A0A3Q0KTL2_SCHMA Loading...

F-box domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KTL2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 493 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
1M40.4Very low65.7Low238 Ų238120.7 Ų120.7100%1.17261%0.612SS**  01100-75.8173.7168.800107.8Q3M1-Q3 PolarHBondContact O-N 3.43Å
2S53.9Low67.8Low111 Ų111117.8 Ų117.878%0.77661%0.607SS**  trans-62.6108.4171.753.60000107.9Q4S2-Q4 PolarHBondContact O-N 2.94Å
3Q50.4Low69.6Low190 Ų190115.7 Ų115.789%0.88859%0.593SS**  trans-64.592.6169.6-70.4-178.6-2.600106.8M1M1-Q3 PolarHBondContact O-N 3.43Å
4Q58.2Low71.3Confident124 Ų124118.8 Ų118.858%0.57960%0.6SS**  trans-58.8128.6165.1-80.8-175.3-19.100106.5S2 F6S2-Q4 PolarHBondContact O-N 2.94Å; Q4-F6 PolarHBondContact O-N 3.45Å
5P59.2Low72.7Confident99 Ų99115.2 Ų115.264%0.64358%0.583SS**  trans-54.4136.2-177.220.4-30.8000109.1L7P5-L7 VanDerWaalsContact C-N 3.33Å; P5-L7 PolarHBondContact O-N 2.81Å
6F65Low74Confident155 Ų155108.1 Ų108.168%0.6855%0.547SS*.  trans-62.298.4174.5-178.1-94.8000108.2Q4 L11Q4-F6 PolarHBondContact O-N 3.45Å; F6-L11 HydrophobicContact CE1-CD2 4.36Å; F6-L11 HydrophobicContact CE1-CG 4.34Å; F6-L11 HydrophobicContact CZ-CD2 3.66Å; F6-L11 HydrophobicContact CZ-CG 3.98Å
7L74.7Confident75.2Confident90 Ų90103.5 Ų103.547%0.47152%0.524SS..  trans-79.7123.7174.6-70.2166.8000107.5P5 T9 R10P5-L7 VanDerWaalsContact C-N 3.33Å; P5-L7 PolarHBondContact O-N 2.81Å; L7-T9 WeakPolarHBondContact CB-OG1 3.34Å; L7-T9 PolarHBondContact O-N 3.31Å; L7-R10 HydrophobicContact CB-CG 4.4Å; L7-R10 WeakPolarHBondContact O-CB 3.36Å; L7-R10 PolarHBondContact O-N 3.08Å
8I76.3Confident76.2Confident68 Ų68103.5 Ų103.535%0.34952%0.521SS..G310 helixtrans-47.7-28.8172.3-171.5167.6000112.4R10 L11 M16 W38I8-R10 PolarHBondContact O-N 2.91Å; I8-R10 VanDerWaalsContact O-N 3.11Å; I8-L11 HydrophobicContact CG1-CD1 4.04Å; I8-L11 WeakPolarHBondContact O-CB 3.44Å; I8-L11 PolarHBondContact O-N 3.46Å; I8-L11 VanDerWaalsContact O-N 3.14Å; I8-M16 HydrophobicContact CD1-CE 4.42Å; I8-M16 HydrophobicContact CD1-SD 4.35Å; I8-M16 HydrophobicContact CG1-CE 4.09Å; I8-M16 HydrophobicContact CG1-SD 3.69Å; I8-W38 HydrophobicContact CD1-CH2 4.35Å; I8-W38 HydrophobicContact CD1-CZ2 4.03Å; I8-W38 HydrophobicContact CG1-CZ2 4.44Å; I8-W38 HydrophobicContact CG2-CZ2 3.72Å
9T73.9Confident77.2Confident67 Ų67101.7 Ų101.741%0.41151%0.513SS..G310 helixtrans-66.9-5.6176.260.70000115.1L7 M37L7-T9 WeakPolarHBondContact CB-OG1 3.34Å; L7-T9 PolarHBondContact O-N 3.31Å; T9-M37 HydrophobicContact CG2-CE 3.67Å
10R83.1Confident78.1Confident142 Ų14296.9 Ų96.954%0.53649%0.488SS..G310 helixtrans-91.6-8.8174.2-65.4-176.8176.5-173.1-3.2113.3L7 I8L7-R10 HydrophobicContact CB-CG 4.4Å; L7-R10 WeakPolarHBondContact O-CB 3.36Å; L7-R10 PolarHBondContact O-N 3.08Å; I8-R10 PolarHBondContact O-N 2.91Å; I8-R10 VanDerWaalsContact O-N 3.11Å
11L87.1Confident78.8Confident44 Ų4495.8 Ų95.823%0.2349%0.49CS..SBendtrans-66.5144.3175.2-71.5174.4000110.5F6 I8 I15 M16 I19F6-L11 HydrophobicContact CE1-CD2 4.36Å; F6-L11 HydrophobicContact CE1-CG 4.34Å; F6-L11 HydrophobicContact CZ-CD2 3.66Å; F6-L11 HydrophobicContact CZ-CG 3.98Å; I8-L11 HydrophobicContact CG1-CD1 4.04Å; I8-L11 WeakPolarHBondContact O-CB 3.44Å; I8-L11 PolarHBondContact O-N 3.46Å; I8-L11 VanDerWaalsContact O-N 3.14Å; L11-I15 HydrophobicContact CD1-CG2 4.32Å; L11-I15 HydrophobicContact CD2-CG2 4.32Å; L11-M16 HydrophobicContact CB-CG 3.93Å; L11-M16 HydrophobicContact CB-SD 3.97Å; L11-M16 HydrophobicContact CD1-SD 3.97Å; L11-I19 HydrophobicContact CD1-CD1 3.67Å
12P91.4Very high81.4Confident85 Ų8592.1 Ų92.155%0.55247%0.469SS*.  trans-55.9143.3171.2-2332.6000111.3K14 I15 M16P12-K14 PolarHBondContact O-N 3.26Å; P12-K14 VanDerWaalsContact O-N 3.12Å; P12-I15 HydrophobicContact CB-CG1 4.21Å; P12-I15 HydrophobicContact CG-CG1 4.22Å; P12-I15 WeakPolarHBondContact O-CA 3.34Å; P12-I15 WeakPolarHBondContact O-CB 3.33Å; P12-I15 PolarHBondContact O-N 3.08Å; P12-M16 PolarHBondContact O-N 3.45Å
13E91.7Very high83.2Confident91 Ų9189.4 Ų89.443%0.42545%0.446SS..Hα-helixtrans-55.5-36-176.9-66.5-170.4-171.200112.9I15 M16 L17 R40 L41E13-I15 VanDerWaalsContact C-N 3.3Å; E13-I15 PolarHBondContact O-N 3.22Å; E13-M16 WeakPolarHBondContact O-CB 3.49Å; E13-M16 PolarHBondContact O-N 3.46Å; E13-L17 WeakPolarHBondContact O-CG 3.36Å; E13-L17 PolarHBondContact O-N 3.01Å; E13-R40 VanDerWaalsContact CD-NH2 3.34Å; E13-R40 IonicContact OE1-CZ 3.52Å; E13-R40 IonicContact OE1-NH1 3.48Å; E13-R40 PolarHBondContact OE1-NH1 2.98Å; E13-R40 IonicContact OE1-NH2 2.67Å; E13-R40 PolarHBondContact OE1-NH2 3.09Å; E13-R40 IonicContact OE2-CZ 3.6Å; E13-R40 IonicContact OE2-NH1 2.79Å; E13-R40 PolarHBondContact OE2-NH1 3.07Å; E13-R40 IonicContact OE2-NH2 3.48Å; E13-R40 PolarHBondContact OE2-NH2 3.43Å; E13-L41 HydrophobicContact CB-CD2 4.01Å; E13-L41 HydrophobicContact CG-CD2 4.12Å
14K92.4Very high85.1Confident159 Ų15982.4 Ų82.469%0.69142%0.418SS*.Hα-helixtrans-60.2-38.5175.2-170.7178.6-178.6179.70112.8P12 Q18P12-K14 PolarHBondContact O-N 3.26Å; P12-K14 VanDerWaalsContact O-N 3.12Å; K14-Q18 WeakPolarHBondContact O-CG 3.35Å; K14-Q18 PolarHBondContact O-N 3.14Å
15I92.9Very high86.7Confident65 Ų6577.7 Ų77.733%0.33340%0.396SS..Hα-helixtrans-72.5-40176.5-56.7-57.2000109.9L11 P12 E13 L17 Q18 I19L11-I15 HydrophobicContact CD1-CG2 4.32Å; L11-I15 HydrophobicContact CD2-CG2 4.32Å; P12-I15 HydrophobicContact CB-CG1 4.21Å; P12-I15 HydrophobicContact CG-CG1 4.22Å; P12-I15 WeakPolarHBondContact O-CA 3.34Å; P12-I15 WeakPolarHBondContact O-CB 3.33Å; P12-I15 PolarHBondContact O-N 3.08Å; E13-I15 VanDerWaalsContact C-N 3.3Å; E13-I15 PolarHBondContact O-N 3.22Å; I15-L17 VanDerWaalsContact C-N 3.34Å; I15-L17 PolarHBondContact O-N 3.33Å; I15-Q18 WeakPolarHBondContact O-CB 3.19Å; I15-Q18 PolarHBondContact O-N 3.06Å; I15-I19 HydrophobicContact CG2-CD1 4.11Å; I15-I19 VanDerWaalsContact O-CG1 3.31Å; I15-I19 WeakPolarHBondContact O-CG1 3.48Å; I15-I19 PolarHBondContact O-N 3.03Å
16M93.2Very high88.2Confident2 Ų275.3 Ų75.31%0.0138%0.38CS..Hα-helixtrans-60.8-42.9174.3-70.7-67-66.800112.1I8 L11 P12 E13 I19 F20 W38 L41I8-M16 HydrophobicContact CD1-CE 4.42Å; I8-M16 HydrophobicContact CD1-SD 4.35Å; I8-M16 HydrophobicContact CG1-CE 4.09Å; I8-M16 HydrophobicContact CG1-SD 3.69Å; L11-M16 HydrophobicContact CB-CG 3.93Å; L11-M16 HydrophobicContact CB-SD 3.97Å; L11-M16 HydrophobicContact CD1-SD 3.97Å; P12-M16 PolarHBondContact O-N 3.45Å; E13-M16 WeakPolarHBondContact O-CB 3.49Å; E13-M16 PolarHBondContact O-N 3.46Å; M16-I19 PolarHBondContact O-N 3.43Å; M16-F20 HydrophobicContact CE-CE1 3.71Å; M16-F20 HydrophobicContact CE-CE2 4.49Å; M16-F20 HydrophobicContact CE-CZ 3.58Å; M16-F20 WeakPolarHBondContact O-CB 3.44Å; M16-F20 WeakPolarHBondContact O-CD1 3.37Å; M16-F20 VanDerWaalsContact O-CG 3.3Å; M16-F20 WeakPolarHBondContact O-CG 3.49Å; M16-F20 PolarHBondContact O-N 3.31Å; M16-W38 HydrophobicContact CE-CZ2 4.07Å; M16-L41 HydrophobicContact CB-CD1 3.76Å; M16-L41 HydrophobicContact CE-CD1 4.5Å; M16-L41 HydrophobicContact CG-CD1 4.26Å
17L93.9Very high89.6Confident30 Ų3072.1 Ų72.116%0.15737%0.368CS..Hα-helixtrans-63.8-40.3175.1-72.1174.2000111.8E13 I15 I19 F20 S21 L41 D44 L47E13-L17 WeakPolarHBondContact O-CG 3.36Å; E13-L17 PolarHBondContact O-N 3.01Å; I15-L17 VanDerWaalsContact C-N 3.34Å; I15-L17 PolarHBondContact O-N 3.33Å; L17-I19 VanDerWaalsContact C-N 3.35Å; L17-I19 PolarHBondContact O-N 3.15Å; L17-F20 CarbonylContact O-C 3.16Å; L17-F20 PolarHBondContact O-N 3.09Å; L17-S21 WeakPolarHBondContact O-CB 3.33Å; L17-S21 PolarHBondContact O-N 3.37Å; L17-L41 HydrophobicContact CD2-CB 4.29Å; L17-L41 HydrophobicContact CD2-CD2 4.12Å; L17-L41 WeakPolarHBondContact CD2-O 3.49Å; L17-L41 HydrophobicContact CG-CD2 4.17Å; L17-D44 HydrophobicContact CD2-CB 3.49Å; L17-D44 VanDerWaalsContact CD2-CB 3.49Å; L17-L47 HydrophobicContact CD2-CD1 4.03Å; L17-L47 HydrophobicContact CD2-CG 4.24Å
18Q94.4Very high90.5Very high103 Ų10368 Ų6848%0.48135%0.346SS..Hα-helixtrans-61-43.4172.9-76.6178.8-25.900111.8K14 I15 F20 S21 H22K14-Q18 WeakPolarHBondContact O-CG 3.35Å; K14-Q18 PolarHBondContact O-N 3.14Å; I15-Q18 WeakPolarHBondContact O-CB 3.19Å; I15-Q18 PolarHBondContact O-N 3.06Å; Q18-F20 VanDerWaalsContact C-N 3.35Å; Q18-F20 PolarHBondContact O-N 3.26Å; Q18-S21 PolarHBondContact O-N 3.43Å; Q18-S21 PolarHBondContact O-OG 2.96Å; Q18-H22 PolarHBondContact O-CD2 3.5Å
19I94.4Very high91.2Very high70 Ų7066.3 Ų66.336%0.35934%0.34SS..Hα-helixtrans-61.3-46.7174.9-66.5164.8000110L11 I15 M16 L17 S21 H22L11-I19 HydrophobicContact CD1-CD1 3.67Å; I15-I19 HydrophobicContact CG2-CD1 4.11Å; I15-I19 VanDerWaalsContact O-CG1 3.31Å; I15-I19 WeakPolarHBondContact O-CG1 3.48Å; I15-I19 PolarHBondContact O-N 3.03Å; M16-I19 PolarHBondContact O-N 3.43Å; L17-I19 VanDerWaalsContact C-N 3.35Å; L17-I19 PolarHBondContact O-N 3.15Å; I19-S21 VanDerWaalsContact C-N 3.27Å; I19-S21 PolarHBondContact O-N 3.28Å; I19-H22 PolarHBondContact O-N 2.8Å
20F95Very high92.2Very high4 Ų467.7 Ų67.72%0.01835%0.345CS..Hα-helixtrans-68.1-25.1-179.6-69.74000112.8M16 L17 Q18 H22 L23 L28 I31 W38 L41 A42 L47M16-F20 HydrophobicContact CE-CE1 3.71Å; M16-F20 HydrophobicContact CE-CE2 4.49Å; M16-F20 HydrophobicContact CE-CZ 3.58Å; M16-F20 WeakPolarHBondContact O-CB 3.44Å; M16-F20 WeakPolarHBondContact O-CD1 3.37Å; M16-F20 VanDerWaalsContact O-CG 3.3Å; M16-F20 WeakPolarHBondContact O-CG 3.49Å; M16-F20 PolarHBondContact O-N 3.31Å; L17-F20 CarbonylContact O-C 3.16Å; L17-F20 PolarHBondContact O-N 3.09Å; Q18-F20 VanDerWaalsContact C-N 3.35Å; Q18-F20 PolarHBondContact O-N 3.26Å; F20-H22 PolarHBondContact O-N 3.15Å; F20-H22 VanDerWaalsContact O-N 3.15Å; F20-L23 HydrophobicContact CD1-CD1 4.21Å; F20-L23 WeakPolarHBondContact O-CB 3.47Å; F20-L23 PolarHBondContact O-N 3.33Å; F20-L28 HydrophobicContact CB-CD2 3.97Å; F20-I31 HydrophobicContact CD1-CD1 3.7Å; F20-I31 HydrophobicContact CD2-CD1 3.59Å; F20-I31 HydrophobicContact CE1-CD1 3.59Å; F20-I31 HydrophobicContact CE2-CD1 3.45Å; F20-I31 VanDerWaalsContact CE2-CD1 3.45Å; F20-I31 HydrophobicContact CG-CD1 3.71Å; F20-I31 HydrophobicContact CZ-CD1 3.46Å; F20-I31 VanDerWaalsContact CZ-CD1 3.46Å; F20-W38 HydrophobicContact CE1-CZ3 4.44Å; F20-W38 AromaticContact CZ-CD2 3.84Å; F20-W38 HydrophobicContact CZ-CD2 3.84Å; F20-W38 AromaticContact CZ-CE3 3.96Å; F20-W38 HydrophobicContact CZ-CE3 3.96Å; F20-W38 HydrophobicContact CZ-CG 4.19Å; F20-W38 HydrophobicContact CZ-CZ3 4.33Å; F20-L41 HydrophobicContact CD2-CB 3.94Å; F20-L41 HydrophobicContact CE2-CB 3.65Å; F20-L41 HydrophobicContact CE2-CD1 4.47Å; F20-A42 HydrophobicContact CD2-CB 4.42Å; F20-A42 HydrophobicContact CE2-CB 4.43Å; F20-L47 HydrophobicContact CB-CD1 3.73Å; F20-L47 HydrophobicContact CB-CD2 4.34Å; F20-L47 HydrophobicContact CD2-CD1 4.36Å
21S94Very high92.7Very high74 Ų7462.3 Ų62.352%0.51733%0.326SS..THydrogen-bonded Turntrans-65.9-13.5176.177.80000114L17 Q18 I19L17-S21 WeakPolarHBondContact O-CB 3.33Å; L17-S21 PolarHBondContact O-N 3.37Å; Q18-S21 PolarHBondContact O-N 3.43Å; Q18-S21 PolarHBondContact O-OG 2.96Å; I19-S21 VanDerWaalsContact C-N 3.27Å; I19-S21 PolarHBondContact O-N 3.28Å
22H93.4Very high93Very high162 Ų16260.2 Ų60.275%0.7532%0.316SS*.THydrogen-bonded Turntrans-87.8-6.5172.8-65.4-71000113.6Q18 I19 F20Q18-H22 PolarHBondContact O-CD2 3.5Å; I19-H22 PolarHBondContact O-N 2.8Å; F20-H22 PolarHBondContact O-N 3.15Å; F20-H22 VanDerWaalsContact O-N 3.15Å
23L92.4Very high93.2Very high53 Ų5365.1 Ų65.128%0.27732%0.323SS..SBendtrans-89.3143.1179.3-59.5177.9000110.6F20 E27 L28 I31F20-L23 HydrophobicContact CD1-CD1 4.21Å; F20-L23 WeakPolarHBondContact O-CB 3.47Å; F20-L23 PolarHBondContact O-N 3.33Å; L23-E27 HydrophobicContact CB-CB 3.91Å; L23-E27 HydrophobicContact CD2-CB 4.27Å; L23-E27 HydrophobicContact CG-CB 4.49Å; L23-L28 HydrophobicContact CB-CD2 3.99Å; L23-L28 HydrophobicContact CB-CG 4.05Å; L23-L28 HydrophobicContact CD1-CD2 4.12Å; L23-I31 HydrophobicContact CD1-CD1 3.52Å; L23-I31 HydrophobicContact CD1-CG1 3.98Å; L23-I31 HydrophobicContact CD1-CG2 4.16Å
24S91.3Very high93.3Very high44 Ų4465.2 Ų65.231%0.30833%0.33SS..  trans-66.1161.1167.164.30000111.2E27 L28S24-E27 WeakPolarHBondContact CB-OE2 3.43Å; S24-E27 PolarHBondContact N-OE2 2.96Å; S24-E27 WeakPolarHBondContact O-CB 3.16Å; S24-E27 PolarHBondContact O-N 2.84Å; S24-E27 VanDerWaalsContact O-N 3.07Å; S24-E27 VanDerWaalsContact OG-CD 3.23Å; S24-E27 VanDerWaalsContact OG-CG 3.27Å; S24-E27 WeakPolarHBondContact OG-CG 3.37Å; S24-E27 PolarHBondContact OG-N 3.32Å; S24-E27 PolarHBondContact OG-OE2 2.67Å; S24-L28 WeakPolarHBondContact O-CG 3.42Å; S24-L28 PolarHBondContact O-N 3.48Å
25H91.2Very high93.2Very high25 Ų2560 Ų6012%0.11631%0.313CS..Hα-helixtrans-59.7-39.6177.8-57.3131.1000114.1E27 L28 C29 W48 S50 I60H25-E27 VanDerWaalsContact C-N 3.3Å; H25-E27 PolarHBondContact O-N 2.83Å; H25-L28 PolarHBondContact O-N 3.48Å; H25-C29 PolarHBondContact O-N 2.79Å; H25-C29 PolarHBondContact O-SG 3.34Å; H25-W48 HydrophobicContact CB-CH2 4.04Å; H25-W48 HydrophobicContact CB-CZ3 4.14Å; H25-W48 AromaticContact CD2-CE3 3.96Å; H25-S50 PolarHBondContact CE1-O 2.9Å; H25-S50 PolarHBondContact NE2-O 3.05Å; H25-S50 VanDerWaalsContact NE2-O 3.1Å; H25-I60 HydrophobicContact CB-CD1 3.44Å; H25-I60 VanDerWaalsContact CB-CD1 3.44Å; H25-I60 HydrophobicContact CB-CG1 3.37Å
26P91.5Very high93.2Very high48 Ų4865.9 Ų65.931%0.31234%0.336SS..Hα-helixtrans-59.2-39.8172.1-26.436.8000112.9C29 N30 G58P26-C29 WeakPolarHBondContact O-CB 3.39Å; P26-C29 PolarHBondContact O-N 3.35Å; P26-N30 PolarHBondContact O-N 3.04Å; P26-N30 PolarHBondContact O-ND2 3.44Å; P26-G58 WeakPolarHBondContact CD-O 3.44Å
27E93.6Very high93.2Very high89 Ų8968.5 Ų68.542%0.41635%0.349SS..Hα-helixtrans-66.7-41175.9-70.9166.2138.800111.9L23 S24 H25 C29 N30 I31L23-E27 HydrophobicContact CB-CB 3.91Å; L23-E27 HydrophobicContact CD2-CB 4.27Å; L23-E27 HydrophobicContact CG-CB 4.49Å; S24-E27 WeakPolarHBondContact CB-OE2 3.43Å; S24-E27 PolarHBondContact N-OE2 2.96Å; S24-E27 WeakPolarHBondContact O-CB 3.16Å; S24-E27 PolarHBondContact O-N 2.84Å; S24-E27 VanDerWaalsContact O-N 3.07Å; S24-E27 VanDerWaalsContact OG-CD 3.23Å; S24-E27 VanDerWaalsContact OG-CG 3.27Å; S24-E27 WeakPolarHBondContact OG-CG 3.37Å; S24-E27 PolarHBondContact OG-N 3.32Å; S24-E27 PolarHBondContact OG-OE2 2.67Å; H25-E27 VanDerWaalsContact C-N 3.3Å; H25-E27 PolarHBondContact O-N 2.83Å; E27-C29 VanDerWaalsContact C-N 3.31Å; E27-C29 PolarHBondContact O-N 2.86Å; E27-N30 WeakPolarHBondContact O-CB 3.39Å; E27-N30 PolarHBondContact O-N 3.11Å; E27-N30 VanDerWaalsContact O-N 3.08Å; E27-I31 WeakPolarHBondContact O-CG1 3.35Å; E27-I31 PolarHBondContact O-N 3.33Å
28L93.6Very high93.1Very high2 Ų268.7 Ų68.71%0.0135%0.347CS..Hα-helixtrans-58-42.4172.1-70174.2000111.9F20 L23 S24 H25 N30 I31 A32 A42 L47 W48F20-L28 HydrophobicContact CB-CD2 3.97Å; L23-L28 HydrophobicContact CB-CD2 3.99Å; L23-L28 HydrophobicContact CB-CG 4.05Å; L23-L28 HydrophobicContact CD1-CD2 4.12Å; S24-L28 WeakPolarHBondContact O-CG 3.42Å; S24-L28 PolarHBondContact O-N 3.48Å; H25-L28 PolarHBondContact O-N 3.48Å; L28-N30 VanDerWaalsContact C-N 3.3Å; L28-N30 PolarHBondContact O-N 2.79Å; L28-I31 HydrophobicContact CD2-CD1 4.14Å; L28-I31 WeakPolarHBondContact O-CG1 3.32Å; L28-A32 WeakPolarHBondContact O-CB 3.4Å; L28-A32 PolarHBondContact O-N 2.88Å; L28-A42 HydrophobicContact CD2-CB 4.46Å; L28-L47 HydrophobicContact CD1-CB 4.01Å; L28-L47 HydrophobicContact CD1-CD1 4.47Å; L28-L47 HydrophobicContact CD2-CD1 3.89Å; L28-W48 HydrophobicContact CB-CZ2 3.97Å; L28-W48 HydrophobicContact CD1-CZ2 4.22Å
29C91.9Very high93.1Very high33 Ų3369.5 Ų69.522%0.22335%0.346CS..Hα-helixtrans-60.7-41174.1-63.40000111.9H25 P26 E27 R75H25-C29 PolarHBondContact O-N 2.79Å; H25-C29 PolarHBondContact O-SG 3.34Å; P26-C29 WeakPolarHBondContact O-CB 3.39Å; P26-C29 PolarHBondContact O-N 3.35Å; E27-C29 VanDerWaalsContact C-N 3.31Å; E27-C29 PolarHBondContact O-N 2.86Å; C29-R75 PolarHBondContact SG-NH1 3.16Å
30N94.2Very high93.1Very high96 Ų9672.4 Ų72.451%0.51335%0.352SS..Hα-helixtrans-67.6-48.9179.4-73.5-31.3000111.8P26 E27 L28 A32 R33P26-N30 PolarHBondContact O-N 3.04Å; P26-N30 PolarHBondContact O-ND2 3.44Å; E27-N30 WeakPolarHBondContact O-CB 3.39Å; E27-N30 PolarHBondContact O-N 3.11Å; E27-N30 VanDerWaalsContact O-N 3.08Å; L28-N30 VanDerWaalsContact C-N 3.3Å; L28-N30 PolarHBondContact O-N 2.79Å; N30-A32 VanDerWaalsContact C-N 3.26Å; N30-A32 PolarHBondContact O-N 3.43Å; N30-R33 WeakPolarHBondContact O-CB 3.43Å; N30-R33 PolarHBondContact O-N 3.42Å; N30-R33 VanDerWaalsContact O-N 3.14Å
31I94.2Very high93Very high29 Ų2972.3 Ų72.315%0.14935%0.352CS..Hα-helixtrans-69.1-24.4-178.463.7144.8000112.7F20 L23 E27 L28 R33 V34 W38 A42F20-I31 HydrophobicContact CD1-CD1 3.7Å; F20-I31 HydrophobicContact CD2-CD1 3.59Å; F20-I31 HydrophobicContact CE1-CD1 3.59Å; F20-I31 HydrophobicContact CE2-CD1 3.45Å; F20-I31 VanDerWaalsContact CE2-CD1 3.45Å; F20-I31 HydrophobicContact CG-CD1 3.71Å; F20-I31 HydrophobicContact CZ-CD1 3.46Å; F20-I31 VanDerWaalsContact CZ-CD1 3.46Å; L23-I31 HydrophobicContact CD1-CD1 3.52Å; L23-I31 HydrophobicContact CD1-CG1 3.98Å; L23-I31 HydrophobicContact CD1-CG2 4.16Å; E27-I31 WeakPolarHBondContact O-CG1 3.35Å; E27-I31 PolarHBondContact O-N 3.33Å; L28-I31 HydrophobicContact CD2-CD1 4.14Å; L28-I31 WeakPolarHBondContact O-CG1 3.32Å; I31-R33 PolarHBondContact O-N 3.08Å; I31-V34 WeakPolarHBondContact O-CB 3.04Å; I31-V34 WeakPolarHBondContact O-CG2 3.24Å; I31-V34 PolarHBondContact O-N 2.78Å; I31-V34 VanDerWaalsContact O-N 3.08Å; I31-W38 HydrophobicContact CB-CE3 3.84Å; I31-W38 HydrophobicContact CB-CZ3 3.95Å; I31-W38 HydrophobicContact CD1-CE3 4.41Å; I31-W38 HydrophobicContact CG2-CZ3 4.12Å; I31-A42 HydrophobicContact CD1-CB 4Å; I31-A42 HydrophobicContact CG1-CB 4.13Å
32A93.1Very high93Very high1 Ų168.8 Ų68.81%0.00833%0.327CS..THydrogen-bonded Turntrans-62-9.2172.800000113.8L28 N30 R39 A42 Y43L28-A32 WeakPolarHBondContact O-CB 3.4Å; L28-A32 PolarHBondContact O-N 2.88Å; N30-A32 VanDerWaalsContact C-N 3.26Å; N30-A32 PolarHBondContact O-N 3.43Å; A32-R39 HydrophobicContact CB-CB 4.48Å; A32-R39 HydrophobicContact CB-CG 4.31Å; A32-R39 WeakPolarHBondContact O-CB 3.08Å; A32-R39 PolarHBondContact O-NE 3.45Å; A32-R39 PolarHBondContact O-NH2 3.13Å; A32-A42 HydrophobicContact CB-CB 3.89Å; A32-Y43 HydrophobicContact CB-CD1 4.22Å; A32-Y43 HydrophobicContact CB-CE1 3.63Å
33R94.5Very high93Very high188 Ų18864.6 Ų64.671%0.70931%0.305SS*.THydrogen-bonded Turntrans-89.6-12.5177-60.1169.361.7-171.1-0.7113.6N30 I31N30-R33 WeakPolarHBondContact O-CB 3.43Å; N30-R33 PolarHBondContact O-N 3.42Å; N30-R33 VanDerWaalsContact O-N 3.14Å; I31-R33 PolarHBondContact O-N 3.08Å
34V93.5Very high92.9Very high93 Ų9364.2 Ų64.256%0.56430%0.304SS*.SBendtrans-67.1-53.5-173.6174.40000112.2I31 W38I31-V34 WeakPolarHBondContact O-CB 3.04Å; I31-V34 WeakPolarHBondContact O-CG2 3.24Å; I31-V34 PolarHBondContact O-N 2.78Å; I31-V34 VanDerWaalsContact O-N 3.08Å; V34-W38 HydrophobicContact CB-CB 4.27Å; V34-W38 HydrophobicContact CB-CD2 4.02Å; V34-W38 HydrophobicContact CB-CE3 3.71Å; V34-W38 HydrophobicContact CB-CG 4.27Å; V34-W38 HydrophobicContact CB-CZ3 4.42Å; V34-W38 HydrophobicContact CG1-CD2 4.01Å; V34-W38 HydrophobicContact CG1-CE3 4.01Å; V34-W38 HydrophobicContact CG1-CG 4.34Å; V34-W38 HydrophobicContact CG2-CD2 4.43Å; V34-W38 HydrophobicContact CG2-CE3 3.64Å; V34-W38 HydrophobicContact CG2-CZ3 3.96Å
35C91.9Very high92.8Very high50 Ų5066.9 Ų66.934%0.33831%0.311SS..  trans-160.5171.7177.175.50000111.6M37 W38 R39C35-M37 VanDerWaalsContact C-N 3.3Å; C35-M37 PolarHBondContact O-N 3.31Å; C35-W38 PolarHBondContact O-N 3.31Å; C35-W38 VanDerWaalsContact SG-CD1 3.56Å; C35-W38 PolarHBondContact SG-N 3.44Å; C35-W38 VanDerWaalsContact SG-N 3.45Å; C35-R39 PolarHBondContact O-N 2.89Å
36K92.4Very high92.8Very high188 Ų18867.8 Ų67.882%0.81732%0.32SS*.Hα-helixtrans-57-40.1179.9-68.7-178.3179.1-179.70113.2R40K36-R40 PolarHBondContact O-N 3.07Å; K36-R40 VanDerWaalsContact O-N 3.08Å
37M92Very high92.8Very high56 Ų5666.5 Ų66.528%0.27631%0.311SS..Hα-helixtrans-66.8-47178.9-173.7-173.980.500111.5T9 C35 R39 R40 L41T9-M37 HydrophobicContact CG2-CE 3.67Å; C35-M37 VanDerWaalsContact C-N 3.3Å; C35-M37 PolarHBondContact O-N 3.31Å; M37-R39 VanDerWaalsContact C-N 3.32Å; M37-R39 PolarHBondContact O-N 3.43Å; M37-R40 PolarHBondContact O-N 3.01Å; M37-L41 HydrophobicContact CG-CD1 4.33Å; M37-L41 WeakPolarHBondContact O-CG 3.43Å; M37-L41 PolarHBondContact O-N 3.28Å
38W93.8Very high92.8Very high35 Ų3562.2 Ų62.213%0.13329%0.291CS..Hα-helixtrans-63.8-38.8178-81.940.3000111.8I8 M16 F20 I31 V34 C35 L41 A42I8-W38 HydrophobicContact CD1-CH2 4.35Å; I8-W38 HydrophobicContact CD1-CZ2 4.03Å; I8-W38 HydrophobicContact CG1-CZ2 4.44Å; I8-W38 HydrophobicContact CG2-CZ2 3.72Å; M16-W38 HydrophobicContact CE-CZ2 4.07Å; F20-W38 HydrophobicContact CE1-CZ3 4.44Å; F20-W38 AromaticContact CZ-CD2 3.84Å; F20-W38 HydrophobicContact CZ-CD2 3.84Å; F20-W38 AromaticContact CZ-CE3 3.96Å; F20-W38 HydrophobicContact CZ-CE3 3.96Å; F20-W38 HydrophobicContact CZ-CG 4.19Å; F20-W38 HydrophobicContact CZ-CZ3 4.33Å; I31-W38 HydrophobicContact CB-CE3 3.84Å; I31-W38 HydrophobicContact CB-CZ3 3.95Å; I31-W38 HydrophobicContact CD1-CE3 4.41Å; I31-W38 HydrophobicContact CG2-CZ3 4.12Å; V34-W38 HydrophobicContact CB-CB 4.27Å; V34-W38 HydrophobicContact CB-CD2 4.02Å; V34-W38 HydrophobicContact CB-CE3 3.71Å; V34-W38 HydrophobicContact CB-CG 4.27Å; V34-W38 HydrophobicContact CB-CZ3 4.42Å; V34-W38 HydrophobicContact CG1-CD2 4.01Å; V34-W38 HydrophobicContact CG1-CE3 4.01Å; V34-W38 HydrophobicContact CG1-CG 4.34Å; V34-W38 HydrophobicContact CG2-CD2 4.43Å; V34-W38 HydrophobicContact CG2-CE3 3.64Å; V34-W38 HydrophobicContact CG2-CZ3 3.96Å; C35-W38 PolarHBondContact O-N 3.31Å; C35-W38 VanDerWaalsContact SG-CD1 3.56Å; C35-W38 PolarHBondContact SG-N 3.44Å; C35-W38 VanDerWaalsContact SG-N 3.45Å; W38-L41 PolarHBondContact O-N 2.95Å; W38-A42 WeakPolarHBondContact O-CB 3.48Å; W38-A42 PolarHBondContact O-N 3.29Å
39R93.6Very high92.7Very high120 Ų12065.5 Ų65.545%0.45331%0.306SS..Hα-helixtrans-57.6-48.7172.3-172.8169.7-63.8166.8-1.1112.1A32 C35 M37 L41 A42 Y43A32-R39 HydrophobicContact CB-CB 4.48Å; A32-R39 HydrophobicContact CB-CG 4.31Å; A32-R39 WeakPolarHBondContact O-CB 3.08Å; A32-R39 PolarHBondContact O-NE 3.45Å; A32-R39 PolarHBondContact O-NH2 3.13Å; C35-R39 PolarHBondContact O-N 2.89Å; M37-R39 VanDerWaalsContact C-N 3.32Å; M37-R39 PolarHBondContact O-N 3.43Å; R39-L41 VanDerWaalsContact C-N 3.33Å; R39-L41 PolarHBondContact O-N 2.82Å; R39-A42 PolarHBondContact O-N 3.42Å; R39-Y43 HydrophobicContact CG-CD2 4.3Å; R39-Y43 HydrophobicContact CG-CE2 4.15Å; R39-Y43 WeakPolarHBondContact O-CB 3.26Å; R39-Y43 PolarHBondContact O-N 3.07Å
40R93.9Very high92.8Very high131 Ų13166.7 Ų66.749%0.49432%0.315SS..Hα-helixtrans-59.2-44.2178.5-178.9174.159.383-2.9111.7E13 K36 M37 D44E13-R40 VanDerWaalsContact CD-NH2 3.34Å; E13-R40 IonicContact OE1-CZ 3.52Å; E13-R40 IonicContact OE1-NH1 3.48Å; E13-R40 PolarHBondContact OE1-NH1 2.98Å; E13-R40 IonicContact OE1-NH2 2.67Å; E13-R40 PolarHBondContact OE1-NH2 3.09Å; E13-R40 IonicContact OE2-CZ 3.6Å; E13-R40 IonicContact OE2-NH1 2.79Å; E13-R40 PolarHBondContact OE2-NH1 3.07Å; E13-R40 IonicContact OE2-NH2 3.48Å; E13-R40 PolarHBondContact OE2-NH2 3.43Å; K36-R40 PolarHBondContact O-N 3.07Å; K36-R40 VanDerWaalsContact O-N 3.08Å; M37-R40 PolarHBondContact O-N 3.01Å; R40-D44 PolarHBondContact O-N 3.07Å
41L93.7Very high92.6Very high1 Ų162.1 Ų62.11%0.00529%0.29CS..Hα-helixtrans-72.4-41180-67.1174.9000112.6E13 M16 L17 F20 M37 W38 R39 Y43 D44 L47E13-L41 HydrophobicContact CB-CD2 4.01Å; E13-L41 HydrophobicContact CG-CD2 4.12Å; M16-L41 HydrophobicContact CB-CD1 3.76Å; M16-L41 HydrophobicContact CE-CD1 4.5Å; M16-L41 HydrophobicContact CG-CD1 4.26Å; L17-L41 HydrophobicContact CD2-CB 4.29Å; L17-L41 HydrophobicContact CD2-CD2 4.12Å; L17-L41 WeakPolarHBondContact CD2-O 3.49Å; L17-L41 HydrophobicContact CG-CD2 4.17Å; F20-L41 HydrophobicContact CD2-CB 3.94Å; F20-L41 HydrophobicContact CE2-CB 3.65Å; F20-L41 HydrophobicContact CE2-CD1 4.47Å; M37-L41 HydrophobicContact CG-CD1 4.33Å; M37-L41 WeakPolarHBondContact O-CG 3.43Å; M37-L41 PolarHBondContact O-N 3.28Å; W38-L41 PolarHBondContact O-N 2.95Å; R39-L41 VanDerWaalsContact C-N 3.33Å; R39-L41 PolarHBondContact O-N 2.82Å; L41-Y43 PolarHBondContact O-N 3.33Å; L41-D44 WeakPolarHBondContact O-CB 3.34Å; L41-D44 PolarHBondContact O-N 2.96Å; L41-D44 VanDerWaalsContact O-N 3.11Å; L41-L47 WeakPolarHBondContact O-CD1 3.36Å
42A93.8Very high92.3Very high0 Ų062.6 Ų62.60%029%0.293CS..Hα-helixtrans-66.6-23.117800000112.5F20 L28 I31 A32 W38 R39 W48F20-A42 HydrophobicContact CD2-CB 4.42Å; F20-A42 HydrophobicContact CE2-CB 4.43Å; L28-A42 HydrophobicContact CD2-CB 4.46Å; I31-A42 HydrophobicContact CD1-CB 4Å; I31-A42 HydrophobicContact CG1-CB 4.13Å; A32-A42 HydrophobicContact CB-CB 3.89Å; W38-A42 WeakPolarHBondContact O-CB 3.48Å; W38-A42 PolarHBondContact O-N 3.29Å; R39-A42 PolarHBondContact O-N 3.42Å; A42-W48 PolarHBondContact O-NE1 2.68Å
43Y92.6Very high92.1Very high74 Ų7463.6 Ų63.629%0.2930%0.298SS..THydrogen-bonded Turntrans-96.96.7175.3-70.76.9000112.8A32 R39 L41 H45 R75A32-Y43 HydrophobicContact CB-CD1 4.22Å; A32-Y43 HydrophobicContact CB-CE1 3.63Å; R39-Y43 HydrophobicContact CG-CD2 4.3Å; R39-Y43 HydrophobicContact CG-CE2 4.15Å; R39-Y43 WeakPolarHBondContact O-CB 3.26Å; R39-Y43 PolarHBondContact O-N 3.07Å; L41-Y43 PolarHBondContact O-N 3.33Å; Y43-H45 PolarHBondContact O-N 3.39Å; Y43-R75 HydrophobicContact CD1-CG 4.32Å; Y43-R75 HydrophobicContact CD2-CG 4.45Å; Y43-R75 HydrophobicContact CG-CG 4.26Å; Y43-R75 PolarHBondContact OH-NH2 3.35Å
44D91.5Very high91.6Very high45 Ų4558 Ų5824%0.24128%0.277CS..  trans-62.3127.3176-174.9-81.8000110.4L17 R40 L41 S46 L47L17-D44 HydrophobicContact CD2-CB 3.49Å; L17-D44 VanDerWaalsContact CD2-CB 3.49Å; R40-D44 PolarHBondContact O-N 3.07Å; L41-D44 WeakPolarHBondContact O-CB 3.34Å; L41-D44 PolarHBondContact O-N 2.96Å; L41-D44 VanDerWaalsContact O-N 3.11Å; D44-S46 PolarHBondContact O-N 2.99Å; D44-S46 WeakPolarHBondContact OD1-CB 3.36Å; D44-S46 PolarHBondContact OD1-N 3.08Å; D44-S46 PolarHBondContact OD1-OG 3.05Å; D44-L47 WeakPolarHBondContact O-CB 3.08Å; D44-L47 PolarHBondContact O-N 3.34Å
45H88.8Confident91.2Very high100 Ų10056.4 Ų56.446%0.46327%0.269SS..G310 helixtrans-56.7-22.5-173.86875.6000113.7Y43 L47 W48 R75Y43-H45 PolarHBondContact O-N 3.39Å; H45-L47 PolarHBondContact O-N 3.21Å; H45-W48 PolarHBondContact O-N 3.23Å; H45-R75 WeakPolarHBondContact CA-O 3.41Å
46S90.1Very high90.7Very high45 Ų4560.2 Ų60.232%0.31528%0.282SS..G310 helixtrans-66.2-22.117770.30000113.3D44 Q49D44-S46 PolarHBondContact O-N 2.99Å; D44-S46 WeakPolarHBondContact OD1-CB 3.36Å; D44-S46 PolarHBondContact OD1-N 3.08Å; D44-S46 PolarHBondContact OD1-OG 3.05Å; S46-Q49 WeakPolarHBondContact O-CG 3.38Å; S46-Q49 PolarHBondContact O-NE2 3.23Å
47L92.2Very high90Very high20 Ų2058.8 Ų58.811%0.10527%0.272CS..G310 helixtrans-87.9-11.1177-54-179.9000113.2L17 F20 L28 L41 D44 H45L17-L47 HydrophobicContact CD2-CD1 4.03Å; L17-L47 HydrophobicContact CD2-CG 4.24Å; F20-L47 HydrophobicContact CB-CD1 3.73Å; F20-L47 HydrophobicContact CB-CD2 4.34Å; F20-L47 HydrophobicContact CD2-CD1 4.36Å; L28-L47 HydrophobicContact CD1-CB 4.01Å; L28-L47 HydrophobicContact CD1-CD1 4.47Å; L28-L47 HydrophobicContact CD2-CD1 3.89Å; L41-L47 WeakPolarHBondContact O-CD1 3.36Å; D44-L47 WeakPolarHBondContact O-CB 3.08Å; D44-L47 PolarHBondContact O-N 3.34Å; H45-L47 PolarHBondContact O-N 3.21Å
48W92.9Very high89.4Confident0 Ų058.1 Ų58.10%028%0.279CS..  trans-119.229.4-173-62.783.7000112H25 L28 A42 H45 S50 L51 I60 L71 R75H25-W48 HydrophobicContact CB-CH2 4.04Å; H25-W48 HydrophobicContact CB-CZ3 4.14Å; H25-W48 AromaticContact CD2-CE3 3.96Å; L28-W48 HydrophobicContact CB-CZ2 3.97Å; L28-W48 HydrophobicContact CD1-CZ2 4.22Å; A42-W48 PolarHBondContact O-NE1 2.68Å; H45-W48 PolarHBondContact O-N 3.23Å; W48-S50 VanDerWaalsContact C-N 3.32Å; W48-L51 HydrophobicContact CE3-CD1 4.13Å; W48-L51 HydrophobicContact CZ3-CD1 4.25Å; W48-I60 HydrophobicContact CE3-CD1 4.49Å; W48-I60 HydrophobicContact CH2-CD1 3.9Å; W48-I60 HydrophobicContact CZ3-CD1 3.41Å; W48-I60 VanDerWaalsContact CZ3-CD1 3.41Å; W48-L71 HydrophobicContact CZ3-CD2 4.12Å; W48-R75 HydrophobicContact CD2-CB 3.62Å; W48-R75 HydrophobicContact CE3-CB 3.9Å; W48-R75 HydrophobicContact CG-CB 3.84Å; W48-R75 HydrophobicContact CZ3-CB 4.43Å
49Q93.2Very high89Confident70 Ų7056.7 Ų56.733%0.32728%0.275SS..SBendtrans-71.4-26.4-179.1-63.6-178.424.100113.1S46 G79 R81 C82S46-Q49 WeakPolarHBondContact O-CG 3.38Å; S46-Q49 PolarHBondContact O-NE2 3.23Å; Q49-G79 WeakPolarHBondContact CA-O 3.05Å; Q49-R81 HydrophobicContact CB-CG 4.38Å; Q49-R81 WeakPolarHBondContact O-CA 3.21Å; Q49-R81 WeakPolarHBondContact O-CB 3.43Å; Q49-R81 PolarHBondContact O-N 2.94Å; Q49-C82 PolarHBondContact O-N 3.19Å
50S92.1Very high88.7Confident58 Ų5852 Ų5241%0.40626%0.259SS..EExtended strand (participates in β ladder)trans-124.8125.5173.8173.60000107.2H25 W48 C82H25-S50 PolarHBondContact CE1-O 2.9Å; H25-S50 PolarHBondContact NE2-O 3.05Å; H25-S50 VanDerWaalsContact NE2-O 3.1Å; W48-S50 VanDerWaalsContact C-N 3.32Å; S50-C82 CarbonylContact C-O 3.48Å; S50-C82 VanDerWaalsContact CA-O 3.32Å; S50-C82 WeakPolarHBondContact CA-O 3.22Å
51L91.5Very high88.4Confident1 Ų152 Ų521%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-105.3102178.7-172.166.7000109.3W48 L53 I60 L68 L80 C82 I83W48-L51 HydrophobicContact CE3-CD1 4.13Å; W48-L51 HydrophobicContact CZ3-CD1 4.25Å; L51-L53 HydrophobicContact CD1-CD2 4.24Å; L51-L53 HydrophobicContact CD2-CD2 3.84Å; L51-L53 HydrophobicContact CD2-CG 4.4Å; L51-L53 HydrophobicContact CG-CD2 3.67Å; L51-L53 HydrophobicContact CG-CG 4.2Å; L51-I60 HydrophobicContact CD1-CD1 3.89Å; L51-L68 HydrophobicContact CD2-CD1 3.78Å; L51-L80 HydrophobicContact CB-CD1 3.87Å; L51-C82 PolarHBondContact N-O 2.87Å; L51-I83 HydrophobicContact CB-CD1 4.49Å; L51-I83 HydrophobicContact CB-CG1 4.2Å; L51-I83 HydrophobicContact CD2-CD1 3.81Å; L51-I83 HydrophobicContact CD2-CG1 4.3Å
52N86.4Confident88.2Confident39 Ų3952.8 Ų52.821%0.20927%0.268CS..  trans-85.6117.4172.8-178.12.4000109.5R54 Y57 G59 I60N52-R54 WeakPolarHBondContact OD1-CB 3.46Å; N52-R54 PolarHBondContact OD1-N 3.01Å; N52-Y57 PolarHBondContact ND2-O 3Å; N52-Y57 VanDerWaalsContact ND2-O 3.12Å; N52-G59 CarbonylContact O-C 3.6Å; N52-G59 WeakPolarHBondContact O-CA 3.39Å; N52-I60 PolarHBondContact O-N 2.98Å
53L90.2Very high87.8Confident22 Ų2262.2 Ų62.212%0.11530%0.303CS..  trans-102.89.8-179.6-59.2-176.1000113.5L51 P55 I60 V62 L68 L85 L89L51-L53 HydrophobicContact CD1-CD2 4.24Å; L51-L53 HydrophobicContact CD2-CD2 3.84Å; L51-L53 HydrophobicContact CD2-CG 4.4Å; L51-L53 HydrophobicContact CG-CD2 3.67Å; L51-L53 HydrophobicContact CG-CG 4.2Å; L53-P55 WeakPolarHBondContact O-CD 3.38Å; L53-I60 CarbonylContact C-O 3.58Å; L53-I60 WeakPolarHBondContact CA-O 3.44Å; L53-V62 HydrophobicContact CD2-CG2 3.81Å; L53-L68 HydrophobicContact CD1-CD1 3.91Å; L53-L68 HydrophobicContact CD1-CD2 4.36Å; L53-L68 HydrophobicContact CD2-CD1 4.29Å; L53-L85 HydrophobicContact CD1-CD2 3.95Å; L53-L89 HydrophobicContact CD1-CD1 3.72Å
54R84Confident87.6Confident69 Ų6960.8 Ų60.826%0.2631%0.305SS..  trans-100.7101.5179.4-72.1-172.9-77.1169.3-2.2111.8N52 E56 Y57 G59 E84 N493N52-R54 WeakPolarHBondContact OD1-CB 3.46Å; N52-R54 PolarHBondContact OD1-N 3.01Å; R54-E56 VanDerWaalsContact C-N 3.28Å; R54-E56 WeakPolarHBondContact CB-OE1 3.48Å; R54-E56 PolarHBondContact O-N 3.16Å; R54-Y57 HydrophobicContact CB-CD2 3.94Å; R54-Y57 PolarHBondContact O-N 2.87Å; R54-G59 VanDerWaalsContact O-CA 3.24Å; R54-G59 WeakPolarHBondContact O-CA 3.3Å; R54-G59 PolarHBondContact O-N 2.7Å; R54-E84 IonicContact CZ-OE2 3.32Å; R54-E84 IonicContact NE-OE2 3.51Å; R54-E84 PolarHBondContact NE-OE2 2.94Å; R54-E84 IonicContact NH2-OE1 2.76Å; R54-E84 IonicContact NH2-OE2 3.65Å; R54-E84 PolarHBondContact NH2-OE2 2.91Å; R54-N493 PolarHBondContact NH2-ND2 3.1Å; R54-N493 PolarHBondContact NH2-OD1 3.17Å
55P84.3Confident87.7Confident60 Ų6061.5 Ų61.539%0.3931%0.308SS..G310 helixtrans-59.2-35.3-174.1-24.335.1000114.1L53 Y57 G58 F61L53-P55 WeakPolarHBondContact O-CD 3.38Å; P55-Y57 PolarHBondContact O-N 2.88Å; P55-G58 PolarHBondContact O-N 3.13Å; P55-F61 HydrophobicContact CB-CB 4.44Å; P55-F61 HydrophobicContact CG-CB 3.66Å; P55-F61 HydrophobicContact CG-CD2 3.74Å; P55-F61 HydrophobicContact CG-CG 4.14Å
56E80.8Confident88Confident131 Ų13162 Ų6261%0.61231%0.313SS*.G310 helixtrans-61.8-21.1177.661.6-79.2177.200113.3R54R54-E56 VanDerWaalsContact C-N 3.28Å; R54-E56 WeakPolarHBondContact CB-OE1 3.48Å; R54-E56 PolarHBondContact O-N 3.16Å
57Y78.6Confident88.1Confident158 Ų15863.3 Ų63.362%0.6232%0.315SS*.G310 helixtrans-109.826.2174.5-58.9-69.4000112.7N52 R54 P55 G59N52-Y57 PolarHBondContact ND2-O 3Å; N52-Y57 VanDerWaalsContact ND2-O 3.12Å; R54-Y57 HydrophobicContact CB-CD2 3.94Å; R54-Y57 PolarHBondContact O-N 2.87Å; P55-Y57 PolarHBondContact O-N 2.88Å; Y57-G59 VanDerWaalsContact C-N 3.29Å; Y57-G59 PolarHBondContact O-N 3.37Å
58G78.6Confident88.3Confident41 Ų4162.4 Ų62.442%0.42331%0.31SS..THydrogen-bonded Turntrans7614.8179.600000114.3P26 P55P26-G58 WeakPolarHBondContact CD-O 3.44Å; P55-G58 PolarHBondContact O-N 3.13Å
59G85.6Confident88.4Confident5 Ų564 Ų645%0.05232%0.319CS..  trans-74.3175.6174.500000113.6N52 R54 Y57N52-G59 CarbonylContact O-C 3.6Å; N52-G59 WeakPolarHBondContact O-CA 3.39Å; R54-G59 VanDerWaalsContact O-CA 3.24Å; R54-G59 WeakPolarHBondContact O-CA 3.3Å; R54-G59 PolarHBondContact O-N 2.7Å; Y57-G59 VanDerWaalsContact C-N 3.29Å; Y57-G59 PolarHBondContact O-N 3.37Å
60I87.6Confident88.4Confident21 Ų2164.8 Ų64.811%0.10833%0.325CS..  trans-89125.1176.6-53.8174000108.3H25 W48 L51 N52 L53 V62 L71H25-I60 HydrophobicContact CB-CD1 3.44Å; H25-I60 VanDerWaalsContact CB-CD1 3.44Å; H25-I60 HydrophobicContact CB-CG1 3.37Å; W48-I60 HydrophobicContact CE3-CD1 4.49Å; W48-I60 HydrophobicContact CH2-CD1 3.9Å; W48-I60 HydrophobicContact CZ3-CD1 3.41Å; W48-I60 VanDerWaalsContact CZ3-CD1 3.41Å; L51-I60 HydrophobicContact CD1-CD1 3.89Å; N52-I60 PolarHBondContact O-N 2.98Å; L53-I60 CarbonylContact C-O 3.58Å; L53-I60 WeakPolarHBondContact CA-O 3.44Å; I60-V62 HydrophobicContact CG2-CG2 4.21Å; I60-V62 PolarHBondContact O-N 2.88Å; I60-L71 HydrophobicContact CD1-CD1 4.11Å; I60-L71 HydrophobicContact CD1-CD2 4.21Å; I60-L71 HydrophobicContact CG2-CD1 4.11Å
61F88.6Confident88.4Confident131 Ų13162.6 Ų62.658%0.57531%0.309SS*.  trans-73.7120.2167.1-174.5-120.6000109.7P55 R63P55-F61 HydrophobicContact CB-CB 4.44Å; P55-F61 HydrophobicContact CG-CB 3.66Å; P55-F61 HydrophobicContact CG-CD2 3.74Å; P55-F61 HydrophobicContact CG-CG 4.14Å; F61-R63 HydrophobicContact CD1-CG 3.75Å; F61-R63 HydrophobicContact CE1-CG 3.39Å; F61-R63 HydrophobicContact CZ-CG 4.23Å
62V88.6Confident88.5Confident19 Ų1962.6 Ų62.612%0.11531%0.308CS..  trans-110.1119.61771760000108.8L53 I60 S64 E67 L68 L71L53-V62 HydrophobicContact CD2-CG2 3.81Å; I60-V62 HydrophobicContact CG2-CG2 4.21Å; I60-V62 PolarHBondContact O-N 2.88Å; V62-S64 WeakPolarHBondContact CG1-O 3.4Å; V62-E67 HydrophobicContact CG1-CB 3.78Å; V62-L68 HydrophobicContact CG1-CB 3.93Å; V62-L71 HydrophobicContact CG2-CD1 3.72Å
63R84.9Confident88.7Confident197 Ų19764.7 Ų64.774%0.74332%0.317SS*.  trans-89.2-20.9-174.5-65.1172.5-178.1-178.30.6113.5F61 E67F61-R63 HydrophobicContact CD1-CG 3.75Å; F61-R63 HydrophobicContact CE1-CG 3.39Å; F61-R63 HydrophobicContact CZ-CG 4.23Å; R63-E67 WeakPolarHBondContact CB-OE2 3.46Å; R63-E67 PolarHBondContact N-OE2 2.88Å
64S89.5Confident88.6Confident45 Ų4569 Ų6932%0.31534%0.336SS..SBendtrans-149.4159.3-176.370.20000111.3V62 D66 E67 L68V62-S64 WeakPolarHBondContact CG1-O 3.4Å; S64-D66 PolarHBondContact O-N 3.14Å; S64-E67 WeakPolarHBondContact O-CB 3.17Å; S64-E67 PolarHBondContact O-N 3.05Å; S64-E67 VanDerWaalsContact O-N 3.15Å; S64-E67 PolarHBondContact OG-N 3.37Å; S64-L68 PolarHBondContact O-N 3.12Å
65I93.2Very high88.9Confident59 Ų5967.8 Ų67.830%0.30333%0.332SS..Hα-helixtrans-56.6-40.9173.4-65.9166.6000110.6E67 L68 L69 T91 V94I65-E67 VanDerWaalsContact C-N 3.3Å; I65-E67 PolarHBondContact O-N 2.82Å; I65-L68 WeakPolarHBondContact O-CB 3.19Å; I65-L68 PolarHBondContact O-N 2.84Å; I65-L68 VanDerWaalsContact O-N 3.09Å; I65-L69 HydrophobicContact CG2-CD1 3.84Å; I65-L69 HydrophobicContact CG2-CG 4.08Å; I65-L69 WeakPolarHBondContact O-CG 3.35Å; I65-L69 PolarHBondContact O-N 2.83Å; I65-T91 HydrophobicContact CD1-CG2 3.74Å; I65-T91 HydrophobicContact CG1-CG2 4.47Å; I65-V94 HydrophobicContact CG2-CG2 3.79Å
66D94.9Very high89.1Confident110 Ų11065 Ų6559%0.58831%0.314SS*.Hα-helixtrans-60.8-37.1178.6-64.7-42.9000112.9S64 L69 N70S64-D66 PolarHBondContact O-N 3.14Å; D66-L69 PolarHBondContact O-N 3.18Å; D66-N70 WeakPolarHBondContact O-CB 3.44Å; D66-N70 VanDerWaalsContact O-CG 3.28Å; D66-N70 PolarHBondContact O-N 3.5Å; D66-N70 PolarHBondContact O-ND2 3.11Å
67E93.1Very high89.4Confident74 Ų7459.4 Ų59.435%0.34629%0.291SS..Hα-helixtrans-64.3-42.1175-79.5-179.4-173.900111V62 R63 S64 I65 N70 L71V62-E67 HydrophobicContact CG1-CB 3.78Å; R63-E67 WeakPolarHBondContact CB-OE2 3.46Å; R63-E67 PolarHBondContact N-OE2 2.88Å; S64-E67 WeakPolarHBondContact O-CB 3.17Å; S64-E67 PolarHBondContact O-N 3.05Å; S64-E67 VanDerWaalsContact O-N 3.15Å; S64-E67 PolarHBondContact OG-N 3.37Å; I65-E67 VanDerWaalsContact C-N 3.3Å; I65-E67 PolarHBondContact O-N 2.82Å; E67-N70 PolarHBondContact O-N 3.27Å; E67-L71 VanDerWaalsContact O-CG 3.32Å; E67-L71 WeakPolarHBondContact O-CG 3.15Å; E67-L71 PolarHBondContact O-N 3.3Å; E67-L71 VanDerWaalsContact O-N 3.07Å
68L95Very high89.9Confident0 Ų055.1 Ų55.10%028%0.284CS..Hα-helixtrans-63.5-47.6175.5-175.251.5000111.7L51 L53 V62 S64 I65 N70 L71 I72 I83 L85 L89 V94L51-L68 HydrophobicContact CD2-CD1 3.78Å; L53-L68 HydrophobicContact CD1-CD1 3.91Å; L53-L68 HydrophobicContact CD1-CD2 4.36Å; L53-L68 HydrophobicContact CD2-CD1 4.29Å; V62-L68 HydrophobicContact CG1-CB 3.93Å; S64-L68 PolarHBondContact O-N 3.12Å; I65-L68 WeakPolarHBondContact O-CB 3.19Å; I65-L68 PolarHBondContact O-N 2.84Å; I65-L68 VanDerWaalsContact O-N 3.09Å; L68-N70 VanDerWaalsContact C-N 3.29Å; L68-N70 PolarHBondContact O-N 3.25Å; L68-L71 WeakPolarHBondContact O-CB 3.45Å; L68-L71 PolarHBondContact O-N 2.99Å; L68-L71 VanDerWaalsContact O-N 3.09Å; L68-I72 HydrophobicContact CD1-CD1 4.14Å; L68-I72 HydrophobicContact CD1-CG1 4.31Å; L68-I72 HydrophobicContact CG-CD1 3.94Å; L68-I72 WeakPolarHBondContact O-CG1 3.35Å; L68-I72 PolarHBondContact O-N 2.53Å; L68-I83 HydrophobicContact CD1-CD1 4.5Å; L68-L85 HydrophobicContact CD2-CD2 3.91Å; L68-L89 HydrophobicContact CD2-CB 4.29Å; L68-L89 HydrophobicContact CD2-CD1 4.43Å; L68-L89 HydrophobicContact CD2-CD2 4.34Å; L68-V94 HydrophobicContact CD2-CB 4.47Å; L68-V94 HydrophobicContact CD2-CG1 3.63Å; L68-V94 HydrophobicContact CD2-CG2 3.93Å; L68-V94 HydrophobicContact CG-CG1 4.45Å
69L96.1Very high90.4Very high35 Ų3553.5 Ų53.518%0.18327%0.268CS..Hα-helixtrans-58.6-42.9178.7-67.3176.1000110.9I65 D66 L71 I72 H73 P93 V94 E97I65-L69 HydrophobicContact CG2-CD1 3.84Å; I65-L69 HydrophobicContact CG2-CG 4.08Å; I65-L69 WeakPolarHBondContact O-CG 3.35Å; I65-L69 PolarHBondContact O-N 2.83Å; D66-L69 PolarHBondContact O-N 3.18Å; L69-L71 VanDerWaalsContact C-N 3.34Å; L69-L71 PolarHBondContact O-N 3.15Å; L69-I72 PolarHBondContact O-N 2.93Å; L69-H73 WeakPolarHBondContact O-CB 3.27Å; L69-H73 PolarHBondContact O-N 2.93Å; L69-P93 HydrophobicContact CD1-CB 4.18Å; L69-V94 HydrophobicContact CD2-CG2 4.34Å; L69-E97 HydrophobicContact CD2-CB 3.57Å; L69-E97 HydrophobicContact CD2-CG 3.82Å
70N93Very high90.9Very high86 Ų8653.3 Ų53.346%0.4627%0.265SS..Hα-helixtrans-63.9-36.5175.8-78.2-51.5000113.1D66 E67 L68 H74D66-N70 WeakPolarHBondContact O-CB 3.44Å; D66-N70 VanDerWaalsContact O-CG 3.28Å; D66-N70 PolarHBondContact O-N 3.5Å; D66-N70 PolarHBondContact O-ND2 3.11Å; E67-N70 PolarHBondContact O-N 3.27Å; L68-N70 VanDerWaalsContact C-N 3.29Å; L68-N70 PolarHBondContact O-N 3.25Å; N70-H74 WeakPolarHBondContact O-CB 3.45Å; N70-H74 PolarHBondContact O-CD2 3.17Å; N70-H74 PolarHBondContact O-N 3.1Å
71L92.2Very high91.3Very high12 Ų1257.4 Ų57.46%0.06328%0.28CS..Hα-helixtrans-64.6-47.4174.6-71171.9000111.4W48 I60 V62 E67 L68 L69 R75 S76W48-L71 HydrophobicContact CZ3-CD2 4.12Å; I60-L71 HydrophobicContact CD1-CD1 4.11Å; I60-L71 HydrophobicContact CD1-CD2 4.21Å; I60-L71 HydrophobicContact CG2-CD1 4.11Å; V62-L71 HydrophobicContact CG2-CD1 3.72Å; E67-L71 VanDerWaalsContact O-CG 3.32Å; E67-L71 WeakPolarHBondContact O-CG 3.15Å; E67-L71 PolarHBondContact O-N 3.3Å; E67-L71 VanDerWaalsContact O-N 3.07Å; L68-L71 WeakPolarHBondContact O-CB 3.45Å; L68-L71 PolarHBondContact O-N 2.99Å; L68-L71 VanDerWaalsContact O-N 3.09Å; L69-L71 VanDerWaalsContact C-N 3.34Å; L69-L71 PolarHBondContact O-N 3.15Å; L71-R75 WeakPolarHBondContact O-CB 3.42Å; L71-R75 PolarHBondContact O-N 2.9Å; L71-S76 PolarHBondContact O-N 2.78Å
72I93.7Very high91.6Very high0 Ų052.6 Ų52.60%026%0.262CS..Iπ-helixtrans-61.7-47.6177.3-64.6165.6000109.6L68 L69 G77 E97 L98L68-I72 HydrophobicContact CD1-CD1 4.14Å; L68-I72 HydrophobicContact CD1-CG1 4.31Å; L68-I72 HydrophobicContact CG-CD1 3.94Å; L68-I72 WeakPolarHBondContact O-CG1 3.35Å; L68-I72 PolarHBondContact O-N 2.53Å; L69-I72 PolarHBondContact O-N 2.93Å; I72-G77 VanDerWaalsContact O-CA 3.27Å; I72-G77 WeakPolarHBondContact O-CA 3.38Å; I72-G77 PolarHBondContact O-N 3.17Å; I72-E97 HydrophobicContact CB-CG 4.26Å; I72-E97 HydrophobicContact CG2-CG 3.79Å; I72-L98 HydrophobicContact CD1-CD2 3.71Å; I72-L98 HydrophobicContact CD1-CG 4.14Å; I72-L98 HydrophobicContact CG1-CD2 4.28Å
73H91.1Very high91.9Very high83 Ų8351.7 Ų51.738%0.38426%0.256SS..Iπ-helixtrans-66.4-44.6-174.6-165.387.6000113.5L69 E97 R101L69-H73 WeakPolarHBondContact O-CB 3.27Å; L69-H73 PolarHBondContact O-N 2.93Å; H73-E97 IonicContact CG-OE1 3.98Å; H73-E97 IonicContact ND1-OE1 3.28Å; H73-E97 PolarHBondContact ND1-OE1 2.96Å; H73-R101 PolarHBondContact CE1-NH2 2.77Å; H73-R101 PolarHBondContact ND1-NE 2.68Å; H73-R101 VanDerWaalsContact ND1-NE 3.15Å
74H88.1Confident92.3Very high112 Ų11244.2 Ų44.252%0.51923%0.23SC..Iπ-helixtrans-100.7-12-169.6-68.1-61.7000115.1N70N70-H74 WeakPolarHBondContact O-CB 3.45Å; N70-H74 PolarHBondContact O-CD2 3.17Å; N70-H74 PolarHBondContact O-N 3.1Å
75R89.6Confident92.5Very high45 Ų4542.2 Ų42.217%0.1722%0.215CC..Iπ-helixtrans-130.5-55.6-171-47.7-176-171173.72.8112.7C29 Y43 H45 W48 L71C29-R75 PolarHBondContact SG-NH1 3.16Å; Y43-R75 HydrophobicContact CD1-CG 4.32Å; Y43-R75 HydrophobicContact CD2-CG 4.45Å; Y43-R75 HydrophobicContact CG-CG 4.26Å; Y43-R75 PolarHBondContact OH-NH2 3.35Å; H45-R75 WeakPolarHBondContact CA-O 3.41Å; W48-R75 HydrophobicContact CD2-CB 3.62Å; W48-R75 HydrophobicContact CE3-CB 3.9Å; W48-R75 HydrophobicContact CG-CB 3.84Å; W48-R75 HydrophobicContact CZ3-CB 4.43Å; L71-R75 WeakPolarHBondContact O-CB 3.42Å; L71-R75 PolarHBondContact O-N 2.9Å
76S89.2Confident92.4Very high1 Ų141.9 Ų41.91%0.00722%0.219CC..Iπ-helixtrans-83.1-57.5-174-44.50000111.9L71 S78 G79 L80L71-S76 PolarHBondContact O-N 2.78Å; S76-S78 PolarHBondContact O-N 3.33Å; S76-G79 WeakPolarHBondContact O-CA 3.27Å; S76-G79 PolarHBondContact O-N 2.99Å; S76-L80 PolarHBondContact O-N 3.37Å
77G86.4Confident92.2Very high14 Ų1437.8 Ų37.814%0.14420%0.198CC..G310 helixtrans40.8-128.4178.500000113.4I72 G79 L80 R101 C102I72-G77 VanDerWaalsContact O-CA 3.27Å; I72-G77 WeakPolarHBondContact O-CA 3.38Å; I72-G77 PolarHBondContact O-N 3.17Å; G77-G79 PolarHBondContact O-N 2.94Å; G77-G79 VanDerWaalsContact O-N 3.17Å; G77-L80 WeakPolarHBondContact O-CB 3.39Å; G77-L80 PolarHBondContact O-N 3.16Å; G77-L80 VanDerWaalsContact O-N 3.16Å; G77-R101 CarbonylContact C-O 3.6Å; G77-C102 PolarHBondContact O-SG 2.91Å; G77-C102 VanDerWaalsContact O-SG 3.35Å
78S88.9Confident92.1Very high67 Ų6740.3 Ų40.347%0.46921%0.214SC..G310 helixtrans-68.9-11.8-179.863.20000114.5S76 R101 N104S76-S78 PolarHBondContact O-N 3.33Å; S78-R101 WeakPolarHBondContact CA-O 3.44Å; S78-R101 PolarHBondContact N-O 3.42Å; S78-R101 VanDerWaalsContact N-O 3.16Å; S78-N104 WeakPolarHBondContact O-CB 3.31Å; S78-N104 PolarHBondContact O-ND2 3Å
79G90Very high92Very high8 Ų841.3 Ų41.38%0.08222%0.22CC..G310 helixtrans-81.8-16.5174.400000113.9Q49 S76 G77 R81Q49-G79 WeakPolarHBondContact CA-O 3.05Å; S76-G79 WeakPolarHBondContact O-CA 3.27Å; S76-G79 PolarHBondContact O-N 2.99Å; G77-G79 PolarHBondContact O-N 2.94Å; G77-G79 VanDerWaalsContact O-N 3.17Å; G79-R81 PolarHBondContact O-N 3.43Å
80L95Very high92Very high0 Ų039.7 Ų39.70%021%0.211CC..  trans-64.5129.3-177.1-169.163.2000111L51 S76 G77 C82 I83 L98 C102 N104 L105L51-L80 HydrophobicContact CB-CD1 3.87Å; S76-L80 PolarHBondContact O-N 3.37Å; G77-L80 WeakPolarHBondContact O-CB 3.39Å; G77-L80 PolarHBondContact O-N 3.16Å; G77-L80 VanDerWaalsContact O-N 3.16Å; L80-C82 WeakPolarHBondContact CD1-O 3.46Å; L80-I83 HydrophobicContact CD2-CB 4.26Å; L80-I83 HydrophobicContact CD2-CD1 4.26Å; L80-I83 HydrophobicContact CD2-CG2 4.48Å; L80-L98 HydrophobicContact CD2-CD2 3.64Å; L80-C102 HydrophobicContact CB-CB 4.17Å; L80-C102 HydrophobicContact CD2-CB 4.3Å; L80-N104 CarbonylContact O-C 3.58Å; L80-L105 HydrophobicContact CD2-CD1 4.09Å; L80-L105 HydrophobicContact CG-CD1 3.91Å; L80-L105 WeakPolarHBondContact O-CA 3.06Å; L80-L105 PolarHBondContact O-N 3.01Å
81R95.6Very high92Very high108 Ų10836.1 Ų36.141%0.40819%0.193SC..  trans-122.5-28.6-179.8-62.7-176.8-179.6-155.4-0.5112.8Q49 G79 R106 Y107Q49-R81 HydrophobicContact CB-CG 4.38Å; Q49-R81 WeakPolarHBondContact O-CA 3.21Å; Q49-R81 WeakPolarHBondContact O-CB 3.43Å; Q49-R81 PolarHBondContact O-N 2.94Å; G79-R81 PolarHBondContact O-N 3.43Å; R81-R106 PolarHBondContact O-N 3.12Å; R81-Y107 PolarHBondContact O-N 3.27Å
82C95.3Very high92.3Very high29 Ų2937.3 Ų37.320%0.19620%0.199CC..EExtended strand (participates in β ladder)trans-140129.5-176.2171.70000110.5Q49 S50 L51 L80 Y107Q49-C82 PolarHBondContact O-N 3.19Å; S50-C82 CarbonylContact C-O 3.48Å; S50-C82 VanDerWaalsContact CA-O 3.32Å; S50-C82 WeakPolarHBondContact CA-O 3.22Å; L51-C82 PolarHBondContact N-O 2.87Å; L80-C82 WeakPolarHBondContact CD1-O 3.46Å; C82-Y107 VanDerWaalsContact CA-O 3.31Å; C82-Y107 WeakPolarHBondContact CA-O 3.44Å; C82-Y107 HydrophobicContact CB-CD2 4.49Å
83I95.2Very high92.4Very high0 Ų040.4 Ų40.40%022%0.219CC..EExtended strand (participates in β ladder)trans-145.9143.6172.4-168.4171.1000110.1L51 L68 L80 L85 L98 L105 Y107 L108 T109L51-I83 HydrophobicContact CB-CD1 4.49Å; L51-I83 HydrophobicContact CB-CG1 4.2Å; L51-I83 HydrophobicContact CD2-CD1 3.81Å; L51-I83 HydrophobicContact CD2-CG1 4.3Å; L68-I83 HydrophobicContact CD1-CD1 4.5Å; L80-I83 HydrophobicContact CD2-CB 4.26Å; L80-I83 HydrophobicContact CD2-CD1 4.26Å; L80-I83 HydrophobicContact CD2-CG2 4.48Å; I83-L85 HydrophobicContact CD1-CD2 3.75Å; I83-L85 HydrophobicContact CG1-CD2 3.96Å; I83-L85 HydrophobicContact CG1-CG 4.45Å; I83-L98 HydrophobicContact CD1-CD1 4.44Å; I83-L98 HydrophobicContact CD1-CD2 4.01Å; I83-L98 HydrophobicContact CG2-CD1 4.18Å; I83-L98 HydrophobicContact CG2-CD2 4.35Å; I83-L105 HydrophobicContact CB-CD1 4.4Å; I83-L105 HydrophobicContact CG2-CD1 3.76Å; I83-L105 HydrophobicContact CG2-CD2 4.14Å; I83-Y107 PolarHBondContact N-O 2.87Å; I83-L108 HydrophobicContact CG2-CD1 3.51Å; I83-L108 WeakPolarHBondContact O-CA 3.37Å; I83-T109 PolarHBondContact O-N 3.45Å; I83-T109 VanDerWaalsContact O-N 3.08Å
84E93Very high92.6Very high41 Ų4136.5 Ų36.519%0.19220%0.2CC..EExtended strand (participates in β ladder)trans-119127.8174.5-62167.3-162.500107.7R54 N493R54-E84 IonicContact CZ-OE2 3.32Å; R54-E84 IonicContact NE-OE2 3.51Å; R54-E84 PolarHBondContact NE-OE2 2.94Å; R54-E84 IonicContact NH2-OE1 2.76Å; R54-E84 IonicContact NH2-OE2 3.65Å; R54-E84 PolarHBondContact NH2-OE2 2.91Å; E84-N493 PolarHBondContact OE1-ND2 3.06Å; E84-N493 PolarHBondContact OE2-ND2 3.23Å; E84-N493 VanDerWaalsContact OE2-ND2 3.07Å
85L93.7Very high93.1Very high2 Ų231.1 Ų31.11%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-118.1124.1-179.9-59.5-179.5000109.3L53 L68 I83 L89 V90 V94 L95 L98 L108 T109 L110 D111L53-L85 HydrophobicContact CD1-CD2 3.95Å; L68-L85 HydrophobicContact CD2-CD2 3.91Å; I83-L85 HydrophobicContact CD1-CD2 3.75Å; I83-L85 HydrophobicContact CG1-CD2 3.96Å; I83-L85 HydrophobicContact CG1-CG 4.45Å; L85-L89 HydrophobicContact CB-CB 4.45Å; L85-L89 HydrophobicContact CD2-CB 4.25Å; L85-V90 HydrophobicContact CB-CG2 3.76Å; L85-V90 HydrophobicContact CD1-CG2 4.37Å; L85-V94 HydrophobicContact CD1-CG1 3.93Å; L85-V94 HydrophobicContact CD2-CG1 4.35Å; L85-L95 HydrophobicContact CD1-CD2 4.32Å; L85-L98 HydrophobicContact CD1-CD1 4Å; L85-L108 HydrophobicContact CD1-CD1 4.45Å; L85-T109 PolarHBondContact N-O 2.76Å; L85-L110 HydrophobicContact CB-CD2 4.32Å; L85-L110 HydrophobicContact CD1-CD2 3.99Å; L85-D111 PolarHBondContact O-N 3.44Å
86S91.4Very high93.4Very high53 Ų5331.3 Ų31.337%0.37118%0.178SC..EExtended strand (participates in β ladder)trans-69.1158.2162.358.50000110.2D88 L89 V90S86-D88 VanDerWaalsContact C-N 3.26Å; S86-D88 PolarHBondContact O-N 2.81Å; S86-D88 VanDerWaalsContact O-N 3.16Å; S86-L89 WeakPolarHBondContact O-CA 3.3Å; S86-L89 PolarHBondContact O-N 2.83Å; S86-V90 WeakPolarHBondContact O-CG2 3.24Å; S86-V90 PolarHBondContact O-N 2.97Å
87S91.5Very high93.8Very high23 Ų2332.7 Ų32.716%0.16119%0.185CC..G310 helixtrans-45.8-46.4-179.252.20000113.7L89 V90 D111S87-L89 PolarHBondContact O-N 3.04Å; S87-L89 VanDerWaalsContact O-N 3.17Å; S87-V90 PolarHBondContact O-N 3.47Å; S87-D111 WeakPolarHBondContact CA-O 3.1Å; S87-D111 WeakPolarHBondContact CB-O 3.47Å; S87-D111 PolarHBondContact N-O 3.46Å
88D91.3Very high94.3Very high127 Ų12732 Ų3268%0.67918%0.178SC*.G310 helixtrans-62.1-22.7180-64-27000114S86S86-D88 VanDerWaalsContact C-N 3.26Å; S86-D88 PolarHBondContact O-N 2.81Å; S86-D88 VanDerWaalsContact O-N 3.16Å
89L92.9Very high94.6Very high22 Ų2229.9 Ų29.912%0.11517%0.166CC..G310 helixtrans-96-11.6178.2-62.4176.7000112.6L53 L68 L85 S86 S87 T91L53-L89 HydrophobicContact CD1-CD1 3.72Å; L68-L89 HydrophobicContact CD2-CB 4.29Å; L68-L89 HydrophobicContact CD2-CD1 4.43Å; L68-L89 HydrophobicContact CD2-CD2 4.34Å; L85-L89 HydrophobicContact CB-CB 4.45Å; L85-L89 HydrophobicContact CD2-CB 4.25Å; S86-L89 WeakPolarHBondContact O-CA 3.3Å; S86-L89 PolarHBondContact O-N 2.83Å; S87-L89 PolarHBondContact O-N 3.04Å; S87-L89 VanDerWaalsContact O-N 3.17Å; L89-T91 PolarHBondContact O-N 2.81Å
90V94.2Very high94.9Very high1 Ų134.5 Ų34.51%0.00619%0.189CC..  trans-80.289.5175.7-170.10000109.3L85 S86 S87 L95 L110 F112 F121L85-V90 HydrophobicContact CB-CG2 3.76Å; L85-V90 HydrophobicContact CD1-CG2 4.37Å; S86-V90 WeakPolarHBondContact O-CG2 3.24Å; S86-V90 PolarHBondContact O-N 2.97Å; S87-V90 PolarHBondContact O-N 3.47Å; V90-L95 HydrophobicContact CG1-CD1 4.03Å; V90-L95 HydrophobicContact CG1-CD2 4.24Å; V90-L95 HydrophobicContact CG1-CG 4.32Å; V90-L110 HydrophobicContact CG1-CD2 4.25Å; V90-L110 HydrophobicContact CG2-CB 4.42Å; V90-L110 HydrophobicContact CG2-CD2 3.93Å; V90-F112 HydrophobicContact CB-CE1 4.03Å; V90-F112 HydrophobicContact CB-CZ 3.99Å; V90-F112 HydrophobicContact CG1-CE1 4.13Å; V90-F112 HydrophobicContact CG1-CZ 3.67Å; V90-F112 HydrophobicContact CG2-CE1 4.27Å; V90-F112 HydrophobicContact CG2-CZ 4.06Å; V90-F121 HydrophobicContact CG1-CZ 4.07Å; V90-F121 WeakPolarHBondContact O-CZ 3.36Å
91T94.8Very high94.9Very high11 Ų1140 Ų407%0.06721%0.21CC..  trans-131.9159.7-179.162.20000111.1I65 L89 V94 L95I65-T91 HydrophobicContact CD1-CG2 3.74Å; I65-T91 HydrophobicContact CG1-CG2 4.47Å; L89-T91 PolarHBondContact O-N 2.81Å; T91-V94 PolarHBondContact O-N 2.91Å; T91-V94 WeakPolarHBondContact OG1-CG2 3.35Å; T91-L95 WeakPolarHBondContact O-CG 3.36Å; T91-L95 PolarHBondContact O-N 3.28Å
92I96.8Very high94.9Very high37 Ų3734.9 Ų34.919%0.1919%0.191CC..Hα-helixtrans-51.3-52.6179.2-66.7171.5000111.7V94 L95 E96 D120 F121 E123 L124I92-V94 VanDerWaalsContact C-N 3.28Å; I92-V94 PolarHBondContact O-N 3.24Å; I92-L95 PolarHBondContact O-N 2.93Å; I92-E96 HydrophobicContact CG2-CG 4.07Å; I92-E96 WeakPolarHBondContact O-CG 3.37Å; I92-E96 PolarHBondContact O-N 3.25Å; I92-D120 WeakPolarHBondContact CD1-O 3.37Å; I92-F121 HydrophobicContact CG1-CD1 3.74Å; I92-F121 HydrophobicContact CG1-CE1 4.2Å; I92-E123 HydrophobicContact CD1-CB 4.21Å; I92-L124 HydrophobicContact CG1-CB 4.39Å; I92-L124 HydrophobicContact CG1-CD1 4.5Å; I92-L124 HydrophobicContact CG2-CD1 4.17Å
93P96.5Very high94.8Very high65 Ų6537.2 Ų37.242%0.42221%0.205SC..Hα-helixtrans-59.6-38-177.1-24.935.7000113.3L69 E97L69-P93 HydrophobicContact CD1-CB 4.18Å; P93-E97 VanDerWaalsContact O-CB 3.26Å; P93-E97 WeakPolarHBondContact O-CB 3.35Å; P93-E97 PolarHBondContact O-N 3.06Å
94V96.4Very high94.7Very high0 Ų040.7 Ų40.70%022%0.224CC..Hα-helixtrans-68.7-47.8179.4175.40000110.7I65 L68 L69 L85 T91 I92 E96 E97 L98I65-V94 HydrophobicContact CG2-CG2 3.79Å; L68-V94 HydrophobicContact CD2-CB 4.47Å; L68-V94 HydrophobicContact CD2-CG1 3.63Å; L68-V94 HydrophobicContact CD2-CG2 3.93Å; L68-V94 HydrophobicContact CG-CG1 4.45Å; L69-V94 HydrophobicContact CD2-CG2 4.34Å; L85-V94 HydrophobicContact CD1-CG1 3.93Å; L85-V94 HydrophobicContact CD2-CG1 4.35Å; T91-V94 PolarHBondContact O-N 2.91Å; T91-V94 WeakPolarHBondContact OG1-CG2 3.35Å; I92-V94 VanDerWaalsContact C-N 3.28Å; I92-V94 PolarHBondContact O-N 3.24Å; V94-E96 VanDerWaalsContact C-N 3.34Å; V94-E96 PolarHBondContact O-N 3.47Å; V94-E97 PolarHBondContact O-N 3.15Å; V94-L98 HydrophobicContact CG1-CD1 4.28Å; V94-L98 VanDerWaalsContact O-CG 3.3Å; V94-L98 WeakPolarHBondContact O-CG 3.47Å; V94-L98 PolarHBondContact O-N 3.25Å
95L96.9Very high94.9Very high0 Ų038.8 Ų38.80%022%0.215CC..Hα-helixtrans-63.8-40.3-179.6-67.2-175.7000112.1L85 V90 T91 I92 L98 G99 L110 F121 L124 F127 L147L85-L95 HydrophobicContact CD1-CD2 4.32Å; V90-L95 HydrophobicContact CG1-CD1 4.03Å; V90-L95 HydrophobicContact CG1-CD2 4.24Å; V90-L95 HydrophobicContact CG1-CG 4.32Å; T91-L95 WeakPolarHBondContact O-CG 3.36Å; T91-L95 PolarHBondContact O-N 3.28Å; I92-L95 PolarHBondContact O-N 2.93Å; L95-L98 PolarHBondContact O-N 3.36Å; L95-G99 PolarHBondContact O-N 3.28Å; L95-L110 HydrophobicContact CD2-CD2 4.34Å; L95-F121 HydrophobicContact CD1-CD1 4.15Å; L95-F121 HydrophobicContact CD1-CE1 3.67Å; L95-F121 HydrophobicContact CD1-CZ 4.46Å; L95-L124 HydrophobicContact CB-CD1 3.85Å; L95-L124 HydrophobicContact CD1-CD1 4.38Å; L95-L124 HydrophobicContact CD1-CD2 4Å; L95-F127 HydrophobicContact CB-CD2 4.39Å; L95-F127 HydrophobicContact CD1-CD2 4.33Å; L95-F127 HydrophobicContact CD1-CE2 4.4Å; L95-F127 HydrophobicContact CD2-CD2 4.25Å; L95-F127 HydrophobicContact CD2-CE2 3.95Å; L95-L147 HydrophobicContact CD1-CD1 3.82Å
96E97.2Very high95Very high49 Ų4943.5 Ų43.523%0.22923%0.232CC..Hα-helixtrans-68.1-41176.2-68.2-173158.200112.2I92 V94 L98 G99 N100 L124 A125I92-E96 HydrophobicContact CG2-CG 4.07Å; I92-E96 WeakPolarHBondContact O-CG 3.37Å; I92-E96 PolarHBondContact O-N 3.25Å; V94-E96 VanDerWaalsContact C-N 3.34Å; V94-E96 PolarHBondContact O-N 3.47Å; E96-L98 VanDerWaalsContact C-N 3.32Å; E96-L98 PolarHBondContact O-N 3.49Å; E96-G99 PolarHBondContact O-N 2.8Å; E96-N100 VanDerWaalsContact O-CB 3.24Å; E96-N100 WeakPolarHBondContact O-CB 3.39Å; E96-N100 PolarHBondContact O-N 3.22Å; E96-N100 PolarHBondContact O-ND2 3.32Å; E96-N100 VanDerWaalsContact O-ND2 3.08Å; E96-L124 HydrophobicContact CG-CD1 3.71Å; E96-A125 WeakPolarHBondContact OE1-CB 3.49Å; E96-A125 PolarHBondContact OE1-N 2.9Å
97E96.8Very high95.3Very high30 Ų3046.5 Ų46.514%0.1424%0.236CC..Hα-helixtrans-63.4-40176.4-172.370.8-178.400111L69 I72 H73 P93 V94 R101L69-E97 HydrophobicContact CD2-CB 3.57Å; L69-E97 HydrophobicContact CD2-CG 3.82Å; I72-E97 HydrophobicContact CB-CG 4.26Å; I72-E97 HydrophobicContact CG2-CG 3.79Å; H73-E97 IonicContact CG-OE1 3.98Å; H73-E97 IonicContact ND1-OE1 3.28Å; H73-E97 PolarHBondContact ND1-OE1 2.96Å; P93-E97 VanDerWaalsContact O-CB 3.26Å; P93-E97 WeakPolarHBondContact O-CB 3.35Å; P93-E97 PolarHBondContact O-N 3.06Å; V94-E97 PolarHBondContact O-N 3.15Å; E97-R101 WeakPolarHBondContact O-CB 3.24Å; E97-R101 PolarHBondContact O-N 3.2Å; E97-R101 WeakPolarHBondContact OE1-CD 3.39Å; E97-R101 IonicContact OE1-CZ 3.78Å; E97-R101 IonicContact OE1-NE 2.68Å; E97-R101 PolarHBondContact OE1-NE 2.78Å; E97-R101 IonicContact OE2-NE 3.42Å; E97-R101 PolarHBondContact OE2-NE 2.87Å
98L96.8Very high95.6Very high0 Ų045.4 Ų45.40%023%0.229CC..Hα-helixtrans-61.8-48172.1-69.3175.8000111.3I72 L80 I83 L85 V94 L95 E96 N100 C102 L108 P128I72-L98 HydrophobicContact CD1-CD2 3.71Å; I72-L98 HydrophobicContact CD1-CG 4.14Å; I72-L98 HydrophobicContact CG1-CD2 4.28Å; L80-L98 HydrophobicContact CD2-CD2 3.64Å; I83-L98 HydrophobicContact CD1-CD1 4.44Å; I83-L98 HydrophobicContact CD1-CD2 4.01Å; I83-L98 HydrophobicContact CG2-CD1 4.18Å; I83-L98 HydrophobicContact CG2-CD2 4.35Å; L85-L98 HydrophobicContact CD1-CD1 4Å; V94-L98 HydrophobicContact CG1-CD1 4.28Å; V94-L98 VanDerWaalsContact O-CG 3.3Å; V94-L98 WeakPolarHBondContact O-CG 3.47Å; V94-L98 PolarHBondContact O-N 3.25Å; L95-L98 PolarHBondContact O-N 3.36Å; E96-L98 VanDerWaalsContact C-N 3.32Å; E96-L98 PolarHBondContact O-N 3.49Å; L98-N100 VanDerWaalsContact C-N 3.33Å; L98-N100 PolarHBondContact O-N 2.66Å; L98-C102 WeakPolarHBondContact O-CA 3.28Å; L98-C102 VanDerWaalsContact O-CB 3.22Å; L98-C102 WeakPolarHBondContact O-CB 3.3Å; L98-C102 PolarHBondContact O-N 3Å; L98-L108 HydrophobicContact CD1-CD1 4.5Å; L98-P128 HydrophobicContact CB-CG 3.68Å
99G95.9Very high95.8Very high21 Ų2140 Ų4022%0.21620%0.201CC..Hα-helixtrans-61.2-40.5179.300000113L95 E96L95-G99 PolarHBondContact O-N 3.28Å; E96-G99 PolarHBondContact O-N 2.8Å
100N95.8Very high95.9Very high106 Ų10639 Ų3957%0.56720%0.195SC*.Hα-helixtrans-84.1-30.1-174.1-66.1-27.3000113.7E96 L98 S126E96-N100 VanDerWaalsContact O-CB 3.24Å; E96-N100 WeakPolarHBondContact O-CB 3.39Å; E96-N100 PolarHBondContact O-N 3.22Å; E96-N100 PolarHBondContact O-ND2 3.32Å; E96-N100 VanDerWaalsContact O-ND2 3.08Å; L98-N100 VanDerWaalsContact C-N 3.33Å; L98-N100 PolarHBondContact O-N 2.66Å; N100-S126 WeakPolarHBondContact OD1-CB 3.38Å; N100-S126 PolarHBondContact OD1-OG 3.08Å
101R94.6Very high95.9Very high115 Ų11541.3 Ų41.343%0.43421%0.208SC..Hα-helixtrans-115-14.9-172.7-57.8-148.7-167.2-97.3-5.5115.6H73 G77 S78 E97 P103H73-R101 PolarHBondContact CE1-NH2 2.77Å; H73-R101 PolarHBondContact ND1-NE 2.68Å; H73-R101 VanDerWaalsContact ND1-NE 3.15Å; G77-R101 CarbonylContact C-O 3.6Å; S78-R101 WeakPolarHBondContact CA-O 3.44Å; S78-R101 PolarHBondContact N-O 3.42Å; S78-R101 VanDerWaalsContact N-O 3.16Å; E97-R101 WeakPolarHBondContact O-CB 3.24Å; E97-R101 PolarHBondContact O-N 3.2Å; E97-R101 WeakPolarHBondContact OE1-CD 3.39Å; E97-R101 IonicContact OE1-CZ 3.78Å; E97-R101 IonicContact OE1-NE 2.68Å; E97-R101 PolarHBondContact OE1-NE 2.78Å; E97-R101 IonicContact OE2-NE 3.42Å; E97-R101 PolarHBondContact OE2-NE 2.87Å; R101-P103 WeakPolarHBondContact O-CD 3.31Å
102C95.4Very high95.8Very high1 Ų141 Ų411%0.00721%0.205CC..  trans-114.360.8-174.6-51.80000111.8G77 L80 L98 N104 L105G77-C102 PolarHBondContact O-SG 2.91Å; G77-C102 VanDerWaalsContact O-SG 3.35Å; L80-C102 HydrophobicContact CB-CB 4.17Å; L80-C102 HydrophobicContact CD2-CB 4.3Å; L98-C102 WeakPolarHBondContact O-CA 3.28Å; L98-C102 VanDerWaalsContact O-CB 3.22Å; L98-C102 WeakPolarHBondContact O-CB 3.3Å; L98-C102 PolarHBondContact O-N 3Å; C102-N104 PolarHBondContact O-N 3.2Å; C102-L105 HydrophobicContact CB-CB 4.07Å; C102-L105 VanDerWaalsContact O-CB 3.27Å; C102-L105 WeakPolarHBondContact O-CB 3.49Å; C102-L105 PolarHBondContact O-N 3.03Å
103P93.6Very high95.5Very high77 Ų7740.6 Ų40.650%0.521%0.206SC..THydrogen-bonded Turntrans-64.8-13.5-177.429-37.8000113.7R101 S130R101-P103 WeakPolarHBondContact O-CD 3.31Å; P103-S130 WeakPolarHBondContact O-CB 3.4Å; P103-S130 PolarHBondContact O-OG 2.74Å
104N94.3Very high95.2Very high74 Ų7443.6 Ų43.640%0.39622%0.218SC..THydrogen-bonded Turntrans-98.47.9176.7-67.4-55.2000113.4S78 L80 C102 R106S78-N104 WeakPolarHBondContact O-CB 3.31Å; S78-N104 PolarHBondContact O-ND2 3Å; L80-N104 CarbonylContact O-C 3.58Å; C102-N104 PolarHBondContact O-N 3.2Å; N104-R106 PolarHBondContact O-N 3.08Å
105L96.6Very high94.9Very high0 Ų043.9 Ų43.90%022%0.221CC..  trans-66.4117.7179-173.671.1000110.1L80 I83 C102 L108 P128 S130 I131L80-L105 HydrophobicContact CD2-CD1 4.09Å; L80-L105 HydrophobicContact CG-CD1 3.91Å; L80-L105 WeakPolarHBondContact O-CA 3.06Å; L80-L105 PolarHBondContact O-N 3.01Å; I83-L105 HydrophobicContact CB-CD1 4.4Å; I83-L105 HydrophobicContact CG2-CD1 3.76Å; I83-L105 HydrophobicContact CG2-CD2 4.14Å; C102-L105 HydrophobicContact CB-CB 4.07Å; C102-L105 VanDerWaalsContact O-CB 3.27Å; C102-L105 WeakPolarHBondContact O-CB 3.49Å; C102-L105 PolarHBondContact O-N 3.03Å; L105-L108 HydrophobicContact CD2-CB 4.47Å; L105-P128 HydrophobicContact CB-CB 4.47Å; L105-P128 HydrophobicContact CD2-CB 3.81Å; L105-P128 HydrophobicContact CD2-CG 3.66Å; L105-S130 CarbonylContact O-C 3.19Å; L105-S130 VanDerWaalsContact O-C 3.31Å; L105-S130 PolarHBondContact O-OG 3.17Å; L105-S130 VanDerWaalsContact O-OG 3.14Å; L105-I131 PolarHBondContact O-N 2.64Å
106R96.4Very high94.5Very high101 Ų10151 Ų5138%0.38126%0.256SS..  trans-114.5-27.9-175.5-72.8178.2-173.6178.11.9113.6R81 N104 K132 Y133R81-R106 PolarHBondContact O-N 3.12Å; N104-R106 PolarHBondContact O-N 3.08Å; R106-K132 PolarHBondContact O-N 3.07Å; R106-Y133 PolarHBondContact O-N 3.28Å
107Y96.9Very high94.1Very high116 Ų11656.6 Ų56.646%0.45528%0.282SS..EExtended strand (participates in β ladder)trans-122117.1-177.7-59.2-97.7000108.5R81 C82 I83 Y133R81-Y107 PolarHBondContact O-N 3.27Å; C82-Y107 VanDerWaalsContact CA-O 3.31Å; C82-Y107 WeakPolarHBondContact CA-O 3.44Å; C82-Y107 HydrophobicContact CB-CD2 4.49Å; I83-Y107 PolarHBondContact N-O 2.87Å; Y107-Y133 WeakPolarHBondContact CA-O 3.39Å; Y107-Y133 AromaticContact CD1-CD1 3.86Å; Y107-Y133 HydrophobicContact CD1-CD1 3.86Å; Y107-Y133 HydrophobicContact CD1-CD2 4.11Å; Y107-Y133 AromaticContact CD1-CG 3.51Å; Y107-Y133 HydrophobicContact CD1-CG 3.51Å; Y107-Y133 HydrophobicContact CE1-CD2 4.26Å; Y107-Y133 HydrophobicContact CE1-CG 4.03Å; Y107-Y133 HydrophobicContact CG-CG 4.47Å
108L96.8Very high93.7Very high0 Ų057.3 Ų57.30%029%0.287CS..EExtended strand (participates in β ladder)trans-129.8126.7177177.862000109.2I83 L85 L98 L105 L110 F127 I131 Y133 L134 C135I83-L108 HydrophobicContact CG2-CD1 3.51Å; I83-L108 WeakPolarHBondContact O-CA 3.37Å; L85-L108 HydrophobicContact CD1-CD1 4.45Å; L98-L108 HydrophobicContact CD1-CD1 4.5Å; L105-L108 HydrophobicContact CD2-CB 4.47Å; L108-L110 HydrophobicContact CD1-CD2 3.9Å; L108-L110 HydrophobicContact CD2-CD2 4.09Å; L108-L110 HydrophobicContact CD2-CG 4.31Å; L108-L110 HydrophobicContact CG-CD2 3.99Å; L108-L110 HydrophobicContact CG-CG 4.19Å; L108-F127 HydrophobicContact CD2-CE1 4.4Å; L108-F127 HydrophobicContact CD2-CE2 4.05Å; L108-F127 HydrophobicContact CD2-CZ 3.57Å; L108-I131 HydrophobicContact CB-CD1 4.01Å; L108-I131 HydrophobicContact CB-CG1 4.48Å; L108-I131 HydrophobicContact CB-CG2 4.44Å; L108-I131 HydrophobicContact CD2-CD1 3.55Å; L108-I131 HydrophobicContact CG-CD1 4.44Å; L108-Y133 PolarHBondContact N-O 3.39Å; L108-L134 HydrophobicContact CB-CD1 4.26Å; L108-L134 HydrophobicContact CD2-CD1 4.23Å; L108-L134 HydrophobicContact CG-CD1 4.26Å; L108-L134 WeakPolarHBondContact O-CA 3.11Å; L108-C135 PolarHBondContact O-N 2.53Å
109T95.9Very high93.1Very high14 Ų1462.4 Ų62.49%0.08631%0.31CS..EExtended strand (participates in β ladder)trans-112128.9167.5-58.80000109.2I83 L85 C135I83-T109 PolarHBondContact O-N 3.45Å; I83-T109 VanDerWaalsContact O-N 3.08Å; L85-T109 PolarHBondContact N-O 2.76Å; T109-C135 CarbonylContact C-O 3.6Å; T109-C135 VanDerWaalsContact CA-O 3.31Å; T109-C135 WeakPolarHBondContact CA-O 3.35Å; T109-C135 HydrophobicContact CG2-CB 4.02Å
110L95.5Very high92.9Very high0 Ų066.4 Ų66.40%033%0.327CS..EExtended strand (participates in β ladder)trans-114.7107.2171.1-54.3179.1000107.7L85 V90 L95 L108 F112 C135 I136 C137 L147L85-L110 HydrophobicContact CB-CD2 4.32Å; L85-L110 HydrophobicContact CD1-CD2 3.99Å; V90-L110 HydrophobicContact CG1-CD2 4.25Å; V90-L110 HydrophobicContact CG2-CB 4.42Å; V90-L110 HydrophobicContact CG2-CD2 3.93Å; L95-L110 HydrophobicContact CD2-CD2 4.34Å; L108-L110 HydrophobicContact CD1-CD2 3.9Å; L108-L110 HydrophobicContact CD2-CD2 4.09Å; L108-L110 HydrophobicContact CD2-CG 4.31Å; L108-L110 HydrophobicContact CG-CD2 3.99Å; L108-L110 HydrophobicContact CG-CG 4.19Å; L110-F112 HydrophobicContact CB-CD2 4.24Å; L110-F112 HydrophobicContact CB-CE2 3.56Å; L110-F112 HydrophobicContact CB-CZ 4.3Å; L110-F112 HydrophobicContact CD1-CE2 4.36Å; L110-C135 PolarHBondContact N-O 3.24Å; L110-I136 WeakPolarHBondContact O-CA 3.41Å; L110-C137 PolarHBondContact O-N 3.07Å; L110-L147 HydrophobicContact CD1-CD2 4.37Å
111D93.6Very high92.9Very high51 Ų5161.4 Ų61.427%0.27330%0.3SS..EExtended strand (participates in β ladder)trans-99.9103.2-174.8-177.74.4000111.1L85 S87 S113 C137L85-D111 PolarHBondContact O-N 3.44Å; S87-D111 WeakPolarHBondContact CA-O 3.1Å; S87-D111 WeakPolarHBondContact CB-O 3.47Å; S87-D111 PolarHBondContact N-O 3.46Å; D111-S113 VanDerWaalsContact OD1-CB 3.24Å; D111-S113 WeakPolarHBondContact OD1-CB 3.47Å; D111-S113 PolarHBondContact OD1-N 2.88Å; D111-S113 PolarHBondContact OD1-OG 3.28Å; D111-C137 HydrophobicContact CB-CB 4.34Å; D111-C137 VanDerWaalsContact OD1-CB 3.28Å; D111-C137 WeakPolarHBondContact OD1-CB 3.46Å
112F93.8Very high92.8Very high3 Ų360.1 Ų60.11%0.01330%0.301CS..  trans-104.611.8174.7-56.8-86.4000113.3V90 L110 N114 A115 L118 I136 C137 S139 I142 M144 L147V90-F112 HydrophobicContact CB-CE1 4.03Å; V90-F112 HydrophobicContact CB-CZ 3.99Å; V90-F112 HydrophobicContact CG1-CE1 4.13Å; V90-F112 HydrophobicContact CG1-CZ 3.67Å; V90-F112 HydrophobicContact CG2-CE1 4.27Å; V90-F112 HydrophobicContact CG2-CZ 4.06Å; L110-F112 HydrophobicContact CB-CD2 4.24Å; L110-F112 HydrophobicContact CB-CE2 3.56Å; L110-F112 HydrophobicContact CB-CZ 4.3Å; L110-F112 HydrophobicContact CD1-CE2 4.36Å; F112-N114 PolarHBondContact O-N 2.87Å; F112-N114 VanDerWaalsContact O-N 3.08Å; F112-A115 HydrophobicContact CB-CB 4Å; F112-A115 HydrophobicContact CD1-CB 4.24Å; F112-A115 VanDerWaalsContact O-CB 3.31Å; F112-A115 WeakPolarHBondContact O-CB 3.32Å; F112-A115 PolarHBondContact O-N 2.87Å; F112-L118 HydrophobicContact CD1-CD1 3.9Å; F112-L118 HydrophobicContact CE1-CD1 3.39Å; F112-L118 HydrophobicContact CZ-CD1 4.06Å; F112-I136 HydrophobicContact CD2-CG2 4.05Å; F112-I136 HydrophobicContact CE2-CG2 4.3Å; F112-C137 CarbonylContact C-O 3.55Å; F112-C137 VanDerWaalsContact CA-O 3.32Å; F112-C137 WeakPolarHBondContact CA-O 3.3Å; F112-C137 VanDerWaalsContact CB-O 3.27Å; F112-C137 WeakPolarHBondContact CB-O 3.41Å; F112-C137 PolarHBondContact N-O 2.82Å; F112-S139 WeakPolarHBondContact O-CB 3.39Å; F112-I142 HydrophobicContact CB-CD1 3.65Å; F112-I142 HydrophobicContact CD1-CD1 3.89Å; F112-I142 HydrophobicContact CG-CD1 3.96Å; F112-M144 HydrophobicContact CD2-CE 3.55Å; F112-M144 HydrophobicContact CD2-SD 4.1Å; F112-M144 HydrophobicContact CE1-CE 4.26Å; F112-M144 HydrophobicContact CE2-CE 3.19Å; F112-M144 HydrophobicContact CE2-SD 4.25Å; F112-M144 HydrophobicContact CG-CE 4.19Å; F112-M144 HydrophobicContact CG-SD 4.22Å; F112-M144 HydrophobicContact CZ-CE 3.58Å; F112-L147 HydrophobicContact CE2-CD2 4.21Å; F112-L147 HydrophobicContact CZ-CD2 3.77Å
113S91Very high92.7Very high29 Ų2967.9 Ų67.920%0.20334%0.338CS..THydrogen-bonded Turntrans-53.6-34.4-174.955.60000114D111D111-S113 VanDerWaalsContact OD1-CB 3.24Å; D111-S113 WeakPolarHBondContact OD1-CB 3.47Å; D111-S113 PolarHBondContact OD1-N 2.88Å; D111-S113 PolarHBondContact OD1-OG 3.28Å
114N88.4Confident92.9Very high128 Ų12864.8 Ų64.868%0.68432%0.317SS*.THydrogen-bonded Turntrans-104.39.3179.4-61.6-64.9000113.6F112F112-N114 PolarHBondContact O-N 2.87Å; F112-N114 VanDerWaalsContact O-N 3.08Å
115A90Very high92.9Very high6 Ų665.5 Ų65.55%0.0533%0.333CS..  trans-80.6122.9-174.800000111.1F112 S139 V141 I142F112-A115 HydrophobicContact CB-CB 4Å; F112-A115 HydrophobicContact CD1-CB 4.24Å; F112-A115 VanDerWaalsContact O-CB 3.31Å; F112-A115 WeakPolarHBondContact O-CB 3.32Å; F112-A115 PolarHBondContact O-N 2.87Å; A115-S139 PolarHBondContact O-OG 2.6Å; A115-V141 VanDerWaalsContact O-CG2 3.28Å; A115-V141 WeakPolarHBondContact O-CG2 3.21Å; A115-I142 HydrophobicContact CB-CD1 3.92Å; A115-I142 WeakPolarHBondContact O-CG2 3.31Å
116M89.7Confident92.9Very high150 Ų15066.7 Ų66.774%0.73934%0.342SS*.SBendtrans-88-16.7174.9-63.4-58.7-60.400113.5V141M116-V141 HydrophobicContact CE-CG2 4.41Å; M116-V141 HydrophobicContact SD-CG2 4.27Å
117Q89Confident92.9Very high167 Ų16762.5 Ų62.578%0.7833%0.326SS*.SBendtrans-152.3153-178.261.3-176.1-000109.5
118L87.1Confident92.8Very high45 Ų4557 Ų5724%0.23631%0.305CS..  trans-110.9137176.5-17065.6000109.8F112 F121 I142 F143 M144 L147F112-L118 HydrophobicContact CD1-CD1 3.9Å; F112-L118 HydrophobicContact CE1-CD1 3.39Å; F112-L118 HydrophobicContact CZ-CD1 4.06Å; L118-F121 HydrophobicContact CD1-CE2 3.74Å; L118-F121 HydrophobicContact CG-CD2 4.26Å; L118-F121 HydrophobicContact CG-CE2 3.9Å; L118-I142 HydrophobicContact CB-CB 4.47Å; L118-I142 HydrophobicContact CB-CD1 4.48Å; L118-I142 HydrophobicContact CD1-CD1 4.31Å; L118-F143 WeakPolarHBondContact CD2-O 3.4Å; L118-M144 HydrophobicContact CD1-SD 4.24Å; L118-M144 HydrophobicContact CD2-SD 3.98Å; L118-L147 HydrophobicContact CD2-CB 4.34Å
119H85.3Confident92.6Very high106 Ų10660.8 Ų60.849%0.49133%0.331SS..  trans-58.8152.4170.3-71.9-69.9000111.3F121H119-F121 HydrophobicContact CB-CD2 4.46Å; H119-F121 HydrophobicContact CB-CE2 3.85Å; H119-F121 HydrophobicContact CB-CZ 4.02Å; H119-F121 WeakPolarHBondContact O-CD2 3.38Å; H119-F121 WeakPolarHBondContact O-CE2 3.27Å; H119-F121 PolarHBondContact O-N 2.99Å
120D91.2Very high92.5Very high106 Ų10661.9 Ų61.957%0.56734%0.339SS*.  trans-72.4121.9168.5-171.2-2.6000109.6I92 N122I92-D120 WeakPolarHBondContact CD1-O 3.37Å; D120-N122 VanDerWaalsContact CG-ND2 3.32Å; D120-N122 WeakPolarHBondContact OD1-CB 3.33Å; D120-N122 PolarHBondContact OD1-N 2.87Å; D120-N122 PolarHBondContact OD1-ND2 3Å; D120-N122 PolarHBondContact OD2-ND2 3.3Å
121F95.2Very high92.5Very high1 Ų161.9 Ų61.90%0.00434%0.339CS..  trans-105.614177.6-69.4-81.9000113V90 I92 L95 L118 H119 E123 L124 L147 K150V90-F121 HydrophobicContact CG1-CZ 4.07Å; V90-F121 WeakPolarHBondContact O-CZ 3.36Å; I92-F121 HydrophobicContact CG1-CD1 3.74Å; I92-F121 HydrophobicContact CG1-CE1 4.2Å; L95-F121 HydrophobicContact CD1-CD1 4.15Å; L95-F121 HydrophobicContact CD1-CE1 3.67Å; L95-F121 HydrophobicContact CD1-CZ 4.46Å; L118-F121 HydrophobicContact CD1-CE2 3.74Å; L118-F121 HydrophobicContact CG-CD2 4.26Å; L118-F121 HydrophobicContact CG-CE2 3.9Å; H119-F121 HydrophobicContact CB-CD2 4.46Å; H119-F121 HydrophobicContact CB-CE2 3.85Å; H119-F121 HydrophobicContact CB-CZ 4.02Å; H119-F121 WeakPolarHBondContact O-CD2 3.38Å; H119-F121 WeakPolarHBondContact O-CE2 3.27Å; H119-F121 PolarHBondContact O-N 2.99Å; F121-E123 PolarHBondContact O-N 3.13Å; F121-E123 VanDerWaalsContact O-N 3.13Å; F121-L124 HydrophobicContact CB-CB 4.29Å; F121-L124 HydrophobicContact CD1-CB 4.46Å; F121-L124 HydrophobicContact CD1-CD2 4.19Å; F121-L124 VanDerWaalsContact O-CB 3.24Å; F121-L124 WeakPolarHBondContact O-CB 3.45Å; F121-L124 PolarHBondContact O-N 2.94Å; F121-L147 HydrophobicContact CB-CD1 4.32Å; F121-L147 HydrophobicContact CD1-CD1 3.84Å; F121-L147 HydrophobicContact CD2-CB 3.84Å; F121-L147 HydrophobicContact CD2-CD1 4.06Å; F121-L147 HydrophobicContact CD2-CG 4.43Å; F121-L147 HydrophobicContact CE1-CD1 4.13Å; F121-L147 HydrophobicContact CE2-CB 4.33Å; F121-L147 HydrophobicContact CE2-CD1 4.35Å; F121-L147 HydrophobicContact CG-CB 4.23Å; F121-L147 HydrophobicContact CG-CD1 3.8Å; F121-L147 HydrophobicContact CZ-CD1 4.37Å; F121-K150 WeakPolarHBondContact O-CE 3.43Å; F121-K150 WeakPolarHBondContact O-CG 3.49Å
122N92.6Very high92.7Very high87 Ų8763.5 Ų63.547%0.46534%0.344SS..THydrogen-bonded Turntrans-56.6-30.3-179.7-77.7-34.9000113.6D120 K150D120-N122 VanDerWaalsContact CG-ND2 3.32Å; D120-N122 WeakPolarHBondContact OD1-CB 3.33Å; D120-N122 PolarHBondContact OD1-N 2.87Å; D120-N122 PolarHBondContact OD1-ND2 3Å; D120-N122 PolarHBondContact OD2-ND2 3.3Å; N122-K150 WeakPolarHBondContact O-CE 3.45Å; N122-K150 PolarHBondContact O-NZ 2.97Å
123E94.8Very high92.9Very high165 Ų16564.2 Ų64.277%0.77135%0.347SS*.THydrogen-bonded Turntrans-92.5-1.3178.9-62.6-173171.800114I92 F121 A125I92-E123 HydrophobicContact CD1-CB 4.21Å; F121-E123 PolarHBondContact O-N 3.13Å; F121-E123 VanDerWaalsContact O-N 3.13Å; E123-A125 PolarHBondContact O-N 3.27Å; E123-A125 VanDerWaalsContact O-N 3.1Å
124L96.5Very high93.2Very high11 Ų1162.9 Ų62.96%0.05834%0.337CS..  trans-59.7116.8178.3-176.865000110.5I92 L95 E96 F121 S126 L147 K150 I151I92-L124 HydrophobicContact CG1-CB 4.39Å; I92-L124 HydrophobicContact CG1-CD1 4.5Å; I92-L124 HydrophobicContact CG2-CD1 4.17Å; L95-L124 HydrophobicContact CB-CD1 3.85Å; L95-L124 HydrophobicContact CD1-CD1 4.38Å; L95-L124 HydrophobicContact CD1-CD2 4Å; E96-L124 HydrophobicContact CG-CD1 3.71Å; F121-L124 HydrophobicContact CB-CB 4.29Å; F121-L124 HydrophobicContact CD1-CB 4.46Å; F121-L124 HydrophobicContact CD1-CD2 4.19Å; F121-L124 VanDerWaalsContact O-CB 3.24Å; F121-L124 WeakPolarHBondContact O-CB 3.45Å; F121-L124 PolarHBondContact O-N 2.94Å; L124-S126 WeakPolarHBondContact CD1-O 3.31Å; L124-L147 HydrophobicContact CD2-CD1 3.92Å; L124-K150 HydrophobicContact CB-CB 4.32Å; L124-K150 HydrophobicContact CB-CG 4.23Å; L124-K150 HydrophobicContact CD2-CB 3.91Å; L124-K150 HydrophobicContact CG-CB 4.42Å; L124-I151 HydrophobicContact CD2-CG2 4.16Å
125A95Very high93.6Very high89 Ų8956.9 Ų56.974%0.73631%0.305SS*.  trans-105-22-175.400000114E96 E123E96-A125 WeakPolarHBondContact OE1-CB 3.49Å; E96-A125 PolarHBondContact OE1-N 2.9Å; E123-A125 PolarHBondContact O-N 3.27Å; E123-A125 VanDerWaalsContact O-N 3.1Å
126S95.5Very high93.9Very high26 Ų2656.6 Ų56.618%0.18230%0.303CS..  trans-139.7142.1-176.8-173.50000111.5N100 L124N100-S126 WeakPolarHBondContact OD1-CB 3.38Å; N100-S126 PolarHBondContact OD1-OG 3.08Å; L124-S126 WeakPolarHBondContact CD1-O 3.31Å
127F96.9Very high94.2Very high12 Ų1250.3 Ų50.35%0.05327%0.273CS..  trans-147.1149.4175.5-173.6-96.7000109.3L95 L108 S129 I131 I151 C154L95-F127 HydrophobicContact CB-CD2 4.39Å; L95-F127 HydrophobicContact CD1-CD2 4.33Å; L95-F127 HydrophobicContact CD1-CE2 4.4Å; L95-F127 HydrophobicContact CD2-CD2 4.25Å; L95-F127 HydrophobicContact CD2-CE2 3.95Å; L108-F127 HydrophobicContact CD2-CE1 4.4Å; L108-F127 HydrophobicContact CD2-CE2 4.05Å; L108-F127 HydrophobicContact CD2-CZ 3.57Å; F127-S129 PolarHBondContact O-N 3.12Å; F127-I131 HydrophobicContact CD1-CD1 4.37Å; F127-I131 HydrophobicContact CE1-CD1 3.52Å; F127-I131 HydrophobicContact CZ-CD1 3.95Å; F127-I151 HydrophobicContact CB-CG2 3.97Å; F127-I151 HydrophobicContact CD1-CB 3.89Å; F127-I151 HydrophobicContact CD1-CG2 3.82Å; F127-I151 HydrophobicContact CD2-CB 4.31Å; F127-I151 HydrophobicContact CD2-CG2 3.38Å; F127-I151 HydrophobicContact CE1-CB 3.99Å; F127-I151 HydrophobicContact CE1-CD1 4.32Å; F127-I151 HydrophobicContact CE1-CG2 4.1Å; F127-I151 HydrophobicContact CE2-CB 4.42Å; F127-I151 HydrophobicContact CE2-CD1 4.46Å; F127-I151 HydrophobicContact CE2-CG2 3.7Å; F127-I151 HydrophobicContact CG-CB 4.04Å; F127-I151 HydrophobicContact CG-CG2 3.44Å; F127-I151 VanDerWaalsContact CG-CG2 3.44Å; F127-I151 HydrophobicContact CZ-CB 4.26Å; F127-I151 HydrophobicContact CZ-CD1 4.02Å; F127-I151 HydrophobicContact CZ-CG2 4.04Å; F127-C154 HydrophobicContact CD1-CB 3.76Å
128P95.3Very high94.4Very high2 Ų242.6 Ų42.61%0.01324%0.237CC..  trans-62.1125.9-178.6-1829.2000112.2L98 L105 I131L98-P128 HydrophobicContact CB-CG 3.68Å; L105-P128 HydrophobicContact CB-CB 4.47Å; L105-P128 HydrophobicContact CD2-CB 3.81Å; L105-P128 HydrophobicContact CD2-CG 3.66Å; P128-I131 HydrophobicContact CB-CD1 3.89Å; P128-I131 HydrophobicContact CB-CG1 3.91Å; P128-I131 HydrophobicContact CG-CD1 4.41Å; P128-I131 WeakPolarHBondContact O-CD1 3.24Å
129S92.9Very high94.6Very high79 Ų7940.6 Ų40.655%0.55223%0.227SC*.SBendtrans-103.1-5.3-172.757.60000114.8F127F127-S129 PolarHBondContact O-N 3.12Å
130S93.4Very high94.5Very high36 Ų3638.8 Ų38.825%0.25222%0.221SC..  trans-101.810.7-18057.70000114P103 L105 K132P103-S130 WeakPolarHBondContact O-CB 3.4Å; P103-S130 PolarHBondContact O-OG 2.74Å; L105-S130 CarbonylContact O-C 3.19Å; L105-S130 VanDerWaalsContact O-C 3.31Å; L105-S130 PolarHBondContact O-OG 3.17Å; L105-S130 VanDerWaalsContact O-OG 3.14Å; S130-K132 PolarHBondContact O-N 2.83Å
131I96.7Very high94.2Very high1 Ų137.1 Ų37.11%0.00522%0.215CC..  trans-62.5127.8-179.8-59.1171.7000109.3L105 L108 F127 P128 Y133 L134 A157 V158L105-I131 PolarHBondContact O-N 2.64Å; L108-I131 HydrophobicContact CB-CD1 4.01Å; L108-I131 HydrophobicContact CB-CG1 4.48Å; L108-I131 HydrophobicContact CB-CG2 4.44Å; L108-I131 HydrophobicContact CD2-CD1 3.55Å; L108-I131 HydrophobicContact CG-CD1 4.44Å; F127-I131 HydrophobicContact CD1-CD1 4.37Å; F127-I131 HydrophobicContact CE1-CD1 3.52Å; F127-I131 HydrophobicContact CZ-CD1 3.95Å; P128-I131 HydrophobicContact CB-CD1 3.89Å; P128-I131 HydrophobicContact CB-CG1 3.91Å; P128-I131 HydrophobicContact CG-CD1 4.41Å; P128-I131 WeakPolarHBondContact O-CD1 3.24Å; I131-Y133 WeakPolarHBondContact CG2-O 3.33Å; I131-L134 HydrophobicContact CG2-CB 4.06Å; I131-A157 CarbonylContact O-C 3.54Å; I131-V158 HydrophobicContact CG2-CG2 4.41Å; I131-V158 PolarHBondContact O-N 3.4Å
132K97Very high93.8Very high85 Ų8537.3 Ų37.337%0.3722%0.216SC..SBendtrans-103.7-31.7173.9-69.9-170.3166.7-127.40112.4R106 S130 E159 I160R106-K132 PolarHBondContact O-N 3.07Å; S130-K132 PolarHBondContact O-N 2.83Å; K132-E159 IonicContact NZ-OE1 2.76Å; K132-E159 PolarHBondContact NZ-OE1 3.13Å; K132-E159 PolarHBondContact O-N 2.62Å; K132-I160 PolarHBondContact O-N 3.02Å
133Y97.7Very high93.7Very high18 Ų1838.8 Ų38.87%0.07122%0.218CC..EExtended strand (participates in β ladder)trans-121.6116.5178.7177.5-76.1000108R106 Y107 L108 I131 C135 I160 H162 R491 F492R106-Y133 PolarHBondContact O-N 3.28Å; Y107-Y133 WeakPolarHBondContact CA-O 3.39Å; Y107-Y133 AromaticContact CD1-CD1 3.86Å; Y107-Y133 HydrophobicContact CD1-CD1 3.86Å; Y107-Y133 HydrophobicContact CD1-CD2 4.11Å; Y107-Y133 AromaticContact CD1-CG 3.51Å; Y107-Y133 HydrophobicContact CD1-CG 3.51Å; Y107-Y133 HydrophobicContact CE1-CD2 4.26Å; Y107-Y133 HydrophobicContact CE1-CG 4.03Å; Y107-Y133 HydrophobicContact CG-CG 4.47Å; L108-Y133 PolarHBondContact N-O 3.39Å; I131-Y133 WeakPolarHBondContact CG2-O 3.33Å; Y133-C135 HydrophobicContact CE1-CB 3.77Å; Y133-I160 WeakPolarHBondContact CA-O 3.28Å; Y133-I160 HydrophobicContact CD2-CB 3.83Å; Y133-I160 HydrophobicContact CD2-CD1 4.01Å; Y133-I160 HydrophobicContact CD2-CG2 3.5Å; Y133-I160 VanDerWaalsContact CD2-CG2 3.5Å; Y133-I160 HydrophobicContact CE2-CG2 3.73Å; Y133-I160 HydrophobicContact CG-CB 4.47Å; Y133-I160 HydrophobicContact CG-CG2 4.43Å; Y133-H162 AromaticContact CE2-CD2 3.39Å; Y133-H162 WeakPolarHBondContact CE2-CD2 3.38Å; Y133-H162 AromaticContact CE2-NE2 3.31Å; Y133-H162 VanDerWaalsContact CE2-NE2 3.31Å; Y133-H162 WeakPolarHBondContact CE2-NE2 3.4Å; Y133-H162 AromaticContact CZ-CD2 3.35Å; Y133-H162 AromaticContact CZ-NE2 3.63Å; Y133-H162 PolarHBondContact OH-CD2 3.08Å; Y133-H162 VanDerWaalsContact OH-CD2 3.24Å; Y133-H162 PolarHBondContact OH-NE2 3.35Å; Y133-R491 PolarHBondContact OH-O 2.94Å; Y133-F492 WeakPolarHBondContact OH-CA 3.4Å
134L97.4Very high93.6Very high0 Ų030.9 Ų30.90%018%0.181CC..EExtended strand (participates in β ladder)trans-120.3125.3175.3179.159.7000108.9L108 I131 I136 L155 V158 I160 L161 H162L108-L134 HydrophobicContact CB-CD1 4.26Å; L108-L134 HydrophobicContact CD2-CD1 4.23Å; L108-L134 HydrophobicContact CG-CD1 4.26Å; L108-L134 WeakPolarHBondContact O-CA 3.11Å; I131-L134 HydrophobicContact CG2-CB 4.06Å; L134-I136 HydrophobicContact CD1-CG1 4.26Å; L134-I136 HydrophobicContact CD2-CD1 4.19Å; L134-I136 HydrophobicContact CD2-CG1 4.46Å; L134-I136 HydrophobicContact CG-CD1 4.41Å; L134-I136 HydrophobicContact CG-CG1 4.13Å; L134-L155 HydrophobicContact CD2-CD2 3.53Å; L134-V158 HydrophobicContact CB-CG1 4.43Å; L134-V158 HydrophobicContact CB-CG2 4.42Å; L134-I160 PolarHBondContact N-O 3.24Å; L134-L161 HydrophobicContact CB-CD1 4.04Å; L134-L161 HydrophobicContact CD2-CD1 4.01Å; L134-L161 HydrophobicContact CG-CD1 4.04Å; L134-L161 WeakPolarHBondContact O-CA 3.26Å; L134-H162 PolarHBondContact O-N 2.85Å
135C97.3Very high93.3Very high2 Ų232.5 Ų32.51%0.01419%0.188CC..EExtended strand (participates in β ladder)trans-116.8128.4170.5-176.60000109.7L108 T109 L110 Y133 H162L108-C135 PolarHBondContact O-N 2.53Å; T109-C135 CarbonylContact C-O 3.6Å; T109-C135 VanDerWaalsContact CA-O 3.31Å; T109-C135 WeakPolarHBondContact CA-O 3.35Å; T109-C135 HydrophobicContact CG2-CB 4.02Å; L110-C135 PolarHBondContact N-O 3.24Å; Y133-C135 HydrophobicContact CE1-CB 3.77Å; C135-H162 CarbonylContact C-O 3.28Å; C135-H162 WeakPolarHBondContact CA-O 3.27Å; C135-H162 HydrophobicContact CB-CB 3.88Å
136I96Very high93.2Very high1 Ų129.3 Ų29.31%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-123.3110173.1-54.4178.4000106.7L110 F112 L134 L138 M144 M148 H162 L163 I164 I181L110-I136 WeakPolarHBondContact O-CA 3.41Å; F112-I136 HydrophobicContact CD2-CG2 4.05Å; F112-I136 HydrophobicContact CE2-CG2 4.3Å; L134-I136 HydrophobicContact CD1-CG1 4.26Å; L134-I136 HydrophobicContact CD2-CD1 4.19Å; L134-I136 HydrophobicContact CD2-CG1 4.46Å; L134-I136 HydrophobicContact CG-CD1 4.41Å; L134-I136 HydrophobicContact CG-CG1 4.13Å; I136-L138 HydrophobicContact CG2-CD2 3.84Å; I136-L138 PolarHBondContact O-N 2.87Å; I136-M144 HydrophobicContact CG2-CE 4.32Å; I136-M148 HydrophobicContact CD1-SD 3.78Å; I136-H162 PolarHBondContact N-O 3.24Å; I136-L163 HydrophobicContact CB-CD2 3.9Å; I136-L163 HydrophobicContact CD1-CD2 4.06Å; I136-L163 HydrophobicContact CG1-CD2 4.24Å; I136-L163 WeakPolarHBondContact O-CA 3.32Å; I136-I164 PolarHBondContact O-N 2.9Å; I136-I181 HydrophobicContact CD1-CD1 4.48Å
137C95.1Very high93.2Very high17 Ų1728 Ų2812%0.11516%0.156CC..EExtended strand (participates in β ladder)trans-81.4115.8168.7-47.20000106.6L110 D111 F112 I164L110-C137 PolarHBondContact O-N 3.07Å; D111-C137 HydrophobicContact CB-CB 4.34Å; D111-C137 VanDerWaalsContact OD1-CB 3.28Å; D111-C137 WeakPolarHBondContact OD1-CB 3.46Å; F112-C137 CarbonylContact C-O 3.55Å; F112-C137 VanDerWaalsContact CA-O 3.32Å; F112-C137 WeakPolarHBondContact CA-O 3.3Å; F112-C137 VanDerWaalsContact CB-O 3.27Å; F112-C137 WeakPolarHBondContact CB-O 3.41Å; F112-C137 PolarHBondContact N-O 2.82Å; C137-I164 CarbonylContact C-O 3.53Å; C137-I164 WeakPolarHBondContact CA-O 3.06Å
138L93.9Very high93.1Very high5 Ų527.6 Ų27.63%0.02615%0.154CC..  trans-82.7151.3-176.2-60.1172.2000109.6I136 M144 L163 I164 T166 V180 I181 I201I136-L138 HydrophobicContact CG2-CD2 3.84Å; I136-L138 PolarHBondContact O-N 2.87Å; L138-M144 HydrophobicContact CD2-CG 4.14Å; L138-L163 HydrophobicContact CD1-CB 4.24Å; L138-I164 PolarHBondContact N-O 2.93Å; L138-T166 WeakPolarHBondContact O-CG2 3.38Å; L138-V180 HydrophobicContact CB-CG2 4.49Å; L138-V180 HydrophobicContact CD1-CG2 4.27Å; L138-I181 HydrophobicContact CD1-CG2 3.83Å; L138-I181 HydrophobicContact CD2-CB 4.31Å; L138-I181 HydrophobicContact CD2-CD1 4.29Å; L138-I181 HydrophobicContact CD2-CG2 4.05Å; L138-I201 HydrophobicContact CD1-CD1 3.58Å; L138-I201 HydrophobicContact CD1-CG1 4.02Å
139S90.1Very high93Very high4 Ų434.2 Ų34.23%0.02818%0.178CC..  trans-108.5150.3157157.10000108.5F112 A115 V141F112-S139 WeakPolarHBondContact O-CB 3.39Å; A115-S139 PolarHBondContact O-OG 2.6Å; S139-V141 VanDerWaalsContact C-N 3.34Å; S139-V141 VanDerWaalsContact OG-CG2 3.3Å; S139-V141 WeakPolarHBondContact OG-CG2 3.3Å; S139-V141 PolarHBondContact OG-N 3.14Å; S139-V141 VanDerWaalsContact OG-N 3.13Å
140D83.9Confident93.1Very high68 Ų6834 Ų3436%0.36417%0.167SC..SBendtrans-68-23.5172.442.912.4000114.3
141V84.5Confident93.1Very high70 Ų7032.3 Ų32.342%0.42416%0.155SC..SBendtrans-95.7-13.9-174.7-54.60000114.7A115 M116 S139A115-V141 VanDerWaalsContact O-CG2 3.28Å; A115-V141 WeakPolarHBondContact O-CG2 3.21Å; M116-V141 HydrophobicContact CE-CG2 4.41Å; M116-V141 HydrophobicContact SD-CG2 4.27Å; S139-V141 VanDerWaalsContact C-N 3.34Å; S139-V141 VanDerWaalsContact OG-CG2 3.3Å; S139-V141 WeakPolarHBondContact OG-CG2 3.3Å; S139-V141 PolarHBondContact OG-N 3.14Å; S139-V141 VanDerWaalsContact OG-N 3.13Å
142I87.8Confident93Very high6 Ų632.7 Ų32.73%0.03116%0.157CC..  trans-112.5139.5-176.168171.2000112.7F112 A115 L118 M144 V180F112-I142 HydrophobicContact CB-CD1 3.65Å; F112-I142 HydrophobicContact CD1-CD1 3.89Å; F112-I142 HydrophobicContact CG-CD1 3.96Å; A115-I142 HydrophobicContact CB-CD1 3.92Å; A115-I142 WeakPolarHBondContact O-CG2 3.31Å; L118-I142 HydrophobicContact CB-CB 4.47Å; L118-I142 HydrophobicContact CB-CD1 4.48Å; L118-I142 HydrophobicContact CD1-CD1 4.31Å; I142-M144 HydrophobicContact CD1-SD 3.61Å; I142-M144 HydrophobicContact CG1-SD 4.1Å; I142-V180 VanDerWaalsContact O-CB 3.3Å; I142-V180 WeakPolarHBondContact O-CB 3.3Å; I142-V180 VanDerWaalsContact O-CG1 3.3Å; I142-V180 WeakPolarHBondContact O-CG1 3.46Å
143F91Very high92.8Very high117 Ų11732.7 Ų32.751%0.51317%0.168SC..  trans-92.7118.7172.9-65.8-84.4000110.9L118 E145 Y178L118-F143 WeakPolarHBondContact CD2-O 3.4Å; F143-E145 VanDerWaalsContact C-N 3.3Å; F143-E145 PolarHBondContact O-N 3.01Å; F143-Y178 HydrophobicContact CE1-CG 4.46Å; F143-Y178 HydrophobicContact CZ-CD1 4.19Å; F143-Y178 HydrophobicContact CZ-CG 4.05Å
144M91.4Very high92.6Very high0 Ų032.8 Ų32.80%017%0.171CC..THydrogen-bonded Turntrans-81.1-6.3-175.6-65.8-58.3-6700114F112 L118 I136 L138 I142 G146 L147 M148 V180 I181F112-M144 HydrophobicContact CD2-CE 3.55Å; F112-M144 HydrophobicContact CD2-SD 4.1Å; F112-M144 HydrophobicContact CE1-CE 4.26Å; F112-M144 HydrophobicContact CE2-CE 3.19Å; F112-M144 HydrophobicContact CE2-SD 4.25Å; F112-M144 HydrophobicContact CG-CE 4.19Å; F112-M144 HydrophobicContact CG-SD 4.22Å; F112-M144 HydrophobicContact CZ-CE 3.58Å; L118-M144 HydrophobicContact CD1-SD 4.24Å; L118-M144 HydrophobicContact CD2-SD 3.98Å; I136-M144 HydrophobicContact CG2-CE 4.32Å; L138-M144 HydrophobicContact CD2-CG 4.14Å; I142-M144 HydrophobicContact CD1-SD 3.61Å; I142-M144 HydrophobicContact CG1-SD 4.1Å; M144-G146 VanDerWaalsContact C-N 3.26Å; M144-G146 PolarHBondContact O-N 3.41Å; M144-L147 HydrophobicContact CE-CD2 3.65Å; M144-L147 PolarHBondContact O-N 2.89Å; M144-L147 VanDerWaalsContact O-N 3.12Å; M144-M148 HydrophobicContact CB-CG 3.93Å; M144-M148 WeakPolarHBondContact O-CB 3.43Å; M144-M148 VanDerWaalsContact O-CG 3.3Å; M144-M148 WeakPolarHBondContact O-CG 3.1Å; M144-M148 PolarHBondContact O-N 2.7Å; M144-V180 WeakPolarHBondContact CB-O 3.13Å; M144-V180 PolarHBondContact N-O 3.36Å; M144-I181 HydrophobicContact CB-CB 4.42Å
145E91.3Very high92.5Very high44 Ų4432.9 Ų32.921%0.20617%0.171CC..Hα-helixtrans-57.1-35.7-172.8-176.561.5-161.800113.4F143 R149 K185F143-E145 VanDerWaalsContact C-N 3.3Å; F143-E145 PolarHBondContact O-N 3.01Å; E145-R149 WeakPolarHBondContact O-CB 3.45Å; E145-R149 PolarHBondContact O-N 3.35Å; E145-K185 IonicContact OE1-NZ 2.7Å; E145-K185 PolarHBondContact OE1-NZ 2.85Å
146G91.6Very high92.3Very high22 Ų2235.6 Ų35.623%0.22719%0.19CC..Hα-helixtrans-57.4-50.3176.200000112.5M144M144-G146 VanDerWaalsContact C-N 3.26Å; M144-G146 PolarHBondContact O-N 3.41Å
147L95.2Very high92.3Very high0 Ų037 Ų370%020%0.202CC..Hα-helixtrans-71-49.8175.8176.261.1000111.6L95 L110 F112 L118 F121 L124 M144 R149 K150 I151L95-L147 HydrophobicContact CD1-CD1 3.82Å; L110-L147 HydrophobicContact CD1-CD2 4.37Å; F112-L147 HydrophobicContact CE2-CD2 4.21Å; F112-L147 HydrophobicContact CZ-CD2 3.77Å; L118-L147 HydrophobicContact CD2-CB 4.34Å; F121-L147 HydrophobicContact CB-CD1 4.32Å; F121-L147 HydrophobicContact CD1-CD1 3.84Å; F121-L147 HydrophobicContact CD2-CB 3.84Å; F121-L147 HydrophobicContact CD2-CD1 4.06Å; F121-L147 HydrophobicContact CD2-CG 4.43Å; F121-L147 HydrophobicContact CE1-CD1 4.13Å; F121-L147 HydrophobicContact CE2-CB 4.33Å; F121-L147 HydrophobicContact CE2-CD1 4.35Å; F121-L147 HydrophobicContact CG-CB 4.23Å; F121-L147 HydrophobicContact CG-CD1 3.8Å; F121-L147 HydrophobicContact CZ-CD1 4.37Å; L124-L147 HydrophobicContact CD2-CD1 3.92Å; M144-L147 HydrophobicContact CE-CD2 3.65Å; M144-L147 PolarHBondContact O-N 2.89Å; M144-L147 VanDerWaalsContact O-N 3.12Å; L147-R149 VanDerWaalsContact C-N 3.3Å; L147-R149 PolarHBondContact O-N 2.89Å; L147-K150 WeakPolarHBondContact O-CB 3.48Å; L147-K150 PolarHBondContact O-N 3.08Å; L147-I151 HydrophobicContact CD1-CG2 4.09Å; L147-I151 PolarHBondContact O-N 3.21Å
148M95.2Very high92.4Very high2 Ų236.2 Ų36.21%0.0120%0.197CC..Hα-helixtrans-58.2-40.9-173.7-71.8-59.5-57.400112.4I136 M144 K150 I151 Y152 L155 I181 I186I136-M148 HydrophobicContact CD1-SD 3.78Å; M144-M148 HydrophobicContact CB-CG 3.93Å; M144-M148 WeakPolarHBondContact O-CB 3.43Å; M144-M148 VanDerWaalsContact O-CG 3.3Å; M144-M148 WeakPolarHBondContact O-CG 3.1Å; M144-M148 PolarHBondContact O-N 2.7Å; M148-K150 PolarHBondContact O-N 2.88Å; M148-K150 VanDerWaalsContact O-N 3.13Å; M148-I151 HydrophobicContact CE-CD1 4.31Å; M148-I151 HydrophobicContact CE-CG1 4.39Å; M148-I151 PolarHBondContact O-N 2.95Å; M148-I151 HydrophobicContact SD-CD1 3.71Å; M148-I151 HydrophobicContact SD-CG1 4.05Å; M148-Y152 HydrophobicContact CB-CE1 4.07Å; M148-Y152 HydrophobicContact CB-CE2 3.97Å; M148-Y152 HydrophobicContact CE-CD1 4Å; M148-Y152 HydrophobicContact CE-CE1 3.52Å; M148-Y152 WeakPolarHBondContact O-CD2 3.38Å; M148-Y152 VanDerWaalsContact O-CG 3.23Å; M148-Y152 PolarHBondContact O-N 3.05Å; M148-L155 HydrophobicContact CE-CD1 4.18Å; M148-I181 HydrophobicContact CE-CD1 3.97Å; M148-I181 HydrophobicContact CG-CD1 3.98Å; M148-I181 HydrophobicContact CG-CG1 4.08Å; M148-I181 HydrophobicContact SD-CD1 3.82Å; M148-I186 HydrophobicContact CE-CD1 4.06Å; M148-I186 HydrophobicContact CE-CG1 3.92Å
149R93.7Very high92.6Very high141 Ų14138 Ų3853%0.53221%0.205SC..Hα-helixtrans-55.2-31.3175.2174.7165.337.1-150.8-15.8113.6E145 L147E145-R149 WeakPolarHBondContact O-CB 3.45Å; E145-R149 PolarHBondContact O-N 3.35Å; L147-R149 VanDerWaalsContact C-N 3.3Å; L147-R149 PolarHBondContact O-N 2.89Å
150K94.6Very high92.9Very high75 Ų7538.6 Ų38.633%0.32621%0.208SC..Hα-helixtrans-83.1-25.7178.5-63-64.5-169.2163.50113.2F121 N122 L124 L147 M148F121-K150 WeakPolarHBondContact O-CE 3.43Å; F121-K150 WeakPolarHBondContact O-CG 3.49Å; N122-K150 WeakPolarHBondContact O-CE 3.45Å; N122-K150 PolarHBondContact O-NZ 2.97Å; L124-K150 HydrophobicContact CB-CB 4.32Å; L124-K150 HydrophobicContact CB-CG 4.23Å; L124-K150 HydrophobicContact CD2-CB 3.91Å; L124-K150 HydrophobicContact CG-CB 4.42Å; L147-K150 WeakPolarHBondContact O-CB 3.48Å; L147-K150 PolarHBondContact O-N 3.08Å; M148-K150 PolarHBondContact O-N 2.88Å; M148-K150 VanDerWaalsContact O-N 3.13Å
151I94.8Very high93.6Very high0 Ų035.5 Ų35.50%019%0.191CC..Hα-helixtrans-104.7-13.9-173.568.2161.6000114.1L124 F127 L147 M148 S153 C154 L155L124-I151 HydrophobicContact CD2-CG2 4.16Å; F127-I151 HydrophobicContact CB-CG2 3.97Å; F127-I151 HydrophobicContact CD1-CB 3.89Å; F127-I151 HydrophobicContact CD1-CG2 3.82Å; F127-I151 HydrophobicContact CD2-CB 4.31Å; F127-I151 HydrophobicContact CD2-CG2 3.38Å; F127-I151 HydrophobicContact CE1-CB 3.99Å; F127-I151 HydrophobicContact CE1-CD1 4.32Å; F127-I151 HydrophobicContact CE1-CG2 4.1Å; F127-I151 HydrophobicContact CE2-CB 4.42Å; F127-I151 HydrophobicContact CE2-CD1 4.46Å; F127-I151 HydrophobicContact CE2-CG2 3.7Å; F127-I151 HydrophobicContact CG-CB 4.04Å; F127-I151 HydrophobicContact CG-CG2 3.44Å; F127-I151 VanDerWaalsContact CG-CG2 3.44Å; F127-I151 HydrophobicContact CZ-CB 4.26Å; F127-I151 HydrophobicContact CZ-CD1 4.02Å; F127-I151 HydrophobicContact CZ-CG2 4.04Å; L147-I151 HydrophobicContact CD1-CG2 4.09Å; L147-I151 PolarHBondContact O-N 3.21Å; M148-I151 HydrophobicContact CE-CD1 4.31Å; M148-I151 HydrophobicContact CE-CG1 4.39Å; M148-I151 PolarHBondContact O-N 2.95Å; M148-I151 HydrophobicContact SD-CD1 3.71Å; M148-I151 HydrophobicContact SD-CG1 4.05Å; I151-S153 VanDerWaalsContact C-N 3.3Å; I151-S153 PolarHBondContact O-N 3.47Å; I151-C154 WeakPolarHBondContact O-CA 3.45Å; I151-C154 VanDerWaalsContact O-CB 3.29Å; I151-C154 WeakPolarHBondContact O-CB 3.19Å; I151-C154 PolarHBondContact O-N 2.77Å; I151-L155 WeakPolarHBondContact O-CG 3.41Å
152Y94.2Very high94.2Very high10 Ų1032.2 Ų32.24%0.03917%0.171CC..G310 helixtrans-49.2-48-179.9-76.7-48.5000113.2M148 C154 L155 N182 K185 I186 H189M148-Y152 HydrophobicContact CB-CE1 4.07Å; M148-Y152 HydrophobicContact CB-CE2 3.97Å; M148-Y152 HydrophobicContact CE-CD1 4Å; M148-Y152 HydrophobicContact CE-CE1 3.52Å; M148-Y152 WeakPolarHBondContact O-CD2 3.38Å; M148-Y152 VanDerWaalsContact O-CG 3.23Å; M148-Y152 PolarHBondContact O-N 3.05Å; Y152-C154 PolarHBondContact O-N 3.35Å; Y152-C154 VanDerWaalsContact O-N 3.08Å; Y152-L155 HydrophobicContact CD1-CD1 4.2Å; Y152-L155 WeakPolarHBondContact O-CB 3.46Å; Y152-L155 PolarHBondContact O-N 2.8Å; Y152-N182 PolarHBondContact OH-O 2.81Å; Y152-K185 HydrophobicContact CD1-CB 4.41Å; Y152-K185 HydrophobicContact CD2-CB 4.3Å; Y152-K185 HydrophobicContact CD2-CD 4.43Å; Y152-K185 HydrophobicContact CE1-CB 3.82Å; Y152-K185 HydrophobicContact CE2-CB 3.72Å; Y152-K185 HydrophobicContact CE2-CD 3.63Å; Y152-K185 HydrophobicContact CE2-CG 4.34Å; Y152-K185 VanDerWaalsContact CZ-CB 3.44Å; Y152-I186 HydrophobicContact CD1-CG1 4.35Å; Y152-I186 HydrophobicContact CE1-CB 4.41Å; Y152-I186 HydrophobicContact CE1-CG1 3.59Å; Y152-H189 WeakPolarHBondContact O-CB 3.29Å
153S91.7Very high94.6Very high85 Ų8531.9 Ų31.959%0.59417%0.17SC*.G310 helixtrans-61.4-20-18058.30000113.8I151I151-S153 VanDerWaalsContact C-N 3.3Å; I151-S153 PolarHBondContact O-N 3.47Å
154C94.7Very high94.8Very high20 Ų2027 Ų2714%0.13515%0.149CC..G310 helixtrans-88.5-8.3179.6-58.70000113.2F127 I151 Y152 S156F127-C154 HydrophobicContact CD1-CB 3.76Å; I151-C154 WeakPolarHBondContact O-CA 3.45Å; I151-C154 VanDerWaalsContact O-CB 3.29Å; I151-C154 WeakPolarHBondContact O-CB 3.19Å; I151-C154 PolarHBondContact O-N 2.77Å; Y152-C154 PolarHBondContact O-N 3.35Å; Y152-C154 VanDerWaalsContact O-N 3.08Å; C154-S156 VanDerWaalsContact C-N 3.28Å; C154-S156 PolarHBondContact O-N 3.25Å
155L94.6Very high94.9Very high1 Ų127.8 Ų27.81%0.00516%0.156CC..G310 helixtrans-83.82.4-174.1-53.6-175000114.3L134 M148 I151 Y152 A157 V158 H189 T190L134-L155 HydrophobicContact CD2-CD2 3.53Å; M148-L155 HydrophobicContact CE-CD1 4.18Å; I151-L155 WeakPolarHBondContact O-CG 3.41Å; Y152-L155 HydrophobicContact CD1-CD1 4.2Å; Y152-L155 WeakPolarHBondContact O-CB 3.46Å; Y152-L155 PolarHBondContact O-N 2.8Å; L155-A157 PolarHBondContact O-N 3.43Å; L155-V158 HydrophobicContact CB-CG2 4.12Å; L155-V158 HydrophobicContact CD2-CG2 4.1Å; L155-V158 VanDerWaalsContact O-CB 3.3Å; L155-V158 WeakPolarHBondContact O-CB 3.34Å; L155-V158 WeakPolarHBondContact O-CG2 3.45Å; L155-V158 PolarHBondContact O-N 3.04Å; L155-H189 CarbonylContact C-O 3.31Å; L155-H189 VanDerWaalsContact C-O 3.28Å; L155-T190 HydrophobicContact CB-CG2 3.82Å; L155-T190 HydrophobicContact CD1-CG2 4.35Å
156S94.1Very high94.4Very high60 Ų6026.6 Ų26.642%0.4215%0.152SC..G310 helixtrans-61.2-28.2-175.362.40000114.3C154 H189 N192C154-S156 VanDerWaalsContact C-N 3.28Å; C154-S156 PolarHBondContact O-N 3.25Å; S156-H189 VanDerWaalsContact CA-O 3.3Å; S156-H189 WeakPolarHBondContact CA-O 3.49Å; S156-H189 PolarHBondContact N-O 3.1Å; S156-N192 PolarHBondContact O-ND2 3.05Å
157A95.4Very high93.6Very high30 Ų3028 Ų2825%0.24815%0.152CC..G310 helixtrans-88.1-6.217800000114I131 L155 E159I131-A157 CarbonylContact O-C 3.54Å; L155-A157 PolarHBondContact O-N 3.43Å; A157-E159 PolarHBondContact O-N 3.27Å
158V96.8Very high92.3Very high1 Ų136.1 Ų36.11%0.00619%0.19CC..  trans-69.5123.6-175.51770000110I131 L134 L155 I160 L161 N192 L193I131-V158 HydrophobicContact CG2-CG2 4.41Å; I131-V158 PolarHBondContact O-N 3.4Å; L134-V158 HydrophobicContact CB-CG1 4.43Å; L134-V158 HydrophobicContact CB-CG2 4.42Å; L155-V158 HydrophobicContact CB-CG2 4.12Å; L155-V158 HydrophobicContact CD2-CG2 4.1Å; L155-V158 VanDerWaalsContact O-CB 3.3Å; L155-V158 WeakPolarHBondContact O-CB 3.34Å; L155-V158 WeakPolarHBondContact O-CG2 3.45Å; L155-V158 PolarHBondContact O-N 3.04Å; V158-I160 WeakPolarHBondContact CG1-O 3.33Å; V158-L161 HydrophobicContact CG1-CB 4.22Å; V158-N192 CarbonylContact O-C 3.48Å; V158-L193 HydrophobicContact CG1-CD1 4.22Å
159E97.4Very high90.9Very high43 Ų4341.1 Ų41.120%0.20122%0.216CC..SBendtrans-104.1-29.1175-65.7-179.1-139.200111.4K132 A157 R194 V195K132-E159 IonicContact NZ-OE1 2.76Å; K132-E159 PolarHBondContact NZ-OE1 3.13Å; K132-E159 PolarHBondContact O-N 2.62Å; A157-E159 PolarHBondContact O-N 3.27Å; E159-R194 WeakPolarHBondContact O-CA 3.41Å; E159-R194 PolarHBondContact O-N 3.41Å; E159-R194 IonicContact OE2-NH1 3.77Å; E159-R194 PolarHBondContact OE2-NH1 3.42Å; E159-V195 PolarHBondContact O-N 3.12Å
160I97.8Very high89.4Confident16 Ų1636.9 Ų36.98%0.08221%0.211CC..EExtended strand (participates in β ladder)trans-129.2119.4-177.3-57.2163.4000108.3K132 Y133 L134 V158 H162 V195 D489K132-I160 PolarHBondContact O-N 3.02Å; Y133-I160 WeakPolarHBondContact CA-O 3.28Å; Y133-I160 HydrophobicContact CD2-CB 3.83Å; Y133-I160 HydrophobicContact CD2-CD1 4.01Å; Y133-I160 HydrophobicContact CD2-CG2 3.5Å; Y133-I160 VanDerWaalsContact CD2-CG2 3.5Å; Y133-I160 HydrophobicContact CE2-CG2 3.73Å; Y133-I160 HydrophobicContact CG-CB 4.47Å; Y133-I160 HydrophobicContact CG-CG2 4.43Å; L134-I160 PolarHBondContact N-O 3.24Å; V158-I160 WeakPolarHBondContact CG1-O 3.33Å; I160-H162 WeakPolarHBondContact CG2-NE2 3.36Å; I160-V195 WeakPolarHBondContact CA-O 3.46Å; I160-V195 HydrophobicContact CB-CB 4.42Å; I160-V195 HydrophobicContact CG1-CB 4.13Å; I160-V195 HydrophobicContact CG1-CG2 4.3Å; I160-V195 HydrophobicContact CG2-CB 4.11Å; I160-V195 HydrophobicContact CG2-CG1 4.29Å; I160-D489 HydrophobicContact CD1-CB 3.64Å; I160-D489 WeakPolarHBondContact CD1-OD1 3.25Å; I160-D489 HydrophobicContact CG1-CB 4.21Å; I160-D489 WeakPolarHBondContact CG2-O 3.41Å
161L97.4Very high87.7Confident3 Ų337 Ų372%0.01622%0.218CC..EExtended strand (participates in β ladder)trans-121.1120.6177.1-178.963.2000110.3L134 V158 L163 I186 L193 V195 I196 N197L134-L161 HydrophobicContact CB-CD1 4.04Å; L134-L161 HydrophobicContact CD2-CD1 4.01Å; L134-L161 HydrophobicContact CG-CD1 4.04Å; L134-L161 WeakPolarHBondContact O-CA 3.26Å; V158-L161 HydrophobicContact CG1-CB 4.22Å; L161-L163 HydrophobicContact CD1-CD2 4.04Å; L161-L163 HydrophobicContact CD1-CG 4.46Å; L161-L163 HydrophobicContact CD2-CD1 4.44Å; L161-L163 HydrophobicContact CD2-CG 4.34Å; L161-L163 HydrophobicContact CG-CD2 4.3Å; L161-L163 HydrophobicContact CG-CG 4.18Å; L161-I186 HydrophobicContact CD2-CD1 4.48Å; L161-I186 HydrophobicContact CD2-CG2 3.6Å; L161-L193 HydrophobicContact CB-CD1 3.64Å; L161-V195 PolarHBondContact N-O 2.78Å; L161-I196 HydrophobicContact CD2-CD1 4.46Å; L161-I196 WeakPolarHBondContact O-CA 3.43Å; L161-N197 PolarHBondContact O-N 2.81Å
162H97.7Very high85.9Confident0 Ų046.8 Ų46.80%026%0.264CS..EExtended strand (participates in β ladder)trans-106.2120.5168.7-68.2-93000109Y133 L134 C135 I136 I160 I164 N197 D489 L490 F492Y133-H162 AromaticContact CE2-CD2 3.39Å; Y133-H162 WeakPolarHBondContact CE2-CD2 3.38Å; Y133-H162 AromaticContact CE2-NE2 3.31Å; Y133-H162 VanDerWaalsContact CE2-NE2 3.31Å; Y133-H162 WeakPolarHBondContact CE2-NE2 3.4Å; Y133-H162 AromaticContact CZ-CD2 3.35Å; Y133-H162 AromaticContact CZ-NE2 3.63Å; Y133-H162 PolarHBondContact OH-CD2 3.08Å; Y133-H162 VanDerWaalsContact OH-CD2 3.24Å; Y133-H162 PolarHBondContact OH-NE2 3.35Å; L134-H162 PolarHBondContact O-N 2.85Å; C135-H162 CarbonylContact C-O 3.28Å; C135-H162 WeakPolarHBondContact CA-O 3.27Å; C135-H162 HydrophobicContact CB-CB 3.88Å; I136-H162 PolarHBondContact N-O 3.24Å; I160-H162 WeakPolarHBondContact CG2-NE2 3.36Å; H162-I164 HydrophobicContact CB-CD1 3.94Å; H162-I164 HydrophobicContact CB-CG1 4.09Å; H162-N197 WeakPolarHBondContact ND1-CB 3.19Å; H162-N197 PolarHBondContact ND1-ND2 3.33Å; H162-D489 PolarHBondContact NE2-O 3.22Å; H162-L490 PolarHBondContact CE1-O 2.75Å; H162-F492 AromaticContact CE1-CD1 3.96Å; H162-F492 AromaticContact ND1-CD1 3.6Å
163L96.2Very high84.3Confident0 Ų053.7 Ų53.70%030%0.297CS..EExtended strand (participates in β ladder)trans-113.9110.6162.7-56.3-179.8000105.4I136 L138 L161 I181 I183 I186 N197 L198 F199 I201I136-L163 HydrophobicContact CB-CD2 3.9Å; I136-L163 HydrophobicContact CD1-CD2 4.06Å; I136-L163 HydrophobicContact CG1-CD2 4.24Å; I136-L163 WeakPolarHBondContact O-CA 3.32Å; L138-L163 HydrophobicContact CD1-CB 4.24Å; L161-L163 HydrophobicContact CD1-CD2 4.04Å; L161-L163 HydrophobicContact CD1-CG 4.46Å; L161-L163 HydrophobicContact CD2-CD1 4.44Å; L161-L163 HydrophobicContact CD2-CG 4.34Å; L161-L163 HydrophobicContact CG-CD2 4.3Å; L161-L163 HydrophobicContact CG-CG 4.18Å; L163-I181 HydrophobicContact CD1-CD1 4.17Å; L163-I181 HydrophobicContact CD1-CG2 4.35Å; L163-I181 HydrophobicContact CD2-CD1 3.87Å; L163-I183 HydrophobicContact CD1-CD1 3.55Å; L163-I186 HydrophobicContact CD1-CD1 3.84Å; L163-N197 PolarHBondContact N-O 3.18Å; L163-N197 VanDerWaalsContact O-O 3.07Å; L163-L198 HydrophobicContact CB-CD2 3.87Å; L163-L198 HydrophobicContact CD1-CD2 3.77Å; L163-L198 HydrophobicContact CG-CD2 4.09Å; L163-L198 CarbonylContact O-C 3.55Å; L163-L198 VanDerWaalsContact O-CA 3.29Å; L163-L198 WeakPolarHBondContact O-CA 3.39Å; L163-F199 PolarHBondContact O-N 3.22Å; L163-I201 HydrophobicContact CB-CD1 3.59Å; L163-I201 WeakPolarHBondContact O-CD1 3.41Å
164I95.3Very high82.7Confident15 Ų1559.5 Ų59.58%0.07731%0.314CS..EExtended strand (participates in β ladder)trans-111.6115.4-171.2-52.2-57.2000107.9I136 C137 L138 H162 F199 F492I136-I164 PolarHBondContact O-N 2.9Å; C137-I164 CarbonylContact C-O 3.53Å; C137-I164 WeakPolarHBondContact CA-O 3.06Å; L138-I164 PolarHBondContact N-O 2.93Å; H162-I164 HydrophobicContact CB-CD1 3.94Å; H162-I164 HydrophobicContact CB-CG1 4.09Å; I164-F199 HydrophobicContact CD1-CB 3.97Å; I164-F199 HydrophobicContact CG2-CD1 4.32Å; I164-F492 HydrophobicContact CB-CD2 4.43Å; I164-F492 HydrophobicContact CB-CE2 4.28Å; I164-F492 HydrophobicContact CD1-CD1 3.77Å; I164-F492 HydrophobicContact CD1-CD2 3.74Å; I164-F492 HydrophobicContact CD1-CE1 3.75Å; I164-F492 HydrophobicContact CD1-CE2 3.69Å; I164-F492 HydrophobicContact CD1-CG 3.76Å; I164-F492 HydrophobicContact CD1-CZ 3.69Å; I164-F492 HydrophobicContact CG1-CD1 4.48Å; I164-F492 HydrophobicContact CG1-CD2 3.6Å; I164-F492 HydrophobicContact CG1-CE2 3.79Å; I164-F492 HydrophobicContact CG1-CG 3.96Å; I164-F492 HydrophobicContact CG1-CZ 4.32Å; I164-F492 HydrophobicContact CG2-CD2 4.07Å; I164-F492 HydrophobicContact CG2-CE2 3.51Å; I164-F492 HydrophobicContact CG2-CZ 4.14Å
165G92.9Very high81.4Confident15 Ų1564 Ų6416%0.15533%0.333CS..  trans-83177176.600000113.3F199 G200G165-F199 PolarHBondContact N-O 3.47Å; G165-G200 WeakPolarHBondContact CA-O 3.48Å
166T82.2Confident80.5Confident20 Ų2070.7 Ų70.712%0.12337%0.365CS..  trans-102.133.7-176.546.80000112.3L138 E168 L169 A170L138-T166 WeakPolarHBondContact O-CG2 3.38Å; T166-E168 PolarHBondContact O-N 3.35Å; T166-L169 HydrophobicContact CG2-CD1 3.9Å; T166-L169 WeakPolarHBondContact O-CA 3.43Å; T166-L169 WeakPolarHBondContact O-CB 3.42Å; T166-L169 PolarHBondContact O-N 2.89Å; T166-A170 PolarHBondContact O-N 2.99Å
167F74.1Confident79.7Confident50 Ų5072.6 Ų72.622%0.21937%0.369CS..G310 helixtrans-48.7-38.7-177.1176.5-95.5000113.9L169 A170 F226 L228 H252F167-L169 PolarHBondContact O-N 3.17Å; F167-A170 WeakPolarHBondContact O-CB 3.31Å; F167-A170 PolarHBondContact O-N 3.24Å; F167-F226 HydrophobicContact CB-CB 4.38Å; F167-F226 HydrophobicContact CD1-CB 3.89Å; F167-F226 AromaticContact CD1-CD1 3.73Å; F167-F226 HydrophobicContact CD1-CD1 3.73Å; F167-F226 AromaticContact CD1-CG 3.92Å; F167-F226 HydrophobicContact CD1-CG 3.92Å; F167-F226 HydrophobicContact CD2-CB 3.99Å; F167-F226 HydrophobicContact CE1-CB 4.17Å; F167-F226 AromaticContact CE1-CD1 3.35Å; F167-F226 HydrophobicContact CE1-CD1 3.35Å; F167-F226 HydrophobicContact CE1-CE1 4.03Å; F167-F226 HydrophobicContact CE1-CG 4.01Å; F167-F226 HydrophobicContact CE2-CB 4.25Å; F167-F226 HydrophobicContact CG-CB 3.81Å; F167-F226 HydrophobicContact CG-CD1 4.47Å; F167-F226 HydrophobicContact CG-CG 4.35Å; F167-F226 HydrophobicContact CZ-CB 4.34Å; F167-F226 AromaticContact CZ-CD1 3.8Å; F167-F226 HydrophobicContact CZ-CD1 3.8Å; F167-F226 HydrophobicContact CZ-CG 4.49Å; F167-L228 HydrophobicContact CE2-CD1 4.17Å; F167-L228 HydrophobicContact CE2-CG 4.35Å; F167-H252 AromaticContact CZ-CD2 3.9Å
168E67.2Low79.1Confident171 Ų17176.6 Ų76.680%0.79938%0.378SS*.G310 helixtrans-67.1-17.8177.8-62.9-17517000114.3T166T166-E168 PolarHBondContact O-N 3.35Å
169L65.4Low78.7Confident108 Ų10880.6 Ų80.657%0.56540%0.397SS*.G310 helixtrans-97.2-8.7179.2-56.5179000113T166 F167 T171T166-L169 HydrophobicContact CG2-CD1 3.9Å; T166-L169 WeakPolarHBondContact O-CA 3.43Å; T166-L169 WeakPolarHBondContact O-CB 3.42Å; T166-L169 PolarHBondContact O-N 2.89Å; F167-L169 PolarHBondContact O-N 3.17Å; L169-T171 PolarHBondContact O-N 3.44Å
170A63.4Low78.3Confident51 Ų5179 Ų7942%0.42139%0.39SS..  trans-60.2125.6-178.600000110.3T166 F167T166-A170 PolarHBondContact O-N 2.99Å; F167-A170 WeakPolarHBondContact O-CB 3.31Å; F167-A170 PolarHBondContact O-N 3.24Å
171T58.9Low78.1Confident77 Ų7778.2 Ų78.247%0.47239%0.386SS..  trans-78.3157.3171.670.20000109.6L169 E173 E175L169-T171 PolarHBondContact O-N 3.44Å; T171-E173 PolarHBondContact O-N 2.71Å; T171-E173 VanDerWaalsContact O-N 3.08Å; T171-E175 PolarHBondContact OG1-OE1 3.23Å
172E56.9Low77.8Confident206 Ų20679.7 Ų79.796%0.96339%0.394SS*.SBendtrans-65.3-6.5177.2-67.7-175.8171.200113.3
173E60.4Low77.5Confident156 Ų15679.8 Ų79.873%0.72940%0.395SS*.SBendtrans-72.9142.6-178.8-61.8-171.6-179.600110.9T171 E175T171-E173 PolarHBondContact O-N 2.71Å; T171-E173 VanDerWaalsContact O-N 3.08Å; E173-E175 PolarHBondContact O-N 2.96Å
174E57.3Low77.1Confident207 Ų20782.2 Ų82.297%0.96741%0.412SS*.  trans-67.478.3175-69.6-179.1170.400110
175E68.3Low76.9Confident114 Ų11485.1 Ų85.153%0.53342%0.424SS..  trans-77.4143.9174-69.9-176.4-167.700111.3T171 E173 I177T171-E175 PolarHBondContact OG1-OE1 3.23Å; E173-E175 PolarHBondContact O-N 2.96Å; E175-I177 PolarHBondContact O-N 3.47Å
176E75.3Confident76.8Confident142 Ų14284.5 Ų84.566%0.66442%0.417SS*.  trans-63125.6173.7-73.4-174.4-172.800110.2Y178E176-Y178 HydrophobicContact CB-CE1 4.11Å; E176-Y178 HydrophobicContact CB-CE2 3.83Å; E176-Y178 WeakPolarHBondContact O-CD2 3.39Å; E176-Y178 WeakPolarHBondContact O-CE2 3.42Å; E176-Y178 PolarHBondContact O-N 3.44Å; E176-Y178 VanDerWaalsContact OE2-CZ 3.25Å; E176-Y178 PolarHBondContact OE2-OH 3.34Å
177I78.4Confident77.1Confident100 Ų10084.8 Ų84.851%0.51342%0.416SS..  trans-83.8113.7-180-60.9176000109.3E175 N202 F203E175-I177 PolarHBondContact O-N 3.47Å; I177-N202 HydrophobicContact CG2-CB 4.37Å; I177-F203 HydrophobicContact CG2-CB 3.48Å; I177-F203 VanDerWaalsContact CG2-CB 3.48Å
178Y83.1Confident77.7Confident113 Ų11385.5 Ų85.544%0.44343%0.431SS..  trans-104140.7177.6-58-70.1000112.9F143 E176 V180 F203F143-Y178 HydrophobicContact CE1-CG 4.46Å; F143-Y178 HydrophobicContact CZ-CD1 4.19Å; F143-Y178 HydrophobicContact CZ-CG 4.05Å; E176-Y178 HydrophobicContact CB-CE1 4.11Å; E176-Y178 HydrophobicContact CB-CE2 3.83Å; E176-Y178 WeakPolarHBondContact O-CD2 3.39Å; E176-Y178 WeakPolarHBondContact O-CE2 3.42Å; E176-Y178 PolarHBondContact O-N 3.44Å; E176-Y178 VanDerWaalsContact OE2-CZ 3.25Å; E176-Y178 PolarHBondContact OE2-OH 3.34Å; Y178-V180 PolarHBondContact O-N 2.85Å; Y178-F203 WeakPolarHBondContact O-CD1 3.38Å
179E87.8Confident79Confident86 Ų8680.6 Ų80.640%0.40241%0.408SS..  trans-75.589.1166.7-172.9-179.9175.800109.4I181 N182 F203E179-I181 WeakPolarHBondContact CG-O 3.45Å; E179-I181 PolarHBondContact O-N 3.31Å; E179-N182 VanDerWaalsContact OE1-CA 3.32Å; E179-N182 WeakPolarHBondContact OE1-CA 3.37Å; E179-F203 HydrophobicContact CB-CD2 4.15Å; E179-F203 HydrophobicContact CB-CE2 4.45Å; E179-F203 HydrophobicContact CB-CG 4.39Å; E179-F203 HydrophobicContact CG-CD2 3.87Å; E179-F203 HydrophobicContact CG-CE2 3.73Å; E179-F203 HydrophobicContact CG-CZ 4.27Å
180V89.1Confident80.3Confident8 Ų875.5 Ų75.55%0.04838%0.382CS..  trans-73.1-17.1180-66.90000113.2L138 I142 M144 Y178 F203L138-V180 HydrophobicContact CB-CG2 4.49Å; L138-V180 HydrophobicContact CD1-CG2 4.27Å; I142-V180 VanDerWaalsContact O-CB 3.3Å; I142-V180 WeakPolarHBondContact O-CB 3.3Å; I142-V180 VanDerWaalsContact O-CG1 3.3Å; I142-V180 WeakPolarHBondContact O-CG1 3.46Å; M144-V180 WeakPolarHBondContact CB-O 3.13Å; M144-V180 PolarHBondContact N-O 3.36Å; Y178-V180 PolarHBondContact O-N 2.85Å; V180-F203 HydrophobicContact CG2-CD1 4.36Å; V180-F203 HydrophobicContact CG2-CE1 3.68Å
181I92.1Very high81.7Confident1 Ų176.3 Ų76.31%0.00538%0.383CS..SBendtrans-145.1131.1178.9-173.8166.3000112I136 L138 M144 M148 L163 E179 I183 I186 F203I136-I181 HydrophobicContact CD1-CD1 4.48Å; L138-I181 HydrophobicContact CD1-CG2 3.83Å; L138-I181 HydrophobicContact CD2-CB 4.31Å; L138-I181 HydrophobicContact CD2-CD1 4.29Å; L138-I181 HydrophobicContact CD2-CG2 4.05Å; M144-I181 HydrophobicContact CB-CB 4.42Å; M148-I181 HydrophobicContact CE-CD1 3.97Å; M148-I181 HydrophobicContact CG-CD1 3.98Å; M148-I181 HydrophobicContact CG-CG1 4.08Å; M148-I181 HydrophobicContact SD-CD1 3.82Å; L163-I181 HydrophobicContact CD1-CD1 4.17Å; L163-I181 HydrophobicContact CD1-CG2 4.35Å; L163-I181 HydrophobicContact CD2-CD1 3.87Å; E179-I181 WeakPolarHBondContact CG-O 3.45Å; E179-I181 PolarHBondContact O-N 3.31Å; I181-I183 HydrophobicContact CG2-CD1 4.3Å; I181-I183 PolarHBondContact O-N 3.01Å; I181-I186 HydrophobicContact CD1-CD1 3.78Å; I181-I186 HydrophobicContact CG1-CD1 3.94Å; I181-F203 HydrophobicContact CG2-CE1 4.19Å; I181-F203 HydrophobicContact CG2-CZ 3.6Å
182N91.7Very high83.4Confident34 Ų3476.3 Ų76.318%0.18238%0.38CS..  trans-83.2100.1-175.1-167.9-51.7000113.1Y152 E179 S184 K185 I186Y152-N182 PolarHBondContact OH-O 2.81Å; E179-N182 VanDerWaalsContact OE1-CA 3.32Å; E179-N182 WeakPolarHBondContact OE1-CA 3.37Å; N182-S184 VanDerWaalsContact C-N 3.33Å; N182-S184 PolarHBondContact O-N 2.95Å; N182-S184 WeakPolarHBondContact OD1-CB 3.3Å; N182-S184 PolarHBondContact OD1-N 3.17Å; N182-S184 VanDerWaalsContact OD1-N 3.13Å; N182-S184 PolarHBondContact OD1-OG 2.81Å; N182-K185 HydrophobicContact CB-CD 4.43Å; N182-K185 PolarHBondContact O-N 3.2Å; N182-K185 PolarHBondContact OD1-N 2.74Å; N182-K185 VanDerWaalsContact OD1-N 3.12Å; N182-I186 PolarHBondContact O-N 3.24Å
183I92Very high85.3Confident1 Ų166.5 Ų66.51%0.00533%0.334CS..Hα-helixtrans-66.6-34.3-178.9-55.5-58.2000111.9L163 I181 K185 I186 K187 F203 I204 H208 L212L163-I183 HydrophobicContact CD1-CD1 3.55Å; I181-I183 HydrophobicContact CG2-CD1 4.3Å; I181-I183 PolarHBondContact O-N 3.01Å; I183-K185 PolarHBondContact O-N 3.4Å; I183-I186 HydrophobicContact CD1-CD1 4.12Å; I183-I186 PolarHBondContact O-N 2.94Å; I183-K187 PolarHBondContact O-N 3.27Å; I183-K187 VanDerWaalsContact O-N 3.1Å; I183-F203 HydrophobicContact CG1-CE2 4.23Å; I183-I204 HydrophobicContact CD1-CD1 4.14Å; I183-I204 HydrophobicContact CG1-CD1 3.72Å; I183-H208 HydrophobicContact CG2-CB 4.45Å; I183-L212 HydrophobicContact CG2-CD1 4.43Å; I183-L212 HydrophobicContact CG2-CD2 4.13Å; I183-L212 HydrophobicContact CG2-CG 4.13Å
184S88.4Confident87Confident51 Ų5162.2 Ų62.236%0.35731%0.311SS..Hα-helixtrans-59.2-35.9-17981.50000112.3N182N182-S184 VanDerWaalsContact C-N 3.33Å; N182-S184 PolarHBondContact O-N 2.95Å; N182-S184 WeakPolarHBondContact OD1-CB 3.3Å; N182-S184 PolarHBondContact OD1-N 3.17Å; N182-S184 VanDerWaalsContact OD1-N 3.13Å; N182-S184 PolarHBondContact OD1-OG 2.81Å
185K89.6Confident89Confident77 Ų7752.4 Ų52.434%0.33527%0.266SS..Hα-helixtrans-78.6-38.3176.6-69.5-177.4-173.31770112.9E145 Y152 N182 I183 K187 A188 H189E145-K185 IonicContact OE1-NZ 2.7Å; E145-K185 PolarHBondContact OE1-NZ 2.85Å; Y152-K185 HydrophobicContact CD1-CB 4.41Å; Y152-K185 HydrophobicContact CD2-CB 4.3Å; Y152-K185 HydrophobicContact CD2-CD 4.43Å; Y152-K185 HydrophobicContact CE1-CB 3.82Å; Y152-K185 HydrophobicContact CE2-CB 3.72Å; Y152-K185 HydrophobicContact CE2-CD 3.63Å; Y152-K185 HydrophobicContact CE2-CG 4.34Å; Y152-K185 VanDerWaalsContact CZ-CB 3.44Å; N182-K185 HydrophobicContact CB-CD 4.43Å; N182-K185 PolarHBondContact O-N 3.2Å; N182-K185 PolarHBondContact OD1-N 2.74Å; N182-K185 VanDerWaalsContact OD1-N 3.12Å; I183-K185 PolarHBondContact O-N 3.4Å; K185-K187 VanDerWaalsContact C-N 3.3Å; K185-K187 PolarHBondContact O-N 2.72Å; K185-A188 PolarHBondContact O-N 2.93Å; K185-A188 VanDerWaalsContact O-N 3.17Å; K185-H189 PolarHBondContact O-ND1 3.33Å
186I91Very high90.4Very high1 Ų147 Ų471%0.00524%0.24CC..Hα-helixtrans-55-50.9176.5-67.6176.5000109.7M148 Y152 L161 L163 I181 N182 I183 A188 H189 T190M148-I186 HydrophobicContact CE-CD1 4.06Å; M148-I186 HydrophobicContact CE-CG1 3.92Å; Y152-I186 HydrophobicContact CD1-CG1 4.35Å; Y152-I186 HydrophobicContact CE1-CB 4.41Å; Y152-I186 HydrophobicContact CE1-CG1 3.59Å; L161-I186 HydrophobicContact CD2-CD1 4.48Å; L161-I186 HydrophobicContact CD2-CG2 3.6Å; L163-I186 HydrophobicContact CD1-CD1 3.84Å; I181-I186 HydrophobicContact CD1-CD1 3.78Å; I181-I186 HydrophobicContact CG1-CD1 3.94Å; N182-I186 PolarHBondContact O-N 3.24Å; I183-I186 HydrophobicContact CD1-CD1 4.12Å; I183-I186 PolarHBondContact O-N 2.94Å; I186-A188 PolarHBondContact O-N 2.96Å; I186-A188 VanDerWaalsContact O-N 3.12Å; I186-H189 PolarHBondContact O-N 2.84Å; I186-T190 HydrophobicContact CG2-CG2 3.87Å; I186-T190 PolarHBondContact O-N 2.8Å; I186-T190 PolarHBondContact O-OG1 3.19Å
187K87.9Confident91.4Very high26 Ų2640.6 Ų40.611%0.11321%0.21CC..Hα-helixtrans-48.7-40.1177.9170.7-148.5171.1155.20113.4I183 K185 H189 L211 S214 N215I183-K187 PolarHBondContact O-N 3.27Å; I183-K187 VanDerWaalsContact O-N 3.1Å; K185-K187 VanDerWaalsContact C-N 3.3Å; K185-K187 PolarHBondContact O-N 2.72Å; K187-H189 PolarHBondContact O-N 3.38Å; K187-L211 HydrophobicContact CD-CB 4.05Å; K187-L211 HydrophobicContact CD-CD2 4.34Å; K187-L211 WeakPolarHBondContact CD-O 3.15Å; K187-L211 WeakPolarHBondContact CE-O 3.4Å; K187-L211 WeakPolarHBondContact CG-O 3.3Å; K187-L211 PolarHBondContact NZ-O 2.95Å; K187-S214 PolarHBondContact NZ-OG 3Å; K187-N215 HydrophobicContact CD-CB 4.19Å; K187-N215 VanDerWaalsContact CE-CB 3.47Å; K187-N215 WeakPolarHBondContact CE-ND2 3.43Å; K187-N215 WeakPolarHBondContact CE-OD1 3.4Å; K187-N215 HydrophobicContact CG-CB 3.61Å; K187-N215 PolarHBondContact O-ND2 3.27Å
188A88.4Confident92.3Very high65 Ų6535.8 Ų35.854%0.53719%0.186SC..Hα-helixtrans-69.9-16.1-178.400000113.4K185 I186K185-A188 PolarHBondContact O-N 2.93Å; K185-A188 VanDerWaalsContact O-N 3.17Å; I186-A188 PolarHBondContact O-N 2.96Å; I186-A188 VanDerWaalsContact O-N 3.12Å
189H92.7Very high92.9Very high68 Ų6832.3 Ų32.332%0.31517%0.173SC..Hα-helixtrans-118.3-2.5-172.3-6186.4000114.4Y152 L155 S156 K185 I186 K187 P191Y152-H189 WeakPolarHBondContact O-CB 3.29Å; L155-H189 CarbonylContact C-O 3.31Å; L155-H189 VanDerWaalsContact C-O 3.28Å; S156-H189 VanDerWaalsContact CA-O 3.3Å; S156-H189 WeakPolarHBondContact CA-O 3.49Å; S156-H189 PolarHBondContact N-O 3.1Å; K185-H189 PolarHBondContact O-ND1 3.33Å; I186-H189 PolarHBondContact O-N 2.84Å; K187-H189 PolarHBondContact O-N 3.38Å; H189-P191 WeakPolarHBondContact O-CD 3.45Å
190T93.9Very high93.2Very high1 Ų128.3 Ų28.31%0.00616%0.155CC..  trans-11563.7-179.857.90000112.4L155 I186 N192 L193L155-T190 HydrophobicContact CB-CG2 3.82Å; L155-T190 HydrophobicContact CD1-CG2 4.35Å; I186-T190 HydrophobicContact CG2-CG2 3.87Å; I186-T190 PolarHBondContact O-N 2.8Å; I186-T190 PolarHBondContact O-OG1 3.19Å; T190-N192 PolarHBondContact O-N 3.18Å; T190-L193 WeakPolarHBondContact O-CB 3.29Å; T190-L193 PolarHBondContact O-N 2.84Å
191P92.2Very high93.4Very high69 Ų6928.2 Ų28.245%0.44815%0.154SC..THydrogen-bonded Turntrans-67.9-21.5-176.429.6-36.5000113.8H189H189-P191 WeakPolarHBondContact O-CD 3.45Å
192N94.1Very high93.4Very high76 Ų7630.9 Ų30.941%0.40617%0.168SC..THydrogen-bonded Turntrans-97.810.9-177.3-66.2-53.8000113.3S156 V158 T190 R194S156-N192 PolarHBondContact O-ND2 3.05Å; V158-N192 CarbonylContact O-C 3.48Å; T190-N192 PolarHBondContact O-N 3.18Å; N192-R194 PolarHBondContact O-N 3.11Å
193L96.9Very high93.4Very high0 Ų030.2 Ų30.20%016%0.164CC..  trans-65.6127-174.2-164.565.5000111.4V158 L161 T190 I196 C216 H218 L219V158-L193 HydrophobicContact CG1-CD1 4.22Å; L161-L193 HydrophobicContact CB-CD1 3.64Å; T190-L193 WeakPolarHBondContact O-CB 3.29Å; T190-L193 PolarHBondContact O-N 2.84Å; L193-I196 HydrophobicContact CD2-CB 4.09Å; L193-I196 HydrophobicContact CD2-CD1 4.04Å; L193-I196 HydrophobicContact CD2-CG1 4.44Å; L193-C216 HydrophobicContact CB-CB 4.4Å; L193-H218 CarbonylContact O-C 3.17Å; L193-H218 VanDerWaalsContact O-C 3.28Å; L193-L219 HydrophobicContact CD2-CD2 4.29Å; L193-L219 HydrophobicContact CG-CD2 4.13Å; L193-L219 PolarHBondContact O-N 3.15Å
194R97.5Very high93.6Very high67 Ų6730.2 Ų30.225%0.25316%0.164SC..  trans-118.1-36.6-178.3-68.5169.164.1-147.2-15111.9E159 N192 H218 E220 C221E159-R194 WeakPolarHBondContact O-CA 3.41Å; E159-R194 PolarHBondContact O-N 3.41Å; E159-R194 IonicContact OE2-NH1 3.77Å; E159-R194 PolarHBondContact OE2-NH1 3.42Å; N192-R194 PolarHBondContact O-N 3.11Å; R194-H218 HydrophobicContact CG-CB 4.31Å; R194-E220 IonicContact CZ-OE1 2.95Å; R194-E220 IonicContact CZ-OE2 3.98Å; R194-E220 IonicContact NE-OE1 3.35Å; R194-E220 PolarHBondContact NE-OE1 3.09Å; R194-E220 IonicContact NE-OE2 3.59Å; R194-E220 IonicContact NH2-OE1 2.73Å; R194-E220 PolarHBondContact NH2-OE1 3.21Å; R194-E220 IonicContact NH2-OE2 2.69Å; R194-E220 PolarHBondContact NH2-OE2 2.95Å; R194-E220 PolarHBondContact O-N 3.1Å; R194-C221 PolarHBondContact O-N 3.06Å; R194-C221 VanDerWaalsContact O-N 3.09Å
195V98.1Very high94Very high1 Ų132 Ų321%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-126.3125.9177.8-178.70000108.1E159 I160 L161 C221 D489 L490E159-V195 PolarHBondContact O-N 3.12Å; I160-V195 WeakPolarHBondContact CA-O 3.46Å; I160-V195 HydrophobicContact CB-CB 4.42Å; I160-V195 HydrophobicContact CG1-CB 4.13Å; I160-V195 HydrophobicContact CG1-CG2 4.3Å; I160-V195 HydrophobicContact CG2-CB 4.11Å; I160-V195 HydrophobicContact CG2-CG1 4.29Å; L161-V195 PolarHBondContact N-O 2.78Å; V195-C221 WeakPolarHBondContact CA-O 3.2Å; V195-C221 HydrophobicContact CB-CB 4.45Å; V195-C221 HydrophobicContact CG1-CB 4.1Å; V195-C221 HydrophobicContact CG2-CB 4.09Å; V195-D489 HydrophobicContact CG2-CB 4Å; V195-L490 HydrophobicContact CG1-CD2 3.88Å; V195-L490 HydrophobicContact CG1-CG 4.39Å
196I97.6Very high94.4Very high1 Ų128.9 Ų28.91%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-124131.4168.6-167.8167000109.5L161 L193 L198 L212 L219 C221 V222 A223L161-I196 HydrophobicContact CD2-CD1 4.46Å; L161-I196 WeakPolarHBondContact O-CA 3.43Å; L193-I196 HydrophobicContact CD2-CB 4.09Å; L193-I196 HydrophobicContact CD2-CD1 4.04Å; L193-I196 HydrophobicContact CD2-CG1 4.44Å; I196-L198 HydrophobicContact CD1-CD1 4.4Å; I196-L198 HydrophobicContact CD1-CD2 3.91Å; I196-L198 HydrophobicContact CD1-CG 4.22Å; I196-L198 HydrophobicContact CG1-CD2 3.91Å; I196-L198 HydrophobicContact CG1-CG 4.07Å; I196-L212 HydrophobicContact CD1-CD1 3.64Å; I196-L212 HydrophobicContact CD1-CD2 3.51Å; I196-L212 HydrophobicContact CD1-CG 4.22Å; I196-L219 HydrophobicContact CB-CD2 4.35Å; I196-L219 HydrophobicContact CG2-CD2 3.9Å; I196-C221 PolarHBondContact N-O 2.88Å; I196-V222 HydrophobicContact CG2-CB 4.37Å; I196-V222 HydrophobicContact CG2-CG1 4.37Å; I196-V222 HydrophobicContact CG2-CG2 3.93Å; I196-A223 PolarHBondContact O-N 3.17Å
197N97.7Very high94.7Very high6 Ų631.1 Ų31.13%0.03217%0.169CC..EExtended strand (participates in β ladder)trans-124.8119.8174.8-176.63.5000108.6L161 H162 L163 F199 A223 L490 F492L161-N197 PolarHBondContact O-N 2.81Å; H162-N197 WeakPolarHBondContact ND1-CB 3.19Å; H162-N197 PolarHBondContact ND1-ND2 3.33Å; L163-N197 PolarHBondContact N-O 3.18Å; L163-N197 VanDerWaalsContact O-O 3.07Å; N197-F199 WeakPolarHBondContact OD1-CB 3.48Å; N197-F199 PolarHBondContact OD1-N 3.3Å; N197-F199 VanDerWaalsContact OD1-N 3.09Å; N197-A223 HydrophobicContact CB-CB 4.13Å; N197-L490 HydrophobicContact CB-CD2 4.37Å; N197-F492 WeakPolarHBondContact ND2-CD1 3.31Å; N197-F492 WeakPolarHBondContact ND2-CE1 3.28Å
198L97Very high95.1Very high0 Ų030.7 Ų30.70%017%0.168CC..  trans-114.530.4-178.3-59-177.9000111.4L163 I196 G200 I201 I204 L212 A223 L224 C227L163-L198 HydrophobicContact CB-CD2 3.87Å; L163-L198 HydrophobicContact CD1-CD2 3.77Å; L163-L198 HydrophobicContact CG-CD2 4.09Å; L163-L198 CarbonylContact O-C 3.55Å; L163-L198 VanDerWaalsContact O-CA 3.29Å; L163-L198 WeakPolarHBondContact O-CA 3.39Å; I196-L198 HydrophobicContact CD1-CD1 4.4Å; I196-L198 HydrophobicContact CD1-CD2 3.91Å; I196-L198 HydrophobicContact CD1-CG 4.22Å; I196-L198 HydrophobicContact CG1-CD2 3.91Å; I196-L198 HydrophobicContact CG1-CG 4.07Å; L198-G200 PolarHBondContact O-N 3.18Å; L198-I201 HydrophobicContact CB-CD1 4.14Å; L198-I201 HydrophobicContact CD2-CD1 4.19Å; L198-I201 WeakPolarHBondContact O-CG1 3.29Å; L198-I201 PolarHBondContact O-N 2.8Å; L198-I204 HydrophobicContact CD1-CD1 4.05Å; L198-I204 HydrophobicContact CD1-CG1 4.22Å; L198-I204 HydrophobicContact CD1-CG2 4.05Å; L198-L212 HydrophobicContact CD1-CD1 4.02Å; L198-A223 PolarHBondContact N-O 3.28Å; L198-L224 HydrophobicContact CB-CD2 4.18Å; L198-L224 HydrophobicContact CD1-CD2 3.81Å; L198-L224 HydrophobicContact CG-CD2 4.35Å; L198-C227 PolarHBondContact O-SG 3.29Å
199F96Very high95.5Very high40 Ų4027.7 Ų27.718%0.17514%0.142CC..THydrogen-bonded Turntrans-44.4123.2-173.8-175.2-84.8000112.7L163 I164 G165 N197 I201 N225 F226 F492L163-F199 PolarHBondContact O-N 3.22Å; I164-F199 HydrophobicContact CD1-CB 3.97Å; I164-F199 HydrophobicContact CG2-CD1 4.32Å; G165-F199 PolarHBondContact N-O 3.47Å; N197-F199 WeakPolarHBondContact OD1-CB 3.48Å; N197-F199 PolarHBondContact OD1-N 3.3Å; N197-F199 VanDerWaalsContact OD1-N 3.09Å; F199-I201 VanDerWaalsContact C-N 3.31Å; F199-I201 PolarHBondContact O-N 3.23Å; F199-N225 WeakPolarHBondContact CA-O 2.94Å; F199-N225 HydrophobicContact CD2-CB 3.91Å; F199-N225 HydrophobicContact CE2-CB 4.19Å; F199-F226 AromaticContact CD2-CD2 3.99Å; F199-F226 HydrophobicContact CD2-CD2 3.99Å; F199-F226 HydrophobicContact CD2-CE2 4.39Å; F199-F226 HydrophobicContact CE1-CD2 4.17Å; F199-F226 AromaticContact CE2-CD2 3.34Å; F199-F226 HydrophobicContact CE2-CD2 3.34Å; F199-F226 AromaticContact CE2-CE2 3.42Å; F199-F226 HydrophobicContact CE2-CE2 3.42Å; F199-F226 VanDerWaalsContact CE2-CE2 3.42Å; F199-F226 AromaticContact CZ-CD2 3.43Å; F199-F226 HydrophobicContact CZ-CD2 3.43Å; F199-F226 VanDerWaalsContact CZ-CD2 3.43Å; F199-F226 AromaticContact CZ-CE2 3.58Å; F199-F226 HydrophobicContact CZ-CE2 3.58Å; F199-F226 HydrophobicContact CZ-CG 4.45Å; F199-F492 HydrophobicContact CB-CZ 4.36Å; F199-F492 HydrophobicContact CD1-CZ 4.49Å; F199-F492 HydrophobicContact CD2-CZ 4.43Å; F199-F492 HydrophobicContact CG-CZ 4.19Å
200G93.8Very high95.6Very high2 Ų228.3 Ų28.32%0.02115%0.145CC..THydrogen-bonded Turntrans64.927.7168.200000115.5G165 L198 N225G165-G200 WeakPolarHBondContact CA-O 3.48Å; L198-G200 PolarHBondContact O-N 3.18Å; G200-N225 PolarHBondContact N-O 3.14Å
201I93.8Very high95.6Very high6 Ų630.9 Ų30.93%0.03116%0.159CC..  trans-94.7108.7176.7-56.2176.8000110.2L138 L163 L198 F199 F203 I204L138-I201 HydrophobicContact CD1-CD1 3.58Å; L138-I201 HydrophobicContact CD1-CG1 4.02Å; L163-I201 HydrophobicContact CB-CD1 3.59Å; L163-I201 WeakPolarHBondContact O-CD1 3.41Å; L198-I201 HydrophobicContact CB-CD1 4.14Å; L198-I201 HydrophobicContact CD2-CD1 4.19Å; L198-I201 WeakPolarHBondContact O-CG1 3.29Å; L198-I201 PolarHBondContact O-N 2.8Å; F199-I201 VanDerWaalsContact C-N 3.31Å; F199-I201 PolarHBondContact O-N 3.23Å; I201-F203 HydrophobicContact CG2-CD1 3.42Å; I201-F203 VanDerWaalsContact CG2-CD1 3.42Å; I201-F203 HydrophobicContact CG2-CD2 4.48Å; I201-F203 HydrophobicContact CG2-CE1 3.14Å; I201-F203 HydrophobicContact CG2-CE2 4.26Å; I201-F203 HydrophobicContact CG2-CG 4.08Å; I201-F203 HydrophobicContact CG2-CZ 3.6Å; I201-F203 PolarHBondContact O-N 3.39Å; I201-I204 HydrophobicContact CB-CB 4.45Å; I201-I204 HydrophobicContact CB-CG1 3.67Å; I201-I204 HydrophobicContact CD1-CG1 4.42Å; I201-I204 HydrophobicContact CG2-CD1 4.41Å; I201-I204 HydrophobicContact CG2-CG1 3.55Å; I201-I204 PolarHBondContact O-N 3.24Å
202N90.5Very high95.7Very high57 Ų5727.7 Ų27.731%0.30514%0.138SC..THydrogen-bonded Turntrans-63.7-34.2-173.1-67.7-19.9000114.5I177 I204 N229I177-N202 HydrophobicContact CG2-CB 4.37Å; N202-I204 VanDerWaalsContact C-N 3.27Å; N202-I204 PolarHBondContact O-N 3.12Å; N202-N229 PolarHBondContact O-ND2 3.01Å
203F92.5Very high95.7Very high20 Ų2024 Ų249%0.08812%0.119CC..THydrogen-bonded Turntrans-79-7.5-179.173.6-99.2000113.8I177 Y178 E179 V180 I181 I183 I201 E205 H208I177-F203 HydrophobicContact CG2-CB 3.48Å; I177-F203 VanDerWaalsContact CG2-CB 3.48Å; Y178-F203 WeakPolarHBondContact O-CD1 3.38Å; E179-F203 HydrophobicContact CB-CD2 4.15Å; E179-F203 HydrophobicContact CB-CE2 4.45Å; E179-F203 HydrophobicContact CB-CG 4.39Å; E179-F203 HydrophobicContact CG-CD2 3.87Å; E179-F203 HydrophobicContact CG-CE2 3.73Å; E179-F203 HydrophobicContact CG-CZ 4.27Å; V180-F203 HydrophobicContact CG2-CD1 4.36Å; V180-F203 HydrophobicContact CG2-CE1 3.68Å; I181-F203 HydrophobicContact CG2-CE1 4.19Å; I181-F203 HydrophobicContact CG2-CZ 3.6Å; I183-F203 HydrophobicContact CG1-CE2 4.23Å; I201-F203 HydrophobicContact CG2-CD1 3.42Å; I201-F203 VanDerWaalsContact CG2-CD1 3.42Å; I201-F203 HydrophobicContact CG2-CD2 4.48Å; I201-F203 HydrophobicContact CG2-CE1 3.14Å; I201-F203 HydrophobicContact CG2-CE2 4.26Å; I201-F203 HydrophobicContact CG2-CG 4.08Å; I201-F203 HydrophobicContact CG2-CZ 3.6Å; I201-F203 PolarHBondContact O-N 3.39Å; F203-E205 PolarHBondContact O-N 3.45Å; F203-H208 AromaticContact CD2-NE2 3.99Å; F203-H208 PolarHBondContact O-CE1 3.43Å
204I95.5Very high95.5Very high0 Ų026.4 Ų26.40%014%0.135CC..  trans-74.3124.1-180-65.7-64.5000110.5I183 L198 I201 N202 H208 L224 C227 N229 V230I183-I204 HydrophobicContact CD1-CD1 4.14Å; I183-I204 HydrophobicContact CG1-CD1 3.72Å; L198-I204 HydrophobicContact CD1-CD1 4.05Å; L198-I204 HydrophobicContact CD1-CG1 4.22Å; L198-I204 HydrophobicContact CD1-CG2 4.05Å; I201-I204 HydrophobicContact CB-CB 4.45Å; I201-I204 HydrophobicContact CB-CG1 3.67Å; I201-I204 HydrophobicContact CD1-CG1 4.42Å; I201-I204 HydrophobicContact CG2-CD1 4.41Å; I201-I204 HydrophobicContact CG2-CG1 3.55Å; I201-I204 PolarHBondContact O-N 3.24Å; N202-I204 VanDerWaalsContact C-N 3.27Å; N202-I204 PolarHBondContact O-N 3.12Å; I204-H208 HydrophobicContact CD1-CB 4.06Å; I204-L224 HydrophobicContact CG2-CD2 4.29Å; I204-C227 HydrophobicContact CB-CB 4.39Å; I204-C227 HydrophobicContact CG2-CB 4.34Å; I204-N229 CarbonylContact O-C 3.21Å; I204-N229 VanDerWaalsContact O-CB 3.32Å; I204-N229 WeakPolarHBondContact O-CB 3.45Å; I204-V230 HydrophobicContact CG2-CG2 3.96Å
205E96.5Very high95Very high90 Ų9027 Ų2742%0.42114%0.143SC..  trans-134.6176177.856.5165.1-145.500110.5F203 S207 H208 V209 N229F203-E205 PolarHBondContact O-N 3.45Å; E205-S207 VanDerWaalsContact C-N 3.25Å; E205-S207 WeakPolarHBondContact CG-OG 3.39Å; E205-S207 PolarHBondContact O-N 3.27Å; E205-S207 VanDerWaalsContact O-N 3.17Å; E205-S207 WeakPolarHBondContact OE1-CB 3.21Å; E205-S207 PolarHBondContact OE1-OG 3.17Å; E205-H208 WeakPolarHBondContact CG-ND1 3.47Å; E205-H208 PolarHBondContact N-ND1 3.13Å; E205-H208 WeakPolarHBondContact O-CB 3.28Å; E205-H208 PolarHBondContact O-N 2.83Å; E205-V209 PolarHBondContact O-N 3.38Å; E205-N229 HydrophobicContact CB-CB 4.1Å
206D98.5Very high94.5Very high11 Ų1126.9 Ų26.96%0.05914%0.143CC..Hα-helixtrans-55.6-34.3-176.3-75.9-84.2000114.5H208 V209 E210 K231 G232 S233 S234D206-H208 PolarHBondContact O-N 3.11Å; D206-V209 PolarHBondContact O-N 3.13Å; D206-E210 WeakPolarHBondContact O-CG 3.32Å; D206-E210 PolarHBondContact O-N 3.31Å; D206-K231 WeakPolarHBondContact OD2-CA 3.46Å; D206-K231 WeakPolarHBondContact OD2-CB 3.46Å; D206-K231 PolarHBondContact OD2-N 3.19Å; D206-G232 VanDerWaalsContact OD1-C 3.23Å; D206-G232 VanDerWaalsContact OD1-CA 3.26Å; D206-G232 WeakPolarHBondContact OD1-CA 3.39Å; D206-G232 PolarHBondContact OD1-N 2.59Å; D206-G232 PolarHBondContact OD2-N 3.17Å; D206-G232 VanDerWaalsContact OD2-N 3.13Å; D206-S233 WeakPolarHBondContact CB-OG 3.41Å; D206-S233 PolarHBondContact OD1-N 3.04Å; D206-S233 PolarHBondContact OD1-OG 3.08Å; D206-S234 VanDerWaalsContact O-CB 3.31Å; D206-S234 WeakPolarHBondContact O-CB 3.41Å; D206-S234 VanDerWaalsContact OD1-CB 3.28Å; D206-S234 WeakPolarHBondContact OD1-CB 3.43Å; D206-S234 PolarHBondContact OD1-N 3.34Å; D206-S234 PolarHBondContact OD1-OG 2.76Å
207S96.9Very high94.2Very high48 Ų4831.3 Ų31.334%0.33617%0.165SC..Hα-helixtrans-58.1-38176.769.30000112E205 E210 L211E205-S207 VanDerWaalsContact C-N 3.25Å; E205-S207 WeakPolarHBondContact CG-OG 3.39Å; E205-S207 PolarHBondContact O-N 3.27Å; E205-S207 VanDerWaalsContact O-N 3.17Å; E205-S207 WeakPolarHBondContact OE1-CB 3.21Å; E205-S207 PolarHBondContact OE1-OG 3.17Å; S207-E210 PolarHBondContact O-N 2.91Å; S207-L211 VanDerWaalsContact O-CG 3.29Å; S207-L211 WeakPolarHBondContact O-CG 3.43Å; S207-L211 PolarHBondContact O-N 3.34Å; S207-L211 VanDerWaalsContact O-N 3.12Å
208H96.3Very high94.1Very high17 Ų1734 Ų348%0.07918%0.177CC..Hα-helixtrans-69.2-37.5175.6-57.494.9000111.9I183 F203 I204 E205 D206 L211 L212I183-H208 HydrophobicContact CG2-CB 4.45Å; F203-H208 AromaticContact CD2-NE2 3.99Å; F203-H208 PolarHBondContact O-CE1 3.43Å; I204-H208 HydrophobicContact CD1-CB 4.06Å; E205-H208 WeakPolarHBondContact CG-ND1 3.47Å; E205-H208 PolarHBondContact N-ND1 3.13Å; E205-H208 WeakPolarHBondContact O-CB 3.28Å; E205-H208 PolarHBondContact O-N 2.83Å; D206-H208 PolarHBondContact O-N 3.11Å; H208-L211 WeakPolarHBondContact O-CB 3.37Å; H208-L211 PolarHBondContact O-N 2.95Å; H208-L212 WeakPolarHBondContact O-CG 3.43Å; H208-L212 PolarHBondContact O-N 2.77Å; H208-L212 VanDerWaalsContact O-N 3.14Å
209V96.9Very high94.1Very high1 Ų134 Ų341%0.00618%0.177CC..Hα-helixtrans-69.2-39.2177.5-177.60000110.9E205 D206 L211 L212 A213 L224 V230 S234 L238E205-V209 PolarHBondContact O-N 3.38Å; D206-V209 PolarHBondContact O-N 3.13Å; V209-L211 VanDerWaalsContact C-N 3.3Å; V209-L211 PolarHBondContact O-N 3.16Å; V209-L212 PolarHBondContact O-N 3.11Å; V209-A213 WeakPolarHBondContact O-CB 3.44Å; V209-A213 PolarHBondContact O-N 3.15Å; V209-L224 HydrophobicContact CG2-CD1 3.99Å; V209-L224 HydrophobicContact CG2-CD2 4.16Å; V209-V230 HydrophobicContact CG2-CG2 4.44Å; V209-S234 WeakPolarHBondContact CB-OG 3.5Å; V209-S234 WeakPolarHBondContact CG1-OG 3.46Å; V209-L238 HydrophobicContact CG1-CD2 4.42Å
210E96.3Very high94.2Very high81 Ų8133.1 Ų33.138%0.37917%0.174SC..Hα-helixtrans-61.4-39.9173.7-72.5-179.5-179.500112.3D206 S207 A213 S214 L237D206-E210 WeakPolarHBondContact O-CG 3.32Å; D206-E210 PolarHBondContact O-N 3.31Å; S207-E210 PolarHBondContact O-N 2.91Å; E210-A213 PolarHBondContact O-N 3.32Å; E210-S214 PolarHBondContact O-N 3.08Å; E210-S214 VanDerWaalsContact O-N 3.12Å; E210-S214 PolarHBondContact O-OG 2.94Å; E210-L237 HydrophobicContact CB-CD2 3.87Å; E210-L237 HydrophobicContact CG-CD2 4.03Å
211L93.8Very high94.4Very high55 Ų5533 Ų3329%0.28817%0.173SC..Hα-helixtrans-58.1-50.4173.5-74.2171.8000110.1K187 S207 H208 V209 A213 S214K187-L211 HydrophobicContact CD-CB 4.05Å; K187-L211 HydrophobicContact CD-CD2 4.34Å; K187-L211 WeakPolarHBondContact CD-O 3.15Å; K187-L211 WeakPolarHBondContact CE-O 3.4Å; K187-L211 WeakPolarHBondContact CG-O 3.3Å; K187-L211 PolarHBondContact NZ-O 2.95Å; S207-L211 VanDerWaalsContact O-CG 3.29Å; S207-L211 WeakPolarHBondContact O-CG 3.43Å; S207-L211 PolarHBondContact O-N 3.34Å; S207-L211 VanDerWaalsContact O-N 3.12Å; H208-L211 WeakPolarHBondContact O-CB 3.37Å; H208-L211 PolarHBondContact O-N 2.95Å; V209-L211 VanDerWaalsContact C-N 3.3Å; V209-L211 PolarHBondContact O-N 3.16Å; L211-A213 PolarHBondContact O-N 3.13Å; L211-S214 PolarHBondContact O-N 3.1Å; L211-S214 PolarHBondContact O-OG 2.84Å
212L93.6Very high94.7Very high2 Ų232.9 Ų32.91%0.0117%0.172CC..Hα-helixtrans-59.9-46.5177.3-67165.3000112.1I183 I196 L198 H208 V209 S214 N215 C216I183-L212 HydrophobicContact CG2-CD1 4.43Å; I183-L212 HydrophobicContact CG2-CD2 4.13Å; I183-L212 HydrophobicContact CG2-CG 4.13Å; I196-L212 HydrophobicContact CD1-CD1 3.64Å; I196-L212 HydrophobicContact CD1-CD2 3.51Å; I196-L212 HydrophobicContact CD1-CG 4.22Å; L198-L212 HydrophobicContact CD1-CD1 4.02Å; H208-L212 WeakPolarHBondContact O-CG 3.43Å; H208-L212 PolarHBondContact O-N 2.77Å; H208-L212 VanDerWaalsContact O-N 3.14Å; V209-L212 PolarHBondContact O-N 3.11Å; L212-S214 PolarHBondContact O-N 3.2Å; L212-N215 PolarHBondContact O-N 3.38Å; L212-C216 VanDerWaalsContact O-CB 3.31Å; L212-C216 WeakPolarHBondContact O-CB 3.42Å; L212-C216 PolarHBondContact O-N 3.03Å
213A93.7Very high95Very high0 Ų030.2 Ų30.20%016%0.159CC..Hα-helixtrans-59.5-28.9-178.500000113.9V209 E210 L211 L237 L238 N241V209-A213 WeakPolarHBondContact O-CB 3.44Å; V209-A213 PolarHBondContact O-N 3.15Å; E210-A213 PolarHBondContact O-N 3.32Å; L211-A213 PolarHBondContact O-N 3.13Å; A213-L237 HydrophobicContact CB-CD2 4.39Å; A213-L237 HydrophobicContact CB-CG 4.15Å; A213-L238 HydrophobicContact CB-CB 4.28Å; A213-L238 HydrophobicContact CB-CD1 3.89Å; A213-N241 WeakPolarHBondContact O-CB 2.96Å; A213-N241 PolarHBondContact O-ND2 3.41Å
214S92.4Very high95.3Very high50 Ų5029.3 Ų29.335%0.3516%0.155SC..Hα-helixtrans-84.8-20-174.337.40000114.9K187 E210 L211 L212K187-S214 PolarHBondContact NZ-OG 3Å; E210-S214 PolarHBondContact O-N 3.08Å; E210-S214 VanDerWaalsContact O-N 3.12Å; E210-S214 PolarHBondContact O-OG 2.94Å; L211-S214 PolarHBondContact O-N 3.1Å; L211-S214 PolarHBondContact O-OG 2.84Å; L212-S214 PolarHBondContact O-N 3.2Å
215N87.3Confident95.4Very high78 Ų7829.7 Ų29.742%0.41716%0.157SC..Hα-helixtrans-116-29.5175.7-81.213.4000114K187 L212 I217K187-N215 HydrophobicContact CD-CB 4.19Å; K187-N215 VanDerWaalsContact CE-CB 3.47Å; K187-N215 WeakPolarHBondContact CE-ND2 3.43Å; K187-N215 WeakPolarHBondContact CE-OD1 3.4Å; K187-N215 HydrophobicContact CG-CB 3.61Å; K187-N215 PolarHBondContact O-ND2 3.27Å; L212-N215 PolarHBondContact O-N 3.38Å; N215-I217 VanDerWaalsContact C-N 3.3Å; N215-I217 PolarHBondContact O-N 2.81Å; N215-I217 VanDerWaalsContact O-N 3.07Å
216C88.2Confident95.4Very high0 Ų027.1 Ų27.10%014%0.144CC..  trans-91.662.7-170.1-53.50000111L193 L212 H218 L219L193-C216 HydrophobicContact CB-CB 4.4Å; L212-C216 VanDerWaalsContact O-CB 3.31Å; L212-C216 WeakPolarHBondContact O-CB 3.42Å; L212-C216 PolarHBondContact O-N 3.03Å; C216-H218 PolarHBondContact O-N 3.36Å; C216-L219 HydrophobicContact CB-CD1 3.64Å; C216-L219 HydrophobicContact CB-CD2 4.34Å; C216-L219 HydrophobicContact CB-CG 3.61Å; C216-L219 WeakPolarHBondContact O-CB 3.41Å; C216-L219 VanDerWaalsContact O-CG 3.26Å; C216-L219 WeakPolarHBondContact O-CG 3.48Å; C216-L219 PolarHBondContact O-N 2.99Å
217I91.3Very high95.3Very high93 Ų9326.6 Ų26.648%0.47714%0.142SC..THydrogen-bonded Turntrans-63.4-9.6-176.663.2166000114.3N215N215-I217 VanDerWaalsContact C-N 3.3Å; N215-I217 PolarHBondContact O-N 2.81Å; N215-I217 VanDerWaalsContact O-N 3.07Å
218H95.6Very high95.1Very high62 Ų6227.5 Ų27.529%0.28714%0.142SC..THydrogen-bonded Turntrans-973.6178-66.8-27.5000113.9L193 R194 C216 E220 K244L193-H218 CarbonylContact O-C 3.17Å; L193-H218 VanDerWaalsContact O-C 3.28Å; R194-H218 HydrophobicContact CG-CB 4.31Å; C216-H218 PolarHBondContact O-N 3.36Å; H218-E220 PolarHBondContact O-N 2.8Å; H218-K244 PolarHBondContact ND1-NZ 3.27Å
219L97.4Very high95.1Very high0 Ų029.4 Ų29.40%015%0.153CC..  trans-55.9127.2175.8-76.2172.7000111.2L193 I196 C216 V222 C242 K244 L245L193-L219 HydrophobicContact CD2-CD2 4.29Å; L193-L219 HydrophobicContact CG-CD2 4.13Å; L193-L219 PolarHBondContact O-N 3.15Å; I196-L219 HydrophobicContact CB-CD2 4.35Å; I196-L219 HydrophobicContact CG2-CD2 3.9Å; C216-L219 HydrophobicContact CB-CD1 3.64Å; C216-L219 HydrophobicContact CB-CD2 4.34Å; C216-L219 HydrophobicContact CB-CG 3.61Å; C216-L219 WeakPolarHBondContact O-CB 3.41Å; C216-L219 VanDerWaalsContact O-CG 3.26Å; C216-L219 WeakPolarHBondContact O-CG 3.48Å; C216-L219 PolarHBondContact O-N 2.99Å; L219-V222 HydrophobicContact CD1-CG2 4.01Å; L219-V222 HydrophobicContact CD2-CG2 4.41Å; L219-C242 HydrophobicContact CB-CB 4.25Å; L219-K244 CarbonylContact O-C 3.16Å; L219-K244 WeakPolarHBondContact O-CB 3.37Å; L219-L245 WeakPolarHBondContact O-CA 3.42Å; L219-L245 PolarHBondContact O-N 2.77Å
220E98.2Very high95.2Very high22 Ų2229.3 Ų29.310%0.10315%0.152CC..  trans-113.4-29.7177-69.3171.1-162.600110.9R194 H218 K244 T246 T247 R486R194-E220 IonicContact CZ-OE1 2.95Å; R194-E220 IonicContact CZ-OE2 3.98Å; R194-E220 IonicContact NE-OE1 3.35Å; R194-E220 PolarHBondContact NE-OE1 3.09Å; R194-E220 IonicContact NE-OE2 3.59Å; R194-E220 IonicContact NH2-OE1 2.73Å; R194-E220 PolarHBondContact NH2-OE1 3.21Å; R194-E220 IonicContact NH2-OE2 2.69Å; R194-E220 PolarHBondContact NH2-OE2 2.95Å; R194-E220 PolarHBondContact O-N 3.1Å; H218-E220 PolarHBondContact O-N 2.8Å; E220-K244 WeakPolarHBondContact CA-O 3.29Å; E220-K244 HydrophobicContact CG-CB 4.06Å; E220-T246 PolarHBondContact O-N 3.46Å; E220-T246 PolarHBondContact O-OG1 3.04Å; E220-T247 PolarHBondContact O-N 2.97Å; E220-T247 VanDerWaalsContact O-N 3.14Å; E220-R486 IonicContact OE2-CZ 3.15Å; E220-R486 IonicContact OE2-NE 2.76Å; E220-R486 PolarHBondContact OE2-NE 2.85Å; E220-R486 IonicContact OE2-NH2 3.3Å; E220-R486 PolarHBondContact OE2-NH2 2.91Å
221C98.6Very high95.3Very high0 Ų028.4 Ų28.40%015%0.147CC..EExtended strand (participates in β ladder)trans-141.8131.2178.4178.40000111.3R194 V195 I196 T247 R486R194-C221 PolarHBondContact O-N 3.06Å; R194-C221 VanDerWaalsContact O-N 3.09Å; V195-C221 WeakPolarHBondContact CA-O 3.2Å; V195-C221 HydrophobicContact CB-CB 4.45Å; V195-C221 HydrophobicContact CG1-CB 4.1Å; V195-C221 HydrophobicContact CG2-CB 4.09Å; I196-C221 PolarHBondContact N-O 2.88Å; C221-T247 WeakPolarHBondContact CA-O 3.43Å; C221-T247 HydrophobicContact CB-CG2 4.43Å; C221-R486 HydrophobicContact CB-CB 4.34Å; C221-R486 HydrophobicContact CB-CG 4.3Å
222V98.4Very high95.5Very high3 Ų325.8 Ų25.82%0.01813%0.134CC..EExtended strand (participates in β ladder)trans-124.3116.4172.6172.70000107.5I196 L219 L224 L238 L245 T247 L248 L249I196-V222 HydrophobicContact CG2-CB 4.37Å; I196-V222 HydrophobicContact CG2-CG1 4.37Å; I196-V222 HydrophobicContact CG2-CG2 3.93Å; L219-V222 HydrophobicContact CD1-CG2 4.01Å; L219-V222 HydrophobicContact CD2-CG2 4.41Å; V222-L224 HydrophobicContact CG1-CD1 3.84Å; V222-L224 HydrophobicContact CG1-CD2 4.26Å; V222-L224 HydrophobicContact CG1-CG 3.79Å; V222-L238 HydrophobicContact CG2-CD1 4.34Å; V222-L245 HydrophobicContact CB-CD1 4.2Å; V222-L245 HydrophobicContact CG2-CD1 3.8Å; V222-T247 PolarHBondContact N-O 3.48Å; V222-L248 HydrophobicContact CB-CD1 4.02Å; V222-L248 HydrophobicContact CG1-CD1 4.02Å; V222-L248 WeakPolarHBondContact O-CA 3.46Å; V222-L249 PolarHBondContact O-N 2.87Å
223A98.3Very high95.8Very high2 Ų227.8 Ų27.82%0.01715%0.148CC..EExtended strand (participates in β ladder)trans-111.7120.5175.400000109.6I196 N197 L198 L249 L490I196-A223 PolarHBondContact O-N 3.17Å; N197-A223 HydrophobicContact CB-CB 4.13Å; L198-A223 PolarHBondContact N-O 3.28Å; A223-L249 HydrophobicContact CB-CB 4.15Å; A223-L249 HydrophobicContact CB-CD1 3.94Å; A223-L249 HydrophobicContact CB-CG 4.3Å; A223-L490 HydrophobicContact CB-CD2 4.14Å
224L98.4Very high96Very high1 Ų127.8 Ų27.81%0.00515%0.148CC..  trans-124.418-176.4-61.6168.2000111L198 I204 V209 V222 F226 C227 V230 F235 L249 L250 C253L198-L224 HydrophobicContact CB-CD2 4.18Å; L198-L224 HydrophobicContact CD1-CD2 3.81Å; L198-L224 HydrophobicContact CG-CD2 4.35Å; I204-L224 HydrophobicContact CG2-CD2 4.29Å; V209-L224 HydrophobicContact CG2-CD1 3.99Å; V209-L224 HydrophobicContact CG2-CD2 4.16Å; V222-L224 HydrophobicContact CG1-CD1 3.84Å; V222-L224 HydrophobicContact CG1-CD2 4.26Å; V222-L224 HydrophobicContact CG1-CG 3.79Å; L224-F226 PolarHBondContact O-N 2.89Å; L224-C227 HydrophobicContact CB-CB 4.45Å; L224-C227 VanDerWaalsContact O-CB 3.24Å; L224-C227 WeakPolarHBondContact O-CB 3.43Å; L224-C227 PolarHBondContact O-N 3.25Å; L224-C227 PolarHBondContact O-SG 3.09Å; L224-C227 VanDerWaalsContact O-SG 3.38Å; L224-V230 HydrophobicContact CD1-CG1 4.22Å; L224-F235 HydrophobicContact CD1-CE1 4.13Å; L224-L249 PolarHBondContact N-O 2.93Å; L224-L250 HydrophobicContact CB-CD2 4.17Å; L224-L250 HydrophobicContact CD1-CD2 3.93Å; L224-C253 PolarHBondContact O-SG 3.37Å
225N97.3Very high96.3Very high8 Ų825.5 Ų25.54%0.04313%0.131CC..THydrogen-bonded Turntrans-50.8133.6-178-66.316.3000110.1F199 G200 C227 L249 L250 E251F199-N225 WeakPolarHBondContact CA-O 2.94Å; F199-N225 HydrophobicContact CD2-CB 3.91Å; F199-N225 HydrophobicContact CE2-CB 4.19Å; G200-N225 PolarHBondContact N-O 3.14Å; N225-C227 PolarHBondContact O-N 3.39Å; N225-L249 WeakPolarHBondContact OD1-CB 3.23Å; N225-L249 PolarHBondContact OD1-O 2.77Å; N225-L250 PolarHBondContact OD1-N 3.21Å; N225-E251 CarbonylContact C-O 3.54Å; N225-E251 VanDerWaalsContact CA-O 3.28Å; N225-E251 WeakPolarHBondContact CA-O 3.49Å; N225-E251 HydrophobicContact CB-CB 3.98Å; N225-E251 PolarHBondContact ND2-OE2 2.83Å; N225-E251 PolarHBondContact OD1-N 2.89Å
226F96Very high96.8Very high36 Ų3624.6 Ų24.616%0.15813%0.129CC..THydrogen-bonded Turntrans65.214.3-179.8-50.5-84.3000115.2F167 F199 L224 L228 E251 H252F167-F226 HydrophobicContact CB-CB 4.38Å; F167-F226 HydrophobicContact CD1-CB 3.89Å; F167-F226 AromaticContact CD1-CD1 3.73Å; F167-F226 HydrophobicContact CD1-CD1 3.73Å; F167-F226 AromaticContact CD1-CG 3.92Å; F167-F226 HydrophobicContact CD1-CG 3.92Å; F167-F226 HydrophobicContact CD2-CB 3.99Å; F167-F226 HydrophobicContact CE1-CB 4.17Å; F167-F226 AromaticContact CE1-CD1 3.35Å; F167-F226 HydrophobicContact CE1-CD1 3.35Å; F167-F226 HydrophobicContact CE1-CE1 4.03Å; F167-F226 HydrophobicContact CE1-CG 4.01Å; F167-F226 HydrophobicContact CE2-CB 4.25Å; F167-F226 HydrophobicContact CG-CB 3.81Å; F167-F226 HydrophobicContact CG-CD1 4.47Å; F167-F226 HydrophobicContact CG-CG 4.35Å; F167-F226 HydrophobicContact CZ-CB 4.34Å; F167-F226 AromaticContact CZ-CD1 3.8Å; F167-F226 HydrophobicContact CZ-CD1 3.8Å; F167-F226 HydrophobicContact CZ-CG 4.49Å; F199-F226 AromaticContact CD2-CD2 3.99Å; F199-F226 HydrophobicContact CD2-CD2 3.99Å; F199-F226 HydrophobicContact CD2-CE2 4.39Å; F199-F226 HydrophobicContact CE1-CD2 4.17Å; F199-F226 AromaticContact CE2-CD2 3.34Å; F199-F226 HydrophobicContact CE2-CD2 3.34Å; F199-F226 AromaticContact CE2-CE2 3.42Å; F199-F226 HydrophobicContact CE2-CE2 3.42Å; F199-F226 VanDerWaalsContact CE2-CE2 3.42Å; F199-F226 AromaticContact CZ-CD2 3.43Å; F199-F226 HydrophobicContact CZ-CD2 3.43Å; F199-F226 VanDerWaalsContact CZ-CD2 3.43Å; F199-F226 AromaticContact CZ-CE2 3.58Å; F199-F226 HydrophobicContact CZ-CE2 3.58Å; F199-F226 HydrophobicContact CZ-CG 4.45Å; L224-F226 PolarHBondContact O-N 2.89Å; F226-L228 PolarHBondContact O-N 3.21Å; F226-E251 HydrophobicContact CE2-CG 4.27Å; F226-E251 HydrophobicContact CZ-CG 3.98Å; F226-E251 PolarHBondContact N-O 3.34Å; F226-H252 HydrophobicContact CD1-CB 3.72Å; F226-H252 AromaticContact CD1-CD2 3.86Å; F226-H252 HydrophobicContact CE1-CB 3.89Å; F226-H252 HydrophobicContact CG-CB 4.47Å
227C96Very high97.2Very high0 Ų027.4 Ų27.40%014%0.143CC..  trans-83.485.4167.9-61.90000110.7L198 I204 L224 N225 N229 V230L198-C227 PolarHBondContact O-SG 3.29Å; I204-C227 HydrophobicContact CB-CB 4.39Å; I204-C227 HydrophobicContact CG2-CB 4.34Å; L224-C227 HydrophobicContact CB-CB 4.45Å; L224-C227 VanDerWaalsContact O-CB 3.24Å; L224-C227 WeakPolarHBondContact O-CB 3.43Å; L224-C227 PolarHBondContact O-N 3.25Å; L224-C227 PolarHBondContact O-SG 3.09Å; L224-C227 VanDerWaalsContact O-SG 3.38Å; N225-C227 PolarHBondContact O-N 3.39Å; C227-N229 PolarHBondContact O-N 3.39Å; C227-N229 VanDerWaalsContact O-N 3.15Å; C227-V230 HydrophobicContact CB-CB 4.46Å; C227-V230 HydrophobicContact CB-CG2 3.71Å; C227-V230 PolarHBondContact O-N 3.25Å; C227-V230 VanDerWaalsContact O-N 3.14Å
228L94.4Very high97.5Very high66 Ų6623 Ų2335%0.34612%0.121SC..THydrogen-bonded Turntrans-59.8-26.5-174.6-62179.5000114.3F167 F226 V230 K231 H252 G254F167-L228 HydrophobicContact CE2-CD1 4.17Å; F167-L228 HydrophobicContact CE2-CG 4.35Å; F226-L228 PolarHBondContact O-N 3.21Å; L228-V230 VanDerWaalsContact C-N 3.34Å; L228-K231 PolarHBondContact O-NZ 3.4Å; L228-H252 VanDerWaalsContact CD2-O 3.31Å; L228-H252 WeakPolarHBondContact CD2-O 3.43Å; L228-G254 WeakPolarHBondContact O-CA 3.4Å; L228-G254 PolarHBondContact O-N 2.85Å
229N95.9Very high97.6Very high57 Ų5720.4 Ų20.431%0.30511%0.109SC..THydrogen-bonded Turntrans-85.5-3-178.5-72.5-37.8000114.2N202 I204 E205 C227 K231N202-N229 PolarHBondContact O-ND2 3.01Å; I204-N229 CarbonylContact O-C 3.21Å; I204-N229 VanDerWaalsContact O-CB 3.32Å; I204-N229 WeakPolarHBondContact O-CB 3.45Å; E205-N229 HydrophobicContact CB-CB 4.1Å; C227-N229 PolarHBondContact O-N 3.39Å; C227-N229 VanDerWaalsContact O-N 3.15Å; N229-K231 PolarHBondContact O-N 3.28Å
230V98.3Very high97.6Very high0 Ų022.7 Ų22.70%013%0.128CC..  trans-79.6117.6169.91790000110I204 V209 L224 C227 L228 F235 G254 L255I204-V230 HydrophobicContact CG2-CG2 3.96Å; V209-V230 HydrophobicContact CG2-CG2 4.44Å; L224-V230 HydrophobicContact CD1-CG1 4.22Å; C227-V230 HydrophobicContact CB-CB 4.46Å; C227-V230 HydrophobicContact CB-CG2 3.71Å; C227-V230 PolarHBondContact O-N 3.25Å; C227-V230 VanDerWaalsContact O-N 3.14Å; L228-V230 VanDerWaalsContact C-N 3.34Å; V230-F235 HydrophobicContact CG1-CE1 4.12Å; V230-F235 HydrophobicContact CG1-CZ 3.88Å; V230-G254 CarbonylContact O-C 3.47Å; V230-G254 VanDerWaalsContact O-C 3.25Å; V230-G254 PolarHBondContact O-N 2.66Å; V230-L255 HydrophobicContact CG1-CD2 4.36Å; V230-L255 PolarHBondContact O-N 2.77Å
231K98.5Very high97.5Very high62 Ų6224.4 Ų24.427%0.2714%0.138SC..  trans-104.8-21-177.9-49.3-51.7177.2-166.80112.8D206 L228 N229 G254 L255 K256 F259D206-K231 WeakPolarHBondContact OD2-CA 3.46Å; D206-K231 WeakPolarHBondContact OD2-CB 3.46Å; D206-K231 PolarHBondContact OD2-N 3.19Å; L228-K231 PolarHBondContact O-NZ 3.4Å; N229-K231 PolarHBondContact O-N 3.28Å; K231-G254 WeakPolarHBondContact CD-O 3.33Å; K231-L255 WeakPolarHBondContact O-CA 3.45Å; K231-K256 HydrophobicContact CB-CG 4.11Å; K231-K256 HydrophobicContact CD-CG 4.39Å; K231-K256 PolarHBondContact O-N 3.23Å; K231-F259 HydrophobicContact CB-CD2 3.84Å; K231-F259 HydrophobicContact CB-CE2 3.95Å
232G98.6Very high97.4Very high0 Ų024.6 Ų24.60%014%0.139CC..SBendtrans103.72.117300000115.4D206 S234 F235D206-G232 VanDerWaalsContact OD1-C 3.23Å; D206-G232 VanDerWaalsContact OD1-CA 3.26Å; D206-G232 WeakPolarHBondContact OD1-CA 3.39Å; D206-G232 PolarHBondContact OD1-N 2.59Å; D206-G232 PolarHBondContact OD2-N 3.17Å; D206-G232 VanDerWaalsContact OD2-N 3.13Å; G232-S234 PolarHBondContact O-N 3.18Å; G232-F235 WeakPolarHBondContact O-CB 3.37Å; G232-F235 WeakPolarHBondContact O-CG 3.22Å; G232-F235 PolarHBondContact O-N 2.61Å; G232-F235 VanDerWaalsContact O-N 3.16Å
233S98.5Very high97.2Very high44 Ų4430.9 Ų30.931%0.30817%0.166SC..THydrogen-bonded Turntrans-60.5-30.4176.956.50000112.5D206 F235D206-S233 WeakPolarHBondContact CB-OG 3.41Å; D206-S233 PolarHBondContact OD1-N 3.04Å; D206-S233 PolarHBondContact OD1-OG 3.08Å; S233-F235 VanDerWaalsContact C-N 3.3Å; S233-F235 PolarHBondContact O-N 3.39Å
234S98.2Very high97.2Very high0 Ų035.7 Ų35.70%019%0.187CC..THydrogen-bonded Turntrans-70.2-19.317859.70000114.5D206 V209 G232 T236 L237 L238D206-S234 VanDerWaalsContact O-CB 3.31Å; D206-S234 WeakPolarHBondContact O-CB 3.41Å; D206-S234 VanDerWaalsContact OD1-CB 3.28Å; D206-S234 WeakPolarHBondContact OD1-CB 3.43Å; D206-S234 PolarHBondContact OD1-N 3.34Å; D206-S234 PolarHBondContact OD1-OG 2.76Å; V209-S234 WeakPolarHBondContact CB-OG 3.5Å; V209-S234 WeakPolarHBondContact CG1-OG 3.46Å; G232-S234 PolarHBondContact O-N 3.18Å; S234-T236 VanDerWaalsContact C-N 3.26Å; S234-T236 PolarHBondContact O-N 2.73Å; S234-L237 PolarHBondContact O-N 3.38Å; S234-L237 VanDerWaalsContact O-N 3.1Å; S234-L238 PolarHBondContact O-N 3.13Å
235F98.6Very high97.2Very high1 Ų135.8 Ų35.80%0.00419%0.187CC..Hα-helixtrans-69.6-24.5-169.8-63.6-14.2000113.4L224 V230 G232 S233 L237 L238 I239 L250 L255 M260 V263 W265L224-F235 HydrophobicContact CD1-CE1 4.13Å; V230-F235 HydrophobicContact CG1-CE1 4.12Å; V230-F235 HydrophobicContact CG1-CZ 3.88Å; G232-F235 WeakPolarHBondContact O-CB 3.37Å; G232-F235 WeakPolarHBondContact O-CG 3.22Å; G232-F235 PolarHBondContact O-N 2.61Å; G232-F235 VanDerWaalsContact O-N 3.16Å; S233-F235 VanDerWaalsContact C-N 3.3Å; S233-F235 PolarHBondContact O-N 3.39Å; F235-L237 VanDerWaalsContact C-N 3.33Å; F235-L237 PolarHBondContact O-N 3.26Å; F235-L238 HydrophobicContact CD1-CD2 4.15Å; F235-L238 PolarHBondContact O-N 2.92Å; F235-I239 WeakPolarHBondContact O-CB 3.44Å; F235-I239 WeakPolarHBondContact O-CG1 3.4Å; F235-I239 PolarHBondContact O-N 3.16Å; F235-L250 HydrophobicContact CE1-CD2 4.3Å; F235-L250 HydrophobicContact CE2-CD1 3.66Å; F235-L250 HydrophobicContact CE2-CD2 4.19Å; F235-L250 HydrophobicContact CZ-CD1 3.9Å; F235-L250 HydrophobicContact CZ-CD2 3.53Å; F235-L250 HydrophobicContact CZ-CG 4.38Å; F235-L255 HydrophobicContact CE2-CD2 3.85Å; F235-L255 HydrophobicContact CZ-CD2 4.02Å; F235-M260 HydrophobicContact CD2-CE 4.47Å; F235-M260 HydrophobicContact CD2-SD 3.63Å; F235-M260 HydrophobicContact CE2-CE 4.44Å; F235-M260 HydrophobicContact CE2-SD 3.63Å; F235-V263 HydrophobicContact CB-CG1 4.36Å; F235-V263 HydrophobicContact CB-CG2 3.65Å; F235-W265 HydrophobicContact CD2-CH2 4.26Å; F235-W265 HydrophobicContact CD2-CZ2 4.32Å
236T98Very high97.2Very high59 Ų5936.6 Ų36.636%0.36219%0.192SC..Hα-helixtrans-60.5-46.5172.3-62.50000110.2S234 A240S234-T236 VanDerWaalsContact C-N 3.26Å; S234-T236 PolarHBondContact O-N 2.73Å; T236-A240 VanDerWaalsContact O-CB 3.26Å; T236-A240 WeakPolarHBondContact O-CB 3.44Å; T236-A240 PolarHBondContact O-N 2.96Å
237L97.4Very high97.4Very high59 Ų5934.9 Ų34.931%0.30919%0.185SC..Hα-helixtrans-70.3-39.3177.2-172.263.9000111.5E210 A213 S234 F235 I239 A240 N241E210-L237 HydrophobicContact CB-CD2 3.87Å; E210-L237 HydrophobicContact CG-CD2 4.03Å; A213-L237 HydrophobicContact CB-CD2 4.39Å; A213-L237 HydrophobicContact CB-CG 4.15Å; S234-L237 PolarHBondContact O-N 3.38Å; S234-L237 VanDerWaalsContact O-N 3.1Å; F235-L237 VanDerWaalsContact C-N 3.33Å; F235-L237 PolarHBondContact O-N 3.26Å; L237-I239 PolarHBondContact O-N 3Å; L237-A240 PolarHBondContact O-N 3.05Å; L237-N241 VanDerWaalsContact CD1-ND2 3.31Å; L237-N241 WeakPolarHBondContact CD1-ND2 2.9Å; L237-N241 WeakPolarHBondContact O-CB 3.34Å; L237-N241 PolarHBondContact O-N 3.02Å
238L97.4Very high97.5Very high2 Ų234.9 Ų34.91%0.0119%0.185CC..Hα-helixtrans-57-50.1177.2-17165.9000111.4V209 A213 V222 S234 F235 N241 C242 L245 L248V209-L238 HydrophobicContact CG1-CD2 4.42Å; A213-L238 HydrophobicContact CB-CB 4.28Å; A213-L238 HydrophobicContact CB-CD1 3.89Å; V222-L238 HydrophobicContact CG2-CD1 4.34Å; S234-L238 PolarHBondContact O-N 3.13Å; F235-L238 HydrophobicContact CD1-CD2 4.15Å; F235-L238 PolarHBondContact O-N 2.92Å; L238-N241 PolarHBondContact O-N 3.45Å; L238-C242 HydrophobicContact CD1-CB 4.38Å; L238-C242 VanDerWaalsContact O-CB 3.25Å; L238-C242 WeakPolarHBondContact O-CB 3.32Å; L238-C242 PolarHBondContact O-N 3.38Å; L238-L245 HydrophobicContact CD1-CD2 4.14Å; L238-L245 HydrophobicContact CD2-CD2 3.61Å; L238-L245 HydrophobicContact CG-CD2 3.59Å; L238-L248 HydrophobicContact CD2-CD1 4.19Å
239I97.2Very high97.7Very high7 Ų732 Ų324%0.03617%0.169CC..Hα-helixtrans-69.2-35.5177.6-70.9170.7000111.6F235 L237 N241 K243 V263 W265 N267 I270F235-I239 WeakPolarHBondContact O-CB 3.44Å; F235-I239 WeakPolarHBondContact O-CG1 3.4Å; F235-I239 PolarHBondContact O-N 3.16Å; L237-I239 PolarHBondContact O-N 3Å; I239-N241 VanDerWaalsContact C-N 3.34Å; I239-N241 PolarHBondContact O-N 3.47Å; I239-K243 PolarHBondContact O-NZ 3.48Å; I239-V263 HydrophobicContact CD1-CG1 3.23Å; I239-V263 HydrophobicContact CG1-CG1 4.43Å; I239-W265 HydrophobicContact CD1-CD2 4.12Å; I239-W265 HydrophobicContact CD1-CE3 3.63Å; I239-W265 HydrophobicContact CD1-CH2 4.31Å; I239-W265 HydrophobicContact CD1-CZ3 3.75Å; I239-N267 HydrophobicContact CG2-CB 4.46Å; I239-I270 HydrophobicContact CD1-CD1 4.47Å; I239-I270 HydrophobicContact CG1-CD1 4.36Å
240A96.7Very high97.8Very high47 Ų4729.2 Ų29.239%0.38816%0.155SC..Hα-helixtrans-62-41.417700000112.1T236 L237 K243T236-A240 VanDerWaalsContact O-CB 3.26Å; T236-A240 WeakPolarHBondContact O-CB 3.44Å; T236-A240 PolarHBondContact O-N 2.96Å; L237-A240 PolarHBondContact O-N 3.05Å; A240-K243 WeakPolarHBondContact O-CE 3.24Å; A240-K243 PolarHBondContact O-NZ 2.76Å
241N96.3Very high97.8Very high59 Ų5931.7 Ų31.732%0.31617%0.166SC..Hα-helixtrans-101.6-35.8-170.4-66.2-8.7000114.2A213 L237 L238 I239 K243A213-N241 WeakPolarHBondContact O-CB 2.96Å; A213-N241 PolarHBondContact O-ND2 3.41Å; L237-N241 VanDerWaalsContact CD1-ND2 3.31Å; L237-N241 WeakPolarHBondContact CD1-ND2 2.9Å; L237-N241 WeakPolarHBondContact O-CB 3.34Å; L237-N241 PolarHBondContact O-N 3.02Å; L238-N241 PolarHBondContact O-N 3.45Å; I239-N241 VanDerWaalsContact C-N 3.34Å; I239-N241 PolarHBondContact O-N 3.47Å; N241-K243 PolarHBondContact O-N 3.16Å
242C96.3Very high97.7Very high4 Ų432.1 Ų32.13%0.02717%0.169CC..  trans-9570.5-172.5-59.50000111.7L219 L238 K244 L245L219-C242 HydrophobicContact CB-CB 4.25Å; L238-C242 HydrophobicContact CD1-CB 4.38Å; L238-C242 VanDerWaalsContact O-CB 3.25Å; L238-C242 WeakPolarHBondContact O-CB 3.32Å; L238-C242 PolarHBondContact O-N 3.38Å; C242-K244 PolarHBondContact O-N 3.12Å; C242-L245 HydrophobicContact CB-CB 4.04Å; C242-L245 WeakPolarHBondContact O-CB 3.45Å; C242-L245 PolarHBondContact O-N 3.26Å
243K95.6Very high97.7Very high134 Ų13432.3 Ų32.358%0.58317%0.171SC*.THydrogen-bonded Turntrans-65.7-12.1-174.7-59.2-51.8-172.4-165.80115.6I239 A240 N241I239-K243 PolarHBondContact O-NZ 3.48Å; A240-K243 WeakPolarHBondContact O-CE 3.24Å; A240-K243 PolarHBondContact O-NZ 2.76Å; N241-K243 PolarHBondContact O-N 3.16Å
244K97.4Very high97.7Very high103 Ų10331.2 Ų31.245%0.44817%0.166SC..THydrogen-bonded Turntrans-92-5.5174.7-64.5-173.1-177.5175.80113.2H218 L219 E220 C242 T246H218-K244 PolarHBondContact ND1-NZ 3.27Å; L219-K244 CarbonylContact O-C 3.16Å; L219-K244 WeakPolarHBondContact O-CB 3.37Å; E220-K244 WeakPolarHBondContact CA-O 3.29Å; E220-K244 HydrophobicContact CG-CB 4.06Å; C242-K244 PolarHBondContact O-N 3.12Å; K244-T246 PolarHBondContact O-N 3.1Å
245L98.2Very high97.7Very high4 Ų431.6 Ų31.62%0.02117%0.168CC..  trans-67.1115.3-174.9-175.263.3000110.1L219 V222 L238 C242 T247 G269 I270L219-L245 WeakPolarHBondContact O-CA 3.42Å; L219-L245 PolarHBondContact O-N 2.77Å; V222-L245 HydrophobicContact CB-CD1 4.2Å; V222-L245 HydrophobicContact CG2-CD1 3.8Å; L238-L245 HydrophobicContact CD1-CD2 4.14Å; L238-L245 HydrophobicContact CD2-CD2 3.61Å; L238-L245 HydrophobicContact CG-CD2 3.59Å; C242-L245 HydrophobicContact CB-CB 4.04Å; C242-L245 WeakPolarHBondContact O-CB 3.45Å; C242-L245 PolarHBondContact O-N 3.26Å; L245-T247 WeakPolarHBondContact CD1-O 3.22Å; L245-G269 CarbonylContact O-C 3.59Å; L245-I270 HydrophobicContact CD2-CD1 4.03Å; L245-I270 HydrophobicContact CD2-CG1 4.26Å; L245-I270 HydrophobicContact CG-CD1 4.38Å; L245-I270 HydrophobicContact CG-CG1 4.07Å; L245-I270 PolarHBondContact O-N 3.11Å
246T98.5Very high97.7Very high24 Ų2436.2 Ų36.215%0.14719%0.188CC..  trans-111.5-23.4178.2560000112.9E220 K244 I270 C271 E272E220-T246 PolarHBondContact O-N 3.46Å; E220-T246 PolarHBondContact O-OG1 3.04Å; K244-T246 PolarHBondContact O-N 3.1Å; T246-I270 WeakPolarHBondContact O-CA 3.45Å; T246-C271 PolarHBondContact O-N 3.07Å; T246-E272 PolarHBondContact O-N 2.76Å
247T98.8Very high97.7Very high0 Ų035.8 Ų35.80%018%0.184CC..EExtended strand (participates in β ladder)trans-126.1122.5-170.3-46.20000110.2E220 C221 V222 L245 L249 E272 L484E220-T247 PolarHBondContact O-N 2.97Å; E220-T247 VanDerWaalsContact O-N 3.14Å; C221-T247 WeakPolarHBondContact CA-O 3.43Å; C221-T247 HydrophobicContact CB-CG2 4.43Å; V222-T247 PolarHBondContact N-O 3.48Å; L245-T247 WeakPolarHBondContact CD1-O 3.22Å; T247-L249 HydrophobicContact CG2-CD2 3.81Å; T247-L249 HydrophobicContact CG2-CG 4.08Å; T247-E272 WeakPolarHBondContact CA-O 3.43Å; T247-E272 HydrophobicContact CG2-CB 3.88Å; T247-E272 PolarHBondContact OG1-OE2 3Å; T247-L484 HydrophobicContact CG2-CD2 4.09Å
248L98.8Very high97.8Very high1 Ų139.4 Ų39.41%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-131.1113.8176.4-175.560.8000108.8V222 L238 L250 W265 I270 E272 L273 D274V222-L248 HydrophobicContact CB-CD1 4.02Å; V222-L248 HydrophobicContact CG1-CD1 4.02Å; V222-L248 WeakPolarHBondContact O-CA 3.46Å; L238-L248 HydrophobicContact CD2-CD1 4.19Å; L248-L250 HydrophobicContact CD1-CD2 3.82Å; L248-L250 HydrophobicContact CD1-CG 4.34Å; L248-L250 HydrophobicContact CD2-CD1 3.89Å; L248-L250 HydrophobicContact CD2-CD2 4.4Å; L248-L250 HydrophobicContact CD2-CG 4.32Å; L248-L250 HydrophobicContact CG-CD1 3.98Å; L248-L250 HydrophobicContact CG-CD2 3.89Å; L248-L250 HydrophobicContact CG-CG 3.85Å; L248-W265 HydrophobicContact CD2-CH2 4.06Å; L248-W265 HydrophobicContact CD2-CZ3 4.32Å; L248-I270 HydrophobicContact CB-CD1 3.88Å; L248-I270 HydrophobicContact CB-CG1 4.38Å; L248-I270 HydrophobicContact CB-CG2 4.19Å; L248-I270 HydrophobicContact CD2-CD1 3.75Å; L248-I270 HydrophobicContact CG-CD1 4.43Å; L248-E272 PolarHBondContact N-O 3.01Å; L248-L273 HydrophobicContact CB-CD1 4.38Å; L248-L273 WeakPolarHBondContact O-CA 3.26Å; L248-D274 PolarHBondContact O-N 2.98Å; L248-D274 VanDerWaalsContact O-N 3.12Å
249L98.8Very high97.9Very high4 Ų442.5 Ų42.52%0.02121%0.213CC..EExtended strand (participates in β ladder)trans-111118.9-178.4-45.3179000108.9V222 A223 L224 N225 T247 D274 L484 L490V222-L249 PolarHBondContact O-N 2.87Å; A223-L249 HydrophobicContact CB-CB 4.15Å; A223-L249 HydrophobicContact CB-CD1 3.94Å; A223-L249 HydrophobicContact CB-CG 4.3Å; L224-L249 PolarHBondContact N-O 2.93Å; N225-L249 WeakPolarHBondContact OD1-CB 3.23Å; N225-L249 PolarHBondContact OD1-O 2.77Å; T247-L249 HydrophobicContact CG2-CD2 3.81Å; T247-L249 HydrophobicContact CG2-CG 4.08Å; L249-D274 HydrophobicContact CB-CB 4.29Å; L249-D274 HydrophobicContact CD2-CB 3.86Å; L249-L484 HydrophobicContact CD1-CD1 3.87Å; L249-L484 HydrophobicContact CD2-CD1 4.05Å; L249-L484 HydrophobicContact CD2-CD2 4.22Å; L249-L490 HydrophobicContact CD1-CD1 3.92Å
250L98.7Very high97.9Very high0 Ų042.2 Ų42.20%021%0.211CC..  trans-130.526.4-170.2-52.9173.9000111.5L224 N225 F235 L248 H252 C253 L255 L273 D274 I275L224-L250 HydrophobicContact CB-CD2 4.17Å; L224-L250 HydrophobicContact CD1-CD2 3.93Å; N225-L250 PolarHBondContact OD1-N 3.21Å; F235-L250 HydrophobicContact CE1-CD2 4.3Å; F235-L250 HydrophobicContact CE2-CD1 3.66Å; F235-L250 HydrophobicContact CE2-CD2 4.19Å; F235-L250 HydrophobicContact CZ-CD1 3.9Å; F235-L250 HydrophobicContact CZ-CD2 3.53Å; F235-L250 HydrophobicContact CZ-CG 4.38Å; L248-L250 HydrophobicContact CD1-CD2 3.82Å; L248-L250 HydrophobicContact CD1-CG 4.34Å; L248-L250 HydrophobicContact CD2-CD1 3.89Å; L248-L250 HydrophobicContact CD2-CD2 4.4Å; L248-L250 HydrophobicContact CD2-CG 4.32Å; L248-L250 HydrophobicContact CG-CD1 3.98Å; L248-L250 HydrophobicContact CG-CD2 3.89Å; L248-L250 HydrophobicContact CG-CG 3.85Å; L250-H252 PolarHBondContact O-N 3.07Å; L250-C253 HydrophobicContact CB-CB 4.3Å; L250-C253 PolarHBondContact O-N 3.12Å; L250-C253 VanDerWaalsContact O-N 3.1Å; L250-L255 HydrophobicContact CB-CD1 4.16Å; L250-L255 HydrophobicContact CD1-CD1 3.85Å; L250-L255 HydrophobicContact CD1-CD2 4.41Å; L250-L273 HydrophobicContact CD1-CD1 4.41Å; L250-D274 CarbonylContact C-O 3.56Å; L250-D274 WeakPolarHBondContact CA-O 3.49Å; L250-D274 VanDerWaalsContact CB-O 3.3Å; L250-D274 WeakPolarHBondContact CB-O 3.06Å; L250-D274 PolarHBondContact N-O 3.4Å; L250-I275 HydrophobicContact CD1-CG2 4.45Å
251E97.9Very high98Very high51 Ų5142.4 Ų42.424%0.23821%0.205CC..THydrogen-bonded Turntrans-53.8126.7179.4179.8178.3-16900109.4N225 F226 C253 T276N225-E251 CarbonylContact C-O 3.54Å; N225-E251 VanDerWaalsContact CA-O 3.28Å; N225-E251 WeakPolarHBondContact CA-O 3.49Å; N225-E251 HydrophobicContact CB-CB 3.98Å; N225-E251 PolarHBondContact ND2-OE2 2.83Å; N225-E251 PolarHBondContact OD1-N 2.89Å; F226-E251 HydrophobicContact CE2-CG 4.27Å; F226-E251 HydrophobicContact CZ-CG 3.98Å; F226-E251 PolarHBondContact N-O 3.34Å; E251-C253 PolarHBondContact O-N 2.92Å; E251-C253 VanDerWaalsContact O-N 3.16Å; E251-T276 CarbonylContact C-O 3.54Å; E251-T276 VanDerWaalsContact CA-O 3.31Å; E251-T276 WeakPolarHBondContact CA-O 3.38Å; E251-T276 HydrophobicContact CG-CG2 4.18Å
252H96.8Very high98.1Very high71 Ų7142.9 Ų42.933%0.32922%0.217SC..THydrogen-bonded Turntrans54.931.3179.5-150.545.1000114.8F167 F226 L228 L250 T276 S277F167-H252 AromaticContact CZ-CD2 3.9Å; F226-H252 HydrophobicContact CD1-CB 3.72Å; F226-H252 AromaticContact CD1-CD2 3.86Å; F226-H252 HydrophobicContact CE1-CB 3.89Å; F226-H252 HydrophobicContact CG-CB 4.47Å; L228-H252 VanDerWaalsContact CD2-O 3.31Å; L228-H252 WeakPolarHBondContact CD2-O 3.43Å; L250-H252 PolarHBondContact O-N 3.07Å; H252-T276 PolarHBondContact N-O 2.98Å; H252-S277 PolarHBondContact ND1-O 3.17Å
253C98.1Very high98.2Very high5 Ų542.7 Ų42.73%0.03422%0.215CC..  trans-77.8150.1166.4-71.80000111.4L224 L250 E251 L255L224-C253 PolarHBondContact O-SG 3.37Å; L250-C253 HydrophobicContact CB-CB 4.3Å; L250-C253 PolarHBondContact O-N 3.12Å; L250-C253 VanDerWaalsContact O-N 3.1Å; E251-C253 PolarHBondContact O-N 2.92Å; E251-C253 VanDerWaalsContact O-N 3.16Å; C253-L255 HydrophobicContact CB-CD1 4.49Å; C253-L255 HydrophobicContact CB-CD2 3.75Å; C253-L255 HydrophobicContact CB-CG 3.75Å; C253-L255 PolarHBondContact O-N 2.78Å
254G97.5Very high98.3Very high21 Ų2137.9 Ų37.922%0.21620%0.198CC..  trans-7941.1177.500000114.6L228 V230 K231L228-G254 WeakPolarHBondContact O-CA 3.4Å; L228-G254 PolarHBondContact O-N 2.85Å; V230-G254 CarbonylContact O-C 3.47Å; V230-G254 VanDerWaalsContact O-C 3.25Å; V230-G254 PolarHBondContact O-N 2.66Å; K231-G254 WeakPolarHBondContact CD-O 3.33Å
255L98.7Very high98.4Very high7 Ų733 Ų334%0.03718%0.176CC..  trans-55.8149-172.4-56.1179.1000112.6V230 K231 F235 L250 C253 M260 T278 L280V230-L255 HydrophobicContact CG1-CD2 4.36Å; V230-L255 PolarHBondContact O-N 2.77Å; K231-L255 WeakPolarHBondContact O-CA 3.45Å; F235-L255 HydrophobicContact CE2-CD2 3.85Å; F235-L255 HydrophobicContact CZ-CD2 4.02Å; L250-L255 HydrophobicContact CB-CD1 4.16Å; L250-L255 HydrophobicContact CD1-CD1 3.85Å; L250-L255 HydrophobicContact CD1-CD2 4.41Å; C253-L255 HydrophobicContact CB-CD1 4.49Å; C253-L255 HydrophobicContact CB-CD2 3.75Å; C253-L255 HydrophobicContact CB-CG 3.75Å; C253-L255 PolarHBondContact O-N 2.78Å; L255-M260 HydrophobicContact CB-CG 4.29Å; L255-M260 HydrophobicContact CD1-CE 4.26Å; L255-M260 HydrophobicContact CD1-SD 4.15Å; L255-M260 HydrophobicContact CD2-SD 4.34Å; L255-T278 HydrophobicContact CD1-CG2 3.82Å; L255-T278 HydrophobicContact CG-CG2 4.33Å; L255-L280 HydrophobicContact CB-CD2 3.78Å; L255-L280 HydrophobicContact CB-CG 4.27Å; L255-L280 HydrophobicContact CD1-CD1 4.08Å
256K98.6Very high98.4Very high98 Ų9837.3 Ų37.343%0.42620%0.197SC..  trans-118.7137.2176.3-60.2-63.4177.7-169.90111.7K231 E258 F259 M260K231-K256 HydrophobicContact CB-CG 4.11Å; K231-K256 HydrophobicContact CD-CG 4.39Å; K231-K256 PolarHBondContact O-N 3.23Å; K256-E258 VanDerWaalsContact C-N 3.32Å; K256-E258 HydrophobicContact CB-CG 4.32Å; K256-E258 PolarHBondContact O-N 2.83Å; K256-F259 HydrophobicContact CB-CD2 3.81Å; K256-F259 HydrophobicContact CB-CE2 4.27Å; K256-F259 HydrophobicContact CG-CD2 4.33Å; K256-F259 HydrophobicContact CG-CE2 4.43Å; K256-F259 PolarHBondContact O-N 3.31Å; K256-M260 WeakPolarHBondContact O-CG 3.11Å; K256-M260 PolarHBondContact O-N 2.88Å
257D98.8Very high98.3Very high51 Ų5141.2 Ų41.227%0.27322%0.216SC..Hα-helixtrans-51.7-48.8-177.6-747.3000112.9F259 M260 M261 L280 S281 C284D257-F259 VanDerWaalsContact C-N 3.3Å; D257-F259 PolarHBondContact O-N 3.01Å; D257-M260 PolarHBondContact O-N 2.91Å; D257-M261 WeakPolarHBondContact O-CB 3.49Å; D257-M261 VanDerWaalsContact O-CG 3.24Å; D257-M261 WeakPolarHBondContact O-CG 3.41Å; D257-M261 PolarHBondContact O-N 2.69Å; D257-L280 WeakPolarHBondContact OD1-CA 3.5Å; D257-L280 WeakPolarHBondContact OD1-CD2 3.42Å; D257-S281 PolarHBondContact OD1-N 3.02Å; D257-S281 VanDerWaalsContact OD1-N 3.12Å; D257-S281 WeakPolarHBondContact OD2-CB 3.02Å; D257-S281 PolarHBondContact OD2-N 3.24Å; D257-S281 PolarHBondContact OD2-OG 3.01Å; D257-C284 HydrophobicContact CB-CB 3.86Å; D257-C284 VanDerWaalsContact CG-CB 3.44Å; D257-C284 WeakPolarHBondContact OD1-CB 3.34Å
258E98.6Very high98.1Very high134 Ų13441.7 Ų41.763%0.62622%0.22SC*.Hα-helixtrans-56.9-42.1-177.763-174.8175.300112.6K256 A262K256-E258 VanDerWaalsContact C-N 3.32Å; K256-E258 HydrophobicContact CB-CG 4.32Å; K256-E258 PolarHBondContact O-N 2.83Å; E258-A262 WeakPolarHBondContact O-CB 3.11Å; E258-A262 PolarHBondContact O-N 3.42Å
259F98.8Very high98Very high68 Ų6843.5 Ų43.530%0.29824%0.239SC..Hα-helixtrans-74.7-44.5-179.6-62-42.7000110.9K231 K256 D257 M261 A262 V263K231-F259 HydrophobicContact CB-CD2 3.84Å; K231-F259 HydrophobicContact CB-CE2 3.95Å; K256-F259 HydrophobicContact CB-CD2 3.81Å; K256-F259 HydrophobicContact CB-CE2 4.27Å; K256-F259 HydrophobicContact CG-CD2 4.33Å; K256-F259 HydrophobicContact CG-CE2 4.43Å; K256-F259 PolarHBondContact O-N 3.31Å; D257-F259 VanDerWaalsContact C-N 3.3Å; D257-F259 PolarHBondContact O-N 3.01Å; F259-M261 VanDerWaalsContact C-N 3.27Å; F259-M261 PolarHBondContact O-N 2.88Å; F259-A262 PolarHBondContact O-N 2.63Å; F259-A262 VanDerWaalsContact O-N 3.15Å; F259-V263 VanDerWaalsContact O-CG2 3.28Å; F259-V263 WeakPolarHBondContact O-CG2 3.31Å; F259-V263 PolarHBondContact O-N 2.93Å
260M98.7Very high98Very high0 Ų043.4 Ų43.40%024%0.238CC..Hα-helixtrans-60.5-38.4177-67.6-58.4-7000111.8F235 L255 K256 D257 W265 L280 C284 F288F235-M260 HydrophobicContact CD2-CE 4.47Å; F235-M260 HydrophobicContact CD2-SD 3.63Å; F235-M260 HydrophobicContact CE2-CE 4.44Å; F235-M260 HydrophobicContact CE2-SD 3.63Å; L255-M260 HydrophobicContact CB-CG 4.29Å; L255-M260 HydrophobicContact CD1-CE 4.26Å; L255-M260 HydrophobicContact CD1-SD 4.15Å; L255-M260 HydrophobicContact CD2-SD 4.34Å; K256-M260 WeakPolarHBondContact O-CG 3.11Å; K256-M260 PolarHBondContact O-N 2.88Å; D257-M260 PolarHBondContact O-N 2.91Å; M260-W265 HydrophobicContact CE-CH2 4.03Å; M260-W265 HydrophobicContact CE-CZ2 3.47Å; M260-W265 VanDerWaalsContact CE-CZ2 3.47Å; M260-W265 PolarHBondContact O-NE1 3.27Å; M260-W265 HydrophobicContact SD-CZ2 4.13Å; M260-L280 HydrophobicContact CE-CD1 4.47Å; M260-L280 HydrophobicContact CG-CD1 4.28Å; M260-L280 HydrophobicContact CG-CD2 3.93Å; M260-C284 VanDerWaalsContact CB-SG 3.6Å; M260-F288 HydrophobicContact CE-CD1 4.43Å; M260-F288 HydrophobicContact CE-CD2 4.23Å; M260-F288 HydrophobicContact CE-CE1 4.17Å; M260-F288 HydrophobicContact CE-CE2 3.95Å; M260-F288 HydrophobicContact CE-CG 4.48Å; M260-F288 HydrophobicContact CE-CZ 3.94Å
261M98.6Very high98Very high52 Ų5243.4 Ų43.426%0.25624%0.238SC..Hα-helixtrans-74.5-27.6176.7-67.3172.776.200113.1D257 F259 V263 E283 C284 N287 R291D257-M261 WeakPolarHBondContact O-CB 3.49Å; D257-M261 VanDerWaalsContact O-CG 3.24Å; D257-M261 WeakPolarHBondContact O-CG 3.41Å; D257-M261 PolarHBondContact O-N 2.69Å; F259-M261 VanDerWaalsContact C-N 3.27Å; F259-M261 PolarHBondContact O-N 2.88Å; M261-V263 VanDerWaalsContact C-N 3.32Å; M261-V263 PolarHBondContact O-N 3.49Å; M261-E283 HydrophobicContact CE-CG 4.29Å; M261-C284 HydrophobicContact CG-CB 4.28Å; M261-C284 HydrophobicContact SD-CB 4.21Å; M261-N287 HydrophobicContact CE-CB 3.92Å; M261-N287 HydrophobicContact CG-CB 4.08Å; M261-R291 PolarHBondContact O-NH2 3.37Å
262A98.5Very high98.1Very high68 Ų6841.3 Ų41.356%0.56223%0.228SC*.Hα-helixtrans-72.3-25.2178.300000113.7E258 F259E258-A262 WeakPolarHBondContact O-CB 3.11Å; E258-A262 PolarHBondContact O-N 3.42Å; F259-A262 PolarHBondContact O-N 2.63Å; F259-A262 VanDerWaalsContact O-N 3.15Å
263V98.5Very high98.1Very high0 Ų037.9 Ų37.90%021%0.213CC..SBendtrans-67.2135.1-176.5172.80000111F235 I239 F259 M261 W265 R291F235-V263 HydrophobicContact CB-CG1 4.36Å; F235-V263 HydrophobicContact CB-CG2 3.65Å; I239-V263 HydrophobicContact CD1-CG1 3.23Å; I239-V263 HydrophobicContact CG1-CG1 4.43Å; F259-V263 VanDerWaalsContact O-CG2 3.28Å; F259-V263 WeakPolarHBondContact O-CG2 3.31Å; F259-V263 PolarHBondContact O-N 2.93Å; M261-V263 VanDerWaalsContact C-N 3.32Å; M261-V263 PolarHBondContact O-N 3.49Å; V263-W265 VanDerWaalsContact C-N 3.28Å; V263-W265 HydrophobicContact CB-CD2 4.39Å; V263-W265 HydrophobicContact CB-CG 4.48Å; V263-W265 HydrophobicContact CB-CZ2 4.09Å; V263-W265 HydrophobicContact CG1-CD2 3.75Å; V263-W265 VanDerWaalsContact CG1-CE2 3.45Å; V263-W265 HydrophobicContact CG1-CE3 4.34Å; V263-W265 HydrophobicContact CG1-CG 4.04Å; V263-W265 HydrophobicContact CG1-CH2 4.39Å; V263-W265 HydrophobicContact CG1-CZ2 3.8Å; V263-W265 HydrophobicContact CG2-CZ2 4.36Å; V263-W265 PolarHBondContact O-N 3.1Å; V263-R291 PolarHBondContact O-NH1 2.97Å; V263-R291 PolarHBondContact O-NH2 3.16Å
264P98Very high98.2Very high33 Ų3338.1 Ų38.121%0.21421%0.214CC..  trans-81.968.8178.834.2-36.8000111.5E266 N267P264-E266 PolarHBondContact O-N 3.13Å; P264-E266 VanDerWaalsContact O-N 3.13Å; P264-N267 WeakPolarHBondContact O-CB 3.32Å; P264-N267 PolarHBondContact O-N 3.05Å
265W98.4Very high98.2Very high0 Ų037.1 Ų37.10%020%0.203CC..G310 helixtrans-57.8-26.1-174.7-68100.6000114.6F235 I239 L248 M260 V263 N267 S268 I270 F288 R291 I292F235-W265 HydrophobicContact CD2-CH2 4.26Å; F235-W265 HydrophobicContact CD2-CZ2 4.32Å; I239-W265 HydrophobicContact CD1-CD2 4.12Å; I239-W265 HydrophobicContact CD1-CE3 3.63Å; I239-W265 HydrophobicContact CD1-CH2 4.31Å; I239-W265 HydrophobicContact CD1-CZ3 3.75Å; L248-W265 HydrophobicContact CD2-CH2 4.06Å; L248-W265 HydrophobicContact CD2-CZ3 4.32Å; M260-W265 HydrophobicContact CE-CH2 4.03Å; M260-W265 HydrophobicContact CE-CZ2 3.47Å; M260-W265 VanDerWaalsContact CE-CZ2 3.47Å; M260-W265 PolarHBondContact O-NE1 3.27Å; M260-W265 HydrophobicContact SD-CZ2 4.13Å; V263-W265 VanDerWaalsContact C-N 3.28Å; V263-W265 HydrophobicContact CB-CD2 4.39Å; V263-W265 HydrophobicContact CB-CG 4.48Å; V263-W265 HydrophobicContact CB-CZ2 4.09Å; V263-W265 HydrophobicContact CG1-CD2 3.75Å; V263-W265 VanDerWaalsContact CG1-CE2 3.45Å; V263-W265 HydrophobicContact CG1-CE3 4.34Å; V263-W265 HydrophobicContact CG1-CG 4.04Å; V263-W265 HydrophobicContact CG1-CH2 4.39Å; V263-W265 HydrophobicContact CG1-CZ2 3.8Å; V263-W265 HydrophobicContact CG2-CZ2 4.36Å; V263-W265 PolarHBondContact O-N 3.1Å; W265-N267 PolarHBondContact O-N 3.09Å; W265-S268 WeakPolarHBondContact O-CB 3.3Å; W265-S268 PolarHBondContact O-N 2.75Å; W265-I270 HydrophobicContact CZ3-CD1 3.87Å; W265-F288 HydrophobicContact CD2-CD2 4.08Å; W265-F288 AromaticContact CE2-CD2 3.76Å; W265-F288 HydrophobicContact CG-CB 4.39Å; W265-F288 HydrophobicContact CG-CD2 4.36Å; W265-F288 HydrophobicContact CZ2-CD2 4.15Å; W265-F288 AromaticContact NE1-CD2 3.8Å; W265-F288 AromaticContact NE1-CG 3.97Å; W265-R291 HydrophobicContact CB-CB 3.86Å; W265-I292 HydrophobicContact CB-CG1 3.91Å; W265-I292 HydrophobicContact CD2-CD1 4.37Å; W265-I292 HydrophobicContact CD2-CG1 4.16Å; W265-I292 HydrophobicContact CE3-CD1 3.87Å; W265-I292 HydrophobicContact CE3-CG1 3.84Å; W265-I292 HydrophobicContact CG-CG1 4.22Å; W265-I292 HydrophobicContact CZ3-CD1 4.34Å
266E97.6Very high98.2Very high96 Ų9637.2 Ų37.245%0.44920%0.204SC..G310 helixtrans-60.9-22.8174.562.8-82.8-172.700113.5P264 R291P264-E266 PolarHBondContact O-N 3.13Å; P264-E266 VanDerWaalsContact O-N 3.13Å; E266-R291 VanDerWaalsContact CA-O 3.23Å; E266-R291 WeakPolarHBondContact CA-O 3.33Å; E266-R291 PolarHBondContact N-O 3.27Å; E266-R291 IonicContact OE2-NH1 2.82Å; E266-R291 PolarHBondContact OE2-NH1 3.33Å
267N96.9Very high98.2Very high105 Ų10534.3 Ų34.356%0.56120%0.196SC*.G310 helixtrans-92.92.9176.1-63.5-42.8000113I239 P264 W265I239-N267 HydrophobicContact CG2-CB 4.46Å; P264-N267 WeakPolarHBondContact O-CB 3.32Å; P264-N267 PolarHBondContact O-N 3.05Å; W265-N267 PolarHBondContact O-N 3.09Å
268S94.9Very high98.2Very high11 Ų1132.2 Ų32.28%0.07719%0.185CC..  trans-83.4142.5-175.3-168.70000112.7W265 I270W265-S268 WeakPolarHBondContact O-CB 3.3Å; W265-S268 PolarHBondContact O-N 2.75Å; S268-I270 VanDerWaalsContact C-N 3.32Å; S268-I270 VanDerWaalsContact OG-CB 3.28Å; S268-I270 WeakPolarHBondContact OG-CB 3.37Å; S268-I270 WeakPolarHBondContact OG-CD1 3.41Å; S268-I270 VanDerWaalsContact OG-CG1 3.23Å; S268-I270 WeakPolarHBondContact OG-CG1 3.09Å; S268-I270 PolarHBondContact OG-N 2.97Å
269G97.1Very high98.1Very high38 Ų3834 Ų3439%0.39219%0.193SC..  trans-86.8-2.6165.600000113.6L245 C271L245-G269 CarbonylContact O-C 3.59Å; G269-C271 PolarHBondContact O-N 2.82Å
270I98.5Very high98.1Very high2 Ų230.7 Ų30.71%0.0118%0.179CC..  trans-64.1124.7-178-64.9165.3000109.2I239 L245 T246 L248 W265 S268 L273 I292I239-I270 HydrophobicContact CD1-CD1 4.47Å; I239-I270 HydrophobicContact CG1-CD1 4.36Å; L245-I270 HydrophobicContact CD2-CD1 4.03Å; L245-I270 HydrophobicContact CD2-CG1 4.26Å; L245-I270 HydrophobicContact CG-CD1 4.38Å; L245-I270 HydrophobicContact CG-CG1 4.07Å; L245-I270 PolarHBondContact O-N 3.11Å; T246-I270 WeakPolarHBondContact O-CA 3.45Å; L248-I270 HydrophobicContact CB-CD1 3.88Å; L248-I270 HydrophobicContact CB-CG1 4.38Å; L248-I270 HydrophobicContact CB-CG2 4.19Å; L248-I270 HydrophobicContact CD2-CD1 3.75Å; L248-I270 HydrophobicContact CG-CD1 4.43Å; W265-I270 HydrophobicContact CZ3-CD1 3.87Å; S268-I270 VanDerWaalsContact C-N 3.32Å; S268-I270 VanDerWaalsContact OG-CB 3.28Å; S268-I270 WeakPolarHBondContact OG-CB 3.37Å; S268-I270 WeakPolarHBondContact OG-CD1 3.41Å; S268-I270 VanDerWaalsContact OG-CG1 3.23Å; S268-I270 WeakPolarHBondContact OG-CG1 3.09Å; S268-I270 PolarHBondContact OG-N 2.97Å; I270-L273 HydrophobicContact CG2-CB 4.47Å; I270-I292 WeakPolarHBondContact O-CG2 3.27Å
271C98.7Very high98Very high1 Ų132.3 Ų32.31%0.00719%0.19CC..  trans-136.40.4176.160.10000112.3T246 G269 Y294 T296 Y297T246-C271 PolarHBondContact O-N 3.07Å; G269-C271 PolarHBondContact O-N 2.82Å; C271-Y294 HydrophobicContact CB-CD2 4.01Å; C271-Y294 HydrophobicContact CB-CE2 3.58Å; C271-T296 HydrophobicContact CB-CG2 4.23Å; C271-T296 WeakPolarHBondContact O-CA 3.44Å; C271-T296 PolarHBondContact O-N 2.86Å; C271-T296 PolarHBondContact O-OG1 3.5Å; C271-Y297 PolarHBondContact O-N 3.04Å
272E98.9Very high98Very high6 Ų631.3 Ų31.33%0.02819%0.19CC..EExtended strand (participates in β ladder)trans-123104.5169.8-60-178.5159.500107.9T246 T247 L248 T296 Y297 L484 R485T246-E272 PolarHBondContact O-N 2.76Å; T247-E272 WeakPolarHBondContact CA-O 3.43Å; T247-E272 HydrophobicContact CG2-CB 3.88Å; T247-E272 PolarHBondContact OG1-OE2 3Å; L248-E272 PolarHBondContact N-O 3.01Å; E272-T296 VanDerWaalsContact CG-OG1 3.31Å; E272-T296 WeakPolarHBondContact CG-OG1 3.38Å; E272-Y297 WeakPolarHBondContact CA-O 3.34Å; E272-L484 HydrophobicContact CB-CD2 3.86Å; E272-L484 HydrophobicContact CG-CD2 4.26Å; E272-R485 WeakPolarHBondContact OE1-CB 3.3Å; E272-R485 PolarHBondContact OE1-N 3.23Å; E272-R485 PolarHBondContact OE2-N 2.95Å
273L98.9Very high98Very high0 Ų034.7 Ų34.70%020%0.195CC..EExtended strand (participates in β ladder)trans-123.1133.2-174.6179.767000110.4L248 L250 I270 I275 F288 L289 I292 F295 Y297 L298 A299L248-L273 HydrophobicContact CB-CD1 4.38Å; L248-L273 WeakPolarHBondContact O-CA 3.26Å; L250-L273 HydrophobicContact CD1-CD1 4.41Å; I270-L273 HydrophobicContact CG2-CB 4.47Å; L273-I275 HydrophobicContact CD1-CG2 3.96Å; L273-I275 HydrophobicContact CD2-CG2 4.11Å; L273-I275 HydrophobicContact CG-CG2 3.97Å; L273-F288 HydrophobicContact CD2-CE2 3.78Å; L273-F288 HydrophobicContact CD2-CZ 4.17Å; L273-L289 HydrophobicContact CD2-CD2 3.71Å; L273-I292 HydrophobicContact CD2-CD1 3.83Å; L273-F295 HydrophobicContact CB-CD1 4.45Å; L273-F295 HydrophobicContact CB-CE1 4.19Å; L273-F295 HydrophobicContact CD2-CE1 4.04Å; L273-Y297 PolarHBondContact N-O 3.4Å; L273-L298 HydrophobicContact CB-CD1 4.38Å; L273-L298 HydrophobicContact CD2-CD1 4.24Å; L273-L298 WeakPolarHBondContact O-CA 3.5Å; L273-A299 PolarHBondContact O-N 3.17Å
274D98.8Very high98Very high10 Ų1034.7 Ų34.75%0.05320%0.195CC..EExtended strand (participates in β ladder)trans-122.8121.3168.5-160.3-27.9000109.8L248 L249 L250 T276 A299L248-D274 PolarHBondContact O-N 2.98Å; L248-D274 VanDerWaalsContact O-N 3.12Å; L249-D274 HydrophobicContact CB-CB 4.29Å; L249-D274 HydrophobicContact CD2-CB 3.86Å; L250-D274 CarbonylContact C-O 3.56Å; L250-D274 WeakPolarHBondContact CA-O 3.49Å; L250-D274 VanDerWaalsContact CB-O 3.3Å; L250-D274 WeakPolarHBondContact CB-O 3.06Å; L250-D274 PolarHBondContact N-O 3.4Å; D274-T276 WeakPolarHBondContact OD1-CB 3.42Å; D274-T276 PolarHBondContact OD1-N 3.11Å; D274-T276 PolarHBondContact OD1-OG1 3.2Å; D274-A299 HydrophobicContact CB-CB 4.16Å; D274-A299 VanDerWaalsContact CG-CB 3.48Å; D274-A299 WeakPolarHBondContact OD1-CB 3.31Å
275I98.7Very high98.1Very high0 Ų033.1 Ų33.10%018%0.184CC..  trans-127.822.9176.955.3162.8000111L250 L273 T278 L285 F288 A299 A300 T303L250-I275 HydrophobicContact CD1-CG2 4.45Å; L273-I275 HydrophobicContact CD1-CG2 3.96Å; L273-I275 HydrophobicContact CD2-CG2 4.11Å; L273-I275 HydrophobicContact CG-CG2 3.97Å; I275-T278 HydrophobicContact CB-CG2 4.28Å; I275-T278 WeakPolarHBondContact O-CB 3.4Å; I275-T278 VanDerWaalsContact O-CG2 3.28Å; I275-T278 WeakPolarHBondContact O-CG2 3.37Å; I275-T278 PolarHBondContact O-N 2.77Å; I275-T278 PolarHBondContact O-OG1 3.34Å; I275-L285 HydrophobicContact CD1-CD2 3.48Å; I275-L285 VanDerWaalsContact CD1-CD2 3.48Å; I275-F288 HydrophobicContact CD1-CZ 4.23Å; I275-F288 HydrophobicContact CG2-CZ 4.32Å; I275-A299 WeakPolarHBondContact CG1-O 3.36Å; I275-A299 PolarHBondContact N-O 3.19Å; I275-A300 HydrophobicContact CD1-CB 4.14Å; I275-A300 HydrophobicContact CG1-CB 4Å; I275-T303 PolarHBondContact O-OG1 2.82Å
276T98.6Very high98.1Very high9 Ų936.3 Ų36.36%0.05520%0.199CC..THydrogen-bonded Turntrans-54.9138.3179.3-61.80000110.1E251 H252 D274 T278 G301E251-T276 CarbonylContact C-O 3.54Å; E251-T276 VanDerWaalsContact CA-O 3.31Å; E251-T276 WeakPolarHBondContact CA-O 3.38Å; E251-T276 HydrophobicContact CG-CG2 4.18Å; H252-T276 PolarHBondContact N-O 2.98Å; D274-T276 WeakPolarHBondContact OD1-CB 3.42Å; D274-T276 PolarHBondContact OD1-N 3.11Å; D274-T276 PolarHBondContact OD1-OG1 3.2Å; T276-T278 VanDerWaalsContact C-N 3.26Å; T276-T278 PolarHBondContact O-N 3.24Å; T276-G301 CarbonylContact C-O 3.58Å; T276-G301 WeakPolarHBondContact CA-O 3.38Å; T276-G301 VanDerWaalsContact CG2-O 3.26Å; T276-G301 WeakPolarHBondContact CG2-O 3.34Å; T276-G301 PolarHBondContact OG1-N 3.2Å; T276-G301 VanDerWaalsContact OG1-N 3.16Å
277S97.9Very high98.1Very high37 Ų3734.3 Ų34.326%0.25919%0.192SC..THydrogen-bonded Turntrans57.731.3178.1-540000115.1H252 G301 H302H252-S277 PolarHBondContact ND1-O 3.17Å; S277-G301 PolarHBondContact N-O 3.25Å; S277-H302 WeakPolarHBondContact OG-CB 3.43Å
278T98.1Very high98.2Very high7 Ų729.3 Ų29.34%0.04317%0.165CC..  trans-95.8149.4170.2620000111.3L255 I275 T276 L280L255-T278 HydrophobicContact CD1-CG2 3.82Å; L255-T278 HydrophobicContact CG-CG2 4.33Å; I275-T278 HydrophobicContact CB-CG2 4.28Å; I275-T278 WeakPolarHBondContact O-CB 3.4Å; I275-T278 VanDerWaalsContact O-CG2 3.28Å; I275-T278 WeakPolarHBondContact O-CG2 3.37Å; I275-T278 PolarHBondContact O-N 2.77Å; I275-T278 PolarHBondContact O-OG1 3.34Å; T276-T278 VanDerWaalsContact C-N 3.26Å; T276-T278 PolarHBondContact O-N 3.24Å; T278-L280 VanDerWaalsContact C-N 3.31Å; T278-L280 PolarHBondContact O-N 2.93Å
279E96.5Very high98.4Very high170 Ų17028.8 Ų28.879%0.79416%0.161SC*.  trans-92.927-178-60.5-173.8163.900113.5
280L98.5Very high98.4Very high0 Ų028.9 Ų28.90%015%0.154CC..  trans-69138.1-178-64.8175.9000111.4L255 D257 M260 T278 L285 F288 F305L255-L280 HydrophobicContact CB-CD2 3.78Å; L255-L280 HydrophobicContact CB-CG 4.27Å; L255-L280 HydrophobicContact CD1-CD1 4.08Å; D257-L280 WeakPolarHBondContact OD1-CA 3.5Å; D257-L280 WeakPolarHBondContact OD1-CD2 3.42Å; M260-L280 HydrophobicContact CE-CD1 4.47Å; M260-L280 HydrophobicContact CG-CD1 4.28Å; M260-L280 HydrophobicContact CG-CD2 3.93Å; T278-L280 VanDerWaalsContact C-N 3.31Å; T278-L280 PolarHBondContact O-N 2.93Å; L280-L285 HydrophobicContact CB-CD2 4.13Å; L280-L285 HydrophobicContact CB-CG 4.11Å; L280-L285 HydrophobicContact CD1-CD2 4.3Å; L280-F288 HydrophobicContact CD1-CE1 3.9Å; L280-F288 HydrophobicContact CD1-CZ 4.47Å; L280-F305 VanDerWaalsContact O-CD2 3.29Å; L280-F305 WeakPolarHBondContact O-CD2 3.15Å
281S98.4Very high98.4Very high34 Ų3431.7 Ų31.724%0.23817%0.165CC..  trans-69.7162.7177.874.60000112.8D257 E283 C284 L285D257-S281 PolarHBondContact OD1-N 3.02Å; D257-S281 VanDerWaalsContact OD1-N 3.12Å; D257-S281 WeakPolarHBondContact OD2-CB 3.02Å; D257-S281 PolarHBondContact OD2-N 3.24Å; D257-S281 PolarHBondContact OD2-OG 3.01Å; S281-E283 VanDerWaalsContact C-N 3.28Å; S281-E283 PolarHBondContact O-N 3.38Å; S281-C284 PolarHBondContact O-N 3.36Å; S281-C284 PolarHBondContact OG-N 3.43Å; S281-L285 VanDerWaalsContact O-CG 3.27Å; S281-L285 WeakPolarHBondContact O-CG 3.26Å; S281-L285 PolarHBondContact O-N 3.1Å
282A98.4Very high98.4Very high31 Ų3131.7 Ų31.726%0.25616%0.164SC..Hα-helixtrans-59.2-38.6175.400000112.4L285 E286 F305 T307 I310A282-L285 PolarHBondContact O-N 3.38Å; A282-E286 WeakPolarHBondContact O-CB 3.45Å; A282-E286 PolarHBondContact O-N 2.99Å; A282-F305 HydrophobicContact CB-CB 4.15Å; A282-T307 HydrophobicContact CB-CG2 4.3Å; A282-I310 HydrophobicContact CB-CD1 4.17Å
283E98.5Very high98.4Very high139 Ų13934.1 Ų34.165%0.6518%0.181SC*.Hα-helixtrans-63.6-45.1177.4-179-179.7173.100111.1M261 S281 N287M261-E283 HydrophobicContact CE-CG 4.29Å; S281-E283 VanDerWaalsContact C-N 3.28Å; S281-E283 PolarHBondContact O-N 3.38Å; E283-N287 VanDerWaalsContact O-CB 3.25Å; E283-N287 WeakPolarHBondContact O-CB 3.31Å; E283-N287 PolarHBondContact O-N 3.21Å
284C98.7Very high98.4Very high0 Ų037.8 Ų37.80%020%0.195CC..Hα-helixtrans-60.9-52.5176.4-179.90000111.1D257 M260 M261 S281 E286 N287 F288D257-C284 HydrophobicContact CB-CB 3.86Å; D257-C284 VanDerWaalsContact CG-CB 3.44Å; D257-C284 WeakPolarHBondContact OD1-CB 3.34Å; M260-C284 VanDerWaalsContact CB-SG 3.6Å; M261-C284 HydrophobicContact CG-CB 4.28Å; M261-C284 HydrophobicContact SD-CB 4.21Å; S281-C284 PolarHBondContact O-N 3.36Å; S281-C284 PolarHBondContact OG-N 3.43Å; C284-E286 VanDerWaalsContact C-N 3.33Å; C284-E286 PolarHBondContact O-N 3.19Å; C284-N287 WeakPolarHBondContact O-CB 3.41Å; C284-N287 PolarHBondContact O-N 2.84Å; C284-N287 VanDerWaalsContact O-N 3.11Å; C284-F288 VanDerWaalsContact O-CD1 3.24Å; C284-F288 WeakPolarHBondContact O-CD1 3.18Å; C284-F288 PolarHBondContact O-N 2.75Å
285L98.8Very high98.3Very high0 Ų037.3 Ų37.30%019%0.193CC..Hα-helixtrans-54.3-48.5179.5-70167000111.3I275 L280 S281 A282 F288 L289 T303 F305 F306 I310I275-L285 HydrophobicContact CD1-CD2 3.48Å; I275-L285 VanDerWaalsContact CD1-CD2 3.48Å; L280-L285 HydrophobicContact CB-CD2 4.13Å; L280-L285 HydrophobicContact CB-CG 4.11Å; L280-L285 HydrophobicContact CD1-CD2 4.3Å; S281-L285 VanDerWaalsContact O-CG 3.27Å; S281-L285 WeakPolarHBondContact O-CG 3.26Å; S281-L285 PolarHBondContact O-N 3.1Å; A282-L285 PolarHBondContact O-N 3.38Å; L285-F288 HydrophobicContact CD2-CE1 4.04Å; L285-L289 HydrophobicContact CB-CD1 4.22Å; L285-L289 HydrophobicContact CD2-CD1 4.22Å; L285-L289 WeakPolarHBondContact O-CB 3.31Å; L285-L289 WeakPolarHBondContact O-CD1 3.31Å; L285-L289 WeakPolarHBondContact O-CG 3.43Å; L285-L289 PolarHBondContact O-N 3.45Å; L285-L289 VanDerWaalsContact O-N 3.1Å; L285-T303 HydrophobicContact CD1-CG2 3.7Å; L285-T303 HydrophobicContact CD2-CG2 4.14Å; L285-F305 HydrophobicContact CD1-CB 4.09Å; L285-F306 HydrophobicContact CD1-CB 4.42Å; L285-I310 HydrophobicContact CB-CD1 3.77Å; L285-I310 HydrophobicContact CD1-CD1 4.31Å
286E98.5Very high98.4Very high66 Ų6638 Ų3831%0.30820%0.197SC..Hα-helixtrans-60.1-47.8176.2-172.4174.7176.900111.5A282 C284 F288 T290 H309 I310A282-E286 WeakPolarHBondContact O-CB 3.45Å; A282-E286 PolarHBondContact O-N 2.99Å; C284-E286 VanDerWaalsContact C-N 3.33Å; C284-E286 PolarHBondContact O-N 3.19Å; E286-F288 PolarHBondContact O-N 2.64Å; E286-T290 HydrophobicContact CG-CG2 4.5Å; E286-T290 WeakPolarHBondContact O-CB 3.28Å; E286-T290 WeakPolarHBondContact O-CG2 3.24Å; E286-T290 PolarHBondContact O-N 3.37Å; E286-T290 PolarHBondContact O-OG1 2.97Å; E286-H309 VanDerWaalsContact CD-NE2 3.29Å; E286-H309 IonicContact OE1-CD2 3.9Å; E286-H309 IonicContact OE1-CE1 2.83Å; E286-H309 IonicContact OE1-NE2 3.23Å; E286-H309 PolarHBondContact OE1-NE2 2.98Å; E286-H309 IonicContact OE2-CD2 3.58Å; E286-H309 PolarHBondContact OE2-CD2 3.32Å; E286-H309 VanDerWaalsContact OE2-CD2 3.26Å; E286-H309 IonicContact OE2-NE2 3.88Å; E286-H309 PolarHBondContact OE2-NE2 2.89Å; E286-I310 HydrophobicContact CB-CG1 4.04Å
287N98.6Very high98.4Very high55 Ų5537.8 Ų37.829%0.29420%0.195SC..Hα-helixtrans-59.6-50.1-176.4178.4-78000112.8M261 E283 C284 T290 R291M261-N287 HydrophobicContact CE-CB 3.92Å; M261-N287 HydrophobicContact CG-CB 4.08Å; E283-N287 VanDerWaalsContact O-CB 3.25Å; E283-N287 WeakPolarHBondContact O-CB 3.31Å; E283-N287 PolarHBondContact O-N 3.21Å; C284-N287 WeakPolarHBondContact O-CB 3.41Å; C284-N287 PolarHBondContact O-N 2.84Å; C284-N287 VanDerWaalsContact O-N 3.11Å; N287-T290 PolarHBondContact O-OG1 3.12Å; N287-R291 WeakPolarHBondContact O-CG 3.4Å; N287-R291 PolarHBondContact O-NE 3.44Å; N287-R291 PolarHBondContact OD1-NE 2.95Å; N287-R291 PolarHBondContact OD1-NH2 3.1Å
288F98.4Very high98.4Very high0 Ų036 Ų360%018%0.183CC..Hα-helixtrans-87.6-38.6-169.696.5-101.4000112.1M260 W265 L273 I275 L280 C284 L285 E286 T290 R291 I292M260-F288 HydrophobicContact CE-CD1 4.43Å; M260-F288 HydrophobicContact CE-CD2 4.23Å; M260-F288 HydrophobicContact CE-CE1 4.17Å; M260-F288 HydrophobicContact CE-CE2 3.95Å; M260-F288 HydrophobicContact CE-CG 4.48Å; M260-F288 HydrophobicContact CE-CZ 3.94Å; W265-F288 HydrophobicContact CD2-CD2 4.08Å; W265-F288 AromaticContact CE2-CD2 3.76Å; W265-F288 HydrophobicContact CG-CB 4.39Å; W265-F288 HydrophobicContact CG-CD2 4.36Å; W265-F288 HydrophobicContact CZ2-CD2 4.15Å; W265-F288 AromaticContact NE1-CD2 3.8Å; W265-F288 AromaticContact NE1-CG 3.97Å; L273-F288 HydrophobicContact CD2-CE2 3.78Å; L273-F288 HydrophobicContact CD2-CZ 4.17Å; I275-F288 HydrophobicContact CD1-CZ 4.23Å; I275-F288 HydrophobicContact CG2-CZ 4.32Å; L280-F288 HydrophobicContact CD1-CE1 3.9Å; L280-F288 HydrophobicContact CD1-CZ 4.47Å; C284-F288 VanDerWaalsContact O-CD1 3.24Å; C284-F288 WeakPolarHBondContact O-CD1 3.18Å; C284-F288 PolarHBondContact O-N 2.75Å; L285-F288 HydrophobicContact CD2-CE1 4.04Å; E286-F288 PolarHBondContact O-N 2.64Å; F288-T290 VanDerWaalsContact C-N 3.28Å; F288-T290 PolarHBondContact O-N 3.34Å; F288-R291 PolarHBondContact O-N 3.12Å; F288-R291 VanDerWaalsContact O-N 3.09Å; F288-I292 HydrophobicContact CD2-CD1 4.09Å; F288-I292 HydrophobicContact CE2-CD1 4.02Å; F288-I292 PolarHBondContact O-N 3.19Å
289L98.6Very high98.4Very high0 Ų035.7 Ų35.70%018%0.181CC..Hα-helixtrans-65.1-33.1179.4-64.4172.4000111.9L273 L285 R291 I292 F295 L298 F306 I310 L314L273-L289 HydrophobicContact CD2-CD2 3.71Å; L285-L289 HydrophobicContact CB-CD1 4.22Å; L285-L289 HydrophobicContact CD2-CD1 4.22Å; L285-L289 WeakPolarHBondContact O-CB 3.31Å; L285-L289 WeakPolarHBondContact O-CD1 3.31Å; L285-L289 WeakPolarHBondContact O-CG 3.43Å; L285-L289 PolarHBondContact O-N 3.45Å; L285-L289 VanDerWaalsContact O-N 3.1Å; L289-R291 VanDerWaalsContact C-N 3.28Å; L289-R291 PolarHBondContact O-N 3.07Å; L289-I292 PolarHBondContact O-N 2.83Å; L289-F295 HydrophobicContact CB-CZ 4.35Å; L289-F295 HydrophobicContact CD2-CE1 4.31Å; L289-F295 HydrophobicContact CD2-CZ 3.78Å; L289-L298 HydrophobicContact CD2-CD1 4.31Å; L289-F306 HydrophobicContact CD1-CD2 4.32Å; L289-F306 HydrophobicContact CD1-CE2 3.69Å; L289-I310 HydrophobicContact CD1-CG2 4.25Å; L289-L314 HydrophobicContact CB-CD1 4.22Å; L289-L314 HydrophobicContact CB-CD2 3.82Å; L289-L314 HydrophobicContact CD1-CD1 4.2Å
290T98.2Very high98.5Very high40 Ų4027.6 Ų27.625%0.24514%0.143CC..THydrogen-bonded Turntrans-73.2-19.5176.357.90000113.3E286 N287 F288 T313 L314 K319E286-T290 HydrophobicContact CG-CG2 4.5Å; E286-T290 WeakPolarHBondContact O-CB 3.28Å; E286-T290 WeakPolarHBondContact O-CG2 3.24Å; E286-T290 PolarHBondContact O-N 3.37Å; E286-T290 PolarHBondContact O-OG1 2.97Å; N287-T290 PolarHBondContact O-OG1 3.12Å; F288-T290 VanDerWaalsContact C-N 3.28Å; F288-T290 PolarHBondContact O-N 3.34Å; T290-T313 HydrophobicContact CG2-CG2 3.74Å; T290-L314 HydrophobicContact CG2-CD2 3.97Å; T290-K319 WeakPolarHBondContact O-CE 2.95Å; T290-K319 PolarHBondContact O-NZ 3.14Å
291R98.5Very high98.5Very high61 Ų6127.6 Ų27.623%0.2314%0.143CC..THydrogen-bonded Turntrans-86.5-24.9175.4-71.1-172-65.4144.3-4.2113.3M261 V263 W265 E266 N287 F288 L289M261-R291 PolarHBondContact O-NH2 3.37Å; V263-R291 PolarHBondContact O-NH1 2.97Å; V263-R291 PolarHBondContact O-NH2 3.16Å; W265-R291 HydrophobicContact CB-CB 3.86Å; E266-R291 VanDerWaalsContact CA-O 3.23Å; E266-R291 WeakPolarHBondContact CA-O 3.33Å; E266-R291 PolarHBondContact N-O 3.27Å; E266-R291 IonicContact OE2-NH1 2.82Å; E266-R291 PolarHBondContact OE2-NH1 3.33Å; N287-R291 WeakPolarHBondContact O-CG 3.4Å; N287-R291 PolarHBondContact O-NE 3.44Å; N287-R291 PolarHBondContact OD1-NE 2.95Å; N287-R291 PolarHBondContact OD1-NH2 3.1Å; F288-R291 PolarHBondContact O-N 3.12Å; F288-R291 VanDerWaalsContact O-N 3.09Å; L289-R291 VanDerWaalsContact C-N 3.28Å; L289-R291 PolarHBondContact O-N 3.07Å
292I98.4Very high98.5Very high0 Ų030.3 Ų30.30%015%0.152CC..SBendtrans-59.9131.7171.2-65.9176.2000109.6W265 I270 L273 F288 L289 Y294 F295 K319W265-I292 HydrophobicContact CB-CG1 3.91Å; W265-I292 HydrophobicContact CD2-CD1 4.37Å; W265-I292 HydrophobicContact CD2-CG1 4.16Å; W265-I292 HydrophobicContact CE3-CD1 3.87Å; W265-I292 HydrophobicContact CE3-CG1 3.84Å; W265-I292 HydrophobicContact CG-CG1 4.22Å; W265-I292 HydrophobicContact CZ3-CD1 4.34Å; I270-I292 WeakPolarHBondContact O-CG2 3.27Å; L273-I292 HydrophobicContact CD2-CD1 3.83Å; F288-I292 HydrophobicContact CD2-CD1 4.09Å; F288-I292 HydrophobicContact CE2-CD1 4.02Å; F288-I292 PolarHBondContact O-N 3.19Å; L289-I292 PolarHBondContact O-N 2.83Å; I292-Y294 PolarHBondContact O-N 3.15Å; I292-F295 HydrophobicContact CB-CE1 4.16Å; I292-F295 HydrophobicContact CB-CE2 4.45Å; I292-F295 HydrophobicContact CB-CZ 3.78Å; I292-F295 HydrophobicContact CD1-CE1 3.74Å; I292-F295 HydrophobicContact CD1-CZ 3.82Å; I292-F295 HydrophobicContact CG1-CZ 4.34Å; I292-F295 HydrophobicContact CG2-CD1 4.3Å; I292-F295 HydrophobicContact CG2-CE1 3.73Å; I292-F295 HydrophobicContact CG2-CE2 4.41Å; I292-F295 HydrophobicContact CG2-CZ 3.79Å; I292-K319 WeakPolarHBondContact O-CD 3.49Å; I292-K319 WeakPolarHBondContact O-CE 3.38Å; I292-K319 PolarHBondContact O-NZ 3.27Å
293P97.9Very high98.4Very high57 Ų5728.9 Ų28.937%0.3714%0.14SC..  trans-59.4-46.1-173.3-30.237.3000114.7
294Y98.4Very high98.3Very high77 Ų7726.7 Ų26.730%0.30213%0.133SC..  trans-164.8161.7177.863.9-84.7000110.9C271 I292 T296 Q322C271-Y294 HydrophobicContact CB-CD2 4.01Å; C271-Y294 HydrophobicContact CB-CE2 3.58Å; I292-Y294 PolarHBondContact O-N 3.15Å; Y294-T296 HydrophobicContact CD2-CG2 4.14Å; Y294-T296 HydrophobicContact CE2-CG2 3.83Å; Y294-Q322 HydrophobicContact CD2-CB 4.03Å; Y294-Q322 HydrophobicContact CD2-CG 4.34Å
295F98.7Very high98.2Very high0 Ų032 Ų320%016%0.156CC..  trans-113.3140.4173.4-59.5-79.3000111.4L273 L289 I292 L298 L314 K319 F320 Q322 V323L273-F295 HydrophobicContact CB-CD1 4.45Å; L273-F295 HydrophobicContact CB-CE1 4.19Å; L273-F295 HydrophobicContact CD2-CE1 4.04Å; L289-F295 HydrophobicContact CB-CZ 4.35Å; L289-F295 HydrophobicContact CD2-CE1 4.31Å; L289-F295 HydrophobicContact CD2-CZ 3.78Å; I292-F295 HydrophobicContact CB-CE1 4.16Å; I292-F295 HydrophobicContact CB-CE2 4.45Å; I292-F295 HydrophobicContact CB-CZ 3.78Å; I292-F295 HydrophobicContact CD1-CE1 3.74Å; I292-F295 HydrophobicContact CD1-CZ 3.82Å; I292-F295 HydrophobicContact CG1-CZ 4.34Å; I292-F295 HydrophobicContact CG2-CD1 4.3Å; I292-F295 HydrophobicContact CG2-CE1 3.73Å; I292-F295 HydrophobicContact CG2-CE2 4.41Å; I292-F295 HydrophobicContact CG2-CZ 3.79Å; F295-L298 HydrophobicContact CB-CB 4.37Å; F295-L298 HydrophobicContact CD1-CB 4.29Å; F295-L298 HydrophobicContact CD1-CD1 4.22Å; F295-L298 HydrophobicContact CE1-CD1 4.08Å; F295-L298 HydrophobicContact CG-CB 4.3Å; F295-L314 HydrophobicContact CE2-CD2 4.47Å; F295-K319 HydrophobicContact CD2-CB 3.92Å; F295-K319 HydrophobicContact CE2-CB 4.11Å; F295-K319 PolarHBondContact N-O 3.14Å; F295-F320 HydrophobicContact CD2-CE1 4.17Å; F295-Q322 CarbonylContact O-C 3.27Å; F295-Q322 VanDerWaalsContact O-C 3.27Å; F295-V323 VanDerWaalsContact O-CA 3.23Å; F295-V323 WeakPolarHBondContact O-CA 3.48Å; F295-V323 PolarHBondContact O-N 2.99Å; F295-V323 VanDerWaalsContact O-N 3.09Å
296T98.8Very high98.2Very high16 Ų1632 Ų3210%0.09816%0.156CC..SBendtrans-106.3-30.4162.662.30000110.9C271 E272 Y294 Q322 K324 A325C271-T296 HydrophobicContact CB-CG2 4.23Å; C271-T296 WeakPolarHBondContact O-CA 3.44Å; C271-T296 PolarHBondContact O-N 2.86Å; C271-T296 PolarHBondContact O-OG1 3.5Å; E272-T296 VanDerWaalsContact CG-OG1 3.31Å; E272-T296 WeakPolarHBondContact CG-OG1 3.38Å; Y294-T296 HydrophobicContact CD2-CG2 4.14Å; Y294-T296 HydrophobicContact CE2-CG2 3.83Å; T296-Q322 HydrophobicContact CG2-CB 4.28Å; T296-K324 WeakPolarHBondContact O-CA 3.17Å; T296-K324 WeakPolarHBondContact O-CB 3.45Å; T296-K324 PolarHBondContact O-N 2.79Å; T296-A325 PolarHBondContact O-N 2.96Å; T296-A325 VanDerWaalsContact O-N 3.14Å
297Y98.9Very high98.2Very high4 Ų430.7 Ų30.72%0.01615%0.153CC..EExtended strand (participates in β ladder)trans-137.9129.1172.6-178.9-72.4000108.3C271 E272 L273 A299 A325 I480 L484C271-Y297 PolarHBondContact O-N 3.04Å; E272-Y297 WeakPolarHBondContact CA-O 3.34Å; L273-Y297 PolarHBondContact N-O 3.4Å; Y297-A299 HydrophobicContact CE1-CB 3.62Å; Y297-A325 WeakPolarHBondContact CA-O 3.28Å; Y297-A325 HydrophobicContact CD2-CB 3.56Å; Y297-A325 HydrophobicContact CE2-CB 4.07Å; Y297-A325 HydrophobicContact CG-CB 4.27Å; Y297-I480 HydrophobicContact CD2-CD1 4.25Å; Y297-I480 HydrophobicContact CE1-CD1 4.34Å; Y297-I480 HydrophobicContact CE2-CB 4.24Å; Y297-I480 HydrophobicContact CE2-CD1 3.55Å; Y297-I480 HydrophobicContact CE2-CG1 3.73Å; Y297-I480 WeakPolarHBondContact OH-CG1 3.02Å; Y297-L484 HydrophobicContact CD1-CD2 3.93Å; Y297-L484 HydrophobicContact CD2-CD2 3.66Å; Y297-L484 HydrophobicContact CD2-CG 4.19Å; Y297-L484 HydrophobicContact CE1-CD2 4.14Å; Y297-L484 HydrophobicContact CE2-CD2 3.89Å; Y297-L484 HydrophobicContact CE2-CG 4.06Å; Y297-L484 HydrophobicContact CG-CD2 3.7Å
298L98.8Very high98.2Very high0 Ų029.8 Ų29.80%015%0.148CC..EExtended strand (participates in β ladder)trans-135.1119.9171.6177.564.6000109L273 L289 F295 F306 F320 A325 I326 D327L273-L298 HydrophobicContact CB-CD1 4.38Å; L273-L298 HydrophobicContact CD2-CD1 4.24Å; L273-L298 WeakPolarHBondContact O-CA 3.5Å; L289-L298 HydrophobicContact CD2-CD1 4.31Å; F295-L298 HydrophobicContact CB-CB 4.37Å; F295-L298 HydrophobicContact CD1-CB 4.29Å; F295-L298 HydrophobicContact CD1-CD1 4.22Å; F295-L298 HydrophobicContact CE1-CD1 4.08Å; F295-L298 HydrophobicContact CG-CB 4.3Å; L298-F306 HydrophobicContact CD2-CZ 4.45Å; L298-F320 HydrophobicContact CD2-CE1 3.73Å; L298-F320 HydrophobicContact CD2-CZ 3.88Å; L298-A325 PolarHBondContact N-O 3.12Å; L298-I326 CarbonylContact O-C 2.86Å; L298-I326 VanDerWaalsContact O-CA 3.29Å; L298-I326 WeakPolarHBondContact O-CA 3.33Å; L298-D327 PolarHBondContact O-N 2.91Å
299A98.8Very high98.2Very high0 Ų034.5 Ų34.50%017%0.17CC..EExtended strand (participates in β ladder)trans-117.1126.2169.700000109.8L273 D274 I275 Y297 D327L273-A299 PolarHBondContact O-N 3.17Å; D274-A299 HydrophobicContact CB-CB 4.16Å; D274-A299 VanDerWaalsContact CG-CB 3.48Å; D274-A299 WeakPolarHBondContact OD1-CB 3.31Å; I275-A299 WeakPolarHBondContact CG1-O 3.36Å; I275-A299 PolarHBondContact N-O 3.19Å; Y297-A299 HydrophobicContact CE1-CB 3.62Å; A299-D327 HydrophobicContact CB-CB 3.82Å
300A98.5Very high98.1Very high0 Ų034.6 Ų34.60%017%0.17CC..  trans-141.245.517700000108.5I275 T303 F306 D327 L328 T331I275-A300 HydrophobicContact CD1-CB 4.14Å; I275-A300 HydrophobicContact CG1-CB 4Å; A300-T303 VanDerWaalsContact C-OG1 3.3Å; A300-T303 WeakPolarHBondContact CA-OG1 3.31Å; A300-T303 WeakPolarHBondContact O-CB 3.43Å; A300-T303 PolarHBondContact O-OG1 2.67Å; A300-F306 HydrophobicContact CB-CD2 3.81Å; A300-F306 HydrophobicContact CB-CE2 4.08Å; A300-F306 HydrophobicContact CB-CG 4.42Å; A300-D327 PolarHBondContact N-O 3.46Å; A300-L328 HydrophobicContact CB-CD2 4.23Å; A300-T331 WeakPolarHBondContact O-CG2 3.37Å
301G98Very high98.2Very high0 Ų032.7 Ų32.70%016%0.158CC..THydrogen-bonded Turntrans-66.1147.5174.900000110.2T276 S277 T303 S329T276-G301 CarbonylContact C-O 3.58Å; T276-G301 WeakPolarHBondContact CA-O 3.38Å; T276-G301 VanDerWaalsContact CG2-O 3.26Å; T276-G301 WeakPolarHBondContact CG2-O 3.34Å; T276-G301 PolarHBondContact OG1-N 3.2Å; T276-G301 VanDerWaalsContact OG1-N 3.16Å; S277-G301 PolarHBondContact N-O 3.25Å; G301-T303 PolarHBondContact O-N 3.38Å; G301-T303 PolarHBondContact O-OG1 3.43Å; G301-S329 CarbonylContact C-O 3.49Å; G301-S329 VanDerWaalsContact CA-O 3.22Å; G301-S329 WeakPolarHBondContact CA-O 3.31Å
302H97.5Very high98.2Very high91 Ų9132.1 Ų32.142%0.42116%0.16SC..THydrogen-bonded Turntrans53.722.7-179.5-64.3-92000114.6S277 D304 S329 H330S277-H302 WeakPolarHBondContact OG-CB 3.43Å; H302-D304 PolarHBondContact O-N 2.79Å; H302-S329 PolarHBondContact N-O 3.25Å; H302-H330 VanDerWaalsContact CE1-CB 3.44Å; H302-H330 WeakPolarHBondContact CE1-CB 2.98Å; H302-H330 AromaticContact CE1-CD2 3.52Å; H302-H330 AromaticContact CE1-CG 3.29Å; H302-H330 AromaticContact CE1-ND1 3.76Å; H302-H330 WeakPolarHBondContact ND1-CB 3.34Å; H302-H330 AromaticContact ND1-CG 3.86Å; H302-H330 AromaticContact NE2-CD2 3.2Å; H302-H330 PolarHBondContact NE2-CD2 3.33Å; H302-H330 AromaticContact NE2-CG 3.43Å; H302-H330 AromaticContact NE2-NE2 3.98Å
303T97.5Very high98.2Very high1 Ų133.8 Ų33.81%0.00617%0.17CC..  trans-93.189.3175.5-51.20000109I275 L285 A300 G301 F305 F306I275-T303 PolarHBondContact O-OG1 2.82Å; L285-T303 HydrophobicContact CD1-CG2 3.7Å; L285-T303 HydrophobicContact CD2-CG2 4.14Å; A300-T303 VanDerWaalsContact C-OG1 3.3Å; A300-T303 WeakPolarHBondContact CA-OG1 3.31Å; A300-T303 WeakPolarHBondContact O-CB 3.43Å; A300-T303 PolarHBondContact O-OG1 2.67Å; G301-T303 PolarHBondContact O-N 3.38Å; G301-T303 PolarHBondContact O-OG1 3.43Å; T303-F305 PolarHBondContact O-N 3.47Å; T303-F305 VanDerWaalsContact O-N 3.13Å; T303-F306 HydrophobicContact CG2-CB 4Å; T303-F306 WeakPolarHBondContact O-CB 3.44Å; T303-F306 PolarHBondContact O-N 3.13Å
304D95.1Very high98.2Very high93 Ų9331.1 Ų31.150%0.49715%0.153SC..THydrogen-bonded Turntrans-56.9-32.5-171.2-77.5-11.6000114.4H302 P332 A333H302-D304 PolarHBondContact O-N 2.79Å; D304-P332 HydrophobicContact CB-CG 4.47Å; D304-P332 WeakPolarHBondContact OD1-CD 3.47Å; D304-P332 WeakPolarHBondContact OD1-CG 3.47Å; D304-A333 VanDerWaalsContact O-CB 3.25Å; D304-A333 WeakPolarHBondContact O-CB 3.3Å
305F97.7Very high98.2Very high110 Ų11028 Ų2848%0.48214%0.142SC..THydrogen-bonded Turntrans-90.56.3-179-56.2-68.6000114.1L280 A282 L285 T303 T307 I310L280-F305 VanDerWaalsContact O-CD2 3.29Å; L280-F305 WeakPolarHBondContact O-CD2 3.15Å; A282-F305 HydrophobicContact CB-CB 4.15Å; L285-F305 HydrophobicContact CD1-CB 4.09Å; T303-F305 PolarHBondContact O-N 3.47Å; T303-F305 VanDerWaalsContact O-N 3.13Å; F305-T307 WeakPolarHBondContact O-CG2 3.37Å; F305-T307 PolarHBondContact O-N 2.69Å; F305-I310 WeakPolarHBondContact O-CD1 3.26Å
306F98.2Very high98.1Very high0 Ų034.7 Ų34.70%018%0.178CC..  trans-76.393172.4-161-76.7000109.8L285 L289 L298 A300 T303 I310 L311 L314 L328 T331 L334L285-F306 HydrophobicContact CD1-CB 4.42Å; L289-F306 HydrophobicContact CD1-CD2 4.32Å; L289-F306 HydrophobicContact CD1-CE2 3.69Å; L298-F306 HydrophobicContact CD2-CZ 4.45Å; A300-F306 HydrophobicContact CB-CD2 3.81Å; A300-F306 HydrophobicContact CB-CE2 4.08Å; A300-F306 HydrophobicContact CB-CG 4.42Å; T303-F306 HydrophobicContact CG2-CB 4Å; T303-F306 WeakPolarHBondContact O-CB 3.44Å; T303-F306 PolarHBondContact O-N 3.13Å; F306-I310 HydrophobicContact CD2-CG2 4.4Å; F306-I310 HydrophobicContact CE1-CG2 4.33Å; F306-I310 HydrophobicContact CE2-CG2 4.02Å; F306-I310 HydrophobicContact CZ-CG2 3.98Å; F306-L311 HydrophobicContact CE1-CB 4.05Å; F306-L311 HydrophobicContact CE1-CD1 4.21Å; F306-L314 HydrophobicContact CE2-CD1 4.48Å; F306-L314 HydrophobicContact CZ-CD1 4.02Å; F306-L328 HydrophobicContact CD1-CD2 4.07Å; F306-L328 HydrophobicContact CE1-CD2 3.77Å; F306-L328 HydrophobicContact CZ-CD2 4.05Å; F306-T331 HydrophobicContact CB-CG2 4.31Å; F306-L334 HydrophobicContact CD1-CD1 3.93Å; F306-L334 HydrophobicContact CD1-CD2 4Å; F306-L334 HydrophobicContact CD1-CG 4.14Å; F306-L334 HydrophobicContact CE1-CD1 4.3Å; F306-L334 HydrophobicContact CE1-CD2 4.38Å; F306-L334 WeakPolarHBondContact O-CG 3.41Å
307T98Very high98Very high40 Ų4036.8 Ų36.825%0.24519%0.193CC..  trans-90.4166.5-171.869.20000114.1A282 F305 H309 I310 L311 A333 L334A282-T307 HydrophobicContact CB-CG2 4.3Å; F305-T307 WeakPolarHBondContact O-CG2 3.37Å; F305-T307 PolarHBondContact O-N 2.69Å; T307-H309 PolarHBondContact O-N 3.04Å; T307-H309 PolarHBondContact OG1-N 3Å; T307-I310 PolarHBondContact O-N 3.47Å; T307-I310 PolarHBondContact OG1-N 3.23Å; T307-L311 PolarHBondContact O-N 3.18Å; T307-L311 VanDerWaalsContact O-N 3.07Å; T307-A333 HydrophobicContact CG2-CB 4.09Å; T307-L334 WeakPolarHBondContact O-CD2 3.34Å
308D98.5Very high98Very high35 Ų3537.2 Ų37.219%0.18720%0.199CC..Hα-helixtrans-54-39.6170.8-68.8-58.7000113.1I310 L311 N312 A333 N335 S338D308-I310 VanDerWaalsContact C-N 3.34Å; D308-I310 PolarHBondContact O-N 2.83Å; D308-L311 PolarHBondContact O-N 2.9Å; D308-N312 WeakPolarHBondContact O-CB 3.3Å; D308-N312 VanDerWaalsContact O-CG 3.24Å; D308-N312 PolarHBondContact O-N 3.07Å; D308-N312 PolarHBondContact O-ND2 3.22Å; D308-A333 PolarHBondContact N-O 3.44Å; D308-N335 VanDerWaalsContact CG-CG 3.44Å; D308-N335 PolarHBondContact OD1-N 3.2Å; D308-N335 PolarHBondContact OD1-ND2 2.97Å; D308-N335 PolarHBondContact OD1-OD1 2.81Å; D308-N335 VanDerWaalsContact OD2-CG 3.26Å; D308-N335 PolarHBondContact OD2-N 2.66Å; D308-N335 PolarHBondContact OD2-ND2 2.97Å; D308-S338 WeakPolarHBondContact CB-OG 3.38Å; D308-S338 VanDerWaalsContact CG-OG 3.27Å; D308-S338 WeakPolarHBondContact OD1-CB 3.42Å; D308-S338 PolarHBondContact OD1-OG 2.99Å
309H98.4Very high97.9Very high100 Ų10038.5 Ų38.546%0.46320%0.204SC..Hα-helixtrans-61-44.6179177.365.9000111.2E286 T307 T313E286-H309 VanDerWaalsContact CD-NE2 3.29Å; E286-H309 IonicContact OE1-CD2 3.9Å; E286-H309 IonicContact OE1-CE1 2.83Å; E286-H309 IonicContact OE1-NE2 3.23Å; E286-H309 PolarHBondContact OE1-NE2 2.98Å; E286-H309 IonicContact OE2-CD2 3.58Å; E286-H309 PolarHBondContact OE2-CD2 3.32Å; E286-H309 VanDerWaalsContact OE2-CD2 3.26Å; E286-H309 IonicContact OE2-NE2 3.88Å; E286-H309 PolarHBondContact OE2-NE2 2.89Å; T307-H309 PolarHBondContact O-N 3.04Å; T307-H309 PolarHBondContact OG1-N 3Å; H309-T313 VanDerWaalsContact O-CB 3.28Å; H309-T313 WeakPolarHBondContact O-CB 3.12Å; H309-T313 PolarHBondContact O-N 2.75Å; H309-T313 PolarHBondContact O-OG1 3.27Å
310I98.5Very high97.9Very high1 Ų138.6 Ų38.61%0.00521%0.205CC..Hα-helixtrans-62.4-50.8176.4-65.7163.3000109.9A282 L285 E286 L289 F305 F306 T307 D308 N312 T313 L314A282-I310 HydrophobicContact CB-CD1 4.17Å; L285-I310 HydrophobicContact CB-CD1 3.77Å; L285-I310 HydrophobicContact CD1-CD1 4.31Å; E286-I310 HydrophobicContact CB-CG1 4.04Å; L289-I310 HydrophobicContact CD1-CG2 4.25Å; F305-I310 WeakPolarHBondContact O-CD1 3.26Å; F306-I310 HydrophobicContact CD2-CG2 4.4Å; F306-I310 HydrophobicContact CE1-CG2 4.33Å; F306-I310 HydrophobicContact CE2-CG2 4.02Å; F306-I310 HydrophobicContact CZ-CG2 3.98Å; T307-I310 PolarHBondContact O-N 3.47Å; T307-I310 PolarHBondContact OG1-N 3.23Å; D308-I310 VanDerWaalsContact C-N 3.34Å; D308-I310 PolarHBondContact O-N 2.83Å; I310-N312 VanDerWaalsContact C-N 3.34Å; I310-N312 PolarHBondContact O-N 3.32Å; I310-T313 PolarHBondContact O-N 3.27Å; I310-L314 HydrophobicContact CG2-CD1 3.95Å; I310-L314 HydrophobicContact CG2-CG 4.36Å; I310-L314 VanDerWaalsContact O-CG 3.3Å; I310-L314 WeakPolarHBondContact O-CG 3.09Å; I310-L314 PolarHBondContact O-N 3.44Å
311L98.7Very high97.8Very high0 Ų045.8 Ų45.80%024%0.236CC..Hα-helixtrans-58.7-46-178-176.760.5000112.2F306 T307 D308 L314 C315 F320 L328 L334 I339 L342F306-L311 HydrophobicContact CE1-CB 4.05Å; F306-L311 HydrophobicContact CE1-CD1 4.21Å; T307-L311 PolarHBondContact O-N 3.18Å; T307-L311 VanDerWaalsContact O-N 3.07Å; D308-L311 PolarHBondContact O-N 2.9Å; L311-L314 PolarHBondContact O-N 3.45Å; L311-C315 PolarHBondContact O-N 2.94Å; L311-C315 PolarHBondContact O-SG 3.15Å; L311-F320 HydrophobicContact CD1-CE2 3.89Å; L311-F320 HydrophobicContact CD1-CZ 4.24Å; L311-L328 HydrophobicContact CD1-CD1 4.25Å; L311-L328 HydrophobicContact CD2-CD1 4.47Å; L311-L334 HydrophobicContact CB-CD2 3.92Å; L311-L334 HydrophobicContact CD2-CD1 4.35Å; L311-L334 HydrophobicContact CD2-CD2 4.02Å; L311-I339 HydrophobicContact CD2-CG1 4.29Å; L311-L342 HydrophobicContact CD1-CD1 4.3Å; L311-L342 HydrophobicContact CD1-CD2 4.08Å; L311-L342 HydrophobicContact CD2-CB 4.46Å; L311-L342 HydrophobicContact CD2-CD2 4.42Å
312N98.5Very high97.8Very high49 Ų4950.7 Ų50.726%0.26226%0.259SS..Hα-helixtrans-65.5-43.1179.2-68.8-41.3000111D308 I310 L314 C315 D316 S338D308-N312 WeakPolarHBondContact O-CB 3.3Å; D308-N312 VanDerWaalsContact O-CG 3.24Å; D308-N312 PolarHBondContact O-N 3.07Å; D308-N312 PolarHBondContact O-ND2 3.22Å; I310-N312 VanDerWaalsContact C-N 3.34Å; I310-N312 PolarHBondContact O-N 3.32Å; N312-L314 VanDerWaalsContact C-N 3.32Å; N312-L314 PolarHBondContact O-N 3.47Å; N312-C315 WeakPolarHBondContact O-CB 3.03Å; N312-C315 PolarHBondContact O-N 2.79Å; N312-C315 VanDerWaalsContact O-N 3.11Å; N312-D316 WeakPolarHBondContact O-CB 3.28Å; N312-D316 VanDerWaalsContact O-CG 3.31Å; N312-D316 PolarHBondContact O-N 3.1Å; N312-S338 PolarHBondContact ND2-OG 3.24Å
313T98.4Very high97.9Very high36 Ų3646.3 Ų46.322%0.22124%0.239CC..Hα-helixtrans-59.8-41.1176.4-60.40000112.2T290 H309 I310 D316 S317T290-T313 HydrophobicContact CG2-CG2 3.74Å; H309-T313 VanDerWaalsContact O-CB 3.28Å; H309-T313 WeakPolarHBondContact O-CB 3.12Å; H309-T313 PolarHBondContact O-N 2.75Å; H309-T313 PolarHBondContact O-OG1 3.27Å; I310-T313 PolarHBondContact O-N 3.27Å; T313-D316 PolarHBondContact O-N 3.29Å; T313-S317 VanDerWaalsContact O-CB 3.31Å; T313-S317 WeakPolarHBondContact O-CB 3.47Å; T313-S317 PolarHBondContact O-N 3.11Å; T313-S317 PolarHBondContact O-OG 3.35Å
314L98.6Very high98Very high0 Ų050 Ų500%026%0.255CS..Hα-helixtrans-67.3-36.1175.6-65.8176.1000112.6L289 T290 F295 F306 I310 L311 N312 S317 G318 K319 F320L289-L314 HydrophobicContact CB-CD1 4.22Å; L289-L314 HydrophobicContact CB-CD2 3.82Å; L289-L314 HydrophobicContact CD1-CD1 4.2Å; T290-L314 HydrophobicContact CG2-CD2 3.97Å; F295-L314 HydrophobicContact CE2-CD2 4.47Å; F306-L314 HydrophobicContact CE2-CD1 4.48Å; F306-L314 HydrophobicContact CZ-CD1 4.02Å; I310-L314 HydrophobicContact CG2-CD1 3.95Å; I310-L314 HydrophobicContact CG2-CG 4.36Å; I310-L314 VanDerWaalsContact O-CG 3.3Å; I310-L314 WeakPolarHBondContact O-CG 3.09Å; I310-L314 PolarHBondContact O-N 3.44Å; L311-L314 PolarHBondContact O-N 3.45Å; N312-L314 VanDerWaalsContact C-N 3.32Å; N312-L314 PolarHBondContact O-N 3.47Å; L314-S317 PolarHBondContact O-OG 3.01Å; L314-G318 PolarHBondContact O-N 2.98Å; L314-K319 HydrophobicContact CB-CB 4.42Å; L314-K319 HydrophobicContact CB-CG 4.45Å; L314-K319 HydrophobicContact CD2-CB 4.42Å; L314-K319 HydrophobicContact CD2-CG 3.92Å; L314-K319 WeakPolarHBondContact O-CB 3.3Å; L314-K319 PolarHBondContact O-N 2.96Å; L314-F320 HydrophobicContact CB-CD2 4.27Å; L314-F320 HydrophobicContact CB-CE2 3.51Å; L314-F320 HydrophobicContact CB-CZ 3.89Å; L314-F320 HydrophobicContact CD1-CE2 4.39Å; L314-F320 HydrophobicContact CD1-CZ 3.98Å
315C97.9Very high98.1Very high12 Ų1245.7 Ų45.78%0.08123%0.232CC..Hα-helixtrans-64.4-52172.9-66.60000111.1L311 N312 S317 G318 L342L311-C315 PolarHBondContact O-N 2.94Å; L311-C315 PolarHBondContact O-SG 3.15Å; N312-C315 WeakPolarHBondContact O-CB 3.03Å; N312-C315 PolarHBondContact O-N 2.79Å; N312-C315 VanDerWaalsContact O-N 3.11Å; C315-S317 VanDerWaalsContact C-N 3.34Å; C315-S317 PolarHBondContact O-N 2.77Å; C315-G318 WeakPolarHBondContact O-CA 3.25Å; C315-G318 PolarHBondContact O-N 3.32Å; C315-L342 VanDerWaalsContact SG-CD1 3.59Å
316D97.3Very high98.2Very high140 Ų14040.5 Ų40.575%0.74921%0.209SC*.Hα-helixtrans-66.3-35.6-174.5-69.3-17.6000112.2N312 T313 G318N312-D316 WeakPolarHBondContact O-CB 3.28Å; N312-D316 VanDerWaalsContact O-CG 3.31Å; N312-D316 PolarHBondContact O-N 3.1Å; T313-D316 PolarHBondContact O-N 3.29Å; D316-G318 PolarHBondContact O-N 2.96Å
317S97Very high98.2Very high60 Ų6041.1 Ų41.142%0.4221%0.212SC..THydrogen-bonded Turntrans-77.51.3173.460.40000113.8T313 L314 C315 K319T313-S317 VanDerWaalsContact O-CB 3.31Å; T313-S317 WeakPolarHBondContact O-CB 3.47Å; T313-S317 PolarHBondContact O-N 3.11Å; T313-S317 PolarHBondContact O-OG 3.35Å; L314-S317 PolarHBondContact O-OG 3.01Å; C315-S317 VanDerWaalsContact C-N 3.34Å; C315-S317 PolarHBondContact O-N 2.77Å; S317-K319 PolarHBondContact O-N 2.63Å; S317-K319 WeakPolarHBondContact OG-CG 3.32Å
318G97.5Very high98.2Very high13 Ų1339.3 Ų39.313%0.13420%0.201CC..THydrogen-bonded Turntrans74.219.9172.400000114.8L314 C315 D316 F320 K321L314-G318 PolarHBondContact O-N 2.98Å; C315-G318 WeakPolarHBondContact O-CA 3.25Å; C315-G318 PolarHBondContact O-N 3.32Å; D316-G318 PolarHBondContact O-N 2.96Å; G318-F320 PolarHBondContact O-N 3.2Å; G318-K321 WeakPolarHBondContact O-CB 3.4Å; G318-K321 VanDerWaalsContact O-CG 3.29Å; G318-K321 WeakPolarHBondContact O-CG 3.41Å; G318-K321 PolarHBondContact O-N 2.91Å
319K98Very high98.2Very high27 Ų2737.8 Ų37.812%0.11719%0.193CC..THydrogen-bonded Turntrans-65.3-26.4-178.1-55.3-55.4-175.4166.20113T290 I292 F295 L314 S317T290-K319 WeakPolarHBondContact O-CE 2.95Å; T290-K319 PolarHBondContact O-NZ 3.14Å; I292-K319 WeakPolarHBondContact O-CD 3.49Å; I292-K319 WeakPolarHBondContact O-CE 3.38Å; I292-K319 PolarHBondContact O-NZ 3.27Å; F295-K319 HydrophobicContact CD2-CB 3.92Å; F295-K319 HydrophobicContact CE2-CB 4.11Å; F295-K319 PolarHBondContact N-O 3.14Å; L314-K319 HydrophobicContact CB-CB 4.42Å; L314-K319 HydrophobicContact CB-CG 4.45Å; L314-K319 HydrophobicContact CD2-CB 4.42Å; L314-K319 HydrophobicContact CD2-CG 3.92Å; L314-K319 WeakPolarHBondContact O-CB 3.3Å; L314-K319 PolarHBondContact O-N 2.96Å; S317-K319 PolarHBondContact O-N 2.63Å; S317-K319 WeakPolarHBondContact OG-CG 3.32Å
320F98.5Very high98.1Very high2 Ų235.7 Ų35.71%0.00918%0.184CC..THydrogen-bonded Turntrans-91.27.4-179.9-63.1-50.8000114.8F295 L298 L311 L314 G318 Q322 V323 I326 L342 H346 Q349F295-F320 HydrophobicContact CD2-CE1 4.17Å; L298-F320 HydrophobicContact CD2-CE1 3.73Å; L298-F320 HydrophobicContact CD2-CZ 3.88Å; L311-F320 HydrophobicContact CD1-CE2 3.89Å; L311-F320 HydrophobicContact CD1-CZ 4.24Å; L314-F320 HydrophobicContact CB-CD2 4.27Å; L314-F320 HydrophobicContact CB-CE2 3.51Å; L314-F320 HydrophobicContact CB-CZ 3.89Å; L314-F320 HydrophobicContact CD1-CE2 4.39Å; L314-F320 HydrophobicContact CD1-CZ 3.98Å; G318-F320 PolarHBondContact O-N 3.2Å; F320-Q322 PolarHBondContact O-N 3Å; F320-V323 HydrophobicContact CB-CB 4.13Å; F320-V323 HydrophobicContact CB-CG1 3.8Å; F320-V323 HydrophobicContact CD1-CB 3.93Å; F320-V323 HydrophobicContact CD1-CG1 4.2Å; F320-V323 HydrophobicContact CD1-CG2 3.96Å; F320-V323 HydrophobicContact CG-CB 4.48Å; F320-V323 HydrophobicContact CG-CG1 4.35Å; F320-V323 VanDerWaalsContact O-CG1 3.26Å; F320-V323 WeakPolarHBondContact O-CG1 3.24Å; F320-V323 PolarHBondContact O-N 3.07Å; F320-V323 VanDerWaalsContact O-N 3.09Å; F320-I326 HydrophobicContact CD1-CD1 4.32Å; F320-I326 HydrophobicContact CE1-CD1 4.36Å; F320-L342 HydrophobicContact CD2-CD1 3.62Å; F320-L342 HydrophobicContact CE2-CD1 3.92Å; F320-L342 HydrophobicContact CG-CD1 4.15Å; F320-H346 PolarHBondContact O-ND1 3.38Å; F320-Q349 PolarHBondContact O-NE2 2.76Å; F320-Q349 VanDerWaalsContact O-NE2 3.16Å
321K97.2Very high98Very high152 Ų15235.7 Ų35.766%0.66118%0.184SC*.THydrogen-bonded Turntrans-54.9-28.3178-77.6176.2-178.6175.70113.9G318 Q349G318-K321 WeakPolarHBondContact O-CB 3.4Å; G318-K321 VanDerWaalsContact O-CG 3.29Å; G318-K321 WeakPolarHBondContact O-CG 3.41Å; G318-K321 PolarHBondContact O-N 2.91Å; K321-Q349 PolarHBondContact O-NE2 2.7Å; K321-Q349 VanDerWaalsContact O-NE2 3.09Å; K321-Q349 PolarHBondContact O-OE1 3.06Å
322Q98Very high97.7Very high102 Ų10240.4 Ų40.448%0.47722%0.215SC..THydrogen-bonded Turntrans-113.77.2-179.8-59.8-172.55100113.8Y294 F295 T296 F320 K324Y294-Q322 HydrophobicContact CD2-CB 4.03Å; Y294-Q322 HydrophobicContact CD2-CG 4.34Å; F295-Q322 CarbonylContact O-C 3.27Å; F295-Q322 VanDerWaalsContact O-C 3.27Å; T296-Q322 HydrophobicContact CG2-CB 4.28Å; F320-Q322 PolarHBondContact O-N 3Å; Q322-K324 PolarHBondContact O-N 2.92Å
323V98.6Very high97.6Very high0 Ų039.8 Ų39.80%022%0.216CC..  trans-64.4135.7-172.677.40000111.8F295 F320 I326 H346 Q349 L350F295-V323 VanDerWaalsContact O-CA 3.23Å; F295-V323 WeakPolarHBondContact O-CA 3.48Å; F295-V323 PolarHBondContact O-N 2.99Å; F295-V323 VanDerWaalsContact O-N 3.09Å; F320-V323 HydrophobicContact CB-CB 4.13Å; F320-V323 HydrophobicContact CB-CG1 3.8Å; F320-V323 HydrophobicContact CD1-CB 3.93Å; F320-V323 HydrophobicContact CD1-CG1 4.2Å; F320-V323 HydrophobicContact CD1-CG2 3.96Å; F320-V323 HydrophobicContact CG-CB 4.48Å; F320-V323 HydrophobicContact CG-CG1 4.35Å; F320-V323 VanDerWaalsContact O-CG1 3.26Å; F320-V323 WeakPolarHBondContact O-CG1 3.24Å; F320-V323 PolarHBondContact O-N 3.07Å; F320-V323 VanDerWaalsContact O-N 3.09Å; V323-I326 HydrophobicContact CG1-CD1 4.07Å; V323-I326 HydrophobicContact CG2-CD1 3.8Å; V323-I326 HydrophobicContact CG2-CG1 3.48Å; V323-I326 VanDerWaalsContact CG2-CG1 3.48Å; V323-H346 HydrophobicContact CG1-CB 4.24Å; V323-Q349 VanDerWaalsContact N-NE2 3.17Å; V323-Q349 PolarHBondContact O-NE2 2.91Å; V323-L350 HydrophobicContact CG1-CD2 3.8Å; V323-L350 HydrophobicContact CG2-CD2 4.31Å
324K98.7Very high97.5Very high79 Ų7938.4 Ų38.434%0.34321%0.207SC..  trans-119.9-28.7179.1-61.1-53.7-179.2-169.60112.5T296 Q322 Q349 H351 G352T296-K324 WeakPolarHBondContact O-CA 3.17Å; T296-K324 WeakPolarHBondContact O-CB 3.45Å; T296-K324 PolarHBondContact O-N 2.79Å; Q322-K324 PolarHBondContact O-N 2.92Å; K324-Q349 WeakPolarHBondContact CD-O 3.2Å; K324-H351 WeakPolarHBondContact O-CA 3.22Å; K324-H351 PolarHBondContact O-N 3.38Å; K324-G352 PolarHBondContact O-N 3.39Å
325A98.9Very high97.4Very high1 Ų141.5 Ų41.51%0.00822%0.224CC..EExtended strand (participates in β ladder)trans-141.1134.1179.100000110.4T296 Y297 L298 G352 I480 L483T296-A325 PolarHBondContact O-N 2.96Å; T296-A325 VanDerWaalsContact O-N 3.14Å; Y297-A325 WeakPolarHBondContact CA-O 3.28Å; Y297-A325 HydrophobicContact CD2-CB 3.56Å; Y297-A325 HydrophobicContact CE2-CB 4.07Å; Y297-A325 HydrophobicContact CG-CB 4.27Å; L298-A325 PolarHBondContact N-O 3.12Å; A325-G352 WeakPolarHBondContact CA-O 3.14Å; A325-I480 HydrophobicContact CB-CB 4.29Å; A325-I480 HydrophobicContact CB-CD1 3.83Å; A325-L483 HydrophobicContact CB-CB 4.17Å; A325-L483 HydrophobicContact CB-CD1 3.76Å
326I98.8Very high97.3Very high1 Ų144.3 Ų44.31%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-132.5127.9178-65.6-179.2000108.8L298 F320 V323 L328 L342 L350 G352 L353 M354L298-I326 CarbonylContact O-C 2.86Å; L298-I326 VanDerWaalsContact O-CA 3.29Å; L298-I326 WeakPolarHBondContact O-CA 3.33Å; F320-I326 HydrophobicContact CD1-CD1 4.32Å; F320-I326 HydrophobicContact CE1-CD1 4.36Å; V323-I326 HydrophobicContact CG1-CD1 4.07Å; V323-I326 HydrophobicContact CG2-CD1 3.8Å; V323-I326 HydrophobicContact CG2-CG1 3.48Å; V323-I326 VanDerWaalsContact CG2-CG1 3.48Å; I326-L328 HydrophobicContact CG2-CD1 3.67Å; I326-L328 HydrophobicContact CG2-CD2 4.41Å; I326-L328 HydrophobicContact CG2-CG 3.55Å; I326-L342 HydrophobicContact CD1-CD1 4.11Å; I326-L342 HydrophobicContact CD1-CD2 3.93Å; I326-L342 HydrophobicContact CD1-CG 4.42Å; I326-L350 HydrophobicContact CD1-CD2 4.09Å; I326-L350 HydrophobicContact CG1-CD2 4Å; I326-G352 PolarHBondContact N-O 2.93Å; I326-G352 VanDerWaalsContact N-O 3.08Å; I326-L353 HydrophobicContact CB-CD1 4.41Å; I326-L353 WeakPolarHBondContact O-CA 3.26Å; I326-M354 PolarHBondContact O-N 2.91Å
327D98.8Very high97.3Very high14 Ų1443 Ų438%0.07523%0.225CC..EExtended strand (participates in β ladder)trans-115.6115.7164.3-172.6-5.2000109.6L298 A299 A300 S329 M354 I480L298-D327 PolarHBondContact O-N 2.91Å; A299-D327 HydrophobicContact CB-CB 3.82Å; A300-D327 PolarHBondContact N-O 3.46Å; D327-S329 WeakPolarHBondContact OD1-CB 3.47Å; D327-S329 PolarHBondContact OD1-N 2.87Å; D327-S329 PolarHBondContact OD1-OG 2.91Å; D327-M354 HydrophobicContact CB-CB 3.98Å; D327-M354 HydrophobicContact CB-SD 4.45Å; D327-M354 VanDerWaalsContact OD1-CB 3.3Å; D327-M354 WeakPolarHBondContact OD1-CB 3.13Å; D327-M354 WeakPolarHBondContact OD2-CE 3.15Å; D327-I480 HydrophobicContact CB-CD1 3.73Å; D327-I480 HydrophobicContact CB-CG1 4.3Å
328L98.4Very high97.3Very high1 Ų140.4 Ų40.41%0.00521%0.207CC..  trans-127.230.6172.9-60.7169.2000109.3A300 F306 L311 I326 T331 L334 L342 M354 L355 K358A300-L328 HydrophobicContact CB-CD2 4.23Å; F306-L328 HydrophobicContact CD1-CD2 4.07Å; F306-L328 HydrophobicContact CE1-CD2 3.77Å; F306-L328 HydrophobicContact CZ-CD2 4.05Å; L311-L328 HydrophobicContact CD1-CD1 4.25Å; L311-L328 HydrophobicContact CD2-CD1 4.47Å; I326-L328 HydrophobicContact CG2-CD1 3.67Å; I326-L328 HydrophobicContact CG2-CD2 4.41Å; I326-L328 HydrophobicContact CG2-CG 3.55Å; L328-T331 PolarHBondContact O-OG1 3.28Å; L328-L334 HydrophobicContact CB-CD1 4.02Å; L328-L334 HydrophobicContact CD1-CD1 3.85Å; L328-L334 HydrophobicContact CD2-CD1 4.19Å; L328-L334 HydrophobicContact CG-CD1 4.23Å; L328-L342 HydrophobicContact CD1-CD2 4.22Å; L328-M354 PolarHBondContact N-O 3.44Å; L328-L355 HydrophobicContact CB-CD2 3.96Å; L328-K358 WeakPolarHBondContact O-CE 3.46Å
329S97.5Very high97.4Very high4 Ų439.8 Ų39.83%0.02820%0.2CC..THydrogen-bonded Turntrans-59.5149.2175.757.80000111.5G301 H302 D327 T331 M354 H356G301-S329 CarbonylContact C-O 3.49Å; G301-S329 VanDerWaalsContact CA-O 3.22Å; G301-S329 WeakPolarHBondContact CA-O 3.31Å; H302-S329 PolarHBondContact N-O 3.25Å; D327-S329 WeakPolarHBondContact OD1-CB 3.47Å; D327-S329 PolarHBondContact OD1-N 2.87Å; D327-S329 PolarHBondContact OD1-OG 2.91Å; S329-T331 PolarHBondContact O-N 2.95Å; S329-M354 PolarHBondContact N-O 2.97Å; S329-H356 CarbonylContact C-O 3.56Å; S329-H356 VanDerWaalsContact CA-O 3.25Å; S329-H356 WeakPolarHBondContact CA-O 3.3Å; S329-H356 WeakPolarHBondContact CB-CE1 3.31Å; S329-H356 WeakPolarHBondContact CB-ND1 3.37Å
330H96.2Very high97.4Very high55 Ų5539 Ų3926%0.25520%0.198SC..THydrogen-bonded Turntrans50.532.9174.9-64.2-84.5000115.7H302 P332 H356 G357H302-H330 VanDerWaalsContact CE1-CB 3.44Å; H302-H330 WeakPolarHBondContact CE1-CB 2.98Å; H302-H330 AromaticContact CE1-CD2 3.52Å; H302-H330 AromaticContact CE1-CG 3.29Å; H302-H330 AromaticContact CE1-ND1 3.76Å; H302-H330 WeakPolarHBondContact ND1-CB 3.34Å; H302-H330 AromaticContact ND1-CG 3.86Å; H302-H330 AromaticContact NE2-CD2 3.2Å; H302-H330 PolarHBondContact NE2-CD2 3.33Å; H302-H330 AromaticContact NE2-CG 3.43Å; H302-H330 AromaticContact NE2-NE2 3.98Å; H330-P332 WeakPolarHBondContact O-CD 3.46Å; H330-H356 AromaticContact CD2-CD2 3.65Å; H330-H356 AromaticContact CD2-NE2 3.61Å; H330-H356 PolarHBondContact N-O 3.13Å; H330-H356 AromaticContact NE2-CD2 3.28Å; H330-H356 PolarHBondContact NE2-CD2 3.5Å; H330-H356 VanDerWaalsContact NE2-CD2 3.28Å; H330-H356 AromaticContact NE2-NE2 3.57Å; H330-G357 VanDerWaalsContact CE1-CA 3.42Å; H330-G357 WeakPolarHBondContact CE1-CA 3.15Å
331T96.7Very high97.4Very high1 Ų141.9 Ų41.91%0.00621%0.214CC..  trans-100.794.617545.30000110.7A300 F306 L328 S329 A333 L334 K358A300-T331 WeakPolarHBondContact O-CG2 3.37Å; F306-T331 HydrophobicContact CB-CG2 4.31Å; L328-T331 PolarHBondContact O-OG1 3.28Å; S329-T331 PolarHBondContact O-N 2.95Å; T331-A333 VanDerWaalsContact C-N 3.28Å; T331-A333 PolarHBondContact O-N 3.28Å; T331-L334 PolarHBondContact O-N 2.87Å; T331-L334 WeakPolarHBondContact OG1-CD1 3.33Å; T331-K358 PolarHBondContact O-NZ 2.93Å; T331-K358 WeakPolarHBondContact OG1-CE 3.28Å; T331-K358 PolarHBondContact OG1-NZ 2.98Å
332P93.2Very high97.4Very high100 Ų10034.7 Ų34.765%0.64918%0.182SC*.THydrogen-bonded Turntrans-66.8-24.9-172.625.8-36.1000114.1D304 H330 L334D304-P332 HydrophobicContact CB-CG 4.47Å; D304-P332 WeakPolarHBondContact OD1-CD 3.47Å; D304-P332 WeakPolarHBondContact OD1-CG 3.47Å; H330-P332 WeakPolarHBondContact O-CD 3.46Å; P332-L334 VanDerWaalsContact C-N 3.27Å; P332-L334 PolarHBondContact O-N 2.93Å
333A95.9Very high97.5Very high35 Ų3529.9 Ų29.929%0.28916%0.16SC..THydrogen-bonded Turntrans-80.20.1-179.300000114.9D304 T307 D308 T331D304-A333 VanDerWaalsContact O-CB 3.25Å; D304-A333 WeakPolarHBondContact O-CB 3.3Å; T307-A333 HydrophobicContact CG2-CB 4.09Å; D308-A333 PolarHBondContact N-O 3.44Å; T331-A333 VanDerWaalsContact C-N 3.28Å; T331-A333 PolarHBondContact O-N 3.28Å
334L96.3Very high97.4Very high7 Ų734.2 Ų34.24%0.03718%0.179CC..  trans-99.4127.1174-70.9-176.4000111.8F306 T307 L311 L328 T331 P332 I339F306-L334 HydrophobicContact CD1-CD1 3.93Å; F306-L334 HydrophobicContact CD1-CD2 4Å; F306-L334 HydrophobicContact CD1-CG 4.14Å; F306-L334 HydrophobicContact CE1-CD1 4.3Å; F306-L334 HydrophobicContact CE1-CD2 4.38Å; F306-L334 WeakPolarHBondContact O-CG 3.41Å; T307-L334 WeakPolarHBondContact O-CD2 3.34Å; L311-L334 HydrophobicContact CB-CD2 3.92Å; L311-L334 HydrophobicContact CD2-CD1 4.35Å; L311-L334 HydrophobicContact CD2-CD2 4.02Å; L328-L334 HydrophobicContact CB-CD1 4.02Å; L328-L334 HydrophobicContact CD1-CD1 3.85Å; L328-L334 HydrophobicContact CD2-CD1 4.19Å; L328-L334 HydrophobicContact CG-CD1 4.23Å; T331-L334 PolarHBondContact O-N 2.87Å; T331-L334 WeakPolarHBondContact OG1-CD1 3.33Å; P332-L334 VanDerWaalsContact C-N 3.27Å; P332-L334 PolarHBondContact O-N 2.93Å; L334-I339 HydrophobicContact CB-CD1 4.1Å; L334-I339 HydrophobicContact CB-CG1 4.42Å; L334-I339 HydrophobicContact CD1-CG1 4.48Å
335N95.5Very high97.4Very high66 Ų6635.2 Ų35.235%0.35319%0.187SC..  trans-92.5167.117676.947.4000113.1D308 Q337 S338 I339D308-N335 VanDerWaalsContact CG-CG 3.44Å; D308-N335 PolarHBondContact OD1-N 3.2Å; D308-N335 PolarHBondContact OD1-ND2 2.97Å; D308-N335 PolarHBondContact OD1-OD1 2.81Å; D308-N335 VanDerWaalsContact OD2-CG 3.26Å; D308-N335 PolarHBondContact OD2-N 2.66Å; D308-N335 PolarHBondContact OD2-ND2 2.97Å; N335-Q337 VanDerWaalsContact C-N 3.3Å; N335-Q337 PolarHBondContact O-N 2.68Å; N335-Q337 WeakPolarHBondContact OD1-CA 3.42Å; N335-Q337 WeakPolarHBondContact OD1-CB 3.3Å; N335-Q337 PolarHBondContact OD1-N 2.97Å; N335-S338 PolarHBondContact OD1-N 3.34Å; N335-S338 PolarHBondContact OD1-OG 3.16Å; N335-I339 WeakPolarHBondContact O-CG1 3.25Å; N335-I339 PolarHBondContact O-N 3.48Å
336E95.8Very high97.4Very high70 Ų7036.2 Ų36.233%0.32719%0.192SC..Hα-helixtrans-61.1-35.8-178.9-173.8179.5144.600113.2T340 L361 F365E336-T340 VanDerWaalsContact O-CB 3.29Å; E336-T340 WeakPolarHBondContact O-CB 3.07Å; E336-T340 PolarHBondContact O-N 3.41Å; E336-T340 PolarHBondContact O-OG1 3.36Å; E336-L361 HydrophobicContact CB-CD2 3.95Å; E336-L361 HydrophobicContact CG-CD2 3.86Å; E336-F365 HydrophobicContact CG-CB 4.3Å; E336-F365 HydrophobicContact CG-CD2 3.45Å; E336-F365 VanDerWaalsContact CG-CD2 3.45Å; E336-F365 HydrophobicContact CG-CE2 4.12Å; E336-F365 HydrophobicContact CG-CG 4.17Å
337Q97.7Very high97.4Very high113 Ų11336.2 Ų36.253%0.52819%0.192SC..Hα-helixtrans-70-46.5-173.5-176.460.459.900111.9N335 I339 T340 N341N335-Q337 VanDerWaalsContact C-N 3.3Å; N335-Q337 PolarHBondContact O-N 2.68Å; N335-Q337 WeakPolarHBondContact OD1-CA 3.42Å; N335-Q337 WeakPolarHBondContact OD1-CB 3.3Å; N335-Q337 PolarHBondContact OD1-N 2.97Å; Q337-I339 VanDerWaalsContact C-N 3.35Å; Q337-I339 PolarHBondContact O-N 2.89Å; Q337-T340 PolarHBondContact O-N 2.84Å; Q337-N341 PolarHBondContact NE2-OD1 3.19Å; Q337-N341 VanDerWaalsContact O-CG 3.24Å; Q337-N341 PolarHBondContact O-N 2.94Å; Q337-N341 PolarHBondContact O-OD1 2.84Å
338S98.1Very high97.3Very high5 Ų541 Ų414%0.03521%0.214CC..Hα-helixtrans-63.9-42.1179-49.70000111.1D308 N312 N335 N341 L342D308-S338 WeakPolarHBondContact CB-OG 3.38Å; D308-S338 VanDerWaalsContact CG-OG 3.27Å; D308-S338 WeakPolarHBondContact OD1-CB 3.42Å; D308-S338 PolarHBondContact OD1-OG 2.99Å; N312-S338 PolarHBondContact ND2-OG 3.24Å; N335-S338 PolarHBondContact OD1-N 3.34Å; N335-S338 PolarHBondContact OD1-OG 3.16Å; S338-N341 PolarHBondContact O-N 3.22Å; S338-L342 PolarHBondContact O-N 2.77Å
339I98.4Very high97.3Very high0 Ų042.5 Ų42.50%022%0.22CC..Hα-helixtrans-64.1-43.5175.7-61.3170.5000110.5L311 L334 N335 Q337 N341 L342 L343 L355 K358 L361 F365L311-I339 HydrophobicContact CD2-CG1 4.29Å; L334-I339 HydrophobicContact CB-CD1 4.1Å; L334-I339 HydrophobicContact CB-CG1 4.42Å; L334-I339 HydrophobicContact CD1-CG1 4.48Å; N335-I339 WeakPolarHBondContact O-CG1 3.25Å; N335-I339 PolarHBondContact O-N 3.48Å; Q337-I339 VanDerWaalsContact C-N 3.35Å; Q337-I339 PolarHBondContact O-N 2.89Å; I339-N341 VanDerWaalsContact C-N 3.29Å; I339-N341 PolarHBondContact O-N 3.35Å; I339-L342 WeakPolarHBondContact O-CB 3.16Å; I339-L342 PolarHBondContact O-N 3.01Å; I339-L343 HydrophobicContact CG2-CD1 4.08Å; I339-L343 HydrophobicContact CG2-CG 4.32Å; I339-L343 WeakPolarHBondContact O-CG 3.24Å; I339-L343 PolarHBondContact O-N 3.4Å; I339-L355 HydrophobicContact CD1-CD2 4.35Å; I339-L355 HydrophobicContact CG2-CD1 3.69Å; I339-L355 HydrophobicContact CG2-CD2 4.11Å; I339-K358 HydrophobicContact CD1-CD 4Å; I339-L361 HydrophobicContact CD1-CD1 4.05Å; I339-F365 HydrophobicContact CB-CE2 4.49Å; I339-F365 HydrophobicContact CG2-CE2 4.08Å; I339-F365 HydrophobicContact CG2-CZ 3.68Å
340T98.4Very high97.4Very high12 Ų1242.3 Ų42.37%0.07422%0.219CC..Hα-helixtrans-59.1-41.5176.3-62.50000111.4E336 Q337 L343 K344 F365 V369E336-T340 VanDerWaalsContact O-CB 3.29Å; E336-T340 WeakPolarHBondContact O-CB 3.07Å; E336-T340 PolarHBondContact O-N 3.41Å; E336-T340 PolarHBondContact O-OG1 3.36Å; Q337-T340 PolarHBondContact O-N 2.84Å; T340-L343 PolarHBondContact O-N 3.16Å; T340-K344 HydrophobicContact CG2-CD 4.07Å; T340-K344 HydrophobicContact CG2-CG 4.42Å; T340-K344 WeakPolarHBondContact O-CB 3.06Å; T340-K344 VanDerWaalsContact O-CG 3.29Å; T340-K344 WeakPolarHBondContact O-CG 3.42Å; T340-K344 PolarHBondContact O-N 2.94Å; T340-F365 WeakPolarHBondContact OG1-CE2 3.28Å; T340-V369 HydrophobicContact CG2-CG1 4.31Å
341N98Very high97.5Very high62 Ų6242.3 Ų42.333%0.33222%0.219SC..Hα-helixtrans-64.1-47.8177.5-69.1-14.1000111.7Q337 S338 I339 L343 K344 L345Q337-N341 PolarHBondContact NE2-OD1 3.19Å; Q337-N341 VanDerWaalsContact O-CG 3.24Å; Q337-N341 PolarHBondContact O-N 2.94Å; Q337-N341 PolarHBondContact O-OD1 2.84Å; S338-N341 PolarHBondContact O-N 3.22Å; I339-N341 VanDerWaalsContact C-N 3.29Å; I339-N341 PolarHBondContact O-N 3.35Å; N341-L343 VanDerWaalsContact C-N 3.32Å; N341-L343 PolarHBondContact O-N 3.26Å; N341-K344 PolarHBondContact O-N 2.99Å; N341-L345 WeakPolarHBondContact O-CB 3.48Å; N341-L345 WeakPolarHBondContact O-CG 3.43Å; N341-L345 PolarHBondContact O-N 3.43Å
342L98.5Very high97.6Very high1 Ų142.3 Ų42.31%0.00522%0.219CC..Hα-helixtrans-52.1-51.1173.5171.375.8000111.1L311 C315 F320 I326 L328 S338 I339 L345 H346L311-L342 HydrophobicContact CD1-CD1 4.3Å; L311-L342 HydrophobicContact CD1-CD2 4.08Å; L311-L342 HydrophobicContact CD2-CB 4.46Å; L311-L342 HydrophobicContact CD2-CD2 4.42Å; C315-L342 VanDerWaalsContact SG-CD1 3.59Å; F320-L342 HydrophobicContact CD2-CD1 3.62Å; F320-L342 HydrophobicContact CE2-CD1 3.92Å; F320-L342 HydrophobicContact CG-CD1 4.15Å; I326-L342 HydrophobicContact CD1-CD1 4.11Å; I326-L342 HydrophobicContact CD1-CD2 3.93Å; I326-L342 HydrophobicContact CD1-CG 4.42Å; L328-L342 HydrophobicContact CD1-CD2 4.22Å; S338-L342 PolarHBondContact O-N 2.77Å; I339-L342 WeakPolarHBondContact O-CB 3.16Å; I339-L342 PolarHBondContact O-N 3.01Å; L342-L345 PolarHBondContact O-N 2.65Å; L342-H346 PolarHBondContact O-N 2.92Å
343L98.7Very high97.9Very high0 Ų037.5 Ų37.50%019%0.188CC..Hα-helixtrans-70.9-33.4-175.7-64-177.6000112.7I339 T340 N341 L345 G347 L350 L353 L355 F365 V369 Y372 L373I339-L343 HydrophobicContact CG2-CD1 4.08Å; I339-L343 HydrophobicContact CG2-CG 4.32Å; I339-L343 WeakPolarHBondContact O-CG 3.24Å; I339-L343 PolarHBondContact O-N 3.4Å; T340-L343 PolarHBondContact O-N 3.16Å; N341-L343 VanDerWaalsContact C-N 3.32Å; N341-L343 PolarHBondContact O-N 3.26Å; L343-L345 VanDerWaalsContact C-N 3.34Å; L343-G347 WeakPolarHBondContact O-CA 3.25Å; L343-G347 PolarHBondContact O-N 3.26Å; L343-L350 HydrophobicContact CD2-CD1 3.78Å; L343-L353 HydrophobicContact CD1-CD2 4.02Å; L343-L353 HydrophobicContact CD2-CD1 4.02Å; L343-L353 HydrophobicContact CD2-CD2 3.74Å; L343-L355 HydrophobicContact CD1-CD1 4.05Å; L343-F365 HydrophobicContact CD1-CZ 4.02Å; L343-V369 HydrophobicContact CB-CB 4.35Å; L343-V369 HydrophobicContact CB-CG1 4.48Å; L343-V369 HydrophobicContact CD1-CB 3.77Å; L343-V369 HydrophobicContact CD1-CG1 4.06Å; L343-V369 HydrophobicContact CD1-CG2 3.78Å; L343-Y372 WeakPolarHBondContact O-CB 3.38Å; L343-L373 HydrophobicContact CD2-CD2 4.23Å
344K98.1Very high98Very high92 Ų9236.3 Ų36.340%0.418%0.176SC..Hα-helixtrans-63.5-41.1171.9-78.2178.5176.1175.70111.9T340 N341 Y372T340-K344 HydrophobicContact CG2-CD 4.07Å; T340-K344 HydrophobicContact CG2-CG 4.42Å; T340-K344 WeakPolarHBondContact O-CB 3.06Å; T340-K344 VanDerWaalsContact O-CG 3.29Å; T340-K344 WeakPolarHBondContact O-CG 3.42Å; T340-K344 PolarHBondContact O-N 2.94Å; N341-K344 PolarHBondContact O-N 2.99Å; K344-Y372 HydrophobicContact CB-CE1 4.48Å; K344-Y372 HydrophobicContact CG-CD2 4.16Å; K344-Y372 HydrophobicContact CG-CE1 4.12Å; K344-Y372 HydrophobicContact CG-CE2 3.72Å
345L97.8Very high98.1Very high99 Ų9936 Ų3652%0.51818%0.175SC..Hα-helixtrans-76.8-45-178.1-69.8171.1000112.5N341 L342 L343 H348N341-L345 WeakPolarHBondContact O-CB 3.48Å; N341-L345 WeakPolarHBondContact O-CG 3.43Å; N341-L345 PolarHBondContact O-N 3.43Å; L342-L345 PolarHBondContact O-N 2.65Å; L343-L345 VanDerWaalsContact C-N 3.34Å; L345-H348 PolarHBondContact O-CE1 2.93Å; L345-H348 PolarHBondContact O-ND1 3.39Å
346H98.4Very high98.1Very high23 Ų2333.8 Ų33.811%0.10616%0.162CC..Hα-helixtrans-121-4.1-167.8-61.1-66.5000114.5F320 V323 L342 H348 Q349F320-H346 PolarHBondContact O-ND1 3.38Å; V323-H346 HydrophobicContact CG1-CB 4.24Å; L342-H346 PolarHBondContact O-N 2.92Å; H346-H348 PolarHBondContact O-N 2.78Å; H346-Q349 WeakPolarHBondContact O-CG 3.21Å; H346-Q349 PolarHBondContact O-N 2.93Å
347G98.4Very high98Very high0 Ų031.6 Ų31.60%016%0.159CC..G310 helixtrans-59.1-32.9-176.900000114L343 Q349 L350 Y372L343-G347 WeakPolarHBondContact O-CA 3.25Å; L343-G347 PolarHBondContact O-N 3.26Å; G347-Q349 PolarHBondContact O-N 3.35Å; G347-Q349 VanDerWaalsContact O-N 3.1Å; G347-L350 PolarHBondContact O-N 3.33Å; G347-L350 VanDerWaalsContact O-N 3.14Å; G347-Y372 CarbonylContact C-O 3.25Å; G347-Y372 VanDerWaalsContact O-O 3.11Å
348H98Very high97.7Very high116 Ų11626.8 Ų26.854%0.53714%0.136SC..G310 helixtrans-64.6-19.4-175.165.4-87.8000113.6L345 H346 Y372 A375L345-H348 PolarHBondContact O-CE1 2.93Å; L345-H348 PolarHBondContact O-ND1 3.39Å; H346-H348 PolarHBondContact O-N 2.78Å; H348-Y372 WeakPolarHBondContact CA-O 3.35Å; H348-Y372 PolarHBondContact N-O 3.22Å; H348-A375 VanDerWaalsContact O-CB 3.31Å; H348-A375 WeakPolarHBondContact O-CB 3.22Å
349Q98Very high97.1Very high32 Ų3228.1 Ų28.115%0.1515%0.147CC..G310 helixtrans-109-4.7179.860174.86000114F320 K321 V323 K324 H346 G347F320-Q349 PolarHBondContact O-NE2 2.76Å; F320-Q349 VanDerWaalsContact O-NE2 3.16Å; K321-Q349 PolarHBondContact O-NE2 2.7Å; K321-Q349 VanDerWaalsContact O-NE2 3.09Å; K321-Q349 PolarHBondContact O-OE1 3.06Å; V323-Q349 VanDerWaalsContact N-NE2 3.17Å; V323-Q349 PolarHBondContact O-NE2 2.91Å; K324-Q349 WeakPolarHBondContact CD-O 3.2Å; H346-Q349 WeakPolarHBondContact O-CG 3.21Å; H346-Q349 PolarHBondContact O-N 2.93Å; G347-Q349 PolarHBondContact O-N 3.35Å; G347-Q349 VanDerWaalsContact O-N 3.1Å
350L98.8Very high96.6Very high0 Ų032.3 Ų32.30%017%0.173CC..  trans-73132.3179-74.2177.9000111V323 I326 L343 G347 L353 A375 I376V323-L350 HydrophobicContact CG1-CD2 3.8Å; V323-L350 HydrophobicContact CG2-CD2 4.31Å; I326-L350 HydrophobicContact CD1-CD2 4.09Å; I326-L350 HydrophobicContact CG1-CD2 4Å; L343-L350 HydrophobicContact CD2-CD1 3.78Å; G347-L350 PolarHBondContact O-N 3.33Å; G347-L350 VanDerWaalsContact O-N 3.14Å; L350-L353 HydrophobicContact CD1-CD1 4.32Å; L350-A375 CarbonylContact O-C 3.2Å; L350-A375 WeakPolarHBondContact O-CB 3.15Å; L350-I376 HydrophobicContact CB-CD1 4.35Å; L350-I376 WeakPolarHBondContact O-CA 3.32Å; L350-I376 PolarHBondContact O-N 2.96Å
351H98.8Very high96.3Very high55 Ų5531.8 Ų31.826%0.25517%0.169SC..SBendtrans-100.3-25.7168.8-60.4138.9000112K324 A375 K377 V378 L483K324-H351 WeakPolarHBondContact O-CA 3.22Å; K324-H351 PolarHBondContact O-N 3.38Å; H351-A375 PolarHBondContact CD2-O 3.12Å; H351-K377 HydrophobicContact CB-CD 4.3Å; H351-K377 HydrophobicContact CB-CG 4.34Å; H351-K377 WeakPolarHBondContact O-CA 3.37Å; H351-K377 WeakPolarHBondContact O-CB 3.44Å; H351-K377 PolarHBondContact O-N 2.93Å; H351-V378 PolarHBondContact O-N 2.92Å; H351-L483 HydrophobicContact CB-CD1 4.01Å; H351-L483 HydrophobicContact CB-CD2 4.09Å
352G98.9Very high96Very high0 Ų030 Ų300%016%0.164CC..EExtended strand (participates in β ladder)trans-132.9134.9179.800000112.1K324 A325 I326 V378K324-G352 PolarHBondContact O-N 3.39Å; A325-G352 WeakPolarHBondContact CA-O 3.14Å; I326-G352 PolarHBondContact N-O 2.93Å; I326-G352 VanDerWaalsContact N-O 3.08Å; G352-V378 CarbonylContact C-O 3.54Å; G352-V378 WeakPolarHBondContact CA-O 3.44Å
353L98.9Very high95.6Very high0 Ų031 Ų310%017%0.168CC..EExtended strand (participates in β ladder)trans-146.1120176.7-178.563.4000111I326 L343 L350 L355 W366 L373 I376 V378 C379 V380I326-L353 HydrophobicContact CB-CD1 4.41Å; I326-L353 WeakPolarHBondContact O-CA 3.26Å; L343-L353 HydrophobicContact CD1-CD2 4.02Å; L343-L353 HydrophobicContact CD2-CD1 4.02Å; L343-L353 HydrophobicContact CD2-CD2 3.74Å; L350-L353 HydrophobicContact CD1-CD1 4.32Å; L353-L355 HydrophobicContact CD1-CD1 3.93Å; L353-L355 HydrophobicContact CD1-CD2 4.32Å; L353-L355 HydrophobicContact CD1-CG 3.79Å; L353-L355 HydrophobicContact CD2-CD1 3.87Å; L353-L355 HydrophobicContact CD2-CG 4.41Å; L353-L355 HydrophobicContact CG-CD1 4Å; L353-L355 HydrophobicContact CG-CG 3.98Å; L353-W366 HydrophobicContact CD2-CZ3 4.46Å; L353-L373 HydrophobicContact CD2-CD1 3.86Å; L353-L373 HydrophobicContact CD2-CD2 4.08Å; L353-I376 HydrophobicContact CB-CD1 3.75Å; L353-V378 PolarHBondContact N-O 3Å; L353-C379 VanDerWaalsContact O-CA 3.28Å; L353-C379 WeakPolarHBondContact O-CA 3.17Å; L353-V380 PolarHBondContact O-N 3.06Å
354M98.7Very high95.4Very high9 Ų939.3 Ų39.34%0.04420%0.201CC..EExtended strand (participates in β ladder)trans-118.4116.7173.3-64.4177.456.100109.2I326 D327 L328 S329 V380 I480I326-M354 PolarHBondContact O-N 2.91Å; D327-M354 HydrophobicContact CB-CB 3.98Å; D327-M354 HydrophobicContact CB-SD 4.45Å; D327-M354 VanDerWaalsContact OD1-CB 3.3Å; D327-M354 WeakPolarHBondContact OD1-CB 3.13Å; D327-M354 WeakPolarHBondContact OD2-CE 3.15Å; L328-M354 PolarHBondContact N-O 3.44Å; S329-M354 PolarHBondContact N-O 2.97Å; M354-V380 HydrophobicContact CB-CB 4.29Å; M354-V380 HydrophobicContact CE-CG2 4.31Å; M354-V380 HydrophobicContact CG-CB 3.86Å; M354-V380 HydrophobicContact CG-CG2 3.69Å; M354-V380 HydrophobicContact SD-CG2 4.24Å; M354-I480 HydrophobicContact CG-CG2 3.77Å; M354-I480 HydrophobicContact SD-CB 4.19Å; M354-I480 HydrophobicContact SD-CG1 3.78Å; M354-I480 HydrophobicContact SD-CG2 3.82Å; M354-I480 PolarHBondContact SD-N 3.45Å
355L98.1Very high95.3Very high2 Ų235 Ų351%0.0118%0.182CC..  trans-134.622-179.4-68.5176.7000111.8L328 I339 L343 L353 L361 F365 W366 V380L328-L355 HydrophobicContact CB-CD2 3.96Å; I339-L355 HydrophobicContact CD1-CD2 4.35Å; I339-L355 HydrophobicContact CG2-CD1 3.69Å; I339-L355 HydrophobicContact CG2-CD2 4.11Å; L343-L355 HydrophobicContact CD1-CD1 4.05Å; L353-L355 HydrophobicContact CD1-CD1 3.93Å; L353-L355 HydrophobicContact CD1-CD2 4.32Å; L353-L355 HydrophobicContact CD1-CG 3.79Å; L353-L355 HydrophobicContact CD2-CD1 3.87Å; L353-L355 HydrophobicContact CD2-CG 4.41Å; L353-L355 HydrophobicContact CG-CD1 4Å; L353-L355 HydrophobicContact CG-CG 3.98Å; L355-L361 HydrophobicContact CB-CD1 4.11Å; L355-L361 HydrophobicContact CD1-CD1 4.38Å; L355-F365 HydrophobicContact CD1-CE1 4.26Å; L355-F365 HydrophobicContact CD1-CZ 4.14Å; L355-W366 HydrophobicContact CB-CH2 3.88Å; L355-W366 HydrophobicContact CB-CZ2 3.86Å; L355-W366 HydrophobicContact CD1-CH2 3.91Å; L355-W366 HydrophobicContact CD1-CZ2 4.31Å; L355-W366 HydrophobicContact CG-CH2 4.38Å; L355-V380 PolarHBondContact N-O 2.82Å
356H95.7Very high95.3Very high19 Ų1930.3 Ų30.39%0.08816%0.158CC..THydrogen-bonded Turntrans-72.3167.517868.5-83.2000111.8S329 H330 K358 V380 G382 Q417S329-H356 CarbonylContact C-O 3.56Å; S329-H356 VanDerWaalsContact CA-O 3.25Å; S329-H356 WeakPolarHBondContact CA-O 3.3Å; S329-H356 WeakPolarHBondContact CB-CE1 3.31Å; S329-H356 WeakPolarHBondContact CB-ND1 3.37Å; H330-H356 AromaticContact CD2-CD2 3.65Å; H330-H356 AromaticContact CD2-NE2 3.61Å; H330-H356 PolarHBondContact N-O 3.13Å; H330-H356 AromaticContact NE2-CD2 3.28Å; H330-H356 PolarHBondContact NE2-CD2 3.5Å; H330-H356 VanDerWaalsContact NE2-CD2 3.28Å; H330-H356 AromaticContact NE2-NE2 3.57Å; H356-K358 VanDerWaalsContact C-N 3.29Å; H356-K358 PolarHBondContact O-N 3.37Å; H356-V380 HydrophobicContact CB-CG1 3.92Å; H356-V380 VanDerWaalsContact ND1-CG1 3.3Å; H356-V380 WeakPolarHBondContact ND1-CG1 3.38Å; H356-G382 CarbonylContact C-O 3.45Å; H356-G382 WeakPolarHBondContact CA-O 3.21Å; H356-G382 VanDerWaalsContact CB-O 3.24Å; H356-G382 WeakPolarHBondContact CB-O 3.3Å; H356-Q417 HydrophobicContact CB-CG 4.5Å; H356-Q417 PolarHBondContact CD2-NE2 2.98Å; H356-Q417 PolarHBondContact CD2-OE1 3.09Å
357G93.2Very high95.2Very high24 Ų2431.1 Ų31.125%0.24716%0.164CC..THydrogen-bonded Turntrans78.39.5-176.700000114.6H330 G382H330-G357 VanDerWaalsContact CE1-CA 3.42Å; H330-G357 WeakPolarHBondContact CE1-CA 3.15Å; G357-G382 PolarHBondContact N-O 3.47Å
358K91.8Very high95.2Very high12 Ų1233.3 Ų33.35%0.05218%0.177CC..  trans-112.698.6-179.4-63.5176.2176.4-71.10111.7L328 T331 I339 H356 T360 L361L328-K358 WeakPolarHBondContact O-CE 3.46Å; T331-K358 PolarHBondContact O-NZ 2.93Å; T331-K358 WeakPolarHBondContact OG1-CE 3.28Å; T331-K358 PolarHBondContact OG1-NZ 2.98Å; I339-K358 HydrophobicContact CD1-CD 4Å; H356-K358 VanDerWaalsContact C-N 3.29Å; H356-K358 PolarHBondContact O-N 3.37Å; K358-T360 PolarHBondContact O-N 3.01Å; K358-T360 VanDerWaalsContact O-N 3.16Å; K358-L361 HydrophobicContact CB-CB 4.26Å; K358-L361 HydrophobicContact CB-CD1 3.89Å; K358-L361 HydrophobicContact CB-CG 3.78Å; K358-L361 HydrophobicContact CD-CD1 3.41Å; K358-L361 VanDerWaalsContact CD-CD1 3.41Å; K358-L361 HydrophobicContact CD-CG 4.06Å; K358-L361 HydrophobicContact CG-CD1 4.31Å; K358-L361 PolarHBondContact O-N 3.45Å; K358-L361 VanDerWaalsContact O-N 3.12Å
359A85.5Confident95.2Very high32 Ų3227.8 Ų27.826%0.26415%0.152SC..THydrogen-bonded Turntrans-56.2-31.9-17800000114.2H385 Y391A359-H385 WeakPolarHBondContact CB-NE2 3.11Å; A359-Y391 HydrophobicContact CB-CD2 4.42Å; A359-Y391 HydrophobicContact CB-CE2 4.13Å
360T87.7Confident95.2Very high88 Ų8826.2 Ų26.254%0.5415%0.145SC..THydrogen-bonded Turntrans-72.8-25.2-178.650.60000113.2K358 A362K358-T360 PolarHBondContact O-N 3.01Å; K358-T360 VanDerWaalsContact O-N 3.16Å; T360-A362 VanDerWaalsContact C-N 3.31Å; T360-A362 PolarHBondContact O-N 3.18Å
361L92.9Very high95.2Very high1 Ų128.7 Ų28.71%0.00516%0.161CC..  trans-83.273.3-177.5-58.3-169.7000111.5E336 I339 L355 K358 F365 W366 W418E336-L361 HydrophobicContact CB-CD2 3.95Å; E336-L361 HydrophobicContact CG-CD2 3.86Å; I339-L361 HydrophobicContact CD1-CD1 4.05Å; L355-L361 HydrophobicContact CB-CD1 4.11Å; L355-L361 HydrophobicContact CD1-CD1 4.38Å; K358-L361 HydrophobicContact CB-CB 4.26Å; K358-L361 HydrophobicContact CB-CD1 3.89Å; K358-L361 HydrophobicContact CB-CG 3.78Å; K358-L361 HydrophobicContact CD-CD1 3.41Å; K358-L361 VanDerWaalsContact CD-CD1 3.41Å; K358-L361 HydrophobicContact CD-CG 4.06Å; K358-L361 HydrophobicContact CG-CD1 4.31Å; K358-L361 PolarHBondContact O-N 3.45Å; K358-L361 VanDerWaalsContact O-N 3.12Å; L361-F365 HydrophobicContact CB-CD1 3.73Å; L361-F365 HydrophobicContact CB-CE1 4.11Å; L361-F365 HydrophobicContact CB-CG 4.28Å; L361-F365 HydrophobicContact CD1-CD1 4.23Å; L361-F365 HydrophobicContact CD1-CE1 3.75Å; L361-F365 HydrophobicContact CD1-CZ 4.04Å; L361-F365 HydrophobicContact CD2-CD1 3.93Å; L361-F365 HydrophobicContact CD2-CD2 3.91Å; L361-F365 HydrophobicContact CD2-CE1 4.05Å; L361-F365 HydrophobicContact CD2-CE2 3.98Å; L361-F365 HydrophobicContact CD2-CG 3.86Å; L361-F365 HydrophobicContact CD2-CZ 4.06Å; L361-F365 HydrophobicContact CG-CD1 4.17Å; L361-F365 HydrophobicContact CG-CE1 4.19Å; L361-W366 PolarHBondContact O-NE1 2.74Å; L361-W366 VanDerWaalsContact O-NE1 3.12Å; L361-W418 WeakPolarHBondContact O-CZ2 3.37Å
362A90.3Very high95.2Very high26 Ų2630.8 Ų30.822%0.21517%0.167CC..  trans-86.8-169.3-178.500000113.3T360 Y364 F365 W366 V395T360-A362 VanDerWaalsContact C-N 3.31Å; T360-A362 PolarHBondContact O-N 3.18Å; A362-Y364 VanDerWaalsContact C-N 3.31Å; A362-Y364 PolarHBondContact O-N 3.34Å; A362-F365 PolarHBondContact O-N 3.04Å; A362-W366 VanDerWaalsContact O-CD1 3.3Å; A362-W366 PolarHBondContact O-N 3.19Å; A362-V395 HydrophobicContact CB-CG2 4.46Å
363E91.2Very high95.2Very high22 Ų2230.8 Ų30.810%0.10317%0.167CC..Hα-helixtrans-48.9-45.1-176.6-171.1-170.2146.500114.4W366 T367 V395 H396 K399 I400E363-W366 PolarHBondContact O-N 3Å; E363-T367 HydrophobicContact CG-CG2 4.38Å; E363-T367 WeakPolarHBondContact O-CG2 3.46Å; E363-T367 PolarHBondContact O-N 3.47Å; E363-T367 PolarHBondContact O-OG1 3.15Å; E363-V395 HydrophobicContact CB-CG1 4.1Å; E363-H396 WeakPolarHBondContact OE2-CA 3.37Å; E363-H396 WeakPolarHBondContact OE2-CB 3.4Å; E363-H396 IonicContact OE2-CD2 3.52Å; E363-H396 PolarHBondContact OE2-CD2 2.92Å; E363-H396 VanDerWaalsContact OE2-CD2 3.3Å; E363-H396 IonicContact OE2-CG 3.44Å; E363-H396 PolarHBondContact OE2-N 3.21Å; E363-K399 HydrophobicContact CG-CB 4.4Å; E363-K399 WeakPolarHBondContact OE1-CD 3.46Å; E363-K399 WeakPolarHBondContact OE1-CE 3.5Å; E363-K399 WeakPolarHBondContact OE1-CG 3.43Å; E363-K399 IonicContact OE1-NZ 3.26Å; E363-K399 PolarHBondContact OE1-NZ 3.43Å; E363-I400 HydrophobicContact CG-CG1 4.27Å
364Y93.4Very high95.2Very high174 Ų17432.2 Ų32.268%0.68218%0.182SC*.Hα-helixtrans-63.9-45-176179.5-100.2000112.1A362 T367 T368A362-Y364 VanDerWaalsContact C-N 3.31Å; A362-Y364 PolarHBondContact O-N 3.34Å; Y364-T367 PolarHBondContact O-OG1 2.69Å; Y364-T367 VanDerWaalsContact O-OG1 3.07Å; Y364-T368 WeakPolarHBondContact O-CB 3.1Å; Y364-T368 PolarHBondContact O-N 3.08Å; Y364-T368 VanDerWaalsContact O-N 3.08Å; Y364-T368 PolarHBondContact O-OG1 3.07Å
365F96.3Very high95.2Very high2 Ų232.8 Ų32.81%0.00919%0.188CC..Hα-helixtrans-55.7-54.6174167-98.5000110.8E336 I339 T340 L343 L355 L361 A362 T367 T368 V369E336-F365 HydrophobicContact CG-CB 4.3Å; E336-F365 HydrophobicContact CG-CD2 3.45Å; E336-F365 VanDerWaalsContact CG-CD2 3.45Å; E336-F365 HydrophobicContact CG-CE2 4.12Å; E336-F365 HydrophobicContact CG-CG 4.17Å; I339-F365 HydrophobicContact CB-CE2 4.49Å; I339-F365 HydrophobicContact CG2-CE2 4.08Å; I339-F365 HydrophobicContact CG2-CZ 3.68Å; T340-F365 WeakPolarHBondContact OG1-CE2 3.28Å; L343-F365 HydrophobicContact CD1-CZ 4.02Å; L355-F365 HydrophobicContact CD1-CE1 4.26Å; L355-F365 HydrophobicContact CD1-CZ 4.14Å; L361-F365 HydrophobicContact CB-CD1 3.73Å; L361-F365 HydrophobicContact CB-CE1 4.11Å; L361-F365 HydrophobicContact CB-CG 4.28Å; L361-F365 HydrophobicContact CD1-CD1 4.23Å; L361-F365 HydrophobicContact CD1-CE1 3.75Å; L361-F365 HydrophobicContact CD1-CZ 4.04Å; L361-F365 HydrophobicContact CD2-CD1 3.93Å; L361-F365 HydrophobicContact CD2-CD2 3.91Å; L361-F365 HydrophobicContact CD2-CE1 4.05Å; L361-F365 HydrophobicContact CD2-CE2 3.98Å; L361-F365 HydrophobicContact CD2-CG 3.86Å; L361-F365 HydrophobicContact CD2-CZ 4.06Å; L361-F365 HydrophobicContact CG-CD1 4.17Å; L361-F365 HydrophobicContact CG-CE1 4.19Å; A362-F365 PolarHBondContact O-N 3.04Å; F365-T367 PolarHBondContact O-N 2.77Å; F365-T368 WeakPolarHBondContact O-CA 3.44Å; F365-T368 WeakPolarHBondContact O-CB 3.26Å; F365-T368 PolarHBondContact O-N 3.06Å; F365-V369 HydrophobicContact CD1-CG2 4.3Å; F365-V369 HydrophobicContact CD2-CG1 4.04Å; F365-V369 HydrophobicContact CE1-CG2 3.84Å; F365-V369 HydrophobicContact CE2-CG1 3.66Å; F365-V369 HydrophobicContact CE2-CG2 4.35Å; F365-V369 HydrophobicContact CZ-CG1 3.99Å; F365-V369 HydrophobicContact CZ-CG2 3.88Å; F365-V369 WeakPolarHBondContact O-CG2 3.44Å; F365-V369 PolarHBondContact O-N 2.93Å
366W97.5Very high95.2Very high0 Ų032.7 Ų32.70%019%0.187CC..Hα-helixtrans-60.9-46.5-176.4-76.6103.6000112.5L353 L355 L361 A362 E363 T368 V369 I370 L381 I400 W418L353-W366 HydrophobicContact CD2-CZ3 4.46Å; L355-W366 HydrophobicContact CB-CH2 3.88Å; L355-W366 HydrophobicContact CB-CZ2 3.86Å; L355-W366 HydrophobicContact CD1-CH2 3.91Å; L355-W366 HydrophobicContact CD1-CZ2 4.31Å; L355-W366 HydrophobicContact CG-CH2 4.38Å; L361-W366 PolarHBondContact O-NE1 2.74Å; L361-W366 VanDerWaalsContact O-NE1 3.12Å; A362-W366 VanDerWaalsContact O-CD1 3.3Å; A362-W366 PolarHBondContact O-N 3.19Å; E363-W366 PolarHBondContact O-N 3Å; W366-T368 PolarHBondContact O-N 3.14Å; W366-V369 HydrophobicContact CE3-CG2 4.23Å; W366-V369 PolarHBondContact O-N 2.73Å; W366-I370 HydrophobicContact CB-CD1 4.13Å; W366-I370 HydrophobicContact CE3-CD1 4.45Å; W366-I370 HydrophobicContact CE3-CG1 4.25Å; W366-I370 WeakPolarHBondContact O-CB 3.19Å; W366-I370 VanDerWaalsContact O-CD1 3.3Å; W366-I370 WeakPolarHBondContact O-CD1 3.31Å; W366-I370 WeakPolarHBondContact O-CG1 3.49Å; W366-I370 PolarHBondContact O-N 2.96Å; W366-L381 HydrophobicContact CD2-CB 4.08Å; W366-L381 HydrophobicContact CD2-CD1 3.65Å; W366-L381 VanDerWaalsContact CE2-CB 3.43Å; W366-L381 HydrophobicContact CE3-CB 4.36Å; W366-L381 HydrophobicContact CE3-CD1 4.01Å; W366-L381 HydrophobicContact CG-CD1 3.96Å; W366-L381 HydrophobicContact CH2-CB 3.46Å; W366-L381 VanDerWaalsContact CH2-CB 3.46Å; W366-L381 HydrophobicContact CZ2-CB 3.11Å; W366-L381 HydrophobicContact CZ2-CD1 4.3Å; W366-L381 HydrophobicContact CZ2-CG 4.3Å; W366-L381 HydrophobicContact CZ3-CB 4.07Å; W366-L381 HydrophobicContact CZ3-CD1 4.45Å; W366-I400 HydrophobicContact CB-CD1 4.44Å; W366-I400 HydrophobicContact CB-CG1 4.42Å; W366-W418 AromaticContact CD1-CH2 3.58Å; W366-W418 AromaticContact CD1-CZ2 3.93Å; W366-W418 HydrophobicContact CG-CH2 4.4Å; W366-W418 AromaticContact NE1-CH2 3.9Å
367T97.2Very high95.3Very high40 Ų4034.6 Ų34.625%0.24520%0.196CC..Hα-helixtrans-62.8-26.3176.854.80000113.2E363 Y364 F365 P371 K399E363-T367 HydrophobicContact CG-CG2 4.38Å; E363-T367 WeakPolarHBondContact O-CG2 3.46Å; E363-T367 PolarHBondContact O-N 3.47Å; E363-T367 PolarHBondContact O-OG1 3.15Å; Y364-T367 PolarHBondContact O-OG1 2.69Å; Y364-T367 VanDerWaalsContact O-OG1 3.07Å; F365-T367 PolarHBondContact O-N 2.77Å; T367-P371 WeakPolarHBondContact O-CD 3.46Å; T367-K399 HydrophobicContact CG2-CB 4.03Å
368T98.1Very high95.6Very high45 Ų4533.9 Ų33.928%0.27619%0.186SC..Hα-helixtrans-77.3-39.5175.2-59.80000112.7Y364 F365 W366Y364-T368 WeakPolarHBondContact O-CB 3.1Å; Y364-T368 PolarHBondContact O-N 3.08Å; Y364-T368 VanDerWaalsContact O-N 3.08Å; Y364-T368 PolarHBondContact O-OG1 3.07Å; F365-T368 WeakPolarHBondContact O-CA 3.44Å; F365-T368 WeakPolarHBondContact O-CB 3.26Å; F365-T368 PolarHBondContact O-N 3.06Å; W366-T368 PolarHBondContact O-N 3.14Å
369V98.5Very high95.9Very high0 Ų033.3 Ų33.30%018%0.184CC..Hα-helixtrans-92.8-28.9-172.7-580000114.4T340 L343 F365 W366 P371 Y372T340-V369 HydrophobicContact CG2-CG1 4.31Å; L343-V369 HydrophobicContact CB-CB 4.35Å; L343-V369 HydrophobicContact CB-CG1 4.48Å; L343-V369 HydrophobicContact CD1-CB 3.77Å; L343-V369 HydrophobicContact CD1-CG1 4.06Å; L343-V369 HydrophobicContact CD1-CG2 3.78Å; F365-V369 HydrophobicContact CD1-CG2 4.3Å; F365-V369 HydrophobicContact CD2-CG1 4.04Å; F365-V369 HydrophobicContact CE1-CG2 3.84Å; F365-V369 HydrophobicContact CE2-CG1 3.66Å; F365-V369 HydrophobicContact CE2-CG2 4.35Å; F365-V369 HydrophobicContact CZ-CG1 3.99Å; F365-V369 HydrophobicContact CZ-CG2 3.88Å; F365-V369 WeakPolarHBondContact O-CG2 3.44Å; F365-V369 PolarHBondContact O-N 2.93Å; W366-V369 HydrophobicContact CE3-CG2 4.23Å; W366-V369 PolarHBondContact O-N 2.73Å; V369-P371 VanDerWaalsContact C-N 3.3Å; V369-Y372 WeakPolarHBondContact O-CB 3.41Å; V369-Y372 PolarHBondContact O-N 3.31Å
370I98.7Very high96.6Very high0 Ų031.8 Ų31.80%017%0.171CC..G310 helixtrans-52.5-38.4178.9-74.5163.9000113.5W366 Y372 L373 I400 S403 F404 F407W366-I370 HydrophobicContact CB-CD1 4.13Å; W366-I370 HydrophobicContact CE3-CD1 4.45Å; W366-I370 HydrophobicContact CE3-CG1 4.25Å; W366-I370 WeakPolarHBondContact O-CB 3.19Å; W366-I370 VanDerWaalsContact O-CD1 3.3Å; W366-I370 WeakPolarHBondContact O-CD1 3.31Å; W366-I370 WeakPolarHBondContact O-CG1 3.49Å; W366-I370 PolarHBondContact O-N 2.96Å; I370-Y372 PolarHBondContact O-N 3.32Å; I370-L373 WeakPolarHBondContact O-CB 3.38Å; I370-L373 PolarHBondContact O-N 2.9Å; I370-I400 HydrophobicContact CD1-CG2 4.2Å; I370-S403 WeakPolarHBondContact CB-OG 3.39Å; I370-S403 VanDerWaalsContact CG2-OG 3.22Å; I370-S403 WeakPolarHBondContact CG2-OG 3.45Å; I370-F404 HydrophobicContact CD1-CD1 4.46Å; I370-F404 HydrophobicContact CD1-CD2 3.67Å; I370-F404 HydrophobicContact CD1-CE1 4.27Å; I370-F404 HydrophobicContact CD1-CE2 3.44Å; I370-F404 VanDerWaalsContact CD1-CE2 3.44Å; I370-F404 HydrophobicContact CD1-CG 4.17Å; I370-F404 HydrophobicContact CD1-CZ 3.76Å; I370-F404 HydrophobicContact CG1-CD1 4.44Å; I370-F404 HydrophobicContact CG1-CD2 4.46Å; I370-F404 HydrophobicContact CG1-CE1 4.05Å; I370-F404 HydrophobicContact CG1-CE2 4.07Å; I370-F404 HydrophobicContact CG1-CZ 3.85Å; I370-F404 HydrophobicContact CG2-CD1 4.26Å; I370-F404 HydrophobicContact CG2-CG 4.47Å; I370-F407 HydrophobicContact CG2-CB 4.13Å; I370-F407 HydrophobicContact CG2-CD2 4.35Å
371P98.7Very high97Very high52 Ų5227.6 Ų27.634%0.33815%0.146SC..G310 helixtrans-55.7-23.5174.6-28.135.9000115.2T367 V369 F407T367-P371 WeakPolarHBondContact O-CD 3.46Å; V369-P371 VanDerWaalsContact C-N 3.3Å; P371-F407 HydrophobicContact CB-CD1 4.01Å; P371-F407 HydrophobicContact CB-CD2 4.3Å; P371-F407 HydrophobicContact CB-CE1 4.02Å; P371-F407 HydrophobicContact CB-CE2 4.34Å; P371-F407 HydrophobicContact CB-CG 4.16Å; P371-F407 HydrophobicContact CB-CZ 4.19Å; P371-F407 HydrophobicContact CG-CD1 4.49Å; P371-F407 HydrophobicContact CG-CD2 3.94Å; P371-F407 HydrophobicContact CG-CE1 4.35Å; P371-F407 HydrophobicContact CG-CE2 3.81Å; P371-F407 HydrophobicContact CG-CG 4.31Å; P371-F407 HydrophobicContact CG-CZ 4.02Å
372Y98.6Very high97.1Very high98 Ų9827.7 Ų27.738%0.38415%0.146SC..G310 helixtrans-85.5-9175.7-58.5-82.1000113L343 K344 G347 H348 V369 I370 G374L343-Y372 WeakPolarHBondContact O-CB 3.38Å; K344-Y372 HydrophobicContact CB-CE1 4.48Å; K344-Y372 HydrophobicContact CG-CD2 4.16Å; K344-Y372 HydrophobicContact CG-CE1 4.12Å; K344-Y372 HydrophobicContact CG-CE2 3.72Å; G347-Y372 CarbonylContact C-O 3.25Å; G347-Y372 VanDerWaalsContact O-O 3.11Å; H348-Y372 WeakPolarHBondContact CA-O 3.35Å; H348-Y372 PolarHBondContact N-O 3.22Å; V369-Y372 WeakPolarHBondContact O-CB 3.41Å; V369-Y372 PolarHBondContact O-N 3.31Å; I370-Y372 PolarHBondContact O-N 3.32Å; Y372-G374 PolarHBondContact O-N 3.3Å
373L98.6Very high97Very high0 Ų026.7 Ų26.70%014%0.138CC..  trans-95.937.4-172.5-58-176.4000113.3L343 L353 I370 A375 I376 C408L343-L373 HydrophobicContact CD2-CD2 4.23Å; L353-L373 HydrophobicContact CD2-CD1 3.86Å; L353-L373 HydrophobicContact CD2-CD2 4.08Å; I370-L373 WeakPolarHBondContact O-CB 3.38Å; I370-L373 PolarHBondContact O-N 2.9Å; L373-A375 PolarHBondContact O-N 2.79Å; L373-A375 VanDerWaalsContact O-N 3.13Å; L373-I376 HydrophobicContact CB-CB 4.05Å; L373-I376 HydrophobicContact CB-CG2 4.11Å; L373-I376 WeakPolarHBondContact O-CB 3.35Å; L373-I376 WeakPolarHBondContact O-CG2 3.49Å; L373-I376 PolarHBondContact O-N 2.94Å; L373-C408 PolarHBondContact O-SG 2.94Å; L373-C408 VanDerWaalsContact O-SG 3.34Å
374G98Very high96.5Very high31 Ų3129.3 Ų29.332%0.3216%0.159SC..THydrogen-bonded Turntrans-61.6-24.7-172.900000115.7Y372 F407 N410Y372-G374 PolarHBondContact O-N 3.3Å; G374-F407 WeakPolarHBondContact CA-O 3.28Å; G374-N410 PolarHBondContact O-ND2 3.16Å
375A98.4Very high95.4Very high20 Ų2022.8 Ų22.817%0.16514%0.135CC..THydrogen-bonded Turntrans-92.5-4.5177.900000113.9H348 L350 H351 L373 K377H348-A375 VanDerWaalsContact O-CB 3.31Å; H348-A375 WeakPolarHBondContact O-CB 3.22Å; L350-A375 CarbonylContact O-C 3.2Å; L350-A375 WeakPolarHBondContact O-CB 3.15Å; H351-A375 PolarHBondContact CD2-O 3.12Å; L373-A375 PolarHBondContact O-N 2.79Å; L373-A375 VanDerWaalsContact O-N 3.13Å; A375-K377 PolarHBondContact O-N 3.4Å
376I98.8Very high93.3Very high0 Ų024.8 Ų24.80%016%0.156CC..  trans-61.6138.7-169.9-158.272.2000112.1L350 L353 L373 V378 C379 C408 N410 L411L350-I376 HydrophobicContact CB-CD1 4.35Å; L350-I376 WeakPolarHBondContact O-CA 3.32Å; L350-I376 PolarHBondContact O-N 2.96Å; L353-I376 HydrophobicContact CB-CD1 3.75Å; L373-I376 HydrophobicContact CB-CB 4.05Å; L373-I376 HydrophobicContact CB-CG2 4.11Å; L373-I376 WeakPolarHBondContact O-CB 3.35Å; L373-I376 WeakPolarHBondContact O-CG2 3.49Å; L373-I376 PolarHBondContact O-N 2.94Å; I376-V378 WeakPolarHBondContact CD1-O 3.47Å; I376-C379 HydrophobicContact CG1-CB 4.08Å; I376-C408 HydrophobicContact CG2-CB 3.63Å; I376-C408 VanDerWaalsContact CG2-SG 3.52Å; I376-N410 CarbonylContact O-C 3.46Å; I376-N410 VanDerWaalsContact O-C 3.24Å; I376-L411 HydrophobicContact CG2-CD1 4.22Å; I376-L411 PolarHBondContact O-N 3.09Å
377K98.7Very high90.8Very high60 Ų6034.1 Ų34.126%0.26119%0.191SC..SBendtrans-117.1-40.4175.6-60.3-177.2179.4-174.40111.4H351 A375 E412 A413H351-K377 HydrophobicContact CB-CD 4.3Å; H351-K377 HydrophobicContact CB-CG 4.34Å; H351-K377 WeakPolarHBondContact O-CA 3.37Å; H351-K377 WeakPolarHBondContact O-CB 3.44Å; H351-K377 PolarHBondContact O-N 2.93Å; A375-K377 PolarHBondContact O-N 3.4Å; K377-E412 HydrophobicContact CB-CG 4.15Å; K377-E412 CarbonylContact O-C 3.24Å; K377-E412 WeakPolarHBondContact O-CA 3.05Å; K377-E412 PolarHBondContact O-N 3.08Å; K377-A413 PolarHBondContact O-N 3.03Å
378V98.7Very high88.6Confident9 Ų939.1 Ų39.16%0.05521%0.21CC..EExtended strand (participates in β ladder)trans-124.3123.3-178.7-177.20000108.5H351 G352 L353 I376 A413 T478 I480H351-V378 PolarHBondContact O-N 2.92Å; G352-V378 CarbonylContact C-O 3.54Å; G352-V378 WeakPolarHBondContact CA-O 3.44Å; L353-V378 PolarHBondContact N-O 3Å; I376-V378 WeakPolarHBondContact CD1-O 3.47Å; V378-A413 WeakPolarHBondContact CA-O 3.33Å; V378-A413 HydrophobicContact CG1-CB 4.41Å; V378-A413 HydrophobicContact CG2-CB 4.42Å; V378-T478 HydrophobicContact CG1-CG2 3.48Å; V378-T478 VanDerWaalsContact CG1-CG2 3.48Å; V378-I480 HydrophobicContact CB-CG2 4.31Å; V378-I480 HydrophobicContact CG1-CG2 4.08Å
379C98.7Very high86.5Confident0 Ų044 Ų440%023%0.227CC..EExtended strand (participates in β ladder)trans-137.2131.2176.5-165.80000111.8L353 I376 F404 L411 A413 L414 E415L353-C379 VanDerWaalsContact O-CA 3.28Å; L353-C379 WeakPolarHBondContact O-CA 3.17Å; I376-C379 HydrophobicContact CG1-CB 4.08Å; C379-F404 HydrophobicContact CB-CE1 4.23Å; C379-F404 HydrophobicContact CB-CZ 4.29Å; C379-L411 HydrophobicContact CB-CD1 4.43Å; C379-A413 PolarHBondContact N-O 3.07Å; C379-L414 HydrophobicContact CB-CD1 3.95Å; C379-L414 CarbonylContact O-C 3.59Å; C379-L414 WeakPolarHBondContact O-CA 3.49Å; C379-E415 PolarHBondContact O-N 2.96Å
380V98.5Very high84.4Confident0 Ų053.2 Ų53.20%027%0.268CS..EExtended strand (participates in β ladder)trans-126.1125.8177.4-169.70000108.9L353 M354 L355 H356 E415 T478L353-V380 PolarHBondContact O-N 3.06Å; M354-V380 HydrophobicContact CB-CB 4.29Å; M354-V380 HydrophobicContact CE-CG2 4.31Å; M354-V380 HydrophobicContact CG-CB 3.86Å; M354-V380 HydrophobicContact CG-CG2 3.69Å; M354-V380 HydrophobicContact SD-CG2 4.24Å; L355-V380 PolarHBondContact N-O 2.82Å; H356-V380 HydrophobicContact CB-CG1 3.92Å; H356-V380 VanDerWaalsContact ND1-CG1 3.3Å; H356-V380 WeakPolarHBondContact ND1-CG1 3.38Å; V380-E415 WeakPolarHBondContact CA-O 3.49Å; V380-E415 HydrophobicContact CB-CB 4.4Å; V380-E415 HydrophobicContact CG1-CB 3.95Å; V380-E415 HydrophobicContact CG1-CG 3.96Å; V380-E415 HydrophobicContact CG2-CB 4.18Å; V380-T478 HydrophobicContact CG2-CG2 3.71Å
381L97.3Very high82.3Confident0 Ų059.8 Ų59.80%029%0.293CS..EExtended strand (participates in β ladder)trans-145.7167.9-171.763.3153.9000112.6W366 I400 F404 L414 E415 I416 Q417 W418W366-L381 HydrophobicContact CD2-CB 4.08Å; W366-L381 HydrophobicContact CD2-CD1 3.65Å; W366-L381 VanDerWaalsContact CE2-CB 3.43Å; W366-L381 HydrophobicContact CE3-CB 4.36Å; W366-L381 HydrophobicContact CE3-CD1 4.01Å; W366-L381 HydrophobicContact CG-CD1 3.96Å; W366-L381 HydrophobicContact CH2-CB 3.46Å; W366-L381 VanDerWaalsContact CH2-CB 3.46Å; W366-L381 HydrophobicContact CZ2-CB 3.11Å; W366-L381 HydrophobicContact CZ2-CD1 4.3Å; W366-L381 HydrophobicContact CZ2-CG 4.3Å; W366-L381 HydrophobicContact CZ3-CB 4.07Å; W366-L381 HydrophobicContact CZ3-CD1 4.45Å; L381-I400 HydrophobicContact CD1-CG2 3.93Å; L381-F404 HydrophobicContact CD1-CE2 4.21Å; L381-F404 HydrophobicContact CD2-CE2 4.17Å; L381-F404 HydrophobicContact CD2-CZ 4.2Å; L381-L414 HydrophobicContact CD2-CD1 3.44Å; L381-L414 VanDerWaalsContact CD2-CD1 3.44Å; L381-L414 HydrophobicContact CD2-CG 4.42Å; L381-E415 WeakPolarHBondContact CD2-O 3.05Å; L381-E415 PolarHBondContact N-O 2.95Å; L381-I416 HydrophobicContact CD1-CG1 4.42Å; L381-I416 HydrophobicContact CD2-CG1 3.95Å; L381-I416 HydrophobicContact CG-CG1 4.1Å; L381-I416 CarbonylContact O-C 3.42Å; L381-I416 WeakPolarHBondContact O-CA 3.26Å; L381-Q417 PolarHBondContact O-N 2.94Å; L381-W418 HydrophobicContact CD1-CH2 3.88Å; L381-W418 HydrophobicContact CD1-CZ3 3.91Å
382G93.8Very high80.4Confident2 Ų264.7 Ų64.72%0.02132%0.317CS..  trans89.4175.1179.500000112.7H356 G357 W418H356-G382 CarbonylContact C-O 3.45Å; H356-G382 WeakPolarHBondContact CA-O 3.21Å; H356-G382 VanDerWaalsContact CB-O 3.24Å; H356-G382 WeakPolarHBondContact CB-O 3.3Å; G357-G382 PolarHBondContact N-O 3.47Å; G382-W418 VanDerWaalsContact CA-CE2 3.45Å
383A89.1Confident78.8Confident5 Ų563.4 Ų63.44%0.04132%0.319CS..  trans-141.4127.4177.900000108.1H385 Q417A383-H385 PolarHBondContact O-N 2.93Å; A383-H385 PolarHBondContact O-ND1 2.95Å; A383-Q417 CarbonylContact C-O 3.41Å
384S81.7Confident78Confident78 Ų7869.9 Ų69.955%0.54534%0.344SS..  trans-74.4107.1169.356.20000107.6G386 Q417S384-G386 PolarHBondContact O-N 2.95Å; S384-Q417 WeakPolarHBondContact CA-O 3.3Å; S384-Q417 PolarHBondContact N-O 3.23Å
385H69.4Low77.6Confident36 Ų3668.6 Ų68.617%0.16733%0.329CS..  trans-81.7110.2172.4-65.483.7000107.5A359 A383 W387 Y391 D419A359-H385 WeakPolarHBondContact CB-NE2 3.11Å; A383-H385 PolarHBondContact O-N 2.93Å; A383-H385 PolarHBondContact O-ND1 2.95Å; H385-W387 PolarHBondContact O-N 3.46Å; H385-Y391 AromaticContact CD2-CD2 3.81Å; H385-Y391 AromaticContact NE2-CD2 3.69Å; H385-D419 PolarHBondContact N-OD2 3.36Å; H385-D419 VanDerWaalsContact N-OD2 3.07Å; H385-D419 IonicContact ND1-OD2 3.28Å
386G52.9Low77.3Confident44 Ų4471.1 Ų71.145%0.45434%0.338SS..  trans-50.1137.6158.100000108.2S384 F388 F389S384-G386 PolarHBondContact O-N 2.95Å; G386-F388 PolarHBondContact O-N 3.16Å; G386-F389 PolarHBondContact O-N 3.12Å
387W44.7Very low77.1Confident197 Ų19771.2 Ų71.275%0.74634%0.338SS*.THydrogen-bonded Turntrans-40.2-11.6-176.859.7-84.3000118.1H385H385-W387 PolarHBondContact O-N 3.46Å
388F50.8Low76.9Confident144 Ų14469.1 Ų69.163%0.63233%0.33SS*.THydrogen-bonded Turntrans-76.3-34.8178.8-66-80.1000115.1G386G386-F388 PolarHBondContact O-N 3.16Å
389F54.6Low76.7Confident147 Ų14774.2 Ų74.265%0.64535%0.351SS*.  trans-108.876.9-179.1-67-79.7000110.1G386 Y391G386-F389 PolarHBondContact O-N 3.12Å; F389-Y391 HydrophobicContact CB-CD2 4.16Å; F389-Y391 HydrophobicContact CB-CE2 4.14Å; F389-Y391 PolarHBondContact O-N 2.66Å
390K52.8Low76.6Confident195 Ų19574.2 Ų74.285%0.84835%0.351SS*.  trans-68.177.6167.2-74.1-173.7179.1178.70109.5N392K390-N392 PolarHBondContact O-N 2.73Å
391Y55.7Low76.6Confident137 Ų13774.3 Ų74.354%0.53735%0.352SS..  trans-61.6130.5158.9-78.1-81.9000107.5A359 H385 F389 T393A359-Y391 HydrophobicContact CB-CD2 4.42Å; A359-Y391 HydrophobicContact CB-CE2 4.13Å; H385-Y391 AromaticContact CD2-CD2 3.81Å; H385-Y391 AromaticContact NE2-CD2 3.69Å; F389-Y391 HydrophobicContact CB-CD2 4.16Å; F389-Y391 HydrophobicContact CB-CE2 4.14Å; F389-Y391 PolarHBondContact O-N 2.66Å; Y391-T393 VanDerWaalsContact CB-OG1 3.3Å; Y391-T393 WeakPolarHBondContact CB-OG1 3.35Å; Y391-T393 PolarHBondContact O-N 2.69Å
392N59.2Low76.6Confident155 Ų15577.3 Ų77.383%0.82937%0.366SS*.  trans-74.211.7179.4-140.69.1000112.1K390 R394K390-N392 PolarHBondContact O-N 2.73Å; N392-R394 PolarHBondContact O-N 2.86Å
393T65.2Low76.8Confident71 Ų7177.8 Ų77.844%0.43637%0.369SS..  trans-80.1115.2-179.236.60000109.7Y391Y391-T393 VanDerWaalsContact CB-OG1 3.3Å; Y391-T393 WeakPolarHBondContact CB-OG1 3.35Å; Y391-T393 PolarHBondContact O-N 2.69Å
394R80.4Confident77.3Confident137 Ų13777.6 Ų77.652%0.51737%0.367SS..  trans-103.1122.7174-83.1140.3163.3-118.935.1108.8N392 T422 R424N392-R394 PolarHBondContact O-N 2.86Å; R394-T422 WeakPolarHBondContact CA-O 3.46Å; R394-R424 HydrophobicContact CB-CG 3.83Å; R394-R424 VanDerWaalsContact CB-NE 3.35Å; R394-R424 VanDerWaalsContact CD-NE 3.26Å; R394-R424 VanDerWaalsContact CD-NH2 3.29Å; R394-R424 HydrophobicContact CG-CG 4.11Å; R394-R424 VanDerWaalsContact NH1-NE 3.17Å
395V89.4Confident78.1Confident3 Ų374.2 Ų74.22%0.01834%0.344CS..EExtended strand (participates in β ladder)trans-96.2120-175174.30000109.8A362 E363 I397 I400 W418 T422 R424A362-V395 HydrophobicContact CB-CG2 4.46Å; E363-V395 HydrophobicContact CB-CG1 4.1Å; V395-I397 PolarHBondContact O-N 3.5Å; V395-I397 VanDerWaalsContact O-N 3.11Å; V395-I400 HydrophobicContact CG1-CD1 3.71Å; V395-W418 HydrophobicContact CB-CD2 4.39Å; V395-W418 HydrophobicContact CG1-CD2 4.05Å; V395-W418 HydrophobicContact CG1-CE3 3.81Å; V395-W418 HydrophobicContact CG1-CH2 3.97Å; V395-W418 HydrophobicContact CG1-CZ2 4.13Å; V395-W418 HydrophobicContact CG1-CZ3 3.82Å; V395-W418 HydrophobicContact CG2-CD2 4.25Å; V395-W418 HydrophobicContact CG2-CZ2 4.28Å; V395-T422 HydrophobicContact CB-CG2 4.44Å; V395-T422 HydrophobicContact CG2-CG2 3.97Å; V395-T422 PolarHBondContact N-O 3.2Å; V395-R424 PolarHBondContact O-N 3.24Å
396H92.2Very high79.4Confident74 Ų7475.1 Ų75.134%0.34336%0.363SS..EExtended strand (participates in β ladder)trans-79.692.7172.8-63.3-96.5000110.6E363 D398 K399E363-H396 WeakPolarHBondContact OE2-CA 3.37Å; E363-H396 WeakPolarHBondContact OE2-CB 3.4Å; E363-H396 IonicContact OE2-CD2 3.52Å; E363-H396 PolarHBondContact OE2-CD2 2.92Å; E363-H396 VanDerWaalsContact OE2-CD2 3.3Å; E363-H396 IonicContact OE2-CG 3.44Å; E363-H396 PolarHBondContact OE2-N 3.21Å; H396-D398 PolarHBondContact O-N 3.37Å; H396-D398 VanDerWaalsContact O-N 3.15Å; H396-K399 HydrophobicContact CB-CG 4.42Å; H396-K399 PolarHBondContact O-N 3.13Å; H396-K399 VanDerWaalsContact O-N 3.15Å
397I94.6Very high81.6Confident1 Ų177.8 Ų77.81%0.00536%0.362CS..Hα-helixtrans-58.7-29.4-176.6-169.2157.4000113.4V395 K399 I400 L401 I416 I423 R424 F425 L448 Y453V395-I397 PolarHBondContact O-N 3.5Å; V395-I397 VanDerWaalsContact O-N 3.11Å; I397-K399 VanDerWaalsContact C-N 3.28Å; I397-K399 PolarHBondContact O-N 3.01Å; I397-I400 WeakPolarHBondContact O-CB 3.5Å; I397-I400 PolarHBondContact O-N 3.37Å; I397-I400 VanDerWaalsContact O-N 3.1Å; I397-L401 PolarHBondContact O-N 3.15Å; I397-I416 HydrophobicContact CD1-CD1 3.97Å; I397-I416 HydrophobicContact CD1-CG2 4.01Å; I397-I416 HydrophobicContact CG1-CD1 4.22Å; I397-I423 HydrophobicContact CD1-CG2 4.31Å; I397-R424 PolarHBondContact N-O 3.1Å; I397-F425 HydrophobicContact CG2-CB 3.98Å; I397-L448 HydrophobicContact CD1-CD2 4.5Å; I397-Y453 HydrophobicContact CD1-CD1 3.81Å; I397-Y453 HydrophobicContact CD1-CE1 3.33Å; I397-Y453 HydrophobicContact CG1-CE1 3.91Å; I397-Y453 HydrophobicContact CG2-CD1 4.45Å; I397-Y453 HydrophobicContact CG2-CD2 4.17Å; I397-Y453 HydrophobicContact CG2-CE1 3.97Å; I397-Y453 HydrophobicContact CG2-CE2 3.63Å
398D95.5Very high84.2Confident16 Ų1668.4 Ų68.49%0.08633%0.327CS..Hα-helixtrans-56.8-39.8177.8-70.2-22.9000112.4H396 I400 L401 E402 S429 F432H396-D398 PolarHBondContact O-N 3.37Å; H396-D398 VanDerWaalsContact O-N 3.15Å; D398-I400 VanDerWaalsContact C-N 3.3Å; D398-I400 PolarHBondContact O-N 3.3Å; D398-L401 PolarHBondContact O-N 3.35Å; D398-E402 WeakPolarHBondContact O-CB 3.29Å; D398-E402 PolarHBondContact O-N 3.01Å; D398-S429 WeakPolarHBondContact OD1-CA 3.28Å; D398-S429 WeakPolarHBondContact OD1-CB 3.47Å; D398-S429 PolarHBondContact OD1-OG 3.13Å; D398-S429 PolarHBondContact OD2-OG 3.38Å; D398-F432 HydrophobicContact CB-CD1 4.26Å; D398-F432 HydrophobicContact CB-CD2 3.82Å; D398-F432 HydrophobicContact CB-CE1 4.42Å; D398-F432 HydrophobicContact CB-CE2 3.97Å; D398-F432 HydrophobicContact CB-CG 3.95Å; D398-F432 HydrophobicContact CB-CZ 4.27Å; D398-F432 WeakPolarHBondContact O-CD1 3.26Å
399K95Very high86.4Confident117 Ų11764.6 Ų64.651%0.50932%0.317SS..Hα-helixtrans-69.6-31.5179.9-60.2-150.4-156.4125.90112.2E363 T367 H396 I397 S403E363-K399 HydrophobicContact CG-CB 4.4Å; E363-K399 WeakPolarHBondContact OE1-CD 3.46Å; E363-K399 WeakPolarHBondContact OE1-CE 3.5Å; E363-K399 WeakPolarHBondContact OE1-CG 3.43Å; E363-K399 IonicContact OE1-NZ 3.26Å; E363-K399 PolarHBondContact OE1-NZ 3.43Å; T367-K399 HydrophobicContact CG2-CB 4.03Å; H396-K399 HydrophobicContact CB-CG 4.42Å; H396-K399 PolarHBondContact O-N 3.13Å; H396-K399 VanDerWaalsContact O-N 3.15Å; I397-K399 VanDerWaalsContact C-N 3.28Å; I397-K399 PolarHBondContact O-N 3.01Å; K399-S403 WeakPolarHBondContact O-CB 3.42Å; K399-S403 PolarHBondContact O-N 3.34Å
400I96.9Very high88.5Confident0 Ų060 Ų600%030%0.299CS..Hα-helixtrans-71.1-47.8177.7-61.1177.4000109.5E363 W366 I370 L381 V395 I397 D398 E402 S403 F404 W418E363-I400 HydrophobicContact CG-CG1 4.27Å; W366-I400 HydrophobicContact CB-CD1 4.44Å; W366-I400 HydrophobicContact CB-CG1 4.42Å; I370-I400 HydrophobicContact CD1-CG2 4.2Å; L381-I400 HydrophobicContact CD1-CG2 3.93Å; V395-I400 HydrophobicContact CG1-CD1 3.71Å; I397-I400 WeakPolarHBondContact O-CB 3.5Å; I397-I400 PolarHBondContact O-N 3.37Å; I397-I400 VanDerWaalsContact O-N 3.1Å; D398-I400 VanDerWaalsContact C-N 3.3Å; D398-I400 PolarHBondContact O-N 3.3Å; I400-E402 VanDerWaalsContact C-N 3.32Å; I400-E402 PolarHBondContact O-N 3.07Å; I400-S403 PolarHBondContact O-N 3.17Å; I400-F404 HydrophobicContact CG2-CD2 3.82Å; I400-F404 HydrophobicContact CG2-CE2 3.7Å; I400-F404 WeakPolarHBondContact O-CD2 3.42Å; I400-F404 PolarHBondContact O-N 3.29Å; I400-W418 HydrophobicContact CD1-CE3 4.34Å; I400-W418 HydrophobicContact CD1-CH2 3.33Å; I400-W418 HydrophobicContact CD1-CZ2 4.49Å; I400-W418 HydrophobicContact CD1-CZ3 3.23Å
401L97.7Very high90.6Very high1 Ų150.7 Ų50.71%0.00526%0.258CS..Hα-helixtrans-59.7-42.7174.6-69.4-161.3000112.2I397 D398 S403 F404 A405 L414 I416 F432 I433 I436 Y453I397-L401 PolarHBondContact O-N 3.15Å; D398-L401 PolarHBondContact O-N 3.35Å; L401-S403 VanDerWaalsContact C-N 3.31Å; L401-S403 PolarHBondContact O-N 3.49Å; L401-F404 PolarHBondContact O-N 3.12Å; L401-A405 VanDerWaalsContact O-CB 3.3Å; L401-A405 WeakPolarHBondContact O-CB 3.23Å; L401-A405 PolarHBondContact O-N 3.28Å; L401-L414 HydrophobicContact CD2-CD2 4.24Å; L401-I416 HydrophobicContact CD2-CD1 3.98Å; L401-F432 HydrophobicContact CB-CB 4.42Å; L401-I433 HydrophobicContact CD1-CG1 4.04Å; L401-I436 HydrophobicContact CD1-CG2 4.37Å; L401-I436 HydrophobicContact CD2-CD1 3.87Å; L401-Y453 WeakPolarHBondContact CD1-OH 3.47Å
402E97.4Very high92.7Very high64 Ų6446.4 Ų46.430%0.29924%0.243SC..Hα-helixtrans-58.9-43.9175.6-171.765.1-16500111.5D398 I400 A405 G406 F432 R435D398-E402 WeakPolarHBondContact O-CB 3.29Å; D398-E402 PolarHBondContact O-N 3.01Å; I400-E402 VanDerWaalsContact C-N 3.32Å; I400-E402 PolarHBondContact O-N 3.07Å; E402-A405 PolarHBondContact O-N 3.31Å; E402-G406 PolarHBondContact O-N 3.06Å; E402-F432 HydrophobicContact CB-CD1 3.83Å; E402-F432 HydrophobicContact CB-CE1 4.08Å; E402-F432 HydrophobicContact CG-CD1 4.32Å; E402-F432 HydrophobicContact CG-CE1 4.27Å; E402-F432 WeakPolarHBondContact OE2-CD1 3.38Å; E402-F432 WeakPolarHBondContact OE2-CE1 3.47Å; E402-R435 IonicContact OE1-CZ 3.06Å; E402-R435 IonicContact OE1-NE 2.66Å; E402-R435 IonicContact OE1-NH1 3.63Å; E402-R435 PolarHBondContact OE1-NH1 3.23Å; E402-R435 WeakPolarHBondContact OE2-CD 3.14Å; E402-R435 IonicContact OE2-CZ 2.77Å; E402-R435 IonicContact OE2-NE 2.85Å; E402-R435 IonicContact OE2-NH1 2.78Å; E402-R435 PolarHBondContact OE2-NH1 3.23Å
403S98.3Very high94.5Very high12 Ų1239.6 Ų39.68%0.08421%0.208CC..Hα-helixtrans-64.3-47.9179.7-162.20000111.4I370 K399 I400 L401 A405 G406 F407I370-S403 WeakPolarHBondContact CB-OG 3.39Å; I370-S403 VanDerWaalsContact CG2-OG 3.22Å; I370-S403 WeakPolarHBondContact CG2-OG 3.45Å; K399-S403 WeakPolarHBondContact O-CB 3.42Å; K399-S403 PolarHBondContact O-N 3.34Å; I400-S403 PolarHBondContact O-N 3.17Å; L401-S403 VanDerWaalsContact C-N 3.31Å; L401-S403 PolarHBondContact O-N 3.49Å; S403-A405 VanDerWaalsContact C-N 3.33Å; S403-A405 PolarHBondContact O-N 3.35Å; S403-G406 PolarHBondContact O-N 2.93Å; S403-F407 VanDerWaalsContact O-CD2 3.26Å; S403-F407 WeakPolarHBondContact O-CD2 2.96Å; S403-F407 PolarHBondContact O-N 2.91Å
404F98.6Very high96.1Very high0 Ų036.2 Ų36.20%019%0.188CC..Hα-helixtrans-59.6-43.6175.2-82.9-68.7000112.1I370 C379 L381 I400 L401 G406 F407 C408 L411 L414 I436I370-F404 HydrophobicContact CD1-CD1 4.46Å; I370-F404 HydrophobicContact CD1-CD2 3.67Å; I370-F404 HydrophobicContact CD1-CE1 4.27Å; I370-F404 HydrophobicContact CD1-CE2 3.44Å; I370-F404 VanDerWaalsContact CD1-CE2 3.44Å; I370-F404 HydrophobicContact CD1-CG 4.17Å; I370-F404 HydrophobicContact CD1-CZ 3.76Å; I370-F404 HydrophobicContact CG1-CD1 4.44Å; I370-F404 HydrophobicContact CG1-CD2 4.46Å; I370-F404 HydrophobicContact CG1-CE1 4.05Å; I370-F404 HydrophobicContact CG1-CE2 4.07Å; I370-F404 HydrophobicContact CG1-CZ 3.85Å; I370-F404 HydrophobicContact CG2-CD1 4.26Å; I370-F404 HydrophobicContact CG2-CG 4.47Å; C379-F404 HydrophobicContact CB-CE1 4.23Å; C379-F404 HydrophobicContact CB-CZ 4.29Å; L381-F404 HydrophobicContact CD1-CE2 4.21Å; L381-F404 HydrophobicContact CD2-CE2 4.17Å; L381-F404 HydrophobicContact CD2-CZ 4.2Å; I400-F404 HydrophobicContact CG2-CD2 3.82Å; I400-F404 HydrophobicContact CG2-CE2 3.7Å; I400-F404 WeakPolarHBondContact O-CD2 3.42Å; I400-F404 PolarHBondContact O-N 3.29Å; L401-F404 PolarHBondContact O-N 3.12Å; F404-G406 PolarHBondContact O-N 2.86Å; F404-F407 PolarHBondContact O-N 3.14Å; F404-C408 HydrophobicContact CD1-CB 3.94Å; F404-C408 WeakPolarHBondContact O-CA 3.34Å; F404-C408 WeakPolarHBondContact O-CB 2.9Å; F404-C408 PolarHBondContact O-N 3.1Å; F404-L411 HydrophobicContact CB-CD2 4.3Å; F404-L411 HydrophobicContact CD1-CD2 4.12Å; F404-L411 HydrophobicContact CG-CD2 4.37Å; F404-L414 HydrophobicContact CD2-CD1 4.19Å; F404-L414 HydrophobicContact CD2-CD2 3.96Å; F404-L414 HydrophobicContact CE1-CD1 4.11Å; F404-L414 HydrophobicContact CE2-CD1 3.73Å; F404-L414 HydrophobicContact CE2-CD2 4.27Å; F404-L414 HydrophobicContact CG-CD2 4.31Å; F404-L414 HydrophobicContact CZ-CD1 3.69Å; F404-I436 HydrophobicContact CB-CD1 4.05Å
405A98.3Very high96.9Very high8 Ų829.9 Ų29.97%0.06616%0.164CC..Hα-helixtrans-61-33.6175.400000112.4L401 E402 S403 R435 I436 K439L401-A405 VanDerWaalsContact O-CB 3.3Å; L401-A405 WeakPolarHBondContact O-CB 3.23Å; L401-A405 PolarHBondContact O-N 3.28Å; E402-A405 PolarHBondContact O-N 3.31Å; S403-A405 VanDerWaalsContact C-N 3.33Å; S403-A405 PolarHBondContact O-N 3.35Å; A405-R435 HydrophobicContact CB-CB 4.21Å; A405-I436 HydrophobicContact CB-CB 4.15Å; A405-K439 HydrophobicContact CB-CB 4.08Å; A405-K439 HydrophobicContact CB-CG 4.39Å; A405-K439 WeakPolarHBondContact O-CB 3.48Å
406G98.2Very high97.3Very high55 Ų5529.9 Ų29.957%0.56716%0.163SC*.Hα-helixtrans-76.7-37.818000000114.2E402 S403 F404E402-G406 PolarHBondContact O-N 3.06Å; S403-G406 PolarHBondContact O-N 2.93Å; F404-G406 PolarHBondContact O-N 2.86Å
407F98.6Very high97.3Very high100 Ų10027.6 Ų27.644%0.43915%0.153SC..Hα-helixtrans-118.5-16-165.4-62.7-75.3000115.2I370 P371 G374 S403 F404 P409I370-F407 HydrophobicContact CG2-CB 4.13Å; I370-F407 HydrophobicContact CG2-CD2 4.35Å; P371-F407 HydrophobicContact CB-CD1 4.01Å; P371-F407 HydrophobicContact CB-CD2 4.3Å; P371-F407 HydrophobicContact CB-CE1 4.02Å; P371-F407 HydrophobicContact CB-CE2 4.34Å; P371-F407 HydrophobicContact CB-CG 4.16Å; P371-F407 HydrophobicContact CB-CZ 4.19Å; P371-F407 HydrophobicContact CG-CD1 4.49Å; P371-F407 HydrophobicContact CG-CD2 3.94Å; P371-F407 HydrophobicContact CG-CE1 4.35Å; P371-F407 HydrophobicContact CG-CE2 3.81Å; P371-F407 HydrophobicContact CG-CG 4.31Å; P371-F407 HydrophobicContact CG-CZ 4.02Å; G374-F407 WeakPolarHBondContact CA-O 3.28Å; S403-F407 VanDerWaalsContact O-CD2 3.26Å; S403-F407 WeakPolarHBondContact O-CD2 2.96Å; S403-F407 PolarHBondContact O-N 2.91Å; F404-F407 PolarHBondContact O-N 3.14Å; F407-P409 VanDerWaalsContact C-CD 3.43Å; F407-P409 WeakPolarHBondContact O-CD 3.48Å
408C98.5Very high97.2Very high0 Ų027.8 Ų27.80%015%0.154CC..  trans-121.266-170.1-59.30000112.8L373 I376 F404 N410 L411 C440L373-C408 PolarHBondContact O-SG 2.94Å; L373-C408 VanDerWaalsContact O-SG 3.34Å; I376-C408 HydrophobicContact CG2-CB 3.63Å; I376-C408 VanDerWaalsContact CG2-SG 3.52Å; F404-C408 HydrophobicContact CD1-CB 3.94Å; F404-C408 WeakPolarHBondContact O-CA 3.34Å; F404-C408 WeakPolarHBondContact O-CB 2.9Å; F404-C408 PolarHBondContact O-N 3.1Å; C408-N410 PolarHBondContact O-N 3.28Å; C408-L411 HydrophobicContact CB-CB 4.37Å; C408-L411 VanDerWaalsContact O-CB 3.32Å; C408-L411 WeakPolarHBondContact O-CB 3.46Å; C408-L411 PolarHBondContact O-N 3.18Å; C408-C440 PolarHBondContact O-SG 3.31Å
409P97.6Very high96.9Very high64 Ų6428.2 Ų28.242%0.41616%0.156SC..THydrogen-bonded Turntrans-67.7-18.5-176.528.9-36.5000113.9F407F407-P409 VanDerWaalsContact C-CD 3.43Å; F407-P409 WeakPolarHBondContact O-CD 3.48Å
410N97.8Very high96.6Very high50 Ų5025.5 Ų25.527%0.26715%0.15SC..THydrogen-bonded Turntrans-89.10.4-179.2-67.5-57.3000114.1G374 I376 C408 E412 R442G374-N410 PolarHBondContact O-ND2 3.16Å; I376-N410 CarbonylContact O-C 3.46Å; I376-N410 VanDerWaalsContact O-C 3.24Å; C408-N410 PolarHBondContact O-N 3.28Å; N410-E412 WeakPolarHBondContact O-CG 3.47Å; N410-E412 PolarHBondContact O-N 3.23Å; N410-R442 PolarHBondContact OD1-NH1 3.29Å; N410-R442 VanDerWaalsContact OD1-NH1 3.07Å
411L98.5Very high96.1Very high0 Ų032.6 Ų32.60%019%0.188CC..  trans-58.6124.9-176.2-172.868000111.3I376 C379 F404 C408 L414 I436 C440 R442 L443I376-L411 HydrophobicContact CG2-CD1 4.22Å; I376-L411 PolarHBondContact O-N 3.09Å; C379-L411 HydrophobicContact CB-CD1 4.43Å; F404-L411 HydrophobicContact CB-CD2 4.3Å; F404-L411 HydrophobicContact CD1-CD2 4.12Å; F404-L411 HydrophobicContact CG-CD2 4.37Å; C408-L411 HydrophobicContact CB-CB 4.37Å; C408-L411 VanDerWaalsContact O-CB 3.32Å; C408-L411 WeakPolarHBondContact O-CB 3.46Å; C408-L411 PolarHBondContact O-N 3.18Å; L411-L414 HydrophobicContact CD1-CB 4.34Å; L411-L414 HydrophobicContact CD2-CB 4.05Å; L411-L414 HydrophobicContact CD2-CD2 4.14Å; L411-L414 HydrophobicContact CG-CB 4.42Å; L411-I436 HydrophobicContact CD2-CD1 4.23Å; L411-C440 HydrophobicContact CB-CB 4.21Å; L411-R442 CarbonylContact O-C 3.25Å; L411-R442 VanDerWaalsContact O-C 3.25Å; L411-L443 HydrophobicContact CD2-CD1 4.15Å; L411-L443 HydrophobicContact CG-CD1 4.03Å; L411-L443 WeakPolarHBondContact O-CA 3.23Å; L411-L443 PolarHBondContact O-N 3.03Å; L411-L443 VanDerWaalsContact O-N 3.12Å
412E98.2Very high95.7Very high47 Ų4733.2 Ų33.222%0.2219%0.192CC..  trans-110.5-36.6179.9-57.1-165.4-154.100112K377 N410 R442 K444 S445K377-E412 HydrophobicContact CB-CG 4.15Å; K377-E412 CarbonylContact O-C 3.24Å; K377-E412 WeakPolarHBondContact O-CA 3.05Å; K377-E412 PolarHBondContact O-N 3.08Å; N410-E412 WeakPolarHBondContact O-CG 3.47Å; N410-E412 PolarHBondContact O-N 3.23Å; E412-R442 WeakPolarHBondContact CA-O 3.26Å; E412-R442 HydrophobicContact CG-CB 4.18Å; E412-K444 PolarHBondContact O-N 3.38Å; E412-K444 IonicContact OE2-NZ 2.71Å; E412-K444 PolarHBondContact OE2-NZ 2.97Å; E412-S445 PolarHBondContact O-N 3.39Å; E412-S445 VanDerWaalsContact O-N 3.13Å
413A98Very high95.4Very high12 Ų1231.1 Ų31.110%0.09918%0.183CC..EExtended strand (participates in β ladder)trans-139.9130.2176.800000110.7K377 V378 C379 S445 T478K377-A413 PolarHBondContact O-N 3.03Å; V378-A413 WeakPolarHBondContact CA-O 3.33Å; V378-A413 HydrophobicContact CG1-CB 4.41Å; V378-A413 HydrophobicContact CG2-CB 4.42Å; C379-A413 PolarHBondContact N-O 3.07Å; A413-S445 WeakPolarHBondContact CA-O 3.46Å; A413-T478 HydrophobicContact CB-CG2 3.85Å
414L98.4Very high95.1Very high0 Ų035.4 Ų35.40%020%0.197CC..EExtended strand (participates in β ladder)trans-129.5129175.6-177.463.8000109.5C379 L381 L401 F404 L411 I416 I436 L443 S445 L446 T447C379-L414 HydrophobicContact CB-CD1 3.95Å; C379-L414 CarbonylContact O-C 3.59Å; C379-L414 WeakPolarHBondContact O-CA 3.49Å; L381-L414 HydrophobicContact CD2-CD1 3.44Å; L381-L414 VanDerWaalsContact CD2-CD1 3.44Å; L381-L414 HydrophobicContact CD2-CG 4.42Å; L401-L414 HydrophobicContact CD2-CD2 4.24Å; F404-L414 HydrophobicContact CD2-CD1 4.19Å; F404-L414 HydrophobicContact CD2-CD2 3.96Å; F404-L414 HydrophobicContact CE1-CD1 4.11Å; F404-L414 HydrophobicContact CE2-CD1 3.73Å; F404-L414 HydrophobicContact CE2-CD2 4.27Å; F404-L414 HydrophobicContact CG-CD2 4.31Å; F404-L414 HydrophobicContact CZ-CD1 3.69Å; L411-L414 HydrophobicContact CD1-CB 4.34Å; L411-L414 HydrophobicContact CD2-CB 4.05Å; L411-L414 HydrophobicContact CD2-CD2 4.14Å; L411-L414 HydrophobicContact CG-CB 4.42Å; L414-I416 HydrophobicContact CD2-CD1 4.18Å; L414-I416 HydrophobicContact CD2-CG1 4.49Å; L414-I416 HydrophobicContact CG-CD1 4.47Å; L414-I416 HydrophobicContact CG-CG1 4.25Å; L414-I436 HydrophobicContact CD2-CD1 3.79Å; L414-L443 HydrophobicContact CB-CD1 4.37Å; L414-S445 PolarHBondContact N-O 3.25Å; L414-L446 HydrophobicContact CB-CD1 4.03Å; L414-L446 HydrophobicContact CD2-CD1 3.93Å; L414-L446 HydrophobicContact CG-CD1 4.08Å; L414-L446 CarbonylContact O-C 3.59Å; L414-L446 VanDerWaalsContact O-CA 3.32Å; L414-L446 WeakPolarHBondContact O-CA 3.36Å; L414-T447 PolarHBondContact O-N 2.73Å
415E98Very high94.9Very high4 Ų438.7 Ų38.72%0.01921%0.212CC..EExtended strand (participates in β ladder)trans-126.3127.5175177170.2144.500111.4C379 V380 L381 Q417 T447 T473 T478C379-E415 PolarHBondContact O-N 2.96Å; V380-E415 WeakPolarHBondContact CA-O 3.49Å; V380-E415 HydrophobicContact CB-CB 4.4Å; V380-E415 HydrophobicContact CG1-CB 3.95Å; V380-E415 HydrophobicContact CG1-CG 3.96Å; V380-E415 HydrophobicContact CG2-CB 4.18Å; L381-E415 WeakPolarHBondContact CD2-O 3.05Å; L381-E415 PolarHBondContact N-O 2.95Å; E415-Q417 HydrophobicContact CG-CG 3.98Å; E415-Q417 WeakPolarHBondContact OE1-CG 3.17Å; E415-Q417 PolarHBondContact OE1-NE2 3.41Å; E415-T447 WeakPolarHBondContact CA-O 3.39Å; E415-T447 HydrophobicContact CG-CG2 3.92Å; E415-T473 HydrophobicContact CG-CG2 4.46Å; E415-T478 WeakPolarHBondContact CB-OG1 3.44Å; E415-T478 WeakPolarHBondContact OE2-CB 3.41Å; E415-T478 PolarHBondContact OE2-N 3.43Å; E415-T478 PolarHBondContact OE2-OG1 2.83Å
416I96.5Very high94.6Very high2 Ų240.8 Ų40.81%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-121.7107.1-178.4-54.9173.3000108.5L381 I397 L401 L414 W418 T447 L448L381-I416 HydrophobicContact CD1-CG1 4.42Å; L381-I416 HydrophobicContact CD2-CG1 3.95Å; L381-I416 HydrophobicContact CG-CG1 4.1Å; L381-I416 CarbonylContact O-C 3.42Å; L381-I416 WeakPolarHBondContact O-CA 3.26Å; I397-I416 HydrophobicContact CD1-CD1 3.97Å; I397-I416 HydrophobicContact CD1-CG2 4.01Å; I397-I416 HydrophobicContact CG1-CD1 4.22Å; L401-I416 HydrophobicContact CD2-CD1 3.98Å; L414-I416 HydrophobicContact CD2-CD1 4.18Å; L414-I416 HydrophobicContact CD2-CG1 4.49Å; L414-I416 HydrophobicContact CG-CD1 4.47Å; L414-I416 HydrophobicContact CG-CG1 4.25Å; I416-W418 HydrophobicContact CG2-CD2 4.28Å; I416-W418 HydrophobicContact CG2-CE3 3.26Å; I416-W418 HydrophobicContact CG2-CZ3 3.61Å; I416-T447 PolarHBondContact N-O 3.37Å; I416-L448 HydrophobicContact CB-CD2 3.86Å; I416-L448 HydrophobicContact CD1-CD2 4.07Å; I416-L448 HydrophobicContact CG1-CD2 4.25Å
417Q93.6Very high94.1Very high26 Ų2644.2 Ų44.212%0.12123%0.231CC..  trans-94.25.1-170.5-64.1-172.6-6.600115H356 L381 A383 S384 E415 D419 T473H356-Q417 HydrophobicContact CB-CG 4.5Å; H356-Q417 PolarHBondContact CD2-NE2 2.98Å; H356-Q417 PolarHBondContact CD2-OE1 3.09Å; L381-Q417 PolarHBondContact O-N 2.94Å; A383-Q417 CarbonylContact C-O 3.41Å; S384-Q417 WeakPolarHBondContact CA-O 3.3Å; S384-Q417 PolarHBondContact N-O 3.23Å; E415-Q417 HydrophobicContact CG-CG 3.98Å; E415-Q417 WeakPolarHBondContact OE1-CG 3.17Å; E415-Q417 PolarHBondContact OE1-NE2 3.41Å; Q417-D419 PolarHBondContact O-N 3.09Å; Q417-T473 HydrophobicContact CG-CG2 4.29Å
418W92Very high93.9Very high6 Ų646.8 Ų46.82%0.02324%0.242CC..  trans-59.4135.5171.7-70.2-60.3000110.3L361 W366 L381 G382 V395 I400 I416 T422 I423 S449L361-W418 WeakPolarHBondContact O-CZ2 3.37Å; W366-W418 AromaticContact CD1-CH2 3.58Å; W366-W418 AromaticContact CD1-CZ2 3.93Å; W366-W418 HydrophobicContact CG-CH2 4.4Å; W366-W418 AromaticContact NE1-CH2 3.9Å; L381-W418 HydrophobicContact CD1-CH2 3.88Å; L381-W418 HydrophobicContact CD1-CZ3 3.91Å; G382-W418 VanDerWaalsContact CA-CE2 3.45Å; V395-W418 HydrophobicContact CB-CD2 4.39Å; V395-W418 HydrophobicContact CG1-CD2 4.05Å; V395-W418 HydrophobicContact CG1-CE3 3.81Å; V395-W418 HydrophobicContact CG1-CH2 3.97Å; V395-W418 HydrophobicContact CG1-CZ2 4.13Å; V395-W418 HydrophobicContact CG1-CZ3 3.82Å; V395-W418 HydrophobicContact CG2-CD2 4.25Å; V395-W418 HydrophobicContact CG2-CZ2 4.28Å; I400-W418 HydrophobicContact CD1-CE3 4.34Å; I400-W418 HydrophobicContact CD1-CH2 3.33Å; I400-W418 HydrophobicContact CD1-CZ2 4.49Å; I400-W418 HydrophobicContact CD1-CZ3 3.23Å; I416-W418 HydrophobicContact CG2-CD2 4.28Å; I416-W418 HydrophobicContact CG2-CE3 3.26Å; I416-W418 HydrophobicContact CG2-CZ3 3.61Å; W418-T422 HydrophobicContact CB-CG2 4.06Å; W418-T422 HydrophobicContact CG-CG2 3.93Å; W418-I423 HydrophobicContact CB-CG2 3.52Å; W418-I423 HydrophobicContact CG-CG2 4.47Å; W418-S449 WeakPolarHBondContact O-CB 3.14Å; W418-S449 PolarHBondContact O-OG 3.28Å
419D89.3Confident93.8Very high24 Ų2446.8 Ų46.813%0.12824%0.242CC..  trans-67.1162175.95575.5000112H385 Q417 D421 T422 I423H385-D419 PolarHBondContact N-OD2 3.36Å; H385-D419 VanDerWaalsContact N-OD2 3.07Å; H385-D419 IonicContact ND1-OD2 3.28Å; Q417-D419 PolarHBondContact O-N 3.09Å; D419-D421 PolarHBondContact O-N 3.26Å; D419-D421 VanDerWaalsContact O-N 3.17Å; D419-D421 PolarHBondContact OD1-N 3.24Å; D419-T422 PolarHBondContact O-N 3.2Å; D419-T422 VanDerWaalsContact O-N 3.11Å; D419-T422 VanDerWaalsContact OD1-CB 3.31Å; D419-T422 WeakPolarHBondContact OD1-CB 3.34Å; D419-T422 PolarHBondContact OD1-N 2.97Å; D419-T422 PolarHBondContact OD1-OG1 3.42Å; D419-T422 PolarHBondContact OD2-OG1 2.98Å; D419-I423 PolarHBondContact O-N 2.97Å
420P89Confident93.7Very high61 Ų6148.8 Ų48.840%0.39624%0.241SC..THydrogen-bonded Turntrans-57.8-27.3179.9-29.539000115D450P420-D450 WeakPolarHBondContact CG-O 3.41Å
421D86.8Confident93.6Very high148 Ų14853.3 Ų53.379%0.79126%0.258SS*.THydrogen-bonded Turntrans-79.7-26-179.1-70-27.5000111.9D419D419-D421 PolarHBondContact O-N 3.26Å; D419-D421 VanDerWaalsContact O-N 3.17Å; D419-D421 PolarHBondContact OD1-N 3.24Å
422T88.4Confident93.5Very high14 Ų1455.6 Ų55.69%0.08627%0.268CS..THydrogen-bonded Turntrans-81.9-35.9178.1-62.40000112.4R394 V395 W418 D419R394-T422 WeakPolarHBondContact CA-O 3.46Å; V395-T422 HydrophobicContact CB-CG2 4.44Å; V395-T422 HydrophobicContact CG2-CG2 3.97Å; V395-T422 PolarHBondContact N-O 3.2Å; W418-T422 HydrophobicContact CB-CG2 4.06Å; W418-T422 HydrophobicContact CG-CG2 3.93Å; D419-T422 PolarHBondContact O-N 3.2Å; D419-T422 VanDerWaalsContact O-N 3.11Å; D419-T422 VanDerWaalsContact OD1-CB 3.31Å; D419-T422 WeakPolarHBondContact OD1-CB 3.34Å; D419-T422 PolarHBondContact OD1-N 2.97Å; D419-T422 PolarHBondContact OD1-OG1 3.42Å; D419-T422 PolarHBondContact OD2-OG1 2.98Å
423I90.8Very high93.4Very high21 Ų2153.3 Ų53.311%0.10826%0.258CS..EExtended strand (participates in β ladder)trans-79.2135-176.863.8176.7000112.9I397 W418 D419 F425 Y453I397-I423 HydrophobicContact CD1-CG2 4.31Å; W418-I423 HydrophobicContact CB-CG2 3.52Å; W418-I423 HydrophobicContact CG-CG2 4.47Å; D419-I423 PolarHBondContact O-N 2.97Å; I423-F425 HydrophobicContact CD1-CD1 4.45Å; I423-F425 HydrophobicContact CG1-CD1 4.41Å; I423-Y453 HydrophobicContact CD1-CD1 4.16Å; I423-Y453 HydrophobicContact CD1-CG 4.01Å
424R91.7Very high93.3Very high102 Ų10255.2 Ų55.239%0.38527%0.266SS..EExtended strand (participates in β ladder)trans-111.9130.5168.2-80-172.6177.7-172.7-6.2110.5R394 V395 I397R394-R424 HydrophobicContact CB-CG 3.83Å; R394-R424 VanDerWaalsContact CB-NE 3.35Å; R394-R424 VanDerWaalsContact CD-NE 3.26Å; R394-R424 VanDerWaalsContact CD-NH2 3.29Å; R394-R424 HydrophobicContact CG-CG 4.11Å; R394-R424 VanDerWaalsContact NH1-NE 3.17Å; V395-R424 PolarHBondContact O-N 3.24Å; I397-R424 PolarHBondContact N-O 3.1Å
425F94.1Very high93.3Very high69 Ų6960.8 Ų60.830%0.30329%0.287SS..  trans-145.8171.7177.666.2-87.1000109.6I397 I423 S429 K452 Y453 M456I397-F425 HydrophobicContact CG2-CB 3.98Å; I423-F425 HydrophobicContact CD1-CD1 4.45Å; I423-F425 HydrophobicContact CG1-CD1 4.41Å; F425-S429 WeakPolarHBondContact CB-OG 3.44Å; F425-K452 HydrophobicContact CE1-CB 4.48Å; F425-K452 HydrophobicContact CE2-CB 4.49Å; F425-K452 HydrophobicContact CZ-CB 3.66Å; F425-Y453 HydrophobicContact CB-CD2 3.57Å; F425-Y453 HydrophobicContact CB-CE2 3.78Å; F425-Y453 AromaticContact CD1-CD2 3.77Å; F425-Y453 HydrophobicContact CD1-CD2 3.77Å; F425-Y453 HydrophobicContact CD1-CG 4.12Å; F425-Y453 AromaticContact CD2-CD2 3.72Å; F425-Y453 HydrophobicContact CD2-CD2 3.72Å; F425-Y453 HydrophobicContact CD2-CE2 4.5Å; F425-Y453 HydrophobicContact CE1-CD2 4.39Å; F425-Y453 HydrophobicContact CE1-CG 4.49Å; F425-Y453 HydrophobicContact CE2-CD2 4.34Å; F425-Y453 AromaticContact CG-CD2 3.4Å; F425-Y453 HydrophobicContact CG-CD2 3.4Å; F425-Y453 VanDerWaalsContact CG-CD2 3.4Å; F425-Y453 HydrophobicContact CG-CE2 4.13Å; F425-Y453 HydrophobicContact CG-CG 4.21Å; F425-M456 HydrophobicContact CD2-CE 3.94Å; F425-M456 HydrophobicContact CE2-CE 3.83Å
426S92.6Very high93.2Very high52 Ų5260.6 Ų60.636%0.36429%0.286SS..  trans-139.1176.2-178.569.90000111.2K428 S429S426-K428 PolarHBondContact O-N 3.1Å; S426-K428 VanDerWaalsContact O-N 3.11Å; S426-K428 PolarHBondContact OG-N 3.09Å; S426-S429 PolarHBondContact N-OG 3.43Å; S426-S429 WeakPolarHBondContact O-CB 3.29Å; S426-S429 PolarHBondContact O-N 3.35Å; S426-S429 PolarHBondContact O-OG 3.04Å
427D88.6Confident93.2Very high127 Ų12763.2 Ų63.268%0.67930%0.296SS*.THydrogen-bonded Turntrans-62.1-20.3173.2-64.5-44.1000113.3S429D427-S429 PolarHBondContact O-N 3.49Å
428K93.1Very high93.3Very high153 Ų15367.4 Ų67.467%0.66532%0.318SS*.THydrogen-bonded Turntrans-75.4-12.4175.2-63.6-179.7-1791750112.7S426 R430 K431S426-K428 PolarHBondContact O-N 3.1Å; S426-K428 VanDerWaalsContact O-N 3.11Å; S426-K428 PolarHBondContact OG-N 3.09Å; K428-R430 PolarHBondContact O-N 3.48Å; K428-R430 VanDerWaalsContact O-N 3.1Å; K428-K431 PolarHBondContact O-N 3.48Å
429S96.2Very high93.5Very high0 Ų073.2 Ų73.20%034%0.344CS..Hα-helixtrans-55-29.1179.5-64.30000113.3D398 F425 S426 D427 K431 F432 I433D398-S429 WeakPolarHBondContact OD1-CA 3.28Å; D398-S429 WeakPolarHBondContact OD1-CB 3.47Å; D398-S429 PolarHBondContact OD1-OG 3.13Å; D398-S429 PolarHBondContact OD2-OG 3.38Å; F425-S429 WeakPolarHBondContact CB-OG 3.44Å; S426-S429 PolarHBondContact N-OG 3.43Å; S426-S429 WeakPolarHBondContact O-CB 3.29Å; S426-S429 PolarHBondContact O-N 3.35Å; S426-S429 PolarHBondContact O-OG 3.04Å; D427-S429 PolarHBondContact O-N 3.49Å; S429-K431 PolarHBondContact O-N 3.11Å; S429-K431 VanDerWaalsContact O-N 3.13Å; S429-F432 WeakPolarHBondContact O-CB 3.43Å; S429-F432 PolarHBondContact O-N 3.37Å; S429-I433 WeakPolarHBondContact O-CG1 3.39Å; S429-I433 PolarHBondContact O-N 2.96Å
430R95.8Very high93.9Very high107 Ų10772.1 Ų72.140%0.40434%0.338SS..Hα-helixtrans-52-37.9175-56.5-166-179.3103.40.7113.2K428 F432 I433 D434 M456K428-R430 PolarHBondContact O-N 3.48Å; K428-R430 VanDerWaalsContact O-N 3.1Å; R430-F432 VanDerWaalsContact C-N 3.34Å; R430-F432 PolarHBondContact O-N 2.95Å; R430-I433 PolarHBondContact O-N 2.99Å; R430-D434 VanDerWaalsContact O-CG 3.29Å; R430-D434 PolarHBondContact O-N 2.79Å; R430-M456 HydrophobicContact CG-CG 4.2Å; R430-M456 HydrophobicContact CG-SD 3.96Å
431K95.8Very high94.2Very high144 Ų14474.1 Ų74.163%0.62635%0.351SS*.Hα-helixtrans-65.7-36.8178.6-64.9-174.8178.8-174.70112.6K428 S429 R435K428-K431 PolarHBondContact O-N 3.48Å; S429-K431 PolarHBondContact O-N 3.11Å; S429-K431 VanDerWaalsContact O-N 3.13Å; K431-R435 VanDerWaalsContact O-CG 3.28Å; K431-R435 WeakPolarHBondContact O-CG 3.33Å; K431-R435 PolarHBondContact O-N 3.48Å
432F97Very high94.6Very high48 Ų4873.4 Ų73.421%0.21134%0.337CS..Hα-helixtrans-73.6-38.4178.8-61.3-84.7000111D398 L401 E402 S429 R430 R435 I436D398-F432 HydrophobicContact CB-CD1 4.26Å; D398-F432 HydrophobicContact CB-CD2 3.82Å; D398-F432 HydrophobicContact CB-CE1 4.42Å; D398-F432 HydrophobicContact CB-CE2 3.97Å; D398-F432 HydrophobicContact CB-CG 3.95Å; D398-F432 HydrophobicContact CB-CZ 4.27Å; D398-F432 WeakPolarHBondContact O-CD1 3.26Å; L401-F432 HydrophobicContact CB-CB 4.42Å; E402-F432 HydrophobicContact CB-CD1 3.83Å; E402-F432 HydrophobicContact CB-CE1 4.08Å; E402-F432 HydrophobicContact CG-CD1 4.32Å; E402-F432 HydrophobicContact CG-CE1 4.27Å; E402-F432 WeakPolarHBondContact OE2-CD1 3.38Å; E402-F432 WeakPolarHBondContact OE2-CE1 3.47Å; S429-F432 WeakPolarHBondContact O-CB 3.43Å; S429-F432 PolarHBondContact O-N 3.37Å; R430-F432 VanDerWaalsContact C-N 3.34Å; R430-F432 PolarHBondContact O-N 2.95Å; F432-R435 WeakPolarHBondContact O-CB 3.42Å; F432-R435 PolarHBondContact O-N 2.85Å; F432-I436 PolarHBondContact O-N 3.27Å
433I96.6Very high95Very high0 Ų073.5 Ų73.50%034%0.337CS..Hα-helixtrans-62.2-44.3173.4-61.7163000110.8L401 S429 R430 R435 I436 R437 Y453 M456 V457 N460 F461L401-I433 HydrophobicContact CD1-CG1 4.04Å; S429-I433 WeakPolarHBondContact O-CG1 3.39Å; S429-I433 PolarHBondContact O-N 2.96Å; R430-I433 PolarHBondContact O-N 2.99Å; I433-R435 VanDerWaalsContact C-N 3.33Å; I433-R435 PolarHBondContact O-N 2.69Å; I433-I436 VanDerWaalsContact O-CG2 3.26Å; I433-I436 WeakPolarHBondContact O-CG2 3.07Å; I433-R437 PolarHBondContact O-N 2.53Å; I433-R437 VanDerWaalsContact O-N 3.16Å; I433-Y453 HydrophobicContact CD1-CE2 4.42Å; I433-M456 HydrophobicContact CD1-CG 4.1Å; I433-M456 HydrophobicContact CD1-SD 4.23Å; I433-V457 HydrophobicContact CD1-CB 4.33Å; I433-V457 HydrophobicContact CD1-CG2 3.53Å; I433-V457 HydrophobicContact CG1-CG2 3.89Å; I433-V457 HydrophobicContact CG2-CG1 4.23Å; I433-N460 WeakPolarHBondContact CD1-ND2 3.24Å; I433-N460 HydrophobicContact CG2-CB 3.81Å; I433-F461 HydrophobicContact CG2-CD2 4.05Å; I433-F461 HydrophobicContact CG2-CE2 3.81Å
434D95.8Very high95.3Very high51 Ų5178.8 Ų78.827%0.27336%0.359SS..Hα-helixtrans-63.1-40.3174.2-71.4-32.5000111.7R430 R437 I438R430-D434 VanDerWaalsContact O-CG 3.29Å; R430-D434 PolarHBondContact O-N 2.79Å; D434-R437 PolarHBondContact O-N 2.77Å; D434-R437 IonicContact OD1-CZ 3.24Å; D434-R437 IonicContact OD1-NH1 3.74Å; D434-R437 PolarHBondContact OD1-NH1 3.06Å; D434-R437 IonicContact OD1-NH2 2.62Å; D434-R437 PolarHBondContact OD1-NH2 3.16Å; D434-I438 WeakPolarHBondContact O-CB 3.41Å; D434-I438 WeakPolarHBondContact O-CD1 3.38Å; D434-I438 VanDerWaalsContact O-CG1 3.22Å; D434-I438 WeakPolarHBondContact O-CG1 3.37Å; D434-I438 PolarHBondContact O-N 2.79Å
435R97Very high95.5Very high117 Ų11774.1 Ų74.144%0.44234%0.342SS..Hα-helixtrans-62.3-48.4178.6-81.2174.8175.8-175.7-9.7112.4E402 A405 K431 F432 I433 R437 I438 K439E402-R435 IonicContact OE1-CZ 3.06Å; E402-R435 IonicContact OE1-NE 2.66Å; E402-R435 IonicContact OE1-NH1 3.63Å; E402-R435 PolarHBondContact OE1-NH1 3.23Å; E402-R435 WeakPolarHBondContact OE2-CD 3.14Å; E402-R435 IonicContact OE2-CZ 2.77Å; E402-R435 IonicContact OE2-NE 2.85Å; E402-R435 IonicContact OE2-NH1 2.78Å; E402-R435 PolarHBondContact OE2-NH1 3.23Å; A405-R435 HydrophobicContact CB-CB 4.21Å; K431-R435 VanDerWaalsContact O-CG 3.28Å; K431-R435 WeakPolarHBondContact O-CG 3.33Å; K431-R435 PolarHBondContact O-N 3.48Å; F432-R435 WeakPolarHBondContact O-CB 3.42Å; F432-R435 PolarHBondContact O-N 2.85Å; I433-R435 VanDerWaalsContact C-N 3.33Å; I433-R435 PolarHBondContact O-N 2.69Å; R435-R437 VanDerWaalsContact C-N 3.33Å; R435-R437 PolarHBondContact O-N 3.35Å; R435-I438 PolarHBondContact O-N 3.31Å; R435-K439 VanDerWaalsContact O-CB 3.26Å; R435-K439 WeakPolarHBondContact O-CB 3.34Å; R435-K439 VanDerWaalsContact O-CG 3.3Å; R435-K439 WeakPolarHBondContact O-CG 3.47Å; R435-K439 PolarHBondContact O-N 3.26Å
436I97.3Very high95.6Very high0 Ų070.9 Ų70.90%033%0.328CS..Hα-helixtrans-63.4-40.6178-165.8171.5000111.1L401 F404 A405 L411 L414 F432 I433 I438 K439 C440 L443L401-I436 HydrophobicContact CD1-CG2 4.37Å; L401-I436 HydrophobicContact CD2-CD1 3.87Å; F404-I436 HydrophobicContact CB-CD1 4.05Å; A405-I436 HydrophobicContact CB-CB 4.15Å; L411-I436 HydrophobicContact CD2-CD1 4.23Å; L414-I436 HydrophobicContact CD2-CD1 3.79Å; F432-I436 PolarHBondContact O-N 3.27Å; I433-I436 VanDerWaalsContact O-CG2 3.26Å; I433-I436 WeakPolarHBondContact O-CG2 3.07Å; I436-I438 VanDerWaalsContact C-N 3.33Å; I436-I438 PolarHBondContact O-N 2.81Å; I436-K439 PolarHBondContact O-N 3.03Å; I436-C440 HydrophobicContact CG1-CB 4.35Å; I436-C440 VanDerWaalsContact O-CB 3.25Å; I436-C440 WeakPolarHBondContact O-CB 3.14Å; I436-C440 PolarHBondContact O-N 2.79Å; I436-L443 HydrophobicContact CG1-CD2 4.44Å
437R95.1Very high95.9Very high57 Ų5768.4 Ų68.422%0.21531%0.311CS..Hα-helixtrans-58.5-43.2174.8-174.4-177.768.5-123.1-9.4112.4I433 D434 R435 N460 F461I433-R437 PolarHBondContact O-N 2.53Å; I433-R437 VanDerWaalsContact O-N 3.16Å; D434-R437 PolarHBondContact O-N 2.77Å; D434-R437 IonicContact OD1-CZ 3.24Å; D434-R437 IonicContact OD1-NH1 3.74Å; D434-R437 PolarHBondContact OD1-NH1 3.06Å; D434-R437 IonicContact OD1-NH2 2.62Å; D434-R437 PolarHBondContact OD1-NH2 3.16Å; R435-R437 VanDerWaalsContact C-N 3.33Å; R435-R437 PolarHBondContact O-N 3.35Å; R437-N460 PolarHBondContact NH1-O 3.38Å; R437-F461 HydrophobicContact CB-CE1 4.04Å; R437-F461 HydrophobicContact CB-CE2 4.38Å; R437-F461 HydrophobicContact CB-CZ 3.75Å; R437-F461 HydrophobicContact CG-CD1 4.33Å; R437-F461 HydrophobicContact CG-CE1 3.72Å; R437-F461 HydrophobicContact CG-CZ 3.98Å
438I95.8Very high96.2Very high115 Ų11562.5 Ų62.559%0.5928%0.279SS*.Hα-helixtrans-76.3-40.6-177.4-68.8166.1000111.7D434 R435 I436D434-I438 WeakPolarHBondContact O-CB 3.41Å; D434-I438 WeakPolarHBondContact O-CD1 3.38Å; D434-I438 VanDerWaalsContact O-CG1 3.22Å; D434-I438 WeakPolarHBondContact O-CG1 3.37Å; D434-I438 PolarHBondContact O-N 2.79Å; R435-I438 PolarHBondContact O-N 3.31Å; I436-I438 VanDerWaalsContact C-N 3.33Å; I436-I438 PolarHBondContact O-N 2.81Å
439K97.7Very high96.3Very high128 Ų12856 Ų5656%0.55725%0.253SS*.Hα-helixtrans-88.1-20.5-172.4-65-68.4-173.4175.50114A405 R435 I436 P441A405-K439 HydrophobicContact CB-CB 4.08Å; A405-K439 HydrophobicContact CB-CG 4.39Å; A405-K439 WeakPolarHBondContact O-CB 3.48Å; R435-K439 VanDerWaalsContact O-CB 3.26Å; R435-K439 WeakPolarHBondContact O-CB 3.34Å; R435-K439 VanDerWaalsContact O-CG 3.3Å; R435-K439 WeakPolarHBondContact O-CG 3.47Å; R435-K439 PolarHBondContact O-N 3.26Å; I436-K439 PolarHBondContact O-N 3.03Å; K439-P441 WeakPolarHBondContact O-CD 3.34Å
440C97.4Very high96.1Very high1 Ų160.5 Ų60.51%0.00728%0.277CS..  trans-110.771172.5-55.50000109.3C408 L411 I436 R442 L443C408-C440 PolarHBondContact O-SG 3.31Å; L411-C440 HydrophobicContact CB-CB 4.21Å; I436-C440 HydrophobicContact CG1-CB 4.35Å; I436-C440 VanDerWaalsContact O-CB 3.25Å; I436-C440 WeakPolarHBondContact O-CB 3.14Å; I436-C440 PolarHBondContact O-N 2.79Å; C440-R442 PolarHBondContact O-N 2.83Å; C440-L443 HydrophobicContact CB-CB 4.21Å; C440-L443 VanDerWaalsContact O-CB 3.23Å; C440-L443 WeakPolarHBondContact O-CB 3.42Å; C440-L443 PolarHBondContact O-N 2.92Å
441P94.4Very high96Very high103 Ų10356.5 Ų56.567%0.66927%0.269SS*.THydrogen-bonded Turntrans-65.7-10.9-172.828.8-37.8000113.9K439K439-P441 WeakPolarHBondContact O-CD 3.34Å
442R96.2Very high95.9Very high132 Ų13258 Ų5850%0.49828%0.276SS..THydrogen-bonded Turntrans-94.10177.2-62.3-174176.8167.63.2113.4N410 L411 E412 C440 K444N410-R442 PolarHBondContact OD1-NH1 3.29Å; N410-R442 VanDerWaalsContact OD1-NH1 3.07Å; L411-R442 CarbonylContact O-C 3.25Å; L411-R442 VanDerWaalsContact O-C 3.25Å; E412-R442 WeakPolarHBondContact CA-O 3.26Å; E412-R442 HydrophobicContact CG-CB 4.18Å; C440-R442 PolarHBondContact O-N 2.83Å; R442-K444 WeakPolarHBondContact O-CG 3.08Å; R442-K444 PolarHBondContact O-N 3.42Å; R442-K444 VanDerWaalsContact O-N 3.16Å
443L97.2Very high95.8Very high17 Ų1756 Ų569%0.08927%0.267CS..  trans-64.8113.5-177.2-172.168.8000110.5L411 L414 I436 C440 S445 L446 F461 V469L411-L443 HydrophobicContact CD2-CD1 4.15Å; L411-L443 HydrophobicContact CG-CD1 4.03Å; L411-L443 WeakPolarHBondContact O-CA 3.23Å; L411-L443 PolarHBondContact O-N 3.03Å; L411-L443 VanDerWaalsContact O-N 3.12Å; L414-L443 HydrophobicContact CB-CD1 4.37Å; I436-L443 HydrophobicContact CG1-CD2 4.44Å; C440-L443 HydrophobicContact CB-CB 4.21Å; C440-L443 VanDerWaalsContact O-CB 3.23Å; C440-L443 WeakPolarHBondContact O-CB 3.42Å; C440-L443 PolarHBondContact O-N 2.92Å; L443-S445 VanDerWaalsContact CD1-O 3.3Å; L443-S445 WeakPolarHBondContact CD1-O 3.38Å; L443-L446 HydrophobicContact CD2-CB 4.41Å; L443-F461 HydrophobicContact CD2-CZ 4.12Å; L443-V469 HydrophobicContact CD2-CG1 4.32Å; L443-V469 HydrophobicContact CG-CG1 4.13Å
444K95.2Very high95.8Very high131 Ų13156.9 Ų56.957%0.5727%0.27SS*.  trans-106.5-22.2179.3-66.1162.9-168.9164.20112.4E412 R442E412-K444 PolarHBondContact O-N 3.38Å; E412-K444 IonicContact OE2-NZ 2.71Å; E412-K444 PolarHBondContact OE2-NZ 2.97Å; R442-K444 WeakPolarHBondContact O-CG 3.08Å; R442-K444 PolarHBondContact O-N 3.42Å; R442-K444 VanDerWaalsContact O-N 3.16Å
445S96.5Very high95.8Very high4 Ų459.2 Ų59.23%0.02828%0.28CS..EExtended strand (participates in β ladder)trans-140.8128.6178.6-161.40000111.6E412 A413 L414 L443 T447 V469 R471E412-S445 PolarHBondContact O-N 3.39Å; E412-S445 VanDerWaalsContact O-N 3.13Å; A413-S445 WeakPolarHBondContact CA-O 3.46Å; L414-S445 PolarHBondContact N-O 3.25Å; L443-S445 VanDerWaalsContact CD1-O 3.3Å; L443-S445 WeakPolarHBondContact CD1-O 3.38Å; S445-T447 PolarHBondContact OG-OG1 3.28Å; S445-V469 CarbonylContact C-O 3.55Å; S445-V469 VanDerWaalsContact CA-O 3.28Å; S445-V469 WeakPolarHBondContact CA-O 3.29Å; S445-R471 WeakPolarHBondContact OG-CD 3.37Å
446L97.6Very high95.8Very high1 Ų155.1 Ų55.11%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-126.399.4166.5178.355000108.1L414 L443 L448 V457 F461 V469 V470 R471L414-L446 HydrophobicContact CB-CD1 4.03Å; L414-L446 HydrophobicContact CD2-CD1 3.93Å; L414-L446 HydrophobicContact CG-CD1 4.08Å; L414-L446 CarbonylContact O-C 3.59Å; L414-L446 VanDerWaalsContact O-CA 3.32Å; L414-L446 WeakPolarHBondContact O-CA 3.36Å; L443-L446 HydrophobicContact CD2-CB 4.41Å; L446-L448 HydrophobicContact CD1-CD2 4.15Å; L446-L448 HydrophobicContact CD1-CG 4.47Å; L446-L448 HydrophobicContact CG-CD1 4.36Å; L446-L448 HydrophobicContact CG-CD2 4.48Å; L446-L448 HydrophobicContact CG-CG 4.3Å; L446-V457 HydrophobicContact CD2-CG1 3.58Å; L446-V457 HydrophobicContact CG-CG1 4.41Å; L446-F461 HydrophobicContact CD2-CE2 4.18Å; L446-V469 HydrophobicContact CB-CG1 4.3Å; L446-V469 PolarHBondContact N-O 3.37Å; L446-V470 WeakPolarHBondContact O-CA 3.35Å; L446-R471 PolarHBondContact O-N 3.07Å
447T97.3Very high95.7Very high0 Ų055.1 Ų55.10%027%0.266CS..EExtended strand (participates in β ladder)trans-97.4128.4-175.5-49.50000109.8L414 E415 I416 S445 R471 T473 Y476L414-T447 PolarHBondContact O-N 2.73Å; E415-T447 WeakPolarHBondContact CA-O 3.39Å; E415-T447 HydrophobicContact CG-CG2 3.92Å; I416-T447 PolarHBondContact N-O 3.37Å; S445-T447 PolarHBondContact OG-OG1 3.28Å; T447-R471 WeakPolarHBondContact CA-O 3.49Å; T447-R471 HydrophobicContact CG2-CB 4.37Å; T447-T473 HydrophobicContact CG2-CG2 3.97Å; T447-Y476 HydrophobicContact CG2-CD1 4.41Å; T447-Y476 WeakPolarHBondContact OG1-CD1 3.14Å
448L96.4Very high95.8Very high4 Ų455.4 Ų55.42%0.02127%0.269CS..EExtended strand (participates in β ladder)trans-136.4155-175.9-57.8170.3000110.1I397 I416 L446 Y453 Y454 V457 R471 T472 T473I397-L448 HydrophobicContact CD1-CD2 4.5Å; I416-L448 HydrophobicContact CB-CD2 3.86Å; I416-L448 HydrophobicContact CD1-CD2 4.07Å; I416-L448 HydrophobicContact CG1-CD2 4.25Å; L446-L448 HydrophobicContact CD1-CD2 4.15Å; L446-L448 HydrophobicContact CD1-CG 4.47Å; L446-L448 HydrophobicContact CG-CD1 4.36Å; L446-L448 HydrophobicContact CG-CD2 4.48Å; L446-L448 HydrophobicContact CG-CG 4.3Å; L448-Y453 HydrophobicContact CD1-CD1 4.03Å; L448-Y453 HydrophobicContact CD1-CE1 4.06Å; L448-Y453 HydrophobicContact CD2-CE1 4.44Å; L448-Y454 HydrophobicContact CB-CD2 4.29Å; L448-V457 HydrophobicContact CD1-CB 3.86Å; L448-V457 HydrophobicContact CD1-CG1 3.95Å; L448-V457 HydrophobicContact CD1-CG2 3.68Å; L448-R471 PolarHBondContact N-O 3.24Å; L448-T472 CarbonylContact O-C 3.59Å; L448-T472 VanDerWaalsContact O-CA 3.29Å; L448-T472 WeakPolarHBondContact O-CA 3.29Å; L448-T473 PolarHBondContact O-N 2.95Å
449S93.5Very high95.8Very high16 Ų1650.9 Ų50.911%0.11225%0.25CS..  trans-61.3141.9166.9-60.80000110.9W418 Y454W418-S449 WeakPolarHBondContact O-CB 3.14Å; W418-S449 PolarHBondContact O-OG 3.28Å; S449-Y454 WeakPolarHBondContact O-CB 3.27Å
450D92.3Very high95.6Very high95 Ų9545.4 Ų45.451%0.50823%0.227SC..SBendtrans-60.9139.3178.6-173.919.8000111.4P420P420-D450 WeakPolarHBondContact CG-O 3.41Å
451G93.2Very high95.5Very high23 Ų2345.5 Ų45.524%0.23723%0.228CC..SBendtrans150.1-173.7-17900000114.4Y453 Y454 E455G451-Y453 PolarHBondContact O-N 2.89Å; G451-Y453 VanDerWaalsContact O-N 3.15Å; G451-Y454 WeakPolarHBondContact O-CB 3.24Å; G451-Y454 PolarHBondContact O-N 3.31Å; G451-Y454 VanDerWaalsContact O-N 3.1Å; G451-E455 PolarHBondContact O-N 3.47Å; G451-E455 VanDerWaalsContact O-N 3.08Å
452K95Very high95.5Very high176 Ų17645.1 Ų45.177%0.76522%0.217SC*.Hα-helixtrans-57.2-34.2-174-71-178-178.61770114F425 M456F425-K452 HydrophobicContact CE1-CB 4.48Å; F425-K452 HydrophobicContact CE2-CB 4.49Å; F425-K452 HydrophobicContact CZ-CB 3.66Å; K452-M456 PolarHBondContact O-N 3.28Å
453Y95.6Very high95.3Very high4 Ų448.2 Ų48.22%0.01623%0.228CC..Hα-helixtrans-71.6-45177.8-172.4-108.8000111.8I397 L401 I423 F425 I433 L448 G451 E455 M456 V457I397-Y453 HydrophobicContact CD1-CD1 3.81Å; I397-Y453 HydrophobicContact CD1-CE1 3.33Å; I397-Y453 HydrophobicContact CG1-CE1 3.91Å; I397-Y453 HydrophobicContact CG2-CD1 4.45Å; I397-Y453 HydrophobicContact CG2-CD2 4.17Å; I397-Y453 HydrophobicContact CG2-CE1 3.97Å; I397-Y453 HydrophobicContact CG2-CE2 3.63Å; L401-Y453 WeakPolarHBondContact CD1-OH 3.47Å; I423-Y453 HydrophobicContact CD1-CD1 4.16Å; I423-Y453 HydrophobicContact CD1-CG 4.01Å; F425-Y453 HydrophobicContact CB-CD2 3.57Å; F425-Y453 HydrophobicContact CB-CE2 3.78Å; F425-Y453 AromaticContact CD1-CD2 3.77Å; F425-Y453 HydrophobicContact CD1-CD2 3.77Å; F425-Y453 HydrophobicContact CD1-CG 4.12Å; F425-Y453 AromaticContact CD2-CD2 3.72Å; F425-Y453 HydrophobicContact CD2-CD2 3.72Å; F425-Y453 HydrophobicContact CD2-CE2 4.5Å; F425-Y453 HydrophobicContact CE1-CD2 4.39Å; F425-Y453 HydrophobicContact CE1-CG 4.49Å; F425-Y453 HydrophobicContact CE2-CD2 4.34Å; F425-Y453 AromaticContact CG-CD2 3.4Å; F425-Y453 HydrophobicContact CG-CD2 3.4Å; F425-Y453 VanDerWaalsContact CG-CD2 3.4Å; F425-Y453 HydrophobicContact CG-CE2 4.13Å; F425-Y453 HydrophobicContact CG-CG 4.21Å; I433-Y453 HydrophobicContact CD1-CE2 4.42Å; L448-Y453 HydrophobicContact CD1-CD1 4.03Å; L448-Y453 HydrophobicContact CD1-CE1 4.06Å; L448-Y453 HydrophobicContact CD2-CE1 4.44Å; G451-Y453 PolarHBondContact O-N 2.89Å; G451-Y453 VanDerWaalsContact O-N 3.15Å; Y453-E455 VanDerWaalsContact C-N 3.32Å; Y453-E455 PolarHBondContact O-N 3.5Å; Y453-M456 WeakPolarHBondContact O-CB 3.25Å; Y453-M456 PolarHBondContact O-N 3Å; Y453-M456 VanDerWaalsContact O-N 3.13Å; Y453-V457 HydrophobicContact CD1-CG2 3.99Å; Y453-V457 HydrophobicContact CE1-CG2 3.62Å; Y453-V457 HydrophobicContact CE2-CG2 4.34Å; Y453-V457 HydrophobicContact CG-CG2 4.48Å; Y453-V457 VanDerWaalsContact O-CG2 3.31Å; Y453-V457 WeakPolarHBondContact O-CG2 3.4Å; Y453-V457 PolarHBondContact O-N 3.11Å
454Y95.9Very high95.1Very high20 Ų2049.1 Ų49.18%0.07824%0.238CC..Hα-helixtrans-53.9-49174163.8-95.6000111L448 S449 G451 M456 V457 K458 V470 R471 T472L448-Y454 HydrophobicContact CB-CD2 4.29Å; S449-Y454 WeakPolarHBondContact O-CB 3.27Å; G451-Y454 WeakPolarHBondContact O-CB 3.24Å; G451-Y454 PolarHBondContact O-N 3.31Å; G451-Y454 VanDerWaalsContact O-N 3.1Å; Y454-M456 VanDerWaalsContact C-N 3.3Å; Y454-M456 PolarHBondContact O-N 3.18Å; Y454-V457 PolarHBondContact O-N 3.04Å; Y454-V457 VanDerWaalsContact O-N 3.11Å; Y454-K458 HydrophobicContact CE1-CD 3.98Å; Y454-K458 WeakPolarHBondContact O-CB 3.04Å; Y454-K458 PolarHBondContact O-N 3.02Å; Y454-V470 HydrophobicContact CD2-CG1 3.94Å; Y454-V470 HydrophobicContact CE2-CG1 3.75Å; Y454-R471 WeakPolarHBondContact CE2-O 3.46Å; Y454-T472 HydrophobicContact CD1-CG2 4.31Å; Y454-T472 HydrophobicContact CD2-CG2 4.03Å; Y454-T472 HydrophobicContact CE1-CG2 3.81Å; Y454-T472 HydrophobicContact CE2-CG2 3.47Å; Y454-T472 VanDerWaalsContact CE2-CG2 3.47Å; Y454-T472 HydrophobicContact CG-CG2 4.42Å
455E95.8Very high94.8Very high100 Ų10051.3 Ų51.347%0.46725%0.25SS..Hα-helixtrans-60-38.4177.8-70.5-58.1147.600112.7G451 Y453 G459G451-E455 PolarHBondContact O-N 3.47Å; G451-E455 VanDerWaalsContact O-N 3.08Å; Y453-E455 VanDerWaalsContact C-N 3.32Å; Y453-E455 PolarHBondContact O-N 3.5Å; E455-G459 PolarHBondContact O-N 3.44Å
456M96Very high94.4Very high31 Ų3153.6 Ų53.615%0.15327%0.266CS..Hα-helixtrans-64.9-42.9174.9-174.1-176.4-60.500112.2F425 R430 I433 K452 Y453 Y454 N460F425-M456 HydrophobicContact CD2-CE 3.94Å; F425-M456 HydrophobicContact CE2-CE 3.83Å; R430-M456 HydrophobicContact CG-CG 4.2Å; R430-M456 HydrophobicContact CG-SD 3.96Å; I433-M456 HydrophobicContact CD1-CG 4.1Å; I433-M456 HydrophobicContact CD1-SD 4.23Å; K452-M456 PolarHBondContact O-N 3.28Å; Y453-M456 WeakPolarHBondContact O-CB 3.25Å; Y453-M456 PolarHBondContact O-N 3Å; Y453-M456 VanDerWaalsContact O-N 3.13Å; Y454-M456 VanDerWaalsContact C-N 3.3Å; Y454-M456 PolarHBondContact O-N 3.18Å; M456-N460 PolarHBondContact O-N 2.81Å; M456-N460 VanDerWaalsContact O-N 3.17Å; M456-N460 PolarHBondContact O-ND2 3.48Å
457V96.8Very high93.5Very high0 Ų057.2 Ų57.20%029%0.289CS..Hα-helixtrans-65.9-49.3178.8176.90000110.1I433 L446 L448 Y453 Y454 G459 N460 F461 V470I433-V457 HydrophobicContact CD1-CB 4.33Å; I433-V457 HydrophobicContact CD1-CG2 3.53Å; I433-V457 HydrophobicContact CG1-CG2 3.89Å; I433-V457 HydrophobicContact CG2-CG1 4.23Å; L446-V457 HydrophobicContact CD2-CG1 3.58Å; L446-V457 HydrophobicContact CG-CG1 4.41Å; L448-V457 HydrophobicContact CD1-CB 3.86Å; L448-V457 HydrophobicContact CD1-CG1 3.95Å; L448-V457 HydrophobicContact CD1-CG2 3.68Å; Y453-V457 HydrophobicContact CD1-CG2 3.99Å; Y453-V457 HydrophobicContact CE1-CG2 3.62Å; Y453-V457 HydrophobicContact CE2-CG2 4.34Å; Y453-V457 HydrophobicContact CG-CG2 4.48Å; Y453-V457 VanDerWaalsContact O-CG2 3.31Å; Y453-V457 WeakPolarHBondContact O-CG2 3.4Å; Y453-V457 PolarHBondContact O-N 3.11Å; Y454-V457 PolarHBondContact O-N 3.04Å; Y454-V457 VanDerWaalsContact O-N 3.11Å; V457-G459 PolarHBondContact O-N 3.43Å; V457-N460 PolarHBondContact O-N 2.73Å; V457-N460 VanDerWaalsContact O-N 3.17Å; V457-F461 HydrophobicContact CG1-CD2 4Å; V457-F461 HydrophobicContact CG1-CE2 4.1Å; V457-F461 WeakPolarHBondContact O-CD2 3.37Å; V457-F461 PolarHBondContact O-N 3.01Å; V457-V470 HydrophobicContact CB-CG1 4.34Å; V457-V470 HydrophobicContact CG1-CG1 3.87Å; V457-V470 HydrophobicContact CG1-CG2 3.79Å
458K96Very high93Very high63 Ų6367.4 Ų67.427%0.27433%0.328SS..Hα-helixtrans-54.5-53.4176.6-177.3-178.8-179.3178.40111.4Y454 N460 F461 E462 V470Y454-K458 HydrophobicContact CE1-CD 3.98Å; Y454-K458 WeakPolarHBondContact O-CB 3.04Å; Y454-K458 PolarHBondContact O-N 3.02Å; K458-N460 VanDerWaalsContact C-N 3.26Å; K458-N460 PolarHBondContact O-N 3.45Å; K458-F461 PolarHBondContact O-N 2.87Å; K458-F461 VanDerWaalsContact O-N 3.08Å; K458-E462 WeakPolarHBondContact CE-OE1 3.47Å; K458-E462 HydrophobicContact CG-CG 4.36Å; K458-E462 WeakPolarHBondContact O-CG 3.36Å; K458-E462 PolarHBondContact O-N 3.36Å; K458-V470 HydrophobicContact CB-CB 4.43Å; K458-V470 HydrophobicContact CB-CG1 4.16Å
459G95.3Very high92.8Very high20 Ų2068 Ų6821%0.20633%0.332CS..Hα-helixtrans-60.5-31.8179.300000113.9E455 V457 R463E455-G459 PolarHBondContact O-N 3.44Å; V457-G459 PolarHBondContact O-N 3.43Å; G459-R463 WeakPolarHBondContact O-CD 3.49Å; G459-R463 WeakPolarHBondContact O-CG 3.43Å; G459-R463 PolarHBondContact O-N 3.41Å
460N94.3Very high92.9Very high12 Ų1267.9 Ų67.96%0.06433%0.33CS..Hα-helixtrans-71.9-39173.9-80.4-34.8000112.9I433 R437 M456 V457 K458 A464I433-N460 WeakPolarHBondContact CD1-ND2 3.24Å; I433-N460 HydrophobicContact CG2-CB 3.81Å; R437-N460 PolarHBondContact NH1-O 3.38Å; M456-N460 PolarHBondContact O-N 2.81Å; M456-N460 VanDerWaalsContact O-N 3.17Å; M456-N460 PolarHBondContact O-ND2 3.48Å; V457-N460 PolarHBondContact O-N 2.73Å; V457-N460 VanDerWaalsContact O-N 3.17Å; K458-N460 VanDerWaalsContact C-N 3.26Å; K458-N460 PolarHBondContact O-N 3.45Å; N460-A464 PolarHBondContact O-N 3.38Å
461F95.4Very high93Very high4 Ų467.6 Ų67.62%0.01832%0.322CS..Hα-helixtrans-72.7-36.5177.7-89.3-98.1000112.4I433 R437 L443 L446 V457 K458 A464 E465 C466 V469 V470I433-F461 HydrophobicContact CG2-CD2 4.05Å; I433-F461 HydrophobicContact CG2-CE2 3.81Å; R437-F461 HydrophobicContact CB-CE1 4.04Å; R437-F461 HydrophobicContact CB-CE2 4.38Å; R437-F461 HydrophobicContact CB-CZ 3.75Å; R437-F461 HydrophobicContact CG-CD1 4.33Å; R437-F461 HydrophobicContact CG-CE1 3.72Å; R437-F461 HydrophobicContact CG-CZ 3.98Å; L443-F461 HydrophobicContact CD2-CZ 4.12Å; L446-F461 HydrophobicContact CD2-CE2 4.18Å; V457-F461 HydrophobicContact CG1-CD2 4Å; V457-F461 HydrophobicContact CG1-CE2 4.1Å; V457-F461 WeakPolarHBondContact O-CD2 3.37Å; V457-F461 PolarHBondContact O-N 3.01Å; K458-F461 PolarHBondContact O-N 2.87Å; K458-F461 VanDerWaalsContact O-N 3.08Å; F461-A464 CarbonylContact O-C 3.6Å; F461-A464 PolarHBondContact O-N 3.3Å; F461-E465 PolarHBondContact O-N 2.9Å; F461-C466 HydrophobicContact CD1-CB 3.94Å; F461-C466 CarbonylContact O-C 3.47Å; F461-C466 PolarHBondContact O-N 2.93Å; F461-V469 HydrophobicContact CD1-CB 3.74Å; F461-V469 HydrophobicContact CD1-CG1 3.96Å; F461-V469 HydrophobicContact CD1-CG2 4.13Å; F461-V469 HydrophobicContact CE1-CB 3.9Å; F461-V469 HydrophobicContact CE1-CG1 3.6Å; F461-V469 HydrophobicContact CE1-CG2 4.25Å; F461-V469 HydrophobicContact CZ-CG1 4.23Å; F461-V470 HydrophobicContact CB-CG2 3.64Å; F461-V470 HydrophobicContact CD1-CG2 4.26Å; F461-V470 HydrophobicContact CD2-CG2 3.56Å; F461-V470 HydrophobicContact CE2-CG2 4.25Å; F461-V470 HydrophobicContact CG-CG2 3.55Å
462E94.4Very high93.1Very high95 Ų9567.1 Ų67.144%0.44431%0.314SS..Hα-helixtrans-62.2-44.3173.7-73.3175.617000112K458 A464 E465 P467K458-E462 WeakPolarHBondContact CE-OE1 3.47Å; K458-E462 HydrophobicContact CG-CG 4.36Å; K458-E462 WeakPolarHBondContact O-CG 3.36Å; K458-E462 PolarHBondContact O-N 3.36Å; E462-A464 PolarHBondContact O-N 2.66Å; E462-E465 PolarHBondContact O-N 3.49Å; E462-P467 HydrophobicContact CG-CB 4.14Å
463R92.8Very high92.9Very high197 Ų19760.7 Ų60.774%0.74329%0.29SS*.Hα-helixtrans-62.8-23.8174.8-73.2170.8-172.2-174.80.6113.7G459 E465G459-R463 WeakPolarHBondContact O-CD 3.49Å; G459-R463 WeakPolarHBondContact O-CG 3.43Å; G459-R463 PolarHBondContact O-N 3.41Å; R463-E465 VanDerWaalsContact C-N 3.31Å
464A92Very high92.6Very high35 Ų3565.8 Ų65.829%0.28932%0.321SS..THydrogen-bonded Turntrans-94.214.1176.100000112.6N460 F461 E462 C466N460-A464 PolarHBondContact O-N 3.38Å; F461-A464 CarbonylContact O-C 3.6Å; F461-A464 PolarHBondContact O-N 3.3Å; E462-A464 PolarHBondContact O-N 2.66Å; A464-C466 PolarHBondContact O-N 3.34Å
465E89.5Confident92.1Very high177 Ų17770 Ų7083%0.82735%0.35SS*.THydrogen-bonded Turntrans61.224.7178.9-54.5-177.8164.500114.1F461 E462 R463 P467F461-E465 PolarHBondContact O-N 2.9Å; E462-E465 PolarHBondContact O-N 3.49Å; R463-E465 VanDerWaalsContact C-N 3.31Å; E465-P467 VanDerWaalsContact O-CD 3.26Å; E465-P467 WeakPolarHBondContact O-CD 3.38Å
466C87Confident91.8Very high52 Ų5269.2 Ų69.235%0.35134%0.343SS..  trans-116.652.7178-68.80000112.8F461 A464 R468 V469F461-C466 HydrophobicContact CD1-CB 3.94Å; F461-C466 CarbonylContact O-C 3.47Å; F461-C466 PolarHBondContact O-N 2.93Å; A464-C466 PolarHBondContact O-N 3.34Å; C466-R468 VanDerWaalsContact C-N 3.27Å; C466-R468 PolarHBondContact O-N 2.95Å; C466-R468 VanDerWaalsContact O-N 3.17Å; C466-V469 HydrophobicContact CB-CG2 4.16Å; C466-V469 PolarHBondContact O-N 3.4Å
467P79.5Confident91.6Very high77 Ų7774.1 Ų74.150%0.537%0.368SS..THydrogen-bonded Turntrans-66.3-22.9-168.327.9-36.8000114.6E462 E465 V469E462-P467 HydrophobicContact CG-CB 4.14Å; E465-P467 VanDerWaalsContact O-CD 3.26Å; E465-P467 WeakPolarHBondContact O-CD 3.38Å; P467-V469 VanDerWaalsContact C-N 3.33Å; P467-V469 PolarHBondContact O-N 3.36Å
468R86Confident91.5Very high215 Ų21574.3 Ų74.381%0.81137%0.369SS*.THydrogen-bonded Turntrans-84.6-1.9-173.6-65.8-174.4176-173.4-1.9114.9C466C466-R468 VanDerWaalsContact C-N 3.27Å; C466-R468 PolarHBondContact O-N 2.95Å; C466-R468 VanDerWaalsContact O-N 3.17Å
469V91.7Very high91.4Very high17 Ų1773.7 Ų73.710%0.10337%0.373CS..SBendtrans-81.4-39.4-175.4179.20000111.7L443 S445 L446 F461 C466 P467L443-V469 HydrophobicContact CD2-CG1 4.32Å; L443-V469 HydrophobicContact CG-CG1 4.13Å; S445-V469 CarbonylContact C-O 3.55Å; S445-V469 VanDerWaalsContact CA-O 3.28Å; S445-V469 WeakPolarHBondContact CA-O 3.29Å; L446-V469 HydrophobicContact CB-CG1 4.3Å; L446-V469 PolarHBondContact N-O 3.37Å; F461-V469 HydrophobicContact CD1-CB 3.74Å; F461-V469 HydrophobicContact CD1-CG1 3.96Å; F461-V469 HydrophobicContact CD1-CG2 4.13Å; F461-V469 HydrophobicContact CE1-CB 3.9Å; F461-V469 HydrophobicContact CE1-CG1 3.6Å; F461-V469 HydrophobicContact CE1-CG2 4.25Å; F461-V469 HydrophobicContact CZ-CG1 4.23Å; C466-V469 HydrophobicContact CB-CG2 4.16Å; C466-V469 PolarHBondContact O-N 3.4Å; P467-V469 VanDerWaalsContact C-N 3.33Å; P467-V469 PolarHBondContact O-N 3.36Å
470V96.3Very high91.6Very high12 Ų1272.7 Ų72.77%0.07336%0.363CS..EExtended strand (participates in β ladder)trans-91.1129.8-170.5-170.80000110.6L446 Y454 V457 K458 F461L446-V470 WeakPolarHBondContact O-CA 3.35Å; Y454-V470 HydrophobicContact CD2-CG1 3.94Å; Y454-V470 HydrophobicContact CE2-CG1 3.75Å; V457-V470 HydrophobicContact CB-CG1 4.34Å; V457-V470 HydrophobicContact CG1-CG1 3.87Å; V457-V470 HydrophobicContact CG1-CG2 3.79Å; K458-V470 HydrophobicContact CB-CB 4.43Å; K458-V470 HydrophobicContact CB-CG1 4.16Å; F461-V470 HydrophobicContact CB-CG2 3.64Å; F461-V470 HydrophobicContact CD1-CG2 4.26Å; F461-V470 HydrophobicContact CD2-CG2 3.56Å; F461-V470 HydrophobicContact CE2-CG2 4.25Å; F461-V470 HydrophobicContact CG-CG2 3.55Å
471R95.1Very high91.7Very high90 Ų9075 Ų7534%0.3438%0.375SS..EExtended strand (participates in β ladder)trans-134.7161-173.7-56.4-175-177.4-102.9-6.1111.8S445 L446 T447 L448 Y454 Y476S445-R471 WeakPolarHBondContact OG-CD 3.37Å; L446-R471 PolarHBondContact O-N 3.07Å; T447-R471 WeakPolarHBondContact CA-O 3.49Å; T447-R471 HydrophobicContact CG2-CB 4.37Å; L448-R471 PolarHBondContact N-O 3.24Å; Y454-R471 WeakPolarHBondContact CE2-O 3.46Å; R471-Y476 HydrophobicContact CB-CG 4.36Å; R471-Y476 VanDerWaalsContact CD-CD2 3.43Å; R471-Y476 HydrophobicContact CG-CG 4.44Å
472T94.4Very high91.7Very high13 Ų1377.2 Ų77.28%0.0839%0.391CS..EExtended strand (participates in β ladder)trans-98.6147.1173.565.90000110.6L448 Y454 T474 T475 Y476L448-T472 CarbonylContact O-C 3.59Å; L448-T472 VanDerWaalsContact O-CA 3.29Å; L448-T472 WeakPolarHBondContact O-CA 3.29Å; Y454-T472 HydrophobicContact CD1-CG2 4.31Å; Y454-T472 HydrophobicContact CD2-CG2 4.03Å; Y454-T472 HydrophobicContact CE1-CG2 3.81Å; Y454-T472 HydrophobicContact CE2-CG2 3.47Å; Y454-T472 VanDerWaalsContact CE2-CG2 3.47Å; Y454-T472 HydrophobicContact CG-CG2 4.42Å; T472-T474 WeakPolarHBondContact CB-OG1 3.29Å; T472-T474 PolarHBondContact O-N 3.46Å; T472-T474 PolarHBondContact OG1-OG1 3.22Å; T472-T475 PolarHBondContact O-N 2.67Å; T472-T475 VanDerWaalsContact O-N 3.1Å; T472-T475 PolarHBondContact O-OG1 3.35Å; T472-T475 WeakPolarHBondContact OG1-CB 3.47Å; T472-T475 WeakPolarHBondContact OG1-CG2 3.35Å; T472-T475 PolarHBondContact OG1-N 3.33Å; T472-T475 PolarHBondContact OG1-OG1 2.71Å; T472-Y476 PolarHBondContact O-N 3.17Å; T472-Y476 VanDerWaalsContact O-N 3.11Å
473T91.8Very high91.9Very high41 Ų4174.7 Ų74.725%0.25238%0.38SS..THydrogen-bonded Turntrans-61.4-19.6172.4500000113.1E415 Q417 T447 L448E415-T473 HydrophobicContact CG-CG2 4.46Å; Q417-T473 HydrophobicContact CG-CG2 4.29Å; T447-T473 HydrophobicContact CG2-CG2 3.97Å; L448-T473 PolarHBondContact O-N 2.95Å
474T88.2Confident92.2Very high110 Ų11065.7 Ų65.768%0.67535%0.346SS*.THydrogen-bonded Turntrans-78.2-18.2175.753.10000114.1T472T472-T474 WeakPolarHBondContact CB-OG1 3.29Å; T472-T474 PolarHBondContact O-N 3.46Å; T472-T474 PolarHBondContact OG1-OG1 3.22Å
475T86.7Confident92.4Very high110 Ų11070.7 Ų70.768%0.67536%0.358SS*.THydrogen-bonded Turntrans-120.8-6.4-173.8590000112.8T472T472-T475 PolarHBondContact O-N 2.67Å; T472-T475 VanDerWaalsContact O-N 3.1Å; T472-T475 PolarHBondContact O-OG1 3.35Å; T472-T475 WeakPolarHBondContact OG1-CB 3.47Å; T472-T475 WeakPolarHBondContact OG1-CG2 3.35Å; T472-T475 PolarHBondContact OG1-N 3.33Å; T472-T475 PolarHBondContact OG1-OG1 2.71Å
476Y89.7Confident92.7Very high82 Ų8265 Ų6532%0.32233%0.329SS..  trans-155.4136.3-174-168-91.4000111.5T447 R471 T472T447-Y476 HydrophobicContact CG2-CD1 4.41Å; T447-Y476 WeakPolarHBondContact OG1-CD1 3.14Å; R471-Y476 HydrophobicContact CB-CG 4.36Å; R471-Y476 VanDerWaalsContact CD-CD2 3.43Å; R471-Y476 HydrophobicContact CG-CG 4.44Å; T472-Y476 PolarHBondContact O-N 3.17Å; T472-Y476 VanDerWaalsContact O-N 3.11Å
477I89.9Confident93.2Very high134 Ų13466.3 Ų66.369%0.68733%0.327SS*.  trans-119.7131.1175.2-61.4172.2000108.6
478T95.7Very high94Very high4 Ų471.1 Ų71.13%0.02534%0.34CS..  trans-91.3129.3175-54.20000110.1V378 V380 A413 E415V378-T478 HydrophobicContact CG1-CG2 3.48Å; V378-T478 VanDerWaalsContact CG1-CG2 3.48Å; V380-T478 HydrophobicContact CG2-CG2 3.71Å; A413-T478 HydrophobicContact CB-CG2 3.85Å; E415-T478 WeakPolarHBondContact CB-OG1 3.44Å; E415-T478 WeakPolarHBondContact OE2-CB 3.41Å; E415-T478 PolarHBondContact OE2-N 3.43Å; E415-T478 PolarHBondContact OE2-OG1 2.83Å
479S94.8Very high94.5Very high50 Ų5062.9 Ų62.935%0.3531%0.312SS..  trans-132.1145.8178.21740000112.3I481S479-I481 PolarHBondContact O-N 3.32Å; S479-I481 WeakPolarHBondContact OG-CB 3.41Å; S479-I481 WeakPolarHBondContact OG-CG2 3.33Å; S479-I481 PolarHBondContact OG-N 3.2Å; S479-I481 VanDerWaalsContact OG-N 3.1Å
480I98.1Very high94.7Very high0 Ų062.7 Ų62.70%031%0.31CS..G310 helixtrans-75.5-6172.857.7159.6000113.1Y297 A325 D327 M354 V378 S482 L483Y297-I480 HydrophobicContact CD2-CD1 4.25Å; Y297-I480 HydrophobicContact CE1-CD1 4.34Å; Y297-I480 HydrophobicContact CE2-CB 4.24Å; Y297-I480 HydrophobicContact CE2-CD1 3.55Å; Y297-I480 HydrophobicContact CE2-CG1 3.73Å; Y297-I480 WeakPolarHBondContact OH-CG1 3.02Å; A325-I480 HydrophobicContact CB-CB 4.29Å; A325-I480 HydrophobicContact CB-CD1 3.83Å; D327-I480 HydrophobicContact CB-CD1 3.73Å; D327-I480 HydrophobicContact CB-CG1 4.3Å; M354-I480 HydrophobicContact CG-CG2 3.77Å; M354-I480 HydrophobicContact SD-CB 4.19Å; M354-I480 HydrophobicContact SD-CG1 3.78Å; M354-I480 HydrophobicContact SD-CG2 3.82Å; M354-I480 PolarHBondContact SD-N 3.45Å; V378-I480 HydrophobicContact CB-CG2 4.31Å; V378-I480 HydrophobicContact CG1-CG2 4.08Å; I480-S482 PolarHBondContact O-N 3.28Å; I480-L483 HydrophobicContact CB-CD1 4.23Å; I480-L483 HydrophobicContact CG2-CD1 4.37Å; I480-L483 VanDerWaalsContact O-CB 3.24Å; I480-L483 WeakPolarHBondContact O-CB 3.19Å; I480-L483 WeakPolarHBondContact O-CG 3.37Å; I480-L483 PolarHBondContact O-N 3.26Å
481I96.6Very high94.3Very high61 Ų6169.6 Ų69.631%0.31334%0.335SS..G310 helixtrans-52.8-27.9-179.7-161.7169.9000113.1S479 L483 L484 Y487S479-I481 PolarHBondContact O-N 3.32Å; S479-I481 WeakPolarHBondContact OG-CB 3.41Å; S479-I481 WeakPolarHBondContact OG-CG2 3.33Å; S479-I481 PolarHBondContact OG-N 3.2Å; S479-I481 VanDerWaalsContact OG-N 3.1Å; I481-L483 PolarHBondContact O-N 2.95Å; I481-L484 HydrophobicContact CD1-CD1 4.48Å; I481-L484 HydrophobicContact CG1-CD1 3.59Å; I481-L484 HydrophobicContact CG1-CG 4.38Å; I481-L484 WeakPolarHBondContact O-CB 3.23Å; I481-L484 WeakPolarHBondContact O-CG 3.41Å; I481-L484 PolarHBondContact O-N 3.42Å; I481-L484 VanDerWaalsContact O-N 3.13Å; I481-Y487 HydrophobicContact CG2-CE2 4.16Å; I481-Y487 WeakPolarHBondContact O-CD2 3.34Å
482S95.9Very high93.6Very high49 Ų4968.3 Ų68.334%0.34333%0.332SS..G310 helixtrans-60.5-14.4173.9640000114.9I480I480-S482 PolarHBondContact O-N 3.28Å
483L98.1Very high91.9Very high43 Ų4373.7 Ų73.723%0.22536%0.36CS..G310 helixtrans-95.4-6.3-179.7-58.6173.9000113.5A325 H351 I480 I481A325-L483 HydrophobicContact CB-CB 4.17Å; A325-L483 HydrophobicContact CB-CD1 3.76Å; H351-L483 HydrophobicContact CB-CD1 4.01Å; H351-L483 HydrophobicContact CB-CD2 4.09Å; I480-L483 HydrophobicContact CB-CD1 4.23Å; I480-L483 HydrophobicContact CG2-CD1 4.37Å; I480-L483 VanDerWaalsContact O-CB 3.24Å; I480-L483 WeakPolarHBondContact O-CB 3.19Å; I480-L483 WeakPolarHBondContact O-CG 3.37Å; I480-L483 PolarHBondContact O-N 3.26Å; I481-L483 PolarHBondContact O-N 2.95Å
484L98.4Very high91.9Very high7 Ų775.3 Ų75.34%0.03737%0.366CS..SBendtrans-59.1139.2170.5-68.2173.7000110.3T247 L249 E272 Y297 I481 R486 Y487 L490T247-L484 HydrophobicContact CG2-CD2 4.09Å; L249-L484 HydrophobicContact CD1-CD1 3.87Å; L249-L484 HydrophobicContact CD2-CD1 4.05Å; L249-L484 HydrophobicContact CD2-CD2 4.22Å; E272-L484 HydrophobicContact CB-CD2 3.86Å; E272-L484 HydrophobicContact CG-CD2 4.26Å; Y297-L484 HydrophobicContact CD1-CD2 3.93Å; Y297-L484 HydrophobicContact CD2-CD2 3.66Å; Y297-L484 HydrophobicContact CD2-CG 4.19Å; Y297-L484 HydrophobicContact CE1-CD2 4.14Å; Y297-L484 HydrophobicContact CE2-CD2 3.89Å; Y297-L484 HydrophobicContact CE2-CG 4.06Å; Y297-L484 HydrophobicContact CG-CD2 3.7Å; I481-L484 HydrophobicContact CD1-CD1 4.48Å; I481-L484 HydrophobicContact CG1-CD1 3.59Å; I481-L484 HydrophobicContact CG1-CG 4.38Å; I481-L484 WeakPolarHBondContact O-CB 3.23Å; I481-L484 WeakPolarHBondContact O-CG 3.41Å; I481-L484 PolarHBondContact O-N 3.42Å; I481-L484 VanDerWaalsContact O-N 3.13Å; L484-R486 PolarHBondContact O-N 3.32Å; L484-R486 VanDerWaalsContact O-N 3.12Å; L484-Y487 VanDerWaalsContact O-CB 3.27Å; L484-Y487 WeakPolarHBondContact O-CB 3.13Å; L484-Y487 PolarHBondContact O-N 3.49Å; L484-L490 HydrophobicContact CD1-CD1 3.71Å
485R97.4Very high92.1Very high140 Ų14073.5 Ų73.553%0.52835%0.349SS..THydrogen-bonded Turntrans-54.5-34.9177.6179.6-178-62.5-1551.4112.3E272E272-R485 WeakPolarHBondContact OE1-CB 3.3Å; E272-R485 PolarHBondContact OE1-N 3.23Å; E272-R485 PolarHBondContact OE2-N 2.95Å
486R96.3Very high92.4Very high57 Ų5771.4 Ų71.422%0.21533%0.331CS..THydrogen-bonded Turntrans-102.416.6-179.4-63-68.5173.5-1241.8113.4E220 C221 L484 K488 D489 L490E220-R486 IonicContact OE2-CZ 3.15Å; E220-R486 IonicContact OE2-NE 2.76Å; E220-R486 PolarHBondContact OE2-NE 2.85Å; E220-R486 IonicContact OE2-NH2 3.3Å; E220-R486 PolarHBondContact OE2-NH2 2.91Å; C221-R486 HydrophobicContact CB-CB 4.34Å; C221-R486 HydrophobicContact CB-CG 4.3Å; L484-R486 PolarHBondContact O-N 3.32Å; L484-R486 VanDerWaalsContact O-N 3.12Å; R486-K488 VanDerWaalsContact C-N 3.28Å; R486-K488 PolarHBondContact O-N 2.67Å; R486-K488 VanDerWaalsContact O-N 3.16Å; R486-D489 HydrophobicContact CB-CB 4.47Å; R486-D489 WeakPolarHBondContact CD-OD2 3.42Å; R486-D489 CarbonylContact O-C 3.28Å; R486-D489 WeakPolarHBondContact O-CA 3.33Å; R486-D489 WeakPolarHBondContact O-CB 3.43Å; R486-D489 PolarHBondContact O-N 2.97Å; R486-L490 PolarHBondContact O-N 2.92Å
487Y97Very high92.6Very high81 Ų8170.8 Ų70.832%0.31833%0.332SS..Hα-helixtrans-51.2-44-179.5173.4-116.9000113.5I481 L484 D489 L490 R491I481-Y487 HydrophobicContact CG2-CE2 4.16Å; I481-Y487 WeakPolarHBondContact O-CD2 3.34Å; L484-Y487 VanDerWaalsContact O-CB 3.27Å; L484-Y487 WeakPolarHBondContact O-CB 3.13Å; L484-Y487 PolarHBondContact O-N 3.49Å; Y487-D489 PolarHBondContact O-N 2.95Å; Y487-L490 PolarHBondContact O-N 3.41Å; Y487-L490 VanDerWaalsContact O-N 3.15Å; Y487-R491 HydrophobicContact CE1-CG 4.27Å; Y487-R491 HydrophobicContact CE2-CG 4.06Å; Y487-R491 WeakPolarHBondContact O-CG 3.47Å; Y487-R491 PolarHBondContact O-N 3.3Å; Y487-R491 VanDerWaalsContact O-N 3.11Å
488K95.2Very high92.7Very high177 Ų17766.9 Ų66.977%0.7731%0.31SS*.Hα-helixtrans-61.3-34.2178.3-70.1-175.4179.8179.30113.1R486R486-K488 VanDerWaalsContact C-N 3.28Å; R486-K488 PolarHBondContact O-N 2.67Å; R486-K488 VanDerWaalsContact O-N 3.16Å
489D96.7Very high92.5Very high42 Ų4271.1 Ų71.123%0.22533%0.329CS..Hα-helixtrans-79.8-29.3179.2-56.6-36.1000110.5I160 H162 V195 R486 Y487I160-D489 HydrophobicContact CD1-CB 3.64Å; I160-D489 WeakPolarHBondContact CD1-OD1 3.25Å; I160-D489 HydrophobicContact CG1-CB 4.21Å; I160-D489 WeakPolarHBondContact CG2-O 3.41Å; H162-D489 PolarHBondContact NE2-O 3.22Å; V195-D489 HydrophobicContact CG2-CB 4Å; R486-D489 HydrophobicContact CB-CB 4.47Å; R486-D489 WeakPolarHBondContact CD-OD2 3.42Å; R486-D489 CarbonylContact O-C 3.28Å; R486-D489 WeakPolarHBondContact O-CA 3.33Å; R486-D489 WeakPolarHBondContact O-CB 3.43Å; R486-D489 PolarHBondContact O-N 2.97Å; Y487-D489 PolarHBondContact O-N 2.95Å
490L95.6Very high92.4Very high13 Ų1372.6 Ų72.67%0.06833%0.327CS..Hα-helixtrans-80.9-11.4178-76.4170.3000114.6H162 V195 N197 A223 L249 L484 R486 Y487 F492H162-L490 PolarHBondContact CE1-O 2.75Å; V195-L490 HydrophobicContact CG1-CD2 3.88Å; V195-L490 HydrophobicContact CG1-CG 4.39Å; N197-L490 HydrophobicContact CB-CD2 4.37Å; A223-L490 HydrophobicContact CB-CD2 4.14Å; L249-L490 HydrophobicContact CD1-CD1 3.92Å; L484-L490 HydrophobicContact CD1-CD1 3.71Å; R486-L490 PolarHBondContact O-N 2.92Å; Y487-L490 PolarHBondContact O-N 3.41Å; Y487-L490 VanDerWaalsContact O-N 3.15Å; L490-F492 WeakPolarHBondContact O-CD1 3.46Å; L490-F492 PolarHBondContact O-N 2.82Å
491R89.6Confident91.9Very high157 Ų15778.2 Ų78.259%0.59235%0.352SS*.  trans-66.2118.1175.5-75.4-178.367.1-159.9-3109.4Y133 Y487Y133-R491 PolarHBondContact OH-O 2.94Å; Y487-R491 HydrophobicContact CE1-CG 4.27Å; Y487-R491 HydrophobicContact CE2-CG 4.06Å; Y487-R491 WeakPolarHBondContact O-CG 3.47Å; Y487-R491 PolarHBondContact O-N 3.3Å; Y487-R491 VanDerWaalsContact O-N 3.11Å
492F79.7Confident91.6Very high64 Ų6479.6 Ų79.628%0.28136%0.356SS..  trans-119.5156.7160.662.2-82.5000107.7Y133 H162 I164 N197 F199 L490Y133-F492 WeakPolarHBondContact OH-CA 3.4Å; H162-F492 AromaticContact CE1-CD1 3.96Å; H162-F492 AromaticContact ND1-CD1 3.6Å; I164-F492 HydrophobicContact CB-CD2 4.43Å; I164-F492 HydrophobicContact CB-CE2 4.28Å; I164-F492 HydrophobicContact CD1-CD1 3.77Å; I164-F492 HydrophobicContact CD1-CD2 3.74Å; I164-F492 HydrophobicContact CD1-CE1 3.75Å; I164-F492 HydrophobicContact CD1-CE2 3.69Å; I164-F492 HydrophobicContact CD1-CG 3.76Å; I164-F492 HydrophobicContact CD1-CZ 3.69Å; I164-F492 HydrophobicContact CG1-CD1 4.48Å; I164-F492 HydrophobicContact CG1-CD2 3.6Å; I164-F492 HydrophobicContact CG1-CE2 3.79Å; I164-F492 HydrophobicContact CG1-CG 3.96Å; I164-F492 HydrophobicContact CG1-CZ 4.32Å; I164-F492 HydrophobicContact CG2-CD2 4.07Å; I164-F492 HydrophobicContact CG2-CE2 3.51Å; I164-F492 HydrophobicContact CG2-CZ 4.14Å; N197-F492 WeakPolarHBondContact ND2-CD1 3.31Å; N197-F492 WeakPolarHBondContact ND2-CE1 3.28Å; F199-F492 HydrophobicContact CB-CZ 4.36Å; F199-F492 HydrophobicContact CD1-CZ 4.49Å; F199-F492 HydrophobicContact CD2-CZ 4.43Å; F199-F492 HydrophobicContact CG-CZ 4.19Å; L490-F492 WeakPolarHBondContact O-CD1 3.46Å; L490-F492 PolarHBondContact O-N 2.82Å
493N58.8Low91.2Very high125 Ų12582.4 Ų82.467%0.66836%0.357SS*.  trans-68.60-174.1-82.2-58.5000113R54 E84R54-N493 PolarHBondContact NH2-ND2 3.1Å; R54-N493 PolarHBondContact NH2-OD1 3.17Å; E84-N493 PolarHBondContact OE1-ND2 3.06Å; E84-N493 PolarHBondContact OE2-ND2 3.23Å; E84-N493 VanDerWaalsContact OE2-ND2 3.07Å

Retrieved 493 of 493 residues in 860.8 ms (Link to these results)

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