A0A077ZKR7_TRITR Loading...

SH2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZKR7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 694 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
1M31.1Very low62.4Low242 Ų242115.2 Ų115.2100%1.19256%0.562SS**  0104.80-94.6-178.3-79.400105.5A3M1-A3 PolarHBondContact O-N 2.95Å
2E27.8Very low64.8Low195 Ų195105.8 Ų105.891%0.91152%0.517SS*.  trans-52.8129166.6-73.7165.3146.200107E4E2-E4 PolarHBondContact O-N 3.07Å
3A30.4Very low66.9Low90 Ų9097.7 Ų97.774%0.74448%0.477SS*.  trans-58.3108.2172.500000106.5M1 K5M1-A3 PolarHBondContact O-N 2.95Å; A3-K5 PolarHBondContact O-N 3.37Å
4E41.5Very low68.3Low150 Ų15093.9 Ų93.970%0.70147%0.465SS*.  trans-49.9110.2163.2-83.3178.1162.900105.1E2 H6E2-E4 PolarHBondContact O-N 3.07Å; E4-H6 PolarHBondContact O-CD2 3.42Å; E4-H6 PolarHBondContact O-N 3.24Å; E4-H6 IonicContact OE2-CE1 3.57Å; E4-H6 PolarHBondContact OE2-CE1 3.14Å
5K49.3Very low69.3Low196 Ų19689.5 Ų89.585%0.85245%0.449SS*.  trans-67.184.1174.2-87.5-171.2174.2-171.60106A3 R7A3-K5 PolarHBondContact O-N 3.37Å; K5-R7 PolarHBondContact O-N 2.79Å; K5-R7 VanDerWaalsContact O-N 3.13Å
6H63.1Low70.5Confident83 Ų8384.3 Ų84.338%0.38442%0.423SS..  trans-62.1115.1175-58.9-62.8000107.5E4 W406 Y413E4-H6 PolarHBondContact O-CD2 3.42Å; E4-H6 PolarHBondContact O-N 3.24Å; E4-H6 IonicContact OE2-CE1 3.57Å; E4-H6 PolarHBondContact OE2-CE1 3.14Å; H6-W406 AromaticContact CD2-CH2 3.94Å; H6-W406 AromaticContact CD2-CZ3 3.91Å; H6-Y413 HydrophobicContact CB-CD1 3.21Å; H6-Y413 HydrophobicContact CB-CD2 4.37Å; H6-Y413 HydrophobicContact CB-CE1 3.6Å; H6-Y413 HydrophobicContact CB-CG 3.62Å
7R81.9Confident71.4Confident193 Ų19380.8 Ų80.873%0.72841%0.408SS*.PPolyproline II helixtrans-85.4129.3-178.6-68-176.8179.2176.4-1.3109.2K5 L414K5-R7 PolarHBondContact O-N 2.79Å; K5-R7 VanDerWaalsContact O-N 3.13Å; R7-L414 HydrophobicContact CB-CD1 4.15Å; R7-L414 WeakPolarHBondContact O-CG 3.21Å; R7-L414 PolarHBondContact O-N 2.94Å
8L87.5Confident72.4Confident93 Ų9376.6 Ų76.649%0.48739%0.386SS..PPolyproline II helixtrans-79.3152.3168.6-70.3170.3000109.7L412 Y413L8-L412 HydrophobicContact CD2-CB 4.33Å; L8-Y413 HydrophobicContact CD2-CD1 3.71Å; L8-Y413 HydrophobicContact CD2-CE1 3.7Å; L8-Y413 HydrophobicContact CD2-CG 4.39Å; L8-Y413 HydrophobicContact CG-CD1 4.09Å; L8-Y413 HydrophobicContact CG-CE1 3.98Å
9P91.8Very high73.4Confident4 Ų473.1 Ų73.13%0.02637%0.368CS..PPolyproline II helixtrans-66.8155.6171.332.2-39.1000110.9L412 L414 E498 K501 L505P9-L412 VanDerWaalsContact CD-O 3.24Å; P9-L412 WeakPolarHBondContact CD-O 3.36Å; P9-L414 HydrophobicContact CB-CD2 4.14Å; P9-E498 HydrophobicContact CB-CG 3.91Å; P9-K501 HydrophobicContact CB-CB 3.84Å; P9-K501 HydrophobicContact CG-CB 3.64Å; P9-L505 HydrophobicContact CG-CB 4.4Å; P9-L505 HydrophobicContact CG-CD2 3.99Å
10A91.9Very high74.1Confident5 Ų570 Ų704%0.04135%0.352CS..PPolyproline II helixtrans-68.6144.7166.400000110.9V86 R89 L493 E498 S502A10-V86 HydrophobicContact CB-CB 4.4Å; A10-V86 HydrophobicContact CB-CG1 3.89Å; A10-V86 HydrophobicContact CB-CG2 4.48Å; A10-R89 HydrophobicContact CB-CG 4.29Å; A10-L493 HydrophobicContact CB-CD2 4.24Å; A10-E498 PolarHBondContact N-OE1 2.94Å; A10-S502 VanDerWaalsContact O-CB 3.26Å; A10-S502 WeakPolarHBondContact O-CB 3.44Å; A10-S502 PolarHBondContact O-OG 3.14Å
11S90.3Very high74.7Confident16 Ų1667.7 Ų67.711%0.11235%0.346CS..PPolyproline II helixtrans-98.1147.7176.8-60.30000110.4
12P90.6Very high77.5Confident3 Ų359 Ų592%0.01931%0.307CS..PPolyproline II helixtrans-59.8153.2168.726.4-34.3000111S14 A15 L16 L481 E491 T506P12-S14 PolarHBondContact O-N 3.39Å; P12-A15 HydrophobicContact CG-CB 3.95Å; P12-A15 WeakPolarHBondContact O-CB 3.39Å; P12-A15 PolarHBondContact O-N 2.91Å; P12-L16 PolarHBondContact O-N 3.39Å; P12-L481 HydrophobicContact CB-CB 4.29Å; P12-L481 HydrophobicContact CB-CD1 4.4Å; P12-E491 WeakPolarHBondContact CA-OE2 3.45Å; P12-T506 HydrophobicContact CG-CG2 3.91Å
13L92Very high80.3Confident0 Ų052.2 Ų52.20%028%0.275CS..G310 helixtrans-47.8-46.2-179.4179.563.9000112.2A15 L16 F19 L40 L50 V87 E488 P489 E491L13-A15 PolarHBondContact O-N 3Å; L13-A15 VanDerWaalsContact O-N 3.14Å; L13-L16 HydrophobicContact CD1-CD1 4.1Å; L13-L16 WeakPolarHBondContact O-CB 3.34Å; L13-L16 PolarHBondContact O-N 3.37Å; L13-L16 VanDerWaalsContact O-N 3.08Å; L13-F19 HydrophobicContact CD1-CB 4.2Å; L13-F19 HydrophobicContact CD1-CD1 4.5Å; L13-F19 HydrophobicContact CD1-CD2 3.58Å; L13-F19 HydrophobicContact CD1-CE2 4Å; L13-F19 HydrophobicContact CD1-CG 3.85Å; L13-F19 HydrophobicContact CD2-CD2 4.17Å; L13-F19 HydrophobicContact CD2-CE1 4.38Å; L13-F19 HydrophobicContact CD2-CE2 3.71Å; L13-F19 HydrophobicContact CD2-CZ 3.81Å; L13-F19 HydrophobicContact CG-CD1 4.03Å; L13-F19 HydrophobicContact CG-CD2 3.75Å; L13-F19 HydrophobicContact CG-CE1 4.03Å; L13-F19 HydrophobicContact CG-CE2 3.77Å; L13-F19 HydrophobicContact CG-CG 3.87Å; L13-F19 HydrophobicContact CG-CZ 3.9Å; L13-F19 VanDerWaalsContact O-CB 3.29Å; L13-F19 WeakPolarHBondContact O-CB 3.12Å; L13-F19 VanDerWaalsContact O-CD1 3.31Å; L13-F19 WeakPolarHBondContact O-CD1 3.46Å; L13-F19 WeakPolarHBondContact O-CG 3.35Å; L13-L40 HydrophobicContact CD1-CD1 3.83Å; L13-L50 HydrophobicContact CD1-CD1 4.17Å; L13-L50 HydrophobicContact CD2-CD1 3.94Å; L13-L50 HydrophobicContact CD2-CD2 4.23Å; L13-V87 HydrophobicContact CD1-CB 4.4Å; L13-V87 HydrophobicContact CD1-CG1 4.15Å; L13-E488 HydrophobicContact CD2-CG 4.38Å; L13-P489 HydrophobicContact CD2-CG 4.04Å; L13-E491 WeakPolarHBondContact CB-OE2 3.49Å; L13-E491 PolarHBondContact N-OE2 2.93Å
14S86.7Confident83.1Confident45 Ų4552.7 Ų52.732%0.31526%0.262SS..G310 helixtrans-62.6-19.1-18065.60000114.7P12 A484 E488P12-S14 PolarHBondContact O-N 3.39Å; S14-A484 VanDerWaalsContact CB-CB 3.49Å; S14-E488 WeakPolarHBondContact CB-OE2 3.29Å
15A84.1Confident85.3Confident27 Ų2745.9 Ų45.922%0.22323%0.232CC..G310 helixtrans-98.9-5.9178.900000112.8P12 L13 Q124 T506P12-A15 HydrophobicContact CG-CB 3.95Å; P12-A15 WeakPolarHBondContact O-CB 3.39Å; P12-A15 PolarHBondContact O-N 2.91Å; L13-A15 PolarHBondContact O-N 3Å; L13-A15 VanDerWaalsContact O-N 3.14Å; A15-Q124 PolarHBondContact O-NE2 3.05Å; A15-T506 HydrophobicContact CB-CG2 3.5Å; A15-T506 VanDerWaalsContact CB-CG2 3.5Å
16L88.3Confident87.2Confident6 Ų641 Ų413%0.03121%0.214CC..  trans-69.9134.8-179-62.5-179.2000111.1P12 L13 Y18 F19 L40 Q88P12-L16 PolarHBondContact O-N 3.39Å; L13-L16 HydrophobicContact CD1-CD1 4.1Å; L13-L16 WeakPolarHBondContact O-CB 3.34Å; L13-L16 PolarHBondContact O-N 3.37Å; L13-L16 VanDerWaalsContact O-N 3.08Å; L16-Y18 HydrophobicContact CB-CD2 4.42Å; L16-Y18 HydrophobicContact CB-CE2 4.16Å; L16-Y18 HydrophobicContact CD1-CE2 3.82Å; L16-Y18 PolarHBondContact O-N 3.23Å; L16-Y18 VanDerWaalsContact O-N 3.13Å; L16-F19 HydrophobicContact CB-CB 4.14Å; L16-F19 PolarHBondContact O-N 3.32Å; L16-F19 VanDerWaalsContact O-N 3.16Å; L16-L40 HydrophobicContact CD1-CD1 4.23Å; L16-Q88 HydrophobicContact CD1-CB 4.15Å; L16-Q88 HydrophobicContact CD2-CB 3.82Å; L16-Q88 HydrophobicContact CD2-CG 3.65Å
17P84.9Confident88.4Confident25 Ų2540.2 Ų40.216%0.16222%0.215CC..THydrogen-bonded Turntrans-57.9-31.6-179.517-26.8000112.7N122 Y123 Q124P17-N122 WeakPolarHBondContact CA-OD1 3.46Å; P17-N122 WeakPolarHBondContact CB-OD1 3.5Å; P17-N122 CarbonylContact O-C 3.53Å; P17-N122 WeakPolarHBondContact O-CA 3.38Å; P17-N122 PolarHBondContact O-OD1 3.21Å; P17-Y123 WeakPolarHBondContact O-CA 3.2Å; P17-Y123 WeakPolarHBondContact O-CB 3.36Å; P17-Y123 PolarHBondContact O-N 3.44Å; P17-Q124 HydrophobicContact CB-CG 4.2Å; P17-Q124 PolarHBondContact O-N 3.27Å
18Y90.3Very high88.7Confident6 Ų631.1 Ų31.12%0.02418%0.181CC..THydrogen-bonded Turntrans-100.916.1-176.247.3-97.6000114.1L16 H20 F38 L40 I91 Q120 V121L16-Y18 HydrophobicContact CB-CD2 4.42Å; L16-Y18 HydrophobicContact CB-CE2 4.16Å; L16-Y18 HydrophobicContact CD1-CE2 3.82Å; L16-Y18 PolarHBondContact O-N 3.23Å; L16-Y18 VanDerWaalsContact O-N 3.13Å; Y18-H20 PolarHBondContact O-CD2 3.11Å; Y18-F38 AromaticContact CD2-CE2 3.95Å; Y18-F38 HydrophobicContact CD2-CE2 3.95Å; Y18-F38 HydrophobicContact CE2-CE2 4.31Å; Y18-F38 HydrophobicContact CG-CE2 4.09Å; Y18-L40 HydrophobicContact CD2-CD1 3.74Å; Y18-L40 HydrophobicContact CD2-CG 3.83Å; Y18-L40 HydrophobicContact CE2-CD1 3.56Å; Y18-L40 HydrophobicContact CE2-CG 4.1Å; Y18-L40 PolarHBondContact O-N 3.12Å; Y18-I91 HydrophobicContact CE2-CG1 4.37Å; Y18-I91 HydrophobicContact CE2-CG2 4.07Å; Y18-Q120 HydrophobicContact CD1-CB 3.72Å; Y18-Q120 HydrophobicContact CD1-CG 4.09Å; Y18-Q120 VanDerWaalsContact CE1-OE1 3.26Å; Y18-Q120 HydrophobicContact CG-CB 4.07Å; Y18-V121 WeakPolarHBondContact CA-O 3.31Å
19F91Very high88.8Confident10 Ų1030 Ų304%0.04417%0.174CC..EExtended strand (participates in β ladder)trans-98120.7171.8178.5-114.5000110.8L13 L16 L40 L42 L50 Y123 E488L13-F19 HydrophobicContact CD1-CB 4.2Å; L13-F19 HydrophobicContact CD1-CD1 4.5Å; L13-F19 HydrophobicContact CD1-CD2 3.58Å; L13-F19 HydrophobicContact CD1-CE2 4Å; L13-F19 HydrophobicContact CD1-CG 3.85Å; L13-F19 HydrophobicContact CD2-CD2 4.17Å; L13-F19 HydrophobicContact CD2-CE1 4.38Å; L13-F19 HydrophobicContact CD2-CE2 3.71Å; L13-F19 HydrophobicContact CD2-CZ 3.81Å; L13-F19 HydrophobicContact CG-CD1 4.03Å; L13-F19 HydrophobicContact CG-CD2 3.75Å; L13-F19 HydrophobicContact CG-CE1 4.03Å; L13-F19 HydrophobicContact CG-CE2 3.77Å; L13-F19 HydrophobicContact CG-CG 3.87Å; L13-F19 HydrophobicContact CG-CZ 3.9Å; L13-F19 VanDerWaalsContact O-CB 3.29Å; L13-F19 WeakPolarHBondContact O-CB 3.12Å; L13-F19 VanDerWaalsContact O-CD1 3.31Å; L13-F19 WeakPolarHBondContact O-CD1 3.46Å; L13-F19 WeakPolarHBondContact O-CG 3.35Å; L16-F19 HydrophobicContact CB-CB 4.14Å; L16-F19 PolarHBondContact O-N 3.32Å; L16-F19 VanDerWaalsContact O-N 3.16Å; F19-L40 CarbonylContact C-O 3.56Å; F19-L40 WeakPolarHBondContact CA-O 3.5Å; F19-L40 HydrophobicContact CB-CB 4.35Å; F19-L40 HydrophobicContact CD2-CB 3.85Å; F19-L42 HydrophobicContact CE2-CG 4Å; F19-L42 HydrophobicContact CZ-CD1 4.09Å; F19-L42 HydrophobicContact CZ-CG 3.87Å; F19-L50 HydrophobicContact CE2-CD1 4.22Å; F19-Y123 WeakPolarHBondContact O-CB 3.48Å; F19-E488 HydrophobicContact CZ-CG 4.5Å
20H87.7Confident88.7Confident10 Ų1039.4 Ų39.45%0.04621%0.208CC..EExtended strand (participates in β ladder)trans-10015.2-173-70.9-124.1000113Y18 Q23 L39 L40 V121 Y123Y18-H20 PolarHBondContact O-CD2 3.11Å; H20-Q23 HydrophobicContact CB-CG 4.2Å; H20-Q23 WeakPolarHBondContact O-CG 3.34Å; H20-Q23 PolarHBondContact O-NE2 3.02Å; H20-L39 HydrophobicContact CB-CD1 4.27Å; H20-L40 PolarHBondContact N-O 3.19Å; H20-V121 PolarHBondContact NE2-O 3.21Å; H20-Y123 HydrophobicContact CB-CD2 3.91Å; H20-Y123 HydrophobicContact CB-CE2 4.48Å; H20-Y123 HydrophobicContact CB-CG 4.42Å; H20-Y123 AromaticContact CE1-CD2 3.99Å; H20-Y123 AromaticContact CG-CD2 3.62Å; H20-Y123 AromaticContact ND1-CD2 3.47Å; H20-Y123 WeakPolarHBondContact ND1-CD2 3.33Å
21G87.3Confident88.4Confident22 Ų2241 Ų4123%0.22722%0.222CC..EExtended strand (participates in β ladder)trans70.8-148-179.300000113F41 L42G21-F41 CarbonylContact O-C 3.56Å; G21-F41 WeakPolarHBondContact O-CA 3.36Å; G21-F41 WeakPolarHBondContact O-CB 3.29Å; G21-L42 PolarHBondContact O-N 3.49Å
22V88.9Confident88.2Confident61 Ų6140.9 Ų40.937%0.3722%0.22SC..EExtended strand (participates in β ladder)trans-85.1121.4175.8-178.60000109L42 A44 K48V22-L42 WeakPolarHBondContact CA-O 3.43Å; V22-L42 HydrophobicContact CB-CB 4.48Å; V22-L42 HydrophobicContact CG2-CB 3.98Å; V22-L42 HydrophobicContact CG2-CD1 3.92Å; V22-A44 HydrophobicContact CG1-CB 3.95Å; V22-K48 HydrophobicContact CG1-CG 4.46Å
23Q86.8Confident87.9Confident52 Ų5246 Ų4624%0.24326%0.256CS..EExtended strand (participates in β ladder)trans-139.3151.9-177.8-62.4-65.1-22.600111H20 A28 F41 L42 A44H20-Q23 HydrophobicContact CB-CG 4.2Å; H20-Q23 WeakPolarHBondContact O-CG 3.34Å; H20-Q23 PolarHBondContact O-NE2 3.02Å; Q23-A28 HydrophobicContact CB-CB 4.49Å; Q23-F41 HydrophobicContact CB-CB 4.2Å; Q23-F41 HydrophobicContact CB-CD2 3.82Å; Q23-F41 HydrophobicContact CB-CG 4.33Å; Q23-F41 HydrophobicContact CG-CB 4.32Å; Q23-F41 WeakPolarHBondContact O-CD2 3.08Å; Q23-L42 PolarHBondContact N-O 3.33Å; Q23-A44 WeakPolarHBondContact O-CB 3.1Å; Q23-A44 PolarHBondContact O-N 3.26Å
24H89.7Confident87.6Confident99 Ų9946.8 Ų46.846%0.45826%0.263SS..  trans-72.2143.3162.7-68.8-78.6000109.6I26 V27 A28 D45H24-I26 HydrophobicContact CB-CG2 4.29Å; H24-I26 PolarHBondContact O-N 3.49Å; H24-I26 VanDerWaalsContact O-N 3.16Å; H24-V27 HydrophobicContact CB-CG2 4.22Å; H24-V27 WeakPolarHBondContact O-CB 3.25Å; H24-V27 PolarHBondContact O-N 3.08Å; H24-A28 PolarHBondContact O-N 3.26Å; H24-D45 WeakPolarHBondContact CA-OD2 3.22Å; H24-D45 WeakPolarHBondContact CB-OD2 3.46Å; H24-D45 IonicContact CE1-OD1 3.48Å; H24-D45 PolarHBondContact CE1-OD1 3.48Å; H24-D45 IonicContact CG-OD1 3.38Å; H24-D45 IonicContact CG-OD2 3.83Å; H24-D45 IonicContact ND1-OD1 2.79Å; H24-D45 PolarHBondContact ND1-OD1 3.24Å; H24-D45 IonicContact ND1-OD2 2.71Å; H24-D45 PolarHBondContact ND1-OD2 2.82Å
25G88Confident87.7Confident8 Ų847.6 Ų47.68%0.08227%0.268CS..Hα-helixtrans-54.7-40.8-17500000113V27 A28 Q29 D45G25-V27 VanDerWaalsContact C-N 3.29Å; G25-V27 PolarHBondContact O-N 3.34Å; G25-A28 PolarHBondContact O-N 3.36Å; G25-Q29 VanDerWaalsContact O-CG 3.22Å; G25-Q29 WeakPolarHBondContact O-CG 3.24Å; G25-Q29 PolarHBondContact O-N 3.13Å; G25-D45 PolarHBondContact N-OD2 2.71Å
26I89.5Confident87.8Confident93 Ų9348.6 Ų48.648%0.47727%0.269SS..Hα-helixtrans-61.5-33.3178.1-165.574.4000113.3H24 R30H24-I26 HydrophobicContact CB-CG2 4.29Å; H24-I26 PolarHBondContact O-N 3.49Å; H24-I26 VanDerWaalsContact O-N 3.16Å; I26-R30 WeakPolarHBondContact O-CG 3.39Å; I26-R30 PolarHBondContact O-N 2.72Å
27V88.2Confident88Confident66 Ų6648.8 Ų48.840%0.427%0.271SS..Hα-helixtrans-74.2-44.8179.8179.20000109.5H24 G25 Q29 R30H24-V27 HydrophobicContact CB-CG2 4.22Å; H24-V27 WeakPolarHBondContact O-CB 3.25Å; H24-V27 PolarHBondContact O-N 3.08Å; G25-V27 VanDerWaalsContact C-N 3.29Å; G25-V27 PolarHBondContact O-N 3.34Å; V27-Q29 VanDerWaalsContact C-N 3.33Å; V27-Q29 PolarHBondContact O-N 3.07Å; V27-R30 PolarHBondContact O-N 2.95Å
28A86.8Confident88.5Confident2 Ų247.7 Ų47.72%0.01726%0.264CS..Hα-helixtrans-58.4-43.617600000111.9Q23 H24 G25 R30 A31 L39 F41 V53Q23-A28 HydrophobicContact CB-CB 4.49Å; H24-A28 PolarHBondContact O-N 3.26Å; G25-A28 PolarHBondContact O-N 3.36Å; A28-R30 VanDerWaalsContact C-N 3.34Å; A28-R30 PolarHBondContact O-N 2.71Å; A28-A31 PolarHBondContact O-N 2.98Å; A28-L39 HydrophobicContact CB-CD1 4.07Å; A28-F41 HydrophobicContact CB-CD1 3.85Å; A28-F41 HydrophobicContact CB-CD2 4.14Å; A28-F41 HydrophobicContact CB-CE1 3.86Å; A28-F41 HydrophobicContact CB-CE2 4.11Å; A28-F41 HydrophobicContact CB-CG 4Å; A28-F41 HydrophobicContact CB-CZ 3.99Å; A28-V53 HydrophobicContact CB-CG1 4Å
29Q91.1Very high88.7Confident71 Ų7147.4 Ų47.433%0.33226%0.262SS..Hα-helixtrans-61.1-39178.7-68.2173.51100113G25 V27 A31 L32 V53 V61G25-Q29 VanDerWaalsContact O-CG 3.22Å; G25-Q29 WeakPolarHBondContact O-CG 3.24Å; G25-Q29 PolarHBondContact O-N 3.13Å; V27-Q29 VanDerWaalsContact C-N 3.33Å; V27-Q29 PolarHBondContact O-N 3.07Å; Q29-A31 PolarHBondContact O-N 3.42Å; Q29-L32 PolarHBondContact O-N 2.67Å; Q29-V53 HydrophobicContact CG-CG2 3.72Å; Q29-V61 HydrophobicContact CB-CG1 4.13Å; Q29-V61 HydrophobicContact CG-CG1 3.66Å
30R87.9Confident88.9Confident200 Ų20047 Ų4776%0.75526%0.26SS*.Hα-helixtrans-68.5-18.5-179.1-72.8174.1-177.9-177.81.4113.9I26 V27 A28 L32I26-R30 WeakPolarHBondContact O-CG 3.39Å; I26-R30 PolarHBondContact O-N 2.72Å; V27-R30 PolarHBondContact O-N 2.95Å; A28-R30 VanDerWaalsContact C-N 3.34Å; A28-R30 PolarHBondContact O-N 2.71Å; R30-L32 VanDerWaalsContact C-N 3.3Å
31A85.7Confident89.2Confident39 Ų3946.5 Ų46.532%0.32226%0.258SS..THydrogen-bonded Turntrans-79.6-12.2178.700000113.2A28 Q29 L39 V121A28-A31 PolarHBondContact O-N 2.98Å; Q29-A31 PolarHBondContact O-N 3.42Å; A31-L39 HydrophobicContact CB-CD2 3.7Å; A31-V121 HydrophobicContact CB-CG1 4.49Å
32L87.8Confident89.5Confident14 Ų1445.5 Ų45.57%0.07325%0.248CC..  trans-77.2127.6177.9-59-174.2000110.8Q29 R30 L39 V53 M55 V61 V121Q29-L32 PolarHBondContact O-N 2.67Å; R30-L32 VanDerWaalsContact C-N 3.3Å; L32-L39 HydrophobicContact CD2-CD2 4.12Å; L32-L39 HydrophobicContact CD2-CG 4.32Å; L32-V53 HydrophobicContact CD1-CG1 4.22Å; L32-V53 HydrophobicContact CD1-CG2 4Å; L32-V53 HydrophobicContact CD2-CG1 4.29Å; L32-V53 HydrophobicContact CG-CG1 4.37Å; L32-M55 HydrophobicContact CB-CB 4.4Å; L32-M55 HydrophobicContact CB-CE 3.86Å; L32-M55 HydrophobicContact CD1-CB 3.89Å; L32-V61 HydrophobicContact CD1-CG1 3.78Å; L32-V61 HydrophobicContact CD1-CG2 4.33Å; L32-V121 HydrophobicContact CD2-CG2 3.8Å
33S83.7Confident89.8Confident111 Ų11143 Ų4378%0.77623%0.232SC*.  trans-109.91.8-171.565.70000114.8
34G86.3Confident90.1Very high15 Ų1542.2 Ų42.216%0.15524%0.235CC..SBendtrans172.3176.2-178.800000114.1T37 M55G34-T37 VanDerWaalsContact O-CB 3.3Å; G34-T37 WeakPolarHBondContact O-CB 3.43Å; G34-T37 VanDerWaalsContact O-CG2 3.24Å; G34-T37 WeakPolarHBondContact O-CG2 3.26Å; G34-T37 PolarHBondContact O-N 2.93Å; G34-T37 PolarHBondContact O-OG1 3.47Å; G34-M55 WeakPolarHBondContact O-CB 3.48Å
35P87.9Confident90.2Very high62 Ų6242.3 Ų42.340%0.40324%0.239SC..THydrogen-bonded Turntrans-62.6146.1-176.426.3-34.9000112.4T37 D56P35-T37 PolarHBondContact O-N 2.88Å; P35-T37 VanDerWaalsContact O-N 3.13Å; P35-D56 WeakPolarHBondContact CA-O 3.46Å; P35-D56 WeakPolarHBondContact CB-O 3.37Å
36N86.3Confident90.4Very high48 Ų4844.6 Ų44.626%0.25725%0.249SC..THydrogen-bonded Turntrans56.116.7-173.3-54.7-38.6000114.3M55 G118 H119N36-M55 WeakPolarHBondContact CA-O 3.37Å; N36-M55 PolarHBondContact N-O 3.5Å; N36-G118 CarbonylContact O-C 3.57Å; N36-G118 WeakPolarHBondContact O-CA 3.22Å; N36-G118 PolarHBondContact O-N 2.94Å; N36-H119 PolarHBondContact O-N 2.83Å
37T92Very high90.5Very high11 Ų1143.6 Ų43.67%0.06726%0.262CS..EExtended strand (participates in β ladder)trans-78141.6169.760.90000110.1G34 P35 I54 M55 H119G34-T37 VanDerWaalsContact O-CB 3.3Å; G34-T37 WeakPolarHBondContact O-CB 3.43Å; G34-T37 VanDerWaalsContact O-CG2 3.24Å; G34-T37 WeakPolarHBondContact O-CG2 3.26Å; G34-T37 PolarHBondContact O-N 2.93Å; G34-T37 PolarHBondContact O-OG1 3.47Å; P35-T37 PolarHBondContact O-N 2.88Å; P35-T37 VanDerWaalsContact O-N 3.13Å; T37-I54 WeakPolarHBondContact O-CA 3.22Å; T37-M55 PolarHBondContact O-N 2.96Å; T37-H119 CarbonylContact C-O 3.55Å; T37-H119 WeakPolarHBondContact CA-O 3.38Å; T37-H119 HydrophobicContact CG2-CB 4.09Å
38F94.6Very high90.7Very high2 Ų243.7 Ų43.71%0.00926%0.257CS..EExtended strand (participates in β ladder)trans-144.2158.2179.877.4-86.8000113.2Y18 V52 V53 I54 I91 V95 L117 H119 Q120 V121Y18-F38 AromaticContact CD2-CE2 3.95Å; Y18-F38 HydrophobicContact CD2-CE2 3.95Å; Y18-F38 HydrophobicContact CE2-CE2 4.31Å; Y18-F38 HydrophobicContact CG-CE2 4.09Å; F38-V52 HydrophobicContact CB-CG1 4.11Å; F38-V52 HydrophobicContact CD2-CG1 3.92Å; F38-V52 HydrophobicContact CG-CG1 4.43Å; F38-V53 WeakPolarHBondContact CA-O 3.37Å; F38-I54 HydrophobicContact CB-CB 4.34Å; F38-I54 HydrophobicContact CB-CG1 3.69Å; F38-I54 HydrophobicContact CB-CG2 4.46Å; F38-I91 HydrophobicContact CE2-CG2 3.92Å; F38-I91 HydrophobicContact CZ-CG2 3.95Å; F38-V95 HydrophobicContact CE1-CG2 4.38Å; F38-V95 HydrophobicContact CZ-CG2 4.32Å; F38-L117 HydrophobicContact CB-CD2 3.99Å; F38-L117 HydrophobicContact CD1-CB 4.01Å; F38-L117 HydrophobicContact CD1-CD2 4.14Å; F38-L117 HydrophobicContact CD2-CD2 4.05Å; F38-L117 HydrophobicContact CE1-CB 3.96Å; F38-L117 HydrophobicContact CG-CD2 3.8Å; F38-L117 HydrophobicContact CZ-CB 4.42Å; F38-H119 PolarHBondContact N-O 3.08Å; F38-Q120 HydrophobicContact CE1-CB 3.9Å; F38-Q120 HydrophobicContact CE2-CB 4.4Å; F38-Q120 HydrophobicContact CZ-CB 3.76Å; F38-V121 PolarHBondContact O-N 3.13Å
39L94.6Very high91.1Very high0 Ų049.3 Ų49.30%028%0.281CS..EExtended strand (participates in β ladder)trans-148.2161.6166.362.687.2000111.4H20 A28 A31 L32 F41 V52 V53 V121H20-L39 HydrophobicContact CB-CD1 4.27Å; A28-L39 HydrophobicContact CB-CD1 4.07Å; A31-L39 HydrophobicContact CB-CD2 3.7Å; L32-L39 HydrophobicContact CD2-CD2 4.12Å; L32-L39 HydrophobicContact CD2-CG 4.32Å; L39-F41 HydrophobicContact CD1-CB 4.27Å; L39-F41 HydrophobicContact CD1-CD1 3.94Å; L39-F41 HydrophobicContact CD1-CG 4.45Å; L39-V52 WeakPolarHBondContact O-CA 3.43Å; L39-V52 WeakPolarHBondContact O-CG1 3.47Å; L39-V53 HydrophobicContact CD1-CG1 3.52Å; L39-V53 HydrophobicContact CD2-CG1 4.14Å; L39-V53 HydrophobicContact CG-CG1 3.47Å; L39-V53 VanDerWaalsContact CG-CG1 3.47Å; L39-V53 PolarHBondContact N-O 3.35Å; L39-V53 PolarHBondContact O-N 2.95Å; L39-V121 HydrophobicContact CB-CB 4.22Å; L39-V121 HydrophobicContact CD2-CB 4.25Å; L39-V121 HydrophobicContact CD2-CG1 4.33Å
40L95.3Very high91.3Very high0 Ų046.6 Ų46.60%027%0.269CS..EExtended strand (participates in β ladder)trans-101.1144.8172.4-62.9179.9000110.8L13 L16 Y18 F19 H20 L50 A51 V52 I66 V87 I91L13-L40 HydrophobicContact CD1-CD1 3.83Å; L16-L40 HydrophobicContact CD1-CD1 4.23Å; Y18-L40 HydrophobicContact CD2-CD1 3.74Å; Y18-L40 HydrophobicContact CD2-CG 3.83Å; Y18-L40 HydrophobicContact CE2-CD1 3.56Å; Y18-L40 HydrophobicContact CE2-CG 4.1Å; Y18-L40 PolarHBondContact O-N 3.12Å; F19-L40 CarbonylContact C-O 3.56Å; F19-L40 WeakPolarHBondContact CA-O 3.5Å; F19-L40 HydrophobicContact CB-CB 4.35Å; F19-L40 HydrophobicContact CD2-CB 3.85Å; H20-L40 PolarHBondContact N-O 3.19Å; L40-L50 HydrophobicContact CB-CD1 4.47Å; L40-A51 WeakPolarHBondContact CA-O 3.37Å; L40-V52 HydrophobicContact CD2-CB 3.97Å; L40-V52 HydrophobicContact CD2-CG1 4Å; L40-V52 HydrophobicContact CD2-CG2 3.3Å; L40-I66 HydrophobicContact CD2-CD1 4Å; L40-V87 HydrophobicContact CD1-CG1 3.75Å; L40-I91 HydrophobicContact CD1-CG1 4.26Å; L40-I91 HydrophobicContact CD2-CD1 4.16Å
41F94.1Very high91.7Very high0 Ų037.1 Ų37.10%023%0.233CC..EExtended strand (participates in β ladder)trans-155.2160.9171.270.4-69.6000110.6G21 Q23 A28 L39 D43 A51 V53 T63G21-F41 CarbonylContact O-C 3.56Å; G21-F41 WeakPolarHBondContact O-CA 3.36Å; G21-F41 WeakPolarHBondContact O-CB 3.29Å; Q23-F41 HydrophobicContact CB-CB 4.2Å; Q23-F41 HydrophobicContact CB-CD2 3.82Å; Q23-F41 HydrophobicContact CB-CG 4.33Å; Q23-F41 HydrophobicContact CG-CB 4.32Å; Q23-F41 WeakPolarHBondContact O-CD2 3.08Å; A28-F41 HydrophobicContact CB-CD1 3.85Å; A28-F41 HydrophobicContact CB-CD2 4.14Å; A28-F41 HydrophobicContact CB-CE1 3.86Å; A28-F41 HydrophobicContact CB-CE2 4.11Å; A28-F41 HydrophobicContact CB-CG 4Å; A28-F41 HydrophobicContact CB-CZ 3.99Å; L39-F41 HydrophobicContact CD1-CB 4.27Å; L39-F41 HydrophobicContact CD1-CD1 3.94Å; L39-F41 HydrophobicContact CD1-CG 4.45Å; F41-D43 HydrophobicContact CD2-CB 4.25Å; F41-D43 HydrophobicContact CE2-CB 3.61Å; F41-D43 HydrophobicContact CZ-CB 4.15Å; F41-A51 HydrophobicContact CD1-CB 4.3Å; F41-A51 HydrophobicContact CE1-CB 3.74Å; F41-A51 HydrophobicContact CZ-CB 4.01Å; F41-A51 PolarHBondContact N-O 3.25Å; F41-A51 PolarHBondContact O-N 3.11Å; F41-V53 HydrophobicContact CD1-CG1 4.47Å; F41-V53 HydrophobicContact CE1-CB 4Å; F41-V53 HydrophobicContact CE1-CG1 4.28Å; F41-T63 HydrophobicContact CZ-CG2 4.34Å
42L94.6Very high92.2Very high1 Ų135.2 Ų35.21%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-89.9115.9165.9-61.5174000107.7F19 G21 V22 Q23 A44 K48 L50 F487 E488F19-L42 HydrophobicContact CE2-CG 4Å; F19-L42 HydrophobicContact CZ-CD1 4.09Å; F19-L42 HydrophobicContact CZ-CG 3.87Å; G21-L42 PolarHBondContact O-N 3.49Å; V22-L42 WeakPolarHBondContact CA-O 3.43Å; V22-L42 HydrophobicContact CB-CB 4.48Å; V22-L42 HydrophobicContact CG2-CB 3.98Å; V22-L42 HydrophobicContact CG2-CD1 3.92Å; Q23-L42 PolarHBondContact N-O 3.33Å; L42-A44 PolarHBondContact O-N 2.91Å; L42-A44 VanDerWaalsContact O-N 3.11Å; L42-K48 HydrophobicContact CB-CB 4.32Å; L42-K48 WeakPolarHBondContact CD2-O 3.21Å; L42-L50 HydrophobicContact CD2-CB 4.07Å; L42-L50 HydrophobicContact CD2-CD1 4.13Å; L42-F487 HydrophobicContact CD1-CB 4.18Å; L42-E488 HydrophobicContact CD1-CG 4.02Å
43D95.2Very high92.5Very high8 Ų834.6 Ų34.64%0.04321%0.214CC..EExtended strand (participates in β ladder)trans-73.6104.5-172.9-170.6-14.1000111.6F41 D45 N46 K48 K49 Y65F41-D43 HydrophobicContact CD2-CB 4.25Å; F41-D43 HydrophobicContact CE2-CB 3.61Å; F41-D43 HydrophobicContact CZ-CB 4.15Å; D43-D45 PolarHBondContact O-N 2.76Å; D43-D45 WeakPolarHBondContact OD1-CB 3.48Å; D43-D45 PolarHBondContact OD1-N 3.28Å; D43-N46 HydrophobicContact CB-CB 4.2Å; D43-N46 CarbonylContact O-C 3.55Å; D43-N46 PolarHBondContact O-N 3.17Å; D43-N46 VanDerWaalsContact O-N 3.13Å; D43-N46 PolarHBondContact OD1-N 3.27Å; D43-K48 WeakPolarHBondContact O-CA 3.47Å; D43-K48 PolarHBondContact O-N 2.78Å; D43-K49 PolarHBondContact N-O 2.89Å; D43-Y65 HydrophobicContact CB-CE1 4.18Å; D43-Y65 PolarHBondContact OD2-OH 3.25Å
44A93.1Very high93Very high37 Ų3729.3 Ų29.331%0.30618%0.177SC..G310 helixtrans-57.6-29.8178.800000112.4V22 Q23 L42V22-A44 HydrophobicContact CG1-CB 3.95Å; Q23-A44 WeakPolarHBondContact O-CB 3.1Å; Q23-A44 PolarHBondContact O-N 3.26Å; L42-A44 PolarHBondContact O-N 2.91Å; L42-A44 VanDerWaalsContact O-N 3.11Å
45D92Very high93.3Very high101 Ų10129.6 Ų29.654%0.5418%0.175SC..G310 helixtrans-82.9-19.6-177.2-57.2-50.5000112.4H24 G25 D43H24-D45 WeakPolarHBondContact CA-OD2 3.22Å; H24-D45 WeakPolarHBondContact CB-OD2 3.46Å; H24-D45 IonicContact CE1-OD1 3.48Å; H24-D45 PolarHBondContact CE1-OD1 3.48Å; H24-D45 IonicContact CG-OD1 3.38Å; H24-D45 IonicContact CG-OD2 3.83Å; H24-D45 IonicContact ND1-OD1 2.79Å; H24-D45 PolarHBondContact ND1-OD1 3.24Å; H24-D45 IonicContact ND1-OD2 2.71Å; H24-D45 PolarHBondContact ND1-OD2 2.82Å; G25-D45 PolarHBondContact N-OD2 2.71Å; D43-D45 PolarHBondContact O-N 2.76Å; D43-D45 WeakPolarHBondContact OD1-CB 3.48Å; D43-D45 PolarHBondContact OD1-N 3.28Å
46N92.1Very high93.4Very high55 Ų5527.1 Ų27.129%0.29416%0.158SC..G310 helixtrans-12349.7-177-166.113000113D43 K48 K49 Y65D43-N46 HydrophobicContact CB-CB 4.2Å; D43-N46 CarbonylContact O-C 3.55Å; D43-N46 PolarHBondContact O-N 3.17Å; D43-N46 VanDerWaalsContact O-N 3.13Å; D43-N46 PolarHBondContact OD1-N 3.27Å; N46-K48 VanDerWaalsContact C-N 3.25Å; N46-K48 PolarHBondContact O-N 3.11Å; N46-K49 WeakPolarHBondContact O-CG 3.4Å; N46-K49 PolarHBondContact O-N 3.46Å; N46-Y65 HydrophobicContact CB-CE1 4.14Å; N46-Y65 WeakPolarHBondContact ND2-CE1 3.24Å; N46-Y65 PolarHBondContact ND2-OH 2.95Å
47G91.6Very high93.4Very high72 Ų7228.6 Ų28.674%0.74218%0.177SC*.THydrogen-bonded Turntrans63.829.1174.100000113.9K49G47-K49 PolarHBondContact O-N 3.03Å
48K92.3Very high93.1Very high69 Ų6935.9 Ų35.930%0.321%0.21SC..THydrogen-bonded Turntrans59.928.8-179.6-56.6174.7-176.3177.70113.3V22 L42 D43 N46 F487V22-K48 HydrophobicContact CG1-CG 4.46Å; L42-K48 HydrophobicContact CB-CB 4.32Å; L42-K48 WeakPolarHBondContact CD2-O 3.21Å; D43-K48 WeakPolarHBondContact O-CA 3.47Å; D43-K48 PolarHBondContact O-N 2.78Å; N46-K48 VanDerWaalsContact C-N 3.25Å; N46-K48 PolarHBondContact O-N 3.11Å; K48-F487 HydrophobicContact CB-CB 4.27Å; K48-F487 HydrophobicContact CD-CB 3.87Å; K48-F487 HydrophobicContact CD-CD1 3.41Å; K48-F487 VanDerWaalsContact CD-CD1 3.41Å; K48-F487 HydrophobicContact CD-CD2 3.8Å; K48-F487 HydrophobicContact CD-CE1 3.88Å; K48-F487 HydrophobicContact CD-CE2 4.24Å; K48-F487 HydrophobicContact CD-CG 3.38Å; K48-F487 HydrophobicContact CD-CZ 4.29Å; K48-F487 VanDerWaalsContact NZ-CE1 3.32Å
49K94.2Very high92.7Very high119 Ų11942.3 Ų42.352%0.51724%0.241SC..EExtended strand (participates in β ladder)trans-63.5139.9171.9-74.3177.2-179171.90110D43 N46 G47 A51 Y65D43-K49 PolarHBondContact N-O 2.89Å; N46-K49 WeakPolarHBondContact O-CG 3.4Å; N46-K49 PolarHBondContact O-N 3.46Å; G47-K49 PolarHBondContact O-N 3.03Å; K49-A51 PolarHBondContact O-N 3.29Å; K49-Y65 HydrophobicContact CB-CD1 3.85Å; K49-Y65 HydrophobicContact CB-CE1 4.14Å
50L96.1Very high92.5Very high15 Ų1545.7 Ų45.78%0.07926%0.261CS..EExtended strand (participates in β ladder)trans-69.1123.6176-179.861.4000110.1L13 F19 L40 L42 I66 V87 P489L13-L50 HydrophobicContact CD1-CD1 4.17Å; L13-L50 HydrophobicContact CD2-CD1 3.94Å; L13-L50 HydrophobicContact CD2-CD2 4.23Å; F19-L50 HydrophobicContact CE2-CD1 4.22Å; L40-L50 HydrophobicContact CB-CD1 4.47Å; L42-L50 HydrophobicContact CD2-CB 4.07Å; L42-L50 HydrophobicContact CD2-CD1 4.13Å; L50-I66 HydrophobicContact CD2-CB 4.19Å; L50-I66 HydrophobicContact CD2-CD1 3.82Å; L50-I66 HydrophobicContact CD2-CG1 4.48Å; L50-I66 HydrophobicContact CD2-CG2 4.41Å; L50-I66 HydrophobicContact CG-CB 4.23Å; L50-I66 HydrophobicContact CG-CD1 3.98Å; L50-I66 HydrophobicContact CG-CG1 4.39Å; L50-I66 PolarHBondContact O-N 3.35Å; L50-V87 HydrophobicContact CD2-CG1 4.06Å; L50-V87 HydrophobicContact CD2-CG2 3.62Å; L50-P489 HydrophobicContact CD2-CG 4.16Å
51A96Very high92.3Very high0 Ų047.8 Ų47.80%027%0.274CS..EExtended strand (participates in β ladder)trans-130.2152.4-178.900000111.4L40 F41 K49 T63 V64 Y65L40-A51 WeakPolarHBondContact CA-O 3.37Å; F41-A51 HydrophobicContact CD1-CB 4.3Å; F41-A51 HydrophobicContact CE1-CB 3.74Å; F41-A51 HydrophobicContact CZ-CB 4.01Å; F41-A51 PolarHBondContact N-O 3.25Å; F41-A51 PolarHBondContact O-N 3.11Å; K49-A51 PolarHBondContact O-N 3.29Å; A51-T63 HydrophobicContact CB-CG2 3.86Å; A51-V64 CarbonylContact C-O 3.58Å; A51-V64 WeakPolarHBondContact CA-O 3.44Å; A51-Y65 HydrophobicContact CB-CD1 3.77Å; A51-Y65 HydrophobicContact CB-CE1 3.87Å
52V95.9Very high92.2Very high0 Ų049.2 Ų49.20%028%0.28CS..EExtended strand (participates in β ladder)trans-106.5126.5164.6-160.30000107.2F38 L39 L40 I54 T63 V64 I66 F75 I91 L117F38-V52 HydrophobicContact CB-CG1 4.11Å; F38-V52 HydrophobicContact CD2-CG1 3.92Å; F38-V52 HydrophobicContact CG-CG1 4.43Å; L39-V52 WeakPolarHBondContact O-CA 3.43Å; L39-V52 WeakPolarHBondContact O-CG1 3.47Å; L40-V52 HydrophobicContact CD2-CB 3.97Å; L40-V52 HydrophobicContact CD2-CG1 4Å; L40-V52 HydrophobicContact CD2-CG2 3.3Å; V52-I54 HydrophobicContact CB-CD1 4.19Å; V52-I54 HydrophobicContact CB-CG1 4.27Å; V52-I54 HydrophobicContact CG1-CD1 3.86Å; V52-I54 HydrophobicContact CG1-CG1 3.59Å; V52-T63 WeakPolarHBondContact O-CA 3.31Å; V52-V64 PolarHBondContact N-O 3.31Å; V52-V64 PolarHBondContact O-N 3.43Å; V52-I66 HydrophobicContact CG2-CD1 3.89Å; V52-I66 HydrophobicContact CG2-CG1 4.03Å; V52-F75 HydrophobicContact CG2-CE1 3.74Å; V52-F75 HydrophobicContact CG2-CZ 3.53Å; V52-I91 HydrophobicContact CG2-CD1 4.33Å; V52-L117 HydrophobicContact CG1-CD2 3.99Å
53V94.5Very high92.1Very high0 Ų051.4 Ų51.40%029%0.294CS..EExtended strand (participates in β ladder)trans-100.1129.916670.20000108.1A28 Q29 L32 F38 L39 F41 V61 H62A28-V53 HydrophobicContact CB-CG1 4Å; Q29-V53 HydrophobicContact CG-CG2 3.72Å; L32-V53 HydrophobicContact CD1-CG1 4.22Å; L32-V53 HydrophobicContact CD1-CG2 4Å; L32-V53 HydrophobicContact CD2-CG1 4.29Å; L32-V53 HydrophobicContact CG-CG1 4.37Å; F38-V53 WeakPolarHBondContact CA-O 3.37Å; L39-V53 HydrophobicContact CD1-CG1 3.52Å; L39-V53 HydrophobicContact CD2-CG1 4.14Å; L39-V53 HydrophobicContact CG-CG1 3.47Å; L39-V53 VanDerWaalsContact CG-CG1 3.47Å; L39-V53 PolarHBondContact N-O 3.35Å; L39-V53 PolarHBondContact O-N 2.95Å; F41-V53 HydrophobicContact CD1-CG1 4.47Å; F41-V53 HydrophobicContact CE1-CB 4Å; F41-V53 HydrophobicContact CE1-CG1 4.28Å; V53-V61 HydrophobicContact CG2-CG1 3.32Å; V53-H62 WeakPolarHBondContact CA-O 3.49Å
54I94.6Very high92.1Very high0 Ų052 Ų520%030%0.298CS..EExtended strand (participates in β ladder)trans-135.9135.6-171.8-56.8157.3000108.2T37 F38 V52 V61 H62 I101 V115 L117T37-I54 WeakPolarHBondContact O-CA 3.22Å; F38-I54 HydrophobicContact CB-CB 4.34Å; F38-I54 HydrophobicContact CB-CG1 3.69Å; F38-I54 HydrophobicContact CB-CG2 4.46Å; V52-I54 HydrophobicContact CB-CD1 4.19Å; V52-I54 HydrophobicContact CB-CG1 4.27Å; V52-I54 HydrophobicContact CG1-CD1 3.86Å; V52-I54 HydrophobicContact CG1-CG1 3.59Å; I54-V61 WeakPolarHBondContact O-CA 3.42Å; I54-H62 PolarHBondContact N-O 3.3Å; I54-H62 PolarHBondContact O-N 3.11Å; I54-I101 HydrophobicContact CD1-CD1 3.98Å; I54-V115 HydrophobicContact CD1-CG2 3.8Å; I54-V115 HydrophobicContact CG2-CB 4.11Å; I54-V115 HydrophobicContact CG2-CG2 4.44Å; I54-L117 HydrophobicContact CD1-CD2 3.31Å; I54-L117 HydrophobicContact CG1-CD2 3.65Å
55M92.1Very high92.2Very high21 Ų2154 Ų5410%0.10330%0.298CS..EExtended strand (participates in β ladder)trans-94.3123.6169.6-176.3176.4-69.300108.4L32 G34 N36 T37 Q59 V61L32-M55 HydrophobicContact CB-CB 4.4Å; L32-M55 HydrophobicContact CB-CE 3.86Å; L32-M55 HydrophobicContact CD1-CB 3.89Å; G34-M55 WeakPolarHBondContact O-CB 3.48Å; N36-M55 WeakPolarHBondContact CA-O 3.37Å; N36-M55 PolarHBondContact N-O 3.5Å; T37-M55 PolarHBondContact O-N 2.96Å; M55-Q59 HydrophobicContact CG-CB 4.28Å; M55-Q59 HydrophobicContact SD-CB 4.01Å; M55-Q59 HydrophobicContact SD-CG 4.18Å; M55-V61 HydrophobicContact CB-CG2 4.5Å; M55-V61 HydrophobicContact CE-CG2 3.93Å; M55-V61 HydrophobicContact CG-CG2 4.49Å
56D89.4Confident92.3Very high10 Ų1049.7 Ų49.75%0.05328%0.275CS..  trans-76.5-175.9177.872.115000112.4P35 E58 Q59 V60 H62 V115P35-D56 WeakPolarHBondContact CA-O 3.46Å; P35-D56 WeakPolarHBondContact CB-O 3.37Å; D56-E58 PolarHBondContact O-N 2.92Å; D56-E58 VanDerWaalsContact OD1-C 3.28Å; D56-E58 VanDerWaalsContact OD1-CA 3.29Å; D56-E58 WeakPolarHBondContact OD1-CA 3.48Å; D56-E58 WeakPolarHBondContact OD1-CB 3.35Å; D56-E58 PolarHBondContact OD1-N 2.98Å; D56-Q59 PolarHBondContact O-N 3.04Å; D56-Q59 PolarHBondContact OD1-N 3.27Å; D56-V60 PolarHBondContact N-O 3.34Å; D56-V60 PolarHBondContact OD1-N 3.29Å; D56-V60 WeakPolarHBondContact OD2-CB 3.35Å; D56-H62 IonicContact OD2-CD2 2.99Å; D56-H62 IonicContact OD2-CE1 3.7Å; D56-H62 IonicContact OD2-NE2 2.72Å; D56-H62 PolarHBondContact OD2-NE2 3.27Å; D56-V115 HydrophobicContact CB-CG1 3.96Å
57A86.3Confident92.5Very high80 Ų8050.7 Ų50.766%0.66128%0.28SS*.THydrogen-bonded Turntrans-66.9-23.8178.700000113.5Q59A57-Q59 VanDerWaalsContact C-N 3.28Å
58E86.7Confident92.6Very high164 Ų16450.4 Ų50.477%0.76626%0.264SS*.THydrogen-bonded Turntrans-89.55.6177.1-60.7-174177.700112.2D56 V60D56-E58 PolarHBondContact O-N 2.92Å; D56-E58 VanDerWaalsContact OD1-C 3.28Å; D56-E58 VanDerWaalsContact OD1-CA 3.29Å; D56-E58 WeakPolarHBondContact OD1-CA 3.48Å; D56-E58 WeakPolarHBondContact OD1-CB 3.35Å; D56-E58 PolarHBondContact OD1-N 2.98Å; E58-V60 HydrophobicContact CB-CG2 4.29Å; E58-V60 PolarHBondContact O-N 3.46Å
59Q87Confident92.5Very high137 Ų13751.9 Ų51.964%0.6428%0.275SS*.SBendtrans6419.9-175.2-52.4-175.318.700114.3M55 D56 A57M55-Q59 HydrophobicContact CG-CB 4.28Å; M55-Q59 HydrophobicContact SD-CB 4.01Å; M55-Q59 HydrophobicContact SD-CG 4.18Å; D56-Q59 PolarHBondContact O-N 3.04Å; D56-Q59 PolarHBondContact OD1-N 3.27Å; A57-Q59 VanDerWaalsContact C-N 3.28Å
60V89.5Confident92.2Very high70 Ų7048.2 Ų48.242%0.42427%0.271SS..  trans-81.7132169.8-176.60000108.1D56 E58 H62D56-V60 PolarHBondContact N-O 3.34Å; D56-V60 PolarHBondContact OD1-N 3.29Å; D56-V60 WeakPolarHBondContact OD2-CB 3.35Å; E58-V60 HydrophobicContact CB-CG2 4.29Å; E58-V60 PolarHBondContact O-N 3.46Å; V60-H62 PolarHBondContact O-CD2 2.81Å; V60-H62 VanDerWaalsContact O-CD2 3.23Å
61V91.2Very high91.7Very high45 Ų4550.1 Ų50.127%0.27328%0.284SS..EExtended strand (participates in β ladder)trans-93.2127.9-178.7-174.60000109.9Q29 L32 V53 I54 M55Q29-V61 HydrophobicContact CB-CG1 4.13Å; Q29-V61 HydrophobicContact CG-CG1 3.66Å; L32-V61 HydrophobicContact CD1-CG1 3.78Å; L32-V61 HydrophobicContact CD1-CG2 4.33Å; V53-V61 HydrophobicContact CG2-CG1 3.32Å; I54-V61 WeakPolarHBondContact O-CA 3.42Å; M55-V61 HydrophobicContact CB-CG2 4.5Å; M55-V61 HydrophobicContact CE-CG2 3.93Å; M55-V61 HydrophobicContact CG-CG2 4.49Å
62H92.1Very high91.6Very high29 Ų2952 Ų5213%0.13429%0.294CS..EExtended strand (participates in β ladder)trans-118.8137-179.4-58.6-88.3000110.4V53 I54 D56 V60 I103V53-H62 WeakPolarHBondContact CA-O 3.49Å; I54-H62 PolarHBondContact N-O 3.3Å; I54-H62 PolarHBondContact O-N 3.11Å; D56-H62 IonicContact OD2-CD2 2.99Å; D56-H62 IonicContact OD2-CE1 3.7Å; D56-H62 IonicContact OD2-NE2 2.72Å; D56-H62 PolarHBondContact OD2-NE2 3.27Å; V60-H62 PolarHBondContact O-CD2 2.81Å; V60-H62 VanDerWaalsContact O-CD2 3.23Å; H62-I103 HydrophobicContact CB-CD1 3.42Å; H62-I103 VanDerWaalsContact CB-CD1 3.42Å
63T93.2Very high91.6Very high47 Ų4752.1 Ų52.129%0.28829%0.294SS..EExtended strand (participates in β ladder)trans-105.2118.5170.9-58.40000109F41 A51 V52 Y65F41-T63 HydrophobicContact CZ-CG2 4.34Å; A51-T63 HydrophobicContact CB-CG2 3.86Å; V52-T63 WeakPolarHBondContact O-CA 3.31Å; T63-Y65 HydrophobicContact CG2-CE2 4.27Å
64V93.9Very high91.7Very high21 Ų2153 Ų5313%0.12730%0.297CS..EExtended strand (participates in β ladder)trans-115.8124.4178.7-174.50000109.6A51 V52 F75 I101 I103A51-V64 CarbonylContact C-O 3.58Å; A51-V64 WeakPolarHBondContact CA-O 3.44Å; V52-V64 PolarHBondContact N-O 3.31Å; V52-V64 PolarHBondContact O-N 3.43Å; V64-F75 HydrophobicContact CB-CE1 4.5Å; V64-F75 HydrophobicContact CG1-CD1 3.68Å; V64-F75 HydrophobicContact CG1-CE1 3.9Å; V64-I101 HydrophobicContact CG1-CG2 3.99Å; V64-I101 HydrophobicContact CG2-CG2 4.29Å; V64-I103 HydrophobicContact CG2-CD1 3.56Å; V64-I103 HydrophobicContact CG2-CG1 3.98Å
65Y94.9Very high91.7Very high78 Ų7853.9 Ų53.931%0.30630%0.301SS..EExtended strand (participates in β ladder)trans-83.8137.6178.4-64.1-81.9000112.1D43 N46 K49 A51 T63D43-Y65 HydrophobicContact CB-CE1 4.18Å; D43-Y65 PolarHBondContact OD2-OH 3.25Å; N46-Y65 HydrophobicContact CB-CE1 4.14Å; N46-Y65 WeakPolarHBondContact ND2-CE1 3.24Å; N46-Y65 PolarHBondContact ND2-OH 2.95Å; K49-Y65 HydrophobicContact CB-CD1 3.85Å; K49-Y65 HydrophobicContact CB-CE1 4.14Å; A51-Y65 HydrophobicContact CB-CD1 3.77Å; A51-Y65 HydrophobicContact CB-CE1 3.87Å; T63-Y65 HydrophobicContact CG2-CE2 4.27Å
66I95.8Very high91.6Very high12 Ų1254.9 Ų54.96%0.06231%0.308CS..PPolyproline II helixtrans-84.5120.1172.3-61.7-179.1000108.1L40 L50 V52 F73 F75 V87 L90 I91L40-I66 HydrophobicContact CD2-CD1 4Å; L50-I66 HydrophobicContact CD2-CB 4.19Å; L50-I66 HydrophobicContact CD2-CD1 3.82Å; L50-I66 HydrophobicContact CD2-CG1 4.48Å; L50-I66 HydrophobicContact CD2-CG2 4.41Å; L50-I66 HydrophobicContact CG-CB 4.23Å; L50-I66 HydrophobicContact CG-CD1 3.98Å; L50-I66 HydrophobicContact CG-CG1 4.39Å; L50-I66 PolarHBondContact O-N 3.35Å; V52-I66 HydrophobicContact CG2-CD1 3.89Å; V52-I66 HydrophobicContact CG2-CG1 4.03Å; I66-F73 HydrophobicContact CG2-CB 4.11Å; I66-F73 HydrophobicContact CG2-CD1 4.08Å; I66-F75 HydrophobicContact CD1-CE1 4.25Å; I66-F75 HydrophobicContact CD1-CZ 4Å; I66-F75 HydrophobicContact CG1-CD1 4.26Å; I66-F75 HydrophobicContact CG1-CE1 3.47Å; I66-F75 VanDerWaalsContact CG1-CE1 3.47Å; I66-F75 HydrophobicContact CG1-CZ 3.72Å; I66-V87 HydrophobicContact CD1-CG1 4.01Å; I66-L90 HydrophobicContact CD1-CD2 4.48Å; I66-L90 HydrophobicContact CG2-CD2 3.9Å; I66-I91 HydrophobicContact CD1-CD1 4.4Å
67N94.9Very high91.6Very high76 Ų7659.9 Ų59.941%0.40634%0.335SS..EExtended strand (participates in β ladder)trans-78.2146.9176-65.6-62.7000110.6F73 W74 F75N67-F73 WeakPolarHBondContact O-CA 3.39Å; N67-W74 HydrophobicContact CB-CD2 3.84Å; N67-W74 HydrophobicContact CB-CG 4.03Å; N67-W74 HydrophobicContact CB-CH2 4.49Å; N67-W74 HydrophobicContact CB-CZ2 3.68Å; N67-W74 WeakPolarHBondContact CB-O 3.34Å; N67-W74 PolarHBondContact N-O 2.81Å; N67-W74 PolarHBondContact O-N 3.38Å; N67-F75 PolarHBondContact ND2-O 2.99Å
68T93.6Very high91.7Very high65 Ų6562.9 Ų62.940%0.39934%0.335SS..EExtended strand (participates in β ladder)trans-146.7149.9175-175.50000112G70 L72T68-G70 PolarHBondContact OG1-N 3.01Å; T68-L72 WeakPolarHBondContact CA-O 3.5Å; T68-L72 WeakPolarHBondContact CB-O 3.28Å; T68-L72 PolarHBondContact OG1-O 3.23Å
69N90.6Very high92Very high101 Ų10155 Ų5554%0.5430%0.299SS..SBendtrans-10714.8168.163.73.1000112T71 L72 W74N69-T71 VanDerWaalsContact C-N 3.35Å; N69-T71 PolarHBondContact OD1-N 3.16Å; N69-L72 PolarHBondContact N-O 3.43Å; N69-L72 PolarHBondContact OD1-N 3.3Å; N69-W74 HydrophobicContact CB-CH2 3.79Å; N69-W74 HydrophobicContact CB-CZ3 4.06Å; N69-W74 VanDerWaalsContact N-CH2 3.29Å; N69-W74 VanDerWaalsContact N-CZ3 3.35Å
70G87.2Confident92.2Very high42 Ų4254.5 Ų54.543%0.43329%0.291SS..SBendtrans86.7-1.8-173.900000114.6T68T68-G70 PolarHBondContact OG1-N 3.01Å
71T87.1Confident92.3Very high55 Ų5554.7 Ų54.734%0.33731%0.307SS..SBendtrans-137-40.6175.7-54.10000112.6N69 T85 L478N69-T71 VanDerWaalsContact C-N 3.35Å; N69-T71 PolarHBondContact OD1-N 3.16Å; T71-T85 WeakPolarHBondContact O-CA 3.49Å; T71-L478 HydrophobicContact CG2-CD1 4.14Å
72L93.6Very high92.3Very high40 Ų4058.6 Ų58.621%0.20932%0.318CS..  trans-106.4153.6180-59-178.2000111.1T68 N69 W74 F84 T85T68-L72 WeakPolarHBondContact CA-O 3.5Å; T68-L72 WeakPolarHBondContact CB-O 3.28Å; T68-L72 PolarHBondContact OG1-O 3.23Å; N69-L72 PolarHBondContact N-O 3.43Å; N69-L72 PolarHBondContact OD1-N 3.3Å; L72-W74 HydrophobicContact CB-CE3 4.04Å; L72-W74 HydrophobicContact CB-CZ3 3.97Å; L72-W74 VanDerWaalsContact O-CZ3 3.31Å; L72-W74 WeakPolarHBondContact O-CZ3 3.45Å; L72-F84 CarbonylContact C-O 3.55Å; L72-F84 VanDerWaalsContact CA-O 3.25Å; L72-F84 WeakPolarHBondContact CA-O 3.5Å; L72-T85 HydrophobicContact CD2-CG2 3.8Å
73F96Very high92.3Very high2 Ų258.1 Ų58.11%0.00932%0.32CS..EExtended strand (participates in β ladder)trans-122.9136.7175.3-59.8-81000110.5I66 N67 F84 T85 V87 L90 P489 E491I66-F73 HydrophobicContact CG2-CB 4.11Å; I66-F73 HydrophobicContact CG2-CD1 4.08Å; N67-F73 WeakPolarHBondContact O-CA 3.39Å; F73-F84 PolarHBondContact N-O 3.18Å; F73-T85 WeakPolarHBondContact CE2-O 3.48Å; F73-V87 HydrophobicContact CD1-CG2 3.82Å; F73-V87 HydrophobicContact CD2-CG2 4.27Å; F73-V87 HydrophobicContact CE1-CG2 3.82Å; F73-V87 HydrophobicContact CE2-CG2 4.28Å; F73-V87 HydrophobicContact CG-CG2 4.04Å; F73-V87 HydrophobicContact CZ-CG2 4.06Å; F73-L90 HydrophobicContact CB-CD2 3.98Å; F73-P489 HydrophobicContact CE1-CB 3.55Å; F73-P489 HydrophobicContact CE1-CG 3.78Å; F73-P489 HydrophobicContact CZ-CB 3.77Å; F73-P489 HydrophobicContact CZ-CG 4.06Å; F73-E491 HydrophobicContact CE2-CG 3.95Å; F73-E491 HydrophobicContact CZ-CG 3.93Å
74W96.1Very high92.4Very high17 Ų1757 Ų576%0.06431%0.311CS..EExtended strand (participates in β ladder)trans-154.9154.3178.462.397.3000113N67 N69 L72 T76 D79 R80N67-W74 HydrophobicContact CB-CD2 3.84Å; N67-W74 HydrophobicContact CB-CG 4.03Å; N67-W74 HydrophobicContact CB-CH2 4.49Å; N67-W74 HydrophobicContact CB-CZ2 3.68Å; N67-W74 WeakPolarHBondContact CB-O 3.34Å; N67-W74 PolarHBondContact N-O 2.81Å; N67-W74 PolarHBondContact O-N 3.38Å; N69-W74 HydrophobicContact CB-CH2 3.79Å; N69-W74 HydrophobicContact CB-CZ3 4.06Å; N69-W74 VanDerWaalsContact N-CH2 3.29Å; N69-W74 VanDerWaalsContact N-CZ3 3.35Å; L72-W74 HydrophobicContact CB-CE3 4.04Å; L72-W74 HydrophobicContact CB-CZ3 3.97Å; L72-W74 VanDerWaalsContact O-CZ3 3.31Å; L72-W74 WeakPolarHBondContact O-CZ3 3.45Å; W74-T76 WeakPolarHBondContact CB-O 3.28Å; W74-D79 HydrophobicContact CB-CB 3.69Å; W74-R80 HydrophobicContact CB-CG 4.26Å; W74-R80 HydrophobicContact CD2-CG 3.79Å; W74-R80 HydrophobicContact CE3-CG 4.12Å; W74-R80 HydrophobicContact CG-CG 3.84Å
75F93.7Very high92.3Very high20 Ų2056.2 Ų56.29%0.08831%0.307CS..SBendtrans-92.2-46.5162.2-69-67.2000110.2V52 V64 I66 N67 D79 L90 I91 Y94 I101V52-F75 HydrophobicContact CG2-CE1 3.74Å; V52-F75 HydrophobicContact CG2-CZ 3.53Å; V64-F75 HydrophobicContact CB-CE1 4.5Å; V64-F75 HydrophobicContact CG1-CD1 3.68Å; V64-F75 HydrophobicContact CG1-CE1 3.9Å; I66-F75 HydrophobicContact CD1-CE1 4.25Å; I66-F75 HydrophobicContact CD1-CZ 4Å; I66-F75 HydrophobicContact CG1-CD1 4.26Å; I66-F75 HydrophobicContact CG1-CE1 3.47Å; I66-F75 VanDerWaalsContact CG1-CE1 3.47Å; I66-F75 HydrophobicContact CG1-CZ 3.72Å; N67-F75 PolarHBondContact ND2-O 2.99Å; F75-D79 PolarHBondContact N-OD2 2.83Å; F75-D79 VanDerWaalsContact N-OD2 3.16Å; F75-L90 HydrophobicContact CD2-CD1 4.14Å; F75-L90 HydrophobicContact CD2-CD2 4.07Å; F75-L90 HydrophobicContact CD2-CG 4.16Å; F75-L90 HydrophobicContact CE2-CD1 4.45Å; F75-L90 HydrophobicContact CE2-CD2 3.93Å; F75-L90 HydrophobicContact CE2-CG 3.99Å; F75-L90 HydrophobicContact CZ-CD2 4.48Å; F75-I91 HydrophobicContact CE2-CD1 4.17Å; F75-I91 HydrophobicContact CZ-CD1 4.04Å; F75-Y94 HydrophobicContact CD2-CD1 4.48Å; F75-Y94 AromaticContact CD2-CD2 3.97Å; F75-Y94 HydrophobicContact CD2-CD2 3.97Å; F75-Y94 HydrophobicContact CD2-CE1 4.12Å; F75-Y94 AromaticContact CD2-CE2 3.56Å; F75-Y94 HydrophobicContact CD2-CE2 3.56Å; F75-Y94 HydrophobicContact CD2-CG 4.43Å; F75-Y94 AromaticContact CD2-CZ 3.64Å; F75-Y94 HydrophobicContact CE2-CD2 4.2Å; F75-Y94 HydrophobicContact CE2-CE2 4.25Å; F75-Y94 HydrophobicContact CE2-CG 4.47Å; F75-I101 HydrophobicContact CD1-CD1 4.31Å; F75-I101 HydrophobicContact CD2-CD1 4.09Å; F75-I101 HydrophobicContact CD2-CG1 4.35Å; F75-I101 HydrophobicContact CE1-CD1 4.11Å; F75-I101 HydrophobicContact CE2-CD1 3.89Å; F75-I101 HydrophobicContact CG-CD1 4.3Å; F75-I101 HydrophobicContact CG-CG1 4.5Å; F75-I101 HydrophobicContact CZ-CD1 3.9Å
76T91Very high92.3Very high41 Ų4152.5 Ų52.525%0.25229%0.293SS..SBendtrans-117.5160.2-176.265.70000111.5W74 E78 D79W74-T76 WeakPolarHBondContact CB-O 3.28Å; T76-E78 PolarHBondContact O-N 3.02Å; T76-D79 PolarHBondContact N-OD2 2.81Å; T76-D79 WeakPolarHBondContact O-CB 3.38Å; T76-D79 PolarHBondContact O-N 2.91Å; T76-D79 VanDerWaalsContact O-N 3.1Å; T76-D79 PolarHBondContact OG1-OD1 2.82Å; T76-D79 PolarHBondContact OG1-OD2 3.35Å
77D88.3Confident92.3Very high116 Ų11652 Ų5262%0.6229%0.29SS*.G310 helixtrans-64-25178.5-74.7-32.4000113.2D79 R80D77-D79 VanDerWaalsContact C-N 3.29Å; D77-D79 PolarHBondContact O-N 3.37Å; D77-R80 WeakPolarHBondContact O-CB 3.48Å; D77-R80 PolarHBondContact O-N 2.91Å; D77-R80 IonicContact OD1-CZ 2.67Å; D77-R80 IonicContact OD1-NE 3.66Å; D77-R80 PolarHBondContact OD1-NE 2.91Å; D77-R80 IonicContact OD1-NH1 2.73Å; D77-R80 IonicContact OD1-NH2 2.59Å; D77-R80 PolarHBondContact OD1-NH2 2.92Å
78E90.4Very high92.3Very high142 Ų14250 Ų5066%0.66428%0.278SS*.G310 helixtrans-63.3-36.1173.7-63.4-174.8171.100112.1T76 R80 G81 Y82T76-E78 PolarHBondContact O-N 3.02Å; E78-R80 PolarHBondContact O-N 3.35Å; E78-G81 PolarHBondContact O-N 2.99Å; E78-Y82 WeakPolarHBondContact O-CD2 3.34Å
79D92.8Very high92.4Very high0 Ų050.8 Ų50.80%027%0.274CS..G310 helixtrans-64.5-25.1-177.8-53.7-41.7000111.5W74 F75 T76 D77 G81 Y82 G83 F84 L90 Y94 K99W74-D79 HydrophobicContact CB-CB 3.69Å; F75-D79 PolarHBondContact N-OD2 2.83Å; F75-D79 VanDerWaalsContact N-OD2 3.16Å; T76-D79 PolarHBondContact N-OD2 2.81Å; T76-D79 WeakPolarHBondContact O-CB 3.38Å; T76-D79 PolarHBondContact O-N 2.91Å; T76-D79 VanDerWaalsContact O-N 3.1Å; T76-D79 PolarHBondContact OG1-OD1 2.82Å; T76-D79 PolarHBondContact OG1-OD2 3.35Å; D77-D79 VanDerWaalsContact C-N 3.29Å; D77-D79 PolarHBondContact O-N 3.37Å; D79-G81 PolarHBondContact O-N 3.01Å; D79-Y82 WeakPolarHBondContact O-CB 3.46Å; D79-Y82 PolarHBondContact O-N 2.77Å; D79-G83 PolarHBondContact O-N 3.36Å; D79-F84 HydrophobicContact CB-CD2 4.33Å; D79-F84 HydrophobicContact CB-CE2 4.2Å; D79-L90 HydrophobicContact CB-CD1 4.35Å; D79-Y94 VanDerWaalsContact CG-OH 3.23Å; D79-Y94 PolarHBondContact OD1-OH 3.02Å; D79-Y94 VanDerWaalsContact OD1-OH 3.08Å; D79-Y94 PolarHBondContact OD2-OH 3.06Å; D79-K99 IonicContact OD1-NZ 2.68Å; D79-K99 PolarHBondContact OD1-NZ 3.29Å
80R91.3Very high92.6Very high125 Ų12546 Ų4647%0.47225%0.248SC..G310 helixtrans-59.7-31.1174.7-61.5-175.8-177.4-178.111.4112.3W74 D77 E78 Y82 G83W74-R80 HydrophobicContact CB-CG 4.26Å; W74-R80 HydrophobicContact CD2-CG 3.79Å; W74-R80 HydrophobicContact CE3-CG 4.12Å; W74-R80 HydrophobicContact CG-CG 3.84Å; D77-R80 WeakPolarHBondContact O-CB 3.48Å; D77-R80 PolarHBondContact O-N 2.91Å; D77-R80 IonicContact OD1-CZ 2.67Å; D77-R80 IonicContact OD1-NE 3.66Å; D77-R80 PolarHBondContact OD1-NE 2.91Å; D77-R80 IonicContact OD1-NH1 2.73Å; D77-R80 IonicContact OD1-NH2 2.59Å; D77-R80 PolarHBondContact OD1-NH2 2.92Å; E78-R80 PolarHBondContact O-N 3.35Å; R80-Y82 PolarHBondContact O-N 2.83Å; R80-G83 PolarHBondContact O-N 2.72Å
81G90.6Very high93Very high74 Ų7444 Ų4476%0.76323%0.228SC*.G310 helixtrans-66.7-24.7176.900000113.6E78 D79E78-G81 PolarHBondContact O-N 2.99Å; D79-G81 PolarHBondContact O-N 3.01Å
82Y91.5Very high93.3Very high128 Ų12843.8 Ų43.850%0.50222%0.224SC..THydrogen-bonded Turntrans-84.1-22.3176.9-62.9-87.8000112.5E78 D79 R80 F84 Y93E78-Y82 WeakPolarHBondContact O-CD2 3.34Å; D79-Y82 WeakPolarHBondContact O-CB 3.46Å; D79-Y82 PolarHBondContact O-N 2.77Å; R80-Y82 PolarHBondContact O-N 2.83Å; Y82-F84 HydrophobicContact CD2-CE2 4.33Å; Y82-F84 HydrophobicContact CG-CE2 4.09Å; Y82-F84 HydrophobicContact CG-CZ 4.07Å; Y82-Y93 HydrophobicContact CE1-CE2 4.17Å; Y82-Y93 AromaticContact CZ-CZ 3.94Å; Y82-Y93 PolarHBondContact OH-OH 2.68Å
83G91.6Very high93.3Very high18 Ų1843.9 Ų43.919%0.18622%0.222CC..THydrogen-bonded Turntrans6747.7172.900000113.5D79 R80 T85D79-G83 PolarHBondContact O-N 3.36Å; R80-G83 PolarHBondContact O-N 2.72Å; G83-T85 PolarHBondContact O-N 3.09Å
84F94.7Very high93.2Very high23 Ų2343.8 Ų43.810%0.10122%0.222CC..  trans-66.3115.2175.2-59.2-68.3000110.8L72 F73 D79 Y82 R89 L90 Y93L72-F84 CarbonylContact C-O 3.55Å; L72-F84 VanDerWaalsContact CA-O 3.25Å; L72-F84 WeakPolarHBondContact CA-O 3.5Å; F73-F84 PolarHBondContact N-O 3.18Å; D79-F84 HydrophobicContact CB-CD2 4.33Å; D79-F84 HydrophobicContact CB-CE2 4.2Å; Y82-F84 HydrophobicContact CD2-CE2 4.33Å; Y82-F84 HydrophobicContact CG-CE2 4.09Å; Y82-F84 HydrophobicContact CG-CZ 4.07Å; F84-R89 HydrophobicContact CD1-CB 3.92Å; F84-R89 WeakPolarHBondContact CE1-O 3.41Å; F84-L90 HydrophobicContact CB-CB 4.15Å; F84-L90 HydrophobicContact CD2-CB 4.27Å; F84-L90 HydrophobicContact CD2-CD1 3.59Å; F84-L90 HydrophobicContact CE2-CD1 3.85Å; F84-L90 HydrophobicContact CG-CB 4.09Å; F84-L90 HydrophobicContact CG-CD1 4.27Å; F84-Y93 HydrophobicContact CE1-CG 4.15Å; F84-Y93 HydrophobicContact CE2-CD1 4.01Å; F84-Y93 HydrophobicContact CE2-CG 4.3Å; F84-Y93 AromaticContact CZ-CD1 3.62Å; F84-Y93 HydrophobicContact CZ-CD1 3.62Å; F84-Y93 HydrophobicContact CZ-CD2 4.02Å; F84-Y93 HydrophobicContact CZ-CE1 4.3Å; F84-Y93 AromaticContact CZ-CG 3.45Å; F84-Y93 HydrophobicContact CZ-CG 3.45Å; F84-Y93 VanDerWaalsContact CZ-CG 3.45Å
85T93.8Very high93Very high6 Ų645.5 Ų45.54%0.03723%0.234CC..  trans-103.21.4178.8550000113.5T71 L72 F73 G83 L478 S492T71-T85 WeakPolarHBondContact O-CA 3.49Å; L72-T85 HydrophobicContact CD2-CG2 3.8Å; F73-T85 WeakPolarHBondContact CE2-O 3.48Å; G83-T85 PolarHBondContact O-N 3.09Å; T85-L478 HydrophobicContact CG2-CD1 4.41Å; T85-S492 WeakPolarHBondContact CB-O 3.36Å; T85-S492 PolarHBondContact O-N 3.23Å; T85-S492 PolarHBondContact OG1-O 3.03Å
86V94.7Very high92.9Very high0 Ų052 Ų520%026%0.264CS..SBendtrans-139.5134.5178.9-1740000107.3A10 Q88 R89 L90 L481 E491 S492 L493A10-V86 HydrophobicContact CB-CB 4.4Å; A10-V86 HydrophobicContact CB-CG1 3.89Å; A10-V86 HydrophobicContact CB-CG2 4.48Å; V86-Q88 VanDerWaalsContact C-N 3.29Å; V86-Q88 HydrophobicContact CG1-CB 4.2Å; V86-Q88 PolarHBondContact O-N 3.34Å; V86-R89 HydrophobicContact CB-CG 4.48Å; V86-R89 PolarHBondContact O-N 3.49Å; V86-L90 PolarHBondContact O-N 3Å; V86-L481 HydrophobicContact CG1-CD1 4.34Å; V86-L481 HydrophobicContact CG2-CD1 4.33Å; V86-E491 WeakPolarHBondContact CG1-OE1 3.44Å; V86-S492 WeakPolarHBondContact CG2-O 3.36Å; V86-L493 HydrophobicContact CG2-CD2 3.56Å; V86-L493 HydrophobicContact CG2-CG 4.39Å
87V95.9Very high92.9Very high0 Ų054.5 Ų54.50%028%0.276CS..Hα-helixtrans-60.8-41.2-177175.60000110.6L13 L40 L50 I66 F73 R89 L90 I91 E491L13-V87 HydrophobicContact CD1-CB 4.4Å; L13-V87 HydrophobicContact CD1-CG1 4.15Å; L40-V87 HydrophobicContact CD1-CG1 3.75Å; L50-V87 HydrophobicContact CD2-CG1 4.06Å; L50-V87 HydrophobicContact CD2-CG2 3.62Å; I66-V87 HydrophobicContact CD1-CG1 4.01Å; F73-V87 HydrophobicContact CD1-CG2 3.82Å; F73-V87 HydrophobicContact CD2-CG2 4.27Å; F73-V87 HydrophobicContact CE1-CG2 3.82Å; F73-V87 HydrophobicContact CE2-CG2 4.28Å; F73-V87 HydrophobicContact CG-CG2 4.04Å; F73-V87 HydrophobicContact CZ-CG2 4.06Å; V87-R89 VanDerWaalsContact C-N 3.27Å; V87-R89 PolarHBondContact O-N 2.91Å; V87-L90 WeakPolarHBondContact O-CB 3.41Å; V87-L90 PolarHBondContact O-N 2.93Å; V87-I91 HydrophobicContact CG1-CG1 4.19Å; V87-I91 WeakPolarHBondContact O-CG1 3.14Å; V87-I91 PolarHBondContact O-N 3.49Å; V87-E491 WeakPolarHBondContact CB-OE1 3.47Å; V87-E491 PolarHBondContact N-OE1 3.44Å
88Q94.9Very high92.9Very high36 Ų3656.8 Ų56.817%0.16828%0.283CS..Hα-helixtrans-53.5-45.5178.2-166-171.2-21.200112L16 V86 L90 I91 D92L16-Q88 HydrophobicContact CD1-CB 4.15Å; L16-Q88 HydrophobicContact CD2-CB 3.82Å; L16-Q88 HydrophobicContact CD2-CG 3.65Å; V86-Q88 VanDerWaalsContact C-N 3.29Å; V86-Q88 HydrophobicContact CG1-CB 4.2Å; V86-Q88 PolarHBondContact O-N 3.34Å; Q88-L90 VanDerWaalsContact C-N 3.29Å; Q88-L90 PolarHBondContact O-N 3.25Å; Q88-I91 PolarHBondContact O-N 3.49Å; Q88-I91 VanDerWaalsContact O-N 3.16Å; Q88-D92 WeakPolarHBondContact CG-OD2 3.39Å; Q88-D92 PolarHBondContact NE2-OD2 3.04Å; Q88-D92 WeakPolarHBondContact O-CB 3.33Å; Q88-D92 PolarHBondContact O-N 3.22Å
89R94.1Very high92.9Very high81 Ų8151.9 Ų51.931%0.30626%0.26SS..Hα-helixtrans-66.5-32-179-69.4-176.7169-172.7-7.4113A10 F84 V86 V87 Y93 E498A10-R89 HydrophobicContact CB-CG 4.29Å; F84-R89 HydrophobicContact CD1-CB 3.92Å; F84-R89 WeakPolarHBondContact CE1-O 3.41Å; V86-R89 HydrophobicContact CB-CG 4.48Å; V86-R89 PolarHBondContact O-N 3.49Å; V87-R89 VanDerWaalsContact C-N 3.27Å; V87-R89 PolarHBondContact O-N 2.91Å; R89-Y93 VanDerWaalsContact O-CB 3.27Å; R89-Y93 WeakPolarHBondContact O-CB 3.35Å; R89-Y93 PolarHBondContact O-N 3.06Å; R89-E498 IonicContact CZ-OE1 3.27Å; R89-E498 IonicContact CZ-OE2 3.27Å; R89-E498 IonicContact NE-OE1 2.77Å; R89-E498 IonicContact NH1-OE2 3.61Å; R89-E498 IonicContact NH2-OE1 2.86Å; R89-E498 PolarHBondContact NH2-OE1 3.35Å; R89-E498 IonicContact NH2-OE2 2.72Å; R89-E498 PolarHBondContact NH2-OE2 2.85Å
90L96Very high92.8Very high0 Ų053.4 Ų53.40%027%0.273CS..Hα-helixtrans-65.6-49172.5174.466.8000109.8I66 F73 F75 D79 F84 V86 V87 Q88 Y93 Y94I66-L90 HydrophobicContact CD1-CD2 4.48Å; I66-L90 HydrophobicContact CG2-CD2 3.9Å; F73-L90 HydrophobicContact CB-CD2 3.98Å; F75-L90 HydrophobicContact CD2-CD1 4.14Å; F75-L90 HydrophobicContact CD2-CD2 4.07Å; F75-L90 HydrophobicContact CD2-CG 4.16Å; F75-L90 HydrophobicContact CE2-CD1 4.45Å; F75-L90 HydrophobicContact CE2-CD2 3.93Å; F75-L90 HydrophobicContact CE2-CG 3.99Å; F75-L90 HydrophobicContact CZ-CD2 4.48Å; D79-L90 HydrophobicContact CB-CD1 4.35Å; F84-L90 HydrophobicContact CB-CB 4.15Å; F84-L90 HydrophobicContact CD2-CB 4.27Å; F84-L90 HydrophobicContact CD2-CD1 3.59Å; F84-L90 HydrophobicContact CE2-CD1 3.85Å; F84-L90 HydrophobicContact CG-CB 4.09Å; F84-L90 HydrophobicContact CG-CD1 4.27Å; V86-L90 PolarHBondContact O-N 3Å; V87-L90 WeakPolarHBondContact O-CB 3.41Å; V87-L90 PolarHBondContact O-N 2.93Å; Q88-L90 VanDerWaalsContact C-N 3.29Å; Q88-L90 PolarHBondContact O-N 3.25Å; L90-Y93 PolarHBondContact O-N 2.71Å; L90-Y94 HydrophobicContact CD1-CD2 4.04Å; L90-Y94 HydrophobicContact CD1-CE2 3.74Å; L90-Y94 WeakPolarHBondContact O-CD2 3.42Å; L90-Y94 PolarHBondContact O-N 2.83Å
91I95.3Very high92.7Very high1 Ų147.7 Ų47.71%0.00525%0.251CS..Hα-helixtrans-63-49.8179.3-61.5-57.6000111.3Y18 F38 L40 V52 I66 F75 V87 Q88 Y93 Y94 V95 L117Y18-I91 HydrophobicContact CE2-CG1 4.37Å; Y18-I91 HydrophobicContact CE2-CG2 4.07Å; F38-I91 HydrophobicContact CE2-CG2 3.92Å; F38-I91 HydrophobicContact CZ-CG2 3.95Å; L40-I91 HydrophobicContact CD1-CG1 4.26Å; L40-I91 HydrophobicContact CD2-CD1 4.16Å; V52-I91 HydrophobicContact CG2-CD1 4.33Å; I66-I91 HydrophobicContact CD1-CD1 4.4Å; F75-I91 HydrophobicContact CE2-CD1 4.17Å; F75-I91 HydrophobicContact CZ-CD1 4.04Å; V87-I91 HydrophobicContact CG1-CG1 4.19Å; V87-I91 WeakPolarHBondContact O-CG1 3.14Å; V87-I91 PolarHBondContact O-N 3.49Å; Q88-I91 PolarHBondContact O-N 3.49Å; Q88-I91 VanDerWaalsContact O-N 3.16Å; I91-Y93 VanDerWaalsContact C-N 3.25Å; I91-Y93 PolarHBondContact O-N 2.92Å; I91-Y94 PolarHBondContact O-N 2.83Å; I91-V95 HydrophobicContact CG2-CG2 4.14Å; I91-V95 WeakPolarHBondContact O-CG2 3.48Å; I91-V95 PolarHBondContact O-N 2.69Å; I91-L117 HydrophobicContact CD1-CD1 3.86Å; I91-L117 HydrophobicContact CG2-CD1 4.13Å
92D93.1Very high92.5Very high50 Ų5047.7 Ų47.727%0.26724%0.237SC..Hα-helixtrans-57-40.6178.2-67.7-10.2000110.7Q88 Y94 V95 E96Q88-D92 WeakPolarHBondContact CG-OD2 3.39Å; Q88-D92 PolarHBondContact NE2-OD2 3.04Å; Q88-D92 WeakPolarHBondContact O-CB 3.33Å; Q88-D92 PolarHBondContact O-N 3.22Å; D92-Y94 VanDerWaalsContact C-N 3.35Å; D92-Y94 PolarHBondContact O-N 2.83Å; D92-V95 PolarHBondContact O-N 3.42Å; D92-E96 WeakPolarHBondContact O-CB 3.41Å; D92-E96 VanDerWaalsContact O-CG 3.24Å; D92-E96 WeakPolarHBondContact O-CG 3.49Å; D92-E96 PolarHBondContact O-N 2.77Å
93Y93.7Very high92Very high41 Ų4143.1 Ų43.116%0.16122%0.22CC..Hα-helixtrans-60.6-42.1174.8170.5-103.3000112.5Y82 F84 R89 L90 I91 N97 K99Y82-Y93 HydrophobicContact CE1-CE2 4.17Å; Y82-Y93 AromaticContact CZ-CZ 3.94Å; Y82-Y93 PolarHBondContact OH-OH 2.68Å; F84-Y93 HydrophobicContact CE1-CG 4.15Å; F84-Y93 HydrophobicContact CE2-CD1 4.01Å; F84-Y93 HydrophobicContact CE2-CG 4.3Å; F84-Y93 AromaticContact CZ-CD1 3.62Å; F84-Y93 HydrophobicContact CZ-CD1 3.62Å; F84-Y93 HydrophobicContact CZ-CD2 4.02Å; F84-Y93 HydrophobicContact CZ-CE1 4.3Å; F84-Y93 AromaticContact CZ-CG 3.45Å; F84-Y93 HydrophobicContact CZ-CG 3.45Å; F84-Y93 VanDerWaalsContact CZ-CG 3.45Å; R89-Y93 VanDerWaalsContact O-CB 3.27Å; R89-Y93 WeakPolarHBondContact O-CB 3.35Å; R89-Y93 PolarHBondContact O-N 3.06Å; L90-Y93 PolarHBondContact O-N 2.71Å; I91-Y93 VanDerWaalsContact C-N 3.25Å; I91-Y93 PolarHBondContact O-N 2.92Å; Y93-N97 VanDerWaalsContact CD2-ND2 3.29Å; Y93-N97 WeakPolarHBondContact CD2-ND2 3.28Å; Y93-N97 VanDerWaalsContact O-CB 3.32Å; Y93-N97 WeakPolarHBondContact O-CB 3.3Å; Y93-N97 PolarHBondContact O-N 3.23Å; Y93-N97 PolarHBondContact O-ND2 2.91Å; Y93-K99 HydrophobicContact CD1-CD 4.43Å; Y93-K99 HydrophobicContact CE1-CD 3.55Å
94Y94.6Very high91Very high1 Ų148.3 Ų48.30%0.00424%0.243CC..Hα-helixtrans-69.5-40.1177.7-87.6-102.5000112.3F75 D79 L90 I91 D92 E98 K99 I101F75-Y94 HydrophobicContact CD2-CD1 4.48Å; F75-Y94 AromaticContact CD2-CD2 3.97Å; F75-Y94 HydrophobicContact CD2-CD2 3.97Å; F75-Y94 HydrophobicContact CD2-CE1 4.12Å; F75-Y94 AromaticContact CD2-CE2 3.56Å; F75-Y94 HydrophobicContact CD2-CE2 3.56Å; F75-Y94 HydrophobicContact CD2-CG 4.43Å; F75-Y94 AromaticContact CD2-CZ 3.64Å; F75-Y94 HydrophobicContact CE2-CD2 4.2Å; F75-Y94 HydrophobicContact CE2-CE2 4.25Å; F75-Y94 HydrophobicContact CE2-CG 4.47Å; D79-Y94 VanDerWaalsContact CG-OH 3.23Å; D79-Y94 PolarHBondContact OD1-OH 3.02Å; D79-Y94 VanDerWaalsContact OD1-OH 3.08Å; D79-Y94 PolarHBondContact OD2-OH 3.06Å; L90-Y94 HydrophobicContact CD1-CD2 4.04Å; L90-Y94 HydrophobicContact CD1-CE2 3.74Å; L90-Y94 WeakPolarHBondContact O-CD2 3.42Å; L90-Y94 PolarHBondContact O-N 2.83Å; I91-Y94 PolarHBondContact O-N 2.83Å; D92-Y94 VanDerWaalsContact C-N 3.35Å; D92-Y94 PolarHBondContact O-N 2.83Å; Y94-E98 PolarHBondContact O-N 2.84Å; Y94-K99 HydrophobicContact CD1-CB 3.88Å; Y94-K99 HydrophobicContact CD1-CD 4.21Å; Y94-K99 HydrophobicContact CD1-CG 4.04Å; Y94-K99 VanDerWaalsContact CD1-O 3.28Å; Y94-K99 WeakPolarHBondContact CD1-O 3.45Å; Y94-K99 HydrophobicContact CE1-CB 4.22Å; Y94-K99 HydrophobicContact CE1-CD 3.78Å; Y94-K99 HydrophobicContact CE1-CG 3.84Å; Y94-K99 HydrophobicContact CE2-CD 4.25Å; Y94-K99 HydrophobicContact CG-CB 4.32Å; Y94-K99 PolarHBondContact O-N 3.07Å; Y94-I101 HydrophobicContact CD1-CD1 4.28Å; Y94-I101 HydrophobicContact CD1-CG1 3.56Å; Y94-I101 HydrophobicContact CE1-CB 4.48Å; Y94-I101 HydrophobicContact CE1-CD1 4.45Å; Y94-I101 HydrophobicContact CE1-CG1 3.46Å; Y94-I101 VanDerWaalsContact CE1-CG1 3.46Å
95V92.1Very high89.4Confident53 Ų5350.2 Ų50.232%0.32126%0.258SS..Hα-helixtrans-68.9-53178.4175.20000111.3F38 I91 D92 N97 E98 L117F38-V95 HydrophobicContact CE1-CG2 4.38Å; F38-V95 HydrophobicContact CZ-CG2 4.32Å; I91-V95 HydrophobicContact CG2-CG2 4.14Å; I91-V95 WeakPolarHBondContact O-CG2 3.48Å; I91-V95 PolarHBondContact O-N 2.69Å; D92-V95 PolarHBondContact O-N 3.42Å; V95-N97 VanDerWaalsContact C-N 3.27Å; V95-N97 PolarHBondContact O-N 2.68Å; V95-E98 PolarHBondContact O-N 2.67Å; V95-L117 HydrophobicContact CG2-CB 3.7Å; V95-L117 HydrophobicContact CG2-CD1 4.46Å
96E90.4Very high87.6Confident155 Ų15558.4 Ų58.472%0.72430%0.296SS*.Hα-helixtrans-65.5-28.4-175.7-70.6-177.5167.700113.3D92D92-E96 WeakPolarHBondContact O-CB 3.41Å; D92-E96 VanDerWaalsContact O-CG 3.24Å; D92-E96 WeakPolarHBondContact O-CG 3.49Å; D92-E96 PolarHBondContact O-N 2.77Å
97N90.3Very high85.7Confident94 Ų9465.9 Ų65.950%0.50333%0.33SS..THydrogen-bonded Turntrans-100.84.5179.7-62.7-87000113.1Y93 V95 K99Y93-N97 VanDerWaalsContact CD2-ND2 3.29Å; Y93-N97 WeakPolarHBondContact CD2-ND2 3.28Å; Y93-N97 VanDerWaalsContact O-CB 3.32Å; Y93-N97 WeakPolarHBondContact O-CB 3.3Å; Y93-N97 PolarHBondContact O-N 3.23Å; Y93-N97 PolarHBondContact O-ND2 2.91Å; V95-N97 VanDerWaalsContact C-N 3.27Å; V95-N97 PolarHBondContact O-N 2.68Å; N97-K99 PolarHBondContact O-N 2.77Å; N97-K99 VanDerWaalsContact O-N 3.07Å
98E89.4Confident83.4Confident164 Ų16473.5 Ų73.577%0.76637%0.366SS*.THydrogen-bonded Turntrans47.237.9-174.1-60.1179.7172.200111.8Y94 V95 A100 L116Y94-E98 PolarHBondContact O-N 2.84Å; V95-E98 PolarHBondContact O-N 2.67Å; E98-A100 PolarHBondContact O-N 3.26Å; E98-L116 VanDerWaalsContact O-CD2 3.29Å; E98-L116 WeakPolarHBondContact O-CD2 3.39Å
99K91.1Very high81.1Confident39 Ų3981.5 Ų81.517%0.1740%0.4CS..PPolyproline II helixtrans-76.5123.8-176-172.7178.4178.31800108.3D79 Y93 Y94 N97D79-K99 IonicContact OD1-NZ 2.68Å; D79-K99 PolarHBondContact OD1-NZ 3.29Å; Y93-K99 HydrophobicContact CD1-CD 4.43Å; Y93-K99 HydrophobicContact CE1-CD 3.55Å; Y94-K99 HydrophobicContact CD1-CB 3.88Å; Y94-K99 HydrophobicContact CD1-CD 4.21Å; Y94-K99 HydrophobicContact CD1-CG 4.04Å; Y94-K99 VanDerWaalsContact CD1-O 3.28Å; Y94-K99 WeakPolarHBondContact CD1-O 3.45Å; Y94-K99 HydrophobicContact CE1-CB 4.22Å; Y94-K99 HydrophobicContact CE1-CD 3.78Å; Y94-K99 HydrophobicContact CE1-CG 3.84Å; Y94-K99 HydrophobicContact CE2-CD 4.25Å; Y94-K99 HydrophobicContact CG-CB 4.32Å; Y94-K99 PolarHBondContact O-N 3.07Å; N97-K99 PolarHBondContact O-N 2.77Å; N97-K99 VanDerWaalsContact O-N 3.07Å
100A89.3Confident79.1Confident33 Ų3387 Ų8727%0.27343%0.429SS..PPolyproline II helixtrans-73.7138.3174.200000111.5E98 L114 V115 L116E98-A100 PolarHBondContact O-N 3.26Å; A100-L114 HydrophobicContact CB-CB 3.98Å; A100-L114 HydrophobicContact CB-CD2 4.09Å; A100-L114 HydrophobicContact CB-CG 4.42Å; A100-V115 WeakPolarHBondContact CA-O 3.46Å; A100-L116 HydrophobicContact CB-CD2 4Å
101I90.3Very high77.4Confident4 Ų490.2 Ų90.22%0.02146%0.456CS..EExtended strand (participates in β ladder)trans-85.2127.1165.9-59.4170.6000107.6I54 V64 F75 Y94 I103 L114 V115 L117I54-I101 HydrophobicContact CD1-CD1 3.98Å; V64-I101 HydrophobicContact CG1-CG2 3.99Å; V64-I101 HydrophobicContact CG2-CG2 4.29Å; F75-I101 HydrophobicContact CD1-CD1 4.31Å; F75-I101 HydrophobicContact CD2-CD1 4.09Å; F75-I101 HydrophobicContact CD2-CG1 4.35Å; F75-I101 HydrophobicContact CE1-CD1 4.11Å; F75-I101 HydrophobicContact CE2-CD1 3.89Å; F75-I101 HydrophobicContact CG-CD1 4.3Å; F75-I101 HydrophobicContact CG-CG1 4.5Å; F75-I101 HydrophobicContact CZ-CD1 3.9Å; Y94-I101 HydrophobicContact CD1-CD1 4.28Å; Y94-I101 HydrophobicContact CD1-CG1 3.56Å; Y94-I101 HydrophobicContact CE1-CB 4.48Å; Y94-I101 HydrophobicContact CE1-CD1 4.45Å; Y94-I101 HydrophobicContact CE1-CG1 3.46Å; Y94-I101 VanDerWaalsContact CE1-CG1 3.46Å; I101-I103 HydrophobicContact CG2-CG1 4.48Å; I101-L114 WeakPolarHBondContact O-CA 3.31Å; I101-V115 HydrophobicContact CB-CG2 3.77Å; I101-V115 HydrophobicContact CG2-CG2 4.38Å; I101-V115 PolarHBondContact N-O 2.97Å; I101-V115 PolarHBondContact O-N 2.83Å; I101-L117 HydrophobicContact CD1-CD1 4.4Å; I101-L117 HydrophobicContact CD1-CD2 4.21Å; I101-L117 HydrophobicContact CD1-CG 4.22Å
102V85.4Confident76.2Confident75 Ų7594.1 Ų94.146%0.45548%0.479SS..EExtended strand (participates in β ladder)trans-87.5112.8-180-178.10000109.1L104 V112 L114V102-L104 HydrophobicContact CG1-CD2 4.39Å; V102-V112 HydrophobicContact CG1-CG1 3.5Å; V102-L114 HydrophobicContact CB-CD2 4.33Å; V102-L114 HydrophobicContact CG2-CD2 3.74Å
103I81.7Confident75.4Confident31 Ų3193.7 Ų93.716%0.15948%0.479CS..EExtended strand (participates in β ladder)trans-102.1121.1175.8-53.5-176.4000108.8H62 V64 I101 T113 V115H62-I103 HydrophobicContact CB-CD1 3.42Å; H62-I103 VanDerWaalsContact CB-CD1 3.42Å; V64-I103 HydrophobicContact CG2-CD1 3.56Å; V64-I103 HydrophobicContact CG2-CG1 3.98Å; I101-I103 HydrophobicContact CG2-CG1 4.48Å; I103-T113 PolarHBondContact N-O 3.38Å; I103-T113 PolarHBondContact O-N 2.82Å; I103-V115 HydrophobicContact CD1-CB 4.42Å; I103-V115 HydrophobicContact CD1-CG1 3.72Å; I103-V115 HydrophobicContact CD1-CG2 3.75Å; I103-V115 HydrophobicContact CG1-CG2 4.21Å
104L70.9Confident74.8Confident128 Ų12896.8 Ų96.867%0.6750%0.498SS*.PPolyproline II helixtrans-96.8120.4174.5-62.1176.7000108.8V102 V112V102-L104 HydrophobicContact CG1-CD2 4.39Å; L104-V112 HydrophobicContact CD2-CG2 4.04Å
105P60.3Low74.4Confident63 Ų6396.8 Ų96.841%0.40950%0.498SS..PPolyproline II helixtrans-64.8136.9178.624.3-33.5000111.6H107 H108 A111P105-H107 VanDerWaalsContact C-N 3.25Å; P105-H107 PolarHBondContact O-N 3.29Å; P105-H108 WeakPolarHBondContact CG-O 3.19Å; P105-A111 WeakPolarHBondContact CD-O 3.37Å; P105-A111 WeakPolarHBondContact CG-O 3.48Å
106E56.8Low74.3Confident177 Ų17797.3 Ų97.383%0.82750%0.498SS*.SBendtrans-65.3-23.9-176.4-69.3-174.5156.800113.6
107H53Low74.3Confident158 Ų15890.4 Ų90.473%0.73147%0.466SS*.SBendtrans-130.3-4.4-167.7-71.9-53.8000118.6P105P105-H107 VanDerWaalsContact C-N 3.25Å; P105-H107 PolarHBondContact O-N 3.29Å
108H48Very low74.2Confident160 Ų16087.5 Ų87.574%0.74146%0.459SS*.  trans-143.3114.9175.2-75.8-69.6000113.4P105 Q110P105-H108 WeakPolarHBondContact CG-O 3.19Å; H108-Q110 PolarHBondContact O-N 2.9Å; H108-Q110 VanDerWaalsContact O-N 3.11Å
109K46.4Very low74.1Confident204 Ų20486.3 Ų86.389%0.88745%0.453SS*.THydrogen-bonded Turntrans-61.8103173.6-63.8174178.8176.90109.9
110Q53Low74.1Confident195 Ų19588.9 Ų88.991%0.91147%0.465SS*.THydrogen-bonded Turntrans167.4-13.6135-91.7166.19.500115.9H108H108-Q110 PolarHBondContact O-N 2.9Å; H108-Q110 VanDerWaalsContact O-N 3.11Å
111A59.7Low74Confident68 Ų6888.6 Ų88.656%0.56246%0.46SS*.  trans-105.1111.7177.800000111.2P105P105-A111 WeakPolarHBondContact CD-O 3.37Å; P105-A111 WeakPolarHBondContact CG-O 3.48Å
112V70.2Confident73.4Confident83 Ų8390.8 Ų90.850%0.50347%0.472SS..  trans-78.4124.1166.61720000107.3V102 L104 L114V102-V112 HydrophobicContact CG1-CG1 3.5Å; L104-V112 HydrophobicContact CD2-CG2 4.04Å; V112-L114 HydrophobicContact CG1-CD2 3.95Å; V112-L114 HydrophobicContact CG1-CG 4.38Å
113T76.7Confident72.6Confident42 Ų4290 Ų9026%0.25846%0.461SS..EExtended strand (participates in β ladder)trans-93.4129.5171.9-52.60000108.9I103 V115I103-T113 PolarHBondContact N-O 3.38Å; I103-T113 PolarHBondContact O-N 2.82Å; T113-V115 HydrophobicContact CG2-CG1 4.1Å
114L81.1Confident71.3Confident106 Ų10692.3 Ų92.356%0.55547%0.472SS*.EExtended strand (participates in β ladder)trans-106.9118.9176.5-65.7-178.7000108.2A100 I101 V102 V112A100-L114 HydrophobicContact CB-CB 3.98Å; A100-L114 HydrophobicContact CB-CD2 4.09Å; A100-L114 HydrophobicContact CB-CG 4.42Å; I101-L114 WeakPolarHBondContact O-CA 3.31Å; V102-L114 HydrophobicContact CB-CD2 4.33Å; V102-L114 HydrophobicContact CG2-CD2 3.74Å; V112-L114 HydrophobicContact CG1-CD2 3.95Å; V112-L114 HydrophobicContact CG1-CG 4.38Å
115V86.8Confident70.3Confident1 Ų191.9 Ų91.91%0.00647%0.466CS..EExtended strand (participates in β ladder)trans-113.1141.3177.4-56.70000110.6I54 D56 A100 I101 I103 T113I54-V115 HydrophobicContact CD1-CG2 3.8Å; I54-V115 HydrophobicContact CG2-CB 4.11Å; I54-V115 HydrophobicContact CG2-CG2 4.44Å; D56-V115 HydrophobicContact CB-CG1 3.96Å; A100-V115 WeakPolarHBondContact CA-O 3.46Å; I101-V115 HydrophobicContact CB-CG2 3.77Å; I101-V115 HydrophobicContact CG2-CG2 4.38Å; I101-V115 PolarHBondContact N-O 2.97Å; I101-V115 PolarHBondContact O-N 2.83Å; I103-V115 HydrophobicContact CD1-CB 4.42Å; I103-V115 HydrophobicContact CD1-CG1 3.72Å; I103-V115 HydrophobicContact CD1-CG2 3.75Å; I103-V115 HydrophobicContact CG1-CG2 4.21Å; T113-V115 HydrophobicContact CG2-CG1 4.1Å
116L89.9Confident69.8Low64 Ų6493.4 Ų93.434%0.33547%0.466SS..  trans-111.1136.6179-69.9169.7000110E98 A100 G118E98-L116 VanDerWaalsContact O-CD2 3.29Å; E98-L116 WeakPolarHBondContact O-CD2 3.39Å; A100-L116 HydrophobicContact CB-CD2 4Å; L116-G118 PolarHBondContact O-N 2.8Å
117L90.2Very high69.5Low9 Ų988.3 Ų88.35%0.04744%0.444CS..  trans-78.497.7168.4-59.1-175.7000108.2F38 V52 I54 I91 V95 I101F38-L117 HydrophobicContact CB-CD2 3.99Å; F38-L117 HydrophobicContact CD1-CB 4.01Å; F38-L117 HydrophobicContact CD1-CD2 4.14Å; F38-L117 HydrophobicContact CD2-CD2 4.05Å; F38-L117 HydrophobicContact CE1-CB 3.96Å; F38-L117 HydrophobicContact CG-CD2 3.8Å; F38-L117 HydrophobicContact CZ-CB 4.42Å; V52-L117 HydrophobicContact CG1-CD2 3.99Å; I54-L117 HydrophobicContact CD1-CD2 3.31Å; I54-L117 HydrophobicContact CG1-CD2 3.65Å; I91-L117 HydrophobicContact CD1-CD1 3.86Å; I91-L117 HydrophobicContact CG2-CD1 4.13Å; V95-L117 HydrophobicContact CG2-CB 3.7Å; V95-L117 HydrophobicContact CG2-CD1 4.46Å; I101-L117 HydrophobicContact CD1-CD1 4.4Å; I101-L117 HydrophobicContact CD1-CD2 4.21Å; I101-L117 HydrophobicContact CD1-CG 4.22Å
118G87.3Confident69.7Low34 Ų3483.4 Ų83.435%0.35143%0.431SS..  trans-97.6-93178.300000111.8N36 L116N36-G118 CarbonylContact O-C 3.57Å; N36-G118 WeakPolarHBondContact O-CA 3.22Å; N36-G118 PolarHBondContact O-N 2.94Å; L116-G118 PolarHBondContact O-N 2.8Å
119H88.4Confident70.3Confident138 Ų13879.9 Ų79.964%0.63942%0.415SS*.EExtended strand (participates in β ladder)trans-94.2117.4-172-61.686.3000111.1N36 T37 F38 V121N36-H119 PolarHBondContact O-N 2.83Å; T37-H119 CarbonylContact C-O 3.55Å; T37-H119 WeakPolarHBondContact CA-O 3.38Å; T37-H119 HydrophobicContact CG2-CB 4.09Å; F38-H119 PolarHBondContact N-O 3.08Å; H119-V121 PolarHBondContact O-N 3.06Å
120Q90.6Very high71.3Confident93 Ų9372.4 Ų72.444%0.43538%0.383SS..EExtended strand (participates in β ladder)trans-70.2129.7177.576.3-17213.900111Y18 F38 N122Y18-Q120 HydrophobicContact CD1-CB 3.72Å; Y18-Q120 HydrophobicContact CD1-CG 4.09Å; Y18-Q120 VanDerWaalsContact CE1-OE1 3.26Å; Y18-Q120 HydrophobicContact CG-CB 4.07Å; F38-Q120 HydrophobicContact CE1-CB 3.9Å; F38-Q120 HydrophobicContact CE2-CB 4.4Å; F38-Q120 HydrophobicContact CZ-CB 3.76Å; Q120-N122 PolarHBondContact O-N 2.82Å
121V86.6Confident72.4Confident27 Ų2765.3 Ų65.316%0.16435%0.351CS..  trans-82.9106.1172.6179.90000108.2Y18 H20 A31 L32 F38 L39 H119 Y123Y18-V121 WeakPolarHBondContact CA-O 3.31Å; H20-V121 PolarHBondContact NE2-O 3.21Å; A31-V121 HydrophobicContact CB-CG1 4.49Å; L32-V121 HydrophobicContact CD2-CG2 3.8Å; F38-V121 PolarHBondContact O-N 3.13Å; L39-V121 HydrophobicContact CB-CB 4.22Å; L39-V121 HydrophobicContact CD2-CB 4.25Å; L39-V121 HydrophobicContact CD2-CG1 4.33Å; H119-V121 PolarHBondContact O-N 3.06Å; V121-Y123 PolarHBondContact O-N 3.3Å
122N79.4Confident73.4Confident50 Ų5065.2 Ų65.227%0.26734%0.339SS..  trans-78.6103-169-168.5-4000112.1P17 Q120 Q124 H125P17-N122 WeakPolarHBondContact CA-OD1 3.46Å; P17-N122 WeakPolarHBondContact CB-OD1 3.5Å; P17-N122 CarbonylContact O-C 3.53Å; P17-N122 WeakPolarHBondContact O-CA 3.38Å; P17-N122 PolarHBondContact O-OD1 3.21Å; Q120-N122 PolarHBondContact O-N 2.82Å; N122-Q124 VanDerWaalsContact C-N 3.27Å; N122-Q124 PolarHBondContact O-N 3.02Å; N122-Q124 WeakPolarHBondContact OD1-CA 3.36Å; N122-Q124 WeakPolarHBondContact OD1-CB 3.47Å; N122-Q124 PolarHBondContact OD1-N 3.36Å; N122-H125 WeakPolarHBondContact O-CB 3.47Å; N122-H125 PolarHBondContact O-N 2.89Å
123Y68.3Low74Confident59 Ų5961.6 Ų61.623%0.23132%0.317CS..THydrogen-bonded Turntrans-64-23.8165.9-169.1-99.4000113.6P17 F19 H20 V121 H125 F126 L127P17-Y123 WeakPolarHBondContact O-CA 3.2Å; P17-Y123 WeakPolarHBondContact O-CB 3.36Å; P17-Y123 PolarHBondContact O-N 3.44Å; F19-Y123 WeakPolarHBondContact O-CB 3.48Å; H20-Y123 HydrophobicContact CB-CD2 3.91Å; H20-Y123 HydrophobicContact CB-CE2 4.48Å; H20-Y123 HydrophobicContact CB-CG 4.42Å; H20-Y123 AromaticContact CE1-CD2 3.99Å; H20-Y123 AromaticContact CG-CD2 3.62Å; H20-Y123 AromaticContact ND1-CD2 3.47Å; H20-Y123 WeakPolarHBondContact ND1-CD2 3.33Å; V121-Y123 PolarHBondContact O-N 3.3Å; Y123-H125 PolarHBondContact O-N 3.02Å; Y123-F126 HydrophobicContact CD1-CB 4.34Å; Y123-F126 HydrophobicContact CD2-CB 4.15Å; Y123-F126 AromaticContact CD2-CD2 3.19Å; Y123-F126 HydrophobicContact CD2-CD2 3.19Å; Y123-F126 AromaticContact CD2-CE2 3.77Å; Y123-F126 HydrophobicContact CD2-CE2 3.77Å; Y123-F126 AromaticContact CD2-CG 3.9Å; Y123-F126 HydrophobicContact CD2-CG 3.9Å; Y123-F126 HydrophobicContact CE1-CB 4.02Å; Y123-F126 HydrophobicContact CE2-CB 3.84Å; Y123-F126 HydrophobicContact CE2-CD1 4.47Å; Y123-F126 AromaticContact CE2-CD2 3.42Å; Y123-F126 HydrophobicContact CE2-CD2 3.42Å; Y123-F126 VanDerWaalsContact CE2-CD2 3.42Å; Y123-F126 HydrophobicContact CE2-CE2 4.05Å; Y123-F126 AromaticContact CE2-CG 3.66Å; Y123-F126 HydrophobicContact CE2-CG 3.66Å; Y123-F126 HydrophobicContact CG-CB 4.39Å; Y123-F126 AromaticContact CG-CD2 3.87Å; Y123-F126 HydrophobicContact CG-CD2 3.87Å; Y123-F126 WeakPolarHBondContact O-CA 3.46Å; Y123-F126 VanDerWaalsContact O-CB 3.26Å; Y123-F126 WeakPolarHBondContact O-CB 3.41Å; Y123-F126 PolarHBondContact O-N 3.44Å; Y123-L127 PolarHBondContact O-N 3.12Å
124Q54.3Low74.1Confident80 Ų8060.6 Ų60.637%0.37431%0.31SS..Hα-helixtrans-62.5-11.3171.7-73.7167.11.400112A15 P17 N122 F126 L127 A128A15-Q124 PolarHBondContact O-NE2 3.05Å; P17-Q124 HydrophobicContact CB-CG 4.2Å; P17-Q124 PolarHBondContact O-N 3.27Å; N122-Q124 VanDerWaalsContact C-N 3.27Å; N122-Q124 PolarHBondContact O-N 3.02Å; N122-Q124 WeakPolarHBondContact OD1-CA 3.36Å; N122-Q124 WeakPolarHBondContact OD1-CB 3.47Å; N122-Q124 PolarHBondContact OD1-N 3.36Å; Q124-F126 PolarHBondContact O-N 2.69Å; Q124-L127 HydrophobicContact CG-CD1 4.35Å; Q124-L127 PolarHBondContact O-N 2.62Å; Q124-A128 WeakPolarHBondContact O-CB 3.39Å; Q124-A128 PolarHBondContact O-N 2.95Å
125H49.7Very low73.5Confident118 Ų11861.2 Ų61.255%0.54632%0.321SS..Hα-helixtrans-58-36.5160.7-86.5-70.3000112.3N122 Y123 Q129N122-H125 WeakPolarHBondContact O-CB 3.47Å; N122-H125 PolarHBondContact O-N 2.89Å; Y123-H125 PolarHBondContact O-N 3.02Å; H125-Q129 WeakPolarHBondContact O-CB 3.41Å; H125-Q129 WeakPolarHBondContact O-CG 3.29Å; H125-Q129 PolarHBondContact O-N 2.9Å
126F48.6Very low72.6Confident95 Ų9562.5 Ų62.542%0.41733%0.329SS..Hα-helixtrans-70.4-43.4174.3-66.2-84.9000112.6Y123 Q124 Q129 E130Y123-F126 HydrophobicContact CD1-CB 4.34Å; Y123-F126 HydrophobicContact CD2-CB 4.15Å; Y123-F126 AromaticContact CD2-CD2 3.19Å; Y123-F126 HydrophobicContact CD2-CD2 3.19Å; Y123-F126 AromaticContact CD2-CE2 3.77Å; Y123-F126 HydrophobicContact CD2-CE2 3.77Å; Y123-F126 AromaticContact CD2-CG 3.9Å; Y123-F126 HydrophobicContact CD2-CG 3.9Å; Y123-F126 HydrophobicContact CE1-CB 4.02Å; Y123-F126 HydrophobicContact CE2-CB 3.84Å; Y123-F126 HydrophobicContact CE2-CD1 4.47Å; Y123-F126 AromaticContact CE2-CD2 3.42Å; Y123-F126 HydrophobicContact CE2-CD2 3.42Å; Y123-F126 VanDerWaalsContact CE2-CD2 3.42Å; Y123-F126 HydrophobicContact CE2-CE2 4.05Å; Y123-F126 AromaticContact CE2-CG 3.66Å; Y123-F126 HydrophobicContact CE2-CG 3.66Å; Y123-F126 HydrophobicContact CG-CB 4.39Å; Y123-F126 AromaticContact CG-CD2 3.87Å; Y123-F126 HydrophobicContact CG-CD2 3.87Å; Y123-F126 WeakPolarHBondContact O-CA 3.46Å; Y123-F126 VanDerWaalsContact O-CB 3.26Å; Y123-F126 WeakPolarHBondContact O-CB 3.41Å; Y123-F126 PolarHBondContact O-N 3.44Å; Q124-F126 PolarHBondContact O-N 2.69Å; F126-Q129 CarbonylContact O-C 3.49Å; F126-Q129 WeakPolarHBondContact O-CB 3.46Å; F126-Q129 PolarHBondContact O-N 2.74Å; F126-E130 WeakPolarHBondContact O-CG 3.25Å; F126-E130 PolarHBondContact O-N 2.93Å
127L52.5Low71.2Confident71 Ų7168.4 Ų68.437%0.37235%0.347SS..Hα-helixtrans-66.9-38.7174.7-73.6169.4000112.1Y123 Q124 Q129 E130 L131Y123-L127 PolarHBondContact O-N 3.12Å; Q124-L127 HydrophobicContact CG-CD1 4.35Å; Q124-L127 PolarHBondContact O-N 2.62Å; L127-Q129 VanDerWaalsContact C-N 3.32Å; L127-E130 PolarHBondContact O-N 2.8Å; L127-L131 PolarHBondContact O-N 3.05Å; L127-L131 VanDerWaalsContact O-N 3.16Å
128A57.1Low70.2Confident55 Ų5569.4 Ų69.446%0.45536%0.36SS..Hα-helixtrans-65.3-36.9172.300000111.3Q124 L131 Q132Q124-A128 WeakPolarHBondContact O-CB 3.39Å; Q124-A128 PolarHBondContact O-N 2.95Å; A128-L131 CarbonylContact O-C 3.49Å; A128-L131 PolarHBondContact O-N 3.04Å; A128-Q132 WeakPolarHBondContact O-CG 3.35Å; A128-Q132 PolarHBondContact O-N 2.79Å
129Q60Low69.7Low86 Ų8670 Ų7040%0.40235%0.354SS..Hα-helixtrans-68.4-33.6172.7-80.6168.411.900112.7H125 F126 L127 L131 Q132H125-Q129 WeakPolarHBondContact O-CB 3.41Å; H125-Q129 WeakPolarHBondContact O-CG 3.29Å; H125-Q129 PolarHBondContact O-N 2.9Å; F126-Q129 CarbonylContact O-C 3.49Å; F126-Q129 WeakPolarHBondContact O-CB 3.46Å; F126-Q129 PolarHBondContact O-N 2.74Å; L127-Q129 VanDerWaalsContact C-N 3.32Å; Q129-L131 PolarHBondContact O-N 2.82Å; Q129-Q132 WeakPolarHBondContact O-CB 3.15Å; Q129-Q132 PolarHBondContact O-N 3.27Å
130E66.9Low69.1Low46 Ų4670.8 Ų70.822%0.21536%0.359CS..Hα-helixtrans-64.7-32.2172.5-76.5-178.8176.100111.5F126 L127 R238 P239F126-E130 WeakPolarHBondContact O-CG 3.25Å; F126-E130 PolarHBondContact O-N 2.93Å; L127-E130 PolarHBondContact O-N 2.8Å; E130-R238 WeakPolarHBondContact OE2-CD 3.21Å; E130-R238 WeakPolarHBondContact OE2-CG 3.19Å; E130-P239 HydrophobicContact CB-CG 4.36Å; E130-P239 WeakPolarHBondContact O-CG 3.29Å
131L76Confident68.5Low46 Ų4669.6 Ų69.624%0.24136%0.355CS..THydrogen-bonded Turntrans-93.25.3175.1-65.7176.8000114.1L127 A128 Q129 K222L127-L131 PolarHBondContact O-N 3.05Å; L127-L131 VanDerWaalsContact O-N 3.16Å; A128-L131 CarbonylContact O-C 3.49Å; A128-L131 PolarHBondContact O-N 3.04Å; Q129-L131 PolarHBondContact O-N 2.82Å; L131-K222 HydrophobicContact CD2-CG 4.39Å; L131-K222 WeakPolarHBondContact O-CD 3.26Å
132Q80.7Confident68.4Low66 Ų6668.9 Ų68.931%0.30835%0.35SS..BIsolated β-bridgetrans-73.2140.7169.1-81.9175.30.800109.9A128 Q129 D134 K222 L281A128-Q132 WeakPolarHBondContact O-CG 3.35Å; A128-Q132 PolarHBondContact O-N 2.79Å; Q129-Q132 WeakPolarHBondContact O-CB 3.15Å; Q129-Q132 PolarHBondContact O-N 3.27Å; Q132-D134 PolarHBondContact O-N 2.94Å; Q132-K222 WeakPolarHBondContact O-CE 3.45Å; Q132-K222 PolarHBondContact O-NZ 3.19Å; Q132-L281 CarbonylContact C-O 3.59Å; Q132-L281 VanDerWaalsContact CA-O 3.26Å; Q132-L281 WeakPolarHBondContact CA-O 3.37Å; Q132-L281 HydrophobicContact CB-CB 4.32Å; Q132-L281 HydrophobicContact CG-CB 4.35Å
133L83.3Confident68.6Low8 Ų867.8 Ų67.84%0.04235%0.346CS..PPolyproline II helixtrans-53.9132.9176.7-62.9175000111.2D218 E219 K222 Y276 L281 A283L133-D218 WeakPolarHBondContact CA-OD2 3.5Å; L133-E219 HydrophobicContact CD1-CG 3.99Å; L133-E219 HydrophobicContact CD2-CB 4.26Å; L133-E219 HydrophobicContact CD2-CG 3.73Å; L133-K222 HydrophobicContact CD2-CB 4.4Å; L133-K222 HydrophobicContact CD2-CD 3.97Å; L133-Y276 HydrophobicContact CD1-CD1 3.22Å; L133-Y276 HydrophobicContact CD1-CE1 3.48Å; L133-Y276 VanDerWaalsContact CD1-CE1 3.48Å; L133-Y276 HydrophobicContact CD1-CG 4.09Å; L133-L281 WeakPolarHBondContact CG-O 3.37Å; L133-L281 PolarHBondContact N-O 3.38Å; L133-A283 HydrophobicContact CD2-CB 3.85Å; L133-A283 HydrophobicContact CG-CB 4.43Å
134D78.8Confident69.7Low21 Ų2165 Ų6511%0.11234%0.335CS..PPolyproline II helixtrans-74.7126.5177.8-82.634.6000108.1Q132 S136 Y142 S143 D218 K222Q132-D134 PolarHBondContact O-N 2.94Å; D134-S136 VanDerWaalsContact C-N 3.28Å; D134-S136 PolarHBondContact O-N 2.95Å; D134-S136 PolarHBondContact O-OG 2.87Å; D134-Y142 HydrophobicContact CB-CD1 4.46Å; D134-S143 WeakPolarHBondContact OD2-CA 3.45Å; D134-S143 WeakPolarHBondContact OD2-CB 3.48Å; D134-S143 PolarHBondContact OD2-N 3.5Å; D134-S143 PolarHBondContact OD2-OG 2.98Å; D134-D218 PolarHBondContact N-OD2 3Å; D134-K222 VanDerWaalsContact N-NZ 3.14Å; D134-K222 IonicContact OD1-NZ 3.06Å; D134-K222 PolarHBondContact OD1-NZ 2.74Å
135P68.1Low71.3Confident119 Ų11962.2 Ų62.277%0.77332%0.322SS*.  trans-70.588.217729.9-33.9000108.8
136S67.6Low73.1Confident27 Ų2757.3 Ų57.319%0.18930%0.3CS..  trans-137.4145.2-165.246.80000110.9D134 Y142D134-S136 VanDerWaalsContact C-N 3.28Å; D134-S136 PolarHBondContact O-N 2.95Å; D134-S136 PolarHBondContact O-OG 2.87Å; S136-Y142 WeakPolarHBondContact OG-CD1 3.47Å; S136-Y142 WeakPolarHBondContact OG-CE1 3.47Å
137W61.4Low74.8Confident188 Ų18854 Ų5471%0.71229%0.292SS*.SBendtrans-95.6-21.4178.5-63.498.4000111.9D141 V271W137-D141 PolarHBondContact N-OD2 3.44Å; W137-V271 HydrophobicContact CH2-CB 4.2Å; W137-V271 HydrophobicContact CH2-CG1 3.74Å; W137-V271 HydrophobicContact CH2-CG2 3.6Å; W137-V271 HydrophobicContact CZ2-CG2 3.97Å; W137-V271 HydrophobicContact CZ3-CG1 4.34Å
138G69.3Low76.3Confident30 Ų3054.1 Ų54.131%0.30930%0.296SS..SBendtrans-158.9175.2173.800000112.5Q140 D141G138-Q140 PolarHBondContact O-N 3.26Å; G138-D141 PolarHBondContact N-OD2 2.74Å; G138-D141 WeakPolarHBondContact O-CB 3.3Å; G138-D141 PolarHBondContact O-N 2.82Å
139L75.8Confident77.7Confident46 Ų4652.2 Ų52.224%0.24128%0.277CS..G310 helixtrans-50.5-33.7-178.1179.972.4000114.7D141 Y142 M145 I166 P176 L217L139-D141 PolarHBondContact O-N 2.81Å; L139-Y142 HydrophobicContact CD1-CD2 3.78Å; L139-Y142 HydrophobicContact CD1-CE2 3.63Å; L139-Y142 PolarHBondContact O-N 2.85Å; L139-M145 HydrophobicContact CD2-CE 4.3Å; L139-M145 HydrophobicContact CG-CE 4.46Å; L139-M145 WeakPolarHBondContact O-CB 3.3Å; L139-M145 WeakPolarHBondContact O-CG 3.29Å; L139-I166 HydrophobicContact CD1-CD1 3.83Å; L139-I166 HydrophobicContact CD1-CG2 4.23Å; L139-P176 HydrophobicContact CD1-CB 4.43Å; L139-P176 HydrophobicContact CD2-CB 3.51Å; L139-P176 HydrophobicContact CD2-CG 3.68Å; L139-L217 HydrophobicContact CD1-CD2 3.96Å
140Q75.6Confident79Confident156 Ų15650.9 Ų50.973%0.72928%0.278SS*.G310 helixtrans-70.8-19.4-178.6-61.9-177.41800113G138 R260G138-Q140 PolarHBondContact O-N 3.26Å; Q140-R260 PolarHBondContact O-NH2 3.11Å
141D77.8Confident80Confident67 Ų6751.4 Ų51.436%0.35828%0.282SS..G310 helixtrans-86.7-16.7-178-59.1-36000112W137 G138 L139 S143 R260W137-D141 PolarHBondContact N-OD2 3.44Å; G138-D141 PolarHBondContact N-OD2 2.74Å; G138-D141 WeakPolarHBondContact O-CB 3.3Å; G138-D141 PolarHBondContact O-N 2.82Å; L139-D141 PolarHBondContact O-N 2.81Å; D141-S143 PolarHBondContact O-N 2.93Å; D141-R260 PolarHBondContact O-NH1 2.97Å
142Y84.8Confident80.6Confident12 Ų1255.3 Ų55.35%0.04730%0.299CS..  trans-57.7130.2178.1-59.5-10.3000109.9D134 S136 L139 Y144 M145 I166 L217 D218D134-Y142 HydrophobicContact CB-CD1 4.46Å; S136-Y142 WeakPolarHBondContact OG-CD1 3.47Å; S136-Y142 WeakPolarHBondContact OG-CE1 3.47Å; L139-Y142 HydrophobicContact CD1-CD2 3.78Å; L139-Y142 HydrophobicContact CD1-CE2 3.63Å; L139-Y142 PolarHBondContact O-N 2.85Å; Y142-Y144 HydrophobicContact CD2-CE2 4.3Å; Y142-Y144 AromaticContact CD2-CZ 3.99Å; Y142-Y144 HydrophobicContact CG-CE1 4.5Å; Y142-Y144 PolarHBondContact O-N 3.01Å; Y142-Y144 VanDerWaalsContact O-N 3.12Å; Y142-M145 WeakPolarHBondContact O-CB 3.24Å; Y142-M145 PolarHBondContact O-N 2.98Å; Y142-I166 HydrophobicContact CD2-CD1 4.02Å; Y142-I166 HydrophobicContact CE2-CD1 4.42Å; Y142-L217 HydrophobicContact CE2-CB 4.22Å; Y142-D218 HydrophobicContact CD1-CB 4.41Å; Y142-D218 HydrophobicContact CE1-CB 3.86Å; Y142-D218 HydrophobicContact CE2-CB 3.98Å; Y142-D218 PolarHBondContact OH-N 3.21Å
143S85.3Confident81.1Confident28 Ų2856.5 Ų56.520%0.19630%0.303CS..THydrogen-bonded Turntrans-60.1-22.6-179.158.40000112.8D134 D141 K241 H242D134-S143 WeakPolarHBondContact OD2-CA 3.45Å; D134-S143 WeakPolarHBondContact OD2-CB 3.48Å; D134-S143 PolarHBondContact OD2-N 3.5Å; D134-S143 PolarHBondContact OD2-OG 2.98Å; D141-S143 PolarHBondContact O-N 2.93Å; S143-K241 CarbonylContact O-C 3.56Å; S143-K241 VanDerWaalsContact O-CA 3.31Å; S143-K241 WeakPolarHBondContact O-CA 3.47Å; S143-H242 PolarHBondContact O-N 3.39Å
144Y89.7Confident81.5Confident0 Ų056.2 Ų56.20%030%0.302CS..THydrogen-bonded Turntrans-105.918.1177.959-87.3000113.3Y142 H146 Y164 I166 D218 I221 P239 I240Y142-Y144 HydrophobicContact CD2-CE2 4.3Å; Y142-Y144 AromaticContact CD2-CZ 3.99Å; Y142-Y144 HydrophobicContact CG-CE1 4.5Å; Y142-Y144 PolarHBondContact O-N 3.01Å; Y142-Y144 VanDerWaalsContact O-N 3.12Å; Y144-H146 PolarHBondContact O-CD2 3.19Å; Y144-Y164 HydrophobicContact CD2-CD2 4.3Å; Y144-Y164 HydrophobicContact CD2-CE2 4.05Å; Y144-Y164 HydrophobicContact CE2-CD2 4.39Å; Y144-Y164 AromaticContact CE2-CE2 3.91Å; Y144-Y164 HydrophobicContact CE2-CE2 3.91Å; Y144-I166 HydrophobicContact CD2-CD1 4.21Å; Y144-I166 HydrophobicContact CD2-CG1 3.98Å; Y144-I166 HydrophobicContact CE2-CD1 3.58Å; Y144-I166 HydrophobicContact CE2-CG1 3.8Å; Y144-I166 PolarHBondContact O-N 3.22Å; Y144-D218 VanDerWaalsContact CE1-OD1 3.3Å; Y144-D218 WeakPolarHBondContact CE1-OD1 3.5Å; Y144-D218 VanDerWaalsContact CZ-OD1 3.3Å; Y144-D218 PolarHBondContact OH-OD1 3.11Å; Y144-I221 HydrophobicContact CE2-CD1 4.38Å; Y144-P239 HydrophobicContact CD1-CB 3.71Å; Y144-P239 HydrophobicContact CD2-CB 4.44Å; Y144-P239 HydrophobicContact CE1-CB 4.36Å; Y144-P239 HydrophobicContact CG-CB 3.77Å; Y144-I240 WeakPolarHBondContact CA-O 3.29Å; Y144-I240 VanDerWaalsContact CB-O 3.28Å; Y144-I240 WeakPolarHBondContact CB-O 3.24Å
145M87.6Confident82Confident21 Ų2157.4 Ų57.410%0.10331%0.308CS..BIsolated β-bridgetrans-89.5111.6167.1176.854.7166.100110.3L139 Y142 I166 L168L139-M145 HydrophobicContact CD2-CE 4.3Å; L139-M145 HydrophobicContact CG-CE 4.46Å; L139-M145 WeakPolarHBondContact O-CB 3.3Å; L139-M145 WeakPolarHBondContact O-CG 3.29Å; Y142-M145 WeakPolarHBondContact O-CB 3.24Å; Y142-M145 PolarHBondContact O-N 2.98Å; M145-I166 HydrophobicContact CE-CG2 4.49Å; M145-I166 HydrophobicContact SD-CB 3.9Å; M145-I166 HydrophobicContact SD-CG2 3.5Å; M145-I166 WeakPolarHBondContact SD-CG2 3.37Å; M145-L168 HydrophobicContact CE-CD1 4.03Å; M145-L168 HydrophobicContact CE-CD2 3.62Å; M145-L168 HydrophobicContact CE-CG 3.52Å
146H88.4Confident83.1Confident16 Ų1656.8 Ų56.87%0.07430%0.302CS..  trans-96.63.9-173.8-73.4-106.9000114.4Y144 I149 I166 I240 H242Y144-H146 PolarHBondContact O-CD2 3.19Å; H146-I149 HydrophobicContact CB-CD1 3.76Å; H146-I149 HydrophobicContact CB-CG1 4.18Å; H146-I149 HydrophobicContact CB-CG2 3.94Å; H146-I166 PolarHBondContact N-O 2.81Å; H146-I240 PolarHBondContact NE2-O 3.35Å; H146-H242 VanDerWaalsContact CE1-CA 3.49Å; H146-H242 WeakPolarHBondContact CE1-CA 3.46Å; H146-H242 AromaticContact ND1-CD2 3.72Å
147G83.4Confident84.3Confident24 Ų2457.7 Ų57.725%0.24730%0.304CS..  trans67.2-136.4-175.400000111.1S167 L168G147-S167 CarbonylContact O-C 3.46Å; G147-S167 VanDerWaalsContact O-CA 3.24Å; G147-S167 WeakPolarHBondContact O-CA 3.44Å; G147-S167 WeakPolarHBondContact O-CB 3.19Å; G147-S167 PolarHBondContact O-OG 3.36Å; G147-L168 PolarHBondContact O-N 2.83Å
148V84.6Confident85.7Confident75 Ų7548.8 Ų48.846%0.45527%0.271SS..SBendtrans-95.3113.3174.5-179.10000108.8L168 P170V148-L168 HydrophobicContact CG2-CB 3.83Å; V148-L168 HydrophobicContact CG2-CD1 4.43Å; V148-P170 HydrophobicContact CG1-CB 4.23Å; V148-P170 HydrophobicContact CG1-CG 4.18Å
149I87.1Confident86.6Confident14 Ų1454 Ų547%0.07229%0.287CS..  trans-121.1154.3174.453.1168.7000111.6H146 K153 I154 L157 L165 S167H146-I149 HydrophobicContact CB-CD1 3.76Å; H146-I149 HydrophobicContact CB-CG1 4.18Å; H146-I149 HydrophobicContact CB-CG2 3.94Å; I149-K153 HydrophobicContact CB-CD 4.21Å; I149-K153 HydrophobicContact CG2-CD 3.97Å; I149-I154 HydrophobicContact CD1-CD1 4.27Å; I149-I154 HydrophobicContact CD1-CG1 3.41Å; I149-I154 VanDerWaalsContact CD1-CG1 3.41Å; I149-I154 HydrophobicContact CG1-CD1 4.12Å; I149-I154 HydrophobicContact CG1-CG1 3.73Å; I149-L157 HydrophobicContact CD1-CD1 4.17Å; I149-L165 HydrophobicContact CD1-CD1 3.88Å; I149-L165 HydrophobicContact CD1-CD2 3.94Å; I149-S167 WeakPolarHBondContact CG1-OG 3.29Å; I149-S167 PolarHBondContact N-OG 3.02Å
150S87Confident87.1Confident59 Ų5955.5 Ų55.541%0.41329%0.291SS..  trans-75.6158.1178.384.90000111.4E152 K153 I154S150-E152 VanDerWaalsContact C-N 3.25Å; S150-E152 WeakPolarHBondContact CB-OE2 3.4Å; S150-E152 PolarHBondContact O-N 3.37Å; S150-E152 PolarHBondContact OG-OE2 3.19Å; S150-K153 PolarHBondContact O-N 2.6Å; S150-K153 VanDerWaalsContact O-N 3.13Å; S150-K153 PolarHBondContact OG-N 2.73Å; S150-I154 WeakPolarHBondContact O-CG1 3.47Å; S150-I154 PolarHBondContact O-N 2.98Å
151N87.2Confident87.8Confident56 Ų5650 Ų5030%0.29927%0.267SS..Hα-helixtrans-63.6-33.6179.9-61.8-28.5000112K153 I154 N155 M664N151-K153 VanDerWaalsContact C-N 3.32Å; N151-K153 PolarHBondContact O-N 2.99Å; N151-I154 PolarHBondContact O-N 3.04Å; N151-N155 WeakPolarHBondContact O-CB 3.5Å; N151-N155 PolarHBondContact O-N 3.5Å; N151-M664 HydrophobicContact CB-SD 4.05Å; N151-M664 VanDerWaalsContact CG-CE 3.47Å; N151-M664 WeakPolarHBondContact ND2-CE 3.38Å; N151-M664 PolarHBondContact ND2-SD 3.03Å; N151-M664 WeakPolarHBondContact OD1-CE 3.45Å
152E89.9Confident88.4Confident128 Ų12846.8 Ų46.860%0.59825%0.25SS*.Hα-helixtrans-62.6-42.8175.7-56.173.1-155.600110.2S150 N155 V156S150-E152 VanDerWaalsContact C-N 3.25Å; S150-E152 WeakPolarHBondContact CB-OE2 3.4Å; S150-E152 PolarHBondContact O-N 3.37Å; S150-E152 PolarHBondContact OG-OE2 3.19Å; E152-N155 PolarHBondContact O-N 2.97Å; E152-V156 WeakPolarHBondContact O-CG2 3.16Å; E152-V156 PolarHBondContact O-N 3.21Å; E152-V156 VanDerWaalsContact O-N 3.08Å
153K90.6Very high88.7Confident91 Ų9146.4 Ų46.440%0.39625%0.249SC..Hα-helixtrans-66.4-39.8176.5-170.3173.7179.8-172.90111.6I149 S150 N151 N155 V156 L157I149-K153 HydrophobicContact CB-CD 4.21Å; I149-K153 HydrophobicContact CG2-CD 3.97Å; S150-K153 PolarHBondContact O-N 2.6Å; S150-K153 VanDerWaalsContact O-N 3.13Å; S150-K153 PolarHBondContact OG-N 2.73Å; N151-K153 VanDerWaalsContact C-N 3.32Å; N151-K153 PolarHBondContact O-N 2.99Å; K153-N155 VanDerWaalsContact C-N 3.34Å; K153-N155 PolarHBondContact O-N 2.91Å; K153-V156 PolarHBondContact O-N 2.8Å; K153-L157 HydrophobicContact CD-CD1 4.49Å; K153-L157 HydrophobicContact CG-CD1 3.91Å; K153-L157 HydrophobicContact CG-CG 4.23Å; K153-L157 WeakPolarHBondContact O-CB 3.42Å; K153-L157 VanDerWaalsContact O-CG 3.25Å; K153-L157 WeakPolarHBondContact O-CG 3.26Å; K153-L157 PolarHBondContact O-N 2.74Å
154I91.4Very high89.1Confident3 Ų345 Ų452%0.01524%0.239CC..Hα-helixtrans-59.5-46.5174.5-65.7168.5000110.5I149 S150 N151 V156 L157 L158 Y179 I186I149-I154 HydrophobicContact CD1-CD1 4.27Å; I149-I154 HydrophobicContact CD1-CG1 3.41Å; I149-I154 VanDerWaalsContact CD1-CG1 3.41Å; I149-I154 HydrophobicContact CG1-CD1 4.12Å; I149-I154 HydrophobicContact CG1-CG1 3.73Å; S150-I154 WeakPolarHBondContact O-CG1 3.47Å; S150-I154 PolarHBondContact O-N 2.98Å; N151-I154 PolarHBondContact O-N 3.04Å; I154-V156 VanDerWaalsContact C-N 3.28Å; I154-V156 PolarHBondContact O-N 2.79Å; I154-L157 PolarHBondContact O-N 2.78Å; I154-L158 HydrophobicContact CG2-CD1 3.67Å; I154-L158 HydrophobicContact CG2-CG 4.21Å; I154-L158 WeakPolarHBondContact O-CB 3.21Å; I154-L158 WeakPolarHBondContact O-CG 3.03Å; I154-L158 PolarHBondContact O-N 3.23Å; I154-Y179 HydrophobicContact CD1-CD1 3.75Å; I154-Y179 HydrophobicContact CD1-CD2 4.19Å; I154-Y179 HydrophobicContact CD1-CE1 3.66Å; I154-Y179 HydrophobicContact CD1-CE2 4.14Å; I154-Y179 HydrophobicContact CD1-CG 4Å; I154-Y179 HydrophobicContact CG2-CD1 4.06Å; I154-Y179 HydrophobicContact CG2-CG 4.15Å; I154-I186 HydrophobicContact CG2-CG1 4.47Å; I154-I186 HydrophobicContact CG2-CG2 4.01Å
155N90.5Very high89.3Confident46 Ų4645 Ų4525%0.24624%0.239CC..Hα-helixtrans-61.9-33.8178.9-90.7-39.8000113.5N151 E152 K153 R181 I186N151-N155 WeakPolarHBondContact O-CB 3.5Å; N151-N155 PolarHBondContact O-N 3.5Å; E152-N155 PolarHBondContact O-N 2.97Å; K153-N155 VanDerWaalsContact C-N 3.34Å; K153-N155 PolarHBondContact O-N 2.91Å; N155-R181 PolarHBondContact O-NH1 3.18Å; N155-R181 PolarHBondContact OD1-NH2 3.07Å; N155-I186 VanDerWaalsContact OD1-CG1 3.24Å; N155-I186 WeakPolarHBondContact OD1-CG1 3.44Å
156V90.8Very high89.4Confident106 Ų10644.1 Ų44.164%0.64224%0.235SC*.Hα-helixtrans-76.5-37.8176.4171.80000111.6E152 K153 I154E152-V156 WeakPolarHBondContact O-CG2 3.16Å; E152-V156 PolarHBondContact O-N 3.21Å; E152-V156 VanDerWaalsContact O-N 3.08Å; K153-V156 PolarHBondContact O-N 2.8Å; I154-V156 VanDerWaalsContact C-N 3.28Å; I154-V156 PolarHBondContact O-N 2.79Å
157L91.6Very high89.4Confident46 Ų4643.3 Ų43.324%0.24123%0.231CC..Hα-helixtrans-76.4-37.5-176.5-74.4176.2000113.5I149 K153 I154 E159 L165 I240I149-L157 HydrophobicContact CD1-CD1 4.17Å; K153-L157 HydrophobicContact CD-CD1 4.49Å; K153-L157 HydrophobicContact CG-CD1 3.91Å; K153-L157 HydrophobicContact CG-CG 4.23Å; K153-L157 WeakPolarHBondContact O-CB 3.42Å; K153-L157 VanDerWaalsContact O-CG 3.25Å; K153-L157 WeakPolarHBondContact O-CG 3.26Å; K153-L157 PolarHBondContact O-N 2.74Å; I154-L157 PolarHBondContact O-N 2.78Å; L157-E159 PolarHBondContact O-N 3.46Å; L157-L165 HydrophobicContact CB-CD2 4.07Å; L157-L165 HydrophobicContact CD1-CD2 3.92Å; L157-I240 HydrophobicContact CB-CG2 4.21Å; L157-I240 HydrophobicContact CD2-CG2 4.38Å
158L92.5Very high89.4Confident0 Ų043.9 Ų43.90%023%0.228CC..  trans-89.791.2-179.9-58.3-176.6000108.3I154 D163 L165 R181 I186 I240I154-L158 HydrophobicContact CG2-CD1 3.67Å; I154-L158 HydrophobicContact CG2-CG 4.21Å; I154-L158 WeakPolarHBondContact O-CB 3.21Å; I154-L158 WeakPolarHBondContact O-CG 3.03Å; I154-L158 PolarHBondContact O-N 3.23Å; L158-D163 HydrophobicContact CB-CB 4.39Å; L158-D163 HydrophobicContact CD2-CB 4.04Å; L158-L165 HydrophobicContact CD1-CG 4.42Å; L158-L165 HydrophobicContact CD2-CB 4.31Å; L158-L165 HydrophobicContact CD2-CD2 3.83Å; L158-L165 HydrophobicContact CD2-CG 3.91Å; L158-L165 HydrophobicContact CG-CD2 4.09Å; L158-L165 HydrophobicContact CG-CG 4.36Å; L158-R181 HydrophobicContact CB-CB 3.83Å; L158-R181 VanDerWaalsContact O-CD 3.28Å; L158-R181 WeakPolarHBondContact O-CD 3.37Å; L158-R181 PolarHBondContact O-NH1 3.3Å; L158-I186 HydrophobicContact CB-CD1 3.97Å; L158-I186 HydrophobicContact CD1-CD1 3.86Å; L158-I186 HydrophobicContact CD1-CG2 4.38Å; L158-I240 HydrophobicContact CD2-CB 4.33Å; L158-I240 HydrophobicContact CD2-CG1 3.73Å
159E86.4Confident88.8Confident139 Ų13941.6 Ų41.665%0.6521%0.213SC*.  trans-88.2-36.3-172.5-66.2180171.800112.7L157 D163L157-E159 PolarHBondContact O-N 3.46Å; E159-D163 PolarHBondContact N-OD2 3.47Å
160K86.3Confident87.8Confident78 Ų7844.5 Ų44.534%0.33923%0.232SC..SBendtrans-120.2155-169-58.8-176.2-178-1770112.1G162 D163 R181 A484K160-G162 PolarHBondContact O-N 3.24Å; K160-D163 WeakPolarHBondContact CB-OD2 3.08Å; K160-D163 PolarHBondContact N-OD2 3.44Å; K160-D163 WeakPolarHBondContact O-CB 3.46Å; K160-D163 VanDerWaalsContact O-CG 3.3Å; K160-D163 PolarHBondContact O-N 2.82Å; K160-R181 WeakPolarHBondContact O-CB 3.33Å; K160-A484 VanDerWaalsContact CE-O 3.28Å; K160-A484 WeakPolarHBondContact CE-O 3.39Å; K160-A484 PolarHBondContact NZ-O 2.79Å; K160-A484 VanDerWaalsContact NZ-O 3.09Å
161D90.4Very high86.8Confident41 Ų4151.4 Ų51.422%0.21926%0.255CS..THydrogen-bonded Turntrans-60.1125.2175.3-78-15.4000111.9R181 W182 N183 V509D161-R181 CarbonylContact C-O 3.56Å; D161-R181 WeakPolarHBondContact CA-O 3.34Å; D161-W182 HydrophobicContact CB-CE3 4.47Å; D161-W182 VanDerWaalsContact OD1-CA 3.29Å; D161-W182 WeakPolarHBondContact OD1-CA 3.48Å; D161-N183 VanDerWaalsContact CG-N 3.35Å; D161-N183 PolarHBondContact OD1-N 3.34Å; D161-N183 PolarHBondContact OD2-N 2.89Å; D161-V509 HydrophobicContact CB-CB 4.11Å; D161-V509 HydrophobicContact CB-CG2 3.84Å; D161-V509 WeakPolarHBondContact OD2-CB 3.36Å; D161-V509 VanDerWaalsContact OD2-CG1 3.3Å; D161-V509 WeakPolarHBondContact OD2-CG1 3.49Å
162G90.3Very high85.6Confident0 Ų056.1 Ų56.10%027%0.269CS..THydrogen-bonded Turntrans85.72.3-17500000114.6K160 Y164 R181 M235 K237 R238K160-G162 PolarHBondContact O-N 3.24Å; G162-Y164 WeakPolarHBondContact O-CD1 3.2Å; G162-R181 PolarHBondContact N-O 3.44Å; G162-M235 WeakPolarHBondContact CA-O 3.48Å; G162-K237 PolarHBondContact O-N 3.22Å; G162-R238 PolarHBondContact O-N 2.76Å; G162-R238 VanDerWaalsContact O-N 3.09Å
163D91.8Very high84.2Confident3 Ų359.1 Ų59.12%0.01627%0.274CS..EExtended strand (participates in β ladder)trans-66.3133.7162.9-72.6-12.5000109.1L158 E159 K160 V180 R181 R238 I240L158-D163 HydrophobicContact CB-CB 4.39Å; L158-D163 HydrophobicContact CD2-CB 4.04Å; E159-D163 PolarHBondContact N-OD2 3.47Å; K160-D163 WeakPolarHBondContact CB-OD2 3.08Å; K160-D163 PolarHBondContact N-OD2 3.44Å; K160-D163 WeakPolarHBondContact O-CB 3.46Å; K160-D163 VanDerWaalsContact O-CG 3.3Å; K160-D163 PolarHBondContact O-N 2.82Å; D163-V180 CarbonylContact O-C 3.57Å; D163-V180 VanDerWaalsContact O-CA 3.29Å; D163-V180 WeakPolarHBondContact O-CA 3.08Å; D163-R181 PolarHBondContact O-N 3.42Å; D163-R238 CarbonylContact C-O 3.58Å; D163-R238 WeakPolarHBondContact CA-O 2.98Å; D163-R238 IonicContact OD1-CZ 3.89Å; D163-R238 VanDerWaalsContact OD1-CZ 3.27Å; D163-R238 IonicContact OD1-NE 3.29Å; D163-R238 PolarHBondContact OD1-NE 3.16Å; D163-R238 IonicContact OD1-NH2 3.85Å; D163-R238 PolarHBondContact OD1-NH2 3Å; D163-R238 IonicContact OD2-CZ 3.58Å; D163-R238 IonicContact OD2-NE 3.26Å; D163-R238 IonicContact OD2-NH2 3.42Å; D163-R238 PolarHBondContact OD2-NH2 3.23Å; D163-I240 HydrophobicContact CB-CD1 4.04Å; D163-I240 HydrophobicContact CB-CG1 3.98Å
164Y93.5Very high83Confident0 Ų066.1 Ų66.10%030%0.298CS..EExtended strand (participates in β ladder)trans-139.4154.2179.966.1-90.1000113.3Y144 G162 M178 Y179 I221 F236 R238 P239 I240Y144-Y164 HydrophobicContact CD2-CD2 4.3Å; Y144-Y164 HydrophobicContact CD2-CE2 4.05Å; Y144-Y164 HydrophobicContact CE2-CD2 4.39Å; Y144-Y164 AromaticContact CE2-CE2 3.91Å; Y144-Y164 HydrophobicContact CE2-CE2 3.91Å; G162-Y164 WeakPolarHBondContact O-CD1 3.2Å; Y164-M178 HydrophobicContact CD2-SD 4.42Å; Y164-Y179 CarbonylContact C-O 3.59Å; Y164-Y179 WeakPolarHBondContact CA-O 3.5Å; Y164-Y179 WeakPolarHBondContact CB-O 3.35Å; Y164-I221 HydrophobicContact CD2-CG2 4.06Å; Y164-I221 HydrophobicContact CE1-CG2 4.15Å; Y164-I221 HydrophobicContact CE2-CG2 3.45Å; Y164-I221 VanDerWaalsContact CE2-CG2 3.45Å; Y164-I221 VanDerWaalsContact CZ-CG2 3.49Å; Y164-F236 HydrophobicContact CD1-CB 3.9Å; Y164-F236 AromaticContact CD1-CD1 3.83Å; Y164-F236 HydrophobicContact CD1-CD1 3.83Å; Y164-F236 HydrophobicContact CD1-CG 4.34Å; Y164-F236 HydrophobicContact CE1-CB 3.83Å; Y164-F236 HydrophobicContact CE1-CD1 4.43Å; Y164-F236 AromaticContact CG-CD1 3.89Å; Y164-F236 HydrophobicContact CG-CD1 3.89Å; Y164-R238 WeakPolarHBondContact CD1-O 3.44Å; Y164-R238 WeakPolarHBondContact CE1-O 3.34Å; Y164-R238 PolarHBondContact N-O 3.02Å; Y164-P239 HydrophobicContact CD2-CB 4.4Å; Y164-P239 HydrophobicContact CE1-CB 4.3Å; Y164-P239 HydrophobicContact CE2-CB 3.63Å; Y164-P239 CarbonylContact O-C 3.57Å; Y164-P239 WeakPolarHBondContact O-CA 3.34Å; Y164-P239 WeakPolarHBondContact OH-CD 3.11Å; Y164-I240 PolarHBondContact O-N 2.69Å
165L93.6Very high81.9Confident0 Ų068.8 Ų68.80%031%0.312CS..EExtended strand (participates in β ladder)trans-144.7164.4169.963.479.3000110.1I149 L157 L158 M178 Y179 I240I149-L165 HydrophobicContact CD1-CD1 3.88Å; I149-L165 HydrophobicContact CD1-CD2 3.94Å; L157-L165 HydrophobicContact CB-CD2 4.07Å; L157-L165 HydrophobicContact CD1-CD2 3.92Å; L158-L165 HydrophobicContact CD1-CG 4.42Å; L158-L165 HydrophobicContact CD2-CB 4.31Å; L158-L165 HydrophobicContact CD2-CD2 3.83Å; L158-L165 HydrophobicContact CD2-CG 3.91Å; L158-L165 HydrophobicContact CG-CD2 4.09Å; L158-L165 HydrophobicContact CG-CG 4.36Å; L165-M178 WeakPolarHBondContact O-CA 3.37Å; L165-Y179 HydrophobicContact CD1-CD2 3.98Å; L165-Y179 HydrophobicContact CD1-CG 4.37Å; L165-Y179 PolarHBondContact N-O 3.4Å; L165-Y179 PolarHBondContact O-N 3.45Å; L165-I240 HydrophobicContact CB-CB 4.47Å
166I91.2Very high81.2Confident1 Ų168.4 Ų68.41%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-107133.1169.8-57.7179.3000108.9L139 Y142 Y144 M145 H146 P176 C177 L217 I221L139-I166 HydrophobicContact CD1-CD1 3.83Å; L139-I166 HydrophobicContact CD1-CG2 4.23Å; Y142-I166 HydrophobicContact CD2-CD1 4.02Å; Y142-I166 HydrophobicContact CE2-CD1 4.42Å; Y144-I166 HydrophobicContact CD2-CD1 4.21Å; Y144-I166 HydrophobicContact CD2-CG1 3.98Å; Y144-I166 HydrophobicContact CE2-CD1 3.58Å; Y144-I166 HydrophobicContact CE2-CG1 3.8Å; Y144-I166 PolarHBondContact O-N 3.22Å; M145-I166 HydrophobicContact CE-CG2 4.49Å; M145-I166 HydrophobicContact SD-CB 3.9Å; M145-I166 HydrophobicContact SD-CG2 3.5Å; M145-I166 WeakPolarHBondContact SD-CG2 3.37Å; H146-I166 PolarHBondContact N-O 2.81Å; I166-P176 HydrophobicContact CG2-CB 3.86Å; I166-C177 WeakPolarHBondContact CA-O 3.38Å; I166-L217 HydrophobicContact CD1-CD2 3.85Å; I166-I221 HydrophobicContact CD1-CD1 4.13Å
167S88.3Confident81Confident0 Ų063.4 Ų63.40%028%0.281CS..EExtended strand (participates in β ladder)trans-136.8156172.6171.40000109.9G147 I149 C177G147-S167 CarbonylContact O-C 3.46Å; G147-S167 VanDerWaalsContact O-CA 3.24Å; G147-S167 WeakPolarHBondContact O-CA 3.44Å; G147-S167 WeakPolarHBondContact O-CB 3.19Å; G147-S167 PolarHBondContact O-OG 3.36Å; I149-S167 WeakPolarHBondContact CG1-OG 3.29Å; I149-S167 PolarHBondContact N-OG 3.02Å; S167-C177 PolarHBondContact N-O 2.86Å; S167-C177 PolarHBondContact O-N 3.28Å; S167-C177 VanDerWaalsContact O-O 3.05Å
168L81.9Confident80.9Confident36 Ų3661.4 Ų61.419%0.18827%0.271CS..EExtended strand (participates in β ladder)trans-86.2136.6172.9-62.7172.9000109.2M145 G147 V148M145-L168 HydrophobicContact CE-CD1 4.03Å; M145-L168 HydrophobicContact CE-CD2 3.62Å; M145-L168 HydrophobicContact CE-CG 3.52Å; G147-L168 PolarHBondContact O-N 2.83Å; V148-L168 HydrophobicContact CG2-CB 3.83Å; V148-L168 HydrophobicContact CG2-CD1 4.43Å
169E73.3Confident81Confident27 Ų2762 Ų6213%0.12627%0.274CS..EExtended strand (participates in β ladder)trans-60131173.2-81-178.4-163.900110.8K171 R172 R173 I175 C177 R190E169-K171 PolarHBondContact O-N 2.61Å; E169-R172 HydrophobicContact CB-CB 4.11Å; E169-R172 CarbonylContact O-C 3.21Å; E169-R172 PolarHBondContact O-N 3.49Å; E169-R172 VanDerWaalsContact O-N 3.11Å; E169-R173 PolarHBondContact O-N 3.13Å; E169-I175 PolarHBondContact N-O 3.08Å; E169-C177 PolarHBondContact OE1-SG 3.16Å; E169-R190 IonicContact OE1-CZ 2.72Å; E169-R190 VanDerWaalsContact OE1-CZ 3.29Å; E169-R190 IonicContact OE1-NE 3.55Å; E169-R190 PolarHBondContact OE1-NE 3.16Å; E169-R190 IonicContact OE1-NH2 3.34Å; E169-R190 PolarHBondContact OE1-NH2 2.77Å
170P65.3Low81.4Confident75 Ų7555.4 Ų55.449%0.48724%0.243SC..THydrogen-bonded Turntrans-56.8-36.9-179.8-25.532.4000113.3V148V148-P170 HydrophobicContact CG1-CB 4.23Å; V148-P170 HydrophobicContact CG1-CG 4.18Å
171K66.7Low81.7Confident203 Ų20353.1 Ų53.188%0.88323%0.232SC*.THydrogen-bonded Turntrans-86-21.3-178.7-64.3-176.6-179.5177.40113.4E169E169-K171 PolarHBondContact O-N 2.61Å
172R61.7Low81.8Confident156 Ų15651.9 Ų51.959%0.58922%0.224SC*.EExtended strand (participates in β ladder)trans-136.169-176.1-64.7-176175.9177.40.9109.4E169 R174 I175E169-R172 HydrophobicContact CB-CB 4.11Å; E169-R172 CarbonylContact O-C 3.21Å; E169-R172 PolarHBondContact O-N 3.49Å; E169-R172 VanDerWaalsContact O-N 3.11Å; R172-R174 PolarHBondContact O-N 3.01Å; R172-I175 HydrophobicContact CB-CD1 4.28Å; R172-I175 HydrophobicContact CB-CG1 4.46Å; R172-I175 PolarHBondContact O-N 2.65Å
173R60.2Low81.7Confident191 Ų19155.4 Ų55.472%0.72124%0.243SC*.EExtended strand (participates in β ladder)trans-54.60.6-174-63.1-174.6-179.1-179.6-0.5116.7E169E169-R173 PolarHBondContact O-N 3.13Å
174R64.6Low81.4Confident238 Ų23861 Ų6190%0.89827%0.273SS*.EExtended strand (participates in β ladder)trans-109.2-10.4-179.8-64.8-170.4177.9-174.6-0.4113.6R172 P176R172-R174 PolarHBondContact O-N 3.01Å; R174-P176 WeakPolarHBondContact O-CD 3.44Å
175I68.8Low81.3Confident59 Ų5964.2 Ų64.230%0.30329%0.288SS..EExtended strand (participates in β ladder)trans-102.3110.4-178.4-54.4179.2000107.7E169 R172 C177E169-I175 PolarHBondContact N-O 3.08Å; R172-I175 HydrophobicContact CB-CD1 4.28Å; R172-I175 HydrophobicContact CB-CG1 4.46Å; R172-I175 PolarHBondContact O-N 2.65Å; I175-C177 PolarHBondContact O-N 2.88Å
176P76.8Confident81.3Confident38 Ų3864.9 Ų64.925%0.24729%0.291CS..EExtended strand (participates in β ladder)trans-65.7132.2167.628.4-34000110L139 I166 R174L139-P176 HydrophobicContact CD1-CB 4.43Å; L139-P176 HydrophobicContact CD2-CB 3.51Å; L139-P176 HydrophobicContact CD2-CG 3.68Å; I166-P176 HydrophobicContact CG2-CB 3.86Å; R174-P176 WeakPolarHBondContact O-CD 3.44Å
177C85.4Confident81.3Confident0 Ų066.7 Ų66.70%030%0.3CS..EExtended strand (participates in β ladder)trans-117.4131.3171.4-75.80000108.2I166 S167 E169 I175 Y179 V188I166-C177 WeakPolarHBondContact CA-O 3.38Å; S167-C177 PolarHBondContact N-O 2.86Å; S167-C177 PolarHBondContact O-N 3.28Å; S167-C177 VanDerWaalsContact O-O 3.05Å; E169-C177 PolarHBondContact OE1-SG 3.16Å; I175-C177 PolarHBondContact O-N 2.88Å; C177-Y179 HydrophobicContact CB-CD2 4.31Å; C177-Y179 HydrophobicContact CB-CE2 3.58Å; C177-Y179 WeakPolarHBondContact O-CD2 3.49Å; C177-Y179 WeakPolarHBondContact O-CE2 3.48Å; C177-V188 HydrophobicContact CB-CG1 3.8Å
178M90.8Very high81.4Confident5 Ų568.3 Ų68.33%0.02531%0.31CS..EExtended strand (participates in β ladder)trans-89.5126170.8-176.5167.351.100108.1Y164 L165 V180 V188 I189 C191 I221 F236Y164-M178 HydrophobicContact CD2-SD 4.42Å; L165-M178 WeakPolarHBondContact O-CA 3.37Å; M178-V180 HydrophobicContact CG-CG2 4.16Å; M178-V188 WeakPolarHBondContact O-CA 3.49Å; M178-I189 HydrophobicContact CB-CB 4.43Å; M178-I189 HydrophobicContact CE-CB 3.89Å; M178-I189 HydrophobicContact CE-CD1 4.34Å; M178-I189 HydrophobicContact CE-CG2 3.81Å; M178-I189 PolarHBondContact N-O 3.1Å; M178-I189 PolarHBondContact O-N 3.14Å; M178-C191 VanDerWaalsContact CE-SG 3.52Å; M178-I221 HydrophobicContact CE-CD1 4.48Å; M178-I221 HydrophobicContact CE-CG1 4.31Å; M178-I221 HydrophobicContact SD-CD1 3.48Å; M178-I221 WeakPolarHBondContact SD-CD1 3.39Å; M178-I221 HydrophobicContact SD-CG1 3.72Å; M178-I221 HydrophobicContact SD-CG2 4.21Å; M178-F236 HydrophobicContact CE-CD1 4.32Å; M178-F236 HydrophobicContact CE-CE1 3.2Å; M178-F236 HydrophobicContact CE-CE2 4.04Å; M178-F236 HydrophobicContact CE-CZ 3.06Å; M178-F236 HydrophobicContact CG-CE1 4.06Å; M178-F236 HydrophobicContact SD-CD1 3.89Å; M178-F236 HydrophobicContact SD-CE1 3.23Å; M178-F236 WeakPolarHBondContact SD-CE1 3.35Å; M178-F236 HydrophobicContact SD-CZ 3.75Å
179Y93.5Very high81.7Confident13 Ų1367.1 Ų67.15%0.05130%0.303CS..EExtended strand (participates in β ladder)trans-105.7132.6177.5-65.7-97000107.8I154 Y164 L165 C177 I186 E187 V188I154-Y179 HydrophobicContact CD1-CD1 3.75Å; I154-Y179 HydrophobicContact CD1-CD2 4.19Å; I154-Y179 HydrophobicContact CD1-CE1 3.66Å; I154-Y179 HydrophobicContact CD1-CE2 4.14Å; I154-Y179 HydrophobicContact CD1-CG 4Å; I154-Y179 HydrophobicContact CG2-CD1 4.06Å; I154-Y179 HydrophobicContact CG2-CG 4.15Å; Y164-Y179 CarbonylContact C-O 3.59Å; Y164-Y179 WeakPolarHBondContact CA-O 3.5Å; Y164-Y179 WeakPolarHBondContact CB-O 3.35Å; L165-Y179 HydrophobicContact CD1-CD2 3.98Å; L165-Y179 HydrophobicContact CD1-CG 4.37Å; L165-Y179 PolarHBondContact N-O 3.4Å; L165-Y179 PolarHBondContact O-N 3.45Å; C177-Y179 HydrophobicContact CB-CD2 4.31Å; C177-Y179 HydrophobicContact CB-CE2 3.58Å; C177-Y179 WeakPolarHBondContact O-CD2 3.49Å; C177-Y179 WeakPolarHBondContact O-CE2 3.48Å; Y179-I186 HydrophobicContact CD1-CG2 3.88Å; Y179-E187 WeakPolarHBondContact CA-O 3.45Å; Y179-V188 HydrophobicContact CD1-CG2 3.71Å; Y179-V188 HydrophobicContact CE1-CG1 4.24Å; Y179-V188 HydrophobicContact CE1-CG2 3.6Å
180V94.2Very high82Confident0 Ų069.6 Ų69.60%031%0.312CS..EExtended strand (participates in β ladder)trans-132.5131.9-177.6-168.10000108.9D163 M178 I186 E187 I189 V234 F236D163-V180 CarbonylContact O-C 3.57Å; D163-V180 VanDerWaalsContact O-CA 3.29Å; D163-V180 WeakPolarHBondContact O-CA 3.08Å; M178-V180 HydrophobicContact CG-CG2 4.16Å; V180-I186 CarbonylContact O-C 3.57Å; V180-I186 WeakPolarHBondContact O-CA 3.48Å; V180-E187 PolarHBondContact N-O 3.44Å; V180-E187 PolarHBondContact O-N 3.08Å; V180-I189 HydrophobicContact CG2-CD1 4.09Å; V180-V234 HydrophobicContact CG1-CG2 4.35Å; V180-V234 HydrophobicContact CG2-CG2 4.44Å; V180-F236 HydrophobicContact CG2-CD1 4Å; V180-F236 HydrophobicContact CG2-CE1 3.37Å; V180-F236 HydrophobicContact CG2-CZ 4.3Å
181R94.2Very high82.5Confident29 Ų2966.9 Ų66.911%0.10929%0.294CS..EExtended strand (participates in β ladder)trans-78.4127.3166.1171.9141.5-87.2133.2-5.8109.1N155 L158 K160 D161 G162 D163 D184 Q185 I186N155-R181 PolarHBondContact O-NH1 3.18Å; N155-R181 PolarHBondContact OD1-NH2 3.07Å; L158-R181 HydrophobicContact CB-CB 3.83Å; L158-R181 VanDerWaalsContact O-CD 3.28Å; L158-R181 WeakPolarHBondContact O-CD 3.37Å; L158-R181 PolarHBondContact O-NH1 3.3Å; K160-R181 WeakPolarHBondContact O-CB 3.33Å; D161-R181 CarbonylContact C-O 3.56Å; D161-R181 WeakPolarHBondContact CA-O 3.34Å; G162-R181 PolarHBondContact N-O 3.44Å; D163-R181 PolarHBondContact O-N 3.42Å; R181-D184 PolarHBondContact NH2-O 3.24Å; R181-Q185 CarbonylContact C-O 3.51Å; R181-Q185 WeakPolarHBondContact CA-O 3.49Å; R181-I186 HydrophobicContact CB-CD1 3.72Å; R181-I186 HydrophobicContact CG-CD1 4.38Å; R181-I186 VanDerWaalsContact CZ-CD1 3.41Å
182W92.4Very high82.8Confident16 Ų1665.7 Ų65.76%0.06128%0.284CS..EExtended strand (participates in β ladder)trans-147.7122.1175.9-166.7-97.7000111D161 D184 Q185 E187 G233 V234 M235 W461 V509 G512 V514D161-W182 HydrophobicContact CB-CE3 4.47Å; D161-W182 VanDerWaalsContact OD1-CA 3.29Å; D161-W182 WeakPolarHBondContact OD1-CA 3.48Å; W182-D184 PolarHBondContact O-N 2.75Å; W182-Q185 PolarHBondContact N-O 3.16Å; W182-Q185 PolarHBondContact O-N 2.74Å; W182-E187 HydrophobicContact CB-CG 4.28Å; W182-G233 PolarHBondContact NE1-O 3.42Å; W182-V234 HydrophobicContact CB-CB 4.32Å; W182-V234 HydrophobicContact CB-CG1 3.76Å; W182-V234 HydrophobicContact CD2-CB 3.94Å; W182-V234 HydrophobicContact CD2-CG1 4.1Å; W182-V234 HydrophobicContact CE3-CB 4.04Å; W182-V234 HydrophobicContact CG-CB 4.07Å; W182-V234 HydrophobicContact CG-CG1 3.69Å; W182-M235 HydrophobicContact CH2-CB 3.95Å; W182-M235 HydrophobicContact CH2-CG 3.89Å; W182-M235 HydrophobicContact CZ3-CB 3.84Å; W182-M235 HydrophobicContact CZ3-CG 4.3Å; W182-M235 VanDerWaalsContact CZ3-N 3.25Å; W182-W461 AromaticContact CH2-CZ2 4Å; W182-W461 HydrophobicContact CH2-CZ2 4Å; W182-W461 HydrophobicContact CZ2-CH2 4.43Å; W182-W461 AromaticContact CZ2-CZ2 3.53Å; W182-W461 HydrophobicContact CZ2-CZ2 3.53Å; W182-V509 HydrophobicContact CE3-CG2 4.38Å; W182-V509 HydrophobicContact CH2-CG1 4.39Å; W182-V509 HydrophobicContact CH2-CG2 3.48Å; W182-V509 VanDerWaalsContact CH2-CG2 3.48Å; W182-V509 HydrophobicContact CZ2-CG1 4.12Å; W182-V509 HydrophobicContact CZ2-CG2 4.06Å; W182-V509 HydrophobicContact CZ3-CG2 3.66Å; W182-G512 PolarHBondContact NE1-O 3.47Å; W182-G512 VanDerWaalsContact NE1-O 3.13Å; W182-V514 HydrophobicContact CH2-CG2 3.85Å; W182-V514 HydrophobicContact CZ2-CG2 4.31Å
183N88.5Confident83.5Confident73 Ų7359.9 Ų59.939%0.3927%0.27SS..THydrogen-bonded Turntrans51.653.4178.7-168.459.6000112D161 Q185 G512D161-N183 VanDerWaalsContact CG-N 3.35Å; D161-N183 PolarHBondContact OD1-N 3.34Å; D161-N183 PolarHBondContact OD2-N 2.89Å; N183-Q185 PolarHBondContact O-N 2.62Å; N183-G512 WeakPolarHBondContact OD1-CA 3.3Å; N183-G512 PolarHBondContact OD1-N 2.52Å
184D85.3Confident84.2Confident122 Ų12252.5 Ų52.565%0.65224%0.244SC*.THydrogen-bonded Turntrans63.4-1.2-177-58.8-45.1000116R181 W182R181-D184 PolarHBondContact NH2-O 3.24Å; W182-D184 PolarHBondContact O-N 2.75Å
185Q91Very high84.1Confident66 Ų6645.6 Ų45.631%0.30824%0.238SC..EExtended strand (participates in β ladder)trans-104.2160.6177.6-58.9-57.3-49.800111.5R181 W182 N183R181-Q185 CarbonylContact C-O 3.51Å; R181-Q185 WeakPolarHBondContact CA-O 3.49Å; W182-Q185 PolarHBondContact N-O 3.16Å; W182-Q185 PolarHBondContact O-N 2.74Å; N183-Q185 PolarHBondContact O-N 2.62Å
186I92.9Very high84.1Confident15 Ų1548.4 Ų48.48%0.07726%0.258CS..EExtended strand (participates in β ladder)trans-102.5116.1168.9-58.7-53.7000108.5I154 N155 L158 Y179 V180 R181I154-I186 HydrophobicContact CG2-CG1 4.47Å; I154-I186 HydrophobicContact CG2-CG2 4.01Å; N155-I186 VanDerWaalsContact OD1-CG1 3.24Å; N155-I186 WeakPolarHBondContact OD1-CG1 3.44Å; L158-I186 HydrophobicContact CB-CD1 3.97Å; L158-I186 HydrophobicContact CD1-CD1 3.86Å; L158-I186 HydrophobicContact CD1-CG2 4.38Å; Y179-I186 HydrophobicContact CD1-CG2 3.88Å; V180-I186 CarbonylContact O-C 3.57Å; V180-I186 WeakPolarHBondContact O-CA 3.48Å; R181-I186 HydrophobicContact CB-CD1 3.72Å; R181-I186 HydrophobicContact CG-CD1 4.38Å; R181-I186 VanDerWaalsContact CZ-CD1 3.41Å
187E92.2Very high83.9Confident38 Ų3849.9 Ų49.918%0.17826%0.259CS..EExtended strand (participates in β ladder)trans-94.1140.6174.4-65.4-63.215900110Y179 V180 W182 V234Y179-E187 WeakPolarHBondContact CA-O 3.45Å; V180-E187 PolarHBondContact N-O 3.44Å; V180-E187 PolarHBondContact O-N 3.08Å; W182-E187 HydrophobicContact CB-CG 4.28Å; E187-V234 HydrophobicContact CB-CG1 4.02Å; E187-V234 HydrophobicContact CG-CG1 3.85Å
188V90.4Very high83.6Confident35 Ų3552.4 Ų52.421%0.21229%0.285CS..EExtended strand (participates in β ladder)trans-113.3117.5-178.9-173.20000109.5C177 M178 Y179C177-V188 HydrophobicContact CB-CG1 3.8Å; M178-V188 WeakPolarHBondContact O-CA 3.49Å; Y179-V188 HydrophobicContact CD1-CG2 3.71Å; Y179-V188 HydrophobicContact CE1-CG1 4.24Å; Y179-V188 HydrophobicContact CE1-CG2 3.6Å
189I87Confident83.3Confident10 Ų1053.8 Ų53.85%0.05129%0.291CS..EExtended strand (participates in β ladder)trans-114.1127.4-176.4-59.7172.8000109.2M178 V180 V234 F236M178-I189 HydrophobicContact CB-CB 4.43Å; M178-I189 HydrophobicContact CE-CB 3.89Å; M178-I189 HydrophobicContact CE-CD1 4.34Å; M178-I189 HydrophobicContact CE-CG2 3.81Å; M178-I189 PolarHBondContact N-O 3.1Å; M178-I189 PolarHBondContact O-N 3.14Å; V180-I189 HydrophobicContact CG2-CD1 4.09Å; I189-V234 HydrophobicContact CD1-CG2 3.36Å; I189-F236 HydrophobicContact CD1-CE1 4.21Å; I189-F236 HydrophobicContact CD1-CZ 3.7Å
190R80.5Confident82.9Confident80 Ų8055.3 Ų55.330%0.30230%0.297SS..  trans-103.796174.1-64.2-172.1-175.4110.9-6.7108.7E169E169-R190 IonicContact OE1-CZ 2.72Å; E169-R190 VanDerWaalsContact OE1-CZ 3.29Å; E169-R190 IonicContact OE1-NE 3.55Å; E169-R190 PolarHBondContact OE1-NE 3.16Å; E169-R190 IonicContact OE1-NH2 3.34Å; E169-R190 PolarHBondContact OE1-NH2 2.77Å
191C74.7Confident82.6Confident18 Ų1856.6 Ų56.612%0.12230%0.304CS..  trans-74.9128.5172.6-60.80000109.5M178 L217 L220 W648M178-C191 VanDerWaalsContact CE-SG 3.52Å; C191-L217 HydrophobicContact CB-CD1 3.42Å; C191-L217 VanDerWaalsContact CB-CD1 3.42Å; C191-L220 HydrophobicContact CB-CD2 4.46Å; C191-W648 HydrophobicContact CB-CZ3 4.38Å
192R72.9Confident82.3Confident177 Ų17755.4 Ų55.467%0.66830%0.3SS*.  trans-117137.9172.4-65.6-176.2179.4165.82.7108.5
193A76.4Confident81.9Confident35 Ų3555.1 Ų55.129%0.28930%0.3SS..  trans-66150.8165.800000108.8A195 Y200A193-A195 PolarHBondContact O-N 3.32Å; A193-Y200 HydrophobicContact CB-CD1 4.25Å; A193-Y200 HydrophobicContact CB-CE1 3.94Å; A193-Y200 HydrophobicContact CB-CE2 4.24Å
194D75.4Confident81.3Confident35 Ų3555.7 Ų55.719%0.18730%0.297CS..  trans-53.4123168.4177.9-61.7000108.5T196 R197 G198 M199D194-T196 PolarHBondContact O-N 3.25Å; D194-T196 VanDerWaalsContact O-N 3.16Å; D194-T196 WeakPolarHBondContact OD1-CA 3.21Å; D194-T196 WeakPolarHBondContact OD1-CB 3.42Å; D194-T196 PolarHBondContact OD1-N 3.47Å; D194-T196 PolarHBondContact OD1-OG1 3.04Å; D194-R197 HydrophobicContact CB-CB 4.18Å; D194-R197 HydrophobicContact CB-CG 4.45Å; D194-R197 PolarHBondContact O-N 3.05Å; D194-R197 PolarHBondContact OD1-N 3.24Å; D194-R197 IonicContact OD2-NE 2.89Å; D194-G198 PolarHBondContact O-N 3.19Å; D194-M199 WeakPolarHBondContact CB-O 3.36Å; D194-M199 PolarHBondContact N-O 3.4Å
195A62.9Low80.3Confident93 Ų9350 Ų5077%0.76927%0.268SS*.THydrogen-bonded Turntrans-63.2-24.8-172.100000112.7A193A193-A195 PolarHBondContact O-N 3.32Å
196T68.5Low78.9Confident118 Ų11849.2 Ų49.272%0.72428%0.277SS*.THydrogen-bonded Turntrans-86.5-33.6-179.666.40000112.4D194D194-T196 PolarHBondContact O-N 3.25Å; D194-T196 VanDerWaalsContact O-N 3.16Å; D194-T196 WeakPolarHBondContact OD1-CA 3.21Å; D194-T196 WeakPolarHBondContact OD1-CB 3.42Å; D194-T196 PolarHBondContact OD1-N 3.47Å; D194-T196 PolarHBondContact OD1-OG1 3.04Å
197R72.4Confident77.4Confident70 Ų7053.3 Ų53.326%0.26430%0.299SS..THydrogen-bonded Turntrans-102-26-171.2-59.1169.3-168.1-113-21.9114D194 M199 F213 Y344 E349D194-R197 HydrophobicContact CB-CB 4.18Å; D194-R197 HydrophobicContact CB-CG 4.45Å; D194-R197 PolarHBondContact O-N 3.05Å; D194-R197 PolarHBondContact OD1-N 3.24Å; D194-R197 IonicContact OD2-NE 2.89Å; R197-M199 HydrophobicContact CB-CB 4.11Å; R197-M199 HydrophobicContact CB-CE 3.99Å; R197-M199 HydrophobicContact CB-CG 4.3Å; R197-M199 HydrophobicContact CG-CE 4.37Å; R197-M199 PolarHBondContact O-N 3.04Å; R197-F213 VanDerWaalsContact CD-CE1 3.43Å; R197-Y344 PolarHBondContact NH1-OH 3.25Å; R197-E349 VanDerWaalsContact CD-OE2 3.31Å; R197-E349 WeakPolarHBondContact CD-OE2 3.41Å; R197-E349 WeakPolarHBondContact CG-OE2 3.23Å; R197-E349 VanDerWaalsContact CZ-CD 3.4Å; R197-E349 IonicContact CZ-OE1 3.05Å; R197-E349 IonicContact CZ-OE2 3.31Å; R197-E349 IonicContact NE-OE1 2.84Å; R197-E349 IonicContact NE-OE2 3.86Å; R197-E349 IonicContact NH1-OE1 3.35Å; R197-E349 PolarHBondContact NH1-OE1 2.87Å; R197-E349 IonicContact NH1-OE2 3.39Å; R197-E349 PolarHBondContact NH1-OE2 3.11Å; R197-E349 IonicContact NH2-OE1 2.82Å; R197-E349 PolarHBondContact NH2-OE1 2.86Å
198G78.4Confident76.1Confident52 Ų5251.9 Ų51.954%0.53629%0.293SS..SBendtrans65.612.6-166.500000113.7D194D194-G198 PolarHBondContact O-N 3.19Å
199M84.9Confident74.9Confident34 Ų3453.9 Ų53.917%0.16731%0.313CS..SBendtrans-108.7161177.6-63.6-168.2-73.500110.6D194 R197 F213 E349 T363D194-M199 WeakPolarHBondContact CB-O 3.36Å; D194-M199 PolarHBondContact N-O 3.4Å; R197-M199 HydrophobicContact CB-CB 4.11Å; R197-M199 HydrophobicContact CB-CE 3.99Å; R197-M199 HydrophobicContact CB-CG 4.3Å; R197-M199 HydrophobicContact CG-CE 4.37Å; R197-M199 PolarHBondContact O-N 3.04Å; M199-F213 HydrophobicContact CB-CB 4.11Å; M199-F213 HydrophobicContact CB-CD1 4.19Å; M199-F213 HydrophobicContact CE-CB 4.03Å; M199-F213 HydrophobicContact CE-CG 4.14Å; M199-F213 HydrophobicContact SD-CB 3.99Å; M199-E349 WeakPolarHBondContact CE-OE2 3.36Å; M199-T363 HydrophobicContact SD-CG2 4.26Å
200Y86.4Confident74.5Confident45 Ų4554.5 Ų54.518%0.17632%0.318CS..EExtended strand (participates in β ladder)trans-99134.3175-59.5-90.9000110.3A193 F213 V214 L217 L220A193-Y200 HydrophobicContact CB-CD1 4.25Å; A193-Y200 HydrophobicContact CB-CE1 3.94Å; A193-Y200 HydrophobicContact CB-CE2 4.24Å; Y200-F213 CarbonylContact O-C 3.52Å; Y200-F213 VanDerWaalsContact O-CA 3.31Å; Y200-F213 WeakPolarHBondContact O-CA 3.44Å; Y200-V214 PolarHBondContact N-O 3.27Å; Y200-V214 PolarHBondContact O-N 2.85Å; Y200-L217 HydrophobicContact CD1-CD1 4.47Å; Y200-L217 HydrophobicContact CE1-CB 4.4Å; Y200-L217 HydrophobicContact CE1-CD1 4.08Å; Y200-L217 HydrophobicContact CE2-CB 4.14Å; Y200-L220 HydrophobicContact CD1-CD2 3.72Å; Y200-L220 HydrophobicContact CG-CB 4.39Å; Y200-L220 HydrophobicContact CG-CD2 4.01Å
201L87.2Confident74.8Confident28 Ų2856 Ų5615%0.14733%0.327CS..EExtended strand (participates in β ladder)trans-76.3126.9176.4-177.172.9000109.8K211 F213 L220 A647L201-K211 HydrophobicContact CD1-CB 4.06Å; L201-K211 HydrophobicContact CD1-CG 4.49Å; L201-F213 HydrophobicContact CB-CD1 4.41Å; L201-F213 HydrophobicContact CB-CE1 4.17Å; L201-F213 HydrophobicContact CD1-CD1 4.17Å; L201-F213 HydrophobicContact CD1-CE1 3.57Å; L201-F213 HydrophobicContact CD1-CE2 4.24Å; L201-F213 HydrophobicContact CD1-CZ 3.59Å; L201-F213 HydrophobicContact CG-CE1 4.48Å; L201-L220 WeakPolarHBondContact O-CD1 3.29Å; L201-A647 HydrophobicContact CD2-CB 3.94Å
202L88.7Confident75.6Confident4 Ų455.5 Ų55.52%0.02132%0.323CS..PPolyproline II helixtrans-65.5149.5174.5-74.6-175000111.8R204 E212 V214 S223 P284 A286 N364L202-R204 PolarHBondContact O-N 3.09Å; L202-E212 HydrophobicContact CB-CB 4.23Å; L202-E212 HydrophobicContact CD1-CB 3.88Å; L202-E212 HydrophobicContact CG-CB 4.38Å; L202-E212 PolarHBondContact N-O 3Å; L202-V214 HydrophobicContact CD1-CG1 4.05Å; L202-V214 HydrophobicContact CD2-CB 4.19Å; L202-V214 HydrophobicContact CD2-CG1 3.46Å; L202-V214 VanDerWaalsContact CD2-CG1 3.46Å; L202-V214 HydrophobicContact CD2-CG2 3.68Å; L202-V214 HydrophobicContact CG-CG1 3.84Å; L202-V214 HydrophobicContact CG-CG2 4.33Å; L202-S223 VanDerWaalsContact CD2-OG 3.26Å; L202-S223 WeakPolarHBondContact CD2-OG 3.36Å; L202-P284 HydrophobicContact CD1-CG 4.22Å; L202-A286 HydrophobicContact CB-CB 4.16Å; L202-A286 HydrophobicContact CD1-CB 4.42Å; L202-N364 HydrophobicContact CD1-CB 4.15Å
203P82.7Confident76.3Confident10 Ų1047.1 Ų47.17%0.06529%0.291CS..PPolyproline II helixtrans-62.5131.6176.826-33000110.5G205 A224 C227 A229 A286P203-G205 PolarHBondContact O-N 2.88Å; P203-A224 HydrophobicContact CG-CB 4.34Å; P203-C227 HydrophobicContact CG-CB 4.48Å; P203-A229 HydrophobicContact CB-CB 3.47Å; P203-A229 VanDerWaalsContact CB-CB 3.47Å; P203-A229 HydrophobicContact CG-CB 3.67Å; P203-A286 WeakPolarHBondContact O-CB 3.24Å
204R76.6Confident76.9Confident84 Ų8445.5 Ų45.532%0.31728%0.278SS..PPolyproline II helixtrans-81.2123.4178.5-62.4-168.3-168.6162.613.5110.6L202L202-R204 PolarHBondContact O-N 3.09Å
205G64.5Low77.3Confident4 Ų446.7 Ų46.74%0.04129%0.289CS..PPolyproline II helixtrans-95.1122.2171.600000111.2P203 G288P203-G205 PolarHBondContact O-N 2.88Å; G205-G288 VanDerWaalsContact O-CA 3.27Å; G205-G288 WeakPolarHBondContact O-CA 3.31Å
206G62Low78.3Confident49 Ų4943.7 Ų43.751%0.50526%0.261SS..THydrogen-bonded Turntrans55.2-153.117600000114.1S208G206-S208 PolarHBondContact O-N 3.17Å
207N60.1Low79.2Confident100 Ų10038.6 Ų38.654%0.53523%0.229SC..THydrogen-bonded Turntrans-76.518.4-173.8-53.837.8000114.3A209 V296 E640N207-A209 PolarHBondContact O-N 2.74Å; N207-V296 HydrophobicContact CB-CG2 3.87Å; N207-E640 VanDerWaalsContact CA-OE1 3.29Å; N207-E640 WeakPolarHBondContact CA-OE1 3.33Å; N207-E640 VanDerWaalsContact CG-OE1 3.24Å; N207-E640 PolarHBondContact OD1-OE1 2.95Å
208S64.8Low80Confident9 Ų935.4 Ų35.46%0.06322%0.217CC..  trans-68.6122.7176.3178.90000110.2G206 C210 V287G206-S208 PolarHBondContact O-N 3.17Å; S208-C210 VanDerWaalsContact C-N 3.26Å; S208-C210 PolarHBondContact OG-N 2.76Å; S208-V287 WeakPolarHBondContact OG-CG1 3.22Å
209A65.5Low80.4Confident76 Ų7633.2 Ų33.263%0.62819%0.193SC*.  trans-78.5-9.4173.900000113.2N207 K211N207-A209 PolarHBondContact O-N 2.74Å; A209-K211 PolarHBondContact O-N 3.03Å
210C79.7Confident80.7Confident24 Ų2431.8 Ų31.816%0.16219%0.186CC..  trans-72.7130.1-173.7-59.50000111S208 V287 F351S208-C210 VanDerWaalsContact C-N 3.26Å; S208-C210 PolarHBondContact OG-N 2.76Å; C210-V287 HydrophobicContact CB-CG1 4.07Å; C210-F351 HydrophobicContact CB-CZ 4.42Å
211K86.6Confident80.8Confident111 Ų11129.7 Ų29.748%0.48318%0.178SC..  trans-92.7115.5169.1-62.4-170.3-176.3-175.70108.4L201 A209 F213 F351L201-K211 HydrophobicContact CD1-CB 4.06Å; L201-K211 HydrophobicContact CD1-CG 4.49Å; A209-K211 PolarHBondContact O-N 3.03Å; K211-F213 HydrophobicContact CB-CE2 3.7Å; K211-F213 HydrophobicContact CB-CZ 3.93Å; K211-F213 HydrophobicContact CD-CZ 4.49Å; K211-F351 WeakPolarHBondContact O-CZ 3.19Å
212E90.4Very high81Confident7 Ų728.4 Ų28.43%0.03317%0.172CC..  trans-115.2147.2179.1-63.8171.9101.100109.9L202 A286 V287 F351 N364 V365L202-E212 HydrophobicContact CB-CB 4.23Å; L202-E212 HydrophobicContact CD1-CB 3.88Å; L202-E212 HydrophobicContact CG-CB 4.38Å; L202-E212 PolarHBondContact N-O 3Å; E212-A286 WeakPolarHBondContact OE2-CA 3.37Å; E212-V287 WeakPolarHBondContact OE2-CB 3.47Å; E212-V287 WeakPolarHBondContact OE2-CG1 3.32Å; E212-V287 PolarHBondContact OE2-N 3.28Å; E212-F351 HydrophobicContact CG-CE2 3.83Å; E212-F351 HydrophobicContact CG-CZ 3.91Å; E212-N364 HydrophobicContact CB-CB 4.14Å; E212-N364 HydrophobicContact CG-CB 4.39Å; E212-V365 PolarHBondContact OE1-N 2.99Å
213F89.3Confident81Confident2 Ų228.2 Ų28.21%0.00917%0.171CC..EExtended strand (participates in β ladder)trans-130.4153.5-170.8-61.7-91000111.8R197 M199 Y200 L201 K211 T363R197-F213 VanDerWaalsContact CD-CE1 3.43Å; M199-F213 HydrophobicContact CB-CB 4.11Å; M199-F213 HydrophobicContact CB-CD1 4.19Å; M199-F213 HydrophobicContact CE-CB 4.03Å; M199-F213 HydrophobicContact CE-CG 4.14Å; M199-F213 HydrophobicContact SD-CB 3.99Å; Y200-F213 CarbonylContact O-C 3.52Å; Y200-F213 VanDerWaalsContact O-CA 3.31Å; Y200-F213 WeakPolarHBondContact O-CA 3.44Å; L201-F213 HydrophobicContact CB-CD1 4.41Å; L201-F213 HydrophobicContact CB-CE1 4.17Å; L201-F213 HydrophobicContact CD1-CD1 4.17Å; L201-F213 HydrophobicContact CD1-CE1 3.57Å; L201-F213 HydrophobicContact CD1-CE2 4.24Å; L201-F213 HydrophobicContact CD1-CZ 3.59Å; L201-F213 HydrophobicContact CG-CE1 4.48Å; K211-F213 HydrophobicContact CB-CE2 3.7Å; K211-F213 HydrophobicContact CB-CZ 3.93Å; K211-F213 HydrophobicContact CD-CZ 4.49Å; F213-T363 PolarHBondContact N-O 2.97Å; F213-T363 VanDerWaalsContact N-O 3.1Å; F213-T363 WeakPolarHBondContact O-CB 3.3Å; F213-T363 PolarHBondContact O-OG1 3.23Å
214V88.1Confident81.4Confident0 Ų027.8 Ų27.80%017%0.167CC..EExtended strand (participates in β ladder)trans-129.9152172.1-74.30000110.3Y200 L202 E219 L220 P284Y200-V214 PolarHBondContact N-O 3.27Å; Y200-V214 PolarHBondContact O-N 2.85Å; L202-V214 HydrophobicContact CD1-CG1 4.05Å; L202-V214 HydrophobicContact CD2-CB 4.19Å; L202-V214 HydrophobicContact CD2-CG1 3.46Å; L202-V214 VanDerWaalsContact CD2-CG1 3.46Å; L202-V214 HydrophobicContact CD2-CG2 3.68Å; L202-V214 HydrophobicContact CG-CG1 3.84Å; L202-V214 HydrophobicContact CG-CG2 4.33Å; V214-E219 HydrophobicContact CB-CB 3.61Å; V214-E219 HydrophobicContact CB-CG 4.39Å; V214-E219 VanDerWaalsContact CB-OE2 3.23Å; V214-E219 WeakPolarHBondContact CB-OE2 3.18Å; V214-E219 HydrophobicContact CG1-CB 3.9Å; V214-E219 HydrophobicContact CG2-CB 3.97Å; V214-L220 HydrophobicContact CG2-CB 3.95Å; V214-L220 HydrophobicContact CG2-CD1 4.45Å; V214-P284 HydrophobicContact CG1-CG 3.6Å
215S83.4Confident82Confident60 Ų6024 Ų2442%0.4215%0.154SC..SBendtrans-86.2-25.1-169.367.20000112.9E219S215-E219 PolarHBondContact N-OE2 3.4Å; S215-E219 PolarHBondContact OG-OE1 3Å; S215-E219 PolarHBondContact OG-OE2 2.73Å
216T85.2Confident83.1Confident31 Ų3127.4 Ų27.419%0.1917%0.165CC..SBendtrans-123.3156.8-17567.40000112.8D218 E219 L220T216-D218 VanDerWaalsContact C-N 3.28Å; T216-E219 WeakPolarHBondContact CG2-OE1 3.21Å; T216-E219 PolarHBondContact O-N 2.85Å; T216-E219 WeakPolarHBondContact OG1-CB 3.24Å; T216-E219 VanDerWaalsContact OG1-CG 3.31Å; T216-E219 WeakPolarHBondContact OG1-CG 3.46Å; T216-E219 PolarHBondContact OG1-N 2.79Å; T216-E219 VanDerWaalsContact OG1-N 3.16Å; T216-E219 PolarHBondContact OG1-OE1 3.4Å; T216-L220 PolarHBondContact O-N 2.99Å
217L86.3Confident84.2Confident11 Ų1125.4 Ų25.46%0.05814%0.144CC..Hα-helixtrans-66.7-34173.9178.959.9000111.1L139 Y142 I166 C191 Y200 L220 I221L139-L217 HydrophobicContact CD1-CD2 3.96Å; Y142-L217 HydrophobicContact CE2-CB 4.22Å; I166-L217 HydrophobicContact CD1-CD2 3.85Å; C191-L217 HydrophobicContact CB-CD1 3.42Å; C191-L217 VanDerWaalsContact CB-CD1 3.42Å; Y200-L217 HydrophobicContact CD1-CD1 4.47Å; Y200-L217 HydrophobicContact CE1-CB 4.4Å; Y200-L217 HydrophobicContact CE1-CD1 4.08Å; Y200-L217 HydrophobicContact CE2-CB 4.14Å; L217-L220 HydrophobicContact CD1-CD2 4.07Å; L217-L220 WeakPolarHBondContact O-CB 3.41Å; L217-L220 PolarHBondContact O-N 3.47Å; L217-I221 HydrophobicContact CD1-CD1 3.93Å; L217-I221 HydrophobicContact CD1-CG1 4.08Å; L217-I221 HydrophobicContact CD2-CD1 4.37Å; L217-I221 HydrophobicContact CG-CD1 3.73Å; L217-I221 HydrophobicContact CG-CG1 4.34Å; L217-I221 VanDerWaalsContact O-CG1 3.3Å; L217-I221 WeakPolarHBondContact O-CG1 3.21Å; L217-I221 PolarHBondContact O-N 2.87Å
218D88.6Confident85.4Confident2 Ų220.8 Ų20.81%0.01112%0.12CC..Hα-helixtrans-61.5-45175.6-169.752.1000112L133 D134 Y142 Y144 T216 L220 I221 K222L133-D218 WeakPolarHBondContact CA-OD2 3.5Å; D134-D218 PolarHBondContact N-OD2 3Å; Y142-D218 HydrophobicContact CD1-CB 4.41Å; Y142-D218 HydrophobicContact CE1-CB 3.86Å; Y142-D218 HydrophobicContact CE2-CB 3.98Å; Y142-D218 PolarHBondContact OH-N 3.21Å; Y144-D218 VanDerWaalsContact CE1-OD1 3.3Å; Y144-D218 WeakPolarHBondContact CE1-OD1 3.5Å; Y144-D218 VanDerWaalsContact CZ-OD1 3.3Å; Y144-D218 PolarHBondContact OH-OD1 3.11Å; T216-D218 VanDerWaalsContact C-N 3.28Å; D218-L220 VanDerWaalsContact C-N 3.34Å; D218-L220 PolarHBondContact O-N 3.23Å; D218-I221 PolarHBondContact O-N 2.79Å; D218-K222 WeakPolarHBondContact O-CB 3.26Å; D218-K222 PolarHBondContact O-N 2.67Å; D218-K222 WeakPolarHBondContact OD1-CD 3.25Å; D218-K222 WeakPolarHBondContact OD1-CE 3.33Å; D218-K222 IonicContact OD1-NZ 3.32Å; D218-K222 PolarHBondContact OD1-NZ 3.27Å; D218-K222 IonicContact OD2-NZ 2.68Å; D218-K222 PolarHBondContact OD2-NZ 2.9Å
219E88.7Confident86.5Confident7 Ų720.4 Ų20.43%0.03312%0.117CC..Hα-helixtrans-58.1-45172.3-79.5153.8-123.300112.1L133 V214 S215 T216 S223 Y276L133-E219 HydrophobicContact CD1-CG 3.99Å; L133-E219 HydrophobicContact CD2-CB 4.26Å; L133-E219 HydrophobicContact CD2-CG 3.73Å; V214-E219 HydrophobicContact CB-CB 3.61Å; V214-E219 HydrophobicContact CB-CG 4.39Å; V214-E219 VanDerWaalsContact CB-OE2 3.23Å; V214-E219 WeakPolarHBondContact CB-OE2 3.18Å; V214-E219 HydrophobicContact CG1-CB 3.9Å; V214-E219 HydrophobicContact CG2-CB 3.97Å; S215-E219 PolarHBondContact N-OE2 3.4Å; S215-E219 PolarHBondContact OG-OE1 3Å; S215-E219 PolarHBondContact OG-OE2 2.73Å; T216-E219 WeakPolarHBondContact CG2-OE1 3.21Å; T216-E219 PolarHBondContact O-N 2.85Å; T216-E219 WeakPolarHBondContact OG1-CB 3.24Å; T216-E219 VanDerWaalsContact OG1-CG 3.31Å; T216-E219 WeakPolarHBondContact OG1-CG 3.46Å; T216-E219 PolarHBondContact OG1-N 2.79Å; T216-E219 VanDerWaalsContact OG1-N 3.16Å; T216-E219 PolarHBondContact OG1-OE1 3.4Å; E219-S223 WeakPolarHBondContact O-CA 3.43Å; E219-S223 WeakPolarHBondContact O-CB 3.4Å; E219-S223 PolarHBondContact O-N 2.92Å; E219-Y276 HydrophobicContact CG-CE1 3.99Å; E219-Y276 WeakPolarHBondContact OE1-CE1 3.46Å; E219-Y276 PolarHBondContact OE1-OH 2.86Å
220L89.4Confident87.5Confident3 Ų318.3 Ų18.32%0.01610%0.095CC..Hα-helixtrans-60.4-50179.5177.966.9000111.7C191 Y200 L201 V214 T216 L217 D218 S223 A224 W648C191-L220 HydrophobicContact CB-CD2 4.46Å; Y200-L220 HydrophobicContact CD1-CD2 3.72Å; Y200-L220 HydrophobicContact CG-CB 4.39Å; Y200-L220 HydrophobicContact CG-CD2 4.01Å; L201-L220 WeakPolarHBondContact O-CD1 3.29Å; V214-L220 HydrophobicContact CG2-CB 3.95Å; V214-L220 HydrophobicContact CG2-CD1 4.45Å; T216-L220 PolarHBondContact O-N 2.99Å; L217-L220 HydrophobicContact CD1-CD2 4.07Å; L217-L220 WeakPolarHBondContact O-CB 3.41Å; L217-L220 PolarHBondContact O-N 3.47Å; D218-L220 VanDerWaalsContact C-N 3.34Å; D218-L220 PolarHBondContact O-N 3.23Å; L220-S223 PolarHBondContact O-N 2.88Å; L220-A224 VanDerWaalsContact O-CB 3.32Å; L220-A224 WeakPolarHBondContact O-CB 3.45Å; L220-A224 PolarHBondContact O-N 3.16Å; L220-W648 HydrophobicContact CD1-CH2 4.41Å; L220-W648 HydrophobicContact CD1-CZ2 4.31Å; L220-W648 HydrophobicContact CD2-CH2 3.65Å; L220-W648 HydrophobicContact CD2-CZ2 4.32Å; L220-W648 HydrophobicContact CD2-CZ3 4.45Å; L220-W648 HydrophobicContact CG-CH2 4.33Å
221I89.5Confident87.7Confident2 Ų217.5 Ų17.51%0.019%0.088CC..Hα-helixtrans-67.5-45.1-175.4-63.2163.5000110.5Y144 Y164 I166 M178 L217 D218 A224 S225 F236Y144-I221 HydrophobicContact CE2-CD1 4.38Å; Y164-I221 HydrophobicContact CD2-CG2 4.06Å; Y164-I221 HydrophobicContact CE1-CG2 4.15Å; Y164-I221 HydrophobicContact CE2-CG2 3.45Å; Y164-I221 VanDerWaalsContact CE2-CG2 3.45Å; Y164-I221 VanDerWaalsContact CZ-CG2 3.49Å; I166-I221 HydrophobicContact CD1-CD1 4.13Å; M178-I221 HydrophobicContact CE-CD1 4.48Å; M178-I221 HydrophobicContact CE-CG1 4.31Å; M178-I221 HydrophobicContact SD-CD1 3.48Å; M178-I221 WeakPolarHBondContact SD-CD1 3.39Å; M178-I221 HydrophobicContact SD-CG1 3.72Å; M178-I221 HydrophobicContact SD-CG2 4.21Å; L217-I221 HydrophobicContact CD1-CD1 3.93Å; L217-I221 HydrophobicContact CD1-CG1 4.08Å; L217-I221 HydrophobicContact CD2-CD1 4.37Å; L217-I221 HydrophobicContact CG-CD1 3.73Å; L217-I221 HydrophobicContact CG-CG1 4.34Å; L217-I221 VanDerWaalsContact O-CG1 3.3Å; L217-I221 WeakPolarHBondContact O-CG1 3.21Å; L217-I221 PolarHBondContact O-N 2.87Å; D218-I221 PolarHBondContact O-N 2.79Å; I221-A224 PolarHBondContact O-N 3.22Å; I221-S225 WeakPolarHBondContact O-CB 3.41Å; I221-S225 PolarHBondContact O-N 3.13Å; I221-S225 PolarHBondContact O-OG 3.32Å; I221-F236 HydrophobicContact CG2-CB 4.21Å; I221-F236 HydrophobicContact CG2-CD1 4.14Å; I221-F236 HydrophobicContact CG2-CD2 4.4Å; I221-F236 HydrophobicContact CG2-CG 3.97Å
222K90.2Very high87.3Confident1 Ų115.4 Ų15.40%0.0048%0.08CC..Hα-helixtrans-70.6-34.2178.8-73.6167.6175.4161.80111.6L131 Q132 L133 D134 D218 S225 R226 A283L131-K222 HydrophobicContact CD2-CG 4.39Å; L131-K222 WeakPolarHBondContact O-CD 3.26Å; Q132-K222 WeakPolarHBondContact O-CE 3.45Å; Q132-K222 PolarHBondContact O-NZ 3.19Å; L133-K222 HydrophobicContact CD2-CB 4.4Å; L133-K222 HydrophobicContact CD2-CD 3.97Å; D134-K222 VanDerWaalsContact N-NZ 3.14Å; D134-K222 IonicContact OD1-NZ 3.06Å; D134-K222 PolarHBondContact OD1-NZ 2.74Å; D218-K222 WeakPolarHBondContact O-CB 3.26Å; D218-K222 PolarHBondContact O-N 2.67Å; D218-K222 WeakPolarHBondContact OD1-CD 3.25Å; D218-K222 WeakPolarHBondContact OD1-CE 3.33Å; D218-K222 IonicContact OD1-NZ 3.32Å; D218-K222 PolarHBondContact OD1-NZ 3.27Å; D218-K222 IonicContact OD2-NZ 2.68Å; D218-K222 PolarHBondContact OD2-NZ 2.9Å; K222-S225 WeakPolarHBondContact O-CB 3.28Å; K222-S225 PolarHBondContact O-N 3.4Å; K222-R226 VanDerWaalsContact O-CB 3.29Å; K222-R226 WeakPolarHBondContact O-CB 3.09Å; K222-R226 PolarHBondContact O-N 3.04Å; K222-A283 HydrophobicContact CB-CB 3.63Å
223S90.5Very high87.1Confident0 Ų015.3 Ų15.30%08%0.081CC..Hα-helixtrans-62.5-48170.4176.50000111.1L202 E219 L220 S225 R226 C227 A283 P284L202-S223 VanDerWaalsContact CD2-OG 3.26Å; L202-S223 WeakPolarHBondContact CD2-OG 3.36Å; E219-S223 WeakPolarHBondContact O-CA 3.43Å; E219-S223 WeakPolarHBondContact O-CB 3.4Å; E219-S223 PolarHBondContact O-N 2.92Å; L220-S223 PolarHBondContact O-N 2.88Å; S223-S225 VanDerWaalsContact C-N 3.31Å; S223-S225 PolarHBondContact O-N 3Å; S223-R226 PolarHBondContact O-N 3.33Å; S223-C227 WeakPolarHBondContact O-CB 3.21Å; S223-C227 PolarHBondContact O-N 3.36Å; S223-C227 PolarHBondContact O-SG 3.13Å; S223-A283 VanDerWaalsContact N-CB 3.31Å; S223-P284 WeakPolarHBondContact CB-O 3.29Å; S223-P284 PolarHBondContact OG-O 3.43Å
224A90.4Very high87.1Confident0 Ų015.3 Ų15.30%08%0.082CC..Hα-helixtrans-60.6-41.4176.400000112.1P203 L220 I221 G228 A229 I231 F236P203-A224 HydrophobicContact CG-CB 4.34Å; L220-A224 VanDerWaalsContact O-CB 3.32Å; L220-A224 WeakPolarHBondContact O-CB 3.45Å; L220-A224 PolarHBondContact O-N 3.16Å; I221-A224 PolarHBondContact O-N 3.22Å; A224-G228 WeakPolarHBondContact O-CA 3.1Å; A224-G228 PolarHBondContact O-N 2.75Å; A224-A229 HydrophobicContact CB-CB 4.41Å; A224-A229 PolarHBondContact O-N 2.83Å; A224-I231 HydrophobicContact CB-CD1 3.39Å; A224-I231 HydrophobicContact CB-CG1 4.39Å; A224-F236 HydrophobicContact CB-CD2 4.01Å
225S89.4Confident87.2Confident4 Ų415.5 Ų15.53%0.0288%0.082CC..Hα-helixtrans-59.6-47.3173.8-54.50000111.2I221 K222 S223 G228 F236 R507I221-S225 WeakPolarHBondContact O-CB 3.41Å; I221-S225 PolarHBondContact O-N 3.13Å; I221-S225 PolarHBondContact O-OG 3.32Å; K222-S225 WeakPolarHBondContact O-CB 3.28Å; K222-S225 PolarHBondContact O-N 3.4Å; S223-S225 VanDerWaalsContact C-N 3.31Å; S223-S225 PolarHBondContact O-N 3Å; S225-G228 PolarHBondContact O-N 3.03Å; S225-G228 VanDerWaalsContact O-N 3.09Å; S225-F236 WeakPolarHBondContact CA-O 3.17Å; S225-F236 WeakPolarHBondContact CB-O 3.37Å; S225-F236 WeakPolarHBondContact OG-CB 3.08Å; S225-F236 PolarHBondContact OG-O 2.85Å; S225-R507 PolarHBondContact O-NH1 3.19Å
226R86.4Confident87.5Confident76 Ų7612.9 Ų12.929%0.2876%0.063SC..Hα-helixtrans-64.5-48.8-179.6-164.4-176.8168.4-150.6-13.8111.5K222 S223 G228 A283 L285 E366 R507K222-R226 VanDerWaalsContact O-CB 3.29Å; K222-R226 WeakPolarHBondContact O-CB 3.09Å; K222-R226 PolarHBondContact O-N 3.04Å; S223-R226 PolarHBondContact O-N 3.33Å; R226-G228 PolarHBondContact O-N 3.48Å; R226-G228 VanDerWaalsContact O-N 3.17Å; R226-A283 VanDerWaalsContact CD-O 3.24Å; R226-A283 WeakPolarHBondContact CD-O 3.31Å; R226-A283 PolarHBondContact NH1-O 3.46Å; R226-L285 HydrophobicContact CB-CD2 4.05Å; R226-L285 HydrophobicContact CG-CD2 3.69Å; R226-L285 HydrophobicContact CG-CG 4.17Å; R226-E366 IonicContact CZ-OE1 3.83Å; R226-E366 IonicContact CZ-OE2 3.19Å; R226-E366 IonicContact NH1-OE1 3.02Å; R226-E366 PolarHBondContact NH1-OE1 3Å; R226-E366 IonicContact NH1-OE2 3.93Å; R226-E366 PolarHBondContact NH1-OE2 3.29Å; R226-E366 IonicContact NH2-OE1 3.61Å; R226-E366 PolarHBondContact NH2-OE1 3.42Å; R226-E366 IonicContact NH2-OE2 3.58Å; R226-R507 PolarHBondContact O-NH1 3.42Å; R226-R507 PolarHBondContact O-NH2 2.74Å; R226-R507 VanDerWaalsContact O-NH2 3.11Å
227C85.9Confident87.6Confident7 Ų714.5 Ų14.55%0.0477%0.068CC..Hα-helixtrans-59.5-25.4173.2-65.60000111.9P203 S223 A229 L285 Y289P203-C227 HydrophobicContact CG-CB 4.48Å; S223-C227 WeakPolarHBondContact O-CB 3.21Å; S223-C227 PolarHBondContact O-N 3.36Å; S223-C227 PolarHBondContact O-SG 3.13Å; C227-A229 HydrophobicContact CB-CB 4.03Å; C227-A229 PolarHBondContact O-N 2.77Å; C227-L285 HydrophobicContact CB-CD2 4.26Å; C227-L285 VanDerWaalsContact SG-CD2 3.51Å; C227-Y289 HydrophobicContact CB-CD1 3.8Å; C227-Y289 HydrophobicContact CB-CD2 3.74Å; C227-Y289 HydrophobicContact CB-CE1 4Å; C227-Y289 HydrophobicContact CB-CE2 3.93Å; C227-Y289 HydrophobicContact CB-CG 3.66Å; C227-Y289 WeakPolarHBondContact O-CD1 3.44Å; C227-Y289 WeakPolarHBondContact O-CE1 3.43Å
228G85.8Confident87.6Confident4 Ų417 Ų174%0.0418%0.077CC..THydrogen-bonded Turntrans61.335.8-165.400000110.3A224 S225 R226 R507 R516A224-G228 WeakPolarHBondContact O-CA 3.1Å; A224-G228 PolarHBondContact O-N 2.75Å; S225-G228 PolarHBondContact O-N 3.03Å; S225-G228 VanDerWaalsContact O-N 3.09Å; R226-G228 PolarHBondContact O-N 3.48Å; R226-G228 VanDerWaalsContact O-N 3.17Å; G228-R507 VanDerWaalsContact CA-NH1 3.28Å; G228-R516 VanDerWaalsContact O-CZ 3.24Å; G228-R516 PolarHBondContact O-NH2 2.79Å
229A86.9Confident87.7Confident0 Ų017.1 Ų17.10%08%0.077CC..  trans-71.4143.3-179.400000109.9P203 A224 C227P203-A229 HydrophobicContact CB-CB 3.47Å; P203-A229 VanDerWaalsContact CB-CB 3.47Å; P203-A229 HydrophobicContact CG-CB 3.67Å; A224-A229 HydrophobicContact CB-CB 4.41Å; A224-A229 PolarHBondContact O-N 2.83Å; C227-A229 HydrophobicContact CB-CB 4.03Å; C227-A229 PolarHBondContact O-N 2.77Å
230E86.8Confident87.7Confident33 Ų3317.9 Ų17.915%0.1548%0.081CC..  trans-84.8126.9167.8-178-162.215000108G233 V234 S442 W461 N462E230-G233 WeakPolarHBondContact OE1-CA 3.31Å; E230-G233 PolarHBondContact OE1-N 3.21Å; E230-V234 WeakPolarHBondContact CA-O 3.46Å; E230-S442 WeakPolarHBondContact OE2-CB 3.45Å; E230-S442 PolarHBondContact OE2-OG 2.91Å; E230-W461 HydrophobicContact CB-CH2 4.36Å; E230-W461 HydrophobicContact CB-CZ2 4.44Å; E230-W461 HydrophobicContact CG-CH2 4.38Å; E230-W461 HydrophobicContact CG-CZ2 3.98Å; E230-N462 VanDerWaalsContact OE1-CA 3.31Å; E230-N462 WeakPolarHBondContact OE1-CA 3.34Å; E230-N462 VanDerWaalsContact OE1-CB 3.22Å; E230-N462 WeakPolarHBondContact OE1-CB 3.27Å
231I84.4Confident87.6Confident6 Ų622.1 Ų22.13%0.03110%0.1CC..BIsolated β-bridgetrans-121.3113.3173.8-66-177.5000106.4A224 G233 V234 F236 W648A224-I231 HydrophobicContact CB-CD1 3.39Å; A224-I231 HydrophobicContact CB-CG1 4.39Å; I231-G233 VanDerWaalsContact C-N 3.31Å; I231-G233 PolarHBondContact O-N 2.99Å; I231-V234 PolarHBondContact N-O 3.29Å; I231-V234 VanDerWaalsContact O-CG2 3.32Å; I231-V234 WeakPolarHBondContact O-CG2 3.46Å; I231-V234 PolarHBondContact O-N 3.16Å; I231-V234 VanDerWaalsContact O-N 3.11Å; I231-F236 HydrophobicContact CB-CE2 3.91Å; I231-F236 HydrophobicContact CD1-CD2 4.36Å; I231-F236 HydrophobicContact CD1-CE2 3.79Å; I231-F236 HydrophobicContact CG1-CE2 4.24Å; I231-F236 HydrophobicContact CG2-CE2 4.29Å; I231-W648 HydrophobicContact CD1-CH2 3.94Å; I231-W648 HydrophobicContact CD1-CZ2 3.81Å; I231-W648 HydrophobicContact CG1-CZ2 4.32Å; I231-W648 HydrophobicContact CG2-CE3 4.41Å; I231-W648 HydrophobicContact CG2-CH2 3.9Å; I231-W648 HydrophobicContact CG2-CZ2 4.14Å; I231-W648 HydrophobicContact CG2-CZ3 4.05Å
232H78.9Confident87Confident67 Ų6726 Ų2631%0.3112%0.117SC..THydrogen-bonded Turntrans50.343.7-178-59.6-72000114.5V234 W648H232-V234 VanDerWaalsContact C-N 3.31Å; H232-V234 PolarHBondContact O-N 3Å; H232-W648 AromaticContact NE2-CD2 3.95Å; H232-W648 AromaticContact NE2-CE3 3.63Å; H232-W648 AromaticContact NE2-CG 3.99Å
233G85.3Confident85.5Confident6 Ų633.9 Ų33.96%0.06215%0.154CC..THydrogen-bonded Turntrans82.5-4.3178.900000116.3W182 E230 I231 W461W182-G233 PolarHBondContact NE1-O 3.42Å; E230-G233 WeakPolarHBondContact OE1-CA 3.31Å; E230-G233 PolarHBondContact OE1-N 3.21Å; I231-G233 VanDerWaalsContact C-N 3.31Å; I231-G233 PolarHBondContact O-N 2.99Å; G233-W461 PolarHBondContact O-NE1 3.37Å
234V89.8Confident83.6Confident2 Ų237.4 Ų37.41%0.01218%0.177CC..BIsolated β-bridgetrans-116.9165.3178-46.80000112V180 W182 E187 I189 E230 I231 H232 F236V180-V234 HydrophobicContact CG1-CG2 4.35Å; V180-V234 HydrophobicContact CG2-CG2 4.44Å; W182-V234 HydrophobicContact CB-CB 4.32Å; W182-V234 HydrophobicContact CB-CG1 3.76Å; W182-V234 HydrophobicContact CD2-CB 3.94Å; W182-V234 HydrophobicContact CD2-CG1 4.1Å; W182-V234 HydrophobicContact CE3-CB 4.04Å; W182-V234 HydrophobicContact CG-CB 4.07Å; W182-V234 HydrophobicContact CG-CG1 3.69Å; E187-V234 HydrophobicContact CB-CG1 4.02Å; E187-V234 HydrophobicContact CG-CG1 3.85Å; I189-V234 HydrophobicContact CD1-CG2 3.36Å; E230-V234 WeakPolarHBondContact CA-O 3.46Å; I231-V234 PolarHBondContact N-O 3.29Å; I231-V234 VanDerWaalsContact O-CG2 3.32Å; I231-V234 WeakPolarHBondContact O-CG2 3.46Å; I231-V234 PolarHBondContact O-N 3.16Å; I231-V234 VanDerWaalsContact O-N 3.11Å; H232-V234 VanDerWaalsContact C-N 3.31Å; H232-V234 PolarHBondContact O-N 3Å; V234-F236 HydrophobicContact CG2-CZ 4.28Å
235M90.4Very high81.1Confident3 Ų345.2 Ų45.22%0.01521%0.211CC..  trans-127.8142.4167.8-57.1-168.5-26.300111.1G162 W182 W461 R507 V514 R516G162-M235 WeakPolarHBondContact CA-O 3.48Å; W182-M235 HydrophobicContact CH2-CB 3.95Å; W182-M235 HydrophobicContact CH2-CG 3.89Å; W182-M235 HydrophobicContact CZ3-CB 3.84Å; W182-M235 HydrophobicContact CZ3-CG 4.3Å; W182-M235 VanDerWaalsContact CZ3-N 3.25Å; M235-W461 HydrophobicContact CG-CH2 3.91Å; M235-W461 HydrophobicContact CG-CZ2 4.17Å; M235-W461 HydrophobicContact SD-CH2 3.83Å; M235-R507 HydrophobicContact CE-CB 4.05Å; M235-V514 HydrophobicContact CE-CB 4.48Å; M235-V514 HydrophobicContact CE-CG1 4.28Å; M235-V514 HydrophobicContact CE-CG2 3.87Å; M235-V514 HydrophobicContact SD-CB 4.34Å; M235-V514 HydrophobicContact SD-CG1 4.44Å; M235-V514 HydrophobicContact SD-CG2 4.11Å; M235-R516 PolarHBondContact SD-NH2 2.84Å; M235-R516 VanDerWaalsContact SD-NH2 3.37Å
236F89.7Confident78.7Confident5 Ų554 Ų542%0.02224%0.244CC..  trans-84.2134.1173.3-55-73000110.3Y164 M178 V180 I189 I221 A224 S225 I231 V234Y164-F236 HydrophobicContact CD1-CB 3.9Å; Y164-F236 AromaticContact CD1-CD1 3.83Å; Y164-F236 HydrophobicContact CD1-CD1 3.83Å; Y164-F236 HydrophobicContact CD1-CG 4.34Å; Y164-F236 HydrophobicContact CE1-CB 3.83Å; Y164-F236 HydrophobicContact CE1-CD1 4.43Å; Y164-F236 AromaticContact CG-CD1 3.89Å; Y164-F236 HydrophobicContact CG-CD1 3.89Å; M178-F236 HydrophobicContact CE-CD1 4.32Å; M178-F236 HydrophobicContact CE-CE1 3.2Å; M178-F236 HydrophobicContact CE-CE2 4.04Å; M178-F236 HydrophobicContact CE-CZ 3.06Å; M178-F236 HydrophobicContact CG-CE1 4.06Å; M178-F236 HydrophobicContact SD-CD1 3.89Å; M178-F236 HydrophobicContact SD-CE1 3.23Å; M178-F236 WeakPolarHBondContact SD-CE1 3.35Å; M178-F236 HydrophobicContact SD-CZ 3.75Å; V180-F236 HydrophobicContact CG2-CD1 4Å; V180-F236 HydrophobicContact CG2-CE1 3.37Å; V180-F236 HydrophobicContact CG2-CZ 4.3Å; I189-F236 HydrophobicContact CD1-CE1 4.21Å; I189-F236 HydrophobicContact CD1-CZ 3.7Å; I221-F236 HydrophobicContact CG2-CB 4.21Å; I221-F236 HydrophobicContact CG2-CD1 4.14Å; I221-F236 HydrophobicContact CG2-CD2 4.4Å; I221-F236 HydrophobicContact CG2-CG 3.97Å; A224-F236 HydrophobicContact CB-CD2 4.01Å; S225-F236 WeakPolarHBondContact CA-O 3.17Å; S225-F236 WeakPolarHBondContact CB-O 3.37Å; S225-F236 WeakPolarHBondContact OG-CB 3.08Å; S225-F236 PolarHBondContact OG-O 2.85Å; I231-F236 HydrophobicContact CB-CE2 3.91Å; I231-F236 HydrophobicContact CD1-CD2 4.36Å; I231-F236 HydrophobicContact CD1-CE2 3.79Å; I231-F236 HydrophobicContact CG1-CE2 4.24Å; I231-F236 HydrophobicContact CG2-CE2 4.29Å; V234-F236 HydrophobicContact CG2-CZ 4.28Å
237K86.1Confident76.2Confident65 Ų6554 Ų5428%0.28325%0.252SS..  trans-126.9-47.6177.8-66.9-171.8-179.31780112.4G162 R507G162-K237 PolarHBondContact O-N 3.22Å; K237-R507 WeakPolarHBondContact CE-O 3.42Å; K237-R507 PolarHBondContact NZ-O 2.52Å
238R86Confident73.9Confident64 Ų6457.3 Ų57.324%0.24227%0.272CS..EExtended strand (participates in β ladder)trans-140.5122.3-171.1179.617063.5156.57.7112.5E130 G162 D163 Y164 I240E130-R238 WeakPolarHBondContact OE2-CD 3.21Å; E130-R238 WeakPolarHBondContact OE2-CG 3.19Å; G162-R238 PolarHBondContact O-N 2.76Å; G162-R238 VanDerWaalsContact O-N 3.09Å; D163-R238 CarbonylContact C-O 3.58Å; D163-R238 WeakPolarHBondContact CA-O 2.98Å; D163-R238 IonicContact OD1-CZ 3.89Å; D163-R238 VanDerWaalsContact OD1-CZ 3.27Å; D163-R238 IonicContact OD1-NE 3.29Å; D163-R238 PolarHBondContact OD1-NE 3.16Å; D163-R238 IonicContact OD1-NH2 3.85Å; D163-R238 PolarHBondContact OD1-NH2 3Å; D163-R238 IonicContact OD2-CZ 3.58Å; D163-R238 IonicContact OD2-NE 3.26Å; D163-R238 IonicContact OD2-NH2 3.42Å; D163-R238 PolarHBondContact OD2-NH2 3.23Å; Y164-R238 WeakPolarHBondContact CD1-O 3.44Å; Y164-R238 WeakPolarHBondContact CE1-O 3.34Å; Y164-R238 PolarHBondContact N-O 3.02Å; R238-I240 HydrophobicContact CG-CD1 4.31Å
239P90.4Very high71.7Confident4 Ų459.7 Ų59.73%0.02628%0.284CS..EExtended strand (participates in β ladder)trans-74.2128.7170.326-26.5000110.6E130 Y144 Y164 K241E130-P239 HydrophobicContact CB-CG 4.36Å; E130-P239 WeakPolarHBondContact O-CG 3.29Å; Y144-P239 HydrophobicContact CD1-CB 3.71Å; Y144-P239 HydrophobicContact CD2-CB 4.44Å; Y144-P239 HydrophobicContact CE1-CB 4.36Å; Y144-P239 HydrophobicContact CG-CB 3.77Å; Y164-P239 HydrophobicContact CD2-CB 4.4Å; Y164-P239 HydrophobicContact CE1-CB 4.3Å; Y164-P239 HydrophobicContact CE2-CB 3.63Å; Y164-P239 CarbonylContact O-C 3.57Å; Y164-P239 WeakPolarHBondContact O-CA 3.34Å; Y164-P239 WeakPolarHBondContact OH-CD 3.11Å; P239-K241 PolarHBondContact O-N 3.46Å
240I90.5Very high69.4Low23 Ų2367.7 Ų67.712%0.11833%0.326CS..  trans-87.2102.1172.6-56.8-53.4000108.8Y144 H146 L157 L158 D163 Y164 L165 R238Y144-I240 WeakPolarHBondContact CA-O 3.29Å; Y144-I240 VanDerWaalsContact CB-O 3.28Å; Y144-I240 WeakPolarHBondContact CB-O 3.24Å; H146-I240 PolarHBondContact NE2-O 3.35Å; L157-I240 HydrophobicContact CB-CG2 4.21Å; L157-I240 HydrophobicContact CD2-CG2 4.38Å; L158-I240 HydrophobicContact CD2-CB 4.33Å; L158-I240 HydrophobicContact CD2-CG1 3.73Å; D163-I240 HydrophobicContact CB-CD1 4.04Å; D163-I240 HydrophobicContact CB-CG1 3.98Å; Y164-I240 PolarHBondContact O-N 2.69Å; L165-I240 HydrophobicContact CB-CB 4.47Å; R238-I240 HydrophobicContact CG-CD1 4.31Å
241K86.5Confident67.5Low93 Ų9374.7 Ų74.740%0.40436%0.36SS..  trans-68.4144.4179.9-61.5-176.7177.7175.50110.7S143 P239 E243S143-K241 CarbonylContact O-C 3.56Å; S143-K241 VanDerWaalsContact O-CA 3.31Å; S143-K241 WeakPolarHBondContact O-CA 3.47Å; P239-K241 PolarHBondContact O-N 3.46Å; K241-E243 PolarHBondContact O-N 3.45Å
242H76Confident66.5Low82 Ų8277.9 Ų77.938%0.3838%0.381SS..  trans-68115.4170.1-179.7-76.4000108.4S143 H146 P244S143-H242 PolarHBondContact O-N 3.39Å; H146-H242 VanDerWaalsContact CE1-CA 3.49Å; H146-H242 WeakPolarHBondContact CE1-CA 3.46Å; H146-H242 AromaticContact ND1-CD2 3.72Å; H242-P244 VanDerWaalsContact O-CD 3.29Å; H242-P244 WeakPolarHBondContact O-CD 3.1Å; H242-P244 VanDerWaalsContact O-N 3.09Å
243E60Low64.9Low167 Ų16777.5 Ų77.578%0.7840%0.395SS*.  trans-55.7118.4173.6-72.3-171.9163.300109.1K241 K245K241-E243 PolarHBondContact O-N 3.45Å; E243-K245 PolarHBondContact O-N 3.2Å; E243-K245 VanDerWaalsContact O-N 3.08Å
244P50.5Low62.7Low74 Ų7482.3 Ų82.348%0.48142%0.415SS..  trans-60.3121.7167.524.7-29.1000105.9H242 R246 N258H242-P244 VanDerWaalsContact O-CD 3.29Å; H242-P244 WeakPolarHBondContact O-CD 3.1Å; H242-P244 VanDerWaalsContact O-N 3.09Å; P244-R246 PolarHBondContact O-N 2.79Å; P244-N258 HydrophobicContact CB-CB 4.36Å
245K38.5Very low60.3Low165 Ų16585.5 Ų85.572%0.71744%0.438SS*.  trans-50.2109.9173.2-73.5-178179.3179.40107E243 V247 N258E243-K245 PolarHBondContact O-N 3.2Å; E243-K245 VanDerWaalsContact O-N 3.08Å; K245-V247 PolarHBondContact O-N 3.44Å; K245-N258 PolarHBondContact O-ND2 2.93Å; K245-N258 VanDerWaalsContact O-ND2 3.11Å
246R37.6Very low57.9Low188 Ų18890.4 Ų90.471%0.70946%0.459SS*.  trans-59.4109.8168-87.2-175.6171.4179.6-1.3106P244 V248P244-R246 PolarHBondContact O-N 2.79Å; R246-V248 PolarHBondContact O-N 2.97Å
247V34Very low55.4Low77 Ų7796.6 Ų96.647%0.46749%0.488SS..EExtended strand (participates in β ladder)trans-87.5101.6167.7-177.40000104.5K245 N249 F256K245-V247 PolarHBondContact O-N 3.44Å; V247-N249 PolarHBondContact O-N 3.41Å; V247-F256 PolarHBondContact N-O 2.82Å; V247-F256 PolarHBondContact O-N 3.23Å; V247-F256 VanDerWaalsContact O-N 3.12Å
248V38.8Very low53Low76 Ų7698 Ų9846%0.46150%0.499SS..EExtended strand (participates in β ladder)trans-73.3118.1166.1-177.40000105.8R246 L250R246-V248 PolarHBondContact O-N 2.97Å; V248-L250 PolarHBondContact O-N 3.37Å
249N38.8Very low50.5Low53 Ų5399 Ų9928%0.28351%0.512SS..  trans-65.8104.6169.5-178.1-18.4000107.4V247 M251 T252 G253 E254 F256V247-N249 PolarHBondContact O-N 3.41Å; N249-M251 PolarHBondContact O-N 2.87Å; N249-M251 VanDerWaalsContact O-N 3.07Å; N249-M251 WeakPolarHBondContact OD1-CB 3.47Å; N249-M251 PolarHBondContact OD1-N 2.76Å; N249-T252 WeakPolarHBondContact CB-OG1 3.38Å; N249-T252 VanDerWaalsContact CG-OG1 3.24Å; N249-T252 PolarHBondContact ND2-OG1 3.39Å; N249-T252 PolarHBondContact O-N 3.17Å; N249-T252 VanDerWaalsContact O-N 3.14Å; N249-T252 PolarHBondContact OD1-N 2.87Å; N249-G253 WeakPolarHBondContact O-CA 3.38Å; N249-G253 PolarHBondContact O-N 3.09Å; N249-E254 PolarHBondContact N-O 3.46Å; N249-F256 HydrophobicContact CB-CD2 4.09Å; N249-F256 HydrophobicContact CB-CE2 3.85Å
250L39.5Very low47.7Very low168 Ų168106.4 Ų106.488%0.8854%0.539SS*.THydrogen-bonded Turntrans-60.3-18.9-178.7-71.7167.1000113V248V248-L250 PolarHBondContact O-N 3.37Å
251M45.9Very low44.7Very low180 Ų180109.7 Ų109.789%0.88756%0.562SS**THydrogen-bonded Turntrans-89.3-26.9179.3-60.2-82.9-83.900112.8N249N249-M251 PolarHBondContact O-N 2.87Å; N249-M251 VanDerWaalsContact O-N 3.07Å; N249-M251 WeakPolarHBondContact OD1-CB 3.47Å; N249-M251 PolarHBondContact OD1-N 2.76Å
252T64Low42.1Very low74 Ų74112 Ų11245%0.45458%0.579SS.*THydrogen-bonded Turntrans-114.4-11.5-178.166.20000114.1N249 E254N249-T252 WeakPolarHBondContact CB-OG1 3.38Å; N249-T252 VanDerWaalsContact CG-OG1 3.24Å; N249-T252 PolarHBondContact ND2-OG1 3.39Å; N249-T252 PolarHBondContact O-N 3.17Å; N249-T252 VanDerWaalsContact O-N 3.14Å; N249-T252 PolarHBondContact OD1-N 2.87Å; T252-E254 PolarHBondContact O-N 2.67Å; T252-E254 VanDerWaalsContact O-N 3.14Å; T252-E254 WeakPolarHBondContact OG1-CB 3.45Å; T252-E254 WeakPolarHBondContact OG1-CG 3.26Å; T252-E254 PolarHBondContact OG1-N 2.86Å; T252-E254 PolarHBondContact OG1-OE2 3.44Å
253G43.9Very low39.9Very low59 Ų59116 Ų11661%0.60860%0.595SS**  trans69.1-2-171.300000113.7N249 S255N249-G253 WeakPolarHBondContact O-CA 3.38Å; N249-G253 PolarHBondContact O-N 3.09Å; G253-S255 PolarHBondContact O-N 2.99Å
254E40.1Very low38.5Very low106 Ų106114.1 Ų114.150%0.49560%0.595SS.*  trans-75123.1-179.3-65.2170.3143.900109.5N249 T252 F256N249-E254 PolarHBondContact N-O 3.46Å; T252-E254 PolarHBondContact O-N 2.67Å; T252-E254 VanDerWaalsContact O-N 3.14Å; T252-E254 WeakPolarHBondContact OG1-CB 3.45Å; T252-E254 WeakPolarHBondContact OG1-CG 3.26Å; T252-E254 PolarHBondContact OG1-N 2.86Å; T252-E254 PolarHBondContact OG1-OE2 3.44Å; E254-F256 HydrophobicContact CB-CD2 4.31Å; E254-F256 HydrophobicContact CB-CE2 3.66Å; E254-F256 HydrophobicContact CB-CZ 4Å; E254-F256 PolarHBondContact O-N 3.16Å; E254-F256 WeakPolarHBondContact OE2-CZ 3.21Å
255S39.3Very low37.5Very low69 Ų69115 Ų11548%0.48361%0.609SS.*EExtended strand (participates in β ladder)trans-76.4111.2165.967.20000107.9G253G253-S255 PolarHBondContact O-N 2.99Å
256F40.3Very low36.9Very low107 Ų107110.5 Ų110.547%0.46960%0.598SS.*EExtended strand (participates in β ladder)trans-84.8123.1163.1-64.8-86.8000106.6V247 N249 E254 N258V247-F256 PolarHBondContact N-O 2.82Å; V247-F256 PolarHBondContact O-N 3.23Å; V247-F256 VanDerWaalsContact O-N 3.12Å; N249-F256 HydrophobicContact CB-CD2 4.09Å; N249-F256 HydrophobicContact CB-CE2 3.85Å; E254-F256 HydrophobicContact CB-CD2 4.31Å; E254-F256 HydrophobicContact CB-CE2 3.66Å; E254-F256 HydrophobicContact CB-CZ 4Å; E254-F256 PolarHBondContact O-N 3.16Å; E254-F256 WeakPolarHBondContact OE2-CZ 3.21Å; F256-N258 PolarHBondContact O-N 2.87Å
257E37.5Very low36.9Very low134 Ų134107.6 Ų107.663%0.62660%0.603SS**  trans-55.5132.1151-71.4-174.7163.500105.2V259E257-V259 HydrophobicContact CB-CG2 4.3Å; E257-V259 PolarHBondContact O-N 3.22Å
258N35.9Very low36.8Very low95 Ų95111.9 Ų111.951%0.50862%0.618SS.*  trans-61.888.5155.7-93.7-54.9000104.6P244 K245 F256 R260P244-N258 HydrophobicContact CB-CB 4.36Å; K245-N258 PolarHBondContact O-ND2 2.93Å; K245-N258 VanDerWaalsContact O-ND2 3.11Å; F256-N258 PolarHBondContact O-N 2.87Å; N258-R260 PolarHBondContact O-N 2.92Å
259V32.8Very low36.4Very low85 Ų85111.5 Ų111.552%0.51562%0.623SS.*  trans-60.287165.4-178.60000102.8E257 L262E257-V259 HydrophobicContact CB-CG2 4.3Å; E257-V259 PolarHBondContact O-N 3.22Å; V259-L262 HydrophobicContact CG1-CB 4.03Å; V259-L262 HydrophobicContact CG1-CD1 3.97Å; V259-L262 HydrophobicContact CG1-CG 4.04Å
260R32.2Very low35.8Very low159 Ų159118.2 Ų118.260%0.665%0.652SS**  trans-44.8118.7150.2-118.1-174.6-178.7-171.6-1.3102.6Q140 D141 N258 L262Q140-R260 PolarHBondContact O-NH2 3.11Å; D141-R260 PolarHBondContact O-NH1 2.97Å; N258-R260 PolarHBondContact O-N 2.92Å; R260-L262 PolarHBondContact O-N 2.95Å
261P26.8Very low35.4Very low93 Ų93113.1 Ų113.160%0.60463%0.629SS**  trans-46.1112.1-158.814-28.3000107.5F263P261-F263 PolarHBondContact O-N 3.41Å
262L31.7Very low34.5Very low142 Ų142109.9 Ų109.974%0.74362%0.621SS**  trans-45.8104.6151.9-94.7158.2000101.7V259 R260 T264V259-L262 HydrophobicContact CG1-CB 4.03Å; V259-L262 HydrophobicContact CG1-CD1 3.97Å; V259-L262 HydrophobicContact CG1-CG 4.04Å; R260-L262 PolarHBondContact O-N 2.95Å; L262-T264 PolarHBondContact O-N 2.73Å
263F30.3Very low33.1Very low166 Ų166111.4 Ų111.473%0.72864%0.641SS**  trans-57.2100.1175-82.5-87.6000103.3P261 A265P261-F263 PolarHBondContact O-N 3.41Å; F263-A265 VanDerWaalsContact C-N 3.3Å; F263-A265 PolarHBondContact O-N 3.37Å
264T30.6Very low33.4Very low127 Ų127114.9 Ų114.978%0.77964%0.639SS**  trans-46.1113.4149.737.20000102.8L262 S266L262-T264 PolarHBondContact O-N 2.73Å; T264-S266 PolarHBondContact O-N 2.98Å
265A29.1Very low33.8Very low93 Ų93113 Ų11377%0.76964%0.636SS**  trans-53.694.7173.200000106.2F263 P267F263-A265 VanDerWaalsContact C-N 3.3Å; F263-A265 PolarHBondContact O-N 3.37Å; A265-P267 VanDerWaalsContact O-CD 3.24Å; A265-P267 WeakPolarHBondContact O-CD 3.32Å
266S26Very low34.5Very low69 Ų69112.4 Ų112.448%0.48362%0.624SS.*  trans-66.9117.4158.8163.70000104.3T264 E268T264-S266 PolarHBondContact O-N 2.98Å; S266-E268 PolarHBondContact O-N 3.21Å; S266-E268 PolarHBondContact OG-N 3.01Å
267P36.9Very low35.4Very low128 Ų128110.3 Ų110.383%0.83162%0.623SS**THydrogen-bonded Turntrans-660.8174-15.631.4000112.7A265A265-P267 VanDerWaalsContact O-CD 3.24Å; A265-P267 WeakPolarHBondContact O-CD 3.32Å
268E32.9Very low37.2Very low167 Ų167104.6 Ų104.678%0.7860%0.596SS**THydrogen-bonded Turntrans-1203.9-165-65.6174.8166.400113.9S266 Q270S266-E268 PolarHBondContact O-N 3.21Å; S266-E268 PolarHBondContact OG-N 3.01Å; E268-Q270 PolarHBondContact O-N 3.39Å; E268-Q270 VanDerWaalsContact O-N 3.16Å
269A29.2Very low39.2Very low67 Ų67100.9 Ų100.955%0.55458%0.576SS**  trans-8192.4163.400000108.8V271A269-V271 HydrophobicContact CB-CG2 4.45Å; A269-V271 PolarHBondContact O-N 3.21Å
270Q27Very low41.4Very low194 Ų194104.5 Ų104.591%0.90759%0.585SS**  trans-61.780.5166.4-69.3-173.93.900109.5E268E268-Q270 PolarHBondContact O-N 3.39Å; E268-Q270 VanDerWaalsContact O-N 3.16Å
271V30.2Very low43.6Very low62 Ų62100.2 Ų100.238%0.37657%0.573SS.*  trans-74.2124.1162.6-171.70000105.7W137 A269 A273W137-V271 HydrophobicContact CH2-CB 4.2Å; W137-V271 HydrophobicContact CH2-CG1 3.74Å; W137-V271 HydrophobicContact CH2-CG2 3.6Å; W137-V271 HydrophobicContact CZ2-CG2 3.97Å; W137-V271 HydrophobicContact CZ3-CG1 4.34Å; A269-V271 HydrophobicContact CB-CG2 4.45Å; A269-V271 PolarHBondContact O-N 3.21Å; V271-A273 PolarHBondContact O-N 3.37Å; V271-A273 VanDerWaalsContact O-N 3.16Å
272P28.3Very low46.3Very low111 Ų11198.1 Ų98.172%0.72156%0.559SS**  trans-52.4128.5168.6-15.427.1000107K274P272-K274 VanDerWaalsContact C-N 3.33Å; P272-K274 PolarHBondContact O-N 2.89Å
273A34Very low49Very low106 Ų10691.4 Ų91.488%0.87652%0.524SS*.  trans-49.294.4-173.700000112.3V271V271-A273 PolarHBondContact O-N 3.37Å; V271-A273 VanDerWaalsContact O-N 3.16Å
274K49.9Very low51.8Low132 Ų13283.5 Ų83.557%0.57449%0.489SS*.  trans10.9126.1156.5-65174.5177.2177.90119.1P272 Y276P272-K274 VanDerWaalsContact C-N 3.33Å; P272-K274 PolarHBondContact O-N 2.89Å; K274-Y276 PolarHBondContact O-N 2.97Å
275P49.8Very low54.7Low66 Ų6678.2 Ų78.243%0.42946%0.456SS..THydrogen-bonded Turntrans-70.7-14158.124.6-27.5000113.6
276Y54.1Low57.6Low57 Ų5773.9 Ų73.922%0.22442%0.42CS..THydrogen-bonded Turntrans-95.64.4-169.8-45.3-57.6000117.1L133 E219 K274 L281L133-Y276 HydrophobicContact CD1-CD1 3.22Å; L133-Y276 HydrophobicContact CD1-CE1 3.48Å; L133-Y276 VanDerWaalsContact CD1-CE1 3.48Å; L133-Y276 HydrophobicContact CD1-CG 4.09Å; E219-Y276 HydrophobicContact CG-CE1 3.99Å; E219-Y276 WeakPolarHBondContact OE1-CE1 3.46Å; E219-Y276 PolarHBondContact OE1-OH 2.86Å; K274-Y276 PolarHBondContact O-N 2.97Å; Y276-L281 PolarHBondContact O-N 3.3Å
277S59Low60.8Low64 Ų6470.6 Ų70.645%0.44840%0.398SS..THydrogen-bonded Turntrans-76.7-29.8-176.854.40000113.7
278L75.3Confident63.3Low14 Ų1465.2 Ų65.27%0.07337%0.365CS..THydrogen-bonded Turntrans-74-52.1-175.5-67.5175.1000111.4K280 F362 E370 Y371 Q374 Y375L278-K280 PolarHBondContact O-N 3.34Å; L278-F362 HydrophobicContact CD1-CE1 3.7Å; L278-F362 HydrophobicContact CD1-CZ 4.42Å; L278-E370 HydrophobicContact CB-CG 4.38Å; L278-Y371 HydrophobicContact CD1-CD2 4.34Å; L278-Y371 HydrophobicContact CD2-CD2 4.31Å; L278-Q374 PolarHBondContact O-OE1 3.23Å; L278-Y375 HydrophobicContact CD2-CD2 4.45Å; L278-Y375 HydrophobicContact CD2-CE2 3.68Å
279L78.1Confident65.9Low16 Ų1660 Ų608%0.08434%0.338CS..THydrogen-bonded Turntrans-84.312.5-178.1-60.2178.9000113.5L281 V282 P284 E366 E367 E370L279-L281 VanDerWaalsContact C-N 3.33Å; L279-L281 PolarHBondContact O-N 3.33Å; L279-V282 HydrophobicContact CB-CB 4.41Å; L279-V282 WeakPolarHBondContact CB-O 3.35Å; L279-V282 VanDerWaalsContact O-CB 3.23Å; L279-V282 WeakPolarHBondContact O-CB 3.46Å; L279-V282 WeakPolarHBondContact O-CG2 3.26Å; L279-V282 PolarHBondContact O-N 3.06Å; L279-P284 HydrophobicContact CD1-CB 3.84Å; L279-E366 HydrophobicContact CD2-CG 4.19Å; L279-E367 HydrophobicContact CD1-CG 3.67Å; L279-E367 HydrophobicContact CG-CG 4.09Å; L279-E370 HydrophobicContact CD2-CB 4.04Å; L279-E370 HydrophobicContact CD2-CG 4.03Å
280K77.9Confident68.8Low162 Ų16256.8 Ų56.870%0.70431%0.312SS*.THydrogen-bonded Turntrans49.450.4177.4-58.3176.3-176.3171.10112.9L278 V282L278-K280 PolarHBondContact O-N 3.34Å; K280-V282 VanDerWaalsContact C-N 3.27Å; K280-V282 PolarHBondContact O-N 3.37Å
281L78.2Confident71.8Confident68 Ų6849.9 Ų49.936%0.35628%0.284SS..THydrogen-bonded Turntrans64.518.6-175.1-52.1173.3000115Q132 L133 Y276 L279Q132-L281 CarbonylContact C-O 3.59Å; Q132-L281 VanDerWaalsContact CA-O 3.26Å; Q132-L281 WeakPolarHBondContact CA-O 3.37Å; Q132-L281 HydrophobicContact CB-CB 4.32Å; Q132-L281 HydrophobicContact CG-CB 4.35Å; L133-L281 WeakPolarHBondContact CG-O 3.37Å; L133-L281 PolarHBondContact N-O 3.38Å; Y276-L281 PolarHBondContact O-N 3.3Å; L279-L281 VanDerWaalsContact C-N 3.33Å; L279-L281 PolarHBondContact O-N 3.33Å
282V84Confident74.8Confident49 Ų4947.9 Ų47.930%0.29727%0.27SS..BIsolated β-bridgetrans-95.3137172.2-176.20000109.5L279 K280L279-V282 HydrophobicContact CB-CB 4.41Å; L279-V282 WeakPolarHBondContact CB-O 3.35Å; L279-V282 VanDerWaalsContact O-CB 3.23Å; L279-V282 WeakPolarHBondContact O-CB 3.46Å; L279-V282 WeakPolarHBondContact O-CG2 3.26Å; L279-V282 PolarHBondContact O-N 3.06Å; K280-V282 VanDerWaalsContact C-N 3.27Å; K280-V282 PolarHBondContact O-N 3.37Å
283A88Confident77.9Confident1 Ų142.9 Ų42.91%0.00824%0.237CC..PPolyproline II helixtrans-67.4143.7174.300000111.4L133 K222 S223 R226L133-A283 HydrophobicContact CD2-CB 3.85Å; L133-A283 HydrophobicContact CG-CB 4.43Å; K222-A283 HydrophobicContact CB-CB 3.63Å; S223-A283 VanDerWaalsContact N-CB 3.31Å; R226-A283 VanDerWaalsContact CD-O 3.24Å; R226-A283 WeakPolarHBondContact CD-O 3.31Å; R226-A283 PolarHBondContact NH1-O 3.46Å
284P90Very high80.7Confident1 Ų138.3 Ų38.31%0.00620%0.197CC..PPolyproline II helixtrans-66.4148.5-17626.9-35000112.6L202 V214 S223 L279 N364 E366L202-P284 HydrophobicContact CD1-CG 4.22Å; V214-P284 HydrophobicContact CG1-CG 3.6Å; S223-P284 WeakPolarHBondContact CB-O 3.29Å; S223-P284 PolarHBondContact OG-O 3.43Å; L279-P284 HydrophobicContact CD1-CB 3.84Å; P284-N364 HydrophobicContact CB-CB 4.49Å; P284-N364 WeakPolarHBondContact CB-OD1 3.49Å; P284-E366 WeakPolarHBondContact CA-OE2 3.44Å; P284-E366 HydrophobicContact CB-CB 4.47Å
285L90.4Very high82.6Confident15 Ų1533 Ų338%0.07918%0.18CC..PPolyproline II helixtrans-82.1136.5162.9-74.5171.6000108.9R226 C227 L290 E366R226-L285 HydrophobicContact CB-CD2 4.05Å; R226-L285 HydrophobicContact CG-CD2 3.69Å; R226-L285 HydrophobicContact CG-CG 4.17Å; C227-L285 HydrophobicContact CB-CD2 4.26Å; C227-L285 VanDerWaalsContact SG-CD2 3.51Å; L285-L290 HydrophobicContact CB-CD2 3.74Å; L285-L290 HydrophobicContact CD1-CD2 4.25Å; L285-E366 PolarHBondContact N-OE2 3.09Å
286A91.5Very high84.6Confident2 Ų232.8 Ų32.82%0.01718%0.177CC..PPolyproline II helixtrans-64.9150.4166.500000110.3L202 P203 E212 G288 Y289 L290L202-A286 HydrophobicContact CB-CB 4.16Å; L202-A286 HydrophobicContact CD1-CB 4.42Å; P203-A286 WeakPolarHBondContact O-CB 3.24Å; E212-A286 WeakPolarHBondContact OE2-CA 3.37Å; A286-G288 PolarHBondContact O-N 3.41Å; A286-Y289 HydrophobicContact CB-CD2 4.21Å; A286-Y289 WeakPolarHBondContact O-CA 3.03Å; A286-Y289 PolarHBondContact O-N 2.92Å; A286-L290 PolarHBondContact O-N 3.29Å
287V92.5Very high86.4Confident1 Ų132.6 Ų32.61%0.00618%0.178CC..G310 helixtrans-51.6-37.6-173.769.90000113S208 C210 E212 Y289 L290 Y293 L314 L323 V365S208-V287 WeakPolarHBondContact OG-CG1 3.22Å; C210-V287 HydrophobicContact CB-CG1 4.07Å; E212-V287 WeakPolarHBondContact OE2-CB 3.47Å; E212-V287 WeakPolarHBondContact OE2-CG1 3.32Å; E212-V287 PolarHBondContact OE2-N 3.28Å; V287-Y289 PolarHBondContact O-N 2.99Å; V287-L290 HydrophobicContact CB-CD1 4.39Å; V287-L290 HydrophobicContact CG2-CD1 4.21Å; V287-L290 WeakPolarHBondContact O-CB 3.22Å; V287-L290 PolarHBondContact O-N 2.46Å; V287-L290 VanDerWaalsContact O-N 3.13Å; V287-Y293 HydrophobicContact CG2-CD2 4.04Å; V287-Y293 HydrophobicContact CG2-CE2 4.36Å; V287-Y293 HydrophobicContact CG2-CG 4.31Å; V287-Y293 VanDerWaalsContact O-CB 3.25Å; V287-Y293 WeakPolarHBondContact O-CB 3.32Å; V287-Y293 WeakPolarHBondContact O-CD1 3.11Å; V287-L314 HydrophobicContact CG2-CD1 4.29Å; V287-L323 HydrophobicContact CG2-CD1 4.16Å; V287-L323 HydrophobicContact CG2-CD2 4.16Å; V287-V365 HydrophobicContact CB-CB 4.41Å; V287-V365 HydrophobicContact CB-CG2 4.43Å; V287-V365 HydrophobicContact CG2-CB 4.4Å; V287-V365 HydrophobicContact CG2-CG1 4.38Å; V287-V365 HydrophobicContact CG2-CG2 4.45Å
288G88.6Confident88Confident14 Ų1430.6 Ų30.614%0.14416%0.163CC..G310 helixtrans-65.2-18.9178.600000114.9G205 A286G205-G288 VanDerWaalsContact O-CA 3.27Å; G205-G288 WeakPolarHBondContact O-CA 3.31Å; A286-G288 PolarHBondContact O-N 3.41Å
289Y87.6Confident88.7Confident57 Ų5730.3 Ų30.322%0.22416%0.162CC..G310 helixtrans-105.4-0.6177.9-66.6-87.2000112.8C227 A286 V287 P291C227-Y289 HydrophobicContact CB-CD1 3.8Å; C227-Y289 HydrophobicContact CB-CD2 3.74Å; C227-Y289 HydrophobicContact CB-CE1 4Å; C227-Y289 HydrophobicContact CB-CE2 3.93Å; C227-Y289 HydrophobicContact CB-CG 3.66Å; C227-Y289 WeakPolarHBondContact O-CD1 3.44Å; C227-Y289 WeakPolarHBondContact O-CE1 3.43Å; A286-Y289 HydrophobicContact CB-CD2 4.21Å; A286-Y289 WeakPolarHBondContact O-CA 3.03Å; A286-Y289 PolarHBondContact O-N 2.92Å; V287-Y289 PolarHBondContact O-N 2.99Å; Y289-P291 WeakPolarHBondContact O-CD 3.36Å
290L90.5Very high89.3Confident0 Ų034.5 Ų34.50%019%0.185CC..  trans-68.5127.7175.9-67.6176000110.1L285 A286 V287 Y292 Y293 L314 V365 E366 Q408L285-L290 HydrophobicContact CB-CD2 3.74Å; L285-L290 HydrophobicContact CD1-CD2 4.25Å; A286-L290 PolarHBondContact O-N 3.29Å; V287-L290 HydrophobicContact CB-CD1 4.39Å; V287-L290 HydrophobicContact CG2-CD1 4.21Å; V287-L290 WeakPolarHBondContact O-CB 3.22Å; V287-L290 PolarHBondContact O-N 2.46Å; V287-L290 VanDerWaalsContact O-N 3.13Å; L290-Y292 HydrophobicContact CB-CD2 4.44Å; L290-Y292 HydrophobicContact CB-CE2 4.17Å; L290-Y292 HydrophobicContact CD1-CE2 3.85Å; L290-Y292 HydrophobicContact CD2-CE1 4.44Å; L290-Y292 HydrophobicContact CG-CE2 4.46Å; L290-Y292 PolarHBondContact O-N 2.93Å; L290-Y293 WeakPolarHBondContact O-CB 3.46Å; L290-Y293 PolarHBondContact O-N 3.14Å; L290-L314 HydrophobicContact CD1-CD1 3.92Å; L290-V365 HydrophobicContact CD1-CG1 4.36Å; L290-E366 HydrophobicContact CD2-CB 3.94Å; L290-E366 HydrophobicContact CD2-CG 3.73Å; L290-Q408 PolarHBondContact O-NE2 2.99Å; L290-Q408 PolarHBondContact O-OE1 2.85Å
291P89.9Confident90Very high50 Ų5031.3 Ų31.333%0.32518%0.179SC..THydrogen-bonded Turntrans-58.6-25.1-178.6-27.434.8000114.5Y289 I404 C405Y289-P291 WeakPolarHBondContact O-CD 3.36Å; P291-I404 HydrophobicContact CB-CD1 3.58Å; P291-I404 HydrophobicContact CB-CG2 4.38Å; P291-I404 CarbonylContact O-C 3.53Å; P291-I404 WeakPolarHBondContact O-CA 3.39Å; P291-C405 PolarHBondContact O-N 3.3Å
292Y93.6Very high90.7Very high19 Ų1928.3 Ų28.38%0.07516%0.164CC..THydrogen-bonded Turntrans-99.211.2179.450.2-96.5000113.6L290 H294 F312 L314 I369 P402 V403L290-Y292 HydrophobicContact CB-CD2 4.44Å; L290-Y292 HydrophobicContact CB-CE2 4.17Å; L290-Y292 HydrophobicContact CD1-CE2 3.85Å; L290-Y292 HydrophobicContact CD2-CE1 4.44Å; L290-Y292 HydrophobicContact CG-CE2 4.46Å; L290-Y292 PolarHBondContact O-N 2.93Å; Y292-H294 PolarHBondContact O-CD2 2.8Å; Y292-F312 AromaticContact CD2-CE2 3.97Å; Y292-F312 HydrophobicContact CD2-CE2 3.97Å; Y292-F312 HydrophobicContact CE2-CE2 4.1Å; Y292-F312 HydrophobicContact CG-CE2 4.18Å; Y292-L314 HydrophobicContact CD2-CD1 3.94Å; Y292-L314 HydrophobicContact CD2-CG 3.94Å; Y292-L314 HydrophobicContact CE2-CD1 3.64Å; Y292-L314 HydrophobicContact CE2-CG 4.07Å; Y292-L314 PolarHBondContact O-N 2.96Å; Y292-I369 HydrophobicContact CE2-CG1 4.46Å; Y292-I369 HydrophobicContact CE2-CG2 4.14Å; Y292-P402 HydrophobicContact CD1-CB 3.5Å; Y292-P402 HydrophobicContact CD1-CG 4.47Å; Y292-P402 HydrophobicContact CE1-CB 4.32Å; Y292-P402 HydrophobicContact CG-CB 3.86Å; Y292-V403 WeakPolarHBondContact CA-O 3.3Å
293Y93.7Very high91Very high7 Ų728 Ų283%0.02716%0.157CC..EExtended strand (participates in β ladder)trans-89.6123.1169.2177-115000110.7V287 L290 L314 T316 L323 C405 Q408V287-Y293 HydrophobicContact CG2-CD2 4.04Å; V287-Y293 HydrophobicContact CG2-CE2 4.36Å; V287-Y293 HydrophobicContact CG2-CG 4.31Å; V287-Y293 VanDerWaalsContact O-CB 3.25Å; V287-Y293 WeakPolarHBondContact O-CB 3.32Å; V287-Y293 WeakPolarHBondContact O-CD1 3.11Å; L290-Y293 WeakPolarHBondContact O-CB 3.46Å; L290-Y293 PolarHBondContact O-N 3.14Å; Y293-L314 CarbonylContact C-O 3.55Å; Y293-L314 WeakPolarHBondContact CA-O 3.24Å; Y293-L314 HydrophobicContact CD2-CB 3.92Å; Y293-T316 PolarHBondContact OH-OG1 3.39Å; Y293-L323 HydrophobicContact CD2-CD1 4.29Å; Y293-L323 HydrophobicContact CE2-CD1 3.9Å; Y293-C405 WeakPolarHBondContact O-CB 3.33Å; Y293-Q408 PolarHBondContact O-NE2 3.26Å
294H92.8Very high91.1Very high9 Ų931.1 Ų31.14%0.04219%0.19CC..EExtended strand (participates in β ladder)trans-97.713.2-174.6-72.5-109000113.9Y292 K297 L302 L314 V403 C405Y292-H294 PolarHBondContact O-CD2 2.8Å; H294-K297 WeakPolarHBondContact O-CD 3.44Å; H294-K297 VanDerWaalsContact O-CE 3.26Å; H294-K297 WeakPolarHBondContact O-CE 3.36Å; H294-L302 HydrophobicContact CB-CD1 3.88Å; H294-L302 HydrophobicContact CB-CD2 4.27Å; H294-L314 PolarHBondContact N-O 3.2Å; H294-V403 PolarHBondContact NE2-O 3.39Å; H294-C405 VanDerWaalsContact CE1-CA 3.44Å; H294-C405 WeakPolarHBondContact CE1-CA 3.4Å
295G90.3Very high91.2Very high21 Ų2134.3 Ų34.322%0.21621%0.207CC..EExtended strand (participates in β ladder)trans77.7-158.8-179.600000113.2C315 T316G295-C315 WeakPolarHBondContact O-CA 3.26Å; G295-T316 PolarHBondContact O-N 3.4Å
296V91.3Very high91.3Very high61 Ų6133.6 Ų33.637%0.3720%0.203SC..EExtended strand (participates in β ladder)trans-85.5108.2176.6-175.60000109.1N207 T316 E318N207-V296 HydrophobicContact CB-CG2 3.87Å; V296-T316 CarbonylContact C-O 3.46Å; V296-T316 VanDerWaalsContact CA-O 3.25Å; V296-T316 WeakPolarHBondContact CA-O 3.3Å; V296-T316 HydrophobicContact CG2-CG2 4.23Å; V296-E318 HydrophobicContact CG1-CB 3.87Å
297K91.6Very high91.2Very high53 Ų5341 Ų4123%0.2324%0.235CC..  trans-151.7153.6-177.4-66.3-175.9179.51760110.5H294 L302 T316 D407H294-K297 WeakPolarHBondContact O-CD 3.44Å; H294-K297 VanDerWaalsContact O-CE 3.26Å; H294-K297 WeakPolarHBondContact O-CE 3.36Å; K297-L302 HydrophobicContact CB-CD1 4.22Å; K297-L302 HydrophobicContact CD-CD1 4.44Å; K297-L302 HydrophobicContact CD-CD2 3.79Å; K297-L302 HydrophobicContact CD-CG 4.46Å; K297-T316 PolarHBondContact N-O 3.27Å; K297-T316 VanDerWaalsContact O-O 3.09Å; K297-D407 IonicContact NZ-OD2 2.81Å; K297-D407 PolarHBondContact NZ-OD2 3.02Å
298C91.6Very high91.1Very high22 Ų2243.9 Ų43.915%0.14926%0.255CS..  trans-65.3126.2166.9178.10000111.1D300 T301 E318C298-D300 VanDerWaalsContact C-N 3.26Å; C298-D300 PolarHBondContact O-N 3.37Å; C298-D300 VanDerWaalsContact O-N 3.16Å; C298-T301 HydrophobicContact CB-CG2 4.09Å; C298-T301 WeakPolarHBondContact O-CB 3.33Å; C298-T301 PolarHBondContact O-N 2.93Å; C298-T301 VanDerWaalsContact O-N 3.08Å; C298-T301 PolarHBondContact O-OG1 2.89Å; C298-E318 HydrophobicContact CB-CG 4.1Å; C298-E318 WeakPolarHBondContact CB-OE1 3.41Å; C298-E318 PolarHBondContact N-OE2 2.92Å
299P91.4Very high91Very high8 Ų847.8 Ų47.85%0.05227%0.268CS..G310 helixtrans-48.5-42.1-179.3-33.538.3000114.9T301 L302 Y303 N317 L326P299-T301 PolarHBondContact O-N 2.84Å; P299-T301 VanDerWaalsContact O-N 3.15Å; P299-L302 WeakPolarHBondContact O-CB 3.5Å; P299-L302 PolarHBondContact O-N 2.92Å; P299-Y303 HydrophobicContact CB-CE1 4.29Å; P299-Y303 WeakPolarHBondContact O-CD1 3.35Å; P299-Y303 VanDerWaalsContact O-CE1 3.31Å; P299-Y303 WeakPolarHBondContact O-CE1 3.3Å; P299-N317 HydrophobicContact CG-CB 4.33Å; P299-L326 HydrophobicContact CB-CD1 4.29Å; P299-L326 HydrophobicContact CB-CD2 3.99Å
300D89.7Confident91.2Very high104 Ų10445.1 Ų45.156%0.55626%0.258SS*.G310 helixtrans-59.9-30.4-176.5-67.5-9.7000113.1C298 L302 Y303C298-D300 VanDerWaalsContact C-N 3.26Å; C298-D300 PolarHBondContact O-N 3.37Å; C298-D300 VanDerWaalsContact O-N 3.16Å; D300-L302 PolarHBondContact O-N 2.86Å; D300-Y303 VanDerWaalsContact CA-CE2 3.48Å; D300-Y303 HydrophobicContact CB-CD2 4.48Å; D300-Y303 HydrophobicContact CB-CE2 4Å; D300-Y303 WeakPolarHBondContact OD1-CE2 3.31Å; D300-Y303 PolarHBondContact OD1-OH 2.79Å
301T92.1Very high91.4Very high96 Ų9645.7 Ų45.759%0.58926%0.261SS*.G310 helixtrans-70.4-16.3179.468.90000112.9C298 P299C298-T301 HydrophobicContact CB-CG2 4.09Å; C298-T301 WeakPolarHBondContact O-CB 3.33Å; C298-T301 PolarHBondContact O-N 2.93Å; C298-T301 VanDerWaalsContact O-N 3.08Å; C298-T301 PolarHBondContact O-OG1 2.89Å; P299-T301 PolarHBondContact O-N 2.84Å; P299-T301 VanDerWaalsContact O-N 3.15Å
302L92.9Very high91.7Very high5 Ų543.5 Ų43.53%0.02625%0.246CC..G310 helixtrans-101.5-11.2-174.3-60.9177.4000113.8H294 K297 P299 D300 G304 L305 L313 C315 L326H294-L302 HydrophobicContact CB-CD1 3.88Å; H294-L302 HydrophobicContact CB-CD2 4.27Å; K297-L302 HydrophobicContact CB-CD1 4.22Å; K297-L302 HydrophobicContact CD-CD1 4.44Å; K297-L302 HydrophobicContact CD-CD2 3.79Å; K297-L302 HydrophobicContact CD-CG 4.46Å; P299-L302 WeakPolarHBondContact O-CB 3.5Å; P299-L302 PolarHBondContact O-N 2.92Å; D300-L302 PolarHBondContact O-N 2.86Å; L302-G304 PolarHBondContact O-N 2.99Å; L302-G304 VanDerWaalsContact O-N 3.14Å; L302-L305 HydrophobicContact CB-CD1 4.49Å; L302-L305 HydrophobicContact CD2-CD1 3.68Å; L302-L305 VanDerWaalsContact O-CB 3.31Å; L302-L305 WeakPolarHBondContact O-CB 3.29Å; L302-L305 PolarHBondContact O-N 3.43Å; L302-L313 HydrophobicContact CB-CD1 4.32Å; L302-L313 HydrophobicContact CB-CD2 4.27Å; L302-L313 HydrophobicContact CD1-CD1 3.81Å; L302-C315 HydrophobicContact CD1-CB 3.52Å; L302-L326 HydrophobicContact CB-CD1 3.8Å; L302-L326 HydrophobicContact CD1-CD1 4.33Å
303Y91.1Very high91.9Very high41 Ų4142.6 Ų42.616%0.16124%0.243CC..G310 helixtrans-57.7-33.4-177.1-62.5-17.7000113.6P299 D300 L305 L306 L326 V337 C387P299-Y303 HydrophobicContact CB-CE1 4.29Å; P299-Y303 WeakPolarHBondContact O-CD1 3.35Å; P299-Y303 VanDerWaalsContact O-CE1 3.31Å; P299-Y303 WeakPolarHBondContact O-CE1 3.3Å; D300-Y303 VanDerWaalsContact CA-CE2 3.48Å; D300-Y303 HydrophobicContact CB-CD2 4.48Å; D300-Y303 HydrophobicContact CB-CE2 4Å; D300-Y303 WeakPolarHBondContact OD1-CE2 3.31Å; D300-Y303 PolarHBondContact OD1-OH 2.79Å; Y303-L305 PolarHBondContact O-N 3.07Å; Y303-L306 PolarHBondContact O-N 3.27Å; Y303-L326 HydrophobicContact CD1-CD1 4.06Å; Y303-L326 HydrophobicContact CE1-CD1 3.97Å; Y303-L326 HydrophobicContact CE1-CD2 4.32Å; Y303-V337 HydrophobicContact CD1-CB 4.11Å; Y303-V337 HydrophobicContact CD1-CG1 3.44Å; Y303-V337 VanDerWaalsContact CD1-CG1 3.44Å; Y303-V337 HydrophobicContact CE1-CG1 3.76Å; Y303-V337 HydrophobicContact CG-CB 4.26Å; Y303-V337 HydrophobicContact CG-CG1 4.08Å; Y303-V337 HydrophobicContact CG-CG2 4.48Å; Y303-C387 HydrophobicContact CE2-CB 4.01Å; Y303-C387 WeakPolarHBondContact CE2-SG 3.11Å; Y303-C387 PolarHBondContact OH-SG 2.99Å
304G89.6Confident91.9Very high68 Ų6842.2 Ų42.270%0.70124%0.242SC*.G310 helixtrans-67-13.3177.200000114.8L302L302-G304 PolarHBondContact O-N 2.99Å; L302-G304 VanDerWaalsContact O-N 3.14Å
305L92.5Very high92Very high67 Ų6741.8 Ų41.835%0.35124%0.24SC..G310 helixtrans-83.2-28.7178.8-58.1-178.5000112.8L302 Y303 K307 L313 V403L302-L305 HydrophobicContact CB-CD1 4.49Å; L302-L305 HydrophobicContact CD2-CD1 3.68Å; L302-L305 VanDerWaalsContact O-CB 3.31Å; L302-L305 WeakPolarHBondContact O-CB 3.29Å; L302-L305 PolarHBondContact O-N 3.43Å; Y303-L305 PolarHBondContact O-N 3.07Å; L305-K307 PolarHBondContact O-N 2.8Å; L305-L313 HydrophobicContact CB-CD2 4.19Å; L305-L313 HydrophobicContact CD1-CD2 4.34Å; L305-V403 HydrophobicContact CB-CG1 4.1Å
306L92.4Very high92.2Very high0 Ų041.1 Ų41.10%023%0.231CC..  trans-79.3116.5177.8-53.2170.2000108.2Y303 D311 L313 L326 R328 V337 V403Y303-L306 PolarHBondContact O-N 3.27Å; L306-D311 HydrophobicContact CB-CB 4.18Å; L306-D311 HydrophobicContact CD2-CB 4.1Å; L306-L313 HydrophobicContact CD2-CB 4.43Å; L306-L313 HydrophobicContact CD2-CD2 3.76Å; L306-L313 HydrophobicContact CD2-CG 3.92Å; L306-L313 HydrophobicContact CG-CD2 4.21Å; L306-L326 HydrophobicContact CD1-CB 3.92Å; L306-R328 HydrophobicContact CB-CB 3.65Å; L306-R328 HydrophobicContact CB-CG 4.5Å; L306-R328 HydrophobicContact CD1-CB 4.21Å; L306-R328 HydrophobicContact CG-CB 4.49Å; L306-R328 VanDerWaalsContact O-CD 3.22Å; L306-R328 WeakPolarHBondContact O-CD 3.5Å; L306-R328 PolarHBondContact O-NH1 2.82Å; L306-V337 HydrophobicContact CD1-CB 4.42Å; L306-V337 HydrophobicContact CD1-CG1 3.5Å; L306-V337 HydrophobicContact CD1-CG2 4.03Å; L306-V403 HydrophobicContact CD2-CB 4.36Å; L306-V403 HydrophobicContact CD2-CG2 3.81Å
307K90Very high92.2Very high157 Ų15739 Ų3968%0.68322%0.217SC*.  trans-109.5-36.3-169.7-69.1177.2-175.91730113.5L305 D311 R328L305-K307 PolarHBondContact O-N 2.8Å; K307-D311 WeakPolarHBondContact CA-OD2 3.32Å; K307-D311 PolarHBondContact N-OD2 3.07Å; K307-R328 PolarHBondContact O-NE 3.24Å; K307-R328 PolarHBondContact O-NH1 2.89Å
308S89.1Confident92.2Very high63 Ų6342 Ų4244%0.44123%0.233SC..SBendtrans-117.7164.6-173.4-44.10000111.7G310 D311 R328S308-G310 PolarHBondContact O-N 2.86Å; S308-D311 WeakPolarHBondContact CB-OD1 3.29Å; S308-D311 VanDerWaalsContact N-CG 3.34Å; S308-D311 PolarHBondContact N-OD2 3.18Å; S308-D311 VanDerWaalsContact O-CB 3.31Å; S308-D311 WeakPolarHBondContact O-CB 3.35Å; S308-D311 PolarHBondContact O-N 2.69Å; S308-R328 WeakPolarHBondContact O-CB 3.23Å; S308-R328 WeakPolarHBondContact O-CG 3.2Å
309K88.5Confident92.1Very high95 Ų9547.4 Ų47.441%0.41326%0.258SS..THydrogen-bonded Turntrans-61.2134171.5-175.9-168.2-174.6175.40109.4D311 S330 D396K309-D311 PolarHBondContact O-N 3.29Å; K309-S330 WeakPolarHBondContact CD-OG 3.24Å; K309-D396 WeakPolarHBondContact CE-OD1 3.21Å; K309-D396 IonicContact NZ-OD1 3.99Å; K309-D396 PolarHBondContact NZ-OD1 3.05Å
310G90.8Very high92Very high1 Ų150.6 Ų50.61%0.0128%0.278CS..THydrogen-bonded Turntrans80.81.2-179.800000113.8S308 F312 R328 V400 N401S308-G310 PolarHBondContact O-N 2.86Å; G310-F312 PolarHBondContact O-N 3.16Å; G310-R328 PolarHBondContact N-O 3.12Å; G310-V400 WeakPolarHBondContact O-CA 3.16Å; G310-V400 PolarHBondContact O-N 3.03Å; G310-N401 PolarHBondContact O-N 3.13Å
311D94.8Very high91.9Very high13 Ų1347.9 Ų47.97%0.0727%0.274CS..EExtended strand (participates in β ladder)trans-65.3131.5169.5-74.210.6000109.2L306 K307 S308 K309 L327 R328 N401 V403L306-D311 HydrophobicContact CB-CB 4.18Å; L306-D311 HydrophobicContact CD2-CB 4.1Å; K307-D311 WeakPolarHBondContact CA-OD2 3.32Å; K307-D311 PolarHBondContact N-OD2 3.07Å; S308-D311 WeakPolarHBondContact CB-OD1 3.29Å; S308-D311 VanDerWaalsContact N-CG 3.34Å; S308-D311 PolarHBondContact N-OD2 3.18Å; S308-D311 VanDerWaalsContact O-CB 3.31Å; S308-D311 WeakPolarHBondContact O-CB 3.35Å; S308-D311 PolarHBondContact O-N 2.69Å; K309-D311 PolarHBondContact O-N 3.29Å; D311-L327 WeakPolarHBondContact O-CD1 3.39Å; D311-R328 HydrophobicContact CB-CB 4.44Å; D311-R328 PolarHBondContact O-N 3.2Å; D311-N401 CarbonylContact C-O 3.35Å; D311-N401 VanDerWaalsContact CA-O 3.28Å; D311-N401 WeakPolarHBondContact CA-O 3.39Å; D311-N401 WeakPolarHBondContact OD1-CB 3.36Å; D311-N401 PolarHBondContact OD1-ND2 3.18Å; D311-V403 HydrophobicContact CB-CG2 3.79Å
312F96.2Very high91.9Very high3 Ų346.9 Ų46.91%0.01327%0.266CS..EExtended strand (participates in β ladder)trans-138.7157.217972.1-87.8000113.2Y292 G310 L325 L326 L327 I369 V373 L399 N401 P402 V403Y292-F312 AromaticContact CD2-CE2 3.97Å; Y292-F312 HydrophobicContact CD2-CE2 3.97Å; Y292-F312 HydrophobicContact CE2-CE2 4.1Å; Y292-F312 HydrophobicContact CG-CE2 4.18Å; G310-F312 PolarHBondContact O-N 3.16Å; F312-L325 HydrophobicContact CB-CD1 4.1Å; F312-L325 HydrophobicContact CD2-CD1 3.96Å; F312-L325 HydrophobicContact CG-CD1 4.43Å; F312-L326 CarbonylContact C-O 3.59Å; F312-L326 WeakPolarHBondContact CA-O 3.24Å; F312-L326 WeakPolarHBondContact CB-O 3.23Å; F312-L327 HydrophobicContact CB-CD1 4.17Å; F312-I369 HydrophobicContact CE2-CG2 3.78Å; F312-I369 HydrophobicContact CZ-CG2 4.08Å; F312-V373 HydrophobicContact CE1-CG2 4.17Å; F312-V373 HydrophobicContact CZ-CG2 4.04Å; F312-L399 HydrophobicContact CB-CD2 3.83Å; F312-L399 HydrophobicContact CD1-CB 3.8Å; F312-L399 HydrophobicContact CD1-CD2 4.24Å; F312-L399 HydrophobicContact CD1-CG 4.49Å; F312-L399 HydrophobicContact CE1-CB 3.9Å; F312-L399 HydrophobicContact CG-CB 4.31Å; F312-L399 HydrophobicContact CG-CD2 3.98Å; F312-L399 HydrophobicContact CZ-CB 4.5Å; F312-N401 WeakPolarHBondContact CD1-O 3.23Å; F312-N401 PolarHBondContact N-O 2.86Å; F312-P402 HydrophobicContact CE1-CB 4.03Å; F312-P402 HydrophobicContact CE1-CG 4.45Å; F312-P402 VanDerWaalsContact CE1-N 3.33Å; F312-P402 HydrophobicContact CE2-CB 4.03Å; F312-P402 HydrophobicContact CZ-CB 3.61Å; F312-P402 HydrophobicContact CZ-CG 4.24Å; F312-V403 PolarHBondContact O-N 2.91Å
313L96.7Very high91.9Very high0 Ų047 Ų470%027%0.266CS..EExtended strand (participates in β ladder)trans-152.4163.9171.464.982.3000111.4L302 L305 L306 L326 V403L302-L313 HydrophobicContact CB-CD1 4.32Å; L302-L313 HydrophobicContact CB-CD2 4.27Å; L302-L313 HydrophobicContact CD1-CD1 3.81Å; L305-L313 HydrophobicContact CB-CD2 4.19Å; L305-L313 HydrophobicContact CD1-CD2 4.34Å; L306-L313 HydrophobicContact CD2-CB 4.43Å; L306-L313 HydrophobicContact CD2-CD2 3.76Å; L306-L313 HydrophobicContact CD2-CG 3.92Å; L306-L313 HydrophobicContact CG-CD2 4.21Å; L313-L326 HydrophobicContact CD1-CB 4.06Å; L313-L326 HydrophobicContact CD1-CD1 3.68Å; L313-L326 HydrophobicContact CD1-CG 3.83Å; L313-L326 HydrophobicContact CG-CB 4.18Å; L313-L326 HydrophobicContact CG-CD1 4.41Å; L313-L326 HydrophobicContact CG-CG 4.49Å; L313-L326 PolarHBondContact N-O 3.19Å; L313-L326 PolarHBondContact O-N 2.72Å; L313-V403 HydrophobicContact CB-CB 4.28Å; L313-V403 HydrophobicContact CD2-CB 4.38Å; L313-V403 HydrophobicContact CD2-CG1 4.38Å
314L95.6Very high92Very high0 Ų045.2 Ų45.20%026%0.259CS..EExtended strand (participates in β ladder)trans-108.7145.6173.9-62.8177.6000110.9V287 L290 Y292 Y293 H294 H324 L325 I342 V365 I369V287-L314 HydrophobicContact CG2-CD1 4.29Å; L290-L314 HydrophobicContact CD1-CD1 3.92Å; Y292-L314 HydrophobicContact CD2-CD1 3.94Å; Y292-L314 HydrophobicContact CD2-CG 3.94Å; Y292-L314 HydrophobicContact CE2-CD1 3.64Å; Y292-L314 HydrophobicContact CE2-CG 4.07Å; Y292-L314 PolarHBondContact O-N 2.96Å; Y293-L314 CarbonylContact C-O 3.55Å; Y293-L314 WeakPolarHBondContact CA-O 3.24Å; Y293-L314 HydrophobicContact CD2-CB 3.92Å; H294-L314 PolarHBondContact N-O 3.2Å; L314-H324 CarbonylContact C-O 3.45Å; L314-H324 VanDerWaalsContact CA-O 3.29Å; L314-H324 WeakPolarHBondContact CA-O 3.16Å; L314-L325 HydrophobicContact CD2-CB 3.89Å; L314-L325 HydrophobicContact CD2-CD1 3.81Å; L314-L325 HydrophobicContact CD2-CG 4.46Å; L314-I342 HydrophobicContact CD2-CD1 3.63Å; L314-V365 HydrophobicContact CD1-CG1 3.7Å; L314-I369 HydrophobicContact CD1-CG1 4.43Å; L314-I369 HydrophobicContact CD2-CD1 4.26Å
315C94.2Very high92.3Very high0 Ų042 Ų420%023%0.226CC..EExtended strand (participates in β ladder)trans-149152.4165.968.80000110.6G295 L302 H324G295-C315 WeakPolarHBondContact O-CA 3.26Å; L302-C315 HydrophobicContact CD1-CB 3.52Å; C315-H324 PolarHBondContact N-O 3.2Å; C315-H324 PolarHBondContact O-N 3.19Å
316T93.7Very high92.4Very high6 Ų638.8 Ų38.84%0.03721%0.209CC..EExtended strand (participates in β ladder)trans-88.7124166.5-59.90000107.5Y293 G295 V296 K297 E318 G321 D322Y293-T316 PolarHBondContact OH-OG1 3.39Å; G295-T316 PolarHBondContact O-N 3.4Å; V296-T316 CarbonylContact C-O 3.46Å; V296-T316 VanDerWaalsContact CA-O 3.25Å; V296-T316 WeakPolarHBondContact CA-O 3.3Å; V296-T316 HydrophobicContact CG2-CG2 4.23Å; K297-T316 PolarHBondContact N-O 3.27Å; K297-T316 VanDerWaalsContact O-O 3.09Å; T316-E318 PolarHBondContact O-N 3.28Å; T316-G321 WeakPolarHBondContact CG2-O 3.37Å; T316-D322 CarbonylContact C-O 3.41Å; T316-D322 WeakPolarHBondContact CA-O 3.19Å
317N91.9Very high92.4Very high16 Ų1638.8 Ų38.89%0.08621%0.209CC..  trans-67122.2179.9-175.4-21.8000109.5P299 I319 T320 G321 D322 H324P299-N317 HydrophobicContact CG-CB 4.33Å; N317-I319 PolarHBondContact O-N 2.88Å; N317-I319 WeakPolarHBondContact OD1-CB 3.35Å; N317-I319 PolarHBondContact OD1-N 3.22Å; N317-T320 WeakPolarHBondContact CB-OG1 3.13Å; N317-G321 VanDerWaalsContact O-CA 3.24Å; N317-G321 WeakPolarHBondContact O-CA 3.38Å; N317-G321 PolarHBondContact O-N 2.78Å; N317-D322 PolarHBondContact N-O 3.27Å; N317-H324 PolarHBondContact ND2-NE2 2.75Å
318E91.2Very high92.4Very high118 Ų11834 Ų3455%0.55119%0.187SC*.THydrogen-bonded Turntrans-63-24-178.569.5-171.6-16600113.7V296 C298 T316V296-E318 HydrophobicContact CG1-CB 3.87Å; C298-E318 HydrophobicContact CB-CG 4.1Å; C298-E318 WeakPolarHBondContact CB-OE1 3.41Å; C298-E318 PolarHBondContact N-OE2 2.92Å; T316-E318 PolarHBondContact O-N 3.28Å
319I89.2Confident92.2Very high134 Ų13431 Ų3169%0.68717%0.166SC*.THydrogen-bonded Turntrans-87.6-50.4-177.8-56.2176.8000110.6N317N317-I319 PolarHBondContact O-N 2.88Å; N317-I319 WeakPolarHBondContact OD1-CB 3.35Å; N317-I319 PolarHBondContact OD1-N 3.22Å
320T89Confident91.5Very high76 Ų7628.4 Ų28.447%0.46616%0.16SC..THydrogen-bonded Turntrans-93.9-20.5-173.4700000113.4N317 D322N317-T320 WeakPolarHBondContact CB-OG1 3.13Å; T320-D322 WeakPolarHBondContact CB-OD2 3.28Å; T320-D322 PolarHBondContact O-N 3.35Å; T320-D322 WeakPolarHBondContact OG1-CB 3.2Å; T320-D322 PolarHBondContact OG1-N 2.79Å; T320-D322 PolarHBondContact OG1-OD2 3.07Å
321G89.1Confident90.1Very high46 Ų4629.6 Ų29.647%0.47417%0.167SC..  trans76.4-2.2-171.600000114.1T316 N317T316-G321 WeakPolarHBondContact CG2-O 3.37Å; N317-G321 VanDerWaalsContact O-CA 3.24Å; N317-G321 WeakPolarHBondContact O-CA 3.38Å; N317-G321 PolarHBondContact O-N 2.78Å
322D91.1Very high88.5Confident76 Ų7639.2 Ų39.241%0.40620%0.202SC..  trans-74.7153.1-178.3-60.7-49.3000111.8T316 N317 T320 H324 V341T316-D322 CarbonylContact C-O 3.41Å; T316-D322 WeakPolarHBondContact CA-O 3.19Å; N317-D322 PolarHBondContact N-O 3.27Å; T320-D322 WeakPolarHBondContact CB-OD2 3.28Å; T320-D322 PolarHBondContact O-N 3.35Å; T320-D322 WeakPolarHBondContact OG1-CB 3.2Å; T320-D322 PolarHBondContact OG1-N 2.79Å; T320-D322 PolarHBondContact OG1-OD2 3.07Å; D322-H324 PolarHBondContact O-CD2 2.83Å; D322-V341 HydrophobicContact CB-CG1 3.97Å
323L93.2Very high86.8Confident8 Ų848.4 Ų48.44%0.04225%0.245CC..EExtended strand (participates in β ladder)trans-85.6119.9172.3-175.166.2000109.7V287 Y293 I342 V365V287-L323 HydrophobicContact CG2-CD1 4.16Å; V287-L323 HydrophobicContact CG2-CD2 4.16Å; Y293-L323 HydrophobicContact CD2-CD1 4.29Å; Y293-L323 HydrophobicContact CE2-CD1 3.9Å; L323-I342 HydrophobicContact CB-CB 4.36Å; L323-I342 HydrophobicContact CD2-CB 4.19Å; L323-I342 HydrophobicContact CD2-CD1 3.83Å; L323-I342 HydrophobicContact CD2-CG2 4.33Å; L323-I342 HydrophobicContact CG-CB 4.33Å; L323-I342 HydrophobicContact CG-CD1 4.1Å; L323-I342 PolarHBondContact O-N 2.91Å; L323-V365 HydrophobicContact CD2-CG1 4.1Å; L323-V365 HydrophobicContact CD2-CG2 3.68Å
324H93.7Very high85.3Confident3 Ų352.5 Ų52.51%0.01427%0.267CS..EExtended strand (participates in β ladder)trans-107.7139.3179.6-74.8-118.8000111.4L314 C315 N317 D322 L326 S339 F340L314-H324 CarbonylContact C-O 3.45Å; L314-H324 VanDerWaalsContact CA-O 3.29Å; L314-H324 WeakPolarHBondContact CA-O 3.16Å; C315-H324 PolarHBondContact N-O 3.2Å; C315-H324 PolarHBondContact O-N 3.19Å; N317-H324 PolarHBondContact ND2-NE2 2.75Å; D322-H324 PolarHBondContact O-CD2 2.83Å; H324-L326 HydrophobicContact CB-CD2 4.19Å; H324-S339 PolarHBondContact ND1-OG 2.89Å; H324-F340 CarbonylContact C-O 3.41Å; H324-F340 VanDerWaalsContact CA-O 3.31Å; H324-F340 WeakPolarHBondContact CA-O 3.5Å
325L95Very high84.2Confident0 Ų056.4 Ų56.40%029%0.291CS..EExtended strand (participates in β ladder)trans-101.7116.9164.6171.365.6000108.7F312 L314 S339 F340 I342 L353 I369 V379 L399F312-L325 HydrophobicContact CB-CD1 4.1Å; F312-L325 HydrophobicContact CD2-CD1 3.96Å; F312-L325 HydrophobicContact CG-CD1 4.43Å; L314-L325 HydrophobicContact CD2-CB 3.89Å; L314-L325 HydrophobicContact CD2-CD1 3.81Å; L314-L325 HydrophobicContact CD2-CG 4.46Å; L325-S339 WeakPolarHBondContact O-CA 3.33Å; L325-F340 HydrophobicContact CB-CB 4.38Å; L325-F340 PolarHBondContact N-O 3.36Å; L325-F340 PolarHBondContact O-N 3.26Å; L325-I342 HydrophobicContact CB-CD1 4.33Å; L325-I342 HydrophobicContact CB-CG1 4.36Å; L325-L353 HydrophobicContact CD2-CD1 3.73Å; L325-L353 HydrophobicContact CD2-CD2 4.1Å; L325-I369 HydrophobicContact CD1-CD1 4.17Å; L325-I369 HydrophobicContact CD2-CD1 4.24Å; L325-V379 HydrophobicContact CD2-CG1 4.43Å; L325-V379 HydrophobicContact CD2-CG2 4.22Å; L325-L399 HydrophobicContact CD1-CD1 4.45Å; L325-L399 HydrophobicContact CD1-CD2 4.22Å; L325-L399 HydrophobicContact CD2-CD1 4.17Å; L325-L399 HydrophobicContact CD2-CD2 4.1Å
326L94.3Very high83.7Confident0 Ų057 Ų570%030%0.296CS..EExtended strand (participates in β ladder)trans-98.8131.6174.7-46.8-172.5000109.2P299 L302 Y303 L306 F312 L313 H324 V337 Y338 S339P299-L326 HydrophobicContact CB-CD1 4.29Å; P299-L326 HydrophobicContact CB-CD2 3.99Å; L302-L326 HydrophobicContact CB-CD1 3.8Å; L302-L326 HydrophobicContact CD1-CD1 4.33Å; Y303-L326 HydrophobicContact CD1-CD1 4.06Å; Y303-L326 HydrophobicContact CE1-CD1 3.97Å; Y303-L326 HydrophobicContact CE1-CD2 4.32Å; L306-L326 HydrophobicContact CD1-CB 3.92Å; F312-L326 CarbonylContact C-O 3.59Å; F312-L326 WeakPolarHBondContact CA-O 3.24Å; F312-L326 WeakPolarHBondContact CB-O 3.23Å; L313-L326 HydrophobicContact CD1-CB 4.06Å; L313-L326 HydrophobicContact CD1-CD1 3.68Å; L313-L326 HydrophobicContact CD1-CG 3.83Å; L313-L326 HydrophobicContact CG-CB 4.18Å; L313-L326 HydrophobicContact CG-CD1 4.41Å; L313-L326 HydrophobicContact CG-CG 4.49Å; L313-L326 PolarHBondContact N-O 3.19Å; L313-L326 PolarHBondContact O-N 2.72Å; H324-L326 HydrophobicContact CB-CD2 4.19Å; L326-V337 HydrophobicContact CB-CG1 4.48Å; L326-Y338 CarbonylContact C-O 3.51Å; L326-Y338 WeakPolarHBondContact CA-O 3.05Å; L326-S339 WeakPolarHBondContact CD2-OG 3.4Å
327L93.5Very high83.3Confident0 Ų057.5 Ų57.50%030%0.299CS..EExtended strand (participates in β ladder)trans-133.5128.2-176.9173.959.9000110.4D311 F312 V337 Y338 F340 L397 L399D311-L327 WeakPolarHBondContact O-CD1 3.39Å; F312-L327 HydrophobicContact CB-CD1 4.17Å; L327-V337 WeakPolarHBondContact O-CA 3.41Å; L327-Y338 PolarHBondContact N-O 3.37Å; L327-Y338 PolarHBondContact O-N 2.99Å; L327-F340 HydrophobicContact CB-CE2 4.14Å; L327-F340 HydrophobicContact CD2-CE2 4.18Å; L327-L397 HydrophobicContact CD2-CB 4.11Å; L327-L397 HydrophobicContact CD2-CD2 4.2Å; L327-L397 WeakPolarHBondContact CD2-O 3.31Å; L327-L399 HydrophobicContact CD1-CD2 3.91Å; L327-L399 HydrophobicContact CD2-CD2 4.06Å; L327-L399 HydrophobicContact CG-CD2 4.41Å
328R90.2Very high83.1Confident55 Ų5556.9 Ų56.921%0.20830%0.295CS..EExtended strand (participates in β ladder)trans-91.6133.2170.9179.5168.4-173.5155.83.7110.8L306 K307 S308 G310 D311 T335 A336 V337L306-R328 HydrophobicContact CB-CB 3.65Å; L306-R328 HydrophobicContact CB-CG 4.5Å; L306-R328 HydrophobicContact CD1-CB 4.21Å; L306-R328 HydrophobicContact CG-CB 4.49Å; L306-R328 VanDerWaalsContact O-CD 3.22Å; L306-R328 WeakPolarHBondContact O-CD 3.5Å; L306-R328 PolarHBondContact O-NH1 2.82Å; K307-R328 PolarHBondContact O-NE 3.24Å; K307-R328 PolarHBondContact O-NH1 2.89Å; S308-R328 WeakPolarHBondContact O-CB 3.23Å; S308-R328 WeakPolarHBondContact O-CG 3.2Å; G310-R328 PolarHBondContact N-O 3.12Å; D311-R328 HydrophobicContact CB-CB 4.44Å; D311-R328 PolarHBondContact O-N 3.2Å; R328-T335 VanDerWaalsContact NH2-CB 3.32Å; R328-T335 PolarHBondContact NH2-OG1 3.41Å; R328-A336 WeakPolarHBondContact CA-O 3.41Å; R328-V337 HydrophobicContact CB-CG2 4.37Å
329T84Confident83.1Confident1 Ų151.3 Ų51.31%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-128.9163.3175.9-171.70000111.1V331 T335 A336 Y338 D396 L397T329-V331 HydrophobicContact CG2-CG2 4.44Å; T329-T335 WeakPolarHBondContact O-CA 3.28Å; T329-A336 HydrophobicContact CG2-CB 4.25Å; T329-A336 PolarHBondContact N-O 2.55Å; T329-A336 PolarHBondContact O-N 3.17Å; T329-Y338 HydrophobicContact CG2-CD2 3.52Å; T329-Y338 HydrophobicContact CG2-CE2 3.21Å; T329-D396 WeakPolarHBondContact CB-O 2.93Å; T329-D396 WeakPolarHBondContact OG1-CB 3.28Å; T329-D396 PolarHBondContact OG1-O 3.44Å; T329-L397 HydrophobicContact CG2-CD2 4.28Å
330S73.1Confident83.2Confident41 Ų4145 Ų4529%0.28724%0.237SC..EExtended strand (participates in β ladder)trans-129.4112.1174.263.60000109K309 D334K309-S330 WeakPolarHBondContact CD-OG 3.24Å; S330-D334 CarbonylContact C-O 3.57Å; S330-D334 WeakPolarHBondContact CA-O 3.46Å
331V63.1Low83.4Confident26 Ų2642.5 Ų42.516%0.15822%0.222CC..EExtended strand (participates in β ladder)trans-111.7114.2176.4-176.20000107.5T329 Q333 D334 I393 D396T329-V331 HydrophobicContact CG2-CG2 4.44Å; V331-Q333 VanDerWaalsContact C-N 3.33Å; V331-Q333 PolarHBondContact O-N 2.8Å; V331-D334 PolarHBondContact N-O 3.41Å; V331-D334 PolarHBondContact O-N 3.17Å; V331-I393 HydrophobicContact CG1-CD1 4.22Å; V331-I393 HydrophobicContact CG1-CG1 4.4Å; V331-D396 HydrophobicContact CG2-CB 4.39Å
332R59.4Low83.6Confident215 Ų21540.8 Ų40.881%0.81120%0.202SC*.THydrogen-bonded Turntrans46.550.7173.7-59.1-177178.9-173.9-0.4114D334R332-D334 VanDerWaalsContact C-N 3.34Å; R332-D334 PolarHBondContact O-N 3.11Å
333Q61.1Low83.6Confident195 Ų19539.3 Ų39.391%0.91119%0.192SC*.THydrogen-bonded Turntrans80.7-13-179.2-52.4175.4-9.600116.8V331V331-Q333 VanDerWaalsContact C-N 3.33Å; V331-Q333 PolarHBondContact O-N 2.8Å
334D65.8Low83.5Confident87 Ų8742.6 Ų42.647%0.46521%0.205SC..EExtended strand (participates in β ladder)trans-88.9130.3173.4-72-34.4000110.4S330 V331 R332 R390S330-D334 CarbonylContact C-O 3.57Å; S330-D334 WeakPolarHBondContact CA-O 3.46Å; V331-D334 PolarHBondContact N-O 3.41Å; V331-D334 PolarHBondContact O-N 3.17Å; R332-D334 VanDerWaalsContact C-N 3.34Å; R332-D334 PolarHBondContact O-N 3.11Å; D334-R390 IonicContact OD2-CZ 3.07Å; D334-R390 IonicContact OD2-NH1 3.38Å; D334-R390 PolarHBondContact OD2-NH1 3.07Å
335T72.6Confident83.4Confident82 Ų8245.5 Ų45.550%0.50322%0.218SC..EExtended strand (participates in β ladder)trans-96.2126.4172.859.60000110.6R328 T329R328-T335 VanDerWaalsContact NH2-CB 3.32Å; R328-T335 PolarHBondContact NH2-OG1 3.41Å; T329-T335 WeakPolarHBondContact O-CA 3.28Å
336A82.6Confident83Confident12 Ų1253.8 Ų53.810%0.09925%0.254CS..EExtended strand (participates in β ladder)trans-125.1151.5178.500000110.2R328 T329 Y338 A388R328-A336 WeakPolarHBondContact CA-O 3.41Å; T329-A336 HydrophobicContact CG2-CB 4.25Å; T329-A336 PolarHBondContact N-O 2.55Å; T329-A336 PolarHBondContact O-N 3.17Å; A336-Y338 HydrophobicContact CB-CD2 4.37Å; A336-Y338 HydrophobicContact CB-CE2 3.68Å; A336-A388 HydrophobicContact CB-CB 3.66Å
337V87Confident82.6Confident17 Ų1760 Ų6010%0.10329%0.292CS..EExtended strand (participates in β ladder)trans-111.8132.1171.1-179.70000108.3Y303 L306 L326 L327 R328 C387Y303-V337 HydrophobicContact CD1-CB 4.11Å; Y303-V337 HydrophobicContact CD1-CG1 3.44Å; Y303-V337 VanDerWaalsContact CD1-CG1 3.44Å; Y303-V337 HydrophobicContact CE1-CG1 3.76Å; Y303-V337 HydrophobicContact CG-CB 4.26Å; Y303-V337 HydrophobicContact CG-CG1 4.08Å; Y303-V337 HydrophobicContact CG-CG2 4.48Å; L306-V337 HydrophobicContact CD1-CB 4.42Å; L306-V337 HydrophobicContact CD1-CG1 3.5Å; L306-V337 HydrophobicContact CD1-CG2 4.03Å; L326-V337 HydrophobicContact CB-CG1 4.48Å; L327-V337 WeakPolarHBondContact O-CA 3.41Å; R328-V337 HydrophobicContact CB-CG2 4.37Å; V337-C387 PolarHBondContact O-N 3.3Å
338Y87.6Confident82.2Confident2 Ų262.9 Ų62.91%0.00830%0.304CS..EExtended strand (participates in β ladder)trans-112139.2178.1-71.3-97.2000109L326 L327 T329 A336 F340 T384 V386 R390 P392 L397L326-Y338 CarbonylContact C-O 3.51Å; L326-Y338 WeakPolarHBondContact CA-O 3.05Å; L327-Y338 PolarHBondContact N-O 3.37Å; L327-Y338 PolarHBondContact O-N 2.99Å; T329-Y338 HydrophobicContact CG2-CD2 3.52Å; T329-Y338 HydrophobicContact CG2-CE2 3.21Å; A336-Y338 HydrophobicContact CB-CD2 4.37Å; A336-Y338 HydrophobicContact CB-CE2 3.68Å; Y338-F340 HydrophobicContact CD1-CZ 4.47Å; Y338-F340 HydrophobicContact CG-CZ 4.36Å; Y338-T384 HydrophobicContact CD1-CG2 3.55Å; Y338-T384 HydrophobicContact CE1-CG2 4.27Å; Y338-V386 HydrophobicContact CD1-CB 4.42Å; Y338-V386 HydrophobicContact CD1-CG1 3.96Å; Y338-V386 HydrophobicContact CD1-CG2 4Å; Y338-V386 HydrophobicContact CE1-CB 4.14Å; Y338-V386 HydrophobicContact CE1-CG1 3.39Å; Y338-V386 HydrophobicContact CE1-CG2 3.7Å; Y338-R390 PolarHBondContact OH-O 2.87Å; Y338-P392 HydrophobicContact CD1-CG 4.38Å; Y338-P392 HydrophobicContact CE1-CB 4.07Å; Y338-P392 HydrophobicContact CE1-CG 3.53Å; Y338-P392 HydrophobicContact CE2-CB 4.29Å; Y338-P392 WeakPolarHBondContact OH-CB 3.29Å; Y338-P392 VanDerWaalsContact OH-CD 3.27Å; Y338-P392 WeakPolarHBondContact OH-CD 3.45Å; Y338-L397 HydrophobicContact CD2-CD2 4.04Å; Y338-L397 HydrophobicContact CE2-CD2 4.34Å; Y338-L397 HydrophobicContact CG-CD2 4.22Å
339S90.5Very high82Confident2 Ų262 Ų621%0.01430%0.303CS..EExtended strand (participates in β ladder)trans-114.9120.3173.7-168.70000109.3H324 L325 L326 I385H324-S339 PolarHBondContact ND1-OG 2.89Å; L325-S339 WeakPolarHBondContact O-CA 3.33Å; L326-S339 WeakPolarHBondContact CD2-OG 3.4Å; S339-I385 PolarHBondContact N-O 3.49Å; S339-I385 PolarHBondContact O-N 2.73Å
340F91.4Very high82.3Confident0 Ų062 Ų620%030%0.302CS..EExtended strand (participates in β ladder)trans-111.6133178.1-57.2-86.4000109.4H324 L325 L327 Y338 L353 V379 T384 L397H324-F340 CarbonylContact C-O 3.41Å; H324-F340 VanDerWaalsContact CA-O 3.31Å; H324-F340 WeakPolarHBondContact CA-O 3.5Å; L325-F340 HydrophobicContact CB-CB 4.38Å; L325-F340 PolarHBondContact N-O 3.36Å; L325-F340 PolarHBondContact O-N 3.26Å; L327-F340 HydrophobicContact CB-CE2 4.14Å; L327-F340 HydrophobicContact CD2-CE2 4.18Å; Y338-F340 HydrophobicContact CD1-CZ 4.47Å; Y338-F340 HydrophobicContact CG-CZ 4.36Å; F340-L353 HydrophobicContact CB-CD2 3.94Å; F340-V379 HydrophobicContact CB-CG1 4.24Å; F340-V379 HydrophobicContact CD1-CG1 3.62Å; F340-V379 HydrophobicContact CD2-CB 4.44Å; F340-V379 HydrophobicContact CD2-CG1 3.79Å; F340-V379 HydrophobicContact CE1-CB 4.35Å; F340-V379 HydrophobicContact CE1-CG1 3.79Å; F340-V379 HydrophobicContact CE2-CB 4.17Å; F340-V379 HydrophobicContact CE2-CG1 3.96Å; F340-V379 HydrophobicContact CG-CG1 3.61Å; F340-V379 HydrophobicContact CZ-CB 4.12Å; F340-V379 HydrophobicContact CZ-CG1 3.96Å; F340-T384 HydrophobicContact CD1-CG2 4.25Å; F340-T384 WeakPolarHBondContact CD1-OG1 3.38Å; F340-T384 HydrophobicContact CE1-CG2 3.8Å; F340-T384 VanDerWaalsContact CE1-OG1 3.26Å; F340-T384 WeakPolarHBondContact CE1-OG1 3.46Å; F340-T384 HydrophobicContact CZ-CG2 4.28Å; F340-L397 HydrophobicContact CZ-CD1 4.22Å; F340-L397 HydrophobicContact CZ-CD2 4.3Å
341V92.3Very high83.3Confident24 Ų2460.5 Ų60.515%0.14529%0.291CS..EExtended strand (participates in β ladder)trans-82.8122.8173-179.80000109.3D322 Q343 N383D322-V341 HydrophobicContact CB-CG1 3.97Å; V341-Q343 PolarHBondContact O-N 3.13Å; V341-N383 HydrophobicContact CB-CB 4.42Å; V341-N383 HydrophobicContact CG2-CB 4.43Å
342I93.4Very high84.7Confident10 Ų1060 Ų605%0.05129%0.287CS..EExtended strand (participates in β ladder)trans-76.9114.7168.8-62.5176.7000107.3L314 L323 L325 F351 L353 V365 L368 I369L314-I342 HydrophobicContact CD2-CD1 3.63Å; L323-I342 HydrophobicContact CB-CB 4.36Å; L323-I342 HydrophobicContact CD2-CB 4.19Å; L323-I342 HydrophobicContact CD2-CD1 3.83Å; L323-I342 HydrophobicContact CD2-CG2 4.33Å; L323-I342 HydrophobicContact CG-CB 4.33Å; L323-I342 HydrophobicContact CG-CD1 4.1Å; L323-I342 PolarHBondContact O-N 2.91Å; L325-I342 HydrophobicContact CB-CD1 4.33Å; L325-I342 HydrophobicContact CB-CG1 4.36Å; I342-F351 HydrophobicContact CG2-CB 4.21Å; I342-F351 HydrophobicContact CG2-CD1 4.13Å; I342-L353 HydrophobicContact CG1-CD2 3.75Å; I342-L353 HydrophobicContact CG1-CG 4.21Å; I342-V365 HydrophobicContact CD1-CG1 4.07Å; I342-L368 HydrophobicContact CG2-CD2 3.85Å; I342-I369 HydrophobicContact CD1-CD1 4.47Å
343Q92.3Very high86.2Confident45 Ų4549.9 Ų49.921%0.2125%0.248CC..EExtended strand (participates in β ladder)trans-89.8155.4-177.1-60.9-171.51500110.9V341 F351 F352 N383V341-Q343 PolarHBondContact O-N 3.13Å; Q343-F351 WeakPolarHBondContact O-CA 2.95Å; Q343-F352 HydrophobicContact CB-CD1 3.9Å; Q343-F352 HydrophobicContact CB-CD2 4.04Å; Q343-F352 HydrophobicContact CB-CE1 3.43Å; Q343-F352 VanDerWaalsContact CB-CE1 3.43Å; Q343-F352 HydrophobicContact CB-CE2 3.62Å; Q343-F352 HydrophobicContact CB-CG 4.19Å; Q343-F352 HydrophobicContact CB-CZ 3.3Å; Q343-F352 HydrophobicContact CG-CE2 4.12Å; Q343-F352 HydrophobicContact CG-CZ 4.12Å; Q343-F352 PolarHBondContact N-O 3.41Å; Q343-F352 PolarHBondContact O-N 2.95Å; Q343-N383 PolarHBondContact NE2-ND2 3.45Å; Q343-N383 VanDerWaalsContact NE2-ND2 3.15Å
344Y91.1Very high87.5Confident77 Ų7741.9 Ų41.930%0.30221%0.212SC..EExtended strand (participates in β ladder)trans-120.5118174.6-178-106.3000110.3R197 K346 E349 V350 F351R197-Y344 PolarHBondContact NH1-OH 3.25Å; Y344-K346 HydrophobicContact CD1-CG 4.21Å; Y344-K346 HydrophobicContact CE1-CG 4.48Å; Y344-K346 PolarHBondContact O-N 3.37Å; Y344-E349 VanDerWaalsContact CE2-C 3.47Å; Y344-E349 WeakPolarHBondContact CE2-O 3.13Å; Y344-E349 WeakPolarHBondContact OH-CA 3.33Å; Y344-E349 WeakPolarHBondContact OH-CB 3.43Å; Y344-V350 WeakPolarHBondContact CA-O 3.25Å; Y344-F351 AromaticContact CD2-CD1 3.89Å; Y344-F351 HydrophobicContact CD2-CD1 3.89Å; Y344-F351 HydrophobicContact CD2-CD2 4.25Å; Y344-F351 AromaticContact CD2-CE1 3.69Å; Y344-F351 HydrophobicContact CD2-CE1 3.69Å; Y344-F351 HydrophobicContact CD2-CE2 4.05Å; Y344-F351 HydrophobicContact CD2-CG 4.17Å; Y344-F351 AromaticContact CD2-CZ 3.77Å; Y344-F351 HydrophobicContact CD2-CZ 3.77Å; Y344-F351 HydrophobicContact CE2-CD2 4.5Å; Y344-F351 HydrophobicContact CE2-CE1 4.45Å; Y344-F351 HydrophobicContact CE2-CE2 4.09Å; Y344-F351 HydrophobicContact CE2-CZ 4.07Å; Y344-F351 HydrophobicContact CG-CE1 4.36Å
345H90.2Very high88.5Confident65 Ų6540.7 Ų40.730%0.30121%0.209SC..EExtended strand (participates in β ladder)trans-82.596.6179.5-168.2-53.7000109.8V347 K348 E349 V350 F352H345-V347 VanDerWaalsContact C-N 3.26Å; H345-V347 PolarHBondContact ND1-N 2.59Å; H345-V347 PolarHBondContact O-N 2.67Å; H345-K348 HydrophobicContact CB-CB 4.32Å; H345-K348 PolarHBondContact ND1-N 2.84Å; H345-K348 VanDerWaalsContact ND1-N 3.19Å; H345-K348 PolarHBondContact O-N 2.58Å; H345-E349 VanDerWaalsContact O-CA 3.3Å; H345-E349 WeakPolarHBondContact O-CA 3.23Å; H345-E349 PolarHBondContact O-N 3.01Å; H345-V350 HydrophobicContact CB-CG2 3.95Å; H345-V350 PolarHBondContact N-O 2.93Å; H345-F352 HydrophobicContact CB-CD1 4.08Å; H345-F352 HydrophobicContact CB-CE1 3.75Å
346K87.2Confident89.2Confident174 Ų17440 Ų4076%0.75721%0.208SC*.THydrogen-bonded Turntrans-52.3-34.2-174.1-65.9-176.5-179.8179.60115.9Y344Y344-K346 HydrophobicContact CD1-CG 4.21Å; Y344-K346 HydrophobicContact CE1-CG 4.48Å; Y344-K346 PolarHBondContact O-N 3.37Å
347V85.7Confident89.5Confident130 Ų13039.6 Ų39.679%0.78820%0.204SC*.THydrogen-bonded Turntrans-79.9-48.4-179.2-175.40000112.7H345 E349H345-V347 VanDerWaalsContact C-N 3.26Å; H345-V347 PolarHBondContact ND1-N 2.59Å; H345-V347 PolarHBondContact O-N 2.67Å; V347-E349 VanDerWaalsContact C-N 3.27Å
348K85.4Confident89.5Confident60 Ų6039.1 Ų39.126%0.26120%0.201SC..THydrogen-bonded Turntrans-75.8-16.3176.1-72.6-176.1166.8-168.20113H345 V350 C358 D359 W361H345-K348 HydrophobicContact CB-CB 4.32Å; H345-K348 PolarHBondContact ND1-N 2.84Å; H345-K348 VanDerWaalsContact ND1-N 3.19Å; H345-K348 PolarHBondContact O-N 2.58Å; K348-V350 HydrophobicContact CB-CG1 4.44Å; K348-V350 HydrophobicContact CB-CG2 3.74Å; K348-V350 HydrophobicContact CD-CG2 4.48Å; K348-V350 WeakPolarHBondContact O-CG1 3.5Å; K348-V350 PolarHBondContact O-N 3.36Å; K348-C358 HydrophobicContact CD-CB 3.99Å; K348-C358 PolarHBondContact NZ-O 3.26Å; K348-D359 IonicContact NZ-OD1 3.68Å; K348-D359 PolarHBondContact NZ-OD1 2.9Å; K348-W361 WeakPolarHBondContact O-CZ3 3.2Å
349E86.1Confident89.4Confident38 Ų3844 Ų4418%0.17823%0.228CC..THydrogen-bonded Turntrans6135.3-177.6-55.9-153.7133.400115.2R197 M199 Y344 H345 V347R197-E349 VanDerWaalsContact CD-OE2 3.31Å; R197-E349 WeakPolarHBondContact CD-OE2 3.41Å; R197-E349 WeakPolarHBondContact CG-OE2 3.23Å; R197-E349 VanDerWaalsContact CZ-CD 3.4Å; R197-E349 IonicContact CZ-OE1 3.05Å; R197-E349 IonicContact CZ-OE2 3.31Å; R197-E349 IonicContact NE-OE1 2.84Å; R197-E349 IonicContact NE-OE2 3.86Å; R197-E349 IonicContact NH1-OE1 3.35Å; R197-E349 PolarHBondContact NH1-OE1 2.87Å; R197-E349 IonicContact NH1-OE2 3.39Å; R197-E349 PolarHBondContact NH1-OE2 3.11Å; R197-E349 IonicContact NH2-OE1 2.82Å; R197-E349 PolarHBondContact NH2-OE1 2.86Å; M199-E349 WeakPolarHBondContact CE-OE2 3.36Å; Y344-E349 VanDerWaalsContact CE2-C 3.47Å; Y344-E349 WeakPolarHBondContact CE2-O 3.13Å; Y344-E349 WeakPolarHBondContact OH-CA 3.33Å; Y344-E349 WeakPolarHBondContact OH-CB 3.43Å; H345-E349 VanDerWaalsContact O-CA 3.3Å; H345-E349 WeakPolarHBondContact O-CA 3.23Å; H345-E349 PolarHBondContact O-N 3.01Å; V347-E349 VanDerWaalsContact C-N 3.27Å
350V91.2Very high89.2Confident0 Ų048.7 Ų48.70%025%0.249CC..EExtended strand (participates in β ladder)trans-122150.6-172.9-62.80000112Y344 H345 K348 C358 W361 F362Y344-V350 WeakPolarHBondContact CA-O 3.25Å; H345-V350 HydrophobicContact CB-CG2 3.95Å; H345-V350 PolarHBondContact N-O 2.93Å; K348-V350 HydrophobicContact CB-CG1 4.44Å; K348-V350 HydrophobicContact CB-CG2 3.74Å; K348-V350 HydrophobicContact CD-CG2 4.48Å; K348-V350 WeakPolarHBondContact O-CG1 3.5Å; K348-V350 PolarHBondContact O-N 3.36Å; V350-C358 HydrophobicContact CG2-CB 4.37Å; V350-W361 HydrophobicContact CG1-CB 4.26Å; V350-W361 HydrophobicContact CG1-CD2 4.43Å; V350-W361 HydrophobicContact CG1-CE3 3.95Å; V350-F362 CarbonylContact C-O 3.56Å; V350-F362 VanDerWaalsContact CA-O 3.23Å; V350-F362 WeakPolarHBondContact CA-O 3.43Å; V350-F362 WeakPolarHBondContact CB-O 3.29Å
351F92.9Very high89Confident9 Ų956 Ų564%0.03928%0.277CS..EExtended strand (participates in β ladder)trans-88.6142.8171.8-63.5-85.3000110.6C210 K211 E212 I342 Q343 Y344 F362 T363 V365 L368C210-F351 HydrophobicContact CB-CZ 4.42Å; K211-F351 WeakPolarHBondContact O-CZ 3.19Å; E212-F351 HydrophobicContact CG-CE2 3.83Å; E212-F351 HydrophobicContact CG-CZ 3.91Å; I342-F351 HydrophobicContact CG2-CB 4.21Å; I342-F351 HydrophobicContact CG2-CD1 4.13Å; Q343-F351 WeakPolarHBondContact O-CA 2.95Å; Y344-F351 AromaticContact CD2-CD1 3.89Å; Y344-F351 HydrophobicContact CD2-CD1 3.89Å; Y344-F351 HydrophobicContact CD2-CD2 4.25Å; Y344-F351 AromaticContact CD2-CE1 3.69Å; Y344-F351 HydrophobicContact CD2-CE1 3.69Å; Y344-F351 HydrophobicContact CD2-CE2 4.05Å; Y344-F351 HydrophobicContact CD2-CG 4.17Å; Y344-F351 AromaticContact CD2-CZ 3.77Å; Y344-F351 HydrophobicContact CD2-CZ 3.77Å; Y344-F351 HydrophobicContact CE2-CD2 4.5Å; Y344-F351 HydrophobicContact CE2-CE1 4.45Å; Y344-F351 HydrophobicContact CE2-CE2 4.09Å; Y344-F351 HydrophobicContact CE2-CZ 4.07Å; Y344-F351 HydrophobicContact CG-CE1 4.36Å; F351-F362 PolarHBondContact N-O 3.29Å; F351-T363 WeakPolarHBondContact CE2-O 3.45Å; F351-V365 HydrophobicContact CD1-CG2 4.05Å; F351-V365 HydrophobicContact CD2-CG2 4.41Å; F351-V365 HydrophobicContact CE1-CG2 4.21Å; F351-V365 HydrophobicContact CG-CG2 4.15Å; F351-V365 HydrophobicContact CZ-CG2 4.47Å; F351-L368 HydrophobicContact CB-CD2 3.98Å
352F92.6Very high88.9Confident17 Ų1755.2 Ų55.28%0.07527%0.271CS..EExtended strand (participates in β ladder)trans-151.4152.1179.467.2-82.7000112.7Q343 H345 D357 C358Q343-F352 HydrophobicContact CB-CD1 3.9Å; Q343-F352 HydrophobicContact CB-CD2 4.04Å; Q343-F352 HydrophobicContact CB-CE1 3.43Å; Q343-F352 VanDerWaalsContact CB-CE1 3.43Å; Q343-F352 HydrophobicContact CB-CE2 3.62Å; Q343-F352 HydrophobicContact CB-CG 4.19Å; Q343-F352 HydrophobicContact CB-CZ 3.3Å; Q343-F352 HydrophobicContact CG-CE2 4.12Å; Q343-F352 HydrophobicContact CG-CZ 4.12Å; Q343-F352 PolarHBondContact N-O 3.41Å; Q343-F352 PolarHBondContact O-N 2.95Å; H345-F352 HydrophobicContact CB-CD1 4.08Å; H345-F352 HydrophobicContact CB-CE1 3.75Å; F352-D357 HydrophobicContact CB-CB 3.8Å; F352-C358 VanDerWaalsContact CD1-SG 3.55Å; F352-C358 VanDerWaalsContact CG-SG 3.58Å
353L91.3Very high88.8Confident1 Ų156 Ų561%0.00528%0.276CS..SBendtrans-105.1-41.1168.5-79.2162.5000110.1L325 F340 I342 D357 L368 Y372 V379L325-L353 HydrophobicContact CD2-CD1 3.73Å; L325-L353 HydrophobicContact CD2-CD2 4.1Å; F340-L353 HydrophobicContact CB-CD2 3.94Å; I342-L353 HydrophobicContact CG1-CD2 3.75Å; I342-L353 HydrophobicContact CG1-CG 4.21Å; L353-D357 PolarHBondContact N-OD2 2.91Å; L353-L368 HydrophobicContact CD1-CD2 4.48Å; L353-L368 HydrophobicContact CG-CD2 4.32Å; L353-Y372 HydrophobicContact CB-CE2 4.14Å; L353-Y372 HydrophobicContact CD1-CD2 4.04Å; L353-Y372 HydrophobicContact CD1-CE2 3.75Å; L353-V379 HydrophobicContact CB-CG1 4.49Å; L353-V379 HydrophobicContact CD1-CG1 4.24Å; L353-V379 HydrophobicContact CD2-CG1 4.2Å
354N88.2Confident88.8Confident27 Ų2753.9 Ų53.914%0.14427%0.267CS..SBendtrans-111.8142.1171.9-174.8-54.8000109.8S356 D357 D380N354-S356 VanDerWaalsContact CG-OG 3.28Å; N354-S356 PolarHBondContact O-N 3.49Å; N354-S356 WeakPolarHBondContact OD1-CB 3.16Å; N354-S356 PolarHBondContact OD1-N 2.81Å; N354-S356 PolarHBondContact OD1-OG 3.1Å; N354-D357 PolarHBondContact N-OD2 2.73Å; N354-D357 VanDerWaalsContact O-CB 3.32Å; N354-D357 WeakPolarHBondContact O-CB 3.44Å; N354-D357 VanDerWaalsContact O-CG 3.26Å; N354-D357 PolarHBondContact O-N 2.98Å; N354-D380 PolarHBondContact ND2-OD1 2.53Å; N354-D380 PolarHBondContact ND2-OD2 2.74Å
355P86.8Confident88.9Confident63 Ų6350.2 Ų50.241%0.40925%0.252SS..G310 helixtrans-49.1-31.6173.7-30.636.3000115.3D357 C358 L382P355-D357 VanDerWaalsContact C-N 3.25Å; P355-D357 PolarHBondContact O-N 2.9Å; P355-C358 VanDerWaalsContact O-CB 3.24Å; P355-C358 WeakPolarHBondContact O-CB 3.4Å; P355-C358 PolarHBondContact O-N 3.03Å; P355-L382 HydrophobicContact CG-CD1 3.47Å; P355-L382 VanDerWaalsContact CG-CD1 3.47Å; P355-L382 HydrophobicContact CG-CG 4.23Å
356S86.6Confident89.1Confident67 Ų6747.7 Ų47.747%0.46924%0.241SC..G310 helixtrans-66.5-22.2176.258.10000113.9N354 C358 D359N354-S356 VanDerWaalsContact CG-OG 3.28Å; N354-S356 PolarHBondContact O-N 3.49Å; N354-S356 WeakPolarHBondContact OD1-CB 3.16Å; N354-S356 PolarHBondContact OD1-N 2.81Å; N354-S356 PolarHBondContact OD1-OG 3.1Å; S356-C358 PolarHBondContact O-N 2.99Å; S356-D359 PolarHBondContact O-N 3.49Å
357D89.6Confident89.4Confident4 Ų440.2 Ų40.22%0.02121%0.208CC..G310 helixtrans-67.5-22.4174.6-49.8-30.5000111.5F352 L353 N354 P355 D359 Q360 F362 L368 Y372F352-D357 HydrophobicContact CB-CB 3.8Å; L353-D357 PolarHBondContact N-OD2 2.91Å; N354-D357 PolarHBondContact N-OD2 2.73Å; N354-D357 VanDerWaalsContact O-CB 3.32Å; N354-D357 WeakPolarHBondContact O-CB 3.44Å; N354-D357 VanDerWaalsContact O-CG 3.26Å; N354-D357 PolarHBondContact O-N 2.98Å; P355-D357 VanDerWaalsContact C-N 3.25Å; P355-D357 PolarHBondContact O-N 2.9Å; D357-D359 PolarHBondContact O-N 3.43Å; D357-Q360 WeakPolarHBondContact O-CB 3.4Å; D357-Q360 PolarHBondContact O-N 3.01Å; D357-F362 HydrophobicContact CB-CD2 4.23Å; D357-F362 HydrophobicContact CB-CE2 4.17Å; D357-L368 HydrophobicContact CB-CD1 4.32Å; D357-Y372 PolarHBondContact OD1-OH 2.87Å; D357-Y372 PolarHBondContact OD2-OH 3.21Å; D357-Y372 VanDerWaalsContact OD2-OH 3.13Å
358C87.2Confident89.7Confident7 Ų734 Ų345%0.04717%0.171CC..G310 helixtrans-62.8-14.8178-69.50000113.1K348 V350 F352 P355 S356K348-C358 HydrophobicContact CD-CB 3.99Å; K348-C358 PolarHBondContact NZ-O 3.26Å; V350-C358 HydrophobicContact CG2-CB 4.37Å; F352-C358 VanDerWaalsContact CD1-SG 3.55Å; F352-C358 VanDerWaalsContact CG-SG 3.58Å; P355-C358 VanDerWaalsContact O-CB 3.24Å; P355-C358 WeakPolarHBondContact O-CB 3.4Å; P355-C358 PolarHBondContact O-N 3.03Å; S356-C358 PolarHBondContact O-N 2.99Å
359D86.4Confident90.2Very high105 Ų10531.2 Ų31.256%0.56116%0.159SC*.G310 helixtrans-92.1-9.7175.8-62-25.9000112.3K348 S356 D357K348-D359 IonicContact NZ-OD1 3.68Å; K348-D359 PolarHBondContact NZ-OD1 2.9Å; S356-D359 PolarHBondContact O-N 3.49Å; D357-D359 PolarHBondContact O-N 3.43Å
360Q85.9Confident90.5Very high100 Ų10032.2 Ų32.247%0.46716%0.163SC..THydrogen-bonded Turntrans-89-11.6173.7-57.1-58-53.500113.3D357 F362D357-Q360 WeakPolarHBondContact O-CB 3.4Å; D357-Q360 PolarHBondContact O-N 3.01Å; Q360-F362 HydrophobicContact CB-CD2 3.93Å; Q360-F362 HydrophobicContact CB-CE1 4.01Å; Q360-F362 HydrophobicContact CB-CE2 3.34Å; Q360-F362 HydrophobicContact CB-CZ 3.36Å; Q360-F362 HydrophobicContact CG-CE2 3.86Å; Q360-F362 HydrophobicContact CG-CZ 3.9Å
361W86.5Confident90.5Very high153 Ų15334.3 Ų34.358%0.5817%0.172SC*.THydrogen-bonded Turntrans60.841174.5-67.183.3000116.2K348 V350 T363K348-W361 WeakPolarHBondContact O-CZ3 3.2Å; V350-W361 HydrophobicContact CG1-CB 4.26Å; V350-W361 HydrophobicContact CG1-CD2 4.43Å; V350-W361 HydrophobicContact CG1-CE3 3.95Å; W361-T363 PolarHBondContact O-N 3.33Å; W361-T363 VanDerWaalsContact O-N 3.09Å
362F91.3Very high90.5Very high8 Ų834 Ų344%0.03517%0.17CC..  trans-68.4105.8176.3-56.9-57.6000112.4L278 V350 F351 D357 Q360 E367 L368 Y371L278-F362 HydrophobicContact CD1-CE1 3.7Å; L278-F362 HydrophobicContact CD1-CZ 4.42Å; V350-F362 CarbonylContact C-O 3.56Å; V350-F362 VanDerWaalsContact CA-O 3.23Å; V350-F362 WeakPolarHBondContact CA-O 3.43Å; V350-F362 WeakPolarHBondContact CB-O 3.29Å; F351-F362 PolarHBondContact N-O 3.29Å; D357-F362 HydrophobicContact CB-CD2 4.23Å; D357-F362 HydrophobicContact CB-CE2 4.17Å; Q360-F362 HydrophobicContact CB-CD2 3.93Å; Q360-F362 HydrophobicContact CB-CE1 4.01Å; Q360-F362 HydrophobicContact CB-CE2 3.34Å; Q360-F362 HydrophobicContact CB-CZ 3.36Å; Q360-F362 HydrophobicContact CG-CE2 3.86Å; Q360-F362 HydrophobicContact CG-CZ 3.9Å; F362-E367 HydrophobicContact CD1-CB 3.9Å; F362-L368 HydrophobicContact CB-CB 4.08Å; F362-L368 HydrophobicContact CD2-CB 4.15Å; F362-L368 HydrophobicContact CD2-CD1 3.55Å; F362-L368 HydrophobicContact CD2-CG 4.45Å; F362-L368 HydrophobicContact CE2-CD1 3.89Å; F362-L368 HydrophobicContact CG-CB 4.08Å; F362-L368 HydrophobicContact CG-CD1 4.33Å; F362-Y371 HydrophobicContact CE1-CG 4.25Å; F362-Y371 AromaticContact CE2-CD1 3.81Å; F362-Y371 HydrophobicContact CE2-CD1 3.81Å; F362-Y371 HydrophobicContact CE2-CE1 4.31Å; F362-Y371 HydrophobicContact CE2-CG 4.02Å; F362-Y371 AromaticContact CZ-CD1 3.66Å; F362-Y371 HydrophobicContact CZ-CD1 3.66Å; F362-Y371 AromaticContact CZ-CD2 3.75Å; F362-Y371 HydrophobicContact CZ-CD2 3.75Å; F362-Y371 HydrophobicContact CZ-CE1 4.26Å; F362-Y371 HydrophobicContact CZ-CE2 4.38Å; F362-Y371 AromaticContact CZ-CG 3.38Å; F362-Y371 HydrophobicContact CZ-CG 3.38Å
363T90.3Very high90.5Very high25 Ų2534.7 Ų34.715%0.15318%0.175CC..  trans-89-2.2179.459.10000113.9M199 F213 F351 W361M199-T363 HydrophobicContact SD-CG2 4.26Å; F213-T363 PolarHBondContact N-O 2.97Å; F213-T363 VanDerWaalsContact N-O 3.1Å; F213-T363 WeakPolarHBondContact O-CB 3.3Å; F213-T363 PolarHBondContact O-OG1 3.23Å; F351-T363 WeakPolarHBondContact CE2-O 3.45Å; W361-T363 PolarHBondContact O-N 3.33Å; W361-T363 VanDerWaalsContact O-N 3.09Å
364N92.3Very high90.4Very high1 Ų138.3 Ų38.31%0.00519%0.192CC..SBendtrans-143160.7176.362.883.2000110.5L202 E212 P284 E366 E367L202-N364 HydrophobicContact CD1-CB 4.15Å; E212-N364 HydrophobicContact CB-CB 4.14Å; E212-N364 HydrophobicContact CG-CB 4.39Å; P284-N364 HydrophobicContact CB-CB 4.49Å; P284-N364 WeakPolarHBondContact CB-OD1 3.49Å; N364-E366 PolarHBondContact OD1-N 2.85Å; N364-E367 PolarHBondContact ND2-OE2 2.69Å; N364-E367 WeakPolarHBondContact OD1-CB 3.34Å; N364-E367 WeakPolarHBondContact OD1-CG 3.43Å; N364-E367 PolarHBondContact OD1-N 2.77Å
365V94Very high90.4Very high0 Ų042.7 Ų42.70%021%0.208CC..Hα-helixtrans-78.4-29.3-174.1177.30000112E212 V287 L290 L314 L323 I342 F351 L368 I369E212-V365 PolarHBondContact OE1-N 2.99Å; V287-V365 HydrophobicContact CB-CB 4.41Å; V287-V365 HydrophobicContact CB-CG2 4.43Å; V287-V365 HydrophobicContact CG2-CB 4.4Å; V287-V365 HydrophobicContact CG2-CG1 4.38Å; V287-V365 HydrophobicContact CG2-CG2 4.45Å; L290-V365 HydrophobicContact CD1-CG1 4.36Å; L314-V365 HydrophobicContact CD1-CG1 3.7Å; L323-V365 HydrophobicContact CD2-CG1 4.1Å; L323-V365 HydrophobicContact CD2-CG2 3.68Å; I342-V365 HydrophobicContact CD1-CG1 4.07Å; F351-V365 HydrophobicContact CD1-CG2 4.05Å; F351-V365 HydrophobicContact CD2-CG2 4.41Å; F351-V365 HydrophobicContact CE1-CG2 4.21Å; F351-V365 HydrophobicContact CG-CG2 4.15Å; F351-V365 HydrophobicContact CZ-CG2 4.47Å; V365-L368 PolarHBondContact O-N 2.68Å; V365-I369 HydrophobicContact CG1-CG1 4.08Å; V365-I369 WeakPolarHBondContact O-CG1 3.49Å; V365-I369 PolarHBondContact O-N 2.93Å
366E94.1Very high90.4Very high12 Ų1246 Ų466%0.05621%0.212CC..Hα-helixtrans-63.8-46.8-179.5-164.4179-148.900111.7R226 L279 P284 L285 L290 N364 L368 I369 E370R226-E366 IonicContact CZ-OE1 3.83Å; R226-E366 IonicContact CZ-OE2 3.19Å; R226-E366 IonicContact NH1-OE1 3.02Å; R226-E366 PolarHBondContact NH1-OE1 3Å; R226-E366 IonicContact NH1-OE2 3.93Å; R226-E366 PolarHBondContact NH1-OE2 3.29Å; R226-E366 IonicContact NH2-OE1 3.61Å; R226-E366 PolarHBondContact NH2-OE1 3.42Å; R226-E366 IonicContact NH2-OE2 3.58Å; L279-E366 HydrophobicContact CD2-CG 4.19Å; P284-E366 WeakPolarHBondContact CA-OE2 3.44Å; P284-E366 HydrophobicContact CB-CB 4.47Å; L285-E366 PolarHBondContact N-OE2 3.09Å; L290-E366 HydrophobicContact CD2-CB 3.94Å; L290-E366 HydrophobicContact CD2-CG 3.73Å; N364-E366 PolarHBondContact OD1-N 2.85Å; E366-L368 VanDerWaalsContact C-N 3.33Å; E366-L368 PolarHBondContact O-N 2.74Å; E366-I369 PolarHBondContact O-N 2.72Å; E366-E370 WeakPolarHBondContact O-CB 3.36Å; E366-E370 PolarHBondContact O-N 2.71Å
367E92.3Very high90.4Very high17 Ų1745.6 Ų45.68%0.07920%0.204CC..Hα-helixtrans-62.5-40.4177.5-73.7175.3164.900112.1L279 F362 N364 E370 Y371L279-E367 HydrophobicContact CD1-CG 3.67Å; L279-E367 HydrophobicContact CG-CG 4.09Å; F362-E367 HydrophobicContact CD1-CB 3.9Å; N364-E367 PolarHBondContact ND2-OE2 2.69Å; N364-E367 WeakPolarHBondContact OD1-CB 3.34Å; N364-E367 WeakPolarHBondContact OD1-CG 3.43Å; N364-E367 PolarHBondContact OD1-N 2.77Å; E367-E370 PolarHBondContact O-N 2.94Å; E367-Y371 WeakPolarHBondContact O-CB 3.41Å; E367-Y371 PolarHBondContact O-N 3.38Å
368L93.9Very high90.3Very high0 Ų046.9 Ų46.90%022%0.215CC..Hα-helixtrans-59.1-48.3173.8174.964.9000111I342 F351 L353 D357 F362 V365 E366 Y371 Y372I342-L368 HydrophobicContact CG2-CD2 3.85Å; F351-L368 HydrophobicContact CB-CD2 3.98Å; L353-L368 HydrophobicContact CD1-CD2 4.48Å; L353-L368 HydrophobicContact CG-CD2 4.32Å; D357-L368 HydrophobicContact CB-CD1 4.32Å; F362-L368 HydrophobicContact CB-CB 4.08Å; F362-L368 HydrophobicContact CD2-CB 4.15Å; F362-L368 HydrophobicContact CD2-CD1 3.55Å; F362-L368 HydrophobicContact CD2-CG 4.45Å; F362-L368 HydrophobicContact CE2-CD1 3.89Å; F362-L368 HydrophobicContact CG-CB 4.08Å; F362-L368 HydrophobicContact CG-CD1 4.33Å; V365-L368 PolarHBondContact O-N 2.68Å; E366-L368 VanDerWaalsContact C-N 3.33Å; E366-L368 PolarHBondContact O-N 2.74Å; L368-Y371 WeakPolarHBondContact O-CB 3.39Å; L368-Y371 PolarHBondContact O-N 3.1Å; L368-Y372 HydrophobicContact CD1-CD2 4.19Å; L368-Y372 HydrophobicContact CD1-CE2 3.85Å; L368-Y372 WeakPolarHBondContact O-CD2 3.49Å; L368-Y372 PolarHBondContact O-N 3.13Å
369I94.7Very high90.2Very high1 Ų146.5 Ų46.51%0.00521%0.213CC..Hα-helixtrans-67.4-42.8-179.9-65.7-62.1000111.4Y292 F312 L314 L325 I342 V365 E366 Y371 Y372 V373 L399Y292-I369 HydrophobicContact CE2-CG1 4.46Å; Y292-I369 HydrophobicContact CE2-CG2 4.14Å; F312-I369 HydrophobicContact CE2-CG2 3.78Å; F312-I369 HydrophobicContact CZ-CG2 4.08Å; L314-I369 HydrophobicContact CD1-CG1 4.43Å; L314-I369 HydrophobicContact CD2-CD1 4.26Å; L325-I369 HydrophobicContact CD1-CD1 4.17Å; L325-I369 HydrophobicContact CD2-CD1 4.24Å; I342-I369 HydrophobicContact CD1-CD1 4.47Å; V365-I369 HydrophobicContact CG1-CG1 4.08Å; V365-I369 WeakPolarHBondContact O-CG1 3.49Å; V365-I369 PolarHBondContact O-N 2.93Å; E366-I369 PolarHBondContact O-N 2.72Å; I369-Y371 VanDerWaalsContact C-N 3.28Å; I369-Y371 PolarHBondContact O-N 3.5Å; I369-Y372 PolarHBondContact O-N 2.86Å; I369-V373 HydrophobicContact CG2-CG2 4.24Å; I369-V373 WeakPolarHBondContact O-CG2 3.33Å; I369-V373 PolarHBondContact O-N 3.44Å; I369-L399 HydrophobicContact CD1-CD1 4.01Å; I369-L399 HydrophobicContact CG2-CD1 4.18Å
370E92.3Very high89.7Confident60 Ų6045.1 Ų45.128%0.2821%0.205SC..Hα-helixtrans-63.1-37178.9-169.263.2-15600111.2L278 L279 E366 E367 Y372 V373 Q374L278-E370 HydrophobicContact CB-CG 4.38Å; L279-E370 HydrophobicContact CD2-CB 4.04Å; L279-E370 HydrophobicContact CD2-CG 4.03Å; E366-E370 WeakPolarHBondContact O-CB 3.36Å; E366-E370 PolarHBondContact O-N 2.71Å; E367-E370 PolarHBondContact O-N 2.94Å; E370-Y372 PolarHBondContact O-N 3.04Å; E370-V373 PolarHBondContact O-N 2.82Å; E370-Q374 WeakPolarHBondContact O-CB 3.31Å; E370-Q374 PolarHBondContact O-N 2.82Å
371Y92.3Very high88.5Confident43 Ų4340.9 Ų40.917%0.16919%0.189CC..Hα-helixtrans-54.9-49172.5176.9-111.1000112L278 F362 E367 L368 I369 Y375 L377L278-Y371 HydrophobicContact CD1-CD2 4.34Å; L278-Y371 HydrophobicContact CD2-CD2 4.31Å; F362-Y371 HydrophobicContact CE1-CG 4.25Å; F362-Y371 AromaticContact CE2-CD1 3.81Å; F362-Y371 HydrophobicContact CE2-CD1 3.81Å; F362-Y371 HydrophobicContact CE2-CE1 4.31Å; F362-Y371 HydrophobicContact CE2-CG 4.02Å; F362-Y371 AromaticContact CZ-CD1 3.66Å; F362-Y371 HydrophobicContact CZ-CD1 3.66Å; F362-Y371 AromaticContact CZ-CD2 3.75Å; F362-Y371 HydrophobicContact CZ-CD2 3.75Å; F362-Y371 HydrophobicContact CZ-CE1 4.26Å; F362-Y371 HydrophobicContact CZ-CE2 4.38Å; F362-Y371 AromaticContact CZ-CG 3.38Å; F362-Y371 HydrophobicContact CZ-CG 3.38Å; E367-Y371 WeakPolarHBondContact O-CB 3.41Å; E367-Y371 PolarHBondContact O-N 3.38Å; L368-Y371 WeakPolarHBondContact O-CB 3.39Å; L368-Y371 PolarHBondContact O-N 3.1Å; I369-Y371 VanDerWaalsContact C-N 3.28Å; I369-Y371 PolarHBondContact O-N 3.5Å; Y371-Y375 AromaticContact CD2-CD2 3.41Å; Y371-Y375 HydrophobicContact CD2-CD2 3.41Å; Y371-Y375 VanDerWaalsContact CD2-CD2 3.41Å; Y371-Y375 AromaticContact CD2-CE2 3.54Å; Y371-Y375 HydrophobicContact CD2-CE2 3.54Å; Y371-Y375 AromaticContact CE2-CD2 3.5Å; Y371-Y375 HydrophobicContact CE2-CD2 3.5Å; Y371-Y375 AromaticContact CE2-CE2 3.66Å; Y371-Y375 HydrophobicContact CE2-CE2 3.66Å; Y371-Y375 HydrophobicContact CG-CD2 4.26Å; Y371-Y375 WeakPolarHBondContact O-CD2 3.49Å; Y371-Y375 PolarHBondContact O-N 3.39Å; Y371-Y375 VanDerWaalsContact O-N 3.15Å; Y371-L377 HydrophobicContact CD1-CD1 3.85Å; Y371-L377 HydrophobicContact CE1-CD1 3.22Å; Y371-L377 HydrophobicContact CE2-CD1 4.3Å; Y371-L377 VanDerWaalsContact CZ-CD1 3.47Å
372Y92.9Very high87.2Confident4 Ų439.1 Ų39.12%0.01619%0.19CC..Hα-helixtrans-67.1-37.4177.7-85.6-93000113L353 D357 L368 I369 E370 R376 L377 V379L353-Y372 HydrophobicContact CB-CE2 4.14Å; L353-Y372 HydrophobicContact CD1-CD2 4.04Å; L353-Y372 HydrophobicContact CD1-CE2 3.75Å; D357-Y372 PolarHBondContact OD1-OH 2.87Å; D357-Y372 PolarHBondContact OD2-OH 3.21Å; D357-Y372 VanDerWaalsContact OD2-OH 3.13Å; L368-Y372 HydrophobicContact CD1-CD2 4.19Å; L368-Y372 HydrophobicContact CD1-CE2 3.85Å; L368-Y372 WeakPolarHBondContact O-CD2 3.49Å; L368-Y372 PolarHBondContact O-N 3.13Å; I369-Y372 PolarHBondContact O-N 2.86Å; E370-Y372 PolarHBondContact O-N 3.04Å; Y372-R376 WeakPolarHBondContact O-CA 3.31Å; Y372-R376 PolarHBondContact O-N 3.31Å; Y372-R376 VanDerWaalsContact O-N 3.1Å; Y372-L377 HydrophobicContact CD1-CB 3.71Å; Y372-L377 HydrophobicContact CE1-CB 4Å; Y372-L377 HydrophobicContact CG-CB 4.43Å; Y372-L377 PolarHBondContact O-N 3.47Å; Y372-V379 HydrophobicContact CD1-CG2 3.76Å; Y372-V379 HydrophobicContact CE1-CB 4.42Å; Y372-V379 HydrophobicContact CE1-CG2 3.92Å
373V91.9Very high85.6Confident30 Ų3043 Ų4318%0.18221%0.211CC..Hα-helixtrans-69.8-49.6178.8171.30000111.3F312 I369 E370 R376 L399F312-V373 HydrophobicContact CE1-CG2 4.17Å; F312-V373 HydrophobicContact CZ-CG2 4.04Å; I369-V373 HydrophobicContact CG2-CG2 4.24Å; I369-V373 WeakPolarHBondContact O-CG2 3.33Å; I369-V373 PolarHBondContact O-N 3.44Å; E370-V373 PolarHBondContact O-N 2.82Å; V373-R376 PolarHBondContact O-N 2.92Å; V373-L399 HydrophobicContact CG2-CB 3.73Å; V373-L399 HydrophobicContact CG2-CD1 4.42Å
374Q88.5Confident84.3Confident77 Ų7744.3 Ų44.336%0.3622%0.219SC..Hα-helixtrans-65.6-44.1-175.2179.6172.5-16.200111.8L278 E370L278-Q374 PolarHBondContact O-OE1 3.23Å; E370-Q374 WeakPolarHBondContact O-CB 3.31Å; E370-Q374 PolarHBondContact O-N 2.82Å
375Y87.9Confident82.9Confident119 Ų11948.6 Ų48.647%0.46724%0.241SC..THydrogen-bonded Turntrans-93.21.7-178.7-63.8-64.2000114L278 Y371 L377L278-Y375 HydrophobicContact CD2-CD2 4.45Å; L278-Y375 HydrophobicContact CD2-CE2 3.68Å; Y371-Y375 AromaticContact CD2-CD2 3.41Å; Y371-Y375 HydrophobicContact CD2-CD2 3.41Å; Y371-Y375 VanDerWaalsContact CD2-CD2 3.41Å; Y371-Y375 AromaticContact CD2-CE2 3.54Å; Y371-Y375 HydrophobicContact CD2-CE2 3.54Å; Y371-Y375 AromaticContact CE2-CD2 3.5Å; Y371-Y375 HydrophobicContact CE2-CD2 3.5Å; Y371-Y375 AromaticContact CE2-CE2 3.66Å; Y371-Y375 HydrophobicContact CE2-CE2 3.66Å; Y371-Y375 HydrophobicContact CG-CD2 4.26Å; Y371-Y375 WeakPolarHBondContact O-CD2 3.49Å; Y371-Y375 PolarHBondContact O-N 3.39Å; Y371-Y375 VanDerWaalsContact O-N 3.15Å; Y375-L377 PolarHBondContact O-N 3.03Å
376R87.2Confident81.3Confident134 Ų13451.5 Ų51.551%0.50626%0.259SS..THydrogen-bonded Turntrans52.239.2-179.8-61.8-65-168.8-157.7-2.6112.8Y372 V373 C398 L399Y372-R376 WeakPolarHBondContact O-CA 3.31Å; Y372-R376 PolarHBondContact O-N 3.31Å; Y372-R376 VanDerWaalsContact O-N 3.1Å; V373-R376 PolarHBondContact O-N 2.92Å; R376-C398 PolarHBondContact O-SG 2.79Å; R376-L399 PolarHBondContact NH1-O 2.93Å
377L88.1Confident79.7Confident58 Ų5853.9 Ų53.930%0.30428%0.276SS..  trans-72.9144.3-179.9-59.2176.6000110.4Y371 Y372 Y375Y371-L377 HydrophobicContact CD1-CD1 3.85Å; Y371-L377 HydrophobicContact CE1-CD1 3.22Å; Y371-L377 HydrophobicContact CE2-CD1 4.3Å; Y371-L377 VanDerWaalsContact CZ-CD1 3.47Å; Y372-L377 HydrophobicContact CD1-CB 3.71Å; Y372-L377 HydrophobicContact CE1-CB 4Å; Y372-L377 HydrophobicContact CG-CB 4.43Å; Y372-L377 PolarHBondContact O-N 3.47Å; Y375-L377 PolarHBondContact O-N 3.03Å
378A87.1Confident78Confident30 Ų3054.7 Ų54.725%0.24829%0.286CS..BIsolated β-bridgetrans-74.9133.3171.500000109.6D380 N394 L397A378-D380 PolarHBondContact O-N 2.75Å; A378-N394 HydrophobicContact CB-CB 4.37Å; A378-N394 WeakPolarHBondContact CB-O 3.37Å; A378-L397 HydrophobicContact CB-CB 4.48Å
379V85.4Confident76.1Confident0 Ų063.1 Ų63.10%033%0.331CS..  trans-78.9107.4172-173.80000108.9L325 F340 L353 Y372 L397 L399L325-V379 HydrophobicContact CD2-CG1 4.43Å; L325-V379 HydrophobicContact CD2-CG2 4.22Å; F340-V379 HydrophobicContact CB-CG1 4.24Å; F340-V379 HydrophobicContact CD1-CG1 3.62Å; F340-V379 HydrophobicContact CD2-CB 4.44Å; F340-V379 HydrophobicContact CD2-CG1 3.79Å; F340-V379 HydrophobicContact CE1-CB 4.35Å; F340-V379 HydrophobicContact CE1-CG1 3.79Å; F340-V379 HydrophobicContact CE2-CB 4.17Å; F340-V379 HydrophobicContact CE2-CG1 3.96Å; F340-V379 HydrophobicContact CG-CG1 3.61Å; F340-V379 HydrophobicContact CZ-CB 4.12Å; F340-V379 HydrophobicContact CZ-CG1 3.96Å; L353-V379 HydrophobicContact CB-CG1 4.49Å; L353-V379 HydrophobicContact CD1-CG1 4.24Å; L353-V379 HydrophobicContact CD2-CG1 4.2Å; Y372-V379 HydrophobicContact CD1-CG2 3.76Å; Y372-V379 HydrophobicContact CE1-CB 4.42Å; Y372-V379 HydrophobicContact CE1-CG2 3.92Å; V379-L397 PolarHBondContact N-O 2.86Å; V379-L397 WeakPolarHBondContact O-CD1 3.45Å; V379-L399 HydrophobicContact CG2-CD2 4.08Å; V379-L399 HydrophobicContact CG2-CG 4.22Å
380D73.8Confident74.3Confident75 Ų7571 Ų7140%0.40136%0.36SS..  trans-113.552.7178.165.3-18.5000110.9N354 A378N354-D380 PolarHBondContact ND2-OD1 2.53Å; N354-D380 PolarHBondContact ND2-OD2 2.74Å; A378-D380 PolarHBondContact O-N 2.75Å
381G61.9Low72.8Confident11 Ų1177.4 Ų77.411%0.11339%0.387CS..  trans-65.4140.3-174.600000114N383 T384G381-N383 PolarHBondContact O-N 2.9Å; G381-N383 VanDerWaalsContact O-N 3.16Å; G381-T384 PolarHBondContact O-OG1 2.99Å
382L57.9Low71.1Confident117 Ų11777 Ų7761%0.61339%0.39SS*.SBendtrans-56.5-29.3177.4-75.2168.2000113.7P355P355-L382 HydrophobicContact CG-CD1 3.47Å; P355-L382 VanDerWaalsContact CG-CD1 3.47Å; P355-L382 HydrophobicContact CG-CG 4.23Å
383N59.7Low69.6Low88 Ų8880.6 Ų80.647%0.47141%0.408SS..SBendtrans-119.973.6-175.5-67.9-19.4000110.3V341 Q343 G381V341-N383 HydrophobicContact CB-CB 4.42Å; V341-N383 HydrophobicContact CG2-CB 4.43Å; Q343-N383 PolarHBondContact NE2-ND2 3.45Å; Q343-N383 VanDerWaalsContact NE2-ND2 3.15Å; G381-N383 PolarHBondContact O-N 2.9Å; G381-N383 VanDerWaalsContact O-N 3.16Å
384T63Low68.1Low53 Ų5384 Ų8433%0.32543%0.426SS..EExtended strand (participates in β ladder)trans-92.7119177.6-570000110.2Y338 F340 G381 V386Y338-T384 HydrophobicContact CD1-CG2 3.55Å; Y338-T384 HydrophobicContact CE1-CG2 4.27Å; F340-T384 HydrophobicContact CD1-CG2 4.25Å; F340-T384 WeakPolarHBondContact CD1-OG1 3.38Å; F340-T384 HydrophobicContact CE1-CG2 3.8Å; F340-T384 VanDerWaalsContact CE1-OG1 3.26Å; F340-T384 WeakPolarHBondContact CE1-OG1 3.46Å; F340-T384 HydrophobicContact CZ-CG2 4.28Å; G381-T384 PolarHBondContact O-OG1 2.99Å; T384-V386 HydrophobicContact CG2-CG2 3.9Å
385I61.7Low66.9Low92 Ų9288 Ų8847%0.47244%0.444SS..EExtended strand (participates in β ladder)trans-94.6116.4167-56.3172.6000107.2S339S339-I385 PolarHBondContact N-O 3.49Å; S339-I385 PolarHBondContact O-N 2.73Å
386V61.7Low66.2Low61 Ų6183.6 Ų83.637%0.3743%0.429SS..EExtended strand (participates in β ladder)trans-99.7123.6-178.4-161.10000109.7Y338 T384 A388Y338-V386 HydrophobicContact CD1-CB 4.42Å; Y338-V386 HydrophobicContact CD1-CG1 3.96Å; Y338-V386 HydrophobicContact CD1-CG2 4Å; Y338-V386 HydrophobicContact CE1-CB 4.14Å; Y338-V386 HydrophobicContact CE1-CG1 3.39Å; Y338-V386 HydrophobicContact CE1-CG2 3.7Å; T384-V386 HydrophobicContact CG2-CG2 3.9Å; V386-A388 HydrophobicContact CG1-CB 4.39Å; V386-A388 WeakPolarHBondContact CG1-O 3.46Å; V386-A388 PolarHBondContact O-N 3.12Å
387C58.7Low66Low62 Ų6277.4 Ų77.442%0.41941%0.406SS..SBendtrans-87.313175.3-55.40000112.9Y303 V337Y303-C387 HydrophobicContact CE2-CB 4.01Å; Y303-C387 WeakPolarHBondContact CE2-SG 3.11Å; Y303-C387 PolarHBondContact OH-SG 2.99Å; V337-C387 PolarHBondContact O-N 3.3Å
388A58.3Low66Low34 Ų3475.9 Ų75.928%0.28140%0.4SS..SBendtrans-144.6145.2-17900000110.9A336 V386 R390A336-A388 HydrophobicContact CB-CB 3.66Å; V386-A388 HydrophobicContact CG1-CB 4.39Å; V386-A388 WeakPolarHBondContact CG1-O 3.46Å; V386-A388 PolarHBondContact O-N 3.12Å; A388-R390 PolarHBondContact O-N 3.35Å
389N53.1Low66.3Low177 Ų17774.4 Ų74.495%0.94739%0.388SS*.SBendtrans-74.123.3-170.5-67.6-18000115.3
390R57.3Low66.7Low165 Ų16577.1 Ų77.162%0.62340%0.404SS*.SBendtrans-134.1138.1-173.8-68.2-172.6175.6166.73111.9D334 Y338 A388D334-R390 IonicContact OD2-CZ 3.07Å; D334-R390 IonicContact OD2-NH1 3.38Å; D334-R390 PolarHBondContact OD2-NH1 3.07Å; Y338-R390 PolarHBondContact OH-O 2.87Å; A388-R390 PolarHBondContact O-N 3.35Å
391K59.9Low67.6Low196 Ų19676.9 Ų76.985%0.85240%0.403SS*.PPolyproline II helixtrans-69.5134.5171.5-73-174.9177.1-175.90109.4
392P58.1Low69.2Low35 Ų3579.2 Ų79.223%0.22742%0.416CS..PPolyproline II helixtrans-70.1157.3177.327-29.4000111Y338 L397Y338-P392 HydrophobicContact CD1-CG 4.38Å; Y338-P392 HydrophobicContact CE1-CB 4.07Å; Y338-P392 HydrophobicContact CE1-CG 3.53Å; Y338-P392 HydrophobicContact CE2-CB 4.29Å; Y338-P392 WeakPolarHBondContact OH-CB 3.29Å; Y338-P392 VanDerWaalsContact OH-CD 3.27Å; Y338-P392 WeakPolarHBondContact OH-CD 3.45Å; P392-L397 HydrophobicContact CB-CD1 3.84Å; P392-L397 HydrophobicContact CB-CD2 3.91Å; P392-L397 HydrophobicContact CB-CG 3.97Å; P392-L397 HydrophobicContact CG-CD1 3.63Å; P392-L397 HydrophobicContact CG-CD2 4.29Å; P392-L397 HydrophobicContact CG-CG 4.29Å
393I60Low71Confident78 Ų7874.8 Ų74.840%0.439%0.394SS..PPolyproline II helixtrans-86.1129.6161.2-58173.6000105.8V331 E395 D396V331-I393 HydrophobicContact CG1-CD1 4.22Å; V331-I393 HydrophobicContact CG1-CG1 4.4Å; I393-E395 PolarHBondContact O-N 3.12Å; I393-E395 VanDerWaalsContact O-N 3.11Å; I393-D396 WeakPolarHBondContact O-CB 3.31Å; I393-D396 PolarHBondContact O-N 3.31Å
394N61.7Low72.5Confident101 Ų10173.8 Ų73.854%0.5439%0.388SS..G310 helixtrans-51.1-40.3-171.4-79.6-1.6000113.5A378 D396 L397A378-N394 HydrophobicContact CB-CB 4.37Å; A378-N394 WeakPolarHBondContact CB-O 3.37Å; N394-D396 PolarHBondContact O-N 3.39Å; N394-L397 PolarHBondContact O-N 3.48Å; N394-L397 VanDerWaalsContact O-N 3.14Å
395E61.8Low73.7Confident162 Ų16271.4 Ų71.476%0.75737%0.373SS*.G310 helixtrans-60.1-16.7179.9-63.7177.2-176.100114.3I393I393-E395 PolarHBondContact O-N 3.12Å; I393-E395 VanDerWaalsContact O-N 3.11Å
396D73Confident74.7Confident26 Ų2673.5 Ų73.514%0.13938%0.375CS..G310 helixtrans-91.40.5-178.4-66-39.9000113.7K309 T329 V331 I393 N394K309-D396 WeakPolarHBondContact CE-OD1 3.21Å; K309-D396 IonicContact NZ-OD1 3.99Å; K309-D396 PolarHBondContact NZ-OD1 3.05Å; T329-D396 WeakPolarHBondContact CB-O 2.93Å; T329-D396 WeakPolarHBondContact OG1-CB 3.28Å; T329-D396 PolarHBondContact OG1-O 3.44Å; V331-D396 HydrophobicContact CG2-CB 4.39Å; I393-D396 WeakPolarHBondContact O-CB 3.31Å; I393-D396 PolarHBondContact O-N 3.31Å; N394-D396 PolarHBondContact O-N 3.39Å
397L83.1Confident75.5Confident4 Ų475.5 Ų75.52%0.02138%0.384CS..  trans-106.534.2-174.5-60.8176.6000113.9L327 T329 Y338 F340 A378 V379 P392 N394L327-L397 HydrophobicContact CD2-CB 4.11Å; L327-L397 HydrophobicContact CD2-CD2 4.2Å; L327-L397 WeakPolarHBondContact CD2-O 3.31Å; T329-L397 HydrophobicContact CG2-CD2 4.28Å; Y338-L397 HydrophobicContact CD2-CD2 4.04Å; Y338-L397 HydrophobicContact CE2-CD2 4.34Å; Y338-L397 HydrophobicContact CG-CD2 4.22Å; F340-L397 HydrophobicContact CZ-CD1 4.22Å; F340-L397 HydrophobicContact CZ-CD2 4.3Å; A378-L397 HydrophobicContact CB-CB 4.48Å; V379-L397 PolarHBondContact N-O 2.86Å; V379-L397 WeakPolarHBondContact O-CD1 3.45Å; P392-L397 HydrophobicContact CB-CD1 3.84Å; P392-L397 HydrophobicContact CB-CD2 3.91Å; P392-L397 HydrophobicContact CB-CG 3.97Å; P392-L397 HydrophobicContact CG-CD1 3.63Å; P392-L397 HydrophobicContact CG-CD2 4.29Å; P392-L397 HydrophobicContact CG-CG 4.29Å; N394-L397 PolarHBondContact O-N 3.48Å; N394-L397 VanDerWaalsContact O-N 3.14Å
398C89.1Confident76.3Confident26 Ų2674.7 Ų74.718%0.17637%0.374CS..BIsolated β-bridgetrans-90.2142.2177.2-57.40000111.9R376R376-C398 PolarHBondContact O-SG 2.79Å
399L93.7Very high77.3Confident0 Ų074.5 Ų74.50%037%0.369CS..  trans-76.8125.1172.5-53.2-172.5000110F312 L325 L327 I369 V373 R376 V379F312-L399 HydrophobicContact CB-CD2 3.83Å; F312-L399 HydrophobicContact CD1-CB 3.8Å; F312-L399 HydrophobicContact CD1-CD2 4.24Å; F312-L399 HydrophobicContact CD1-CG 4.49Å; F312-L399 HydrophobicContact CE1-CB 3.9Å; F312-L399 HydrophobicContact CG-CB 4.31Å; F312-L399 HydrophobicContact CG-CD2 3.98Å; F312-L399 HydrophobicContact CZ-CB 4.5Å; L325-L399 HydrophobicContact CD1-CD1 4.45Å; L325-L399 HydrophobicContact CD1-CD2 4.22Å; L325-L399 HydrophobicContact CD2-CD1 4.17Å; L325-L399 HydrophobicContact CD2-CD2 4.1Å; L327-L399 HydrophobicContact CD1-CD2 3.91Å; L327-L399 HydrophobicContact CD2-CD2 4.06Å; L327-L399 HydrophobicContact CG-CD2 4.41Å; I369-L399 HydrophobicContact CD1-CD1 4.01Å; I369-L399 HydrophobicContact CG2-CD1 4.18Å; V373-L399 HydrophobicContact CG2-CB 3.73Å; V373-L399 HydrophobicContact CG2-CD1 4.42Å; R376-L399 PolarHBondContact NH1-O 2.93Å; V379-L399 HydrophobicContact CG2-CD2 4.08Å; V379-L399 HydrophobicContact CG2-CG 4.22Å
400V92.5Very high78.6Confident56 Ų5668.1 Ų68.134%0.33934%0.338SS..  trans-126-58.5-176.8-1710000112.3G310G310-V400 WeakPolarHBondContact O-CA 3.16Å; G310-V400 PolarHBondContact O-N 3.03Å
401N93.6Very high79.8Confident71 Ų7161.5 Ų61.538%0.3832%0.315SS..EExtended strand (participates in β ladder)trans-119.4110.8-172.8-50.1-53.9000110.7G310 D311 F312 V403G310-N401 PolarHBondContact O-N 3.13Å; D311-N401 CarbonylContact C-O 3.35Å; D311-N401 VanDerWaalsContact CA-O 3.28Å; D311-N401 WeakPolarHBondContact CA-O 3.39Å; D311-N401 WeakPolarHBondContact OD1-CB 3.36Å; D311-N401 PolarHBondContact OD1-ND2 3.18Å; F312-N401 WeakPolarHBondContact CD1-O 3.23Å; F312-N401 PolarHBondContact N-O 2.86Å; N401-V403 PolarHBondContact O-N 2.94Å
402P95.6Very high81Confident60 Ų6054 Ų5439%0.3928%0.284SS..EExtended strand (participates in β ladder)trans-66126.7172.524.6-30.9000110.5Y292 F312 I404Y292-P402 HydrophobicContact CD1-CB 3.5Å; Y292-P402 HydrophobicContact CD1-CG 4.47Å; Y292-P402 HydrophobicContact CE1-CB 4.32Å; Y292-P402 HydrophobicContact CG-CB 3.86Å; F312-P402 HydrophobicContact CE1-CB 4.03Å; F312-P402 HydrophobicContact CE1-CG 4.45Å; F312-P402 VanDerWaalsContact CE1-N 3.33Å; F312-P402 HydrophobicContact CE2-CB 4.03Å; F312-P402 HydrophobicContact CZ-CB 3.61Å; F312-P402 HydrophobicContact CZ-CG 4.24Å; P402-I404 PolarHBondContact O-N 3.25Å
403V95.5Very high82.5Confident24 Ų2455 Ų5515%0.14528%0.283CS..  trans-88.3106.4175.6177.90000109.3Y292 H294 L305 L306 D311 F312 L313 N401Y292-V403 WeakPolarHBondContact CA-O 3.3Å; H294-V403 PolarHBondContact NE2-O 3.39Å; L305-V403 HydrophobicContact CB-CG1 4.1Å; L306-V403 HydrophobicContact CD2-CB 4.36Å; L306-V403 HydrophobicContact CD2-CG2 3.81Å; D311-V403 HydrophobicContact CB-CG2 3.79Å; F312-V403 PolarHBondContact O-N 2.91Å; L313-V403 HydrophobicContact CB-CB 4.28Å; L313-V403 HydrophobicContact CD2-CB 4.38Å; L313-V403 HydrophobicContact CD2-CG1 4.38Å; N401-V403 PolarHBondContact O-N 2.94Å
404I91.4Very high84Confident67 Ų6753.4 Ų53.434%0.34428%0.275SS..  trans-64.8136.4-176.2-51.5-60.7000111.5P291 P402 W406 V409P291-I404 HydrophobicContact CB-CD1 3.58Å; P291-I404 HydrophobicContact CB-CG2 4.38Å; P291-I404 CarbonylContact O-C 3.53Å; P291-I404 WeakPolarHBondContact O-CA 3.39Å; P402-I404 PolarHBondContact O-N 3.25Å; I404-W406 PolarHBondContact O-N 3.41Å; I404-V409 HydrophobicContact CG2-CG1 4.06Å; I404-V409 HydrophobicContact CG2-CG2 4.07Å
405C88.3Confident85.4Confident3 Ų350.6 Ų50.62%0.0226%0.259CS..  trans-75.7105.9174.3-171.20000110.8P291 Y293 H294 D407 Q408 V409P291-C405 PolarHBondContact O-N 3.3Å; Y293-C405 WeakPolarHBondContact O-CB 3.33Å; H294-C405 VanDerWaalsContact CE1-CA 3.44Å; H294-C405 WeakPolarHBondContact CE1-CA 3.4Å; C405-D407 PolarHBondContact O-N 2.85Å; C405-Q408 HydrophobicContact CB-CB 4.25Å; C405-Q408 HydrophobicContact CB-CG 3.88Å; C405-Q408 WeakPolarHBondContact O-CB 3.45Å; C405-Q408 PolarHBondContact O-N 3.18Å; C405-V409 PolarHBondContact O-N 3.48Å
406W82Confident86.6Confident135 Ų13551 Ų5151%0.51127%0.266SS..Hα-helixtrans-58.5-30.2177.2-76.3103.3000113.3H6 I404 Q408 V409 S410 Y413H6-W406 AromaticContact CD2-CH2 3.94Å; H6-W406 AromaticContact CD2-CZ3 3.91Å; I404-W406 PolarHBondContact O-N 3.41Å; W406-Q408 PolarHBondContact O-N 3.21Å; W406-V409 HydrophobicContact CE3-CG2 3.95Å; W406-V409 HydrophobicContact CZ3-CG2 4.4Å; W406-V409 PolarHBondContact O-N 3.08Å; W406-S410 WeakPolarHBondContact O-CA 3.39Å; W406-S410 WeakPolarHBondContact O-CB 3.42Å; W406-S410 PolarHBondContact O-N 3.11Å; W406-S410 PolarHBondContact O-OG 2.84Å; W406-Y413 HydrophobicContact CE3-CE2 4.46Å; W406-Y413 AromaticContact CZ3-CE2 3.79Å; W406-Y413 HydrophobicContact CZ3-CE2 3.79Å
407D78.4Confident87.3Confident103 Ų10351.8 Ų51.855%0.55127%0.272SS*.Hα-helixtrans-63.4-31.2176.1-62.7-29.1000111.5K297 C405K297-D407 IonicContact NZ-OD2 2.81Å; K297-D407 PolarHBondContact NZ-OD2 3.02Å; C405-D407 PolarHBondContact O-N 2.85Å
408Q75.8Confident87.3Confident45 Ų4558.1 Ų58.121%0.2131%0.306CS..Hα-helixtrans-80.2-22.2177.3-64.3-169.63.400114.1L290 Y293 C405 W406 H411L290-Q408 PolarHBondContact O-NE2 2.99Å; L290-Q408 PolarHBondContact O-OE1 2.85Å; Y293-Q408 PolarHBondContact O-NE2 3.26Å; C405-Q408 HydrophobicContact CB-CB 4.25Å; C405-Q408 HydrophobicContact CB-CG 3.88Å; C405-Q408 WeakPolarHBondContact O-CB 3.45Å; C405-Q408 PolarHBondContact O-N 3.18Å; W406-Q408 PolarHBondContact O-N 3.21Å; Q408-H411 PolarHBondContact O-CE1 3.48Å; Q408-H411 PolarHBondContact O-ND1 3.11Å
409V78.7Confident87.1Confident30 Ų3060.2 Ų60.218%0.18232%0.315CS..Hα-helixtrans-119.1-16.7-174.6-61.20000114.1I404 C405 W406 H411 L412 Y413I404-V409 HydrophobicContact CG2-CG1 4.06Å; I404-V409 HydrophobicContact CG2-CG2 4.07Å; C405-V409 PolarHBondContact O-N 3.48Å; W406-V409 HydrophobicContact CE3-CG2 3.95Å; W406-V409 HydrophobicContact CZ3-CG2 4.4Å; W406-V409 PolarHBondContact O-N 3.08Å; V409-H411 PolarHBondContact O-N 3.48Å; V409-H411 VanDerWaalsContact O-N 3.08Å; V409-L412 HydrophobicContact CB-CD1 4.33Å; V409-L412 VanDerWaalsContact O-CB 3.29Å; V409-L412 WeakPolarHBondContact O-CB 3.47Å; V409-L412 WeakPolarHBondContact O-CG 3.4Å; V409-L412 PolarHBondContact O-N 3.34Å; V409-Y413 HydrophobicContact CB-CE2 4.44Å; V409-Y413 HydrophobicContact CG2-CE2 4.29Å; V409-Y413 WeakPolarHBondContact O-CD2 3.31Å; V409-Y413 WeakPolarHBondContact O-CE2 3.34Å
410S81Confident86.8Confident43 Ų4364.1 Ų64.130%0.30133%0.334SS..G310 helixtrans-57.8-29-17757.90000112.9W406 L412 Y413W406-S410 WeakPolarHBondContact O-CA 3.39Å; W406-S410 WeakPolarHBondContact O-CB 3.42Å; W406-S410 PolarHBondContact O-N 3.11Å; W406-S410 PolarHBondContact O-OG 2.84Å; S410-L412 PolarHBondContact O-N 3.33Å; S410-Y413 PolarHBondContact O-N 3.17Å
411H82.7Confident86.5Confident27 Ų2764.2 Ų64.213%0.12534%0.336CS..G310 helixtrans-73.9-6.7178.367.6-96.7000114.2Q408 V409 K501 R516 P518Q408-H411 PolarHBondContact O-CE1 3.48Å; Q408-H411 PolarHBondContact O-ND1 3.11Å; V409-H411 PolarHBondContact O-N 3.48Å; V409-H411 VanDerWaalsContact O-N 3.08Å; H411-K501 WeakPolarHBondContact O-CD 3.5Å; H411-K501 VanDerWaalsContact O-CE 3.31Å; H411-K501 WeakPolarHBondContact O-CE 3.27Å; H411-K501 PolarHBondContact O-NZ 3.35Å; H411-R516 PolarHBondContact CD2-O 2.87Å; H411-R516 PolarHBondContact NE2-O 2.8Å; H411-P518 HydrophobicContact CB-CG 3.77Å
412L85.2Confident86.3Confident39 Ų3965.2 Ų65.220%0.20434%0.338CS..G310 helixtrans-86.6-18.3175.2-57.6176.3000112.7L8 P9 V409 S410 I504L8-L412 HydrophobicContact CD2-CB 4.33Å; P9-L412 VanDerWaalsContact CD-O 3.24Å; P9-L412 WeakPolarHBondContact CD-O 3.36Å; V409-L412 HydrophobicContact CB-CD1 4.33Å; V409-L412 VanDerWaalsContact O-CB 3.29Å; V409-L412 WeakPolarHBondContact O-CB 3.47Å; V409-L412 WeakPolarHBondContact O-CG 3.4Å; V409-L412 PolarHBondContact O-N 3.34Å; S410-L412 PolarHBondContact O-N 3.33Å; L412-I504 HydrophobicContact CD2-CG2 3.64Å
413Y88.9Confident86.2Confident55 Ų5562.6 Ų62.622%0.21632%0.321CS..SBendtrans-91.2149.2-177.3-60.1-83.8000111.6H6 L8 W406 V409 S410 K501H6-Y413 HydrophobicContact CB-CD1 3.21Å; H6-Y413 HydrophobicContact CB-CD2 4.37Å; H6-Y413 HydrophobicContact CB-CE1 3.6Å; H6-Y413 HydrophobicContact CB-CG 3.62Å; L8-Y413 HydrophobicContact CD2-CD1 3.71Å; L8-Y413 HydrophobicContact CD2-CE1 3.7Å; L8-Y413 HydrophobicContact CD2-CG 4.39Å; L8-Y413 HydrophobicContact CG-CD1 4.09Å; L8-Y413 HydrophobicContact CG-CE1 3.98Å; W406-Y413 HydrophobicContact CE3-CE2 4.46Å; W406-Y413 AromaticContact CZ3-CE2 3.79Å; W406-Y413 HydrophobicContact CZ3-CE2 3.79Å; V409-Y413 HydrophobicContact CB-CE2 4.44Å; V409-Y413 HydrophobicContact CG2-CE2 4.29Å; V409-Y413 WeakPolarHBondContact O-CD2 3.31Å; V409-Y413 WeakPolarHBondContact O-CE2 3.34Å; S410-Y413 PolarHBondContact O-N 3.17Å; Y413-K501 VanDerWaalsContact O-CE 3.31Å; Y413-K501 WeakPolarHBondContact O-CE 3.45Å
414L91.9Very high86.1Confident44 Ų4463.1 Ų63.123%0.2333%0.326CS..PPolyproline II helixtrans-67.4141.2176.4-59.6176.9000111.1R7 P9 D497 E498 K501R7-L414 HydrophobicContact CB-CD1 4.15Å; R7-L414 WeakPolarHBondContact O-CG 3.21Å; R7-L414 PolarHBondContact O-N 2.94Å; P9-L414 HydrophobicContact CB-CD2 4.14Å; L414-D497 VanDerWaalsContact CA-OD2 3.28Å; L414-D497 WeakPolarHBondContact CA-OD2 3.47Å; L414-E498 HydrophobicContact CD1-CG 4.42Å; L414-E498 VanDerWaalsContact CD2-CA 3.49Å; L414-E498 HydrophobicContact CD2-CB 3.86Å; L414-E498 HydrophobicContact CD2-CG 4.04Å; L414-K501 HydrophobicContact CD2-CB 4.16Å; L414-K501 HydrophobicContact CD2-CG 4.07Å
415E90.9Very high86.2Confident42 Ų4259.9 Ų59.920%0.19631%0.309CS..PPolyproline II helixtrans-86132.8170.2-64-170.6-163.500109.9V417 L423 S424 D497E415-V417 VanDerWaalsContact C-N 3.28Å; E415-V417 HydrophobicContact CB-CG1 4.03Å; E415-V417 PolarHBondContact O-N 3.2Å; E415-L423 HydrophobicContact CB-CD2 4.07Å; E415-S424 VanDerWaalsContact CD-OG 3.29Å; E415-S424 WeakPolarHBondContact OE1-CB 3.47Å; E415-S424 PolarHBondContact OE1-OG 2.81Å; E415-S424 VanDerWaalsContact OE2-CB 3.24Å; E415-S424 WeakPolarHBondContact OE2-CB 3.33Å; E415-S424 PolarHBondContact OE2-N 3.44Å; E415-S424 PolarHBondContact OE2-OG 3.24Å; E415-D497 PolarHBondContact N-OD2 3.34Å
416D86.9Confident86.5Confident171 Ų17161.2 Ų61.291%0.91432%0.315SS*.  trans-77.280.9178-170.618.1000110.2
417V87.5Confident87.1Confident42 Ų4255.8 Ų55.826%0.25530%0.295SS..  trans-126.7150-176.4-61.40000111.8E415 E422 L423E415-V417 VanDerWaalsContact C-N 3.28Å; E415-V417 HydrophobicContact CB-CG1 4.03Å; E415-V417 PolarHBondContact O-N 3.2Å; V417-E422 HydrophobicContact CB-CB 3.72Å; V417-E422 HydrophobicContact CG1-CB 3.77Å; V417-L423 HydrophobicContact CG1-CD2 4.39Å; V417-L423 HydrophobicContact CG2-CD2 3.44Å; V417-L423 VanDerWaalsContact CG2-CD2 3.44Å; V417-L423 HydrophobicContact CG2-CG 4Å
418N83.2Confident87.7Confident138 Ų13851.3 Ų51.374%0.73827%0.273SS*.SBendtrans-88.9-19-178.9-60.6-76.6000113.4E422N418-E422 PolarHBondContact N-OE2 3.15Å; N418-E422 PolarHBondContact ND2-OE2 3.46Å
419N85.5Confident88.5Confident69 Ų6954.2 Ų54.237%0.36930%0.296SS..SBendtrans-153.8162.6-178.557.576.5000110.4C421 E422N419-C421 PolarHBondContact O-N 2.78Å; N419-C421 WeakPolarHBondContact OD1-CA 3.36Å; N419-C421 VanDerWaalsContact OD1-CB 3.31Å; N419-C421 WeakPolarHBondContact OD1-CB 3.17Å; N419-C421 PolarHBondContact OD1-N 3.29Å; N419-C421 VanDerWaalsContact OD1-N 3.11Å; N419-E422 VanDerWaalsContact ND2-CD 3.31Å; N419-E422 PolarHBondContact ND2-OE1 2.91Å; N419-E422 PolarHBondContact O-N 3.3Å; N419-E422 PolarHBondContact OD1-N 3.06Å
420E86.8Confident89.1Confident83 Ų8353.8 Ų53.839%0.38829%0.292SS..G310 helixtrans-59.8-30179.158.2-124.3-159.300114.1E422 L423 F426 L455 V496E420-E422 PolarHBondContact O-N 3.38Å; E420-L423 HydrophobicContact CB-CD1 4.21Å; E420-L423 WeakPolarHBondContact O-CB 3.38Å; E420-L423 WeakPolarHBondContact O-CG 3.43Å; E420-L423 PolarHBondContact O-N 2.91Å; E420-L423 VanDerWaalsContact O-N 3.13Å; E420-F426 WeakPolarHBondContact O-CB 3.4Å; E420-L455 HydrophobicContact CB-CD2 4.44Å; E420-L455 HydrophobicContact CG-CD2 4.44Å; E420-V496 HydrophobicContact CB-CG1 3.78Å
421C87.6Confident89.6Confident58 Ų5855.2 Ų55.239%0.39230%0.299SS..G310 helixtrans-70.9-10.6-179.4-55.90000114N419 F426N419-C421 PolarHBondContact O-N 2.78Å; N419-C421 WeakPolarHBondContact OD1-CA 3.36Å; N419-C421 VanDerWaalsContact OD1-CB 3.31Å; N419-C421 WeakPolarHBondContact OD1-CB 3.17Å; N419-C421 PolarHBondContact OD1-N 3.29Å; N419-C421 VanDerWaalsContact OD1-N 3.11Å; C421-F426 VanDerWaalsContact CA-CD1 3.48Å; C421-F426 HydrophobicContact CB-CD1 4.11Å; C421-F426 HydrophobicContact CB-CE1 3.83Å
422E89.6Confident90Very high91 Ų9156.4 Ų56.443%0.42531%0.306SS..G310 helixtrans-93.2-11.1175.7-77.6168.9-16000112.7V417 N418 N419 E420 S424V417-E422 HydrophobicContact CB-CB 3.72Å; V417-E422 HydrophobicContact CG1-CB 3.77Å; N418-E422 PolarHBondContact N-OE2 3.15Å; N418-E422 PolarHBondContact ND2-OE2 3.46Å; N419-E422 VanDerWaalsContact ND2-CD 3.31Å; N419-E422 PolarHBondContact ND2-OE1 2.91Å; N419-E422 PolarHBondContact O-N 3.3Å; N419-E422 PolarHBondContact OD1-N 3.06Å; E420-E422 PolarHBondContact O-N 3.38Å; E422-S424 PolarHBondContact O-N 3.4Å
423L92.7Very high90.5Very high6 Ų659.9 Ų59.93%0.03133%0.329CS..SBendtrans-61.9136178.2-66.6169.2000110.9E415 V417 E420 Y425 F426 L447 V496 D497E415-L423 HydrophobicContact CB-CD2 4.07Å; V417-L423 HydrophobicContact CG1-CD2 4.39Å; V417-L423 HydrophobicContact CG2-CD2 3.44Å; V417-L423 VanDerWaalsContact CG2-CD2 3.44Å; V417-L423 HydrophobicContact CG2-CG 4Å; E420-L423 HydrophobicContact CB-CD1 4.21Å; E420-L423 WeakPolarHBondContact O-CB 3.38Å; E420-L423 WeakPolarHBondContact O-CG 3.43Å; E420-L423 PolarHBondContact O-N 2.91Å; E420-L423 VanDerWaalsContact O-N 3.13Å; L423-Y425 HydrophobicContact CB-CD1 4.37Å; L423-Y425 HydrophobicContact CB-CE1 4.13Å; L423-Y425 HydrophobicContact CB-CE2 4.5Å; L423-Y425 HydrophobicContact CD1-CE2 4.18Å; L423-Y425 HydrophobicContact CD2-CE1 4.08Å; L423-Y425 HydrophobicContact CG-CE1 4.5Å; L423-Y425 PolarHBondContact O-N 3.42Å; L423-F426 HydrophobicContact CB-CB 4.13Å; L423-F426 PolarHBondContact O-N 2.82Å; L423-L447 HydrophobicContact CD1-CD1 3.94Å; L423-V496 HydrophobicContact CD1-CG1 3.74Å; L423-D497 HydrophobicContact CD1-CB 4.22Å; L423-D497 HydrophobicContact CD2-CB 3.67Å
424S92.8Very high90.7Very high34 Ų3462.2 Ų62.224%0.23834%0.342CS..THydrogen-bonded Turntrans-62.9-17.5-17775.40000113.7E415 E422 K520 W521E415-S424 VanDerWaalsContact CD-OG 3.29Å; E415-S424 WeakPolarHBondContact OE1-CB 3.47Å; E415-S424 PolarHBondContact OE1-OG 2.81Å; E415-S424 VanDerWaalsContact OE2-CB 3.24Å; E415-S424 WeakPolarHBondContact OE2-CB 3.33Å; E415-S424 PolarHBondContact OE2-N 3.44Å; E415-S424 PolarHBondContact OE2-OG 3.24Å; E422-S424 PolarHBondContact O-N 3.4Å; S424-K520 CarbonylContact O-C 3.53Å; S424-K520 WeakPolarHBondContact O-CA 3.24Å; S424-K520 VanDerWaalsContact OG-CD 3.29Å; S424-K520 WeakPolarHBondContact OG-CD 3.06Å; S424-K520 WeakPolarHBondContact OG-CE 3.22Å; S424-K520 WeakPolarHBondContact OG-CG 3.49Å; S424-W521 PolarHBondContact O-N 2.86Å
425Y94.5Very high90.8Very high0 Ų060.1 Ų60.10%033%0.331CS..THydrogen-bonded Turntrans-111.114.3-179.957.1-89.7000113.1L423 F445 L447 D497 I500 P518 V519L423-Y425 HydrophobicContact CB-CD1 4.37Å; L423-Y425 HydrophobicContact CB-CE1 4.13Å; L423-Y425 HydrophobicContact CB-CE2 4.5Å; L423-Y425 HydrophobicContact CD1-CE2 4.18Å; L423-Y425 HydrophobicContact CD2-CE1 4.08Å; L423-Y425 HydrophobicContact CG-CE1 4.5Å; L423-Y425 PolarHBondContact O-N 3.42Å; Y425-F445 AromaticContact CD2-CE2 3.86Å; Y425-F445 HydrophobicContact CD2-CE2 3.86Å; Y425-F445 AromaticContact CE2-CE2 3.9Å; Y425-F445 HydrophobicContact CE2-CE2 3.9Å; Y425-L447 HydrophobicContact CD2-CB 4.46Å; Y425-L447 HydrophobicContact CD2-CD1 3.96Å; Y425-L447 HydrophobicContact CD2-CG 3.88Å; Y425-L447 HydrophobicContact CE2-CD1 3.51Å; Y425-L447 HydrophobicContact CE2-CG 3.83Å; Y425-L447 PolarHBondContact O-N 3.41Å; Y425-D497 WeakPolarHBondContact OH-CA 3.25Å; Y425-D497 PolarHBondContact OH-OD1 3.37Å; Y425-I500 HydrophobicContact CE2-CD1 4.17Å; Y425-P518 HydrophobicContact CD1-CB 3.74Å; Y425-P518 HydrophobicContact CD1-CG 4.38Å; Y425-P518 HydrophobicContact CD2-CB 4.23Å; Y425-P518 HydrophobicContact CE1-CB 4.48Å; Y425-P518 HydrophobicContact CG-CB 3.59Å; Y425-V519 WeakPolarHBondContact CA-O 3.37Å; Y425-V519 VanDerWaalsContact CB-O 3.3Å; Y425-V519 WeakPolarHBondContact CB-O 3.36Å
426F94.8Very high90.9Very high30 Ų3062 Ų6213%0.13234%0.338CS..BIsolated β-bridgetrans-91.6119.8167.3178.5-98.5000110.7E420 C421 L423 L447 L455E420-F426 WeakPolarHBondContact O-CB 3.4Å; C421-F426 VanDerWaalsContact CA-CD1 3.48Å; C421-F426 HydrophobicContact CB-CD1 4.11Å; C421-F426 HydrophobicContact CB-CE1 3.83Å; L423-F426 HydrophobicContact CB-CB 4.13Å; L423-F426 PolarHBondContact O-N 2.82Å; F426-L447 HydrophobicContact CB-CB 4.37Å; F426-L447 HydrophobicContact CD2-CB 3.94Å; F426-L455 HydrophobicContact CD2-CD1 3.95Å; F426-L455 HydrophobicContact CE2-CD1 3.69Å
427F94.2Very high91.3Very high22 Ų2257.7 Ų57.710%0.09633%0.326CS..  trans-99.2-7.6-175.6-78.4-116.2000112.7I430 L438 L446 L447 V519 W521F427-I430 HydrophobicContact CB-CD1 3.58Å; F427-I430 HydrophobicContact CB-CG1 3.86Å; F427-I430 HydrophobicContact CB-CG2 3.99Å; F427-I430 HydrophobicContact CD1-CD1 3.93Å; F427-I430 HydrophobicContact CG-CD1 3.95Å; F427-L438 HydrophobicContact CD1-CD1 3.64Å; F427-L438 HydrophobicContact CE1-CD1 3.37Å; F427-L438 HydrophobicContact CZ-CD1 4.19Å; F427-L446 HydrophobicContact CD2-CB 3.93Å; F427-L446 HydrophobicContact CD2-CD2 4.33Å; F427-L446 HydrophobicContact CE2-CB 4.03Å; F427-L446 HydrophobicContact CE2-CD2 4.4Å; F427-L446 HydrophobicContact CG-CD2 4.46Å; F427-L447 PolarHBondContact N-O 3.31Å; F427-V519 VanDerWaalsContact CE2-O 3.27Å; F427-V519 WeakPolarHBondContact CE2-O 3.41Å; F427-V519 HydrophobicContact CZ-CG1 4.3Å; F427-W521 HydrophobicContact CB-CE3 4.03Å; F427-W521 HydrophobicContact CB-CZ3 4.17Å; F427-W521 HydrophobicContact CD1-CD2 4.27Å; F427-W521 AromaticContact CD1-CE3 3.09Å; F427-W521 HydrophobicContact CD1-CE3 3.09Å; F427-W521 AromaticContact CD1-CZ3 3.37Å; F427-W521 HydrophobicContact CD1-CZ3 3.37Å; F427-W521 HydrophobicContact CD2-CE3 4.27Å; F427-W521 HydrophobicContact CE1-CB 4.39Å; F427-W521 HydrophobicContact CE1-CD2 4.18Å; F427-W521 AromaticContact CE1-CE3 3.36Å; F427-W521 HydrophobicContact CE1-CE3 3.36Å; F427-W521 AromaticContact CE1-CZ3 3.92Å; F427-W521 HydrophobicContact CE1-CZ3 3.92Å; F427-W521 HydrophobicContact CE2-CB 4.12Å; F427-W521 HydrophobicContact CE2-CE3 4.49Å; F427-W521 AromaticContact CG-CE3 3.57Å; F427-W521 HydrophobicContact CG-CE3 3.57Å; F427-W521 HydrophobicContact CG-CZ3 4.02Å; F427-W521 HydrophobicContact CZ-CB 3.98Å; F427-W521 HydrophobicContact CZ-CE3 4.09Å
428G91.1Very high91.6Very high8 Ų858.8 Ų58.88%0.08233%0.331CS..  trans73.1-151.1-173.700000112.5I430 R448 C449G428-I430 VanDerWaalsContact C-N 3.26Å; G428-I430 PolarHBondContact O-N 2.97Å; G428-R448 VanDerWaalsContact O-CA 3.3Å; G428-R448 WeakPolarHBondContact O-CA 3.32Å; G428-R448 WeakPolarHBondContact O-CB 3.44Å; G428-C449 PolarHBondContact O-N 3Å
429P91.3Very high92.1Very high107 Ų10752.7 Ų52.770%0.69530%0.298SS*.SBendtrans-80.472.1-177.833.9-35.2000110.7
430I92.7Very high92.3Very high21 Ų2156 Ų5611%0.10831%0.309CS..  trans-92.3150.2169.361.4163.5000110.4F427 G428 E434 A435 L438 L446 R448F427-I430 HydrophobicContact CB-CD1 3.58Å; F427-I430 HydrophobicContact CB-CG1 3.86Å; F427-I430 HydrophobicContact CB-CG2 3.99Å; F427-I430 HydrophobicContact CD1-CD1 3.93Å; F427-I430 HydrophobicContact CG-CD1 3.95Å; G428-I430 VanDerWaalsContact C-N 3.26Å; G428-I430 PolarHBondContact O-N 2.97Å; I430-E434 HydrophobicContact CB-CB 4.39Å; I430-A435 HydrophobicContact CD1-CB 3.79Å; I430-A435 HydrophobicContact CG1-CB 4.48Å; I430-L438 HydrophobicContact CD1-CD1 4.29Å; I430-L446 HydrophobicContact CD1-CD1 3.93Å; I430-L446 HydrophobicContact CD1-CD2 4.27Å; I430-R448 HydrophobicContact CG1-CB 3.84Å; I430-R448 PolarHBondContact O-NH1 2.97Å
431T91.7Very high92.2Very high73 Ų7354.7 Ų54.745%0.44830%0.303SS..  trans-68.1155.6175.964.30000111T433 E434 A435T431-T433 PolarHBondContact O-N 3.41Å; T431-E434 WeakPolarHBondContact CB-OE2 3.37Å; T431-E434 PolarHBondContact N-OE2 3.18Å; T431-E434 PolarHBondContact O-N 3.01Å; T431-E434 WeakPolarHBondContact OG1-CB 3.41Å; T431-E434 VanDerWaalsContact OG1-CD 3.28Å; T431-E434 WeakPolarHBondContact OG1-CG 3.41Å; T431-E434 PolarHBondContact OG1-N 3.22Å; T431-E434 PolarHBondContact OG1-OE2 2.97Å; T431-A435 PolarHBondContact O-N 2.79Å
432L91.5Very high92.3Very high52 Ų5253.1 Ų53.127%0.27229%0.292SS..Hα-helixtrans-58.9-35.9174.3-179.859.7000111.5A435 K436 V458 E467L432-A435 PolarHBondContact O-N 3.45Å; L432-K436 HydrophobicContact CD1-CD 4.45Å; L432-K436 HydrophobicContact CD1-CG 4.2Å; L432-K436 HydrophobicContact CG-CD 4.17Å; L432-K436 HydrophobicContact CG-CG 4.36Å; L432-K436 WeakPolarHBondContact O-CB 3.23Å; L432-K436 WeakPolarHBondContact O-CG 3.33Å; L432-K436 PolarHBondContact O-N 3.19Å; L432-V458 HydrophobicContact CD1-CG1 3.95Å; L432-V458 HydrophobicContact CD1-CG2 4.34Å; L432-E467 HydrophobicContact CD1-CG 4.11Å
433T93.7Very high92.4Very high111 Ų11148.8 Ų48.868%0.68127%0.272SS*.Hα-helixtrans-63.4-44.7177.5-53.60000112T431 K436 A437T431-T433 PolarHBondContact O-N 3.41Å; T433-K436 PolarHBondContact O-N 3.29Å; T433-A437 PolarHBondContact O-N 2.82Å
434E93.7Very high92.4Very high105 Ų10548.9 Ų48.949%0.49127%0.273SS..Hα-helixtrans-64.4-41.8174.8-71.4164.3139.300111.4I430 T431 K436 A437 L438I430-E434 HydrophobicContact CB-CB 4.39Å; T431-E434 WeakPolarHBondContact CB-OE2 3.37Å; T431-E434 PolarHBondContact N-OE2 3.18Å; T431-E434 PolarHBondContact O-N 3.01Å; T431-E434 WeakPolarHBondContact OG1-CB 3.41Å; T431-E434 VanDerWaalsContact OG1-CD 3.28Å; T431-E434 WeakPolarHBondContact OG1-CG 3.41Å; T431-E434 PolarHBondContact OG1-N 3.22Å; T431-E434 PolarHBondContact OG1-OE2 2.97Å; E434-K436 PolarHBondContact O-N 3.5Å; E434-A437 PolarHBondContact O-N 2.88Å; E434-L438 WeakPolarHBondContact O-CG 3.3Å; E434-L438 PolarHBondContact O-N 3.23Å
435A93.5Very high92.6Very high0 Ų047.2 Ų47.20%026%0.261CS..Hα-helixtrans-59.7-47.6176.600000111.5I430 T431 L432 A437 L438 L439 L446 V458I430-A435 HydrophobicContact CD1-CB 3.79Å; I430-A435 HydrophobicContact CG1-CB 4.48Å; T431-A435 PolarHBondContact O-N 2.79Å; L432-A435 PolarHBondContact O-N 3.45Å; A435-A437 VanDerWaalsContact C-N 3.3Å; A435-A437 PolarHBondContact O-N 2.96Å; A435-L438 WeakPolarHBondContact O-CB 3.46Å; A435-L438 PolarHBondContact O-N 3.43Å; A435-L438 VanDerWaalsContact O-N 3.08Å; A435-L439 PolarHBondContact O-N 3.06Å; A435-L446 HydrophobicContact CB-CD1 4Å; A435-L446 HydrophobicContact CB-CD2 4.26Å; A435-V458 HydrophobicContact CB-CB 4.29Å; A435-V458 HydrophobicContact CB-CG1 4.27Å; A435-V458 HydrophobicContact CB-CG2 4.04Å
436K94.6Very high92.7Very high81 Ų8147.2 Ų47.235%0.35226%0.261SS..Hα-helixtrans-59.1-38.4178.8-73.3179.7172.7-178.80112.8L432 T433 E434 L438 L439 F465L432-K436 HydrophobicContact CD1-CD 4.45Å; L432-K436 HydrophobicContact CD1-CG 4.2Å; L432-K436 HydrophobicContact CG-CD 4.17Å; L432-K436 HydrophobicContact CG-CG 4.36Å; L432-K436 WeakPolarHBondContact O-CB 3.23Å; L432-K436 WeakPolarHBondContact O-CG 3.33Å; L432-K436 PolarHBondContact O-N 3.19Å; T433-K436 PolarHBondContact O-N 3.29Å; E434-K436 PolarHBondContact O-N 3.5Å; K436-L438 PolarHBondContact O-N 2.73Å; K436-L439 PolarHBondContact O-N 3.04Å; K436-F465 HydrophobicContact CB-CD1 4.15Å; K436-F465 HydrophobicContact CB-CD2 4.46Å; K436-F465 HydrophobicContact CB-CE1 3.76Å; K436-F465 HydrophobicContact CB-CE2 4.13Å; K436-F465 HydrophobicContact CB-CG 4.45Å; K436-F465 HydrophobicContact CB-CZ 3.75Å; K436-F465 HydrophobicContact CD-CB 4.36Å; K436-F465 HydrophobicContact CD-CD1 4.43Å; K436-F465 HydrophobicContact CD-CD2 3.75Å; K436-F465 HydrophobicContact CD-CE2 4.06Å; K436-F465 HydrophobicContact CD-CG 3.93Å; K436-F465 HydrophobicContact CD-CZ 4.5Å; K436-F465 HydrophobicContact CG-CB 4.18Å; K436-F465 HydrophobicContact CG-CD1 3.6Å; K436-F465 HydrophobicContact CG-CD2 3.8Å; K436-F465 HydrophobicContact CG-CE1 3.76Å; K436-F465 HydrophobicContact CG-CE2 3.98Å; K436-F465 HydrophobicContact CG-CG 3.59Å; K436-F465 HydrophobicContact CG-CZ 3.94Å
437A93.7Very high92.7Very high80 Ų8045.8 Ų45.866%0.66126%0.255SS*.Hα-helixtrans-67.5-17.5178.800000113.8T433 E434 A435T433-A437 PolarHBondContact O-N 2.82Å; E434-A437 PolarHBondContact O-N 2.88Å; A435-A437 VanDerWaalsContact C-N 3.3Å; A435-A437 PolarHBondContact O-N 2.96Å
438L94.1Very high92.7Very high66 Ų6645.9 Ų45.935%0.34626%0.255SS..Hα-helixtrans-93.1-24.9-177.8-66.6167.2000113.5F427 I430 E434 A435 K436 L446 V519F427-L438 HydrophobicContact CD1-CD1 3.64Å; F427-L438 HydrophobicContact CE1-CD1 3.37Å; F427-L438 HydrophobicContact CZ-CD1 4.19Å; I430-L438 HydrophobicContact CD1-CD1 4.29Å; E434-L438 WeakPolarHBondContact O-CG 3.3Å; E434-L438 PolarHBondContact O-N 3.23Å; A435-L438 WeakPolarHBondContact O-CB 3.46Å; A435-L438 PolarHBondContact O-N 3.43Å; A435-L438 VanDerWaalsContact O-N 3.08Å; K436-L438 PolarHBondContact O-N 2.73Å; L438-L446 HydrophobicContact CB-CD2 3.97Å; L438-L446 HydrophobicContact CD1-CD2 3.82Å; L438-V519 HydrophobicContact CB-CG1 4.41Å
439L93.5Very high92.8Very high9 Ų946 Ų465%0.04726%0.255CS..  trans-87.5124.7-179.2-51.4176.9000109.1A435 K436 D444 L446 V458 L460 F465 V519A435-L439 PolarHBondContact O-N 3.06Å; K436-L439 PolarHBondContact O-N 3.04Å; L439-D444 HydrophobicContact CB-CB 4.24Å; L439-D444 HydrophobicContact CD2-CB 4.08Å; L439-L446 HydrophobicContact CD2-CB 4.48Å; L439-L446 HydrophobicContact CD2-CD2 4.01Å; L439-L446 HydrophobicContact CD2-CG 4.08Å; L439-V458 HydrophobicContact CD1-CB 4.24Å; L439-V458 HydrophobicContact CD1-CG1 3.84Å; L439-V458 WeakPolarHBondContact CD1-O 3.42Å; L439-L460 HydrophobicContact CB-CB 3.77Å; L439-L460 HydrophobicContact CB-CD2 4.28Å; L439-L460 HydrophobicContact CD1-CB 4.2Å; L439-F465 HydrophobicContact CB-CE1 4.15Å; L439-F465 HydrophobicContact CD1-CD1 4.06Å; L439-F465 HydrophobicContact CD1-CE1 4.22Å; L439-V519 HydrophobicContact CD2-CB 4.39Å; L439-V519 HydrophobicContact CD2-CG2 3.72Å
440K89.5Confident92.7Very high139 Ų13942.3 Ų42.360%0.60423%0.229SC*.  trans-118.6-32.1-170.7-65.1-172.9178.8-1700113.4D444K440-D444 PolarHBondContact N-OD2 3.49Å; K440-D444 VanDerWaalsContact N-OD2 3.11Å
441H86.4Confident92.4Very high55 Ų5549.2 Ų49.226%0.25527%0.266SS..SBendtrans-120.2153.1-176.2-49-78.4000110.8G443 D444 E640H441-G443 PolarHBondContact O-N 2.79Å; H441-D444 IonicContact CD2-OD2 2.74Å; H441-D444 PolarHBondContact CD2-OD2 3.13Å; H441-D444 IonicContact CG-OD2 2.84Å; H441-D444 PolarHBondContact N-OD2 2.74Å; H441-D444 WeakPolarHBondContact O-CB 3.37Å; H441-D444 VanDerWaalsContact O-CG 3.3Å; H441-D444 PolarHBondContact O-N 2.74Å; H441-E640 IonicContact CE1-OE2 2.65Å; H441-E640 PolarHBondContact CE1-OE2 2.68Å; H441-E640 IonicContact ND1-OE2 2.75Å; H441-E640 PolarHBondContact ND1-OE2 3.38Å
442S89.2Confident92.1Very high25 Ų2551.6 Ų51.618%0.17528%0.276CS..THydrogen-bonded Turntrans-63.7133.7176.4-1720000111.9E230 D444 L460E230-S442 WeakPolarHBondContact OE2-CB 3.45Å; E230-S442 PolarHBondContact OE2-OG 2.91Å; S442-D444 VanDerWaalsContact C-N 3.29Å; S442-L460 CarbonylContact C-O 3.57Å; S442-L460 WeakPolarHBondContact CA-O 3.33Å
443G90.8Very high91.8Very high0 Ų056.2 Ų56.20%030%0.296CS..THydrogen-bonded Turntrans81.3-1.1-170.100000114.3H441 L460 V514 R516 R517H441-G443 PolarHBondContact O-N 2.79Å; G443-L460 PolarHBondContact N-O 3.32Å; G443-V514 WeakPolarHBondContact CA-O 3.22Å; G443-R516 WeakPolarHBondContact O-CA 3.35Å; G443-R516 PolarHBondContact O-N 2.97Å; G443-R517 PolarHBondContact O-N 3.36Å
444D93.6Very high91.6Very high8 Ų854.9 Ų54.94%0.04328%0.281CS..EExtended strand (participates in β ladder)trans-64.5137.6167.8-76.9-11.6000109.2L439 K440 H441 S442 V459 L460 R517 V519L439-D444 HydrophobicContact CB-CB 4.24Å; L439-D444 HydrophobicContact CD2-CB 4.08Å; K440-D444 PolarHBondContact N-OD2 3.49Å; K440-D444 VanDerWaalsContact N-OD2 3.11Å; H441-D444 IonicContact CD2-OD2 2.74Å; H441-D444 PolarHBondContact CD2-OD2 3.13Å; H441-D444 IonicContact CG-OD2 2.84Å; H441-D444 PolarHBondContact N-OD2 2.74Å; H441-D444 WeakPolarHBondContact O-CB 3.37Å; H441-D444 VanDerWaalsContact O-CG 3.3Å; H441-D444 PolarHBondContact O-N 2.74Å; S442-D444 VanDerWaalsContact C-N 3.29Å; D444-V459 WeakPolarHBondContact O-CA 3.47Å; D444-L460 PolarHBondContact O-N 3.32Å; D444-R517 CarbonylContact C-O 3.53Å; D444-R517 VanDerWaalsContact CA-O 3.29Å; D444-R517 WeakPolarHBondContact CA-O 3.5Å; D444-V519 HydrophobicContact CB-CG2 4.02Å
445F96Very high91.5Very high0 Ų050.3 Ų50.30%026%0.26CS..EExtended strand (participates in β ladder)trans-144.1161.7176.673.4-84.8000113Y425 V458 V459 I500 I504 L515 R517 P518 V519Y425-F445 AromaticContact CD2-CE2 3.86Å; Y425-F445 HydrophobicContact CD2-CE2 3.86Å; Y425-F445 AromaticContact CE2-CE2 3.9Å; Y425-F445 HydrophobicContact CE2-CE2 3.9Å; F445-V458 WeakPolarHBondContact CA-O 3.33Å; F445-V458 WeakPolarHBondContact CB-O 3.43Å; F445-V459 HydrophobicContact CB-CB 4.41Å; F445-V459 HydrophobicContact CB-CG1 4.36Å; F445-V459 HydrophobicContact CB-CG2 3.98Å; F445-I500 HydrophobicContact CE1-CG2 4.37Å; F445-I500 HydrophobicContact CE2-CD1 4.42Å; F445-I500 HydrophobicContact CE2-CG2 3.63Å; F445-I500 HydrophobicContact CZ-CG2 3.44Å; F445-I500 VanDerWaalsContact CZ-CG2 3.44Å; F445-I504 HydrophobicContact CE1-CD1 3.59Å; F445-I504 HydrophobicContact CE1-CG1 4.32Å; F445-I504 HydrophobicContact CZ-CD1 3.71Å; F445-L515 HydrophobicContact CB-CD2 3.92Å; F445-L515 HydrophobicContact CD1-CB 4.15Å; F445-L515 HydrophobicContact CD1-CD2 4.08Å; F445-L515 HydrophobicContact CE1-CB 4.27Å; F445-L515 HydrophobicContact CG-CD2 3.94Å; F445-R517 VanDerWaalsContact CD1-C 3.48Å; F445-R517 VanDerWaalsContact CD1-O 3.25Å; F445-R517 WeakPolarHBondContact CD1-O 3.44Å; F445-R517 PolarHBondContact N-O 3.23Å; F445-P518 HydrophobicContact CE1-CB 4.02Å; F445-P518 HydrophobicContact CE1-CG 4.46Å; F445-P518 VanDerWaalsContact CE1-N 3.29Å; F445-P518 HydrophobicContact CE2-CB 4.02Å; F445-P518 HydrophobicContact CZ-CB 3.6Å; F445-P518 HydrophobicContact CZ-CG 4.21Å; F445-P518 CarbonylContact O-C 3.58Å; F445-P518 WeakPolarHBondContact O-CA 3.48Å; F445-V519 PolarHBondContact O-N 2.83Å
446L96.6Very high91.6Very high0 Ų051.3 Ų51.30%027%0.265CS..EExtended strand (participates in β ladder)trans-143.5161.2168.360.580.1000110.2F427 I430 A435 L438 L439 R448 A457 V458F427-L446 HydrophobicContact CD2-CB 3.93Å; F427-L446 HydrophobicContact CD2-CD2 4.33Å; F427-L446 HydrophobicContact CE2-CB 4.03Å; F427-L446 HydrophobicContact CE2-CD2 4.4Å; F427-L446 HydrophobicContact CG-CD2 4.46Å; I430-L446 HydrophobicContact CD1-CD1 3.93Å; I430-L446 HydrophobicContact CD1-CD2 4.27Å; A435-L446 HydrophobicContact CB-CD1 4Å; A435-L446 HydrophobicContact CB-CD2 4.26Å; L438-L446 HydrophobicContact CB-CD2 3.97Å; L438-L446 HydrophobicContact CD1-CD2 3.82Å; L439-L446 HydrophobicContact CD2-CB 4.48Å; L439-L446 HydrophobicContact CD2-CD2 4.01Å; L439-L446 HydrophobicContact CD2-CG 4.08Å; L446-R448 HydrophobicContact CD1-CB 4.26Å; L446-A457 WeakPolarHBondContact O-CA 3.41Å; L446-V458 HydrophobicContact CD1-CB 4.33Å; L446-V458 HydrophobicContact CD1-CG2 4.31Å; L446-V458 PolarHBondContact N-O 3.49Å; L446-V458 VanDerWaalsContact N-O 3.1Å; L446-V458 PolarHBondContact O-N 2.8Å
447L96.3Very high91.6Very high0 Ų047.4 Ų47.40%025%0.248CC..EExtended strand (participates in β ladder)trans-99.2136.4172.7-69-179.7000111L423 Y425 F426 F427 L455 L456 A457 M470 V496 I500L423-L447 HydrophobicContact CD1-CD1 3.94Å; Y425-L447 HydrophobicContact CD2-CB 4.46Å; Y425-L447 HydrophobicContact CD2-CD1 3.96Å; Y425-L447 HydrophobicContact CD2-CG 3.88Å; Y425-L447 HydrophobicContact CE2-CD1 3.51Å; Y425-L447 HydrophobicContact CE2-CG 3.83Å; Y425-L447 PolarHBondContact O-N 3.41Å; F426-L447 HydrophobicContact CB-CB 4.37Å; F426-L447 HydrophobicContact CD2-CB 3.94Å; F427-L447 PolarHBondContact N-O 3.31Å; L447-L455 HydrophobicContact CB-CD1 4.29Å; L447-L456 WeakPolarHBondContact CA-O 3.27Å; L447-A457 HydrophobicContact CD2-CB 3.8Å; L447-M470 HydrophobicContact CD2-CG 4.09Å; L447-V496 HydrophobicContact CD1-CG1 4.45Å; L447-V496 HydrophobicContact CD1-CG2 4.42Å; L447-I500 HydrophobicContact CD1-CD1 3.95Å; L447-I500 HydrophobicContact CD2-CD1 3.83Å; L447-I500 HydrophobicContact CG-CD1 4.16Å
448R94.3Very high91.8Very high23 Ų2343.6 Ų43.69%0.08722%0.217CC..EExtended strand (participates in β ladder)trans-137.9163.3173.774.1176.9-155.786.97.1110.8G428 I430 L446 L456 V458 E467G428-R448 VanDerWaalsContact O-CA 3.3Å; G428-R448 WeakPolarHBondContact O-CA 3.32Å; G428-R448 WeakPolarHBondContact O-CB 3.44Å; I430-R448 HydrophobicContact CG1-CB 3.84Å; I430-R448 PolarHBondContact O-NH1 2.97Å; L446-R448 HydrophobicContact CD1-CB 4.26Å; R448-L456 HydrophobicContact CG-CB 4.27Å; R448-L456 PolarHBondContact N-O 3.05Å; R448-L456 PolarHBondContact O-N 3.29Å; R448-V458 HydrophobicContact CG-CG2 4Å; R448-E467 IonicContact CZ-OE1 3.61Å; R448-E467 IonicContact NE-OE1 2.93Å; R448-E467 PolarHBondContact NE-OE1 3.2Å; R448-E467 VanDerWaalsContact NE-OE1 3.07Å; R448-E467 IonicContact NH2-OE1 2.83Å; R448-E467 PolarHBondContact NH2-OE1 3.5Å
449C92.5Very high91.9Very high12 Ų1240.5 Ų40.58%0.08120%0.2CC..EExtended strand (participates in β ladder)trans-98.7141.7163.2-65.80000110G428 K454G428-C449 PolarHBondContact O-N 3Å; C449-K454 VanDerWaalsContact CA-O 3.3Å; C449-K454 WeakPolarHBondContact CA-O 3.25Å
450D89Confident91.9Very high28 Ų2840.4 Ų40.415%0.1520%0.2CC..  trans-78.7179.916581.2-10000111.9N452 E453 K454 L456D450-N452 PolarHBondContact O-N 3.2Å; D450-N452 VanDerWaalsContact O-N 3.12Å; D450-N452 VanDerWaalsContact OD1-C 3.28Å; D450-N452 VanDerWaalsContact OD1-CA 3.29Å; D450-N452 WeakPolarHBondContact OD1-CA 3.45Å; D450-N452 WeakPolarHBondContact OD1-CB 2.95Å; D450-N452 PolarHBondContact OD1-N 3.08Å; D450-N452 PolarHBondContact OD2-ND2 3.23Å; D450-E453 PolarHBondContact O-N 3.26Å; D450-E453 PolarHBondContact OD1-N 3.01Å; D450-K454 PolarHBondContact N-O 2.76Å; D450-K454 VanDerWaalsContact OD1-CB 3.31Å; D450-K454 WeakPolarHBondContact OD1-CB 3.4Å; D450-K454 PolarHBondContact OD1-N 2.56Å; D450-L456 HydrophobicContact CB-CD1 3.89Å
451D85.5Confident92Very high167 Ų16734.3 Ų34.389%0.89317%0.173SC*.THydrogen-bonded Turntrans-64.1-14.6179.4-60.1-31.6000113.2
452N85.6Confident92.1Very high122 Ų12234.8 Ų34.865%0.65218%0.177SC*.THydrogen-bonded Turntrans-100.213.7177.2-55.2-64.6000112.4D450 K454D450-N452 PolarHBondContact O-N 3.2Å; D450-N452 VanDerWaalsContact O-N 3.12Å; D450-N452 VanDerWaalsContact OD1-C 3.28Å; D450-N452 VanDerWaalsContact OD1-CA 3.29Å; D450-N452 WeakPolarHBondContact OD1-CA 3.45Å; D450-N452 WeakPolarHBondContact OD1-CB 2.95Å; D450-N452 PolarHBondContact OD1-N 3.08Å; D450-N452 PolarHBondContact OD2-ND2 3.23Å; N452-K454 HydrophobicContact CB-CG 4.19Å; N452-K454 PolarHBondContact O-N 3.47Å
453E84.9Confident91.9Very high149 Ų14937.7 Ų37.770%0.69619%0.191SC*.  trans61.621.9-175.5-60.4-73.416000113.8D450D450-E453 PolarHBondContact O-N 3.26Å; D450-E453 PolarHBondContact OD1-N 3.01Å
454K89.7Confident91.9Very high83 Ų8343.9 Ų43.936%0.36122%0.22SC..  trans-80.8132.4174.3-60-169.3172.8-170.30110.7C449 D450 N452 L456 E471C449-K454 VanDerWaalsContact CA-O 3.3Å; C449-K454 WeakPolarHBondContact CA-O 3.25Å; D450-K454 PolarHBondContact N-O 2.76Å; D450-K454 VanDerWaalsContact OD1-CB 3.31Å; D450-K454 WeakPolarHBondContact OD1-CB 3.4Å; D450-K454 PolarHBondContact OD1-N 2.56Å; N452-K454 HydrophobicContact CB-CG 4.19Å; N452-K454 PolarHBondContact O-N 3.47Å; K454-L456 PolarHBondContact O-N 3.21Å; K454-E471 WeakPolarHBondContact CG-OE1 3.48Å
455L93Very high91.9Very high10 Ų1047 Ų475%0.05223%0.233CC..EExtended strand (participates in β ladder)trans-76.4120.2177.2-170.964.6000110.4E420 F426 L447 M470 V496E420-L455 HydrophobicContact CB-CD2 4.44Å; E420-L455 HydrophobicContact CG-CD2 4.44Å; F426-L455 HydrophobicContact CD2-CD1 3.95Å; F426-L455 HydrophobicContact CE2-CD1 3.69Å; L447-L455 HydrophobicContact CB-CD1 4.29Å; L455-M470 HydrophobicContact CB-CB 4.39Å; L455-M470 HydrophobicContact CD2-CB 4.14Å; L455-M470 HydrophobicContact CG-CB 4.01Å; L455-M470 WeakPolarHBondContact O-CB 3.35Å; L455-M470 PolarHBondContact O-N 3.44Å; L455-V496 HydrophobicContact CD2-CB 4.32Å; L455-V496 HydrophobicContact CD2-CG1 4.28Å; L455-V496 HydrophobicContact CD2-CG2 3.93Å
456L94.5Very high91.8Very high20 Ų2048.3 Ų48.311%0.10524%0.241CC..EExtended strand (participates in β ladder)trans-123142.3179.2-59.7178.3000110.4L447 R448 D450 K454 I468 N469L447-L456 WeakPolarHBondContact CA-O 3.27Å; R448-L456 HydrophobicContact CG-CB 4.27Å; R448-L456 PolarHBondContact N-O 3.05Å; R448-L456 PolarHBondContact O-N 3.29Å; D450-L456 HydrophobicContact CB-CD1 3.89Å; K454-L456 PolarHBondContact O-N 3.21Å; L456-I468 WeakPolarHBondContact CA-O 3.24Å; L456-N469 HydrophobicContact CD2-CB 4.38Å
457A95.6Very high91.7Very high0 Ų051.3 Ų51.30%026%0.255CS..EExtended strand (participates in β ladder)trans-97126.9160.900000109.8L446 L447 E467 I468 M470L446-A457 WeakPolarHBondContact O-CA 3.41Å; L447-A457 HydrophobicContact CD2-CB 3.8Å; A457-E467 CarbonylContact O-C 3.58Å; A457-E467 WeakPolarHBondContact O-CA 3.04Å; A457-I468 HydrophobicContact CB-CB 4.44Å; A457-I468 PolarHBondContact N-O 3.24Å; A457-I468 PolarHBondContact O-N 2.98Å; A457-M470 HydrophobicContact CB-CE 3.28Å; A457-M470 HydrophobicContact CB-CG 3.85Å; A457-M470 HydrophobicContact CB-SD 4.4Å
458V96.6Very high91.6Very high0 Ų051.6 Ų51.60%026%0.256CS..EExtended strand (participates in β ladder)trans-98.1126170.3-169.70000107.5L432 A435 L439 F445 L446 R448 E467L432-V458 HydrophobicContact CD1-CG1 3.95Å; L432-V458 HydrophobicContact CD1-CG2 4.34Å; A435-V458 HydrophobicContact CB-CB 4.29Å; A435-V458 HydrophobicContact CB-CG1 4.27Å; A435-V458 HydrophobicContact CB-CG2 4.04Å; L439-V458 HydrophobicContact CD1-CB 4.24Å; L439-V458 HydrophobicContact CD1-CG1 3.84Å; L439-V458 WeakPolarHBondContact CD1-O 3.42Å; F445-V458 WeakPolarHBondContact CA-O 3.33Å; F445-V458 WeakPolarHBondContact CB-O 3.43Å; L446-V458 HydrophobicContact CD1-CB 4.33Å; L446-V458 HydrophobicContact CD1-CG2 4.31Å; L446-V458 PolarHBondContact N-O 3.49Å; L446-V458 VanDerWaalsContact N-O 3.1Å; L446-V458 PolarHBondContact O-N 2.8Å; R448-V458 HydrophobicContact CG-CG2 4Å; V458-E467 HydrophobicContact CG2-CG 4.26Å
459V96.2Very high91.5Very high0 Ų054.3 Ų54.30%027%0.273CS..EExtended strand (participates in β ladder)trans-124.8137.4-174.6-1670000109.3D444 F445 F465 V466 I468 V513 L515D444-V459 WeakPolarHBondContact O-CA 3.47Å; F445-V459 HydrophobicContact CB-CB 4.41Å; F445-V459 HydrophobicContact CB-CG1 4.36Å; F445-V459 HydrophobicContact CB-CG2 3.98Å; V459-F465 CarbonylContact O-C 3.57Å; V459-F465 VanDerWaalsContact O-CA 3.3Å; V459-F465 WeakPolarHBondContact O-CA 3.45Å; V459-V466 PolarHBondContact N-O 2.76Å; V459-V466 PolarHBondContact O-N 3.46Å; V459-I468 HydrophobicContact CG2-CD1 3.78Å; V459-I468 HydrophobicContact CG2-CG1 4.35Å; V459-V513 HydrophobicContact CB-CG2 4.32Å; V459-V513 HydrophobicContact CG1-CB 4.45Å; V459-V513 HydrophobicContact CG1-CG2 4.19Å; V459-V513 HydrophobicContact CG2-CG2 4.35Å; V459-L515 HydrophobicContact CB-CD2 4.29Å; V459-L515 HydrophobicContact CG1-CD2 3.93Å; V459-L515 HydrophobicContact CG2-CD2 3.32Å
460L94.8Very high91.4Very high8 Ų853.8 Ų53.84%0.04227%0.269CS..EExtended strand (participates in β ladder)trans-93124.4166.7174.460.5000108.5L439 S442 G443 D444 Q464 F465L439-L460 HydrophobicContact CB-CB 3.77Å; L439-L460 HydrophobicContact CB-CD2 4.28Å; L439-L460 HydrophobicContact CD1-CB 4.2Å; S442-L460 CarbonylContact C-O 3.57Å; S442-L460 WeakPolarHBondContact CA-O 3.33Å; G443-L460 PolarHBondContact N-O 3.32Å; D444-L460 PolarHBondContact O-N 3.32Å; L460-Q464 CarbonylContact C-O 3.59Å; L460-Q464 WeakPolarHBondContact CA-O 3.37Å; L460-F465 HydrophobicContact CB-CD1 4.29Å; L460-F465 HydrophobicContact CB-CE1 4.18Å; L460-F465 HydrophobicContact CD1-CD1 4.17Å; L460-F465 HydrophobicContact CD1-CE1 3.87Å; L460-F465 HydrophobicContact CD1-CE2 4.42Å; L460-F465 HydrophobicContact CD1-CZ 4.01Å; L460-F465 HydrophobicContact CG-CE1 4.45Å
461W91.9Very high91.2Very high11 Ų1156.7 Ų56.74%0.04228%0.282CS..EExtended strand (participates in β ladder)trans-145.6124.8177.7-172.6-94.7000110.1W182 E230 G233 M235 D463 Q464 G512 V513 V514W182-W461 AromaticContact CH2-CZ2 4Å; W182-W461 HydrophobicContact CH2-CZ2 4Å; W182-W461 HydrophobicContact CZ2-CH2 4.43Å; W182-W461 AromaticContact CZ2-CZ2 3.53Å; W182-W461 HydrophobicContact CZ2-CZ2 3.53Å; E230-W461 HydrophobicContact CB-CH2 4.36Å; E230-W461 HydrophobicContact CB-CZ2 4.44Å; E230-W461 HydrophobicContact CG-CH2 4.38Å; E230-W461 HydrophobicContact CG-CZ2 3.98Å; G233-W461 PolarHBondContact O-NE1 3.37Å; M235-W461 HydrophobicContact CG-CH2 3.91Å; M235-W461 HydrophobicContact CG-CZ2 4.17Å; M235-W461 HydrophobicContact SD-CH2 3.83Å; W461-D463 VanDerWaalsContact C-N 3.33Å; W461-D463 PolarHBondContact O-N 3.2Å; W461-Q464 PolarHBondContact N-O 3.18Å; W461-Q464 WeakPolarHBondContact O-CA 3.29Å; W461-Q464 WeakPolarHBondContact O-CB 3.35Å; W461-Q464 PolarHBondContact O-N 3.35Å; W461-Q464 VanDerWaalsContact O-O 3.13Å; W461-G512 PolarHBondContact NE1-O 3.23Å; W461-V513 HydrophobicContact CB-CB 3.88Å; W461-V513 HydrophobicContact CB-CG1 3.46Å; W461-V513 VanDerWaalsContact CB-CG1 3.46Å; W461-V513 HydrophobicContact CD2-CB 4.13Å; W461-V513 HydrophobicContact CD2-CG1 4.44Å; W461-V513 HydrophobicContact CE3-CB 4.45Å; W461-V513 HydrophobicContact CG-CB 3.87Å; W461-V513 HydrophobicContact CG-CG1 3.67Å; W461-V514 HydrophobicContact CE3-CB 4.43Å; W461-V514 HydrophobicContact CH2-CB 3.69Å; W461-V514 HydrophobicContact CH2-CG2 3.91Å; W461-V514 HydrophobicContact CZ2-CG2 4.42Å; W461-V514 HydrophobicContact CZ3-CB 3.61Å; W461-V514 HydrophobicContact CZ3-CG2 4.31Å; W461-V514 WeakPolarHBondContact CZ3-O 3.29Å
462N86.9Confident91.1Very high64 Ų6451 Ų5134%0.34225%0.254SS..THydrogen-bonded Turntrans48.349.9-179.4-166.625000113.7E230 Q464E230-N462 VanDerWaalsContact OE1-CA 3.31Å; E230-N462 WeakPolarHBondContact OE1-CA 3.34Å; E230-N462 VanDerWaalsContact OE1-CB 3.22Å; E230-N462 WeakPolarHBondContact OE1-CB 3.27Å; N462-Q464 PolarHBondContact O-N 3.28Å
463D86.3Confident90.8Very high86 Ų8650.1 Ų50.146%0.4624%0.244SC..THydrogen-bonded Turntrans58.810.2-174.3-67-50.6000115.7W461 T641W461-D463 VanDerWaalsContact C-N 3.33Å; W461-D463 PolarHBondContact O-N 3.2Å; D463-T641 WeakPolarHBondContact OD1-CB 3.48Å; D463-T641 PolarHBondContact OD1-OG1 3.24Å
464Q91.1Very high89.9Confident130 Ų13047.4 Ų47.461%0.60725%0.247SC*.EExtended strand (participates in β ladder)trans-109.6147.1176.7-62-175-7.300110.9L460 W461 N462L460-Q464 CarbonylContact C-O 3.59Å; L460-Q464 WeakPolarHBondContact CA-O 3.37Å; W461-Q464 PolarHBondContact N-O 3.18Å; W461-Q464 WeakPolarHBondContact O-CA 3.29Å; W461-Q464 WeakPolarHBondContact O-CB 3.35Å; W461-Q464 PolarHBondContact O-N 3.35Å; W461-Q464 VanDerWaalsContact O-O 3.13Å; N462-Q464 PolarHBondContact O-N 3.28Å
465F93.6Very high89Confident75 Ų7547.3 Ų47.333%0.32927%0.27SS..EExtended strand (participates in β ladder)trans-104.7123.4175.9-63.3-83.7000109.8K436 L439 V459 L460K436-F465 HydrophobicContact CB-CD1 4.15Å; K436-F465 HydrophobicContact CB-CD2 4.46Å; K436-F465 HydrophobicContact CB-CE1 3.76Å; K436-F465 HydrophobicContact CB-CE2 4.13Å; K436-F465 HydrophobicContact CB-CG 4.45Å; K436-F465 HydrophobicContact CB-CZ 3.75Å; K436-F465 HydrophobicContact CD-CB 4.36Å; K436-F465 HydrophobicContact CD-CD1 4.43Å; K436-F465 HydrophobicContact CD-CD2 3.75Å; K436-F465 HydrophobicContact CD-CE2 4.06Å; K436-F465 HydrophobicContact CD-CG 3.93Å; K436-F465 HydrophobicContact CD-CZ 4.5Å; K436-F465 HydrophobicContact CG-CB 4.18Å; K436-F465 HydrophobicContact CG-CD1 3.6Å; K436-F465 HydrophobicContact CG-CD2 3.8Å; K436-F465 HydrophobicContact CG-CE1 3.76Å; K436-F465 HydrophobicContact CG-CE2 3.98Å; K436-F465 HydrophobicContact CG-CG 3.59Å; K436-F465 HydrophobicContact CG-CZ 3.94Å; L439-F465 HydrophobicContact CB-CE1 4.15Å; L439-F465 HydrophobicContact CD1-CD1 4.06Å; L439-F465 HydrophobicContact CD1-CE1 4.22Å; V459-F465 CarbonylContact O-C 3.57Å; V459-F465 VanDerWaalsContact O-CA 3.3Å; V459-F465 WeakPolarHBondContact O-CA 3.45Å; L460-F465 HydrophobicContact CB-CD1 4.29Å; L460-F465 HydrophobicContact CB-CE1 4.18Å; L460-F465 HydrophobicContact CD1-CD1 4.17Å; L460-F465 HydrophobicContact CD1-CE1 3.87Å; L460-F465 HydrophobicContact CD1-CE2 4.42Å; L460-F465 HydrophobicContact CD1-CZ 4.01Å; L460-F465 HydrophobicContact CG-CE1 4.45Å
466V93.9Very high88Confident27 Ų2749.6 Ų49.616%0.16428%0.282CS..EExtended strand (participates in β ladder)trans-117127.4-178.5-177.70000109.3V459 I468 V513V459-V466 PolarHBondContact N-O 2.76Å; V459-V466 PolarHBondContact O-N 3.46Å; V466-I468 HydrophobicContact CG1-CG1 4.26Å; V466-V513 HydrophobicContact CB-CG1 3.92Å; V466-V513 HydrophobicContact CG1-CG1 4.28Å; V466-V513 HydrophobicContact CG2-CG1 3.59Å
467E94.2Very high87.4Confident62 Ų6258.4 Ų58.429%0.2931%0.314SS..EExtended strand (participates in β ladder)trans-93.3123.8170.4-66.9-170.6110.800109.7L432 R448 A457 V458 R511L432-E467 HydrophobicContact CD1-CG 4.11Å; R448-E467 IonicContact CZ-OE1 3.61Å; R448-E467 IonicContact NE-OE1 2.93Å; R448-E467 PolarHBondContact NE-OE1 3.2Å; R448-E467 VanDerWaalsContact NE-OE1 3.07Å; R448-E467 IonicContact NH2-OE1 2.83Å; R448-E467 PolarHBondContact NH2-OE1 3.5Å; A457-E467 CarbonylContact O-C 3.58Å; A457-E467 WeakPolarHBondContact O-CA 3.04Å; V458-E467 HydrophobicContact CG2-CG 4.26Å; E467-R511 PolarHBondContact O-NH1 3.47Å
468I93.5Very high87.1Confident6 Ų659.4 Ų59.43%0.03132%0.319CS..EExtended strand (participates in β ladder)trans-110.5128.5178.8-55.5174.7000108.3L456 A457 V459 V466 M470 I510 V513 L515L456-I468 WeakPolarHBondContact CA-O 3.24Å; A457-I468 HydrophobicContact CB-CB 4.44Å; A457-I468 PolarHBondContact N-O 3.24Å; A457-I468 PolarHBondContact O-N 2.98Å; V459-I468 HydrophobicContact CG2-CD1 3.78Å; V459-I468 HydrophobicContact CG2-CG1 4.35Å; V466-I468 HydrophobicContact CG1-CG1 4.26Å; I468-M470 HydrophobicContact CB-CE 3.96Å; I468-M470 HydrophobicContact CD1-CE 4.4Å; I468-M470 HydrophobicContact CG2-CE 3.69Å; I468-M470 HydrophobicContact CG2-SD 4.28Å; I468-M470 PolarHBondContact O-N 3.1Å; I468-I510 HydrophobicContact CD1-CB 4.49Å; I468-I510 HydrophobicContact CD1-CG2 4.19Å; I468-I510 HydrophobicContact CG2-CG2 3.98Å; I468-V513 HydrophobicContact CD1-CG2 3.65Å; I468-L515 HydrophobicContact CD1-CD2 4.4Å
469N91.4Very high86.8Confident81 Ų8160.2 Ų60.243%0.43332%0.322SS..EExtended strand (participates in β ladder)trans-69.2123.2172.4-170.8-3.9000109.7L456 E471L456-N469 HydrophobicContact CD2-CB 4.38Å; N469-E471 PolarHBondContact ND2-OE2 3.23Å; N469-E471 WeakPolarHBondContact OD1-CB 3.28Å; N469-E471 VanDerWaalsContact OD1-CG 3.25Å; N469-E471 WeakPolarHBondContact OD1-CG 3.37Å; N469-E471 PolarHBondContact OD1-N 3.19Å
470M90.9Very high86.5Confident1 Ų164.1 Ų64.11%0.00534%0.337CS..  trans-108.324.3178.7-64.2-63.2179.500111.6L447 L455 A457 I468 Y479 V496 Y499 I500 L515L447-M470 HydrophobicContact CD2-CG 4.09Å; L455-M470 HydrophobicContact CB-CB 4.39Å; L455-M470 HydrophobicContact CD2-CB 4.14Å; L455-M470 HydrophobicContact CG-CB 4.01Å; L455-M470 WeakPolarHBondContact O-CB 3.35Å; L455-M470 PolarHBondContact O-N 3.44Å; A457-M470 HydrophobicContact CB-CE 3.28Å; A457-M470 HydrophobicContact CB-CG 3.85Å; A457-M470 HydrophobicContact CB-SD 4.4Å; I468-M470 HydrophobicContact CB-CE 3.96Å; I468-M470 HydrophobicContact CD1-CE 4.4Å; I468-M470 HydrophobicContact CG2-CE 3.69Å; I468-M470 HydrophobicContact CG2-SD 4.28Å; I468-M470 PolarHBondContact O-N 3.1Å; M470-Y479 VanDerWaalsContact O-CE1 3.22Å; M470-Y479 WeakPolarHBondContact O-CE1 3.46Å; M470-V496 HydrophobicContact CB-CG2 4.23Å; M470-Y499 HydrophobicContact SD-CD1 4.32Å; M470-Y499 HydrophobicContact SD-CE1 3.99Å; M470-I500 HydrophobicContact CE-CG1 4.32Å; M470-I500 HydrophobicContact SD-CG1 4.38Å; M470-L515 HydrophobicContact CE-CD1 4.19Å
471E84.1Confident86.3Confident89 Ų8964.3 Ų64.342%0.41634%0.338SS..PPolyproline II helixtrans-73.9138.5170.1-72.3176.2139.800110.7K454 N469K454-E471 WeakPolarHBondContact CG-OE1 3.48Å; N469-E471 PolarHBondContact ND2-OE2 3.23Å; N469-E471 WeakPolarHBondContact OD1-CB 3.28Å; N469-E471 VanDerWaalsContact OD1-CG 3.25Å; N469-E471 WeakPolarHBondContact OD1-CG 3.37Å; N469-E471 PolarHBondContact OD1-N 3.19Å
472P84.9Confident86Confident46 Ų4666 Ų6630%0.29935%0.35SS..PPolyproline II helixtrans-65.9161.8173.629.6-34.8000110.8A474 R477 L478 Y479P472-A474 PolarHBondContact O-N 2.93Å; P472-R477 VanDerWaalsContact CB-C 3.48Å; P472-R477 HydrophobicContact CG-CB 4.47Å; P472-L478 WeakPolarHBondContact CB-O 3.32Å; P472-Y479 HydrophobicContact CB-CD2 4.33Å; P472-Y479 HydrophobicContact CB-CE1 4.38Å; P472-Y479 HydrophobicContact CB-CE2 4.08Å
473F78.8Confident85.9Confident105 Ų10565.6 Ų65.646%0.46136%0.356SS..PPolyproline II helixtrans-61.5142.3179.7-158.8-89.1000111.1G475 L478 R480F473-G475 PolarHBondContact O-N 2.82Å; F473-L478 PolarHBondContact N-O 3.38Å; F473-R480 HydrophobicContact CB-CG 4.4Å; F473-R480 VanDerWaalsContact CG-CZ 3.44Å
474A66.3Low85.5Confident91 Ų9163 Ų6375%0.75235%0.347SS*.THydrogen-bonded Turntrans-61.7121.8-179.300000110.8P472P472-A474 PolarHBondContact O-N 2.93Å
475G70.4Confident85Confident81 Ų8159.2 Ų59.284%0.83533%0.331SS*.THydrogen-bonded Turntrans120.2-60.9173.400000114F473F473-G475 PolarHBondContact O-N 2.82Å
476D72.8Confident84.6Confident59 Ų5963.7 Ų63.732%0.31635%0.353SS..THydrogen-bonded Turntrans-92-14-173.558.49.3000113.9L478D476-L478 HydrophobicContact CB-CB 4.45Å; D476-L478 HydrophobicContact CB-CD1 4.03Å; D476-L478 HydrophobicContact CB-CG 4Å; D476-L478 PolarHBondContact O-N 3.29Å; D476-L478 PolarHBondContact OD1-N 3.19Å
477R81.6Confident84.3Confident205 Ų20566.5 Ų66.577%0.77436%0.363SS*.  trans5832.2-172.1-56.9-176.8176.3-169.7-3.3112.3P472P472-R477 VanDerWaalsContact CB-C 3.48Å; P472-R477 HydrophobicContact CG-CB 4.47Å
478L88.1Confident84Confident20 Ų2064.3 Ų64.311%0.10535%0.353CS..  trans-108.2151.3177.1-58175000111.7T71 T85 P472 F473 D476 L493 K494T71-L478 HydrophobicContact CG2-CD1 4.14Å; T85-L478 HydrophobicContact CG2-CD1 4.41Å; P472-L478 WeakPolarHBondContact CB-O 3.32Å; F473-L478 PolarHBondContact N-O 3.38Å; D476-L478 HydrophobicContact CB-CB 4.45Å; D476-L478 HydrophobicContact CB-CD1 4.03Å; D476-L478 HydrophobicContact CB-CG 4Å; D476-L478 PolarHBondContact O-N 3.29Å; D476-L478 PolarHBondContact OD1-N 3.19Å; L478-L493 WeakPolarHBondContact CA-O 3.24Å; L478-K494 HydrophobicContact CD2-CG 3.87Å
479Y90.9Very high83.9Confident17 Ų1765.2 Ų65.27%0.06736%0.359CS..EExtended strand (participates in β ladder)trans-93.7110.3175.8-64.9-94.7000108.8M470 P472 L481 S492 L493 V496 Y499M470-Y479 VanDerWaalsContact O-CE1 3.22Å; M470-Y479 WeakPolarHBondContact O-CE1 3.46Å; P472-Y479 HydrophobicContact CB-CD2 4.33Å; P472-Y479 HydrophobicContact CB-CE1 4.38Å; P472-Y479 HydrophobicContact CB-CE2 4.08Å; Y479-L481 PolarHBondContact O-N 2.89Å; Y479-S492 CarbonylContact O-C 3.52Å; Y479-S492 WeakPolarHBondContact O-CA 3.45Å; Y479-L493 PolarHBondContact N-O 3.36Å; Y479-L493 PolarHBondContact O-N 3.27Å; Y479-V496 HydrophobicContact CE1-CB 3.88Å; Y479-V496 HydrophobicContact CE1-CG2 3.94Å; Y479-V496 HydrophobicContact CE2-CB 4.28Å; Y479-Y499 AromaticContact CD1-CD1 3.78Å; Y479-Y499 HydrophobicContact CD1-CD1 3.78Å; Y479-Y499 HydrophobicContact CD1-CE1 4.41Å; Y479-Y499 AromaticContact CD1-CG 3.99Å; Y479-Y499 HydrophobicContact CD1-CG 3.99Å; Y479-Y499 HydrophobicContact CG-CD1 4.38Å; Y479-Y499 HydrophobicContact CG-CG 4.12Å
480R90.2Very high83.9Confident82 Ų8269.2 Ų69.231%0.30937%0.368SS..EExtended strand (participates in β ladder)trans-74.1128-178.1-70.5-175-179.7167.24.3110.6F473 E491 Y499F473-R480 HydrophobicContact CB-CG 4.4Å; F473-R480 VanDerWaalsContact CG-CZ 3.44Å; R480-E491 WeakPolarHBondContact CA-O 3.5Å; R480-Y499 VanDerWaalsContact O-CE2 3.24Å; R480-Y499 WeakPolarHBondContact O-CE2 3.38Å
481L90.4Very high84Confident13 Ų1369.6 Ų69.67%0.06837%0.369CS..PPolyproline II helixtrans-72.8147.4170.8-75.4172.8000110.4P12 V86 Y479 E491 L493 Y499 S502P12-L481 HydrophobicContact CB-CB 4.29Å; P12-L481 HydrophobicContact CB-CD1 4.4Å; V86-L481 HydrophobicContact CG1-CD1 4.34Å; V86-L481 HydrophobicContact CG2-CD1 4.33Å; Y479-L481 PolarHBondContact O-N 2.89Å; L481-E491 HydrophobicContact CB-CB 4.21Å; L481-E491 HydrophobicContact CD1-CB 4.09Å; L481-E491 PolarHBondContact N-O 2.89Å; L481-L493 HydrophobicContact CD1-CD1 4Å; L481-L493 HydrophobicContact CD1-CD2 4.36Å; L481-L493 HydrophobicContact CD1-CG 3.97Å; L481-L493 HydrophobicContact CD2-CD1 3.57Å; L481-L493 HydrophobicContact CD2-CG 4.29Å; L481-L493 HydrophobicContact CG-CD1 3.84Å; L481-L493 HydrophobicContact CG-CG 3.99Å; L481-Y499 HydrophobicContact CD2-CD2 4.32Å; L481-S502 WeakPolarHBondContact CD2-OG 3.37Å
482P85.3Confident84.4Confident45 Ų4565.5 Ų65.529%0.29235%0.351SS..PPolyproline II helixtrans-63.5135.7172.631.2-38.7000110L503 T508P482-L503 HydrophobicContact CG-CD2 4.24Å; P482-T508 HydrophobicContact CB-CG2 4.05Å; P482-T508 HydrophobicContact CG-CG2 3.71Å
483A84.6Confident84.8Confident56 Ų5663.3 Ų63.346%0.46334%0.337SS..PPolyproline II helixtrans-100.6141.5170.700000109.1N485 E488A483-N485 VanDerWaalsContact C-N 3.34Å; A483-E488 HydrophobicContact CB-CB 4.06Å
484A78.3Confident85.2Confident33 Ų3364.4 Ų64.427%0.27334%0.341SS..SBendtrans-83.7-10.3-177.900000113.7S14 K160 E488S14-A484 VanDerWaalsContact CB-CB 3.49Å; K160-A484 VanDerWaalsContact CE-O 3.28Å; K160-A484 WeakPolarHBondContact CE-O 3.39Å; K160-A484 PolarHBondContact NZ-O 2.79Å; K160-A484 VanDerWaalsContact NZ-O 3.09Å; A484-E488 WeakPolarHBondContact CB-OE1 3.43Å; A484-E488 PolarHBondContact N-OE2 3.34Å
485N80.2Confident86.4Confident50 Ų5062.4 Ų62.427%0.26732%0.322SS..SBendtrans-158.3169.3168.864.877.7000110.6A483 F487 E488A483-N485 VanDerWaalsContact C-N 3.34Å; N485-F487 PolarHBondContact O-N 2.9Å; N485-F487 WeakPolarHBondContact OD1-CA 3.43Å; N485-F487 VanDerWaalsContact OD1-CB 3.26Å; N485-F487 WeakPolarHBondContact OD1-CB 3.28Å; N485-F487 WeakPolarHBondContact OD1-CD2 3.35Å; N485-F487 PolarHBondContact OD1-N 2.87Å; N485-E488 PolarHBondContact ND2-OE1 2.81Å; N485-E488 PolarHBondContact O-N 2.85Å; N485-E488 PolarHBondContact OD1-N 2.94Å
486E85.2Confident87.4Confident168 Ų16858.8 Ų58.879%0.78528%0.283SS*.THydrogen-bonded Turntrans-67.6-16.7-176.964.4-178.5176.200115.2
487F87.6Confident88.4Confident87 Ų8756.2 Ų56.238%0.38227%0.27SS..THydrogen-bonded Turntrans-89.6-16.6-179.2-49.7-72.1000112.7L42 K48 N485L42-F487 HydrophobicContact CD1-CB 4.18Å; K48-F487 HydrophobicContact CB-CB 4.27Å; K48-F487 HydrophobicContact CD-CB 3.87Å; K48-F487 HydrophobicContact CD-CD1 3.41Å; K48-F487 VanDerWaalsContact CD-CD1 3.41Å; K48-F487 HydrophobicContact CD-CD2 3.8Å; K48-F487 HydrophobicContact CD-CE1 3.88Å; K48-F487 HydrophobicContact CD-CE2 4.24Å; K48-F487 HydrophobicContact CD-CG 3.38Å; K48-F487 HydrophobicContact CD-CZ 4.29Å; K48-F487 VanDerWaalsContact NZ-CE1 3.32Å; N485-F487 PolarHBondContact O-N 2.9Å; N485-F487 WeakPolarHBondContact OD1-CA 3.43Å; N485-F487 VanDerWaalsContact OD1-CB 3.26Å; N485-F487 WeakPolarHBondContact OD1-CB 3.28Å; N485-F487 WeakPolarHBondContact OD1-CD2 3.35Å; N485-F487 PolarHBondContact OD1-N 2.87Å
488E88.7Confident89Confident16 Ų1646.9 Ų46.98%0.07524%0.235CC..SBendtrans-67.4137.4174-75.6172.9-153.400110.3L13 S14 F19 L42 A483 A484 N485L13-E488 HydrophobicContact CD2-CG 4.38Å; S14-E488 WeakPolarHBondContact CB-OE2 3.29Å; F19-E488 HydrophobicContact CZ-CG 4.5Å; L42-E488 HydrophobicContact CD1-CG 4.02Å; A483-E488 HydrophobicContact CB-CB 4.06Å; A484-E488 WeakPolarHBondContact CB-OE1 3.43Å; A484-E488 PolarHBondContact N-OE2 3.34Å; N485-E488 PolarHBondContact ND2-OE1 2.81Å; N485-E488 PolarHBondContact O-N 2.85Å; N485-E488 PolarHBondContact OD1-N 2.94Å
489P90.9Very high89.2Confident25 Ų2547.6 Ų47.616%0.16224%0.236CC..PPolyproline II helixtrans-66.7150.8179.930.9-36000110.8L13 L50 F73 E491L13-P489 HydrophobicContact CD2-CG 4.04Å; L50-P489 HydrophobicContact CD2-CG 4.16Å; F73-P489 HydrophobicContact CE1-CB 3.55Å; F73-P489 HydrophobicContact CE1-CG 3.78Å; F73-P489 HydrophobicContact CZ-CB 3.77Å; F73-P489 HydrophobicContact CZ-CG 4.06Å; P489-E491 PolarHBondContact O-N 2.78Å
490R91.2Very high89.4Confident165 Ų16546.8 Ų46.862%0.62323%0.233SC*.PPolyproline II helixtrans-72.9116.9178.1-66.1-179.3179.71740.5110.2
491E93.4Very high89.6Confident8 Ų842.9 Ų42.94%0.03722%0.219CC..  trans-105.4147.1176-65.4-178108.600111.4P12 L13 F73 V86 V87 R480 L481 P489P12-E491 WeakPolarHBondContact CA-OE2 3.45Å; L13-E491 WeakPolarHBondContact CB-OE2 3.49Å; L13-E491 PolarHBondContact N-OE2 2.93Å; F73-E491 HydrophobicContact CE2-CG 3.95Å; F73-E491 HydrophobicContact CZ-CG 3.93Å; V86-E491 WeakPolarHBondContact CG1-OE1 3.44Å; V87-E491 WeakPolarHBondContact CB-OE1 3.47Å; V87-E491 PolarHBondContact N-OE1 3.44Å; R480-E491 WeakPolarHBondContact CA-O 3.5Å; L481-E491 HydrophobicContact CB-CB 4.21Å; L481-E491 HydrophobicContact CD1-CB 4.09Å; L481-E491 PolarHBondContact N-O 2.89Å; P489-E491 PolarHBondContact O-N 2.78Å
492S92.9Very high89.7Confident4 Ų442.3 Ų42.33%0.02822%0.215CC..EExtended strand (participates in β ladder)trans-143.3138.3-169.2-82.20000112.2T85 V86 Y479T85-S492 WeakPolarHBondContact CB-O 3.36Å; T85-S492 PolarHBondContact O-N 3.23Å; T85-S492 PolarHBondContact OG1-O 3.03Å; V86-S492 WeakPolarHBondContact CG2-O 3.36Å; Y479-S492 CarbonylContact O-C 3.52Å; Y479-S492 WeakPolarHBondContact O-CA 3.45Å
493L92.8Very high90Very high0 Ų040.2 Ų40.20%020%0.202CC..EExtended strand (participates in β ladder)trans-111.1155.1179.3-64.9174.6000111.8A10 V86 L478 Y479 L481 E498A10-L493 HydrophobicContact CB-CD2 4.24Å; V86-L493 HydrophobicContact CG2-CD2 3.56Å; V86-L493 HydrophobicContact CG2-CG 4.39Å; L478-L493 WeakPolarHBondContact CA-O 3.24Å; Y479-L493 PolarHBondContact N-O 3.36Å; Y479-L493 PolarHBondContact O-N 3.27Å; L481-L493 HydrophobicContact CD1-CD1 4Å; L481-L493 HydrophobicContact CD1-CD2 4.36Å; L481-L493 HydrophobicContact CD1-CG 3.97Å; L481-L493 HydrophobicContact CD2-CD1 3.57Å; L481-L493 HydrophobicContact CD2-CG 4.29Å; L481-L493 HydrophobicContact CG-CD1 3.84Å; L481-L493 HydrophobicContact CG-CG 3.99Å; L493-E498 HydrophobicContact CD1-CB 4.39Å; L493-E498 HydrophobicContact CD1-CG 3.95Å; L493-E498 HydrophobicContact CD2-CG 3.94Å; L493-E498 HydrophobicContact CG-CG 4.42Å
494K87.6Confident90.3Very high128 Ų12838 Ų3856%0.55718%0.182SC*.SBendtrans-94.4-20.9-172.8-66.1-178.8-177.7175.10114L478L478-K494 HydrophobicContact CD2-CG 3.87Å
495S90.5Very high90.8Very high49 Ų4939.5 Ų39.534%0.34319%0.185SC..  trans-126.8148.7-178.272.30000111.5D497 E498 Y499S495-D497 VanDerWaalsContact C-N 3.27Å; S495-D497 PolarHBondContact O-N 3.38Å; S495-E498 PolarHBondContact O-N 3.26Å; S495-E498 VanDerWaalsContact OG-CB 3.23Å; S495-E498 WeakPolarHBondContact OG-CB 3.26Å; S495-E498 PolarHBondContact OG-N 2.83Å; S495-E498 VanDerWaalsContact OG-N 3.11Å; S495-Y499 PolarHBondContact O-N 3.25Å
496V92.6Very high91Very high4 Ų438.6 Ų38.62%0.02418%0.182CC..Hα-helixtrans-63.3-35.8174.867.60000111.8E420 L423 L447 L455 M470 Y479 Y499 I500E420-V496 HydrophobicContact CB-CG1 3.78Å; L423-V496 HydrophobicContact CD1-CG1 3.74Å; L447-V496 HydrophobicContact CD1-CG1 4.45Å; L447-V496 HydrophobicContact CD1-CG2 4.42Å; L455-V496 HydrophobicContact CD2-CB 4.32Å; L455-V496 HydrophobicContact CD2-CG1 4.28Å; L455-V496 HydrophobicContact CD2-CG2 3.93Å; M470-V496 HydrophobicContact CB-CG2 4.23Å; Y479-V496 HydrophobicContact CE1-CB 3.88Å; Y479-V496 HydrophobicContact CE1-CG2 3.94Å; Y479-V496 HydrophobicContact CE2-CB 4.28Å; V496-Y499 PolarHBondContact O-N 2.93Å; V496-I500 HydrophobicContact CG2-CD1 3.78Å; V496-I500 HydrophobicContact CG2-CG1 4.28Å; V496-I500 WeakPolarHBondContact O-CB 3.36Å; V496-I500 WeakPolarHBondContact O-CG1 3.38Å; V496-I500 PolarHBondContact O-N 3.39Å
497D94Very high91Very high6 Ų635.3 Ų35.33%0.03216%0.162CC..Hα-helixtrans-62.5-49.2176.8-17451.6000110.2L414 E415 L423 Y425 S495 Y499 I500 K501L414-D497 VanDerWaalsContact CA-OD2 3.28Å; L414-D497 WeakPolarHBondContact CA-OD2 3.47Å; E415-D497 PolarHBondContact N-OD2 3.34Å; L423-D497 HydrophobicContact CD1-CB 4.22Å; L423-D497 HydrophobicContact CD2-CB 3.67Å; Y425-D497 WeakPolarHBondContact OH-CA 3.25Å; Y425-D497 PolarHBondContact OH-OD1 3.37Å; S495-D497 VanDerWaalsContact C-N 3.27Å; S495-D497 PolarHBondContact O-N 3.38Å; D497-Y499 VanDerWaalsContact C-N 3.29Å; D497-Y499 PolarHBondContact O-N 2.88Å; D497-I500 PolarHBondContact O-N 3.2Å; D497-K501 WeakPolarHBondContact O-CB 3.37Å; D497-K501 WeakPolarHBondContact O-CG 3.45Å; D497-K501 PolarHBondContact O-N 2.89Å; D497-K501 WeakPolarHBondContact OD1-CE 3.4Å
498E93Very high91.1Very high8 Ų832.3 Ų32.34%0.03715%0.151CC..Hα-helixtrans-62.5-39.9179.1-167.4174.7-16700112.3P9 A10 R89 L414 L493 S495 S502P9-E498 HydrophobicContact CB-CG 3.91Å; A10-E498 PolarHBondContact N-OE1 2.94Å; R89-E498 IonicContact CZ-OE1 3.27Å; R89-E498 IonicContact CZ-OE2 3.27Å; R89-E498 IonicContact NE-OE1 2.77Å; R89-E498 IonicContact NH1-OE2 3.61Å; R89-E498 IonicContact NH2-OE1 2.86Å; R89-E498 PolarHBondContact NH2-OE1 3.35Å; R89-E498 IonicContact NH2-OE2 2.72Å; R89-E498 PolarHBondContact NH2-OE2 2.85Å; L414-E498 HydrophobicContact CD1-CG 4.42Å; L414-E498 VanDerWaalsContact CD2-CA 3.49Å; L414-E498 HydrophobicContact CD2-CB 3.86Å; L414-E498 HydrophobicContact CD2-CG 4.04Å; L493-E498 HydrophobicContact CD1-CB 4.39Å; L493-E498 HydrophobicContact CD1-CG 3.95Å; L493-E498 HydrophobicContact CD2-CG 3.94Å; L493-E498 HydrophobicContact CG-CG 4.42Å; S495-E498 PolarHBondContact O-N 3.26Å; S495-E498 VanDerWaalsContact OG-CB 3.23Å; S495-E498 WeakPolarHBondContact OG-CB 3.26Å; S495-E498 PolarHBondContact OG-N 2.83Å; S495-E498 VanDerWaalsContact OG-N 3.11Å; E498-S502 VanDerWaalsContact O-CB 3.26Å; E498-S502 WeakPolarHBondContact O-CB 3.42Å; E498-S502 PolarHBondContact O-N 2.75Å
499Y93.9Very high91.1Very high35 Ų3532.7 Ų32.714%0.13715%0.154CC..Hα-helixtrans-59.5-56.3174.1176.3-116.4000111.9M470 Y479 R480 L481 S495 V496 D497 K501 S502 L503M470-Y499 HydrophobicContact SD-CD1 4.32Å; M470-Y499 HydrophobicContact SD-CE1 3.99Å; Y479-Y499 AromaticContact CD1-CD1 3.78Å; Y479-Y499 HydrophobicContact CD1-CD1 3.78Å; Y479-Y499 HydrophobicContact CD1-CE1 4.41Å; Y479-Y499 AromaticContact CD1-CG 3.99Å; Y479-Y499 HydrophobicContact CD1-CG 3.99Å; Y479-Y499 HydrophobicContact CG-CD1 4.38Å; Y479-Y499 HydrophobicContact CG-CG 4.12Å; R480-Y499 VanDerWaalsContact O-CE2 3.24Å; R480-Y499 WeakPolarHBondContact O-CE2 3.38Å; L481-Y499 HydrophobicContact CD2-CD2 4.32Å; S495-Y499 PolarHBondContact O-N 3.25Å; V496-Y499 PolarHBondContact O-N 2.93Å; D497-Y499 VanDerWaalsContact C-N 3.29Å; D497-Y499 PolarHBondContact O-N 2.88Å; Y499-K501 VanDerWaalsContact C-N 3.32Å; Y499-K501 PolarHBondContact O-N 3.15Å; Y499-S502 WeakPolarHBondContact O-CB 3.12Å; Y499-S502 PolarHBondContact O-N 2.84Å; Y499-S502 VanDerWaalsContact O-N 3.13Å; Y499-L503 HydrophobicContact CD1-CD1 4.03Å; Y499-L503 HydrophobicContact CD2-CD1 4.39Å; Y499-L503 HydrophobicContact CD2-CG 4.41Å; Y499-L503 HydrophobicContact CE1-CD1 3.59Å; Y499-L503 HydrophobicContact CE2-CD1 3.97Å; Y499-L503 HydrophobicContact CE2-CD2 4.06Å; Y499-L503 HydrophobicContact CE2-CG 4.12Å; Y499-L503 HydrophobicContact CG-CD1 4.42Å; Y499-L503 VanDerWaalsContact O-CG 3.31Å; Y499-L503 WeakPolarHBondContact O-CG 3.31Å; Y499-L503 PolarHBondContact O-N 3.1Å
500I94.2Very high90.9Very high0 Ų032.9 Ų32.90%015%0.154CC..Hα-helixtrans-57.1-45.9179.6-74171.8000111.4Y425 F445 L447 M470 V496 D497 S502 L503 I504 L515Y425-I500 HydrophobicContact CE2-CD1 4.17Å; F445-I500 HydrophobicContact CE1-CG2 4.37Å; F445-I500 HydrophobicContact CE2-CD1 4.42Å; F445-I500 HydrophobicContact CE2-CG2 3.63Å; F445-I500 HydrophobicContact CZ-CG2 3.44Å; F445-I500 VanDerWaalsContact CZ-CG2 3.44Å; L447-I500 HydrophobicContact CD1-CD1 3.95Å; L447-I500 HydrophobicContact CD2-CD1 3.83Å; L447-I500 HydrophobicContact CG-CD1 4.16Å; M470-I500 HydrophobicContact CE-CG1 4.32Å; M470-I500 HydrophobicContact SD-CG1 4.38Å; V496-I500 HydrophobicContact CG2-CD1 3.78Å; V496-I500 HydrophobicContact CG2-CG1 4.28Å; V496-I500 WeakPolarHBondContact O-CB 3.36Å; V496-I500 WeakPolarHBondContact O-CG1 3.38Å; V496-I500 PolarHBondContact O-N 3.39Å; D497-I500 PolarHBondContact O-N 3.2Å; I500-S502 VanDerWaalsContact C-N 3.32Å; I500-S502 PolarHBondContact O-N 3Å; I500-L503 WeakPolarHBondContact O-CB 3.49Å; I500-L503 PolarHBondContact O-N 3.17Å; I500-I504 HydrophobicContact CG2-CD1 3.78Å; I500-I504 HydrophobicContact CG2-CG1 4.44Å; I500-I504 VanDerWaalsContact O-CG1 3.28Å; I500-I504 WeakPolarHBondContact O-CG1 3.49Å; I500-I504 PolarHBondContact O-N 3.24Å; I500-L515 HydrophobicContact CG1-CD1 4.41Å; I500-L515 HydrophobicContact CG2-CD1 4.12Å
501K93.5Very high90.7Very high1 Ų133.1 Ų33.10%0.00415%0.154CC..Hα-helixtrans-65.1-37.4-179.8-61.1-69.5-178-1630111.3P9 H411 Y413 L414 D497 Y499 L503 I504 L505P9-K501 HydrophobicContact CB-CB 3.84Å; P9-K501 HydrophobicContact CG-CB 3.64Å; H411-K501 WeakPolarHBondContact O-CD 3.5Å; H411-K501 VanDerWaalsContact O-CE 3.31Å; H411-K501 WeakPolarHBondContact O-CE 3.27Å; H411-K501 PolarHBondContact O-NZ 3.35Å; Y413-K501 VanDerWaalsContact O-CE 3.31Å; Y413-K501 WeakPolarHBondContact O-CE 3.45Å; L414-K501 HydrophobicContact CD2-CB 4.16Å; L414-K501 HydrophobicContact CD2-CG 4.07Å; D497-K501 WeakPolarHBondContact O-CB 3.37Å; D497-K501 WeakPolarHBondContact O-CG 3.45Å; D497-K501 PolarHBondContact O-N 2.89Å; D497-K501 WeakPolarHBondContact OD1-CE 3.4Å; Y499-K501 VanDerWaalsContact C-N 3.32Å; Y499-K501 PolarHBondContact O-N 3.15Å; K501-L503 VanDerWaalsContact C-N 3.34Å; K501-I504 HydrophobicContact CD-CD1 4.32Å; K501-I504 PolarHBondContact O-N 2.78Å; K501-L505 VanDerWaalsContact O-CB 3.28Å; K501-L505 WeakPolarHBondContact O-CB 3.31Å; K501-L505 PolarHBondContact O-N 2.8Å
502S92.5Very high90.4Very high0 Ų033.1 Ų33.10%016%0.156CC..Hα-helixtrans-62-42.3174-169.10000111.6A10 L481 E498 Y499 I500 L505 T506A10-S502 VanDerWaalsContact O-CB 3.26Å; A10-S502 WeakPolarHBondContact O-CB 3.44Å; A10-S502 PolarHBondContact O-OG 3.14Å; L481-S502 WeakPolarHBondContact CD2-OG 3.37Å; E498-S502 VanDerWaalsContact O-CB 3.26Å; E498-S502 WeakPolarHBondContact O-CB 3.42Å; E498-S502 PolarHBondContact O-N 2.75Å; Y499-S502 WeakPolarHBondContact O-CB 3.12Å; Y499-S502 PolarHBondContact O-N 2.84Å; Y499-S502 VanDerWaalsContact O-N 3.13Å; I500-S502 VanDerWaalsContact C-N 3.32Å; I500-S502 PolarHBondContact O-N 3Å; S502-L505 PolarHBondContact O-N 2.87Å; S502-T506 WeakPolarHBondContact O-CB 3.47Å; S502-T506 WeakPolarHBondContact O-CG2 3.46Å; S502-T506 PolarHBondContact O-N 2.94Å; S502-T506 PolarHBondContact O-OG1 3.05Å
503L92.5Very high90.3Very high1 Ų133 Ų331%0.00516%0.156CC..Hα-helixtrans-64.1-41.2176.1-62172.3000112.7P482 Y499 I500 K501 T506 R507 T508 I510 L515P482-L503 HydrophobicContact CG-CD2 4.24Å; Y499-L503 HydrophobicContact CD1-CD1 4.03Å; Y499-L503 HydrophobicContact CD2-CD1 4.39Å; Y499-L503 HydrophobicContact CD2-CG 4.41Å; Y499-L503 HydrophobicContact CE1-CD1 3.59Å; Y499-L503 HydrophobicContact CE2-CD1 3.97Å; Y499-L503 HydrophobicContact CE2-CD2 4.06Å; Y499-L503 HydrophobicContact CE2-CG 4.12Å; Y499-L503 HydrophobicContact CG-CD1 4.42Å; Y499-L503 VanDerWaalsContact O-CG 3.31Å; Y499-L503 WeakPolarHBondContact O-CG 3.31Å; Y499-L503 PolarHBondContact O-N 3.1Å; I500-L503 WeakPolarHBondContact O-CB 3.49Å; I500-L503 PolarHBondContact O-N 3.17Å; K501-L503 VanDerWaalsContact C-N 3.34Å; L503-T506 PolarHBondContact O-OG1 2.86Å; L503-R507 WeakPolarHBondContact O-CA 3.42Å; L503-R507 PolarHBondContact O-N 2.71Å; L503-T508 HydrophobicContact CD2-CG2 3.81Å; L503-T508 PolarHBondContact O-N 3.03Å; L503-I510 HydrophobicContact CD1-CD1 3.25Å; L503-I510 HydrophobicContact CD2-CD1 3.66Å; L503-I510 HydrophobicContact CD2-CG1 4.41Å; L503-I510 HydrophobicContact CG-CD1 4.01Å; L503-L515 HydrophobicContact CD1-CD1 4.17Å
504I91.8Very high90.3Very high10 Ų1033.1 Ų33.15%0.05116%0.156CC..Hα-helixtrans-64.1-48.9175.6-64.2163000110L412 F445 I500 K501 T506 R507 L515 R516L412-I504 HydrophobicContact CD2-CG2 3.64Å; F445-I504 HydrophobicContact CE1-CD1 3.59Å; F445-I504 HydrophobicContact CE1-CG1 4.32Å; F445-I504 HydrophobicContact CZ-CD1 3.71Å; I500-I504 HydrophobicContact CG2-CD1 3.78Å; I500-I504 HydrophobicContact CG2-CG1 4.44Å; I500-I504 VanDerWaalsContact O-CG1 3.28Å; I500-I504 WeakPolarHBondContact O-CG1 3.49Å; I500-I504 PolarHBondContact O-N 3.24Å; K501-I504 HydrophobicContact CD-CD1 4.32Å; K501-I504 PolarHBondContact O-N 2.78Å; I504-T506 VanDerWaalsContact C-N 3.31Å; I504-T506 PolarHBondContact O-N 3.22Å; I504-R507 PolarHBondContact O-N 2.8Å; I504-R507 VanDerWaalsContact O-N 3.11Å; I504-L515 HydrophobicContact CG1-CB 3.67Å; I504-L515 WeakPolarHBondContact CG1-O 3.42Å; I504-R516 WeakPolarHBondContact CG2-O 3.49Å
505L87.3Confident90.6Very high65 Ų6527.2 Ų27.234%0.3413%0.131SC..Hα-helixtrans-59.7-42.1-177.6-177.264.8000111.7P9 K501 S502P9-L505 HydrophobicContact CG-CB 4.4Å; P9-L505 HydrophobicContact CG-CD2 3.99Å; K501-L505 VanDerWaalsContact O-CB 3.28Å; K501-L505 WeakPolarHBondContact O-CB 3.31Å; K501-L505 PolarHBondContact O-N 2.8Å; S502-L505 PolarHBondContact O-N 2.87Å
506T84.3Confident90.5Very high31 Ų3127.5 Ų27.519%0.1913%0.125CC..THydrogen-bonded Turntrans-87.1-3.7178.856.70000114.3P12 A15 S502 L503 I504 T508P12-T506 HydrophobicContact CG-CG2 3.91Å; A15-T506 HydrophobicContact CB-CG2 3.5Å; A15-T506 VanDerWaalsContact CB-CG2 3.5Å; S502-T506 WeakPolarHBondContact O-CB 3.47Å; S502-T506 WeakPolarHBondContact O-CG2 3.46Å; S502-T506 PolarHBondContact O-N 2.94Å; S502-T506 PolarHBondContact O-OG1 3.05Å; L503-T506 PolarHBondContact O-OG1 2.86Å; I504-T506 VanDerWaalsContact C-N 3.31Å; I504-T506 PolarHBondContact O-N 3.22Å; T506-T508 PolarHBondContact O-N 2.92Å; T506-T508 PolarHBondContact OG1-OG1 3.3Å
507R86.3Confident90.4Very high99 Ų9932.9 Ų32.937%0.37414%0.144SC..THydrogen-bonded Turntrans50.340-173.9-55.9177.1-179.6172.6-3.7112.2S225 R226 G228 M235 K237 L503 I504 V514S225-R507 PolarHBondContact O-NH1 3.19Å; R226-R507 PolarHBondContact O-NH1 3.42Å; R226-R507 PolarHBondContact O-NH2 2.74Å; R226-R507 VanDerWaalsContact O-NH2 3.11Å; G228-R507 VanDerWaalsContact CA-NH1 3.28Å; M235-R507 HydrophobicContact CE-CB 4.05Å; K237-R507 WeakPolarHBondContact CE-O 3.42Å; K237-R507 PolarHBondContact NZ-O 2.52Å; L503-R507 WeakPolarHBondContact O-CA 3.42Å; L503-R507 PolarHBondContact O-N 2.71Å; I504-R507 PolarHBondContact O-N 2.8Å; I504-R507 VanDerWaalsContact O-N 3.11Å; R507-V514 HydrophobicContact CB-CG1 4.07Å
508T88.4Confident90.3Very high23 Ų2332.9 Ų32.914%0.14115%0.145CC..  trans-63.7136-178.2-68.70000110P482 L503 T506 I510P482-T508 HydrophobicContact CB-CG2 4.05Å; P482-T508 HydrophobicContact CG-CG2 3.71Å; L503-T508 HydrophobicContact CD2-CG2 3.81Å; L503-T508 PolarHBondContact O-N 3.03Å; T506-T508 PolarHBondContact O-N 2.92Å; T506-T508 PolarHBondContact OG1-OG1 3.3Å; T508-I510 HydrophobicContact CG2-CG1 4Å
509V88.7Confident90.4Very high24 Ų2433.9 Ų33.915%0.14515%0.151CC..EExtended strand (participates in β ladder)trans-84.3123.9172.6-174.80000108.6D161 W182 V513 V514D161-V509 HydrophobicContact CB-CB 4.11Å; D161-V509 HydrophobicContact CB-CG2 3.84Å; D161-V509 WeakPolarHBondContact OD2-CB 3.36Å; D161-V509 VanDerWaalsContact OD2-CG1 3.3Å; D161-V509 WeakPolarHBondContact OD2-CG1 3.49Å; W182-V509 HydrophobicContact CE3-CG2 4.38Å; W182-V509 HydrophobicContact CH2-CG1 4.39Å; W182-V509 HydrophobicContact CH2-CG2 3.48Å; W182-V509 VanDerWaalsContact CH2-CG2 3.48Å; W182-V509 HydrophobicContact CZ2-CG1 4.12Å; W182-V509 HydrophobicContact CZ2-CG2 4.06Å; W182-V509 HydrophobicContact CZ3-CG2 3.66Å; V509-V513 WeakPolarHBondContact CA-O 3.37Å; V509-V514 HydrophobicContact CG2-CG2 3.84Å
510I87.8Confident90.2Very high30 Ų3036.7 Ų36.715%0.15416%0.164CC..EExtended strand (participates in β ladder)trans-125.3119.6174.3-62.9-172.2000107.8I468 L503 T508 G512 V513I468-I510 HydrophobicContact CD1-CB 4.49Å; I468-I510 HydrophobicContact CD1-CG2 4.19Å; I468-I510 HydrophobicContact CG2-CG2 3.98Å; L503-I510 HydrophobicContact CD1-CD1 3.25Å; L503-I510 HydrophobicContact CD2-CD1 3.66Å; L503-I510 HydrophobicContact CD2-CG1 4.41Å; L503-I510 HydrophobicContact CG-CD1 4.01Å; T508-I510 HydrophobicContact CG2-CG1 4Å; I510-G512 PolarHBondContact O-N 2.99Å; I510-V513 PolarHBondContact N-O 3.13Å; I510-V513 VanDerWaalsContact O-CG2 3.26Å; I510-V513 WeakPolarHBondContact O-CG2 3.27Å; I510-V513 PolarHBondContact O-N 3.47Å
511R85.9Confident89.6Confident169 Ų16942.7 Ų42.764%0.63819%0.187SC*.THydrogen-bonded Turntrans50.240.6-178-57.2-175.567.6-171.72.4112.3E467 V513E467-R511 PolarHBondContact O-NH1 3.47Å; R511-V513 VanDerWaalsContact C-N 3.32Å; R511-V513 PolarHBondContact O-N 2.82Å
512G87.7Confident88.2Confident8 Ų851 Ų518%0.08222%0.223CC..THydrogen-bonded Turntrans75.78.517900000116.4W182 N183 W461 I510W182-G512 PolarHBondContact NE1-O 3.47Å; W182-G512 VanDerWaalsContact NE1-O 3.13Å; N183-G512 WeakPolarHBondContact OD1-CA 3.3Å; N183-G512 PolarHBondContact OD1-N 2.52Å; W461-G512 PolarHBondContact NE1-O 3.23Å; I510-G512 PolarHBondContact O-N 2.99Å
513V92Very high86.3Confident3 Ų357.2 Ų57.22%0.01825%0.252CS..EExtended strand (participates in β ladder)trans-121.8155.4177.7-49.50000112.6V459 W461 V466 I468 V509 I510 R511V459-V513 HydrophobicContact CB-CG2 4.32Å; V459-V513 HydrophobicContact CG1-CB 4.45Å; V459-V513 HydrophobicContact CG1-CG2 4.19Å; V459-V513 HydrophobicContact CG2-CG2 4.35Å; W461-V513 HydrophobicContact CB-CB 3.88Å; W461-V513 HydrophobicContact CB-CG1 3.46Å; W461-V513 VanDerWaalsContact CB-CG1 3.46Å; W461-V513 HydrophobicContact CD2-CB 4.13Å; W461-V513 HydrophobicContact CD2-CG1 4.44Å; W461-V513 HydrophobicContact CE3-CB 4.45Å; W461-V513 HydrophobicContact CG-CB 3.87Å; W461-V513 HydrophobicContact CG-CG1 3.67Å; V466-V513 HydrophobicContact CB-CG1 3.92Å; V466-V513 HydrophobicContact CG1-CG1 4.28Å; V466-V513 HydrophobicContact CG2-CG1 3.59Å; I468-V513 HydrophobicContact CD1-CG2 3.65Å; V509-V513 WeakPolarHBondContact CA-O 3.37Å; I510-V513 PolarHBondContact N-O 3.13Å; I510-V513 VanDerWaalsContact O-CG2 3.26Å; I510-V513 WeakPolarHBondContact O-CG2 3.27Å; I510-V513 PolarHBondContact O-N 3.47Å; R511-V513 VanDerWaalsContact C-N 3.32Å; R511-V513 PolarHBondContact O-N 2.82Å
514V92.1Very high83.6Confident1 Ų165.7 Ų65.71%0.00629%0.289CS..EExtended strand (participates in β ladder)trans-119.2122.8173.2-179.40000109.6W182 M235 G443 W461 R507 V509W182-V514 HydrophobicContact CH2-CG2 3.85Å; W182-V514 HydrophobicContact CZ2-CG2 4.31Å; M235-V514 HydrophobicContact CE-CB 4.48Å; M235-V514 HydrophobicContact CE-CG1 4.28Å; M235-V514 HydrophobicContact CE-CG2 3.87Å; M235-V514 HydrophobicContact SD-CB 4.34Å; M235-V514 HydrophobicContact SD-CG1 4.44Å; M235-V514 HydrophobicContact SD-CG2 4.11Å; G443-V514 WeakPolarHBondContact CA-O 3.22Å; W461-V514 HydrophobicContact CE3-CB 4.43Å; W461-V514 HydrophobicContact CH2-CB 3.69Å; W461-V514 HydrophobicContact CH2-CG2 3.91Å; W461-V514 HydrophobicContact CZ2-CG2 4.42Å; W461-V514 HydrophobicContact CZ3-CB 3.61Å; W461-V514 HydrophobicContact CZ3-CG2 4.31Å; W461-V514 WeakPolarHBondContact CZ3-O 3.29Å; R507-V514 HydrophobicContact CB-CG1 4.07Å; V509-V514 HydrophobicContact CG2-CG2 3.84Å
515L93.2Very high81Confident5 Ų570.9 Ų70.93%0.02632%0.317CS..  trans-69.6131.2173.8-58.6179.7000109.5F445 V459 I468 M470 I500 L503 I504F445-L515 HydrophobicContact CB-CD2 3.92Å; F445-L515 HydrophobicContact CD1-CB 4.15Å; F445-L515 HydrophobicContact CD1-CD2 4.08Å; F445-L515 HydrophobicContact CE1-CB 4.27Å; F445-L515 HydrophobicContact CG-CD2 3.94Å; V459-L515 HydrophobicContact CB-CD2 4.29Å; V459-L515 HydrophobicContact CG1-CD2 3.93Å; V459-L515 HydrophobicContact CG2-CD2 3.32Å; I468-L515 HydrophobicContact CD1-CD2 4.4Å; M470-L515 HydrophobicContact CE-CD1 4.19Å; I500-L515 HydrophobicContact CG1-CD1 4.41Å; I500-L515 HydrophobicContact CG2-CD1 4.12Å; L503-L515 HydrophobicContact CD1-CD1 4.17Å; I504-L515 HydrophobicContact CG1-CB 3.67Å; I504-L515 WeakPolarHBondContact CG1-O 3.42Å
516R89.2Confident78.4Confident55 Ų5577.6 Ų77.621%0.20834%0.343CS..  trans-121-63.5176.6-63.9-177178.7169.34.1111.3G228 M235 H411 G443 I504G228-R516 VanDerWaalsContact O-CZ 3.24Å; G228-R516 PolarHBondContact O-NH2 2.79Å; M235-R516 PolarHBondContact SD-NH2 2.84Å; M235-R516 VanDerWaalsContact SD-NH2 3.37Å; H411-R516 PolarHBondContact CD2-O 2.87Å; H411-R516 PolarHBondContact NE2-O 2.8Å; G443-R516 WeakPolarHBondContact O-CA 3.35Å; G443-R516 PolarHBondContact O-N 2.97Å; I504-R516 WeakPolarHBondContact CG2-O 3.49Å
517R89.3Confident76.1Confident116 Ų11683.9 Ų83.944%0.43838%0.375SS..EExtended strand (participates in β ladder)trans-127.2124.8-167.4-174.8-174.5-68.1170.3-0.4112G443 D444 F445 V519G443-R517 PolarHBondContact O-N 3.36Å; D444-R517 CarbonylContact C-O 3.53Å; D444-R517 VanDerWaalsContact CA-O 3.29Å; D444-R517 WeakPolarHBondContact CA-O 3.5Å; F445-R517 VanDerWaalsContact CD1-C 3.48Å; F445-R517 VanDerWaalsContact CD1-O 3.25Å; F445-R517 WeakPolarHBondContact CD1-O 3.44Å; F445-R517 PolarHBondContact N-O 3.23Å; R517-V519 PolarHBondContact O-N 3.15Å
518P93.7Very high73.7Confident7 Ų788.4 Ų88.45%0.04540%0.397CS..EExtended strand (participates in β ladder)trans-72.8127.6170.228.2-30.4000110.2H411 Y425 F445 K520H411-P518 HydrophobicContact CB-CG 3.77Å; Y425-P518 HydrophobicContact CD1-CB 3.74Å; Y425-P518 HydrophobicContact CD1-CG 4.38Å; Y425-P518 HydrophobicContact CD2-CB 4.23Å; Y425-P518 HydrophobicContact CE1-CB 4.48Å; Y425-P518 HydrophobicContact CG-CB 3.59Å; F445-P518 HydrophobicContact CE1-CB 4.02Å; F445-P518 HydrophobicContact CE1-CG 4.46Å; F445-P518 VanDerWaalsContact CE1-N 3.29Å; F445-P518 HydrophobicContact CE2-CB 4.02Å; F445-P518 HydrophobicContact CZ-CB 3.6Å; F445-P518 HydrophobicContact CZ-CG 4.21Å; F445-P518 CarbonylContact O-C 3.58Å; F445-P518 WeakPolarHBondContact O-CA 3.48Å; P518-K520 PolarHBondContact O-N 3.42Å
519V93.5Very high71.2Confident28 Ų2895.3 Ų95.317%0.1743%0.425CS..PPolyproline II helixtrans-76.3117.1165.7178.60000107.6Y425 F427 L438 L439 D444 F445 R517Y425-V519 WeakPolarHBondContact CA-O 3.37Å; Y425-V519 VanDerWaalsContact CB-O 3.3Å; Y425-V519 WeakPolarHBondContact CB-O 3.36Å; F427-V519 VanDerWaalsContact CE2-O 3.27Å; F427-V519 WeakPolarHBondContact CE2-O 3.41Å; F427-V519 HydrophobicContact CZ-CG1 4.3Å; L438-V519 HydrophobicContact CB-CG1 4.41Å; L439-V519 HydrophobicContact CD2-CB 4.39Å; L439-V519 HydrophobicContact CD2-CG2 3.72Å; D444-V519 HydrophobicContact CB-CG2 4.02Å; F445-V519 PolarHBondContact O-N 2.83Å; R517-V519 PolarHBondContact O-N 3.15Å
520K90.9Very high68.5Low95 Ų9598 Ų9841%0.41346%0.458SS..PPolyproline II helixtrans-89.8137.7-176.3-61-171.7173.2-174.60111.8S424 P518 K522S424-K520 CarbonylContact O-C 3.53Å; S424-K520 WeakPolarHBondContact O-CA 3.24Å; S424-K520 VanDerWaalsContact OG-CD 3.29Å; S424-K520 WeakPolarHBondContact OG-CD 3.06Å; S424-K520 WeakPolarHBondContact OG-CE 3.22Å; S424-K520 WeakPolarHBondContact OG-CG 3.49Å; P518-K520 PolarHBondContact O-N 3.42Å; K520-K522 PolarHBondContact O-N 2.79Å
521W80.9Confident65.9Low126 Ų126103 Ų10348%0.47749%0.485SS..  trans-66.1111.3171.6-175.6-76.4000110.2S424 F427 Q523S424-W521 PolarHBondContact O-N 2.86Å; F427-W521 HydrophobicContact CB-CE3 4.03Å; F427-W521 HydrophobicContact CB-CZ3 4.17Å; F427-W521 HydrophobicContact CD1-CD2 4.27Å; F427-W521 AromaticContact CD1-CE3 3.09Å; F427-W521 HydrophobicContact CD1-CE3 3.09Å; F427-W521 AromaticContact CD1-CZ3 3.37Å; F427-W521 HydrophobicContact CD1-CZ3 3.37Å; F427-W521 HydrophobicContact CD2-CE3 4.27Å; F427-W521 HydrophobicContact CE1-CB 4.39Å; F427-W521 HydrophobicContact CE1-CD2 4.18Å; F427-W521 AromaticContact CE1-CE3 3.36Å; F427-W521 HydrophobicContact CE1-CE3 3.36Å; F427-W521 AromaticContact CE1-CZ3 3.92Å; F427-W521 HydrophobicContact CE1-CZ3 3.92Å; F427-W521 HydrophobicContact CE2-CB 4.12Å; F427-W521 HydrophobicContact CE2-CE3 4.49Å; F427-W521 AromaticContact CG-CE3 3.57Å; F427-W521 HydrophobicContact CG-CE3 3.57Å; F427-W521 HydrophobicContact CG-CZ3 4.02Å; F427-W521 HydrophobicContact CZ-CB 3.98Å; F427-W521 HydrophobicContact CZ-CE3 4.09Å; W521-Q523 PolarHBondContact O-N 2.96Å
522K64.8Low63.3Low174 Ų174100.4 Ų100.476%0.75749%0.493SS*.  trans-76.188.1172.8-70.4-172.7179.6-177.70110.2K520 K524K520-K522 PolarHBondContact O-N 2.79Å; K522-K524 PolarHBondContact O-N 2.84Å; K522-K524 VanDerWaalsContact O-N 3.13Å
523Q52.3Low60.8Low132 Ų132105.9 Ų105.962%0.61753%0.527SS*.THydrogen-bonded Turntrans-72.20.1177.1-138.6177.423.200113.8W521W521-Q523 PolarHBondContact O-N 2.96Å
524K35.2Very low58Low179 Ų179111 Ų11178%0.77856%0.563SS**THydrogen-bonded Turntrans-106-4.4-159.4-104.9178.9179.8173.10118.6K522K522-K524 PolarHBondContact O-N 2.84Å; K522-K524 VanDerWaalsContact O-N 3.13Å
525D36.7Very low55.3Low119 Ų119117.6 Ų117.664%0.63661%0.605SS**SBendtrans-104.8-10.4-177.1-67.4-34.5000115.6
526K34.3Very low52.3Low205 Ų205121.2 Ų121.289%0.89164%0.644SS**SBendtrans-92.8-4.9178.2-74.2-169.2176.5-1770115.7
527L35.3Very low49.6Very low164 Ų164121.9 Ų121.986%0.85967%0.668SS**SBendtrans-105.42.1178-98.8128.5000114.2
528K36.4Very low46.7Very low194 Ų194126 Ų12684%0.84369%0.693SS**SBendtrans-118.1-9179.6-79.3-171.4175-174.90115.6
529K35.2Very low43.8Very low167 Ų167135.1 Ų135.173%0.72673%0.732SS**  trans-102.7103.4167.6-79.7-173.4174.7-176.30108.8D531K529-D531 PolarHBondContact O-N 3.38Å
530G32.7Very low41Very low81 Ų81143.7 Ų143.784%0.83577%0.767SS**  trans-74.660176.600000112.3
531D33.4Very low38.2Very low136 Ų136144.1 Ų144.173%0.72778%0.782SS**  trans-96.2101.2169.9-67.1-35.2000108.1K529 P533K529-D531 PolarHBondContact O-N 3.38Å; D531-P533 WeakPolarHBondContact O-CD 3.45Å
532S30.5Very low36.1Very low113 Ų113143.6 Ų143.679%0.7979%0.794SS**PPolyproline II helixtrans-64.1120.8172.345.70000110.5
533P35.2Very low34.8Very low124 Ų124141 Ų14181%0.80580%0.795SS**PPolyproline II helixtrans-88.4131.5170.218.8-3.8000110.6D531D531-P533 WeakPolarHBondContact O-CD 3.45Å
534S33.9Very low33.8Very low111 Ų111143.1 Ų143.178%0.77681%0.805SS**PPolyproline II helixtrans-54.1153.1171.5-54.90000112.9G536S534-G536 PolarHBondContact O-N 2.99Å
535P33.8Very low33.8Very low138 Ų138144 Ų14490%0.89680%0.804SS**SBendtrans-82.9114.7-174.432.9-29.7000110.2
536G31.2Very low33.7Very low82 Ų82146.7 Ų146.785%0.84581%0.81SS**  trans164.589.517300000112.1S534S534-G536 PolarHBondContact O-N 2.99Å
537G31.6Very low33.7Very low69 Ų69149.2 Ų149.271%0.71181%0.814SS**  trans147.810417500000111.3F539G537-F539 PolarHBondContact O-N 3.37Å
538E30.2Very low33.8Very low202 Ų202144.4 Ų144.494%0.94479%0.794SS**  trans-59.797.5175.7-70.9179.8139.300110.8
539F32.7Very low34.2Very low199 Ų199139.9 Ų139.987%0.87379%0.785SS**  trans-111109.4161.3-113.9-90.9000107.6G537 S541G537-F539 PolarHBondContact O-N 3.37Å; F539-S541 PolarHBondContact O-N 2.97Å
540K34.3Very low34.4Very low208 Ų208138.5 Ų138.590%0.90479%0.785SS**  trans-61.6104.7172.8-76.5179177.9174.40108.5
541S32.2Very low34.6Very low103 Ų103139.5 Ų139.572%0.7278%0.779SS**PPolyproline II helixtrans-63.6142.9168.341.20000110.3F539F539-S541 PolarHBondContact O-N 2.97Å
542P37Very low34.9Very low115 Ų115142.2 Ų142.275%0.74778%0.779SS**PPolyproline II helixtrans-67.1152.6169.914.8-8000109.9
543P35.9Very low35.4Very low120 Ų120142.4 Ų142.478%0.77977%0.765SS**PPolyproline II helixtrans-66.2138.2-165.227.3-33.4000111.8R545P543-R545 PolarHBondContact O-N 3.47Å
544E32.2Very low35.8Very low176 Ų176141.2 Ų141.282%0.82275%0.751SS**PPolyproline II helixtrans-46.5119.1171.2-78.2-178.5129.900111.4K546E544-K546 VanDerWaalsContact C-N 3.29Å; E544-K546 PolarHBondContact O-N 3.39Å
545R36Very low36.1Very low197 Ų197145.1 Ų145.174%0.74375%0.749SS**  trans-63.385.6171.8-78.3-178.6173.1-172.6-4.4110.3P543 R547P543-R545 PolarHBondContact O-N 3.47Å; R545-R547 PolarHBondContact O-N 3.04Å
546K32.7Very low36.6Very low176 Ų176146 Ų14677%0.76574%0.735SS**  trans-66.2113.6165.3-77.6-177.2179.4174.20109.4E544 S548E544-K546 VanDerWaalsContact C-N 3.29Å; E544-K546 PolarHBondContact O-N 3.39Å; K546-S548 PolarHBondContact O-N 2.83Å
547R34.4Very low37.1Very low258 Ų258146.7 Ų146.797%0.97472%0.718SS**  trans-49.393.7166.8-65.6174.7175.8-179.1-1.6110.4R545R545-R547 PolarHBondContact O-N 3.04Å
548S38.9Very low37.7Very low63 Ų63147.4 Ų147.444%0.44171%0.711SS.*  trans-130.9-9.1177.177.90000115.4K546K546-S548 PolarHBondContact O-N 2.83Å
549C43.7Very low38.4Very low99 Ų99141.1 Ų141.167%0.66969%0.689SS**Hα-helixtrans-82.1-29.4-172.9-65.70000114.9C551 R552 F553C549-C551 VanDerWaalsContact C-N 3.32Å; C549-C551 PolarHBondContact O-N 2.82Å; C549-R552 PolarHBondContact O-N 3.43Å; C549-F553 PolarHBondContact O-N 2.73Å
550L39.1Very low38.8Very low138 Ų138134.5 Ų134.572%0.72367%0.667SS**Hα-helixtrans-67.8-31.4-177.9-145.281.8000112.8I554L550-I554 HydrophobicContact CG-CD1 4.47Å; L550-I554 WeakPolarHBondContact O-CG1 3.4Å; L550-I554 PolarHBondContact O-N 2.78Å
551C37.1Very low39.2Very low103 Ų103132.4 Ų132.470%0.69666%0.658SS**Hα-helixtrans-75.3-22.1176.5-69.90000113.3C549 R555C549-C551 VanDerWaalsContact C-N 3.32Å; C549-C551 PolarHBondContact O-N 2.82Å; C551-R555 VanDerWaalsContact O-CB 3.28Å; C551-R555 WeakPolarHBondContact O-CB 3.19Å; C551-R555 PolarHBondContact O-N 3.38Å
552R40.5Very low39.5Very low192 Ų192134 Ų13473%0.72565%0.654SS**Hα-helixtrans-83.4-35.8175.5-75.1-175.8179.5171.10.3112C549 R555 W556C549-R552 PolarHBondContact O-N 3.43Å; R552-R555 PolarHBondContact O-N 3.19Å; R552-W556 WeakPolarHBondContact O-CB 3.37Å; R552-W556 PolarHBondContact O-N 3.25Å
553F40.3Very low39.6Very low117 Ų117136.4 Ų136.451%0.51365%0.652SS.*Hα-helixtrans-70.4-41.3178.5-162.4-104.4000112.6C549 R555 W556 L557C549-F553 PolarHBondContact O-N 2.73Å; F553-R555 VanDerWaalsContact C-N 3.32Å; F553-R555 PolarHBondContact O-N 3.08Å; F553-W556 PolarHBondContact O-N 3.2Å; F553-L557 HydrophobicContact CD1-CD1 3.75Å; F553-L557 HydrophobicContact CE1-CD1 3.57Å; F553-L557 HydrophobicContact CE1-CG 4.43Å; F553-L557 HydrophobicContact CZ-CD1 4.38Å; F553-L557 PolarHBondContact O-N 2.9Å
554I44Very low39.8Very low99 Ų99138.7 Ų138.751%0.50865%0.653SS.*Hα-helixtrans-67.1-34.3174-64.5173000111.2L550 C558L550-I554 HydrophobicContact CG-CD1 4.47Å; L550-I554 WeakPolarHBondContact O-CG1 3.4Å; L550-I554 PolarHBondContact O-N 2.78Å; I554-C558 WeakPolarHBondContact O-CB 3.38Å; I554-C558 PolarHBondContact O-N 3.13Å; I554-C558 VanDerWaalsContact O-N 3.12Å
555R41.1Very low40.1Very low194 Ų194137.6 Ų137.673%0.73265%0.652SS**Hα-helixtrans-72.2-30.9175.8-155.9171.9-169.9169.71.6112.3C551 R552 F553 C559C551-R555 VanDerWaalsContact O-CB 3.28Å; C551-R555 WeakPolarHBondContact O-CB 3.19Å; C551-R555 PolarHBondContact O-N 3.38Å; R552-R555 PolarHBondContact O-N 3.19Å; F553-R555 VanDerWaalsContact C-N 3.32Å; F553-R555 PolarHBondContact O-N 3.08Å; R555-C559 WeakPolarHBondContact O-CB 3.43Å; R555-C559 PolarHBondContact O-N 3.12Å; R555-C559 PolarHBondContact O-SG 3.39Å; R555-C559 VanDerWaalsContact O-SG 3.41Å
556W43.2Very low40.2Very low156 Ų156135.9 Ų135.959%0.59165%0.652SS**Hα-helixtrans-72.5-45.1174-173.178.4000112.4R552 F553 C558 C559 C560R552-W556 WeakPolarHBondContact O-CB 3.37Å; R552-W556 PolarHBondContact O-N 3.25Å; F553-W556 PolarHBondContact O-N 3.2Å; W556-C558 VanDerWaalsContact C-N 3.28Å; W556-C558 PolarHBondContact O-N 2.82Å; W556-C559 PolarHBondContact O-N 3.27Å; W556-C559 VanDerWaalsContact O-N 3.12Å; W556-C560 PolarHBondContact O-N 3.22Å
557L41.7Very low40.3Very low96 Ų96138.2 Ų138.250%0.50366%0.656SS.*Hα-helixtrans-62.2-33.1174.4-79.3164.7000112.9F553F553-L557 HydrophobicContact CD1-CD1 3.75Å; F553-L557 HydrophobicContact CE1-CD1 3.57Å; F553-L557 HydrophobicContact CE1-CG 4.43Å; F553-L557 HydrophobicContact CZ-CD1 4.38Å; F553-L557 PolarHBondContact O-N 2.9Å
558C43.6Very low40.4Very low84 Ų84131.5 Ų131.557%0.56865%0.649SS**Hα-helixtrans-76.6-30.1172.9-77.50000113.7I554 W556I554-C558 WeakPolarHBondContact O-CB 3.38Å; I554-C558 PolarHBondContact O-N 3.13Å; I554-C558 VanDerWaalsContact O-N 3.12Å; W556-C558 VanDerWaalsContact C-N 3.28Å; W556-C558 PolarHBondContact O-N 2.82Å
559C45.7Very low40.3Very low70 Ų70134.7 Ų134.747%0.47367%0.668SS.*Hα-helixtrans-82.2-29.8179.5-82.20000114.2R555 W556 Q562R555-C559 WeakPolarHBondContact O-CB 3.43Å; R555-C559 PolarHBondContact O-N 3.12Å; R555-C559 PolarHBondContact O-SG 3.39Å; R555-C559 VanDerWaalsContact O-SG 3.41Å; W556-C559 PolarHBondContact O-N 3.27Å; W556-C559 VanDerWaalsContact O-N 3.12Å; C559-Q562 PolarHBondContact O-N 3.02Å
560C41.9Very low40Very low61 Ų61135.2 Ų135.241%0.41267%0.673SS.*Hα-helixtrans-72.9-32.8179.8-74.60000113W556 Q562W556-C560 PolarHBondContact O-N 3.22Å; C560-Q562 VanDerWaalsContact C-N 3.29Å; C560-Q562 PolarHBondContact O-N 3.14Å
561K42.2Very low40.1Very low164 Ų164134 Ų13471%0.71367%0.673SS**Hα-helixtrans-75.1-12.5175.5-101.6-174.5175.61780115
562Q37.7Very low40.1Very low136 Ų136136.1 Ų136.164%0.63667%0.673SS**Hα-helixtrans-94.9-18.8-178.7-150.61663.200112.7C559 C560C559-Q562 PolarHBondContact O-N 3.02Å; C560-Q562 VanDerWaalsContact C-N 3.29Å; C560-Q562 PolarHBondContact O-N 3.14Å
563K40Very low40Very low165 Ų165135.1 Ų135.172%0.71767%0.674SS**Hα-helixtrans-88.4-21.8177.4-81.1-176.3173.6-179.60114.4
564E40.3Very low40Very low168 Ų168135.2 Ų135.279%0.78568%0.683SS**THydrogen-bonded Turntrans-81.7-14.1174.1-77.3-179.2158.200113.7
565L37.8Very low39.8Very low154 Ų154137.4 Ų137.481%0.80670%0.696SS**THydrogen-bonded Turntrans-94.32.4176.2-100.2102.2000114.8
566Q39.1Very low39.7Very low160 Ų160132.7 Ų132.775%0.74870%0.699SS**SBendtrans-121.915.1-175-77.2-165.7-19.200115.3
567R33.2Very low39.5Very low225 Ų225132.2 Ų132.285%0.84971%0.708SS**  trans-121.188.3176-74.6-176.7174.9-177.9-3111.2
568S37.9Very low39.3Very low117 Ų117133 Ų13382%0.81872%0.717SS**  trans-144.8118.8159.8-50.80000108.2
569P37.1Very low39Very low131 Ų131137.3 Ų137.385%0.85173%0.729SS**  trans-84.1142.3174.631.1-25.7000110.8
570S35.5Very low38.8Very low109 Ų109140.5 Ų140.576%0.76275%0.746SS**  trans-70.6162.9166.165.50000110
571P42.1Very low38.4Very low112 Ų112147.5 Ų147.573%0.72777%0.77SS**  -149.3164.863.435.5-12.2000118.4
572E37.3Very low38.2Very low149 Ų149149.4 Ų149.470%0.69678%0.778SS**  trans50.2112.6144.9-70.9-168.1121.700124.5
573K37.5Very low38.3Very low171 Ų171152 Ų15274%0.74379%0.79SS**  69.5132.2121.7-67.8-179.8179.9145.70122.2
574V41Very low38.1Very low118 Ų118153.5 Ų153.572%0.71580%0.799SS**  trans112.9100.1143.1-164.30000116.7
575D40.1Very low37.9Very low146 Ų146154.9 Ų154.978%0.78180%0.803SS**  trans71.6119.2138.8-54.9-14.8000124.8
576A39.4Very low37.9Very low94 Ų94156.4 Ų156.478%0.77780%0.803SS**  trans44.9129.1136.300000119.4
577N39.2Very low37.8Very low146 Ų146159.6 Ų159.678%0.78181%0.808SS**  cis-168.9133.949.2-146.5-12000110.6
578T36.6Very low38.3Very low114 Ų114153.9 Ų153.970%0.69980%0.802SS**  trans31.5115.9146-38.90000121.3
579Q37.6Very low38.7Very low173 Ų173152.5 Ų152.581%0.80879%0.791SS**  179.3132.8110.5-95.2-177.87.600114.6
580T41Very low38.9Very low138 Ų138152.4 Ų152.485%0.84778%0.783SS**  trans79.384.4160.163.10000121.2
581K34.9Very low39.4Very low208 Ų208151.3 Ų151.390%0.90477%0.774SS**  trans-73.4116.4153.7-74.6172.1174.8170.20110.4
582K37.7Very low39.6Very low203 Ų203155.3 Ų155.388%0.88378%0.775SS**  trans173.288.5148.7-101.1171.5-177178.70109.7
583Q38.8Very low40.3Very low190 Ų190152.2 Ų152.289%0.88877%0.766SS**SBendtrans-172.9-14.5152.5-110.3175.820.300115.6K585Q583-K585 PolarHBondContact O-N 2.94Å
584Q36.1Very low41.2Very low197 Ų197147.9 Ų147.992%0.92175%0.754SS**THydrogen-bonded Turntrans-86.21.4-165.4-138.8165.63.700116.5
585K35.5Very low41.8Very low197 Ų197146.5 Ų146.586%0.85775%0.748SS**THydrogen-bonded Turntrans-1061.8-172.5-130.3176.4-175.7179.70116.2Q583Q583-K585 PolarHBondContact O-N 2.94Å
586K38.4Very low42.8Very low187 Ų187145.3 Ų145.381%0.81374%0.741SS**SBendtrans-98.3-11.8-179.4-76.7-171.7176.1-176.60115.5
587R37.6Very low43.7Very low226 Ų226145.4 Ų145.485%0.85373%0.728SS**Hα-helixtrans-83.5-10.6-176.7-74.8-175.7168.9-179-3.2115.1
588C43.9Very low44.5Very low106 Ų106142.1 Ų142.172%0.71672%0.716SS**Hα-helixtrans-87.8-17.9-177.6-141.40000114.1
589C44.7Very low45.5Very low88 Ų88139.9 Ų139.960%0.59570%0.704SS**Hα-helixtrans-87.2-29.7-179-66.90000113.5R592 V593C589-R592 PolarHBondContact O-N 3.11Å; C589-V593 WeakPolarHBondContact O-CG2 3.48Å; C589-V593 PolarHBondContact O-N 2.65Å
590L42.9Very low46Very low128 Ų128140 Ų14067%0.6770%0.699SS**Hα-helixtrans-67.6-39.5-177.7-131.885.6000112.2R592 V593 V594L590-R592 VanDerWaalsContact C-N 3.31Å; L590-R592 PolarHBondContact O-N 2.71Å; L590-V593 PolarHBondContact O-N 2.89Å; L590-V594 WeakPolarHBondContact O-CG2 3.32Å; L590-V594 PolarHBondContact O-N 2.78Å
591C44.4Very low46.9Very low86 Ų86138.1 Ų138.158%0.58168%0.682SS**Hα-helixtrans-64.7-32.7177.8-68.70000113.1C595C591-C595 WeakPolarHBondContact O-CB 3.31Å; C591-C595 PolarHBondContact O-N 2.88Å; C591-C595 VanDerWaalsContact O-N 3.15Å; C591-C595 PolarHBondContact O-SG 3.16Å; C591-C595 VanDerWaalsContact O-SG 3.39Å
592R47.6Very low47.5Very low197 Ų197137.4 Ų137.474%0.74367%0.674SS**Hα-helixtrans-72.1-38.2175.5-89.3-177.9171.1173.8-2.3112.3C589 L590 L596C589-R592 PolarHBondContact O-N 3.11Å; L590-R592 VanDerWaalsContact C-N 3.31Å; L590-R592 PolarHBondContact O-N 2.71Å; R592-L596 WeakPolarHBondContact O-CB 3.47Å; R592-L596 WeakPolarHBondContact O-CD1 3.4Å; R592-L596 VanDerWaalsContact O-CG 3.27Å; R592-L596 WeakPolarHBondContact O-CG 3.26Å; R592-L596 PolarHBondContact O-N 2.87Å
593V51.9Low47.9Very low83 Ų83131.5 Ų131.550%0.50366%0.658SS.*Hα-helixtrans-69.2-40.1178.7175.90000111.1C589 L590 L596 L597C589-V593 WeakPolarHBondContact O-CG2 3.48Å; C589-V593 PolarHBondContact O-N 2.65Å; L590-V593 PolarHBondContact O-N 2.89Å; V593-L596 PolarHBondContact O-N 3.37Å; V593-L597 HydrophobicContact CG1-CD1 3.9Å; V593-L597 WeakPolarHBondContact O-CB 3.22Å; V593-L597 WeakPolarHBondContact O-CG 3.48Å; V593-L597 PolarHBondContact O-N 3.3Å
594V55.1Low48.1Very low81 Ų81125.7 Ų125.749%0.49164%0.637SS.*Hα-helixtrans-67.8-41176.7176.40000111.6L590 L596 L597 C598L590-V594 WeakPolarHBondContact O-CG2 3.32Å; L590-V594 PolarHBondContact O-N 2.78Å; V594-L596 PolarHBondContact O-N 2.92Å; V594-L597 PolarHBondContact O-N 2.67Å; V594-C598 PolarHBondContact O-N 3.04Å; V594-C598 PolarHBondContact O-SG 3.14Å; V594-C598 VanDerWaalsContact O-SG 3.38Å
595C54.6Low48.5Very low89 Ų89121.8 Ų121.860%0.60162%0.622SS**Hα-helixtrans-66.3-34.4174.8-75.60000113.4C591 S599C591-C595 WeakPolarHBondContact O-CB 3.31Å; C591-C595 PolarHBondContact O-N 2.88Å; C591-C595 VanDerWaalsContact O-N 3.15Å; C591-C595 PolarHBondContact O-SG 3.16Å; C591-C595 VanDerWaalsContact O-SG 3.39Å; C595-S599 PolarHBondContact O-N 3.21Å; C595-S599 PolarHBondContact O-OG 2.97Å
596L60.3Low49.1Very low120 Ų120116.1 Ų116.163%0.62861%0.607SS**Hα-helixtrans-71.5-37.2175.4-75.1166.7000112R592 V593 V594 S599 Y600R592-L596 WeakPolarHBondContact O-CB 3.47Å; R592-L596 WeakPolarHBondContact O-CD1 3.4Å; R592-L596 VanDerWaalsContact O-CG 3.27Å; R592-L596 WeakPolarHBondContact O-CG 3.26Å; R592-L596 PolarHBondContact O-N 2.87Å; V593-L596 PolarHBondContact O-N 3.37Å; V594-L596 PolarHBondContact O-N 2.92Å; L596-S599 WeakPolarHBondContact CA-OG 3.45Å; L596-S599 PolarHBondContact O-OG 3.36Å; L596-S599 VanDerWaalsContact O-OG 3.08Å; L596-Y600 WeakPolarHBondContact O-CB 3.22Å; L596-Y600 PolarHBondContact O-N 3.44Å
597L58.3Low49.4Very low97 Ų97112 Ų11251%0.50860%0.6SS.*Hα-helixtrans-68.5-42.4175.5-76.6163.8000112.2V593 V594 S599 Y600 I601V593-L597 HydrophobicContact CG1-CD1 3.9Å; V593-L597 WeakPolarHBondContact O-CB 3.22Å; V593-L597 WeakPolarHBondContact O-CG 3.48Å; V593-L597 PolarHBondContact O-N 3.3Å; V594-L597 PolarHBondContact O-N 2.67Å; L597-S599 VanDerWaalsContact C-N 3.34Å; L597-S599 PolarHBondContact O-N 3.48Å; L597-Y600 PolarHBondContact O-N 2.82Å; L597-I601 WeakPolarHBondContact O-CB 3.05Å; L597-I601 WeakPolarHBondContact O-CD1 3.39Å; L597-I601 WeakPolarHBondContact O-CG1 3.43Å; L597-I601 PolarHBondContact O-N 2.92Å
598C56.7Low49.4Very low77 Ų77112.1 Ų112.152%0.5260%0.601SS.*Hα-helixtrans-64.6-36.5176.9-710000112.7V594 W602V594-C598 PolarHBondContact O-N 3.04Å; V594-C598 PolarHBondContact O-SG 3.14Å; V594-C598 VanDerWaalsContact O-SG 3.38Å; C598-W602 WeakPolarHBondContact O-CB 3.31Å; C598-W602 PolarHBondContact O-N 3.37Å
599S57.4Low49.2Very low66 Ų66118.3 Ų118.346%0.46261%0.609SS.*Hα-helixtrans-74.4-33.6176.944.90000112.9C595 L596 L597 C603C595-S599 PolarHBondContact O-N 3.21Å; C595-S599 PolarHBondContact O-OG 2.97Å; L596-S599 WeakPolarHBondContact CA-OG 3.45Å; L596-S599 PolarHBondContact O-OG 3.36Å; L596-S599 VanDerWaalsContact O-OG 3.08Å; L597-S599 VanDerWaalsContact C-N 3.34Å; L597-S599 PolarHBondContact O-N 3.48Å; S599-C603 WeakPolarHBondContact O-CB 3.37Å; S599-C603 PolarHBondContact O-N 2.94Å; S599-C603 VanDerWaalsContact O-N 3.12Å
600Y47.7Very low49.1Very low175 Ų175123.4 Ų123.469%0.68662%0.621SS**Hα-helixtrans-71.1-43175.7-151-94.3000112.3L596 L597 W602 C603 C604L596-Y600 WeakPolarHBondContact O-CB 3.22Å; L596-Y600 PolarHBondContact O-N 3.44Å; L597-Y600 PolarHBondContact O-N 2.82Å; Y600-W602 PolarHBondContact O-N 3.08Å; Y600-C603 PolarHBondContact O-N 3.34Å; Y600-C604 PolarHBondContact O-N 3.16Å; Y600-C604 PolarHBondContact O-SG 2.97Å; Y600-C604 VanDerWaalsContact O-SG 3.37Å
601I60.5Low48.7Very low99 Ų99126.6 Ų126.651%0.50863%0.629SS.*Hα-helixtrans-65.8-39.8178.4-66.9166.2000111L597 C604 L605L597-I601 WeakPolarHBondContact O-CB 3.05Å; L597-I601 WeakPolarHBondContact O-CD1 3.39Å; L597-I601 WeakPolarHBondContact O-CG1 3.43Å; L597-I601 PolarHBondContact O-N 2.92Å; I601-C604 PolarHBondContact O-N 3.15Å; I601-L605 HydrophobicContact CG2-CD1 3.93Å; I601-L605 WeakPolarHBondContact O-CG 3.35Å; I601-L605 PolarHBondContact O-N 3.27Å; I601-L605 VanDerWaalsContact O-N 3.07Å
602W46.7Very low48.3Very low193 Ų193132 Ų13273%0.73164%0.643SS**Hα-helixtrans-69.2-35.9177.1-151.8-58.9000112.4C598 Y600 L605 C606C598-W602 WeakPolarHBondContact O-CB 3.31Å; C598-W602 PolarHBondContact O-N 3.37Å; Y600-W602 PolarHBondContact O-N 3.08Å; W602-L605 PolarHBondContact O-N 3.5Å; W602-C606 WeakPolarHBondContact O-CB 3.35Å; W602-C606 PolarHBondContact O-N 3.43Å; W602-C606 VanDerWaalsContact O-N 3.09Å
603C46.2Very low47.6Very low79 Ų79129.3 Ų129.353%0.53465%0.649SS.*Hα-helixtrans-67-40.3175.1-157.60000111.8S599 Y600 C607S599-C603 WeakPolarHBondContact O-CB 3.37Å; S599-C603 PolarHBondContact O-N 2.94Å; S599-C603 VanDerWaalsContact O-N 3.12Å; Y600-C603 PolarHBondContact O-N 3.34Å; C603-C607 WeakPolarHBondContact O-CB 3.48Å; C603-C607 PolarHBondContact O-N 3.07Å; C603-C607 VanDerWaalsContact O-N 3.14Å
604C43.3Very low46.8Very low68 Ų68134.4 Ų134.446%0.45967%0.667SS.*Hα-helixtrans-67.7-33.9176.1-71.10000113.6Y600 I601 R608Y600-C604 PolarHBondContact O-N 3.16Å; Y600-C604 PolarHBondContact O-SG 2.97Å; Y600-C604 VanDerWaalsContact O-SG 3.37Å; I601-C604 PolarHBondContact O-N 3.15Å; C604-R608 PolarHBondContact O-N 3.37Å
605L44Very low46Very low115 Ų115136 Ų13660%0.60268%0.679SS**Hα-helixtrans-76.9-33177.9-73.1167.3000112.9I601 W602I601-L605 HydrophobicContact CG2-CD1 3.93Å; I601-L605 WeakPolarHBondContact O-CG 3.35Å; I601-L605 PolarHBondContact O-N 3.27Å; I601-L605 VanDerWaalsContact O-N 3.07Å; W602-L605 PolarHBondContact O-N 3.5Å
606C49.8Very low45.3Very low79 Ų79142 Ų14253%0.53470%0.695SS.*Hα-helixtrans-74.1-30.8174.5-77.90000113.4W602W602-C606 WeakPolarHBondContact O-CB 3.35Å; W602-C606 PolarHBondContact O-N 3.43Å; W602-C606 VanDerWaalsContact O-N 3.09Å
607C43.1Very low44.1Very low101 Ų101144.4 Ų144.468%0.68270%0.703SS**Hα-helixtrans-79-20.5178.1-76.40000114.1C603C603-C607 WeakPolarHBondContact O-CB 3.48Å; C603-C607 PolarHBondContact O-N 3.07Å; C603-C607 VanDerWaalsContact O-N 3.14Å
608R39.4Very low43Very low227 Ų227147.4 Ų147.486%0.85772%0.715SS**THydrogen-bonded Turntrans-83.1-11.1179.9-100.6-176.6173176.6-1.2115.5C604C604-R608 PolarHBondContact O-N 3.37Å
609R39.4Very low42Very low237 Ų237151.7 Ų151.789%0.89472%0.724SS**THydrogen-bonded Turntrans-92.78.1-179-86.2-175.7174.9171.3-0.1115.4
610K41Very low41Very low194 Ų194157.5 Ų157.584%0.84374%0.741SS**SBendtrans-111.914.3-174.8-93.2-168.3175.8-173.80116.7
611K36.2Very low40.4Very low195 Ų195154.3 Ų154.385%0.84875%0.745SS**  trans-132.8133.6176.2-79.6-175.1174.7-179.40111.8
612K34.7Very low39.6Very low201 Ų201154.2 Ų154.287%0.87475%0.75SS**  trans93.2110.7-170.4-60.3178175.7-176.20110.5
613T32.9Very low39.2Very low140 Ų140152.1 Ų152.186%0.85975%0.754SS**  cis-165.8136.246.7-260000110
614E36.5Very low38.8Very low189 Ų189153.6 Ų153.688%0.88377%0.765SS**  trans-125158164.7-101.7-167.2171.500109.8
615P37.2Very low38.4Very low115 Ų115160.4 Ų160.475%0.74779%0.786SS**  trans-107.5162.7-144.939.4-32.7000114.1
616K40.1Very low37.9Very low215 Ų215160.4 Ų160.494%0.93579%0.793SS**  trans-140.7140.6159.4-80.7-165.71771790113.3
617Q35.5Very low37Very low170 Ų170162.1 Ų162.179%0.79481%0.806SS**  trans-84.3165.9-167.8-67.2169.4-34.600115.3
618Q34.8Very low36.3Very low161 Ų161164.1 Ų164.175%0.75281%0.81SS**  trans67.8135.4143.7-83.9174.36.600117.5
619K35.9Very low35.8Very low167 Ų167163.3 Ų163.373%0.72681%0.813SS**  cis-173.515348.7-131.4177.5-178.2165.70111.7
620K36.6Very low35.1Very low187 Ų187159.9 Ų159.981%0.81381%0.807SS**  trans84.4121.1147.9-71.9-177.7175.2-171.60122.3
621S33.9Very low34.4Very low109 Ų109155 Ų15576%0.76280%0.797SS**  trans-90.3-159.3166.861.70000111.6
622P44Very low33.8Very low96 Ų96151.6 Ų151.662%0.62379%0.793SS**  cis-131.3172.1-25.427.7-6.4000113.2
623D38.2Very low33.3Very low150 Ų150151.5 Ų151.580%0.80279%0.788SS**  161.8147.9119.1-91-29.2000115.9
624S38.6Very low32.9Very low110 Ų110153.1 Ų153.177%0.76979%0.786SS**  trans90.984.6157.271.20000121
625K35.3Very low32.3Very low210 Ų210150.7 Ų150.791%0.91378%0.784SS**  51.5153.4114.4-82.2-167.2176.6176.50122.9
626P32.8Very low31.7Very low115 Ų115150.7 Ų150.775%0.74778%0.782SS**  trans-117.4170.4-138.341.5-28.9000114.3
627S32.1Very low31.1Very low115 Ų115146.3 Ų146.380%0.80478%0.775SS**  trans-135.3132.6157.375.80000112.2
628L27.1Very low30.6Very low144 Ų144140.9 Ų140.975%0.75477%0.765SS**  trans-58.6141.8177.8-70.586.6000112.7
629F28.6Very low30.3Very low210 Ų210142.6 Ų142.692%0.92177%0.766SS**  -152.1110127.4-128.9-91.3000108.9
630E25Very low30.2Very low165 Ų165138 Ų13877%0.77175%0.747SS**  trans-68.9126165.1-75168.8136.700108.8
631S26.6Very low30Very low90 Ų90131.6 Ų131.663%0.62972%0.724SS**  trans-151.7101.2141.874.90000109Y633S631-Y633 PolarHBondContact O-N 3.01Å
632T23.2Very low29.7Very low125 Ų125128.9 Ų128.977%0.76771%0.708SS**  trans-64.7112.9170.4-21.90000108.6
633Y25.3Very low29Very low199 Ų199128.1 Ų128.178%0.7870%0.698SS**  trans-123105.2157.3-74-79000107.2S631 V635S631-Y633 PolarHBondContact O-N 3.01Å; Y633-V635 PolarHBondContact O-N 3.34Å; Y633-V635 VanDerWaalsContact O-N 3.12Å
634E24.1Very low28.8Very low174 Ų174124.6 Ų124.681%0.81368%0.682SS**  trans-63.2107.3167.7-71.4-176149.700108.3T636E634-T636 PolarHBondContact O-N 3.03Å; E634-T636 VanDerWaalsContact O-N 3.1Å
635V24.2Very low28.6Very low137 Ų137124.3 Ų124.383%0.8367%0.667SS**  trans-75.893.6167.1179.80000106.8Y633 P637Y633-V635 PolarHBondContact O-N 3.34Å; Y633-V635 VanDerWaalsContact O-N 3.12Å; V635-P637 WeakPolarHBondContact O-CD 3.49Å
636T24.7Very low28.6Very low116 Ų116119.3 Ų119.371%0.71265%0.645SS**  trans-78.8117.9171.9-29.80000109.2E634 G638E634-T636 PolarHBondContact O-N 3.03Å; E634-T636 VanDerWaalsContact O-N 3.1Å; T636-G638 PolarHBondContact O-N 3.12Å
637P26Very low28.7Very low122 Ų122115.5 Ų115.579%0.79262%0.624SS**  trans-91.1104.9175.332-24000109.1V635V635-P637 WeakPolarHBondContact O-CD 3.49Å
638G25.8Very low29.1Very low57 Ų57113 Ų11359%0.58860%0.597SS**  trans160.383.1167.400000115.6T636T636-G638 PolarHBondContact O-N 3.12Å
639Y27.8Very low29.5Very low196 Ų196109.4 Ų109.477%0.76958%0.576SS**  trans-161.986162-85.9-78.1000108.4L643Y639-L643 WeakPolarHBondContact O-CD1 3.42Å
640E34Very low29.8Very low70 Ų70105.7 Ų105.733%0.32756%0.562SS.*  trans-135-22.6174.8-84.6-171.5176.100116.2N207 H441N207-E640 VanDerWaalsContact CA-OE1 3.29Å; N207-E640 WeakPolarHBondContact CA-OE1 3.33Å; N207-E640 VanDerWaalsContact CG-OE1 3.24Å; N207-E640 PolarHBondContact OD1-OE1 2.95Å; H441-E640 IonicContact CE1-OE2 2.65Å; H441-E640 PolarHBondContact CE1-OE2 2.68Å; H441-E640 IonicContact ND1-OE2 2.75Å; H441-E640 PolarHBondContact ND1-OE2 3.38Å
641T32.7Very low30Very low54 Ų54105.3 Ų105.333%0.33156%0.56SS.*Hα-helixtrans-82.8-21.4176.858.30000114.4D463 L643D463-T641 WeakPolarHBondContact OD1-CB 3.48Å; D463-T641 PolarHBondContact OD1-OG1 3.24Å; T641-L643 PolarHBondContact O-N 3.09Å
642A28.6Very low30.2Very low51 Ų51104.9 Ų104.942%0.42156%0.562SS.*Hα-helixtrans-79.3-14.1175.500000114.4K646A642-K646 WeakPolarHBondContact O-CB 3.33Å; A642-K646 PolarHBondContact O-N 2.94Å
643L28.5Very low30.5Very low81 Ų81107.7 Ų107.742%0.42457%0.572SS.*Hα-helixtrans-94.5-23.7-167.1-87.1161.1000114.9Y639 T641 K645 K646 A647Y639-L643 WeakPolarHBondContact O-CD1 3.42Å; T641-L643 PolarHBondContact O-N 3.09Å; L643-K645 VanDerWaalsContact C-N 3.28Å; L643-K646 HydrophobicContact CD2-CB 4.41Å; L643-A647 VanDerWaalsContact O-CB 3.23Å; L643-A647 WeakPolarHBondContact O-CB 3.33Å; L643-A647 PolarHBondContact O-N 3.02Å
644T34.6Very low30.7Very low75 Ų75101.2 Ų101.246%0.4657%0.566SS.*Hα-helixtrans-70-31.5165.942.50000111.1
645K34.5Very low30.9Very low104 Ų10497.7 Ų97.745%0.45257%0.567SS.*Hα-helixtrans-68.4-52.8169.7-130.4-170.9168.2175.30111.6L643 A647 W648 E649L643-K645 VanDerWaalsContact C-N 3.28Å; K645-A647 VanDerWaalsContact C-N 3.33Å; K645-A647 PolarHBondContact O-N 3.48Å; K645-W648 CarbonylContact O-C 3.56Å; K645-W648 PolarHBondContact O-N 3.35Å; K645-E649 WeakPolarHBondContact CD-OE2 3.48Å; K645-E649 WeakPolarHBondContact CE-OE1 3.19Å; K645-E649 WeakPolarHBondContact CE-OE2 2.96Å; K645-E649 HydrophobicContact CG-CG 4.47Å; K645-E649 WeakPolarHBondContact CG-OE2 3.05Å; K645-E649 VanDerWaalsContact O-CB 3.24Å; K645-E649 WeakPolarHBondContact O-CB 3.27Å; K645-E649 VanDerWaalsContact O-CG 3.29Å; K645-E649 WeakPolarHBondContact O-CG 3.41Å; K645-E649 PolarHBondContact O-N 3.41Å
646K33.4Very low31Very low105 Ų10595.8 Ų95.846%0.45757%0.565SS.*Hα-helixtrans-63.5-28.8179.2-85.5-165.7172.5-1630114.9A642 L643 W648 E649 E650 E651A642-K646 WeakPolarHBondContact O-CB 3.33Å; A642-K646 PolarHBondContact O-N 2.94Å; L643-K646 HydrophobicContact CD2-CB 4.41Å; K646-W648 PolarHBondContact O-N 2.91Å; K646-E649 PolarHBondContact O-N 2.98Å; K646-E650 PolarHBondContact O-N 3.16Å; K646-E651 IonicContact NZ-OE1 2.74Å; K646-E651 PolarHBondContact NZ-OE1 2.96Å
647A35.5Very low31Very low36 Ų3694.9 Ų94.930%0.29856%0.561SS.*THydrogen-bonded Turntrans-72-13.7174.400000113.3L201 L643 K645L201-A647 HydrophobicContact CD2-CB 3.94Å; L643-A647 VanDerWaalsContact O-CB 3.23Å; L643-A647 WeakPolarHBondContact O-CB 3.33Å; L643-A647 PolarHBondContact O-N 3.02Å; K645-A647 VanDerWaalsContact C-N 3.33Å; K645-A647 PolarHBondContact O-N 3.48Å
648W40.5Very low31.1Very low61 Ų6193.4 Ų93.423%0.23155%0.554CS.*THydrogen-bonded Turntrans-113.4-4.4175.4-69.867.4000112.6C191 L220 I231 H232 K645 K646C191-W648 HydrophobicContact CB-CZ3 4.38Å; L220-W648 HydrophobicContact CD1-CH2 4.41Å; L220-W648 HydrophobicContact CD1-CZ2 4.31Å; L220-W648 HydrophobicContact CD2-CH2 3.65Å; L220-W648 HydrophobicContact CD2-CZ2 4.32Å; L220-W648 HydrophobicContact CD2-CZ3 4.45Å; L220-W648 HydrophobicContact CG-CH2 4.33Å; I231-W648 HydrophobicContact CD1-CH2 3.94Å; I231-W648 HydrophobicContact CD1-CZ2 3.81Å; I231-W648 HydrophobicContact CG1-CZ2 4.32Å; I231-W648 HydrophobicContact CG2-CE3 4.41Å; I231-W648 HydrophobicContact CG2-CH2 3.9Å; I231-W648 HydrophobicContact CG2-CZ2 4.14Å; I231-W648 HydrophobicContact CG2-CZ3 4.05Å; H232-W648 AromaticContact NE2-CD2 3.95Å; H232-W648 AromaticContact NE2-CE3 3.63Å; H232-W648 AromaticContact NE2-CG 3.99Å; K645-W648 CarbonylContact O-C 3.56Å; K645-W648 PolarHBondContact O-N 3.35Å; K646-W648 PolarHBondContact O-N 2.91Å
649E35.8Very low31.3Very low70 Ų7094.9 Ų94.933%0.32755%0.551SS.*SBendtrans-129.734.9-173.8-65.1-178.216400112.6K645 K646 V659K645-E649 WeakPolarHBondContact CD-OE2 3.48Å; K645-E649 WeakPolarHBondContact CE-OE1 3.19Å; K645-E649 WeakPolarHBondContact CE-OE2 2.96Å; K645-E649 HydrophobicContact CG-CG 4.47Å; K645-E649 WeakPolarHBondContact CG-OE2 3.05Å; K645-E649 VanDerWaalsContact O-CB 3.24Å; K645-E649 WeakPolarHBondContact O-CB 3.27Å; K645-E649 VanDerWaalsContact O-CG 3.29Å; K645-E649 WeakPolarHBondContact O-CG 3.41Å; K645-E649 PolarHBondContact O-N 3.41Å; K646-E649 PolarHBondContact O-N 2.98Å; E649-V659 HydrophobicContact CG-CG2 4.2Å
650E34.1Very low31.4Very low131 Ų13192 Ų9261%0.61255%0.545SS*.  trans-22.1130-175.9-90.9-171.5152.300116.5K646 A652K646-E650 PolarHBondContact O-N 3.16Å; E650-A652 PolarHBondContact O-N 2.6Å; E650-A652 VanDerWaalsContact O-N 3.14Å
651E29.6Very low31.5Very low157 Ų15794.3 Ų94.373%0.73456%0.558SS**  trans-52.5115.4157.7-77.6175.8-177.700109.9K646K646-E651 IonicContact NZ-OE1 2.74Å; K646-E651 PolarHBondContact NZ-OE1 2.96Å
652A32Very low31.7Very low82 Ų8294.9 Ų94.968%0.67856%0.564SS**  trans-141.399.8152.200000108.2E650 G654E650-A652 PolarHBondContact O-N 2.6Å; E650-A652 VanDerWaalsContact O-N 3.14Å; A652-G654 VanDerWaalsContact C-N 3.27Å; A652-G654 PolarHBondContact O-N 3.44Å
653D29.8Very low32.4Very low184 Ų18499.2 Ų99.298%0.98457%0.574SS**  trans-57.696.5155.2-85.7-33.8000107.7
654G29.1Very low33.3Very low62 Ų6299.2 Ų99.264%0.63957%0.573SS**SBendtrans151.684.5179.200000113.1A652A652-G654 VanDerWaalsContact C-N 3.27Å; A652-G654 PolarHBondContact O-N 3.44Å
655A28.2Very low33.4Very low101 Ų101101.8 Ų101.884%0.83558%0.583SS**SBendtrans62.8100.3168.400000116.5
656A25.8Very low33.7Very low97 Ų97101.9 Ų101.980%0.80259%0.589SS**  trans-40.4150.7175.900000115.3
657P25.6Very low33.5Very low97 Ų97103.5 Ų103.563%0.6360%0.601SS**  -135.5134.181.734.1-19.3000114.3
658S27.5Very low33.4Very low91 Ų91107.2 Ų107.264%0.63663%0.625SS**  trans-46.5144.8169.643.50000115.1E660S658-E660 PolarHBondContact O-N 3.14Å
659V29.2Very low32.9Very low88 Ų88110.1 Ų110.153%0.53365%0.649SS.*  trans-70.4103.9163176.90000108.3E649E649-V659 HydrophobicContact CG-CG2 4.2Å
660E30.5Very low32.5Very low135 Ų135112.1 Ų112.163%0.63167%0.671SS**  trans-87.1113.4170.2-76.6-178.3162.800109.9S658S658-E660 PolarHBondContact O-N 3.14Å
661I36.2Very low32.4Very low118 Ų118111.6 Ų111.661%0.60568%0.677SS**  trans-82.8112.3159.7-60.8170.9000106.2
662S36Very low32.3Very low66 Ų66108.5 Ų108.546%0.46268%0.679SS.*  trans-99.4108.4166.558.90000108.5
663K44.1Very low32.4Very low142 Ų142111 Ų11162%0.61769%0.685SS**  trans-69.3126.9162-69.1-175.7177.4-176.80107.8D665K663-D665 PolarHBondContact O-N 3.2Å
664M46.5Very low32.4Very low82 Ų82110.3 Ų110.340%0.40468%0.676SS.*  trans-83.997.7165.8-79.6-172.1171.700108.2N151 N666N151-M664 HydrophobicContact CB-SD 4.05Å; N151-M664 VanDerWaalsContact CG-CE 3.47Å; N151-M664 WeakPolarHBondContact ND2-CE 3.38Å; N151-M664 PolarHBondContact ND2-SD 3.03Å; N151-M664 WeakPolarHBondContact OD1-CE 3.45Å; M664-N666 PolarHBondContact O-N 3Å
665D37.2Very low32.5Very low128 Ų128116.1 Ų116.168%0.68469%0.689SS**  trans-67.6118.2169-71.1-30.6000108.9K663 I667K663-D665 PolarHBondContact O-N 3.2Å; D665-I667 PolarHBondContact O-N 3.47Å
666N40.4Very low32.7Very low107 Ų107115.2 Ų115.257%0.57269%0.689SS**  trans-66.493168.5-81.2-25.2000109.1M664 S668M664-N666 PolarHBondContact O-N 3Å; N666-S668 PolarHBondContact O-N 2.85Å; N666-S668 VanDerWaalsContact O-N 3.07Å
667I30.9Very low33Very low139 Ų139117 Ų11771%0.71369%0.69SS**  trans-76.393.2166.6-60.1177000108D665 T669D665-I667 PolarHBondContact O-N 3.47Å; I667-T669 HydrophobicContact CG2-CG2 4.1Å; I667-T669 PolarHBondContact O-N 3.38Å
668S32.7Very low33.5Very low114 Ų114117.5 Ų117.580%0.79770%0.696SS**  trans-69.3100.9157.2-69.20000108.6N666 S670N666-S668 PolarHBondContact O-N 2.85Å; N666-S668 VanDerWaalsContact O-N 3.07Å; S668-S670 PolarHBondContact O-N 2.81Å
669T30Very low33.9Very low121 Ų121118.4 Ų118.474%0.74270%0.698SS**  trans-7996.9166.123.10000108.8I667I667-T669 HydrophobicContact CG2-CG2 4.1Å; I667-T669 PolarHBondContact O-N 3.38Å
670S28Very low34.4Very low112 Ų112121.5 Ų121.578%0.78371%0.71SS**  trans-87.5117153.9172.30000107.3S668S668-S670 PolarHBondContact O-N 2.81Å
671T31.3Very low34.7Very low120 Ų120119.3 Ų119.374%0.73671%0.709SS**  trans-136.398.6162.9-360000107.4
672A27.8Very low34.9Very low93 Ų93123.2 Ų123.277%0.76972%0.722SS**  trans-77.4122.5163.700000108.4
673V33.2Very low34.9Very low133 Ų133125.4 Ų125.481%0.80674%0.737SS**  trans-139.6117.4155.5178.90000107.1
674E30.6Very low35Very low170 Ų170123.9 Ų123.979%0.79474%0.742SS**  trans-77.3163.5175.5-67.8-179.413100112.8
675M31.6Very low34.7Very low185 Ų185129.8 Ų129.891%0.91177%0.768SS**  trans86.3119.7152.8-55.7-150.9-69.500118.6
676G32.4Very low34.7Very low81 Ų81127 Ų12784%0.83577%0.77SS**  trans159.387.6160.700000114.2
677T32.4Very low34.6Very low136 Ų136126.8 Ų126.883%0.83478%0.783SS**  trans-62.1162.8-177.742.60000117.6
678S34.2Very low35.1Very low107 Ų107125.3 Ų125.375%0.74879%0.785SS**  trans92140.8145.6107.80000116.4
679T36.5Very low35.5Very low110 Ų110126.6 Ų126.668%0.67578%0.781SS**  cis-174.9153.5-14.30.90000107.1
680I40Very low35.9Very low153 Ų153132 Ų13279%0.78579%0.788SS**  trans71118.4144.3-61.1160000114.7
681S37.1Very low36.4Very low89 Ų89130.9 Ų130.962%0.62278%0.781SS**  169.6146.46492.70000111.9
682K39.2Very low37Very low200 Ų200132.7 Ų132.787%0.8778%0.784SS**  trans88.9108.3143.2-69176.8178.9-178.50120.9
683S36.5Very low37.4Very low112 Ų112136.2 Ų136.278%0.78379%0.789SS**  trans-85.5-158.2169.955.40000112.7
684P45.9Very low38.2Very low110 Ų110138.9 Ų138.971%0.71481%0.814SS**  -132.2-178.2-82.941.1-21.6000111.9
685E39.8Very low38.6Very low205 Ų205137.3 Ų137.396%0.95882%0.815SS**  trans170.5142.4157-101.3166.7-16700106.9
686G38.7Very low38.9Very low70 Ų70134.8 Ų134.872%0.72281%0.81SS**  cis176.6174.13.800000110
687A38.8Very low39.3Very low102 Ų102137.8 Ų137.884%0.84381%0.808SS**  trans67.7110.6164.600000118.7
688S39.4Very low39.7Very low109 Ų109137.9 Ų137.976%0.76281%0.807SS**  79.6119.257.4-166.30000114.2
689I41.8Very low40Very low140 Ų140139.8 Ų139.872%0.71881%0.81SS**  157.6118.3121.2-77.3168.5000110.9
690R37.9Very low40.3Very low234 Ų234141.8 Ų141.888%0.88382%0.819SS**  trans33.4149.1132.6-44.3176.7170.2174.1-4.5118.7
691S38.5Very low40.3Very low90 Ų90141 Ų14163%0.62982%0.822SS**  cis176.7149.932.793.80000111
692I44.5Very low40.5Very low158 Ų158145 Ų14581%0.8184%0.837SS**  trans84.7122.3137.7-60.8167.3000119.9
693L35.6Very low40.6Very low167 Ų167140.4 Ų140.487%0.87483%0.834SS**  trans-62.9145.3167.9-68.8140.1000113.7
694S50.2Low41Very low188 Ų188143 Ų143100%1.31584%0.839SS**  trans-138.70134.767.10000108.5

Retrieved 694 of 694 residues in 521.8 ms (Link to these results)

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