A0A077Z4Z6_TRITR Loading...

Peptidase S9 and DPPIV N domain containing protei n

AlphaFold DB , UniProt , Accession A0A077Z4Z6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 633 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
1M45.2Very low45.4Very low109 Ų10956.5 Ų56.554%0.53728%0.276SS..  0-48.90-167.9175.366.800113.6L3 T4 Q5 E32M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.39Å; M1-T4 CarbonylContact O-C 3.56Å; M1-T4 WeakPolarHBondContact O-CA 3.21Å; M1-T4 VanDerWaalsContact O-CB 3.29Å; M1-T4 WeakPolarHBondContact O-CB 3.31Å; M1-T4 PolarHBondContact O-N 3.29Å; M1-T4 VanDerWaalsContact O-N 3.13Å; M1-Q5 PolarHBondContact O-N 3.46Å; M1-E32 PolarHBondContact N-OE1 2.8Å; M1-E32 PolarHBondContact N-OE2 3.02Å
2L47.3Very low44.6Very low14 Ų1452.9 Ų52.97%0.07326%0.259CS..Hα-helixtrans-55.4-48.2175.5-101.2102.2000113.2T4 Q5 F6 P29 N283 V288L2-T4 PolarHBondContact O-N 2.9Å; L2-Q5 CarbonylContact O-C 3.49Å; L2-Q5 PolarHBondContact O-N 3.05Å; L2-Q5 VanDerWaalsContact O-N 3.08Å; L2-F6 WeakPolarHBondContact O-CB 3.4Å; L2-F6 PolarHBondContact O-N 3.05Å; L2-P29 HydrophobicContact CD1-CB 3.64Å; L2-P29 HydrophobicContact CD1-CG 3.66Å; L2-N283 HydrophobicContact CD1-CB 3.14Å; L2-N283 HydrophobicContact CD2-CB 3.63Å; L2-N283 HydrophobicContact CG-CB 3.49Å; L2-N283 VanDerWaalsContact CG-CB 3.49Å; L2-V288 HydrophobicContact CD1-CB 4.28Å; L2-V288 HydrophobicContact CD2-CB 3.82Å; L2-V288 HydrophobicContact CD2-CG1 3.72Å
3L49.8Very low43.8Very low16 Ų1653.5 Ų53.58%0.08426%0.257CS..Hα-helixtrans-59.3-41.9-178.4-165.379.1000107.7M1 L7 L36 L46 V304 L329M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.39Å; L3-L7 HydrophobicContact CD1-CD1 4.42Å; L3-L7 HydrophobicContact CD2-CD1 3.87Å; L3-L7 HydrophobicContact CG-CD1 3.58Å; L3-L7 HydrophobicContact CG-CG 4.05Å; L3-L7 WeakPolarHBondContact O-CA 3.33Å; L3-L7 WeakPolarHBondContact O-CB 3.43Å; L3-L7 WeakPolarHBondContact O-CD1 3.3Å; L3-L7 WeakPolarHBondContact O-CG 3.38Å; L3-L7 PolarHBondContact O-N 3.3Å; L3-L36 HydrophobicContact CD2-CD1 3.85Å; L3-L46 HydrophobicContact CD2-CD1 3.51Å; L3-L46 HydrophobicContact CD2-CD2 3.77Å; L3-L46 HydrophobicContact CD2-CG 4.29Å; L3-V304 HydrophobicContact CD1-CG2 3.98Å; L3-L329 HydrophobicContact CD1-CD1 4.37Å
4T47.5Very low42.8Very low37 Ų3755.1 Ų55.123%0.22730%0.295CS..Hα-helixtrans-61.7-43.4172.7-44.60000113.5M1 L2 L7 Q8 Y13M1-T4 CarbonylContact O-C 3.56Å; M1-T4 WeakPolarHBondContact O-CA 3.21Å; M1-T4 VanDerWaalsContact O-CB 3.29Å; M1-T4 WeakPolarHBondContact O-CB 3.31Å; M1-T4 PolarHBondContact O-N 3.29Å; M1-T4 VanDerWaalsContact O-N 3.13Å; L2-T4 PolarHBondContact O-N 2.9Å; T4-L7 CarbonylContact O-C 3.59Å; T4-Q8 HydrophobicContact CG2-CG 4.42Å; T4-Q8 WeakPolarHBondContact O-CA 3.46Å; T4-Q8 WeakPolarHBondContact O-CB 3.32Å; T4-Q8 WeakPolarHBondContact O-CG 3.4Å; T4-Q8 PolarHBondContact O-N 3Å; T4-Y13 HydrophobicContact CG2-CD1 3.95Å; T4-Y13 HydrophobicContact CG2-CD2 3.91Å; T4-Y13 HydrophobicContact CG2-CE1 3.97Å; T4-Y13 HydrophobicContact CG2-CE2 3.93Å; T4-Y13 HydrophobicContact CG2-CG 3.9Å
5Q51.4Low42Very low64 Ų6463.9 Ų63.930%0.29932%0.323SS..Hα-helixtrans-71.6-39.5178.7-75.4178.2-10.200113M1 L2 Q8 R9M1-Q5 PolarHBondContact O-N 3.46Å; L2-Q5 CarbonylContact O-C 3.49Å; L2-Q5 PolarHBondContact O-N 3.05Å; L2-Q5 VanDerWaalsContact O-N 3.08Å; Q5-Q8 PolarHBondContact O-N 2.86Å; Q5-R9 WeakPolarHBondContact O-CB 3.25Å; Q5-R9 VanDerWaalsContact O-CG 3.29Å; Q5-R9 WeakPolarHBondContact O-CG 3.06Å; Q5-R9 PolarHBondContact O-N 3.45Å
6F47.8Very low41.5Very low18 Ų1863.4 Ų63.48%0.07932%0.318CS..Hα-helixtrans-67.9-46.4174.4-179.5-109000110.2L2 Q8 R9 L10 A281 A290 F292 C302L2-F6 WeakPolarHBondContact O-CB 3.4Å; L2-F6 PolarHBondContact O-N 3.05Å; F6-Q8 VanDerWaalsContact C-N 3.32Å; F6-Q8 PolarHBondContact O-N 3.1Å; F6-R9 CarbonylContact O-C 3.32Å; F6-R9 PolarHBondContact O-N 2.75Å; F6-L10 HydrophobicContact CD1-CD1 3.63Å; F6-L10 HydrophobicContact CD2-CD1 4.43Å; F6-L10 HydrophobicContact CE1-CD1 3.14Å; F6-L10 HydrophobicContact CE1-CG 4.26Å; F6-L10 HydrophobicContact CE2-CD1 4.07Å; F6-L10 HydrophobicContact CE2-CG 4.44Å; F6-L10 HydrophobicContact CG-CD1 4.27Å; F6-L10 HydrophobicContact CZ-CD1 3.42Å; F6-L10 VanDerWaalsContact CZ-CD1 3.42Å; F6-L10 HydrophobicContact CZ-CG 4.24Å; F6-L10 VanDerWaalsContact O-CB 3.3Å; F6-L10 WeakPolarHBondContact O-CB 3.34Å; F6-L10 VanDerWaalsContact O-CG 3.23Å; F6-L10 WeakPolarHBondContact O-CG 3.39Å; F6-L10 PolarHBondContact O-N 3.4Å; F6-A281 HydrophobicContact CD2-CB 3.45Å; F6-A281 VanDerWaalsContact CD2-CB 3.45Å; F6-A281 HydrophobicContact CE2-CB 3.68Å; F6-A290 HydrophobicContact CB-CB 4.44Å; F6-A290 HydrophobicContact CD1-CB 3.53Å; F6-A290 HydrophobicContact CD2-CB 3.55Å; F6-A290 HydrophobicContact CE1-CB 3.45Å; F6-A290 VanDerWaalsContact CE1-CB 3.45Å; F6-A290 HydrophobicContact CE2-CB 3.46Å; F6-A290 VanDerWaalsContact CE2-CB 3.46Å; F6-A290 HydrophobicContact CG-CB 3.56Å; F6-A290 HydrophobicContact CZ-CB 3.4Å; F6-A290 VanDerWaalsContact CZ-CB 3.4Å; F6-F292 HydrophobicContact CZ-CE2 4.26Å; F6-F292 HydrophobicContact CZ-CZ 4.46Å; F6-C302 VanDerWaalsContact CE1-SG 3.53Å
7L47.3Very low40.8Very low5 Ų562.8 Ų62.83%0.02632%0.321CS..Hα-helixtrans-62.8-37.8170.8-67.6173000110.4L3 T4 L10 C11 L12 Y13 L46L3-L7 HydrophobicContact CD1-CD1 4.42Å; L3-L7 HydrophobicContact CD2-CD1 3.87Å; L3-L7 HydrophobicContact CG-CD1 3.58Å; L3-L7 HydrophobicContact CG-CG 4.05Å; L3-L7 WeakPolarHBondContact O-CA 3.33Å; L3-L7 WeakPolarHBondContact O-CB 3.43Å; L3-L7 WeakPolarHBondContact O-CD1 3.3Å; L3-L7 WeakPolarHBondContact O-CG 3.38Å; L3-L7 PolarHBondContact O-N 3.3Å; T4-L7 CarbonylContact O-C 3.59Å; L7-L10 CarbonylContact O-C 3.57Å; L7-L10 WeakPolarHBondContact O-CA 3.32Å; L7-L10 PolarHBondContact O-N 3.12Å; L7-C11 CarbonylContact O-C 3.55Å; L7-C11 PolarHBondContact O-N 3.24Å; L7-L12 HydrophobicContact CB-CB 3.62Å; L7-L12 HydrophobicContact CD2-CB 3.65Å; L7-L12 HydrophobicContact CD2-CD1 3.27Å; L7-L12 HydrophobicContact CD2-CG 3.96Å; L7-L12 HydrophobicContact CG-CB 4.15Å; L7-L12 WeakPolarHBondContact O-CA 3.24Å; L7-L12 WeakPolarHBondContact O-CB 3.3Å; L7-L12 PolarHBondContact O-N 3.37Å; L7-Y13 HydrophobicContact CB-CD2 3.73Å; L7-Y13 HydrophobicContact CB-CE2 4.28Å; L7-Y13 HydrophobicContact CD1-CD2 3.89Å; L7-Y13 HydrophobicContact CD1-CE2 3.62Å; L7-Y13 HydrophobicContact CG-CD2 4.5Å; L7-L46 HydrophobicContact CD1-CD2 3.68Å
8Q43.5Very low40.6Very low111 Ų11166 Ų6652%0.51935%0.347SS..Hα-helixtrans-65.6-42.8173.4-82.2167.3-12.200112T4 Q5 F6 L10 C11T4-Q8 HydrophobicContact CG2-CG 4.42Å; T4-Q8 WeakPolarHBondContact O-CA 3.46Å; T4-Q8 WeakPolarHBondContact O-CB 3.32Å; T4-Q8 WeakPolarHBondContact O-CG 3.4Å; T4-Q8 PolarHBondContact O-N 3Å; Q5-Q8 PolarHBondContact O-N 2.86Å; F6-Q8 VanDerWaalsContact C-N 3.32Å; F6-Q8 PolarHBondContact O-N 3.1Å; Q8-L10 PolarHBondContact O-N 2.87Å; Q8-C11 WeakPolarHBondContact O-CA 3.49Å; Q8-C11 PolarHBondContact O-N 3.4Å
9R40.7Very low40.5Very low141 Ų14167.7 Ų67.753%0.53236%0.36SS..Hα-helixtrans-62.2-33.3171.6-76.2179.6-176.7-172.64.4110.9Q5 F6 C11Q5-R9 WeakPolarHBondContact O-CB 3.25Å; Q5-R9 VanDerWaalsContact O-CG 3.29Å; Q5-R9 WeakPolarHBondContact O-CG 3.06Å; Q5-R9 PolarHBondContact O-N 3.45Å; F6-R9 CarbonylContact O-C 3.32Å; F6-R9 PolarHBondContact O-N 2.75Å; R9-C11 VanDerWaalsContact C-N 3.33Å
10L40.3Very low40.5Very low39 Ų3966.2 Ų66.220%0.20435%0.352CS..THydrogen-bonded Turntrans-84.84.1170.5-66.2175.1000114.4F6 L7 Q8 L12 L53 F292F6-L10 HydrophobicContact CD1-CD1 3.63Å; F6-L10 HydrophobicContact CD2-CD1 4.43Å; F6-L10 HydrophobicContact CE1-CD1 3.14Å; F6-L10 HydrophobicContact CE1-CG 4.26Å; F6-L10 HydrophobicContact CE2-CD1 4.07Å; F6-L10 HydrophobicContact CE2-CG 4.44Å; F6-L10 HydrophobicContact CG-CD1 4.27Å; F6-L10 HydrophobicContact CZ-CD1 3.42Å; F6-L10 VanDerWaalsContact CZ-CD1 3.42Å; F6-L10 HydrophobicContact CZ-CG 4.24Å; F6-L10 VanDerWaalsContact O-CB 3.3Å; F6-L10 WeakPolarHBondContact O-CB 3.34Å; F6-L10 VanDerWaalsContact O-CG 3.23Å; F6-L10 WeakPolarHBondContact O-CG 3.39Å; F6-L10 PolarHBondContact O-N 3.4Å; L7-L10 CarbonylContact O-C 3.57Å; L7-L10 WeakPolarHBondContact O-CA 3.32Å; L7-L10 PolarHBondContact O-N 3.12Å; Q8-L10 PolarHBondContact O-N 2.87Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 HydrophobicContact CB-CD1 3.97Å; L10-L12 HydrophobicContact CB-CG 4.5Å; L10-L12 HydrophobicContact CD1-CD1 4.37Å; L10-L12 PolarHBondContact O-N 3.19Å; L10-L53 WeakPolarHBondContact O-CD2 3.41Å; L10-F292 HydrophobicContact CD1-CE1 4.46Å; L10-F292 HydrophobicContact CD1-CE2 4.04Å; L10-F292 HydrophobicContact CD1-CZ 3.47Å; L10-F292 VanDerWaalsContact CD1-CZ 3.47Å; L10-F292 HydrophobicContact CD2-CE2 3.54Å; L10-F292 HydrophobicContact CD2-CZ 3.52Å; L10-F292 HydrophobicContact CG-CE2 4.41Å; L10-F292 HydrophobicContact CG-CZ 4.13Å
11C38.2Very low40.5Very low68 Ų6865.8 Ų65.846%0.45936%0.358SS..THydrogen-bonded Turntrans66.514.9-178.5-61.60000117.6L7 Q8 R9 L53 K57L7-C11 CarbonylContact O-C 3.55Å; L7-C11 PolarHBondContact O-N 3.24Å; Q8-C11 WeakPolarHBondContact O-CA 3.49Å; Q8-C11 PolarHBondContact O-N 3.4Å; R9-C11 VanDerWaalsContact C-N 3.33Å; C11-L53 HydrophobicContact CB-CD1 4.44Å; C11-L53 HydrophobicContact CB-CD2 3.9Å; C11-L53 WeakPolarHBondContact O-CD1 3.46Å; C11-K57 PolarHBondContact SG-NZ 3.26Å
12L36.2Very low40.2Very low13 Ų1364.5 Ų64.57%0.06836%0.358CS..THydrogen-bonded Turntrans-80-7.2-172.3-84.8159.7000117.9L7 L10 G49 Y50 L53L7-L12 HydrophobicContact CB-CB 3.62Å; L7-L12 HydrophobicContact CD2-CB 3.65Å; L7-L12 HydrophobicContact CD2-CD1 3.27Å; L7-L12 HydrophobicContact CD2-CG 3.96Å; L7-L12 HydrophobicContact CG-CB 4.15Å; L7-L12 WeakPolarHBondContact O-CA 3.24Å; L7-L12 WeakPolarHBondContact O-CB 3.3Å; L7-L12 PolarHBondContact O-N 3.37Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 HydrophobicContact CB-CD1 3.97Å; L10-L12 HydrophobicContact CB-CG 4.5Å; L10-L12 HydrophobicContact CD1-CD1 4.37Å; L10-L12 PolarHBondContact O-N 3.19Å; L12-G49 WeakPolarHBondContact CD2-O 3.34Å; L12-Y50 HydrophobicContact CD1-CD2 3.94Å; L12-Y50 VanDerWaalsContact CD2-N 3.35Å; L12-L53 HydrophobicContact CB-CD1 3.99Å; L12-L53 HydrophobicContact CD2-CB 3.61Å; L12-L53 HydrophobicContact CD2-CD1 3.45Å; L12-L53 VanDerWaalsContact CD2-CD1 3.45Å; L12-L53 HydrophobicContact CD2-CG 4.13Å; L12-L53 HydrophobicContact CG-CB 3.99Å; L12-L53 HydrophobicContact CG-CD1 3.49Å; L12-L53 VanDerWaalsContact CG-CD1 3.49Å; L12-L53 HydrophobicContact CG-CG 4.22Å
13Y34.5Very low40.1Very low60 Ų6068.1 Ų68.124%0.23538%0.38CS..THydrogen-bonded Turntrans-103.98-171.3-117.1-90000116.6T4 L7 R15 F16T4-Y13 HydrophobicContact CG2-CD1 3.95Å; T4-Y13 HydrophobicContact CG2-CD2 3.91Å; T4-Y13 HydrophobicContact CG2-CE1 3.97Å; T4-Y13 HydrophobicContact CG2-CE2 3.93Å; T4-Y13 HydrophobicContact CG2-CG 3.9Å; L7-Y13 HydrophobicContact CB-CD2 3.73Å; L7-Y13 HydrophobicContact CB-CE2 4.28Å; L7-Y13 HydrophobicContact CD1-CD2 3.89Å; L7-Y13 HydrophobicContact CD1-CE2 3.62Å; L7-Y13 HydrophobicContact CG-CD2 4.5Å; Y13-R15 PolarHBondContact O-N 3.47Å; Y13-F16 HydrophobicContact CE1-CB 4.45Å
14G29.1Very low40.1Very low77 Ų7768.8 Ų68.879%0.79438%0.383SS*.SBendtrans-70.9-5-178.500000116.2
15R31.1Very low40.2Very low186 Ų18674.8 Ų74.870%0.70241%0.408SS*.SBendtrans-139.23.3-173.5-69.4-169.4-179.7-167.80.2116.4Y13Y13-R15 PolarHBondContact O-N 3.47Å
16F33.9Very low40.4Very low57 Ų5780.7 Ų80.725%0.2544%0.435CS..SBendtrans-103.6118.4177.8-75-83.5000111Y13 R45Y13-F16 HydrophobicContact CE1-CB 4.45Å; F16-R45 HydrophobicContact CE1-CB 4.12Å; F16-R45 WeakPolarHBondContact CZ-O 3.33Å
17S30.7Very low41.1Very low53 Ų5382.2 Ų82.237%0.37144%0.444SS..  trans-37145.4-173.7179.60000116.7T19S17-T19 WeakPolarHBondContact CB-OG1 3.41Å; S17-T19 PolarHBondContact O-N 3.11Å; S17-T19 PolarHBondContact OG-N 3.12Å; S17-T19 PolarHBondContact OG-OG1 2.75Å
18P35.8Very low42Very low120 Ų12084.2 Ų84.278%0.77946%0.458SS*.G310 helixtrans-57.4-6.2170.7-21.231.8000115.7L20P18-L20 PolarHBondContact O-N 3.04Å
19T39Very low43Very low99 Ų9980.6 Ų80.661%0.60744%0.444SS*.G310 helixtrans-76.6-12.6-171.242.80000115.4S17S17-T19 WeakPolarHBondContact CB-OG1 3.41Å; S17-T19 PolarHBondContact O-N 3.11Å; S17-T19 PolarHBondContact OG-N 3.12Å; S17-T19 PolarHBondContact OG-OG1 2.75Å
20L41.1Very low44Very low37 Ų3776.3 Ų76.319%0.19443%0.43CS..G310 helixtrans-98.4-16178.7-74.1167.3000114P18 P22 V23 F24 L42P18-L20 PolarHBondContact O-N 3.04Å; L20-P22 VanDerWaalsContact C-CD 3.42Å; L20-V23 PolarHBondContact O-N 2.76Å; L20-F24 HydrophobicContact CB-CE2 4.32Å; L20-F24 HydrophobicContact CD2-CE2 4.38Å; L20-F24 VanDerWaalsContact O-CD2 3.28Å; L20-F24 WeakPolarHBondContact O-CD2 3.31Å; L20-L42 HydrophobicContact CD1-CD1 3.66Å
21A40Very low45.4Very low57 Ų5779.2 Ų79.247%0.47144%0.442SS..Hα-helixtrans-58.5-37.8-179.700000114.2V23 Q25A21-V23 PolarHBondContact O-N 2.97Å; A21-Q25 WeakPolarHBondContact O-CG 3.31Å
22P40.1Very low46.7Very low83 Ų8376.5 Ų76.554%0.53942%0.423SS..Hα-helixtrans-71.5-29.2-179.7-16.830.7000113.7L20 F24L20-P22 VanDerWaalsContact C-CD 3.42Å; P22-F24 VanDerWaalsContact C-N 3.27Å; P22-F24 PolarHBondContact O-N 3.07Å
23V45.2Very low48.2Very low90 Ų9076.1 Ų76.155%0.54542%0.421SS..Hα-helixtrans-71.4-26-174.6-178.50000111.8L20 A21L20-V23 PolarHBondContact O-N 2.76Å; A21-V23 PolarHBondContact O-N 2.97Å
24F49Very low50Low30 Ų3077.9 Ų77.913%0.13243%0.434CS..Hα-helixtrans-102.5-11.3-176.2-66.9-61.8000113.8L20 P22 E26 M27 E32 L36 L42L20-F24 HydrophobicContact CB-CE2 4.32Å; L20-F24 HydrophobicContact CD2-CE2 4.38Å; L20-F24 VanDerWaalsContact O-CD2 3.28Å; L20-F24 WeakPolarHBondContact O-CD2 3.31Å; P22-F24 VanDerWaalsContact C-N 3.27Å; P22-F24 PolarHBondContact O-N 3.07Å; F24-E26 PolarHBondContact O-N 2.9Å; F24-M27 PolarHBondContact O-N 3.42Å; F24-E32 HydrophobicContact CB-CG 4.26Å; F24-E32 WeakPolarHBondContact CB-OE1 3.47Å; F24-E32 HydrophobicContact CD1-CB 4.07Å; F24-E32 HydrophobicContact CD1-CG 3.78Å; F24-E32 HydrophobicContact CE1-CB 4.44Å; F24-E32 HydrophobicContact CG-CG 4.4Å; F24-L36 HydrophobicContact CZ-CD2 4.33Å; F24-L42 HydrophobicContact CE2-CD2 4.15Å; F24-L42 HydrophobicContact CZ-CD2 3.67Å
25Q48.6Very low52Low162 Ų16278.9 Ų78.976%0.75742%0.418SS*.THydrogen-bonded Turntrans-68.2-18.8-176.5-89177.4-900114.5A21A21-Q25 WeakPolarHBondContact O-CG 3.31Å
26E56.6Low53.7Low188 Ų18870.3 Ų70.388%0.87939%0.386SS*.THydrogen-bonded Turntrans-100.6-4.6179.1-63.5-170.5173.200113.7F24F24-E26 PolarHBondContact O-N 2.9Å
27M62Low55.4Low51 Ų5170.5 Ų70.525%0.25139%0.388SS..SBendtrans-102.2141.9-173.8-57.6-172.583.200110.8F24 E31 E32 Q35F24-M27 PolarHBondContact O-N 3.42Å; M27-E31 HydrophobicContact CB-CB 4.07Å; M27-E31 HydrophobicContact CE-CB 3.68Å; M27-E32 HydrophobicContact CB-CG 3.96Å; M27-Q35 HydrophobicContact CE-CG 3.4Å; M27-Q35 VanDerWaalsContact CE-CG 3.4Å; M27-Q35 HydrophobicContact SD-CG 4.1Å
28S66.7Low57.5Low47 Ų4771.9 Ų71.933%0.32940%0.397SS..  trans-62.4150.5166.665.90000109.9Q30 E31 E32S28-Q30 PolarHBondContact O-N 3.19Å; S28-E31 WeakPolarHBondContact CB-OE2 3.34Å; S28-E31 PolarHBondContact N-OE2 3.26Å; S28-E31 PolarHBondContact O-N 2.91Å; S28-E31 VanDerWaalsContact OG-CD 3.24Å; S28-E31 VanDerWaalsContact OG-CG 3.26Å; S28-E31 WeakPolarHBondContact OG-CG 3.42Å; S28-E31 PolarHBondContact OG-N 3.35Å; S28-E31 PolarHBondContact OG-OE2 3.42Å; S28-E32 PolarHBondContact O-N 3.11Å
29P63.7Low59.4Low35 Ų3569.5 Ų69.523%0.22738%0.378CS..Hα-helixtrans-51.3-28.5176-31.237.4000114.6L2 L33 V288L2-P29 HydrophobicContact CD1-CB 3.64Å; L2-P29 HydrophobicContact CD1-CG 3.66Å; P29-L33 WeakPolarHBondContact O-CB 3.37Å; P29-L33 PolarHBondContact O-N 2.97Å; P29-L33 VanDerWaalsContact O-N 3.1Å; P29-V288 HydrophobicContact CB-CG2 3.65Å
30Q62.9Low61Low51 Ų5169.3 Ų69.324%0.23838%0.377CS..Hα-helixtrans-71.5-41.8176-59.3-171.78.700112.5S28 L33 L34 F307S28-Q30 PolarHBondContact O-N 3.19Å; Q30-L33 PolarHBondContact O-N 2.95Å; Q30-L34 PolarHBondContact O-N 3.41Å; Q30-L34 VanDerWaalsContact O-N 3.08Å; Q30-F307 PolarHBondContact NE2-O 2.84Å
31E69.4Low62.2Low99 Ų9972.8 Ų72.846%0.46339%0.392SS..Hα-helixtrans-69.9-37.5176.3-69.8163.4141.600110.9M27 S28 L33 L34 Q35M27-E31 HydrophobicContact CB-CB 4.07Å; M27-E31 HydrophobicContact CE-CB 3.68Å; S28-E31 WeakPolarHBondContact CB-OE2 3.34Å; S28-E31 PolarHBondContact N-OE2 3.26Å; S28-E31 PolarHBondContact O-N 2.91Å; S28-E31 VanDerWaalsContact OG-CD 3.24Å; S28-E31 VanDerWaalsContact OG-CG 3.26Å; S28-E31 WeakPolarHBondContact OG-CG 3.42Å; S28-E31 PolarHBondContact OG-N 3.35Å; S28-E31 PolarHBondContact OG-OE2 3.42Å; E31-L33 VanDerWaalsContact C-N 3.32Å; E31-L33 PolarHBondContact O-N 3.12Å; E31-L34 PolarHBondContact O-N 3.04Å; E31-Q35 WeakPolarHBondContact O-CB 3.46Å; E31-Q35 WeakPolarHBondContact O-CG 3.26Å; E31-Q35 PolarHBondContact O-N 3.49Å
32E66.1Low63.4Low11 Ų1170.9 Ų70.95%0.05137%0.374CS..Hα-helixtrans-56.6-47.6170.5-61.5-171.7171.400110.7M1 F24 M27 S28 L34 Q35 L36M1-E32 PolarHBondContact N-OE1 2.8Å; M1-E32 PolarHBondContact N-OE2 3.02Å; F24-E32 HydrophobicContact CB-CG 4.26Å; F24-E32 WeakPolarHBondContact CB-OE1 3.47Å; F24-E32 HydrophobicContact CD1-CB 4.07Å; F24-E32 HydrophobicContact CD1-CG 3.78Å; F24-E32 HydrophobicContact CE1-CB 4.44Å; F24-E32 HydrophobicContact CG-CG 4.4Å; M27-E32 HydrophobicContact CB-CG 3.96Å; S28-E32 PolarHBondContact O-N 3.11Å; E32-L34 PolarHBondContact O-N 2.93Å; E32-Q35 PolarHBondContact O-N 3.4Å; E32-L36 WeakPolarHBondContact O-CB 3.45Å; E32-L36 WeakPolarHBondContact O-CD1 3.39Å; E32-L36 VanDerWaalsContact O-CG 3.22Å; E32-L36 WeakPolarHBondContact O-CG 3.33Å; E32-L36 PolarHBondContact O-N 3.36Å
33L66.5Low64.6Low6 Ų670.8 Ų70.83%0.03137%0.365CS..Hα-helixtrans-61.1-44.1-179.9-168.473.4000111.7P29 Q30 E31 L36 Q37 V304 S306 N325 L327P29-L33 WeakPolarHBondContact O-CB 3.37Å; P29-L33 PolarHBondContact O-N 2.97Å; P29-L33 VanDerWaalsContact O-N 3.1Å; Q30-L33 PolarHBondContact O-N 2.95Å; E31-L33 VanDerWaalsContact C-N 3.32Å; E31-L33 PolarHBondContact O-N 3.12Å; L33-L36 PolarHBondContact O-N 3.21Å; L33-Q37 VanDerWaalsContact O-CG 3.31Å; L33-Q37 WeakPolarHBondContact O-CG 3.43Å; L33-Q37 PolarHBondContact O-N 2.87Å; L33-V304 HydrophobicContact CD1-CB 4.07Å; L33-V304 HydrophobicContact CD1-CG1 3.86Å; L33-S306 WeakPolarHBondContact CD2-OG 3.32Å; L33-N325 HydrophobicContact CD2-CB 4.13Å; L33-L327 HydrophobicContact CD1-CB 3.37Å; L33-L327 HydrophobicContact CD1-CD2 4.05Å; L33-L327 HydrophobicContact CD1-CG 4.35Å; L33-L327 HydrophobicContact CG-CB 4.25Å
34L73.1Confident65.5Low96 Ų9669.2 Ų69.250%0.50336%0.361SS..Hα-helixtrans-64.8-43.2179.3-170.968.6000111.5Q30 E31 E32 L36 Q37 S38Q30-L34 PolarHBondContact O-N 3.41Å; Q30-L34 VanDerWaalsContact O-N 3.08Å; E31-L34 PolarHBondContact O-N 3.04Å; E32-L34 PolarHBondContact O-N 2.93Å; L34-L36 VanDerWaalsContact C-N 3.34Å; L34-L36 PolarHBondContact O-N 2.66Å; L34-Q37 WeakPolarHBondContact O-CB 3.5Å; L34-Q37 PolarHBondContact O-N 3.49Å; L34-S38 PolarHBondContact O-N 3.18Å; L34-S38 VanDerWaalsContact O-N 3.1Å; L34-S38 PolarHBondContact O-OG 3.25Å
35Q69.7Low66.1Low98 Ų9871.9 Ų71.946%0.45837%0.37SS..Hα-helixtrans-61.7-42.5174.7-75.7-65.6-1800111.8M27 E31 E32 Q37 S38 N39M27-Q35 HydrophobicContact CE-CG 3.4Å; M27-Q35 VanDerWaalsContact CE-CG 3.4Å; M27-Q35 HydrophobicContact SD-CG 4.1Å; E31-Q35 WeakPolarHBondContact O-CB 3.46Å; E31-Q35 WeakPolarHBondContact O-CG 3.26Å; E31-Q35 PolarHBondContact O-N 3.49Å; E32-Q35 PolarHBondContact O-N 3.4Å; Q35-Q37 VanDerWaalsContact C-N 3.32Å; Q35-Q37 PolarHBondContact O-N 3.2Å; Q35-S38 WeakPolarHBondContact CA-OG 3.25Å; Q35-S38 PolarHBondContact O-N 3.29Å; Q35-S38 PolarHBondContact O-OG 3.24Å; Q35-N39 VanDerWaalsContact O-CB 3.26Å; Q35-N39 WeakPolarHBondContact O-CB 3.48Å; Q35-N39 PolarHBondContact O-N 2.72Å
36L67.6Low66.8Low6 Ų664.9 Ų64.93%0.03134%0.338CS..Hα-helixtrans-64-35.7176-76166.1000112.7L3 F24 E32 L33 L34 L42 L46 L327L3-L36 HydrophobicContact CD2-CD1 3.85Å; F24-L36 HydrophobicContact CZ-CD2 4.33Å; E32-L36 WeakPolarHBondContact O-CB 3.45Å; E32-L36 WeakPolarHBondContact O-CD1 3.39Å; E32-L36 VanDerWaalsContact O-CG 3.22Å; E32-L36 WeakPolarHBondContact O-CG 3.33Å; E32-L36 PolarHBondContact O-N 3.36Å; L33-L36 PolarHBondContact O-N 3.21Å; L34-L36 VanDerWaalsContact C-N 3.34Å; L34-L36 PolarHBondContact O-N 2.66Å; L36-L42 HydrophobicContact CD2-CD2 3.38Å; L36-L42 HydrophobicContact CD2-CG 3.67Å; L36-L46 HydrophobicContact CD2-CD1 3.62Å; L36-L327 HydrophobicContact CB-CD2 3.97Å; L36-L327 HydrophobicContact CD1-CD2 4.2Å
37Q68.7Low67.1Low61 Ų6156.8 Ų56.829%0.28530%0.302SS..Hα-helixtrans-65.4-39.3174.2-74.4173.2-43.300111.7L33 L34 Q35 H326 L327L33-Q37 VanDerWaalsContact O-CG 3.31Å; L33-Q37 WeakPolarHBondContact O-CG 3.43Å; L33-Q37 PolarHBondContact O-N 2.87Å; L34-Q37 WeakPolarHBondContact O-CB 3.5Å; L34-Q37 PolarHBondContact O-N 3.49Å; Q35-Q37 VanDerWaalsContact C-N 3.32Å; Q35-Q37 PolarHBondContact O-N 3.2Å; Q37-H326 PolarHBondContact NE2-O 3.4Å; Q37-L327 HydrophobicContact CG-CB 4.46Å; Q37-L327 HydrophobicContact CG-CD1 4.11Å
38S76.2Confident66.9Low82 Ų8257.3 Ų57.357%0.57330%0.304SS*.Hα-helixtrans-79.2-24.417854.10000114.4L34 Q35 V40L34-S38 PolarHBondContact O-N 3.18Å; L34-S38 VanDerWaalsContact O-N 3.1Å; L34-S38 PolarHBondContact O-OG 3.25Å; Q35-S38 WeakPolarHBondContact CA-OG 3.25Å; Q35-S38 PolarHBondContact O-N 3.29Å; Q35-S38 PolarHBondContact O-OG 3.24Å; S38-V40 PolarHBondContact O-N 2.81Å
39N75.7Confident66.6Low71 Ų7155.4 Ų55.438%0.3829%0.292SS..  trans-91.389.4-176.6-168.4-37.1000111.5Q35 E41 L42 K43Q35-N39 VanDerWaalsContact O-CB 3.26Å; Q35-N39 WeakPolarHBondContact O-CB 3.48Å; Q35-N39 PolarHBondContact O-N 2.72Å; N39-E41 VanDerWaalsContact C-N 3.33Å; N39-E41 PolarHBondContact O-N 3.31Å; N39-E41 PolarHBondContact OD1-N 2.91Å; N39-L42 HydrophobicContact CB-CB 4.05Å; N39-L42 PolarHBondContact O-N 3.19Å; N39-L42 VanDerWaalsContact OD1-CB 3.31Å; N39-L42 WeakPolarHBondContact OD1-CB 3.33Å; N39-L42 PolarHBondContact OD1-N 3.08Å; N39-K43 WeakPolarHBondContact O-CB 3.18Å; N39-K43 PolarHBondContact O-N 3.01Å
40V72.9Confident66.3Low94 Ų9454.4 Ų54.457%0.5728%0.284SS*.Hα-helixtrans-56.6-43.1-177.6-179.60000112.5S38 K43 A44S38-V40 PolarHBondContact O-N 2.81Å; V40-K43 PolarHBondContact O-N 3.3Å; V40-A44 WeakPolarHBondContact O-CB 3.47Å; V40-A44 PolarHBondContact O-N 2.97Å
41E66.2Low66.1Low111 Ų11152.7 Ų52.752%0.51928%0.276SS..Hα-helixtrans-64.6-45.8-178.9-172.3-171.3159.800111.3N39 A44 R45N39-E41 VanDerWaalsContact C-N 3.33Å; N39-E41 PolarHBondContact O-N 3.31Å; N39-E41 PolarHBondContact OD1-N 2.91Å; E41-A44 PolarHBondContact O-N 3.22Å; E41-R45 WeakPolarHBondContact O-CG 3.48Å; E41-R45 PolarHBondContact O-N 2.89Å
42L64.9Low65.3Low17 Ų1749.7 Ų49.79%0.08926%0.262CS..Hα-helixtrans-67-40.2179.8-174.156.4000111.5L20 F24 L36 N39 A44 R45 L46L20-L42 HydrophobicContact CD1-CD1 3.66Å; F24-L42 HydrophobicContact CE2-CD2 4.15Å; F24-L42 HydrophobicContact CZ-CD2 3.67Å; L36-L42 HydrophobicContact CD2-CD2 3.38Å; L36-L42 HydrophobicContact CD2-CG 3.67Å; N39-L42 HydrophobicContact CB-CB 4.05Å; N39-L42 PolarHBondContact O-N 3.19Å; N39-L42 VanDerWaalsContact OD1-CB 3.31Å; N39-L42 WeakPolarHBondContact OD1-CB 3.33Å; N39-L42 PolarHBondContact OD1-N 3.08Å; L42-A44 VanDerWaalsContact C-N 3.34Å; L42-A44 PolarHBondContact O-N 3.46Å; L42-R45 PolarHBondContact O-N 3.16Å; L42-L46 HydrophobicContact CG-CD1 4.37Å; L42-L46 VanDerWaalsContact O-CG 3.32Å; L42-L46 WeakPolarHBondContact O-CG 3.39Å; L42-L46 PolarHBondContact O-N 3.32Å
43K65.2Low64.7Low80 Ų8050.3 Ų50.335%0.34827%0.265SS..Hα-helixtrans-58.6-44.8172.6-174.9-179.2177.6-1740111.4N39 V40 L46 S47 L327 L328N39-K43 WeakPolarHBondContact O-CB 3.18Å; N39-K43 PolarHBondContact O-N 3.01Å; V40-K43 PolarHBondContact O-N 3.3Å; K43-L46 PolarHBondContact O-N 3.15Å; K43-S47 PolarHBondContact O-N 3.26Å; K43-S47 PolarHBondContact O-OG 3.09Å; K43-L327 HydrophobicContact CD-CD1 4.27Å; K43-L327 HydrophobicContact CG-CD1 4.38Å; K43-L328 WeakPolarHBondContact CE-O 3.37Å
44A64.1Low63.9Low57 Ų5751.9 Ų51.947%0.47127%0.271SS..Hα-helixtrans-62.3-43.4177.200000112.3V40 E41 L42 L46 S47 Q48V40-A44 WeakPolarHBondContact O-CB 3.47Å; V40-A44 PolarHBondContact O-N 2.97Å; E41-A44 PolarHBondContact O-N 3.22Å; L42-A44 VanDerWaalsContact C-N 3.34Å; L42-A44 PolarHBondContact O-N 3.46Å; A44-L46 VanDerWaalsContact C-N 3.34Å; A44-L46 PolarHBondContact O-N 3.2Å; A44-S47 PolarHBondContact O-N 3.28Å; A44-Q48 WeakPolarHBondContact O-CB 3.37Å; A44-Q48 PolarHBondContact O-N 2.88Å
45R62Low62.8Low86 Ų8649.5 Ų49.533%0.32526%0.258SS..Hα-helixtrans-62.2-40.2176.3-72.1176.566.9-178.11.3112.5F16 E41 L42 Q48 G49F16-R45 HydrophobicContact CE1-CB 4.12Å; F16-R45 WeakPolarHBondContact CZ-O 3.33Å; E41-R45 WeakPolarHBondContact O-CG 3.48Å; E41-R45 PolarHBondContact O-N 2.89Å; L42-R45 PolarHBondContact O-N 3.16Å; R45-Q48 PolarHBondContact O-N 3.28Å; R45-G49 PolarHBondContact O-N 2.82Å
46L62.4Low61.6Low16 Ų1650.8 Ų50.88%0.08426%0.264CS..Hα-helixtrans-65.4-44.4175.5-73167.9000111.9L3 L7 L36 L42 K43 A44 Q48 G49 Y50 L329L3-L46 HydrophobicContact CD2-CD1 3.51Å; L3-L46 HydrophobicContact CD2-CD2 3.77Å; L3-L46 HydrophobicContact CD2-CG 4.29Å; L7-L46 HydrophobicContact CD1-CD2 3.68Å; L36-L46 HydrophobicContact CD2-CD1 3.62Å; L42-L46 HydrophobicContact CG-CD1 4.37Å; L42-L46 VanDerWaalsContact O-CG 3.32Å; L42-L46 WeakPolarHBondContact O-CG 3.39Å; L42-L46 PolarHBondContact O-N 3.32Å; K43-L46 PolarHBondContact O-N 3.15Å; A44-L46 VanDerWaalsContact C-N 3.34Å; A44-L46 PolarHBondContact O-N 3.2Å; L46-Q48 VanDerWaalsContact C-N 3.31Å; L46-Q48 PolarHBondContact O-N 2.87Å; L46-G49 PolarHBondContact O-N 3.1Å; L46-Y50 WeakPolarHBondContact O-CB 3.45Å; L46-Y50 PolarHBondContact O-N 3.49Å; L46-L329 HydrophobicContact CB-CD2 4.02Å
47S62.4Low60.4Low17 Ų1755.4 Ų55.412%0.11928%0.284CS..Hα-helixtrans-60.6-39.9173.9-63.90000112.1K43 A44 Y50 Q51K43-S47 PolarHBondContact O-N 3.26Å; K43-S47 PolarHBondContact O-OG 3.09Å; A44-S47 PolarHBondContact O-N 3.28Å; S47-Y50 WeakPolarHBondContact O-CB 3.19Å; S47-Y50 PolarHBondContact O-N 2.94Å; S47-Q51 WeakPolarHBondContact O-CB 3.45Å; S47-Q51 PolarHBondContact O-N 2.75Å
48Q59.4Low59.2Low63 Ų6355.3 Ų55.329%0.29428%0.284SS..Hα-helixtrans-65.7-42.1176.1-167.1-175.113.800112A44 R45 L46 Q51 Q52 F363A44-Q48 WeakPolarHBondContact O-CB 3.37Å; A44-Q48 PolarHBondContact O-N 2.88Å; R45-Q48 PolarHBondContact O-N 3.28Å; L46-Q48 VanDerWaalsContact C-N 3.31Å; L46-Q48 PolarHBondContact O-N 2.87Å; Q48-Q51 PolarHBondContact O-N 2.94Å; Q48-Q52 PolarHBondContact O-N 2.97Å; Q48-F363 HydrophobicContact CG-CE2 3.89Å
49G59.2Low57.2Low7 Ų755.4 Ų55.47%0.07228%0.281CS..Hα-helixtrans-58.7-50.1172.600000111.1L12 R45 L46 Q51 Q52 L53L12-G49 WeakPolarHBondContact CD2-O 3.34Å; R45-G49 PolarHBondContact O-N 2.82Å; L46-G49 PolarHBondContact O-N 3.1Å; G49-Q51 VanDerWaalsContact C-N 3.31Å; G49-Q51 PolarHBondContact O-N 2.78Å; G49-Q52 PolarHBondContact O-N 2.81Å; G49-Q52 VanDerWaalsContact O-N 3.13Å; G49-L53 PolarHBondContact O-N 3.39Å
50Y57.7Low54.9Low13 Ų1356 Ų565%0.05129%0.289CS..Hα-helixtrans-52.3-48.8175.9179.3-112.4000111.7L12 L46 S47 Q52 L53 W54 F292 G300 C302L12-Y50 HydrophobicContact CD1-CD2 3.94Å; L12-Y50 VanDerWaalsContact CD2-N 3.35Å; L46-Y50 WeakPolarHBondContact O-CB 3.45Å; L46-Y50 PolarHBondContact O-N 3.49Å; S47-Y50 WeakPolarHBondContact O-CB 3.19Å; S47-Y50 PolarHBondContact O-N 2.94Å; Y50-Q52 PolarHBondContact O-N 3.1Å; Y50-L53 PolarHBondContact O-N 3.4Å; Y50-W54 WeakPolarHBondContact O-CB 3.25Å; Y50-W54 PolarHBondContact O-N 2.81Å; Y50-F292 AromaticContact CE2-CE1 3.6Å; Y50-F292 HydrophobicContact CE2-CE1 3.6Å; Y50-F292 HydrophobicContact CE2-CZ 4.32Å; Y50-F292 AromaticContact CZ-CE1 3.89Å; Y50-F292 WeakPolarHBondContact OH-CE1 3.29Å; Y50-G300 PolarHBondContact OH-O 3.37Å; Y50-C302 HydrophobicContact CE2-CB 4.2Å
51Q59.2Low53Low16 Ų1654.8 Ų54.88%0.07528%0.277CS..Hα-helixtrans-59-44.7176.6179.5-179.78.800113.1S47 Q48 G49 L53 W54 L55 L331 F363S47-Q51 WeakPolarHBondContact O-CB 3.45Å; S47-Q51 PolarHBondContact O-N 2.75Å; Q48-Q51 PolarHBondContact O-N 2.94Å; G49-Q51 VanDerWaalsContact C-N 3.31Å; G49-Q51 PolarHBondContact O-N 2.78Å; Q51-L53 PolarHBondContact O-N 2.72Å; Q51-W54 PolarHBondContact O-N 2.93Å; Q51-L55 HydrophobicContact CG-CD1 3.99Å; Q51-L55 WeakPolarHBondContact O-CB 3.46Å; Q51-L55 VanDerWaalsContact O-CG 3.31Å; Q51-L55 WeakPolarHBondContact O-CG 3.36Å; Q51-L55 PolarHBondContact O-N 2.82Å; Q51-L331 HydrophobicContact CB-CD2 3.78Å; Q51-L331 HydrophobicContact CG-CD2 3.78Å; Q51-F363 HydrophobicContact CG-CE1 4.5Å; Q51-F363 HydrophobicContact CG-CZ 3.95Å
52Q53Low51.2Low35 Ų3550.9 Ų50.916%0.16426%0.259CS..Hα-helixtrans-61.8-32.7178.9-76.3-155.2-16.100112.4Q48 G49 Y50 L55 Q56 L362 F363Q48-Q52 PolarHBondContact O-N 2.97Å; G49-Q52 PolarHBondContact O-N 2.81Å; G49-Q52 VanDerWaalsContact O-N 3.13Å; Y50-Q52 PolarHBondContact O-N 3.1Å; Q52-L55 PolarHBondContact O-N 2.89Å; Q52-Q56 VanDerWaalsContact O-CB 3.26Å; Q52-Q56 WeakPolarHBondContact O-CB 3.47Å; Q52-Q56 VanDerWaalsContact O-CG 3.24Å; Q52-Q56 WeakPolarHBondContact O-CG 3.26Å; Q52-Q56 PolarHBondContact O-N 2.95Å; Q52-L362 PolarHBondContact NE2-O 3.36Å; Q52-L362 VanDerWaalsContact NE2-O 3.11Å; Q52-F363 HydrophobicContact CG-CE1 3.97Å; Q52-F363 HydrophobicContact CG-CE2 4.2Å; Q52-F363 HydrophobicContact CG-CZ 3.4Å; Q52-F363 VanDerWaalsContact CG-CZ 3.4Å
53L52.7Low49.7Very low24 Ų2456.2 Ų56.213%0.12628%0.279CS..Hα-helixtrans-84-35.4-178-124.3135.8000113.8L10 C11 L12 G49 Y50 Q51 L55 Q56 K57L10-L53 WeakPolarHBondContact O-CD2 3.41Å; C11-L53 HydrophobicContact CB-CD1 4.44Å; C11-L53 HydrophobicContact CB-CD2 3.9Å; C11-L53 WeakPolarHBondContact O-CD1 3.46Å; L12-L53 HydrophobicContact CB-CD1 3.99Å; L12-L53 HydrophobicContact CD2-CB 3.61Å; L12-L53 HydrophobicContact CD2-CD1 3.45Å; L12-L53 VanDerWaalsContact CD2-CD1 3.45Å; L12-L53 HydrophobicContact CD2-CG 4.13Å; L12-L53 HydrophobicContact CG-CB 3.99Å; L12-L53 HydrophobicContact CG-CD1 3.49Å; L12-L53 VanDerWaalsContact CG-CD1 3.49Å; L12-L53 HydrophobicContact CG-CG 4.22Å; G49-L53 PolarHBondContact O-N 3.39Å; Y50-L53 PolarHBondContact O-N 3.4Å; Q51-L53 PolarHBondContact O-N 2.72Å; L53-L55 PolarHBondContact O-N 3.28Å; L53-Q56 PolarHBondContact O-N 3.43Å; L53-K57 HydrophobicContact CD2-CD 3.67Å; L53-K57 HydrophobicContact CD2-CG 3.85Å; L53-K57 WeakPolarHBondContact O-CB 3.45Å; L53-K57 PolarHBondContact O-N 2.93Å
54W49.5Very low48Very low39 Ų3953 Ų5315%0.14827%0.265CS..Hα-helixtrans-53-46.4164.2-159.672.5000109.9Y50 Q51 E58 L62 L331Y50-W54 WeakPolarHBondContact O-CB 3.25Å; Y50-W54 PolarHBondContact O-N 2.81Å; Q51-W54 PolarHBondContact O-N 2.93Å; W54-E58 VanDerWaalsContact CD1-OE2 3.26Å; W54-E58 VanDerWaalsContact CE2-OE2 3.29Å; W54-E58 PolarHBondContact NE1-OE2 3.45Å; W54-E58 WeakPolarHBondContact O-CA 3.26Å; W54-E58 WeakPolarHBondContact O-CB 3.39Å; W54-E58 WeakPolarHBondContact O-CG 3.37Å; W54-E58 PolarHBondContact O-N 2.95Å; W54-L62 HydrophobicContact CD2-CD1 4.49Å; W54-L62 HydrophobicContact CE3-CD1 4.19Å; W54-L62 HydrophobicContact CH2-CD1 3.39Å; W54-L62 HydrophobicContact CH2-CD2 3.71Å; W54-L62 HydrophobicContact CH2-CG 4.19Å; W54-L62 HydrophobicContact CZ2-CD1 3.71Å; W54-L62 HydrophobicContact CZ2-CD2 3.63Å; W54-L62 HydrophobicContact CZ2-CG 4.19Å; W54-L62 HydrophobicContact CZ3-CD1 3.64Å; W54-L331 HydrophobicContact CD2-CD1 4.25Å; W54-L331 HydrophobicContact CE3-CD1 4.09Å; W54-L331 HydrophobicContact CH2-CD1 4.45Å; W54-L331 HydrophobicContact CZ3-CD1 4.2Å
55L49.5Very low46.3Very low46 Ų4651.3 Ų51.324%0.24125%0.254CS..Hα-helixtrans-71.8-39.9177.2-67.7166.5000114.2Q51 Q52 L53 V59 F363Q51-L55 HydrophobicContact CG-CD1 3.99Å; Q51-L55 WeakPolarHBondContact O-CB 3.46Å; Q51-L55 VanDerWaalsContact O-CG 3.31Å; Q51-L55 WeakPolarHBondContact O-CG 3.36Å; Q51-L55 PolarHBondContact O-N 2.82Å; Q52-L55 PolarHBondContact O-N 2.89Å; L53-L55 PolarHBondContact O-N 3.28Å; L55-V59 HydrophobicContact CB-CG2 4.45Å; L55-V59 HydrophobicContact CD2-CG2 4.03Å; L55-V59 VanDerWaalsContact O-CG2 3.22Å; L55-V59 WeakPolarHBondContact O-CG2 3.41Å; L55-V59 PolarHBondContact O-N 3.27Å; L55-F363 HydrophobicContact CD1-CD1 4.43Å; L55-F363 HydrophobicContact CD1-CE1 3.63Å; L55-F363 HydrophobicContact CD1-CZ 4.38Å
56Q44.4Very low44.9Very low126 Ų12647.7 Ų47.759%0.58924%0.241SC*.Hα-helixtrans-74.5-30.3-177.5-80.3177.53.500113.5Q52 L53Q52-Q56 VanDerWaalsContact O-CB 3.26Å; Q52-Q56 WeakPolarHBondContact O-CB 3.47Å; Q52-Q56 VanDerWaalsContact O-CG 3.24Å; Q52-Q56 WeakPolarHBondContact O-CG 3.26Å; Q52-Q56 PolarHBondContact O-N 2.95Å; L53-Q56 PolarHBondContact O-N 3.43Å
57K42.1Very low43.6Very low102 Ų10249.3 Ų49.344%0.44325%0.246SC..Hα-helixtrans-92.5-24.2175.6-73.3-166.1172.2-170.30113.3C11 L53C11-K57 PolarHBondContact SG-NZ 3.26Å; L53-K57 HydrophobicContact CD2-CD 3.67Å; L53-K57 HydrophobicContact CD2-CG 3.85Å; L53-K57 WeakPolarHBondContact O-CB 3.45Å; L53-K57 PolarHBondContact O-N 2.93Å
58E44.3Very low42Very low59 Ų5950.9 Ų50.928%0.27625%0.253SS..Hα-helixtrans-121.30.4-165.3-48.6-174177.500117.3W54 P60 E61 L62W54-E58 VanDerWaalsContact CD1-OE2 3.26Å; W54-E58 VanDerWaalsContact CE2-OE2 3.29Å; W54-E58 PolarHBondContact NE1-OE2 3.45Å; W54-E58 WeakPolarHBondContact O-CA 3.26Å; W54-E58 WeakPolarHBondContact O-CB 3.39Å; W54-E58 WeakPolarHBondContact O-CG 3.37Å; W54-E58 PolarHBondContact O-N 2.95Å; E58-P60 VanDerWaalsContact C-N 3.33Å; E58-E61 PolarHBondContact O-N 3.25Å; E58-E61 VanDerWaalsContact O-N 3.16Å; E58-L62 HydrophobicContact CB-CD1 3.73Å; E58-L62 HydrophobicContact CB-CG 3.93Å; E58-L62 WeakPolarHBondContact O-CB 3.41Å; E58-L62 VanDerWaalsContact O-CD1 3.29Å; E58-L62 WeakPolarHBondContact O-CD1 3.45Å; E58-L62 WeakPolarHBondContact O-CG 3.35Å; E58-L62 PolarHBondContact O-N 3.13Å
59V33.7Very low40.7Very low85 Ų8550.9 Ų50.952%0.51526%0.257SS..THydrogen-bonded Turntrans-63.3-32.7175.2176.90000113.3L55L55-V59 HydrophobicContact CB-CG2 4.45Å; L55-V59 HydrophobicContact CD2-CG2 4.03Å; L55-V59 VanDerWaalsContact O-CG2 3.22Å; L55-V59 WeakPolarHBondContact O-CG2 3.41Å; L55-V59 PolarHBondContact O-N 3.27Å
60P27.5Very low39.3Very low84 Ų8454.7 Ų54.755%0.54527%0.27SS..THydrogen-bonded Turntrans-82.9-29.3167.9-12.329.6000113.7E58 L64E58-P60 VanDerWaalsContact C-N 3.33Å; P60-L64 WeakPolarHBondContact O-CD1 3.07Å; P60-L64 WeakPolarHBondContact O-CG 3.3Å
61E32.9Very low38Very low68 Ų6860.5 Ų60.532%0.31829%0.292SS..THydrogen-bonded Turntrans-86.5-18.6-174.6-60.1-168.7153.200113.7E58 Y63 L64 G65 R71E58-E61 PolarHBondContact O-N 3.25Å; E58-E61 VanDerWaalsContact O-N 3.16Å; E61-Y63 PolarHBondContact O-N 3.12Å; E61-L64 CarbonylContact O-C 3.1Å; E61-L64 WeakPolarHBondContact O-CA 3.32Å; E61-L64 PolarHBondContact O-N 3.3Å; E61-G65 PolarHBondContact O-N 2.93Å; E61-R71 IonicContact OE1-CZ 3.9Å; E61-R71 VanDerWaalsContact OE1-CZ 3.3Å; E61-R71 IonicContact OE1-NH1 2.81Å; E61-R71 PolarHBondContact OE1-NH1 2.94Å; E61-R71 IonicContact OE1-NH2 3.7Å; E61-R71 PolarHBondContact OE1-NH2 3.01Å
62L30Very low36.6Very low28 Ų2868.7 Ų68.715%0.14732%0.324CS..THydrogen-bonded Turntrans-67.5-22.3175.3-91.4151.3000113.6W54 E58W54-L62 HydrophobicContact CD2-CD1 4.49Å; W54-L62 HydrophobicContact CE3-CD1 4.19Å; W54-L62 HydrophobicContact CH2-CD1 3.39Å; W54-L62 HydrophobicContact CH2-CD2 3.71Å; W54-L62 HydrophobicContact CH2-CG 4.19Å; W54-L62 HydrophobicContact CZ2-CD1 3.71Å; W54-L62 HydrophobicContact CZ2-CD2 3.63Å; W54-L62 HydrophobicContact CZ2-CG 4.19Å; W54-L62 HydrophobicContact CZ3-CD1 3.64Å; E58-L62 HydrophobicContact CB-CD1 3.73Å; E58-L62 HydrophobicContact CB-CG 3.93Å; E58-L62 WeakPolarHBondContact O-CB 3.41Å; E58-L62 VanDerWaalsContact O-CD1 3.29Å; E58-L62 WeakPolarHBondContact O-CD1 3.45Å; E58-L62 WeakPolarHBondContact O-CG 3.35Å; E58-L62 PolarHBondContact O-N 3.13Å
63Y32.1Very low35.4Very low129 Ų12977.9 Ų77.951%0.50636%0.357SS..THydrogen-bonded Turntrans-89.2-10.1168.5-76-84.8000112.5E61 W67 F622E61-Y63 PolarHBondContact O-N 3.12Å; Y63-W67 VanDerWaalsContact O-CD1 3.25Å; Y63-W67 PolarHBondContact O-NE1 3.1Å; Y63-F622 AromaticContact CD1-CE2 3.75Å; Y63-F622 HydrophobicContact CD1-CE2 3.75Å; Y63-F622 HydrophobicContact CD1-CZ 4.2Å; Y63-F622 HydrophobicContact CE1-CE2 4.39Å
64L29.1Very low34.2Very low13 Ų1379.7 Ų79.77%0.06838%0.375CS..  trans-102.85.6-177.3-64.3168.6000113.7P60 E61 V66 W67 D68 F612P60-L64 WeakPolarHBondContact O-CD1 3.07Å; P60-L64 WeakPolarHBondContact O-CG 3.3Å; E61-L64 CarbonylContact O-C 3.1Å; E61-L64 WeakPolarHBondContact O-CA 3.32Å; E61-L64 PolarHBondContact O-N 3.3Å; L64-V66 PolarHBondContact O-N 3.25Å; L64-W67 VanDerWaalsContact CA-CD1 3.43Å; L64-W67 HydrophobicContact CB-CB 4.17Å; L64-W67 HydrophobicContact CD2-CB 3.91Å; L64-W67 HydrophobicContact CD2-CG 4.01Å; L64-W67 VanDerWaalsContact O-CA 3.27Å; L64-W67 WeakPolarHBondContact O-CA 3.5Å; L64-W67 WeakPolarHBondContact O-CB 3.38Å; L64-W67 PolarHBondContact O-N 3.23Å; L64-D68 WeakPolarHBondContact CB-OD2 3.36Å; L64-D68 PolarHBondContact O-N 3.02Å; L64-F612 WeakPolarHBondContact CD1-O 3.3Å; L64-F612 VanDerWaalsContact CD2-O 3.3Å; L64-F612 WeakPolarHBondContact CD2-O 3.48Å
65G29.9Very low33.2Very low22 Ų2281.7 Ų81.723%0.22740%0.395CS..THydrogen-bonded Turntrans-66.1-9.1-177.100000116.9E61 R430E61-G65 PolarHBondContact O-N 2.93Å; G65-R430 PolarHBondContact O-NH1 3.25Å
66V32.5Very low32.2Very low9 Ų987.9 Ų87.96%0.05543%0.428CS..THydrogen-bonded Turntrans-97.4-6.5166.4-169.20000112.2L64 Y414 F421 L423 F433L64-V66 PolarHBondContact O-N 3.25Å; V66-Y414 HydrophobicContact CG1-CE1 4.05Å; V66-Y414 VanDerWaalsContact CG1-OH 3.3Å; V66-Y414 WeakPolarHBondContact CG1-OH 3.43Å; V66-Y414 HydrophobicContact CG2-CE1 4.49Å; V66-F421 HydrophobicContact CG1-CE1 4.39Å; V66-F421 HydrophobicContact CG1-CZ 4.14Å; V66-L423 HydrophobicContact CG1-CD2 4.06Å; V66-F433 HydrophobicContact CG2-CD1 4.12Å; V66-F433 HydrophobicContact CG2-CE1 3.32Å; V66-F433 HydrophobicContact CG2-CZ 3.9Å
67W33.8Very low31.5Very low50 Ų5090.4 Ų90.419%0.18944%0.44CS..THydrogen-bonded Turntrans-113.5-19.7-161.1-53.593.9000114.2Y63 L64 V69 W499Y63-W67 VanDerWaalsContact O-CD1 3.25Å; Y63-W67 PolarHBondContact O-NE1 3.1Å; L64-W67 VanDerWaalsContact CA-CD1 3.43Å; L64-W67 HydrophobicContact CB-CB 4.17Å; L64-W67 HydrophobicContact CD2-CB 3.91Å; L64-W67 HydrophobicContact CD2-CG 4.01Å; L64-W67 VanDerWaalsContact O-CA 3.27Å; L64-W67 WeakPolarHBondContact O-CA 3.5Å; L64-W67 WeakPolarHBondContact O-CB 3.38Å; L64-W67 PolarHBondContact O-N 3.23Å; W67-V69 PolarHBondContact O-N 3.02Å; W67-W499 AromaticContact CE3-CD1 3.93Å; W67-W499 HydrophobicContact CE3-CG 4.14Å; W67-W499 HydrophobicContact CH2-CB 3.07Å; W67-W499 AromaticContact CH2-CD1 3.79Å; W67-W499 AromaticContact CH2-CD2 3.38Å; W67-W499 HydrophobicContact CH2-CD2 3.38Å; W67-W499 AromaticContact CH2-CE3 3.68Å; W67-W499 HydrophobicContact CH2-CE3 3.68Å; W67-W499 AromaticContact CH2-CG 3.15Å; W67-W499 HydrophobicContact CH2-CG 3.15Å; W67-W499 HydrophobicContact CZ2-CB 4.39Å; W67-W499 HydrophobicContact CZ2-CD2 4.49Å; W67-W499 HydrophobicContact CZ2-CG 4.49Å; W67-W499 HydrophobicContact CZ3-CB 3.16Å; W67-W499 AromaticContact CZ3-CD1 3.08Å; W67-W499 AromaticContact CZ3-CD2 3.51Å; W67-W499 HydrophobicContact CZ3-CD2 3.51Å; W67-W499 HydrophobicContact CZ3-CE3 4.28Å; W67-W499 AromaticContact CZ3-CG 2.96Å; W67-W499 HydrophobicContact CZ3-CG 2.96Å; W67-W499 AromaticContact CZ3-NE1 3.66Å
68D30Very low31Very low50 Ų5093 Ų9327%0.26745%0.454SS..G310 helixtrans-91.19.6-167.6-88.7-46.8000117.1L64 Y70 R71L64-D68 WeakPolarHBondContact CB-OD2 3.36Å; L64-D68 PolarHBondContact O-N 3.02Å; D68-Y70 VanDerWaalsContact C-N 3.3Å; D68-Y70 PolarHBondContact O-N 3.32Å; D68-R71 IonicContact OD1-CZ 2.76Å; D68-R71 IonicContact OD1-NE 3.22Å; D68-R71 PolarHBondContact OD1-NE 2.82Å; D68-R71 VanDerWaalsContact OD1-NE 3.09Å; D68-R71 IonicContact OD1-NH2 3.29Å; D68-R71 PolarHBondContact OD1-NH2 3.46Å
69V32.1Very low30.3Very low63 Ų6396.3 Ų96.338%0.38248%0.478SS..G310 helixtrans-77.9-7.4179.8179.80000113.8W67 F421W67-V69 PolarHBondContact O-N 3.02Å; V69-F421 HydrophobicContact CB-CD2 4.2Å; V69-F421 HydrophobicContact CB-CE2 3.97Å; V69-F421 HydrophobicContact CG1-CD2 4.37Å; V69-F421 HydrophobicContact CG2-CD2 4.06Å; V69-F421 HydrophobicContact CG2-CE2 3.56Å
70Y29.9Very low30.1Very low88 Ų88100.9 Ų100.935%0.34549%0.494SS..G310 helixtrans-105.514.5-178-70.5-78.5000116D68 Y72 Y416D68-Y70 VanDerWaalsContact C-N 3.3Å; D68-Y70 PolarHBondContact O-N 3.32Å; Y70-Y72 PolarHBondContact O-N 3.26Å; Y70-Y416 WeakPolarHBondContact CE2-OH 3.36Å; Y70-Y416 PolarHBondContact OH-OH 2.66Å
71R30.8Very low30.2Very low135 Ų135103.5 Ų103.551%0.50951%0.511SS..  trans-70.316.5-177.4-107.9-171.8-153.1-1778.8116.7E61 D68E61-R71 IonicContact OE1-CZ 3.9Å; E61-R71 VanDerWaalsContact OE1-CZ 3.3Å; E61-R71 IonicContact OE1-NH1 2.81Å; E61-R71 PolarHBondContact OE1-NH1 2.94Å; E61-R71 IonicContact OE1-NH2 3.7Å; E61-R71 PolarHBondContact OE1-NH2 3.01Å; D68-R71 IonicContact OD1-CZ 2.76Å; D68-R71 IonicContact OD1-NE 3.22Å; D68-R71 PolarHBondContact OD1-NE 2.82Å; D68-R71 VanDerWaalsContact OD1-NE 3.09Å; D68-R71 IonicContact OD1-NH2 3.29Å; D68-R71 PolarHBondContact OD1-NH2 3.46Å
72Y28Very low30Very low188 Ų188103.3 Ų103.374%0.73753%0.528SS*.SBendtrans-143.372.1-174.1-126.5-96.2000113.4Y70 K277Y70-Y72 PolarHBondContact O-N 3.26Å; Y72-K277 PolarHBondContact OH-NZ 3.39Å
73R29Very low29.8Very low227 Ų227107 Ų10786%0.85756%0.562SS**SBendtrans-177.9-3.6145.7-105.9172-168.5-165.62.9117.4
74A27.5Very low29.6Very low63 Ų63108.4 Ų108.452%0.52158%0.577SS.*SBendtrans-133.683.7179.600000111.2
75S27.8Very low29.5Very low81 Ų81112.8 Ų112.857%0.56661%0.608SS**  trans159.371152.846.90000112.3
76D29.2Very low29.2Very low175 Ų175120.7 Ų120.794%0.93664%0.639SS**SBendtrans-125.955152.3-86.9-29.9000107.4
77E28.4Very low29Very low179 Ų179126.3 Ų126.384%0.83667%0.674SS**  trans-158.963.8172.5-111.2174.9-148.700109.6
78E32.3Very low28.5Very low158 Ų158132.8 Ų132.874%0.73871%0.706SS**  trans-98.587.2152.3-94.9-177.6-169.400107.4Q80 R609E78-Q80 PolarHBondContact O-N 3.23Å; E78-R609 IonicContact OE1-NH2 3.35Å; E78-R609 PolarHBondContact OE1-NH2 2.87Å
79T29.7Very low28.3Very low127 Ų127142.3 Ų142.378%0.77974%0.739SS**  trans-62106.9162.2390000109.8
80Q30.4Very low28Very low181 Ų181144.5 Ų144.585%0.84676%0.757SS**  trans-98.6127.8146.9-78.4-162.1-5.500108.8E78 G82E78-Q80 PolarHBondContact O-N 3.23Å; Q80-G82 PolarHBondContact O-N 2.88Å
81P28.7Very low27.9Very low139 Ų139145.1 Ų145.190%0.90378%0.78SS**  trans-81.7101.8174.731.2-28.6000109.2
82G28.4Very low27.8Very low65 Ų65143 Ų14367%0.6779%0.786SS**SBendtrans168.2104.3172.500000114Q80Q80-G82 PolarHBondContact O-N 2.88Å
83A26.8Very low28Very low104 Ų104135.9 Ų135.986%0.8677%0.765SS**  trans59.986.1163.200000117.3
84I27.4Very low28.9Very low159 Ų159126.3 Ų126.382%0.81573%0.733SS**  trans-117.894.3157-59.4177.5000108.5
85S26.5Very low29.8Very low105 Ų105128.3 Ų128.373%0.73474%0.736SS**  trans-95.9120.9154.5610000108.1
86Q24.3Very low31.1Very low189 Ų189127 Ų12788%0.88372%0.722SS**  trans46.295.5162.3-66.3-175.9-13.400117.3
87T27.6Very low32.3Very low127 Ų127122.3 Ų122.378%0.77970%0.697SS**  trans-144.2122.6150.37.90000111.4
88Q24.7Very low33.6Very low186 Ų186120.3 Ų120.387%0.86968%0.681SS**  trans-47.9133.8169.3-63.2160.7-49.200111.6
89R25Very low35Very low250 Ų250114.8 Ų114.894%0.94366%0.663SS**  trans-171.372.6143.1-100.8167-160.1-154.97.4108.5A91R89-A91 PolarHBondContact O-N 3.36Å
90S25.9Very low36.5Very low109 Ų109109.7 Ų109.776%0.76263%0.631SS**  trans-64.1116.2157.2540000107.2S92S90-S92 VanDerWaalsContact C-N 3.35Å; S90-S92 PolarHBondContact O-N 3.47Å
91A27.1Very low37.9Very low101 Ų101105.7 Ų105.784%0.83561%0.614SS**  trans-56107.9156.200000105.9R89 A93R89-A91 PolarHBondContact O-N 3.36Å; A91-A93 PolarHBondContact O-N 3.4Å
92S28.9Very low39.5Very low91 Ų91102.5 Ų102.564%0.63659%0.589SS**  trans-63107.6175.954.20000106.9S90 S94S90-S92 VanDerWaalsContact C-N 3.35Å; S90-S92 PolarHBondContact O-N 3.47Å; S92-S94 PolarHBondContact O-N 2.97Å
93A31.7Very low41.3Very low37 Ų37101.1 Ų101.131%0.30656%0.564SS.*  trans-42.3129.316300000107.7A91 D97 R98A91-A93 PolarHBondContact O-N 3.4Å; A93-D97 HydrophobicContact CB-CB 3.9Å; A93-R98 HydrophobicContact CB-CG 3.98Å; A93-R98 PolarHBondContact O-NE 3.31Å
94S47.7Very low43Very low26 Ų2699.3 Ų99.318%0.18254%0.54CS..  trans-60.3159.1179.768.90000110S92 L96 D97 R98S92-S94 PolarHBondContact O-N 2.97Å; S94-L96 PolarHBondContact O-N 3.49Å; S94-L96 VanDerWaalsContact O-N 3.14Å; S94-D97 WeakPolarHBondContact CB-OD2 2.96Å; S94-D97 PolarHBondContact N-OD2 3.43Å; S94-D97 WeakPolarHBondContact O-CA 3.35Å; S94-D97 WeakPolarHBondContact O-CB 3.26Å; S94-D97 PolarHBondContact O-N 2.94Å; S94-D97 PolarHBondContact OG-N 3.46Å; S94-D97 PolarHBondContact OG-OD2 2.86Å; S94-R98 PolarHBondContact O-N 3.1Å
95D48.3Very low44.4Very low106 Ų10694.8 Ų94.857%0.56752%0.519SS*.Hα-helixtrans-57-32.1179.8-59.5-50.3000111.8R98 A99D95-R98 PolarHBondContact O-N 3.45Å; D95-A99 WeakPolarHBondContact O-CB 3.42Å; D95-A99 PolarHBondContact O-N 3.32Å
96L53.6Low46Very low54 Ų5497 Ų9728%0.28351%0.511SS..Hα-helixtrans-64.6-45.1171.1-164.679.3000112.5S94 R98 A99 N100 V162S94-L96 PolarHBondContact O-N 3.49Å; S94-L96 VanDerWaalsContact O-N 3.14Å; L96-R98 VanDerWaalsContact C-N 3.31Å; L96-R98 PolarHBondContact O-N 2.89Å; L96-A99 PolarHBondContact O-N 3.17Å; L96-N100 WeakPolarHBondContact O-CB 3.42Å; L96-N100 PolarHBondContact O-N 3.41Å; L96-V162 HydrophobicContact CD1-CG1 4.35Å; L96-V162 HydrophobicContact CD2-CG2 4.38Å
97D54.8Low47.7Very low75 Ų7589.5 Ų89.540%0.40148%0.478SS..Hα-helixtrans-62.7-40.8176.1-61.3-46.7000110.9A93 S94 N100 I101A93-D97 HydrophobicContact CB-CB 3.9Å; S94-D97 WeakPolarHBondContact CB-OD2 2.96Å; S94-D97 PolarHBondContact N-OD2 3.43Å; S94-D97 WeakPolarHBondContact O-CA 3.35Å; S94-D97 WeakPolarHBondContact O-CB 3.26Å; S94-D97 PolarHBondContact O-N 2.94Å; S94-D97 PolarHBondContact OG-N 3.46Å; S94-D97 PolarHBondContact OG-OD2 2.86Å; D97-N100 PolarHBondContact O-N 2.9Å; D97-I101 WeakPolarHBondContact O-CB 3.45Å; D97-I101 WeakPolarHBondContact O-CD1 3.39Å; D97-I101 WeakPolarHBondContact O-CG1 3.28Å; D97-I101 PolarHBondContact O-N 2.66Å
98R56.5Low48.8Very low137 Ų13787.4 Ų87.452%0.51746%0.459SS..Hα-helixtrans-65.7-43.5176.5-69-179.1-174.6179.9-2.5111.9A93 S94 D95 L96 I101 D102A93-R98 HydrophobicContact CB-CG 3.98Å; A93-R98 PolarHBondContact O-NE 3.31Å; S94-R98 PolarHBondContact O-N 3.1Å; D95-R98 PolarHBondContact O-N 3.45Å; L96-R98 VanDerWaalsContact C-N 3.31Å; L96-R98 PolarHBondContact O-N 2.89Å; R98-I101 PolarHBondContact O-N 3.08Å; R98-D102 WeakPolarHBondContact O-CB 3.47Å; R98-D102 PolarHBondContact O-N 3.39Å
99A61.5Low49.8Very low42 Ų4283.7 Ų83.735%0.34744%0.444SS..Hα-helixtrans-63.7-42.8176.400000111.5D95 L96 D102 R103D95-A99 WeakPolarHBondContact O-CB 3.42Å; D95-A99 PolarHBondContact O-N 3.32Å; L96-A99 PolarHBondContact O-N 3.17Å; A99-D102 PolarHBondContact O-N 3.39Å; A99-R103 WeakPolarHBondContact O-CB 3.49Å; A99-R103 WeakPolarHBondContact O-CG 3.24Å; A99-R103 PolarHBondContact O-N 3.31Å
100N61Low50.6Low20 Ų2073.8 Ų73.811%0.10742%0.42CS..Hα-helixtrans-61.5-45.5174-82.9-24.1000111.5L96 D97 R103 L104 L161 F163L96-N100 WeakPolarHBondContact O-CB 3.42Å; L96-N100 PolarHBondContact O-N 3.41Å; D97-N100 PolarHBondContact O-N 2.9Å; N100-R103 PolarHBondContact O-N 3.1Å; N100-L104 WeakPolarHBondContact O-CB 3.48Å; N100-L104 VanDerWaalsContact O-CG 3.31Å; N100-L104 WeakPolarHBondContact O-CG 3.3Å; N100-L104 PolarHBondContact O-N 3.35Å; N100-L161 PolarHBondContact ND2-O 2.64Å; N100-L161 VanDerWaalsContact ND2-O 3.12Å; N100-F163 PolarHBondContact OD1-N 2.95Å; N100-F163 VanDerWaalsContact OD1-N 3.1Å
101I60.4Low51.1Low97 Ų9776.9 Ų76.950%0.49742%0.423SS..Hα-helixtrans-62.8-47.1176.5-70.5163.7000110.6D97 R98 R103 L104 V105D97-I101 WeakPolarHBondContact O-CB 3.45Å; D97-I101 WeakPolarHBondContact O-CD1 3.39Å; D97-I101 WeakPolarHBondContact O-CG1 3.28Å; D97-I101 PolarHBondContact O-N 2.66Å; R98-I101 PolarHBondContact O-N 3.08Å; I101-R103 PolarHBondContact O-N 3.2Å; I101-L104 PolarHBondContact O-N 2.89Å; I101-V105 HydrophobicContact CG2-CG2 4.35Å; I101-V105 WeakPolarHBondContact O-CB 3.45Å; I101-V105 VanDerWaalsContact O-CG2 3.24Å; I101-V105 WeakPolarHBondContact O-CG2 3.24Å; I101-V105 PolarHBondContact O-N 3.38Å
102D61.3Low51.2Low72 Ų7279.2 Ų79.239%0.38542%0.42SS..Hα-helixtrans-62.7-41.8179.7-169.760.2000111.5R98 A99 V105 R106R98-D102 WeakPolarHBondContact O-CB 3.47Å; R98-D102 PolarHBondContact O-N 3.39Å; A99-D102 PolarHBondContact O-N 3.39Å; D102-V105 WeakPolarHBondContact O-CB 3.45Å; D102-V105 PolarHBondContact O-N 2.92Å; D102-R106 WeakPolarHBondContact O-CG 3.37Å; D102-R106 PolarHBondContact O-N 3.16Å; D102-R106 IonicContact OD2-CZ 3.6Å; D102-R106 VanDerWaalsContact OD2-CZ 3.26Å; D102-R106 IonicContact OD2-NE 3.14Å; D102-R106 PolarHBondContact OD2-NE 3.36Å; D102-R106 IonicContact OD2-NH2 3.69Å; D102-R106 PolarHBondContact OD2-NH2 3.39Å
103R66.4Low51.2Low36 Ų3679.3 Ų79.314%0.13642%0.421CS..Hα-helixtrans-65-42.5174.4-76.6179.3169.3152.62112.4A99 N100 I101 V105 R106 L107 F163 E165 E230A99-R103 WeakPolarHBondContact O-CB 3.49Å; A99-R103 WeakPolarHBondContact O-CG 3.24Å; A99-R103 PolarHBondContact O-N 3.31Å; N100-R103 PolarHBondContact O-N 3.1Å; I101-R103 PolarHBondContact O-N 3.2Å; R103-V105 VanDerWaalsContact C-N 3.29Å; R103-V105 PolarHBondContact O-N 3.43Å; R103-R106 PolarHBondContact O-N 3.08Å; R103-L107 WeakPolarHBondContact O-CB 3.5Å; R103-L107 WeakPolarHBondContact O-CG 3.09Å; R103-L107 PolarHBondContact O-N 3.1Å; R103-F163 HydrophobicContact CB-CB 4.36Å; R103-F163 PolarHBondContact NH1-O 3.25Å; R103-E165 IonicContact CZ-OE1 3.51Å; R103-E165 IonicContact NE-OE1 3.51Å; R103-E165 PolarHBondContact NE-OE1 3.28Å; R103-E165 IonicContact NH2-OE1 2.69Å; R103-E165 PolarHBondContact NH2-OE1 2.76Å; R103-E165 VanDerWaalsContact NH2-OE1 3.14Å; R103-E230 IonicContact CZ-OE1 3.28Å; R103-E230 IonicContact CZ-OE2 2.74Å; R103-E230 IonicContact NH1-OE1 3.08Å; R103-E230 PolarHBondContact NH1-OE1 3.17Å; R103-E230 IonicContact NH1-OE2 3.19Å; R103-E230 VanDerWaalsContact NH2-CD 3.35Å; R103-E230 IonicContact NH2-OE1 3.28Å; R103-E230 PolarHBondContact NH2-OE1 3.21Å; R103-E230 IonicContact NH2-OE2 2.73Å; R103-E230 PolarHBondContact NH2-OE2 2.87Å
104L62.2Low50.9Low67 Ų6783.5 Ų83.535%0.35145%0.448SS..Hα-helixtrans-59.9-40.8172.7-81.7164.5000111.3N100 I101 L107 H108 F145 F163N100-L104 WeakPolarHBondContact O-CB 3.48Å; N100-L104 VanDerWaalsContact O-CG 3.31Å; N100-L104 WeakPolarHBondContact O-CG 3.3Å; N100-L104 PolarHBondContact O-N 3.35Å; I101-L104 PolarHBondContact O-N 2.89Å; L104-L107 PolarHBondContact O-N 3.41Å; L104-H108 WeakPolarHBondContact O-CB 3.36Å; L104-H108 PolarHBondContact O-N 3.07Å; L104-F145 HydrophobicContact CD2-CE2 4.29Å; L104-F145 HydrophobicContact CD2-CZ 4.19Å; L104-F163 HydrophobicContact CD1-CE2 4.03Å; L104-F163 HydrophobicContact CD2-CE1 4.5Å; L104-F163 HydrophobicContact CD2-CE2 3.78Å; L104-F163 HydrophobicContact CD2-CZ 3.76Å; L104-F163 HydrophobicContact CG-CD2 4.22Å; L104-F163 HydrophobicContact CG-CE2 3.84Å; L104-F163 HydrophobicContact CG-CZ 4.32Å
105V58Low50Low64 Ų6486.8 Ų86.839%0.38847%0.471SS..Hα-helixtrans-65.1-43.4175.6169.70000111.1I101 D102 R103 L107 H108 L109I101-V105 HydrophobicContact CG2-CG2 4.35Å; I101-V105 WeakPolarHBondContact O-CB 3.45Å; I101-V105 VanDerWaalsContact O-CG2 3.24Å; I101-V105 WeakPolarHBondContact O-CG2 3.24Å; I101-V105 PolarHBondContact O-N 3.38Å; D102-V105 WeakPolarHBondContact O-CB 3.45Å; D102-V105 PolarHBondContact O-N 2.92Å; R103-V105 VanDerWaalsContact C-N 3.29Å; R103-V105 PolarHBondContact O-N 3.43Å; V105-L107 PolarHBondContact O-N 3.33Å; V105-H108 PolarHBondContact O-N 3.46Å; V105-H108 VanDerWaalsContact O-N 3.16Å; V105-L109 HydrophobicContact CG1-CD1 3.65Å; V105-L109 HydrophobicContact CG1-CG 4.23Å; V105-L109 WeakPolarHBondContact O-CB 3.43Å; V105-L109 WeakPolarHBondContact O-CG 3.33Å; V105-L109 PolarHBondContact O-N 2.87Å
106R59.5Low49.1Very low150 Ų15086.5 Ų86.557%0.56648%0.477SS*.Hα-helixtrans-62.5-41.6174.7-69.5-177.4-149.1-176.16.6112.2D102 R103 H108 L109 G110D102-R106 WeakPolarHBondContact O-CG 3.37Å; D102-R106 PolarHBondContact O-N 3.16Å; D102-R106 IonicContact OD2-CZ 3.6Å; D102-R106 VanDerWaalsContact OD2-CZ 3.26Å; D102-R106 IonicContact OD2-NE 3.14Å; D102-R106 PolarHBondContact OD2-NE 3.36Å; D102-R106 IonicContact OD2-NH2 3.69Å; D102-R106 PolarHBondContact OD2-NH2 3.39Å; R103-R106 PolarHBondContact O-N 3.08Å; R106-H108 VanDerWaalsContact C-N 3.3Å; R106-H108 PolarHBondContact O-N 3.03Å; R106-L109 PolarHBondContact O-N 3.04Å; R106-G110 PolarHBondContact O-N 3.06Å
107L59Low48Very low33 Ų3391.4 Ų91.417%0.17350%0.504CS..Hα-helixtrans-60.4-41.9173.3-76.2167.6000110.8R103 L104 V105 R143 F163R103-L107 WeakPolarHBondContact O-CB 3.5Å; R103-L107 WeakPolarHBondContact O-CG 3.09Å; R103-L107 PolarHBondContact O-N 3.1Å; L104-L107 PolarHBondContact O-N 3.41Å; V105-L107 PolarHBondContact O-N 3.33Å; L107-R143 VanDerWaalsContact C-NH1 3.32Å; L107-R143 PolarHBondContact O-NH1 2.97Å; L107-R143 PolarHBondContact O-NH2 3.22Å; L107-F163 HydrophobicContact CD1-CD1 4.29Å; L107-F163 HydrophobicContact CD1-CE1 4.4Å
108H51.8Low46.8Very low83 Ų8396 Ų9638%0.38452%0.523SS..Hα-helixtrans-70.5-38.5-179.6-168.775000113.3L104 V105 R106 G110L104-H108 WeakPolarHBondContact O-CB 3.36Å; L104-H108 PolarHBondContact O-N 3.07Å; V105-H108 PolarHBondContact O-N 3.46Å; V105-H108 VanDerWaalsContact O-N 3.16Å; R106-H108 VanDerWaalsContact C-N 3.3Å; R106-H108 PolarHBondContact O-N 3.03Å; H108-G110 VanDerWaalsContact C-N 3.32Å
109L46.2Very low45.7Very low107 Ų10797.2 Ų97.256%0.5654%0.54SS*.Hα-helixtrans-87.62.3-177.7-66.2177.3000114.4V105 R106V105-L109 HydrophobicContact CG1-CD1 3.65Å; V105-L109 HydrophobicContact CG1-CG 4.23Å; V105-L109 WeakPolarHBondContact O-CB 3.43Å; V105-L109 WeakPolarHBondContact O-CG 3.33Å; V105-L109 PolarHBondContact O-N 2.87Å; R106-L109 PolarHBondContact O-N 3.04Å
110G41.2Very low44.2Very low43 Ų4399.1 Ų99.144%0.44356%0.563SS.*THydrogen-bonded Turntrans1797.5176.600000115.3R106 H108 L112R106-G110 PolarHBondContact O-N 3.06Å; H108-G110 VanDerWaalsContact C-N 3.32Å; G110-L112 PolarHBondContact O-N 3.46Å
111E36.2Very low42.8Very low174 Ų174101.5 Ų101.581%0.81359%0.592SS**THydrogen-bonded Turntrans2.470.8175.3-71.5-170.9158.100114.2S113E111-S113 PolarHBondContact O-N 2.93Å
112L29.8Very low41.6Very low149 Ų149103.1 Ų103.178%0.7861%0.609SS**  trans-72.192.3170.6-87.4162.2000107G110G110-L112 PolarHBondContact O-N 3.46Å
113S27.4Very low40.3Very low94 Ų94107.4 Ų107.466%0.65763%0.632SS**  trans53.499.4154.763.60000117.4E111E111-S113 PolarHBondContact O-N 2.93Å
114S26.5Very low38.7Very low125 Ų125109 Ų10987%0.87465%0.653SS**  trans-10452.3139.957.30000110.3S116S114-S116 PolarHBondContact O-N 2.85Å
115S28.4Very low37.3Very low95 Ų95117 Ų11766%0.66468%0.678SS**  trans-90.881.3154.852.90000107.9N117S115-N117 PolarHBondContact O-N 3Å
116S30.3Very low35.9Very low99 Ų99123.5 Ų123.569%0.69270%0.701SS**  trans-64.693.6160.9450000107.7S114 Q118S114-S116 PolarHBondContact O-N 2.85Å; S116-Q118 PolarHBondContact O-N 2.98Å
117N30.8Very low34.8Very low158 Ų158122.5 Ų122.585%0.84571%0.714SS**  trans-62.188.1159.7-102.5-10.7000107.5S115 N119S115-N117 PolarHBondContact O-N 3Å; N117-N119 PolarHBondContact O-N 3.26Å
118Q29Very low33.5Very low172 Ų172130.6 Ų130.680%0.80475%0.751SS**  trans-72.585.7158.3-70.6-170.40.900107.3S116S116-Q118 PolarHBondContact O-N 2.98Å
119N33.5Very low32.6Very low162 Ų162130.3 Ų130.387%0.86677%0.77SS**  trans-169.779.2157.7-91.9-24.5000107.9N117N117-N119 PolarHBondContact O-N 3.26Å
120G30.1Very low31.9Very low81 Ų81128.1 Ų128.184%0.83577%0.774SS**  trans-117.880.5173.400000110.2
121G31.4Very low31.7Very low70 Ų70132.6 Ų132.672%0.72280%0.795SS**  trans-82.6134.4155.700000108.4D123G121-D123 PolarHBondContact O-N 3.28Å
122P34.4Very low31.8Very low132 Ų132132 Ų13286%0.85780%0.797SS**  trans-87.1110.2-164.732.9-30.6000110.9
123D34.1Very low31.8Very low162 Ų162128.2 Ų128.287%0.86680%0.795SS**  trans-157.9146.3149.4-143.2-17.1000112.7G121G121-D123 PolarHBondContact O-N 3.28Å
124A32.2Very low31.7Very low68 Ų68131.5 Ų131.556%0.56280%0.804SS**  trans77.199.9161.100000121
125R33.6Very low32.1Very low237 Ų237131 Ų13189%0.89480%0.798SS**  trans82.999.9131.9-57.8175.7-148.9-168.76.6118.7
126K29Very low32.6Very low200 Ų200134.7 Ų134.787%0.8781%0.809SS**PPolyproline II helixtrans-63.7134.3156.5-76179.9173.7179.70110.8
127P36.5Very low32.9Very low129 Ų129138.4 Ų138.484%0.83882%0.815SS**PPolyproline II helixtrans-78.2125.8158.38.96.4000109.6
128Q32.2Very low33.2Very low203 Ų203139.3 Ų139.395%0.94981%0.812SS**PPolyproline II helixtrans-76.3120.7165-69.8179.5-2.800108.5
129G32.8Very low33.6Very low76 Ų76137.8 Ų137.878%0.78481%0.805SS**  trans-134.8123.516900000108.4
130G30.2Very low33.8Very low61 Ų61139.3 Ų139.363%0.62980%0.799SS**  trans-66.1170.4-164.800000116.5N132G130-N132 PolarHBondContact O-N 2.85Å
131P36.6Very low34.2Very low138 Ų138137.1 Ų137.190%0.89677%0.77SS**THydrogen-bonded Turntrans-79.232.2-162.432.8-36.3000116.1
132N39Very low34.7Very low161 Ų161139.4 Ų139.486%0.86176%0.764SS**THydrogen-bonded Turntrans-120.316.4177.4-81.5-7.8000114.3G130 L134G130-N132 PolarHBondContact O-N 2.85Å; N132-L134 PolarHBondContact O-N 3.26Å
133G29.6Very low35.5Very low70 Ų70135.6 Ų135.672%0.72273%0.733SS**  trans-80.794.7173.800000111.5
134L26.1Very low36.2Very low163 Ų163130.5 Ų130.585%0.85371%0.71SS**  trans-50.9133.2160.9-83.6155.5000108.4N132 L136N132-L134 PolarHBondContact O-N 3.26Å; L134-L136 PolarHBondContact O-N 2.91Å
135P34.9Very low37.1Very low115 Ų115131.2 Ų131.275%0.74770%0.7SS**  trans-59.3134.7174.714.4-12.9000108.2E137P135-E137 PolarHBondContact O-N 3.13Å; P135-E137 VanDerWaalsContact O-N 3.1Å
136L39.3Very low38Very low172 Ų172128.2 Ų128.290%0.90169%0.69SS**  trans-27.9116171.6-86.5136.1000110L134 K138L134-L136 PolarHBondContact O-N 2.91Å; L136-K138 PolarHBondContact O-N 2.94Å
137E34.9Very low38.9Very low176 Ų176120.4 Ų120.482%0.82266%0.66SS**  trans-42.9120.7170.2-86.1179.5146.800107.5P135 Q139P135-E137 PolarHBondContact O-N 3.13Å; P135-E137 VanDerWaalsContact O-N 3.1Å; E137-Q139 PolarHBondContact O-N 2.6Å
138K38Very low39.5Very low177 Ų177117.4 Ų117.477%0.7764%0.642SS**  trans-59.793.3164.9-78.4-176.2175.9-177.50105.7L136 W140L136-K138 PolarHBondContact O-N 2.94Å; K138-W140 PolarHBondContact O-N 3.07Å
139Q37Very low40.4Very low140 Ų140109.9 Ų109.965%0.65461%0.608SS**  trans-62.3107.1168.3-82-175-28.300106.2E137 C141E137-Q139 PolarHBondContact O-N 2.6Å; Q139-C141 PolarHBondContact O-N 3.46Å
140W37.5Very low41.1Very low195 Ų195111.9 Ų111.974%0.73961%0.608SS**  trans-70.199.2171.5-64.190.9000107.3K138 I142K138-W140 PolarHBondContact O-N 3.07Å; W140-I142 PolarHBondContact O-N 2.69Å
141C38.6Very low42.2Very low35 Ų35120.3 Ų120.324%0.23662%0.62CS.*  trans-73110165.7-750000108Q139 R143Q139-C141 PolarHBondContact O-N 3.46Å; C141-R143 PolarHBondContact O-N 3.28Å
142I43.1Very low43.2Very low117 Ų117116.4 Ų116.460%0.659%0.591SS**  trans-76.5109.6167.6-59.6-179.8000106.7W140 W206W140-I142 PolarHBondContact O-N 2.69Å; I142-W206 HydrophobicContact CD1-CZ3 3.94Å
143R50.8Low44.3Very low52 Ų52118.6 Ų118.620%0.19659%0.587CS.*BIsolated β-bridgetrans-85115.3170.7-66.7-175.8175.2170.61.7109L107 C141 F145 E209L107-R143 VanDerWaalsContact C-NH1 3.32Å; L107-R143 PolarHBondContact O-NH1 2.97Å; L107-R143 PolarHBondContact O-NH2 3.22Å; C141-R143 PolarHBondContact O-N 3.28Å; R143-F145 HydrophobicContact CB-CE2 4.07Å; R143-F145 PolarHBondContact O-N 2.99Å; R143-E209 WeakPolarHBondContact CD-OE2 3.27Å; R143-E209 HydrophobicContact CG-CB 4.33Å; R143-E209 IonicContact CZ-OE2 3.35Å; R143-E209 IonicContact NE-OE2 3.21Å; R143-E209 PolarHBondContact NE-OE2 3.3Å; R143-E209 IonicContact NH2-OE2 2.98Å; R143-E209 PolarHBondContact NH2-OE2 3.36Å
144S47.8Very low46.3Very low55 Ų55116 Ų11639%0.38556%0.557SS.*  trans-85.6108.3171.645.80000110.1Y146S144-Y146 VanDerWaalsContact C-N 3.35Å; S144-Y146 PolarHBondContact O-N 3.19Å; S144-Y146 VanDerWaalsContact O-N 3.1Å
145F52.7Low48.4Very low83 Ų83115.3 Ų115.336%0.36455%0.551SS.*  trans-78.886.3167.4-61.6-99.3000108L104 R143 F163 L211L104-F145 HydrophobicContact CD2-CE2 4.29Å; L104-F145 HydrophobicContact CD2-CZ 4.19Å; R143-F145 HydrophobicContact CB-CE2 4.07Å; R143-F145 PolarHBondContact O-N 2.99Å; F145-F163 HydrophobicContact CD1-CE1 4.38Å; F145-F163 HydrophobicContact CD1-CZ 4.43Å; F145-F163 AromaticContact CE1-CE1 3.85Å; F145-F163 HydrophobicContact CE1-CE1 3.85Å; F145-F163 HydrophobicContact CE1-CZ 4.08Å; F145-F163 HydrophobicContact CZ-CE1 4.34Å; F145-F163 HydrophobicContact CZ-CZ 4.28Å; F145-L211 HydrophobicContact CB-CD1 4.18Å; F145-L211 HydrophobicContact CD1-CD1 3.15Å; F145-L211 HydrophobicContact CE1-CD1 3.56Å; F145-L211 HydrophobicContact CG-CD1 3.76Å; F145-L211 HydrophobicContact CZ-CD1 4.46Å
146Y50.7Low50Low175 Ų175110.9 Ų110.969%0.68652%0.52SS*.  trans-97.4113-178.9-165.5-110.2000110.9S144S144-Y146 VanDerWaalsContact C-N 3.35Å; S144-Y146 PolarHBondContact O-N 3.19Å; S144-Y146 VanDerWaalsContact O-N 3.1Å
147C49.2Very low51.6Low35 Ų35108.4 Ų108.424%0.23651%0.512CS..  trans-102.6100.9160.4-169.70000107.6L149 R180C147-L149 PolarHBondContact O-N 3.07Å; C147-R180 PolarHBondContact SG-NH2 3.45Å
148S48.6Very low53.4Low66 Ų66102 Ų10246%0.46248%0.482SS..  trans-69.5125.9176.692.70000109.7P150S148-P150 WeakPolarHBondContact O-CD 3.09Å
149L51.5Low54.8Low45 Ų45100.3 Ų100.324%0.23648%0.482CS..  trans-119.180.5174.3-68.3173.8000109.2C147 R151 M152 R180C147-L149 PolarHBondContact O-N 3.07Å; L149-R151 PolarHBondContact O-N 3.2Å; L149-M152 HydrophobicContact CB-CE 3.89Å; L149-M152 HydrophobicContact CD1-CE 3.17Å; L149-M152 HydrophobicContact CG-CE 4.07Å; L149-M152 PolarHBondContact O-N 3.2Å; L149-R180 HydrophobicContact CD2-CB 3.76Å
150P48Very low56.5Low118 Ų11894.1 Ų94.177%0.76645%0.454SS*.THydrogen-bonded Turntrans-67.72.8-165.623.8-33.5000115.8S148S148-P150 WeakPolarHBondContact O-CD 3.09Å
151R52.4Low58.5Low238 Ų23887.3 Ų87.390%0.89843%0.431SS*.THydrogen-bonded Turntrans-121.74.3-174.6-68.2-172.2179.1176.20.8115L149L149-R151 PolarHBondContact O-N 3.2Å
152M57Low60.5Low57 Ų5785.9 Ų85.928%0.28142%0.422SS..  trans-89.1124.7178.2-72.2-147.5-116.800111.7L149 I154 R179L149-M152 HydrophobicContact CB-CE 3.89Å; L149-M152 HydrophobicContact CD1-CE 3.17Å; L149-M152 HydrophobicContact CG-CE 4.07Å; L149-M152 PolarHBondContact O-N 3.2Å; M152-I154 VanDerWaalsContact C-N 3.29Å; M152-R179 HydrophobicContact CE-CB 3.76Å; M152-R179 HydrophobicContact SD-CB 3.53Å; M152-R179 VanDerWaalsContact SD-CB 3.53Å
153R63.8Low62.5Low206 Ų20680.6 Ų80.678%0.77739%0.394SS*.SBendtrans-68.3-32.4170-68.4-172.2-172.5-166.31.9112
154I70.5Confident64.2Low17 Ų1778.6 Ų78.69%0.08739%0.388CS..SBendtrans-136.1128.7-175.4-64.4-179.1000108.4M152 T461 R539 Y540M152-I154 VanDerWaalsContact C-N 3.29Å; I154-T461 HydrophobicContact CB-CG2 4.48Å; I154-T461 HydrophobicContact CD1-CG2 3.98Å; I154-T461 HydrophobicContact CG1-CG2 4.29Å; I154-R539 HydrophobicContact CB-CG 4.32Å; I154-R539 HydrophobicContact CD1-CG 4.21Å; I154-R539 VanDerWaalsContact CD1-O 3.23Å; I154-R539 WeakPolarHBondContact CD1-O 3.35Å; I154-R539 HydrophobicContact CG1-CG 4.18Å; I154-R539 VanDerWaalsContact CG1-O 3.24Å; I154-R539 WeakPolarHBondContact CG1-O 3.32Å; I154-R539 HydrophobicContact CG2-CG 3.36Å; I154-Y540 HydrophobicContact CD1-CD1 3.43Å; I154-Y540 VanDerWaalsContact CD1-CD1 3.43Å; I154-Y540 HydrophobicContact CD1-CE1 3.58Å; I154-Y540 HydrophobicContact CD1-CG 4.33Å
155M71.1Confident65.9Low148 Ų14880.7 Ų80.773%0.72939%0.391SS*.PPolyproline II helixtrans-97.5116.4170.3-172.6172.771.300109.4
156E67.4Low67.3Low21 Ų2179.2 Ų79.210%0.09839%0.39CS..PPolyproline II helixtrans-89.3128.6171-71.5-160.5137.900110.8R179 R275E156-R179 VanDerWaalsContact CD-CZ 3.48Å; E156-R179 IonicContact OE1-NH1 2.67Å; E156-R179 IonicContact OE2-CZ 3.27Å; E156-R179 IonicContact OE2-NE 2.87Å; E156-R179 PolarHBondContact OE2-NE 3.43Å; E156-R179 IonicContact OE2-NH1 2.84Å; E156-R179 PolarHBondContact OE2-NH1 2.94Å; E156-R179 VanDerWaalsContact OE2-NH1 3.14Å; E156-R179 IonicContact OE2-NH2 4Å; E156-R179 PolarHBondContact OE2-NH2 3.31Å; E156-R275 IonicContact OE1-CZ 2.8Å; E156-R275 IonicContact OE1-NH1 2.98Å; E156-R275 PolarHBondContact OE1-NH1 3.11Å; E156-R275 IonicContact OE1-NH2 2.58Å; E156-R275 PolarHBondContact OE1-NH2 3.12Å; E156-R275 IonicContact OE2-CZ 3.31Å; E156-R275 IonicContact OE2-NH1 2.89Å; E156-R275 PolarHBondContact OE2-NH1 2.93Å; E156-R275 IonicContact OE2-NH2 2.9Å; E156-R275 PolarHBondContact OE2-NH2 3.44Å
157V74.1Confident68.6Low120 Ų12074.1 Ų74.173%0.72738%0.377SS*.PPolyproline II helixtrans-79.9135.6174.2-176.40000109.5
158H72.7Confident70Confident42 Ų4278.1 Ų78.119%0.19439%0.39CS..  trans-137.1163.2-179.256.569.1000111.3S160 W176 L177H158-S160 VanDerWaalsContact C-N 3.3Å; H158-S160 WeakPolarHBondContact ND1-CB 3.32Å; H158-S160 PolarHBondContact ND1-N 2.84Å; H158-W176 AromaticContact CE1-CD2 3.77Å; H158-W176 AromaticContact CE1-CE2 3.55Å; H158-W176 AromaticContact CE1-CE3 3.9Å; H158-W176 AromaticContact CE1-CH2 3.74Å; H158-W176 AromaticContact CE1-CZ2 3.55Å; H158-W176 AromaticContact CE1-CZ3 3.91Å; H158-W176 AromaticContact NE2-CE2 3.63Å; H158-W176 AromaticContact NE2-CZ2 3.57Å; H158-W176 AromaticContact NE2-NE1 3.89Å; H158-L177 VanDerWaalsContact CD2-CD2 3.44Å; H158-L177 WeakPolarHBondContact CD2-CD2 3.45Å; H158-L177 PolarHBondContact CE1-O 3.13Å; H158-L177 PolarHBondContact NE2-O 3.05Å
159N66.9Low71.2Confident142 Ų14283 Ų8376%0.75940%0.403SS*.SBendtrans-89.25.1177.8-58.9-37.6000113.3L161N159-L161 PolarHBondContact O-N 3.4Å
160S73.1Confident72.5Confident10 Ų1088 Ų887%0.0743%0.425CS..  trans-8365.1-172.9-54.90000114H158 L177 W224H158-S160 VanDerWaalsContact C-N 3.3Å; H158-S160 WeakPolarHBondContact ND1-CB 3.32Å; H158-S160 PolarHBondContact ND1-N 2.84Å; S160-L177 PolarHBondContact O-N 3.23Å; S160-W224 PolarHBondContact OG-O 3.13Å
161L79.3Confident74.1Confident52 Ų5282.5 Ų82.527%0.27239%0.39SS..EExtended strand (participates in β ladder)trans-127119.7170175.460.5000109.9N100 N159 F163 F174 I175 W176N100-L161 PolarHBondContact ND2-O 2.64Å; N100-L161 VanDerWaalsContact ND2-O 3.12Å; N159-L161 PolarHBondContact O-N 3.4Å; L161-F163 HydrophobicContact CD1-CE2 4.21Å; L161-F163 HydrophobicContact CD1-CZ 4.32Å; L161-F163 HydrophobicContact CD2-CE2 3.75Å; L161-F163 HydrophobicContact CD2-CZ 4.16Å; L161-F163 HydrophobicContact CG-CD2 4.45Å; L161-F163 HydrophobicContact CG-CE2 4.02Å; L161-F174 HydrophobicContact CD1-CB 4.11Å; L161-F174 HydrophobicContact CD1-CD2 3.8Å; L161-F174 HydrophobicContact CD1-CG 4.26Å; L161-I175 WeakPolarHBondContact CA-O 3.44Å; L161-W176 HydrophobicContact CB-CE3 3.69Å; L161-W176 HydrophobicContact CB-CZ3 3.75Å; L161-W176 HydrophobicContact CD1-CE3 3.62Å; L161-W176 HydrophobicContact CD1-CZ3 4.19Å; L161-W176 HydrophobicContact CD2-CE3 4.26Å; L161-W176 HydrophobicContact CD2-CZ3 3.96Å; L161-W176 HydrophobicContact CG-CE3 4.01Å; L161-W176 HydrophobicContact CG-CZ3 4.15Å
162V80.7Confident75.6Confident5 Ų571.2 Ų71.23%0.0335%0.347CS..EExtended strand (participates in β ladder)trans-128.8118176.6-174.40000109.1L96 L164 F174 I175 V228L96-V162 HydrophobicContact CD1-CG1 4.35Å; L96-V162 HydrophobicContact CD2-CG2 4.38Å; V162-L164 HydrophobicContact CG1-CD2 4.2Å; V162-F174 CarbonylContact O-C 3.58Å; V162-F174 WeakPolarHBondContact O-CA 3.29Å; V162-F174 WeakPolarHBondContact O-CB 3.34Å; V162-I175 HydrophobicContact CB-CB 4.41Å; V162-I175 PolarHBondContact N-O 3.16Å; V162-I175 PolarHBondContact O-N 2.8Å; V162-V228 HydrophobicContact CB-CG2 4.28Å; V162-V228 HydrophobicContact CG1-CB 4.5Å; V162-V228 HydrophobicContact CG1-CG2 3.93Å; V162-V228 HydrophobicContact CG2-CG2 4.07Å
163F84.4Confident77Confident6 Ų671.3 Ų71.33%0.02634%0.344CS..EExtended strand (participates in β ladder)trans-79.5135.1171.6-73.7-82.8000109.7N100 R103 L104 L107 F145 L161 F174N100-F163 PolarHBondContact OD1-N 2.95Å; N100-F163 VanDerWaalsContact OD1-N 3.1Å; R103-F163 HydrophobicContact CB-CB 4.36Å; R103-F163 PolarHBondContact NH1-O 3.25Å; L104-F163 HydrophobicContact CD1-CE2 4.03Å; L104-F163 HydrophobicContact CD2-CE1 4.5Å; L104-F163 HydrophobicContact CD2-CE2 3.78Å; L104-F163 HydrophobicContact CD2-CZ 3.76Å; L104-F163 HydrophobicContact CG-CD2 4.22Å; L104-F163 HydrophobicContact CG-CE2 3.84Å; L104-F163 HydrophobicContact CG-CZ 4.32Å; L107-F163 HydrophobicContact CD1-CD1 4.29Å; L107-F163 HydrophobicContact CD1-CE1 4.4Å; F145-F163 HydrophobicContact CD1-CE1 4.38Å; F145-F163 HydrophobicContact CD1-CZ 4.43Å; F145-F163 AromaticContact CE1-CE1 3.85Å; F145-F163 HydrophobicContact CE1-CE1 3.85Å; F145-F163 HydrophobicContact CE1-CZ 4.08Å; F145-F163 HydrophobicContact CZ-CE1 4.34Å; F145-F163 HydrophobicContact CZ-CZ 4.28Å; L161-F163 HydrophobicContact CD1-CE2 4.21Å; L161-F163 HydrophobicContact CD1-CZ 4.32Å; L161-F163 HydrophobicContact CD2-CE2 3.75Å; L161-F163 HydrophobicContact CD2-CZ 4.16Å; L161-F163 HydrophobicContact CG-CD2 4.45Å; L161-F163 HydrophobicContact CG-CE2 4.02Å; F163-F174 HydrophobicContact CD1-CB 3.87Å; F163-F174 HydrophobicContact CE1-CB 4.16Å; F163-F174 HydrophobicContact CE1-CD1 4.37Å; F163-F174 HydrophobicContact CE1-CG 4.4Å; F163-F174 HydrophobicContact CG-CB 4.4Å
164L85.4Confident78.2Confident10 Ų1062.4 Ų62.45%0.05231%0.311CS..EExtended strand (participates in β ladder)trans-110.4170.1174-53.7178.4000109.8V162 R173 I175 L188 V228 E230 Y254V162-L164 HydrophobicContact CG1-CD2 4.2Å; L164-R173 HydrophobicContact CB-CB 4.31Å; L164-R173 HydrophobicContact CB-CG 3.89Å; L164-R173 HydrophobicContact CD1-CG 4.08Å; L164-R173 HydrophobicContact CG-CG 4.42Å; L164-R173 PolarHBondContact N-O 2.68Å; L164-I175 HydrophobicContact CD1-CD1 3.95Å; L164-I175 HydrophobicContact CD1-CG1 4.02Å; L164-I175 HydrophobicContact CD2-CD1 4.22Å; L164-I175 HydrophobicContact CG-CD1 4.35Å; L164-I175 HydrophobicContact CG-CG1 4.48Å; L164-L188 HydrophobicContact CD1-CD1 3.65Å; L164-V228 HydrophobicContact CD2-CG1 4.07Å; L164-E230 HydrophobicContact CD2-CG 4.16Å; L164-Y254 HydrophobicContact CD1-CE2 4.33Å
165E83.6Confident78.9Confident98 Ų9861.6 Ų61.646%0.45831%0.307SS..  trans-59.7128.7171.4-69-55.6141.700111.2R103R103-E165 IonicContact CZ-OE1 3.51Å; R103-E165 IonicContact NE-OE1 3.51Å; R103-E165 PolarHBondContact NE-OE1 3.28Å; R103-E165 IonicContact NH2-OE1 2.69Å; R103-E165 PolarHBondContact NH2-OE1 2.76Å; R103-E165 VanDerWaalsContact NH2-OE1 3.14Å
166P83.3Confident79.5Confident52 Ų5258.1 Ų58.134%0.33829%0.286SS..  trans-62.5145.3177.7-21.932.4000112.8S171P166-S171 WeakPolarHBondContact CB-O 3.4Å; P166-S171 WeakPolarHBondContact CB-OG 3.46Å; P166-S171 WeakPolarHBondContact CG-O 3.45Å
167V78.2Confident80Confident69 Ų6957.7 Ų57.742%0.41828%0.284SS..SBendtrans-75.9-34.4173.3-171.50000111.6
168F77.4Confident80.1Confident118 Ų11852.1 Ų52.152%0.51825%0.251SS..SBendtrans-124.3153.9-174.2-47.7-70.9000111.4S171F168-S171 PolarHBondContact N-OG 3.24Å; F168-S171 VanDerWaalsContact N-OG 3.17Å; F168-S171 PolarHBondContact O-N 3.1Å; F168-S171 PolarHBondContact O-OG 2.85Å
169K75.5Confident80.2Confident169 Ų16951 Ų5174%0.73525%0.245SC*.THydrogen-bonded Turntrans-60.5141.8167.7-71.4-168.3173.5-163.30109.5S171K169-S171 PolarHBondContact O-N 2.91Å
170H77.5Confident80.5Confident150 Ų15048.7 Ų48.769%0.69423%0.225SC*.THydrogen-bonded Turntrans58.531.2-176.5-51.2-68.5000114.7L193H170-L193 WeakPolarHBondContact O-CB 3.46Å; H170-L193 PolarHBondContact O-N 2.76Å
171S82.1Confident80.6Confident3 Ų351.5 Ų51.52%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-119.1165.8170.670.20000111.4P166 F168 K169 A191P166-S171 WeakPolarHBondContact CB-O 3.4Å; P166-S171 WeakPolarHBondContact CB-OG 3.46Å; P166-S171 WeakPolarHBondContact CG-O 3.45Å; F168-S171 PolarHBondContact N-OG 3.24Å; F168-S171 VanDerWaalsContact N-OG 3.17Å; F168-S171 PolarHBondContact O-N 3.1Å; F168-S171 PolarHBondContact O-OG 2.85Å; K169-S171 PolarHBondContact O-N 2.91Å; S171-A191 CarbonylContact C-O 3.59Å; S171-A191 WeakPolarHBondContact CA-O 3.43Å; S171-A191 VanDerWaalsContact CB-O 3.25Å; S171-A191 WeakPolarHBondContact CB-O 3.33Å
172A84.2Confident80.4Confident1 Ų150 Ų501%0.00824%0.24CC..EExtended strand (participates in β ladder)trans-122.6135.716600000108.9F174 A191 L211A172-F174 HydrophobicContact CB-CD1 4.33Å; A172-A191 PolarHBondContact N-O 3.28Å; A172-A191 PolarHBondContact O-N 3.04Å; A172-L211 HydrophobicContact CB-CD2 4.15Å
173R86.8Confident80.1Confident58 Ų5855 Ų5522%0.21926%0.261CS..EExtended strand (participates in β ladder)trans-112.8130.6167.5179.4175-94-169-11.3108.6L164 L188 I189 D190L164-R173 HydrophobicContact CB-CB 4.31Å; L164-R173 HydrophobicContact CB-CG 3.89Å; L164-R173 HydrophobicContact CD1-CG 4.08Å; L164-R173 HydrophobicContact CG-CG 4.42Å; L164-R173 PolarHBondContact N-O 2.68Å; R173-L188 HydrophobicContact CG-CD1 3.8Å; R173-I189 CarbonylContact C-O 3.47Å; R173-I189 WeakPolarHBondContact CA-O 3.42Å; R173-D190 VanDerWaalsContact CB-OD1 3.29Å; R173-D190 WeakPolarHBondContact CB-OD1 3.3Å; R173-D190 WeakPolarHBondContact CG-OD1 3.48Å; R173-D190 IonicContact CZ-OD1 2.99Å; R173-D190 IonicContact CZ-OD2 3.52Å; R173-D190 IonicContact NE-OD1 3.31Å; R173-D190 PolarHBondContact NE-OD1 2.82Å; R173-D190 IonicContact NE-OD2 3.39Å; R173-D190 PolarHBondContact NE-OD2 2.82Å; R173-D190 IonicContact NH2-OD1 3.78Å; R173-D190 IonicContact NH2-OD2 2.77Å; R173-D190 PolarHBondContact NH2-OD2 2.88Å
174F87.6Confident79.7Confident19 Ų1954.9 Ų54.98%0.08326%0.261CS..EExtended strand (participates in β ladder)trans-152.7155.6179.157.9-84000112.2L161 V162 F163 A172 W176 I189 A191L161-F174 HydrophobicContact CD1-CB 4.11Å; L161-F174 HydrophobicContact CD1-CD2 3.8Å; L161-F174 HydrophobicContact CD1-CG 4.26Å; V162-F174 CarbonylContact O-C 3.58Å; V162-F174 WeakPolarHBondContact O-CA 3.29Å; V162-F174 WeakPolarHBondContact O-CB 3.34Å; F163-F174 HydrophobicContact CD1-CB 3.87Å; F163-F174 HydrophobicContact CE1-CB 4.16Å; F163-F174 HydrophobicContact CE1-CD1 4.37Å; F163-F174 HydrophobicContact CE1-CG 4.4Å; F163-F174 HydrophobicContact CG-CB 4.4Å; A172-F174 HydrophobicContact CB-CD1 4.33Å; F174-W176 HydrophobicContact CD2-CB 3.99Å; F174-W176 HydrophobicContact CE2-CB 4.03Å; F174-I189 HydrophobicContact CD1-CB 4.47Å; F174-I189 HydrophobicContact CD2-CB 4.22Å; F174-I189 HydrophobicContact CD2-CD1 4.45Å; F174-I189 HydrophobicContact CE1-CB 4.07Å; F174-I189 HydrophobicContact CE1-CG2 3.76Å; F174-I189 HydrophobicContact CE2-CB 3.83Å; F174-I189 HydrophobicContact CE2-CD1 3.65Å; F174-I189 HydrophobicContact CE2-CG1 4.25Å; F174-I189 HydrophobicContact CE2-CG2 4.07Å; F174-I189 HydrophobicContact CZ-CB 3.74Å; F174-I189 HydrophobicContact CZ-CD1 4.05Å; F174-I189 HydrophobicContact CZ-CG1 4.49Å; F174-I189 HydrophobicContact CZ-CG2 3.47Å; F174-I189 VanDerWaalsContact CZ-CG2 3.47Å; F174-I189 PolarHBondContact N-O 2.77Å; F174-I189 PolarHBondContact O-N 2.92Å; F174-A191 HydrophobicContact CE1-CB 4.47Å
175I85.2Confident79.4Confident0 Ų055.1 Ų55.10%026%0.262CS..EExtended strand (participates in β ladder)trans-99.4128.5169.8-61.5160000107.8L161 V162 L164 L186 Y187 L188 L219 V228 I235L161-I175 WeakPolarHBondContact CA-O 3.44Å; V162-I175 HydrophobicContact CB-CB 4.41Å; V162-I175 PolarHBondContact N-O 3.16Å; V162-I175 PolarHBondContact O-N 2.8Å; L164-I175 HydrophobicContact CD1-CD1 3.95Å; L164-I175 HydrophobicContact CD1-CG1 4.02Å; L164-I175 HydrophobicContact CD2-CD1 4.22Å; L164-I175 HydrophobicContact CG-CD1 4.35Å; L164-I175 HydrophobicContact CG-CG1 4.48Å; I175-L186 HydrophobicContact CG2-CB 4.12Å; I175-Y187 CarbonylContact C-O 3.5Å; I175-Y187 VanDerWaalsContact CA-O 3.27Å; I175-Y187 WeakPolarHBondContact CA-O 3.11Å; I175-L188 HydrophobicContact CG1-CD1 4.15Å; I175-L219 HydrophobicContact CG1-CD1 4.32Å; I175-L219 HydrophobicContact CG2-CD1 4.36Å; I175-V228 HydrophobicContact CD1-CG1 4.46Å; I175-V228 HydrophobicContact CD1-CG2 4.04Å; I175-I235 HydrophobicContact CD1-CD1 3.49Å; I175-I235 VanDerWaalsContact CD1-CD1 3.49Å; I175-I235 HydrophobicContact CD1-CG1 3.86Å; I175-I235 HydrophobicContact CG1-CD1 4.32Å
176W83.6Confident79.3Confident76 Ų7650.4 Ų50.429%0.28824%0.24SC..EExtended strand (participates in β ladder)trans-134.1142.9179.7-179.7-98.1000111.1H158 L161 F174 Y187 I189H158-W176 AromaticContact CE1-CD2 3.77Å; H158-W176 AromaticContact CE1-CE2 3.55Å; H158-W176 AromaticContact CE1-CE3 3.9Å; H158-W176 AromaticContact CE1-CH2 3.74Å; H158-W176 AromaticContact CE1-CZ2 3.55Å; H158-W176 AromaticContact CE1-CZ3 3.91Å; H158-W176 AromaticContact NE2-CE2 3.63Å; H158-W176 AromaticContact NE2-CZ2 3.57Å; H158-W176 AromaticContact NE2-NE1 3.89Å; L161-W176 HydrophobicContact CB-CE3 3.69Å; L161-W176 HydrophobicContact CB-CZ3 3.75Å; L161-W176 HydrophobicContact CD1-CE3 3.62Å; L161-W176 HydrophobicContact CD1-CZ3 4.19Å; L161-W176 HydrophobicContact CD2-CE3 4.26Å; L161-W176 HydrophobicContact CD2-CZ3 3.96Å; L161-W176 HydrophobicContact CG-CE3 4.01Å; L161-W176 HydrophobicContact CG-CZ3 4.15Å; F174-W176 HydrophobicContact CD2-CB 3.99Å; F174-W176 HydrophobicContact CE2-CB 4.03Å; W176-Y187 PolarHBondContact N-O 2.93Å; W176-Y187 PolarHBondContact O-N 3.14Å; W176-I189 HydrophobicContact CB-CD1 4.11Å
177L78.5Confident79.4Confident11 Ų1148.3 Ų48.36%0.05823%0.226CC..EExtended strand (participates in β ladder)trans-84.2130.5172.3-177152.6000110.6H158 S160 H185 L186H158-L177 VanDerWaalsContact CD2-CD2 3.44Å; H158-L177 WeakPolarHBondContact CD2-CD2 3.45Å; H158-L177 PolarHBondContact CE1-O 3.13Å; H158-L177 PolarHBondContact NE2-O 3.05Å; S160-L177 PolarHBondContact O-N 3.23Å; L177-H185 CarbonylContact C-O 3.5Å; L177-H185 VanDerWaalsContact CA-O 3.28Å; L177-H185 WeakPolarHBondContact CA-O 3.48Å; L177-L186 HydrophobicContact CB-CD2 4.06Å; L177-L186 HydrophobicContact CD1-CD2 4.38Å; L177-L186 HydrophobicContact CG-CD2 4.48Å
178S76.2Confident79.8Confident3 Ų345.4 Ų45.42%0.02121%0.208CC..EExtended strand (participates in β ladder)trans-137.2148.9173.6126.30000111.4R180 S184 H185 Y187S178-R180 WeakPolarHBondContact OG-CG 3.4Å; S178-R180 PolarHBondContact OG-N 2.78Å; S178-R180 PolarHBondContact OG-NE 2.8Å; S178-S184 CarbonylContact O-C 3.47Å; S178-S184 WeakPolarHBondContact O-CA 3.39Å; S178-H185 PolarHBondContact N-O 3.39Å; S178-H185 PolarHBondContact O-N 3.47Å; S178-Y187 VanDerWaalsContact OG-CE2 3.23Å; S178-Y187 WeakPolarHBondContact OG-CE2 3.23Å
179R74Confident80.3Confident20 Ų2039.8 Ų39.88%0.07518%0.183CC..  trans-103.522.3178.2-69.2176.4171.7-132.8-16.6114.2M152 E156 T181 G182 F183 S184 E223 E460M152-R179 HydrophobicContact CE-CB 3.76Å; M152-R179 HydrophobicContact SD-CB 3.53Å; M152-R179 VanDerWaalsContact SD-CB 3.53Å; E156-R179 VanDerWaalsContact CD-CZ 3.48Å; E156-R179 IonicContact OE1-NH1 2.67Å; E156-R179 IonicContact OE2-CZ 3.27Å; E156-R179 IonicContact OE2-NE 2.87Å; E156-R179 PolarHBondContact OE2-NE 3.43Å; E156-R179 IonicContact OE2-NH1 2.84Å; E156-R179 PolarHBondContact OE2-NH1 2.94Å; E156-R179 VanDerWaalsContact OE2-NH1 3.14Å; E156-R179 IonicContact OE2-NH2 4Å; E156-R179 PolarHBondContact OE2-NH2 3.31Å; R179-T181 PolarHBondContact O-N 2.69Å; R179-T181 VanDerWaalsContact O-N 3.08Å; R179-G182 WeakPolarHBondContact O-CA 3.44Å; R179-G182 PolarHBondContact O-N 2.9Å; R179-F183 WeakPolarHBondContact CA-O 3.45Å; R179-S184 VanDerWaalsContact CG-OG 3.26Å; R179-S184 WeakPolarHBondContact CG-OG 3.46Å; R179-S184 PolarHBondContact NE-OG 2.97Å; R179-S184 PolarHBondContact NH2-OG 2.89Å; R179-E223 IonicContact CZ-OE1 3.4Å; R179-E223 VanDerWaalsContact NH2-CD 3.26Å; R179-E223 IonicContact NH2-OE1 2.73Å; R179-E223 PolarHBondContact NH2-OE1 2.77Å; R179-E223 IonicContact NH2-OE2 3.58Å; R179-E460 IonicContact CZ-OE2 3.09Å; R179-E460 IonicContact NH1-OE2 3.3Å; R179-E460 PolarHBondContact NH1-OE2 2.87Å
180R74.3Confident80.8Confident92 Ų9232 Ų3235%0.34715%0.149SC..THydrogen-bonded Turntrans-58.5-25.8-172.469.4-178.162.3-162.30.4115.1C147 L149 S178 G182 Y187 E216C147-R180 PolarHBondContact SG-NH2 3.45Å; L149-R180 HydrophobicContact CD2-CB 3.76Å; S178-R180 WeakPolarHBondContact OG-CG 3.4Å; S178-R180 PolarHBondContact OG-N 2.78Å; S178-R180 PolarHBondContact OG-NE 2.8Å; R180-G182 VanDerWaalsContact C-N 3.29Å; R180-Y187 WeakPolarHBondContact CD-OH 3.42Å; R180-Y187 HydrophobicContact CG-CE2 4.29Å; R180-Y187 VanDerWaalsContact CG-OH 3.24Å; R180-Y187 WeakPolarHBondContact CG-OH 3.19Å; R180-E216 IonicContact CZ-OE1 2.82Å; R180-E216 IonicContact CZ-OE2 3.72Å; R180-E216 VanDerWaalsContact CZ-OE2 3.29Å; R180-E216 IonicContact NE-OE1 3.1Å; R180-E216 IonicContact NH1-OE1 3.72Å; R180-E216 PolarHBondContact NH1-OE1 3.13Å; R180-E216 IonicContact NH1-OE2 3.06Å; R180-E216 PolarHBondContact NH1-OE2 2.76Å; R180-E216 VanDerWaalsContact NH2-CD 3.28Å; R180-E216 IonicContact NH2-OE1 3.22Å; R180-E216 PolarHBondContact NH2-OE1 3.46Å; R180-E216 IonicContact NH2-OE2 2.68Å; R180-E216 PolarHBondContact NH2-OE2 3.16Å
181T75.4Confident81.1Confident69 Ų6924.9 Ų24.942%0.42312%0.117SC..THydrogen-bonded Turntrans-86.90.7177.660.30000112.7R179 F183 H185R179-T181 PolarHBondContact O-N 2.69Å; R179-T181 VanDerWaalsContact O-N 3.08Å; T181-F183 VanDerWaalsContact C-N 3.28Å; T181-F183 PolarHBondContact OG1-N 3.25Å; T181-F183 PolarHBondContact OG1-O 2.94Å; T181-F183 VanDerWaalsContact OG1-O 3.1Å; T181-H185 PolarHBondContact OG1-CD2 3.41Å; T181-H185 PolarHBondContact OG1-NE2 3.23Å
182G74.3Confident81.1Confident22 Ų2227.4 Ų27.423%0.22713%0.132CC..SBendtrans86.5-9.9-165.400000113.3R179 R180 G456 G457R179-G182 WeakPolarHBondContact O-CA 3.44Å; R179-G182 PolarHBondContact O-N 2.9Å; R180-G182 VanDerWaalsContact C-N 3.29Å; G182-G456 CarbonylContact O-C 3.43Å; G182-G457 PolarHBondContact O-N 3.18Å
183F75.7Confident80.6Confident109 Ų10928.7 Ų28.748%0.47814%0.138SC..SBendtrans-124.1146.7173.4-67-94.9000109.8R179 T181 H185R179-F183 WeakPolarHBondContact CA-O 3.45Å; T181-F183 VanDerWaalsContact C-N 3.28Å; T181-F183 PolarHBondContact OG1-N 3.25Å; T181-F183 PolarHBondContact OG1-O 2.94Å; T181-F183 VanDerWaalsContact OG1-O 3.1Å; F183-H185 PolarHBondContact O-CD2 3.37Å; F183-H185 PolarHBondContact O-N 2.98Å
184S75.8Confident79.6Confident4 Ų427.2 Ų27.23%0.02814%0.137CC..  trans-59.7135.2172.1-66.40000109.4S178 R179 G222S178-S184 CarbonylContact O-C 3.47Å; S178-S184 WeakPolarHBondContact O-CA 3.39Å; R179-S184 VanDerWaalsContact CG-OG 3.26Å; R179-S184 WeakPolarHBondContact CG-OG 3.46Å; R179-S184 PolarHBondContact NE-OG 2.97Å; R179-S184 PolarHBondContact NH2-OG 2.89Å; S184-G222 CarbonylContact C-O 3.41Å; S184-G222 WeakPolarHBondContact CB-O 3.36Å; S184-G222 CarbonylContact O-C 3.53Å; S184-G222 WeakPolarHBondContact O-CA 3.16Å; S184-G222 PolarHBondContact O-N 2.75Å
185H77.9Confident78.3Confident14 Ų1435.2 Ų35.27%0.06517%0.167CC..EExtended strand (participates in β ladder)trans-145.3148.7175.2-60.3-42.4000108.8L177 S178 T181 F183 Y187 Q218 T220 S221 G222L177-H185 CarbonylContact C-O 3.5Å; L177-H185 VanDerWaalsContact CA-O 3.28Å; L177-H185 WeakPolarHBondContact CA-O 3.48Å; S178-H185 PolarHBondContact N-O 3.39Å; S178-H185 PolarHBondContact O-N 3.47Å; T181-H185 PolarHBondContact OG1-CD2 3.41Å; T181-H185 PolarHBondContact OG1-NE2 3.23Å; F183-H185 PolarHBondContact O-CD2 3.37Å; F183-H185 PolarHBondContact O-N 2.98Å; H185-Y187 HydrophobicContact CB-CD2 4.29Å; H185-Y187 HydrophobicContact CB-CE2 3.56Å; H185-Y187 PolarHBondContact CD2-OH 3.34Å; H185-Y187 WeakPolarHBondContact O-CD2 3.35Å; H185-Q218 HydrophobicContact CB-CG 3.96Å; H185-Q218 VanDerWaalsContact CD2-CD 3.47Å; H185-Q218 PolarHBondContact CD2-NE2 3.3Å; H185-Q218 VanDerWaalsContact CG-NE2 3.29Å; H185-Q218 PolarHBondContact NE2-NE2 2.88Å; H185-T220 WeakPolarHBondContact CB-O 3.36Å; H185-T220 VanDerWaalsContact CG-O 3.3Å; H185-T220 PolarHBondContact ND1-O 2.88Å; H185-S221 WeakPolarHBondContact CE1-CA 3.04Å; H185-S221 WeakPolarHBondContact ND1-CA 3.36Å; H185-G222 PolarHBondContact ND1-N 3.23Å
186L82.7Confident76.7Confident0 Ų040.3 Ų40.30%019%0.19CC..EExtended strand (participates in β ladder)trans-82.6135.9169.2-55.9-176.7000108.7I175 L177 L219 T220 I226 I235I175-L186 HydrophobicContact CG2-CB 4.12Å; L177-L186 HydrophobicContact CB-CD2 4.06Å; L177-L186 HydrophobicContact CD1-CD2 4.38Å; L177-L186 HydrophobicContact CG-CD2 4.48Å; L186-L219 HydrophobicContact CB-CB 4.16Å; L186-L219 HydrophobicContact CB-CD1 4.34Å; L186-L219 WeakPolarHBondContact O-CB 3.37Å; L186-L219 PolarHBondContact O-N 3.01Å; L186-T220 HydrophobicContact CB-CG2 4.06Å; L186-T220 WeakPolarHBondContact CB-OG1 3.36Å; L186-T220 HydrophobicContact CD1-CG2 3.91Å; L186-T220 HydrophobicContact CG-CG2 4.03Å; L186-T220 WeakPolarHBondContact CG-OG1 3.25Å; L186-T220 PolarHBondContact N-OG1 3.26Å; L186-I226 HydrophobicContact CD1-CD1 3.8Å; L186-I226 HydrophobicContact CD1-CG1 3.99Å; L186-I226 HydrophobicContact CD1-CG2 4.34Å; L186-I226 HydrophobicContact CD2-CD1 3.27Å; L186-I226 HydrophobicContact CD2-CG1 4.03Å; L186-I226 HydrophobicContact CG-CD1 4.16Å; L186-I235 HydrophobicContact CD1-CG2 3.81Å
187Y84.4Confident75.1Confident8 Ų841 Ų413%0.03121%0.212CC..EExtended strand (participates in β ladder)trans-121.6129.6175.4-67.8-90.4000108.8I175 W176 S178 R180 H185 E216 V217 Q218I175-Y187 CarbonylContact C-O 3.5Å; I175-Y187 VanDerWaalsContact CA-O 3.27Å; I175-Y187 WeakPolarHBondContact CA-O 3.11Å; W176-Y187 PolarHBondContact N-O 2.93Å; W176-Y187 PolarHBondContact O-N 3.14Å; S178-Y187 VanDerWaalsContact OG-CE2 3.23Å; S178-Y187 WeakPolarHBondContact OG-CE2 3.23Å; R180-Y187 WeakPolarHBondContact CD-OH 3.42Å; R180-Y187 HydrophobicContact CG-CE2 4.29Å; R180-Y187 VanDerWaalsContact CG-OH 3.24Å; R180-Y187 WeakPolarHBondContact CG-OH 3.19Å; H185-Y187 HydrophobicContact CB-CD2 4.29Å; H185-Y187 HydrophobicContact CB-CE2 3.56Å; H185-Y187 PolarHBondContact CD2-OH 3.34Å; H185-Y187 WeakPolarHBondContact O-CD2 3.35Å; Y187-E216 HydrophobicContact CD1-CG 3.76Å; Y187-E216 WeakPolarHBondContact CD1-OE1 3.38Å; Y187-E216 HydrophobicContact CG-CG 4.36Å; Y187-E216 VanDerWaalsContact CG-OE1 3.25Å; Y187-V217 CarbonylContact C-O 3.56Å; Y187-V217 VanDerWaalsContact CA-O 3.26Å; Y187-V217 WeakPolarHBondContact CA-O 3.23Å; Y187-Q218 HydrophobicContact CD1-CB 3.93Å; Y187-Q218 HydrophobicContact CD1-CG 4.36Å; Y187-Q218 HydrophobicContact CE1-CB 3.53Å; Y187-Q218 HydrophobicContact CE1-CG 3.78Å; Y187-Q218 PolarHBondContact OH-OE1 2.9Å
188L87.9Confident73.6Confident8 Ų846 Ų464%0.04224%0.235CC..EExtended strand (participates in β ladder)trans-81.1122.3161.6-179.366.7000107.4L164 R173 I175 E216 V217 L219L164-L188 HydrophobicContact CD1-CD1 3.65Å; R173-L188 HydrophobicContact CG-CD1 3.8Å; I175-L188 HydrophobicContact CG1-CD1 4.15Å; L188-E216 WeakPolarHBondContact O-CA 3.38Å; L188-V217 HydrophobicContact CB-CB 4.38Å; L188-V217 PolarHBondContact N-O 2.91Å; L188-V217 PolarHBondContact O-N 3.37Å; L188-L219 HydrophobicContact CB-CD1 4Å; L188-L219 HydrophobicContact CB-CD2 4.02Å; L188-L219 HydrophobicContact CB-CG 4.16Å
189I86.7Confident72Confident0 Ų054.4 Ų54.40%027%0.274CS..EExtended strand (participates in β ladder)trans-119.9123.6-178.4-60.8173.9000108.3R173 F174 W176 A191 I213 Q215 E216R173-I189 CarbonylContact C-O 3.47Å; R173-I189 WeakPolarHBondContact CA-O 3.42Å; F174-I189 HydrophobicContact CD1-CB 4.47Å; F174-I189 HydrophobicContact CD2-CB 4.22Å; F174-I189 HydrophobicContact CD2-CD1 4.45Å; F174-I189 HydrophobicContact CE1-CB 4.07Å; F174-I189 HydrophobicContact CE1-CG2 3.76Å; F174-I189 HydrophobicContact CE2-CB 3.83Å; F174-I189 HydrophobicContact CE2-CD1 3.65Å; F174-I189 HydrophobicContact CE2-CG1 4.25Å; F174-I189 HydrophobicContact CE2-CG2 4.07Å; F174-I189 HydrophobicContact CZ-CB 3.74Å; F174-I189 HydrophobicContact CZ-CD1 4.05Å; F174-I189 HydrophobicContact CZ-CG1 4.49Å; F174-I189 HydrophobicContact CZ-CG2 3.47Å; F174-I189 VanDerWaalsContact CZ-CG2 3.47Å; F174-I189 PolarHBondContact N-O 2.77Å; F174-I189 PolarHBondContact O-N 2.92Å; W176-I189 HydrophobicContact CB-CD1 4.11Å; I189-A191 HydrophobicContact CG2-CB 4.38Å; I189-I213 HydrophobicContact CG2-CD1 4.45Å; I189-I213 HydrophobicContact CG2-CG1 4.17Å; I189-I213 HydrophobicContact CG2-CG2 4.17Å; I189-Q215 WeakPolarHBondContact CA-O 3.36Å; I189-E216 HydrophobicContact CG1-CG 4.15Å
190D86.6Confident70.9Confident5 Ų556.2 Ų56.23%0.02729%0.287CS..EExtended strand (participates in β ladder)trans-106.1125.7166.1-72.5-51.4000108.3R173 V214 Q215R173-D190 VanDerWaalsContact CB-OD1 3.29Å; R173-D190 WeakPolarHBondContact CB-OD1 3.3Å; R173-D190 WeakPolarHBondContact CG-OD1 3.48Å; R173-D190 IonicContact CZ-OD1 2.99Å; R173-D190 IonicContact CZ-OD2 3.52Å; R173-D190 IonicContact NE-OD1 3.31Å; R173-D190 PolarHBondContact NE-OD1 2.82Å; R173-D190 IonicContact NE-OD2 3.39Å; R173-D190 PolarHBondContact NE-OD2 2.82Å; R173-D190 IonicContact NH2-OD1 3.78Å; R173-D190 IonicContact NH2-OD2 2.77Å; R173-D190 PolarHBondContact NH2-OD2 2.88Å; D190-V214 PolarHBondContact O-N 3.03Å; D190-Q215 HydrophobicContact CB-CB 4.17Å; D190-Q215 PolarHBondContact N-O 3.3Å; D190-Q215 PolarHBondContact O-N 3.12Å; D190-Q215 VanDerWaalsContact O-N 3.14Å
191A84.1Confident69.5Low1 Ų157.2 Ų57.21%0.00831%0.305CS..EExtended strand (participates in β ladder)trans-139.3140.5-177.200000111.7S171 A172 F174 I189 L211 D212 I213S171-A191 CarbonylContact C-O 3.59Å; S171-A191 WeakPolarHBondContact CA-O 3.43Å; S171-A191 VanDerWaalsContact CB-O 3.25Å; S171-A191 WeakPolarHBondContact CB-O 3.33Å; A172-A191 PolarHBondContact N-O 3.28Å; A172-A191 PolarHBondContact O-N 3.04Å; F174-A191 HydrophobicContact CE1-CB 4.47Å; I189-A191 HydrophobicContact CG2-CB 4.38Å; A191-L211 HydrophobicContact CB-CB 4.06Å; A191-L211 HydrophobicContact CB-CD2 3.32Å; A191-L211 HydrophobicContact CB-CG 4.29Å; A191-D212 CarbonylContact C-O 3.49Å; A191-D212 VanDerWaalsContact CA-O 3.25Å; A191-D212 WeakPolarHBondContact CA-O 3.23Å; A191-I213 HydrophobicContact CB-CG1 4.47Å
192V80.6Confident68.5Low55 Ų5561.9 Ų61.933%0.33333%0.328SS..EExtended strand (participates in β ladder)trans-95.6137.5178.21730000108.8S194 L211 D212 V214V192-S194 PolarHBondContact O-N 3.48Å; V192-L211 WeakPolarHBondContact O-CA 3.42Å; V192-D212 PolarHBondContact N-O 3.11Å; V192-D212 PolarHBondContact O-N 3.45Å; V192-V214 HydrophobicContact CB-CG2 4.12Å; V192-V214 HydrophobicContact CG2-CG2 3.34Å
193L74.2Confident67.2Low28 Ų2866.9 Ų66.915%0.14735%0.345CS..EExtended strand (participates in β ladder)trans-79.7107.4174.7-66.6159.5000108.7H170 L211H170-L193 WeakPolarHBondContact O-CB 3.46Å; H170-L193 PolarHBondContact O-N 2.76Å; L193-L211 HydrophobicContact CD2-CD1 4.23Å; L193-L211 HydrophobicContact CD2-CD2 3.91Å; L193-L211 HydrophobicContact CD2-CG 3.87Å; L193-L211 HydrophobicContact CG-CD2 4.23Å
194S66.1Low65.9Low27 Ų2767.3 Ų67.319%0.18936%0.357CS..EExtended strand (participates in β ladder)trans-100130.5170.5620000110.1V192 E209 N210 D212V192-S194 PolarHBondContact O-N 3.48Å; S194-E209 CarbonylContact O-C 3.54Å; S194-E209 WeakPolarHBondContact O-CA 3.45Å; S194-N210 PolarHBondContact N-O 2.65Å; S194-N210 PolarHBondContact O-N 2.91Å; S194-N210 PolarHBondContact OG-O 2.84Å; S194-D212 WeakPolarHBondContact CB-OD2 3.38Å; S194-D212 PolarHBondContact OG-OD2 3.27Å
195R59.7Low64.3Low188 Ų18869.9 Ų69.971%0.70938%0.379SS*.EExtended strand (participates in β ladder)trans-86.1122.3173.8-83.4177.4177.8-176.10.4109.1E209R195-E209 HydrophobicContact CG-CG 3.71Å; R195-E209 WeakPolarHBondContact CG-OE1 3.46Å; R195-E209 IonicContact CZ-OE1 3.57Å; R195-E209 IonicContact NE-OE1 3.14Å; R195-E209 PolarHBondContact NE-OE1 3.31Å; R195-E209 IonicContact NH2-OE1 3.39Å; R195-E209 PolarHBondContact NH2-OE1 3.09Å
196Q53Low62.7Low106 Ų10675.6 Ų75.650%0.49540%0.4SS..EExtended strand (participates in β ladder)trans-114.3113.2160.3-72.4-170.4-20.100108.2E198 S208 N210Q196-E198 PolarHBondContact O-N 2.72Å; Q196-S208 PolarHBondContact N-O 3.19Å; Q196-N210 PolarHBondContact OE1-ND2 3.49Å
197A48.3Very low60.9Low90 Ų9077.8 Ų77.874%0.74441%0.413SS*.EExtended strand (participates in β ladder)trans-76.5106.9169.500000107.8
198E47.5Very low59.2Low117 Ų11778.8 Ų78.855%0.54742%0.421SS..  trans-87.8103162.5-76.4-171.5162.300108Q196 V200Q196-E198 PolarHBondContact O-N 2.72Å; E198-V200 HydrophobicContact CB-CG2 4.44Å; E198-V200 PolarHBondContact O-N 3.41Å
199E43.7Very low57.6Low180 Ų18078.6 Ų78.684%0.84142%0.42SS*.  trans-7295.5163.7-78.6-173.1165.200108.2P201E199-P201 WeakPolarHBondContact O-CD 3.43Å
200V49.6Very low56.3Low57 Ų5781.1 Ų81.135%0.34543%0.434SS..  trans-87111.1165.9-174.30000107.7E198 N202E198-V200 HydrophobicContact CB-CG2 4.44Å; E198-V200 PolarHBondContact O-N 3.41Å; V200-N202 PolarHBondContact O-N 2.91Å
201P45.7Very low55.3Low113 Ų11382 Ų8273%0.73444%0.438SS*.THydrogen-bonded Turntrans-61.7129.6177.5-17.330.5000109.8E199E199-P201 WeakPolarHBondContact O-CD 3.43Å
202N53.5Low54.8Low168 Ų16886.1 Ų86.190%0.89846%0.46SS*.THydrogen-bonded Turntrans74.616.3176.8-63.7-18.8000118.6V200V200-N202 PolarHBondContact O-N 2.91Å
203Q48.4Very low54.7Low127 Ų12787 Ų8759%0.59346%0.462SS*.SBendtrans-126.2151.8159.2-71.6-175.4-7.600109A205Q203-A205 PolarHBondContact O-N 2.84Å
204T48.4Very low55Low117 Ų11789.8 Ų89.872%0.71848%0.48SS*.  trans-41.6116.4167.428.80000108.2W206T204-W206 PolarHBondContact O-N 3.27Å
205A42.4Very low55.8Low59 Ų5993 Ų9349%0.48849%0.492SS..  trans-52.5110.3-175.500000108.7Q203 V207Q203-A205 PolarHBondContact O-N 2.84Å; A205-V207 PolarHBondContact O-N 2.87Å
206W42.4Very low56.9Low134 Ų13486.9 Ų86.951%0.50847%0.471SS..  trans-77110.6174.5-65.2101.4000106.5I142 T204 S208I142-W206 HydrophobicContact CD1-CZ3 3.94Å; T204-W206 PolarHBondContact O-N 3.27Å; W206-S208 PolarHBondContact O-N 3.21Å
207V45.8Very low58.4Low45 Ų4582.8 Ų82.827%0.27345%0.454SS..EExtended strand (participates in β ladder)trans-78.6102.4168-177.50000106.8A205 E209A205-V207 PolarHBondContact O-N 2.87Å; V207-E209 HydrophobicContact CG1-CG 4.29Å; V207-E209 PolarHBondContact O-N 2.86Å
208S47.8Very low60.1Low29 Ų2982.3 Ų82.320%0.20344%0.436CS..EExtended strand (participates in β ladder)trans-78.9110.3169173.90000108.5Q196 W206Q196-S208 PolarHBondContact N-O 3.19Å; W206-S208 PolarHBondContact O-N 3.21Å
209E54.6Low61.7Low5 Ų577.2 Ų77.22%0.02341%0.412CS..EExtended strand (participates in β ladder)trans-95.1114164.7-73.6-173.3174.900107.9R143 S194 R195 V207R143-E209 WeakPolarHBondContact CD-OE2 3.27Å; R143-E209 HydrophobicContact CG-CB 4.33Å; R143-E209 IonicContact CZ-OE2 3.35Å; R143-E209 IonicContact NE-OE2 3.21Å; R143-E209 PolarHBondContact NE-OE2 3.3Å; R143-E209 IonicContact NH2-OE2 2.98Å; R143-E209 PolarHBondContact NH2-OE2 3.36Å; S194-E209 CarbonylContact O-C 3.54Å; S194-E209 WeakPolarHBondContact O-CA 3.45Å; R195-E209 HydrophobicContact CG-CG 3.71Å; R195-E209 WeakPolarHBondContact CG-OE1 3.46Å; R195-E209 IonicContact CZ-OE1 3.57Å; R195-E209 IonicContact NE-OE1 3.14Å; R195-E209 PolarHBondContact NE-OE1 3.31Å; R195-E209 IonicContact NH2-OE1 3.39Å; R195-E209 PolarHBondContact NH2-OE1 3.09Å; V207-E209 HydrophobicContact CG1-CG 4.29Å; V207-E209 PolarHBondContact O-N 2.86Å
210N59.4Low63.1Low53 Ų5368.9 Ų68.928%0.28337%0.374SS..EExtended strand (participates in β ladder)trans-87.1146.8174.4-73.4-38.3000109.2S194 Q196S194-N210 PolarHBondContact N-O 2.65Å; S194-N210 PolarHBondContact O-N 2.91Å; S194-N210 PolarHBondContact OG-O 2.84Å; Q196-N210 PolarHBondContact OE1-ND2 3.49Å
211L66.6Low63.6Low22 Ų2269.1 Ų69.112%0.11538%0.378CS..EExtended strand (participates in β ladder)trans-101.3106.8170.2-90.6144000108.7F145 A172 A191 V192 L193 I213F145-L211 HydrophobicContact CB-CD1 4.18Å; F145-L211 HydrophobicContact CD1-CD1 3.15Å; F145-L211 HydrophobicContact CE1-CD1 3.56Å; F145-L211 HydrophobicContact CG-CD1 3.76Å; F145-L211 HydrophobicContact CZ-CD1 4.46Å; A172-L211 HydrophobicContact CB-CD2 4.15Å; A191-L211 HydrophobicContact CB-CB 4.06Å; A191-L211 HydrophobicContact CB-CD2 3.32Å; A191-L211 HydrophobicContact CB-CG 4.29Å; V192-L211 WeakPolarHBondContact O-CA 3.42Å; L193-L211 HydrophobicContact CD2-CD1 4.23Å; L193-L211 HydrophobicContact CD2-CD2 3.91Å; L193-L211 HydrophobicContact CD2-CG 3.87Å; L193-L211 HydrophobicContact CG-CD2 4.23Å; L211-I213 PolarHBondContact O-N 3.43Å
212D74Confident63.9Low89 Ų8964.2 Ų64.248%0.47635%0.348SS..EExtended strand (participates in β ladder)trans-80.5107.6172.5-66.6-43.9000108A191 V192 S194 V214A191-D212 CarbonylContact C-O 3.49Å; A191-D212 VanDerWaalsContact CA-O 3.25Å; A191-D212 WeakPolarHBondContact CA-O 3.23Å; V192-D212 PolarHBondContact N-O 3.11Å; V192-D212 PolarHBondContact O-N 3.45Å; S194-D212 WeakPolarHBondContact CB-OD2 3.38Å; S194-D212 PolarHBondContact OG-OD2 3.27Å; D212-V214 PolarHBondContact O-N 3.37Å; D212-V214 VanDerWaalsContact O-N 3.08Å
213I78.3Confident63.7Low73 Ų7356.8 Ų56.837%0.37431%0.308SS..EExtended strand (participates in β ladder)trans-63.2111.6176.6-62.1176000108.2I189 A191 L211 E216I189-I213 HydrophobicContact CG2-CD1 4.45Å; I189-I213 HydrophobicContact CG2-CG1 4.17Å; I189-I213 HydrophobicContact CG2-CG2 4.17Å; A191-I213 HydrophobicContact CB-CG1 4.47Å; L211-I213 PolarHBondContact O-N 3.43Å; I213-E216 HydrophobicContact CG2-CB 4.1Å
214V81.1Confident64.2Low86 Ų8651.2 Ų51.252%0.52128%0.281SS..EExtended strand (participates in β ladder)trans-81.1-43.4177.1-179.40000110D190 V192 D212D190-V214 PolarHBondContact O-N 3.03Å; V192-V214 HydrophobicContact CB-CG2 4.12Å; V192-V214 HydrophobicContact CG2-CG2 3.34Å; D212-V214 PolarHBondContact O-N 3.37Å; D212-V214 VanDerWaalsContact O-N 3.08Å
215Q82.7Confident64.6Low96 Ų9647.6 Ų47.645%0.44926%0.258SS..EExtended strand (participates in β ladder)trans-145.4140.4-177.2-173.21776.500109.9I189 D190 V217I189-Q215 WeakPolarHBondContact CA-O 3.36Å; D190-Q215 HydrophobicContact CB-CB 4.17Å; D190-Q215 PolarHBondContact N-O 3.3Å; D190-Q215 PolarHBondContact O-N 3.12Å; D190-Q215 VanDerWaalsContact O-N 3.14Å; Q215-V217 HydrophobicContact CG-CG2 4Å
216E83Confident65.8Low58 Ų5845.4 Ų45.427%0.27124%0.238SC..EExtended strand (participates in β ladder)trans-136.2125.3171.3179.1166.5-170.300110.1R180 Y187 L188 I189 I213R180-E216 IonicContact CZ-OE1 2.82Å; R180-E216 IonicContact CZ-OE2 3.72Å; R180-E216 VanDerWaalsContact CZ-OE2 3.29Å; R180-E216 IonicContact NE-OE1 3.1Å; R180-E216 IonicContact NH1-OE1 3.72Å; R180-E216 PolarHBondContact NH1-OE1 3.13Å; R180-E216 IonicContact NH1-OE2 3.06Å; R180-E216 PolarHBondContact NH1-OE2 2.76Å; R180-E216 VanDerWaalsContact NH2-CD 3.28Å; R180-E216 IonicContact NH2-OE1 3.22Å; R180-E216 PolarHBondContact NH2-OE1 3.46Å; R180-E216 IonicContact NH2-OE2 2.68Å; R180-E216 PolarHBondContact NH2-OE2 3.16Å; Y187-E216 HydrophobicContact CD1-CG 3.76Å; Y187-E216 WeakPolarHBondContact CD1-OE1 3.38Å; Y187-E216 HydrophobicContact CG-CG 4.36Å; Y187-E216 VanDerWaalsContact CG-OE1 3.25Å; L188-E216 WeakPolarHBondContact O-CA 3.38Å; I189-E216 HydrophobicContact CG1-CG 4.15Å; I213-E216 HydrophobicContact CG2-CB 4.1Å
217V84.4Confident67.3Low20 Ų2041.6 Ų41.612%0.12123%0.225CC..EExtended strand (participates in β ladder)trans-125.1121.4-178.1178.80000109.6Y187 L188 Q215 L219 P257Y187-V217 CarbonylContact C-O 3.56Å; Y187-V217 VanDerWaalsContact CA-O 3.26Å; Y187-V217 WeakPolarHBondContact CA-O 3.23Å; L188-V217 HydrophobicContact CB-CB 4.38Å; L188-V217 PolarHBondContact N-O 2.91Å; L188-V217 PolarHBondContact O-N 3.37Å; Q215-V217 HydrophobicContact CG-CG2 4Å; V217-L219 HydrophobicContact CG1-CD2 4.16Å; V217-L219 PolarHBondContact O-N 3.43Å; V217-P257 HydrophobicContact CG1-CB 3.54Å; V217-P257 HydrophobicContact CG1-CG 3.86Å; V217-P257 HydrophobicContact CG2-CG 4.45Å
218Q84.1Confident69Low80 Ų8040.3 Ų40.337%0.37422%0.218SC..EExtended strand (participates in β ladder)trans-71123.8170.2-170.7172.9-4000110.3H185 Y187 T220H185-Q218 HydrophobicContact CB-CG 3.96Å; H185-Q218 VanDerWaalsContact CD2-CD 3.47Å; H185-Q218 PolarHBondContact CD2-NE2 3.3Å; H185-Q218 VanDerWaalsContact CG-NE2 3.29Å; H185-Q218 PolarHBondContact NE2-NE2 2.88Å; Y187-Q218 HydrophobicContact CD1-CB 3.93Å; Y187-Q218 HydrophobicContact CD1-CG 4.36Å; Y187-Q218 HydrophobicContact CE1-CB 3.53Å; Y187-Q218 HydrophobicContact CE1-CG 3.78Å; Y187-Q218 PolarHBondContact OH-OE1 2.9Å; Q218-T220 WeakPolarHBondContact CG-O 3.23Å; Q218-T220 PolarHBondContact NE2-O 2.9Å
219L79.3Confident70.8Confident10 Ų1039.1 Ų39.15%0.05221%0.209CC..  trans-97.4-27-177.8-56.2177.7000112.9I175 L186 L188 V217 I235I175-L219 HydrophobicContact CG1-CD1 4.32Å; I175-L219 HydrophobicContact CG2-CD1 4.36Å; L186-L219 HydrophobicContact CB-CB 4.16Å; L186-L219 HydrophobicContact CB-CD1 4.34Å; L186-L219 WeakPolarHBondContact O-CB 3.37Å; L186-L219 PolarHBondContact O-N 3.01Å; L188-L219 HydrophobicContact CB-CD1 4Å; L188-L219 HydrophobicContact CB-CD2 4.02Å; L188-L219 HydrophobicContact CB-CG 4.16Å; V217-L219 HydrophobicContact CG1-CD2 4.16Å; V217-L219 PolarHBondContact O-N 3.43Å; L219-I235 HydrophobicContact CD1-CD1 3.4Å
220T74.3Confident72.2Confident5 Ų542.5 Ų42.53%0.03123%0.225CC..  trans-145.5178.4-168.164.50000114.4H185 L186 Q218 W224 F237 T252H185-T220 WeakPolarHBondContact CB-O 3.36Å; H185-T220 VanDerWaalsContact CG-O 3.3Å; H185-T220 PolarHBondContact ND1-O 2.88Å; L186-T220 HydrophobicContact CB-CG2 4.06Å; L186-T220 WeakPolarHBondContact CB-OG1 3.36Å; L186-T220 HydrophobicContact CD1-CG2 3.91Å; L186-T220 HydrophobicContact CG-CG2 4.03Å; L186-T220 WeakPolarHBondContact CG-OG1 3.25Å; L186-T220 PolarHBondContact N-OG1 3.26Å; Q218-T220 WeakPolarHBondContact CG-O 3.23Å; Q218-T220 PolarHBondContact NE2-O 2.9Å; T220-W224 PolarHBondContact OG1-NE1 3.38Å; T220-F237 HydrophobicContact CG2-CD1 4.09Å; T220-F237 HydrophobicContact CG2-CE1 3.51Å; T220-F237 HydrophobicContact CG2-CE2 4.05Å; T220-F237 HydrophobicContact CG2-CZ 3.46Å; T220-F237 VanDerWaalsContact CG2-CZ 3.46Å; T220-T252 HydrophobicContact CG2-CG2 3.99Å
221S60.6Low73.4Confident63 Ų6344.6 Ų44.644%0.44124%0.243SC..SBendtrans-132.876.4-179.461.30000116.6H185 W224H185-S221 WeakPolarHBondContact CE1-CA 3.04Å; H185-S221 WeakPolarHBondContact ND1-CA 3.36Å; S221-W224 WeakPolarHBondContact O-CH2 3.26Å; S221-W224 WeakPolarHBondContact O-CZ2 3.23Å
222G51.8Low74.4Confident9 Ų946.6 Ų46.69%0.09325%0.249CC..SBendtrans143.8-169.1178.400000118.5S184 H185 W224S184-G222 CarbonylContact C-O 3.41Å; S184-G222 WeakPolarHBondContact CB-O 3.36Å; S184-G222 CarbonylContact O-C 3.53Å; S184-G222 WeakPolarHBondContact O-CA 3.16Å; S184-G222 PolarHBondContact O-N 2.75Å; H185-G222 PolarHBondContact ND1-N 3.23Å; G222-W224 VanDerWaalsContact N-CH2 3.31Å; G222-W224 VanDerWaalsContact O-CD1 3.24Å; G222-W224 PolarHBondContact O-NE1 2.89Å
223E48.8Very low75.1Confident12 Ų1244.2 Ų44.26%0.05624%0.239CC..  trans-95.2116.5-173.4-61.3-162.5177.400116.4R179 R275 N454R179-E223 IonicContact CZ-OE1 3.4Å; R179-E223 VanDerWaalsContact NH2-CD 3.26Å; R179-E223 IonicContact NH2-OE1 2.73Å; R179-E223 PolarHBondContact NH2-OE1 2.77Å; R179-E223 IonicContact NH2-OE2 3.58Å; E223-R275 IonicContact OE1-NH2 2.75Å; E223-R275 PolarHBondContact OE1-NH2 2.67Å; E223-R275 IonicContact OE2-CZ 3.78Å; E223-R275 IonicContact OE2-NE 3.1Å; E223-R275 PolarHBondContact OE2-NE 2.96Å; E223-R275 IonicContact OE2-NH2 3.79Å; E223-R275 PolarHBondContact OE2-NH2 2.79Å; E223-N454 PolarHBondContact OE2-OD1 3.33Å
224W58.9Low75.7Confident10 Ų1040.7 Ų40.74%0.03822%0.221CC..  trans-136.5150.5-162.6-18.5111.5000119.7S160 T220 S221 G222 F237 L238 A239 A241S160-W224 PolarHBondContact OG-O 3.13Å; T220-W224 PolarHBondContact OG1-NE1 3.38Å; S221-W224 WeakPolarHBondContact O-CH2 3.26Å; S221-W224 WeakPolarHBondContact O-CZ2 3.23Å; G222-W224 VanDerWaalsContact N-CH2 3.31Å; G222-W224 VanDerWaalsContact O-CD1 3.24Å; G222-W224 PolarHBondContact O-NE1 2.89Å; W224-F237 HydrophobicContact CB-CB 3.89Å; W224-F237 HydrophobicContact CB-CD2 4.02Å; W224-F237 HydrophobicContact CB-CG 4.38Å; W224-F237 AromaticContact CD2-CD2 3.49Å; W224-F237 HydrophobicContact CD2-CD2 3.49Å; W224-F237 VanDerWaalsContact CD2-CD2 3.49Å; W224-F237 AromaticContact CD2-CE2 3.82Å; W224-F237 HydrophobicContact CD2-CE2 3.82Å; W224-F237 AromaticContact CE2-CD2 3.67Å; W224-F237 AromaticContact CE2-CE2 3.56Å; W224-F237 AromaticContact CE3-CD2 3.97Å; W224-F237 HydrophobicContact CE3-CD2 3.97Å; W224-F237 HydrophobicContact CE3-CE2 4.19Å; W224-F237 HydrophobicContact CG-CB 4.34Å; W224-F237 AromaticContact CG-CD2 3.66Å; W224-F237 HydrophobicContact CG-CD2 3.66Å; W224-F237 HydrophobicContact CG-CE2 4.37Å; W224-F237 HydrophobicContact CG-CG 4.32Å; W224-F237 HydrophobicContact CH2-CD2 4.37Å; W224-F237 AromaticContact CH2-CE2 3.77Å; W224-F237 HydrophobicContact CH2-CE2 3.77Å; W224-F237 AromaticContact CZ2-CD2 3.98Å; W224-F237 HydrophobicContact CZ2-CD2 3.98Å; W224-F237 AromaticContact CZ2-CE2 3.38Å; W224-F237 HydrophobicContact CZ2-CE2 3.38Å; W224-F237 HydrophobicContact CZ2-CZ 4.26Å; W224-F237 HydrophobicContact CZ3-CE2 4.3Å; W224-L238 WeakPolarHBondContact CA-O 3.39Å; W224-L238 WeakPolarHBondContact CB-O 3.38Å; W224-A239 HydrophobicContact CD2-CB 4.09Å; W224-A239 HydrophobicContact CE3-CB 3.11Å; W224-A239 HydrophobicContact CH2-CB 3.39Å; W224-A239 HydrophobicContact CZ2-CB 4.34Å; W224-A239 HydrophobicContact CZ3-CB 2.8Å; W224-A241 HydrophobicContact CH2-CB 4.33Å
225D56.6Low76Confident42 Ų4236.6 Ų36.623%0.22520%0.197CC..  trans-92.9151.7156.1-164.36.2000109F237 L238 K278D225-F237 WeakPolarHBondContact O-CA 3.33Å; D225-F237 WeakPolarHBondContact O-CB 3.38Å; D225-L238 HydrophobicContact CB-CB 4.46Å; D225-L238 PolarHBondContact O-N 3.31Å; D225-K278 PolarHBondContact OD2-N 3.25Å
226I67.1Low76.3Confident12 Ų1232 Ų326%0.06218%0.175CC..EExtended strand (participates in β ladder)trans-134.3135.9-165.3-47.2173.7000112.5L186 V228 I235 Y236L186-I226 HydrophobicContact CD1-CD1 3.8Å; L186-I226 HydrophobicContact CD1-CG1 3.99Å; L186-I226 HydrophobicContact CD1-CG2 4.34Å; L186-I226 HydrophobicContact CD2-CD1 3.27Å; L186-I226 HydrophobicContact CD2-CG1 4.03Å; L186-I226 HydrophobicContact CG-CD1 4.16Å; I226-V228 HydrophobicContact CG2-CG2 3.98Å; I226-I235 HydrophobicContact CG2-CG2 3.49Å; I226-I235 VanDerWaalsContact CG2-CG2 3.49Å; I226-Y236 WeakPolarHBondContact CA-O 3.28Å
227E74.9Confident76.4Confident54 Ų5429.3 Ų29.325%0.25216%0.162SC..EExtended strand (participates in β ladder)trans-125.7140.4161.8-165.372.5-137.500109.3I235 Y236 F282 L286E227-I235 WeakPolarHBondContact O-CA 3.32Å; E227-Y236 PolarHBondContact N-O 2.8Å; E227-Y236 PolarHBondContact O-N 2.89Å; E227-F282 HydrophobicContact CB-CD2 4.12Å; E227-F282 HydrophobicContact CB-CE2 4.01Å; E227-F282 HydrophobicContact CG-CD2 3.79Å; E227-F282 HydrophobicContact CG-CE2 4.17Å; E227-F282 HydrophobicContact CG-CG 4.5Å; E227-L286 HydrophobicContact CG-CD2 3.97Å
228V80.9Confident76.4Confident18 Ų1828.3 Ų28.311%0.10916%0.157CC..EExtended strand (participates in β ladder)trans-117.7125.1-173.8-176.20000111.2V162 L164 I175 I226 E230 I235 Y254V162-V228 HydrophobicContact CB-CG2 4.28Å; V162-V228 HydrophobicContact CG1-CB 4.5Å; V162-V228 HydrophobicContact CG1-CG2 3.93Å; V162-V228 HydrophobicContact CG2-CG2 4.07Å; L164-V228 HydrophobicContact CD2-CG1 4.07Å; I175-V228 HydrophobicContact CD1-CG1 4.46Å; I175-V228 HydrophobicContact CD1-CG2 4.04Å; I226-V228 HydrophobicContact CG2-CG2 3.98Å; V228-E230 HydrophobicContact CG1-CG 4.03Å; V228-I235 HydrophobicContact CG1-CG1 4.47Å; V228-I235 HydrophobicContact CG2-CG1 4.27Å; V228-Y254 HydrophobicContact CG1-CE1 4.07Å
229D85.7Confident76.5Confident4 Ų424.5 Ų24.52%0.02114%0.139CC..EExtended strand (participates in β ladder)trans-96.992.7168.8-170.6-21.6000109.5S231 R232 C233 L234 Y236 L286D229-S231 PolarHBondContact O-N 3.41Å; D229-S231 WeakPolarHBondContact OD1-CB 3.33Å; D229-S231 PolarHBondContact OD1-N 3.32Å; D229-S231 PolarHBondContact OD1-OG 2.89Å; D229-R232 PolarHBondContact O-N 2.8Å; D229-R232 PolarHBondContact OD1-N 3.25Å; D229-R232 IonicContact OD1-NH1 2.71Å; D229-R232 WeakPolarHBondContact OD2-CB 3.44Å; D229-R232 VanDerWaalsContact OD2-CD 3.26Å; D229-R232 WeakPolarHBondContact OD2-CD 3.42Å; D229-R232 WeakPolarHBondContact OD2-CG 3.23Å; D229-R232 IonicContact OD2-CZ 3.66Å; D229-R232 IonicContact OD2-NE 3.87Å; D229-R232 IonicContact OD2-NH1 2.64Å; D229-R232 PolarHBondContact OD2-NH1 3.22Å; D229-C233 WeakPolarHBondContact O-CA 3.46Å; D229-C233 PolarHBondContact O-N 3.32Å; D229-L234 HydrophobicContact CB-CB 4.01Å; D229-L234 PolarHBondContact N-O 3.45Å; D229-L234 PolarHBondContact O-N 3.31Å; D229-Y236 HydrophobicContact CB-CE2 4.09Å; D229-L286 VanDerWaalsContact CA-CD1 3.43Å; D229-L286 HydrophobicContact CB-CD1 3.31Å
230E82.9Confident76.8Confident77 Ų7725.1 Ų25.136%0.3614%0.143SC..THydrogen-bonded Turntrans-64.8-30.4178.6-72.8-174.3-134.400112.7R103 L164 V228 Y254R103-E230 IonicContact CZ-OE1 3.28Å; R103-E230 IonicContact CZ-OE2 2.74Å; R103-E230 IonicContact NH1-OE1 3.08Å; R103-E230 PolarHBondContact NH1-OE1 3.17Å; R103-E230 IonicContact NH1-OE2 3.19Å; R103-E230 VanDerWaalsContact NH2-CD 3.35Å; R103-E230 IonicContact NH2-OE1 3.28Å; R103-E230 PolarHBondContact NH2-OE1 3.21Å; R103-E230 IonicContact NH2-OE2 2.73Å; R103-E230 PolarHBondContact NH2-OE2 2.87Å; L164-E230 HydrophobicContact CD2-CG 4.16Å; V228-E230 HydrophobicContact CG1-CG 4.03Å; E230-Y254 WeakPolarHBondContact CA-OH 3.41Å; E230-Y254 PolarHBondContact O-OH 3.11Å
231S84.8Confident77.4Confident96 Ų9627.4 Ų27.467%0.67116%0.162SC*.THydrogen-bonded Turntrans-70.6-34.8-176.774.80000112.6D229D229-S231 PolarHBondContact O-N 3.41Å; D229-S231 WeakPolarHBondContact OD1-CB 3.33Å; D229-S231 PolarHBondContact OD1-N 3.32Å; D229-S231 PolarHBondContact OD1-OG 2.89Å
232R88Confident78.9Confident64 Ų6428 Ų2824%0.24216%0.16CC..THydrogen-bonded Turntrans-107.13.2-179.2-56.8-179-17288.3-2113.3D229 L234 D285 V318D229-R232 PolarHBondContact O-N 2.8Å; D229-R232 PolarHBondContact OD1-N 3.25Å; D229-R232 IonicContact OD1-NH1 2.71Å; D229-R232 WeakPolarHBondContact OD2-CB 3.44Å; D229-R232 VanDerWaalsContact OD2-CD 3.26Å; D229-R232 WeakPolarHBondContact OD2-CD 3.42Å; D229-R232 WeakPolarHBondContact OD2-CG 3.23Å; D229-R232 IonicContact OD2-CZ 3.66Å; D229-R232 IonicContact OD2-NE 3.87Å; D229-R232 IonicContact OD2-NH1 2.64Å; D229-R232 PolarHBondContact OD2-NH1 3.22Å; R232-L234 VanDerWaalsContact C-N 3.32Å; R232-L234 HydrophobicContact CB-CD1 3.89Å; R232-L234 HydrophobicContact CB-CG 3.96Å; R232-L234 PolarHBondContact O-N 3.46Å; R232-D285 PolarHBondContact NH1-O 3.42Å; R232-D285 PolarHBondContact NH2-O 3.31Å; R232-V318 WeakPolarHBondContact O-CG1 3.47Å
233C89.1Confident80.8Confident39 Ų3929.2 Ų29.226%0.26417%0.166SC..THydrogen-bonded Turntrans55.542.9-175.5-57.80000114.1D229 S253 Y254 A255D229-C233 WeakPolarHBondContact O-CA 3.46Å; D229-C233 PolarHBondContact O-N 3.32Å; C233-S253 VanDerWaalsContact O-CA 3.28Å; C233-S253 WeakPolarHBondContact O-CA 3.5Å; C233-S253 PolarHBondContact O-OG 3.26Å; C233-Y254 WeakPolarHBondContact CA-OH 3.37Å; C233-Y254 HydrophobicContact CB-CD2 4.29Å; C233-Y254 HydrophobicContact CB-CE1 4.13Å; C233-Y254 HydrophobicContact CB-CE2 3.82Å; C233-Y254 WeakPolarHBondContact O-CD1 3.38Å; C233-Y254 PolarHBondContact O-N 2.84Å; C233-Y254 VanDerWaalsContact O-N 3.14Å; C233-A255 HydrophobicContact CB-CB 3.62Å
234L90.6Very high82.7Confident0 Ų029.8 Ų29.80%017%0.171CC..EExtended strand (participates in β ladder)trans-115.1152.9-178.8-56.6171.8000112.1D229 R232 Y236 V251 T252 F309 V318 I320 P321D229-L234 HydrophobicContact CB-CB 4.01Å; D229-L234 PolarHBondContact N-O 3.45Å; D229-L234 PolarHBondContact O-N 3.31Å; R232-L234 VanDerWaalsContact C-N 3.32Å; R232-L234 HydrophobicContact CB-CD1 3.89Å; R232-L234 HydrophobicContact CB-CG 3.96Å; R232-L234 PolarHBondContact O-N 3.46Å; L234-Y236 HydrophobicContact CB-CE2 4.27Å; L234-V251 HydrophobicContact CB-CG2 3.93Å; L234-V251 HydrophobicContact CD1-CG2 4.17Å; L234-V251 HydrophobicContact CD2-CG2 4.11Å; L234-V251 HydrophobicContact CG-CG2 4.31Å; L234-T252 CarbonylContact C-O 3.53Å; L234-T252 WeakPolarHBondContact CA-O 3.45Å; L234-F309 HydrophobicContact CD1-CE1 4.26Å; L234-V318 HydrophobicContact CD2-CG1 3.62Å; L234-V318 HydrophobicContact CG-CG1 4.42Å; L234-I320 HydrophobicContact CD2-CD1 3.76Å; L234-P321 HydrophobicContact CD1-CG 4.34Å
235I88.7Confident84.3Confident0 Ų030.1 Ų30.10%017%0.173CC..EExtended strand (participates in β ladder)trans-126.6124169.8-66.5151.8000108.3I175 L186 L219 I226 E227 V228 F237 V251 T252 Y254I175-I235 HydrophobicContact CD1-CD1 3.49Å; I175-I235 VanDerWaalsContact CD1-CD1 3.49Å; I175-I235 HydrophobicContact CD1-CG1 3.86Å; I175-I235 HydrophobicContact CG1-CD1 4.32Å; L186-I235 HydrophobicContact CD1-CG2 3.81Å; L219-I235 HydrophobicContact CD1-CD1 3.4Å; I226-I235 HydrophobicContact CG2-CG2 3.49Å; I226-I235 VanDerWaalsContact CG2-CG2 3.49Å; E227-I235 WeakPolarHBondContact O-CA 3.32Å; V228-I235 HydrophobicContact CG1-CG1 4.47Å; V228-I235 HydrophobicContact CG2-CG1 4.27Å; I235-F237 HydrophobicContact CG2-CD1 4.19Å; I235-V251 VanDerWaalsContact O-CA 3.3Å; I235-V251 WeakPolarHBondContact O-CA 3.3Å; I235-T252 HydrophobicContact CB-CG2 4.5Å; I235-T252 PolarHBondContact N-O 3.24Å; I235-T252 PolarHBondContact O-N 2.75Å; I235-Y254 HydrophobicContact CD1-CD1 3.65Å; I235-Y254 HydrophobicContact CD1-CG 4.17Å; I235-Y254 HydrophobicContact CG1-CD1 3.73Å; I235-Y254 HydrophobicContact CG1-CE1 4.34Å
236Y87.7Confident85.9Confident0 Ų029.2 Ų29.20%017%0.168CC..EExtended strand (participates in β ladder)trans-96.3137.8171.6-59.5-95.9000109.4I226 E227 D229 L234 Y250 V251 L264 F282 L286 P321I226-Y236 WeakPolarHBondContact CA-O 3.28Å; E227-Y236 PolarHBondContact N-O 2.8Å; E227-Y236 PolarHBondContact O-N 2.89Å; D229-Y236 HydrophobicContact CB-CE2 4.09Å; L234-Y236 HydrophobicContact CB-CE2 4.27Å; Y236-Y250 CarbonylContact C-O 3.58Å; Y236-Y250 VanDerWaalsContact CA-O 3.29Å; Y236-Y250 WeakPolarHBondContact CA-O 3.32Å; Y236-V251 HydrophobicContact CD1-CB 4.02Å; Y236-V251 HydrophobicContact CD1-CG2 4.01Å; Y236-V251 HydrophobicContact CE1-CB 4.14Å; Y236-V251 HydrophobicContact CE1-CG2 3.89Å; Y236-V251 HydrophobicContact CG-CG2 4.41Å; Y236-L264 HydrophobicContact CD1-CD1 3.67Å; Y236-L264 HydrophobicContact CE1-CD1 3.76Å; Y236-F282 AromaticContact CD1-CE1 3.93Å; Y236-F282 HydrophobicContact CD1-CE1 3.93Å; Y236-F282 AromaticContact CD1-CZ 3.53Å; Y236-F282 HydrophobicContact CD1-CZ 3.53Å; Y236-F282 HydrophobicContact CD2-CE1 4.4Å; Y236-F282 HydrophobicContact CD2-CZ 4.1Å; Y236-F282 AromaticContact CE1-CE1 3.96Å; Y236-F282 HydrophobicContact CE1-CE1 3.96Å; Y236-F282 HydrophobicContact CE1-CZ 4.05Å; Y236-F282 HydrophobicContact CE2-CE1 4.46Å; Y236-F282 HydrophobicContact CG-CE1 4.15Å; Y236-F282 HydrophobicContact CG-CE2 4.21Å; Y236-F282 AromaticContact CG-CZ 3.54Å; Y236-F282 HydrophobicContact CG-CZ 3.54Å; Y236-L286 HydrophobicContact CE2-CD1 4.43Å; Y236-P321 HydrophobicContact CE1-CG 3.96Å
237F85.7Confident87Confident0 Ų028.8 Ų28.80%017%0.166CC..EExtended strand (participates in β ladder)trans-156150.6-177.164.2-87.7000114.1T220 W224 D225 I235 A239 I249 Y250 T252 P261T220-F237 HydrophobicContact CG2-CD1 4.09Å; T220-F237 HydrophobicContact CG2-CE1 3.51Å; T220-F237 HydrophobicContact CG2-CE2 4.05Å; T220-F237 HydrophobicContact CG2-CZ 3.46Å; T220-F237 VanDerWaalsContact CG2-CZ 3.46Å; W224-F237 HydrophobicContact CB-CB 3.89Å; W224-F237 HydrophobicContact CB-CD2 4.02Å; W224-F237 HydrophobicContact CB-CG 4.38Å; W224-F237 AromaticContact CD2-CD2 3.49Å; W224-F237 HydrophobicContact CD2-CD2 3.49Å; W224-F237 VanDerWaalsContact CD2-CD2 3.49Å; W224-F237 AromaticContact CD2-CE2 3.82Å; W224-F237 HydrophobicContact CD2-CE2 3.82Å; W224-F237 AromaticContact CE2-CD2 3.67Å; W224-F237 AromaticContact CE2-CE2 3.56Å; W224-F237 AromaticContact CE3-CD2 3.97Å; W224-F237 HydrophobicContact CE3-CD2 3.97Å; W224-F237 HydrophobicContact CE3-CE2 4.19Å; W224-F237 HydrophobicContact CG-CB 4.34Å; W224-F237 AromaticContact CG-CD2 3.66Å; W224-F237 HydrophobicContact CG-CD2 3.66Å; W224-F237 HydrophobicContact CG-CE2 4.37Å; W224-F237 HydrophobicContact CG-CG 4.32Å; W224-F237 HydrophobicContact CH2-CD2 4.37Å; W224-F237 AromaticContact CH2-CE2 3.77Å; W224-F237 HydrophobicContact CH2-CE2 3.77Å; W224-F237 AromaticContact CZ2-CD2 3.98Å; W224-F237 HydrophobicContact CZ2-CD2 3.98Å; W224-F237 AromaticContact CZ2-CE2 3.38Å; W224-F237 HydrophobicContact CZ2-CE2 3.38Å; W224-F237 HydrophobicContact CZ2-CZ 4.26Å; W224-F237 HydrophobicContact CZ3-CE2 4.3Å; D225-F237 WeakPolarHBondContact O-CA 3.33Å; D225-F237 WeakPolarHBondContact O-CB 3.38Å; I235-F237 HydrophobicContact CG2-CD1 4.19Å; F237-A239 HydrophobicContact CD2-CB 3.97Å; F237-A239 HydrophobicContact CE2-CB 3.93Å; F237-I249 WeakPolarHBondContact O-CA 3.42Å; F237-Y250 HydrophobicContact CE2-CD2 4.49Å; F237-Y250 HydrophobicContact CE2-CG 4.4Å; F237-Y250 PolarHBondContact N-O 2.92Å; F237-Y250 PolarHBondContact O-N 3.45Å; F237-T252 HydrophobicContact CE1-CG2 3.93Å; F237-P261 HydrophobicContact CE1-CB 4.25Å; F237-P261 HydrophobicContact CE1-CG 4.43Å; F237-P261 HydrophobicContact CZ-CB 3.63Å; F237-P261 HydrophobicContact CZ-CG 3.73Å
238L84.6Confident87.8Confident0 Ų026.2 Ų26.20%015%0.154CC..EExtended strand (participates in β ladder)trans-89.2140.3177.9-174.269.8000110.9W224 D225 H248 I249 Y271 P274 C279 M280W224-L238 WeakPolarHBondContact CA-O 3.39Å; W224-L238 WeakPolarHBondContact CB-O 3.38Å; D225-L238 HydrophobicContact CB-CB 4.46Å; D225-L238 PolarHBondContact O-N 3.31Å; L238-H248 CarbonylContact C-O 3.47Å; L238-H248 WeakPolarHBondContact CA-O 3.46Å; L238-H248 WeakPolarHBondContact CD1-O 3.35Å; L238-I249 HydrophobicContact CD1-CG1 3.99Å; L238-Y271 WeakPolarHBondContact CD1-O 3.48Å; L238-P274 HydrophobicContact CD2-CG 4.27Å; L238-C279 HydrophobicContact CD2-CB 4.04Å; L238-M280 HydrophobicContact CB-CE 3.75Å
239A85Confident88.2Confident0 Ų025.4 Ų25.40%015%0.149CC..EExtended strand (participates in β ladder)trans-161.1147.8-162.800000116.7W224 F237 S247 H248 Y250W224-A239 HydrophobicContact CD2-CB 4.09Å; W224-A239 HydrophobicContact CE3-CB 3.11Å; W224-A239 HydrophobicContact CH2-CB 3.39Å; W224-A239 HydrophobicContact CZ2-CB 4.34Å; W224-A239 HydrophobicContact CZ3-CB 2.8Å; F237-A239 HydrophobicContact CD2-CB 3.97Å; F237-A239 HydrophobicContact CE2-CB 3.93Å; A239-S247 CarbonylContact O-C 3.6Å; A239-S247 WeakPolarHBondContact O-CA 3.38Å; A239-H248 PolarHBondContact N-O 3.49Å; A239-H248 PolarHBondContact O-N 2.93Å; A239-Y250 HydrophobicContact CB-CD2 3.32Å; A239-Y250 HydrophobicContact CB-CE2 3.23Å; A239-Y250 HydrophobicContact CB-CG 4.35Å
240V87.3Confident88.5Confident23 Ų2325.5 Ų25.514%0.13915%0.149CC..EExtended strand (participates in β ladder)trans-10236174.2-64.20000113T243 E246 P274 N454V240-T243 CarbonylContact O-C 3.31Å; V240-E246 WeakPolarHBondContact CA-O 3.43Å; V240-P274 HydrophobicContact CG1-CG 4.29Å; V240-N454 HydrophobicContact CG1-CB 4.47Å; V240-N454 HydrophobicContact CG2-CB 4.24Å
241A86.8Confident88.9Confident53 Ų5321.9 Ų21.944%0.43813%0.132SC..EExtended strand (participates in β ladder)trans-74.6-35.3-169.600000113.8W224 Y250W224-A241 HydrophobicContact CH2-CB 4.33Å; A241-Y250 HydrophobicContact CB-CE1 4.07Å; A241-Y250 HydrophobicContact CB-CE2 4.37Å
242D91.2Very high89.2Confident75 Ų7517.3 Ų17.340%0.40110%0.1SC..EExtended strand (participates in β ladder)trans-74.7-36.8176.8-73.2-122.6000111.3Y250 R263 L267D242-Y250 PolarHBondContact N-OH 3.29Å; D242-Y250 VanDerWaalsContact N-OH 3.16Å; D242-Y250 VanDerWaalsContact OD2-CE1 3.3Å; D242-Y250 WeakPolarHBondContact OD2-CE1 3.27Å; D242-Y250 VanDerWaalsContact OD2-CZ 3.23Å; D242-Y250 PolarHBondContact OD2-OH 3.01Å; D242-R263 VanDerWaalsContact CG-NE 3.32Å; D242-R263 IonicContact OD1-CZ 2.71Å; D242-R263 VanDerWaalsContact OD1-CZ 3.31Å; D242-R263 IonicContact OD1-NE 2.87Å; D242-R263 PolarHBondContact OD1-NE 3.3Å; D242-R263 IonicContact OD1-NH2 3.78Å; D242-R263 PolarHBondContact OD1-NH2 3.24Å; D242-R263 IonicContact OD2-NE 2.86Å; D242-R263 PolarHBondContact OD2-NE 3.19Å; D242-L267 HydrophobicContact CB-CD2 4.12Å
243T91.2Very high89.3Confident35 Ų3514.3 Ų14.322%0.2159%0.089CC..EExtended strand (participates in β ladder)trans-162145.5178.6169.60000110.8V240 L245 E246V240-T243 CarbonylContact O-C 3.31Å; T243-L245 PolarHBondContact O-N 3.18Å; T243-L245 VanDerWaalsContact O-N 3.08Å; T243-L245 PolarHBondContact OG1-N 3.3Å; T243-E246 HydrophobicContact CG2-CB 3.56Å; T243-E246 HydrophobicContact CG2-CG 3.6Å; T243-E246 PolarHBondContact O-N 2.53Å; T243-E246 VanDerWaalsContact O-O 3.1Å
244P89.6Confident89.2Confident24 Ų2413.6 Ų13.616%0.1568%0.081CC..THydrogen-bonded Turntrans-64.5-11.1174.427.2-35.2000113.7Y394 Q422P244-Y394 HydrophobicContact CB-CE2 4.38Å; P244-Y394 HydrophobicContact CG-CD2 4.08Å; P244-Y394 HydrophobicContact CG-CE1 4.45Å; P244-Y394 HydrophobicContact CG-CE2 3.37Å; P244-Q422 PolarHBondContact O-NE2 3.5Å
245L91.2Very high89Confident17 Ų1716.1 Ų16.19%0.08910%0.101CC..THydrogen-bonded Turntrans-90.3-17.9-179-56.8-177.5000113.7T243 I383 Y394 V424 N426T243-L245 PolarHBondContact O-N 3.18Å; T243-L245 VanDerWaalsContact O-N 3.08Å; T243-L245 PolarHBondContact OG1-N 3.3Å; L245-I383 HydrophobicContact CD1-CD1 4.06Å; L245-I383 HydrophobicContact CD1-CG2 4.39Å; L245-Y394 HydrophobicContact CD1-CD1 4.01Å; L245-Y394 HydrophobicContact CD1-CE1 4.32Å; L245-Y394 HydrophobicContact CD2-CD1 3.91Å; L245-Y394 HydrophobicContact CD2-CG 3.88Å; L245-Y394 HydrophobicContact CG-CD1 4.14Å; L245-Y394 HydrophobicContact CG-CE1 4.42Å; L245-V424 HydrophobicContact CD2-CG1 4.11Å; L245-V424 VanDerWaalsContact CD2-O 3.32Å; L245-V424 WeakPolarHBondContact CD2-O 3.34Å; L245-N426 PolarHBondContact O-N 3.28Å
246E91.5Very high88.8Confident23 Ų2319.8 Ų19.811%0.10712%0.121CC..EExtended strand (participates in β ladder)trans-127.7130.1-173.8-56.9-171.9158.700110.2V240 T243 H248 G268 N426V240-E246 WeakPolarHBondContact CA-O 3.43Å; T243-E246 HydrophobicContact CG2-CB 3.56Å; T243-E246 HydrophobicContact CG2-CG 3.6Å; T243-E246 PolarHBondContact O-N 2.53Å; T243-E246 VanDerWaalsContact O-O 3.1Å; E246-H248 WeakPolarHBondContact CB-NE2 3.43Å; E246-H248 IonicContact OE2-CE1 2.88Å; E246-H248 IonicContact OE2-NE2 2.94Å; E246-H248 PolarHBondContact OE2-NE2 2.87Å; E246-G268 WeakPolarHBondContact OE1-CA 3.28Å; E246-G268 PolarHBondContact OE1-N 3.12Å; E246-G268 PolarHBondContact OE2-N 3.22Å; E246-N426 HydrophobicContact CG-CB 3.92Å; E246-N426 PolarHBondContact OE1-ND2 3.36Å
247S89Confident88Confident3 Ų323.5 Ų23.52%0.02115%0.145CC..EExtended strand (participates in β ladder)trans-96.1126.7170.260.50000110.2A239 Y271 G272A239-S247 CarbonylContact O-C 3.6Å; A239-S247 WeakPolarHBondContact O-CA 3.38Å; S247-Y271 PolarHBondContact O-N 3.37Å; S247-Y271 PolarHBondContact OG-N 2.76Å; S247-G272 PolarHBondContact OG-O 2.8Å
248H91.5Very high87.7Confident0 Ų026.8 Ų26.80%018%0.179CC..EExtended strand (participates in β ladder)trans-125.1157.7-178.5-71.5-59.6000111.5L238 A239 E246 Y250 R263 T265 E266 Y269 Y271L238-H248 CarbonylContact C-O 3.47Å; L238-H248 WeakPolarHBondContact CA-O 3.46Å; L238-H248 WeakPolarHBondContact CD1-O 3.35Å; A239-H248 PolarHBondContact N-O 3.49Å; A239-H248 PolarHBondContact O-N 2.93Å; E246-H248 WeakPolarHBondContact CB-NE2 3.43Å; E246-H248 IonicContact OE2-CE1 2.88Å; E246-H248 IonicContact OE2-NE2 2.94Å; E246-H248 PolarHBondContact OE2-NE2 2.87Å; H248-Y250 HydrophobicContact CB-CD2 4.2Å; H248-Y250 HydrophobicContact CB-CE2 3.39Å; H248-Y250 VanDerWaalsContact O-CD2 3.24Å; H248-Y250 WeakPolarHBondContact O-CD2 3.16Å; H248-Y250 VanDerWaalsContact O-CE2 3.25Å; H248-Y250 WeakPolarHBondContact O-CE2 3.41Å; H248-R263 HydrophobicContact CB-CG 4.16Å; H248-T265 WeakPolarHBondContact CA-OG1 3.25Å; H248-T265 WeakPolarHBondContact CB-OG1 3.37Å; H248-T265 PolarHBondContact ND1-OG1 3.08Å; H248-E266 PolarHBondContact CE1-O 3.11Å; H248-E266 PolarHBondContact ND1-O 2.85Å; H248-Y269 PolarHBondContact CE1-O 3.33Å; H248-Y271 AromaticContact ND1-CD2 3.66Å; H248-Y271 AromaticContact ND1-CE2 3.84Å
249I90.4Very high87.8Confident0 Ų028.6 Ų28.60%019%0.188CC..EExtended strand (participates in β ladder)trans-94.2131.1176.3-56.3172.4000108.1F237 L238 L264 T265 M280 M289 T291F237-I249 WeakPolarHBondContact O-CA 3.42Å; L238-I249 HydrophobicContact CD1-CG1 3.99Å; I249-L264 HydrophobicContact CG2-CD1 4.3Å; I249-L264 PolarHBondContact O-N 2.82Å; I249-T265 HydrophobicContact CB-CG2 3.87Å; I249-T265 HydrophobicContact CD1-CG2 4.14Å; I249-T265 HydrophobicContact CG1-CG2 4.03Å; I249-T265 PolarHBondContact N-OG1 2.86Å; I249-T265 VanDerWaalsContact N-OG1 3.16Å; I249-M280 HydrophobicContact CB-CE 4.41Å; I249-M280 HydrophobicContact CD1-CB 4.02Å; I249-M280 HydrophobicContact CD1-CE 4.16Å; I249-M280 HydrophobicContact CG1-CE 3.83Å; I249-M280 HydrophobicContact CG2-CE 3.92Å; I249-M280 HydrophobicContact CG2-SD 3.92Å; I249-M289 HydrophobicContact CD1-CE 3.5Å; I249-M289 VanDerWaalsContact CD1-CE 3.5Å; I249-M289 HydrophobicContact CD1-SD 3.65Å; I249-M289 HydrophobicContact CG2-CE 4.36Å; I249-M289 HydrophobicContact CG2-SD 3.93Å; I249-T291 HydrophobicContact CD1-CG2 3.95Å
250Y91.1Very high87.9Confident7 Ų737.3 Ų37.33%0.02723%0.226CC..EExtended strand (participates in β ladder)trans-125.8162.9-179.9-58.9-110.4000109.9Y236 F237 A239 A241 D242 H248 P261 I262 R263Y236-Y250 CarbonylContact C-O 3.58Å; Y236-Y250 VanDerWaalsContact CA-O 3.29Å; Y236-Y250 WeakPolarHBondContact CA-O 3.32Å; F237-Y250 HydrophobicContact CE2-CD2 4.49Å; F237-Y250 HydrophobicContact CE2-CG 4.4Å; F237-Y250 PolarHBondContact N-O 2.92Å; F237-Y250 PolarHBondContact O-N 3.45Å; A239-Y250 HydrophobicContact CB-CD2 3.32Å; A239-Y250 HydrophobicContact CB-CE2 3.23Å; A239-Y250 HydrophobicContact CB-CG 4.35Å; A241-Y250 HydrophobicContact CB-CE1 4.07Å; A241-Y250 HydrophobicContact CB-CE2 4.37Å; D242-Y250 PolarHBondContact N-OH 3.29Å; D242-Y250 VanDerWaalsContact N-OH 3.16Å; D242-Y250 VanDerWaalsContact OD2-CE1 3.3Å; D242-Y250 WeakPolarHBondContact OD2-CE1 3.27Å; D242-Y250 VanDerWaalsContact OD2-CZ 3.23Å; D242-Y250 PolarHBondContact OD2-OH 3.01Å; H248-Y250 HydrophobicContact CB-CD2 4.2Å; H248-Y250 HydrophobicContact CB-CE2 3.39Å; H248-Y250 VanDerWaalsContact O-CD2 3.24Å; H248-Y250 WeakPolarHBondContact O-CD2 3.16Å; H248-Y250 VanDerWaalsContact O-CE2 3.25Å; H248-Y250 WeakPolarHBondContact O-CE2 3.41Å; Y250-P261 HydrophobicContact CD1-CB 4.19Å; Y250-P261 HydrophobicContact CG-CB 4.49Å; Y250-I262 CarbonylContact C-O 3.15Å; Y250-I262 WeakPolarHBondContact CA-O 3.46Å; Y250-I262 WeakPolarHBondContact CB-O 3.44Å; Y250-R263 HydrophobicContact CD1-CB 3.76Å; Y250-R263 HydrophobicContact CE1-CB 3.61Å; Y250-R263 HydrophobicContact CE1-CG 4.18Å
251V91.6Very high88Confident0 Ų038 Ų380%023%0.23CC..EExtended strand (participates in β ladder)trans-129.1141.917165.80000109.7L234 I235 Y236 P261 I262 L264 I320 P321L234-V251 HydrophobicContact CB-CG2 3.93Å; L234-V251 HydrophobicContact CD1-CG2 4.17Å; L234-V251 HydrophobicContact CD2-CG2 4.11Å; L234-V251 HydrophobicContact CG-CG2 4.31Å; I235-V251 VanDerWaalsContact O-CA 3.3Å; I235-V251 WeakPolarHBondContact O-CA 3.3Å; Y236-V251 HydrophobicContact CD1-CB 4.02Å; Y236-V251 HydrophobicContact CD1-CG2 4.01Å; Y236-V251 HydrophobicContact CE1-CB 4.14Å; Y236-V251 HydrophobicContact CE1-CG2 3.89Å; Y236-V251 HydrophobicContact CG-CG2 4.41Å; V251-P261 CarbonylContact O-C 3.46Å; V251-P261 WeakPolarHBondContact O-CA 3.44Å; V251-I262 HydrophobicContact CG1-CB 4.08Å; V251-I262 PolarHBondContact N-O 3.23Å; V251-I262 PolarHBondContact O-N 3.07Å; V251-L264 HydrophobicContact CB-CD1 4.2Å; V251-L264 HydrophobicContact CB-CG 4.48Å; V251-L264 HydrophobicContact CG1-CD1 4.36Å; V251-L264 HydrophobicContact CG1-CD2 3.89Å; V251-L264 HydrophobicContact CG1-CG 4.21Å; V251-I320 HydrophobicContact CG1-CG2 4.39Å; V251-P321 HydrophobicContact CB-CG 4.35Å; V251-P321 HydrophobicContact CG1-CG 3.92Å; V251-P321 HydrophobicContact CG2-CG 4.12Å
252T91.5Very high88.3Confident1 Ų138.7 Ų38.71%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-137.6164.7166.9-163.60000109.9T220 L234 I235 F237 M259T220-T252 HydrophobicContact CG2-CG2 3.99Å; L234-T252 CarbonylContact C-O 3.53Å; L234-T252 WeakPolarHBondContact CA-O 3.45Å; I235-T252 HydrophobicContact CB-CG2 4.5Å; I235-T252 PolarHBondContact N-O 3.24Å; I235-T252 PolarHBondContact O-N 2.75Å; F237-T252 HydrophobicContact CE1-CG2 3.93Å; T252-M259 PolarHBondContact OG1-O 3.26Å
253S90.2Very high88.3Confident1 Ų139 Ų391%0.00722%0.222CC..EExtended strand (participates in β ladder)trans-98.7137.3172.1-176.60000111.4C233 A255 L256C233-S253 VanDerWaalsContact O-CA 3.28Å; C233-S253 WeakPolarHBondContact O-CA 3.5Å; C233-S253 PolarHBondContact O-OG 3.26Å; S253-A255 PolarHBondContact OG-N 2.82Å; S253-L256 PolarHBondContact OG-N 3.05Å
254Y86.9Confident88.4Confident24 Ų2438 Ų389%0.09422%0.215CC..SBendtrans-90.7-7.7167.863-97.9000113.4L164 V228 E230 C233 I235L164-Y254 HydrophobicContact CD1-CE2 4.33Å; V228-Y254 HydrophobicContact CG1-CE1 4.07Å; E230-Y254 WeakPolarHBondContact CA-OH 3.41Å; E230-Y254 PolarHBondContact O-OH 3.11Å; C233-Y254 WeakPolarHBondContact CA-OH 3.37Å; C233-Y254 HydrophobicContact CB-CD2 4.29Å; C233-Y254 HydrophobicContact CB-CE1 4.13Å; C233-Y254 HydrophobicContact CB-CE2 3.82Å; C233-Y254 WeakPolarHBondContact O-CD1 3.38Å; C233-Y254 PolarHBondContact O-N 2.84Å; C233-Y254 VanDerWaalsContact O-N 3.14Å; I235-Y254 HydrophobicContact CD1-CD1 3.65Å; I235-Y254 HydrophobicContact CD1-CG 4.17Å; I235-Y254 HydrophobicContact CG1-CD1 3.73Å; I235-Y254 HydrophobicContact CG1-CE1 4.34Å
255A86.1Confident88.5Confident52 Ų5237.1 Ų37.143%0.4321%0.209SC..SBendtrans-81.2-21.2169.800000112.5C233 S253 P257 V318C233-A255 HydrophobicContact CB-CB 3.62Å; S253-A255 PolarHBondContact OG-N 2.82Å; A255-P257 VanDerWaalsContact C-CD 3.42Å; A255-P257 VanDerWaalsContact O-CD 3.24Å; A255-P257 WeakPolarHBondContact O-CD 3.33Å; A255-V318 HydrophobicContact CB-CG2 4.08Å
256L85Confident88.6Confident78 Ų7840.6 Ų40.641%0.40823%0.225SC..SBendtrans-117.477.8177.4-62.1175.3000111.6S253 G258 M259 V318S253-L256 PolarHBondContact OG-N 3.05Å; L256-G258 PolarHBondContact O-N 3.49Å; L256-M259 HydrophobicContact CB-CB 4.27Å; L256-M259 WeakPolarHBondContact O-CB 3.49Å; L256-M259 PolarHBondContact O-N 2.95Å; L256-V318 HydrophobicContact CD1-CB 4.01Å; L256-V318 HydrophobicContact CD1-CG2 3.61Å; L256-V318 HydrophobicContact CG-CG2 3.73Å
257P71.7Confident88.7Confident78 Ų7844 Ų4451%0.50624%0.243SC..THydrogen-bonded Turntrans-46122.2172.2-31.737.5000112.8V217 A255V217-P257 HydrophobicContact CG1-CB 3.54Å; V217-P257 HydrophobicContact CG1-CG 3.86Å; V217-P257 HydrophobicContact CG2-CG 4.45Å; A255-P257 VanDerWaalsContact C-CD 3.42Å; A255-P257 VanDerWaalsContact O-CD 3.24Å; A255-P257 WeakPolarHBondContact O-CD 3.33Å
258G79Confident88.8Confident69 Ų6945.2 Ų45.271%0.71126%0.256SS*.THydrogen-bonded Turntrans95-3.418000000115.3L256 K260L256-G258 PolarHBondContact O-N 3.49Å; G258-K260 PolarHBondContact O-N 2.94Å
259M85.8Confident88.8Confident38 Ų3847.9 Ų47.919%0.18727%0.267CS..PPolyproline II helixtrans-55.9126.2166.2-178.8-175.6166.200109.6T252 L256 I262 I320T252-M259 PolarHBondContact OG1-O 3.26Å; L256-M259 HydrophobicContact CB-CB 4.27Å; L256-M259 WeakPolarHBondContact O-CB 3.49Å; L256-M259 PolarHBondContact O-N 2.95Å; M259-I262 HydrophobicContact CE-CD1 3.34Å; M259-I262 HydrophobicContact CE-CG1 3.93Å; M259-I320 HydrophobicContact CE-CD1 3.45Å; M259-I320 VanDerWaalsContact CE-CD1 3.45Å; M259-I320 HydrophobicContact CE-CG1 3.8Å; M259-I320 HydrophobicContact CE-CG2 4.45Å; M259-I320 HydrophobicContact SD-CD1 3.81Å
260K87Confident88.7Confident182 Ų18248 Ų4879%0.79127%0.267SS*.PPolyproline II helixtrans-68.8132.9173.8-71.5-172179-177.40109.4G258 I262G258-K260 PolarHBondContact O-N 2.94Å; K260-I262 PolarHBondContact O-N 3.04Å
261P89.7Confident88.4Confident37 Ų3747.6 Ų47.624%0.2427%0.266CS..PPolyproline II helixtrans-54.5139.2173.5-27.635.4000112.6F237 Y250 V251F237-P261 HydrophobicContact CE1-CB 4.25Å; F237-P261 HydrophobicContact CE1-CG 4.43Å; F237-P261 HydrophobicContact CZ-CB 3.63Å; F237-P261 HydrophobicContact CZ-CG 3.73Å; Y250-P261 HydrophobicContact CD1-CB 4.19Å; Y250-P261 HydrophobicContact CG-CB 4.49Å; V251-P261 CarbonylContact O-C 3.46Å; V251-P261 WeakPolarHBondContact O-CA 3.44Å
262I92.3Very high87.5Confident69 Ų6948.3 Ų48.335%0.35427%0.273SS..EExtended strand (participates in β ladder)trans-105.8125.8179.3-65.2170.9000108.5Y250 V251 M259 K260 I320Y250-I262 CarbonylContact C-O 3.15Å; Y250-I262 WeakPolarHBondContact CA-O 3.46Å; Y250-I262 WeakPolarHBondContact CB-O 3.44Å; V251-I262 HydrophobicContact CG1-CB 4.08Å; V251-I262 PolarHBondContact N-O 3.23Å; V251-I262 PolarHBondContact O-N 3.07Å; M259-I262 HydrophobicContact CE-CD1 3.34Å; M259-I262 HydrophobicContact CE-CG1 3.93Å; K260-I262 PolarHBondContact O-N 3.04Å; I262-I320 HydrophobicContact CD1-CG1 4.49Å; I262-I320 HydrophobicContact CD1-CG2 3.55Å
263R92.9Very high86.2Confident81 Ų8149.3 Ų49.331%0.30628%0.279SS..EExtended strand (participates in β ladder)trans-72.9132.2176.3179.5160.950.290.6-6110.9D242 H248 Y250 T265 L267D242-R263 VanDerWaalsContact CG-NE 3.32Å; D242-R263 IonicContact OD1-CZ 2.71Å; D242-R263 VanDerWaalsContact OD1-CZ 3.31Å; D242-R263 IonicContact OD1-NE 2.87Å; D242-R263 PolarHBondContact OD1-NE 3.3Å; D242-R263 IonicContact OD1-NH2 3.78Å; D242-R263 PolarHBondContact OD1-NH2 3.24Å; D242-R263 IonicContact OD2-NE 2.86Å; D242-R263 PolarHBondContact OD2-NE 3.19Å; H248-R263 HydrophobicContact CB-CG 4.16Å; Y250-R263 HydrophobicContact CD1-CB 3.76Å; Y250-R263 HydrophobicContact CE1-CB 3.61Å; Y250-R263 HydrophobicContact CE1-CG 4.18Å; R263-T265 WeakPolarHBondContact CD-O 3.34Å; R263-T265 WeakPolarHBondContact CG-O 3.15Å; R263-T265 PolarHBondContact NH1-O 3.15Å; R263-L267 VanDerWaalsContact CZ-CG 3.5Å; R263-L267 VanDerWaalsContact NH2-CD2 3.34Å; R263-L267 VanDerWaalsContact NH2-CG 3.28Å
264L92.8Very high84.5Confident14 Ų1449.6 Ų49.67%0.07328%0.281CS..  trans-99.3-17.3178-60.5-178.4000113.4Y236 I249 V251 F307 P321Y236-L264 HydrophobicContact CD1-CD1 3.67Å; Y236-L264 HydrophobicContact CE1-CD1 3.76Å; I249-L264 HydrophobicContact CG2-CD1 4.3Å; I249-L264 PolarHBondContact O-N 2.82Å; V251-L264 HydrophobicContact CB-CD1 4.2Å; V251-L264 HydrophobicContact CB-CG 4.48Å; V251-L264 HydrophobicContact CG1-CD1 4.36Å; V251-L264 HydrophobicContact CG1-CD2 3.89Å; V251-L264 HydrophobicContact CG1-CG 4.21Å; L264-F307 HydrophobicContact CB-CE1 4.43Å; L264-F307 HydrophobicContact CD1-CE1 4.05Å; L264-F307 HydrophobicContact CD1-CZ 3.9Å; L264-F307 HydrophobicContact CD2-CE1 4.3Å; L264-P321 HydrophobicContact CD2-CG 4.32Å
265T92.3Very high82.9Confident5 Ų553.4 Ų53.43%0.03130%0.295CS..SBendtrans-108155.4-174.250.50000112.8H248 I249 R263 Y271 Y305H248-T265 WeakPolarHBondContact CA-OG1 3.25Å; H248-T265 WeakPolarHBondContact CB-OG1 3.37Å; H248-T265 PolarHBondContact ND1-OG1 3.08Å; I249-T265 HydrophobicContact CB-CG2 3.87Å; I249-T265 HydrophobicContact CD1-CG2 4.14Å; I249-T265 HydrophobicContact CG1-CG2 4.03Å; I249-T265 PolarHBondContact N-OG1 2.86Å; I249-T265 VanDerWaalsContact N-OG1 3.16Å; R263-T265 WeakPolarHBondContact CD-O 3.34Å; R263-T265 WeakPolarHBondContact CG-O 3.15Å; R263-T265 PolarHBondContact NH1-O 3.15Å; T265-Y271 HydrophobicContact CG2-CD1 3.44Å; T265-Y271 VanDerWaalsContact CG2-CD1 3.44Å; T265-Y271 HydrophobicContact CG2-CD2 4Å; T265-Y271 HydrophobicContact CG2-CE1 3.62Å; T265-Y271 HydrophobicContact CG2-CE2 4.18Å; T265-Y271 HydrophobicContact CG2-CG 3.63Å; T265-Y305 HydrophobicContact CG2-CE2 4.3Å
266E91.7Very high81.4Confident90 Ų9055.2 Ų55.242%0.42130%0.295SS..  trans-75.4152.2-179.8-60.1170.5165.300111.6H248 Y271 R293H248-E266 PolarHBondContact CE1-O 3.11Å; H248-E266 PolarHBondContact ND1-O 2.85Å; E266-Y271 PolarHBondContact N-OH 2.72Å; E266-Y271 VanDerWaalsContact O-CE2 3.29Å; E266-Y271 WeakPolarHBondContact O-CE2 3.48Å; E266-R293 IonicContact OE2-NH1 2.87Å; E266-R293 PolarHBondContact OE2-NH1 3.26Å; E266-R293 VanDerWaalsContact OE2-NH1 3.1Å
267L93.8Very high79.9Confident95 Ų9558.2 Ų58.250%0.49730%0.304SS..THydrogen-bonded Turntrans-72.7161.5173.1-68.9179.2000111.3D242 R263D242-L267 HydrophobicContact CB-CD2 4.12Å; R263-L267 VanDerWaalsContact CZ-CG 3.5Å; R263-L267 VanDerWaalsContact NH2-CD2 3.34Å; R263-L267 VanDerWaalsContact NH2-CG 3.28Å
268G91.8Very high79.3Confident28 Ų2859.5 Ų59.529%0.28930%0.302SS..THydrogen-bonded Turntrans91.93.4174.700000114.3E246 N295 N426E246-G268 WeakPolarHBondContact OE1-CA 3.28Å; E246-G268 PolarHBondContact OE1-N 3.12Å; E246-G268 PolarHBondContact OE2-N 3.22Å; G268-N295 WeakPolarHBondContact O-CB 3.29Å; G268-N295 PolarHBondContact O-ND2 2.73Å; G268-N426 PolarHBondContact O-ND2 3.34Å; G268-N426 VanDerWaalsContact O-ND2 3.1Å
269Y90.3Very high78.7Confident56 Ų5657 Ų5722%0.2227%0.274CS..SBendtrans-141.6150.9177.3-60.6-91.6000110.8H248 Y271 R293 S294 N295 C298H248-Y269 PolarHBondContact CE1-O 3.33Å; Y269-Y271 WeakPolarHBondContact O-CD2 3.26Å; Y269-R293 HydrophobicContact CD1-CG 4.23Å; Y269-R293 HydrophobicContact CG-CG 4.47Å; Y269-S294 WeakPolarHBondContact CA-O 3.32Å; Y269-N295 HydrophobicContact CD1-CB 4Å; Y269-N295 WeakPolarHBondContact CD1-ND2 3.36Å; Y269-N295 HydrophobicContact CE1-CB 4.48Å; Y269-N295 WeakPolarHBondContact CE1-ND2 3.22Å; Y269-C298 HydrophobicContact CE1-CB 4.11Å
270S88.6Confident78.3Confident2 Ų255.6 Ų55.61%0.01427%0.267CS..BIsolated β-bridgetrans-98.7130167.3-61.70000110.8G272 R293 S294 N426S270-G272 PolarHBondContact O-N 3.34Å; S270-R293 VanDerWaalsContact O-CA 3.28Å; S270-R293 WeakPolarHBondContact O-CA 2.84Å; S270-S294 PolarHBondContact N-O 3.22Å; S270-S294 PolarHBondContact O-N 2.96Å; S270-N426 WeakPolarHBondContact CB-O 3.41Å; S270-N426 PolarHBondContact OG-O 2.88Å
271Y85.4Confident77.7Confident0 Ų047.6 Ų47.60%024%0.235CC..  trans-102.756.7-173.8-68.9-103000112.8L238 S247 H248 T265 E266 Y269 T291 F292 R293 I303 Y305L238-Y271 WeakPolarHBondContact CD1-O 3.48Å; S247-Y271 PolarHBondContact O-N 3.37Å; S247-Y271 PolarHBondContact OG-N 2.76Å; H248-Y271 AromaticContact ND1-CD2 3.66Å; H248-Y271 AromaticContact ND1-CE2 3.84Å; T265-Y271 HydrophobicContact CG2-CD1 3.44Å; T265-Y271 VanDerWaalsContact CG2-CD1 3.44Å; T265-Y271 HydrophobicContact CG2-CD2 4Å; T265-Y271 HydrophobicContact CG2-CE1 3.62Å; T265-Y271 HydrophobicContact CG2-CE2 4.18Å; T265-Y271 HydrophobicContact CG2-CG 3.63Å; E266-Y271 PolarHBondContact N-OH 2.72Å; E266-Y271 VanDerWaalsContact O-CE2 3.29Å; E266-Y271 WeakPolarHBondContact O-CE2 3.48Å; Y269-Y271 WeakPolarHBondContact O-CD2 3.26Å; Y271-T291 HydrophobicContact CD1-CG2 3.81Å; Y271-T291 HydrophobicContact CE1-CG2 4.5Å; Y271-F292 CarbonylContact C-O 3.53Å; Y271-F292 VanDerWaalsContact C-O 3.32Å; Y271-F292 WeakPolarHBondContact CA-O 3.24Å; Y271-R293 HydrophobicContact CD1-CB 3.71Å; Y271-R293 HydrophobicContact CD2-CB 4.42Å; Y271-R293 HydrophobicContact CE1-CB 3.65Å; Y271-R293 HydrophobicContact CE1-CG 4.31Å; Y271-R293 HydrophobicContact CE2-CB 4.33Å; Y271-R293 HydrophobicContact CG-CB 4.12Å; Y271-I303 HydrophobicContact CD1-CG2 4.41Å; Y271-I303 HydrophobicContact CE1-CG2 4.07Å; Y271-Y305 HydrophobicContact CE1-CE2 4.24Å; Y271-Y305 WeakPolarHBondContact CE1-OH 3.42Å; Y271-Y305 PolarHBondContact OH-OH 2.87Å
272G73.4Confident77.3Confident14 Ų1446.9 Ų46.914%0.14423%0.228CC..SBendtrans117.3-164.3-176.200000113.6S247 S270 R425S247-G272 PolarHBondContact OG-O 2.8Å; S270-G272 PolarHBondContact O-N 3.34Å; G272-R425 PolarHBondContact O-NH1 2.74Å
273V63.5Low76.6Confident23 Ų2344.1 Ų44.114%0.13921%0.214CC..  trans-127.6120.4171.5-171.70000107.3R275 E276 C279V273-R275 PolarHBondContact O-N 3.48Å; V273-E276 HydrophobicContact CB-CB 4.08Å; V273-E276 HydrophobicContact CB-CG 3.77Å; V273-E276 HydrophobicContact CG1-CG 4.02Å; V273-E276 WeakPolarHBondContact CG1-OE1 3.03Å; V273-E276 HydrophobicContact CG2-CG 4.47Å; V273-E276 WeakPolarHBondContact CG2-OE1 3.4Å; V273-E276 WeakPolarHBondContact CG2-OE2 3.33Å; V273-E276 PolarHBondContact O-N 3.2Å; V273-E276 VanDerWaalsContact O-N 3.11Å; V273-C279 PolarHBondContact N-SG 3.28Å; V273-C279 VanDerWaalsContact N-SG 3.38Å; V273-C279 PolarHBondContact O-SG 3.45Å
274P54.5Low75.7Confident7 Ų747.1 Ų47.15%0.04524%0.236CC..THydrogen-bonded Turntrans-49.5134.1172.3-26.935.3000110.7L238 V240 E276L238-P274 HydrophobicContact CD2-CG 4.27Å; V240-P274 HydrophobicContact CG1-CG 4.29Å; P274-E276 VanDerWaalsContact C-N 3.3Å; P274-E276 PolarHBondContact O-N 3.41Å
275R54.1Low75.2Confident103 Ų10350.1 Ų50.139%0.38925%0.252SS..THydrogen-bonded Turntrans74.2-4.1-178.6-43.6-177.6-171.7-174.610.5117.4E156 E223 V273E156-R275 IonicContact OE1-CZ 2.8Å; E156-R275 IonicContact OE1-NH1 2.98Å; E156-R275 PolarHBondContact OE1-NH1 3.11Å; E156-R275 IonicContact OE1-NH2 2.58Å; E156-R275 PolarHBondContact OE1-NH2 3.12Å; E156-R275 IonicContact OE2-CZ 3.31Å; E156-R275 IonicContact OE2-NH1 2.89Å; E156-R275 PolarHBondContact OE2-NH1 2.93Å; E156-R275 IonicContact OE2-NH2 2.9Å; E156-R275 PolarHBondContact OE2-NH2 3.44Å; E223-R275 IonicContact OE1-NH2 2.75Å; E223-R275 PolarHBondContact OE1-NH2 2.67Å; E223-R275 IonicContact OE2-CZ 3.78Å; E223-R275 IonicContact OE2-NE 3.1Å; E223-R275 PolarHBondContact OE2-NE 2.96Å; E223-R275 IonicContact OE2-NH2 3.79Å; E223-R275 PolarHBondContact OE2-NH2 2.79Å; V273-R275 PolarHBondContact O-N 3.48Å
276E54.8Low74.8Confident90 Ų9050.6 Ų50.642%0.42125%0.254SS..SBendtrans-79.4144.5165.2-71.2-179.6-165.100110.3V273 P274 K278V273-E276 HydrophobicContact CB-CB 4.08Å; V273-E276 HydrophobicContact CB-CG 3.77Å; V273-E276 HydrophobicContact CG1-CG 4.02Å; V273-E276 WeakPolarHBondContact CG1-OE1 3.03Å; V273-E276 HydrophobicContact CG2-CG 4.47Å; V273-E276 WeakPolarHBondContact CG2-OE1 3.4Å; V273-E276 WeakPolarHBondContact CG2-OE2 3.33Å; V273-E276 PolarHBondContact O-N 3.2Å; V273-E276 VanDerWaalsContact O-N 3.11Å; P274-E276 VanDerWaalsContact C-N 3.3Å; P274-E276 PolarHBondContact O-N 3.41Å; E276-K278 PolarHBondContact O-N 3.35Å
277K52.9Low74.5Confident141 Ų14146.5 Ų46.561%0.61324%0.236SC*.THydrogen-bonded Turntrans-65.1125.6-172.1-69.2-175.6179.1179.70111.5Y72Y72-K277 PolarHBondContact OH-NZ 3.39Å
278K58.6Low74Confident106 Ų10642.2 Ų42.246%0.46121%0.213SC..THydrogen-bonded Turntrans53.366.4168.1-63-164.5176.9-161.50114.3D225 E276 M280D225-K278 PolarHBondContact OD2-N 3.25Å; E276-K278 PolarHBondContact O-N 3.35Å; K278-M280 PolarHBondContact O-N 3.17Å
279C67.4Low73.8Confident17 Ų1740.9 Ų40.912%0.11520%0.199CC..SBendtrans-69.9-20.6172.4-68.10000113.3L238 V273 T291L238-C279 HydrophobicContact CD2-CB 4.04Å; V273-C279 PolarHBondContact N-SG 3.28Å; V273-C279 VanDerWaalsContact N-SG 3.38Å; V273-C279 PolarHBondContact O-SG 3.45Å; C279-T291 PolarHBondContact O-OG1 3.17Å; C279-T291 VanDerWaalsContact O-OG1 3.06Å
280M76.9Confident73.4Confident8 Ų838.3 Ų38.34%0.03919%0.19CC..EExtended strand (participates in β ladder)trans-123.6143175.562.7-166.581.600110.1L238 I249 K278 F282 M289L238-M280 HydrophobicContact CB-CE 3.75Å; I249-M280 HydrophobicContact CB-CE 4.41Å; I249-M280 HydrophobicContact CD1-CB 4.02Å; I249-M280 HydrophobicContact CD1-CE 4.16Å; I249-M280 HydrophobicContact CG1-CE 3.83Å; I249-M280 HydrophobicContact CG2-CE 3.92Å; I249-M280 HydrophobicContact CG2-SD 3.92Å; K278-M280 PolarHBondContact O-N 3.17Å; M280-F282 HydrophobicContact CB-CE2 4.23Å; M280-F282 HydrophobicContact CG-CD2 4.36Å; M280-F282 HydrophobicContact CG-CE2 3.81Å; M280-F282 HydrophobicContact SD-CE2 3.7Å; M280-F282 HydrophobicContact SD-CZ 4.34Å; M280-M289 HydrophobicContact CB-CG 4.18Å; M280-M289 HydrophobicContact CB-SD 4.1Å
281A74.9Confident73.1Confident14 Ų1438.2 Ų38.212%0.11619%0.189CC..EExtended strand (participates in β ladder)trans-129121.2175.300000109.4F6 M289 A290F6-A281 HydrophobicContact CD2-CB 3.45Å; F6-A281 VanDerWaalsContact CD2-CB 3.45Å; F6-A281 HydrophobicContact CE2-CB 3.68Å; A281-M289 CarbonylContact O-C 3.58Å; A281-M289 WeakPolarHBondContact O-CA 3.22Å; A281-A290 PolarHBondContact N-O 3.26Å; A281-A290 PolarHBondContact O-N 3.13Å
282F79.8Confident72.9Confident22 Ų2241.1 Ų41.110%0.09620%0.202CC..EExtended strand (participates in β ladder)trans-101.2167.5175.3-68.7-97.1000111.8E227 Y236 M280 L286 V288 M289 F307E227-F282 HydrophobicContact CB-CD2 4.12Å; E227-F282 HydrophobicContact CB-CE2 4.01Å; E227-F282 HydrophobicContact CG-CD2 3.79Å; E227-F282 HydrophobicContact CG-CE2 4.17Å; E227-F282 HydrophobicContact CG-CG 4.5Å; Y236-F282 AromaticContact CD1-CE1 3.93Å; Y236-F282 HydrophobicContact CD1-CE1 3.93Å; Y236-F282 AromaticContact CD1-CZ 3.53Å; Y236-F282 HydrophobicContact CD1-CZ 3.53Å; Y236-F282 HydrophobicContact CD2-CE1 4.4Å; Y236-F282 HydrophobicContact CD2-CZ 4.1Å; Y236-F282 AromaticContact CE1-CE1 3.96Å; Y236-F282 HydrophobicContact CE1-CE1 3.96Å; Y236-F282 HydrophobicContact CE1-CZ 4.05Å; Y236-F282 HydrophobicContact CE2-CE1 4.46Å; Y236-F282 HydrophobicContact CG-CE1 4.15Å; Y236-F282 HydrophobicContact CG-CE2 4.21Å; Y236-F282 AromaticContact CG-CZ 3.54Å; Y236-F282 HydrophobicContact CG-CZ 3.54Å; M280-F282 HydrophobicContact CB-CE2 4.23Å; M280-F282 HydrophobicContact CG-CD2 4.36Å; M280-F282 HydrophobicContact CG-CE2 3.81Å; M280-F282 HydrophobicContact SD-CE2 3.7Å; M280-F282 HydrophobicContact SD-CZ 4.34Å; F282-L286 HydrophobicContact CB-CD2 3.31Å; F282-L286 HydrophobicContact CD1-CB 4.12Å; F282-L286 HydrophobicContact CD1-CD2 3.96Å; F282-L286 HydrophobicContact CD2-CD2 4.3Å; F282-L286 HydrophobicContact CG-CD2 3.64Å; F282-V288 VanDerWaalsContact CA-O 3.32Å; F282-V288 WeakPolarHBondContact CA-O 3.24Å; F282-M289 HydrophobicContact CD1-CB 3.76Å; F282-M289 HydrophobicContact CD1-CG 4.17Å; F282-M289 HydrophobicContact CD2-CG 4.32Å; F282-M289 HydrophobicContact CE1-CB 3.61Å; F282-M289 HydrophobicContact CE1-CG 3.85Å; F282-M289 HydrophobicContact CE1-SD 3.95Å; F282-M289 HydrophobicContact CE2-CG 3.99Å; F282-M289 HydrophobicContact CE2-SD 3.97Å; F282-M289 HydrophobicContact CG-CB 4.33Å; F282-M289 HydrophobicContact CG-CG 4.4Å; F282-M289 HydrophobicContact CZ-CB 4.04Å; F282-M289 HydrophobicContact CZ-CG 3.73Å; F282-M289 HydrophobicContact CZ-SD 3.44Å; F282-M289 WeakPolarHBondContact CZ-SD 3.37Å; F282-F307 AromaticContact CE1-CE2 3.9Å; F282-F307 HydrophobicContact CE1-CE2 3.9Å
283N77.8Confident73.4Confident11 Ų1141.3 Ų41.36%0.05920%0.198CC..  trans-86.3172.7160.157.6-19.8000113.6L2 D285 L286 S287 V288L2-N283 HydrophobicContact CD1-CB 3.14Å; L2-N283 HydrophobicContact CD2-CB 3.63Å; L2-N283 HydrophobicContact CG-CB 3.49Å; L2-N283 VanDerWaalsContact CG-CB 3.49Å; N283-D285 PolarHBondContact ND2-OD1 3.38Å; N283-D285 PolarHBondContact O-N 3.44Å; N283-D285 VanDerWaalsContact O-N 3.16Å; N283-D285 PolarHBondContact OD1-OD1 3.07Å; N283-L286 WeakPolarHBondContact O-CA 3.16Å; N283-L286 WeakPolarHBondContact O-CD2 3.34Å; N283-L286 PolarHBondContact O-N 3.02Å; N283-L286 WeakPolarHBondContact OD1-CA 3.29Å; N283-L286 PolarHBondContact OD1-N 3.08Å; N283-S287 PolarHBondContact ND2-OG 3.12Å; N283-S287 PolarHBondContact OD1-N 3.17Å; N283-V288 PolarHBondContact N-O 2.71Å; N283-V288 PolarHBondContact OD1-N 3.11Å; N283-V288 PolarHBondContact OD1-O 2.73Å
284D74.6Confident74.2Confident143 Ų14340.8 Ų40.877%0.76520%0.196SC*.THydrogen-bonded Turntrans-54.5-35.1-177.4-54.2-13.8000113.6
285D81.5Confident75.7Confident78 Ų7841 Ų4142%0.41720%0.196SC..THydrogen-bonded Turntrans-95.92.2178.380.4-8.2000114.6R232 N283 S287R232-D285 PolarHBondContact NH1-O 3.42Å; R232-D285 PolarHBondContact NH2-O 3.31Å; N283-D285 PolarHBondContact ND2-OD1 3.38Å; N283-D285 PolarHBondContact O-N 3.44Å; N283-D285 VanDerWaalsContact O-N 3.16Å; N283-D285 PolarHBondContact OD1-OD1 3.07Å; D285-S287 VanDerWaalsContact CG-OG 3.27Å; D285-S287 PolarHBondContact O-N 3.23Å; D285-S287 WeakPolarHBondContact OD1-CB 3.18Å; D285-S287 PolarHBondContact OD1-N 3.06Å; D285-S287 PolarHBondContact OD1-OG 2.97Å; D285-S287 PolarHBondContact OD2-OG 2.91Å
286L84.9Confident77Confident15 Ų1536.3 Ų36.38%0.07918%0.179CC..SBendtrans58.819-179.4-52.4170.7000115E227 D229 Y236 F282 N283E227-L286 HydrophobicContact CG-CD2 3.97Å; D229-L286 VanDerWaalsContact CA-CD1 3.43Å; D229-L286 HydrophobicContact CB-CD1 3.31Å; Y236-L286 HydrophobicContact CE2-CD1 4.43Å; F282-L286 HydrophobicContact CB-CD2 3.31Å; F282-L286 HydrophobicContact CD1-CB 4.12Å; F282-L286 HydrophobicContact CD1-CD2 3.96Å; F282-L286 HydrophobicContact CD2-CD2 4.3Å; F282-L286 HydrophobicContact CG-CD2 3.64Å; N283-L286 WeakPolarHBondContact O-CA 3.16Å; N283-L286 WeakPolarHBondContact O-CD2 3.34Å; N283-L286 PolarHBondContact O-N 3.02Å; N283-L286 WeakPolarHBondContact OD1-CA 3.29Å; N283-L286 PolarHBondContact OD1-N 3.08Å
287S84.6Confident78Confident4 Ų434.1 Ų34.13%0.02817%0.172CC..SBendtrans-84.7-11.9177.271.60000114.9N283 D285 S306 F307N283-S287 PolarHBondContact ND2-OG 3.12Å; N283-S287 PolarHBondContact OD1-N 3.17Å; D285-S287 VanDerWaalsContact CG-OG 3.27Å; D285-S287 PolarHBondContact O-N 3.23Å; D285-S287 WeakPolarHBondContact OD1-CB 3.18Å; D285-S287 PolarHBondContact OD1-N 3.06Å; D285-S287 PolarHBondContact OD1-OG 2.97Å; D285-S287 PolarHBondContact OD2-OG 2.91Å; S287-S306 CarbonylContact O-C 3.54Å; S287-S306 WeakPolarHBondContact O-CA 3.43Å; S287-F307 PolarHBondContact O-N 3.28Å
288V84.3Confident79.1Confident4 Ų428.3 Ų28.32%0.02415%0.149CC..EExtended strand (participates in β ladder)trans-133.4133.1176.2-178.40000109.6L2 P29 F282 N283 V304 Y305L2-V288 HydrophobicContact CD1-CB 4.28Å; L2-V288 HydrophobicContact CD2-CB 3.82Å; L2-V288 HydrophobicContact CD2-CG1 3.72Å; P29-V288 HydrophobicContact CB-CG2 3.65Å; F282-V288 VanDerWaalsContact CA-O 3.32Å; F282-V288 WeakPolarHBondContact CA-O 3.24Å; N283-V288 PolarHBondContact N-O 2.71Å; N283-V288 PolarHBondContact OD1-N 3.11Å; N283-V288 PolarHBondContact OD1-O 2.73Å; V288-V304 HydrophobicContact CG1-CG1 3.62Å; V288-Y305 CarbonylContact C-O 3.49Å; V288-Y305 VanDerWaalsContact CA-O 3.26Å; V288-Y305 WeakPolarHBondContact CA-O 3.23Å; V288-Y305 VanDerWaalsContact CG1-O 3.3Å; V288-Y305 WeakPolarHBondContact CG1-O 3.27Å
289M86.7Confident79.8Confident0 Ų024.9 Ų24.90%014%0.137CC..EExtended strand (participates in β ladder)trans-128.6130.9179.7-180-171.175.100110.8I249 M280 A281 F282 T291 V304 Y305 F307I249-M289 HydrophobicContact CD1-CE 3.5Å; I249-M289 VanDerWaalsContact CD1-CE 3.5Å; I249-M289 HydrophobicContact CD1-SD 3.65Å; I249-M289 HydrophobicContact CG2-CE 4.36Å; I249-M289 HydrophobicContact CG2-SD 3.93Å; M280-M289 HydrophobicContact CB-CG 4.18Å; M280-M289 HydrophobicContact CB-SD 4.1Å; A281-M289 CarbonylContact O-C 3.58Å; A281-M289 WeakPolarHBondContact O-CA 3.22Å; F282-M289 HydrophobicContact CD1-CB 3.76Å; F282-M289 HydrophobicContact CD1-CG 4.17Å; F282-M289 HydrophobicContact CD2-CG 4.32Å; F282-M289 HydrophobicContact CE1-CB 3.61Å; F282-M289 HydrophobicContact CE1-CG 3.85Å; F282-M289 HydrophobicContact CE1-SD 3.95Å; F282-M289 HydrophobicContact CE2-CG 3.99Å; F282-M289 HydrophobicContact CE2-SD 3.97Å; F282-M289 HydrophobicContact CG-CB 4.33Å; F282-M289 HydrophobicContact CG-CG 4.4Å; F282-M289 HydrophobicContact CZ-CB 4.04Å; F282-M289 HydrophobicContact CZ-CG 3.73Å; F282-M289 HydrophobicContact CZ-SD 3.44Å; F282-M289 WeakPolarHBondContact CZ-SD 3.37Å; M289-T291 HydrophobicContact CE-CG2 4.21Å; M289-V304 CarbonylContact O-C 3.6Å; M289-V304 WeakPolarHBondContact O-CA 3.38Å; M289-Y305 HydrophobicContact CE-CD2 3.47Å; M289-Y305 VanDerWaalsContact CE-CD2 3.47Å; M289-Y305 HydrophobicContact CE-CE2 4.06Å; M289-Y305 HydrophobicContact CE-CG 4.27Å; M289-Y305 PolarHBondContact N-O 3.1Å; M289-Y305 PolarHBondContact O-N 2.99Å; M289-F307 HydrophobicContact CB-CE2 3.59Å; M289-F307 HydrophobicContact CB-CZ 4.07Å; M289-F307 HydrophobicContact CE-CZ 4Å; M289-F307 HydrophobicContact SD-CE2 4.49Å; M289-F307 HydrophobicContact SD-CZ 4.29Å
290A82Confident80.1Confident2 Ų224.7 Ų24.72%0.01714%0.138CC..EExtended strand (participates in β ladder)trans-109.4140.2170.200000110.8F6 A281 I303 V304F6-A290 HydrophobicContact CB-CB 4.44Å; F6-A290 HydrophobicContact CD1-CB 3.53Å; F6-A290 HydrophobicContact CD2-CB 3.55Å; F6-A290 HydrophobicContact CE1-CB 3.45Å; F6-A290 VanDerWaalsContact CE1-CB 3.45Å; F6-A290 HydrophobicContact CE2-CB 3.46Å; F6-A290 VanDerWaalsContact CE2-CB 3.46Å; F6-A290 HydrophobicContact CG-CB 3.56Å; F6-A290 HydrophobicContact CZ-CB 3.4Å; F6-A290 VanDerWaalsContact CZ-CB 3.4Å; A281-A290 PolarHBondContact N-O 3.26Å; A281-A290 PolarHBondContact O-N 3.13Å; A290-I303 WeakPolarHBondContact CA-O 3.27Å; A290-V304 HydrophobicContact CB-CG1 4.45Å; A290-V304 HydrophobicContact CB-CG2 3.97Å
291T82.7Confident80Confident0 Ų025.4 Ų25.40%014%0.141CC..EExtended strand (participates in β ladder)trans-151.7162.8-178.8-177.60000110.3I249 Y271 C279 M289 I303 Y305I249-T291 HydrophobicContact CD1-CG2 3.95Å; Y271-T291 HydrophobicContact CD1-CG2 3.81Å; Y271-T291 HydrophobicContact CE1-CG2 4.5Å; C279-T291 PolarHBondContact O-OG1 3.17Å; C279-T291 VanDerWaalsContact O-OG1 3.06Å; M289-T291 HydrophobicContact CE-CG2 4.21Å; T291-I303 HydrophobicContact CG2-CG2 3.5Å; T291-I303 VanDerWaalsContact CG2-CG2 3.5Å; T291-I303 PolarHBondContact N-O 2.72Å; T291-I303 PolarHBondContact O-N 2.95Å; T291-Y305 HydrophobicContact CG2-CD2 4.32Å; T291-Y305 HydrophobicContact CG2-CE2 4.01Å
292F80.3Confident80.3Confident62 Ų6224.8 Ų24.827%0.27214%0.136SC..EExtended strand (participates in β ladder)trans-94147.2167.7-68.8-76.6000111F6 L10 Y50 Y271 E301 C302F6-F292 HydrophobicContact CZ-CE2 4.26Å; F6-F292 HydrophobicContact CZ-CZ 4.46Å; L10-F292 HydrophobicContact CD1-CE1 4.46Å; L10-F292 HydrophobicContact CD1-CE2 4.04Å; L10-F292 HydrophobicContact CD1-CZ 3.47Å; L10-F292 VanDerWaalsContact CD1-CZ 3.47Å; L10-F292 HydrophobicContact CD2-CE2 3.54Å; L10-F292 HydrophobicContact CD2-CZ 3.52Å; L10-F292 HydrophobicContact CG-CE2 4.41Å; L10-F292 HydrophobicContact CG-CZ 4.13Å; Y50-F292 AromaticContact CE2-CE1 3.6Å; Y50-F292 HydrophobicContact CE2-CE1 3.6Å; Y50-F292 HydrophobicContact CE2-CZ 4.32Å; Y50-F292 AromaticContact CZ-CE1 3.89Å; Y50-F292 WeakPolarHBondContact OH-CE1 3.29Å; Y271-F292 CarbonylContact C-O 3.53Å; Y271-F292 VanDerWaalsContact C-O 3.32Å; Y271-F292 WeakPolarHBondContact CA-O 3.24Å; F292-E301 CarbonylContact C-O 3.56Å; F292-E301 VanDerWaalsContact CA-O 3.31Å; F292-E301 WeakPolarHBondContact CA-O 3.14Å; F292-C302 HydrophobicContact CD1-CB 4.12Å; F292-C302 HydrophobicContact CE1-CB 3.79Å
293R83.8Confident80.5Confident18 Ų1823.7 Ų23.77%0.06813%0.132CC..EExtended strand (participates in β ladder)trans-131.9149.9166.574.7176.9-174-175.1-1.7110.8E266 Y269 S270 Y271 G300 E301E266-R293 IonicContact OE2-NH1 2.87Å; E266-R293 PolarHBondContact OE2-NH1 3.26Å; E266-R293 VanDerWaalsContact OE2-NH1 3.1Å; Y269-R293 HydrophobicContact CD1-CG 4.23Å; Y269-R293 HydrophobicContact CG-CG 4.47Å; S270-R293 VanDerWaalsContact O-CA 3.28Å; S270-R293 WeakPolarHBondContact O-CA 2.84Å; Y271-R293 HydrophobicContact CD1-CB 3.71Å; Y271-R293 HydrophobicContact CD2-CB 4.42Å; Y271-R293 HydrophobicContact CE1-CB 3.65Å; Y271-R293 HydrophobicContact CE1-CG 4.31Å; Y271-R293 HydrophobicContact CE2-CB 4.33Å; Y271-R293 HydrophobicContact CG-CB 4.12Å; R293-G300 WeakPolarHBondContact O-CA 3.19Å; R293-E301 HydrophobicContact CG-CB 4.1Å; R293-E301 IonicContact CZ-OE2 3.89Å; R293-E301 PolarHBondContact N-O 3.39Å; R293-E301 IonicContact NE-OE2 2.81Å; R293-E301 PolarHBondContact NE-OE2 3.33Å; R293-E301 IonicContact NH2-OE2 3.33Å; R293-E301 PolarHBondContact NH2-OE2 2.81Å; R293-E301 PolarHBondContact O-N 3.1Å
294S81.7Confident80.8Confident12 Ų1223.5 Ų23.58%0.08413%0.131CC..EExtended strand (participates in β ladder)trans-152.5168.6169.467.20000109.8Y269 S270 C298 W428Y269-S294 WeakPolarHBondContact CA-O 3.32Å; S270-S294 PolarHBondContact N-O 3.22Å; S270-S294 PolarHBondContact O-N 2.96Å; S294-C298 WeakPolarHBondContact CB-O 3.5Å; S294-W428 PolarHBondContact OG-N 2.72Å
295N85Confident81.3Confident10 Ų1016.9 Ų16.95%0.05310%0.095CC..EExtended strand (participates in β ladder)trans-141.6177.5166.672.541.9000109.7G268 Y269 T297 C298 N426 S427 W428G268-N295 WeakPolarHBondContact O-CB 3.29Å; G268-N295 PolarHBondContact O-ND2 2.73Å; Y269-N295 HydrophobicContact CD1-CB 4Å; Y269-N295 WeakPolarHBondContact CD1-ND2 3.36Å; Y269-N295 HydrophobicContact CE1-CB 4.48Å; Y269-N295 WeakPolarHBondContact CE1-ND2 3.22Å; N295-T297 PolarHBondContact O-N 2.75Å; N295-T297 WeakPolarHBondContact OD1-CA 3.42Å; N295-T297 PolarHBondContact OD1-N 3.1Å; N295-T297 PolarHBondContact OD1-OG1 3.33Å; N295-C298 VanDerWaalsContact CG-CB 3.47Å; N295-C298 PolarHBondContact N-O 3.34Å; N295-C298 VanDerWaalsContact N-O 3.07Å; N295-C298 PolarHBondContact O-N 2.9Å; N295-C298 WeakPolarHBondContact OD1-CB 3.27Å; N295-C298 PolarHBondContact OD1-N 3.41Å; N295-N426 VanDerWaalsContact CB-OD1 3.32Å; N295-N426 WeakPolarHBondContact CB-OD1 3.17Å; N295-S427 VanDerWaalsContact C-C 3.49Å; N295-S427 CarbonylContact O-C 3.46Å; N295-W428 WeakPolarHBondContact O-CA 3.45Å; N295-W428 PolarHBondContact O-N 3.23Å
296V80.8Confident81.6Confident5 Ų513.1 Ų13.13%0.038%0.075CC..THydrogen-bonded Turntrans-56.1-22.1-178.6-68.50000114.7R380 P381 Y396 N426V296-R380 HydrophobicContact CG2-CG 4.14Å; V296-P381 HydrophobicContact CB-CG 4.43Å; V296-P381 HydrophobicContact CG1-CG 4.2Å; V296-P381 HydrophobicContact CG2-CG 4.46Å; V296-Y396 HydrophobicContact CG1-CE2 3.96Å; V296-N426 PolarHBondContact N-OD1 2.89Å; V296-N426 VanDerWaalsContact N-OD1 3.11Å
297T76.9Confident81.9Confident44 Ų4412.4 Ų12.427%0.277%0.071SC..THydrogen-bonded Turntrans-116.2-6.4-177.7440000114N295 R380N295-T297 PolarHBondContact O-N 2.75Å; N295-T297 WeakPolarHBondContact OD1-CA 3.42Å; N295-T297 PolarHBondContact OD1-N 3.1Å; N295-T297 PolarHBondContact OD1-OG1 3.33Å; T297-R380 HydrophobicContact CG2-CB 3.84Å
298C76.7Confident82.1Confident20 Ų2014.3 Ų14.314%0.1358%0.084CC..EExtended strand (participates in β ladder)trans-124.2115.5-173.8-178.90000108.9Y269 S294 N295 W428Y269-C298 HydrophobicContact CE1-CB 4.11Å; S294-C298 WeakPolarHBondContact CB-O 3.5Å; N295-C298 VanDerWaalsContact CG-CB 3.47Å; N295-C298 PolarHBondContact N-O 3.34Å; N295-C298 VanDerWaalsContact N-O 3.07Å; N295-C298 PolarHBondContact O-N 2.9Å; N295-C298 WeakPolarHBondContact OD1-CB 3.27Å; N295-C298 PolarHBondContact OD1-N 3.41Å; C298-W428 WeakPolarHBondContact O-CB 3.46Å
299P73.5Confident82.3Confident33 Ų3316.3 Ų16.321%0.2149%0.093CC..EExtended strand (participates in β ladder)trans-51.6167.3173-25.433000113.9E301 L331 W428P299-E301 PolarHBondContact O-N 3.05Å; P299-E301 VanDerWaalsContact O-N 3.12Å; P299-L331 HydrophobicContact CB-CD1 4.08Å; P299-W428 HydrophobicContact CB-CD2 4.28Å; P299-W428 HydrophobicContact CB-CG 4.4Å; P299-W428 HydrophobicContact CB-CZ2 4.48Å; P299-W428 HydrophobicContact CG-CD2 4.14Å; P299-W428 HydrophobicContact CG-CE3 4.42Å; P299-W428 HydrophobicContact CG-CH2 4.02Å; P299-W428 HydrophobicContact CG-CZ2 3.73Å; P299-W428 HydrophobicContact CG-CZ3 4.36Å
300G72.6Confident82.3Confident13 Ų1318.8 Ų18.813%0.13411%0.109CC..EExtended strand (participates in β ladder)trans-59.3114177.900000112.8Y50 R293Y50-G300 PolarHBondContact OH-O 3.37Å; R293-G300 WeakPolarHBondContact O-CA 3.19Å
301E75.2Confident82.2Confident23 Ų2328.1 Ų28.111%0.10715%0.152CC..EExtended strand (participates in β ladder)trans-103.5142172.3-56-177.4139.700109.8F292 R293 P299 L328 K330F292-E301 CarbonylContact C-O 3.56Å; F292-E301 VanDerWaalsContact CA-O 3.31Å; F292-E301 WeakPolarHBondContact CA-O 3.14Å; R293-E301 HydrophobicContact CG-CB 4.1Å; R293-E301 IonicContact CZ-OE2 3.89Å; R293-E301 PolarHBondContact N-O 3.39Å; R293-E301 IonicContact NE-OE2 2.81Å; R293-E301 PolarHBondContact NE-OE2 3.33Å; R293-E301 IonicContact NH2-OE2 3.33Å; R293-E301 PolarHBondContact NH2-OE2 2.81Å; R293-E301 PolarHBondContact O-N 3.1Å; P299-E301 PolarHBondContact O-N 3.05Å; P299-E301 VanDerWaalsContact O-N 3.12Å; E301-L328 HydrophobicContact CB-CD1 3.92Å; E301-K330 HydrophobicContact CG-CB 4.21Å
302C80.1Confident81.9Confident1 Ų130.6 Ų30.61%0.00717%0.169CC..EExtended strand (participates in β ladder)trans-92.8129.4169.2164.70000109.2F6 Y50 F292 L329F6-C302 VanDerWaalsContact CE1-SG 3.53Å; Y50-C302 HydrophobicContact CE2-CB 4.2Å; F292-C302 HydrophobicContact CD1-CB 4.12Å; F292-C302 HydrophobicContact CE1-CB 3.79Å; C302-L329 HydrophobicContact CB-CB 4.09Å; C302-L329 PolarHBondContact N-O 2.99Å; C302-L329 PolarHBondContact O-N 3.16Å
303I84Confident81.4Confident0 Ų032.2 Ų32.20%019%0.194CC..EExtended strand (participates in β ladder)trans-123.7135.1175.8-174.2159.6000110.6Y271 A290 T291 Y305 H326 L327 L328Y271-I303 HydrophobicContact CD1-CG2 4.41Å; Y271-I303 HydrophobicContact CE1-CG2 4.07Å; A290-I303 WeakPolarHBondContact CA-O 3.27Å; T291-I303 HydrophobicContact CG2-CG2 3.5Å; T291-I303 VanDerWaalsContact CG2-CG2 3.5Å; T291-I303 PolarHBondContact N-O 2.72Å; T291-I303 PolarHBondContact O-N 2.95Å; I303-Y305 HydrophobicContact CB-CE2 4.39Å; I303-Y305 HydrophobicContact CD1-CE1 3.86Å; I303-Y305 HydrophobicContact CD1-CE2 3.98Å; I303-Y305 VanDerWaalsContact CD1-CZ 3.47Å; I303-Y305 WeakPolarHBondContact CD1-OH 3.36Å; I303-Y305 HydrophobicContact CG1-CD2 4.28Å; I303-Y305 HydrophobicContact CG1-CE1 4.26Å; I303-Y305 HydrophobicContact CG1-CE2 3.86Å; I303-Y305 HydrophobicContact CG2-CD2 4.36Å; I303-Y305 HydrophobicContact CG2-CE2 3.66Å; I303-H326 HydrophobicContact CD1-CB 4.27Å; I303-H326 HydrophobicContact CG1-CB 4.3Å; I303-L327 WeakPolarHBondContact CA-O 3.35Å; I303-L328 HydrophobicContact CB-CD1 4.14Å; I303-L328 HydrophobicContact CD1-CD1 4.42Å
304V84Confident80.9Confident7 Ų736 Ų364%0.04222%0.215CC..EExtended strand (participates in β ladder)trans-116.2113177.8-173.90000108.7L3 L33 V288 M289 A290 H326 L327L3-V304 HydrophobicContact CD1-CG2 3.98Å; L33-V304 HydrophobicContact CD1-CB 4.07Å; L33-V304 HydrophobicContact CD1-CG1 3.86Å; V288-V304 HydrophobicContact CG1-CG1 3.62Å; M289-V304 CarbonylContact O-C 3.6Å; M289-V304 WeakPolarHBondContact O-CA 3.38Å; A290-V304 HydrophobicContact CB-CG1 4.45Å; A290-V304 HydrophobicContact CB-CG2 3.97Å; V304-H326 CarbonylContact O-C 3.55Å; V304-H326 WeakPolarHBondContact O-CA 3.21Å; V304-L327 HydrophobicContact CB-CB 4.35Å; V304-L327 PolarHBondContact N-O 3.18Å; V304-L327 PolarHBondContact O-N 3.42Å
305Y86.9Confident80.1Confident3 Ų341.9 Ų41.91%0.01226%0.257CS..EExtended strand (participates in β ladder)trans-92.7142.3176-66.6-78000110.9T265 Y271 V288 M289 T291 I303 V323 H326T265-Y305 HydrophobicContact CG2-CE2 4.3Å; Y271-Y305 HydrophobicContact CE1-CE2 4.24Å; Y271-Y305 WeakPolarHBondContact CE1-OH 3.42Å; Y271-Y305 PolarHBondContact OH-OH 2.87Å; V288-Y305 CarbonylContact C-O 3.49Å; V288-Y305 VanDerWaalsContact CA-O 3.26Å; V288-Y305 WeakPolarHBondContact CA-O 3.23Å; V288-Y305 VanDerWaalsContact CG1-O 3.3Å; V288-Y305 WeakPolarHBondContact CG1-O 3.27Å; M289-Y305 HydrophobicContact CE-CD2 3.47Å; M289-Y305 VanDerWaalsContact CE-CD2 3.47Å; M289-Y305 HydrophobicContact CE-CE2 4.06Å; M289-Y305 HydrophobicContact CE-CG 4.27Å; M289-Y305 PolarHBondContact N-O 3.1Å; M289-Y305 PolarHBondContact O-N 2.99Å; T291-Y305 HydrophobicContact CG2-CD2 4.32Å; T291-Y305 HydrophobicContact CG2-CE2 4.01Å; I303-Y305 HydrophobicContact CB-CE2 4.39Å; I303-Y305 HydrophobicContact CD1-CE1 3.86Å; I303-Y305 HydrophobicContact CD1-CE2 3.98Å; I303-Y305 VanDerWaalsContact CD1-CZ 3.47Å; I303-Y305 WeakPolarHBondContact CD1-OH 3.36Å; I303-Y305 HydrophobicContact CG1-CD2 4.28Å; I303-Y305 HydrophobicContact CG1-CE1 4.26Å; I303-Y305 HydrophobicContact CG1-CE2 3.86Å; I303-Y305 HydrophobicContact CG2-CD2 4.36Å; I303-Y305 HydrophobicContact CG2-CE2 3.66Å; Y305-V323 HydrophobicContact CD1-CG1 3.8Å; Y305-V323 HydrophobicContact CD1-CG2 4.14Å; Y305-V323 HydrophobicContact CE1-CG1 4.32Å; Y305-H326 HydrophobicContact CD1-CB 3.77Å; Y305-H326 HydrophobicContact CE1-CB 4.01Å
306S87Confident79.3Confident0 Ų045.4 Ų45.40%028%0.282CS..EExtended strand (participates in β ladder)trans-111.1141.8161.258.90000109.7L33 S287 K324 N325L33-S306 WeakPolarHBondContact CD2-OG 3.32Å; S287-S306 CarbonylContact O-C 3.54Å; S287-S306 WeakPolarHBondContact O-CA 3.43Å; S306-K324 PolarHBondContact O-N 2.82Å; S306-N325 PolarHBondContact N-O 3.42Å; S306-N325 WeakPolarHBondContact OG-CB 3.21Å; S306-N325 PolarHBondContact OG-N 3.42Å; S306-N325 VanDerWaalsContact OG-N 3.15Å; S306-N325 PolarHBondContact OG-O 2.9Å; S306-N325 VanDerWaalsContact OG-O 3.06Å
307F90.3Very high79.1Confident0 Ų048.6 Ų48.60%030%0.299CS..EExtended strand (participates in β ladder)trans-111142.9-179.4-57.4-65000111.4Q30 L264 F282 S287 M289 F309 P321 R322 V323Q30-F307 PolarHBondContact NE2-O 2.84Å; L264-F307 HydrophobicContact CB-CE1 4.43Å; L264-F307 HydrophobicContact CD1-CE1 4.05Å; L264-F307 HydrophobicContact CD1-CZ 3.9Å; L264-F307 HydrophobicContact CD2-CE1 4.3Å; F282-F307 AromaticContact CE1-CE2 3.9Å; F282-F307 HydrophobicContact CE1-CE2 3.9Å; S287-F307 PolarHBondContact O-N 3.28Å; M289-F307 HydrophobicContact CB-CE2 3.59Å; M289-F307 HydrophobicContact CB-CZ 4.07Å; M289-F307 HydrophobicContact CE-CZ 4Å; M289-F307 HydrophobicContact SD-CE2 4.49Å; M289-F307 HydrophobicContact SD-CZ 4.29Å; F307-F309 HydrophobicContact CB-CE2 4.23Å; F307-F309 HydrophobicContact CB-CZ 4.35Å; F307-P321 HydrophobicContact CB-CB 3.99Å; F307-P321 HydrophobicContact CD1-CB 4.17Å; F307-P321 HydrophobicContact CG-CB 4.1Å; F307-R322 CarbonylContact C-O 3.38Å; F307-R322 VanDerWaalsContact CA-O 3.24Å; F307-R322 WeakPolarHBondContact CA-O 3.12Å; F307-V323 HydrophobicContact CD1-CG2 4.16Å; F307-V323 HydrophobicContact CE1-CG2 3.8Å
308S89.7Confident79.4Confident43 Ų4347.6 Ų47.630%0.30129%0.293SS..EExtended strand (participates in β ladder)trans-103.4145.3161.357.30000109.9P321 R322S308-P321 WeakPolarHBondContact O-CA 3.42Å; S308-R322 PolarHBondContact N-O 2.84Å; S308-R322 PolarHBondContact O-N 2.77Å
309F89.2Confident79.9Confident47 Ų4747.7 Ų47.721%0.20629%0.294CS..  trans-114.5107178.1-65.8-84.6000107.5L234 F307 S319 P321L234-F309 HydrophobicContact CD1-CE1 4.26Å; F307-F309 HydrophobicContact CB-CE2 4.23Å; F307-F309 HydrophobicContact CB-CZ 4.35Å; F309-S319 WeakPolarHBondContact CB-OG 3.42Å; F309-P321 HydrophobicContact CD1-CB 4.12Å; F309-P321 HydrophobicContact CE1-CB 3.65Å; F309-P321 HydrophobicContact CE1-CG 4.28Å; F309-P321 HydrophobicContact CZ-CB 4.15Å
310P85.2Confident80.6Confident52 Ų5247.9 Ų47.934%0.33829%0.293SS..PPolyproline II helixtrans-59.3141.6178.1-22.433.4000111.3C312 S319 I320P310-C312 PolarHBondContact O-N 2.96Å; P310-S319 WeakPolarHBondContact O-CB 3.47Å; P310-S319 PolarHBondContact O-OG 3.12Å; P310-I320 WeakPolarHBondContact CD-O 3.26Å
311E79.8Confident81.5Confident197 Ų19747.5 Ų47.592%0.92129%0.288SS*.PPolyproline II helixtrans-63.7133.8172.6-69.5-178.2178.900110.5
312C76.9Confident82.1Confident53 Ų5354.5 Ų54.536%0.35831%0.313SS..PPolyproline II helixtrans-88.4129.4178.2-77.40000109.8P310 D317 V318 S319P310-C312 PolarHBondContact O-N 2.96Å; C312-D317 HydrophobicContact CB-CB 3.83Å; C312-D317 PolarHBondContact SG-O 3.02Å; C312-V318 VanDerWaalsContact SG-C 3.55Å; C312-S319 VanDerWaalsContact SG-CA 3.55Å; C312-S319 PolarHBondContact SG-N 3.37Å
313A70.7Confident82.4Confident96 Ų9657.4 Ų57.479%0.79333%0.331SS*.SBendtrans-71.6-35.5-179.500000112
314N72.6Confident82.3Confident96 Ų9662.6 Ų62.651%0.51335%0.353SS..SBendtrans-113.9150.4175.3-56.7-52.8000110.9S316 D317N314-S316 PolarHBondContact O-N 3.41Å; N314-S316 VanDerWaalsContact O-N 3.15Å; N314-D317 WeakPolarHBondContact CB-OD2 3.3Å; N314-D317 PolarHBondContact N-OD2 3.03Å; N314-D317 VanDerWaalsContact N-OD2 3.09Å; N314-D317 PolarHBondContact ND2-OD2 3.34Å; N314-D317 WeakPolarHBondContact O-CB 3.45Å; N314-D317 PolarHBondContact O-N 3.42Å
315S65Low82.2Confident137 Ų13764.7 Ų64.796%0.95836%0.364SS*.THydrogen-bonded Turntrans-64.3-15.4174.655.50000114.1
316S68.6Low82.1Confident84 Ų8468.2 Ų68.259%0.58738%0.381SS*.THydrogen-bonded Turntrans-84.6-14.4173.155.50000113.7N314N314-S316 PolarHBondContact O-N 3.41Å; N314-S316 VanDerWaalsContact O-N 3.15Å
317D76.4Confident81.7Confident71 Ų7168.3 Ų68.338%0.3838%0.381SS..SBendtrans-80.8140.9-177.7-58.9-24000109.5C312 N314C312-D317 HydrophobicContact CB-CB 3.83Å; C312-D317 PolarHBondContact SG-O 3.02Å; N314-D317 WeakPolarHBondContact CB-OD2 3.3Å; N314-D317 PolarHBondContact N-OD2 3.03Å; N314-D317 VanDerWaalsContact N-OD2 3.09Å; N314-D317 PolarHBondContact ND2-OD2 3.34Å; N314-D317 WeakPolarHBondContact O-CB 3.45Å; N314-D317 PolarHBondContact O-N 3.42Å
318V81.9Confident81.3Confident24 Ų2470 Ų7015%0.14539%0.39CS..  trans-99.4124.9180-176.30000109.7R232 L234 A255 L256 C312 I320R232-V318 WeakPolarHBondContact O-CG1 3.47Å; L234-V318 HydrophobicContact CD2-CG1 3.62Å; L234-V318 HydrophobicContact CG-CG1 4.42Å; A255-V318 HydrophobicContact CB-CG2 4.08Å; L256-V318 HydrophobicContact CD1-CB 4.01Å; L256-V318 HydrophobicContact CD1-CG2 3.61Å; L256-V318 HydrophobicContact CG-CG2 3.73Å; C312-V318 VanDerWaalsContact SG-C 3.55Å; V318-I320 HydrophobicContact CB-CD1 4.32Å; V318-I320 HydrophobicContact CG1-CD1 3.89Å; V318-I320 PolarHBondContact O-N 2.94Å; V318-I320 VanDerWaalsContact O-N 3.13Å
319S87.5Confident80.4Confident22 Ų2268 Ų6815%0.15438%0.376CS..  trans-76.9100.4179.5-171.70000110.6F309 P310 C312F309-S319 WeakPolarHBondContact CB-OG 3.42Å; P310-S319 WeakPolarHBondContact O-CB 3.47Å; P310-S319 PolarHBondContact O-OG 3.12Å; C312-S319 VanDerWaalsContact SG-CA 3.55Å; C312-S319 PolarHBondContact SG-N 3.37Å
320I88.1Confident79.4Confident37 Ų3768 Ų6819%0.1938%0.376CS..  trans-80.6130179.8-56.5-47.1000110.3L234 V251 M259 I262 P310 V318L234-I320 HydrophobicContact CD2-CD1 3.76Å; V251-I320 HydrophobicContact CG1-CG2 4.39Å; M259-I320 HydrophobicContact CE-CD1 3.45Å; M259-I320 VanDerWaalsContact CE-CD1 3.45Å; M259-I320 HydrophobicContact CE-CG1 3.8Å; M259-I320 HydrophobicContact CE-CG2 4.45Å; M259-I320 HydrophobicContact SD-CD1 3.81Å; I262-I320 HydrophobicContact CD1-CG1 4.49Å; I262-I320 HydrophobicContact CD1-CG2 3.55Å; P310-I320 WeakPolarHBondContact CD-O 3.26Å; V318-I320 HydrophobicContact CB-CD1 4.32Å; V318-I320 HydrophobicContact CG1-CD1 3.89Å; V318-I320 PolarHBondContact O-N 2.94Å; V318-I320 VanDerWaalsContact O-N 3.13Å
321P91.6Very high78.1Confident4 Ų467.4 Ų67.43%0.02637%0.369CS..  trans-64.9142-179.926.9-35.5000111.6L234 Y236 V251 L264 F307 S308 F309L234-P321 HydrophobicContact CD1-CG 4.34Å; Y236-P321 HydrophobicContact CE1-CG 3.96Å; V251-P321 HydrophobicContact CB-CG 4.35Å; V251-P321 HydrophobicContact CG1-CG 3.92Å; V251-P321 HydrophobicContact CG2-CG 4.12Å; L264-P321 HydrophobicContact CD2-CG 4.32Å; F307-P321 HydrophobicContact CB-CB 3.99Å; F307-P321 HydrophobicContact CD1-CB 4.17Å; F307-P321 HydrophobicContact CG-CB 4.1Å; S308-P321 WeakPolarHBondContact O-CA 3.42Å; F309-P321 HydrophobicContact CD1-CB 4.12Å; F309-P321 HydrophobicContact CE1-CB 3.65Å; F309-P321 HydrophobicContact CE1-CG 4.28Å; F309-P321 HydrophobicContact CZ-CB 4.15Å
322R87.5Confident76.7Confident171 Ų17161.3 Ų61.365%0.64535%0.347SS*.EExtended strand (participates in β ladder)trans-119.6137.4169-63.6-174.7-179.5-174.40.9109.6F307 S308 K324F307-R322 CarbonylContact C-O 3.38Å; F307-R322 VanDerWaalsContact CA-O 3.24Å; F307-R322 WeakPolarHBondContact CA-O 3.12Å; S308-R322 PolarHBondContact N-O 2.84Å; S308-R322 PolarHBondContact O-N 2.77Å; R322-K324 PolarHBondContact O-N 3.45Å; R322-K324 VanDerWaalsContact O-N 3.14Å
323V86.9Confident75.4Confident62 Ų6261.2 Ų61.238%0.37635%0.347SS..EExtended strand (participates in β ladder)trans-61.9117.9172.5176.80000108.5Y305 F307Y305-V323 HydrophobicContact CD1-CG1 3.8Å; Y305-V323 HydrophobicContact CD1-CG2 4.14Å; Y305-V323 HydrophobicContact CE1-CG1 4.32Å; F307-V323 HydrophobicContact CD1-CG2 4.16Å; F307-V323 HydrophobicContact CE1-CG2 3.8Å
324K83.3Confident73.8Confident109 Ų10965 Ų6547%0.47434%0.341SS..EExtended strand (participates in β ladder)trans-92.4-54.3179-178.6-178.6174.3-179.50110.8S306 R322S306-K324 PolarHBondContact O-N 2.82Å; R322-K324 PolarHBondContact O-N 3.45Å; R322-K324 VanDerWaalsContact O-N 3.14Å
325N81.6Confident72.3Confident51 Ų5168.3 Ų68.327%0.27335%0.353SS..EExtended strand (participates in β ladder)trans-143.6160.7178-70.5-49.5000110.5L33 S306L33-N325 HydrophobicContact CD2-CB 4.13Å; S306-N325 PolarHBondContact N-O 3.42Å; S306-N325 WeakPolarHBondContact OG-CB 3.21Å; S306-N325 PolarHBondContact OG-N 3.42Å; S306-N325 VanDerWaalsContact OG-N 3.15Å; S306-N325 PolarHBondContact OG-O 2.9Å; S306-N325 VanDerWaalsContact OG-O 3.06Å
326H84.5Confident71Confident77 Ų7767.3 Ų67.336%0.35633%0.333SS..EExtended strand (participates in β ladder)trans-140.8143.2171.868.3-89.4000112.8Q37 I303 V304 Y305Q37-H326 PolarHBondContact NE2-O 3.4Å; I303-H326 HydrophobicContact CD1-CB 4.27Å; I303-H326 HydrophobicContact CG1-CB 4.3Å; V304-H326 CarbonylContact O-C 3.55Å; V304-H326 WeakPolarHBondContact O-CA 3.21Å; Y305-H326 HydrophobicContact CD1-CB 3.77Å; Y305-H326 HydrophobicContact CE1-CB 4.01Å
327L79Confident69.3Low2 Ų265.5 Ų65.51%0.0133%0.328CS..EExtended strand (participates in β ladder)trans-109.5123.7171.6177.468.1000109.5L33 L36 Q37 K43 I303 V304 L329L33-L327 HydrophobicContact CD1-CB 3.37Å; L33-L327 HydrophobicContact CD1-CD2 4.05Å; L33-L327 HydrophobicContact CD1-CG 4.35Å; L33-L327 HydrophobicContact CG-CB 4.25Å; L36-L327 HydrophobicContact CB-CD2 3.97Å; L36-L327 HydrophobicContact CD1-CD2 4.2Å; Q37-L327 HydrophobicContact CG-CB 4.46Å; Q37-L327 HydrophobicContact CG-CD1 4.11Å; K43-L327 HydrophobicContact CD-CD1 4.27Å; K43-L327 HydrophobicContact CG-CD1 4.38Å; I303-L327 WeakPolarHBondContact CA-O 3.35Å; V304-L327 HydrophobicContact CB-CB 4.35Å; V304-L327 PolarHBondContact N-O 3.18Å; V304-L327 PolarHBondContact O-N 3.42Å; L327-L329 HydrophobicContact CD2-CD2 4.27Å; L327-L329 HydrophobicContact CG-CD2 4.28Å
328L80.9Confident67.2Low35 Ų3567.1 Ų67.118%0.18334%0.337CS..EExtended strand (participates in β ladder)trans-100125.1175.4-172.966.9000110.8K43 E301 I303K43-L328 WeakPolarHBondContact CE-O 3.37Å; E301-L328 HydrophobicContact CB-CD1 3.92Å; I303-L328 HydrophobicContact CB-CD1 4.14Å; I303-L328 HydrophobicContact CD1-CD1 4.42Å
329L70.8Confident64.9Low0 Ų072.5 Ų72.50%036%0.364CS..EExtended strand (participates in β ladder)trans-110.6104.3171.8-57.9179.7000108.1L3 L46 C302 L327L3-L329 HydrophobicContact CD1-CD1 4.37Å; L46-L329 HydrophobicContact CB-CD2 4.02Å; C302-L329 HydrophobicContact CB-CB 4.09Å; C302-L329 PolarHBondContact N-O 2.99Å; C302-L329 PolarHBondContact O-N 3.16Å; L327-L329 HydrophobicContact CD2-CD2 4.27Å; L327-L329 HydrophobicContact CG-CD2 4.28Å
330K68.3Low62.4Low49 Ų4977.5 Ų77.521%0.21339%0.389CS..  trans-113.8158.8-176.661.5172-179.9172.10111.3E301 S333 E336E301-K330 HydrophobicContact CG-CB 4.21Å; K330-S333 PolarHBondContact NZ-OG 3.49Å; K330-E336 WeakPolarHBondContact CE-OE1 3.17Å; K330-E336 IonicContact NZ-OE1 3.65Å; K330-E336 PolarHBondContact NZ-OE1 3.19Å; K330-E336 IonicContact NZ-OE2 3.98Å
331L59.1Low59.6Low38 Ų3880.1 Ų80.120%0.19942%0.416CS..PPolyproline II helixtrans-63.8144.1161.6-67.1172.9000108.9Q51 W54 P299 S333Q51-L331 HydrophobicContact CB-CD2 3.78Å; Q51-L331 HydrophobicContact CG-CD2 3.78Å; W54-L331 HydrophobicContact CD2-CD1 4.25Å; W54-L331 HydrophobicContact CE3-CD1 4.09Å; W54-L331 HydrophobicContact CH2-CD1 4.45Å; W54-L331 HydrophobicContact CZ3-CD1 4.2Å; P299-L331 HydrophobicContact CB-CD1 4.08Å; L331-S333 PolarHBondContact O-N 3.45Å
332P50.1Low56.6Low70 Ų7084.3 Ų84.346%0.45545%0.445SS..PPolyproline II helixtrans-57.5127.6179.8-19.229.4000111.2
333S48.5Very low53.8Low50 Ų5085.4 Ų85.435%0.3546%0.458SS..PPolyproline II helixtrans-93.2145.6173.451.40000110.8K330 L331 E335 E336K330-S333 PolarHBondContact NZ-OG 3.49Å; L331-S333 PolarHBondContact O-N 3.45Å; S333-E335 PolarHBondContact O-N 3.21Å; S333-E336 PolarHBondContact O-N 2.75Å; S333-E336 VanDerWaalsContact O-N 3.09Å
334R38.3Very low50.8Low176 Ų17691.6 Ų91.666%0.66448%0.482SS*.Hα-helixtrans-46.1-34.8-176.5-163.4177176.2-174.11.6114.9E336 G337 D338R334-E336 PolarHBondContact O-N 2.91Å; R334-G337 PolarHBondContact O-N 3.46Å; R334-D338 IonicContact NE-OD2 3.25Å; R334-D338 PolarHBondContact O-N 2.97Å
335E39.3Very low48.1Very low166 Ų16691.9 Ų91.978%0.77650%0.498SS*.Hα-helixtrans-72.7-21.3-176-66.2-175.1165.100115.2S333S333-E335 PolarHBondContact O-N 3.21Å
336E38.7Very low45.5Very low115 Ų11595.2 Ų95.254%0.53753%0.526SS..Hα-helixtrans-85.8-19.2176-78.4171.1-16700111.9K330 S333 R334 L340K330-E336 WeakPolarHBondContact CE-OE1 3.17Å; K330-E336 IonicContact NZ-OE1 3.65Å; K330-E336 PolarHBondContact NZ-OE1 3.19Å; K330-E336 IonicContact NZ-OE2 3.98Å; S333-E336 PolarHBondContact O-N 2.75Å; S333-E336 VanDerWaalsContact O-N 3.09Å; R334-E336 PolarHBondContact O-N 2.91Å; E336-L340 VanDerWaalsContact O-CD1 3.27Å; E336-L340 WeakPolarHBondContact O-CD1 3.4Å
337G33.3Very low42.7Very low46 Ų4698.2 Ų98.247%0.47455%0.55SS..Hα-helixtrans-89.2-34.7-17800000114.5R334R334-G337 PolarHBondContact O-N 3.46Å
338D32.8Very low40.2Very low106 Ų106103.9 Ų103.957%0.56759%0.589SS**G310 helixtrans-82.7-15.8-172.4-76.8-21.9000113.9R334R334-D338 IonicContact NE-OD2 3.25Å; R334-D338 PolarHBondContact O-N 2.97Å
339N33.4Very low37.7Very low136 Ų136108.2 Ų108.273%0.72762%0.622SS**G310 helixtrans-88.1-0.2176.8-79.4-33.2000114.4
340L33.6Very low35.6Very low127 Ų127111.5 Ų111.567%0.66566%0.656SS**G310 helixtrans-90.4-6-177.5-81.1157000114E336 A356E336-L340 VanDerWaalsContact O-CD1 3.27Å; E336-L340 WeakPolarHBondContact O-CD1 3.4Å; L340-A356 HydrophobicContact CD2-CB 4.25Å
341A30.7Very low33.6Very low93 Ų93117.4 Ų117.477%0.76969%0.69SS**SBendtrans-108.22.9-17000000115.5
342S28.6Very low32Very low91 Ų91124.3 Ų124.364%0.63672%0.722SS**SBendtrans-154.152.9-17267.50000115.8
343Q27.7Very low30.8Very low195 Ų195125.4 Ų125.491%0.91174%0.736SS**  trans-147.373.2161.8-75.4-161.1-1800111.4
344E25.2Very low29.7Very low191 Ų191128.5 Ų128.589%0.89375%0.753SS**  trans-84.6132152.9-74.9-173161.400108.2
345S26.2Very low29.1Very low115 Ų115130 Ų13080%0.80476%0.76SS**  trans76.7101.617378.10000117.6
346S26.8Very low28.5Very low121 Ų121125.7 Ų125.785%0.84675%0.753SS**  163.7137.7112.553.10000111.7
347T25.8Very low28Very low141 Ų141128.1 Ų128.187%0.86576%0.762SS**  trans-66.7125.7-176.446.50000112.9
348S26.9Very low27.8Very low120 Ų120132 Ų13284%0.83978%0.778SS**  trans-165148.6144.459.70000112.4
349S26.9Very low27.7Very low126 Ų126131.9 Ų131.988%0.88179%0.786SS**  trans-61.8129.9-169.6510000115.7
350G27.4Very low27.4Very low69 Ų69135.5 Ų135.571%0.71180%0.795SS**  trans166.7125.5167.600000110.1E352G350-E352 PolarHBondContact O-N 2.82Å
351N25.8Very low27.1Very low174 Ų174137.4 Ų137.493%0.9380%0.798SS**SBendtrans-6398.5-171.7-73.8-25.6000113
352E25.4Very low27Very low183 Ų183138 Ų13886%0.85579%0.788SS**  trans-167.7100.3150.9-110.2171.2-164.700108.4G350G350-E352 PolarHBondContact O-N 2.82Å
353A24.8Very low27.1Very low92 Ų92136.5 Ų136.576%0.7677%0.77SS**  trans-92.8106.9177.100000109.6Y355A353-Y355 HydrophobicContact CB-CE2 4.41Å
354V26.4Very low27.1Very low116 Ų116130.6 Ų130.670%0.70376%0.755SS**  trans-108.1111.1166.5-1790000108
355Y25.8Very low27.4Very low208 Ų208126 Ų12682%0.81674%0.736SS**  trans-93.3133.3171.1-80.1-88.2000109.9A353A353-Y355 HydrophobicContact CB-CE2 4.41Å
356A26.2Very low27.8Very low74 Ų74125.4 Ų125.461%0.61272%0.724SS**  trans-100.7138.7174.700000111.4L340L340-A356 HydrophobicContact CD2-CB 4.25Å
357F29.5Very low28.2Very low166 Ų166125.7 Ų125.773%0.72872%0.715SS**  trans-119.1146.7169-79.3-77000111.1
358P27.8Very low28.6Very low127 Ų127122.6 Ų122.683%0.82569%0.693SS**  trans-83.2121.1-17532.3-30.4000110.9
359S31.2Very low29.1Very low104 Ų104124.1 Ų124.173%0.72769%0.687SS**  trans-101.2117.217367.90000111.4K361S359-K361 PolarHBondContact O-N 2.98Å
360K26.8Very low29.6Very low212 Ų212123.4 Ų123.492%0.92267%0.673SS**  trans-73.5113.3168-86.9-179.9174.6176.20109.8
361K28.3Very low30.2Very low167 Ų167123.9 Ų123.973%0.72666%0.659SS**  trans44.598.5144.2-66.4-172.1173.6-171.70118.7S359S359-K361 PolarHBondContact O-N 2.98Å
362L27.5Very low30.8Very low105 Ų105124 Ų12455%0.5565%0.651SS.*SBendtrans-143.328.3154.3-122.1134000114.1Q52Q52-L362 PolarHBondContact NE2-O 3.36Å; Q52-L362 VanDerWaalsContact NE2-O 3.11Å
363F30.1Very low31.7Very low61 Ų61119.7 Ų119.727%0.26863%0.634SS.*SBendtrans-139.3141.8157.3-69.7-77.6000106.2Q48 Q51 Q52 L55 D365Q48-F363 HydrophobicContact CG-CE2 3.89Å; Q51-F363 HydrophobicContact CG-CE1 4.5Å; Q51-F363 HydrophobicContact CG-CZ 3.95Å; Q52-F363 HydrophobicContact CG-CE1 3.97Å; Q52-F363 HydrophobicContact CG-CE2 4.2Å; Q52-F363 HydrophobicContact CG-CZ 3.4Å; Q52-F363 VanDerWaalsContact CG-CZ 3.4Å; L55-F363 HydrophobicContact CD1-CD1 4.43Å; L55-F363 HydrophobicContact CD1-CE1 3.63Å; L55-F363 HydrophobicContact CD1-CZ 4.38Å; F363-D365 PolarHBondContact O-N 2.86Å; F363-D365 VanDerWaalsContact O-N 3.13Å
364A27.6Very low32.4Very low71 Ų71119.8 Ų119.859%0.58762%0.621SS**  trans-59.1118.6156.900000105D366 L367A364-D366 PolarHBondContact O-N 2.93Å; A364-L367 PolarHBondContact O-N 2.8Å
365D31.7Very low33.5Very low93 Ų93120 Ų12050%0.49761%0.614SS.*THydrogen-bonded Turntrans-53.5-14.3177.9-70.3-51.2000111.6F363 Q369F363-D365 PolarHBondContact O-N 2.86Å; F363-D365 VanDerWaalsContact O-N 3.13Å; D365-Q369 WeakPolarHBondContact O-CB 3.4Å; D365-Q369 WeakPolarHBondContact O-CG 3.09Å; D365-Q369 PolarHBondContact O-N 3.27Å
366D35.9Very low34.9Very low104 Ų104111.3 Ų111.356%0.55658%0.583SS**Hα-helixtrans-70.1-36.5177.9-61.8-23.8000115A364 L368 D370A364-D366 PolarHBondContact O-N 2.93Å; D366-L368 PolarHBondContact O-N 3.34Å; D366-D370 WeakPolarHBondContact O-CA 3.46Å; D366-D370 WeakPolarHBondContact O-CB 3.43Å; D366-D370 PolarHBondContact O-N 3.3Å
367L33.6Very low36.8Very low126 Ų126110.2 Ų110.266%0.6657%0.567SS**Hα-helixtrans-76-23.4-169.9-137.799.9000114.3A364 L371A364-L367 PolarHBondContact O-N 2.8Å; L367-L371 WeakPolarHBondContact O-CG 3.17Å
368L35.6Very low38.7Very low77 Ų77102.4 Ų102.440%0.40353%0.533SS..Hα-helixtrans-99.9-28174.2-98.4102.7000113.2D366 L371D366-L368 PolarHBondContact O-N 3.34Å; L368-L371 HydrophobicContact CB-CD1 4.2Å; L368-L371 HydrophobicContact CD2-CD1 3.95Å; L368-L371 HydrophobicContact CG-CD1 3.59Å; L368-L371 HydrophobicContact CG-CG 4.43Å; L368-L371 WeakPolarHBondContact O-CB 3.5Å; L368-L371 PolarHBondContact O-N 2.9Å
369Q36.9Very low41.2Very low152 Ų15297.6 Ų97.671%0.7150%0.502SS*.Hα-helixtrans-77.2-27.1169.6-69-175.7-2.800112.3D365 L371D365-Q369 WeakPolarHBondContact O-CB 3.4Å; D365-Q369 WeakPolarHBondContact O-CG 3.09Å; D365-Q369 PolarHBondContact O-N 3.27Å; Q369-L371 PolarHBondContact O-N 2.89Å
370D37.5Very low43.9Very low110 Ų110101 Ų10159%0.58850%0.499SS*.SBendtrans-81.14.8166.6-70-35.2000113.1D366 K372D366-D370 WeakPolarHBondContact O-CA 3.46Å; D366-D370 WeakPolarHBondContact O-CB 3.43Å; D366-D370 PolarHBondContact O-N 3.3Å; D370-K372 PolarHBondContact O-N 3.45Å
371L39.1Very low47.1Very low79 Ų7991.3 Ų91.341%0.41446%0.457SS..  trans-70.456.8161.6-65.6168.7000111.1L367 L368 Q369 L373L367-L371 WeakPolarHBondContact O-CG 3.17Å; L368-L371 HydrophobicContact CB-CD1 4.2Å; L368-L371 HydrophobicContact CD2-CD1 3.95Å; L368-L371 HydrophobicContact CG-CD1 3.59Å; L368-L371 HydrophobicContact CG-CG 4.43Å; L368-L371 WeakPolarHBondContact O-CB 3.5Å; L368-L371 PolarHBondContact O-N 2.9Å; Q369-L371 PolarHBondContact O-N 2.89Å; L371-L373 VanDerWaalsContact CA-N 3.33Å; L371-L373 HydrophobicContact CB-CB 4.01Å; L371-L373 HydrophobicContact CD2-CB 3.4Å; L371-L373 HydrophobicContact CD2-CD1 3.5Å; L371-L373 VanDerWaalsContact CD2-CD1 3.5Å; L371-L373 HydrophobicContact CD2-CG 4.04Å; L371-L373 HydrophobicContact CG-CB 4.23Å; L371-L373 HydrophobicContact CG-CD1 4.39Å; L371-L373 PolarHBondContact O-N 3.01Å
372K38.9Very low50.2Low178 Ų17885.8 Ų85.877%0.77444%0.435SS*.G310 helixtrans-53.8-5.7137.1-74.1-177.4178.6174.50112.1D370 L374 H375D370-K372 PolarHBondContact O-N 3.45Å; K372-L374 PolarHBondContact O-N 2.99Å; K372-L374 VanDerWaalsContact O-N 3.12Å; K372-H375 PolarHBondContact O-N 3Å; K372-H375 PolarHBondContact O-ND1 3.38Å; K372-H375 VanDerWaalsContact O-ND1 3.08Å
373L44.5Very low53.4Low92 Ų9285.1 Ų85.148%0.48243%0.431SS..G310 helixtrans-64.411.4169.3-71.3153.7000114.7L371 H375 S376L371-L373 VanDerWaalsContact CA-N 3.33Å; L371-L373 HydrophobicContact CB-CB 4.01Å; L371-L373 HydrophobicContact CD2-CB 3.4Å; L371-L373 HydrophobicContact CD2-CD1 3.5Å; L371-L373 VanDerWaalsContact CD2-CD1 3.5Å; L371-L373 HydrophobicContact CD2-CG 4.04Å; L371-L373 HydrophobicContact CG-CB 4.23Å; L371-L373 HydrophobicContact CG-CD1 4.39Å; L371-L373 PolarHBondContact O-N 3.01Å; L373-H375 PolarHBondContact O-N 2.96Å; L373-S376 VanDerWaalsContact C-OG 3.22Å; L373-S376 WeakPolarHBondContact CA-OG 3.39Å; L373-S376 WeakPolarHBondContact CB-OG 2.96Å; L373-S376 WeakPolarHBondContact CD2-OG 3.32Å; L373-S376 WeakPolarHBondContact CG-OG 3.41Å; L373-S376 WeakPolarHBondContact O-CA 3.37Å; L373-S376 WeakPolarHBondContact O-CB 2.91Å; L373-S376 PolarHBondContact O-N 3.32Å; L373-S376 PolarHBondContact O-OG 3.21Å
374L39.7Very low56.5Low93 Ų9382.6 Ų82.649%0.48742%0.421SS..G310 helixtrans-55.9-25.9154.6-97.5160.8000111.4K372 S376K372-L374 PolarHBondContact O-N 2.99Å; K372-L374 VanDerWaalsContact O-N 3.12Å; L374-S376 PolarHBondContact O-N 3.2Å
375H50.2Low59.8Low120 Ų12083.7 Ų83.756%0.55641%0.414SS*.G310 helixtrans-71.48.3165.7-58.2118.3000114.6K372 L373 T435 N439K372-H375 PolarHBondContact O-N 3Å; K372-H375 PolarHBondContact O-ND1 3.38Å; K372-H375 VanDerWaalsContact O-ND1 3.08Å; L373-H375 PolarHBondContact O-N 2.96Å; H375-T435 WeakPolarHBondContact O-CG2 3.49Å; H375-N439 PolarHBondContact O-ND2 2.76Å; H375-N439 PolarHBondContact O-OD1 2.84Å
376S54.8Low62.7Low26 Ų2679.4 Ų79.418%0.18239%0.391CS..G310 helixtrans-109.3-18.4-176.9-32.60000113L373 L374 P378 I432 T435L373-S376 VanDerWaalsContact C-OG 3.22Å; L373-S376 WeakPolarHBondContact CA-OG 3.39Å; L373-S376 WeakPolarHBondContact CB-OG 2.96Å; L373-S376 WeakPolarHBondContact CD2-OG 3.32Å; L373-S376 WeakPolarHBondContact CG-OG 3.41Å; L373-S376 WeakPolarHBondContact O-CA 3.37Å; L373-S376 WeakPolarHBondContact O-CB 2.91Å; L373-S376 PolarHBondContact O-N 3.32Å; L373-S376 PolarHBondContact O-OG 3.21Å; L374-S376 PolarHBondContact O-N 3.2Å; S376-P378 WeakPolarHBondContact O-CD 3.44Å; S376-I432 WeakPolarHBondContact O-CD1 3.45Å; S376-T435 VanDerWaalsContact CA-CG2 3.49Å; S376-T435 VanDerWaalsContact O-CB 3.32Å; S376-T435 WeakPolarHBondContact O-CB 3.24Å; S376-T435 WeakPolarHBondContact O-CG2 3.22Å; S376-T435 PolarHBondContact O-OG1 3.28Å
377I66Low65.5Low52 Ų5279.7 Ų79.727%0.26740%0.397SS..SBendtrans-75118.5171.6-54.3-159.6000106.3F401 W428I377-F401 WeakPolarHBondContact O-CE2 3Å; I377-F401 WeakPolarHBondContact O-CZ 3.25Å; I377-W428 HydrophobicContact CB-CH2 3.74Å; I377-W428 HydrophobicContact CB-CZ3 4.37Å; I377-W428 HydrophobicContact CD1-CH2 3.8Å; I377-W428 HydrophobicContact CG1-CH2 3.58Å; I377-W428 HydrophobicContact CG1-CZ2 4.32Å; I377-W428 HydrophobicContact CG2-CH2 3.4Å; I377-W428 VanDerWaalsContact CG2-CH2 3.4Å; I377-W428 HydrophobicContact CG2-CZ3 3.53Å
378P68.7Low68.1Low1 Ų173.8 Ų73.81%0.00637%0.366CS..PPolyproline II helixtrans-62.6141.3174.826.9-32.6000108.7S376 Y398 H431 T435 L438S376-P378 WeakPolarHBondContact O-CD 3.44Å; P378-Y398 HydrophobicContact CB-CD1 3.95Å; P378-Y398 HydrophobicContact CB-CE1 3.79Å; P378-Y398 HydrophobicContact CG-CE1 4.34Å; P378-H431 HydrophobicContact CG-CB 4.18Å; P378-T435 WeakPolarHBondContact CD-OG1 3.48Å; P378-L438 HydrophobicContact CB-CD1 4.14Å
379P81.2Confident70.6Confident27 Ų2776.5 Ų76.518%0.17537%0.374CS..PPolyproline II helixtrans-60.3156.7172.523.8-28.6000109.7P381 Y398 R399 F401 L438P379-P381 WeakPolarHBondContact O-CD 3.1Å; P379-P381 VanDerWaalsContact O-N 3.13Å; P379-Y398 WeakPolarHBondContact O-CD1 3.31Å; P379-Y398 WeakPolarHBondContact O-CE1 3.08Å; P379-R399 WeakPolarHBondContact CG-O 3.46Å; P379-F401 HydrophobicContact CB-CD1 4.14Å; P379-F401 HydrophobicContact CB-CE1 3.72Å; P379-F401 HydrophobicContact CB-CZ 3.97Å; P379-F401 HydrophobicContact CG-CE1 4.33Å; P379-F401 HydrophobicContact CG-CE2 4.42Å; P379-F401 HydrophobicContact CG-CZ 4.28Å; P379-L438 HydrophobicContact CG-CD1 4.3Å
380R88.2Confident73Confident175 Ų17577 Ų7766%0.6638%0.382SS*.PPolyproline II helixtrans-55.1123174.9-174.2171.8-68.8-174-0.9109.2V296 T297V296-R380 HydrophobicContact CG2-CG 4.14Å; T297-R380 HydrophobicContact CG2-CB 3.84Å
381P92.2Very high75.6Confident9 Ų974.5 Ų74.56%0.05837%0.366CS..PPolyproline II helixtrans-67.6151.2-179.827.7-33.8000110.7V296 P379 Y396 L397 Y398V296-P381 HydrophobicContact CB-CG 4.43Å; V296-P381 HydrophobicContact CG1-CG 4.2Å; V296-P381 HydrophobicContact CG2-CG 4.46Å; P379-P381 WeakPolarHBondContact O-CD 3.1Å; P379-P381 VanDerWaalsContact O-N 3.13Å; P381-Y396 HydrophobicContact CB-CD1 4.12Å; P381-Y396 HydrophobicContact CB-CD2 4.21Å; P381-Y396 HydrophobicContact CB-CG 3.76Å; P381-Y396 HydrophobicContact CG-CD1 3.93Å; P381-Y396 HydrophobicContact CG-CD2 3.78Å; P381-Y396 HydrophobicContact CG-CE1 4.22Å; P381-Y396 HydrophobicContact CG-CE2 4.07Å; P381-Y396 HydrophobicContact CG-CG 3.72Å; P381-L397 WeakPolarHBondContact CA-O 3.46Å; P381-Y398 HydrophobicContact CB-CD1 3.99Å; P381-Y398 HydrophobicContact CB-CD2 4.16Å; P381-Y398 HydrophobicContact CB-CE1 3.7Å; P381-Y398 HydrophobicContact CB-CE2 3.87Å; P381-Y398 HydrophobicContact CB-CG 4.21Å; P381-Y398 HydrophobicContact CG-CE1 3.87Å; P381-Y398 HydrophobicContact CG-CE2 4.31Å
382L94.2Very high78.3Confident50 Ų5074.6 Ų74.626%0.26236%0.363SS..EExtended strand (participates in β ladder)trans-76.5127.3164.5-64.6173.5000108.9Y396 L397L382-Y396 WeakPolarHBondContact O-CA 3.42Å; L382-L397 HydrophobicContact CB-CB 4.28Å; L382-L397 HydrophobicContact CD1-CD2 4.12Å; L382-L397 PolarHBondContact N-O 3.36Å; L382-L397 PolarHBondContact O-N 3.38Å
383I94.7Very high81Confident91 Ų9166.1 Ų66.147%0.46733%0.326SS..EExtended strand (participates in β ladder)trans-92.1128.9178.4-49.5-175.3000108.6L245 Y394 S395 Y396L245-I383 HydrophobicContact CD1-CD1 4.06Å; L245-I383 HydrophobicContact CD1-CG2 4.39Å; I383-Y394 HydrophobicContact CG2-CD1 4.47Å; I383-S395 WeakPolarHBondContact CA-O 3.23Å; I383-Y396 HydrophobicContact CD1-CE1 3.9Å; I383-Y396 HydrophobicContact CG1-CD1 3.95Å; I383-Y396 HydrophobicContact CG1-CE1 3.68Å; I383-Y396 HydrophobicContact CG2-CE1 4.38Å
384T96.2Very high83.5Confident8 Ų863 Ų635%0.04931%0.308CS..EExtended strand (participates in β ladder)trans-124.3125.5174.2-51.40000109.6V386 S395 R481 I482 V485 H486T384-V386 HydrophobicContact CG2-CG2 4.14Å; T384-S395 PolarHBondContact N-O 2.9Å; T384-S395 PolarHBondContact O-N 3.37Å; T384-R481 HydrophobicContact CG2-CG 4.32Å; T384-I482 HydrophobicContact CG2-CG1 4.17Å; T384-V485 HydrophobicContact CG2-CG2 4.43Å; T384-H486 PolarHBondContact OG1-NE2 2.83Å
385E95.7Very high86.2Confident94 Ų9458.6 Ų58.644%0.43929%0.285SS..EExtended strand (participates in β ladder)trans-86.6125.1168.6-58.6-170.1157.800109.2K392 L393 Y394E385-K392 HydrophobicContact CB-CD 4.31Å; E385-K392 HydrophobicContact CB-CG 4.2Å; E385-K392 HydrophobicContact CG-CD 4.2Å; E385-K392 IonicContact OE1-NZ 3.89Å; E385-K392 PolarHBondContact OE1-NZ 2.76Å; E385-K392 WeakPolarHBondContact OE2-CD 3.36Å; E385-K392 VanDerWaalsContact OE2-CE 3.27Å; E385-K392 WeakPolarHBondContact OE2-CE 3.29Å; E385-K392 IonicContact OE2-NZ 2.75Å; E385-K392 PolarHBondContact OE2-NZ 2.65Å; E385-L393 WeakPolarHBondContact CA-O 3.4Å; E385-Y394 HydrophobicContact CG-CD1 4.37Å; E385-Y394 HydrophobicContact CG-CE1 4.06Å
386V93.8Very high88.3Confident4 Ų453 Ų532%0.02426%0.259CS..EExtended strand (participates in β ladder)trans-117.6131.4-179.4-176.20000108T384 K392 L393 A478 R481T384-V386 HydrophobicContact CG2-CG2 4.14Å; V386-K392 CarbonylContact O-C 3.48Å; V386-K392 WeakPolarHBondContact O-CA 3.4Å; V386-L393 HydrophobicContact CB-CB 4.26Å; V386-L393 PolarHBondContact N-O 3.45Å; V386-L393 PolarHBondContact O-N 2.94Å; V386-A478 HydrophobicContact CG1-CB 4.41Å; V386-A478 HydrophobicContact CG2-CB 4.05Å; V386-R481 HydrophobicContact CB-CG 4.39Å; V386-R481 HydrophobicContact CG1-CB 3.96Å; V386-R481 HydrophobicContact CG1-CG 4.13Å; V386-R481 HydrophobicContact CG2-CB 4.01Å; V386-R481 HydrophobicContact CG2-CG 3.84Å
387V93Very high90.2Very high110 Ų11051.8 Ų51.867%0.66725%0.251SS*.EExtended strand (participates in β ladder)trans-94.6120.1173.4-179.60000108.6F391V387-F391 WeakPolarHBondContact CA-O 3.49Å
388S89.4Confident91.6Very high2 Ų249.4 Ų49.41%0.01424%0.238CC..EExtended strand (participates in β ladder)trans-125.4115.9173.9-169.40000109.4N390 F391 D474 N477S388-N390 VanDerWaalsContact C-N 3.3Å; S388-N390 PolarHBondContact O-N 3.4Å; S388-F391 PolarHBondContact N-O 2.81Å; S388-F391 WeakPolarHBondContact O-CB 3.03Å; S388-F391 PolarHBondContact O-N 3.19Å; S388-D474 VanDerWaalsContact CB-OD1 3.25Å; S388-D474 WeakPolarHBondContact CB-OD1 3.24Å; S388-D474 PolarHBondContact OG-OD1 2.76Å; S388-N477 PolarHBondContact OG-ND2 3.25Å
389K86.7Confident92.7Very high134 Ų13452.2 Ų52.258%0.58325%0.249SC*.THydrogen-bonded Turntrans45.249.6-179.9-56.7-69.8-174.51770113.5F391 E473K389-F391 WeakPolarHBondContact O-CD2 3.34Å; K389-F391 PolarHBondContact O-N 3.27Å; K389-E473 WeakPolarHBondContact CE-OE1 3.31Å; K389-E473 IonicContact NZ-OE1 2.84Å
390N89.1Confident93.2Very high161 Ų16151.3 Ų51.386%0.86124%0.243SC*.THydrogen-bonded Turntrans73.1-3.2-177.9-50.3-32.8000116.4S388S388-N390 VanDerWaalsContact C-N 3.3Å; S388-N390 PolarHBondContact O-N 3.4Å
391F92.1Very high92.9Very high58 Ų5848.3 Ų48.325%0.25424%0.235SC..EExtended strand (participates in β ladder)trans-93.4134.2171.8-65-81.5000110.7V387 S388 K389 L393 R450 F459V387-F391 WeakPolarHBondContact CA-O 3.49Å; S388-F391 PolarHBondContact N-O 2.81Å; S388-F391 WeakPolarHBondContact O-CB 3.03Å; S388-F391 PolarHBondContact O-N 3.19Å; K389-F391 WeakPolarHBondContact O-CD2 3.34Å; K389-F391 PolarHBondContact O-N 3.27Å; F391-L393 HydrophobicContact CB-CD2 4.43Å; F391-R450 HydrophobicContact CB-CG 4.2Å; F391-R450 HydrophobicContact CD2-CG 4.01Å; F391-R450 HydrophobicContact CG-CG 4.12Å; F391-F459 HydrophobicContact CB-CD2 4.09Å; F391-F459 HydrophobicContact CB-CE2 4.04Å; F391-F459 HydrophobicContact CD1-CB 4.37Å; F391-F459 AromaticContact CD1-CD2 3.61Å; F391-F459 HydrophobicContact CD1-CD2 3.61Å; F391-F459 HydrophobicContact CD1-CE2 4.41Å; F391-F459 HydrophobicContact CD1-CG 4.41Å; F391-F459 HydrophobicContact CE1-CB 4.29Å; F391-F459 HydrophobicContact CE1-CD2 4.34Å; F391-F459 HydrophobicContact CG-CD2 4.08Å; F391-F459 HydrophobicContact CG-CE2 4.5Å
392K94.8Very high92.6Very high82 Ų8253.9 Ų53.936%0.35726%0.264SS..EExtended strand (participates in β ladder)trans-80.5120.6169-175.6-173.7-69.2-156.10109E385 V386 Y394 R455E385-K392 HydrophobicContact CB-CD 4.31Å; E385-K392 HydrophobicContact CB-CG 4.2Å; E385-K392 HydrophobicContact CG-CD 4.2Å; E385-K392 IonicContact OE1-NZ 3.89Å; E385-K392 PolarHBondContact OE1-NZ 2.76Å; E385-K392 WeakPolarHBondContact OE2-CD 3.36Å; E385-K392 VanDerWaalsContact OE2-CE 3.27Å; E385-K392 WeakPolarHBondContact OE2-CE 3.29Å; E385-K392 IonicContact OE2-NZ 2.75Å; E385-K392 PolarHBondContact OE2-NZ 2.65Å; V386-K392 CarbonylContact O-C 3.48Å; V386-K392 WeakPolarHBondContact O-CA 3.4Å; K392-Y394 HydrophobicContact CD-CE2 4.16Å; K392-Y394 WeakPolarHBondContact CD-OH 3.47Å; K392-Y394 HydrophobicContact CG-CE2 4.4Å; K392-R455 PolarHBondContact O-NH1 3.5Å; K392-R455 PolarHBondContact O-NH2 3.2Å
393L96.1Very high92.5Very high0 Ų053.4 Ų53.40%026%0.259CS..EExtended strand (participates in β ladder)trans-99.2145.2172.9-45-176.7000109.3E385 V386 F391 T447 R450 F459 D474E385-L393 WeakPolarHBondContact CA-O 3.4Å; V386-L393 HydrophobicContact CB-CB 4.26Å; V386-L393 PolarHBondContact N-O 3.45Å; V386-L393 PolarHBondContact O-N 2.94Å; F391-L393 HydrophobicContact CB-CD2 4.43Å; L393-T447 HydrophobicContact CB-CG2 4.28Å; L393-T447 HydrophobicContact CD1-CG2 4.29Å; L393-R450 HydrophobicContact CD2-CG 4.45Å; L393-F459 HydrophobicContact CD2-CE2 3.79Å; L393-F459 HydrophobicContact CD2-CZ 3.85Å; L393-D474 HydrophobicContact CD1-CB 3.67Å
394Y95.9Very high92.4Very high27 Ų2756.5 Ų56.511%0.10627%0.269CS..EExtended strand (participates in β ladder)trans-104.5132.6173.5-70.7-88.9000109.2P244 L245 I383 E385 K392 D448P244-Y394 HydrophobicContact CB-CE2 4.38Å; P244-Y394 HydrophobicContact CG-CD2 4.08Å; P244-Y394 HydrophobicContact CG-CE1 4.45Å; P244-Y394 HydrophobicContact CG-CE2 3.37Å; L245-Y394 HydrophobicContact CD1-CD1 4.01Å; L245-Y394 HydrophobicContact CD1-CE1 4.32Å; L245-Y394 HydrophobicContact CD2-CD1 3.91Å; L245-Y394 HydrophobicContact CD2-CG 3.88Å; L245-Y394 HydrophobicContact CG-CD1 4.14Å; L245-Y394 HydrophobicContact CG-CE1 4.42Å; I383-Y394 HydrophobicContact CG2-CD1 4.47Å; E385-Y394 HydrophobicContact CG-CD1 4.37Å; E385-Y394 HydrophobicContact CG-CE1 4.06Å; K392-Y394 HydrophobicContact CD-CE2 4.16Å; K392-Y394 WeakPolarHBondContact CD-OH 3.47Å; K392-Y394 HydrophobicContact CG-CE2 4.4Å; Y394-D448 PolarHBondContact O-N 2.65Å; Y394-D448 VanDerWaalsContact O-N 3.12Å
395S96.4Very high92.2Very high0 Ų064.1 Ų64.10%030%0.304CS..EExtended strand (participates in β ladder)trans-131.5142.1178.4-50.80000111.8I383 T384 M446 T447I383-S395 WeakPolarHBondContact CA-O 3.23Å; T384-S395 PolarHBondContact N-O 2.9Å; T384-S395 PolarHBondContact O-N 3.37Å; S395-M446 CarbonylContact C-O 3.49Å; S395-M446 WeakPolarHBondContact CA-O 3.08Å; S395-T447 WeakPolarHBondContact CB-OG1 3.41Å; S395-T447 WeakPolarHBondContact OG-CB 3.11Å; S395-T447 WeakPolarHBondContact OG-CG2 3.45Å; S395-T447 PolarHBondContact OG-OG1 2.96Å
396Y95.1Very high92Very high2 Ų262.9 Ų62.91%0.00832%0.316CS..EExtended strand (participates in β ladder)trans-103.2136.7167.8-72.4-12.5000110.4V296 P381 L382 I383 Y398 V424 R425 N426 H431 V445 M446V296-Y396 HydrophobicContact CG1-CE2 3.96Å; P381-Y396 HydrophobicContact CB-CD1 4.12Å; P381-Y396 HydrophobicContact CB-CD2 4.21Å; P381-Y396 HydrophobicContact CB-CG 3.76Å; P381-Y396 HydrophobicContact CG-CD1 3.93Å; P381-Y396 HydrophobicContact CG-CD2 3.78Å; P381-Y396 HydrophobicContact CG-CE1 4.22Å; P381-Y396 HydrophobicContact CG-CE2 4.07Å; P381-Y396 HydrophobicContact CG-CG 3.72Å; L382-Y396 WeakPolarHBondContact O-CA 3.42Å; I383-Y396 HydrophobicContact CD1-CE1 3.9Å; I383-Y396 HydrophobicContact CG1-CD1 3.95Å; I383-Y396 HydrophobicContact CG1-CE1 3.68Å; I383-Y396 HydrophobicContact CG2-CE1 4.38Å; Y396-Y398 HydrophobicContact CD2-CE2 4.13Å; Y396-Y398 HydrophobicContact CG-CE2 4.45Å; Y396-V424 HydrophobicContact CD1-CG1 3.54Å; Y396-V424 HydrophobicContact CD2-CG1 3.95Å; Y396-V424 HydrophobicContact CE1-CG1 3.47Å; Y396-V424 VanDerWaalsContact CE1-CG1 3.47Å; Y396-V424 HydrophobicContact CE2-CG1 3.9Å; Y396-V424 HydrophobicContact CG-CG1 3.78Å; Y396-R425 PolarHBondContact OH-O 2.88Å; Y396-N426 PolarHBondContact OH-N 3Å; Y396-H431 AromaticContact CE2-NE2 3.77Å; Y396-V445 WeakPolarHBondContact O-CA 3.25Å; Y396-M446 PolarHBondContact N-O 3.26Å; Y396-M446 PolarHBondContact O-N 3.14Å
397L95.6Very high92.1Very high1 Ų166.8 Ų66.81%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-116114.1164.517066.4000108.7P381 L382 R399 A443 V444 V445 I482 H486P381-L397 WeakPolarHBondContact CA-O 3.46Å; L382-L397 HydrophobicContact CB-CB 4.28Å; L382-L397 HydrophobicContact CD1-CD2 4.12Å; L382-L397 PolarHBondContact N-O 3.36Å; L382-L397 PolarHBondContact O-N 3.38Å; L397-R399 HydrophobicContact CD2-CG 4.47Å; L397-R399 HydrophobicContact CG-CG 4.22Å; L397-A443 HydrophobicContact CD1-CB 4.14Å; L397-V444 WeakPolarHBondContact CA-O 3.08Å; L397-V445 HydrophobicContact CD1-CG2 3.91Å; L397-I482 HydrophobicContact CB-CG2 4.02Å; L397-I482 HydrophobicContact CD1-CG2 4.36Å; L397-I482 HydrophobicContact CD2-CG2 3.81Å; L397-I482 HydrophobicContact CG-CG2 4.28Å; L397-H486 HydrophobicContact CD2-CB 3.83Å
398Y93.5Very high92.3Very high1 Ų164.7 Ų64.70%0.00432%0.321CS..EExtended strand (participates in β ladder)trans-93.3143.1168-66.8-89.7000110.4P378 P379 P381 Y396 H431 L434 L438 A443 V444 M446P378-Y398 HydrophobicContact CB-CD1 3.95Å; P378-Y398 HydrophobicContact CB-CE1 3.79Å; P378-Y398 HydrophobicContact CG-CE1 4.34Å; P379-Y398 WeakPolarHBondContact O-CD1 3.31Å; P379-Y398 WeakPolarHBondContact O-CE1 3.08Å; P381-Y398 HydrophobicContact CB-CD1 3.99Å; P381-Y398 HydrophobicContact CB-CD2 4.16Å; P381-Y398 HydrophobicContact CB-CE1 3.7Å; P381-Y398 HydrophobicContact CB-CE2 3.87Å; P381-Y398 HydrophobicContact CB-CG 4.21Å; P381-Y398 HydrophobicContact CG-CE1 3.87Å; P381-Y398 HydrophobicContact CG-CE2 4.31Å; Y396-Y398 HydrophobicContact CD2-CE2 4.13Å; Y396-Y398 HydrophobicContact CG-CE2 4.45Å; Y398-H431 AromaticContact CZ-CG 3.92Å; Y398-H431 WeakPolarHBondContact OH-CB 3.02Å; Y398-H431 PolarHBondContact OH-CD2 2.87Å; Y398-H431 PolarHBondContact OH-ND1 2.86Å; Y398-L434 HydrophobicContact CD2-CD1 4.14Å; Y398-L434 HydrophobicContact CE2-CD1 3.96Å; Y398-L438 HydrophobicContact CD1-CD1 4.23Å; Y398-L438 HydrophobicContact CG-CD1 4.39Å; Y398-A443 WeakPolarHBondContact O-CA 3.5Å; Y398-V444 PolarHBondContact N-O 3.42Å; Y398-V444 PolarHBondContact O-N 3.45Å; Y398-V444 VanDerWaalsContact O-N 3.11Å; Y398-M446 HydrophobicContact CE2-SD 4.27Å
399R93.3Very high92.6Very high61 Ų6164.8 Ų64.823%0.2332%0.322CS..  trans-130.3150.5176.4-60.8177.7-67.4177.52.1108.7P379 L397 W403 T488P379-R399 WeakPolarHBondContact CG-O 3.46Å; L397-R399 HydrophobicContact CD2-CG 4.47Å; L397-R399 HydrophobicContact CG-CG 4.22Å; R399-W403 HydrophobicContact CB-CB 4.23Å; R399-W403 HydrophobicContact CB-CG 4.29Å; R399-T488 HydrophobicContact CG-CG2 4.01Å
400P90.7Very high93.2Very high8 Ų859.2 Ų59.25%0.05230%0.299CS..  trans-53.8150.5169.5-24.234.2000112.1D402 W403 L409 L438P400-D402 VanDerWaalsContact CB-OD1 3.24Å; P400-D402 WeakPolarHBondContact CB-OD1 3.26Å; P400-D402 PolarHBondContact O-N 2.87Å; P400-W403 VanDerWaalsContact O-CB 3.25Å; P400-W403 WeakPolarHBondContact O-CB 3.25Å; P400-W403 PolarHBondContact O-N 2.96Å; P400-L409 VanDerWaalsContact CD-CD1 3.44Å; P400-L409 HydrophobicContact CG-CD1 4.05Å; P400-L438 WeakPolarHBondContact CB-O 3.45Å; P400-L438 WeakPolarHBondContact CG-O 3.36Å
401F82.1Confident93.6Very high112 Ų11251.5 Ų51.549%0.49126%0.258SS..THydrogen-bonded Turntrans-62-31.8179.2-80.9-76.5000113.3I377 P379 W403I377-F401 WeakPolarHBondContact O-CE2 3Å; I377-F401 WeakPolarHBondContact O-CZ 3.25Å; P379-F401 HydrophobicContact CB-CD1 4.14Å; P379-F401 HydrophobicContact CB-CE1 3.72Å; P379-F401 HydrophobicContact CB-CZ 3.97Å; P379-F401 HydrophobicContact CG-CE1 4.33Å; P379-F401 HydrophobicContact CG-CE2 4.42Å; P379-F401 HydrophobicContact CG-CZ 4.28Å; F401-W403 VanDerWaalsContact C-N 3.35Å
402D86Confident93.9Very high126 Ų12648.8 Ų48.867%0.67425%0.246SC*.THydrogen-bonded Turntrans-92.69.1-17967-28.6000113.4P400P400-D402 VanDerWaalsContact CB-OD1 3.24Å; P400-D402 WeakPolarHBondContact CB-OD1 3.26Å; P400-D402 PolarHBondContact O-N 2.87Å
403W92.5Very high94.1Very high40 Ų4044.9 Ų44.915%0.15223%0.229CC..  trans-57.8137.3176.9175.280.1000111.9R399 P400 F401 Q405 Q407 L409 T488R399-W403 HydrophobicContact CB-CB 4.23Å; R399-W403 HydrophobicContact CB-CG 4.29Å; P400-W403 VanDerWaalsContact O-CB 3.25Å; P400-W403 WeakPolarHBondContact O-CB 3.25Å; P400-W403 PolarHBondContact O-N 2.96Å; F401-W403 VanDerWaalsContact C-N 3.35Å; W403-Q405 HydrophobicContact CH2-CB 4.46Å; W403-Q405 VanDerWaalsContact CH2-OE1 3.27Å; W403-Q407 PolarHBondContact NE1-O 2.73Å; W403-L409 HydrophobicContact CG-CD1 4.49Å; W403-T488 HydrophobicContact CZ2-CG2 4.4Å
404K93.4Very high94.1Very high156 Ų15645.4 Ų45.468%0.67823%0.231SC*.  trans-109.7144.6179.9-62.2178.6-176.4174.20111.9G406 Q407K404-G406 PolarHBondContact O-N 3.4Å; K404-Q407 WeakPolarHBondContact O-CB 3.28Å; K404-Q407 PolarHBondContact O-N 2.9Å
405Q90.9Very high94Very high168 Ų16844.2 Ų44.279%0.78523%0.227SC*.THydrogen-bonded Turntrans-53.5128.8176.3-171.66822.500111.1W403 Q407W403-Q405 HydrophobicContact CH2-CB 4.46Å; W403-Q405 VanDerWaalsContact CH2-OE1 3.27Å; Q405-Q407 VanDerWaalsContact C-N 3.35Å
406G91.6Very high93.9Very high68 Ų6844.9 Ų44.970%0.70123%0.229SC*.THydrogen-bonded Turntrans89.2-12.1-178.300000115K404 V408K404-G406 PolarHBondContact O-N 3.4Å; G406-V408 PolarHBondContact O-N 3.35Å
407Q95.5Very high93.6Very high86 Ų8644.9 Ų44.940%0.40223%0.231SC..  trans-70.5129.5174.9-173.8-178.57.700110.9W403 K404 Q405 L409W403-Q407 PolarHBondContact NE1-O 2.73Å; K404-Q407 WeakPolarHBondContact O-CB 3.28Å; K404-Q407 PolarHBondContact O-N 2.9Å; Q405-Q407 VanDerWaalsContact C-N 3.35Å; Q407-L409 HydrophobicContact CG-CD2 3.85Å
408V96.8Very high93.1Very high65 Ų6544.9 Ų44.939%0.39423%0.23SC..  trans-97.3138.2169.4-63.90000110.4G406 G487 T488 D490G406-V408 PolarHBondContact O-N 3.35Å; V408-G487 WeakPolarHBondContact CG1-O 3.44Å; V408-T488 CarbonylContact C-O 3.59Å; V408-T488 VanDerWaalsContact CA-O 3.26Å; V408-T488 WeakPolarHBondContact CA-O 3.42Å; V408-D490 HydrophobicContact CB-CB 4.28Å; V408-D490 HydrophobicContact CG2-CB 4.44Å
409L97.5Very high92.8Very high4 Ų444.9 Ų44.92%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-120.1145.9-171.4-61.6178.9000111.9P400 W403 Q407 T411 A443 T488 D490P400-L409 VanDerWaalsContact CD-CD1 3.44Å; P400-L409 HydrophobicContact CG-CD1 4.05Å; W403-L409 HydrophobicContact CG-CD1 4.49Å; Q407-L409 HydrophobicContact CG-CD2 3.85Å; L409-T411 PolarHBondContact O-N 3.19Å; L409-T411 PolarHBondContact O-OG1 3.46Å; L409-T411 VanDerWaalsContact O-OG1 3.07Å; L409-A443 HydrophobicContact CB-CB 4.01Å; L409-A443 HydrophobicContact CD1-CB 3.98Å; L409-T488 HydrophobicContact CD1-CG2 3.9Å; L409-T488 HydrophobicContact CG-CG2 4.12Å; L409-T488 PolarHBondContact N-O 2.7Å; L409-D490 WeakPolarHBondContact O-CB 3.39Å; L409-D490 PolarHBondContact O-N 3.46Å
410P98Very high92Very high17 Ų1743.2 Ų43.211%0.1123%0.233CC..EExtended strand (participates in β ladder)trans-58.3137.2161.329.9-33.7000108.3Y442 A443 R493 L633P410-Y442 HydrophobicContact CB-CD1 3.79Å; P410-Y442 HydrophobicContact CB-CE1 3.9Å; P410-Y442 HydrophobicContact CG-CD1 3.7Å; P410-Y442 HydrophobicContact CG-CE1 3.89Å; P410-Y442 WeakPolarHBondContact O-CA 3.36Å; P410-A443 PolarHBondContact O-N 3.26Å; P410-R493 WeakPolarHBondContact CA-O 3.49Å; P410-R493 HydrophobicContact CB-CB 4.06Å; P410-L633 HydrophobicContact CB-CD2 4.38Å; P410-L633 HydrophobicContact CB-CG 4.34Å
411T98.4Very high91.7Very high0 Ų043.2 Ų43.20%023%0.232CC..EExtended strand (participates in β ladder)trans-123.8133.5-166.9-60.10000110.9L409 A443 V445 L479 I489 R493 V494 A495L409-T411 PolarHBondContact O-N 3.19Å; L409-T411 PolarHBondContact O-OG1 3.46Å; L409-T411 VanDerWaalsContact O-OG1 3.07Å; T411-A443 CarbonylContact C-O 3.58Å; T411-A443 WeakPolarHBondContact CA-O 3.33Å; T411-A443 HydrophobicContact CG2-CB 4.31Å; T411-V445 HydrophobicContact CG2-CB 4.38Å; T411-V445 HydrophobicContact CG2-CG2 3.77Å; T411-L479 HydrophobicContact CG2-CD1 4.48Å; T411-I489 HydrophobicContact CG2-CG1 4.18Å; T411-I489 HydrophobicContact CG2-CG2 4.4Å; T411-R493 PolarHBondContact N-O 3.26Å; T411-V494 CarbonylContact O-C 3.5Å; T411-V494 VanDerWaalsContact O-CA 3.25Å; T411-V494 WeakPolarHBondContact O-CA 3.44Å; T411-A495 PolarHBondContact O-N 3.24Å
412I98Very high92Very high0 Ų038.6 Ų38.60%021%0.212CC..EExtended strand (participates in β ladder)trans-100.8117.6170-59.3173.8000107.9Y414 Y437 Y442 A443 V444 V445 A495 M497 L629I412-Y414 PolarHBondContact O-N 3.5Å; I412-Y437 HydrophobicContact CD1-CD1 3.4Å; I412-Y437 HydrophobicContact CD1-CD2 4.14Å; I412-Y437 HydrophobicContact CD1-CE1 3.98Å; I412-Y437 HydrophobicContact CD1-CG 3.51Å; I412-Y442 HydrophobicContact CD1-CD1 4.31Å; I412-Y442 HydrophobicContact CD1-CD2 4.47Å; I412-Y442 HydrophobicContact CD1-CG 4.04Å; I412-Y442 HydrophobicContact CG1-CD1 4.2Å; I412-Y442 HydrophobicContact CG1-CG 4.32Å; I412-A443 PolarHBondContact N-O 3.04Å; I412-V444 HydrophobicContact CB-CG2 4.45Å; I412-V444 CarbonylContact O-C 3.52Å; I412-V444 WeakPolarHBondContact O-CA 3.36Å; I412-V445 PolarHBondContact O-N 2.92Å; I412-A495 HydrophobicContact CG1-CB 4.36Å; I412-M497 HydrophobicContact CG2-CB 4.25Å; I412-M497 HydrophobicContact CG2-CE 3.73Å; I412-L629 HydrophobicContact CD1-CD1 3.76Å
413V98.1Very high92.1Very high1 Ų132.7 Ų32.71%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-84.4103.8163.8179.40000107.1V445 L479 V494 A495 L496 M497 F517V413-V445 CarbonylContact C-O 3.54Å; V413-V445 WeakPolarHBondContact CA-O 3.49Å; V413-V445 HydrophobicContact CG2-CB 4.29Å; V413-L479 HydrophobicContact CG2-CD1 3.81Å; V413-L479 HydrophobicContact CG2-CD2 4.47Å; V413-V494 HydrophobicContact CG2-CG1 3.71Å; V413-A495 PolarHBondContact N-O 3.33Å; V413-L496 HydrophobicContact CB-CD1 3.85Å; V413-L496 HydrophobicContact CG1-CD1 3.6Å; V413-M497 PolarHBondContact O-N 2.88Å; V413-F517 HydrophobicContact CB-CE1 4.46Å; V413-F517 HydrophobicContact CG2-CE1 4.23Å
414Y95.9Very high92.1Very high10 Ų1030.8 Ų30.84%0.03917%0.173CC..EExtended strand (participates in β ladder)trans-91.6118.8176.8-173.4-95.8000109.8V66 I412 L423 F433 L434 V445 M446 M497V66-Y414 HydrophobicContact CG1-CE1 4.05Å; V66-Y414 VanDerWaalsContact CG1-OH 3.3Å; V66-Y414 WeakPolarHBondContact CG1-OH 3.43Å; V66-Y414 HydrophobicContact CG2-CE1 4.49Å; I412-Y414 PolarHBondContact O-N 3.5Å; Y414-L423 HydrophobicContact CD1-CD1 4.3Å; Y414-L423 HydrophobicContact CE1-CD1 4.42Å; Y414-L423 HydrophobicContact CE1-CD2 4.17Å; Y414-F433 HydrophobicContact CD1-CZ 4.19Å; Y414-F433 HydrophobicContact CD2-CE2 4.31Å; Y414-F433 HydrophobicContact CD2-CZ 4.33Å; Y414-F433 HydrophobicContact CE1-CE2 4.49Å; Y414-F433 AromaticContact CE1-CZ 3.67Å; Y414-F433 HydrophobicContact CE1-CZ 3.67Å; Y414-F433 AromaticContact CE2-CE2 3.82Å; Y414-F433 HydrophobicContact CE2-CE2 3.82Å; Y414-F433 AromaticContact CE2-CZ 3.82Å; Y414-F433 HydrophobicContact CE2-CZ 3.82Å; Y414-F433 HydrophobicContact CG-CZ 4.49Å; Y414-F433 AromaticContact CZ-CE2 3.92Å; Y414-F433 AromaticContact CZ-CZ 3.45Å; Y414-F433 VanDerWaalsContact CZ-CZ 3.45Å; Y414-L434 HydrophobicContact CG-CD2 4.45Å; Y414-V445 PolarHBondContact N-O 3.33Å; Y414-M446 HydrophobicContact CD1-CE 4.36Å; Y414-M446 HydrophobicContact CD1-CG 4.38Å; Y414-M446 HydrophobicContact CD1-SD 4.45Å; Y414-M497 WeakPolarHBondContact CA-O 3.4Å; Y414-M497 HydrophobicContact CD2-CE 3.69Å; Y414-M497 HydrophobicContact CD2-CG 4.45Å; Y414-M497 HydrophobicContact CE2-CE 4.16Å
415I95.1Very high91.8Very high3 Ų324 Ų242%0.01514%0.143CC..EExtended strand (participates in β ladder)trans-127.5141.4-169.4-166.5175.9000112.4Q475 L496 M497 G498 G502 L505I415-Q475 VanDerWaalsContact CD1-CD 3.48Å; I415-Q475 HydrophobicContact CD1-CG 3.4Å; I415-Q475 VanDerWaalsContact CD1-CG 3.4Å; I415-Q475 HydrophobicContact CG1-CG 4.36Å; I415-L496 HydrophobicContact CB-CD1 4.34Å; I415-L496 HydrophobicContact CG2-CD1 3.85Å; I415-L496 HydrophobicContact CG2-CG 4.43Å; I415-M497 PolarHBondContact N-O 3.27Å; I415-G498 VanDerWaalsContact O-CA 3.28Å; I415-G498 WeakPolarHBondContact O-CA 3.39Å; I415-G502 WeakPolarHBondContact O-CA 3.44Å; I415-L505 HydrophobicContact CD1-CB 3.8Å; I415-L505 HydrophobicContact CD1-CD1 3.41Å; I415-L505 VanDerWaalsContact CD1-CD1 3.41Å; I415-L505 HydrophobicContact CD1-CG 4.26Å; I415-L505 HydrophobicContact CG1-CD1 3.99Å; I415-L505 HydrophobicContact CG2-CB 4.44Å
416Y93.2Very high91.7Very high13 Ų1317.1 Ų17.15%0.05111%0.112CC..  trans-113.8-60.4156.6-174-96.4000109.3Y70 G418 F421 Y501 G502 L505Y70-Y416 WeakPolarHBondContact CE2-OH 3.36Å; Y70-Y416 PolarHBondContact OH-OH 2.66Å; Y416-G418 PolarHBondContact O-N 2.85Å; Y416-F421 HydrophobicContact CD1-CB 3.34Å; Y416-F421 AromaticContact CD1-CD1 3.56Å; Y416-F421 HydrophobicContact CD1-CD1 3.56Å; Y416-F421 HydrophobicContact CD1-CD2 4.37Å; Y416-F421 HydrophobicContact CD1-CE1 4.41Å; Y416-F421 AromaticContact CD1-CG 3.52Å; Y416-F421 HydrophobicContact CD1-CG 3.52Å; Y416-F421 HydrophobicContact CE1-CB 3.3Å; Y416-F421 HydrophobicContact CE1-CD1 4.19Å; Y416-F421 HydrophobicContact CE1-CD2 4.19Å; Y416-F421 AromaticContact CE1-CG 3.68Å; Y416-F421 HydrophobicContact CE1-CG 3.68Å; Y416-F421 HydrophobicContact CG-CB 4.36Å; Y416-F421 AromaticContact CG-CD1 3.76Å; Y416-F421 HydrophobicContact CG-CD1 3.76Å; Y416-F421 HydrophobicContact CG-CE1 4.19Å; Y416-F421 HydrophobicContact CG-CG 4.09Å; Y416-Y501 CarbonylContact O-C 3.52Å; Y416-Y501 WeakPolarHBondContact O-CD1 3.16Å; Y416-G502 WeakPolarHBondContact O-CA 3.35Å; Y416-G502 PolarHBondContact O-N 3.41Å; Y416-L505 WeakPolarHBondContact O-CD1 3.46Å
417G88.8Confident91.2Very high3 Ų313.9 Ų13.93%0.0318%0.078CC..  trans67.7-9.6169.800000116.3
418G86.1Confident90.2Very high0 Ų010.3 Ų10.30%06%0.061CC..  trans-76159.8178.900000113.9Y416 Y501Y416-G418 PolarHBondContact O-N 2.85Å; G418-Y501 VanDerWaalsContact CA-CE1 3.48Å; G418-Y501 VanDerWaalsContact CA-CG 3.43Å; G418-Y501 VanDerWaalsContact N-CD1 3.31Å
419P86.4Confident88.6Confident1 Ų19.7 Ų9.71%0.0066%0.058CC..THydrogen-bonded Turntrans-66.1152.9176.531.1-36.5000111.9F421 G451 I463 Y536 Y540P419-F421 VanDerWaalsContact C-N 3.31Å; P419-G451 VanDerWaalsContact CA-O 3.31Å; P419-G451 WeakPolarHBondContact CA-O 3.45Å; P419-I463 HydrophobicContact CB-CD1 3.98Å; P419-I463 HydrophobicContact CG-CD1 3.89Å; P419-Y536 VanDerWaalsContact CD-OH 3.29Å; P419-Y536 WeakPolarHBondContact CD-OH 3.41Å; P419-Y536 HydrophobicContact CG-CE2 4.37Å; P419-Y536 VanDerWaalsContact CG-OH 3.32Å; P419-Y536 WeakPolarHBondContact CG-OH 3.14Å; P419-Y540 HydrophobicContact CB-CD1 4.26Å; P419-Y540 HydrophobicContact CB-CE1 3.48Å; P419-Y540 VanDerWaalsContact CB-CE1 3.48Å; P419-Y540 HydrophobicContact CB-CE2 3.99Å; P419-Y540 WeakPolarHBondContact CB-OH 3.12Å; P419-Y540 HydrophobicContact CG-CD1 4.11Å; P419-Y540 HydrophobicContact CG-CD2 3.89Å; P419-Y540 HydrophobicContact CG-CE1 3.71Å; P419-Y540 HydrophobicContact CG-CE2 3.47Å; P419-Y540 VanDerWaalsContact CG-CE2 3.47Å; P419-Y540 HydrophobicContact CG-CG 4.22Å
420G77.6Confident87Confident27 Ų2710.1 Ų10.128%0.2786%0.059SC..THydrogen-bonded Turntrans80.17.1-177.800000114.9
421F83.5Confident85.5Confident7 Ų79.3 Ų9.33%0.0315%0.054CC..  trans-137.6150.4-176.6-154.6-94000112.9V66 V69 Y416 P419 L423 S452 L453V66-F421 HydrophobicContact CG1-CE1 4.39Å; V66-F421 HydrophobicContact CG1-CZ 4.14Å; V69-F421 HydrophobicContact CB-CD2 4.2Å; V69-F421 HydrophobicContact CB-CE2 3.97Å; V69-F421 HydrophobicContact CG1-CD2 4.37Å; V69-F421 HydrophobicContact CG2-CD2 4.06Å; V69-F421 HydrophobicContact CG2-CE2 3.56Å; Y416-F421 HydrophobicContact CD1-CB 3.34Å; Y416-F421 AromaticContact CD1-CD1 3.56Å; Y416-F421 HydrophobicContact CD1-CD1 3.56Å; Y416-F421 HydrophobicContact CD1-CD2 4.37Å; Y416-F421 HydrophobicContact CD1-CE1 4.41Å; Y416-F421 AromaticContact CD1-CG 3.52Å; Y416-F421 HydrophobicContact CD1-CG 3.52Å; Y416-F421 HydrophobicContact CE1-CB 3.3Å; Y416-F421 HydrophobicContact CE1-CD1 4.19Å; Y416-F421 HydrophobicContact CE1-CD2 4.19Å; Y416-F421 AromaticContact CE1-CG 3.68Å; Y416-F421 HydrophobicContact CE1-CG 3.68Å; Y416-F421 HydrophobicContact CG-CB 4.36Å; Y416-F421 AromaticContact CG-CD1 3.76Å; Y416-F421 HydrophobicContact CG-CD1 3.76Å; Y416-F421 HydrophobicContact CG-CE1 4.19Å; Y416-F421 HydrophobicContact CG-CG 4.09Å; P419-F421 VanDerWaalsContact C-N 3.31Å; F421-L423 HydrophobicContact CD1-CD2 4.39Å; F421-L423 HydrophobicContact CD1-CG 4.07Å; F421-L423 HydrophobicContact CE1-CD2 3.61Å; F421-L423 HydrophobicContact CE1-CG 3.79Å; F421-S452 WeakPolarHBondContact O-CA 3.42Å; F421-S452 WeakPolarHBondContact O-CB 3.43Å; F421-L453 PolarHBondContact O-N 3.37Å
422Q88.3Confident84Confident16 Ų1611.1 Ų11.18%0.0756%0.063CC..  trans-137.3120.7175.3-173.5-171.911.600109.1P244 V424 D448 L453 N454P244-Q422 PolarHBondContact O-NE2 3.5Å; Q422-V424 PolarHBondContact NE2-O 3.19Å; Q422-V424 VanDerWaalsContact NE2-O 3.09Å; Q422-D448 WeakPolarHBondContact CG-OD2 3.5Å; Q422-L453 HydrophobicContact CB-CB 4.32Å; Q422-N454 PolarHBondContact OE1-ND2 3.22Å
423L88.3Confident82.8Confident1 Ų111.8 Ų11.81%0.0057%0.066CC..  trans-92.6-40.4179.9-87.7176.2000112.4V66 Y414 F421 R425 H431 M446 D448V66-L423 HydrophobicContact CG1-CD2 4.06Å; Y414-L423 HydrophobicContact CD1-CD1 4.3Å; Y414-L423 HydrophobicContact CE1-CD1 4.42Å; Y414-L423 HydrophobicContact CE1-CD2 4.17Å; F421-L423 HydrophobicContact CD1-CD2 4.39Å; F421-L423 HydrophobicContact CD1-CG 4.07Å; F421-L423 HydrophobicContact CE1-CD2 3.61Å; F421-L423 HydrophobicContact CE1-CG 3.79Å; L423-R425 PolarHBondContact O-N 3.14Å; L423-H431 PolarHBondContact O-CE1 2.57Å; L423-H431 VanDerWaalsContact O-CE1 3.3Å; L423-M446 HydrophobicContact CB-CE 3.57Å; L423-M446 HydrophobicContact CD1-CE 4.13Å; L423-M446 HydrophobicContact CD2-CE 3.67Å; L423-M446 HydrophobicContact CG-CE 3.99Å; L423-D448 PolarHBondContact N-OD1 3.33Å; L423-D448 PolarHBondContact N-OD2 3.26Å
424V92.1Very high82Confident0 Ų011.7 Ų11.70%07%0.065CC..  trans-89.691.1-174.2-176.30000108.8L245 Y396 Q422 M446 D448L245-V424 HydrophobicContact CD2-CG1 4.11Å; L245-V424 VanDerWaalsContact CD2-O 3.32Å; L245-V424 WeakPolarHBondContact CD2-O 3.34Å; Y396-V424 HydrophobicContact CD1-CG1 3.54Å; Y396-V424 HydrophobicContact CD2-CG1 3.95Å; Y396-V424 HydrophobicContact CE1-CG1 3.47Å; Y396-V424 VanDerWaalsContact CE1-CG1 3.47Å; Y396-V424 HydrophobicContact CE2-CG1 3.9Å; Y396-V424 HydrophobicContact CG-CG1 3.78Å; Q422-V424 PolarHBondContact NE2-O 3.19Å; Q422-V424 VanDerWaalsContact NE2-O 3.09Å; V424-M446 HydrophobicContact CG2-CB 4.1Å; V424-M446 WeakPolarHBondContact CG2-O 3.35Å; V424-D448 WeakPolarHBondContact CA-OD2 3.41Å; V424-D448 HydrophobicContact CB-CB 4.4Å; V424-D448 VanDerWaalsContact CB-OD2 3.28Å; V424-D448 WeakPolarHBondContact CB-OD2 3.3Å; V424-D448 HydrophobicContact CG2-CB 4.38Å; V424-D448 PolarHBondContact N-OD2 3.32Å
425R88.4Confident81.1Confident15 Ų1511.4 Ų11.46%0.0577%0.065CC..SBendtrans-144.3153.1178.169.7179.7-141.7122.84111.1G272 Y396 L423 S427G272-R425 PolarHBondContact O-NH1 2.74Å; Y396-R425 PolarHBondContact OH-O 2.88Å; L423-R425 PolarHBondContact O-N 3.14Å; R425-S427 VanDerWaalsContact C-N 3.27Å; R425-S427 WeakPolarHBondContact CG-OG 3.5Å; R425-S427 VanDerWaalsContact CZ-OG 3.27Å; R425-S427 VanDerWaalsContact NE-CB 3.31Å; R425-S427 PolarHBondContact NE-OG 3.14Å; R425-S427 PolarHBondContact NH2-OG 2.98Å; R425-S427 PolarHBondContact O-N 2.9Å
426N89.2Confident80.5Confident23 Ų2313.8 Ų13.812%0.1238%0.076CC..SBendtrans-78.474.6-179.4-170.520.9000111.1L245 E246 G268 S270 N295 V296 Y396L245-N426 PolarHBondContact O-N 3.28Å; E246-N426 HydrophobicContact CG-CB 3.92Å; E246-N426 PolarHBondContact OE1-ND2 3.36Å; G268-N426 PolarHBondContact O-ND2 3.34Å; G268-N426 VanDerWaalsContact O-ND2 3.1Å; S270-N426 WeakPolarHBondContact CB-O 3.41Å; S270-N426 PolarHBondContact OG-O 2.88Å; N295-N426 VanDerWaalsContact CB-OD1 3.32Å; N295-N426 WeakPolarHBondContact CB-OD1 3.17Å; V296-N426 PolarHBondContact N-OD1 2.89Å; V296-N426 VanDerWaalsContact N-OD1 3.11Å; Y396-N426 PolarHBondContact OH-N 3Å
427S80.8Confident80.4Confident0 Ų013.2 Ų13.20%07%0.074CC..  trans-149159.6-176.678.50000112.9N295 R425 H431N295-S427 VanDerWaalsContact C-C 3.49Å; N295-S427 CarbonylContact O-C 3.46Å; R425-S427 VanDerWaalsContact C-N 3.27Å; R425-S427 WeakPolarHBondContact CG-OG 3.5Å; R425-S427 VanDerWaalsContact CZ-OG 3.27Å; R425-S427 VanDerWaalsContact NE-CB 3.31Å; R425-S427 PolarHBondContact NE-OG 3.14Å; R425-S427 PolarHBondContact NH2-OG 2.98Å; R425-S427 PolarHBondContact O-N 2.9Å; S427-H431 PolarHBondContact O-CD2 2.86Å
428W74.1Confident80.4Confident10 Ų1013.2 Ų13.24%0.0387%0.073CC..SBendtrans-78.3-55.7-174.6-177.6-106.4000115.7S294 N295 C298 P299 I377 R430 H431 I432S294-W428 PolarHBondContact OG-N 2.72Å; N295-W428 WeakPolarHBondContact O-CA 3.45Å; N295-W428 PolarHBondContact O-N 3.23Å; C298-W428 WeakPolarHBondContact O-CB 3.46Å; P299-W428 HydrophobicContact CB-CD2 4.28Å; P299-W428 HydrophobicContact CB-CG 4.4Å; P299-W428 HydrophobicContact CB-CZ2 4.48Å; P299-W428 HydrophobicContact CG-CD2 4.14Å; P299-W428 HydrophobicContact CG-CE3 4.42Å; P299-W428 HydrophobicContact CG-CH2 4.02Å; P299-W428 HydrophobicContact CG-CZ2 3.73Å; P299-W428 HydrophobicContact CG-CZ3 4.36Å; I377-W428 HydrophobicContact CB-CH2 3.74Å; I377-W428 HydrophobicContact CB-CZ3 4.37Å; I377-W428 HydrophobicContact CD1-CH2 3.8Å; I377-W428 HydrophobicContact CG1-CH2 3.58Å; I377-W428 HydrophobicContact CG1-CZ2 4.32Å; I377-W428 HydrophobicContact CG2-CH2 3.4Å; I377-W428 VanDerWaalsContact CG2-CH2 3.4Å; I377-W428 HydrophobicContact CG2-CZ3 3.53Å; W428-R430 PolarHBondContact O-N 2.73Å; W428-H431 PolarHBondContact O-N 2.94Å; W428-I432 HydrophobicContact CH2-CD1 4.24Å; W428-I432 HydrophobicContact CZ2-CD1 3.51Å
429T62.3Low80.4Confident53 Ų5317.5 Ų17.533%0.32510%0.096SC..THydrogen-bonded Turntrans-61.4-21-16050.80000114.3
430R64.1Low80.5Confident13 Ų1322.1 Ų22.15%0.04912%0.12CC..THydrogen-bonded Turntrans-85.7-9.4-174.9-61.9-167.7-180-77.30.4114.6G65 W428 F433G65-R430 PolarHBondContact O-NH1 3.25Å; W428-R430 PolarHBondContact O-N 2.73Å; R430-F433 VanDerWaalsContact O-CE1 3.3Å; R430-F433 WeakPolarHBondContact O-CE1 3.47Å
431H67.9Low81.2Confident0 Ų022.1 Ų22.10%012%0.121CC..THydrogen-bonded Turntrans-124.6-8.9-169.7-54.1-58.6000114.6P378 Y396 Y398 L423 S427 W428 F433 L434 M446P378-H431 HydrophobicContact CG-CB 4.18Å; Y396-H431 AromaticContact CE2-NE2 3.77Å; Y398-H431 AromaticContact CZ-CG 3.92Å; Y398-H431 WeakPolarHBondContact OH-CB 3.02Å; Y398-H431 PolarHBondContact OH-CD2 2.87Å; Y398-H431 PolarHBondContact OH-ND1 2.86Å; L423-H431 PolarHBondContact O-CE1 2.57Å; L423-H431 VanDerWaalsContact O-CE1 3.3Å; S427-H431 PolarHBondContact O-CD2 2.86Å; W428-H431 PolarHBondContact O-N 2.94Å; H431-F433 VanDerWaalsContact C-N 3.33Å; H431-F433 PolarHBondContact O-N 3.26Å; H431-L434 HydrophobicContact CB-CD1 4.02Å; H431-L434 WeakPolarHBondContact O-CB 3.28Å; H431-L434 WeakPolarHBondContact O-CG 3.24Å; H431-L434 PolarHBondContact O-N 3.22Å; H431-M446 VanDerWaalsContact CE1-CE 3.46Å; H431-M446 WeakPolarHBondContact CE1-CE 3.44Å
432I67Low81.7Confident37 Ų3722.5 Ų22.519%0.1912%0.122CC..G310 helixtrans-58.9-40.7-174.9-171.573.3000113.3S376 W428 L434 T435S376-I432 WeakPolarHBondContact O-CD1 3.45Å; W428-I432 HydrophobicContact CH2-CD1 4.24Å; W428-I432 HydrophobicContact CZ2-CD1 3.51Å; I432-L434 PolarHBondContact O-N 3.29Å; I432-T435 WeakPolarHBondContact O-CB 3.38Å; I432-T435 PolarHBondContact O-N 2.96Å; I432-T435 PolarHBondContact O-OG1 2.87Å; I432-T435 VanDerWaalsContact O-OG1 3.11Å
433F72.2Confident82.1Confident14 Ų1421.8 Ų21.86%0.06112%0.119CC..G310 helixtrans-67.9-20.1-179.576.2-82000112.5V66 Y414 R430 H431 T435 M436 Y437 F622V66-F433 HydrophobicContact CG2-CD1 4.12Å; V66-F433 HydrophobicContact CG2-CE1 3.32Å; V66-F433 HydrophobicContact CG2-CZ 3.9Å; Y414-F433 HydrophobicContact CD1-CZ 4.19Å; Y414-F433 HydrophobicContact CD2-CE2 4.31Å; Y414-F433 HydrophobicContact CD2-CZ 4.33Å; Y414-F433 HydrophobicContact CE1-CE2 4.49Å; Y414-F433 AromaticContact CE1-CZ 3.67Å; Y414-F433 HydrophobicContact CE1-CZ 3.67Å; Y414-F433 AromaticContact CE2-CE2 3.82Å; Y414-F433 HydrophobicContact CE2-CE2 3.82Å; Y414-F433 AromaticContact CE2-CZ 3.82Å; Y414-F433 HydrophobicContact CE2-CZ 3.82Å; Y414-F433 HydrophobicContact CG-CZ 4.49Å; Y414-F433 AromaticContact CZ-CE2 3.92Å; Y414-F433 AromaticContact CZ-CZ 3.45Å; Y414-F433 VanDerWaalsContact CZ-CZ 3.45Å; R430-F433 VanDerWaalsContact O-CE1 3.3Å; R430-F433 WeakPolarHBondContact O-CE1 3.47Å; H431-F433 VanDerWaalsContact C-N 3.33Å; H431-F433 PolarHBondContact O-N 3.26Å; F433-T435 PolarHBondContact O-N 2.71Å; F433-M436 WeakPolarHBondContact O-CB 3.15Å; F433-M436 PolarHBondContact O-N 2.64Å; F433-Y437 HydrophobicContact CD2-CE2 4.25Å; F433-Y437 HydrophobicContact CE2-CE2 4.23Å; F433-F622 HydrophobicContact CD2-CE1 4.5Å
434L80.2Confident82.4Confident0 Ų021.7 Ų21.70%012%0.118CC..G310 helixtrans-66.7-25.1178.7-58176.6000111.9Y398 Y414 H431 I432 M436 Y437 L438 V444 M446Y398-L434 HydrophobicContact CD2-CD1 4.14Å; Y398-L434 HydrophobicContact CE2-CD1 3.96Å; Y414-L434 HydrophobicContact CG-CD2 4.45Å; H431-L434 HydrophobicContact CB-CD1 4.02Å; H431-L434 WeakPolarHBondContact O-CB 3.28Å; H431-L434 WeakPolarHBondContact O-CG 3.24Å; H431-L434 PolarHBondContact O-N 3.22Å; I432-L434 PolarHBondContact O-N 3.29Å; L434-M436 PolarHBondContact O-N 2.75Å; L434-M436 VanDerWaalsContact O-N 3.15Å; L434-Y437 HydrophobicContact CD2-CD2 4.24Å; L434-Y437 HydrophobicContact CD2-CE2 4.42Å; L434-Y437 WeakPolarHBondContact O-CB 3.46Å; L434-Y437 PolarHBondContact O-N 3.46Å; L434-L438 PolarHBondContact O-N 3.3Å; L434-L438 VanDerWaalsContact O-N 3.12Å; L434-V444 HydrophobicContact CD1-CG1 4.21Å; L434-V444 HydrophobicContact CD2-CG1 4Å; L434-M446 HydrophobicContact CD1-SD 3.47Å; L434-M446 WeakPolarHBondContact CD1-SD 3.12Å
435T78.3Confident82.7Confident4 Ų421.8 Ų21.83%0.02512%0.119CC..Hα-helixtrans-60.9-27.1-178.9-47.30000112.5H375 S376 P378 I432 F433 Y437 L438 N439H375-T435 WeakPolarHBondContact O-CG2 3.49Å; S376-T435 VanDerWaalsContact CA-CG2 3.49Å; S376-T435 VanDerWaalsContact O-CB 3.32Å; S376-T435 WeakPolarHBondContact O-CB 3.24Å; S376-T435 WeakPolarHBondContact O-CG2 3.22Å; S376-T435 PolarHBondContact O-OG1 3.28Å; P378-T435 WeakPolarHBondContact CD-OG1 3.48Å; I432-T435 WeakPolarHBondContact O-CB 3.38Å; I432-T435 PolarHBondContact O-N 2.96Å; I432-T435 PolarHBondContact O-OG1 2.87Å; I432-T435 VanDerWaalsContact O-OG1 3.11Å; F433-T435 PolarHBondContact O-N 2.71Å; T435-Y437 VanDerWaalsContact C-N 3.33Å; T435-Y437 PolarHBondContact O-N 2.86Å; T435-L438 PolarHBondContact O-N 3.38Å; T435-N439 WeakPolarHBondContact O-CB 3.37Å; T435-N439 VanDerWaalsContact O-CG 3.24Å; T435-N439 PolarHBondContact O-N 2.94Å; T435-N439 PolarHBondContact O-ND2 3.09Å
436M82.8Confident83Confident52 Ų5221 Ų2126%0.25612%0.116SC..Hα-helixtrans-56.4-45.8170.3-175.5-174.567.400111.9F433 L434 L440 F622 L626F433-M436 WeakPolarHBondContact O-CB 3.15Å; F433-M436 PolarHBondContact O-N 2.64Å; L434-M436 PolarHBondContact O-N 2.75Å; L434-M436 VanDerWaalsContact O-N 3.15Å; M436-L440 WeakPolarHBondContact O-CG 3.36Å; M436-L440 PolarHBondContact O-N 3.48Å; M436-F622 HydrophobicContact CE-CB 4.25Å; M436-F622 HydrophobicContact CE-CD1 3.58Å; M436-F622 HydrophobicContact CE-CE1 4.27Å; M436-F622 HydrophobicContact CE-CG 4.2Å; M436-F622 HydrophobicContact SD-CB 4.07Å; M436-F622 HydrophobicContact SD-CD1 4.25Å; M436-F622 HydrophobicContact SD-CG 4.29Å; M436-L626 HydrophobicContact CE-CD1 4.19Å; M436-L626 HydrophobicContact CE-CD2 3.75Å; M436-L626 HydrophobicContact CE-CG 3.96Å; M436-L626 HydrophobicContact CG-CD1 4.04Å; M436-L626 HydrophobicContact CG-CD2 4.37Å; M436-L626 HydrophobicContact SD-CD1 3.64Å; M436-L626 HydrophobicContact SD-CD2 4.26Å; M436-L626 HydrophobicContact SD-CG 4.09Å
437Y89.2Confident83.4Confident2 Ų220 Ų201%0.00811%0.11CC..Hα-helixtrans-71-39.3177.9-56-61.2000112I412 F433 L434 T435 N439 L440 G441 Y442 V444 M497 I625 L626 L629I412-Y437 HydrophobicContact CD1-CD1 3.4Å; I412-Y437 HydrophobicContact CD1-CD2 4.14Å; I412-Y437 HydrophobicContact CD1-CE1 3.98Å; I412-Y437 HydrophobicContact CD1-CG 3.51Å; F433-Y437 HydrophobicContact CD2-CE2 4.25Å; F433-Y437 HydrophobicContact CE2-CE2 4.23Å; L434-Y437 HydrophobicContact CD2-CD2 4.24Å; L434-Y437 HydrophobicContact CD2-CE2 4.42Å; L434-Y437 WeakPolarHBondContact O-CB 3.46Å; L434-Y437 PolarHBondContact O-N 3.46Å; T435-Y437 VanDerWaalsContact C-N 3.33Å; T435-Y437 PolarHBondContact O-N 2.86Å; Y437-N439 VanDerWaalsContact C-N 3.33Å; Y437-N439 PolarHBondContact O-N 3.36Å; Y437-L440 CarbonylContact O-C 3.5Å; Y437-L440 PolarHBondContact O-N 3.47Å; Y437-L440 VanDerWaalsContact O-N 3.13Å; Y437-G441 PolarHBondContact O-N 3Å; Y437-Y442 WeakPolarHBondContact O-CB 3.47Å; Y437-Y442 WeakPolarHBondContact O-CD2 3.36Å; Y437-Y442 PolarHBondContact O-N 2.9Å; Y437-Y442 VanDerWaalsContact O-N 3.11Å; Y437-V444 HydrophobicContact CD2-CG2 4.49Å; Y437-M497 HydrophobicContact CE1-CE 4.19Å; Y437-M497 HydrophobicContact CE2-CE 3.63Å; Y437-M497 VanDerWaalsContact CZ-CE 3.43Å; Y437-M497 VanDerWaalsContact OH-CE 3.23Å; Y437-M497 WeakPolarHBondContact OH-CE 3.47Å; Y437-I625 HydrophobicContact CE1-CG2 4.06Å; Y437-L626 HydrophobicContact CD1-CD2 3.88Å; Y437-L626 HydrophobicContact CE1-CD2 3.81Å; Y437-L629 HydrophobicContact CD1-CD1 4.11Å; Y437-L629 HydrophobicContact CE1-CD1 3.87Å
438L89.8Confident84.1Confident3 Ų320.2 Ų20.22%0.01611%0.112CC..Hα-helixtrans-62.7-41.5178.1-57.1-179000111.5P378 P379 Y398 P400 L434 T435 L440 G441 Y442 V444P378-L438 HydrophobicContact CB-CD1 4.14Å; P379-L438 HydrophobicContact CG-CD1 4.3Å; Y398-L438 HydrophobicContact CD1-CD1 4.23Å; Y398-L438 HydrophobicContact CG-CD1 4.39Å; P400-L438 WeakPolarHBondContact CB-O 3.45Å; P400-L438 WeakPolarHBondContact CG-O 3.36Å; L434-L438 PolarHBondContact O-N 3.3Å; L434-L438 VanDerWaalsContact O-N 3.12Å; T435-L438 PolarHBondContact O-N 3.38Å; L438-L440 PolarHBondContact O-N 2.91Å; L438-G441 PolarHBondContact O-N 2.87Å; L438-Y442 WeakPolarHBondContact CD2-O 3.33Å; L438-V444 HydrophobicContact CD2-CB 4.46Å; L438-V444 HydrophobicContact CD2-CG2 3.94Å
439N85.5Confident85.1Confident89 Ų8919.9 Ų19.948%0.47611%0.111SC..Hα-helixtrans-66.9-19.2177.1-72.7-18.4000113.3H375 T435 Y437H375-N439 PolarHBondContact O-ND2 2.76Å; H375-N439 PolarHBondContact O-OD1 2.84Å; T435-N439 WeakPolarHBondContact O-CB 3.37Å; T435-N439 VanDerWaalsContact O-CG 3.24Å; T435-N439 PolarHBondContact O-N 2.94Å; T435-N439 PolarHBondContact O-ND2 3.09Å; Y437-N439 VanDerWaalsContact C-N 3.33Å; Y437-N439 PolarHBondContact O-N 3.36Å
440L88.7Confident86.7Confident98 Ų9818 Ų1851%0.51310%0.098SC..THydrogen-bonded Turntrans-94.99.5174-65.8171.2000112.8M436 Y437 L438 Y442 L626M436-L440 WeakPolarHBondContact O-CG 3.36Å; M436-L440 PolarHBondContact O-N 3.48Å; Y437-L440 CarbonylContact O-C 3.5Å; Y437-L440 PolarHBondContact O-N 3.47Å; Y437-L440 VanDerWaalsContact O-N 3.13Å; L438-L440 PolarHBondContact O-N 2.91Å; L440-Y442 HydrophobicContact CB-CD2 3.91Å; L440-Y442 HydrophobicContact CB-CE2 3.91Å; L440-L626 HydrophobicContact CD1-CD1 3.79Å; L440-L626 HydrophobicContact CD1-CD2 3.32Å; L440-L626 HydrophobicContact CD1-CG 4.08Å
441G91.9Very high88Confident28 Ų2817.4 Ų17.429%0.28910%0.096SC..THydrogen-bonded Turntrans86.110.2173.300000115.3Y437 L438Y437-G441 PolarHBondContact O-N 3Å; L438-G441 PolarHBondContact O-N 2.87Å
442Y94.8Very high89.2Confident15 Ų1517.5 Ų17.56%0.05910%0.096CC..  trans-83144.7174.3-62.5-83.5000111.4P410 I412 Y437 L438 L440 L633P410-Y442 HydrophobicContact CB-CD1 3.79Å; P410-Y442 HydrophobicContact CB-CE1 3.9Å; P410-Y442 HydrophobicContact CG-CD1 3.7Å; P410-Y442 HydrophobicContact CG-CE1 3.89Å; P410-Y442 WeakPolarHBondContact O-CA 3.36Å; I412-Y442 HydrophobicContact CD1-CD1 4.31Å; I412-Y442 HydrophobicContact CD1-CD2 4.47Å; I412-Y442 HydrophobicContact CD1-CG 4.04Å; I412-Y442 HydrophobicContact CG1-CD1 4.2Å; I412-Y442 HydrophobicContact CG1-CG 4.32Å; Y437-Y442 WeakPolarHBondContact O-CB 3.47Å; Y437-Y442 WeakPolarHBondContact O-CD2 3.36Å; Y437-Y442 PolarHBondContact O-N 2.9Å; Y437-Y442 VanDerWaalsContact O-N 3.11Å; L438-Y442 WeakPolarHBondContact CD2-O 3.33Å; L440-Y442 HydrophobicContact CB-CD2 3.91Å; L440-Y442 HydrophobicContact CB-CE2 3.91Å; Y442-L633 HydrophobicContact CD1-CD2 4.28Å; Y442-L633 HydrophobicContact CE1-CD2 3.9Å
443A96.6Very high90Very high0 Ų016.3 Ų16.30%09%0.09CC..EExtended strand (participates in β ladder)trans-81.1149.3157.400000109.5L397 Y398 L409 P410 T411 I412L397-A443 HydrophobicContact CD1-CB 4.14Å; Y398-A443 WeakPolarHBondContact O-CA 3.5Å; L409-A443 HydrophobicContact CB-CB 4.01Å; L409-A443 HydrophobicContact CD1-CB 3.98Å; P410-A443 PolarHBondContact O-N 3.26Å; T411-A443 CarbonylContact C-O 3.58Å; T411-A443 WeakPolarHBondContact CA-O 3.33Å; T411-A443 HydrophobicContact CG2-CB 4.31Å; I412-A443 PolarHBondContact N-O 3.04Å
444V95.8Very high90.6Very high0 Ų016.3 Ų16.30%09%0.091CC..EExtended strand (participates in β ladder)trans-121.7126.5172.5-176.80000109.8L397 Y398 I412 L434 Y437 L438 M446L397-V444 WeakPolarHBondContact CA-O 3.08Å; Y398-V444 PolarHBondContact N-O 3.42Å; Y398-V444 PolarHBondContact O-N 3.45Å; Y398-V444 VanDerWaalsContact O-N 3.11Å; I412-V444 HydrophobicContact CB-CG2 4.45Å; I412-V444 CarbonylContact O-C 3.52Å; I412-V444 WeakPolarHBondContact O-CA 3.36Å; L434-V444 HydrophobicContact CD1-CG1 4.21Å; L434-V444 HydrophobicContact CD2-CG1 4Å; Y437-V444 HydrophobicContact CD2-CG2 4.49Å; L438-V444 HydrophobicContact CD2-CB 4.46Å; L438-V444 HydrophobicContact CD2-CG2 3.94Å; V444-M446 HydrophobicContact CG1-CG 4.3Å
445V96.9Very high90.9Very high1 Ų118.4 Ų18.41%0.00610%0.099CC..EExtended strand (participates in β ladder)trans-107.1133.6172.2171.40000108.9Y396 L397 T411 I412 V413 Y414 I482 I489Y396-V445 WeakPolarHBondContact O-CA 3.25Å; L397-V445 HydrophobicContact CD1-CG2 3.91Å; T411-V445 HydrophobicContact CG2-CB 4.38Å; T411-V445 HydrophobicContact CG2-CG2 3.77Å; I412-V445 PolarHBondContact O-N 2.92Å; V413-V445 CarbonylContact C-O 3.54Å; V413-V445 WeakPolarHBondContact CA-O 3.49Å; V413-V445 HydrophobicContact CG2-CB 4.29Å; Y414-V445 PolarHBondContact N-O 3.33Å; V445-I482 HydrophobicContact CG1-CD1 3.54Å; V445-I482 HydrophobicContact CG2-CD1 4.27Å; V445-I482 HydrophobicContact CG2-CG2 4.44Å; V445-I489 HydrophobicContact CG2-CD1 3.88Å
446M95.4Very high91.1Very high0 Ų018.5 Ų18.50%010%0.1CC..EExtended strand (participates in β ladder)trans-130.7132.6170.5-66.1172.460.200108.4S395 Y396 Y398 Y414 L423 V424 H431 L434 V444S395-M446 CarbonylContact C-O 3.49Å; S395-M446 WeakPolarHBondContact CA-O 3.08Å; Y396-M446 PolarHBondContact N-O 3.26Å; Y396-M446 PolarHBondContact O-N 3.14Å; Y398-M446 HydrophobicContact CE2-SD 4.27Å; Y414-M446 HydrophobicContact CD1-CE 4.36Å; Y414-M446 HydrophobicContact CD1-CG 4.38Å; Y414-M446 HydrophobicContact CD1-SD 4.45Å; L423-M446 HydrophobicContact CB-CE 3.57Å; L423-M446 HydrophobicContact CD1-CE 4.13Å; L423-M446 HydrophobicContact CD2-CE 3.67Å; L423-M446 HydrophobicContact CG-CE 3.99Å; V424-M446 HydrophobicContact CG2-CB 4.1Å; V424-M446 WeakPolarHBondContact CG2-O 3.35Å; H431-M446 VanDerWaalsContact CE1-CE 3.46Å; H431-M446 WeakPolarHBondContact CE1-CE 3.44Å; L434-M446 HydrophobicContact CD1-SD 3.47Å; L434-M446 WeakPolarHBondContact CD1-SD 3.12Å; V444-M446 HydrophobicContact CG1-CG 4.3Å
447T96.6Very high91.1Very high1 Ų116.7 Ų16.71%0.00610%0.095CC..EExtended strand (participates in β ladder)trans-135.5128.4179.7-630000109.9L393 S395 G449 Q475 A478L393-T447 HydrophobicContact CB-CG2 4.28Å; L393-T447 HydrophobicContact CD1-CG2 4.29Å; S395-T447 WeakPolarHBondContact CB-OG1 3.41Å; S395-T447 WeakPolarHBondContact OG-CB 3.11Å; S395-T447 WeakPolarHBondContact OG-CG2 3.45Å; S395-T447 PolarHBondContact OG-OG1 2.96Å; T447-G449 PolarHBondContact O-N 3.38Å; T447-Q475 PolarHBondContact O-NE2 2.99Å; T447-A478 HydrophobicContact CG2-CB 3.62Å; T447-A478 WeakPolarHBondContact OG1-CB 3.32Å
448D95.9Very high91Very high5 Ų523.6 Ų23.63%0.02713%0.127CC..EExtended strand (participates in β ladder)trans-86.197.8166.1-79.4-29.4000109.1Y394 Q422 L423 V424Y394-D448 PolarHBondContact O-N 2.65Å; Y394-D448 VanDerWaalsContact O-N 3.12Å; Q422-D448 WeakPolarHBondContact CG-OD2 3.5Å; L423-D448 PolarHBondContact N-OD1 3.33Å; L423-D448 PolarHBondContact N-OD2 3.26Å; V424-D448 WeakPolarHBondContact CA-OD2 3.41Å; V424-D448 HydrophobicContact CB-CB 4.4Å; V424-D448 VanDerWaalsContact CB-OD2 3.28Å; V424-D448 WeakPolarHBondContact CB-OD2 3.3Å; V424-D448 HydrophobicContact CG2-CB 4.38Å; V424-D448 PolarHBondContact N-OD2 3.32Å
449G95.9Very high91Very high2 Ų223.6 Ų23.62%0.02113%0.127CC..  trans-79.5171.8174.300000112.5T447 G451 S452 F459T447-G449 PolarHBondContact O-N 3.38Å; G449-G451 PolarHBondContact O-N 2.76Å; G449-S452 WeakPolarHBondContact O-CB 3.47Å; G449-S452 PolarHBondContact O-N 3.23Å; G449-S452 VanDerWaalsContact O-N 3.16Å; G449-S452 PolarHBondContact O-OG 3.11Å; G449-F459 WeakPolarHBondContact O-CE1 3.04Å; G449-F459 WeakPolarHBondContact O-CZ 3Å
450R95.5Very high91.1Very high15 Ų1519.6 Ų19.66%0.05711%0.106CC..THydrogen-bonded Turntrans-49.9135.7172-73.1172.5-68.8167.40.7110.1F391 L393 F459 A462 I463 V470 E473 D474F391-R450 HydrophobicContact CB-CG 4.2Å; F391-R450 HydrophobicContact CD2-CG 4.01Å; F391-R450 HydrophobicContact CG-CG 4.12Å; L393-R450 HydrophobicContact CD2-CG 4.45Å; R450-F459 HydrophobicContact CG-CD2 4.48Å; R450-F459 HydrophobicContact CG-CE2 4.27Å; R450-F459 HydrophobicContact CG-CZ 4.48Å; R450-A462 HydrophobicContact CB-CB 3.86Å; R450-A462 HydrophobicContact CG-CB 4.22Å; R450-I463 VanDerWaalsContact O-CG2 3.23Å; R450-I463 WeakPolarHBondContact O-CG2 3.41Å; R450-V470 HydrophobicContact CB-CG1 3.87Å; R450-E473 IonicContact NH2-OE2 3.52Å; R450-E473 PolarHBondContact NH2-OE2 2.8Å; R450-D474 VanDerWaalsContact CB-OD2 3.25Å; R450-D474 WeakPolarHBondContact CB-OD2 3.48Å; R450-D474 VanDerWaalsContact CG-OD2 3.26Å; R450-D474 WeakPolarHBondContact CG-OD2 3.45Å; R450-D474 IonicContact CZ-OD1 3.9Å; R450-D474 VanDerWaalsContact CZ-OD1 3.31Å; R450-D474 IonicContact CZ-OD2 3.39Å; R450-D474 PolarHBondContact N-OD2 3.31Å; R450-D474 IonicContact NE-OD1 2.76Å; R450-D474 PolarHBondContact NE-OD1 2.92Å; R450-D474 VanDerWaalsContact NE-OD1 3.1Å; R450-D474 IonicContact NE-OD2 3.28Å; R450-D474 PolarHBondContact NE-OD2 3.14Å; R450-D474 IonicContact NH2-OD1 2.72Å; R450-D474 PolarHBondContact NH2-OD1 3.35Å; R450-D474 IonicContact NH2-OD2 3.79Å
451G92.3Very high91.2Very high0 Ų016.2 Ų16.20%09%0.089CC..THydrogen-bonded Turntrans108.5-31.3-168.800000114P419 G449 F459 E460P419-G451 VanDerWaalsContact CA-O 3.31Å; P419-G451 WeakPolarHBondContact CA-O 3.45Å; G449-G451 PolarHBondContact O-N 2.76Å; G451-F459 PolarHBondContact N-O 2.86Å; G451-E460 WeakPolarHBondContact CA-O 3.17Å
452S91.4Very high91.2Very high1 Ų115.6 Ų15.61%0.0078%0.081CC..  trans-67.4160.1-177.882.70000113.6F421 G449 F459F421-S452 WeakPolarHBondContact O-CA 3.42Å; F421-S452 WeakPolarHBondContact O-CB 3.43Å; G449-S452 WeakPolarHBondContact O-CB 3.47Å; G449-S452 PolarHBondContact O-N 3.23Å; G449-S452 VanDerWaalsContact O-N 3.16Å; G449-S452 PolarHBondContact O-OG 3.11Å; S452-F459 VanDerWaalsContact OG-CE1 3.29Å; S452-F459 WeakPolarHBondContact OG-CE1 3.33Å
453L85.4Confident91.1Very high12 Ų1214.9 Ų14.96%0.0638%0.079CC..SBendtrans-71.5169.1-178.8-162.2113.2000113.2F421 Q422 R455F421-L453 PolarHBondContact O-N 3.37Å; Q422-L453 HydrophobicContact CB-CB 4.32Å; L453-R455 VanDerWaalsContact C-N 3.29Å; L453-R455 PolarHBondContact O-N 3.42Å
454N83.1Confident90.9Very high14 Ų1416 Ų168%0.0759%0.087CC..SBendtrans66.117.2172.4-69.8-27.2000116.4E223 V240 Q422E223-N454 PolarHBondContact OE2-OD1 3.33Å; V240-N454 HydrophobicContact CG1-CB 4.47Å; V240-N454 HydrophobicContact CG2-CB 4.24Å; Q422-N454 PolarHBondContact OE1-ND2 3.22Å
455R87.7Confident90.8Very high45 Ų4516.8 Ų16.817%0.179%0.094CC..SBendtrans-122.66.5-177.5-58-56.4-54.7-70.2-2.8114.7K392 L453 F459K392-R455 PolarHBondContact O-NH1 3.5Å; K392-R455 PolarHBondContact O-NH2 3.2Å; L453-R455 VanDerWaalsContact C-N 3.29Å; L453-R455 PolarHBondContact O-N 3.42Å; R455-F459 HydrophobicContact CB-CB 3.63Å; R455-F459 HydrophobicContact CB-CD1 3.38Å; R455-F459 HydrophobicContact CB-CD2 3.83Å; R455-F459 HydrophobicContact CB-CE1 3.91Å; R455-F459 HydrophobicContact CB-CE2 4.33Å; R455-F459 HydrophobicContact CB-CG 3.33Å; R455-F459 HydrophobicContact CB-CZ 4.37Å; R455-F459 HydrophobicContact CG-CD1 3.87Å; R455-F459 HydrophobicContact CG-CD2 4.38Å; R455-F459 HydrophobicContact CG-CE1 3.85Å; R455-F459 HydrophobicContact CG-CE2 4.38Å; R455-F459 HydrophobicContact CG-CG 4.14Å; R455-F459 HydrophobicContact CG-CZ 4.13Å; R455-F459 WeakPolarHBondContact O-CB 3.48Å
456G82.6Confident90.7Very high6 Ų622.5 Ų22.56%0.06212%0.116CC..  trans89.1159.5-177.400000113.3G182 E458 F459 E460G182-G456 CarbonylContact O-C 3.43Å; G456-E458 PolarHBondContact O-N 3.11Å; G456-F459 WeakPolarHBondContact O-CB 3.4Å; G456-F459 PolarHBondContact O-N 2.83Å; G456-F459 VanDerWaalsContact O-N 3.14Å; G456-E460 PolarHBondContact O-N 2.82Å
457G82Confident90.7Very high14 Ų1422.6 Ų22.614%0.14412%0.116CC..Hα-helixtrans-64.2-32.1-174.100000114G182 F459 E460 T461G182-G457 PolarHBondContact O-N 3.18Å; G457-F459 VanDerWaalsContact C-N 3.34Å; G457-E460 PolarHBondContact O-N 2.88Å; G457-T461 VanDerWaalsContact O-CB 3.26Å; G457-T461 WeakPolarHBondContact O-CB 3.24Å; G457-T461 VanDerWaalsContact O-CG2 3.24Å; G457-T461 WeakPolarHBondContact O-CG2 3.26Å; G457-T461 PolarHBondContact O-N 3.12Å; G457-T461 PolarHBondContact O-OG1 3.21Å
458E86.5Confident90.6Very high146 Ų14622.5 Ų22.568%0.68212%0.116SC*.Hα-helixtrans-65.7-38.6173.3-69.1-169.7166.200112G456 A462G456-E458 PolarHBondContact O-N 3.11Å; E458-A462 PolarHBondContact O-N 3Å
459F90.3Very high90.4Very high3 Ų325.3 Ų25.31%0.01314%0.135CC..Hα-helixtrans-69.8-43.2177-172.1-79.7000111.2F391 L393 G449 R450 G451 S452 R455 G456 G457 A462F391-F459 HydrophobicContact CB-CD2 4.09Å; F391-F459 HydrophobicContact CB-CE2 4.04Å; F391-F459 HydrophobicContact CD1-CB 4.37Å; F391-F459 AromaticContact CD1-CD2 3.61Å; F391-F459 HydrophobicContact CD1-CD2 3.61Å; F391-F459 HydrophobicContact CD1-CE2 4.41Å; F391-F459 HydrophobicContact CD1-CG 4.41Å; F391-F459 HydrophobicContact CE1-CB 4.29Å; F391-F459 HydrophobicContact CE1-CD2 4.34Å; F391-F459 HydrophobicContact CG-CD2 4.08Å; F391-F459 HydrophobicContact CG-CE2 4.5Å; L393-F459 HydrophobicContact CD2-CE2 3.79Å; L393-F459 HydrophobicContact CD2-CZ 3.85Å; G449-F459 WeakPolarHBondContact O-CE1 3.04Å; G449-F459 WeakPolarHBondContact O-CZ 3Å; R450-F459 HydrophobicContact CG-CD2 4.48Å; R450-F459 HydrophobicContact CG-CE2 4.27Å; R450-F459 HydrophobicContact CG-CZ 4.48Å; G451-F459 PolarHBondContact N-O 2.86Å; S452-F459 VanDerWaalsContact OG-CE1 3.29Å; S452-F459 WeakPolarHBondContact OG-CE1 3.33Å; R455-F459 HydrophobicContact CB-CB 3.63Å; R455-F459 HydrophobicContact CB-CD1 3.38Å; R455-F459 HydrophobicContact CB-CD2 3.83Å; R455-F459 HydrophobicContact CB-CE1 3.91Å; R455-F459 HydrophobicContact CB-CE2 4.33Å; R455-F459 HydrophobicContact CB-CG 3.33Å; R455-F459 HydrophobicContact CB-CZ 4.37Å; R455-F459 HydrophobicContact CG-CD1 3.87Å; R455-F459 HydrophobicContact CG-CD2 4.38Å; R455-F459 HydrophobicContact CG-CE1 3.85Å; R455-F459 HydrophobicContact CG-CE2 4.38Å; R455-F459 HydrophobicContact CG-CG 4.14Å; R455-F459 HydrophobicContact CG-CZ 4.13Å; R455-F459 WeakPolarHBondContact O-CB 3.48Å; G456-F459 WeakPolarHBondContact O-CB 3.4Å; G456-F459 PolarHBondContact O-N 2.83Å; G456-F459 VanDerWaalsContact O-N 3.14Å; G457-F459 VanDerWaalsContact C-N 3.34Å; F459-A462 WeakPolarHBondContact O-CB 3.47Å
460E88.3Confident90.4Very high5 Ų525.4 Ų25.42%0.02314%0.135CC..Hα-helixtrans-66.2-47.3178.5-170.7-173.1160.900111.7R179 G451 G456 G457 A462 Y540R179-E460 IonicContact CZ-OE2 3.09Å; R179-E460 IonicContact NH1-OE2 3.3Å; R179-E460 PolarHBondContact NH1-OE2 2.87Å; G451-E460 WeakPolarHBondContact CA-O 3.17Å; G456-E460 PolarHBondContact O-N 2.82Å; G457-E460 PolarHBondContact O-N 2.88Å; E460-A462 PolarHBondContact O-N 2.81Å; E460-Y540 PolarHBondContact OE1-OH 3.32Å
461T89.5Confident90.5Very high28 Ų2824.7 Ų24.717%0.17213%0.133CC..Hα-helixtrans-79.7-2.6-174.5610000113.7I154 G457 I463 S464I154-T461 HydrophobicContact CB-CG2 4.48Å; I154-T461 HydrophobicContact CD1-CG2 3.98Å; I154-T461 HydrophobicContact CG1-CG2 4.29Å; G457-T461 VanDerWaalsContact O-CB 3.26Å; G457-T461 WeakPolarHBondContact O-CB 3.24Å; G457-T461 VanDerWaalsContact O-CG2 3.24Å; G457-T461 WeakPolarHBondContact O-CG2 3.26Å; G457-T461 PolarHBondContact O-N 3.12Å; G457-T461 PolarHBondContact O-OG1 3.21Å; T461-I463 PolarHBondContact O-N 3.07Å; T461-I463 VanDerWaalsContact O-N 3.1Å; T461-S464 WeakPolarHBondContact CA-OG 3.44Å; T461-S464 WeakPolarHBondContact CB-OG 3.29Å; T461-S464 VanDerWaalsContact O-CB 3.29Å; T461-S464 WeakPolarHBondContact O-CB 3.49Å; T461-S464 PolarHBondContact O-N 2.84Å; T461-S464 PolarHBondContact O-OG 2.85Å
462A92.1Very high90.7Very high15 Ų1524.8 Ų24.812%0.12413%0.133CC..THydrogen-bonded Turntrans-56.9-25.4176.300000113.2R450 E458 F459 E460 R466R450-A462 HydrophobicContact CB-CB 3.86Å; R450-A462 HydrophobicContact CG-CB 4.22Å; E458-A462 PolarHBondContact O-N 3Å; F459-A462 WeakPolarHBondContact O-CB 3.47Å; E460-A462 PolarHBondContact O-N 2.81Å; A462-R466 PolarHBondContact O-NH2 2.7Å
463I93.6Very high90.9Very high0 Ų027 Ų270%014%0.144CC..THydrogen-bonded Turntrans-87.2-7.9177.569178.9000113.8P419 R450 T461 G465 R466 L467 V470 E471P419-I463 HydrophobicContact CB-CD1 3.98Å; P419-I463 HydrophobicContact CG-CD1 3.89Å; R450-I463 VanDerWaalsContact O-CG2 3.23Å; R450-I463 WeakPolarHBondContact O-CG2 3.41Å; T461-I463 PolarHBondContact O-N 3.07Å; T461-I463 VanDerWaalsContact O-N 3.1Å; I463-G465 PolarHBondContact O-N 3.46Å; I463-R466 CarbonylContact O-C 3.5Å; I463-R466 VanDerWaalsContact O-C 3.31Å; I463-R466 WeakPolarHBondContact O-CA 3.43Å; I463-R466 PolarHBondContact O-N 3.35Å; I463-L467 HydrophobicContact CB-CD2 4.04Å; I463-L467 HydrophobicContact CD1-CD2 3.54Å; I463-L467 HydrophobicContact CG1-CD2 3.68Å; I463-L467 PolarHBondContact O-N 3.08Å; I463-V470 HydrophobicContact CG2-CB 4.21Å; I463-V470 HydrophobicContact CG2-CG1 4.34Å; I463-E471 HydrophobicContact CG2-CG 3.68Å
464S92Very high91.5Very high24 Ų2426.5 Ų26.517%0.16814%0.141CC..THydrogen-bonded Turntrans-59130.3-172.8-48.10000111T461 R466 Y540T461-S464 WeakPolarHBondContact CA-OG 3.44Å; T461-S464 WeakPolarHBondContact CB-OG 3.29Å; T461-S464 VanDerWaalsContact O-CB 3.29Å; T461-S464 WeakPolarHBondContact O-CB 3.49Å; T461-S464 PolarHBondContact O-N 2.84Å; T461-S464 PolarHBondContact O-OG 2.85Å; S464-R466 PolarHBondContact O-N 2.69Å; S464-Y540 CarbonylContact C-O 3.43Å; S464-Y540 WeakPolarHBondContact CA-O 3.38Å
465G93.4Very high92.2Very high16 Ų1625.9 Ų25.917%0.16514%0.137CC..THydrogen-bonded Turntrans68.29-175.100000114.8I463 Y540 A550I463-G465 PolarHBondContact O-N 3.46Å; G465-Y540 PolarHBondContact N-O 2.72Å; G465-A550 VanDerWaalsContact O-CB 3.23Å; G465-A550 WeakPolarHBondContact O-CB 3.42Å
466R94.3Very high92.6Very high121 Ų12124.5 Ų24.546%0.45713%0.134SC..  trans-14833.1-171.9-59.3-177.3-63.8163.41.3112.7A462 I463 S464 G468 C469 V470A462-R466 PolarHBondContact O-NH2 2.7Å; I463-R466 CarbonylContact O-C 3.5Å; I463-R466 VanDerWaalsContact O-C 3.31Å; I463-R466 WeakPolarHBondContact O-CA 3.43Å; I463-R466 PolarHBondContact O-N 3.35Å; S464-R466 PolarHBondContact O-N 2.69Å; R466-G468 PolarHBondContact O-N 2.85Å; R466-C469 PolarHBondContact O-N 2.72Å; R466-V470 HydrophobicContact CB-CG2 4.2Å
467L95.8Very high93.3Very high1 Ų127 Ų271%0.00515%0.146CC..THydrogen-bonded Turntrans-55.3136.8-179.6-59.5179000109.8I463 C469 Y501 Y504 W529 M541 S554I463-L467 HydrophobicContact CB-CD2 4.04Å; I463-L467 HydrophobicContact CD1-CD2 3.54Å; I463-L467 HydrophobicContact CG1-CD2 3.68Å; I463-L467 PolarHBondContact O-N 3.08Å; L467-C469 VanDerWaalsContact C-N 3.33Å; L467-Y501 WeakPolarHBondContact CB-OH 3.49Å; L467-Y501 WeakPolarHBondContact CD2-OH 3.34Å; L467-Y504 HydrophobicContact CB-CE1 4.27Å; L467-Y504 PolarHBondContact O-OH 3.23Å; L467-W529 HydrophobicContact CB-CZ2 4.25Å; L467-W529 HydrophobicContact CD1-CD2 3.94Å; L467-W529 HydrophobicContact CD1-CE3 4.29Å; L467-W529 HydrophobicContact CD1-CH2 4.04Å; L467-W529 HydrophobicContact CD1-CZ2 3.63Å; L467-W529 HydrophobicContact CD1-CZ3 4.35Å; L467-M541 HydrophobicContact CB-SD 4.2Å; L467-M541 HydrophobicContact CD1-CG 3.57Å; L467-M541 HydrophobicContact CD1-SD 3.74Å; L467-M541 HydrophobicContact CG-CG 4.1Å; L467-M541 HydrophobicContact CG-SD 3.56Å; L467-M541 VanDerWaalsContact CG-SD 3.56Å; L467-S554 PolarHBondContact N-OG 2.68Å; L467-S554 WeakPolarHBondContact O-CB 3.47Å; L467-S554 PolarHBondContact O-OG 3.16Å
468G95Very high94Very high0 Ų026.3 Ų26.30%014%0.139CC..THydrogen-bonded Turntrans81.42.5178.300000116.1R466 E471 V472 Y504 Q512R466-G468 PolarHBondContact O-N 2.85Å; G468-E471 VanDerWaalsContact N-CD 3.3Å; G468-E471 PolarHBondContact N-OE1 2.96Å; G468-E471 PolarHBondContact N-OE2 2.85Å; G468-V472 WeakPolarHBondContact O-CG2 3.32Å; G468-Y504 WeakPolarHBondContact CA-OH 3.4Å; G468-Y504 PolarHBondContact N-OH 3.3Å; G468-Q512 PolarHBondContact O-NE2 2.82Å
469C92.4Very high94.5Very high64 Ų6419.4 Ų19.443%0.43211%0.107SC..THydrogen-bonded Turntrans-105.8-59.1175.4179.90000111R466 L467 E471 V472 E473R466-C469 PolarHBondContact O-N 2.72Å; L467-C469 VanDerWaalsContact C-N 3.33Å; C469-E471 VanDerWaalsContact C-N 3.31Å; C469-E471 PolarHBondContact N-OE2 3.46Å; C469-E471 PolarHBondContact O-N 3.24Å; C469-V472 PolarHBondContact O-N 3.28Å; C469-E473 PolarHBondContact O-N 3.45Å
470V95.2Very high94.9Very high3 Ų323.4 Ų23.42%0.01813%0.127CC..Hα-helixtrans-65.8-39.1-172.3178.60000111R450 I463 R466 D474R450-V470 HydrophobicContact CB-CG1 3.87Å; I463-V470 HydrophobicContact CG2-CB 4.21Å; I463-V470 HydrophobicContact CG2-CG1 4.34Å; R466-V470 HydrophobicContact CB-CG2 4.2Å; V470-D474 PolarHBondContact O-N 3.27Å
471E97.2Very high95.3Very high1 Ų128.7 Ų28.71%0.00515%0.147CC..Hα-helixtrans-68.5-43.1-176.6-50.194.9121.700110.7I463 G468 C469 D474 Q475 Y501 L505I463-E471 HydrophobicContact CG2-CG 3.68Å; G468-E471 VanDerWaalsContact N-CD 3.3Å; G468-E471 PolarHBondContact N-OE1 2.96Å; G468-E471 PolarHBondContact N-OE2 2.85Å; C469-E471 VanDerWaalsContact C-N 3.31Å; C469-E471 PolarHBondContact N-OE2 3.46Å; C469-E471 PolarHBondContact O-N 3.24Å; E471-D474 PolarHBondContact O-N 3.31Å; E471-Q475 VanDerWaalsContact O-CG 3.27Å; E471-Q475 WeakPolarHBondContact O-CG 3.43Å; E471-Q475 PolarHBondContact O-N 2.96Å; E471-Y501 PolarHBondContact OE1-OH 2.89Å; E471-L505 HydrophobicContact CB-CD1 3.72Å; E471-L505 HydrophobicContact CB-CD2 3.92Å; E471-L505 HydrophobicContact CG-CD1 4.34Å; E471-L505 HydrophobicContact CG-CD2 4.41Å
472V96.5Very high95.6Very high2 Ų227.3 Ų27.31%0.01214%0.139CC..Hα-helixtrans-68.3-41-179.6-177.30000111G468 C469 D474 Q475 V476 L505 M508 Y513G468-V472 WeakPolarHBondContact O-CG2 3.32Å; C469-V472 PolarHBondContact O-N 3.28Å; V472-D474 VanDerWaalsContact C-N 3.27Å; V472-D474 PolarHBondContact O-N 3.33Å; V472-Q475 PolarHBondContact O-N 2.98Å; V472-V476 WeakPolarHBondContact O-CG2 3.44Å; V472-V476 PolarHBondContact O-N 3.39Å; V472-V476 VanDerWaalsContact O-N 3.12Å; V472-L505 HydrophobicContact CG2-CD2 4.03Å; V472-M508 HydrophobicContact CG2-CB 3.9Å; V472-Y513 HydrophobicContact CB-CE2 4.32Å; V472-Y513 HydrophobicContact CG1-CD2 3.44Å; V472-Y513 VanDerWaalsContact CG1-CD2 3.44Å; V472-Y513 HydrophobicContact CG1-CE2 3.55Å
473E96.1Very high95.9Very high48 Ų4829.4 Ų29.422%0.22415%0.145CC..Hα-helixtrans-53.9-46.3172.9-175.4-166.7-173.900110.7K389 R450 C469 Q475 V476 N477K389-E473 WeakPolarHBondContact CE-OE1 3.31Å; K389-E473 IonicContact NZ-OE1 2.84Å; R450-E473 IonicContact NH2-OE2 3.52Å; R450-E473 PolarHBondContact NH2-OE2 2.8Å; C469-E473 PolarHBondContact O-N 3.45Å; E473-Q475 VanDerWaalsContact C-N 3.34Å; E473-Q475 PolarHBondContact O-N 3.43Å; E473-V476 PolarHBondContact O-N 3.34Å; E473-N477 WeakPolarHBondContact O-CB 3.44Å; E473-N477 VanDerWaalsContact O-CG 3.3Å; E473-N477 PolarHBondContact O-N 3.18Å; E473-N477 PolarHBondContact O-ND2 3.07Å
474D97.5Very high96Very high0 Ų036.2 Ų36.20%018%0.177CC..Hα-helixtrans-63.7-37.5-179.1-78.8-5000112.8S388 L393 R450 V470 E471 V472 A478S388-D474 VanDerWaalsContact CB-OD1 3.25Å; S388-D474 WeakPolarHBondContact CB-OD1 3.24Å; S388-D474 PolarHBondContact OG-OD1 2.76Å; L393-D474 HydrophobicContact CD1-CB 3.67Å; R450-D474 VanDerWaalsContact CB-OD2 3.25Å; R450-D474 WeakPolarHBondContact CB-OD2 3.48Å; R450-D474 VanDerWaalsContact CG-OD2 3.26Å; R450-D474 WeakPolarHBondContact CG-OD2 3.45Å; R450-D474 IonicContact CZ-OD1 3.9Å; R450-D474 VanDerWaalsContact CZ-OD1 3.31Å; R450-D474 IonicContact CZ-OD2 3.39Å; R450-D474 PolarHBondContact N-OD2 3.31Å; R450-D474 IonicContact NE-OD1 2.76Å; R450-D474 PolarHBondContact NE-OD1 2.92Å; R450-D474 VanDerWaalsContact NE-OD1 3.1Å; R450-D474 IonicContact NE-OD2 3.28Å; R450-D474 PolarHBondContact NE-OD2 3.14Å; R450-D474 IonicContact NH2-OD1 2.72Å; R450-D474 PolarHBondContact NH2-OD1 3.35Å; R450-D474 IonicContact NH2-OD2 3.79Å; V470-D474 PolarHBondContact O-N 3.27Å; E471-D474 PolarHBondContact O-N 3.31Å; V472-D474 VanDerWaalsContact C-N 3.27Å; V472-D474 PolarHBondContact O-N 3.33Å; D474-A478 VanDerWaalsContact O-CB 3.28Å; D474-A478 WeakPolarHBondContact O-CB 3.32Å; D474-A478 PolarHBondContact O-N 3.48Å
475Q97.6Very high96.2Very high2 Ų238.3 Ų38.31%0.00919%0.188CC..Hα-helixtrans-68.4-42.1178-61.2-70.8-35.200111.8I415 T447 E471 V472 E473 A478 L479I415-Q475 VanDerWaalsContact CD1-CD 3.48Å; I415-Q475 HydrophobicContact CD1-CG 3.4Å; I415-Q475 VanDerWaalsContact CD1-CG 3.4Å; I415-Q475 HydrophobicContact CG1-CG 4.36Å; T447-Q475 PolarHBondContact O-NE2 2.99Å; E471-Q475 VanDerWaalsContact O-CG 3.27Å; E471-Q475 WeakPolarHBondContact O-CG 3.43Å; E471-Q475 PolarHBondContact O-N 2.96Å; V472-Q475 PolarHBondContact O-N 2.98Å; E473-Q475 VanDerWaalsContact C-N 3.34Å; E473-Q475 PolarHBondContact O-N 3.43Å; Q475-A478 PolarHBondContact O-N 2.93Å; Q475-L479 VanDerWaalsContact O-CB 3.27Å; Q475-L479 WeakPolarHBondContact O-CB 3.36Å; Q475-L479 PolarHBondContact O-N 3.09Å
476V97.2Very high96.2Very high15 Ų1540 Ų409%0.09119%0.192CC..Hα-helixtrans-64.7-45.6176.31760000110.3V472 E473 A478 L479 L480 Y513 A516 F517V472-V476 WeakPolarHBondContact O-CG2 3.44Å; V472-V476 PolarHBondContact O-N 3.39Å; V472-V476 VanDerWaalsContact O-N 3.12Å; E473-V476 PolarHBondContact O-N 3.34Å; V476-A478 VanDerWaalsContact C-N 3.33Å; V476-A478 PolarHBondContact O-N 3.41Å; V476-L479 PolarHBondContact O-N 3.4Å; V476-L480 HydrophobicContact CG1-CD1 4.13Å; V476-L480 WeakPolarHBondContact O-CG 3.39Å; V476-L480 PolarHBondContact O-N 2.93Å; V476-Y513 HydrophobicContact CG1-CD1 4.43Å; V476-Y513 HydrophobicContact CG2-CD1 3.99Å; V476-Y513 HydrophobicContact CG2-CD2 4.04Å; V476-Y513 HydrophobicContact CG2-CE1 4.36Å; V476-Y513 HydrophobicContact CG2-CE2 4.42Å; V476-Y513 HydrophobicContact CG2-CG 3.82Å; V476-A516 HydrophobicContact CG1-CB 4.49Å; V476-A516 HydrophobicContact CG2-CB 4.29Å; V476-F517 HydrophobicContact CG2-CE2 3.86Å; V476-F517 HydrophobicContact CG2-CZ 3.88Å
477N96.5Very high96.3Very high58 Ų5835.9 Ų35.931%0.3119%0.187SC..Hα-helixtrans-59.4-43.9176.4-74.5-21.3000111.8S388 E473 R481S388-N477 PolarHBondContact OG-ND2 3.25Å; E473-N477 WeakPolarHBondContact O-CB 3.44Å; E473-N477 VanDerWaalsContact O-CG 3.3Å; E473-N477 PolarHBondContact O-N 3.18Å; E473-N477 PolarHBondContact O-ND2 3.07Å; N477-R481 WeakPolarHBondContact O-CB 3.14Å; N477-R481 PolarHBondContact O-N 2.98Å
478A97.3Very high96.2Very high0 Ų035.9 Ų35.90%019%0.187CC..Hα-helixtrans-66.1-45.1177.500000112.5V386 T447 D474 Q475 V476 L480 R481 I482V386-A478 HydrophobicContact CG1-CB 4.41Å; V386-A478 HydrophobicContact CG2-CB 4.05Å; T447-A478 HydrophobicContact CG2-CB 3.62Å; T447-A478 WeakPolarHBondContact OG1-CB 3.32Å; D474-A478 VanDerWaalsContact O-CB 3.28Å; D474-A478 WeakPolarHBondContact O-CB 3.32Å; D474-A478 PolarHBondContact O-N 3.48Å; Q475-A478 PolarHBondContact O-N 2.93Å; V476-A478 VanDerWaalsContact C-N 3.33Å; V476-A478 PolarHBondContact O-N 3.41Å; A478-L480 PolarHBondContact O-N 3.29Å; A478-R481 PolarHBondContact O-N 3.43Å; A478-I482 WeakPolarHBondContact O-CB 3.41Å; A478-I482 WeakPolarHBondContact O-CD1 3.43Å; A478-I482 WeakPolarHBondContact O-CG1 3.36Å; A478-I482 PolarHBondContact O-N 3.31Å
479L97.7Very high96.4Very high2 Ų235.9 Ų35.91%0.0119%0.187CC..Hα-helixtrans-55.7-49.1176.8-179.469.4000111.7T411 V413 Q475 V476 R481 I482 K483 I489 L491 V494 F517T411-L479 HydrophobicContact CG2-CD1 4.48Å; V413-L479 HydrophobicContact CG2-CD1 3.81Å; V413-L479 HydrophobicContact CG2-CD2 4.47Å; Q475-L479 VanDerWaalsContact O-CB 3.27Å; Q475-L479 WeakPolarHBondContact O-CB 3.36Å; Q475-L479 PolarHBondContact O-N 3.09Å; V476-L479 PolarHBondContact O-N 3.4Å; L479-R481 PolarHBondContact O-N 2.62Å; L479-I482 PolarHBondContact O-N 2.88Å; L479-K483 WeakPolarHBondContact O-CB 3.37Å; L479-K483 PolarHBondContact O-N 2.88Å; L479-I489 HydrophobicContact CD1-CD1 4.01Å; L479-I489 HydrophobicContact CD1-CG2 4.09Å; L479-L491 HydrophobicContact CD2-CD2 4.15Å; L479-L491 HydrophobicContact CG-CD2 4.04Å; L479-V494 HydrophobicContact CD1-CG1 4.28Å; L479-V494 HydrophobicContact CD2-CG1 3.94Å; L479-V494 HydrophobicContact CD2-CG2 4.26Å; L479-F517 HydrophobicContact CD2-CE1 4.33Å
480L96.9Very high96.6Very high86 Ų8634.3 Ų34.345%0.4518%0.175SC..Hα-helixtrans-63.6-40.9178.2-67.6175.7000111.9V476 A478 K483 H484 L491V476-L480 HydrophobicContact CG1-CD1 4.13Å; V476-L480 WeakPolarHBondContact O-CG 3.39Å; V476-L480 PolarHBondContact O-N 2.93Å; A478-L480 PolarHBondContact O-N 3.29Å; L480-K483 PolarHBondContact O-N 3.22Å; L480-H484 WeakPolarHBondContact O-CB 3.46Å; L480-H484 PolarHBondContact O-N 3.43Å; L480-L491 HydrophobicContact CD2-CD1 3.85Å; L480-L491 HydrophobicContact CD2-CD2 4.3Å
481R97.1Very high96.7Very high116 Ų11637.3 Ų37.344%0.43819%0.19SC..Hα-helixtrans-65.8-45.5177.7-179.857.3176.9176.43.1112T384 V386 N477 A478 L479 K483 H484 V485T384-R481 HydrophobicContact CG2-CG 4.32Å; V386-R481 HydrophobicContact CB-CG 4.39Å; V386-R481 HydrophobicContact CG1-CB 3.96Å; V386-R481 HydrophobicContact CG1-CG 4.13Å; V386-R481 HydrophobicContact CG2-CB 4.01Å; V386-R481 HydrophobicContact CG2-CG 3.84Å; N477-R481 WeakPolarHBondContact O-CB 3.14Å; N477-R481 PolarHBondContact O-N 2.98Å; A478-R481 PolarHBondContact O-N 3.43Å; L479-R481 PolarHBondContact O-N 2.62Å; R481-K483 VanDerWaalsContact C-N 3.32Å; R481-K483 PolarHBondContact O-N 2.76Å; R481-H484 PolarHBondContact O-N 2.71Å; R481-V485 HydrophobicContact CG-CG2 4.43Å; R481-V485 WeakPolarHBondContact O-CG2 3.34Å; R481-V485 PolarHBondContact O-N 3.1Å
482I97.1Very high96.7Very high0 Ų040.9 Ų40.90%022%0.215CC..Hα-helixtrans-62.4-42.3178-65.7162.5000109.9T384 L397 V445 A478 L479 H484 V485 H486 I489T384-I482 HydrophobicContact CG2-CG1 4.17Å; L397-I482 HydrophobicContact CB-CG2 4.02Å; L397-I482 HydrophobicContact CD1-CG2 4.36Å; L397-I482 HydrophobicContact CD2-CG2 3.81Å; L397-I482 HydrophobicContact CG-CG2 4.28Å; V445-I482 HydrophobicContact CG1-CD1 3.54Å; V445-I482 HydrophobicContact CG2-CD1 4.27Å; V445-I482 HydrophobicContact CG2-CG2 4.44Å; A478-I482 WeakPolarHBondContact O-CB 3.41Å; A478-I482 WeakPolarHBondContact O-CD1 3.43Å; A478-I482 WeakPolarHBondContact O-CG1 3.36Å; A478-I482 PolarHBondContact O-N 3.31Å; L479-I482 PolarHBondContact O-N 2.88Å; I482-H484 VanDerWaalsContact C-N 3.34Å; I482-H484 PolarHBondContact O-N 3.49Å; I482-V485 PolarHBondContact O-N 3.08Å; I482-H486 PolarHBondContact O-N 3.39Å; I482-I489 HydrophobicContact CB-CD1 3.93Å; I482-I489 HydrophobicContact CG2-CD1 3.47Å; I482-I489 VanDerWaalsContact CG2-CD1 3.47Å
483K96.7Very high96.8Very high59 Ų5944.8 Ų44.826%0.25723%0.23SC..Hα-helixtrans-56.6-48.5173.217058.9-178.4179.80111.3L479 L480 R481 G487 I489 L491L479-K483 WeakPolarHBondContact O-CB 3.37Å; L479-K483 PolarHBondContact O-N 2.88Å; L480-K483 PolarHBondContact O-N 3.22Å; R481-K483 VanDerWaalsContact C-N 3.32Å; R481-K483 PolarHBondContact O-N 2.76Å; K483-G487 PolarHBondContact NZ-O 2.82Å; K483-G487 VanDerWaalsContact O-CA 3.24Å; K483-G487 WeakPolarHBondContact O-CA 3.35Å; K483-G487 PolarHBondContact O-N 3.31Å; K483-I489 HydrophobicContact CB-CB 4.19Å; K483-I489 HydrophobicContact CB-CD1 4.39Å; K483-I489 HydrophobicContact CD-CB 4Å; K483-I489 WeakPolarHBondContact CD-O 3.29Å; K483-I489 WeakPolarHBondContact CE-O 3.35Å; K483-I489 PolarHBondContact NZ-O 2.84Å; K483-L491 HydrophobicContact CB-CD2 4.42Å; K483-L491 HydrophobicContact CG-CD1 4.16Å; K483-L491 HydrophobicContact CG-CG 4.23Å
484H96.1Very high96.9Very high143 Ų14342.5 Ų42.566%0.66222%0.219SC*.Hα-helixtrans-63-41.1-179.417676.4000112.6L480 R481 I482L480-H484 WeakPolarHBondContact O-CB 3.46Å; L480-H484 PolarHBondContact O-N 3.43Å; R481-H484 PolarHBondContact O-N 2.71Å; I482-H484 VanDerWaalsContact C-N 3.34Å; I482-H484 PolarHBondContact O-N 3.49Å
485V95.9Very high97Very high68 Ų6842.5 Ų42.541%0.41222%0.219SC..Hα-helixtrans-74.4-44.2-177.3174.10000112.3T384 R481 I482T384-V485 HydrophobicContact CG2-CG2 4.43Å; R481-V485 HydrophobicContact CG-CG2 4.43Å; R481-V485 WeakPolarHBondContact O-CG2 3.34Å; R481-V485 PolarHBondContact O-N 3.1Å; I482-V485 PolarHBondContact O-N 3.08Å
486H95.3Very high97Very high50 Ų5042.5 Ų42.523%0.23122%0.219CC..Hα-helixtrans-106.7-18.1-169.5-61.3-67000114.3T384 L397 I482 T488T384-H486 PolarHBondContact OG1-NE2 2.83Å; L397-H486 HydrophobicContact CD2-CB 3.83Å; I482-H486 PolarHBondContact O-N 3.39Å; H486-T488 PolarHBondContact O-N 3.18Å; H486-T488 PolarHBondContact O-OG1 3.19Å
487G95.2Very high97Very high35 Ų3542.1 Ų42.136%0.36122%0.216SC..  trans71.2-12-178.600000115.4V408 K483 I489V408-G487 WeakPolarHBondContact CG1-O 3.44Å; K483-G487 PolarHBondContact NZ-O 2.82Å; K483-G487 VanDerWaalsContact O-CA 3.24Å; K483-G487 WeakPolarHBondContact O-CA 3.35Å; K483-G487 PolarHBondContact O-N 3.31Å; G487-I489 PolarHBondContact O-N 3.48Å
488T94.6Very high97Very high1 Ų139.5 Ų39.51%0.00620%0.204CC..  trans-70.5-21.2-169.4-52.20000116R399 W403 V408 L409 H486R399-T488 HydrophobicContact CG-CG2 4.01Å; W403-T488 HydrophobicContact CZ2-CG2 4.4Å; V408-T488 CarbonylContact C-O 3.59Å; V408-T488 VanDerWaalsContact CA-O 3.26Å; V408-T488 WeakPolarHBondContact CA-O 3.42Å; L409-T488 HydrophobicContact CD1-CG2 3.9Å; L409-T488 HydrophobicContact CG-CG2 4.12Å; L409-T488 PolarHBondContact N-O 2.7Å; H486-T488 PolarHBondContact O-N 3.18Å; H486-T488 PolarHBondContact O-OG1 3.19Å
489I97.7Very high96.8Very high0 Ų040.1 Ų40.10%021%0.206CC..EExtended strand (participates in β ladder)trans-86.5136.4-170.7-67161.9000111.2T411 V445 L479 I482 K483 G487 L491 V494T411-I489 HydrophobicContact CG2-CG1 4.18Å; T411-I489 HydrophobicContact CG2-CG2 4.4Å; V445-I489 HydrophobicContact CG2-CD1 3.88Å; L479-I489 HydrophobicContact CD1-CD1 4.01Å; L479-I489 HydrophobicContact CD1-CG2 4.09Å; I482-I489 HydrophobicContact CB-CD1 3.93Å; I482-I489 HydrophobicContact CG2-CD1 3.47Å; I482-I489 VanDerWaalsContact CG2-CD1 3.47Å; K483-I489 HydrophobicContact CB-CB 4.19Å; K483-I489 HydrophobicContact CB-CD1 4.39Å; K483-I489 HydrophobicContact CD-CB 4Å; K483-I489 WeakPolarHBondContact CD-O 3.29Å; K483-I489 WeakPolarHBondContact CE-O 3.35Å; K483-I489 PolarHBondContact NZ-O 2.84Å; G487-I489 PolarHBondContact O-N 3.48Å; I489-L491 HydrophobicContact CG2-CD2 3.9Å; I489-L491 HydrophobicContact CG2-CG 4.46Å; I489-V494 HydrophobicContact CG2-CG2 4.38Å
490D97.7Very high96.7Very high32 Ų3240.4 Ų40.417%0.17121%0.208CC..EExtended strand (participates in β ladder)trans-94.1103.9164.4-174.8-11.5000109.8V408 L409 S492 R493 V494V408-D490 HydrophobicContact CB-CB 4.28Å; V408-D490 HydrophobicContact CG2-CB 4.44Å; L409-D490 WeakPolarHBondContact O-CB 3.39Å; L409-D490 PolarHBondContact O-N 3.46Å; D490-S492 PolarHBondContact O-N 2.9Å; D490-S492 VanDerWaalsContact O-N 3.14Å; D490-S492 WeakPolarHBondContact OD1-CB 3.31Å; D490-S492 PolarHBondContact OD1-N 3.5Å; D490-S492 PolarHBondContact OD1-OG 3.4Å; D490-S492 PolarHBondContact OD2-OG 2.88Å; D490-R493 CarbonylContact O-C 3.07Å; D490-R493 PolarHBondContact O-N 2.85Å; D490-R493 IonicContact OD2-CZ 2.95Å; D490-R493 VanDerWaalsContact OD2-CZ 3.25Å; D490-R493 IonicContact OD2-NE 3.72Å; D490-R493 PolarHBondContact OD2-NE 3.44Å; D490-R493 IonicContact OD2-NH2 3.65Å; D490-R493 PolarHBondContact OD2-NH2 3.16Å; D490-V494 WeakPolarHBondContact O-CG2 3.21Å
491L97.5Very high96.7Very high66 Ų6636.4 Ų36.435%0.34619%0.187SC..EExtended strand (participates in β ladder)trans-65.7-14.8-177.2-67.3177.4000113.5L479 L480 K483 I489 R493L479-L491 HydrophobicContact CD2-CD2 4.15Å; L479-L491 HydrophobicContact CG-CD2 4.04Å; L480-L491 HydrophobicContact CD2-CD1 3.85Å; L480-L491 HydrophobicContact CD2-CD2 4.3Å; K483-L491 HydrophobicContact CB-CD2 4.42Å; K483-L491 HydrophobicContact CG-CD1 4.16Å; K483-L491 HydrophobicContact CG-CG 4.23Å; I489-L491 HydrophobicContact CG2-CD2 3.9Å; I489-L491 HydrophobicContact CG2-CG 4.46Å; L491-R493 VanDerWaalsContact C-N 3.31Å
492S97.3Very high96.7Very high76 Ų7630.9 Ų30.953%0.53117%0.166SC..EExtended strand (participates in β ladder)trans-80.1-14.9174.672.80000113.3D490D490-S492 PolarHBondContact O-N 2.9Å; D490-S492 VanDerWaalsContact O-N 3.14Å; D490-S492 WeakPolarHBondContact OD1-CB 3.31Å; D490-S492 PolarHBondContact OD1-N 3.5Å; D490-S492 PolarHBondContact OD1-OG 3.4Å; D490-S492 PolarHBondContact OD2-OG 2.88Å
493R97.9Very high96.8Very high83 Ų8330.9 Ų30.931%0.31317%0.166SC..EExtended strand (participates in β ladder)trans-131.767.4-174.7-67-175.2-67.7154.33.7111.3P410 T411 D490 L491 L633P410-R493 WeakPolarHBondContact CA-O 3.49Å; P410-R493 HydrophobicContact CB-CB 4.06Å; T411-R493 PolarHBondContact N-O 3.26Å; D490-R493 CarbonylContact O-C 3.07Å; D490-R493 PolarHBondContact O-N 2.85Å; D490-R493 IonicContact OD2-CZ 2.95Å; D490-R493 VanDerWaalsContact OD2-CZ 3.25Å; D490-R493 IonicContact OD2-NE 3.72Å; D490-R493 PolarHBondContact OD2-NE 3.44Å; D490-R493 IonicContact OD2-NH2 3.65Å; D490-R493 PolarHBondContact OD2-NH2 3.16Å; L491-R493 VanDerWaalsContact C-N 3.31Å; R493-L633 VanDerWaalsContact C-CD1 3.42Å; R493-L633 HydrophobicContact CB-CD1 4.02Å; R493-L633 HydrophobicContact CB-CG 4.24Å; R493-L633 WeakPolarHBondContact CD-O 3.49Å; R493-L633 WeakPolarHBondContact CG-O 3.45Å
494V98.7Very high96.9Very high0 Ų028.1 Ų28.10%015%0.154CC..EExtended strand (participates in β ladder)trans-115.5120.3177.4-173.50000111.5T411 V413 L479 I489 D490 A516 F517 K518 V519T411-V494 CarbonylContact O-C 3.5Å; T411-V494 VanDerWaalsContact O-CA 3.25Å; T411-V494 WeakPolarHBondContact O-CA 3.44Å; V413-V494 HydrophobicContact CG2-CG1 3.71Å; L479-V494 HydrophobicContact CD1-CG1 4.28Å; L479-V494 HydrophobicContact CD2-CG1 3.94Å; L479-V494 HydrophobicContact CD2-CG2 4.26Å; I489-V494 HydrophobicContact CG2-CG2 4.38Å; D490-V494 WeakPolarHBondContact O-CG2 3.21Å; V494-A516 WeakPolarHBondContact CB-O 3.28Å; V494-F517 HydrophobicContact CG1-CD1 3.92Å; V494-F517 HydrophobicContact CG1-CE1 4.3Å; V494-F517 CarbonylContact O-C 3.59Å; V494-K518 PolarHBondContact O-N 2.86Å; V494-V519 PolarHBondContact O-N 2.95Å
495A98.6Very high97Very high0 Ų021.3 Ų21.30%012%0.122CC..EExtended strand (participates in β ladder)trans-89.2140.7166.900000110.7T411 I412 V413 V519 L629 L633T411-A495 PolarHBondContact O-N 3.24Å; I412-A495 HydrophobicContact CG1-CB 4.36Å; V413-A495 PolarHBondContact N-O 3.33Å; A495-V519 WeakPolarHBondContact CA-O 3.12Å; A495-V519 HydrophobicContact CB-CG2 3.51Å; A495-L629 HydrophobicContact CB-CD2 3.71Å; A495-L633 HydrophobicContact CB-CD2 3.73Å
496L98.5Very high97.1Very high2 Ų218 Ų181%0.0110%0.103CC..EExtended strand (participates in β ladder)trans-106120.7165.1-173.960.6000109.2V413 I415 A506 F517 V519 A520 I521V413-L496 HydrophobicContact CB-CD1 3.85Å; V413-L496 HydrophobicContact CG1-CD1 3.6Å; I415-L496 HydrophobicContact CB-CD1 4.34Å; I415-L496 HydrophobicContact CG2-CD1 3.85Å; I415-L496 HydrophobicContact CG2-CG 4.43Å; L496-A506 HydrophobicContact CG-CB 4.23Å; L496-F517 HydrophobicContact CB-CB 4.3Å; L496-F517 HydrophobicContact CB-CD1 3.65Å; L496-F517 HydrophobicContact CB-CE1 4.07Å; L496-F517 HydrophobicContact CB-CG 3.88Å; L496-F517 HydrophobicContact CD1-CD1 4.45Å; L496-F517 HydrophobicContact CD1-CE1 3.99Å; L496-F517 HydrophobicContact CD1-CZ 4.23Å; L496-F517 HydrophobicContact CD2-CD1 4.32Å; L496-F517 HydrophobicContact CD2-CD2 3.97Å; L496-F517 HydrophobicContact CD2-CE1 4.21Å; L496-F517 HydrophobicContact CD2-CE2 3.87Å; L496-F517 HydrophobicContact CD2-CG 4.19Å; L496-F517 HydrophobicContact CD2-CZ 3.99Å; L496-F517 HydrophobicContact CG-CD1 4.36Å; L496-F517 HydrophobicContact CG-CE1 4.32Å; L496-V519 PolarHBondContact N-O 3.13Å; L496-A520 CarbonylContact O-C 3.54Å; L496-A520 WeakPolarHBondContact O-CA 3.5Å; L496-I521 PolarHBondContact O-N 2.84Å
497M97.5Very high97.2Very high7 Ų715.7 Ų15.73%0.0349%0.092CC..EExtended strand (participates in β ladder)trans-137.1133.8-173.5176.8172.371.500111.6I412 V413 Y414 I415 Y437 I521 I625I412-M497 HydrophobicContact CG2-CB 4.25Å; I412-M497 HydrophobicContact CG2-CE 3.73Å; V413-M497 PolarHBondContact O-N 2.88Å; Y414-M497 WeakPolarHBondContact CA-O 3.4Å; Y414-M497 HydrophobicContact CD2-CE 3.69Å; Y414-M497 HydrophobicContact CD2-CG 4.45Å; Y414-M497 HydrophobicContact CE2-CE 4.16Å; I415-M497 PolarHBondContact N-O 3.27Å; Y437-M497 HydrophobicContact CE1-CE 4.19Å; Y437-M497 HydrophobicContact CE2-CE 3.63Å; Y437-M497 VanDerWaalsContact CZ-CE 3.43Å; Y437-M497 VanDerWaalsContact OH-CE 3.23Å; Y437-M497 WeakPolarHBondContact OH-CE 3.47Å; M497-I521 WeakPolarHBondContact CA-O 3.46Å; M497-I521 HydrophobicContact CB-CB 4.14Å; M497-I521 HydrophobicContact CG-CB 3.9Å; M497-I521 HydrophobicContact CG-CG2 4.15Å; M497-I521 HydrophobicContact SD-CB 4.31Å; M497-I521 HydrophobicContact SD-CD1 4.05Å; M497-I521 HydrophobicContact SD-CG2 4.3Å; M497-I625 HydrophobicContact SD-CD1 4.46Å; M497-I625 HydrophobicContact SD-CG2 3.83Å
498G95.8Very high97.4Very high4 Ų414.1 Ų14.14%0.0418%0.075CC..EExtended strand (participates in β ladder)trans-169.2179.3176.100000111.4I415 G502 G503 I521 G523I415-G498 VanDerWaalsContact O-CA 3.28Å; I415-G498 WeakPolarHBondContact O-CA 3.39Å; G498-G502 VanDerWaalsContact C-C 3.42Å; G498-G503 VanDerWaalsContact C-N 3.26Å; G498-G503 WeakPolarHBondContact O-CA 3.32Å; G498-I521 PolarHBondContact N-O 3.44Å; G498-G523 PolarHBondContact O-N 2.71Å
499W94.2Very high97.5Very high12 Ų1214.1 Ų14.15%0.0458%0.075CC..EExtended strand (participates in β ladder)trans-146.2159.2178.6-176.3-66.8000112.3W67 Y501 G502 G503 G523 A524 L573 H610 F612 M621W67-W499 AromaticContact CE3-CD1 3.93Å; W67-W499 HydrophobicContact CE3-CG 4.14Å; W67-W499 HydrophobicContact CH2-CB 3.07Å; W67-W499 AromaticContact CH2-CD1 3.79Å; W67-W499 AromaticContact CH2-CD2 3.38Å; W67-W499 HydrophobicContact CH2-CD2 3.38Å; W67-W499 AromaticContact CH2-CE3 3.68Å; W67-W499 HydrophobicContact CH2-CE3 3.68Å; W67-W499 AromaticContact CH2-CG 3.15Å; W67-W499 HydrophobicContact CH2-CG 3.15Å; W67-W499 HydrophobicContact CZ2-CB 4.39Å; W67-W499 HydrophobicContact CZ2-CD2 4.49Å; W67-W499 HydrophobicContact CZ2-CG 4.49Å; W67-W499 HydrophobicContact CZ3-CB 3.16Å; W67-W499 AromaticContact CZ3-CD1 3.08Å; W67-W499 AromaticContact CZ3-CD2 3.51Å; W67-W499 HydrophobicContact CZ3-CD2 3.51Å; W67-W499 HydrophobicContact CZ3-CE3 4.28Å; W67-W499 AromaticContact CZ3-CG 2.96Å; W67-W499 HydrophobicContact CZ3-CG 2.96Å; W67-W499 AromaticContact CZ3-NE1 3.66Å; W499-Y501 PolarHBondContact O-N 3.48Å; W499-G502 WeakPolarHBondContact O-CA 2.92Å; W499-G502 PolarHBondContact O-N 2.82Å; W499-G503 VanDerWaalsContact C-N 3.32Å; W499-G503 VanDerWaalsContact CA-N 3.3Å; W499-G523 CarbonylContact C-O 3.59Å; W499-G523 WeakPolarHBondContact CA-O 3.35Å; W499-G523 VanDerWaalsContact CD2-C 3.49Å; W499-G523 VanDerWaalsContact CD2-CA 3.45Å; W499-A524 HydrophobicContact CD2-CB 4.32Å; W499-A524 HydrophobicContact CG-CB 4.43Å; W499-A524 HydrophobicContact CZ2-CB 3.78Å; W499-A524 VanDerWaalsContact NE1-CB 3.33Å; W499-L573 HydrophobicContact CH2-CB 4.1Å; W499-L573 HydrophobicContact CZ3-CB 3.66Å; W499-L573 HydrophobicContact CZ3-CD1 4.11Å; W499-H610 PolarHBondContact NE1-O 2.66Å; W499-F612 HydrophobicContact CH2-CD2 4.17Å; W499-F612 AromaticContact CH2-CE2 3.28Å; W499-F612 HydrophobicContact CH2-CE2 3.28Å; W499-F612 AromaticContact CH2-CZ 3.62Å; W499-F612 HydrophobicContact CH2-CZ 3.62Å; W499-F612 HydrophobicContact CZ2-CD2 4.12Å; W499-F612 AromaticContact CZ2-CE2 3.48Å; W499-F612 HydrophobicContact CZ2-CE2 3.48Å; W499-F612 VanDerWaalsContact CZ2-CE2 3.48Å; W499-F612 HydrophobicContact CZ2-CZ 4.29Å; W499-F612 HydrophobicContact CZ3-CE2 4.34Å; W499-F612 HydrophobicContact CZ3-CZ 4.46Å; W499-M621 HydrophobicContact CE3-SD 4.24Å; W499-M621 HydrophobicContact CH2-SD 4.03Å; W499-M621 HydrophobicContact CZ3-SD 3.5Å; W499-M621 VanDerWaalsContact CZ3-SD 3.5Å
500S95.3Very high97.6Very high8 Ų814.1 Ų14.16%0.0568%0.075CC..THydrogen-bonded Turntrans57-121.4-168.3-169.20000108G502 G503 Y504 G523 A524 H610S500-G502 PolarHBondContact O-N 3.3Å; S500-G503 WeakPolarHBondContact O-CA 3.38Å; S500-G503 PolarHBondContact O-N 3.04Å; S500-Y504 PolarHBondContact O-N 3.12Å; S500-G523 PolarHBondContact N-O 2.76Å; S500-A524 WeakPolarHBondContact CA-O 3.35Å; S500-H610 VanDerWaalsContact CB-NE2 3.32Å; S500-H610 WeakPolarHBondContact CB-NE2 3.23Å; S500-H610 PolarHBondContact OG-CE1 2.9Å; S500-H610 PolarHBondContact OG-NE2 2.76Å
501Y97.1Very high97.6Very high3 Ų312.8 Ų12.81%0.0127%0.068CC..Hα-helixtrans-55.8-38.2171.3-154.1-78.4000113.1Y416 G418 L467 E471 W499 G503 Y504 L505 W529 Y536Y416-Y501 CarbonylContact O-C 3.52Å; Y416-Y501 WeakPolarHBondContact O-CD1 3.16Å; G418-Y501 VanDerWaalsContact CA-CE1 3.48Å; G418-Y501 VanDerWaalsContact CA-CG 3.43Å; G418-Y501 VanDerWaalsContact N-CD1 3.31Å; L467-Y501 WeakPolarHBondContact CB-OH 3.49Å; L467-Y501 WeakPolarHBondContact CD2-OH 3.34Å; E471-Y501 PolarHBondContact OE1-OH 2.89Å; W499-Y501 PolarHBondContact O-N 3.48Å; Y501-G503 VanDerWaalsContact C-N 3.27Å; Y501-G503 PolarHBondContact O-N 3.1Å; Y501-Y504 HydrophobicContact CD1-CD1 4.27Å; Y501-Y504 HydrophobicContact CE1-CD1 4.04Å; Y501-Y504 HydrophobicContact CE1-CE1 4.35Å; Y501-Y504 HydrophobicContact CE2-CD1 4.42Å; Y501-Y504 WeakPolarHBondContact O-CB 3.45Å; Y501-Y504 PolarHBondContact O-N 3.33Å; Y501-L505 HydrophobicContact CD1-CD1 3.84Å; Y501-L505 HydrophobicContact CD1-CD2 4.34Å; Y501-L505 HydrophobicContact CD1-CG 3.76Å; Y501-L505 HydrophobicContact CE1-CD1 3.81Å; Y501-L505 HydrophobicContact CE1-CD2 3.82Å; Y501-L505 HydrophobicContact CE1-CG 3.73Å; Y501-L505 WeakPolarHBondContact O-CG 3.36Å; Y501-L505 PolarHBondContact O-N 2.7Å; Y501-W529 AromaticContact CD2-CH2 3.73Å; Y501-W529 HydrophobicContact CD2-CH2 3.73Å; Y501-W529 HydrophobicContact CD2-CZ2 4.17Å; Y501-W529 AromaticContact CE2-CH2 3.49Å; Y501-W529 HydrophobicContact CE2-CH2 3.49Å; Y501-W529 VanDerWaalsContact CE2-CH2 3.49Å; Y501-W529 AromaticContact CE2-CZ2 3.63Å; Y501-W529 HydrophobicContact CE2-CZ2 3.63Å; Y501-Y536 VanDerWaalsContact CD2-OH 3.23Å; Y501-Y536 WeakPolarHBondContact CD2-OH 2.95Å; Y501-Y536 WeakPolarHBondContact CE2-OH 3.29Å
502G97.1Very high97.5Very high0 Ų012.3 Ų12.30%06%0.064CC..Hα-helixtrans-64.8-31.8175.400000113I415 Y416 G498 W499 S500 L505 A506I415-G502 WeakPolarHBondContact O-CA 3.44Å; Y416-G502 WeakPolarHBondContact O-CA 3.35Å; Y416-G502 PolarHBondContact O-N 3.41Å; G498-G502 VanDerWaalsContact C-C 3.42Å; W499-G502 WeakPolarHBondContact O-CA 2.92Å; W499-G502 PolarHBondContact O-N 2.82Å; S500-G502 PolarHBondContact O-N 3.3Å; G502-L505 PolarHBondContact O-N 3.35Å; G502-A506 WeakPolarHBondContact O-CB 3.48Å; G502-A506 PolarHBondContact O-N 3.22Å
503G97.7Very high97.5Very high0 Ų012.1 Ų12.10%05%0.053CC..Hα-helixtrans-72.3-40.3176.100000110.9G498 W499 S500 Y501 A506 L507 A522G498-G503 VanDerWaalsContact C-N 3.26Å; G498-G503 WeakPolarHBondContact O-CA 3.32Å; W499-G503 VanDerWaalsContact C-N 3.32Å; W499-G503 VanDerWaalsContact CA-N 3.3Å; S500-G503 WeakPolarHBondContact O-CA 3.38Å; S500-G503 PolarHBondContact O-N 3.04Å; Y501-G503 VanDerWaalsContact C-N 3.27Å; Y501-G503 PolarHBondContact O-N 3.1Å; G503-A506 WeakPolarHBondContact O-CB 3.48Å; G503-A506 PolarHBondContact O-N 2.87Å; G503-L507 WeakPolarHBondContact O-CG 3.41Å; G503-L507 PolarHBondContact O-N 2.79Å; G503-L507 VanDerWaalsContact O-N 3.08Å; G503-A522 WeakPolarHBondContact O-CB 3.38Å
504Y98.3Very high97.5Very high0 Ų010.8 Ų10.80%06%0.055CC..Hα-helixtrans-55.7-50.7168.5164.2-117.7000111.2L467 G468 S500 Y501 A506 L507 M508 V526 W529 S554 V556L467-Y504 HydrophobicContact CB-CE1 4.27Å; L467-Y504 PolarHBondContact O-OH 3.23Å; G468-Y504 WeakPolarHBondContact CA-OH 3.4Å; G468-Y504 PolarHBondContact N-OH 3.3Å; S500-Y504 PolarHBondContact O-N 3.12Å; Y501-Y504 HydrophobicContact CD1-CD1 4.27Å; Y501-Y504 HydrophobicContact CE1-CD1 4.04Å; Y501-Y504 HydrophobicContact CE1-CE1 4.35Å; Y501-Y504 HydrophobicContact CE2-CD1 4.42Å; Y501-Y504 WeakPolarHBondContact O-CB 3.45Å; Y501-Y504 PolarHBondContact O-N 3.33Å; Y504-A506 VanDerWaalsContact C-N 3.3Å; Y504-A506 PolarHBondContact O-N 3.08Å; Y504-L507 WeakPolarHBondContact O-CB 3.33Å; Y504-L507 PolarHBondContact O-N 3.43Å; Y504-L507 VanDerWaalsContact O-N 3.16Å; Y504-M508 HydrophobicContact CD2-CG 3.79Å; Y504-M508 HydrophobicContact CD2-SD 4.44Å; Y504-M508 HydrophobicContact CE1-CG 4.26Å; Y504-M508 HydrophobicContact CE2-CE 4.23Å; Y504-M508 HydrophobicContact CE2-CG 3.39Å; Y504-M508 HydrophobicContact CE2-SD 3.68Å; Y504-M508 HydrophobicContact CG-CG 4.41Å; Y504-M508 WeakPolarHBondContact O-CG 3.27Å; Y504-M508 PolarHBondContact O-N 2.75Å; Y504-V526 WeakPolarHBondContact CB-O 3.32Å; Y504-V526 WeakPolarHBondContact CD2-O 3.19Å; Y504-W529 AromaticContact CD1-CZ2 3.88Å; Y504-W529 HydrophobicContact CD1-CZ2 3.88Å; Y504-W529 AromaticContact CE1-CZ2 3.76Å; Y504-W529 HydrophobicContact CE1-CZ2 3.76Å; Y504-W529 AromaticContact CE1-NE1 3.94Å; Y504-W529 AromaticContact CE2-NE1 3.94Å; Y504-W529 HydrophobicContact CG-CZ2 4.43Å; Y504-W529 AromaticContact CZ-NE1 3.5Å; Y504-W529 PolarHBondContact OH-NE1 2.97Å; Y504-S554 WeakPolarHBondContact CE2-O 3.48Å; Y504-S554 PolarHBondContact OH-O 3.14Å; Y504-V556 HydrophobicContact CD2-CG2 3.72Å; Y504-V556 HydrophobicContact CE2-CG2 3.88Å
505L98.3Very high97.3Very high0 Ų016 Ų160%09%0.092CC..Hα-helixtrans-65.6-30.7177.8-64.9-174.2000113.3I415 Y416 E471 V472 Y501 G502 L507 M508 G509I415-L505 HydrophobicContact CD1-CB 3.8Å; I415-L505 HydrophobicContact CD1-CD1 3.41Å; I415-L505 VanDerWaalsContact CD1-CD1 3.41Å; I415-L505 HydrophobicContact CD1-CG 4.26Å; I415-L505 HydrophobicContact CG1-CD1 3.99Å; I415-L505 HydrophobicContact CG2-CB 4.44Å; Y416-L505 WeakPolarHBondContact O-CD1 3.46Å; E471-L505 HydrophobicContact CB-CD1 3.72Å; E471-L505 HydrophobicContact CB-CD2 3.92Å; E471-L505 HydrophobicContact CG-CD1 4.34Å; E471-L505 HydrophobicContact CG-CD2 4.41Å; V472-L505 HydrophobicContact CG2-CD2 4.03Å; Y501-L505 HydrophobicContact CD1-CD1 3.84Å; Y501-L505 HydrophobicContact CD1-CD2 4.34Å; Y501-L505 HydrophobicContact CD1-CG 3.76Å; Y501-L505 HydrophobicContact CE1-CD1 3.81Å; Y501-L505 HydrophobicContact CE1-CD2 3.82Å; Y501-L505 HydrophobicContact CE1-CG 3.73Å; Y501-L505 WeakPolarHBondContact O-CG 3.36Å; Y501-L505 PolarHBondContact O-N 2.7Å; G502-L505 PolarHBondContact O-N 3.35Å; L505-L507 VanDerWaalsContact C-N 3.35Å; L505-M508 PolarHBondContact O-N 3.06Å; L505-G509 PolarHBondContact O-N 2.88Å
506A98.5Very high97.3Very high0 Ų017 Ų170%010%0.099CC..Hα-helixtrans-62.4-42.5172.800000111.8L496 G502 G503 Y504 L510 A520 A522L496-A506 HydrophobicContact CG-CB 4.23Å; G502-A506 WeakPolarHBondContact O-CB 3.48Å; G502-A506 PolarHBondContact O-N 3.22Å; G503-A506 WeakPolarHBondContact O-CB 3.48Å; G503-A506 PolarHBondContact O-N 2.87Å; Y504-A506 VanDerWaalsContact C-N 3.3Å; Y504-A506 PolarHBondContact O-N 3.08Å; A506-L510 WeakPolarHBondContact O-CB 3.41Å; A506-L510 PolarHBondContact O-N 3.17Å; A506-A520 HydrophobicContact CB-CB 4.36Å; A506-A520 WeakPolarHBondContact O-CB 3.26Å; A506-A522 HydrophobicContact CB-CB 4.27Å
507L98.5Very high97.2Very high0 Ų017 Ų170%010%0.099CC..Hα-helixtrans-65.5-48.5173.6-66.1176000111.9G503 Y504 L505 G509 L510 A511 A522 P525 T527 V556 F563 L570 L589G503-L507 WeakPolarHBondContact O-CG 3.41Å; G503-L507 PolarHBondContact O-N 2.79Å; G503-L507 VanDerWaalsContact O-N 3.08Å; Y504-L507 WeakPolarHBondContact O-CB 3.33Å; Y504-L507 PolarHBondContact O-N 3.43Å; Y504-L507 VanDerWaalsContact O-N 3.16Å; L505-L507 VanDerWaalsContact C-N 3.35Å; L507-G509 PolarHBondContact O-N 2.77Å; L507-L510 PolarHBondContact O-N 3.36Å; L507-A511 PolarHBondContact O-N 3.1Å; L507-A511 VanDerWaalsContact O-N 3.1Å; L507-A522 HydrophobicContact CD1-CB 4.31Å; L507-A522 HydrophobicContact CD2-CB 3.72Å; L507-A522 HydrophobicContact CG-CB 3.67Å; L507-P525 HydrophobicContact CD1-CB 3.6Å; L507-P525 HydrophobicContact CD1-CG 3.72Å; L507-P525 HydrophobicContact CG-CB 4.45Å; L507-T527 HydrophobicContact CD1-CG2 4.13Å; L507-V556 HydrophobicContact CB-CG1 3.99Å; L507-V556 HydrophobicContact CB-CG2 4.12Å; L507-V556 HydrophobicContact CD1-CG1 4.14Å; L507-V556 HydrophobicContact CD1-CG2 4.14Å; L507-F563 HydrophobicContact CB-CZ 4.09Å; L507-F563 HydrophobicContact CD2-CE1 3.96Å; L507-F563 HydrophobicContact CD2-CZ 4.08Å; L507-L570 HydrophobicContact CD2-CD1 3.58Å; L507-L570 HydrophobicContact CD2-CD2 4.3Å; L507-L589 HydrophobicContact CD1-CD2 3.66Å; L507-L589 HydrophobicContact CD2-CD2 4.21Å
508M98.2Very high97.3Very high3 Ų320.7 Ų20.72%0.01512%0.115CC..Hα-helixtrans-59.6-45.8179-67.8-59.8-89.300111.5V472 Y504 L505 A511 Q512 V556 L559V472-M508 HydrophobicContact CG2-CB 3.9Å; Y504-M508 HydrophobicContact CD2-CG 3.79Å; Y504-M508 HydrophobicContact CD2-SD 4.44Å; Y504-M508 HydrophobicContact CE1-CG 4.26Å; Y504-M508 HydrophobicContact CE2-CE 4.23Å; Y504-M508 HydrophobicContact CE2-CG 3.39Å; Y504-M508 HydrophobicContact CE2-SD 3.68Å; Y504-M508 HydrophobicContact CG-CG 4.41Å; Y504-M508 WeakPolarHBondContact O-CG 3.27Å; Y504-M508 PolarHBondContact O-N 2.75Å; L505-M508 PolarHBondContact O-N 3.06Å; M508-A511 PolarHBondContact O-N 3.06Å; M508-Q512 WeakPolarHBondContact O-CB 3.48Å; M508-Q512 VanDerWaalsContact O-CG 3.28Å; M508-Q512 WeakPolarHBondContact O-CG 3.31Å; M508-Q512 PolarHBondContact O-N 2.75Å; M508-V556 HydrophobicContact SD-CG2 4.07Å; M508-L559 HydrophobicContact CE-CD1 3.72Å; M508-L559 HydrophobicContact SD-CD1 3.58Å; M508-L559 VanDerWaalsContact SD-CD1 3.58Å
509G97.9Very high97.4Very high0 Ų020.5 Ų20.50%011%0.113CC..Hα-helixtrans-63.4-42.1177.700000113.3L505 L507 A511 Y513L505-G509 PolarHBondContact O-N 2.88Å; L507-G509 PolarHBondContact O-N 2.77Å; G509-A511 VanDerWaalsContact C-N 3.3Å; G509-A511 PolarHBondContact O-N 3.3Å; G509-Y513 CarbonylContact O-C 3.52Å; G509-Y513 WeakPolarHBondContact O-CA 3.4Å; G509-Y513 PolarHBondContact O-N 2.89Å
510L98.1Very high97.6Very high0 Ų020 Ų200%011%0.111CC..Hα-helixtrans-61.6-39.5176.2-175.261.7000112.3A506 L507 P514 A520 F563 P564 R569 L570A506-L510 WeakPolarHBondContact O-CB 3.41Å; A506-L510 PolarHBondContact O-N 3.17Å; L507-L510 PolarHBondContact O-N 3.36Å; L510-P514 WeakPolarHBondContact O-CB 3.41Å; L510-A520 HydrophobicContact CB-CB 3.77Å; L510-A520 HydrophobicContact CD1-CB 4.26Å; L510-A520 HydrophobicContact CD2-CB 3.88Å; L510-A520 HydrophobicContact CG-CB 4.18Å; L510-F563 HydrophobicContact CB-CE1 4.41Å; L510-F563 HydrophobicContact CD2-CD1 3.75Å; L510-F563 HydrophobicContact CD2-CE1 3.89Å; L510-F563 HydrophobicContact CG-CD1 4.2Å; L510-F563 HydrophobicContact CG-CE1 4.36Å; L510-P564 HydrophobicContact CD1-CG 3.9Å; L510-P564 HydrophobicContact CG-CG 4.21Å; L510-R569 WeakPolarHBondContact CD2-O 3.43Å; L510-L570 HydrophobicContact CD2-CB 3.81Å; L510-L570 HydrophobicContact CD2-CD1 3.95Å; L510-L570 HydrophobicContact CD2-CG 4.31Å
511A97.6Very high97.8Very high4 Ų419.7 Ų19.73%0.03311%0.109CC..Hα-helixtrans-79-38-177.800000112.9L507 M508 G509 L559 K562 F563L507-A511 PolarHBondContact O-N 3.1Å; L507-A511 VanDerWaalsContact O-N 3.1Å; M508-A511 PolarHBondContact O-N 3.06Å; G509-A511 VanDerWaalsContact C-N 3.3Å; G509-A511 PolarHBondContact O-N 3.3Å; A511-L559 HydrophobicContact CB-CB 3.82Å; A511-L559 HydrophobicContact CB-CD1 4.32Å; A511-K562 HydrophobicContact CB-CB 4.44Å; A511-K562 WeakPolarHBondContact O-CB 3.19Å; A511-F563 HydrophobicContact CB-CD2 3.73Å; A511-F563 HydrophobicContact CB-CE2 3.57Å; A511-F563 HydrophobicContact CB-CG 4.41Å; A511-F563 HydrophobicContact CB-CZ 4.1Å
512Q97Very high97.8Very high56 Ų5619.5 Ų19.526%0.26211%0.108SC..Hα-helixtrans-84.8-36.1-176.8-66.6175.64900113.1G468 M508 L559G468-Q512 PolarHBondContact O-NE2 2.82Å; M508-Q512 WeakPolarHBondContact O-CB 3.48Å; M508-Q512 VanDerWaalsContact O-CG 3.28Å; M508-Q512 WeakPolarHBondContact O-CG 3.31Å; M508-Q512 PolarHBondContact O-N 2.75Å; Q512-L559 HydrophobicContact CG-CD1 3.9Å
513Y97.6Very high97.9Very high72 Ų7219.5 Ų19.528%0.28211%0.108SC..  trans-128.957.3-176.1-58.7-91.2000112.1V472 V476 G509 S515 A516 F517V472-Y513 HydrophobicContact CB-CE2 4.32Å; V472-Y513 HydrophobicContact CG1-CD2 3.44Å; V472-Y513 VanDerWaalsContact CG1-CD2 3.44Å; V472-Y513 HydrophobicContact CG1-CE2 3.55Å; V476-Y513 HydrophobicContact CG1-CD1 4.43Å; V476-Y513 HydrophobicContact CG2-CD1 3.99Å; V476-Y513 HydrophobicContact CG2-CD2 4.04Å; V476-Y513 HydrophobicContact CG2-CE1 4.36Å; V476-Y513 HydrophobicContact CG2-CE2 4.42Å; V476-Y513 HydrophobicContact CG2-CG 3.82Å; G509-Y513 CarbonylContact O-C 3.52Å; G509-Y513 WeakPolarHBondContact O-CA 3.4Å; G509-Y513 PolarHBondContact O-N 2.89Å; Y513-S515 PolarHBondContact O-N 2.84Å; Y513-A516 PolarHBondContact O-N 2.87Å; Y513-F517 PolarHBondContact O-N 2.92Å
514P96.2Very high97.9Very high55 Ų5519.5 Ų19.536%0.35711%0.108SC..THydrogen-bonded Turntrans-63.1-15.2-178.126.8-36.1000114.2L510 P564L510-P514 WeakPolarHBondContact O-CB 3.41Å; P514-P564 HydrophobicContact CB-CG 4.18Å
515S95.7Very high97.9Very high111 Ų11119.5 Ų19.578%0.77611%0.108SC*.THydrogen-bonded Turntrans-84.2-25.5173.355.90000113.6Y513Y513-S515 PolarHBondContact O-N 2.84Å
516A97.3Very high97.8Very high19 Ų1919.7 Ų19.716%0.15711%0.109CC..THydrogen-bonded Turntrans-85.2-34179.200000111.9V476 V494 Y513V476-A516 HydrophobicContact CG1-CB 4.49Å; V476-A516 HydrophobicContact CG2-CB 4.29Å; V494-A516 WeakPolarHBondContact CB-O 3.28Å; Y513-A516 PolarHBondContact O-N 2.87Å
517F98.2Very high97.8Very high2 Ų219.9 Ų19.91%0.00911%0.11CC..  trans-111.2130.6179.8-54.2-65.2000108.9V413 V476 L479 V494 L496 Y513 R569V413-F517 HydrophobicContact CB-CE1 4.46Å; V413-F517 HydrophobicContact CG2-CE1 4.23Å; V476-F517 HydrophobicContact CG2-CE2 3.86Å; V476-F517 HydrophobicContact CG2-CZ 3.88Å; L479-F517 HydrophobicContact CD2-CE1 4.33Å; V494-F517 HydrophobicContact CG1-CD1 3.92Å; V494-F517 HydrophobicContact CG1-CE1 4.3Å; V494-F517 CarbonylContact O-C 3.59Å; L496-F517 HydrophobicContact CB-CB 4.3Å; L496-F517 HydrophobicContact CB-CD1 3.65Å; L496-F517 HydrophobicContact CB-CE1 4.07Å; L496-F517 HydrophobicContact CB-CG 3.88Å; L496-F517 HydrophobicContact CD1-CD1 4.45Å; L496-F517 HydrophobicContact CD1-CE1 3.99Å; L496-F517 HydrophobicContact CD1-CZ 4.23Å; L496-F517 HydrophobicContact CD2-CD1 4.32Å; L496-F517 HydrophobicContact CD2-CD2 3.97Å; L496-F517 HydrophobicContact CD2-CE1 4.21Å; L496-F517 HydrophobicContact CD2-CE2 3.87Å; L496-F517 HydrophobicContact CD2-CG 4.19Å; L496-F517 HydrophobicContact CD2-CZ 3.99Å; L496-F517 HydrophobicContact CG-CD1 4.36Å; L496-F517 HydrophobicContact CG-CE1 4.32Å; Y513-F517 PolarHBondContact O-N 2.92Å; F517-R569 PolarHBondContact O-NH1 3.31Å; F517-R569 PolarHBondContact O-NH2 3.2Å
518K98.3Very high97.7Very high85 Ų8520.3 Ų20.337%0.3711%0.113SC..SBendtrans-89.3-26.3177.7-178.764.6178.5-164.50113.2V494 R569 L633V494-K518 PolarHBondContact O-N 2.86Å; K518-R569 WeakPolarHBondContact O-CD 3.27Å; K518-R569 PolarHBondContact O-NE 3.15Å; K518-R569 PolarHBondContact O-NH1 2.8Å; K518-R569 PolarHBondContact O-NH2 2.89Å; K518-R569 VanDerWaalsContact O-NH2 3.13Å; K518-L633 HydrophobicContact CB-CD1 3.74Å; K518-L633 HydrophobicContact CG-CD1 3.84Å
519V98.6Very high97.7Very high1 Ų120.3 Ų20.31%0.00611%0.113CC..EExtended strand (participates in β ladder)trans-148.1157.5169.2-61.20000109.4V494 A495 L496 G568 R569 F628 L629 N632 L633V494-V519 PolarHBondContact O-N 2.95Å; A495-V519 WeakPolarHBondContact CA-O 3.12Å; A495-V519 HydrophobicContact CB-CG2 3.51Å; L496-V519 PolarHBondContact N-O 3.13Å; V519-G568 WeakPolarHBondContact CG1-O 2.85Å; V519-R569 WeakPolarHBondContact CA-O 3.14Å; V519-F628 HydrophobicContact CB-CE1 3.96Å; V519-F628 HydrophobicContact CG1-CE1 4.25Å; V519-F628 HydrophobicContact CG2-CE1 4.28Å; V519-L629 HydrophobicContact CG2-CD2 4.37Å; V519-N632 HydrophobicContact CG1-CB 3.81Å; V519-L633 HydrophobicContact CG2-CD1 4.31Å
520A98.7Very high97.6Very high0 Ų027.1 Ų27.10%014%0.139CC..EExtended strand (participates in β ladder)trans-127.6141.7166.300000112.4L496 A506 L510 R569 L570 L571L496-A520 CarbonylContact O-C 3.54Å; L496-A520 WeakPolarHBondContact O-CA 3.5Å; A506-A520 HydrophobicContact CB-CB 4.36Å; A506-A520 WeakPolarHBondContact O-CB 3.26Å; L510-A520 HydrophobicContact CB-CB 3.77Å; L510-A520 HydrophobicContact CD1-CB 4.26Å; L510-A520 HydrophobicContact CD2-CB 3.88Å; L510-A520 HydrophobicContact CG-CB 4.18Å; A520-R569 PolarHBondContact N-O 2.92Å; A520-L570 WeakPolarHBondContact O-CA 3.17Å; A520-L571 PolarHBondContact O-N 2.95Å
521I98.6Very high97.5Very high2 Ų230.5 Ų30.51%0.0115%0.153CC..EExtended strand (participates in β ladder)trans-120.3108.2176.7-56.5179.4000107.5L496 M497 G498 L571 L573 I625 F628 L629L496-I521 PolarHBondContact O-N 2.84Å; M497-I521 WeakPolarHBondContact CA-O 3.46Å; M497-I521 HydrophobicContact CB-CB 4.14Å; M497-I521 HydrophobicContact CG-CB 3.9Å; M497-I521 HydrophobicContact CG-CG2 4.15Å; M497-I521 HydrophobicContact SD-CB 4.31Å; M497-I521 HydrophobicContact SD-CD1 4.05Å; M497-I521 HydrophobicContact SD-CG2 4.3Å; G498-I521 PolarHBondContact N-O 3.44Å; I521-L571 WeakPolarHBondContact CA-O 3.49Å; I521-L571 HydrophobicContact CG1-CB 4.3Å; I521-L571 HydrophobicContact CG1-CD2 4.45Å; I521-L571 HydrophobicContact CG2-CD2 4.11Å; I521-L571 HydrophobicContact CG2-CG 4.4Å; I521-L573 HydrophobicContact CG2-CD1 3.93Å; I521-I625 HydrophobicContact CD1-CG2 3.89Å; I521-I625 HydrophobicContact CG2-CG1 4.23Å; I521-F628 HydrophobicContact CD1-CD1 3.91Å; I521-F628 HydrophobicContact CD1-CE1 4.47Å; I521-F628 HydrophobicContact CG1-CD1 3.93Å; I521-F628 HydrophobicContact CG1-CE1 4.04Å; I521-L629 HydrophobicContact CD1-CD1 4.49Å; I521-L629 HydrophobicContact CD1-CD2 3.94Å; I521-L629 HydrophobicContact CD1-CG 3.98Å
522A98.4Very high97.4Very high0 Ų031.5 Ų31.50%016%0.156CC..EExtended strand (participates in β ladder)trans-110.5109-173.500000111.1G503 A506 L507 P525 L571 I572 L573G503-A522 WeakPolarHBondContact O-CB 3.38Å; A506-A522 HydrophobicContact CB-CB 4.27Å; L507-A522 HydrophobicContact CD1-CB 4.31Å; L507-A522 HydrophobicContact CD2-CB 3.72Å; L507-A522 HydrophobicContact CG-CB 3.67Å; A522-P525 HydrophobicContact CB-CB 4.46Å; A522-P525 HydrophobicContact CB-CG 4.36Å; A522-L571 PolarHBondContact N-O 2.68Å; A522-I572 WeakPolarHBondContact O-CA 3.29Å; A522-L573 PolarHBondContact O-N 3.2Å
523G97.8Very high97.3Very high0 Ų032.3 Ų32.30%016%0.162CC..EExtended strand (participates in β ladder)trans-95.1133.8176.200000113.9G498 W499 S500 P525 L573G498-G523 PolarHBondContact O-N 2.71Å; W499-G523 CarbonylContact C-O 3.59Å; W499-G523 WeakPolarHBondContact CA-O 3.35Å; W499-G523 VanDerWaalsContact CD2-C 3.49Å; W499-G523 VanDerWaalsContact CD2-CA 3.45Å; S500-G523 PolarHBondContact N-O 2.76Å; G523-P525 VanDerWaalsContact C-CD 3.41Å; G523-P525 VanDerWaalsContact C-N 3.28Å; G523-L573 CarbonylContact C-O 3.36Å; G523-L573 WeakPolarHBondContact CA-O 3.24Å
524A97.7Very high97.1Very high0 Ų033.2 Ų33.20%018%0.176CC..SBendtrans3155.6-177.700000114.5W499 S500 L573W499-A524 HydrophobicContact CD2-CB 4.32Å; W499-A524 HydrophobicContact CG-CB 4.43Å; W499-A524 HydrophobicContact CZ2-CB 3.78Å; W499-A524 VanDerWaalsContact NE1-CB 3.33Å; S500-A524 WeakPolarHBondContact CA-O 3.35Å; A524-L573 PolarHBondContact N-O 3.18Å
525P97.9Very high96.7Very high0 Ų033 Ų330%018%0.178CC..  trans-78.3140.6-168.831.6-35.3000111.8L507 A522 G523 T527 H585L507-P525 HydrophobicContact CD1-CB 3.6Å; L507-P525 HydrophobicContact CD1-CG 3.72Å; L507-P525 HydrophobicContact CG-CB 4.45Å; A522-P525 HydrophobicContact CB-CB 4.46Å; A522-P525 HydrophobicContact CB-CG 4.36Å; G523-P525 VanDerWaalsContact C-CD 3.41Å; G523-P525 VanDerWaalsContact C-N 3.28Å; P525-T527 HydrophobicContact CB-CG2 4.48Å; P525-T527 HydrophobicContact CG-CG2 4.2Å; P525-T527 PolarHBondContact O-N 3.49Å; P525-H585 WeakPolarHBondContact O-CB 3.48Å
526V97.9Very high96.5Very high3 Ų328.9 Ų28.92%0.01815%0.146CC..  trans-70.2120.1160.7178.90000107.8Y504 W529 Y532 V581Y504-V526 WeakPolarHBondContact CB-O 3.32Å; Y504-V526 WeakPolarHBondContact CD2-O 3.19Å; V526-W529 HydrophobicContact CB-CH2 4.29Å; V526-W529 HydrophobicContact CB-CZ2 4.46Å; V526-W529 HydrophobicContact CB-CZ3 4.45Å; V526-W529 HydrophobicContact CG1-CD2 3.86Å; V526-W529 HydrophobicContact CG1-CE3 3.81Å; V526-W529 HydrophobicContact CG1-CG 4.45Å; V526-W529 HydrophobicContact CG1-CH2 4.1Å; V526-W529 HydrophobicContact CG1-CZ2 4.17Å; V526-W529 HydrophobicContact CG1-CZ3 3.92Å; V526-W529 HydrophobicContact CG2-CH2 4.32Å; V526-W529 HydrophobicContact CG2-CZ3 4.31Å; V526-Y532 HydrophobicContact CG2-CD2 4.18Å; V526-Y532 HydrophobicContact CG2-CE2 4.34Å; V526-Y532 HydrophobicContact CG2-CG 4.5Å; V526-V581 HydrophobicContact CG2-CG1 4.17Å; V526-V581 HydrophobicContact CG2-CG2 3.93Å
527T97.9Very high96.4Very high4 Ų428.1 Ų28.13%0.02514%0.14CC..  trans-106-18.5-178.360.20000113.7L507 P525 V556 H585 L589L507-T527 HydrophobicContact CD1-CG2 4.13Å; P525-T527 HydrophobicContact CB-CG2 4.48Å; P525-T527 HydrophobicContact CG-CG2 4.2Å; P525-T527 PolarHBondContact O-N 3.49Å; T527-V556 PolarHBondContact O-N 2.94Å; T527-H585 HydrophobicContact CG2-CB 4.1Å; T527-H585 WeakPolarHBondContact CG2-O 3.22Å; T527-H585 PolarHBondContact N-ND1 3.3Å; T527-H585 VanDerWaalsContact OG1-C 3.27Å; T527-H585 WeakPolarHBondContact OG1-CA 3.16Å; T527-H585 WeakPolarHBondContact OG1-CB 3.5Å; T527-H585 PolarHBondContact OG1-ND1 2.87Å; T527-H585 PolarHBondContact OG1-O 3.1Å; T527-L589 HydrophobicContact CG2-CB 3.9Å; T527-L589 HydrophobicContact CG2-CD2 3.81Å; T527-L589 HydrophobicContact CG2-CG 4.4Å
528D96.9Very high96.2Very high10 Ų1031.9 Ų31.95%0.05316%0.157CC..  trans-154.8115.3-179.8-173.2-29.6000108.5R530 F531 H585D528-R530 PolarHBondContact O-N 3.3Å; D528-R530 VanDerWaalsContact O-N 3.1Å; D528-R530 VanDerWaalsContact OD1-CB 3.3Å; D528-R530 WeakPolarHBondContact OD1-CB 3.48Å; D528-R530 WeakPolarHBondContact OD1-CG 3.35Å; D528-R530 IonicContact OD1-CZ 3.57Å; D528-R530 PolarHBondContact OD1-N 3.44Å; D528-R530 IonicContact OD1-NE 2.81Å; D528-R530 PolarHBondContact OD1-NE 2.96Å; D528-R530 IonicContact OD1-NH2 3.49Å; D528-R530 PolarHBondContact OD1-NH2 3.44Å; D528-R530 IonicContact OD2-CZ 3.26Å; D528-R530 VanDerWaalsContact OD2-CZ 3.26Å; D528-R530 IonicContact OD2-NE 3.18Å; D528-R530 PolarHBondContact OD2-NE 3.3Å; D528-R530 IonicContact OD2-NH2 2.66Å; D528-R530 PolarHBondContact OD2-NH2 3.36Å; D528-F531 HydrophobicContact CB-CD2 3.83Å; D528-F531 HydrophobicContact CB-CE2 3.82Å; D528-F531 HydrophobicContact CB-CG 4.41Å; D528-F531 HydrophobicContact CB-CZ 4.39Å; D528-F531 PolarHBondContact O-N 3.37Å; D528-F531 VanDerWaalsContact O-N 3.09Å; D528-H585 PolarHBondContact O-CE1 3.28Å
529W96.8Very high95.8Very high3 Ų332 Ų321%0.01116%0.155CC..G310 helixtrans-63.1-17.7-175.3-72.4103.9000113.7L467 Y501 Y504 V526 F531 Y532 Y536 T537 Y551 S554L467-W529 HydrophobicContact CB-CZ2 4.25Å; L467-W529 HydrophobicContact CD1-CD2 3.94Å; L467-W529 HydrophobicContact CD1-CE3 4.29Å; L467-W529 HydrophobicContact CD1-CH2 4.04Å; L467-W529 HydrophobicContact CD1-CZ2 3.63Å; L467-W529 HydrophobicContact CD1-CZ3 4.35Å; Y501-W529 AromaticContact CD2-CH2 3.73Å; Y501-W529 HydrophobicContact CD2-CH2 3.73Å; Y501-W529 HydrophobicContact CD2-CZ2 4.17Å; Y501-W529 AromaticContact CE2-CH2 3.49Å; Y501-W529 HydrophobicContact CE2-CH2 3.49Å; Y501-W529 VanDerWaalsContact CE2-CH2 3.49Å; Y501-W529 AromaticContact CE2-CZ2 3.63Å; Y501-W529 HydrophobicContact CE2-CZ2 3.63Å; Y504-W529 AromaticContact CD1-CZ2 3.88Å; Y504-W529 HydrophobicContact CD1-CZ2 3.88Å; Y504-W529 AromaticContact CE1-CZ2 3.76Å; Y504-W529 HydrophobicContact CE1-CZ2 3.76Å; Y504-W529 AromaticContact CE1-NE1 3.94Å; Y504-W529 AromaticContact CE2-NE1 3.94Å; Y504-W529 HydrophobicContact CG-CZ2 4.43Å; Y504-W529 AromaticContact CZ-NE1 3.5Å; Y504-W529 PolarHBondContact OH-NE1 2.97Å; V526-W529 HydrophobicContact CB-CH2 4.29Å; V526-W529 HydrophobicContact CB-CZ2 4.46Å; V526-W529 HydrophobicContact CB-CZ3 4.45Å; V526-W529 HydrophobicContact CG1-CD2 3.86Å; V526-W529 HydrophobicContact CG1-CE3 3.81Å; V526-W529 HydrophobicContact CG1-CG 4.45Å; V526-W529 HydrophobicContact CG1-CH2 4.1Å; V526-W529 HydrophobicContact CG1-CZ2 4.17Å; V526-W529 HydrophobicContact CG1-CZ3 3.92Å; V526-W529 HydrophobicContact CG2-CH2 4.32Å; V526-W529 HydrophobicContact CG2-CZ3 4.31Å; W529-F531 PolarHBondContact O-N 2.64Å; W529-Y532 HydrophobicContact CZ3-CD1 4.13Å; W529-Y532 PolarHBondContact O-N 2.88Å; W529-Y536 AromaticContact CH2-CE1 3.77Å; W529-Y536 HydrophobicContact CH2-CE1 3.77Å; W529-Y536 AromaticContact CZ3-CD1 3.83Å; W529-Y536 HydrophobicContact CZ3-CD1 3.83Å; W529-Y536 AromaticContact CZ3-CE1 3.47Å; W529-Y536 HydrophobicContact CZ3-CE1 3.47Å; W529-Y536 VanDerWaalsContact CZ3-CE1 3.47Å; W529-T537 HydrophobicContact CB-CG2 3.84Å; W529-T537 HydrophobicContact CE3-CG2 4.14Å; W529-T537 WeakPolarHBondContact O-CG2 3.17Å; W529-Y551 HydrophobicContact CB-CD1 3.86Å; W529-Y551 HydrophobicContact CB-CE1 3.94Å; W529-S554 VanDerWaalsContact CD1-O 3.27Å; W529-S554 PolarHBondContact NE1-O 2.69Å
530R95.5Very high95.5Very high143 Ų14332.3 Ų32.354%0.5416%0.156SC..G310 helixtrans-70-15.6175.4-64.2168.4-71.8-162.1-8.1113.8D528 Y551D528-R530 PolarHBondContact O-N 3.3Å; D528-R530 VanDerWaalsContact O-N 3.1Å; D528-R530 VanDerWaalsContact OD1-CB 3.3Å; D528-R530 WeakPolarHBondContact OD1-CB 3.48Å; D528-R530 WeakPolarHBondContact OD1-CG 3.35Å; D528-R530 IonicContact OD1-CZ 3.57Å; D528-R530 PolarHBondContact OD1-N 3.44Å; D528-R530 IonicContact OD1-NE 2.81Å; D528-R530 PolarHBondContact OD1-NE 2.96Å; D528-R530 IonicContact OD1-NH2 3.49Å; D528-R530 PolarHBondContact OD1-NH2 3.44Å; D528-R530 IonicContact OD2-CZ 3.26Å; D528-R530 VanDerWaalsContact OD2-CZ 3.26Å; D528-R530 IonicContact OD2-NE 3.18Å; D528-R530 PolarHBondContact OD2-NE 3.3Å; D528-R530 IonicContact OD2-NH2 2.66Å; D528-R530 PolarHBondContact OD2-NH2 3.36Å; R530-Y551 HydrophobicContact CG-CD1 3.77Å; R530-Y551 HydrophobicContact CG-CE1 4.29Å
531F95.9Very high95.2Very high70 Ų7032.5 Ų32.531%0.30716%0.157SC..G310 helixtrans-93-8.2177.7-57.5-26.5000113.3D528 W529 K584 H585 T588D528-F531 HydrophobicContact CB-CD2 3.83Å; D528-F531 HydrophobicContact CB-CE2 3.82Å; D528-F531 HydrophobicContact CB-CG 4.41Å; D528-F531 HydrophobicContact CB-CZ 4.39Å; D528-F531 PolarHBondContact O-N 3.37Å; D528-F531 VanDerWaalsContact O-N 3.09Å; W529-F531 PolarHBondContact O-N 2.64Å; F531-K584 HydrophobicContact CD2-CG 4.39Å; F531-K584 HydrophobicContact CE2-CG 4.38Å; F531-H585 AromaticContact CD2-ND1 3.82Å; F531-T588 HydrophobicContact CE2-CG2 4.25Å; F531-T588 HydrophobicContact CZ-CG2 4.48Å
532Y96.6Very high94.9Very high26 Ų2633.9 Ų33.910%0.10217%0.172CC..SBendtrans-95.3168.3-177.3-152-115.6000111.4V526 W529 Y536 N580 V581V526-Y532 HydrophobicContact CG2-CD2 4.18Å; V526-Y532 HydrophobicContact CG2-CE2 4.34Å; V526-Y532 HydrophobicContact CG2-CG 4.5Å; W529-Y532 HydrophobicContact CZ3-CD1 4.13Å; W529-Y532 PolarHBondContact O-N 2.88Å; Y532-Y536 AromaticContact CD1-CD1 3.83Å; Y532-Y536 HydrophobicContact CD1-CD1 3.83Å; Y532-Y536 HydrophobicContact CD1-CG 4.2Å; Y532-Y536 AromaticContact CE1-CD1 3.77Å; Y532-Y536 HydrophobicContact CE1-CD1 3.77Å; Y532-Y536 HydrophobicContact CE1-CE1 4.42Å; Y532-Y536 AromaticContact CE1-CG 3.83Å; Y532-Y536 HydrophobicContact CE1-CG 3.83Å; Y532-N580 WeakPolarHBondContact CE2-O 3.4Å; Y532-N580 PolarHBondContact OH-ND2 3.32Å; Y532-N580 PolarHBondContact OH-OD1 3.32Å; Y532-V581 HydrophobicContact CD2-CG2 4.27Å; Y532-V581 HydrophobicContact CE2-CB 4.46Å; Y532-V581 HydrophobicContact CE2-CG2 3.53Å
533D95.2Very high94.7Very high72 Ų7237.3 Ų37.339%0.38519%0.19SC..  trans-67.3159.6-171.375.861.4000113.9A535 Y536 T537D533-A535 PolarHBondContact OD1-N 3.31Å; D533-A535 VanDerWaalsContact OD1-N 3.1Å; D533-Y536 WeakPolarHBondContact OD1-CB 3.06Å; D533-Y536 PolarHBondContact OD1-N 3.22Å; D533-T537 WeakPolarHBondContact O-CB 3.34Å; D533-T537 PolarHBondContact O-N 2.67Å; D533-T537 VanDerWaalsContact O-N 3.13Å; D533-T537 PolarHBondContact O-OG1 2.98Å
534T92.7Very high94.6Very high92 Ų9239.1 Ų39.156%0.56420%0.201SC*.Hα-helixtrans-63.5-52.8-179.252.80000112.1Y536 T537 E538T534-Y536 VanDerWaalsContact C-N 3.3Å; T534-Y536 PolarHBondContact O-N 3.33Å; T534-T537 PolarHBondContact O-N 2.98Å; T534-E538 VanDerWaalsContact CB-OE1 3.23Å; T534-E538 WeakPolarHBondContact CB-OE1 3.14Å; T534-E538 VanDerWaalsContact CG2-OE1 3.27Å; T534-E538 WeakPolarHBondContact CG2-OE1 3.28Å; T534-E538 VanDerWaalsContact O-CB 3.23Å; T534-E538 WeakPolarHBondContact O-CB 3.47Å; T534-E538 WeakPolarHBondContact O-CG 3.48Å; T534-E538 PolarHBondContact O-N 2.92Å
535A89.1Confident94.4Very high50 Ų5045.1 Ų45.141%0.41323%0.23SC..Hα-helixtrans-63.9-31.2-169.300000114D533 R539D533-A535 PolarHBondContact OD1-N 3.31Å; D533-A535 VanDerWaalsContact OD1-N 3.1Å; A535-R539 WeakPolarHBondContact O-CB 3.34Å; A535-R539 PolarHBondContact O-NE 2.99Å; A535-R539 PolarHBondContact O-NH2 3.47Å
536Y91.3Very high94.2Very high25 Ų2551.6 Ų51.610%0.09826%0.264CS..Hα-helixtrans-82.4-52.8172.9-174-85.2000110.7P419 Y501 W529 Y532 D533 T534 R539 Y540P419-Y536 VanDerWaalsContact CD-OH 3.29Å; P419-Y536 WeakPolarHBondContact CD-OH 3.41Å; P419-Y536 HydrophobicContact CG-CE2 4.37Å; P419-Y536 VanDerWaalsContact CG-OH 3.32Å; P419-Y536 WeakPolarHBondContact CG-OH 3.14Å; Y501-Y536 VanDerWaalsContact CD2-OH 3.23Å; Y501-Y536 WeakPolarHBondContact CD2-OH 2.95Å; Y501-Y536 WeakPolarHBondContact CE2-OH 3.29Å; W529-Y536 AromaticContact CH2-CE1 3.77Å; W529-Y536 HydrophobicContact CH2-CE1 3.77Å; W529-Y536 AromaticContact CZ3-CD1 3.83Å; W529-Y536 HydrophobicContact CZ3-CD1 3.83Å; W529-Y536 AromaticContact CZ3-CE1 3.47Å; W529-Y536 HydrophobicContact CZ3-CE1 3.47Å; W529-Y536 VanDerWaalsContact CZ3-CE1 3.47Å; Y532-Y536 AromaticContact CD1-CD1 3.83Å; Y532-Y536 HydrophobicContact CD1-CD1 3.83Å; Y532-Y536 HydrophobicContact CD1-CG 4.2Å; Y532-Y536 AromaticContact CE1-CD1 3.77Å; Y532-Y536 HydrophobicContact CE1-CD1 3.77Å; Y532-Y536 HydrophobicContact CE1-CE1 4.42Å; Y532-Y536 AromaticContact CE1-CG 3.83Å; Y532-Y536 HydrophobicContact CE1-CG 3.83Å; D533-Y536 WeakPolarHBondContact OD1-CB 3.06Å; D533-Y536 PolarHBondContact OD1-N 3.22Å; T534-Y536 VanDerWaalsContact C-N 3.3Å; T534-Y536 PolarHBondContact O-N 3.33Å; Y536-R539 WeakPolarHBondContact O-CB 3.15Å; Y536-R539 PolarHBondContact O-N 2.81Å; Y536-Y540 HydrophobicContact CD1-CD2 4.41Å; Y536-Y540 HydrophobicContact CD2-CE2 4.29Å; Y536-Y540 HydrophobicContact CE1-CD2 4.21Å; Y536-Y540 HydrophobicContact CE2-CE2 4.06Å; Y536-Y540 VanDerWaalsContact O-CD2 3.27Å; Y536-Y540 WeakPolarHBondContact O-CD2 3.5Å
537T93.7Very high93.9Very high3 Ų354 Ų542%0.01828%0.277CS..Hα-helixtrans-69.3-48.9-169.6-480000111.6W529 D533 T534 R539 Y540 M541 Y551W529-T537 HydrophobicContact CB-CG2 3.84Å; W529-T537 HydrophobicContact CE3-CG2 4.14Å; W529-T537 WeakPolarHBondContact O-CG2 3.17Å; D533-T537 WeakPolarHBondContact O-CB 3.34Å; D533-T537 PolarHBondContact O-N 2.67Å; D533-T537 VanDerWaalsContact O-N 3.13Å; D533-T537 PolarHBondContact O-OG1 2.98Å; T534-T537 PolarHBondContact O-N 2.98Å; T537-R539 PolarHBondContact O-N 2.58Å; T537-Y540 PolarHBondContact O-N 2.98Å; T537-Y540 VanDerWaalsContact O-N 3.16Å; T537-M541 HydrophobicContact CG2-CB 4.34Å; T537-M541 HydrophobicContact CG2-CG 4.41Å; T537-M541 WeakPolarHBondContact O-CB 3.43Å; T537-M541 PolarHBondContact O-N 3.47Å; T537-Y551 HydrophobicContact CG2-CE1 3.64Å; T537-Y551 WeakPolarHBondContact CG2-OH 3.24Å
538E94.1Very high93.7Very high80 Ų8060.6 Ų60.637%0.37431%0.308SS..Hα-helixtrans-64.7-28-179.2-63.3172.4-160.600112.1T534 Y540 G542 L543T534-E538 VanDerWaalsContact CB-OE1 3.23Å; T534-E538 WeakPolarHBondContact CB-OE1 3.14Å; T534-E538 VanDerWaalsContact CG2-OE1 3.27Å; T534-E538 WeakPolarHBondContact CG2-OE1 3.28Å; T534-E538 VanDerWaalsContact O-CB 3.23Å; T534-E538 WeakPolarHBondContact O-CB 3.47Å; T534-E538 WeakPolarHBondContact O-CG 3.48Å; T534-E538 PolarHBondContact O-N 2.92Å; E538-Y540 VanDerWaalsContact C-N 3.34Å; E538-Y540 PolarHBondContact O-N 2.73Å; E538-G542 WeakPolarHBondContact O-CA 3.41Å; E538-G542 PolarHBondContact O-N 3.45Å; E538-L543 HydrophobicContact CG-CD2 4.03Å
539R90.2Very high93.6Very high89 Ų8967.3 Ų67.334%0.33634%0.339SS..Hα-helixtrans-60.7-42.9175.6-171.6-171.8-55.9-1751.3112I154 A535 Y536 T537I154-R539 HydrophobicContact CB-CG 4.32Å; I154-R539 HydrophobicContact CD1-CG 4.21Å; I154-R539 VanDerWaalsContact CD1-O 3.23Å; I154-R539 WeakPolarHBondContact CD1-O 3.35Å; I154-R539 HydrophobicContact CG1-CG 4.18Å; I154-R539 VanDerWaalsContact CG1-O 3.24Å; I154-R539 WeakPolarHBondContact CG1-O 3.32Å; I154-R539 HydrophobicContact CG2-CG 3.36Å; A535-R539 WeakPolarHBondContact O-CB 3.34Å; A535-R539 PolarHBondContact O-NE 2.99Å; A535-R539 PolarHBondContact O-NH2 3.47Å; Y536-R539 WeakPolarHBondContact O-CB 3.15Å; Y536-R539 PolarHBondContact O-N 2.81Å; T537-R539 PolarHBondContact O-N 2.58Å
540Y91.6Very high93.5Very high7 Ų767.4 Ų67.43%0.02734%0.34CS..Hα-helixtrans-100.2-27.2-176-61.6-73.3000113.4I154 P419 E460 S464 G465 Y536 T537 E538I154-Y540 HydrophobicContact CD1-CD1 3.43Å; I154-Y540 VanDerWaalsContact CD1-CD1 3.43Å; I154-Y540 HydrophobicContact CD1-CE1 3.58Å; I154-Y540 HydrophobicContact CD1-CG 4.33Å; P419-Y540 HydrophobicContact CB-CD1 4.26Å; P419-Y540 HydrophobicContact CB-CE1 3.48Å; P419-Y540 VanDerWaalsContact CB-CE1 3.48Å; P419-Y540 HydrophobicContact CB-CE2 3.99Å; P419-Y540 WeakPolarHBondContact CB-OH 3.12Å; P419-Y540 HydrophobicContact CG-CD1 4.11Å; P419-Y540 HydrophobicContact CG-CD2 3.89Å; P419-Y540 HydrophobicContact CG-CE1 3.71Å; P419-Y540 HydrophobicContact CG-CE2 3.47Å; P419-Y540 VanDerWaalsContact CG-CE2 3.47Å; P419-Y540 HydrophobicContact CG-CG 4.22Å; E460-Y540 PolarHBondContact OE1-OH 3.32Å; S464-Y540 CarbonylContact C-O 3.43Å; S464-Y540 WeakPolarHBondContact CA-O 3.38Å; G465-Y540 PolarHBondContact N-O 2.72Å; Y536-Y540 HydrophobicContact CD1-CD2 4.41Å; Y536-Y540 HydrophobicContact CD2-CE2 4.29Å; Y536-Y540 HydrophobicContact CE1-CD2 4.21Å; Y536-Y540 HydrophobicContact CE2-CE2 4.06Å; Y536-Y540 VanDerWaalsContact O-CD2 3.27Å; Y536-Y540 WeakPolarHBondContact O-CD2 3.5Å; T537-Y540 PolarHBondContact O-N 2.98Å; T537-Y540 VanDerWaalsContact O-N 3.16Å; E538-Y540 VanDerWaalsContact C-N 3.34Å; E538-Y540 PolarHBondContact O-N 2.73Å
541M93.8Very high93.5Very high3 Ų361 Ų612%0.01532%0.316CS..Hα-helixtrans-113-11.1-174.3-62.9-63.9-77.700113.8L467 T537 N547 A550 Y551 S554L467-M541 HydrophobicContact CB-SD 4.2Å; L467-M541 HydrophobicContact CD1-CG 3.57Å; L467-M541 HydrophobicContact CD1-SD 3.74Å; L467-M541 HydrophobicContact CG-CG 4.1Å; L467-M541 HydrophobicContact CG-SD 3.56Å; L467-M541 VanDerWaalsContact CG-SD 3.56Å; T537-M541 HydrophobicContact CG2-CB 4.34Å; T537-M541 HydrophobicContact CG2-CG 4.41Å; T537-M541 WeakPolarHBondContact O-CB 3.43Å; T537-M541 PolarHBondContact O-N 3.47Å; M541-N547 WeakPolarHBondContact O-CB 3.47Å; M541-N547 PolarHBondContact O-ND2 2.94Å; M541-A550 VanDerWaalsContact CE-C 3.42Å; M541-A550 HydrophobicContact CE-CB 3.69Å; M541-A550 VanDerWaalsContact CE-O 3.25Å; M541-A550 WeakPolarHBondContact CE-O 3.43Å; M541-Y551 HydrophobicContact CB-CD2 4.34Å; M541-Y551 HydrophobicContact CB-CE2 3.67Å; M541-S554 WeakPolarHBondContact CE-OG 3.4Å
542G92.8Very high93.5Very high31 Ų3158.7 Ų58.732%0.3231%0.312SS..  trans68.7-172.3-169.700000112.4E538 Y551E538-G542 WeakPolarHBondContact O-CA 3.41Å; E538-G542 PolarHBondContact O-N 3.45Å; G542-Y551 WeakPolarHBondContact O-CE2 3.42Å; G542-Y551 PolarHBondContact O-OH 3.04Å
543L94.2Very high93.4Very high73 Ų7362.6 Ų62.638%0.38233%0.332SS..  trans-70.3137.9177.3-72.8172.4000111.4E538 E545 N546 N547E538-L543 HydrophobicContact CG-CD2 4.03Å; L543-E545 WeakPolarHBondContact CB-OE2 3.28Å; L543-E545 PolarHBondContact O-N 3.44Å; L543-N546 PolarHBondContact O-N 2.87Å; L543-N546 VanDerWaalsContact O-N 3.07Å; L543-N547 PolarHBondContact O-N 2.85Å
544P93.9Very high93.4Very high37 Ų3759.3 Ų59.324%0.2431%0.314CS..G310 helixtrans-54.2-37179.2-23.931.7000113.7N546 N547 Q548 Y551P544-N546 PolarHBondContact O-N 2.93Å; P544-N547 PolarHBondContact O-N 3.1Å; P544-Q548 WeakPolarHBondContact O-CG 3.34Å; P544-Q548 PolarHBondContact O-N 3.1Å; P544-Y551 HydrophobicContact CB-CD2 4.37Å; P544-Y551 HydrophobicContact CB-CE1 4.39Å; P544-Y551 HydrophobicContact CB-CE2 4.17Å; P544-Y551 HydrophobicContact CG-CE1 3.93Å; P544-Y551 HydrophobicContact CG-CE2 4.11Å
545E93.9Very high93.6Very high127 Ų12755 Ų5559%0.59329%0.287SS*.G310 helixtrans-65-31.8-178-56.472.7-152.800111.9L543L543-E545 WeakPolarHBondContact CB-OE2 3.28Å; L543-E545 PolarHBondContact O-N 3.44Å
546N93.7Very high93.9Very high135 Ų13552.6 Ų52.672%0.72227%0.268SS*.G310 helixtrans-92.7-12.9-177.4-64.9-26.6000113L543 P544L543-N546 PolarHBondContact O-N 2.87Å; L543-N546 VanDerWaalsContact O-N 3.07Å; P544-N546 PolarHBondContact O-N 2.93Å
547N92.5Very high93.7Very high54 Ų5453.9 Ų53.929%0.28928%0.28SS..  trans-141.438.5-171.8-15410.6000113.8M541 L543 P544 E549 A550 Y551M541-N547 WeakPolarHBondContact O-CB 3.47Å; M541-N547 PolarHBondContact O-ND2 2.94Å; L543-N547 PolarHBondContact O-N 2.85Å; P544-N547 PolarHBondContact O-N 3.1Å; N547-E549 VanDerWaalsContact C-N 3.27Å; N547-E549 PolarHBondContact O-N 2.77Å; N547-A550 HydrophobicContact CB-CB 4.42Å; N547-A550 VanDerWaalsContact ND2-CB 3.29Å; N547-A550 WeakPolarHBondContact ND2-CB 3.31Å; N547-A550 PolarHBondContact O-N 3.01Å; N547-A550 VanDerWaalsContact O-N 3.12Å; N547-A550 WeakPolarHBondContact OD1-CB 3.43Å; N547-Y551 HydrophobicContact CB-CD2 4.37Å; N547-Y551 WeakPolarHBondContact O-CD2 3.46Å; N547-Y551 PolarHBondContact O-N 2.78Å; N547-Y551 VanDerWaalsContact O-N 3.11Å
548Q94.2Very high93.5Very high143 Ų14359.3 Ų59.367%0.66831%0.305SS*.Hα-helixtrans-54.5-39.6-173.7-62.8-179.116.900113.7P544 Y551 G552P544-Q548 WeakPolarHBondContact O-CG 3.34Å; P544-Q548 PolarHBondContact O-N 3.1Å; Q548-Y551 PolarHBondContact O-N 2.82Å; Q548-G552 PolarHBondContact O-N 2.82Å
549E94.4Very high93.5Very high151 Ų15156 Ų5671%0.70629%0.29SS*.Hα-helixtrans-61.2-49.5177.9-175.3173.5-160.900111N547 Y551 G552 E553N547-E549 VanDerWaalsContact C-N 3.27Å; N547-E549 PolarHBondContact O-N 2.77Å; E549-Y551 PolarHBondContact O-N 2.76Å; E549-G552 CarbonylContact O-C 3.58Å; E549-G552 WeakPolarHBondContact O-CA 3.13Å; E549-G552 PolarHBondContact O-N 3.27Å; E549-E553 HydrophobicContact CG-CG 4.43Å; E549-E553 WeakPolarHBondContact O-CG 3.48Å; E549-E553 PolarHBondContact O-N 2.76Å
550A94.4Very high93.8Very high5 Ų552.1 Ų52.14%0.04128%0.276CS..Hα-helixtrans-60.7-42.9177.600000112.3G465 M541 N547 G552 E553 S554G465-A550 VanDerWaalsContact O-CB 3.23Å; G465-A550 WeakPolarHBondContact O-CB 3.42Å; M541-A550 VanDerWaalsContact CE-C 3.42Å; M541-A550 HydrophobicContact CE-CB 3.69Å; M541-A550 VanDerWaalsContact CE-O 3.25Å; M541-A550 WeakPolarHBondContact CE-O 3.43Å; N547-A550 HydrophobicContact CB-CB 4.42Å; N547-A550 VanDerWaalsContact ND2-CB 3.29Å; N547-A550 WeakPolarHBondContact ND2-CB 3.31Å; N547-A550 PolarHBondContact O-N 3.01Å; N547-A550 VanDerWaalsContact O-N 3.12Å; N547-A550 WeakPolarHBondContact OD1-CB 3.43Å; A550-G552 VanDerWaalsContact C-N 3.27Å; A550-G552 PolarHBondContact O-N 2.73Å; A550-E553 PolarHBondContact O-N 2.98Å; A550-S554 VanDerWaalsContact O-CB 3.26Å; A550-S554 WeakPolarHBondContact O-CB 3.07Å; A550-S554 PolarHBondContact O-N 3.21Å; A550-S554 PolarHBondContact O-OG 3.06Å
551Y96.2Very high94Very high7 Ų756.7 Ų56.73%0.02731%0.305CS..Hα-helixtrans-61.2-37.7174.8-86.1-96.8000111.8W529 R530 T537 M541 G542 P544 N547 Q548 E549 S555W529-Y551 HydrophobicContact CB-CD1 3.86Å; W529-Y551 HydrophobicContact CB-CE1 3.94Å; R530-Y551 HydrophobicContact CG-CD1 3.77Å; R530-Y551 HydrophobicContact CG-CE1 4.29Å; T537-Y551 HydrophobicContact CG2-CE1 3.64Å; T537-Y551 WeakPolarHBondContact CG2-OH 3.24Å; M541-Y551 HydrophobicContact CB-CD2 4.34Å; M541-Y551 HydrophobicContact CB-CE2 3.67Å; G542-Y551 WeakPolarHBondContact O-CE2 3.42Å; G542-Y551 PolarHBondContact O-OH 3.04Å; P544-Y551 HydrophobicContact CB-CD2 4.37Å; P544-Y551 HydrophobicContact CB-CE1 4.39Å; P544-Y551 HydrophobicContact CB-CE2 4.17Å; P544-Y551 HydrophobicContact CG-CE1 3.93Å; P544-Y551 HydrophobicContact CG-CE2 4.11Å; N547-Y551 HydrophobicContact CB-CD2 4.37Å; N547-Y551 WeakPolarHBondContact O-CD2 3.46Å; N547-Y551 PolarHBondContact O-N 2.78Å; N547-Y551 VanDerWaalsContact O-N 3.11Å; Q548-Y551 PolarHBondContact O-N 2.82Å; E549-Y551 PolarHBondContact O-N 2.76Å; Y551-S555 WeakPolarHBondContact O-CB 3.26Å; Y551-S555 PolarHBondContact O-N 2.82Å; Y551-S555 PolarHBondContact O-OG 2.89Å
552G95.1Very high94.1Very high23 Ų2362.2 Ų62.224%0.23733%0.329CS..Hα-helixtrans-64.6-52.3174.200000112.7Q548 E549 A550 S554 S555 H558Q548-G552 PolarHBondContact O-N 2.82Å; E549-G552 CarbonylContact O-C 3.58Å; E549-G552 WeakPolarHBondContact O-CA 3.13Å; E549-G552 PolarHBondContact O-N 3.27Å; A550-G552 VanDerWaalsContact C-N 3.27Å; A550-G552 PolarHBondContact O-N 2.73Å; G552-S554 VanDerWaalsContact C-N 3.3Å; G552-S554 PolarHBondContact O-N 3.35Å; G552-S555 WeakPolarHBondContact O-CB 3.23Å; G552-S555 PolarHBondContact O-N 2.84Å; G552-S555 VanDerWaalsContact O-N 3.08Å; G552-H558 VanDerWaalsContact O-CB 3.24Å; G552-H558 WeakPolarHBondContact O-CB 3.47Å
553E94.1Very high94.3Very high108 Ų10861 Ų6151%0.50532%0.315SS..Hα-helixtrans-64.1-32.5-179.4-68.4-170.8149.200113.1E549 A550 S555E549-E553 HydrophobicContact CG-CG 4.43Å; E549-E553 WeakPolarHBondContact O-CG 3.48Å; E549-E553 PolarHBondContact O-N 2.76Å; A550-E553 PolarHBondContact O-N 2.98Å; E553-S555 VanDerWaalsContact C-N 3.35Å
554S96.2Very high94.5Very high2 Ų258.8 Ų58.81%0.01431%0.305CS..THydrogen-bonded Turntrans-85.7-0.2174.9-65.70000113.8L467 Y504 W529 M541 A550 G552L467-S554 PolarHBondContact N-OG 2.68Å; L467-S554 WeakPolarHBondContact O-CB 3.47Å; L467-S554 PolarHBondContact O-OG 3.16Å; Y504-S554 WeakPolarHBondContact CE2-O 3.48Å; Y504-S554 PolarHBondContact OH-O 3.14Å; W529-S554 VanDerWaalsContact CD1-O 3.27Å; W529-S554 PolarHBondContact NE1-O 2.69Å; M541-S554 WeakPolarHBondContact CE-OG 3.4Å; A550-S554 VanDerWaalsContact O-CB 3.26Å; A550-S554 WeakPolarHBondContact O-CB 3.07Å; A550-S554 PolarHBondContact O-N 3.21Å; A550-S554 PolarHBondContact O-OG 3.06Å; G552-S554 VanDerWaalsContact C-N 3.3Å; G552-S554 PolarHBondContact O-N 3.35Å
555S96Very high94.6Very high1 Ų161.4 Ų61.41%0.00732%0.324CS..  trans-87.8129.4174.9-68.10000110.8Y551 G552 E553 S557 H558Y551-S555 WeakPolarHBondContact O-CB 3.26Å; Y551-S555 PolarHBondContact O-N 2.82Å; Y551-S555 PolarHBondContact O-OG 2.89Å; G552-S555 WeakPolarHBondContact O-CB 3.23Å; G552-S555 PolarHBondContact O-N 2.84Å; G552-S555 VanDerWaalsContact O-N 3.08Å; E553-S555 VanDerWaalsContact C-N 3.35Å; S555-S557 WeakPolarHBondContact CB-OG 3.33Å; S555-S557 PolarHBondContact O-N 2.9Å; S555-H558 WeakPolarHBondContact O-CB 3.48Å; S555-H558 PolarHBondContact O-N 3.16Å; S555-H558 VanDerWaalsContact O-N 3.08Å
556V96.6Very high94.7Very high0 Ų061.2 Ų61.20%033%0.325CS..G310 helixtrans-60.4-33.8176.6-178.90000110.9Y504 L507 M508 T527 H558 L559 V560 F563 L589Y504-V556 HydrophobicContact CD2-CG2 3.72Å; Y504-V556 HydrophobicContact CE2-CG2 3.88Å; L507-V556 HydrophobicContact CB-CG1 3.99Å; L507-V556 HydrophobicContact CB-CG2 4.12Å; L507-V556 HydrophobicContact CD1-CG1 4.14Å; L507-V556 HydrophobicContact CD1-CG2 4.14Å; M508-V556 HydrophobicContact SD-CG2 4.07Å; T527-V556 PolarHBondContact O-N 2.94Å; V556-H558 PolarHBondContact O-N 2.46Å; V556-L559 PolarHBondContact O-N 2.76Å; V556-V560 PolarHBondContact O-N 2.99Å; V556-F563 HydrophobicContact CG1-CE2 3.92Å; V556-F563 HydrophobicContact CG1-CZ 3.83Å; V556-L589 HydrophobicContact CG1-CD1 3.81Å
557S85.8Confident94.8Very high52 Ų5258.4 Ų58.436%0.36432%0.32SS..G310 helixtrans-54.3-33.7176.754.80000113S555 L559 V560S555-S557 WeakPolarHBondContact CB-OG 3.33Å; S555-S557 PolarHBondContact O-N 2.9Å; S557-L559 PolarHBondContact O-N 3.22Å; S557-V560 PolarHBondContact O-N 2.85Å
558H90Very high95.1Very high118 Ų11856.6 Ų56.655%0.54631%0.314SS..G310 helixtrans-68.2-21.3177.2-171.378.1000113G552 S555 V556G552-H558 VanDerWaalsContact O-CB 3.24Å; G552-H558 WeakPolarHBondContact O-CB 3.47Å; S555-H558 WeakPolarHBondContact O-CB 3.48Å; S555-H558 PolarHBondContact O-N 3.16Å; S555-H558 VanDerWaalsContact O-N 3.08Å; V556-H558 PolarHBondContact O-N 2.46Å
559L94.1Very high95.3Very high11 Ų1151 Ų516%0.05829%0.287CS..G310 helixtrans-1061.3-177-57.2-179.8000113.7M508 A511 Q512 V556 S557 T561 K562 F563M508-L559 HydrophobicContact CE-CD1 3.72Å; M508-L559 HydrophobicContact SD-CD1 3.58Å; M508-L559 VanDerWaalsContact SD-CD1 3.58Å; A511-L559 HydrophobicContact CB-CB 3.82Å; A511-L559 HydrophobicContact CB-CD1 4.32Å; Q512-L559 HydrophobicContact CG-CD1 3.9Å; V556-L559 PolarHBondContact O-N 2.76Å; S557-L559 PolarHBondContact O-N 3.22Å; L559-T561 VanDerWaalsContact C-N 3.25Å; L559-T561 PolarHBondContact O-N 2.8Å; L559-T561 VanDerWaalsContact O-N 3.16Å; L559-K562 HydrophobicContact CD2-CD 4.03Å; L559-K562 WeakPolarHBondContact O-CA 3.39Å; L559-K562 WeakPolarHBondContact O-CB 3.4Å; L559-K562 PolarHBondContact O-N 3.03Å; L559-F563 WeakPolarHBondContact O-CD2 3.46Å
560V95.4Very high95.5Very high6 Ų644 Ų444%0.03625%0.254CS..G310 helixtrans-53.9-39.9-174.6166.60000112.7V556 S557 K562 F563 L589 A592 L593 A596V556-V560 PolarHBondContact O-N 2.99Å; S557-V560 PolarHBondContact O-N 2.85Å; V560-K562 PolarHBondContact O-N 3.36Å; V560-F563 WeakPolarHBondContact O-CB 3.46Å; V560-F563 PolarHBondContact O-N 2.98Å; V560-F563 VanDerWaalsContact O-N 3.15Å; V560-L589 HydrophobicContact CG2-CD1 3.96Å; V560-A592 HydrophobicContact CG1-CB 4.28Å; V560-A592 WeakPolarHBondContact CG1-O 3.45Å; V560-A592 HydrophobicContact CG2-CB 3.92Å; V560-L593 HydrophobicContact CG1-CD2 4.13Å; V560-A596 HydrophobicContact CG1-CB 3.52Å
561T95.7Very high95.7Very high103 Ų10344 Ų4463%0.63225%0.254SS*.G310 helixtrans-64-24178.356.40000113.3L559 K598L559-T561 VanDerWaalsContact C-N 3.25Å; L559-T561 PolarHBondContact O-N 2.8Å; L559-T561 VanDerWaalsContact O-N 3.16Å; T561-K598 VanDerWaalsContact O-CE 3.25Å; T561-K598 WeakPolarHBondContact O-CE 3.27Å; T561-K598 PolarHBondContact O-NZ 3.38Å
562K96.6Very high95.8Very high120 Ų12043.7 Ų43.752%0.52225%0.253SS..G310 helixtrans-84.9-10.5178.8-58-176.6-178.21720113.7A511 L559 V560A511-K562 HydrophobicContact CB-CB 4.44Å; A511-K562 WeakPolarHBondContact O-CB 3.19Å; L559-K562 HydrophobicContact CD2-CD 4.03Å; L559-K562 WeakPolarHBondContact O-CA 3.39Å; L559-K562 WeakPolarHBondContact O-CB 3.4Å; L559-K562 PolarHBondContact O-N 3.03Å; V560-K562 PolarHBondContact O-N 3.36Å
563F97.5Very high95.9Very high6 Ų642.7 Ų42.73%0.02624%0.242CC..SBendtrans-60.9149.2174.5-82.4-106.4000111.1L507 L510 A511 V556 L559 V560 L570 L593 K598L507-F563 HydrophobicContact CB-CZ 4.09Å; L507-F563 HydrophobicContact CD2-CE1 3.96Å; L507-F563 HydrophobicContact CD2-CZ 4.08Å; L510-F563 HydrophobicContact CB-CE1 4.41Å; L510-F563 HydrophobicContact CD2-CD1 3.75Å; L510-F563 HydrophobicContact CD2-CE1 3.89Å; L510-F563 HydrophobicContact CG-CD1 4.2Å; L510-F563 HydrophobicContact CG-CE1 4.36Å; A511-F563 HydrophobicContact CB-CD2 3.73Å; A511-F563 HydrophobicContact CB-CE2 3.57Å; A511-F563 HydrophobicContact CB-CG 4.41Å; A511-F563 HydrophobicContact CB-CZ 4.1Å; V556-F563 HydrophobicContact CG1-CE2 3.92Å; V556-F563 HydrophobicContact CG1-CZ 3.83Å; L559-F563 WeakPolarHBondContact O-CD2 3.46Å; V560-F563 WeakPolarHBondContact O-CB 3.46Å; V560-F563 PolarHBondContact O-N 2.98Å; V560-F563 VanDerWaalsContact O-N 3.15Å; F563-L570 HydrophobicContact CD1-CD2 3.94Å; F563-L570 HydrophobicContact CE1-CD2 3.82Å; F563-L593 HydrophobicContact CG-CD2 4.33Å; F563-K598 HydrophobicContact CB-CD 4.33Å; F563-K598 HydrophobicContact CB-CG 4.32Å; F563-K598 WeakPolarHBondContact O-CD 3.5Å; F563-K598 WeakPolarHBondContact O-CE 3.34Å; F563-K598 PolarHBondContact O-NZ 2.88Å
564P97.2Very high96.1Very high25 Ų2537.5 Ų37.516%0.16222%0.218CC..  trans-58.4140.4176.3-24.734.6000112.5L510 P514 M566 R569L510-P564 HydrophobicContact CD1-CG 3.9Å; L510-P564 HydrophobicContact CG-CG 4.21Å; P514-P564 HydrophobicContact CB-CG 4.18Å; P564-M566 VanDerWaalsContact C-N 3.28Å; P564-R569 HydrophobicContact CB-CB 4.11Å; P564-R569 HydrophobicContact CB-CG 3.89Å; P564-R569 HydrophobicContact CG-CB 4.31Å; P564-R569 HydrophobicContact CG-CG 4.39Å
565S97Very high96.2Very high92 Ų9237.4 Ų37.464%0.64322%0.217SC*.SBendtrans-850.9174.6-56.10000113.6K598S565-K598 PolarHBondContact OG-NZ 3.28Å; S565-K598 VanDerWaalsContact OG-NZ 3.12Å
566M96.1Very high96.2Very high124 Ų12441.8 Ų41.861%0.61124%0.238SC*.SBendtrans-91.4134.7178.9-177.8-178.9-71.800110.2P564 R569 P599P564-M566 VanDerWaalsContact C-N 3.28Å; M566-R569 HydrophobicContact CB-CG 4.02Å; M566-R569 HydrophobicContact CG-CG 4.38Å; M566-R569 WeakPolarHBondContact O-CB 3.48Å; M566-R569 WeakPolarHBondContact O-CG 3.12Å; M566-P599 VanDerWaalsContact C-CG 3.5Å; M566-P599 WeakPolarHBondContact O-CG 3.4Å
567A96.2Very high96.2Very high75 Ų7547.8 Ų47.862%0.6226%0.261SS*.THydrogen-bonded Turntrans-66.1163.2174.200000112R569 P599A567-R569 PolarHBondContact O-N 3.16Å; A567-P599 HydrophobicContact CB-CB 4.21Å; A567-P599 HydrophobicContact CB-CG 4.5Å
568G97.3Very high96.7Very high17 Ų1745.4 Ų45.418%0.17524%0.244CC..THydrogen-bonded Turntrans75.87.7-178.600000114.5V519 F628 N632V519-G568 WeakPolarHBondContact CG1-O 2.85Å; G568-F628 WeakPolarHBondContact O-CZ 3.34Å; G568-N632 VanDerWaalsContact CA-OD1 3.25Å; G568-N632 WeakPolarHBondContact CA-OD1 3.14Å; G568-N632 WeakPolarHBondContact O-CB 3.24Å
569R98.2Very high97Very high25 Ų2543.8 Ų43.89%0.09424%0.237CC..SBendtrans-93.9-20.7-175.3-73.8-65.3-38.5-151.18.3114.6L510 F517 K518 V519 A520 P564 M566 A567L510-R569 WeakPolarHBondContact CD2-O 3.43Å; F517-R569 PolarHBondContact O-NH1 3.31Å; F517-R569 PolarHBondContact O-NH2 3.2Å; K518-R569 WeakPolarHBondContact O-CD 3.27Å; K518-R569 PolarHBondContact O-NE 3.15Å; K518-R569 PolarHBondContact O-NH1 2.8Å; K518-R569 PolarHBondContact O-NH2 2.89Å; K518-R569 VanDerWaalsContact O-NH2 3.13Å; V519-R569 WeakPolarHBondContact CA-O 3.14Å; A520-R569 PolarHBondContact N-O 2.92Å; P564-R569 HydrophobicContact CB-CB 4.11Å; P564-R569 HydrophobicContact CB-CG 3.89Å; P564-R569 HydrophobicContact CG-CB 4.31Å; P564-R569 HydrophobicContact CG-CG 4.39Å; M566-R569 HydrophobicContact CB-CG 4.02Å; M566-R569 HydrophobicContact CG-CG 4.38Å; M566-R569 WeakPolarHBondContact O-CB 3.48Å; M566-R569 WeakPolarHBondContact O-CG 3.12Å; A567-R569 PolarHBondContact O-N 3.16Å
570L98.6Very high97Very high4 Ų445.4 Ų45.42%0.02125%0.246CC..EExtended strand (participates in β ladder)trans-142.5125-172.4175.659.5000110.7L507 L510 A520 F563 I572 L593 S601L507-L570 HydrophobicContact CD2-CD1 3.58Å; L507-L570 HydrophobicContact CD2-CD2 4.3Å; L510-L570 HydrophobicContact CD2-CB 3.81Å; L510-L570 HydrophobicContact CD2-CD1 3.95Å; L510-L570 HydrophobicContact CD2-CG 4.31Å; A520-L570 WeakPolarHBondContact O-CA 3.17Å; F563-L570 HydrophobicContact CD1-CD2 3.94Å; F563-L570 HydrophobicContact CE1-CD2 3.82Å; L570-I572 HydrophobicContact CD1-CG1 4.17Å; L570-I572 HydrophobicContact CD2-CD1 4.17Å; L570-I572 HydrophobicContact CD2-CG1 4.37Å; L570-I572 HydrophobicContact CG-CD1 4.45Å; L570-I572 HydrophobicContact CG-CG1 4.14Å; L570-L593 HydrophobicContact CD2-CD1 4.26Å; L570-S601 PolarHBondContact O-N 2.88Å
571L98.7Very high97Very high6 Ų645.1 Ų45.13%0.03124%0.244CC..EExtended strand (participates in β ladder)trans-116.4129.3167.1174.462.5000109.5A520 I521 A522 L573 T624 F628A520-L571 PolarHBondContact O-N 2.95Å; I521-L571 WeakPolarHBondContact CA-O 3.49Å; I521-L571 HydrophobicContact CG1-CB 4.3Å; I521-L571 HydrophobicContact CG1-CD2 4.45Å; I521-L571 HydrophobicContact CG2-CD2 4.11Å; I521-L571 HydrophobicContact CG2-CG 4.4Å; A522-L571 PolarHBondContact N-O 2.68Å; L571-L573 HydrophobicContact CD1-CD2 4.13Å; L571-L573 HydrophobicContact CD2-CD2 4.07Å; L571-L573 HydrophobicContact CD2-CG 4.45Å; L571-L573 HydrophobicContact CG-CD2 4.04Å; L571-L573 HydrophobicContact CG-CG 4.28Å; L571-T624 HydrophobicContact CD2-CG2 4.38Å; L571-F628 HydrophobicContact CB-CD1 3.99Å; L571-F628 HydrophobicContact CB-CD2 4.01Å; L571-F628 HydrophobicContact CB-CE1 3.84Å; L571-F628 HydrophobicContact CB-CE2 3.88Å; L571-F628 HydrophobicContact CB-CG 4.06Å; L571-F628 HydrophobicContact CB-CZ 3.8Å; L571-F628 HydrophobicContact CD2-CB 3.82Å; L571-F628 HydrophobicContact CD2-CD1 4.1Å; L571-F628 HydrophobicContact CD2-CD2 4.24Å; L571-F628 HydrophobicContact CD2-CG 3.79Å; L571-F628 HydrophobicContact CG-CG 4.48Å
572I98.6Very high97.1Very high0 Ų045.7 Ų45.70%024%0.239CC..EExtended strand (participates in β ladder)trans-111.3130.7174.6-59.5166.7000108.7A522 L570 T586 L589 L593 S601 L602 Q603A522-I572 WeakPolarHBondContact O-CA 3.29Å; L570-I572 HydrophobicContact CD1-CG1 4.17Å; L570-I572 HydrophobicContact CD2-CD1 4.17Å; L570-I572 HydrophobicContact CD2-CG1 4.37Å; L570-I572 HydrophobicContact CG-CD1 4.45Å; L570-I572 HydrophobicContact CG-CG1 4.14Å; I572-T586 HydrophobicContact CG2-CG2 3.91Å; I572-L589 HydrophobicContact CD1-CD2 3.94Å; I572-L593 HydrophobicContact CD1-CD1 4.37Å; I572-S601 PolarHBondContact N-O 2.99Å; I572-L602 HydrophobicContact CB-CD1 3.96Å; I572-L602 HydrophobicContact CG2-CD1 3.83Å; I572-L602 CarbonylContact O-C 3.59Å; I572-L602 WeakPolarHBondContact O-CA 3.47Å; I572-Q603 PolarHBondContact O-N 2.86Å
573L98.4Very high97.1Very high1 Ų142 Ų421%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-120.3134.8176.7-53.9168.4000108.9W499 I521 A522 G523 A524 L571 Q603 Y605 M621 T624 I625W499-L573 HydrophobicContact CH2-CB 4.1Å; W499-L573 HydrophobicContact CZ3-CB 3.66Å; W499-L573 HydrophobicContact CZ3-CD1 4.11Å; I521-L573 HydrophobicContact CG2-CD1 3.93Å; A522-L573 PolarHBondContact O-N 3.2Å; G523-L573 CarbonylContact C-O 3.36Å; G523-L573 WeakPolarHBondContact CA-O 3.24Å; A524-L573 PolarHBondContact N-O 3.18Å; L571-L573 HydrophobicContact CD1-CD2 4.13Å; L571-L573 HydrophobicContact CD2-CD2 4.07Å; L571-L573 HydrophobicContact CD2-CG 4.45Å; L571-L573 HydrophobicContact CG-CD2 4.04Å; L571-L573 HydrophobicContact CG-CG 4.28Å; L573-Q603 WeakPolarHBondContact CA-O 3.46Å; L573-Q603 HydrophobicContact CD2-CB 3.63Å; L573-Q603 HydrophobicContact CD2-CG 4.28Å; L573-Y605 HydrophobicContact CB-CE2 4.48Å; L573-Y605 HydrophobicContact CD2-CE2 4.38Å; L573-M621 HydrophobicContact CD1-CG 4.06Å; L573-T624 HydrophobicContact CD2-CG2 4.46Å; L573-I625 HydrophobicContact CD1-CD1 3.74Å; L573-I625 HydrophobicContact CD1-CG1 3.73Å
574H98.2Very high97.1Very high0 Ų046.6 Ų46.60%024%0.243CC..EExtended strand (participates in β ladder)trans-156.6137.6178.4-143.1138.2000113.3D578 V581 F583 T586 Q603 T604 Y605H574-D578 IonicContact CD2-OD2 2.76Å; H574-D578 IonicContact NE2-OD2 3.53Å; H574-V581 PolarHBondContact NE2-O 3.48Å; H574-F583 HydrophobicContact CB-CD2 3.8Å; H574-F583 HydrophobicContact CB-CE2 3.84Å; H574-F583 AromaticContact CG-CD2 3.74Å; H574-T586 PolarHBondContact ND1-OG1 2.87Å; H574-Q603 PolarHBondContact N-O 2.71Å; H574-Q603 VanDerWaalsContact N-O 3.12Å; H574-T604 CarbonylContact O-C 3.59Å; H574-T604 WeakPolarHBondContact O-CA 3.46Å; H574-Y605 PolarHBondContact O-N 2.73Å
575G97Very high97.2Very high0 Ų045.4 Ų45.40%024%0.235CC..EExtended strand (participates in β ladder)trans-71.9132.2164.800000111.6R577 D578 Y605 E608G575-R577 VanDerWaalsContact C-N 3.29Å; G575-R577 PolarHBondContact O-N 3.37Å; G575-D578 WeakPolarHBondContact O-CB 3.41Å; G575-Y605 WeakPolarHBondContact CA-O 3.25Å; G575-E608 CarbonylContact C-O 3.6Å; G575-E608 VanDerWaalsContact CA-O 3.26Å; G575-E608 WeakPolarHBondContact CA-O 3.19Å
576M97.4Very high97.2Very high93 Ų9341 Ų4146%0.45821%0.205SC..THydrogen-bonded Turntrans-78.9-15.7-178.3-65.1-179.861.900113.1T604 Y605 P606 E608M576-T604 HydrophobicContact CG-CG2 4.46Å; M576-Y605 PolarHBondContact N-O 3.39Å; M576-P606 HydrophobicContact SD-CB 4.25Å; M576-P606 HydrophobicContact SD-CG 4.11Å; M576-E608 PolarHBondContact N-O 3.1Å
577R96.1Very high97.3Very high125 Ų12537.5 Ų37.547%0.47219%0.193SC..THydrogen-bonded Turntrans-101.616.1176.2-65.6179.769.5-170.41112.6G575 E579 P606 E608 R609G575-R577 VanDerWaalsContact C-N 3.29Å; G575-R577 PolarHBondContact O-N 3.37Å; R577-E579 PolarHBondContact O-N 3.46Å; R577-E579 VanDerWaalsContact O-N 3.1Å; R577-P606 VanDerWaalsContact CG-O 3.31Å; R577-P606 WeakPolarHBondContact CG-O 3.4Å; R577-E608 WeakPolarHBondContact CB-O 3.5Å; R577-E608 PolarHBondContact N-O 2.8Å; R577-R609 HydrophobicContact CB-CG 4.13Å; R577-R609 WeakPolarHBondContact O-CG 3.44Å
578D96.8Very high97.3Very high3 Ų336.6 Ų36.62%0.01618%0.179CC..  trans-62.5110.9176.1-165.7-21.6000109.8H574 G575 N580 V581 H582 H610H574-D578 IonicContact CD2-OD2 2.76Å; H574-D578 IonicContact NE2-OD2 3.53Å; G575-D578 WeakPolarHBondContact O-CB 3.41Å; D578-N580 PolarHBondContact OD1-N 3.26Å; D578-V581 WeakPolarHBondContact CB-O 3.38Å; D578-V581 PolarHBondContact OD1-N 2.91Å; D578-H582 WeakPolarHBondContact O-CA 3.26Å; D578-H610 WeakPolarHBondContact OD1-CB 3.29Å; D578-H610 IonicContact OD1-CG 3.22Å; D578-H610 IonicContact OD1-ND1 2.62Å; D578-H610 PolarHBondContact OD1-ND1 3.1Å; D578-H610 VanDerWaalsContact OD2-CA 3.26Å; D578-H610 WeakPolarHBondContact OD2-CA 3.49Å; D578-H610 IonicContact OD2-CE1 3.26Å; D578-H610 IonicContact OD2-CG 2.84Å; D578-H610 IonicContact OD2-ND1 2.7Å; D578-H610 PolarHBondContact OD2-ND1 3.37Å
579E95.5Very high97.4Very high84 Ų8435.9 Ų35.939%0.39317%0.171SC..THydrogen-bonded Turntrans-90-13.4178.375.8-82.2-130.800112.6R577 R609R577-E579 PolarHBondContact O-N 3.46Å; R577-E579 VanDerWaalsContact O-N 3.1Å; E579-R609 VanDerWaalsContact OE1-CD 3.25Å; E579-R609 WeakPolarHBondContact OE1-CD 3.32Å; E579-R609 IonicContact OE1-CZ 3.47Å; E579-R609 IonicContact OE1-NE 3.2Å; E579-R609 IonicContact OE1-NH1 3.29Å; E579-R609 PolarHBondContact OE1-NH1 2.71Å; E579-R609 WeakPolarHBondContact OE2-CB 3.34Å; E579-R609 WeakPolarHBondContact OE2-CD 3.4Å
580N93.6Very high97.3Very high45 Ų4535.8 Ų35.824%0.24117%0.172CC..THydrogen-bonded Turntrans-92.6-64.8-178.5-178.344.8000110.2Y532 D578 H582 H610Y532-N580 WeakPolarHBondContact CE2-O 3.4Å; Y532-N580 PolarHBondContact OH-ND2 3.32Å; Y532-N580 PolarHBondContact OH-OD1 3.32Å; D578-N580 PolarHBondContact OD1-N 3.26Å; N580-H582 PolarHBondContact O-N 2.88Å; N580-H610 HydrophobicContact CB-CB 4.14Å; N580-H610 PolarHBondContact ND2-CD2 3.39Å
581V96.5Very high97.3Very high0 Ų040.2 Ų40.20%019%0.193CC..THydrogen-bonded Turntrans-99.384.3170.5-177.90000106.9V526 Y532 H574 D578 F583 H585 H610V526-V581 HydrophobicContact CG2-CG1 4.17Å; V526-V581 HydrophobicContact CG2-CG2 3.93Å; Y532-V581 HydrophobicContact CD2-CG2 4.27Å; Y532-V581 HydrophobicContact CE2-CB 4.46Å; Y532-V581 HydrophobicContact CE2-CG2 3.53Å; H574-V581 PolarHBondContact NE2-O 3.48Å; D578-V581 WeakPolarHBondContact CB-O 3.38Å; D578-V581 PolarHBondContact OD1-N 2.91Å; V581-F583 PolarHBondContact O-N 2.89Å; V581-H585 HydrophobicContact CG1-CB 4.29Å; V581-H585 WeakPolarHBondContact CG1-CD2 3.37Å; V581-H610 WeakPolarHBondContact CG2-CE1 3.37Å
582H97.3Very high97.2Very high115 Ų11540.9 Ų40.953%0.53220%0.199SC..THydrogen-bonded Turntrans-52.2140.4-174.1-165.8-84.1000112D578 N580 K584 H585D578-H582 WeakPolarHBondContact O-CA 3.26Å; N580-H582 PolarHBondContact O-N 2.88Å; H582-K584 HydrophobicContact CB-CB 4.37Å; H582-K584 VanDerWaalsContact ND1-CB 3.32Å; H582-K584 WeakPolarHBondContact ND1-CB 3.3Å; H582-K584 PolarHBondContact ND1-N 3.47Å; H582-K584 PolarHBondContact O-N 3.24Å; H582-H585 WeakPolarHBondContact O-CB 3.31Å; H582-H585 PolarHBondContact O-CD2 3.24Å; H582-H585 VanDerWaalsContact O-CD2 3.28Å; H582-H585 PolarHBondContact O-N 3.36Å
583F97.4Very high97.2Very high42 Ų4240.9 Ų40.918%0.18420%0.199CC..THydrogen-bonded Turntrans-55.4-11177.6-171.2-104.1000114.2H574 V581 H585 T586 S587 T604H574-F583 HydrophobicContact CB-CD2 3.8Å; H574-F583 HydrophobicContact CB-CE2 3.84Å; H574-F583 AromaticContact CG-CD2 3.74Å; V581-F583 PolarHBondContact O-N 2.89Å; F583-H585 PolarHBondContact O-N 3.46Å; F583-T586 HydrophobicContact CD2-CG2 4.43Å; F583-T586 HydrophobicContact CE2-CG2 3.73Å; F583-T586 HydrophobicContact CZ-CG2 3.99Å; F583-T586 PolarHBondContact O-N 3.08Å; F583-S587 PolarHBondContact O-N 3.14Å; F583-S587 PolarHBondContact O-OG 2.8Å; F583-S587 VanDerWaalsContact O-OG 3.04Å; F583-T604 HydrophobicContact CE2-CG2 3.72Å; F583-T604 HydrophobicContact CZ-CG2 3.76Å
584K97.2Very high97.1Very high102 Ų10245.4 Ų45.444%0.44322%0.223SC..Hα-helixtrans-53-36.2167.5-176.7175.4179.2-176.10111.9F531 H582 S587 T588F531-K584 HydrophobicContact CD2-CG 4.39Å; F531-K584 HydrophobicContact CE2-CG 4.38Å; H582-K584 HydrophobicContact CB-CB 4.37Å; H582-K584 VanDerWaalsContact ND1-CB 3.32Å; H582-K584 WeakPolarHBondContact ND1-CB 3.3Å; H582-K584 PolarHBondContact ND1-N 3.47Å; H582-K584 PolarHBondContact O-N 3.24Å; K584-S587 VanDerWaalsContact CA-OG 3.24Å; K584-S587 WeakPolarHBondContact CA-OG 3.26Å; K584-S587 PolarHBondContact O-OG 3.34Å; K584-S587 VanDerWaalsContact O-OG 3.11Å; K584-T588 VanDerWaalsContact O-CB 3.31Å; K584-T588 WeakPolarHBondContact O-CB 3.48Å; K584-T588 PolarHBondContact O-N 2.92Å; K584-T588 PolarHBondContact O-OG1 2.91Å
585H98.1Very high97.1Very high0 Ų052.3 Ų52.30%026%0.255CS..Hα-helixtrans-58-52.2175.4-77.6-75.3000112.2P525 T527 D528 F531 V581 H582 F583 L589P525-H585 WeakPolarHBondContact O-CB 3.48Å; T527-H585 HydrophobicContact CG2-CB 4.1Å; T527-H585 WeakPolarHBondContact CG2-O 3.22Å; T527-H585 PolarHBondContact N-ND1 3.3Å; T527-H585 VanDerWaalsContact OG1-C 3.27Å; T527-H585 WeakPolarHBondContact OG1-CA 3.16Å; T527-H585 WeakPolarHBondContact OG1-CB 3.5Å; T527-H585 PolarHBondContact OG1-ND1 2.87Å; T527-H585 PolarHBondContact OG1-O 3.1Å; D528-H585 PolarHBondContact O-CE1 3.28Å; F531-H585 AromaticContact CD2-ND1 3.82Å; V581-H585 HydrophobicContact CG1-CB 4.29Å; V581-H585 WeakPolarHBondContact CG1-CD2 3.37Å; H582-H585 WeakPolarHBondContact O-CB 3.31Å; H582-H585 PolarHBondContact O-CD2 3.24Å; H582-H585 VanDerWaalsContact O-CD2 3.28Å; H582-H585 PolarHBondContact O-N 3.36Å; F583-H585 PolarHBondContact O-N 3.46Å; H585-L589 WeakPolarHBondContact O-CB 3.47Å; H585-L589 PolarHBondContact O-N 2.69Å; H585-L589 VanDerWaalsContact O-N 3.11Å
586T98.1Very high97.1Very high0 Ų054.1 Ų54.10%027%0.27CS..Hα-helixtrans-69.1-44.3179.9-76.80000112I572 H574 F583 T588 L589 I590 L602I572-T586 HydrophobicContact CG2-CG2 3.91Å; H574-T586 PolarHBondContact ND1-OG1 2.87Å; F583-T586 HydrophobicContact CD2-CG2 4.43Å; F583-T586 HydrophobicContact CE2-CG2 3.73Å; F583-T586 HydrophobicContact CZ-CG2 3.99Å; F583-T586 PolarHBondContact O-N 3.08Å; T586-T588 PolarHBondContact O-N 2.62Å; T586-L589 PolarHBondContact O-N 2.92Å; T586-I590 HydrophobicContact CG2-CD1 3.62Å; T586-I590 HydrophobicContact CG2-CG1 4.31Å; T586-I590 VanDerWaalsContact O-CG1 3.3Å; T586-I590 WeakPolarHBondContact O-CG1 3.47Å; T586-I590 PolarHBondContact O-N 2.93Å; T586-L602 HydrophobicContact CG2-CD1 3.79Å
587S97.5Very high97.1Very high51 Ų5152.5 Ų52.536%0.35728%0.277SS..Hα-helixtrans-61.7-40.2178.6520000113F583 K584 I590 Q591F583-S587 PolarHBondContact O-N 3.14Å; F583-S587 PolarHBondContact O-OG 2.8Å; F583-S587 VanDerWaalsContact O-OG 3.04Å; K584-S587 VanDerWaalsContact CA-OG 3.24Å; K584-S587 WeakPolarHBondContact CA-OG 3.26Å; K584-S587 PolarHBondContact O-OG 3.34Å; K584-S587 VanDerWaalsContact O-OG 3.11Å; S587-I590 PolarHBondContact O-N 2.83Å; S587-Q591 PolarHBondContact O-N 2.86Å; S587-Q591 VanDerWaalsContact O-N 3.1Å
588T97.2Very high97.2Very high55 Ų5548 Ų4834%0.33726%0.261SS..Hα-helixtrans-67.4-39.6175.7-52.60000111.8F531 K584 T586 Q591 A592F531-T588 HydrophobicContact CE2-CG2 4.25Å; F531-T588 HydrophobicContact CZ-CG2 4.48Å; K584-T588 VanDerWaalsContact O-CB 3.31Å; K584-T588 WeakPolarHBondContact O-CB 3.48Å; K584-T588 PolarHBondContact O-N 2.92Å; K584-T588 PolarHBondContact O-OG1 2.91Å; T586-T588 PolarHBondContact O-N 2.62Å; T588-Q591 PolarHBondContact O-N 3.17Å; T588-A592 PolarHBondContact O-N 3.31Å; T588-A592 VanDerWaalsContact O-N 3.12Å
589L97.9Very high97.2Very high3 Ų349.8 Ų49.82%0.01627%0.273CS..Hα-helixtrans-63.6-43.2174.9173.763.8000111.8L507 T527 V556 V560 I572 H585 T586 Q591 A592 L593L507-L589 HydrophobicContact CD1-CD2 3.66Å; L507-L589 HydrophobicContact CD2-CD2 4.21Å; T527-L589 HydrophobicContact CG2-CB 3.9Å; T527-L589 HydrophobicContact CG2-CD2 3.81Å; T527-L589 HydrophobicContact CG2-CG 4.4Å; V556-L589 HydrophobicContact CG1-CD1 3.81Å; V560-L589 HydrophobicContact CG2-CD1 3.96Å; I572-L589 HydrophobicContact CD1-CD2 3.94Å; H585-L589 WeakPolarHBondContact O-CB 3.47Å; H585-L589 PolarHBondContact O-N 2.69Å; H585-L589 VanDerWaalsContact O-N 3.11Å; T586-L589 PolarHBondContact O-N 2.92Å; L589-Q591 VanDerWaalsContact C-N 3.32Å; L589-Q591 PolarHBondContact O-N 3.42Å; L589-A592 PolarHBondContact O-N 2.88Å; L589-L593 HydrophobicContact CD1-CD1 4.16Å; L589-L593 HydrophobicContact CD1-CG 4.14Å; L589-L593 HydrophobicContact CD2-CD1 4.48Å; L589-L593 HydrophobicContact CG-CD1 3.87Å; L589-L593 HydrophobicContact CG-CG 4.33Å; L589-L593 WeakPolarHBondContact O-CG 3.19Å; L589-L593 PolarHBondContact O-N 3.07Å
590I97.5Very high97.4Very high22 Ų2249.6 Ų49.611%0.11327%0.269CS..Hα-helixtrans-58.1-46.7176.6-74.2164.2000110.5T586 S587 A592 L593 I594 Y600 L602T586-I590 HydrophobicContact CG2-CD1 3.62Å; T586-I590 HydrophobicContact CG2-CG1 4.31Å; T586-I590 VanDerWaalsContact O-CG1 3.3Å; T586-I590 WeakPolarHBondContact O-CG1 3.47Å; T586-I590 PolarHBondContact O-N 2.93Å; S587-I590 PolarHBondContact O-N 2.83Å; I590-A592 VanDerWaalsContact C-N 3.32Å; I590-A592 PolarHBondContact O-N 3.4Å; I590-L593 PolarHBondContact O-N 2.9Å; I590-I594 HydrophobicContact CG2-CD1 3.73Å; I590-I594 HydrophobicContact CG2-CG1 4.37Å; I590-I594 VanDerWaalsContact O-CG1 3.3Å; I590-I594 WeakPolarHBondContact O-CG1 3.22Å; I590-I594 PolarHBondContact O-N 3.46Å; I590-Y600 HydrophobicContact CD1-CE2 4.27Å; I590-Y600 HydrophobicContact CG1-CD2 4.42Å; I590-Y600 HydrophobicContact CG1-CE2 3.93Å; I590-Y600 HydrophobicContact CG2-CE1 4.1Å; I590-Y600 HydrophobicContact CG2-CE2 4.32Å; I590-Y600 WeakPolarHBondContact CG2-OH 3.25Å; I590-L602 HydrophobicContact CD1-CD1 4.27Å; I590-L602 HydrophobicContact CD1-CD2 3.62Å; I590-L602 HydrophobicContact CD1-CG 4.49Å
591Q97.7Very high97.6Very high97 Ų9749.7 Ų49.745%0.45327%0.273SS..Hα-helixtrans-57.5-46.7177.4-177.558.435.500111.3S587 T588 L589 L593 I594 E595S587-Q591 PolarHBondContact O-N 2.86Å; S587-Q591 VanDerWaalsContact O-N 3.1Å; T588-Q591 PolarHBondContact O-N 3.17Å; L589-Q591 VanDerWaalsContact C-N 3.32Å; L589-Q591 PolarHBondContact O-N 3.42Å; Q591-L593 PolarHBondContact O-N 2.89Å; Q591-I594 PolarHBondContact O-N 3.36Å; Q591-E595 PolarHBondContact NE2-OE1 3.49Å; Q591-E595 WeakPolarHBondContact O-CG 3.29Å; Q591-E595 PolarHBondContact O-N 3.03Å
592A97.4Very high97.7Very high20 Ų2052.8 Ų52.817%0.16529%0.29CS..Hα-helixtrans-63.8-39.7177.200000112.7V560 T588 L589 I590 E595 A596V560-A592 HydrophobicContact CG1-CB 4.28Å; V560-A592 WeakPolarHBondContact CG1-O 3.45Å; V560-A592 HydrophobicContact CG2-CB 3.92Å; T588-A592 PolarHBondContact O-N 3.31Å; T588-A592 VanDerWaalsContact O-N 3.12Å; L589-A592 PolarHBondContact O-N 2.88Å; I590-A592 VanDerWaalsContact C-N 3.32Å; I590-A592 PolarHBondContact O-N 3.4Å; A592-E595 PolarHBondContact O-N 2.97Å; A592-A596 WeakPolarHBondContact O-CB 3.25Å; A592-A596 PolarHBondContact O-N 3.03Å
593L97.8Very high97.7Very high0 Ų050.1 Ų50.10%028%0.277CS..Hα-helixtrans-63.3-40.7175.9-72.4165.8000111.6V560 F563 L570 I572 L589 I590 Q591 A596 G597 K598 Y600V560-L593 HydrophobicContact CG1-CD2 4.13Å; F563-L593 HydrophobicContact CG-CD2 4.33Å; L570-L593 HydrophobicContact CD2-CD1 4.26Å; I572-L593 HydrophobicContact CD1-CD1 4.37Å; L589-L593 HydrophobicContact CD1-CD1 4.16Å; L589-L593 HydrophobicContact CD1-CG 4.14Å; L589-L593 HydrophobicContact CD2-CD1 4.48Å; L589-L593 HydrophobicContact CG-CD1 3.87Å; L589-L593 HydrophobicContact CG-CG 4.33Å; L589-L593 WeakPolarHBondContact O-CG 3.19Å; L589-L593 PolarHBondContact O-N 3.07Å; I590-L593 PolarHBondContact O-N 2.9Å; Q591-L593 PolarHBondContact O-N 2.89Å; L593-A596 CarbonylContact O-C 3.53Å; L593-A596 PolarHBondContact O-N 2.85Å; L593-G597 PolarHBondContact O-N 3.43Å; L593-K598 HydrophobicContact CB-CB 4.34Å; L593-K598 HydrophobicContact CD2-CB 3.58Å; L593-K598 HydrophobicContact CD2-CG 4.3Å; L593-K598 PolarHBondContact O-N 3.45Å; L593-Y600 HydrophobicContact CB-CD1 4.13Å; L593-Y600 HydrophobicContact CD1-CD1 4.02Å; L593-Y600 HydrophobicContact CD1-CG 4.16Å
594I97.4Very high97.8Very high97 Ų9750.1 Ų50.150%0.49728%0.281SS..Hα-helixtrans-60.7-50.2174.9-69.9166000110.1I590 Q591 A596 G597 Y600I590-I594 HydrophobicContact CG2-CD1 3.73Å; I590-I594 HydrophobicContact CG2-CG1 4.37Å; I590-I594 VanDerWaalsContact O-CG1 3.3Å; I590-I594 WeakPolarHBondContact O-CG1 3.22Å; I590-I594 PolarHBondContact O-N 3.46Å; Q591-I594 PolarHBondContact O-N 3.36Å; I594-A596 PolarHBondContact O-N 2.85Å; I594-G597 PolarHBondContact O-N 2.99Å; I594-Y600 HydrophobicContact CG1-CE1 4.33Å
595E97.4Very high97.7Very high144 Ų14445.8 Ų45.867%0.67326%0.262SS*.Hα-helixtrans-60.5-34.6179.5-72.3169.3-173.100112.6Q591 A592Q591-E595 PolarHBondContact NE2-OE1 3.49Å; Q591-E595 WeakPolarHBondContact O-CG 3.29Å; Q591-E595 PolarHBondContact O-N 3.03Å; A592-E595 PolarHBondContact O-N 2.97Å
596A97.4Very high97.6Very high38 Ų3849.6 Ų49.631%0.31429%0.286SS..THydrogen-bonded Turntrans-86.9-0.8177.400000114.5V560 A592 L593 I594 K598V560-A596 HydrophobicContact CG1-CB 3.52Å; A592-A596 WeakPolarHBondContact O-CB 3.25Å; A592-A596 PolarHBondContact O-N 3.03Å; L593-A596 CarbonylContact O-C 3.53Å; L593-A596 PolarHBondContact O-N 2.85Å; I594-A596 PolarHBondContact O-N 2.85Å; A596-K598 VanDerWaalsContact C-N 3.35Å; A596-K598 HydrophobicContact CB-CG 3.91Å; A596-K598 PolarHBondContact O-N 2.83Å
597G97.3Very high97.5Very high60 Ų6055.5 Ų55.562%0.61932%0.318SS*.THydrogen-bonded Turntrans63.935.1-17800000113.9L593 I594L593-G597 PolarHBondContact O-N 3.43Å; I594-G597 PolarHBondContact O-N 2.99Å
598K98Very high97.3Very high29 Ų2953.7 Ų53.713%0.12630%0.304CS..  trans-101.4129.3-177-61.4-61.9-178.7169.80111.6T561 F563 S565 L593 A596T561-K598 VanDerWaalsContact O-CE 3.25Å; T561-K598 WeakPolarHBondContact O-CE 3.27Å; T561-K598 PolarHBondContact O-NZ 3.38Å; F563-K598 HydrophobicContact CB-CD 4.33Å; F563-K598 HydrophobicContact CB-CG 4.32Å; F563-K598 WeakPolarHBondContact O-CD 3.5Å; F563-K598 WeakPolarHBondContact O-CE 3.34Å; F563-K598 PolarHBondContact O-NZ 2.88Å; S565-K598 PolarHBondContact OG-NZ 3.28Å; S565-K598 VanDerWaalsContact OG-NZ 3.12Å; L593-K598 HydrophobicContact CB-CB 4.34Å; L593-K598 HydrophobicContact CD2-CB 3.58Å; L593-K598 HydrophobicContact CD2-CG 4.3Å; L593-K598 PolarHBondContact O-N 3.45Å; A596-K598 VanDerWaalsContact C-N 3.35Å; A596-K598 HydrophobicContact CB-CG 3.91Å; A596-K598 PolarHBondContact O-N 2.83Å
599P98Very high97.2Very high41 Ų4153.9 Ų53.927%0.26630%0.298SS..  trans-75.4147.3-179.931.5-34.8000112M566 A567M566-P599 VanDerWaalsContact C-CG 3.5Å; M566-P599 WeakPolarHBondContact O-CG 3.4Å; A567-P599 HydrophobicContact CB-CB 4.21Å; A567-P599 HydrophobicContact CB-CG 4.5Å
600Y98.2Very high96.9Very high81 Ų8154.8 Ų54.832%0.31830%0.303SS..  trans-149154.2174.366-87.4000110.8I590 L593 I594 L602I590-Y600 HydrophobicContact CD1-CE2 4.27Å; I590-Y600 HydrophobicContact CG1-CD2 4.42Å; I590-Y600 HydrophobicContact CG1-CE2 3.93Å; I590-Y600 HydrophobicContact CG2-CE1 4.1Å; I590-Y600 HydrophobicContact CG2-CE2 4.32Å; I590-Y600 WeakPolarHBondContact CG2-OH 3.25Å; L593-Y600 HydrophobicContact CB-CD1 4.13Å; L593-Y600 HydrophobicContact CD1-CD1 4.02Å; L593-Y600 HydrophobicContact CD1-CG 4.16Å; I594-Y600 HydrophobicContact CG1-CE1 4.33Å; Y600-L602 HydrophobicContact CD2-CB 4.13Å; Y600-L602 HydrophobicContact CE2-CB 4.04Å
601S98.4Very high96.1Very high47 Ų4755 Ų5533%0.32931%0.308SS..EExtended strand (participates in β ladder)trans-106.4141.9164-62.90000109.2L570 I572L570-S601 PolarHBondContact O-N 2.88Å; I572-S601 PolarHBondContact N-O 2.99Å
602L98.3Very high95.3Very high65 Ų6550.9 Ų50.934%0.3429%0.288SS..EExtended strand (participates in β ladder)trans-131.5134.3-178.8177.669.6000110.2I572 T586 I590 Y600 T604I572-L602 HydrophobicContact CB-CD1 3.96Å; I572-L602 HydrophobicContact CG2-CD1 3.83Å; I572-L602 CarbonylContact O-C 3.59Å; I572-L602 WeakPolarHBondContact O-CA 3.47Å; T586-L602 HydrophobicContact CG2-CD1 3.79Å; I590-L602 HydrophobicContact CD1-CD1 4.27Å; I590-L602 HydrophobicContact CD1-CD2 3.62Å; I590-L602 HydrophobicContact CD1-CG 4.49Å; Y600-L602 HydrophobicContact CD2-CB 4.13Å; Y600-L602 HydrophobicContact CE2-CB 4.04Å; L602-T604 HydrophobicContact CD1-CG2 4.16Å; L602-T604 HydrophobicContact CD2-CG2 3.99Å; L602-T604 HydrophobicContact CG-CG2 4Å
603Q98.2Very high94.3Very high59 Ų5958 Ų5828%0.27631%0.311SS..EExtended strand (participates in β ladder)trans-127.1124.4165-177.56261.400109.5I572 L573 H574 Y605 T624I572-Q603 PolarHBondContact O-N 2.86Å; L573-Q603 WeakPolarHBondContact CA-O 3.46Å; L573-Q603 HydrophobicContact CD2-CB 3.63Å; L573-Q603 HydrophobicContact CD2-CG 4.28Å; H574-Q603 PolarHBondContact N-O 2.71Å; H574-Q603 VanDerWaalsContact N-O 3.12Å; Q603-Y605 HydrophobicContact CB-CE2 4.31Å; Q603-Y605 HydrophobicContact CG-CD2 4.49Å; Q603-Y605 HydrophobicContact CG-CE1 4.34Å; Q603-Y605 HydrophobicContact CG-CE2 3.63Å; Q603-Y605 VanDerWaalsContact CG-OH 3.31Å; Q603-Y605 WeakPolarHBondContact CG-OH 3.32Å; Q603-T624 HydrophobicContact CB-CG2 4.38Å; Q603-T624 HydrophobicContact CG-CG2 4.42Å
604T97.9Very high93.7Very high41 Ų4162.3 Ų62.325%0.25233%0.334SS..EExtended strand (participates in β ladder)trans-108.6152.2177.654.80000111.1H574 M576 F583 L602H574-T604 CarbonylContact O-C 3.59Å; H574-T604 WeakPolarHBondContact O-CA 3.46Å; M576-T604 HydrophobicContact CG-CG2 4.46Å; F583-T604 HydrophobicContact CE2-CG2 3.72Å; F583-T604 HydrophobicContact CZ-CG2 3.76Å; L602-T604 HydrophobicContact CD1-CG2 4.16Å; L602-T604 HydrophobicContact CD2-CG2 3.99Å; L602-T604 HydrophobicContact CG-CG2 4Å
605Y97Very high92.9Very high12 Ų1261.2 Ų61.25%0.04734%0.339CS..EExtended strand (participates in β ladder)trans-125.398.3179.6-61.7-92.6000109L573 H574 G575 M576 Q603 D607 E608 F612 A617 M621L573-Y605 HydrophobicContact CB-CE2 4.48Å; L573-Y605 HydrophobicContact CD2-CE2 4.38Å; H574-Y605 PolarHBondContact O-N 2.73Å; G575-Y605 WeakPolarHBondContact CA-O 3.25Å; M576-Y605 PolarHBondContact N-O 3.39Å; Q603-Y605 HydrophobicContact CB-CE2 4.31Å; Q603-Y605 HydrophobicContact CG-CD2 4.49Å; Q603-Y605 HydrophobicContact CG-CE1 4.34Å; Q603-Y605 HydrophobicContact CG-CE2 3.63Å; Q603-Y605 VanDerWaalsContact CG-OH 3.31Å; Q603-Y605 WeakPolarHBondContact CG-OH 3.32Å; Y605-D607 VanDerWaalsContact C-N 3.3Å; Y605-D607 PolarHBondContact O-N 2.6Å; Y605-E608 PolarHBondContact O-N 2.77Å; Y605-F612 HydrophobicContact CD1-CD1 4.49Å; Y605-F612 AromaticContact CD1-CE1 3.45Å; Y605-F612 HydrophobicContact CD1-CE1 3.45Å; Y605-F612 VanDerWaalsContact CD1-CE1 3.45Å; Y605-F612 AromaticContact CD1-CZ 3.89Å; Y605-F612 HydrophobicContact CD1-CZ 3.89Å; Y605-F612 AromaticContact CD2-CE1 3.71Å; Y605-F612 HydrophobicContact CD2-CE1 3.71Å; Y605-F612 HydrophobicContact CD2-CE2 4.34Å; Y605-F612 AromaticContact CD2-CZ 3.24Å; Y605-F612 HydrophobicContact CD2-CZ 3.24Å; Y605-F612 AromaticContact CE1-CE1 3.63Å; Y605-F612 HydrophobicContact CE1-CE1 3.63Å; Y605-F612 HydrophobicContact CE1-CZ 4.21Å; Y605-F612 AromaticContact CE2-CE1 3.86Å; Y605-F612 HydrophobicContact CE2-CE1 3.86Å; Y605-F612 AromaticContact CE2-CZ 3.6Å; Y605-F612 HydrophobicContact CE2-CZ 3.6Å; Y605-F612 AromaticContact CG-CE1 3.47Å; Y605-F612 HydrophobicContact CG-CE1 3.47Å; Y605-F612 VanDerWaalsContact CG-CE1 3.47Å; Y605-F612 HydrophobicContact CG-CE2 4.46Å; Y605-F612 AromaticContact CG-CZ 3.37Å; Y605-F612 HydrophobicContact CG-CZ 3.37Å; Y605-F612 AromaticContact CZ-CE1 3.82Å; Y605-A617 HydrophobicContact CD1-CB 4.15Å; Y605-M621 HydrophobicContact CE1-CB 4.17Å; Y605-M621 WeakPolarHBondContact OH-CA 3.43Å; Y605-M621 VanDerWaalsContact OH-CB 3.3Å; Y605-M621 WeakPolarHBondContact OH-CB 3.38Å
606P96Very high92.3Very high79 Ų7957.6 Ų57.651%0.51333%0.334SS..THydrogen-bonded Turntrans-58.3-35.6-168.2-29.436.5000115.3M576 R577M576-P606 HydrophobicContact SD-CB 4.25Å; M576-P606 HydrophobicContact SD-CG 4.11Å; R577-P606 VanDerWaalsContact CG-O 3.31Å; R577-P606 WeakPolarHBondContact CG-O 3.4Å
607D94.2Very high91.8Very high125 Ų12556.6 Ų56.667%0.66833%0.326SS*.THydrogen-bonded Turntrans-98.6-5.8-175.1-67.4-47.4000114Y605Y605-D607 VanDerWaalsContact C-N 3.3Å; Y605-D607 PolarHBondContact O-N 2.6Å
608E94.7Very high91.2Very high12 Ų1254.6 Ų54.66%0.05630%0.302CS..  trans-90.8148.4-177.8-61.7-60.4165.700111.9G575 M576 R577 Y605 F612 R613 N614 A617G575-E608 CarbonylContact C-O 3.6Å; G575-E608 VanDerWaalsContact CA-O 3.26Å; G575-E608 WeakPolarHBondContact CA-O 3.19Å; M576-E608 PolarHBondContact N-O 3.1Å; R577-E608 WeakPolarHBondContact CB-O 3.5Å; R577-E608 PolarHBondContact N-O 2.8Å; Y605-E608 PolarHBondContact O-N 2.77Å; E608-F612 HydrophobicContact CB-CD2 3.98Å; E608-F612 HydrophobicContact CB-CE2 3.98Å; E608-F612 HydrophobicContact CB-CG 4.32Å; E608-F612 HydrophobicContact CB-CZ 4.37Å; E608-F612 HydrophobicContact CG-CD1 3.94Å; E608-F612 HydrophobicContact CG-CD2 4.13Å; E608-F612 HydrophobicContact CG-CE1 4.16Å; E608-F612 HydrophobicContact CG-CE2 4.31Å; E608-F612 HydrophobicContact CG-CG 3.95Å; E608-F612 HydrophobicContact CG-CZ 4.36Å; E608-F612 VanDerWaalsContact OE2-CA 3.23Å; E608-F612 WeakPolarHBondContact OE2-CA 3.37Å; E608-R613 PolarHBondContact OE2-N 2.91Å; E608-N614 WeakPolarHBondContact OE1-CB 3.16Å; E608-N614 PolarHBondContact OE1-N 3.42Å; E608-A617 HydrophobicContact CG-CB 3.84Å; E608-A617 VanDerWaalsContact OE1-CB 3.26Å; E608-A617 WeakPolarHBondContact OE1-CB 3.45Å
609R94.1Very high90.6Very high60 Ų6057.1 Ų57.123%0.22632%0.323CS..  trans-99.8-147.2175.6-57.2-164.8-176.2-172.2-1.8109.9E78 R577 E579 A611E78-R609 IonicContact OE1-NH2 3.35Å; E78-R609 PolarHBondContact OE1-NH2 2.87Å; R577-R609 HydrophobicContact CB-CG 4.13Å; R577-R609 WeakPolarHBondContact O-CG 3.44Å; E579-R609 VanDerWaalsContact OE1-CD 3.25Å; E579-R609 WeakPolarHBondContact OE1-CD 3.32Å; E579-R609 IonicContact OE1-CZ 3.47Å; E579-R609 IonicContact OE1-NE 3.2Å; E579-R609 IonicContact OE1-NH1 3.29Å; E579-R609 PolarHBondContact OE1-NH1 2.71Å; E579-R609 WeakPolarHBondContact OE2-CB 3.34Å; E579-R609 WeakPolarHBondContact OE2-CD 3.4Å; R609-A611 VanDerWaalsContact C-N 3.29Å; R609-A611 PolarHBondContact O-N 2.62Å
610H92.9Very high90.3Very high22 Ų2259.8 Ų59.810%0.10233%0.331CS..SBendtrans-63.3-33177.1-15856.7000114.2W499 S500 D578 N580 V581W499-H610 PolarHBondContact NE1-O 2.66Å; S500-H610 VanDerWaalsContact CB-NE2 3.32Å; S500-H610 WeakPolarHBondContact CB-NE2 3.23Å; S500-H610 PolarHBondContact OG-CE1 2.9Å; S500-H610 PolarHBondContact OG-NE2 2.76Å; D578-H610 WeakPolarHBondContact OD1-CB 3.29Å; D578-H610 IonicContact OD1-CG 3.22Å; D578-H610 IonicContact OD1-ND1 2.62Å; D578-H610 PolarHBondContact OD1-ND1 3.1Å; D578-H610 VanDerWaalsContact OD2-CA 3.26Å; D578-H610 WeakPolarHBondContact OD2-CA 3.49Å; D578-H610 IonicContact OD2-CE1 3.26Å; D578-H610 IonicContact OD2-CG 2.84Å; D578-H610 IonicContact OD2-ND1 2.7Å; D578-H610 PolarHBondContact OD2-ND1 3.37Å; N580-H610 HydrophobicContact CB-CB 4.14Å; N580-H610 PolarHBondContact ND2-CD2 3.39Å; V581-H610 WeakPolarHBondContact CG2-CE1 3.37Å
611A79.7Confident90Very high27 Ų2756.2 Ų56.222%0.22332%0.318CS..SBendtrans-120.4148.3174.700000110R609R609-A611 VanDerWaalsContact C-N 3.29Å; R609-A611 PolarHBondContact O-N 2.62Å
612F80.4Confident89.6Confident9 Ų955 Ų554%0.03931%0.306CS..  trans-87.5123.8-174.7-79.4-141.4000110.4L64 W499 Y605 E608 A617 T618 M621L64-F612 WeakPolarHBondContact CD1-O 3.3Å; L64-F612 VanDerWaalsContact CD2-O 3.3Å; L64-F612 WeakPolarHBondContact CD2-O 3.48Å; W499-F612 HydrophobicContact CH2-CD2 4.17Å; W499-F612 AromaticContact CH2-CE2 3.28Å; W499-F612 HydrophobicContact CH2-CE2 3.28Å; W499-F612 AromaticContact CH2-CZ 3.62Å; W499-F612 HydrophobicContact CH2-CZ 3.62Å; W499-F612 HydrophobicContact CZ2-CD2 4.12Å; W499-F612 AromaticContact CZ2-CE2 3.48Å; W499-F612 HydrophobicContact CZ2-CE2 3.48Å; W499-F612 VanDerWaalsContact CZ2-CE2 3.48Å; W499-F612 HydrophobicContact CZ2-CZ 4.29Å; W499-F612 HydrophobicContact CZ3-CE2 4.34Å; W499-F612 HydrophobicContact CZ3-CZ 4.46Å; Y605-F612 HydrophobicContact CD1-CD1 4.49Å; Y605-F612 AromaticContact CD1-CE1 3.45Å; Y605-F612 HydrophobicContact CD1-CE1 3.45Å; Y605-F612 VanDerWaalsContact CD1-CE1 3.45Å; Y605-F612 AromaticContact CD1-CZ 3.89Å; Y605-F612 HydrophobicContact CD1-CZ 3.89Å; Y605-F612 AromaticContact CD2-CE1 3.71Å; Y605-F612 HydrophobicContact CD2-CE1 3.71Å; Y605-F612 HydrophobicContact CD2-CE2 4.34Å; Y605-F612 AromaticContact CD2-CZ 3.24Å; Y605-F612 HydrophobicContact CD2-CZ 3.24Å; Y605-F612 AromaticContact CE1-CE1 3.63Å; Y605-F612 HydrophobicContact CE1-CE1 3.63Å; Y605-F612 HydrophobicContact CE1-CZ 4.21Å; Y605-F612 AromaticContact CE2-CE1 3.86Å; Y605-F612 HydrophobicContact CE2-CE1 3.86Å; Y605-F612 AromaticContact CE2-CZ 3.6Å; Y605-F612 HydrophobicContact CE2-CZ 3.6Å; Y605-F612 AromaticContact CG-CE1 3.47Å; Y605-F612 HydrophobicContact CG-CE1 3.47Å; Y605-F612 VanDerWaalsContact CG-CE1 3.47Å; Y605-F612 HydrophobicContact CG-CE2 4.46Å; Y605-F612 AromaticContact CG-CZ 3.37Å; Y605-F612 HydrophobicContact CG-CZ 3.37Å; Y605-F612 AromaticContact CZ-CE1 3.82Å; E608-F612 HydrophobicContact CB-CD2 3.98Å; E608-F612 HydrophobicContact CB-CE2 3.98Å; E608-F612 HydrophobicContact CB-CG 4.32Å; E608-F612 HydrophobicContact CB-CZ 4.37Å; E608-F612 HydrophobicContact CG-CD1 3.94Å; E608-F612 HydrophobicContact CG-CD2 4.13Å; E608-F612 HydrophobicContact CG-CE1 4.16Å; E608-F612 HydrophobicContact CG-CE2 4.31Å; E608-F612 HydrophobicContact CG-CG 3.95Å; E608-F612 HydrophobicContact CG-CZ 4.36Å; E608-F612 VanDerWaalsContact OE2-CA 3.23Å; E608-F612 WeakPolarHBondContact OE2-CA 3.37Å; F612-A617 HydrophobicContact CD1-CB 3.92Å; F612-A617 HydrophobicContact CE1-CB 4.27Å; F612-T618 WeakPolarHBondContact CB-OG1 3.38Å; F612-M621 HydrophobicContact CD1-CB 4.44Å; F612-M621 HydrophobicContact CD1-SD 4.18Å; F612-M621 HydrophobicContact CE1-CB 3.94Å; F612-M621 HydrophobicContact CE1-CG 4.25Å; F612-M621 HydrophobicContact CE1-SD 3.82Å; F612-M621 HydrophobicContact CE2-SD 4.44Å; F612-M621 HydrophobicContact CZ-SD 3.93Å
613R78Confident89.2Confident169 Ų16954.6 Ų54.664%0.63831%0.313SS*.  trans-104.9-28.4179.3-65.3-172.8178.3-1751.7112.5E608E608-R613 PolarHBondContact OE2-N 2.91Å
614N83.4Confident89Confident92 Ų9253.1 Ų53.149%0.49231%0.308SS..  trans-81.6121.6179.1-167.5-57.6000110.5E608 A616 A617 T618E608-N614 WeakPolarHBondContact OE1-CB 3.16Å; E608-N614 PolarHBondContact OE1-N 3.42Å; N614-A616 PolarHBondContact O-N 3.18Å; N614-A616 WeakPolarHBondContact OD1-CA 3.37Å; N614-A616 VanDerWaalsContact OD1-CB 3.26Å; N614-A616 WeakPolarHBondContact OD1-CB 3.3Å; N614-A616 PolarHBondContact OD1-N 3.15Å; N614-A617 HydrophobicContact CB-CB 4.02Å; N614-A617 PolarHBondContact O-N 2.78Å; N614-A617 VanDerWaalsContact O-N 3.1Å; N614-T618 PolarHBondContact O-N 3.15Å; N614-T618 PolarHBondContact O-OG1 3.06Å
615A80.7Confident88.8Confident73 Ų7351.6 Ų51.660%0.60330%0.298SS*.Hα-helixtrans-56.5-37.1178.600000112.8T618 S619A615-T618 PolarHBondContact O-N 2.84Å; A615-S619 PolarHBondContact O-N 2.9Å; A615-S619 PolarHBondContact O-OG 2.73Å; A615-S619 VanDerWaalsContact O-OG 3.1Å
616A85.4Confident88.6Confident68 Ų6852.9 Ų52.956%0.56231%0.306SS*.Hα-helixtrans-68.3-38.7178.300000112.1N614 S619 H620N614-A616 PolarHBondContact O-N 3.18Å; N614-A616 WeakPolarHBondContact OD1-CA 3.37Å; N614-A616 VanDerWaalsContact OD1-CB 3.26Å; N614-A616 WeakPolarHBondContact OD1-CB 3.3Å; N614-A616 PolarHBondContact OD1-N 3.15Å; A616-S619 PolarHBondContact O-N 2.97Å; A616-H620 WeakPolarHBondContact O-CB 3.46Å; A616-H620 PolarHBondContact O-N 2.95Å
617A86.2Confident88.6Confident17 Ų1753 Ų5314%0.1431%0.308CS..Hα-helixtrans-64.4-43.5174.400000111.1Y605 E608 F612 N614 H620 M621Y605-A617 HydrophobicContact CD1-CB 4.15Å; E608-A617 HydrophobicContact CG-CB 3.84Å; E608-A617 VanDerWaalsContact OE1-CB 3.26Å; E608-A617 WeakPolarHBondContact OE1-CB 3.45Å; F612-A617 HydrophobicContact CD1-CB 3.92Å; F612-A617 HydrophobicContact CE1-CB 4.27Å; N614-A617 HydrophobicContact CB-CB 4.02Å; N614-A617 PolarHBondContact O-N 2.78Å; N614-A617 VanDerWaalsContact O-N 3.1Å; A617-H620 PolarHBondContact O-N 3.08Å; A617-M621 WeakPolarHBondContact O-CB 3.22Å; A617-M621 PolarHBondContact O-N 2.84Å
618T84.8Confident88.7Confident19 Ų1947.8 Ų47.812%0.11728%0.28CS..Hα-helixtrans-60.4-47.4175.2-60.20000111.7F612 N614 A615 H620 M621 F622F612-T618 WeakPolarHBondContact CB-OG1 3.38Å; N614-T618 PolarHBondContact O-N 3.15Å; N614-T618 PolarHBondContact O-OG1 3.06Å; A615-T618 PolarHBondContact O-N 2.84Å; T618-H620 PolarHBondContact O-N 2.96Å; T618-M621 WeakPolarHBondContact O-CB 3.19Å; T618-M621 PolarHBondContact O-N 2.81Å; T618-F622 HydrophobicContact CG2-CD2 3.77Å; T618-F622 HydrophobicContact CG2-CE2 3.45Å; T618-F622 VanDerWaalsContact CG2-CE2 3.45Å; T618-F622 VanDerWaalsContact O-CD2 3.24Å; T618-F622 WeakPolarHBondContact O-CD2 3.26Å; T618-F622 PolarHBondContact O-N 3.35Å
619S85.2Confident88.8Confident81 Ų8147.3 Ų47.357%0.56628%0.277SS*.Hα-helixtrans-60.4-43.7175.8-64.10000112.2A615 A616 M621 F622 A623A615-S619 PolarHBondContact O-N 2.9Å; A615-S619 PolarHBondContact O-OG 2.73Å; A615-S619 VanDerWaalsContact O-OG 3.1Å; A616-S619 PolarHBondContact O-N 2.97Å; S619-M621 VanDerWaalsContact C-N 3.35Å; S619-M621 PolarHBondContact O-N 3.34Å; S619-F622 PolarHBondContact O-N 3.27Å; S619-A623 WeakPolarHBondContact O-CB 3.24Å; S619-A623 PolarHBondContact O-N 3.01Å
620H93.1Very high88.8Confident97 Ų9750.7 Ų50.745%0.44930%0.3SS..Hα-helixtrans-63.3-40.9176.4-172-72.8000111.8A616 A617 T618 A623 T624A616-H620 WeakPolarHBondContact O-CB 3.46Å; A616-H620 PolarHBondContact O-N 2.95Å; A617-H620 PolarHBondContact O-N 3.08Å; T618-H620 PolarHBondContact O-N 2.96Å; H620-A623 PolarHBondContact O-N 2.77Å; H620-T624 PolarHBondContact CE1-OG1 3.44Å; H620-T624 PolarHBondContact ND1-OG1 3.14Å; H620-T624 WeakPolarHBondContact O-CB 3.44Å; H620-T624 PolarHBondContact O-N 2.82Å; H620-T624 PolarHBondContact O-OG1 3.06Å
621M92.4Very high88.9Confident7 Ų753.2 Ų53.23%0.03432%0.324CS..Hα-helixtrans-59-50.6175.2-174.8-170.166.700112.4W499 L573 Y605 F612 A617 T618 S619 A623 T624 I625W499-M621 HydrophobicContact CE3-SD 4.24Å; W499-M621 HydrophobicContact CH2-SD 4.03Å; W499-M621 HydrophobicContact CZ3-SD 3.5Å; W499-M621 VanDerWaalsContact CZ3-SD 3.5Å; L573-M621 HydrophobicContact CD1-CG 4.06Å; Y605-M621 HydrophobicContact CE1-CB 4.17Å; Y605-M621 WeakPolarHBondContact OH-CA 3.43Å; Y605-M621 VanDerWaalsContact OH-CB 3.3Å; Y605-M621 WeakPolarHBondContact OH-CB 3.38Å; F612-M621 HydrophobicContact CD1-CB 4.44Å; F612-M621 HydrophobicContact CD1-SD 4.18Å; F612-M621 HydrophobicContact CE1-CB 3.94Å; F612-M621 HydrophobicContact CE1-CG 4.25Å; F612-M621 HydrophobicContact CE1-SD 3.82Å; F612-M621 HydrophobicContact CE2-SD 4.44Å; F612-M621 HydrophobicContact CZ-SD 3.93Å; A617-M621 WeakPolarHBondContact O-CB 3.22Å; A617-M621 PolarHBondContact O-N 2.84Å; T618-M621 WeakPolarHBondContact O-CB 3.19Å; T618-M621 PolarHBondContact O-N 2.81Å; S619-M621 VanDerWaalsContact C-N 3.35Å; S619-M621 PolarHBondContact O-N 3.34Å; M621-A623 PolarHBondContact O-N 3.39Å; M621-T624 WeakPolarHBondContact O-CB 3.38Å; M621-T624 PolarHBondContact O-N 3.03Å; M621-I625 HydrophobicContact CG-CD1 4.05Å; M621-I625 WeakPolarHBondContact O-CG1 3.26Å; M621-I625 PolarHBondContact O-N 2.92Å
622F88.7Confident89.7Confident20 Ų2054.4 Ų54.49%0.08833%0.327CS..Hα-helixtrans-62-43.6176.8-74.1-59.3000112Y63 F433 M436 T618 S619 T624 I625 L626Y63-F622 AromaticContact CD1-CE2 3.75Å; Y63-F622 HydrophobicContact CD1-CE2 3.75Å; Y63-F622 HydrophobicContact CD1-CZ 4.2Å; Y63-F622 HydrophobicContact CE1-CE2 4.39Å; F433-F622 HydrophobicContact CD2-CE1 4.5Å; M436-F622 HydrophobicContact CE-CB 4.25Å; M436-F622 HydrophobicContact CE-CD1 3.58Å; M436-F622 HydrophobicContact CE-CE1 4.27Å; M436-F622 HydrophobicContact CE-CG 4.2Å; M436-F622 HydrophobicContact SD-CB 4.07Å; M436-F622 HydrophobicContact SD-CD1 4.25Å; M436-F622 HydrophobicContact SD-CG 4.29Å; T618-F622 HydrophobicContact CG2-CD2 3.77Å; T618-F622 HydrophobicContact CG2-CE2 3.45Å; T618-F622 VanDerWaalsContact CG2-CE2 3.45Å; T618-F622 VanDerWaalsContact O-CD2 3.24Å; T618-F622 WeakPolarHBondContact O-CD2 3.26Å; T618-F622 PolarHBondContact O-N 3.35Å; S619-F622 PolarHBondContact O-N 3.27Å; F622-T624 VanDerWaalsContact C-N 3.3Å; F622-T624 PolarHBondContact O-N 3.21Å; F622-I625 PolarHBondContact O-N 3.26Å; F622-L626 WeakPolarHBondContact O-CB 3.38Å; F622-L626 VanDerWaalsContact O-CG 3.28Å; F622-L626 WeakPolarHBondContact O-CG 3.47Å; F622-L626 PolarHBondContact O-N 2.98Å
623A90.1Very high90.4Very high57 Ų5755.7 Ų55.747%0.47133%0.334SS..Hα-helixtrans-59.1-40.4175.700000112.6S619 H620 M621 L626 S627S619-A623 WeakPolarHBondContact O-CB 3.24Å; S619-A623 PolarHBondContact O-N 3.01Å; H620-A623 PolarHBondContact O-N 2.77Å; M621-A623 PolarHBondContact O-N 3.39Å; A623-L626 PolarHBondContact O-N 2.86Å; A623-S627 WeakPolarHBondContact O-CB 3.34Å; A623-S627 PolarHBondContact O-N 3.14Å
624T94.1Very high91Very high29 Ų2950 Ų5018%0.17832%0.319CS..Hα-helixtrans-64.5-46.4177-55.60000111.3L571 L573 Q603 H620 M621 F622 S627 F628L571-T624 HydrophobicContact CD2-CG2 4.38Å; L573-T624 HydrophobicContact CD2-CG2 4.46Å; Q603-T624 HydrophobicContact CB-CG2 4.38Å; Q603-T624 HydrophobicContact CG-CG2 4.42Å; H620-T624 PolarHBondContact CE1-OG1 3.44Å; H620-T624 PolarHBondContact ND1-OG1 3.14Å; H620-T624 WeakPolarHBondContact O-CB 3.44Å; H620-T624 PolarHBondContact O-N 2.82Å; H620-T624 PolarHBondContact O-OG1 3.06Å; M621-T624 WeakPolarHBondContact O-CB 3.38Å; M621-T624 PolarHBondContact O-N 3.03Å; F622-T624 VanDerWaalsContact C-N 3.3Å; F622-T624 PolarHBondContact O-N 3.21Å; T624-S627 PolarHBondContact O-N 3.26Å; T624-F628 WeakPolarHBondContact O-CB 3.28Å; T624-F628 PolarHBondContact O-N 2.88Å
625I94.1Very high91.4Very high9 Ų947.8 Ų47.85%0.04631%0.31CS..Hα-helixtrans-59.3-48.5176.7-71.4169.3000110.4Y437 M497 I521 L573 M621 F622 F628 L629Y437-I625 HydrophobicContact CE1-CG2 4.06Å; M497-I625 HydrophobicContact SD-CD1 4.46Å; M497-I625 HydrophobicContact SD-CG2 3.83Å; I521-I625 HydrophobicContact CD1-CG2 3.89Å; I521-I625 HydrophobicContact CG2-CG1 4.23Å; L573-I625 HydrophobicContact CD1-CD1 3.74Å; L573-I625 HydrophobicContact CD1-CG1 3.73Å; M621-I625 HydrophobicContact CG-CD1 4.05Å; M621-I625 WeakPolarHBondContact O-CG1 3.26Å; M621-I625 PolarHBondContact O-N 2.92Å; F622-I625 PolarHBondContact O-N 3.26Å; I625-F628 PolarHBondContact O-N 3.19Å; I625-L629 HydrophobicContact CG2-CD1 3.87Å; I625-L629 HydrophobicContact CG2-CG 4.47Å; I625-L629 WeakPolarHBondContact O-CG 3.35Å; I625-L629 PolarHBondContact O-N 3.47Å
626L92.7Very high92Very high39 Ų3946.4 Ų46.420%0.20429%0.293CS..Hα-helixtrans-62.3-45.7-179.7-71.3-176.7000112.2M436 Y437 L440 F622 A623 F628 L629 D630M436-L626 HydrophobicContact CE-CD1 4.19Å; M436-L626 HydrophobicContact CE-CD2 3.75Å; M436-L626 HydrophobicContact CE-CG 3.96Å; M436-L626 HydrophobicContact CG-CD1 4.04Å; M436-L626 HydrophobicContact CG-CD2 4.37Å; M436-L626 HydrophobicContact SD-CD1 3.64Å; M436-L626 HydrophobicContact SD-CD2 4.26Å; M436-L626 HydrophobicContact SD-CG 4.09Å; Y437-L626 HydrophobicContact CD1-CD2 3.88Å; Y437-L626 HydrophobicContact CE1-CD2 3.81Å; L440-L626 HydrophobicContact CD1-CD1 3.79Å; L440-L626 HydrophobicContact CD1-CD2 3.32Å; L440-L626 HydrophobicContact CD1-CG 4.08Å; F622-L626 WeakPolarHBondContact O-CB 3.38Å; F622-L626 VanDerWaalsContact O-CG 3.28Å; F622-L626 WeakPolarHBondContact O-CG 3.47Å; F622-L626 PolarHBondContact O-N 2.98Å; A623-L626 PolarHBondContact O-N 2.86Å; L626-F628 VanDerWaalsContact C-N 3.3Å; L626-F628 PolarHBondContact O-N 3.13Å; L626-L629 PolarHBondContact O-N 2.62Å; L626-D630 WeakPolarHBondContact O-CB 3.45Å; L626-D630 PolarHBondContact O-N 3.45Å
627S95.4Very high92.4Very high80 Ų8045.1 Ų45.156%0.55928%0.278SS*.Hα-helixtrans-62.5-37.9176.61780000112A623 T624 A631A623-S627 WeakPolarHBondContact O-CB 3.34Å; A623-S627 PolarHBondContact O-N 3.14Å; T624-S627 PolarHBondContact O-N 3.26Å; S627-A631 WeakPolarHBondContact O-CB 3.21Å; S627-A631 PolarHBondContact O-N 3.15Å; S627-A631 VanDerWaalsContact O-N 3.12Å
628F96.9Very high92.8Very high17 Ų1746.9 Ų46.98%0.07529%0.286CS..Hα-helixtrans-68-40.8176.6-177-95.4000112.3V519 I521 G568 L571 T624 I625 L626 N632V519-F628 HydrophobicContact CB-CE1 3.96Å; V519-F628 HydrophobicContact CG1-CE1 4.25Å; V519-F628 HydrophobicContact CG2-CE1 4.28Å; I521-F628 HydrophobicContact CD1-CD1 3.91Å; I521-F628 HydrophobicContact CD1-CE1 4.47Å; I521-F628 HydrophobicContact CG1-CD1 3.93Å; I521-F628 HydrophobicContact CG1-CE1 4.04Å; G568-F628 WeakPolarHBondContact O-CZ 3.34Å; L571-F628 HydrophobicContact CB-CD1 3.99Å; L571-F628 HydrophobicContact CB-CD2 4.01Å; L571-F628 HydrophobicContact CB-CE1 3.84Å; L571-F628 HydrophobicContact CB-CE2 3.88Å; L571-F628 HydrophobicContact CB-CG 4.06Å; L571-F628 HydrophobicContact CB-CZ 3.8Å; L571-F628 HydrophobicContact CD2-CB 3.82Å; L571-F628 HydrophobicContact CD2-CD1 4.1Å; L571-F628 HydrophobicContact CD2-CD2 4.24Å; L571-F628 HydrophobicContact CD2-CG 3.79Å; L571-F628 HydrophobicContact CG-CG 4.48Å; T624-F628 WeakPolarHBondContact O-CB 3.28Å; T624-F628 PolarHBondContact O-N 2.88Å; I625-F628 PolarHBondContact O-N 3.19Å; L626-F628 VanDerWaalsContact C-N 3.3Å; L626-F628 PolarHBondContact O-N 3.13Å; F628-N632 WeakPolarHBondContact O-CB 3.4Å; F628-N632 PolarHBondContact O-N 3.32Å; F628-N632 PolarHBondContact O-ND2 3.46Å
629L96.1Very high93.4Very high1 Ų148.7 Ų48.71%0.00530%0.298CS..Hα-helixtrans-63.6-51.8175.4-71.3167.7000110.9I412 Y437 A495 V519 I521 I625 L626 A631 N632 L633I412-L629 HydrophobicContact CD1-CD1 3.76Å; Y437-L629 HydrophobicContact CD1-CD1 4.11Å; Y437-L629 HydrophobicContact CE1-CD1 3.87Å; A495-L629 HydrophobicContact CB-CD2 3.71Å; V519-L629 HydrophobicContact CG2-CD2 4.37Å; I521-L629 HydrophobicContact CD1-CD1 4.49Å; I521-L629 HydrophobicContact CD1-CD2 3.94Å; I521-L629 HydrophobicContact CD1-CG 3.98Å; I625-L629 HydrophobicContact CG2-CD1 3.87Å; I625-L629 HydrophobicContact CG2-CG 4.47Å; I625-L629 WeakPolarHBondContact O-CG 3.35Å; I625-L629 PolarHBondContact O-N 3.47Å; L626-L629 PolarHBondContact O-N 2.62Å; L629-A631 VanDerWaalsContact C-N 3.27Å; L629-A631 PolarHBondContact O-N 3Å; L629-N632 PolarHBondContact O-N 3.3Å; L629-N632 VanDerWaalsContact O-N 3.13Å; L629-L633 HydrophobicContact CD2-CD2 3.99Å; L629-L633 WeakPolarHBondContact O-CB 3.43Å; L629-L633 PolarHBondContact O-N 3.09Å
630D94Very high93.9Very high131 Ų13146.4 Ų46.470%0.70128%0.278SS*.Hα-helixtrans-56.3-39.1180-174.264000112.9L626L626-D630 WeakPolarHBondContact O-CB 3.45Å; L626-D630 PolarHBondContact O-N 3.45Å
631A96.1Very high94Very high75 Ų7542.5 Ų42.562%0.6227%0.265SS*.Hα-helixtrans-78.1-22.3-179.400000114.6S627 L629S627-A631 WeakPolarHBondContact O-CB 3.21Å; S627-A631 PolarHBondContact O-N 3.15Å; S627-A631 VanDerWaalsContact O-N 3.12Å; L629-A631 VanDerWaalsContact C-N 3.27Å; L629-A631 PolarHBondContact O-N 3Å
632N96.9Very high94.1Very high52 Ų5245.5 Ų45.528%0.27828%0.284SS..Hα-helixtrans-129.2-4.2-165.6-58.6-77.9000115.5V519 G568 F628 L629V519-N632 HydrophobicContact CG1-CB 3.81Å; G568-N632 VanDerWaalsContact CA-OD1 3.25Å; G568-N632 WeakPolarHBondContact CA-OD1 3.14Å; G568-N632 WeakPolarHBondContact O-CB 3.24Å; F628-N632 WeakPolarHBondContact O-CB 3.4Å; F628-N632 PolarHBondContact O-N 3.32Å; F628-N632 PolarHBondContact O-ND2 3.46Å; L629-N632 PolarHBondContact O-N 3.3Å; L629-N632 VanDerWaalsContact O-N 3.13Å
633L94.7Very high94.6Very high36 Ų3647.8 Ų47.819%0.18830%0.302CS..  trans-130.50-176.7-165.669000112.3P410 Y442 R493 A495 K518 V519 L629P410-L633 HydrophobicContact CB-CD2 4.38Å; P410-L633 HydrophobicContact CB-CG 4.34Å; Y442-L633 HydrophobicContact CD1-CD2 4.28Å; Y442-L633 HydrophobicContact CE1-CD2 3.9Å; R493-L633 VanDerWaalsContact C-CD1 3.42Å; R493-L633 HydrophobicContact CB-CD1 4.02Å; R493-L633 HydrophobicContact CB-CG 4.24Å; R493-L633 WeakPolarHBondContact CD-O 3.49Å; R493-L633 WeakPolarHBondContact CG-O 3.45Å; A495-L633 HydrophobicContact CB-CD2 3.73Å; K518-L633 HydrophobicContact CB-CD1 3.74Å; K518-L633 HydrophobicContact CG-CD1 3.84Å; V519-L633 HydrophobicContact CG2-CD1 4.31Å; L629-L633 HydrophobicContact CD2-CD2 3.99Å; L629-L633 WeakPolarHBondContact O-CB 3.43Å; L629-L633 PolarHBondContact O-N 3.09Å

Retrieved 633 of 633 residues in 251.3 ms (Link to these results)

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