-41.70000110.1
587P52.1Low34.6Very low115 Ų115134.1 Ų134.175%0.74777%0.768SS**  cis-140.1-167.1-5.840.6-20000115
588T27.7Very low34.4Very low133 Ų133132.3 Ų132.382%0.81677%0.769SS**  trans138.4141.9135.2-55.50000114.1
589A32.3Very low34.5Very low86 Ų86130.2 Ų130.271%0.71177%0.77SS**  trans-138.4161.6173.700000111.7
590P40.9Very low35.5Very low130 Ų130130.7 Ų130.784%0.84478%0.775SS**  trans-138.8164.1146.537.4-23.2000115
591I34.3Very low36.2Very low148 Ų148127.5 Ų127.576%0.75977%0.77SS**  trans-107.8163.9176.5-24177.3000109.6
592P45.9Very low36.6Very low128 Ų128127.7 Ų127.783%0.83177%0.771SS**  -151168.195.138.2-19.3000118.3
593D27.8Very low37.5Very low141 Ų141127.8 Ų127.875%0.75477%0.774SS**  trans-86.2-169.8-179.5-88.7-55000115.4
594P60.7Low37.5Very low105 Ų105126.8 Ų126.868%0.68278%0.776SS**  cis-139.9-173.2-42.838.9-21.8000114
595V30.3Very low37.6Very low140 Ų140127.6 Ų127.685%0.84878%0.78SS**  trans167.4164.9139.9145.80000113.3
596V32.5Very low37.6Very low108 Ų108127.7 Ų127.766%0.65578%0.781SS**  -172.8128.6-61.9115.10000113.4
597L32.3Very low37.4Very low151 Ų151131 Ų13179%0.79179%0.787SS**  trans60.5163.5157.9-54176.1000119.7
598T27Very low36.3Very low133 Ų133130.5 Ų130.582%0.81679%0.792SS**  cis-159.3174.52.7-80000113.1
599A31.8Very low36.3Very low87 Ų87132.9 Ų132.972%0.71979%0.794SS**  trans-150.2-177.7166.200000110.5
600P50.6Low36.9Very low122 Ų122133.4 Ų133.479%0.79279%0.79SS**  cis-114.4-111.4-1236.3-14.1000110.5
601P42.9Very low36.3Very low111 Ų111135.9 Ų135.972%0.72180%0.795SS**  cis-127.7173.6-12.843.9-27.7000117
602P50.2Low36Very low115 Ų115140.5 Ų140.575%0.74780%0.803SS**  trans-104-159.9166.643.7-36.8000111.9
603P50.1Low35.1Very low117 Ų117138 Ų13876%0.7680%0.801SS**  cis-134.8-169-1044.5-27.6000114.9
604L28.1Very low35Very low175 Ų175134.8 Ų134.892%0.91680%0.801SS**  trans-168.8158.4145-109176.8000116.1
605N29.7Very low33.7Very low153 Ų153135.3 Ų135.382%0.81881%0.807SS**  trans-101.2160.6-179.7-95-23.2000113.4
606L30.3Very low33.9Very low175 Ų175138 Ų13892%0.91681%0.807SS**  trans-159.1162147.5-112.5175000112.9
607M28.8Very low34.1Very low179 Ų179138.1 Ų138.188%0.88281%0.81SS**  trans-132.1160.3-175.6-87.1-170.3167.400113
608A28.6Very low33.9Very low104 Ų104139.6 Ų139.686%0.8682%0.818SS**  trans81.8134.6150.400000122.1
609E28.1Very low33.9Very low182 Ų182142.4 Ų142.485%0.8582%0.819SS**  trans-46.1-175.2156.1-75.2-166.5129.800117
610P43Very low33.5Very low98 Ų98145.2 Ų145.264%0.63682%0.821SS**  cis-132.9176.3-6.219.45000115.5
611L28.6Very low32.3Very low181 Ų181143.9 Ų143.995%0.94882%0.815SS**  trans-134.1148.5147-93.8175.3000111.9
612R28.8Very low31.5Very low246 Ų246149 Ų14993%0.92882%0.821SS**  trans-112.1142.7-165.9-78.5-176.6167.8-159.6-1.2115.1
613G26.7Very low30.3Very low75 Ų75149.3 Ų149.377%0.77382%0.817SS**  trans168.8127.7155.200000109.8
614G26.6Very low29.5Very low74 Ų74152.1 Ų152.176%0.76382%0.824SS**  cis89.3113.99.400000111.3
615S32.5Very low29.4Very low115 Ų115153.6 Ų153.680%0.80482%0.823SS**  cis-146.8-162.62.2-56.80000108.8
616K35Very low29.4Very low196 Ų196151.3 Ų151.385%0.85283%0.825SS**  cis-163.415717.6-140.6157.2-177.4178.10109.1
617P37.2Very low29.1Very low111 Ų111150.1 Ų150.172%0.72182%0.819SS**  trans-97.9167.8-163.638.6-36.2000115.4
618L27.9Very low29.1Very low182 Ų182149.7 Ų149.795%0.95382%0.815SS**  trans-130168.1157.5-78179.7000111.4
619K27.2Very low28.9Very low193 Ų193156 Ų15684%0.83982%0.817SS**  trans-143.4167.6-161.5-164.9179.8-177-179.80109.9
620L22.8Very low28.7Very low146 Ų146155.9 Ų155.976%0.76481%0.813SS**  trans89.1100.7168.5-57.4162.1000117.1
621S26.3Very low27.8Very low94 Ų94157.2 Ų157.266%0.65782%0.82SS**  22.3142.2121.160.90000120.5
622Y25.9Very low27.5Very low218 Ų218154.6 Ų154.686%0.85581%0.812SS**  -149.8178.3121.1-134.6-101.3000113.7
623N24.8Very low27.4Very low122 Ų122148.6 Ų148.665%0.65280%0.802SS**  trans-91.6160.4-160.4-64.7-84.3000115.5
624L32.9Very low27.3Very low176 Ų176151 Ų15192%0.92180%0.802SS**  trans-48.2137152.6-79.2160.9000111.7
625K25.4Very low27.3Very low205 Ų205152.1 Ų152.189%0.89180%0.798SS**  trans-155122.7155.6-117.1176.6-175.2178.70110.7
626A31.1Very low27Very low105 Ų105151.2 Ų151.287%0.86879%0.792SS**  trans-78.6152.6168.300000110.7
627L23.7Very low26.7Very low151 Ų151153.2 Ų153.279%0.79179%0.794SS**  trans-153.7110.7159.8-175.259.6000110.9
628E27.5Very low26.3Very low169 Ų169154 Ų15479%0.7979%0.793SS**  trans-71.7150.6160.2-52.7175.6111.800110.2
629R24.2Very low26.4Very low237 Ų237152.7 Ų152.789%0.89479%0.786SS**  trans-162.8148138.5-108.4150-164.5-166.92.8113.8
630K24.6Very low26.2Very low179 Ų179146.1 Ų146.178%0.77877%0.773SS**  trans-96161-169.5-57.1171.3174.9177.30112.3
631T23.9Very low26.5Very low127 Ų127151.7 Ų151.778%0.77978%0.784SS**  trans63.4154.5147.545.80000117.5
632T23.5Very low26.5Very low125 Ų125151 Ų15177%0.76779%0.793SS**  cis-172.9162.54.920.20000106.8
633V25.2Very low26.6Very low121 Ų121149.5 Ų149.573%0.73379%0.793SS**  cis-175.7-163.3-14.164.40000107.6
634T24.6Very low26.7Very low126 Ų126151.2 Ų151.277%0.77380%0.797SS**  trans68.3148.417139.70000118.1
635S27.7Very low26.4Very low97 Ų97151.9 Ų151.968%0.67880%0.796SS**  cis-170.5163.4-6.845.40000114
636S26.7Very low26.7Very low96 Ų96150.3 Ų150.367%0.67179%0.791SS**  trans71.3147.3157.970.10000118.3
637W27.8Very low26.9Very low238 Ų238150.6 Ų150.690%0.90279%0.785SS**  cis-146175.53.5-87-43.4000108.3
638D27.8Very low27.2Very low128 Ų128151.4 Ų151.468%0.68478%0.784SS**  cis-176.3172.3-33-167.712.2000108.4
639N30.5Very low28.1Very low153 Ų153148.3 Ų148.382%0.81878%0.779SS**  trans77.8137.7-174.3-47.1-75.4000115.6
640G23.6Very low28.2Very low55 Ų55143.4 Ų143.457%0.56777%0.77SS**  cis156.7149.1-6.800000112.3
641W28.5Very low28.3Very low263 Ų263141.8 Ų141.8100%0.99677%0.77SS**  trans66.2136.4-173.1-40.791.2000112.7
642G26.6Very low28.7Very low81 Ų81142.3 Ų142.384%0.83576%0.764SS**  cis122.8131.619.300000107.7
643Q27.5Very low29.4Very low185 Ų185142.7 Ų142.786%0.86477%0.768SS**  cis-152.5-17815.7-173.6169.5-14.400110.4
644E27.6Very low29.6Very low158 Ų158146.5 Ų146.574%0.73877%0.77SS**  trans-71.7156.2-176.7-57.1134121.700115.5
645E27.3Very low30.2Very low191 Ų191145.8 Ų145.889%0.89377%0.767SS**  172150.4110.8-92.5-17417100112.9
646E31.8Very low30.2Very low171 Ų171150.3 Ų150.380%0.79978%0.775SS**  trans-128.4136.9161-156.6-162-118.100107.1
647P34Very low30.2Very low112 Ų112152.3 Ų152.373%0.72778%0.777SS**  -151.6171.2113.239.5-23.3000115.8
648Q30.8Very low30.3Very low168 Ų168150 Ų15079%0.78578%0.776SS**  trans-81.7-178.2161.5-42.9-178.4-13.100110.8
649P46.2Very low30.4Very low103 Ų103149.8 Ų149.867%0.66978%0.779SS**  cis-135.9-163.3-7.240.7-21.2000114.7
650N26.2Very low30.2Very low135 Ų135147.5 Ų147.572%0.72278%0.781SS**  trans101.1145143.6-95.948.5000124.8
651D27Very low30.5Very low144 Ų144156.7 Ų156.777%0.7780%0.799SS**  trans85.9121.9151.4-60.3-20.1000124.4
652E32.3Very low30.7Very low138 Ų138153 Ų15365%0.64579%0.79SS**  trans-75.5173.5159.8-54.7-173.7137.900111.2R654E652-R654 WeakPolarHBondContact OE2-CG 3.41Å; E652-R654 IonicContact OE2-CZ 3.63Å; E652-R654 IonicContact OE2-NE 2.65Å; E652-R654 PolarHBondContact OE2-NE 2.96Å; E652-R654 VanDerWaalsContact OE2-NE 3.08Å; E652-R654 IonicContact OE2-NH2 2.69Å
653P38.5Very low30.9Very low133 Ų133155.4 Ų155.486%0.86478%0.784SS**  -14615195.435.4-18.5000117.8
654R28.2Very low31Very low202 Ų202150.1 Ų150.176%0.76278%0.779SS**  trans-65.2172.4177.8-50.8161.5-175.1-171.7-7.6114.3E652E652-R654 WeakPolarHBondContact OE2-CG 3.41Å; E652-R654 IonicContact OE2-CZ 3.63Å; E652-R654 IonicContact OE2-NE 2.65Å; E652-R654 PolarHBondContact OE2-NE 2.96Å; E652-R654 VanDerWaalsContact OE2-NE 3.08Å; E652-R654 IonicContact OE2-NH2 2.69Å
655P38Very low31Very low110 Ų110146.3 Ų146.371%0.71478%0.782SS**  -149.9137.6100.335.3-17.9000118.6
656K27.7Very low31.2Very low193 Ų193143.4 Ų143.484%0.83978%0.778SS**  trans59.1120140-57.3167.2-172.5173.40119
657L26.6Very low31.2Very low138 Ų138146.6 Ų146.672%0.72378%0.782SS**  77.4117.350.3-173.381.2000114.7
658H28.9Very low31Very low188 Ų188148.5 Ų148.587%0.8779%0.792SS**  trans-156.8142.4134.7-107.7-71.4000111.9
659T29.6Very low31.2Very low125 Ų125148.6 Ų148.677%0.76780%0.796SS**  trans-126.9153179.634.90000111.2
660A27Very low30.9Very low104 Ų104147.1 Ų147.186%0.8680%0.8SS**  trans-148.6137.916400000110.8
661R30.4Very low31.4Very low248 Ų248149.5 Ų149.594%0.93681%0.807SS**  trans-161.1126.3179.7176.5-168.2-176.4-160.63.5108.7
662K32.7Very low32.2Very low185 Ų185150.7 Ų150.780%0.80481%0.808SS**  trans174.6157.8164.8-105.1-167.4177.5-103.30109.2
663D31.2Very low32.4Very low132 Ų132153.1 Ų153.171%0.70682%0.816SS**  cis-152.4175.2-20.6-142.2-29.1000108.6
664G29.2Very low32.3Very low74 Ų74152.3 Ų152.376%0.76381%0.809SS**  trans-81.3168.2-170.900000118
665G27.7Very low32.9Very low78 Ų78149.6 Ų149.680%0.80481%0.809SS**  trans-156.6160.3173.400000111.3
666T31.2Very low32.8Very low131 Ų131153.1 Ų153.180%0.80482%0.816SS**  trans-128.7134.2-160.7-56.60000114.6
667R31.8Very low33.4Very low238 Ų238150.1 Ų150.190%0.89881%0.813SS**  trans58.7132.8164.9-82.5175.9161.6-179.9-6.3118.2
668V30.7Very low33.9Very low152 Ų152153 Ų15392%0.92182%0.82SS**  -164.2168.2110.2140.20000108.5
669L34.1Very low34.3Very low169 Ų169154 Ų15489%0.88582%0.816SS**  trans-116.1128.6-171.5-173.281.4000110.8
670G40.7Very low34.5Very low72 Ų72157 Ų15774%0.74282%0.818SS**  trans85.999.2160.500000117
671E36.7Very low35Very low186 Ų186161 Ų16187%0.86982%0.819SS**  trans-132.7153.1151.1-74.5-169.5146.400109
672E43.1Very low35.3Very low169 Ų169156 Ų15679%0.7981%0.806SS**  trans-89.2130.3-171.9-176.3-174.4140.600111.4
673F36.1Very low35.6Very low188 Ų188158.6 Ų158.683%0.82581%0.811SS**  trans-102.694.5173.5-73-81.2000110.8I675F673-I675 PolarHBondContact O-N 2.78Å
674T36.4Very low36Very low117 Ų117159.8 Ų159.872%0.71882%0.817SS**  trans-64.3121.5171.9-43.20000110.2
675I41.6Very low36.9Very low145 Ų145162 Ų16274%0.74482%0.818SS**  trans-92.1106.4-180-58.2177.2000109.6F673 V677F673-I675 PolarHBondContact O-N 2.78Å; I675-V677 PolarHBondContact O-N 3.49Å
676E36.5Very low37.9Very low184 Ų184166.6 Ų166.686%0.8682%0.819SS**  trans-72.4107.3170-69.6-166.8157.100111.1K678E676-K678 PolarHBondContact O-N 3.45Å
677V39Very low38.7Very low129 Ų129168.2 Ų168.278%0.78282%0.822SS**  trans-77109175.2-179.40000109.7I675 R679I675-V677 PolarHBondContact O-N 3.49Å; V677-R679 PolarHBondContact O-N 3.43Å
678K36.5Very low39.7Very low199 Ų199163.1 Ų163.187%0.86581%0.812SS**PPolyproline II helixtrans-63.2117.6170.2-75.9-173175.3-179.10110.2E676 K680E676-K678 PolarHBondContact O-N 3.45Å; K678-K680 PolarHBondContact O-N 3.48Å
679R37.7Very low40.5Very low209 Ų209164.9 Ų164.979%0.78981%0.808SS**PPolyproline II helixtrans-52.7124.6176.5-177.6173.8175.5171.4-3.3110.2V677 E682V677-R679 PolarHBondContact O-N 3.43Å; R679-E682 IonicContact CZ-OE1 3.91Å; R679-E682 IonicContact NE-OE1 3.27Å; R679-E682 IonicContact NH2-OE1 2.75Å; R679-E682 PolarHBondContact NH2-OE1 3.11Å
680K35.2Very low41Very low189 Ų189165.3 Ų165.382%0.82280%0.803SS**PPolyproline II helixtrans-71.6143177-162.9176.2-177-177.70109.4K678K678-K680 PolarHBondContact O-N 3.48Å
681Q35.7Very low41.3Very low186 Ų186165 Ų16587%0.86979%0.794SS**PPolyproline II helixtrans-67.8134.9177.8-165.8168.1-0.700110
682E37Very low41.8Very low145 Ų145163.9 Ų163.968%0.67879%0.793SS**PPolyproline II helixtrans-67150.2177.8-77.5143-155.100110.7R679R679-E682 IonicContact CZ-OE1 3.91Å; R679-E682 IonicContact NE-OE1 3.27Å; R679-E682 IonicContact NH2-OE1 2.75Å; R679-E682 PolarHBondContact NH2-OE1 3.11Å
683R39.5Very low41.7Very low239 Ų239163.7 Ų163.790%0.90280%0.795SS**PPolyproline II helixtrans-103.3149.2173.7-80.7-177.7166.9-178-7.2109.1
684D39.2Very low42.4Very low156 Ų156163.6 Ų163.683%0.83480%0.797SS**PPolyproline II helixtrans-58.5142.9172.1-94.6-49.5000111.7
685P47.9Very low42.5Very low121 Ų121163 Ų16379%0.78680%0.795SS**  trans-97.110.8-172.839.3-37.5000114.6
686E49.8Very low42.2Very low174 Ų174162.5 Ų162.581%0.81379%0.793SS**  trans-107.3141.7-178.2-64.4-169.5170.300112.2
687L46.7Very low42.6Very low166 Ų166160 Ų16087%0.86979%0.785SS**  trans81.765.1-176.9-53.3173.7000117.4
688D52.8Low42.3Very low131 Ų131161.8 Ų161.870%0.70178%0.782SS**  trans-135.967.2150.9-159.2-10.8000111.3F690D688-F690 VanDerWaalsContact C-N 3.29Å; D688-F690 PolarHBondContact O-N 3.24Å
689F47.9Very low42.2Very low188 Ų188160.2 Ų160.283%0.82578%0.782SS**THydrogen-bonded Turntrans-8817.4-174.3-101.3-79.8000114.4
690F45.5Very low42Very low179 Ų179155.6 Ų155.679%0.78578%0.782SS**THydrogen-bonded Turntrans-129.22.6-175.3-77.9-82.8000114.7D688D688-F690 VanDerWaalsContact C-N 3.29Å; D688-F690 PolarHBondContact O-N 3.24Å
691A46.3Very low42.1Very low66 Ų66152.1 Ų152.155%0.54578%0.782SS.*THydrogen-bonded Turntrans-72.8-30.5-177.200000114.7M693A691-M693 PolarHBondContact O-N 3.08Å
692D48.3Very low42Very low161 Ų161148.1 Ų148.186%0.86178%0.78SS**THydrogen-bonded Turntrans-95.718.7-166-64.5-23.2000115E694D692-E694 PolarHBondContact O-N 3.25Å
693M40.3Very low41.8Very low166 Ų166148.3 Ų148.382%0.81879%0.791SS**  trans-97.370.3-179.3-77.3-74.5-70.400112.5A691A691-M693 PolarHBondContact O-N 3.08Å
694E49.9Very low41.5Very low186 Ų186140.9 Ų140.987%0.86978%0.781SS**  trans-76.5132.4169.7-67-166.1145.700111.8D692D692-E694 PolarHBondContact O-N 3.25Å
695P40Very low41.2Very low104 Ų104141.8 Ų141.868%0.67579%0.785SS**  trans-82.4126.8175.631.3-32.8000112.4I697P695-I697 PolarHBondContact O-N 2.76Å
696D34.5Very low40.6Very low134 Ų134144 Ų14472%0.71779%0.789SS**  trans-74.177.1-176.7-169.330000112.9K698D696-K698 PolarHBondContact O-N 3.14Å; D696-K698 VanDerWaalsContact OD2-CE 3.24Å; D696-K698 WeakPolarHBondContact OD2-CE 3.35Å; D696-K698 IonicContact OD2-NZ 3.48Å; D696-K698 PolarHBondContact OD2-NZ 2.99Å
697I44.4Very low39.7Very low132 Ų132143.1 Ų143.168%0.67779%0.789SS**  trans-79.999.7-177.4-59174.2000111.3P695 L699P695-I697 PolarHBondContact O-N 2.76Å; I697-L699 PolarHBondContact O-N 3.22Å
698K33.3Very low39Very low167 Ų167141.2 Ų141.273%0.72679%0.786SS**  trans-76.789.4175.7-70.1174.2-176.5162.50112.2D696 S700D696-K698 PolarHBondContact O-N 3.14Å; D696-K698 VanDerWaalsContact OD2-CE 3.24Å; D696-K698 WeakPolarHBondContact OD2-CE 3.35Å; D696-K698 IonicContact OD2-NZ 3.48Å; D696-K698 PolarHBondContact OD2-NZ 2.99Å; K698-S700 PolarHBondContact O-N 2.92Å
699L34.6Very low37.8Very low165 Ų165141.6 Ų141.686%0.86479%0.793SS**  trans-60.3116.1173-71.9171.4000111.6I697I697-L699 PolarHBondContact O-N 3.22Å
700S33.7Very low36.8Very low112 Ų112142.1 Ų142.178%0.78380%0.795SS**  trans-95.4114.7175.2-66.80000111.5K698K698-S700 PolarHBondContact O-N 2.92Å
701S37.2Very low36Very low117 Ų117139 Ų13982%0.81880%0.795SS**SBendtrans5395.5157.2-61.30000120
702A33.7Very low35Very low102 Ų102143.6 Ų143.684%0.84381%0.811SS**  trans50.495.4131.900000119.8
703V33.1Very low34Very low148 Ų148142.8 Ų142.890%0.89781%0.812SS**PPolyproline II helixtrans-85.8118.9152.5177.80000108.8
704A33.2Very low33.5Very low83 Ų83140.2 Ų140.269%0.68681%0.81SS**PPolyproline II helixtrans-84.2137.1179.800000112.2
705L33Very low32.5Very low176 Ų176138.5 Ų138.592%0.92181%0.806SS**PPolyproline II helixtrans-67.4136.5174.2-64.8166.9000111
706L33.6Very low31.9Very low167 Ų167140.1 Ų140.187%0.87482%0.815SS**  trans-128116.9173-74.6175.9000112
707L31.2Very low31.6Very low156 Ų156137 Ų13782%0.81782%0.815SS**  trans-96.5158.2163.5-81.9171.2000109.9V709L707-V709 PolarHBondContact O-N 2.95Å
708P33.3Very low30.8Very low125 Ų125138.1 Ų138.181%0.81282%0.821SS**  trans-76.5128.7-161.628.7-35.7000113.9
709V27.1Very low30.6Very low139 Ų139138.6 Ų138.684%0.84283%0.831SS**  trans-105.8135.2171.1175.90000109.9L707L707-V709 PolarHBondContact O-N 2.95Å
710K26.5Very low30.3Very low200 Ų200136.9 Ų136.987%0.8783%0.827SS**  trans-82.9137.5174-58.6170.4-177.4173.50109.9
711S28.8Very low30Very low112 Ų112136.1 Ų136.178%0.78383%0.828SS**  trans-119.1116.3167.444.10000110.7
712N24.7Very low29.6Very low164 Ų164134.9 Ų134.988%0.87782%0.824SS**  trans-79.2153.3163.9-81.1-5.6000109.5
713V28.6Very low30.2Very low144 Ų144135.5 Ų135.587%0.87382%0.82SS**  trans-102.7128.5177.7176.20000110.6
714S29.2Very low29.9Very low112 Ų112134.3 Ų134.378%0.78382%0.818SS**  trans174.3147.8153.354.50000110.6
715D28.7Very low29.7Very low149 Ų149138.4 Ų138.480%0.79782%0.823SS**  cis-170.1-171.9-27.2-160.1-9.1000106.9
716T28.5Very low29.4Very low138 Ų138138 Ų13885%0.84782%0.816SS**  trans95.4135176.571.10000116.2
717G26.9Very low29.1Very low70 Ų70136.9 Ų136.972%0.72282%0.816SS**  cis-164.5162.9-1.100000115.5
718L28.6Very low29Very low154 Ų154138 Ų13881%0.80682%0.818SS**  trans-56.7154.1-169.8-75.464.9000116.5
719L29.4Very low29Very low178 Ų178138.3 Ų138.393%0.93282%0.819SS**  -140.5156.8120.7-81.9-170.3000111.8
720T28.4Very low29Very low128 Ų128137.1 Ų137.179%0.78582%0.818SS**  trans-93.6173-177.752.50000111.4
721A26.8Very low29.3Very low97 Ų97133.9 Ų133.980%0.80281%0.814SS**  cis-156.5-173.923.500000113.5
722A28.5Very low29.2Very low90 Ų90136.1 Ų136.174%0.74482%0.817SS**  trans-112.7-170.3175.600000110.4
723P45.4Very low29.5Very low116 Ų116133.5 Ų133.575%0.75381%0.808SS**  cis-137.7174.6-3.543.5-27.4000115.9
724S28.5Very low29.5Very low123 Ų123134.4 Ų134.486%0.8681%0.807SS**  169.1168.4124.465.50000115
725E27.4Very low29.7Very low169 Ų169134.7 Ų134.779%0.7980%0.804SS**  trans-72.3161-158.7-72.1164.6178.900121
726H27.1Very low29.6Very low167 Ų167135.9 Ų135.977%0.77381%0.809SS**  trans51.3116.6145.9-65.9-56.3000122.3
727T27.2Very low29.8Very low143 Ų143134.7 Ų134.788%0.87780%0.804SS**  -176.7163.4115.6-720000110.2
728E30.6Very low30.2Very low180 Ų180136.3 Ų136.384%0.84181%0.811SS**  trans-68.5154-178.5-56-178.2168.100114.7
729P32.5Very low30.4Very low131 Ų131138 Ų13885%0.85181%0.811SS**  trans-96.8105.9167.134.7-28.1000112.3
730S27.1Very low30.6Very low115 Ų115140.1 Ų140.180%0.80481%0.814SS**  trans-78.1154.2156.757.40000110.8D732S730-D732 PolarHBondContact O-N 3.12Å
731V33.1Very low30.7Very low132 Ų132139.1 Ų139.180%0.882%0.818SS**  trans-51.9131.9178.1177.70000112.7
732D25.4Very low30.9Very low158 Ų158139.5 Ų139.585%0.84582%0.821SS**  trans-153.6163.9136.4-139-26.5000112.9S730S730-D732 PolarHBondContact O-N 3.12Å
733T31.9Very low31Very low110 Ų110139.6 Ų139.668%0.67582%0.822SS**  trans-121.4116.9-164.2-560000112.6
734L28.6Very low30.3Very low163 Ų163141.7 Ų141.785%0.85383%0.827SS**  trans-139.6102.8168.2-79-179000114.4
735T32.8Very low30.4Very low118 Ų118145 Ų14572%0.72483%0.828SS**  trans13.3128.7136.157.10000119.9
736L27.4Very low30.5Very low173 Ų173142.8 Ų142.891%0.90683%0.827SS**  trans-122158.8151.2-78.6177.2000110.4
737P33Very low31Very low113 Ų113143.5 Ų143.573%0.73483%0.831SS**  trans-98.6146.1-137.335.1-37000116.3K739P737-K739 PolarHBondContact O-N 3.49Å
738A33.9Very low31Very low105 Ų105143.8 Ų143.887%0.86883%0.832SS**  trans-76119.2164.200000111.3
739K34.2Very low31.1Very low188 Ų188144.6 Ų144.682%0.81784%0.836SS**  trans-145.791.9160.1-87.1-166.3175.4-176.50109.5P737P737-K739 PolarHBondContact O-N 3.49Å
740F33Very low30.9Very low224 Ų224142.7 Ų142.798%0.98283%0.831SS**  trans177.684.1143.8-88.5-56.3000107.2
741A30.8Very low31Very low106 Ų106145.9 Ų145.988%0.87683%0.834SS**  trans-123.8136.4171.500000107.8
742A30.2Very low30.8Very low105 Ų105142.9 Ų142.987%0.86883%0.829SS**  trans-133.3138.2179.300000109.2
743A29.9Very low31.2Very low92 Ų92147.4 Ų147.476%0.7684%0.835SS**  trans-50.7143.9-16200000117.4
744D31.1Very low31Very low160 Ų160151.5 Ų151.586%0.85685%0.846SS**  trans-60.5151.3151.7-62.1-67.4000111
745Q30.5Very low31.3Very low192 Ų192153.2 Ų153.290%0.89785%0.85SS**  trans-133141.6160-68.9-170.25.300109.3
746T30.4Very low31.1Very low124 Ų124150.8 Ų150.876%0.76185%0.848SS**  trans-101133.6-172.448.60000112.6
747E37.7Very low31.2Very low181 Ų181150.6 Ų150.685%0.84685%0.848SS**  trans49.6125.2140.7-61.2176.7165.800120.8
748T27.4Very low31.4Very low149 Ų149152.9 Ų152.991%0.91485%0.854SS**  trans-138131.6139.138.30000110.3
749E32.1Very low31.4Very low197 Ų197155.2 Ų155.292%0.92185%0.851SS**  trans-96.9139.8168-63.9-175.2125.800110.6
750A29.2Very low31.3Very low91 Ų91153.3 Ų153.375%0.75285%0.85SS**  trans179148.4159.100000108
751E28.6Very low31.5Very low182 Ų182153.9 Ų153.985%0.8585%0.846SS**  cis-150.3157.8-8.1-135.8169.9177.700108.2
752G27.8Very low31.5Very low69 Ų69151.3 Ų151.371%0.71183%0.83SS**  trans-82.2157.3178.100000113.2
753W35.4Very low31.8Very low254 Ų254155.7 Ų155.796%0.96283%0.832SS**  trans-120.3140163.1-76.982.3000109.4
754E28.1Very low32Very low195 Ų195159.3 Ų159.391%0.91184%0.839SS**  trans-84.7-176.4-167.3-66-174.6125.100114.3
755E33.5Very low32.3Very low199 Ų199160.1 Ų160.193%0.9384%0.838SS**  trans-58.2152.7-173.1-52.4173.5127.400115
756G29Very low32.5Very low67 Ų67158.3 Ų158.369%0.69183%0.834SS**  trans156.469.5163.400000117.9
757D29.9Very low33.6Very low170 Ų170157 Ų15791%0.90983%0.828SS**  162.3132.5122.3-88.4-10.9000113.3
758D37Very low33.4Very low160 Ų160163.7 Ų163.786%0.85685%0.846SS**  trans-79.3128.8176.1-75.7-60000112.4
759L34.3Very low33.7Very low154 Ų154164.5 Ų164.581%0.80684%0.842SS**  trans-130.283.3161.3-76.3179.6000111.9W761L759-W761 PolarHBondContact O-N 3.41Å
760N30.9Very low33.8Very low148 Ų148162.7 Ų162.779%0.79184%0.838SS**  trans-63.7113.8169.7171.846.3000111.8G762N760-G762 PolarHBondContact O-N 3.35Å
761W36.9Very low34Very low236 Ų236166.7 Ų166.789%0.89484%0.843SS**  trans-91.389.6166.9-75101000110.2L759L759-W761 PolarHBondContact O-N 3.41Å
762G31.1Very low34.4Very low52 Ų52165.8 Ų165.854%0.53684%0.842SS.*  trans-67.3149.3174.500000112.9N760N760-G762 PolarHBondContact O-N 3.35Å
763E36.2Very low34.8Very low197 Ų197171.9 Ų171.992%0.92185%0.85SS**  trans-71.3137.5163.2-58.4173.6128.700109.1
764D35.6Very low34.7Very low169 Ų169166.4 Ų166.490%0.90484%0.843SS**  trans-137.7127.2169.1-117.5-32.8000109.9
765E36.8Very low35.2Very low177 Ų177164.4 Ų164.483%0.82784%0.838SS**  trans-97.7112.4-172.4-66.2-171.5112.300112.7
766N34.7Very low35.3Very low154 Ų154161.7 Ų161.782%0.82483%0.831SS**  trans59.8-177153.6-91.6-36.6000116.8
767P54.1Low35.9Very low97 Ų97169.6 Ų169.663%0.6384%0.843SS**  cis-116.9177.4-46.836.6-25.8000110.3
768W32.8Very low36.4Very low321 Ų321169.5 Ų169.5100%1.21684%0.837SS**  trans177.50132.5-96.6107.2000110.7

Retrieved 768 of 768 residues in 149.3 ms (Link to these results)