A0A087Y9J6_POEFO Loading...

Cilia- and flagella-associated protein 410

Plays a role in cilia formation and/or maintenance. Plays a role in the regulation of cell morphology and cytoskeletal organization. Involved in DNA damage repair.

AlphaFold DB , UniProt , Accession A0A087Y9J6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 260 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
1M85.7Confident88.5Confident115 Ų11579 Ų7957%0.56739%0.387SS*.  0143.90179.8-179.7169.100109.1L7 N29 L30 T31 D32M1-L7 HydrophobicContact CE-CD2 3.94Å; M1-N29 VanDerWaalsContact CB-O 3.24Å; M1-N29 WeakPolarHBondContact CB-O 3.15Å; M1-N29 PolarHBondContact N-O 3.46Å; M1-L30 WeakPolarHBondContact O-CA 3.33Å; M1-T31 PolarHBondContact N-OG1 2.6Å; M1-T31 PolarHBondContact O-N 2.94Å; M1-T31 PolarHBondContact O-OG1 2.87Å; M1-D32 PolarHBondContact O-N 3.1Å
2K88.5Confident88.5Confident115 Ų11574.7 Ų74.750%0.537%0.373SS..BIsolated β-bridgetrans-95.4132.9178-178.4172-174.5128.90111T4 D32 S34K2-T4 PolarHBondContact O-N 3.21Å; K2-D32 HydrophobicContact CB-CB 4.14Å; K2-D32 WeakPolarHBondContact CD-OD2 3.24Å; K2-D32 WeakPolarHBondContact CE-OD2 3.29Å; K2-D32 HydrophobicContact CG-CB 4.02Å; K2-D32 WeakPolarHBondContact CG-OD2 3.46Å; K2-D32 IonicContact NZ-OD2 2.73Å; K2-D32 PolarHBondContact NZ-OD2 3.02Å; K2-S34 PolarHBondContact NZ-OG 3.24Å
3L87.9Confident88.3Confident2 Ų284.5 Ų84.51%0.0141%0.412CS..  trans-77.1110.5173.3-17359.1000109.6L7 V8 L23 L30 D32 I35 F36L3-L7 HydrophobicContact CD1-CB 4.4Å; L3-L7 HydrophobicContact CD1-CD2 3.89Å; L3-L7 HydrophobicContact CD1-CG 4.18Å; L3-V8 HydrophobicContact CD1-CG2 3.87Å; L3-V8 HydrophobicContact CD2-CG2 3.82Å; L3-V8 HydrophobicContact CG-CG2 3.56Å; L3-L23 HydrophobicContact CD2-CD2 4.22Å; L3-L30 HydrophobicContact CB-CD1 4.32Å; L3-L30 HydrophobicContact CB-CD2 3.93Å; L3-L30 HydrophobicContact CD1-CD1 4.42Å; L3-L30 HydrophobicContact CD1-CD2 4.37Å; L3-L30 HydrophobicContact CD2-CD1 4.18Å; L3-D32 PolarHBondContact N-O 2.93Å; L3-I35 HydrophobicContact CB-CG2 4.07Å; L3-I35 HydrophobicContact CD2-CG2 3.84Å; L3-I35 HydrophobicContact CG-CG2 3.94Å; L3-F36 HydrophobicContact CD2-CE1 4.19Å; L3-F36 HydrophobicContact CD2-CE2 3.95Å; L3-F36 HydrophobicContact CD2-CZ 3.48Å; L3-F36 VanDerWaalsContact CD2-CZ 3.48Å
4T90.1Very high88.1Confident71 Ų7179.9 Ų79.944%0.43640%0.395SS..  trans-92.7153.6-178.263.40000111.9K2 K6 L7 V8K2-T4 PolarHBondContact O-N 3.21Å; T4-K6 VanDerWaalsContact C-N 3.26Å; T4-K6 PolarHBondContact O-N 3.37Å; T4-L7 PolarHBondContact O-N 3.15Å; T4-L7 PolarHBondContact OG1-N 2.94Å; T4-V8 WeakPolarHBondContact O-CG2 3.49Å; T4-V8 PolarHBondContact O-N 3.42Å
5R90.6Very high87.9Confident128 Ų12882.7 Ų82.748%0.48343%0.425SS..Hα-helixtrans-49.9-45.6175.5179.8170.2-168.9-1484.9112.3L7 V8 L9 D16 L17 I35R5-L7 VanDerWaalsContact C-N 3.33Å; R5-L7 PolarHBondContact O-N 3.26Å; R5-V8 PolarHBondContact O-N 2.93Å; R5-L9 HydrophobicContact CG-CD1 3.85Å; R5-L9 HydrophobicContact CG-CG 4.23Å; R5-L9 VanDerWaalsContact O-CG 3.32Å; R5-L9 WeakPolarHBondContact O-CG 3.32Å; R5-L9 PolarHBondContact O-N 3.34Å; R5-D16 IonicContact NH2-OD1 2.98Å; R5-D16 PolarHBondContact NH2-OD1 3.01Å; R5-L17 HydrophobicContact CB-CD1 4.44Å; R5-L17 HydrophobicContact CG-CD1 3.84Å; R5-L17 HydrophobicContact CG-CD2 4.13Å; R5-L17 HydrophobicContact CG-CG 4.05Å; R5-I35 HydrophobicContact CB-CD1 4.39Å
6K88.1Confident88Confident182 Ų18281.3 Ų81.379%0.79142%0.418SS*.Hα-helixtrans-58.4-43.7178.7-68.5-175.6178.5-179.80112.1T4 A10T4-K6 VanDerWaalsContact C-N 3.26Å; T4-K6 PolarHBondContact O-N 3.37Å; K6-A10 VanDerWaalsContact O-CB 3.29Å; K6-A10 WeakPolarHBondContact O-CB 3.17Å; K6-A10 PolarHBondContact O-N 3.49Å
7L87.4Confident87.9Confident51 Ų5176.8 Ų76.827%0.26740%0.396SS..Hα-helixtrans-68.7-38.5179.6-173.261.2000111.8M1 L3 T4 R5 K11M1-L7 HydrophobicContact CE-CD2 3.94Å; L3-L7 HydrophobicContact CD1-CB 4.4Å; L3-L7 HydrophobicContact CD1-CD2 3.89Å; L3-L7 HydrophobicContact CD1-CG 4.18Å; T4-L7 PolarHBondContact O-N 3.15Å; T4-L7 PolarHBondContact OG1-N 2.94Å; R5-L7 VanDerWaalsContact C-N 3.33Å; R5-L7 PolarHBondContact O-N 3.26Å; L7-K11 HydrophobicContact CD1-CD 4.46Å; L7-K11 HydrophobicContact CD1-CG 4.45Å; L7-K11 HydrophobicContact CG-CD 4.35Å; L7-K11 WeakPolarHBondContact O-CB 3.17Å; L7-K11 WeakPolarHBondContact O-CG 3.42Å; L7-K11 PolarHBondContact O-N 2.96Å
8V89.9Confident87.9Confident0 Ų079.8 Ų79.80%041%0.408CS..Hα-helixtrans-62.2-52.6175.5175.40000110.7L3 T4 R5 A10 K11 A12 L17 V20 L23 I35 M39L3-V8 HydrophobicContact CD1-CG2 3.87Å; L3-V8 HydrophobicContact CD2-CG2 3.82Å; L3-V8 HydrophobicContact CG-CG2 3.56Å; T4-V8 WeakPolarHBondContact O-CG2 3.49Å; T4-V8 PolarHBondContact O-N 3.42Å; R5-V8 PolarHBondContact O-N 2.93Å; V8-A10 VanDerWaalsContact C-N 3.3Å; V8-A10 PolarHBondContact O-N 3.02Å; V8-K11 PolarHBondContact O-N 3.39Å; V8-A12 VanDerWaalsContact O-CB 3.26Å; V8-A12 WeakPolarHBondContact O-CB 3.2Å; V8-A12 PolarHBondContact O-N 3.22Å; V8-L17 HydrophobicContact CB-CD2 4.02Å; V8-L17 HydrophobicContact CG1-CD2 3.61Å; V8-V20 HydrophobicContact CG1-CG2 4.48Å; V8-L23 HydrophobicContact CG1-CD1 4.41Å; V8-L23 HydrophobicContact CG1-CD2 4.2Å; V8-L23 HydrophobicContact CG2-CD2 4.38Å; V8-I35 HydrophobicContact CG2-CG1 4.49Å; V8-I35 HydrophobicContact CG2-CG2 4.29Å; V8-M39 HydrophobicContact CG1-CE 3.73Å; V8-M39 HydrophobicContact CG1-SD 3.91Å
9L89.9Confident88Confident36 Ų3679.3 Ų79.319%0.18841%0.412CS..Hα-helixtrans-60.7-40.8-179.5-65176.5000111.5R5 K13 A14 L17R5-L9 HydrophobicContact CG-CD1 3.85Å; R5-L9 HydrophobicContact CG-CG 4.23Å; R5-L9 VanDerWaalsContact O-CG 3.32Å; R5-L9 WeakPolarHBondContact O-CG 3.32Å; R5-L9 PolarHBondContact O-N 3.34Å; L9-K13 WeakPolarHBondContact O-CA 3.46Å; L9-K13 PolarHBondContact O-N 2.73Å; L9-A14 HydrophobicContact CD2-CB 4.35Å; L9-A14 WeakPolarHBondContact CD2-O 3.42Å; L9-A14 PolarHBondContact O-N 3.24Å; L9-A14 VanDerWaalsContact O-N 3.15Å; L9-L17 HydrophobicContact CD2-CD2 3.91Å; L9-L17 HydrophobicContact CD2-CG 4.28Å; L9-L17 HydrophobicContact CG-CD2 4.24Å
10A87.8Confident88.2Confident71 Ų7175.6 Ų75.659%0.58739%0.393SS*.Hα-helixtrans-63.9-44.9175.600000112.6K6 V8K6-A10 VanDerWaalsContact O-CB 3.29Å; K6-A10 WeakPolarHBondContact O-CB 3.17Å; K6-A10 PolarHBondContact O-N 3.49Å; V8-A10 VanDerWaalsContact C-N 3.3Å; V8-A10 PolarHBondContact O-N 3.02Å
11K87.6Confident88.5Confident98 Ų9877.2 Ų77.243%0.42640%0.397SS..Hα-helixtrans-70.1-38.9179.2-81.7-176.2165.3-73.70112.9L7 V8 K13 L23L7-K11 HydrophobicContact CD1-CD 4.46Å; L7-K11 HydrophobicContact CD1-CG 4.45Å; L7-K11 HydrophobicContact CG-CD 4.35Å; L7-K11 WeakPolarHBondContact O-CB 3.17Å; L7-K11 WeakPolarHBondContact O-CG 3.42Å; L7-K11 PolarHBondContact O-N 2.96Å; V8-K11 PolarHBondContact O-N 3.39Å; K11-K13 VanDerWaalsContact C-N 3.31Å; K11-L23 HydrophobicContact CB-CD1 3.92Å
12A88.1Confident89Confident27 Ų2778.5 Ų78.522%0.22340%0.399CS..Hα-helixtrans-81.7-10.1179.900000113.3V8 A14 V20 L23V8-A12 VanDerWaalsContact O-CB 3.26Å; V8-A12 WeakPolarHBondContact O-CB 3.2Å; V8-A12 PolarHBondContact O-N 3.22Å; A12-A14 HydrophobicContact CB-CB 3.96Å; A12-A14 PolarHBondContact O-N 3.34Å; A12-V20 HydrophobicContact CB-CB 4.34Å; A12-V20 HydrophobicContact CB-CG1 3.68Å; A12-V20 HydrophobicContact CB-CG2 3.73Å; A12-L23 HydrophobicContact CB-CD1 4.17Å
13K86.4Confident89.3Confident203 Ų20373.3 Ų73.388%0.88338%0.377SS*.THydrogen-bonded Turntrans49.340.6-169.6-59.3-179.4179.7179.20111.7L9 K11L9-K13 WeakPolarHBondContact O-CA 3.46Å; L9-K13 PolarHBondContact O-N 2.73Å; K11-K13 VanDerWaalsContact C-N 3.31Å
14A85.8Confident89.6Confident20 Ų2077.7 Ų77.717%0.16540%0.4CS..  trans-110146.6-175.300000110.3L9 A12 V20L9-A14 HydrophobicContact CD2-CB 4.35Å; L9-A14 WeakPolarHBondContact CD2-O 3.42Å; L9-A14 PolarHBondContact O-N 3.24Å; L9-A14 VanDerWaalsContact O-N 3.15Å; A12-A14 HydrophobicContact CB-CB 3.96Å; A12-A14 PolarHBondContact O-N 3.34Å; A14-V20 HydrophobicContact CB-CG2 3.52Å
15S84.4Confident89.8Confident122 Ų12274.3 Ų74.385%0.85338%0.38SS*.SBendtrans-80.2-27.8175.5-50.10000111.9
16D89.1Confident90Very high59 Ų5975.7 Ų75.732%0.31639%0.385SS..SBendtrans-144.5154179.4-170.944.7000113.4R5 E18 S19R5-D16 IonicContact NH2-OD1 2.98Å; R5-D16 PolarHBondContact NH2-OD1 3.01Å; D16-E18 VanDerWaalsContact C-N 3.35Å; D16-E18 PolarHBondContact O-N 2.98Å; D16-E18 PolarHBondContact OD2-N 3.34Å; D16-S19 PolarHBondContact O-N 3.3Å; D16-S19 PolarHBondContact O-OG 3.22Å
17L87.6Confident90.2Very high6 Ų668.7 Ų68.73%0.03137%0.365CS..G310 helixtrans-66.5-34.3-174.7-70.4-180000112.8R5 V8 L9 S19 V20 I35 Q38 M39R5-L17 HydrophobicContact CB-CD1 4.44Å; R5-L17 HydrophobicContact CG-CD1 3.84Å; R5-L17 HydrophobicContact CG-CD2 4.13Å; R5-L17 HydrophobicContact CG-CG 4.05Å; V8-L17 HydrophobicContact CB-CD2 4.02Å; V8-L17 HydrophobicContact CG1-CD2 3.61Å; L9-L17 HydrophobicContact CD2-CD2 3.91Å; L9-L17 HydrophobicContact CD2-CG 4.28Å; L9-L17 HydrophobicContact CG-CD2 4.24Å; L17-S19 PolarHBondContact O-N 3.06Å; L17-V20 PolarHBondContact O-N 3.15Å; L17-I35 HydrophobicContact CD1-CD1 3.95Å; L17-I35 HydrophobicContact CD1-CG1 4.41Å; L17-Q38 HydrophobicContact CD1-CB 4.39Å; L17-M39 HydrophobicContact CB-CG 4.1Å; L17-M39 HydrophobicContact CD2-CG 4.39Å; L17-M39 HydrophobicContact CD2-SD 4.25Å
18E87.8Confident90.5Very high131 Ų13167.4 Ų67.461%0.61236%0.359SS*.G310 helixtrans-69.2-21.2-179.6-65.1-175.8-177.700112.8D16 S41D16-E18 VanDerWaalsContact C-N 3.35Å; D16-E18 PolarHBondContact O-N 2.98Å; D16-E18 PolarHBondContact OD2-N 3.34Å; E18-S41 WeakPolarHBondContact O-CB 3.48Å; E18-S41 PolarHBondContact O-OG 2.98Å
19S89Confident90.6Very high70 Ų7072.3 Ų72.349%0.4939%0.386SS..G310 helixtrans-84.7-11.2178.771.80000113.5D16 L17 K21D16-S19 PolarHBondContact O-N 3.3Å; D16-S19 PolarHBondContact O-OG 3.22Å; L17-S19 PolarHBondContact O-N 3.06Å; S19-K21 PolarHBondContact O-N 2.85Å; S19-K21 VanDerWaalsContact O-N 3.17Å
20V93.1Very high90.7Very high4 Ų470.6 Ų70.62%0.02438%0.377CS..  trans-76.7107.8-174.6-179.50000110.3V8 A12 A14 L17 L23 M39 I42V8-V20 HydrophobicContact CG1-CG2 4.48Å; A12-V20 HydrophobicContact CB-CB 4.34Å; A12-V20 HydrophobicContact CB-CG1 3.68Å; A12-V20 HydrophobicContact CB-CG2 3.73Å; A14-V20 HydrophobicContact CB-CG2 3.52Å; L17-V20 PolarHBondContact O-N 3.15Å; V20-L23 HydrophobicContact CG1-CB 4.37Å; V20-M39 HydrophobicContact CB-CE 3.55Å; V20-M39 HydrophobicContact CG1-CE 3.46Å; V20-M39 VanDerWaalsContact CG1-CE 3.46Å; V20-M39 HydrophobicContact CG2-CE 4.11Å; V20-I42 WeakPolarHBondContact O-CA 3.36Å
21K94Very high91Very high111 Ų11171 Ų7148%0.48337%0.372SS..  trans-92.7-31.2176.6-66.3-177.6165.7-130.50113.9S19 E43 V44S19-K21 PolarHBondContact O-N 2.85Å; S19-K21 VanDerWaalsContact O-N 3.17Å; K21-E43 HydrophobicContact CB-CG 4.43Å; K21-E43 WeakPolarHBondContact CD-OE1 3.35Å; K21-E43 WeakPolarHBondContact CE-OE1 3.45Å; K21-E43 IonicContact NZ-OE1 3.12Å; K21-E43 PolarHBondContact NZ-OE1 2.95Å; K21-E43 WeakPolarHBondContact O-CA 3.37Å; K21-E43 PolarHBondContact O-N 2.99Å; K21-V44 PolarHBondContact O-N 3.38Å
22K95.2Very high91.2Very high141 Ų14168.6 Ų68.661%0.61336%0.364SS*.EExtended strand (participates in β ladder)trans-132.5130.2-175.5-55.5-168.9179.1-178.30109.6V44K22-V44 WeakPolarHBondContact CA-O 3.48Å; K22-V44 HydrophobicContact CB-CB 4.41Å; K22-V44 HydrophobicContact CD-CB 4.42Å; K22-V44 HydrophobicContact CD-CG2 4.4Å; K22-V44 HydrophobicContact CG-CB 4.03Å; K22-V44 HydrophobicContact CG-CG2 4.29Å
23L95.3Very high91.5Very high7 Ų767.6 Ų67.64%0.03735%0.354CS..EExtended strand (participates in β ladder)trans-137.7132.2176.2-171.268.6000111.3L3 V8 K11 A12 V20 F36 I42 V44 L45 T46L3-L23 HydrophobicContact CD2-CD2 4.22Å; V8-L23 HydrophobicContact CG1-CD1 4.41Å; V8-L23 HydrophobicContact CG1-CD2 4.2Å; V8-L23 HydrophobicContact CG2-CD2 4.38Å; K11-L23 HydrophobicContact CB-CD1 3.92Å; A12-L23 HydrophobicContact CB-CD1 4.17Å; V20-L23 HydrophobicContact CG1-CB 4.37Å; L23-F36 HydrophobicContact CD2-CE1 3.6Å; L23-F36 HydrophobicContact CD2-CZ 3.88Å; L23-I42 HydrophobicContact CB-CD1 3.94Å; L23-V44 PolarHBondContact N-O 3.25Å; L23-L45 HydrophobicContact CB-CD1 4.12Å; L23-L45 HydrophobicContact CD2-CD1 4.37Å; L23-T46 PolarHBondContact O-N 3.47Å
24N94.8Very high91.8Very high94 Ų9459.8 Ų59.850%0.50333%0.325SS..EExtended strand (participates in β ladder)trans-114.2113.9173-173.7-11.6000110.8W26N24-W26 VanDerWaalsContact OD1-CB 3.29Å; N24-W26 WeakPolarHBondContact OD1-CB 3.26Å; N24-W26 PolarHBondContact OD1-N 2.89Å
25C93.4Very high92.1Very high0 Ų059.6 Ų59.60%032%0.322CS..  trans-125.336.6177.8-73.20000111.2L30 T46 L47 N50C25-L30 HydrophobicContact CB-CD1 3.69Å; C25-T46 CarbonylContact C-O 3.54Å; C25-T46 WeakPolarHBondContact CA-O 3.21Å; C25-T46 PolarHBondContact N-O 3.3Å; C25-L47 HydrophobicContact CB-CD2 3.83Å; C25-N50 PolarHBondContact O-ND2 2.85Å
26W94.9Very high92.5Very high157 Ų15753.8 Ų53.860%0.59528%0.281SS*.THydrogen-bonded Turntrans-60.1136.3174-172.889.5000111.7N24 C28 T46 S48 V49N24-W26 VanDerWaalsContact OD1-CB 3.29Å; N24-W26 WeakPolarHBondContact OD1-CB 3.26Å; N24-W26 PolarHBondContact OD1-N 2.89Å; W26-C28 VanDerWaalsContact C-N 3.27Å; W26-C28 PolarHBondContact O-N 3.47Å; W26-C28 PolarHBondContact O-SG 3.01Å; W26-C28 VanDerWaalsContact O-SG 3.34Å; W26-T46 HydrophobicContact CB-CG2 4.34Å; W26-S48 WeakPolarHBondContact CA-O 3.47Å; W26-V49 HydrophobicContact CZ2-CB 4.48Å; W26-V49 HydrophobicContact CZ2-CG2 3.92Å
27G93.1Very high92.6Very high35 Ų3554.6 Ų54.636%0.36129%0.291SS..THydrogen-bonded Turntrans63.227.6170.900000114.9S48 V49G27-S48 PolarHBondContact N-O 2.82Å; G27-S48 VanDerWaalsContact N-O 3.15Å; G27-V49 WeakPolarHBondContact CA-O 3.47Å; G27-V49 PolarHBondContact N-O 3.2Å
28C92.6Very high92.7Very high23 Ų2359.7 Ų59.716%0.15532%0.315CS..SBendtrans-97.29.5-173.8-70.60000113.2W26 L30 N50W26-C28 VanDerWaalsContact C-N 3.27Å; W26-C28 PolarHBondContact O-N 3.47Å; W26-C28 PolarHBondContact O-SG 3.01Å; W26-C28 VanDerWaalsContact O-SG 3.34Å; C28-L30 HydrophobicContact CB-CD1 4.16Å; C28-L30 HydrophobicContact CB-CD2 4.11Å; C28-L30 HydrophobicContact CB-CG 3.72Å; C28-L30 PolarHBondContact O-N 3.32Å; C28-L30 VanDerWaalsContact O-N 3.1Å; C28-N50 VanDerWaalsContact C-OD1 3.3Å; C28-N50 WeakPolarHBondContact CA-OD1 3.43Å; C28-N50 PolarHBondContact N-OD1 2.7Å
29N92.5Very high93Very high104 Ų10453.5 Ų53.556%0.55629%0.286SS*.  trans47.937.2-176.3-64.82.5000113.2M1 N50M1-N29 VanDerWaalsContact CB-O 3.24Å; M1-N29 WeakPolarHBondContact CB-O 3.15Å; M1-N29 PolarHBondContact N-O 3.46Å; N29-N50 PolarHBondContact N-OD1 3.1Å
30L93.4Very high93.1Very high0 Ų052.9 Ų52.90%028%0.28CS..  trans-71.6133.9-177.7-63.1179.7000110.6M1 L3 C25 C28 I33 L47 N50 N51 I52M1-L30 WeakPolarHBondContact O-CA 3.33Å; L3-L30 HydrophobicContact CB-CD1 4.32Å; L3-L30 HydrophobicContact CB-CD2 3.93Å; L3-L30 HydrophobicContact CD1-CD1 4.42Å; L3-L30 HydrophobicContact CD1-CD2 4.37Å; L3-L30 HydrophobicContact CD2-CD1 4.18Å; C25-L30 HydrophobicContact CB-CD1 3.69Å; C28-L30 HydrophobicContact CB-CD1 4.16Å; C28-L30 HydrophobicContact CB-CD2 4.11Å; C28-L30 HydrophobicContact CB-CG 3.72Å; C28-L30 PolarHBondContact O-N 3.32Å; C28-L30 VanDerWaalsContact O-N 3.1Å; L30-I33 HydrophobicContact CB-CG2 4.49Å; L30-L47 HydrophobicContact CD1-CD2 3.94Å; L30-N50 HydrophobicContact CB-CB 4.16Å; L30-N50 WeakPolarHBondContact CB-OD1 3.35Å; L30-N50 PolarHBondContact N-OD1 3.04Å; L30-N51 CarbonylContact O-C 3.27Å; L30-N51 VanDerWaalsContact O-C 3.25Å; L30-N51 WeakPolarHBondContact O-CA 3.27Å; L30-N51 PolarHBondContact O-N 3.22Å; L30-I52 PolarHBondContact O-N 3.37Å
31T92.6Very high93.1Very high78 Ų7854.7 Ų54.748%0.47929%0.293SS..  trans-119.9-34.7174.251.80000110.9M1 N51M1-T31 PolarHBondContact N-OG1 2.6Å; M1-T31 PolarHBondContact O-N 2.94Å; M1-T31 PolarHBondContact O-OG1 2.87Å; T31-N51 HydrophobicContact CG2-CB 3.72Å
32D92.4Very high93.2Very high49 Ų4949.4 Ų49.426%0.26227%0.27SS..BIsolated β-bridgetrans-112.5116.8179.3178.70.8000110.1M1 K2 L3 S34M1-D32 PolarHBondContact O-N 3.1Å; K2-D32 HydrophobicContact CB-CB 4.14Å; K2-D32 WeakPolarHBondContact CD-OD2 3.24Å; K2-D32 WeakPolarHBondContact CE-OD2 3.29Å; K2-D32 HydrophobicContact CG-CB 4.02Å; K2-D32 WeakPolarHBondContact CG-OD2 3.46Å; K2-D32 IonicContact NZ-OD2 2.73Å; K2-D32 PolarHBondContact NZ-OD2 3.02Å; L3-D32 PolarHBondContact N-O 2.93Å; D32-S34 WeakPolarHBondContact OD1-CB 3.37Å; D32-S34 PolarHBondContact OD1-N 3.01Å; D32-S34 PolarHBondContact OD1-OG 3.28Å; D32-S34 PolarHBondContact OD2-OG 3.36Å
33I94.1Very high93.2Very high5 Ų545.4 Ų45.43%0.02625%0.254CS..  trans-115.919.4179.965.8160.7000112.9L30 I35 F36 I52 P57 L58L30-I33 HydrophobicContact CB-CG2 4.49Å; I33-I35 PolarHBondContact O-N 2.96Å; I33-F36 HydrophobicContact CB-CD2 3.67Å; I33-F36 HydrophobicContact CB-CE2 3.74Å; I33-F36 HydrophobicContact CD1-CD2 4.27Å; I33-F36 HydrophobicContact CG1-CD2 4.39Å; I33-F36 HydrophobicContact CG2-CD2 4.43Å; I33-F36 HydrophobicContact CG2-CE2 4Å; I33-F36 VanDerWaalsContact O-CD2 3.3Å; I33-F36 WeakPolarHBondContact O-CD2 3.13Å; I33-F36 PolarHBondContact O-N 2.87Å; I33-F36 VanDerWaalsContact O-N 3.12Å; I33-I52 HydrophobicContact CD1-CG2 3.84Å; I33-I52 HydrophobicContact CG1-CG2 4.3Å; I33-I52 HydrophobicContact CG2-CD1 3.73Å; I33-I52 HydrophobicContact CG2-CG1 3.87Å; I33-P57 HydrophobicContact CG1-CB 4.28Å; I33-P57 HydrophobicContact CG1-CG 4.07Å; I33-P57 WeakPolarHBondContact O-CB 3.41Å; I33-L58 HydrophobicContact CD1-CD1 4.39Å; I33-L58 HydrophobicContact CD1-CD2 4.41Å; I33-L58 HydrophobicContact CD1-CG 4.17Å
34S93.3Very high93.3Very high39 Ų3946.2 Ų46.227%0.27326%0.259SS..G310 helixtrans-51.7-2818048.50000114.4K2 D32 F36 S37K2-S34 PolarHBondContact NZ-OG 3.24Å; D32-S34 WeakPolarHBondContact OD1-CB 3.37Å; D32-S34 PolarHBondContact OD1-N 3.01Å; D32-S34 PolarHBondContact OD1-OG 3.28Å; D32-S34 PolarHBondContact OD2-OG 3.36Å; S34-F36 PolarHBondContact O-N 3.33Å; S34-S37 WeakPolarHBondContact O-CB 3.27Å; S34-S37 PolarHBondContact O-N 3.1Å; S34-S37 PolarHBondContact O-OG 2.86Å
35I91.9Very high93.4Very high17 Ų1741.7 Ų41.79%0.08724%0.235CC..G310 helixtrans-60.5-25.9-179.9-165.661.5000113.6L3 R5 V8 L17 I33 S37 Q38L3-I35 HydrophobicContact CB-CG2 4.07Å; L3-I35 HydrophobicContact CD2-CG2 3.84Å; L3-I35 HydrophobicContact CG-CG2 3.94Å; R5-I35 HydrophobicContact CB-CD1 4.39Å; V8-I35 HydrophobicContact CG2-CG1 4.49Å; V8-I35 HydrophobicContact CG2-CG2 4.29Å; L17-I35 HydrophobicContact CD1-CD1 3.95Å; L17-I35 HydrophobicContact CD1-CG1 4.41Å; I33-I35 PolarHBondContact O-N 2.96Å; I35-S37 PolarHBondContact O-N 2.88Å; I35-Q38 PolarHBondContact O-N 3.04Å
36F93.3Very high93.6Very high0 Ų043.1 Ų43.10%024%0.243CC..G310 helixtrans-67.5-19.1-179.6-66.8-58.4000113.7L3 L23 I33 S34 Q38 M39 I42 L45 L47 P57 L58 C61L3-F36 HydrophobicContact CD2-CE1 4.19Å; L3-F36 HydrophobicContact CD2-CE2 3.95Å; L3-F36 HydrophobicContact CD2-CZ 3.48Å; L3-F36 VanDerWaalsContact CD2-CZ 3.48Å; L23-F36 HydrophobicContact CD2-CE1 3.6Å; L23-F36 HydrophobicContact CD2-CZ 3.88Å; I33-F36 HydrophobicContact CB-CD2 3.67Å; I33-F36 HydrophobicContact CB-CE2 3.74Å; I33-F36 HydrophobicContact CD1-CD2 4.27Å; I33-F36 HydrophobicContact CG1-CD2 4.39Å; I33-F36 HydrophobicContact CG2-CD2 4.43Å; I33-F36 HydrophobicContact CG2-CE2 4Å; I33-F36 VanDerWaalsContact O-CD2 3.3Å; I33-F36 WeakPolarHBondContact O-CD2 3.13Å; I33-F36 PolarHBondContact O-N 2.87Å; I33-F36 VanDerWaalsContact O-N 3.12Å; S34-F36 PolarHBondContact O-N 3.33Å; F36-Q38 PolarHBondContact O-N 3.35Å; F36-Q38 VanDerWaalsContact O-N 3.1Å; F36-M39 HydrophobicContact CD1-CE 4.36Å; F36-M39 HydrophobicContact CD1-SD 3.67Å; F36-M39 HydrophobicContact CE1-CE 4.39Å; F36-M39 HydrophobicContact CE1-SD 4.02Å; F36-M39 PolarHBondContact O-N 3.12Å; F36-I42 HydrophobicContact CD1-CD1 4.25Å; F36-I42 HydrophobicContact CE1-CD1 4.06Å; F36-L45 HydrophobicContact CD1-CD2 4.23Å; F36-L45 HydrophobicContact CD2-CD2 4.29Å; F36-L45 HydrophobicContact CE1-CD1 3.71Å; F36-L45 HydrophobicContact CE1-CD2 4.04Å; F36-L45 HydrophobicContact CE2-CD1 4.37Å; F36-L45 HydrophobicContact CE2-CD2 4.13Å; F36-L45 HydrophobicContact CG-CD2 4.38Å; F36-L45 HydrophobicContact CZ-CD1 3.57Å; F36-L45 HydrophobicContact CZ-CD2 4.01Å; F36-L45 HydrophobicContact CZ-CG 4.43Å; F36-L47 HydrophobicContact CE2-CD1 3.94Å; F36-L47 HydrophobicContact CE2-CD2 4.03Å; F36-L47 HydrophobicContact CZ-CD1 4.44Å; F36-L47 HydrophobicContact CZ-CD2 4.09Å; F36-P57 CarbonylContact C-O 3.57Å; F36-L58 HydrophobicContact CB-CD2 3.67Å; F36-L58 HydrophobicContact CD2-CD2 3.72Å; F36-L58 HydrophobicContact CG-CD2 3.8Å; F36-C61 PolarHBondContact O-SG 3.41Å; F36-C61 VanDerWaalsContact O-SG 3.36Å
37S90.7Very high93.7Very high76 Ų7635.7 Ų35.753%0.53122%0.215SC..G310 helixtrans-58.2-22.5170.161.70000113.2S34 I35 P57S34-S37 WeakPolarHBondContact O-CB 3.27Å; S34-S37 PolarHBondContact O-N 3.1Å; S34-S37 PolarHBondContact O-OG 2.86Å; I35-S37 PolarHBondContact O-N 2.88Å; S37-P57 PolarHBondContact N-O 3.29Å
38Q90.3Very high93.8Very high113 Ų11334.5 Ų34.553%0.52820%0.202SC..G310 helixtrans-99.911.6178.9-58.2174.327.300112.6L17 I35 F36 P40L17-Q38 HydrophobicContact CD1-CB 4.39Å; I35-Q38 PolarHBondContact O-N 3.04Å; F36-Q38 PolarHBondContact O-N 3.35Å; F36-Q38 VanDerWaalsContact O-N 3.1Å; Q38-P40 VanDerWaalsContact C-CD 3.47Å
39M92.4Very high94Very high0 Ų035.2 Ų35.20%021%0.205CC..  trans-128.664.5-175-62.3175.267.200111.5V8 L17 V20 F36 S41 I42V8-M39 HydrophobicContact CG1-CE 3.73Å; V8-M39 HydrophobicContact CG1-SD 3.91Å; L17-M39 HydrophobicContact CB-CG 4.1Å; L17-M39 HydrophobicContact CD2-CG 4.39Å; L17-M39 HydrophobicContact CD2-SD 4.25Å; V20-M39 HydrophobicContact CB-CE 3.55Å; V20-M39 HydrophobicContact CG1-CE 3.46Å; V20-M39 VanDerWaalsContact CG1-CE 3.46Å; V20-M39 HydrophobicContact CG2-CE 4.11Å; F36-M39 HydrophobicContact CD1-CE 4.36Å; F36-M39 HydrophobicContact CD1-SD 3.67Å; F36-M39 HydrophobicContact CE1-CE 4.39Å; F36-M39 HydrophobicContact CE1-SD 4.02Å; F36-M39 PolarHBondContact O-N 3.12Å; M39-S41 PolarHBondContact O-N 2.88Å; M39-I42 HydrophobicContact CE-CD1 4Å; M39-I42 WeakPolarHBondContact O-CG2 3.31Å; M39-I42 PolarHBondContact O-N 2.85Å
40P91Very high94.3Very high58 Ų5830.6 Ų30.638%0.37718%0.18SC..THydrogen-bonded Turntrans-68-22.2-174.828.1-35.9000113.9Q38 I42 S63Q38-P40 VanDerWaalsContact C-CD 3.47Å; P40-I42 VanDerWaalsContact C-N 3.33Å; P40-S63 WeakPolarHBondContact O-CB 3.29Å; P40-S63 PolarHBondContact O-OG 2.87Å
41S93.8Very high94.4Very high41 Ų4134.2 Ų34.229%0.28720%0.2SC..THydrogen-bonded Turntrans-85.20.9-177.4-50.40000114.4E18 M39 E43E18-S41 WeakPolarHBondContact O-CB 3.48Å; E18-S41 PolarHBondContact O-OG 2.98Å; M39-S41 PolarHBondContact O-N 2.88Å; S41-E43 PolarHBondContact O-N 3.17Å
42I95.6Very high94.6Very high0 Ų030.6 Ų30.60%018%0.177CC..  trans-68.6130.5-178.5-160.9163.5000110.5V20 L23 F36 M39 P40 L45 C61 S63 L64V20-I42 WeakPolarHBondContact O-CA 3.36Å; L23-I42 HydrophobicContact CB-CD1 3.94Å; F36-I42 HydrophobicContact CD1-CD1 4.25Å; F36-I42 HydrophobicContact CE1-CD1 4.06Å; M39-I42 HydrophobicContact CE-CD1 4Å; M39-I42 WeakPolarHBondContact O-CG2 3.31Å; M39-I42 PolarHBondContact O-N 2.85Å; P40-I42 VanDerWaalsContact C-N 3.33Å; I42-L45 HydrophobicContact CD1-CB 4.16Å; I42-L45 HydrophobicContact CD1-CD1 3.9Å; I42-L45 HydrophobicContact CD1-CD2 4.34Å; I42-L45 HydrophobicContact CD1-CG 4.35Å; I42-C61 HydrophobicContact CG2-CB 3.8Å; I42-S63 CarbonylContact O-C 3.25Å; I42-L64 HydrophobicContact CG2-CD1 4Å; I42-L64 WeakPolarHBondContact O-CA 3.4Å; I42-L64 PolarHBondContact O-N 2.83Å
43E96.9Very high94.6Very high58 Ų5831.3 Ų31.327%0.27119%0.186SC..  trans-107.5-45.2-177.3-64.2172.8-166.300110.3K21 S41 S65 E66K21-E43 HydrophobicContact CB-CG 4.43Å; K21-E43 WeakPolarHBondContact CD-OE1 3.35Å; K21-E43 WeakPolarHBondContact CE-OE1 3.45Å; K21-E43 IonicContact NZ-OE1 3.12Å; K21-E43 PolarHBondContact NZ-OE1 2.95Å; K21-E43 WeakPolarHBondContact O-CA 3.37Å; K21-E43 PolarHBondContact O-N 2.99Å; S41-E43 PolarHBondContact O-N 3.17Å; E43-S65 PolarHBondContact O-N 3.08Å; E43-S65 PolarHBondContact O-OG 3.24Å; E43-S65 VanDerWaalsContact O-OG 3.05Å; E43-E66 PolarHBondContact O-N 3.14Å
44V97.1Very high94.7Very high23 Ų2333.1 Ų33.114%0.13920%0.199CC..EExtended strand (participates in β ladder)trans-124.6121-176.9-178.20000110.6K21 K22 L23 E66 Y68K21-V44 PolarHBondContact O-N 3.38Å; K22-V44 WeakPolarHBondContact CA-O 3.48Å; K22-V44 HydrophobicContact CB-CB 4.41Å; K22-V44 HydrophobicContact CD-CB 4.42Å; K22-V44 HydrophobicContact CD-CG2 4.4Å; K22-V44 HydrophobicContact CG-CB 4.03Å; K22-V44 HydrophobicContact CG-CG2 4.29Å; L23-V44 PolarHBondContact N-O 3.25Å; V44-E66 HydrophobicContact CB-CB 4.48Å; V44-E66 HydrophobicContact CG1-CB 4.14Å; V44-E66 HydrophobicContact CG2-CB 4.26Å; V44-E66 HydrophobicContact CG2-CG 4.35Å; V44-Y68 HydrophobicContact CG1-CE2 4.43Å
45L96.9Very high94.8Very high0 Ų031.2 Ų31.20%019%0.186CC..EExtended strand (participates in β ladder)trans-129.4116-176.4-177.953.7000111.9L23 F36 I42 L47 L58 L64 E66 L67 Y68L23-L45 HydrophobicContact CB-CD1 4.12Å; L23-L45 HydrophobicContact CD2-CD1 4.37Å; F36-L45 HydrophobicContact CD1-CD2 4.23Å; F36-L45 HydrophobicContact CD2-CD2 4.29Å; F36-L45 HydrophobicContact CE1-CD1 3.71Å; F36-L45 HydrophobicContact CE1-CD2 4.04Å; F36-L45 HydrophobicContact CE2-CD1 4.37Å; F36-L45 HydrophobicContact CE2-CD2 4.13Å; F36-L45 HydrophobicContact CG-CD2 4.38Å; F36-L45 HydrophobicContact CZ-CD1 3.57Å; F36-L45 HydrophobicContact CZ-CD2 4.01Å; F36-L45 HydrophobicContact CZ-CG 4.43Å; I42-L45 HydrophobicContact CD1-CB 4.16Å; I42-L45 HydrophobicContact CD1-CD1 3.9Å; I42-L45 HydrophobicContact CD1-CD2 4.34Å; I42-L45 HydrophobicContact CD1-CG 4.35Å; L45-L47 HydrophobicContact CD1-CD1 4.07Å; L45-L47 HydrophobicContact CD1-CD2 4.17Å; L45-L47 HydrophobicContact CD1-CG 3.82Å; L45-L47 HydrophobicContact CD2-CD1 3.58Å; L45-L47 HydrophobicContact CD2-CG 4.24Å; L45-L47 HydrophobicContact CG-CD1 3.68Å; L45-L47 HydrophobicContact CG-CG 3.78Å; L45-L58 HydrophobicContact CD2-CD2 3.69Å; L45-L64 HydrophobicContact CB-CD1 3.77Å; L45-E66 PolarHBondContact N-O 3.25Å; L45-L67 HydrophobicContact CB-CD1 4.17Å; L45-L67 HydrophobicContact CD2-CD1 4.07Å; L45-L67 HydrophobicContact CG-CD1 4.14Å; L45-Y68 PolarHBondContact O-N 2.86Å
46T96.8Very high94.9Very high30 Ų3033.2 Ų33.218%0.18420%0.202CC..EExtended strand (participates in β ladder)trans-104112.4174.1-53.20000110.9L23 C25 W26L23-T46 PolarHBondContact O-N 3.47Å; C25-T46 CarbonylContact C-O 3.54Å; C25-T46 WeakPolarHBondContact CA-O 3.21Å; C25-T46 PolarHBondContact N-O 3.3Å; W26-T46 HydrophobicContact CB-CG2 4.34Å
47L96.4Very high94.9Very high0 Ų034.6 Ų34.60%021%0.211CC..  trans-126.719.4-178.8-70.6170.5000112.3C25 L30 F36 L45 N50 I52 L67 Y68 L69 N72C25-L47 HydrophobicContact CB-CD2 3.83Å; L30-L47 HydrophobicContact CD1-CD2 3.94Å; F36-L47 HydrophobicContact CE2-CD1 3.94Å; F36-L47 HydrophobicContact CE2-CD2 4.03Å; F36-L47 HydrophobicContact CZ-CD1 4.44Å; F36-L47 HydrophobicContact CZ-CD2 4.09Å; L45-L47 HydrophobicContact CD1-CD1 4.07Å; L45-L47 HydrophobicContact CD1-CD2 4.17Å; L45-L47 HydrophobicContact CD1-CG 3.82Å; L45-L47 HydrophobicContact CD2-CD1 3.58Å; L45-L47 HydrophobicContact CD2-CG 4.24Å; L45-L47 HydrophobicContact CG-CD1 3.68Å; L45-L47 HydrophobicContact CG-CG 3.78Å; L47-N50 VanDerWaalsContact C-ND2 3.27Å; L47-N50 PolarHBondContact O-ND2 3.12Å; L47-I52 HydrophobicContact CB-CD1 3.78Å; L47-I52 HydrophobicContact CD1-CD1 3.9Å; L47-I52 HydrophobicContact CD2-CD1 4.06Å; L47-I52 HydrophobicContact CG-CD1 4.14Å; L47-L67 HydrophobicContact CD1-CD1 4.5Å; L47-Y68 CarbonylContact C-O 3.18Å; L47-Y68 VanDerWaalsContact C-O 3.28Å; L47-Y68 WeakPolarHBondContact CA-O 3.06Å; L47-Y68 PolarHBondContact N-O 2.78Å; L47-L69 HydrophobicContact CB-CD2 3.9Å; L47-L69 HydrophobicContact CD1-CD2 4.1Å; L47-N72 PolarHBondContact O-ND2 3.06Å
48S96.9Very high95.1Very high11 Ų1131 Ų318%0.07719%0.185CC..  trans-68.3152.6-178.7-45.80000112.2W26 G27 N50 Y68 R70W26-S48 WeakPolarHBondContact CA-O 3.47Å; G27-S48 PolarHBondContact N-O 2.82Å; G27-S48 VanDerWaalsContact N-O 3.15Å; S48-N50 PolarHBondContact O-ND2 2.67Å; S48-Y68 PolarHBondContact N-O 3.41Å; S48-Y68 VanDerWaalsContact N-O 3.1Å; S48-Y68 PolarHBondContact OG-O 3.23Å; S48-R70 CarbonylContact C-O 3.5Å; S48-R70 WeakPolarHBondContact CA-O 3.27Å; S48-R70 VanDerWaalsContact CB-O 3.27Å; S48-R70 WeakPolarHBondContact CB-O 3.44Å
49V96.8Very high95.3Very high38 Ų3827.1 Ų27.123%0.2317%0.173CC..SBendtrans58.258.1-177.8-164.90000110.7W26 G27 R70 R71W26-V49 HydrophobicContact CZ2-CB 4.48Å; W26-V49 HydrophobicContact CZ2-CG2 3.92Å; G27-V49 WeakPolarHBondContact CA-O 3.47Å; G27-V49 PolarHBondContact N-O 3.2Å; V49-R70 PolarHBondContact N-O 2.92Å; V49-R71 WeakPolarHBondContact CA-O 3.38Å; V49-R71 HydrophobicContact CG2-CB 4.4Å; V49-R71 PolarHBondContact N-O 2.77Å
50N96.9Very high95.2Very high6 Ų629.1 Ų29.13%0.03219%0.193CC..SBendtrans-134.3-169.6172.8-74.3-70000109.1C25 C28 N29 L30 L47 S48 I52 R71 N72C25-N50 PolarHBondContact O-ND2 2.85Å; C28-N50 VanDerWaalsContact C-OD1 3.3Å; C28-N50 WeakPolarHBondContact CA-OD1 3.43Å; C28-N50 PolarHBondContact N-OD1 2.7Å; N29-N50 PolarHBondContact N-OD1 3.1Å; L30-N50 HydrophobicContact CB-CB 4.16Å; L30-N50 WeakPolarHBondContact CB-OD1 3.35Å; L30-N50 PolarHBondContact N-OD1 3.04Å; L47-N50 VanDerWaalsContact C-ND2 3.27Å; L47-N50 PolarHBondContact O-ND2 3.12Å; S48-N50 PolarHBondContact O-ND2 2.67Å; N50-I52 HydrophobicContact CB-CD1 4.14Å; N50-I52 HydrophobicContact CB-CG1 4.12Å; N50-R71 PolarHBondContact N-O 3.42Å; N50-N72 WeakPolarHBondContact CA-OD1 3.22Å; N50-N72 WeakPolarHBondContact CB-OD1 3.36Å; N50-N72 PolarHBondContact O-OD1 3.27Å
51N96.3Very high95.3Very high77 Ų7726.3 Ų26.341%0.41218%0.175SC..  trans-121.638.4-176.9-63.271.8000110.5L30 T31 N72 M73L30-N51 CarbonylContact O-C 3.27Å; L30-N51 VanDerWaalsContact O-C 3.25Å; L30-N51 WeakPolarHBondContact O-CA 3.27Å; L30-N51 PolarHBondContact O-N 3.22Å; T31-N51 HydrophobicContact CG2-CB 3.72Å; N51-N72 PolarHBondContact N-OD1 3.29Å; N51-M73 HydrophobicContact CB-CG 4.5Å
52I95.9Very high95.3Very high1 Ų129.1 Ų29.11%0.00519%0.186CC..  trans-79.2128.8-177.2-58.4165000108.8L30 I33 L47 N50 S54 L69 N72 M73 I74L30-I52 PolarHBondContact O-N 3.37Å; I33-I52 HydrophobicContact CD1-CG2 3.84Å; I33-I52 HydrophobicContact CG1-CG2 4.3Å; I33-I52 HydrophobicContact CG2-CD1 3.73Å; I33-I52 HydrophobicContact CG2-CG1 3.87Å; L47-I52 HydrophobicContact CB-CD1 3.78Å; L47-I52 HydrophobicContact CD1-CD1 3.9Å; L47-I52 HydrophobicContact CD2-CD1 4.06Å; L47-I52 HydrophobicContact CG-CD1 4.14Å; N50-I52 HydrophobicContact CB-CD1 4.14Å; N50-I52 HydrophobicContact CB-CG1 4.12Å; I52-S54 WeakPolarHBondContact CG2-O 3.39Å; I52-L69 HydrophobicContact CD1-CD2 4.27Å; I52-N72 HydrophobicContact CB-CB 4.46Å; I52-N72 VanDerWaalsContact CB-OD1 3.31Å; I52-N72 WeakPolarHBondContact CB-OD1 3.48Å; I52-N72 WeakPolarHBondContact CG1-OD1 3.44Å; I52-N72 PolarHBondContact N-OD1 3.29Å; I52-M73 CarbonylContact O-C 3.26Å; I52-M73 VanDerWaalsContact O-C 3.23Å; I52-M73 WeakPolarHBondContact O-CA 3.45Å; I52-M73 PolarHBondContact O-N 2.89Å; I52-I74 PolarHBondContact O-N 3.36Å
53S94.4Very high95.3Very high65 Ų6530.5 Ų30.546%0.45520%0.196SC..  trans-112.6-16.4178.658.20000114.4M73 P75S53-M73 WeakPolarHBondContact CA-O 3.47Å; S53-P75 VanDerWaalsContact O-CD 3.26Å; S53-P75 WeakPolarHBondContact O-CD 3.37Å
54S94.5Very high95.4Very high42 Ų4227.8 Ų27.829%0.29418%0.183SC..  trans-131.4142.6179.1-178.20000112.8I52 S56 E79I52-S54 WeakPolarHBondContact CG2-O 3.39Å; S54-S56 PolarHBondContact OG-N 3.47Å; S54-E79 WeakPolarHBondContact CA-OE2 3.18Å; S54-E79 WeakPolarHBondContact CB-OE2 3.35Å; S54-E79 PolarHBondContact OG-OE2 2.95Å
55L95.3Very high95.4Very high0 Ų028.1 Ų28.10%019%0.186CC..  trans-103.70.2178.8-56.2-177000113.2P57 L58 L69 I74 E79 H82 L83L55-P57 VanDerWaalsContact C-CD 3.43Å; L55-P57 VanDerWaalsContact C-N 3.31Å; L55-L58 HydrophobicContact CD2-CD1 4.18Å; L55-L58 WeakPolarHBondContact O-CB 3.38Å; L55-L58 PolarHBondContact O-N 2.98Å; L55-L69 HydrophobicContact CD1-CD1 4.12Å; L55-L69 HydrophobicContact CD2-CD1 3.57Å; L55-L69 HydrophobicContact CD2-CD2 4.16Å; L55-I74 HydrophobicContact CD1-CD1 4.25Å; L55-I74 HydrophobicContact CD2-CD1 4.02Å; L55-I74 HydrophobicContact CD2-CG1 4.49Å; L55-I74 HydrophobicContact CG-CD1 4.38Å; L55-E79 HydrophobicContact CB-CB 4.35Å; L55-E79 HydrophobicContact CD1-CB 4.07Å; L55-E79 HydrophobicContact CG-CB 4.08Å; L55-E79 PolarHBondContact N-OE2 3.1Å; L55-H82 HydrophobicContact CB-CB 4.46Å; L55-L83 HydrophobicContact CB-CD2 4.43Å; L55-L83 HydrophobicContact CD1-CD1 3.89Å; L55-L83 HydrophobicContact CD1-CD2 4.44Å; L55-L83 HydrophobicContact CD1-CG 4.13Å
56S94.5Very high95.5Very high59 Ų5931.1 Ų31.141%0.41320%0.2SC..G310 helixtrans-47.8-44179.5172.40000114.1S54 L58 A59 H82S54-S56 PolarHBondContact OG-N 3.47Å; S56-L58 PolarHBondContact O-N 3.36Å; S56-L58 VanDerWaalsContact O-N 3.08Å; S56-A59 WeakPolarHBondContact O-CB 3.3Å; S56-A59 PolarHBondContact O-N 3Å; S56-A59 VanDerWaalsContact O-N 3.14Å; S56-H82 PolarHBondContact N-CD2 3.35Å
57P94.2Very high95.5Very high29 Ų2929.7 Ų29.719%0.18819%0.192CC..G310 helixtrans-64.6-14.6179.8-26.238.8000115.5I33 F36 S37 L55I33-P57 HydrophobicContact CG1-CB 4.28Å; I33-P57 HydrophobicContact CG1-CG 4.07Å; I33-P57 WeakPolarHBondContact O-CB 3.41Å; F36-P57 CarbonylContact C-O 3.57Å; S37-P57 PolarHBondContact N-O 3.29Å; L55-P57 VanDerWaalsContact C-CD 3.43Å; L55-P57 VanDerWaalsContact C-N 3.31Å
58L95.3Very high95.6Very high0 Ų032.1 Ų32.10%020%0.201CC..G310 helixtrans-89-8.4179.5-58.6179.1000113.1I33 F36 L45 L55 S56 G60 C61 L67 L83I33-L58 HydrophobicContact CD1-CD1 4.39Å; I33-L58 HydrophobicContact CD1-CD2 4.41Å; I33-L58 HydrophobicContact CD1-CG 4.17Å; F36-L58 HydrophobicContact CB-CD2 3.67Å; F36-L58 HydrophobicContact CD2-CD2 3.72Å; F36-L58 HydrophobicContact CG-CD2 3.8Å; L45-L58 HydrophobicContact CD2-CD2 3.69Å; L55-L58 HydrophobicContact CD2-CD1 4.18Å; L55-L58 WeakPolarHBondContact O-CB 3.38Å; L55-L58 PolarHBondContact O-N 2.98Å; S56-L58 PolarHBondContact O-N 3.36Å; S56-L58 VanDerWaalsContact O-N 3.08Å; L58-G60 PolarHBondContact O-N 2.69Å; L58-G60 VanDerWaalsContact O-N 3.14Å; L58-C61 WeakPolarHBondContact O-CB 3.01Å; L58-C61 PolarHBondContact O-N 2.7Å; L58-L67 HydrophobicContact CD1-CD1 4.04Å; L58-L67 HydrophobicContact CD1-CD2 3.89Å; L58-L83 HydrophobicContact CB-CD2 4.2Å
59A93Very high95.6Very high32 Ų3231.6 Ų31.626%0.26420%0.198SC..THydrogen-bonded Turntrans-59.9-28.4-175.700000113.7S56 H82S56-A59 WeakPolarHBondContact O-CB 3.3Å; S56-A59 PolarHBondContact O-N 3Å; S56-A59 VanDerWaalsContact O-N 3.14Å; A59-H82 VanDerWaalsContact CA-O 3.32Å; A59-H82 WeakPolarHBondContact CA-O 3.38Å; A59-H82 HydrophobicContact CB-CB 4.27Å; A59-H82 WeakPolarHBondContact CB-O 3.12Å
60G89.9Confident95.6Very high41 Ų4134.7 Ų34.742%0.42321%0.205SC..THydrogen-bonded Turntrans-85.4-5.6177.400000115.1L58 L62L58-G60 PolarHBondContact O-N 2.69Å; L58-G60 VanDerWaalsContact O-N 3.14Å; G60-L62 PolarHBondContact O-N 3.35Å
61C94.8Very high95.6Very high0 Ų041.4 Ų41.40%023%0.23CC..  trans-82.960.4-175.7-62.30000112F36 I42 L58 S63 L64 L86F36-C61 PolarHBondContact O-SG 3.41Å; F36-C61 VanDerWaalsContact O-SG 3.36Å; I42-C61 HydrophobicContact CG2-CB 3.8Å; L58-C61 WeakPolarHBondContact O-CB 3.01Å; L58-C61 PolarHBondContact O-N 2.7Å; C61-S63 PolarHBondContact O-N 3.41Å; C61-L64 HydrophobicContact CB-CB 4.2Å; C61-L64 WeakPolarHBondContact O-CB 3.39Å; C61-L64 PolarHBondContact O-N 3.21Å; C61-L86 WeakPolarHBondContact O-CD2 3.48Å
62L93.6Very high95.6Very high99 Ų9938 Ų3852%0.51821%0.212SC..THydrogen-bonded Turntrans-59.7-20.4-171.7-57.7179.5000114.6G60 L64 P85 L86G60-L62 PolarHBondContact O-N 3.35Å; L62-L64 VanDerWaalsContact C-N 3.34Å; L62-P85 HydrophobicContact CD2-CB 4.33Å; L62-L86 HydrophobicContact CD2-CD2 4.28Å
63S95.8Very high95.7Very high30 Ų3042.8 Ų42.821%0.2124%0.235CC..THydrogen-bonded Turntrans-83.5-6.7177-59.50000114.2P40 I42 C61 S65P40-S63 WeakPolarHBondContact O-CB 3.29Å; P40-S63 PolarHBondContact O-OG 2.87Å; I42-S63 CarbonylContact O-C 3.25Å; C61-S63 PolarHBondContact O-N 3.41Å; S63-S65 PolarHBondContact O-N 3.14Å
64L97.5Very high95.7Very high0 Ų039.9 Ų39.90%022%0.215CC..  trans-66122.8-172.7-167.873.3000111I42 L45 C61 L62 L67 L86 R88 L89I42-L64 HydrophobicContact CG2-CD1 4Å; I42-L64 WeakPolarHBondContact O-CA 3.4Å; I42-L64 PolarHBondContact O-N 2.83Å; L45-L64 HydrophobicContact CB-CD1 3.77Å; C61-L64 HydrophobicContact CB-CB 4.2Å; C61-L64 WeakPolarHBondContact O-CB 3.39Å; C61-L64 PolarHBondContact O-N 3.21Å; L62-L64 VanDerWaalsContact C-N 3.34Å; L64-L67 HydrophobicContact CD2-CB 4Å; L64-L67 HydrophobicContact CD2-CD1 4.3Å; L64-L67 HydrophobicContact CD2-CD2 4Å; L64-L67 HydrophobicContact CD2-CG 4.33Å; L64-L86 HydrophobicContact CB-CD1 4.35Å; L64-L86 HydrophobicContact CD2-CD1 3.87Å; L64-R88 CarbonylContact O-C 3.48Å; L64-R88 VanDerWaalsContact O-C 3.26Å; L64-L89 HydrophobicContact CD2-CD1 4.24Å; L64-L89 HydrophobicContact CG-CD1 4.23Å; L64-L89 VanDerWaalsContact O-CA 3.32Å; L64-L89 WeakPolarHBondContact O-CA 3.4Å; L64-L89 PolarHBondContact O-N 3.25Å; L64-L89 VanDerWaalsContact O-N 3.12Å
65S97.6Very high95.6Very high30 Ų3041 Ų4121%0.2122%0.221CC..  trans-110-31.2178.861.20000112.7E43 S63 R88 R90 V91E43-S65 PolarHBondContact O-N 3.08Å; E43-S65 PolarHBondContact O-OG 3.24Å; E43-S65 VanDerWaalsContact O-OG 3.05Å; S63-S65 PolarHBondContact O-N 3.14Å; S65-R88 WeakPolarHBondContact CA-O 3.44Å; S65-R90 PolarHBondContact O-N 2.94Å; S65-V91 PolarHBondContact O-N 3.12Å
66E98.2Very high95.5Very high63 Ų6344.2 Ų44.229%0.29424%0.241SC..EExtended strand (participates in β ladder)trans-134125-178.6-58.1-176.5-148.600111.7E43 V44 L45 Y68 V91E43-E66 PolarHBondContact O-N 3.14Å; V44-E66 HydrophobicContact CB-CB 4.48Å; V44-E66 HydrophobicContact CG1-CB 4.14Å; V44-E66 HydrophobicContact CG2-CB 4.26Å; V44-E66 HydrophobicContact CG2-CG 4.35Å; L45-E66 PolarHBondContact N-O 3.25Å; E66-Y68 HydrophobicContact CB-CE2 3.85Å; E66-Y68 WeakPolarHBondContact OE2-CE2 3.48Å; E66-Y68 PolarHBondContact OE2-OH 2.76Å; E66-V91 HydrophobicContact CB-CB 4.24Å; E66-V91 HydrophobicContact CG-CB 3.98Å; E66-V91 HydrophobicContact CG-CG2 4.01Å
67L98.1Very high95.4Very high0 Ų042.8 Ų42.80%023%0.228CC..EExtended strand (participates in β ladder)trans-131115.7-179-178.655.7000111.5L45 L47 L58 L64 L69 L83 L89 V91 L92 W93L45-L67 HydrophobicContact CB-CD1 4.17Å; L45-L67 HydrophobicContact CD2-CD1 4.07Å; L45-L67 HydrophobicContact CG-CD1 4.14Å; L47-L67 HydrophobicContact CD1-CD1 4.5Å; L58-L67 HydrophobicContact CD1-CD1 4.04Å; L58-L67 HydrophobicContact CD1-CD2 3.89Å; L64-L67 HydrophobicContact CD2-CB 4Å; L64-L67 HydrophobicContact CD2-CD1 4.3Å; L64-L67 HydrophobicContact CD2-CD2 4Å; L64-L67 HydrophobicContact CD2-CG 4.33Å; L67-L69 HydrophobicContact CD1-CD1 4.09Å; L67-L69 HydrophobicContact CD1-CD2 4.38Å; L67-L69 HydrophobicContact CD1-CG 3.95Å; L67-L69 HydrophobicContact CD2-CD1 3.63Å; L67-L69 HydrophobicContact CD2-CG 4.38Å; L67-L69 HydrophobicContact CG-CD1 3.69Å; L67-L69 HydrophobicContact CG-CG 3.91Å; L67-L83 HydrophobicContact CD2-CD1 3.98Å; L67-L83 HydrophobicContact CD2-CD2 4.04Å; L67-L89 HydrophobicContact CB-CD1 3.87Å; L67-V91 PolarHBondContact N-O 2.97Å; L67-L92 HydrophobicContact CB-CD1 4.1Å; L67-L92 HydrophobicContact CD2-CD1 4Å; L67-L92 HydrophobicContact CG-CD1 4.08Å; L67-L92 WeakPolarHBondContact O-CA 3.16Å; L67-W93 PolarHBondContact O-N 3.46Å
68Y98Very high95.3Very high52 Ų5242.3 Ų42.320%0.20423%0.226CC..EExtended strand (participates in β ladder)trans-110105.9-179.7-56.6-86.3000111.2V44 L45 L47 S48 E66 V91 W93V44-Y68 HydrophobicContact CG1-CE2 4.43Å; L45-Y68 PolarHBondContact O-N 2.86Å; L47-Y68 CarbonylContact C-O 3.18Å; L47-Y68 VanDerWaalsContact C-O 3.28Å; L47-Y68 WeakPolarHBondContact CA-O 3.06Å; L47-Y68 PolarHBondContact N-O 2.78Å; S48-Y68 PolarHBondContact N-O 3.41Å; S48-Y68 VanDerWaalsContact N-O 3.1Å; S48-Y68 PolarHBondContact OG-O 3.23Å; E66-Y68 HydrophobicContact CB-CE2 3.85Å; E66-Y68 WeakPolarHBondContact OE2-CE2 3.48Å; E66-Y68 PolarHBondContact OE2-OH 2.76Å; Y68-V91 HydrophobicContact CE1-CG1 4.08Å; Y68-W93 HydrophobicContact CD1-CB 3.97Å; Y68-W93 HydrophobicContact CD1-CD2 4.46Å; Y68-W93 AromaticContact CD1-CE3 3.73Å; Y68-W93 HydrophobicContact CD1-CE3 3.73Å; Y68-W93 HydrophobicContact CE1-CE3 4Å
69L97.1Very high95.2Very high0 Ų043.6 Ų43.60%023%0.232CC..  trans-11815.5-176.4-71.1163.4000113L47 I52 L55 L67 R71 N72 I74 L92 W93 L94 N97L47-L69 HydrophobicContact CB-CD2 3.9Å; L47-L69 HydrophobicContact CD1-CD2 4.1Å; I52-L69 HydrophobicContact CD1-CD2 4.27Å; L55-L69 HydrophobicContact CD1-CD1 4.12Å; L55-L69 HydrophobicContact CD2-CD1 3.57Å; L55-L69 HydrophobicContact CD2-CD2 4.16Å; L67-L69 HydrophobicContact CD1-CD1 4.09Å; L67-L69 HydrophobicContact CD1-CD2 4.38Å; L67-L69 HydrophobicContact CD1-CG 3.95Å; L67-L69 HydrophobicContact CD2-CD1 3.63Å; L67-L69 HydrophobicContact CD2-CG 4.38Å; L67-L69 HydrophobicContact CG-CD1 3.69Å; L67-L69 HydrophobicContact CG-CG 3.91Å; L69-R71 PolarHBondContact O-N 3.01Å; L69-N72 WeakPolarHBondContact O-CB 3.33Å; L69-N72 PolarHBondContact O-ND2 3.41Å; L69-I74 HydrophobicContact CB-CD1 4.16Å; L69-I74 HydrophobicContact CD1-CD1 3.99Å; L69-I74 HydrophobicContact CG-CD1 4.49Å; L69-L92 HydrophobicContact CD1-CD1 4.48Å; L69-W93 CarbonylContact C-O 3.23Å; L69-W93 VanDerWaalsContact C-O 3.27Å; L69-W93 VanDerWaalsContact CA-O 3.22Å; L69-W93 WeakPolarHBondContact CA-O 3.26Å; L69-W93 WeakPolarHBondContact CB-O 3.44Å; L69-W93 PolarHBondContact N-O 2.75Å; L69-L94 HydrophobicContact CB-CD2 3.99Å; L69-L94 HydrophobicContact CD1-CD2 3.9Å; L69-N97 PolarHBondContact O-ND2 3.21Å
70R97.2Very high95.2Very high103 Ų10342.2 Ų42.239%0.38922%0.22SC..  trans-49.6136.3178.1-178.3-175.5174.8-171.7-1.8111.9S48 V49 W93 A95 E96S48-R70 CarbonylContact C-O 3.5Å; S48-R70 WeakPolarHBondContact CA-O 3.27Å; S48-R70 VanDerWaalsContact CB-O 3.27Å; S48-R70 WeakPolarHBondContact CB-O 3.44Å; V49-R70 PolarHBondContact N-O 2.92Å; R70-W93 HydrophobicContact CB-CD2 4.44Å; R70-W93 HydrophobicContact CB-CG 4.15Å; R70-W93 PolarHBondContact N-O 2.96Å; R70-A95 VanDerWaalsContact CA-O 3.26Å; R70-A95 WeakPolarHBondContact CA-O 3.38Å; R70-A95 WeakPolarHBondContact CG-O 3.25Å; R70-E96 IonicContact CZ-OE1 2.63Å; R70-E96 IonicContact NE-OE1 3.72Å; R70-E96 PolarHBondContact NE-OE1 3.19Å; R70-E96 IonicContact NH2-OE1 2.7Å; R70-E96 PolarHBondContact NH2-OE1 2.93Å
71R96.5Very high95.2Very high147 Ų14741.1 Ų41.156%0.55521%0.206SC*.SBendtrans5663178-165.8175.9170.4-172.7-0.7112.2V49 N50 L69 A95 E96V49-R71 WeakPolarHBondContact CA-O 3.38Å; V49-R71 HydrophobicContact CG2-CB 4.4Å; V49-R71 PolarHBondContact N-O 2.77Å; N50-R71 PolarHBondContact N-O 3.42Å; L69-R71 PolarHBondContact O-N 3.01Å; R71-A95 PolarHBondContact N-O 3.04Å; R71-E96 WeakPolarHBondContact CA-O 3.25Å; R71-E96 HydrophobicContact CB-CB 4.05Å
72N97.4Very high95.2Very high5 Ų543.7 Ų43.73%0.02722%0.218CC..  trans-123.6-169.2170.7-86.4-81.6000109.8L47 N50 N51 I52 L69 N97L47-N72 PolarHBondContact O-ND2 3.06Å; N50-N72 WeakPolarHBondContact CA-OD1 3.22Å; N50-N72 WeakPolarHBondContact CB-OD1 3.36Å; N50-N72 PolarHBondContact O-OD1 3.27Å; N51-N72 PolarHBondContact N-OD1 3.29Å; I52-N72 HydrophobicContact CB-CB 4.46Å; I52-N72 VanDerWaalsContact CB-OD1 3.31Å; I52-N72 WeakPolarHBondContact CB-OD1 3.48Å; I52-N72 WeakPolarHBondContact CG1-OD1 3.44Å; I52-N72 PolarHBondContact N-OD1 3.29Å; L69-N72 WeakPolarHBondContact O-CB 3.33Å; L69-N72 PolarHBondContact O-ND2 3.41Å; N72-N97 WeakPolarHBondContact CA-OD1 3.46Å; N72-N97 WeakPolarHBondContact CB-OD1 3.22Å; N72-N97 PolarHBondContact N-OD1 2.78Å; N72-N97 PolarHBondContact O-OD1 2.9Å; N72-N97 VanDerWaalsContact O-OD1 3.12Å
73M96.2Very high95.2Very high102 Ų10239 Ų3950%0.50219%0.193SC..  trans-11434.7-175.2-64.2-60.1-60.600112.2N51 I52 S53 P75 N97N51-M73 HydrophobicContact CB-CG 4.5Å; I52-M73 CarbonylContact O-C 3.26Å; I52-M73 VanDerWaalsContact O-C 3.23Å; I52-M73 WeakPolarHBondContact O-CA 3.45Å; I52-M73 PolarHBondContact O-N 2.89Å; S53-M73 WeakPolarHBondContact CA-O 3.47Å; M73-P75 VanDerWaalsContact O-CD 3.27Å; M73-P75 WeakPolarHBondContact O-CD 3.45Å; M73-N97 PolarHBondContact N-OD1 2.9Å
74I95.9Very high95Very high3 Ų343 Ų432%0.01520%0.204CC..  trans-70.7112.8179.4-59.6165.3000108.3I52 L55 L69 E79 L94 N97 P98 C99I52-I74 PolarHBondContact O-N 3.36Å; L55-I74 HydrophobicContact CD1-CD1 4.25Å; L55-I74 HydrophobicContact CD2-CD1 4.02Å; L55-I74 HydrophobicContact CD2-CG1 4.49Å; L55-I74 HydrophobicContact CG-CD1 4.38Å; L69-I74 HydrophobicContact CB-CD1 4.16Å; L69-I74 HydrophobicContact CD1-CD1 3.99Å; L69-I74 HydrophobicContact CG-CD1 4.49Å; I74-E79 HydrophobicContact CG2-CB 4.11Å; I74-E79 HydrophobicContact CG2-CG 4.14Å; I74-L94 HydrophobicContact CD1-CD2 3.42Å; I74-L94 VanDerWaalsContact CD1-CD2 3.42Å; I74-N97 HydrophobicContact CB-CB 4.18Å; I74-N97 WeakPolarHBondContact CB-OD1 3.32Å; I74-N97 WeakPolarHBondContact CG1-OD1 3.43Å; I74-N97 PolarHBondContact N-OD1 3.39Å; I74-N97 VanDerWaalsContact N-OD1 3.14Å; I74-P98 WeakPolarHBondContact O-CB 3.49Å; I74-P98 VanDerWaalsContact O-CD 3.27Å; I74-P98 WeakPolarHBondContact O-CD 3.48Å; I74-C99 HydrophobicContact CG2-CB 4.08Å; I74-C99 WeakPolarHBondContact O-CB 3.39Å; I74-C99 PolarHBondContact O-N 3.48Å
75P92.3Very high94.7Very high67 Ų6746.1 Ų46.144%0.43522%0.224SC..  trans-74.2-38.1-167.328.2-33.5000112.5S53 M73S53-P75 VanDerWaalsContact O-CD 3.26Å; S53-P75 WeakPolarHBondContact O-CD 3.37Å; M73-P75 VanDerWaalsContact O-CD 3.27Å; M73-P75 WeakPolarHBondContact O-CD 3.45Å
76T93.2Very high94.6Very high67 Ų6745 Ų4541%0.41122%0.215SC..  trans-147.5157.1-167.848.60000111.2S78 E79T76-S78 PolarHBondContact O-N 3.3Å; T76-S78 PolarHBondContact OG1-OG 3.01Å; T76-E79 PolarHBondContact O-N 3.14Å
77L92.8Very high94.3Very high28 Ų2845.3 Ų45.315%0.14722%0.221CC..G310 helixtrans-67.3-12176-63.6176.9000113.3E79 L80 C99 Y107 T110 V111 V141L77-E79 PolarHBondContact O-N 3.08Å; L77-E79 VanDerWaalsContact O-N 3.16Å; L77-L80 HydrophobicContact CB-CD1 4.26Å; L77-L80 HydrophobicContact CD2-CD1 3.98Å; L77-L80 WeakPolarHBondContact O-CB 3.22Å; L77-L80 VanDerWaalsContact O-CG 3.22Å; L77-L80 WeakPolarHBondContact O-CG 3.42Å; L77-L80 PolarHBondContact O-N 2.81Å; L77-C99 HydrophobicContact CD2-CB 3.99Å; L77-C99 HydrophobicContact CG-CB 4.39Å; L77-Y107 HydrophobicContact CD1-CD2 4.17Å; L77-Y107 HydrophobicContact CD2-CD2 3.77Å; L77-Y107 HydrophobicContact CD2-CE2 3.8Å; L77-Y107 HydrophobicContact CG-CD2 4.48Å; L77-T110 HydrophobicContact CB-CG2 4.47Å; L77-T110 HydrophobicContact CD1-CG2 3.58Å; L77-V111 HydrophobicContact CD2-CG2 3.91Å; L77-V141 HydrophobicContact CB-CG2 4.06Å; L77-V141 VanDerWaalsContact O-CG1 3.25Å; L77-V141 WeakPolarHBondContact O-CG1 3.43Å
78S90.9Very high94.2Very high20 Ų2052.4 Ų52.414%0.1425%0.248CC..G310 helixtrans-51.3-34.3172.260.20000113.7T76 L80 C81T76-S78 PolarHBondContact O-N 3.3Å; T76-S78 PolarHBondContact OG1-OG 3.01Å; S78-L80 PolarHBondContact O-N 2.8Å; S78-L80 VanDerWaalsContact O-N 3.12Å; S78-C81 WeakPolarHBondContact O-CB 3.26Å; S78-C81 PolarHBondContact O-N 2.96Å; S78-C81 VanDerWaalsContact O-N 3.08Å; S78-C81 PolarHBondContact O-SG 3.14Å
79E92.9Very high94.2Very high26 Ų2650.2 Ų50.212%0.12124%0.24CC..G310 helixtrans-63-19.1178.3-67.9-61122.100113.4S54 L55 I74 T76 L77 C81 H82S54-E79 WeakPolarHBondContact CA-OE2 3.18Å; S54-E79 WeakPolarHBondContact CB-OE2 3.35Å; S54-E79 PolarHBondContact OG-OE2 2.95Å; L55-E79 HydrophobicContact CB-CB 4.35Å; L55-E79 HydrophobicContact CD1-CB 4.07Å; L55-E79 HydrophobicContact CG-CB 4.08Å; L55-E79 PolarHBondContact N-OE2 3.1Å; I74-E79 HydrophobicContact CG2-CB 4.11Å; I74-E79 HydrophobicContact CG2-CG 4.14Å; T76-E79 PolarHBondContact O-N 3.14Å; L77-E79 PolarHBondContact O-N 3.08Å; L77-E79 VanDerWaalsContact O-N 3.16Å; E79-C81 PolarHBondContact O-N 3.01Å; E79-H82 PolarHBondContact O-N 2.66Å; E79-H82 IonicContact OE2-CD2 3.73Å
80L92.8Very high94.2Very high4 Ų454.7 Ų54.72%0.02126%0.257CS..G310 helixtrans-64.3-19.3174.8-61.2-178.3000113L77 S78 H82 L83 R84 L92 L94 V111 C114 L115L77-L80 HydrophobicContact CB-CD1 4.26Å; L77-L80 HydrophobicContact CD2-CD1 3.98Å; L77-L80 WeakPolarHBondContact O-CB 3.22Å; L77-L80 VanDerWaalsContact O-CG 3.22Å; L77-L80 WeakPolarHBondContact O-CG 3.42Å; L77-L80 PolarHBondContact O-N 2.81Å; S78-L80 PolarHBondContact O-N 2.8Å; S78-L80 VanDerWaalsContact O-N 3.12Å; L80-H82 PolarHBondContact O-N 3.09Å; L80-L83 HydrophobicContact CD2-CD1 4.07Å; L80-L83 PolarHBondContact O-N 3.42Å; L80-R84 PolarHBondContact O-N 2.7Å; L80-L92 HydrophobicContact CD2-CD2 4.39Å; L80-L94 HydrophobicContact CD2-CD1 3.8Å; L80-V111 HydrophobicContact CD1-CB 4.28Å; L80-V111 HydrophobicContact CD1-CG1 4.35Å; L80-V111 HydrophobicContact CD1-CG2 3.9Å; L80-C114 HydrophobicContact CB-CB 4.45Å; L80-C114 HydrophobicContact CD1-CB 4.35Å; L80-L115 HydrophobicContact CD2-CD1 4.37Å
81C91.4Very high94.2Very high18 Ų1851 Ų5112%0.12225%0.245CC..G310 helixtrans-56.1-33.3174.670.60000112S78 E79 L83 R84 T143S78-C81 WeakPolarHBondContact O-CB 3.26Å; S78-C81 PolarHBondContact O-N 2.96Å; S78-C81 VanDerWaalsContact O-N 3.08Å; S78-C81 PolarHBondContact O-SG 3.14Å; E79-C81 PolarHBondContact O-N 3.01Å; C81-L83 VanDerWaalsContact C-N 3.29Å; C81-L83 PolarHBondContact O-N 3.15Å; C81-R84 PolarHBondContact O-N 2.99Å; C81-T143 HydrophobicContact CB-CG2 3.8Å
82H93.4Very high94.3Very high54 Ų5444 Ų4425%0.2522%0.219CC..G310 helixtrans-72.5-22177.3-62.2-53.3000113L55 S56 A59 E79 L80 P85L55-H82 HydrophobicContact CB-CB 4.46Å; S56-H82 PolarHBondContact N-CD2 3.35Å; A59-H82 VanDerWaalsContact CA-O 3.32Å; A59-H82 WeakPolarHBondContact CA-O 3.38Å; A59-H82 HydrophobicContact CB-CB 4.27Å; A59-H82 WeakPolarHBondContact CB-O 3.12Å; E79-H82 PolarHBondContact O-N 2.66Å; E79-H82 IonicContact OE2-CD2 3.73Å; L80-H82 PolarHBondContact O-N 3.09Å; H82-P85 WeakPolarHBondContact O-CD 3.45Å
83L94.3Very high94.3Very high0 Ų046.5 Ų46.50%023%0.229CC..THydrogen-bonded Turntrans-91.3-13.6178.5-55.7-173.2000113.1L55 L58 L67 L80 C81 P85 L86 L89 L92 L115L55-L83 HydrophobicContact CB-CD2 4.43Å; L55-L83 HydrophobicContact CD1-CD1 3.89Å; L55-L83 HydrophobicContact CD1-CD2 4.44Å; L55-L83 HydrophobicContact CD1-CG 4.13Å; L58-L83 HydrophobicContact CB-CD2 4.2Å; L67-L83 HydrophobicContact CD2-CD1 3.98Å; L67-L83 HydrophobicContact CD2-CD2 4.04Å; L80-L83 HydrophobicContact CD2-CD1 4.07Å; L80-L83 PolarHBondContact O-N 3.42Å; C81-L83 VanDerWaalsContact C-N 3.29Å; C81-L83 PolarHBondContact O-N 3.15Å; L83-P85 VanDerWaalsContact C-N 3.34Å; L83-L86 HydrophobicContact CB-CD1 4.39Å; L83-L86 HydrophobicContact CD2-CD1 3.72Å; L83-L86 VanDerWaalsContact O-CB 3.25Å; L83-L86 WeakPolarHBondContact O-CB 3.31Å; L83-L86 WeakPolarHBondContact O-CG 3.21Å; L83-L86 PolarHBondContact O-N 3.06Å; L83-L89 HydrophobicContact CB-CD2 4.49Å; L83-L89 HydrophobicContact CD1-CD2 4.32Å; L83-L92 HydrophobicContact CD1-CD1 4.27Å; L83-L92 HydrophobicContact CD1-CD2 4.42Å; L83-L115 HydrophobicContact CB-CD1 4.26Å; L83-L115 HydrophobicContact CB-CD2 4.12Å; L83-L115 HydrophobicContact CD1-CD1 4.4Å
84R91.4Very high94.3Very high115 Ų11541.7 Ų41.743%0.43421%0.205SC..THydrogen-bonded Turntrans-53.6-39.3178.7-70.7-176.5177.1-175.30.9114.6L80 C81 L86 C114 V141L80-R84 PolarHBondContact O-N 2.7Å; C81-R84 PolarHBondContact O-N 2.99Å; R84-L86 PolarHBondContact O-N 3.05Å; R84-C114 PolarHBondContact NH2-SG 3.22Å; R84-V141 PolarHBondContact NH2-O 2.91Å
85P92Very high94.3Very high65 Ų6542.7 Ų42.742%0.42221%0.213SC..THydrogen-bonded Turntrans-67-16.5177.1-20.634.2000113.9L62 H82 L83 T87L62-P85 HydrophobicContact CD2-CB 4.33Å; H82-P85 WeakPolarHBondContact O-CD 3.45Å; L83-P85 VanDerWaalsContact C-N 3.34Å; P85-T87 VanDerWaalsContact C-N 3.26Å; P85-T87 PolarHBondContact O-N 2.81Å
86L94.5Very high94.3Very high5 Ų544.3 Ų44.33%0.02622%0.215CC..  trans-79.872.6-173.8-50.4-171.3000110.9C61 L62 L64 L83 R84 R88 L89C61-L86 WeakPolarHBondContact O-CD2 3.48Å; L62-L86 HydrophobicContact CD2-CD2 4.28Å; L64-L86 HydrophobicContact CB-CD1 4.35Å; L64-L86 HydrophobicContact CD2-CD1 3.87Å; L83-L86 HydrophobicContact CB-CD1 4.39Å; L83-L86 HydrophobicContact CD2-CD1 3.72Å; L83-L86 VanDerWaalsContact O-CB 3.25Å; L83-L86 WeakPolarHBondContact O-CB 3.31Å; L83-L86 WeakPolarHBondContact O-CG 3.21Å; L83-L86 PolarHBondContact O-N 3.06Å; R84-L86 PolarHBondContact O-N 3.05Å; L86-R88 PolarHBondContact O-N 3.3Å; L86-L89 HydrophobicContact CB-CB 4.08Å; L86-L89 WeakPolarHBondContact O-CB 3.41Å; L86-L89 PolarHBondContact O-N 3.12Å
87T92.4Very high94.5Very high70 Ų7041.5 Ų41.543%0.42920%0.198SC..THydrogen-bonded Turntrans-61.7-19.4-175.461.20000114.5P85 R117P85-T87 VanDerWaalsContact C-N 3.26Å; P85-T87 PolarHBondContact O-N 2.81Å; T87-R117 WeakPolarHBondContact O-CD 3.44Å
88R96Very high94.6Very high149 Ų14943.5 Ų43.556%0.56221%0.212SC*.THydrogen-bonded Turntrans-89.9-8.1178.6-68.4-177.8172.7-176.3-0113.9L64 S65 L86 R90L64-R88 CarbonylContact O-C 3.48Å; L64-R88 VanDerWaalsContact O-C 3.26Å; S65-R88 WeakPolarHBondContact CA-O 3.44Å; L86-R88 PolarHBondContact O-N 3.3Å; R88-R90 WeakPolarHBondContact O-CG 3.25Å; R88-R90 PolarHBondContact O-N 3.02Å
89L97.3Very high94.6Very high6 Ų643 Ų433%0.03121%0.209CC..  trans-67.5116.5-177.3-171.967.1000110.4L64 L67 L83 L86 L115 L118L64-L89 HydrophobicContact CD2-CD1 4.24Å; L64-L89 HydrophobicContact CG-CD1 4.23Å; L64-L89 VanDerWaalsContact O-CA 3.32Å; L64-L89 WeakPolarHBondContact O-CA 3.4Å; L64-L89 PolarHBondContact O-N 3.25Å; L64-L89 VanDerWaalsContact O-N 3.12Å; L67-L89 HydrophobicContact CB-CD1 3.87Å; L83-L89 HydrophobicContact CB-CD2 4.49Å; L83-L89 HydrophobicContact CD1-CD2 4.32Å; L86-L89 HydrophobicContact CB-CB 4.08Å; L86-L89 WeakPolarHBondContact O-CB 3.41Å; L86-L89 PolarHBondContact O-N 3.12Å; L89-L115 HydrophobicContact CD2-CD1 4.25Å; L89-L118 HydrophobicContact CG-CD1 4.28Å
90R97.2Very high94.5Very high95 Ų9543.1 Ų43.136%0.35821%0.212SC..  trans-112.4-31.8-178.9-59.3-49.6-177.3171.12.1112.9S65 R88 R117 L118 Q119 K120S65-R90 PolarHBondContact O-N 2.94Å; R88-R90 WeakPolarHBondContact O-CG 3.25Å; R88-R90 PolarHBondContact O-N 3.02Å; R90-R117 WeakPolarHBondContact CD-O 3.5Å; R90-R117 PolarHBondContact NH1-O 3.01Å; R90-L118 WeakPolarHBondContact O-CD1 3.25Å; R90-Q119 HydrophobicContact CB-CB 4.39Å; R90-Q119 HydrophobicContact CB-CG 4.3Å; R90-Q119 PolarHBondContact O-N 2.68Å; R90-K120 PolarHBondContact O-N 3.45Å
91V97.9Very high94.3Very high24 Ų2445.8 Ų45.815%0.14524%0.241CC..EExtended strand (participates in β ladder)trans-122.3125.7-178-174.60000109.7S65 E66 L67 Y68 K120S65-V91 PolarHBondContact O-N 3.12Å; E66-V91 HydrophobicContact CB-CB 4.24Å; E66-V91 HydrophobicContact CG-CB 3.98Å; E66-V91 HydrophobicContact CG-CG2 4.01Å; L67-V91 PolarHBondContact N-O 2.97Å; Y68-V91 HydrophobicContact CE1-CG1 4.08Å; V91-K120 WeakPolarHBondContact CA-O 3.38Å; V91-K120 HydrophobicContact CG1-CB 4.21Å; V91-K120 HydrophobicContact CG1-CD 4.47Å; V91-K120 HydrophobicContact CG1-CG 4.41Å; V91-K120 HydrophobicContact CG2-CB 4.19Å
92L97.9Very high94Very high1 Ų152 Ų521%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-133.1134.1177-179.760.7000109.7L67 L69 L80 L83 L94 V111 L115 L118 K120 L121 D122L67-L92 HydrophobicContact CB-CD1 4.1Å; L67-L92 HydrophobicContact CD2-CD1 4Å; L67-L92 HydrophobicContact CG-CD1 4.08Å; L67-L92 WeakPolarHBondContact O-CA 3.16Å; L69-L92 HydrophobicContact CD1-CD1 4.48Å; L80-L92 HydrophobicContact CD2-CD2 4.39Å; L83-L92 HydrophobicContact CD1-CD1 4.27Å; L83-L92 HydrophobicContact CD1-CD2 4.42Å; L92-L94 HydrophobicContact CD1-CD1 4.31Å; L92-L94 HydrophobicContact CD1-CD2 4.47Å; L92-L94 HydrophobicContact CD1-CG 4.02Å; L92-L94 HydrophobicContact CD2-CD1 3.69Å; L92-L94 HydrophobicContact CD2-CG 4.25Å; L92-L94 HydrophobicContact CG-CD1 3.97Å; L92-L94 HydrophobicContact CG-CG 3.96Å; L92-V111 HydrophobicContact CD2-CG1 4.22Å; L92-L115 HydrophobicContact CD2-CD1 3.62Å; L92-L118 HydrophobicContact CB-CD1 3.63Å; L92-L118 HydrophobicContact CB-CD2 3.89Å; L92-L118 HydrophobicContact CB-CG 4.39Å; L92-K120 PolarHBondContact N-O 3.2Å; L92-L121 HydrophobicContact CB-CD1 4.34Å; L92-L121 HydrophobicContact CD2-CD1 4.44Å; L92-L121 HydrophobicContact CG-CD1 4.32Å; L92-L121 VanDerWaalsContact O-CA 3.31Å; L92-L121 WeakPolarHBondContact O-CA 3.35Å; L92-D122 PolarHBondContact O-N 3.16Å
93W97.5Very high93.9Very high58 Ų5853 Ų5322%0.2229%0.285CS..EExtended strand (participates in β ladder)trans-128.4112.5174.8-160.4-24.4000109.7L67 Y68 L69 R70 D122 N123L67-W93 PolarHBondContact O-N 3.46Å; Y68-W93 HydrophobicContact CD1-CB 3.97Å; Y68-W93 HydrophobicContact CD1-CD2 4.46Å; Y68-W93 AromaticContact CD1-CE3 3.73Å; Y68-W93 HydrophobicContact CD1-CE3 3.73Å; Y68-W93 HydrophobicContact CE1-CE3 4Å; L69-W93 CarbonylContact C-O 3.23Å; L69-W93 VanDerWaalsContact C-O 3.27Å; L69-W93 VanDerWaalsContact CA-O 3.22Å; L69-W93 WeakPolarHBondContact CA-O 3.26Å; L69-W93 WeakPolarHBondContact CB-O 3.44Å; L69-W93 PolarHBondContact N-O 2.75Å; R70-W93 HydrophobicContact CB-CD2 4.44Å; R70-W93 HydrophobicContact CB-CG 4.15Å; R70-W93 PolarHBondContact N-O 2.96Å; W93-D122 WeakPolarHBondContact CA-OD1 3.28Å; W93-N123 HydrophobicContact CH2-CB 4Å; W93-N123 HydrophobicContact CZ2-CB 4.15Å; W93-N123 HydrophobicContact CZ3-CB 4.23Å
94L96.4Very high93.7Very high0 Ų057.5 Ų57.50%032%0.315CS..  trans-121.2-4.1-177.9-75.2170.2000113.3L69 I74 L80 L92 N97 C100 Y107 D122L69-L94 HydrophobicContact CB-CD2 3.99Å; L69-L94 HydrophobicContact CD1-CD2 3.9Å; I74-L94 HydrophobicContact CD1-CD2 3.42Å; I74-L94 VanDerWaalsContact CD1-CD2 3.42Å; L80-L94 HydrophobicContact CD2-CD1 3.8Å; L92-L94 HydrophobicContact CD1-CD1 4.31Å; L92-L94 HydrophobicContact CD1-CD2 4.47Å; L92-L94 HydrophobicContact CD1-CG 4.02Å; L92-L94 HydrophobicContact CD2-CD1 3.69Å; L92-L94 HydrophobicContact CD2-CG 4.25Å; L92-L94 HydrophobicContact CG-CD1 3.97Å; L92-L94 HydrophobicContact CG-CG 3.96Å; L94-N97 VanDerWaalsContact O-CB 3.25Å; L94-N97 WeakPolarHBondContact O-CB 3.21Å; L94-N97 PolarHBondContact O-N 3.45Å; L94-N97 PolarHBondContact O-ND2 3.3Å; L94-C100 PolarHBondContact O-SG 3.23Å; L94-C100 VanDerWaalsContact O-SG 3.42Å; L94-Y107 WeakPolarHBondContact CB-OH 3.19Å; L94-D122 PolarHBondContact N-OD1 2.7Å
95A95Very high93.6Very high24 Ų2456 Ų5620%0.19832%0.322CS..THydrogen-bonded Turntrans-47.6149.9176.600000113.4R70 R71 N97 D122R70-A95 VanDerWaalsContact CA-O 3.26Å; R70-A95 WeakPolarHBondContact CA-O 3.38Å; R70-A95 WeakPolarHBondContact CG-O 3.25Å; R71-A95 PolarHBondContact N-O 3.04Å; A95-N97 PolarHBondContact O-N 3.08Å; A95-D122 HydrophobicContact CB-CB 4.31Å; A95-D122 PolarHBondContact N-OD1 3.1Å
96E94.1Very high93.6Very high102 Ų10259.8 Ų59.848%0.47733%0.328SS..THydrogen-bonded Turntrans6027.5-174.7-58.9171.9-122.400113.6R70 R71R70-E96 IonicContact CZ-OE1 2.63Å; R70-E96 IonicContact NE-OE1 3.72Å; R70-E96 PolarHBondContact NE-OE1 3.19Å; R70-E96 IonicContact NH2-OE1 2.7Å; R70-E96 PolarHBondContact NH2-OE1 2.93Å; R71-E96 WeakPolarHBondContact CA-O 3.25Å; R71-E96 HydrophobicContact CB-CB 4.05Å
97N96.1Very high93.5Very high8 Ų860.4 Ų60.44%0.04333%0.33CS..SBendtrans-104.3151.8164-77.5-94.7000110.5L69 N72 M73 I74 L94 A95 C99 C100L69-N97 PolarHBondContact O-ND2 3.21Å; N72-N97 WeakPolarHBondContact CA-OD1 3.46Å; N72-N97 WeakPolarHBondContact CB-OD1 3.22Å; N72-N97 PolarHBondContact N-OD1 2.78Å; N72-N97 PolarHBondContact O-OD1 2.9Å; N72-N97 VanDerWaalsContact O-OD1 3.12Å; M73-N97 PolarHBondContact N-OD1 2.9Å; I74-N97 HydrophobicContact CB-CB 4.18Å; I74-N97 WeakPolarHBondContact CB-OD1 3.32Å; I74-N97 WeakPolarHBondContact CG1-OD1 3.43Å; I74-N97 PolarHBondContact N-OD1 3.39Å; I74-N97 VanDerWaalsContact N-OD1 3.14Å; L94-N97 VanDerWaalsContact O-CB 3.25Å; L94-N97 WeakPolarHBondContact O-CB 3.21Å; L94-N97 PolarHBondContact O-N 3.45Å; L94-N97 PolarHBondContact O-ND2 3.3Å; A95-N97 PolarHBondContact O-N 3.08Å; N97-C99 VanDerWaalsContact CB-SG 3.56Å; N97-C99 PolarHBondContact O-N 3.21Å; N97-C99 VanDerWaalsContact O-N 3.14Å; N97-C100 WeakPolarHBondContact O-CB 3.42Å; N97-C100 PolarHBondContact O-N 3.19Å; N97-C100 VanDerWaalsContact O-N 3.08Å
98P94.1Very high93.7Very high69 Ų6958.5 Ų58.545%0.44832%0.315SS..G310 helixtrans-53.6-31.8173.9-24.731.4000113.9I74 C100 G101I74-P98 WeakPolarHBondContact O-CB 3.49Å; I74-P98 VanDerWaalsContact O-CD 3.27Å; I74-P98 WeakPolarHBondContact O-CD 3.48Å; P98-C100 PolarHBondContact O-N 3.16Å; P98-C100 VanDerWaalsContact O-N 3.15Å; P98-G101 PolarHBondContact O-N 2.86Å; P98-G101 VanDerWaalsContact O-N 3.09Å
99C92.7Very high93.6Very high11 Ų1153.1 Ų53.17%0.07430%0.297CS..G310 helixtrans-62.6-17.7178.667.80000115.1I74 L77 N97 G101I74-C99 HydrophobicContact CG2-CB 4.08Å; I74-C99 WeakPolarHBondContact O-CB 3.39Å; I74-C99 PolarHBondContact O-N 3.48Å; L77-C99 HydrophobicContact CD2-CB 3.99Å; L77-C99 HydrophobicContact CG-CB 4.39Å; N97-C99 VanDerWaalsContact CB-SG 3.56Å; N97-C99 PolarHBondContact O-N 3.21Å; N97-C99 VanDerWaalsContact O-N 3.14Å; C99-G101 PolarHBondContact O-N 3.23Å
100C90.8Very high93.4Very high27 Ų2753.1 Ų53.118%0.18230%0.297CS..G310 helixtrans-66.5-22.2174.7-63.40000112.3L94 N97 P98 Y107L94-C100 PolarHBondContact O-SG 3.23Å; L94-C100 VanDerWaalsContact O-SG 3.42Å; N97-C100 WeakPolarHBondContact O-CB 3.42Å; N97-C100 PolarHBondContact O-N 3.19Å; N97-C100 VanDerWaalsContact O-N 3.08Å; P98-C100 PolarHBondContact O-N 3.16Å; P98-C100 VanDerWaalsContact O-N 3.15Å; C100-Y107 HydrophobicContact CB-CD2 4.34Å; C100-Y107 HydrophobicContact CB-CE2 4.38Å
101G88.3Confident93.3Very high61 Ų6148.6 Ų48.663%0.62928%0.28SS*.  trans57.7-158.3177.200000113.5P98 C99P98-G101 PolarHBondContact O-N 2.86Å; P98-G101 VanDerWaalsContact O-N 3.09Å; C99-G101 PolarHBondContact O-N 3.23Å
102T85.8Confident93.1Very high149 Ų14947.5 Ų47.591%0.91427%0.273SS*.SBendtrans-96.2-13.2179.751.20000113.7P104T102-P104 WeakPolarHBondContact O-CD 3.17Å
103D90.1Very high92.9Very high73 Ų7350.7 Ų50.739%0.3929%0.285SS..  trans-114.898.2-177.4-175.8-15.6000110.4S105 R106 Y107D103-S105 VanDerWaalsContact C-N 3.29Å; D103-S105 PolarHBondContact O-N 2.6Å; D103-S105 WeakPolarHBondContact OD1-CB 3.47Å; D103-S105 PolarHBondContact OD1-N 2.99Å; D103-R106 HydrophobicContact CB-CB 4.04Å; D103-R106 VanDerWaalsContact CG-CB 3.41Å; D103-R106 PolarHBondContact OD1-N 3.01Å; D103-R106 VanDerWaalsContact OD2-CB 3.25Å; D103-R106 WeakPolarHBondContact OD2-CB 3.33Å; D103-Y107 VanDerWaalsContact O-CB 3.26Å; D103-Y107 WeakPolarHBondContact O-CB 3.42Å; D103-Y107 PolarHBondContact O-N 2.88Å
104P89.6Confident92.7Very high95 Ų9548.5 Ų48.562%0.61728%0.278SS*.Hα-helixtrans-64-31.6179.6-22.834.4000113.9T102 R108T102-P104 WeakPolarHBondContact O-CD 3.17Å; P104-R108 WeakPolarHBondContact O-CB 3.42Å; P104-R108 PolarHBondContact O-N 3.22Å
105S90.3Very high92.6Very high83 Ų8349.1 Ų49.158%0.5828%0.282SS*.Hα-helixtrans-71.5-51-177.5-62.10000110.1D103 Y107 R108 L109D103-S105 VanDerWaalsContact C-N 3.29Å; D103-S105 PolarHBondContact O-N 2.6Å; D103-S105 WeakPolarHBondContact OD1-CB 3.47Å; D103-S105 PolarHBondContact OD1-N 2.99Å; S105-Y107 VanDerWaalsContact C-N 3.33Å; S105-Y107 PolarHBondContact O-N 3.38Å; S105-R108 PolarHBondContact O-N 2.82Å; S105-L109 WeakPolarHBondContact O-CG 3.46Å; S105-L109 PolarHBondContact O-N 3.33Å
106R91Very high92.5Very high146 Ų14650.7 Ų50.755%0.55129%0.29SS*.Hα-helixtrans-62.2-41.2175.9-175176.1176.3-129.2-5.8111.7D103 R108 T110 D139D103-R106 HydrophobicContact CB-CB 4.04Å; D103-R106 VanDerWaalsContact CG-CB 3.41Å; D103-R106 PolarHBondContact OD1-N 3.01Å; D103-R106 VanDerWaalsContact OD2-CB 3.25Å; D103-R106 WeakPolarHBondContact OD2-CB 3.33Å; R106-R108 PolarHBondContact O-N 3.04Å; R106-T110 VanDerWaalsContact O-CB 3.25Å; R106-T110 WeakPolarHBondContact O-CB 3.42Å; R106-T110 PolarHBondContact O-N 3.4Å; R106-T110 PolarHBondContact O-OG1 2.97Å; R106-D139 IonicContact CZ-OD2 3.03Å; R106-D139 IonicContact NE-OD2 2.73Å; R106-D139 PolarHBondContact NE-OD2 2.98Å; R106-D139 IonicContact NH2-OD1 2.73Å; R106-D139 IonicContact NH2-OD2 2.73Å; R106-D139 PolarHBondContact NH2-OD2 3.26Å
107Y93.8Very high92.5Very high18 Ų1852.5 Ų52.57%0.07129%0.293CS..Hα-helixtrans-54.6-52.1172.8159.1-99.1000111.7L77 L94 C100 D103 S105 T110 V111 D122L77-Y107 HydrophobicContact CD1-CD2 4.17Å; L77-Y107 HydrophobicContact CD2-CD2 3.77Å; L77-Y107 HydrophobicContact CD2-CE2 3.8Å; L77-Y107 HydrophobicContact CG-CD2 4.48Å; L94-Y107 WeakPolarHBondContact CB-OH 3.19Å; C100-Y107 HydrophobicContact CB-CD2 4.34Å; C100-Y107 HydrophobicContact CB-CE2 4.38Å; D103-Y107 VanDerWaalsContact O-CB 3.26Å; D103-Y107 WeakPolarHBondContact O-CB 3.42Å; D103-Y107 PolarHBondContact O-N 2.88Å; S105-Y107 VanDerWaalsContact C-N 3.33Å; S105-Y107 PolarHBondContact O-N 3.38Å; Y107-T110 PolarHBondContact O-N 3.05Å; Y107-V111 HydrophobicContact CD2-CG2 3.96Å; Y107-V111 HydrophobicContact CE2-CG2 3.6Å; Y107-V111 WeakPolarHBondContact O-CG2 3.26Å; Y107-V111 PolarHBondContact O-N 2.79Å; Y107-D122 WeakPolarHBondContact CE1-OD2 3.3Å; Y107-D122 VanDerWaalsContact CZ-OD2 3.31Å; Y107-D122 PolarHBondContact OH-OD2 2.96Å
108R95.1Very high92.5Very high30 Ų3052.3 Ų52.311%0.11329%0.292CS..Hα-helixtrans-62.4-48.6-177.6-179.1168.3-178.685.9-0.9111.2P104 S105 R106 T110 V111 L112 L121 V125 E130P104-R108 WeakPolarHBondContact O-CB 3.42Å; P104-R108 PolarHBondContact O-N 3.22Å; S105-R108 PolarHBondContact O-N 2.82Å; R106-R108 PolarHBondContact O-N 3.04Å; R108-T110 PolarHBondContact O-N 3.07Å; R108-V111 PolarHBondContact O-N 3.25Å; R108-L112 HydrophobicContact CG-CD1 4.09Å; R108-L112 VanDerWaalsContact O-CG 3.28Å; R108-L112 WeakPolarHBondContact O-CG 3.32Å; R108-L112 PolarHBondContact O-N 3.25Å; R108-L121 HydrophobicContact CG-CD2 4.14Å; R108-V125 PolarHBondContact NH2-O 3.44Å; R108-E130 IonicContact CZ-OE1 2.69Å; R108-E130 VanDerWaalsContact CZ-OE1 3.3Å; R108-E130 IonicContact CZ-OE2 2.7Å; R108-E130 IonicContact NE-OE1 3.3Å; R108-E130 PolarHBondContact NE-OE1 2.97Å; R108-E130 IonicContact NE-OE2 3.66Å; R108-E130 VanDerWaalsContact NH2-CD 3.28Å; R108-E130 IonicContact NH2-OE1 2.78Å; R108-E130 PolarHBondContact NH2-OE1 2.86Å; R108-E130 IonicContact NH2-OE2 3.62Å; R108-E130 PolarHBondContact NH2-OE2 3.13Å
109L93.9Very high92.6Very high36 Ų3654.3 Ų54.319%0.18830%0.295CS..Hα-helixtrans-59.9-45.5178-67.7171.3000111.5S105 V111 L112 R113 L133 A134S105-L109 WeakPolarHBondContact O-CG 3.46Å; S105-L109 PolarHBondContact O-N 3.33Å; L109-V111 PolarHBondContact O-N 2.73Å; L109-L112 PolarHBondContact O-N 2.87Å; L109-R113 WeakPolarHBondContact O-CB 3.22Å; L109-R113 PolarHBondContact O-N 3.05Å; L109-L133 HydrophobicContact CD2-CB 4.07Å; L109-A134 HydrophobicContact CB-CB 4.39Å; L109-A134 HydrophobicContact CD2-CB 3.99Å; L109-A134 VanDerWaalsContact O-CB 3.3Å; L109-A134 WeakPolarHBondContact O-CB 3.34Å
110T93.6Very high92.8Very high5 Ų557.1 Ų57.13%0.03131%0.306CS..Hα-helixtrans-64.9-38.6-180-64.60000112.6L77 R106 Y107 R108 C114 D139 V141L77-T110 HydrophobicContact CB-CG2 4.47Å; L77-T110 HydrophobicContact CD1-CG2 3.58Å; R106-T110 VanDerWaalsContact O-CB 3.25Å; R106-T110 WeakPolarHBondContact O-CB 3.42Å; R106-T110 PolarHBondContact O-N 3.4Å; R106-T110 PolarHBondContact O-OG1 2.97Å; Y107-T110 PolarHBondContact O-N 3.05Å; R108-T110 PolarHBondContact O-N 3.07Å; T110-C114 PolarHBondContact O-N 3.03Å; T110-C114 VanDerWaalsContact O-N 3.16Å; T110-C114 PolarHBondContact O-SG 2.73Å; T110-D139 HydrophobicContact CG2-CB 4.13Å; T110-D139 PolarHBondContact OG1-N 3.33Å; T110-D139 VanDerWaalsContact OG1-N 3.1Å; T110-V141 HydrophobicContact CG2-CG2 3.41Å; T110-V141 VanDerWaalsContact CG2-CG2 3.41Å
111V95Very high93.1Very high0 Ų055.9 Ų55.90%030%0.297CS..Hα-helixtrans-63.4-47.1174175.10000110.6L77 L80 L92 Y107 R108 L109 C114 L115 L121L77-V111 HydrophobicContact CD2-CG2 3.91Å; L80-V111 HydrophobicContact CD1-CB 4.28Å; L80-V111 HydrophobicContact CD1-CG1 4.35Å; L80-V111 HydrophobicContact CD1-CG2 3.9Å; L92-V111 HydrophobicContact CD2-CG1 4.22Å; Y107-V111 HydrophobicContact CD2-CG2 3.96Å; Y107-V111 HydrophobicContact CE2-CG2 3.6Å; Y107-V111 WeakPolarHBondContact O-CG2 3.26Å; Y107-V111 PolarHBondContact O-N 2.79Å; R108-V111 PolarHBondContact O-N 3.25Å; L109-V111 PolarHBondContact O-N 2.73Å; V111-C114 PolarHBondContact O-N 2.98Å; V111-L115 PolarHBondContact O-N 2.99Å; V111-L121 HydrophobicContact CB-CD2 3.91Å; V111-L121 HydrophobicContact CG1-CD1 3.84Å; V111-L121 HydrophobicContact CG1-CD2 3.72Å; V111-L121 HydrophobicContact CG1-CG 4.44Å; V111-L121 HydrophobicContact CG2-CD2 4.45Å
112L94.9Very high93.4Very high1 Ų154.1 Ų54.11%0.00527%0.274CS..Hα-helixtrans-67.1-36.1-179.1-66.9-178.5000112.5R108 L109 C114 L115 P116 L118 L121 V126 E130 A134R108-L112 HydrophobicContact CG-CD1 4.09Å; R108-L112 VanDerWaalsContact O-CG 3.28Å; R108-L112 WeakPolarHBondContact O-CG 3.32Å; R108-L112 PolarHBondContact O-N 3.25Å; L109-L112 PolarHBondContact O-N 2.87Å; L112-C114 VanDerWaalsContact C-N 3.29Å; L112-C114 PolarHBondContact O-N 2.97Å; L112-L115 CarbonylContact O-C 3.51Å; L112-L115 VanDerWaalsContact O-C 3.23Å; L112-L115 PolarHBondContact O-N 3.47Å; L112-P116 VanDerWaalsContact O-CA 3.22Å; L112-P116 WeakPolarHBondContact O-CA 3.34Å; L112-P116 VanDerWaalsContact O-N 3.09Å; L112-L118 HydrophobicContact CD2-CB 4.43Å; L112-L118 HydrophobicContact CD2-CD2 4.31Å; L112-L121 HydrophobicContact CD2-CD2 4.44Å; L112-V126 HydrophobicContact CD1-CG1 3.86Å; L112-V126 HydrophobicContact CD2-CB 4.29Å; L112-V126 HydrophobicContact CD2-CG1 3.57Å; L112-V126 HydrophobicContact CD2-CG2 3.69Å; L112-V126 HydrophobicContact CG-CG1 4.35Å; L112-E130 HydrophobicContact CD1-CB 3.88Å; L112-A134 HydrophobicContact CB-CB 3.6Å
113R93.8Very high93.8Very high69 Ų6951.5 Ų51.526%0.2625%0.254SS..Hα-helixtrans-60.9-40.3172.3-174.6173.5171.81515.2111.4L109 A134 G138 E140L109-R113 WeakPolarHBondContact O-CB 3.22Å; L109-R113 PolarHBondContact O-N 3.05Å; R113-A134 HydrophobicContact CB-CB 4.39Å; R113-A134 WeakPolarHBondContact CB-O 3.32Å; R113-A134 WeakPolarHBondContact CD-O 3.31Å; R113-G138 VanDerWaalsContact CD-C 3.44Å; R113-G138 WeakPolarHBondContact CD-O 3.42Å; R113-G138 PolarHBondContact NH1-O 2.89Å; R113-E140 IonicContact CZ-OE1 3.76Å; R113-E140 VanDerWaalsContact NH2-CD 3.27Å; R113-E140 IonicContact NH2-OE1 3.03Å; R113-E140 PolarHBondContact NH2-OE1 3Å
114C92.5Very high94Very high11 Ų1153.8 Ų53.87%0.07426%0.262CS..Hα-helixtrans-75.1-33.8179.1-70.90000113.5L80 R84 T110 V111 L112 V141L80-C114 HydrophobicContact CB-CB 4.45Å; L80-C114 HydrophobicContact CD1-CB 4.35Å; R84-C114 PolarHBondContact NH2-SG 3.22Å; T110-C114 PolarHBondContact O-N 3.03Å; T110-C114 VanDerWaalsContact O-N 3.16Å; T110-C114 PolarHBondContact O-SG 2.73Å; V111-C114 PolarHBondContact O-N 2.98Å; L112-C114 VanDerWaalsContact C-N 3.29Å; L112-C114 PolarHBondContact O-N 2.97Å; C114-V141 WeakPolarHBondContact SG-CB 3.1Å; C114-V141 WeakPolarHBondContact SG-CG2 3.22Å
115L94.4Very high94.4Very high14 Ų1454.4 Ų54.47%0.07326%0.264CS..  trans-129.668.5-175.2-60.2173.6000110.1L80 L83 L89 L92 V111 L112 R117 L118L80-L115 HydrophobicContact CD2-CD1 4.37Å; L83-L115 HydrophobicContact CB-CD1 4.26Å; L83-L115 HydrophobicContact CB-CD2 4.12Å; L83-L115 HydrophobicContact CD1-CD1 4.4Å; L89-L115 HydrophobicContact CD2-CD1 4.25Å; L92-L115 HydrophobicContact CD2-CD1 3.62Å; V111-L115 PolarHBondContact O-N 2.99Å; L112-L115 CarbonylContact O-C 3.51Å; L112-L115 VanDerWaalsContact O-C 3.23Å; L112-L115 PolarHBondContact O-N 3.47Å; L115-R117 PolarHBondContact O-N 3.45Å; L115-L118 VanDerWaalsContact O-CB 3.3Å; L115-L118 WeakPolarHBondContact O-CB 3.41Å; L115-L118 PolarHBondContact O-N 3.34Å
116P92.7Very high94.6Very high57 Ų5751.1 Ų51.137%0.3724%0.24SC..THydrogen-bonded Turntrans-69.6-8.2-172.827.9-36.7000114L112 L118 I131L112-P116 VanDerWaalsContact O-CA 3.22Å; L112-P116 WeakPolarHBondContact O-CA 3.34Å; L112-P116 VanDerWaalsContact O-N 3.09Å; P116-L118 VanDerWaalsContact C-N 3.33Å; P116-I131 HydrophobicContact CB-CG2 4.06Å; P116-I131 WeakPolarHBondContact O-CD1 3.07Å
117R94.3Very high94.8Very high140 Ų14047 Ų4753%0.52823%0.232SC..THydrogen-bonded Turntrans-88.4-0.6178.8-67.6-170.7179.4105.9-1.3113.6T87 R90 L115T87-R117 WeakPolarHBondContact O-CD 3.44Å; R90-R117 WeakPolarHBondContact CD-O 3.5Å; R90-R117 PolarHBondContact NH1-O 3.01Å; L115-R117 PolarHBondContact O-N 3.45Å
118L95.3Very high94.7Very high4 Ų453.9 Ų53.92%0.02126%0.264CS..  trans-73134-175.8-158.574.6000110.6L89 R90 L92 L112 L115 P116 L121L89-L118 HydrophobicContact CG-CD1 4.28Å; R90-L118 WeakPolarHBondContact O-CD1 3.25Å; L92-L118 HydrophobicContact CB-CD1 3.63Å; L92-L118 HydrophobicContact CB-CD2 3.89Å; L92-L118 HydrophobicContact CB-CG 4.39Å; L112-L118 HydrophobicContact CD2-CB 4.43Å; L112-L118 HydrophobicContact CD2-CD2 4.31Å; L115-L118 VanDerWaalsContact O-CB 3.3Å; L115-L118 WeakPolarHBondContact O-CB 3.41Å; L115-L118 PolarHBondContact O-N 3.34Å; P116-L118 VanDerWaalsContact C-N 3.33Å; L118-L121 HydrophobicContact CD2-CB 3.72Å; L118-L121 HydrophobicContact CD2-CD1 4Å; L118-L121 HydrophobicContact CD2-CG 4.32Å
119Q96.2Very high94.6Very high111 Ų11158.4 Ų58.452%0.51929%0.287SS..SBendtrans-100.3-24.6178.1-67.3175.2-10.800112R90 V126R90-Q119 HydrophobicContact CB-CB 4.39Å; R90-Q119 HydrophobicContact CB-CG 4.3Å; R90-Q119 PolarHBondContact O-N 2.68Å; Q119-V126 PolarHBondContact O-N 3.44Å
120K97.5Very high94.6Very high70 Ų7059.1 Ų59.130%0.30429%0.289SS..EExtended strand (participates in β ladder)trans-145.7125.8-178-171.1167.7176.5171.40110.8R90 V91 L92 N123 Q124R90-K120 PolarHBondContact O-N 3.45Å; V91-K120 WeakPolarHBondContact CA-O 3.38Å; V91-K120 HydrophobicContact CG1-CB 4.21Å; V91-K120 HydrophobicContact CG1-CD 4.47Å; V91-K120 HydrophobicContact CG1-CG 4.41Å; V91-K120 HydrophobicContact CG2-CB 4.19Å; L92-K120 PolarHBondContact N-O 3.2Å; K120-N123 VanDerWaalsContact CE-C 3.5Å; K120-N123 WeakPolarHBondContact CE-O 3.41Å; K120-N123 WeakPolarHBondContact CE-OD1 3.25Å; K120-N123 PolarHBondContact NZ-OD1 2.83Å; K120-Q124 CarbonylContact C-O 3.58Å; K120-Q124 WeakPolarHBondContact CA-O 3.47Å; K120-Q124 WeakPolarHBondContact CG-O 3.34Å
121L97.1Very high94.5Very high0 Ų060.8 Ų60.80%030%0.298CS..EExtended strand (participates in β ladder)trans-124125.9176-18060000109.7L92 R108 V111 L112 L118 N123 Q124 V126L92-L121 HydrophobicContact CB-CD1 4.34Å; L92-L121 HydrophobicContact CD2-CD1 4.44Å; L92-L121 HydrophobicContact CG-CD1 4.32Å; L92-L121 VanDerWaalsContact O-CA 3.31Å; L92-L121 WeakPolarHBondContact O-CA 3.35Å; R108-L121 HydrophobicContact CG-CD2 4.14Å; V111-L121 HydrophobicContact CB-CD2 3.91Å; V111-L121 HydrophobicContact CG1-CD1 3.84Å; V111-L121 HydrophobicContact CG1-CD2 3.72Å; V111-L121 HydrophobicContact CG1-CG 4.44Å; V111-L121 HydrophobicContact CG2-CD2 4.45Å; L112-L121 HydrophobicContact CD2-CD2 4.44Å; L118-L121 HydrophobicContact CD2-CB 3.72Å; L118-L121 HydrophobicContact CD2-CD1 4Å; L118-L121 HydrophobicContact CD2-CG 4.32Å; L121-N123 VanDerWaalsContact C-N 3.27Å; L121-N123 PolarHBondContact O-N 2.92Å; L121-Q124 PolarHBondContact N-O 2.88Å; L121-Q124 WeakPolarHBondContact O-CA 3.43Å; L121-Q124 WeakPolarHBondContact O-CB 3.4Å; L121-Q124 PolarHBondContact O-N 3.26Å; L121-Q124 VanDerWaalsContact O-O 3.13Å; L121-V126 HydrophobicContact CB-CG2 4.05Å
122D95.6Very high94.4Very high25 Ų2563.3 Ų63.313%0.13432%0.318CS..THydrogen-bonded Turntrans52.544174.4-62.5-38.5000114.1L92 W93 L94 A95 Y107 Q124L92-D122 PolarHBondContact O-N 3.16Å; W93-D122 WeakPolarHBondContact CA-OD1 3.28Å; L94-D122 PolarHBondContact N-OD1 2.7Å; A95-D122 HydrophobicContact CB-CB 4.31Å; A95-D122 PolarHBondContact N-OD1 3.1Å; Y107-D122 WeakPolarHBondContact CE1-OD2 3.3Å; Y107-D122 VanDerWaalsContact CZ-OD2 3.31Å; Y107-D122 PolarHBondContact OH-OD2 2.96Å; D122-Q124 PolarHBondContact O-N 2.63Å
123N92.9Very high94.3Very high94 Ų9467.3 Ų67.350%0.50334%0.339SS..THydrogen-bonded Turntrans67.15.4-175.5-161.242.6000116W93 K120 L121W93-N123 HydrophobicContact CH2-CB 4Å; W93-N123 HydrophobicContact CZ2-CB 4.15Å; W93-N123 HydrophobicContact CZ3-CB 4.23Å; K120-N123 VanDerWaalsContact CE-C 3.5Å; K120-N123 WeakPolarHBondContact CE-O 3.41Å; K120-N123 WeakPolarHBondContact CE-OD1 3.25Å; K120-N123 PolarHBondContact NZ-OD1 2.83Å; L121-N123 VanDerWaalsContact C-N 3.27Å; L121-N123 PolarHBondContact O-N 2.92Å
124Q95.4Very high94.2Very high120 Ų12064 Ų6456%0.56133%0.327SS*.EExtended strand (participates in β ladder)trans-103.7134.4174.9-60.6-174.168.700110.4K120 L121 D122K120-Q124 CarbonylContact C-O 3.58Å; K120-Q124 WeakPolarHBondContact CA-O 3.47Å; K120-Q124 WeakPolarHBondContact CG-O 3.34Å; L121-Q124 PolarHBondContact N-O 2.88Å; L121-Q124 WeakPolarHBondContact O-CA 3.43Å; L121-Q124 WeakPolarHBondContact O-CB 3.4Å; L121-Q124 PolarHBondContact O-N 3.26Å; L121-Q124 VanDerWaalsContact O-O 3.13Å; D122-Q124 PolarHBondContact O-N 2.63Å
125V96.1Very high94.1Very high108 Ų10868.9 Ų68.966%0.65535%0.351SS*.EExtended strand (participates in β ladder)trans-62.4142.2172.3179.30000108.4R108R108-V125 PolarHBondContact NH2-O 3.44Å
126V95.5Very high93.7Very high14 Ų1475.6 Ų75.69%0.08539%0.385CS..PPolyproline II helixtrans-97.2127.8174.8178.50000107.7L112 Q119 L121 E130 I131L112-V126 HydrophobicContact CD1-CG1 3.86Å; L112-V126 HydrophobicContact CD2-CB 4.29Å; L112-V126 HydrophobicContact CD2-CG1 3.57Å; L112-V126 HydrophobicContact CD2-CG2 3.69Å; L112-V126 HydrophobicContact CG-CG1 4.35Å; Q119-V126 PolarHBondContact O-N 3.44Å; L121-V126 HydrophobicContact CB-CG2 4.05Å; V126-E130 WeakPolarHBondContact CA-OE2 3.3Å; V126-I131 HydrophobicContact CG1-CD1 3.82Å; V126-I131 HydrophobicContact CG1-CG1 3.62Å
127T94.9Very high93.4Very high60 Ų6079.2 Ų79.237%0.36840%0.396SS..PPolyproline II helixtrans-97161.6175.981.60000111.6E129 E130 I131T127-E129 VanDerWaalsContact C-N 3.25Å; T127-E129 WeakPolarHBondContact CB-OE2 3.22Å; T127-E129 PolarHBondContact O-N 3.3Å; T127-E129 PolarHBondContact OG1-OE2 3.04Å; T127-E130 PolarHBondContact N-OE2 3.21Å; T127-E130 PolarHBondContact O-N 2.91Å; T127-E130 PolarHBondContact OG1-N 3.43Å; T127-I131 WeakPolarHBondContact O-CG1 3.35Å; T127-I131 PolarHBondContact O-N 3.16Å
128E92.6Very high92.7Very high162 Ų16272.7 Ų72.776%0.75737%0.373SS*.Hα-helixtrans-65.5-32.4179.2-66.9-176.317800111.7I131 A132E128-I131 PolarHBondContact O-N 3.26Å; E128-A132 PolarHBondContact O-N 2.7Å
129E92.8Very high92.1Very high126 Ų12675.4 Ų75.459%0.58939%0.387SS*.Hα-helixtrans-64.2-42.2175.9-56.476.2-164.900111.2T127 I131 A132 L133T127-E129 VanDerWaalsContact C-N 3.25Å; T127-E129 WeakPolarHBondContact CB-OE2 3.22Å; T127-E129 PolarHBondContact O-N 3.3Å; T127-E129 PolarHBondContact OG1-OE2 3.04Å; E129-I131 VanDerWaalsContact C-N 3.31Å; E129-I131 PolarHBondContact O-N 3.5Å; E129-A132 PolarHBondContact O-N 3.36Å; E129-L133 WeakPolarHBondContact O-CB 3.2Å; E129-L133 VanDerWaalsContact O-CG 3.29Å; E129-L133 WeakPolarHBondContact O-CG 3.5Å; E129-L133 PolarHBondContact O-N 2.95Å
130E92.8Very high91.2Very high50 Ų5076.5 Ų76.523%0.23439%0.393CS..Hα-helixtrans-64.3-37.2176.4-67.8-178.7119.600112R108 L112 V126 T127 A134R108-E130 IonicContact CZ-OE1 2.69Å; R108-E130 VanDerWaalsContact CZ-OE1 3.3Å; R108-E130 IonicContact CZ-OE2 2.7Å; R108-E130 IonicContact NE-OE1 3.3Å; R108-E130 PolarHBondContact NE-OE1 2.97Å; R108-E130 IonicContact NE-OE2 3.66Å; R108-E130 VanDerWaalsContact NH2-CD 3.28Å; R108-E130 IonicContact NH2-OE1 2.78Å; R108-E130 PolarHBondContact NH2-OE1 2.86Å; R108-E130 IonicContact NH2-OE2 3.62Å; R108-E130 PolarHBondContact NH2-OE2 3.13Å; L112-E130 HydrophobicContact CD1-CB 3.88Å; V126-E130 WeakPolarHBondContact CA-OE2 3.3Å; T127-E130 PolarHBondContact N-OE2 3.21Å; T127-E130 PolarHBondContact O-N 2.91Å; T127-E130 PolarHBondContact OG1-N 3.43Å; E130-A134 WeakPolarHBondContact O-CB 3.48Å; E130-A134 PolarHBondContact O-N 3.44Å
131I93.1Very high90.3Very high41 Ų4173.9 Ų73.921%0.2138%0.383CS..Hα-helixtrans-66.4-42.6175.8-64.5164.5000110.1P116 V126 T127 E128 E129 A134 L135P116-I131 HydrophobicContact CB-CG2 4.06Å; P116-I131 WeakPolarHBondContact O-CD1 3.07Å; V126-I131 HydrophobicContact CG1-CD1 3.82Å; V126-I131 HydrophobicContact CG1-CG1 3.62Å; T127-I131 WeakPolarHBondContact O-CG1 3.35Å; T127-I131 PolarHBondContact O-N 3.16Å; E128-I131 PolarHBondContact O-N 3.26Å; E129-I131 VanDerWaalsContact C-N 3.31Å; E129-I131 PolarHBondContact O-N 3.5Å; I131-A134 PolarHBondContact O-N 3.3Å; I131-L135 PolarHBondContact O-N 3.41Å
132A92.5Very high88.7Confident53 Ų5378.1 Ų78.144%0.43841%0.412SS..Hα-helixtrans-61.8-46.5176.600000111.5E128 E129 A134 L135 M136E128-A132 PolarHBondContact O-N 2.7Å; E129-A132 PolarHBondContact O-N 3.36Å; A132-A134 PolarHBondContact O-N 3.03Å; A132-L135 PolarHBondContact O-N 3.24Å; A132-M136 WeakPolarHBondContact O-CG 3.48Å; A132-M136 PolarHBondContact O-N 3.49Å
133L91.8Very high86.5Confident84 Ų8481.1 Ų81.144%0.4443%0.431SS..Hα-helixtrans-60.7-44.6174.9-70.5171.1000111.6L109 E129 L135 M136 E137L109-L133 HydrophobicContact CD2-CB 4.07Å; E129-L133 WeakPolarHBondContact O-CB 3.2Å; E129-L133 VanDerWaalsContact O-CG 3.29Å; E129-L133 WeakPolarHBondContact O-CG 3.5Å; E129-L133 PolarHBondContact O-N 2.95Å; L133-L135 VanDerWaalsContact C-N 3.28Å; L133-L135 PolarHBondContact O-N 2.86Å; L133-M136 PolarHBondContact O-N 3.34Å; L133-M136 VanDerWaalsContact O-N 3.13Å; L133-E137 PolarHBondContact O-N 3.29Å
134A92.6Very high84.1Confident0 Ų081.2 Ų81.20%044%0.437CS..Hα-helixtrans-60.9-36.3177.600000112.8L109 L112 R113 E130 I131 A132 M136 G138L109-A134 HydrophobicContact CB-CB 4.39Å; L109-A134 HydrophobicContact CD2-CB 3.99Å; L109-A134 VanDerWaalsContact O-CB 3.3Å; L109-A134 WeakPolarHBondContact O-CB 3.34Å; L112-A134 HydrophobicContact CB-CB 3.6Å; R113-A134 HydrophobicContact CB-CB 4.39Å; R113-A134 WeakPolarHBondContact CB-O 3.32Å; R113-A134 WeakPolarHBondContact CD-O 3.31Å; E130-A134 WeakPolarHBondContact O-CB 3.48Å; E130-A134 PolarHBondContact O-N 3.44Å; I131-A134 PolarHBondContact O-N 3.3Å; A132-A134 PolarHBondContact O-N 3.03Å; A134-M136 VanDerWaalsContact C-N 3.3Å; A134-M136 PolarHBondContact O-N 2.68Å; A134-G138 VanDerWaalsContact O-CA 3.31Å; A134-G138 WeakPolarHBondContact O-CA 3.04Å; A134-G138 PolarHBondContact O-N 3.45Å
135L89.9Confident81.3Confident113 Ų11382 Ų8259%0.59245%0.45SS*.Hα-helixtrans-70.1-29.2178.2-151.272.6000112.4I131 A132 L133I131-L135 PolarHBondContact O-N 3.41Å; A132-L135 PolarHBondContact O-N 3.24Å; L133-L135 VanDerWaalsContact C-N 3.28Å; L133-L135 PolarHBondContact O-N 2.86Å
136M85.9Confident78.3Confident156 Ų15680 Ų8077%0.76845%0.452SS*.Hα-helixtrans-84.4-43.4177.2-66.6-178.265.600112.8A132 L133 A134A132-M136 WeakPolarHBondContact O-CG 3.48Å; A132-M136 PolarHBondContact O-N 3.49Å; L133-M136 PolarHBondContact O-N 3.34Å; L133-M136 VanDerWaalsContact O-N 3.13Å; A134-M136 VanDerWaalsContact C-N 3.3Å; A134-M136 PolarHBondContact O-N 2.68Å
137E86.2Confident75.3Confident132 Ų13287.2 Ų87.262%0.61749%0.49SS*.Hα-helixtrans-116.1-19-166.3-62.2-175.6178.300114.9L133L133-E137 PolarHBondContact O-N 3.29Å
138G79Confident72.3Confident4 Ų491.9 Ų91.94%0.04151%0.511CS..SBendtrans-67.1158.2-177.200000112.2R113 A134R113-G138 VanDerWaalsContact CD-C 3.44Å; R113-G138 WeakPolarHBondContact CD-O 3.42Å; R113-G138 PolarHBondContact NH1-O 2.89Å; A134-G138 VanDerWaalsContact O-CA 3.31Å; A134-G138 WeakPolarHBondContact O-CA 3.04Å; A134-G138 PolarHBondContact O-N 3.45Å
139D83.5Confident69.8Low60 Ų6091.5 Ų91.532%0.32151%0.509SS..  trans-82.3149.5179.1-65.5-60.8000113.2R106 T110 V141R106-D139 IonicContact CZ-OD2 3.03Å; R106-D139 IonicContact NE-OD2 2.73Å; R106-D139 PolarHBondContact NE-OD2 2.98Å; R106-D139 IonicContact NH2-OD1 2.73Å; R106-D139 IonicContact NH2-OD2 2.73Å; R106-D139 PolarHBondContact NH2-OD2 3.26Å; T110-D139 HydrophobicContact CG2-CB 4.13Å; T110-D139 PolarHBondContact OG1-N 3.33Å; T110-D139 VanDerWaalsContact OG1-N 3.1Å; D139-V141 PolarHBondContact O-N 2.98Å
140E78.2Confident66.8Low135 Ų13592 Ų9263%0.63152%0.516SS*.  trans-77.3110.2167.3-66.3-159.315700111.3R113 S142R113-E140 IonicContact CZ-OE1 3.76Å; R113-E140 VanDerWaalsContact NH2-CD 3.27Å; R113-E140 IonicContact NH2-OE1 3.03Å; R113-E140 PolarHBondContact NH2-OE1 3Å; E140-S142 PolarHBondContact O-N 3.49Å; E140-S142 VanDerWaalsContact O-N 3.13Å
141V78.5Confident64.3Low15 Ų1597.5 Ų97.59%0.09154%0.541CS..  trans-74.5103.2167.9-178.40000109L77 R84 T110 C114 D139L77-V141 HydrophobicContact CB-CG2 4.06Å; L77-V141 VanDerWaalsContact O-CG1 3.25Å; L77-V141 WeakPolarHBondContact O-CG1 3.43Å; R84-V141 PolarHBondContact NH2-O 2.91Å; T110-V141 HydrophobicContact CG2-CG2 3.41Å; T110-V141 VanDerWaalsContact CG2-CG2 3.41Å; C114-V141 WeakPolarHBondContact SG-CB 3.1Å; C114-V141 WeakPolarHBondContact SG-CG2 3.22Å; D139-V141 PolarHBondContact O-N 2.98Å
142S63.5Low61.2Low89 Ų89103.3 Ų103.362%0.62257%0.572SS**PPolyproline II helixtrans-87.9147.3167.5-72.10000110.8E140E140-S142 PolarHBondContact O-N 3.49Å; E140-S142 VanDerWaalsContact O-N 3.13Å
143T48.5Very low58.3Low88 Ų88106.4 Ų106.454%0.5459%0.588SS.*PPolyproline II helixtrans-58140.4170.647.20000110C81 T145C81-T143 HydrophobicContact CB-CG2 3.8Å; T143-T145 PolarHBondContact O-N 2.61Å; T143-T145 VanDerWaalsContact O-N 3.16Å
144P42.7Very low55.7Low95 Ų95109.9 Ų109.962%0.61761%0.607SS**PPolyproline II helixtrans-67.7116.3169.82.910.7000108.5G146P144-G146 PolarHBondContact O-N 2.83Å
145T35.9Very low52.8Low136 Ų136117.5 Ų117.583%0.83465%0.648SS**PPolyproline II helixtrans-61.3121.3165.4-14.30000107.6T143 N147T143-T145 PolarHBondContact O-N 2.61Å; T143-T145 VanDerWaalsContact O-N 3.16Å; T145-N147 PolarHBondContact O-N 2.73Å
146G33.4Very low50.1Low68 Ų68115.7 Ų115.770%0.70166%0.656SS**PPolyproline II helixtrans-57.7131.1-17800000112.6P144 I148P144-G146 PolarHBondContact O-N 2.83Å; G146-I148 PolarHBondContact O-N 3.49Å; G146-I148 VanDerWaalsContact O-N 3.1Å
147N32.9Very low47.5Very low165 Ų165115.7 Ų115.788%0.88266%0.658SS**  trans-61.5105.9167-85.87.7000110T145T145-N147 PolarHBondContact O-N 2.73Å
148I32.3Very low45.4Very low157 Ų157114.9 Ų114.981%0.80566%0.664SS**  trans-93.490.4151.1-58.1179.6000106.1G146 N150G146-I148 PolarHBondContact O-N 3.49Å; G146-I148 VanDerWaalsContact O-N 3.1Å; I148-N150 HydrophobicContact CG2-CB 4.37Å
149H39.2Very low43.5Very low155 Ų155121.8 Ų121.872%0.71870%0.7SS**  trans-100.384.2156.4-169.574.1000106.7
150N30.8Very low41.1Very low136 Ų136123.3 Ų123.373%0.72772%0.721SS**  trans-105.2115.7160.6-93.2-8.6000107.9I148 L152I148-N150 HydrophobicContact CG2-CB 4.37Å; N150-L152 PolarHBondContact O-N 3.19Å
151Q39.7Very low39.5Very low166 Ų166126.2 Ų126.278%0.77674%0.735SS**  trans-45.7129.3166.1-58.1174.39.100109.6
152L27.6Very low37.5Very low162 Ų162134.6 Ų134.685%0.84878%0.775SS**  trans-120.4128.9154.9-83.6113.3000108.4N150N150-L152 PolarHBondContact O-N 3.19Å
153P31.6Very low36.4Very low118 Ų118138.3 Ų138.377%0.76678%0.783SS**  trans-75.6151.1-177.231.3-32.9000111.3N155P153-N155 PolarHBondContact O-N 3Å
154N38.3Very low36.1Very low157 Ų157140.6 Ų140.684%0.8479%0.792SS**  trans-53119.3168.4-163.426.8000110.9
155N31.9Very low35.8Very low161 Ų161142.2 Ų142.286%0.86180%0.795SS**  trans-165.1119.1153.4-109.14.1000112P153P153-N155 PolarHBondContact O-N 3Å
156G31.6Very low36.1Very low74 Ų74140.4 Ų140.476%0.76379%0.786SS**  trans46.8113142.800000121.2
157L32.9Very low36.6Very low157 Ų157144.5 Ų144.582%0.82279%0.791SS**  trans-29.9156.3146.3-82.1133.1000114.8
158P40.7Very low37.3Very low114 Ų114143.5 Ų143.574%0.7479%0.785SS**  cis-144.2164.549.736.4-14.7000118.6
159D40.1Very low38.2Very low149 Ų149143.6 Ų143.680%0.79778%0.777SS**  trans6.2114.9156.6-60-42.2000119.1
160A33.7Very low39.2Very low92 Ų92139.6 Ų139.676%0.7676%0.761SS**  trans-170.3112.1136.900000110.2
161E43.3Very low40.6Very low196 Ų196138.9 Ų138.992%0.91675%0.754SS**  trans36.197.6143.2-58.5177.3172.900118
162M36.4Very low41.8Very low191 Ų191137.3 Ų137.394%0.94175%0.747SS**  trans-143.294.3147.4-135.5178.46800110.8
163E40.2Very low43.7Very low167 Ų167133.2 Ų133.278%0.7872%0.723SS**  trans-54.2143.3167.3-121.2-174.5157.200112.4
164N41.9Very low45.5Very low136 Ų136130.2 Ų130.273%0.72770%0.703SS**  trans73.586.7152.3-56.8-53.3000119.6
165D37.8Very low47.2Very low129 Ų129124.2 Ų124.269%0.6967%0.671SS**  trans-106.4113.8150.4-166.8-0.1000109.1L167D165-L167 PolarHBondContact O-N 3.4Å
166P42.9Very low49.2Very low98 Ų98123.3 Ų123.364%0.63666%0.659SS**THydrogen-bonded Turntrans-718-165.3-17.931000117
167L43.8Very low51.1Low154 Ų154123.6 Ų123.681%0.80664%0.643SS**THydrogen-bonded Turntrans-125.416.1-168.6-67179.4000115.1D165D165-L167 PolarHBondContact O-N 3.4Å
168N46.2Very low53Low145 Ų145120.2 Ų120.278%0.77562%0.619SS**  trans-120.865.9179.2-162.837000112.2
169Y51.3Low54.7Low158 Ų158120.5 Ų120.562%0.6261%0.611SS**  trans-85.8129.8170.4-71.8-79.5000110.4E173Y169-E173 WeakPolarHBondContact CA-OE2 3.34Å; Y169-E173 HydrophobicContact CD1-CB 4.1Å; Y169-E173 WeakPolarHBondContact CD1-OE2 3.29Å
170N60Low56.2Low71 Ų71121.4 Ų121.438%0.3861%0.61SS.*  trans-79.7167.7176.764.744.7000111.4E172 E173 T174N170-E172 PolarHBondContact O-N 2.83Å; N170-E172 WeakPolarHBondContact OD1-CB 3.31Å; N170-E172 PolarHBondContact OD1-N 3.13Å; N170-E172 VanDerWaalsContact OD1-N 3.17Å; N170-E172 PolarHBondContact OD1-OE2 2.81Å; N170-E173 PolarHBondContact N-OE2 2.78Å; N170-E173 PolarHBondContact ND2-OE2 2.91Å; N170-E173 PolarHBondContact O-N 3.43Å; N170-E173 WeakPolarHBondContact OD1-CB 3.45Å; N170-E173 VanDerWaalsContact OD1-CG 3.31Å; N170-E173 WeakPolarHBondContact OD1-CG 3.41Å; N170-E173 PolarHBondContact OD1-N 3.26Å; N170-T174 PolarHBondContact O-N 2.97Å; N170-T174 VanDerWaalsContact O-N 3.12Å; N170-T174 PolarHBondContact O-OG1 3.43Å; N170-T174 VanDerWaalsContact O-OG1 3.05Å
171M59.9Low57.8Low121 Ų121123.4 Ų123.460%0.59661%0.607SS**Hα-helixtrans-63.1-31.8-178.3-174.768.67500111.6T174 N175M171-T174 PolarHBondContact O-N 3.24Å; M171-N175 PolarHBondContact O-N 2.95Å; M171-N175 VanDerWaalsContact O-N 3.1Å
172E65.8Low58.7Low134 Ų134117.5 Ų117.563%0.62660%0.599SS**Hα-helixtrans-67.4-40.4176.9-66.781.6-169.900112.6N170 N175 K176N170-E172 PolarHBondContact O-N 2.83Å; N170-E172 WeakPolarHBondContact OD1-CB 3.31Å; N170-E172 PolarHBondContact OD1-N 3.13Å; N170-E172 VanDerWaalsContact OD1-N 3.17Å; N170-E172 PolarHBondContact OD1-OE2 2.81Å; E172-N175 PolarHBondContact O-N 3.24Å; E172-K176 PolarHBondContact O-N 3.24Å
173E68.1Low60.2Low75 Ų75112.5 Ų112.535%0.3557%0.574SS.*Hα-helixtrans-67.4-38.4175.8-75.4162.8169.100111.4Y169 N170 N175 K176 I177Y169-E173 WeakPolarHBondContact CA-OE2 3.34Å; Y169-E173 HydrophobicContact CD1-CB 4.1Å; Y169-E173 WeakPolarHBondContact CD1-OE2 3.29Å; N170-E173 PolarHBondContact N-OE2 2.78Å; N170-E173 PolarHBondContact ND2-OE2 2.91Å; N170-E173 PolarHBondContact O-N 3.43Å; N170-E173 WeakPolarHBondContact OD1-CB 3.45Å; N170-E173 VanDerWaalsContact OD1-CG 3.31Å; N170-E173 WeakPolarHBondContact OD1-CG 3.41Å; N170-E173 PolarHBondContact OD1-N 3.26Å; E173-N175 VanDerWaalsContact C-N 3.34Å; E173-N175 PolarHBondContact O-N 3.48Å; E173-K176 PolarHBondContact O-N 3.05Å; E173-I177 VanDerWaalsContact O-CG1 3.32Å; E173-I177 WeakPolarHBondContact O-CG1 3.38Å; E173-I177 PolarHBondContact O-N 3.29Å
174T69.2Low61.6Low56 Ų56113.3 Ų113.334%0.34458%0.575SS.*Hα-helixtrans-63.6-40.5176.2-55.10000111.6N170 M171 R178N170-T174 PolarHBondContact O-N 2.97Å; N170-T174 VanDerWaalsContact O-N 3.12Å; N170-T174 PolarHBondContact O-OG1 3.43Å; N170-T174 VanDerWaalsContact O-OG1 3.05Å; M171-T174 PolarHBondContact O-N 3.24Å; T174-R178 PolarHBondContact O-N 2.82Å
175N73.3Confident62.7Low30 Ų30109.8 Ų109.816%0.1656%0.56CS.*Hα-helixtrans-72.2-33.8176.6-82.2-20.8000112.6M171 E172 E173 R178 E179 P185 L186M171-N175 PolarHBondContact O-N 2.95Å; M171-N175 VanDerWaalsContact O-N 3.1Å; E172-N175 PolarHBondContact O-N 3.24Å; E173-N175 VanDerWaalsContact C-N 3.34Å; E173-N175 PolarHBondContact O-N 3.48Å; N175-R178 WeakPolarHBondContact O-CB 3.5Å; N175-R178 PolarHBondContact O-N 3.17Å; N175-E179 PolarHBondContact O-N 3.33Å; N175-P185 HydrophobicContact CB-CB 4.26Å; N175-L186 PolarHBondContact ND2-O 3.14Å; N175-L186 VanDerWaalsContact ND2-O 3.1Å; N175-L186 PolarHBondContact OD1-N 3.4Å
176K73.8Confident63.9Low142 Ų142107 Ų10762%0.61755%0.545SS*.Hα-helixtrans-61-44.8171.5-84.6-174.5172.2-168.50112.6E172 E173 R178 E179 E180E172-K176 PolarHBondContact O-N 3.24Å; E173-K176 PolarHBondContact O-N 3.05Å; K176-R178 VanDerWaalsContact C-N 3.27Å; K176-R178 PolarHBondContact O-N 3.48Å; K176-E179 PolarHBondContact O-N 3.12Å; K176-E180 PolarHBondContact O-N 3.1Å
177I71Confident64.5Low81 Ų81106.6 Ų106.642%0.41554%0.544SS..Hα-helixtrans-63.8-36177.9-64.5163.2000110.8E173 L181E173-I177 VanDerWaalsContact O-CG1 3.32Å; E173-I177 WeakPolarHBondContact O-CG1 3.38Å; E173-I177 PolarHBondContact O-N 3.29Å; I177-L181 HydrophobicContact CG2-CD1 3.98Å; I177-L181 WeakPolarHBondContact O-CG 3.5Å; I177-L181 PolarHBondContact O-N 2.83Å; I177-L181 VanDerWaalsContact O-N 3.15Å
178R74.5Confident64.9Low85 Ų85110.2 Ų110.232%0.32155%0.547SS..Hα-helixtrans-64.2-42.6174.2-89.3-175.2175.2-152.1-0112.9T174 N175 K176 L181 G182 M183 K184 L186T174-R178 PolarHBondContact O-N 2.82Å; N175-R178 WeakPolarHBondContact O-CB 3.5Å; N175-R178 PolarHBondContact O-N 3.17Å; K176-R178 VanDerWaalsContact C-N 3.27Å; K176-R178 PolarHBondContact O-N 3.48Å; R178-L181 CarbonylContact O-C 3.23Å; R178-L181 PolarHBondContact O-N 3Å; R178-G182 PolarHBondContact O-N 3.42Å; R178-M183 CarbonylContact C-O 3.28Å; R178-M183 HydrophobicContact CB-CB 4.28Å; R178-M183 HydrophobicContact CG-CB 4.29Å; R178-M183 WeakPolarHBondContact O-CA 2.97Å; R178-M183 PolarHBondContact O-N 2.85Å; R178-K184 PolarHBondContact NH1-O 3.34Å; R178-L186 VanDerWaalsContact CZ-CD1 3.41Å
179E76.1Confident65Low121 Ų121109.8 Ų109.857%0.56554%0.544SS*.Hα-helixtrans-65.9-40.3178-75.8-177.916800112N175 K176 L181 G182N175-E179 PolarHBondContact O-N 3.33Å; K176-E179 PolarHBondContact O-N 3.12Å; E179-L181 PolarHBondContact O-N 2.85Å; E179-G182 PolarHBondContact O-N 3.36Å
180E71.3Confident64.6Low168 Ų168111.3 Ų111.379%0.78555%0.554SS**Hα-helixtrans-64-28.7175.2-75.1-17817300113K176 G182K176-E180 PolarHBondContact O-N 3.1Å; E180-G182 VanDerWaalsContact C-N 3.33Å
181L66.3Low63.8Low134 Ų134116.6 Ų116.670%0.70257%0.574SS**THydrogen-bonded Turntrans-90.27.3174.6-65172.1000113.3I177 R178 E179 M183I177-L181 HydrophobicContact CG2-CD1 3.98Å; I177-L181 WeakPolarHBondContact O-CG 3.5Å; I177-L181 PolarHBondContact O-N 2.83Å; I177-L181 VanDerWaalsContact O-N 3.15Å; R178-L181 CarbonylContact O-C 3.23Å; R178-L181 PolarHBondContact O-N 3Å; E179-L181 PolarHBondContact O-N 2.85Å; L181-M183 VanDerWaalsContact C-N 3.32Å; L181-M183 PolarHBondContact O-N 3.47Å
182G62.8Low62.6Low72 Ų72114.9 Ų114.974%0.74257%0.574SS**THydrogen-bonded Turntrans7416.5177.200000115.1R178 E179 E180R178-G182 PolarHBondContact O-N 3.42Å; E179-G182 PolarHBondContact O-N 3.36Å; E180-G182 VanDerWaalsContact C-N 3.33Å
183M67.2Low61.1Low86 Ų86113.8 Ų113.842%0.42458%0.581SS.*PPolyproline II helixtrans-100.5154.6-178.3-59-141.2101.200112.7R178 L181 E225R178-M183 CarbonylContact C-O 3.28Å; R178-M183 HydrophobicContact CB-CB 4.28Å; R178-M183 HydrophobicContact CG-CB 4.29Å; R178-M183 WeakPolarHBondContact O-CA 2.97Å; R178-M183 PolarHBondContact O-N 2.85Å; L181-M183 VanDerWaalsContact C-N 3.32Å; L181-M183 PolarHBondContact O-N 3.47Å; M183-E225 HydrophobicContact CE-CG 4.34Å; M183-E225 VanDerWaalsContact CE-OE1 3.32Å; M183-E225 WeakPolarHBondContact CE-OE1 3.45Å
184K70.9Confident59.2Low184 Ų184118.3 Ų118.380%0.861%0.607SS**PPolyproline II helixtrans-71.2136.9-178.9-70.2180-178.3172.20112.2R178R178-K184 PolarHBondContact NH1-O 3.34Å
185P64.1Low57.4Low61 Ų61121.4 Ų121.440%0.39663%0.631SS.*PPolyproline II helixtrans-67.8147.417925.8-32.6000112.1N175N175-P185 HydrophobicContact CB-CB 4.26Å
186L62.9Low55.5Low72 Ų72125.1 Ų125.138%0.37766%0.659SS.*PPolyproline II helixtrans-77.4122.5176.7-74.6150.5000109.8N175 R178N175-L186 PolarHBondContact ND2-O 3.14Å; N175-L186 VanDerWaalsContact ND2-O 3.1Å; N175-L186 PolarHBondContact OD1-N 3.4Å; R178-L186 VanDerWaalsContact CZ-CD1 3.41Å
187S56.8Low53.6Low89 Ų89124 Ų12462%0.62267%0.667SS**PPolyproline II helixtrans-92.9140.5170.6-60.60000110.6D189S187-D189 PolarHBondContact O-N 3.1Å; S187-D189 VanDerWaalsContact O-N 3.14Å
188R51.4Low51.9Low230 Ų230124.8 Ų124.887%0.86868%0.679SS**G310 helixtrans-63.5-18.9-175.7-163.8173.1-171.3171.13113.8K190R188-K190 PolarHBondContact O-N 3.47Å
189D47.6Very low49.8Very low135 Ų135127.5 Ų127.572%0.72271%0.705SS**G310 helixtrans-83.3-3.3-169.1-58.8-53.5000115.5S187 F191S187-D189 PolarHBondContact O-N 3.1Å; S187-D189 VanDerWaalsContact O-N 3.14Å; D189-F191 VanDerWaalsContact C-N 3.27Å; D189-F191 PolarHBondContact O-N 2.86Å
190K44.3Very low48.2Very low190 Ų190130.5 Ų130.583%0.82672%0.722SS**G310 helixtrans-79.1-8174.3-113.5-177.8-178.7-173.80114.1R188R188-K190 PolarHBondContact O-N 3.47Å
191F42.4Very low46.2Very low182 Ų182131.5 Ų131.580%0.79873%0.726SS**G310 helixtrans-127.749.1-178.2-61.7-78.6000111.7D189D189-F191 VanDerWaalsContact C-N 3.27Å; D189-F191 PolarHBondContact O-N 2.86Å
192S34.8Very low44.7Very low85 Ų85134.8 Ų134.859%0.59474%0.735SS**  trans-115.368.5174.6-60.70000110.6
193S33.8Very low43.4Very low111 Ų111136.7 Ų136.778%0.77673%0.734SS**  trans-168.4100.9161.1-67.80000105.3
194L29.7Very low42.2Very low171 Ų171139 Ų13990%0.89575%0.753SS**  -161.4130.279.8-80153.6000109.3
195S31.1Very low41.1Very low120 Ų120135.8 Ų135.884%0.83974%0.742SS**  trans-60.9141.2163.76.80000110.9
196S33.6Very low40.3Very low109 Ų109141.7 Ų141.776%0.76276%0.762SS**  trans-55.6169.8-170.9-39.90000116.7
197P34Very low39.7Very low119 Ų119147.1 Ų147.177%0.77378%0.783SS**  -138.6135.889.630.4-12.5000115.9
198S34.3Very low39.4Very low97 Ų97146.5 Ų146.568%0.67878%0.775SS**  trans29.5110.8140.856.80000119.2
199T30.5Very low39.8Very low141 Ų141140.7 Ų140.787%0.86576%0.758SS**  -173.4148.994.627.90000109.1E201T199-E201 PolarHBondContact O-N 3.41Å
200M43.1Very low40.8Very low185 Ų185139.4 Ų139.491%0.91175%0.749SS**  trans-55.5120.5-169.6-58.6-166.381.800113.8
201E28.4Very low41.8Very low189 Ų189136 Ų13688%0.88374%0.74SS**  trans-136.3124.1154-70.9-161.6152.200110T199T199-E201 PolarHBondContact O-N 3.41Å
202K34.1Very low42.9Very low202 Ų202131.4 Ų131.488%0.87872%0.724SS**  trans-75.5134.3173.3-88.5177.4172.6177.40108.9
203P35.7Very low44.6Very low113 Ų113129.4 Ų129.473%0.73471%0.712SS**  trans-89.5127.7-179.833.3-29.8000111.1
204T43.5Very low46.6Very low133 Ų133127.7 Ų127.782%0.81670%0.697SS**  trans-130.680.1160.451.80000109.8
205M47.3Very low48.7Very low117 Ų117124.1 Ų124.158%0.57668%0.678SS**  trans-144.353.5168.4-80.3-149.8-175.900111.3K207 H209M205-K207 VanDerWaalsContact C-N 3.26Å; M205-K207 PolarHBondContact O-N 3.19Å; M205-H209 WeakPolarHBondContact CB-NE2 3.46Å; M205-H209 PolarHBondContact O-CD2 3.23Å; M205-H209 VanDerWaalsContact O-CG 3.32Å; M205-H209 PolarHBondContact O-N 3.34Å
206K47.7Very low50.6Low185 Ų185123.4 Ų123.480%0.80466%0.664SS**THydrogen-bonded Turntrans-68.1-14.1-175.5-72.9-172.9177.1-174.40115.3I210K206-I210 WeakPolarHBondContact O-CD1 3.29Å; K206-I210 VanDerWaalsContact O-CG1 3.22Å; K206-I210 WeakPolarHBondContact O-CG1 3.11Å
207K50.3Low52.5Low187 Ų187123.5 Ų123.581%0.81366%0.656SS**THydrogen-bonded Turntrans-98.1-39.3-176.6-72.4-173.8178.2-178.50114.3M205 I210M205-K207 VanDerWaalsContact C-N 3.26Å; M205-K207 PolarHBondContact O-N 3.19Å; K207-I210 PolarHBondContact O-N 3.11Å
208T49.3Very low54.4Low76 Ų76121 Ų12147%0.46664%0.636SS.*Hα-helixtrans-68.2-41.817517.20000111.3I210 L211 D212T208-I210 VanDerWaalsContact C-N 3.25Å; T208-I210 PolarHBondContact O-N 3.47Å; T208-L211 PolarHBondContact O-N 3.2Å; T208-D212 PolarHBondContact O-N 3.19Å
209H59.8Low56.2Low108 Ų108126.3 Ų126.350%0.564%0.641SS.*Hα-helixtrans-64.3-26.2177.6-64.7-42.7000114M205 A213M205-H209 WeakPolarHBondContact CB-NE2 3.46Å; M205-H209 PolarHBondContact O-CD2 3.23Å; M205-H209 VanDerWaalsContact O-CG 3.32Å; M205-H209 PolarHBondContact O-N 3.34Å; H209-A213 WeakPolarHBondContact O-CA 3.29Å; H209-A213 WeakPolarHBondContact O-CB 3.45Å; H209-A213 PolarHBondContact O-N 3.13Å
210I68.3Low58.3Low107 Ų107126 Ų12655%0.54963%0.634SS.*Hα-helixtrans-72-45.6176.8-66.3168.4000109.8K206 K207 T208 A213 V214K206-I210 WeakPolarHBondContact O-CD1 3.29Å; K206-I210 VanDerWaalsContact O-CG1 3.22Å; K206-I210 WeakPolarHBondContact O-CG1 3.11Å; K207-I210 PolarHBondContact O-N 3.11Å; T208-I210 VanDerWaalsContact C-N 3.25Å; T208-I210 PolarHBondContact O-N 3.47Å; I210-A213 PolarHBondContact O-N 3.13Å; I210-V214 HydrophobicContact CG2-CG2 4.26Å; I210-V214 VanDerWaalsContact O-CB 3.29Å; I210-V214 WeakPolarHBondContact O-CB 3.24Å; I210-V214 WeakPolarHBondContact O-CG2 3.35Å; I210-V214 PolarHBondContact O-N 3.43Å
211L66.3Low60Low120 Ų120119.8 Ų119.863%0.62860%0.604SS**Hα-helixtrans-65.5-42.8177.6-118.9104000111.3T208 V214 L215T208-L211 PolarHBondContact O-N 3.2Å; L211-V214 PolarHBondContact O-N 3.23Å; L211-L215 WeakPolarHBondContact O-CB 3.32Å; L211-L215 VanDerWaalsContact O-CG 3.26Å; L211-L215 WeakPolarHBondContact O-CG 3.44Å; L211-L215 PolarHBondContact O-N 3.29Å
212D65.4Low62.2Low85 Ų85116.6 Ų116.646%0.45559%0.593SS.*Hα-helixtrans-66.3-40.5177-72.8-25.1000111.9T208 L215 L216T208-D212 PolarHBondContact O-N 3.19Å; D212-L215 PolarHBondContact O-N 3.04Å; D212-L216 WeakPolarHBondContact O-CB 3.42Å; D212-L216 VanDerWaalsContact O-CG 3.24Å; D212-L216 WeakPolarHBondContact O-CG 3.35Å; D212-L216 PolarHBondContact O-N 3.05Å
213A69.9Low64Low43 Ų43115.6 Ų115.636%0.35559%0.591SS.*Hα-helixtrans-66.3-39.6174.500000111.5H209 I210 L216 L217H209-A213 WeakPolarHBondContact O-CA 3.29Å; H209-A213 WeakPolarHBondContact O-CB 3.45Å; H209-A213 PolarHBondContact O-N 3.13Å; I210-A213 PolarHBondContact O-N 3.13Å; A213-L216 PolarHBondContact O-N 3.29Å; A213-L217 VanDerWaalsContact O-CB 3.29Å; A213-L217 WeakPolarHBondContact O-CB 3.14Å; A213-L217 WeakPolarHBondContact O-CD1 3.37Å; A213-L217 WeakPolarHBondContact O-CG 3.26Å; A213-L217 PolarHBondContact O-N 3.04Å
214V75.6Confident65.8Low74 Ų74118.2 Ų118.245%0.44859%0.594SS.*Hα-helixtrans-63.9-43.6174.4168.90000110.3I210 L211 L217 L218I210-V214 HydrophobicContact CG2-CG2 4.26Å; I210-V214 VanDerWaalsContact O-CB 3.29Å; I210-V214 WeakPolarHBondContact O-CB 3.24Å; I210-V214 WeakPolarHBondContact O-CG2 3.35Å; I210-V214 PolarHBondContact O-N 3.43Å; L211-V214 PolarHBondContact O-N 3.23Å; V214-L217 PolarHBondContact O-N 3.21Å; V214-L218 HydrophobicContact CG1-CD1 3.87Å; V214-L218 HydrophobicContact CG1-CG 4.34Å; V214-L218 WeakPolarHBondContact O-CB 3.43Å; V214-L218 WeakPolarHBondContact O-CG 3.33Å; V214-L218 PolarHBondContact O-N 3.39Å
215L73.7Confident67.3Low96 Ų96115.1 Ų115.150%0.50357%0.57SS.*Hα-helixtrans-66.6-36.6177.3-74.6169.3000112.9L211 D212 R219L211-L215 WeakPolarHBondContact O-CB 3.32Å; L211-L215 VanDerWaalsContact O-CG 3.26Å; L211-L215 WeakPolarHBondContact O-CG 3.44Å; L211-L215 PolarHBondContact O-N 3.29Å; D212-L215 PolarHBondContact O-N 3.04Å; L215-R219 WeakPolarHBondContact O-CG 3.31Å; L215-R219 PolarHBondContact O-N 3.39Å
216L72.4Confident68.9Low106 Ų106113.4 Ų113.456%0.55556%0.563SS**Hα-helixtrans-68.4-44.2173.9-75.3168.1000111.4D212 A213 L218 R219 D220D212-L216 WeakPolarHBondContact O-CB 3.42Å; D212-L216 VanDerWaalsContact O-CG 3.24Å; D212-L216 WeakPolarHBondContact O-CG 3.35Å; D212-L216 PolarHBondContact O-N 3.05Å; A213-L216 PolarHBondContact O-N 3.29Å; L216-L218 VanDerWaalsContact C-N 3.33Å; L216-L218 PolarHBondContact O-N 3.45Å; L216-R219 WeakPolarHBondContact O-CB 3.36Å; L216-R219 PolarHBondContact O-N 3.39Å; L216-R219 VanDerWaalsContact O-N 3.15Å; L216-D220 PolarHBondContact O-N 3.15Å
217L72.6Confident70.3Confident110 Ų110110.6 Ų110.658%0.57655%0.552SS**Hα-helixtrans-64.3-38.3176.7-72167.9000111.6A213 V214 R219 D220 L221A213-L217 VanDerWaalsContact O-CB 3.29Å; A213-L217 WeakPolarHBondContact O-CB 3.14Å; A213-L217 WeakPolarHBondContact O-CD1 3.37Å; A213-L217 WeakPolarHBondContact O-CG 3.26Å; A213-L217 PolarHBondContact O-N 3.04Å; V214-L217 PolarHBondContact O-N 3.21Å; L217-R219 VanDerWaalsContact C-N 3.26Å; L217-R219 PolarHBondContact O-N 3.48Å; L217-D220 PolarHBondContact O-N 3.46Å; L217-L221 WeakPolarHBondContact O-CG 3.19Å
218L73.6Confident71.7Confident68 Ų68106.5 Ų106.536%0.35654%0.543SS..Hα-helixtrans-66.6-25.1175.2-74.7170.9000113.2V214 L216 D220 L221 L226V214-L218 HydrophobicContact CG1-CD1 3.87Å; V214-L218 HydrophobicContact CG1-CG 4.34Å; V214-L218 WeakPolarHBondContact O-CB 3.43Å; V214-L218 WeakPolarHBondContact O-CG 3.33Å; V214-L218 PolarHBondContact O-N 3.39Å; L216-L218 VanDerWaalsContact C-N 3.33Å; L216-L218 PolarHBondContact O-N 3.45Å; L218-D220 VanDerWaalsContact C-N 3.33Å; L218-L221 HydrophobicContact CD2-CD1 4.11Å; L218-L226 HydrophobicContact CD2-CD1 3.74Å
219R72.9Confident73.4Confident207 Ų207105.7 Ų105.778%0.78154%0.538SS*.Hα-helixtrans-74.4-23.3176.2-84.1-179.9167.9-173.8-1.8113.5L215 L216 L217L215-R219 WeakPolarHBondContact O-CG 3.31Å; L215-R219 PolarHBondContact O-N 3.39Å; L216-R219 WeakPolarHBondContact O-CB 3.36Å; L216-R219 PolarHBondContact O-N 3.39Å; L216-R219 VanDerWaalsContact O-N 3.15Å; L217-R219 VanDerWaalsContact C-N 3.26Å; L217-R219 PolarHBondContact O-N 3.48Å
220D73.8Confident74.4Confident135 Ų135105.4 Ų105.472%0.72254%0.537SS*.THydrogen-bonded Turntrans-95.62.1-176.6-70.8-16000113L216 L217 L218L216-D220 PolarHBondContact O-N 3.15Å; L217-D220 PolarHBondContact O-N 3.46Å; L218-D220 VanDerWaalsContact C-N 3.33Å
221L79.3Confident75Confident54 Ų54103.2 Ų103.228%0.28353%0.528SS..  trans-94137.5179.7-65.6172.1000111.7L217 L218 E225 L226 V229L217-L221 WeakPolarHBondContact O-CG 3.19Å; L218-L221 HydrophobicContact CD2-CD1 4.11Å; L221-E225 HydrophobicContact CB-CB 4.26Å; L221-E225 HydrophobicContact CD2-CB 3.93Å; L221-E225 WeakPolarHBondContact CD2-OE2 3.39Å; L221-L226 HydrophobicContact CD1-CD1 4.45Å; L221-V229 HydrophobicContact CD1-CG2 4.06Å
222D75.8Confident75.6Confident122 Ų122100 Ų10065%0.65252%0.518SS*.  trans-81.3167.6173-65.8-33.1000111.6E224 E225 L226D222-E224 VanDerWaalsContact C-N 3.29Å; D222-E224 PolarHBondContact O-N 3.31Å; D222-E225 PolarHBondContact N-OE2 2.87Å; D222-E225 PolarHBondContact O-N 2.93Å; D222-L226 PolarHBondContact O-N 2.75Å
223E71.9Confident76.4Confident181 Ų18199 Ų9985%0.84652%0.516SS*.Hα-helixtrans-55.8-39.2-172.1-171175.5-179.100113.5H227E223-H227 PolarHBondContact O-N 3.44Å; E223-H227 VanDerWaalsContact O-N 3.16Å
224E72.2Confident76.8Confident169 Ų169101.7 Ų101.779%0.7952%0.521SS*.Hα-helixtrans-68.6-40.3177.6-64.7-172.2169.300112.1D222 H227 V228D222-E224 VanDerWaalsContact C-N 3.29Å; D222-E224 PolarHBondContact O-N 3.31Å; E224-H227 PolarHBondContact O-N 2.87Å; E224-V228 WeakPolarHBondContact O-CG2 3.5Å; E224-V228 PolarHBondContact O-N 3.04Å
225E76.3Confident76.8Confident68 Ų68102.3 Ų102.332%0.31852%0.522SS..Hα-helixtrans-72.2-37.3-179.4-58.5-177.1138.200111.2M183 L221 D222 H227 V228 V229M183-E225 HydrophobicContact CE-CG 4.34Å; M183-E225 VanDerWaalsContact CE-OE1 3.32Å; M183-E225 WeakPolarHBondContact CE-OE1 3.45Å; L221-E225 HydrophobicContact CB-CB 4.26Å; L221-E225 HydrophobicContact CD2-CB 3.93Å; L221-E225 WeakPolarHBondContact CD2-OE2 3.39Å; D222-E225 PolarHBondContact N-OE2 2.87Å; D222-E225 PolarHBondContact O-N 2.93Å; E225-H227 VanDerWaalsContact C-N 3.28Å; E225-H227 PolarHBondContact O-N 2.92Å; E225-V228 PolarHBondContact O-N 2.9Å; E225-V229 WeakPolarHBondContact O-CG2 3.36Å; E225-V229 PolarHBondContact O-N 3.12Å; E225-V229 VanDerWaalsContact O-N 3.07Å
226L80.3Confident76.9Confident81 Ų81105.9 Ų105.942%0.42453%0.529SS..Hα-helixtrans-64-35.6174.4-168.366.2000111.5L218 L221 D222 V229 H230L218-L226 HydrophobicContact CD2-CD1 3.74Å; L221-L226 HydrophobicContact CD1-CD1 4.45Å; D222-L226 PolarHBondContact O-N 2.75Å; L226-V229 PolarHBondContact O-N 3.42Å; L226-H230 WeakPolarHBondContact O-CB 3.5Å; L226-H230 PolarHBondContact O-N 3.45Å
227H76.2Confident77Confident125 Ų125106.6 Ų106.658%0.57953%0.533SS*.Hα-helixtrans-67.3-35.9176.2-161.359.3000112.7E223 E224 E225 H230 T231E223-H227 PolarHBondContact O-N 3.44Å; E223-H227 VanDerWaalsContact O-N 3.16Å; E224-H227 PolarHBondContact O-N 2.87Å; E225-H227 VanDerWaalsContact C-N 3.28Å; E225-H227 PolarHBondContact O-N 2.92Å; H227-H230 PolarHBondContact O-N 2.79Å; H227-T231 WeakPolarHBondContact O-CB 3.39Å; H227-T231 PolarHBondContact O-N 3.48Å; H227-T231 PolarHBondContact O-OG1 3.26Å
228V81.1Confident76.7Confident101 Ų101106.4 Ų106.461%0.61253%0.528SS*.Hα-helixtrans-65.7-45.7173.7174.70000110.8E224 E225 H230 T231 A232E224-V228 WeakPolarHBondContact O-CG2 3.5Å; E224-V228 PolarHBondContact O-N 3.04Å; E225-V228 PolarHBondContact O-N 2.9Å; V228-H230 VanDerWaalsContact C-N 3.33Å; V228-H230 PolarHBondContact O-N 3.08Å; V228-T231 PolarHBondContact O-N 3.02Å; V228-A232 WeakPolarHBondContact O-CB 3.47Å; V228-A232 PolarHBondContact O-N 3.31Å
229V83.3Confident76.2Confident60 Ų60108.5 Ų108.536%0.36454%0.54SS..Hα-helixtrans-61.9-41.8176.6175.20000111L221 E225 L226 A232 T233L221-V229 HydrophobicContact CD1-CG2 4.06Å; E225-V229 WeakPolarHBondContact O-CG2 3.36Å; E225-V229 PolarHBondContact O-N 3.12Å; E225-V229 VanDerWaalsContact O-N 3.07Å; L226-V229 PolarHBondContact O-N 3.42Å; V229-A232 PolarHBondContact O-N 2.92Å; V229-T233 HydrophobicContact CG1-CG2 4.39Å; V229-T233 WeakPolarHBondContact O-CB 3.32Å; V229-T233 VanDerWaalsContact O-CG2 3.31Å; V229-T233 WeakPolarHBondContact O-CG2 3.45Å; V229-T233 PolarHBondContact O-N 3.19Å; V229-T233 PolarHBondContact O-OG1 3.39Å
230H82.4Confident75.5Confident102 Ų102106 Ų10647%0.47253%0.532SS..Hα-helixtrans-62.4-45.3175.8-176.2-85.9000112.3L226 H227 V228 T233 Q234L226-H230 WeakPolarHBondContact O-CB 3.5Å; L226-H230 PolarHBondContact O-N 3.45Å; H227-H230 PolarHBondContact O-N 2.79Å; V228-H230 VanDerWaalsContact C-N 3.33Å; V228-H230 PolarHBondContact O-N 3.08Å; H230-T233 WeakPolarHBondContact CA-OG1 3.39Å; H230-T233 PolarHBondContact O-N 3.28Å; H230-T233 PolarHBondContact O-OG1 3.07Å; H230-Q234 PolarHBondContact CE1-OE1 2.94Å; H230-Q234 VanDerWaalsContact O-CB 3.28Å; H230-Q234 WeakPolarHBondContact O-CB 3.3Å; H230-Q234 PolarHBondContact O-N 2.92Å
231T80.9Confident74.6Confident60 Ų60104.6 Ų104.637%0.36853%0.528SS..Hα-helixtrans-65.9-42.5179.3-56.30000111.6H227 V228 Q234 N235H227-T231 WeakPolarHBondContact O-CB 3.39Å; H227-T231 PolarHBondContact O-N 3.48Å; H227-T231 PolarHBondContact O-OG1 3.26Å; V228-T231 PolarHBondContact O-N 3.02Å; T231-Q234 PolarHBondContact O-N 3.26Å; T231-N235 WeakPolarHBondContact O-CB 3.32Å; T231-N235 VanDerWaalsContact O-CG 3.26Å; T231-N235 PolarHBondContact O-N 3.33Å; T231-N235 PolarHBondContact O-ND2 3.45Å
232A77.8Confident73.3Confident52 Ų52108.5 Ų108.543%0.4355%0.548SS..Hα-helixtrans-65.8-40.7177.300000112.4V228 V229 R236V228-A232 WeakPolarHBondContact O-CB 3.47Å; V228-A232 PolarHBondContact O-N 3.31Å; V229-A232 PolarHBondContact O-N 2.92Å; A232-R236 WeakPolarHBondContact O-CG 3.28Å; A232-R236 PolarHBondContact O-N 2.82Å
233T82.4Confident72.1Confident66 Ų66109.4 Ų109.441%0.40555%0.553SS.*Hα-helixtrans-67.8-41.717647.80000111.7V229 H230 R236 L237V229-T233 HydrophobicContact CG1-CG2 4.39Å; V229-T233 WeakPolarHBondContact O-CB 3.32Å; V229-T233 VanDerWaalsContact O-CG2 3.31Å; V229-T233 WeakPolarHBondContact O-CG2 3.45Å; V229-T233 PolarHBondContact O-N 3.19Å; V229-T233 PolarHBondContact O-OG1 3.39Å; H230-T233 WeakPolarHBondContact CA-OG1 3.39Å; H230-T233 PolarHBondContact O-N 3.28Å; H230-T233 PolarHBondContact O-OG1 3.07Å; T233-R236 PolarHBondContact O-N 3.15Å; T233-L237 WeakPolarHBondContact O-CB 3.49Å; T233-L237 WeakPolarHBondContact O-CD1 3.42Å; T233-L237 PolarHBondContact O-N 3.29Å
234Q78.3Confident70.8Confident98 Ų98105.9 Ų105.946%0.45855%0.549SS..Hα-helixtrans-64-41176.5-172.7161-50.800112.5H230 T231 L237 Q238H230-Q234 PolarHBondContact CE1-OE1 2.94Å; H230-Q234 VanDerWaalsContact O-CB 3.28Å; H230-Q234 WeakPolarHBondContact O-CB 3.3Å; H230-Q234 PolarHBondContact O-N 2.92Å; T231-Q234 PolarHBondContact O-N 3.26Å; Q234-L237 PolarHBondContact O-N 2.91Å; Q234-Q238 PolarHBondContact O-N 3.43Å
235N75.5Confident69.7Low87 Ų87100.7 Ų100.747%0.46554%0.541SS..Hα-helixtrans-64.8-39.3174.3-73.6-18000112T231 Q238 N239T231-N235 WeakPolarHBondContact O-CB 3.32Å; T231-N235 VanDerWaalsContact O-CG 3.26Å; T231-N235 PolarHBondContact O-N 3.33Å; T231-N235 PolarHBondContact O-ND2 3.45Å; N235-Q238 PolarHBondContact O-N 3.29Å; N235-N239 PolarHBondContact O-N 3.47Å; N235-N239 VanDerWaalsContact O-N 3.12Å
236R76.9Confident68Low172 Ų172105.2 Ų105.265%0.64957%0.567SS**Hα-helixtrans-65.9-40.2174.1-76.1-174.968.3-179.51.2112.1A232 T233 N239 Y240A232-R236 WeakPolarHBondContact O-CG 3.28Å; A232-R236 PolarHBondContact O-N 2.82Å; T233-R236 PolarHBondContact O-N 3.15Å; R236-N239 PolarHBondContact O-N 3.5Å; R236-Y240 WeakPolarHBondContact O-CD2 3.49Å; R236-Y240 PolarHBondContact O-N 3.18Å; R236-Y240 VanDerWaalsContact O-N 3.13Å
237L73.3Confident65.9Low121 Ų121104.6 Ų104.663%0.63458%0.581SS**Hα-helixtrans-63.7-40.6175.2-94.9140.7000112.1T233 Q234 N239 Y240 T241T233-L237 WeakPolarHBondContact O-CB 3.49Å; T233-L237 WeakPolarHBondContact O-CD1 3.42Å; T233-L237 PolarHBondContact O-N 3.29Å; Q234-L237 PolarHBondContact O-N 2.91Å; L237-N239 VanDerWaalsContact C-N 3.35Å; L237-N239 PolarHBondContact O-N 3.39Å; L237-Y240 PolarHBondContact O-N 3.44Å; L237-T241 PolarHBondContact O-N 3.38Å; L237-T241 VanDerWaalsContact O-N 3.11Å; L237-T241 PolarHBondContact O-OG1 3.24Å; L237-T241 VanDerWaalsContact O-OG1 3.08Å
238Q65.7Low64.3Low105 Ų105107.6 Ų107.649%0.49160%0.595SS.*Hα-helixtrans-61.2-41.4174.2-80.4-176.5-5.100112.5Q234 N235 Y240 T241 L242Q234-Q238 PolarHBondContact O-N 3.43Å; N235-Q238 PolarHBondContact O-N 3.29Å; Q238-Y240 VanDerWaalsContact C-N 3.31Å; Q238-Y240 PolarHBondContact O-N 3.04Å; Q238-T241 VanDerWaalsContact CA-OG1 3.3Å; Q238-T241 WeakPolarHBondContact CA-OG1 3.44Å; Q238-T241 PolarHBondContact O-N 3.16Å; Q238-T241 PolarHBondContact O-OG1 3.35Å; Q238-L242 PolarHBondContact O-N 2.84Å
239N63.6Low62Low112 Ų112114.5 Ų114.560%0.59961%0.61SS**Hα-helixtrans-65.2-32.3175.5-74.1-7.8000112.9N235 R236 L237 D243N235-N239 PolarHBondContact O-N 3.47Å; N235-N239 VanDerWaalsContact O-N 3.12Å; R236-N239 PolarHBondContact O-N 3.5Å; L237-N239 VanDerWaalsContact C-N 3.35Å; L237-N239 PolarHBondContact O-N 3.39Å; N239-D243 PolarHBondContact O-N 2.96Å
240Y58.5Low59.7Low156 Ų156117 Ų11761%0.61263%0.63SS**Hα-helixtrans-70.3-34.2173.3-92.3-76.5000113.2R236 L237 Q238 L242 D243 S244R236-Y240 WeakPolarHBondContact O-CD2 3.49Å; R236-Y240 PolarHBondContact O-N 3.18Å; R236-Y240 VanDerWaalsContact O-N 3.13Å; L237-Y240 PolarHBondContact O-N 3.44Å; Q238-Y240 VanDerWaalsContact C-N 3.31Å; Q238-Y240 PolarHBondContact O-N 3.04Å; Y240-L242 VanDerWaalsContact C-N 3.35Å; Y240-D243 PolarHBondContact O-N 3.19Å; Y240-S244 PolarHBondContact O-OG 2.92Å; Y240-S244 VanDerWaalsContact O-OG 3.13Å
241T54.5Low57.4Low104 Ų104117 Ų11764%0.63864%0.642SS**Hα-helixtrans-71.5-26.4175.228.50000113.8L237 Q238L237-T241 PolarHBondContact O-N 3.38Å; L237-T241 VanDerWaalsContact O-N 3.11Å; L237-T241 PolarHBondContact O-OG1 3.24Å; L237-T241 VanDerWaalsContact O-OG1 3.08Å; Q238-T241 VanDerWaalsContact CA-OG1 3.3Å; Q238-T241 WeakPolarHBondContact CA-OG1 3.44Å; Q238-T241 PolarHBondContact O-N 3.16Å; Q238-T241 PolarHBondContact O-OG1 3.35Å
242L52.8Low55.2Low136 Ų136118.4 Ų118.471%0.71266%0.659SS**Hα-helixtrans-76.7-24.6175.6-72.9164.7000112.8Q238 Y240 S244Q238-L242 PolarHBondContact O-N 2.84Å; Y240-L242 VanDerWaalsContact C-N 3.35Å; L242-S244 VanDerWaalsContact C-N 3.35Å
243D49.6Very low53.2Low141 Ų141125 Ų12575%0.75468%0.681SS**THydrogen-bonded Turntrans-86.3-5.5179.7-156.234.1000113.3N239 Y240N239-D243 PolarHBondContact O-N 2.96Å; Y240-D243 PolarHBondContact O-N 3.19Å
244S45.7Very low51Low108 Ų108131 Ų13176%0.75570%0.701SS**THydrogen-bonded Turntrans-95.99.9-178.8-57.60000114.2Y240 L242Y240-S244 PolarHBondContact O-OG 2.92Å; Y240-S244 VanDerWaalsContact O-OG 3.13Å; L242-S244 VanDerWaalsContact C-N 3.35Å
245G49.1Very low49.2Very low60 Ų60133.7 Ų133.762%0.61973%0.725SS**SBendtrans-160.774.4-178.300000114.8
246D41.1Very low47.3Very low162 Ų162133.4 Ų133.487%0.86673%0.734SS**  trans-160.4114.9130.7-138.5-14.8000112.6
247G35.8Very low45.4Very low69 Ų69133 Ų13371%0.71174%0.74SS**  trans-142.181.2177.800000109.2
248Q41Very low43.6Very low188 Ų188133.4 Ų133.488%0.87974%0.741SS**  trans77104.4165.7-66.8169.8-37.900118.9
249R33Very low42.3Very low246 Ų246136.3 Ų136.393%0.92876%0.755SS**  -151.1103.3117.3-108.9175.5-173.1-172.62.2112.2
250S36.3Very low41.2Very low112 Ų112143.4 Ų143.478%0.78378%0.784SS**  trans-68.8131.3156.51640000109.4
251S32.8Very low40.3Very low103 Ų103142.8 Ų142.872%0.7279%0.793SS**  156.5126.9110.666.20000112.9
252A34.8Very low39.6Very low88 Ų88144.8 Ų144.873%0.72780%0.801SS**  trans63114.4139.400000120.8
253Q35.8Very low38.8Very low190 Ų190145.3 Ų145.389%0.88881%0.806SS**  -170.5102.9123.7-101.1152.5-13.400108.9
254K37.3Very low38.2Very low192 Ų192145.6 Ų145.684%0.83581%0.809SS**  92.889.188.5-150.8-179.9-166.6-172.20110.7
255T39.3Very low37.7Very low155 Ų155147.9 Ų147.995%0.95181%0.812SS**  trans-76.2114.2165.4-12.70000108.9
256A36.8Very low37Very low81 Ų81153.8 Ų153.867%0.66983%0.825SS**  trans-177.3135.7163.700000104.6
257E35.9Very low36.7Very low165 Ų165153.2 Ų153.277%0.77182%0.822SS**  cis-176.6159.6-2-135.3-178.4169.700103.7
258I36.3Very low36.7Very low128 Ų128159.7 Ų159.766%0.65683%0.831SS**  trans80114.5148.3-58.7158000120.1
259Q38.2Very low36.4Very low167 Ų167157.3 Ų157.378%0.7883%0.827SS**  trans28.3126.8137.1-67.2163.5-36.600120.4
260H40.2Very low36.7Very low261 Ų261149.3 Ų149.3100%1.20882%0.817SS**  -159.10105.3-112.4-69.1000111.9

Retrieved 260 of 260 residues in 425.5 ms (Link to these results)

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