A0A096M737_POEFO Loading...

NPR2 like, GATOR1 complex subunit

AlphaFold DB , UniProt , Accession A0A096M737, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 381 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
1M23.8Very low55.6Low236 Ų23691.2 Ų91.2100%1.16345%0.448SS*.  0112.40-78.1176.1-173.500107.4N3M1-N3 PolarHBondContact O-N 2.96Å; M1-N3 VanDerWaalsContact O-N 3.11Å
2L30.6Very low57.6Low156 Ų15683.8 Ų83.882%0.81741%0.412SS*.  trans-61112.5173.4-87.6126.9000107.7M4L2-M4 PolarHBondContact O-N 2.93Å
3N35.4Very low59.3Low119 Ų11977.5 Ų77.564%0.63638%0.381SS*.  trans-58.8107.6169.6-94.3-6.6000107.8M1 T5M1-N3 PolarHBondContact O-N 2.96Å; M1-N3 VanDerWaalsContact O-N 3.11Å; N3-T5 HydrophobicContact CB-CG2 3.83Å; N3-T5 PolarHBondContact O-N 3.11Å; N3-T5 PolarHBondContact O-OG1 3.01Å
4M39.7Very low60.3Low168 Ų16872 Ų7283%0.82835%0.354SS*.  trans-64.148.5166.2-74.9-94.2170.200110.6L2L2-M4 PolarHBondContact O-N 2.93Å
5T51.2Low61.3Low59 Ų5968.7 Ų68.736%0.36234%0.337SS..  trans-101.86.3-172.749.50000113.1N3 T94 N95N3-T5 HydrophobicContact CB-CG2 3.83Å; N3-T5 PolarHBondContact O-N 3.11Å; N3-T5 PolarHBondContact O-OG1 3.01Å; T5-T94 WeakPolarHBondContact O-CG2 3.27Å; T5-N95 PolarHBondContact O-N 3.5Å
6T58.9Low61.8Low29 Ų2968.3 Ų68.318%0.17833%0.333CS..  trans-13964.8177.6540000110.9T94 N95T6-T94 HydrophobicContact CG2-CG2 4.16Å; T6-N95 HydrophobicContact CG2-CB 4.25Å; T6-N95 VanDerWaalsContact CG2-O 3.25Å; T6-N95 WeakPolarHBondContact CG2-O 3.4Å
7R68.9Low61.8Low174 Ų17468.9 Ų68.966%0.65734%0.335SS*.  trans-90.8124.7173-169.1174.4-177177-0.3109.2
8I74.1Confident61.4Low4 Ų468.1 Ų68.12%0.02134%0.336CS..EExtended strand (participates in β ladder)trans-86.1124173.6-58.6165.4000106.7I11 F88 L99 L137 L140 N141I8-I11 HydrophobicContact CG2-CG1 4.1Å; I8-F88 HydrophobicContact CD1-CD1 3.88Å; I8-F88 HydrophobicContact CD1-CE1 3.94Å; I8-F88 HydrophobicContact CG1-CD1 4.33Å; I8-F88 HydrophobicContact CG2-CD1 3.75Å; I8-F88 HydrophobicContact CG2-CE1 4.43Å; I8-L99 HydrophobicContact CD1-CD2 3.88Å; I8-L99 HydrophobicContact CG1-CD1 4.18Å; I8-L99 HydrophobicContact CG1-CD2 4.16Å; I8-L137 HydrophobicContact CB-CD1 4.26Å; I8-L137 HydrophobicContact CG2-CD1 3.71Å; I8-L140 HydrophobicContact CD1-CB 3.8Å; I8-L140 HydrophobicContact CD1-CD1 3.68Å; I8-L140 HydrophobicContact CD1-CG 4.38Å; I8-N141 PolarHBondContact N-OD1 2.83Å; I8-N141 PolarHBondContact O-ND2 3.01Å
9E73.7Confident61Low57 Ų5770.6 Ų70.627%0.26636%0.356SS..EExtended strand (participates in β ladder)trans-89.5-39.6-179.6-60.5-171.2124.800111.1P29 Y32 V89E9-P29 VanDerWaalsContact O-CD 3.27Å; E9-P29 WeakPolarHBondContact O-CD 3.42Å; E9-Y32 HydrophobicContact CB-CE1 4.02Å; E9-Y32 PolarHBondContact OE1-OH 3.07Å; E9-Y32 PolarHBondContact OE2-OH 3.13Å; E9-V89 PolarHBondContact N-O 2.91Å
10C74.1Confident60.6Low0 Ų072.2 Ų72.20%037%0.365CS..EExtended strand (participates in β ladder)trans-146.6154.7178.3-71.50000113.4V28 P29 Y32 V89C10-V28 VanDerWaalsContact CA-O 3.26Å; C10-V28 WeakPolarHBondContact CA-O 3.23Å; C10-P29 WeakPolarHBondContact SG-CD 3.43Å; C10-Y32 HydrophobicContact CB-CD1 4.2Å; C10-Y32 WeakPolarHBondContact SG-CB 3.23Å; C10-Y32 WeakPolarHBondContact SG-CD1 3.34Å; C10-V89 HydrophobicContact CB-CB 3.93Å; C10-V89 HydrophobicContact CB-CG2 3.96Å; C10-V89 PolarHBondContact N-O 3.47Å; C10-V89 PolarHBondContact O-N 2.86Å
11I80.9Confident60.8Low1 Ų169.6 Ų69.61%0.00536%0.356CS..EExtended strand (participates in β ladder)trans-121.2133.9162.6-48.1177.8000106.9I8 V28 L86 G87 F88 M133 L136 L137I8-I11 HydrophobicContact CG2-CG1 4.1Å; I11-V28 PolarHBondContact N-O 2.62Å; I11-V28 PolarHBondContact O-N 3.42Å; I11-L86 HydrophobicContact CG2-CD2 4.21Å; I11-G87 WeakPolarHBondContact CA-O 3.27Å; I11-F88 HydrophobicContact CD1-CD1 4.14Å; I11-F88 HydrophobicContact CD1-CE1 3.48Å; I11-F88 VanDerWaalsContact CD1-CE1 3.48Å; I11-F88 HydrophobicContact CD1-CZ 4.05Å; I11-F88 HydrophobicContact CG1-CD1 3.8Å; I11-F88 HydrophobicContact CG1-CE1 3.68Å; I11-F88 HydrophobicContact CG1-CZ 4.4Å; I11-F88 HydrophobicContact CG2-CE1 4.38Å; I11-F88 HydrophobicContact CG2-CZ 4.35Å; I11-M133 HydrophobicContact CB-CE 3.76Å; I11-M133 HydrophobicContact CG2-CE 3.41Å; I11-M133 VanDerWaalsContact CG2-CE 3.41Å; I11-M133 HydrophobicContact CG2-CG 4.46Å; I11-M133 VanDerWaalsContact O-CE 3.28Å; I11-M133 WeakPolarHBondContact O-CE 3.43Å; I11-L136 HydrophobicContact CD1-CB 4.02Å; I11-L137 HydrophobicContact CD1-CB 4.21Å; I11-L137 HydrophobicContact CD1-CD1 4.27Å; I11-L137 HydrophobicContact CG1-CD1 3.94Å
12F79.6Confident62.7Low3 Ų359.5 Ų59.51%0.01331%0.308CS..EExtended strand (participates in β ladder)trans-127.6147.8174.669.5-87.5000110.7I24 Y26 Q27 I33 I45 L65 G87 V89F12-I24 HydrophobicContact CB-CG2 4.3Å; F12-I24 HydrophobicContact CD2-CG1 4.33Å; F12-Y26 CarbonylContact C-O 3.56Å; F12-Y26 WeakPolarHBondContact CA-O 3.28Å; F12-Q27 HydrophobicContact CB-CG 4.21Å; F12-I33 HydrophobicContact CB-CD1 3.95Å; F12-I33 HydrophobicContact CD1-CD1 3.6Å; F12-I33 HydrophobicContact CE1-CD1 4.24Å; F12-I33 HydrophobicContact CG-CD1 3.82Å; F12-I45 HydrophobicContact CE2-CD1 4.08Å; F12-I45 HydrophobicContact CE2-CG1 4.14Å; F12-I45 HydrophobicContact CE2-CG2 4.24Å; F12-I45 HydrophobicContact CZ-CD1 4.35Å; F12-I45 HydrophobicContact CZ-CG1 4.29Å; F12-L65 HydrophobicContact CE1-CD2 4.14Å; F12-L65 HydrophobicContact CZ-CD2 4.31Å; F12-G87 WeakPolarHBondContact CD1-O 3.42Å; F12-G87 PolarHBondContact N-O 2.92Å; F12-G87 PolarHBondContact O-N 3.12Å; F12-V89 HydrophobicContact CD1-CG2 3.75Å; F12-V89 HydrophobicContact CE1-CG2 3.83Å
13F80.2Confident64.4Low2 Ų256.6 Ų56.61%0.00929%0.289CS..EExtended strand (participates in β ladder)trans-120.6124.6174-178.2-100.3000108.4T25 Y26 F84 L86 L110 I120 L129 M133F13-T25 VanDerWaalsContact CD1-OG1 3.22Å; F13-T25 WeakPolarHBondContact CD1-OG1 3.41Å; F13-T25 PolarHBondContact O-N 3.34Å; F13-T25 PolarHBondContact O-OG1 2.98Å; F13-Y26 HydrophobicContact CD1-CD2 4.05Å; F13-Y26 PolarHBondContact N-O 2.95Å; F13-Y26 PolarHBondContact O-N 2.91Å; F13-F84 HydrophobicContact CE2-CB 4.05Å; F13-F84 AromaticContact CE2-CD2 3.67Å; F13-F84 HydrophobicContact CE2-CD2 3.67Å; F13-F84 HydrophobicContact CE2-CE2 4.49Å; F13-F84 HydrophobicContact CE2-CG 4.13Å; F13-F84 HydrophobicContact CZ-CB 3.83Å; F13-F84 HydrophobicContact CZ-CD2 4.17Å; F13-F84 HydrophobicContact CZ-CG 4.17Å; F13-L86 HydrophobicContact CD2-CB 4.34Å; F13-L110 HydrophobicContact CE2-CD1 4.49Å; F13-I120 HydrophobicContact CZ-CD1 4.49Å; F13-I120 HydrophobicContact CZ-CG2 4.38Å; F13-L129 HydrophobicContact CB-CD2 4.11Å; F13-L129 HydrophobicContact CE2-CD1 4.49Å; F13-L129 HydrophobicContact CG-CD2 4.15Å; F13-M133 HydrophobicContact CB-CE 4.1Å; F13-M133 HydrophobicContact CB-SD 4.26Å
14S73.1Confident65.9Low0 Ų053.1 Ų53.10%027%0.27CS..EExtended strand (participates in β ladder)trans-121.5137.6-177.6-176.90000110K23 I45 F84 N85S14-K23 WeakPolarHBondContact CA-O 3.3Å; S14-K23 PolarHBondContact OG-O 3.13Å; S14-I45 WeakPolarHBondContact OG-CG2 3.36Å; S14-F84 CarbonylContact O-C 3.55Å; S14-F84 VanDerWaalsContact O-CA 3.32Å; S14-F84 WeakPolarHBondContact O-CA 3.35Å; S14-N85 PolarHBondContact N-O 3.46Å; S14-N85 PolarHBondContact O-N 3.11Å
15E75.2Confident67.2Low23 Ų2347.8 Ų47.811%0.10725%0.247CC..EExtended strand (participates in β ladder)trans-125.7144.3179.1-171.4179.9172.100109.3H17 K23 T25 K126E15-H17 PolarHBondContact O-N 2.85Å; E15-K23 PolarHBondContact N-O 3.46Å; E15-K23 PolarHBondContact O-N 2.92Å; E15-T25 HydrophobicContact CB-CG2 4.06Å; E15-K126 IonicContact OE1-NZ 3.39Å; E15-K126 PolarHBondContact OE1-NZ 3.34Å; E15-K126 IonicContact OE2-NZ 2.7Å; E15-K126 PolarHBondContact OE2-NZ 3.44Å
16F69.3Low68.2Low61 Ų6147.4 Ų47.427%0.26824%0.239SC..EExtended strand (participates in β ladder)trans-83.8104.9171.2-168.6-99.6000110.2P22 I46 L83F16-P22 HydrophobicContact CD2-CG 4.13Å; F16-P22 HydrophobicContact CE2-CG 4.17Å; F16-I46 HydrophobicContact CB-CD1 3.84Å; F16-I46 HydrophobicContact CD2-CD1 3.8Å; F16-I46 HydrophobicContact CD2-CG2 3.97Å; F16-I46 HydrophobicContact CG-CD1 4.33Å; F16-L83 HydrophobicContact CB-CB 3.72Å; F16-L83 HydrophobicContact CB-CD1 4.32Å; F16-L83 HydrophobicContact CD1-CD1 4.29Å; F16-L83 HydrophobicContact CG-CD1 4.31Å; F16-L83 PolarHBondContact N-O 3.48Å
17H61.3Low68.9Low80 Ų8047.1 Ų47.137%0.3724%0.236SC..EExtended strand (participates in β ladder)trans-78.1131.8176.8-162.5-86.6000110.9E15 T19 L20 G21E15-H17 PolarHBondContact O-N 2.85Å; H17-T19 PolarHBondContact CE1-OG1 2.73Å; H17-T19 PolarHBondContact ND1-N 3.5Å; H17-T19 PolarHBondContact ND1-OG1 3.34Å; H17-T19 PolarHBondContact O-N 2.89Å; H17-L20 HydrophobicContact CB-CB 4.14Å; H17-L20 PolarHBondContact O-N 3.16Å; H17-G21 PolarHBondContact N-O 3.36Å; H17-G21 PolarHBondContact O-N 3.02Å
18P56Low69Low53 Ų5339.7 Ų39.734%0.34421%0.209SC..THydrogen-bonded Turntrans-57-28.7-173.9-27.233.8000115.8
19T53.6Low68.5Low116 Ų11642.3 Ų42.371%0.71223%0.227SC*.THydrogen-bonded Turntrans-111.1-19.2-176.946.90000114.8H17H17-T19 PolarHBondContact CE1-OG1 2.73Å; H17-T19 PolarHBondContact ND1-N 3.5Å; H17-T19 PolarHBondContact ND1-OG1 3.34Å; H17-T19 PolarHBondContact O-N 2.89Å
20L53.4Low67.7Low103 Ų10347.8 Ų47.854%0.53925%0.252SS..THydrogen-bonded Turntrans-117.2-3.4-170.6-62.4164.4000112.7H17 K23H17-L20 HydrophobicContact CB-CB 4.14Å; H17-L20 PolarHBondContact O-N 3.16Å; L20-K23 HydrophobicContact CB-CD 4.18Å; L20-K23 VanDerWaalsContact CD1-NZ 3.29Å
21G63.3Low66.9Low17 Ų1756.3 Ų56.318%0.17529%0.292CS..EExtended strand (participates in β ladder)trans77.3-158.3-179.900000113.3H17 K23H17-G21 PolarHBondContact N-O 3.36Å; H17-G21 PolarHBondContact O-N 3.02Å; G21-K23 PolarHBondContact O-N 3.02Å
22P63.8Low65.9Low25 Ų2560.1 Ų60.116%0.16231%0.307CS..EExtended strand (participates in β ladder)trans-62.2123.1178.7-18.630.8000111.4F16 F38 Q42 I46F16-P22 HydrophobicContact CD2-CG 4.13Å; F16-P22 HydrophobicContact CE2-CG 4.17Å; P22-F38 HydrophobicContact CB-CZ 4.32Å; P22-F38 WeakPolarHBondContact O-CZ 3.38Å; P22-Q42 HydrophobicContact CB-CG 3.57Å; P22-Q42 HydrophobicContact CG-CG 3.71Å; P22-Q42 PolarHBondContact O-NE2 3.23Å; P22-I46 HydrophobicContact CB-CD1 3.39Å; P22-I46 HydrophobicContact CB-CG1 3.99Å; P22-I46 HydrophobicContact CG-CB 4.47Å; P22-I46 HydrophobicContact CG-CD1 3.93Å; P22-I46 HydrophobicContact CG-CG1 4.4Å
23K66.6Low65Low94 Ų9460.8 Ų60.841%0.40931%0.311SS..EExtended strand (participates in β ladder)trans-134.6133.1172.2-75.5-172.1166.7-1770111.2S14 E15 L20 G21 T25S14-K23 WeakPolarHBondContact CA-O 3.3Å; S14-K23 PolarHBondContact OG-O 3.13Å; E15-K23 PolarHBondContact N-O 3.46Å; E15-K23 PolarHBondContact O-N 2.92Å; L20-K23 HydrophobicContact CB-CD 4.18Å; L20-K23 VanDerWaalsContact CD1-NZ 3.29Å; G21-K23 PolarHBondContact O-N 3.02Å; K23-T25 PolarHBondContact O-N 3.38Å
24I67.4Low64.1Low46 Ų4663.3 Ų63.324%0.23633%0.329CS..EExtended strand (participates in β ladder)trans-68.8115.5161.7-63.9167.3000106.8F12 Y26 Q27 I33 F38F12-I24 HydrophobicContact CB-CG2 4.3Å; F12-I24 HydrophobicContact CD2-CG1 4.33Å; I24-Y26 WeakPolarHBondContact CG2-O 3.34Å; I24-Q27 HydrophobicContact CG2-CB 4.28Å; I24-I33 HydrophobicContact CD1-CD1 4.27Å; I24-I33 HydrophobicContact CD1-CG2 4.2Å; I24-F38 HydrophobicContact CD1-CB 4.47Å; I24-F38 HydrophobicContact CD1-CD2 3.27Å; I24-F38 HydrophobicContact CD1-CE2 3.66Å; I24-F38 HydrophobicContact CD1-CG 4.05Å; I24-F38 HydrophobicContact CG1-CD2 3.69Å; I24-F38 HydrophobicContact CG1-CE2 3.47Å; I24-F38 VanDerWaalsContact CG1-CE2 3.47Å; I24-F38 HydrophobicContact CG1-CZ 4.29Å
25T65.7Low63.6Low57 Ų5773.5 Ų73.535%0.3537%0.367SS..EExtended strand (participates in β ladder)trans-90.1-33.9178.445.50000111.3F13 E15 K23F13-T25 VanDerWaalsContact CD1-OG1 3.22Å; F13-T25 WeakPolarHBondContact CD1-OG1 3.41Å; F13-T25 PolarHBondContact O-N 3.34Å; F13-T25 PolarHBondContact O-OG1 2.98Å; E15-T25 HydrophobicContact CB-CG2 4.06Å; K23-T25 PolarHBondContact O-N 3.38Å
26Y72.1Confident62.8Low50 Ų5079 Ų7920%0.19639%0.393CS..EExtended strand (participates in β ladder)trans-139.9140.7179.9-60.1-63.9000111.4F12 F13 I24 K126 L129 L130F12-Y26 CarbonylContact C-O 3.56Å; F12-Y26 WeakPolarHBondContact CA-O 3.28Å; F13-Y26 HydrophobicContact CD1-CD2 4.05Å; F13-Y26 PolarHBondContact N-O 2.95Å; F13-Y26 PolarHBondContact O-N 2.91Å; I24-Y26 WeakPolarHBondContact CG2-O 3.34Å; Y26-K126 HydrophobicContact CE2-CB 4.03Å; Y26-K126 WeakPolarHBondContact OH-CB 3.28Å; Y26-L129 HydrophobicContact CD2-CD2 4.32Å; Y26-L130 HydrophobicContact CD1-CD1 3.65Å; Y26-L130 HydrophobicContact CD1-CD2 3.61Å; Y26-L130 HydrophobicContact CD1-CG 3.55Å; Y26-L130 HydrophobicContact CE1-CD1 3.7Å; Y26-L130 HydrophobicContact CE1-CD2 4.48Å; Y26-L130 HydrophobicContact CE1-CG 3.97Å; Y26-L130 HydrophobicContact CG-CD2 3.98Å; Y26-L130 HydrophobicContact CG-CG 4.07Å
27Q75.1Confident62.6Low24 Ų2476.4 Ų76.411%0.11238%0.382CS..EExtended strand (participates in β ladder)trans-142.4135.9175.7-169.6-177.9-7.600109.7F12 I24 P29 I33F12-Q27 HydrophobicContact CB-CG 4.21Å; I24-Q27 HydrophobicContact CG2-CB 4.28Å; Q27-P29 WeakPolarHBondContact CG-O 3.36Å; Q27-I33 VanDerWaalsContact NE2-CG1 3.26Å
28V69.8Low62.7Low17 Ų1774 Ų7410%0.10337%0.37CS..EExtended strand (participates in β ladder)trans-131.3120.7174.5-176.70000109C10 I11 L130 M133 L137C10-V28 VanDerWaalsContact CA-O 3.26Å; C10-V28 WeakPolarHBondContact CA-O 3.23Å; I11-V28 PolarHBondContact N-O 2.62Å; I11-V28 PolarHBondContact O-N 3.42Å; V28-L130 HydrophobicContact CG2-CD2 4.05Å; V28-M133 HydrophobicContact CB-CB 4.4Å; V28-M133 HydrophobicContact CG2-CB 3.86Å; V28-L137 HydrophobicContact CG1-CD2 4.46Å
29P63.6Low63.1Low59 Ų5976.4 Ų76.438%0.38338%0.38SS..SBendcis-64.7154.3-10-22.635.4000114.3E9 C10 Q27E9-P29 VanDerWaalsContact O-CD 3.27Å; E9-P29 WeakPolarHBondContact O-CD 3.42Å; C10-P29 WeakPolarHBondContact SG-CD 3.43Å; Q27-P29 WeakPolarHBondContact CG-O 3.36Å
30E57Low63.4Low172 Ų17275.3 Ų75.380%0.80437%0.374SS*.THydrogen-bonded Turntrans-56.9141.8179-66-174.8163.700111.9Y32E30-Y32 PolarHBondContact O-N 2.95Å; E30-Y32 VanDerWaalsContact O-N 3.08Å
31E58.8Low63.9Low179 Ų17970.6 Ų70.684%0.83635%0.349SS*.THydrogen-bonded Turntrans58.911.3176.3-64.7-165146.800118.2I33E31-I33 PolarHBondContact O-N 3.03Å
32Y58.1Low63.9Low81 Ų8172.6 Ų72.632%0.31835%0.354SS..  trans-70.4-16.3-178.3-173.4-85000114.4E9 C10 E30 K63E9-Y32 HydrophobicContact CB-CE1 4.02Å; E9-Y32 PolarHBondContact OE1-OH 3.07Å; E9-Y32 PolarHBondContact OE2-OH 3.13Å; C10-Y32 HydrophobicContact CB-CD1 4.2Å; C10-Y32 WeakPolarHBondContact SG-CB 3.23Å; C10-Y32 WeakPolarHBondContact SG-CD1 3.34Å; E30-Y32 PolarHBondContact O-N 2.95Å; E30-Y32 VanDerWaalsContact O-N 3.08Å; Y32-K63 HydrophobicContact CE1-CD 4.4Å; Y32-K63 VanDerWaalsContact CZ-NZ 3.32Å; Y32-K63 PolarHBondContact OH-NZ 3.2Å
33I62.1Low63.8Low18 Ų1876.4 Ų76.49%0.09238%0.376CS..SBendtrans-100.4113.5176.1-71.8162.3000106.5F12 I24 Q27 E31 L37 F38 V89F12-I33 HydrophobicContact CB-CD1 3.95Å; F12-I33 HydrophobicContact CD1-CD1 3.6Å; F12-I33 HydrophobicContact CE1-CD1 4.24Å; F12-I33 HydrophobicContact CG-CD1 3.82Å; I24-I33 HydrophobicContact CD1-CD1 4.27Å; I24-I33 HydrophobicContact CD1-CG2 4.2Å; Q27-I33 VanDerWaalsContact NE2-CG1 3.26Å; E31-I33 PolarHBondContact O-N 3.03Å; I33-L37 HydrophobicContact CG2-CB 4.29Å; I33-L37 HydrophobicContact CG2-CD2 4.2Å; I33-F38 HydrophobicContact CG2-CB 4.23Å; I33-V89 HydrophobicContact CD1-CG2 4.06Å; I33-V89 HydrophobicContact CG1-CG2 4.43Å
34S61.4Low63.4Low55 Ų5577.8 Ų77.839%0.38538%0.38SS..  trans-63.9147.417458.20000110.4E36 L37 F38S34-E36 PolarHBondContact O-N 2.73Å; S34-E36 VanDerWaalsContact O-N 3.15Å; S34-L37 PolarHBondContact O-N 2.84Å; S34-L37 WeakPolarHBondContact OG-CB 3.43Å; S34-L37 PolarHBondContact OG-N 2.57Å; S34-F38 PolarHBondContact O-N 3.44Å
35R61.8Low63.1Low213 Ų21375.9 Ų75.980%0.80437%0.37SS*.Hα-helixtrans-55.4-31.8175.5-67.4-178.3-176167.13.3112F38 D39R35-F38 WeakPolarHBondContact O-CB 3.09Å; R35-F38 PolarHBondContact O-N 2.79Å; R35-D39 VanDerWaalsContact O-CG 3.26Å; R35-D39 PolarHBondContact O-N 3.46Å
36E59.7Low62.9Low140 Ų14074.5 Ų74.565%0.65436%0.36SS*.Hα-helixtrans-67-39.9176.2-60.3178176.800113.4S34 F38 T40S34-E36 PolarHBondContact O-N 2.73Å; S34-E36 VanDerWaalsContact O-N 3.15Å; E36-F38 VanDerWaalsContact C-N 3.34Å; E36-T40 PolarHBondContact O-N 3.38Å; E36-T40 PolarHBondContact O-OG1 2.96Å
37L63.8Low62.1Low6 Ų672.7 Ų72.73%0.03135%0.354CS..Hα-helixtrans-69.1-38.4173.6-167.477.6000110I33 S34 T40 V41 A60 M61 L65I33-L37 HydrophobicContact CG2-CB 4.29Å; I33-L37 HydrophobicContact CG2-CD2 4.2Å; S34-L37 PolarHBondContact O-N 2.84Å; S34-L37 WeakPolarHBondContact OG-CB 3.43Å; S34-L37 PolarHBondContact OG-N 2.57Å; L37-T40 PolarHBondContact O-N 3.1Å; L37-V41 HydrophobicContact CG-CG2 4.39Å; L37-V41 WeakPolarHBondContact O-CB 3.38Å; L37-V41 WeakPolarHBondContact O-CG2 3.19Å; L37-V41 PolarHBondContact O-N 3.12Å; L37-A60 HydrophobicContact CD1-CB 3.85Å; L37-M61 HydrophobicContact CD1-CB 4.09Å; L37-M61 HydrophobicContact CD1-CG 4.02Å; L37-M61 HydrophobicContact CD1-SD 3.93Å; L37-L65 HydrophobicContact CD2-CD1 4.42Å
38F63.8Low61.4Low29 Ų2979.3 Ų79.313%0.12738%0.383CS..Hα-helixtrans-62.1-48175.3-177.9-111.4000111.7P22 I24 I33 S34 R35 E36 T40 V41 Q42 I45P22-F38 HydrophobicContact CB-CZ 4.32Å; P22-F38 WeakPolarHBondContact O-CZ 3.38Å; I24-F38 HydrophobicContact CD1-CB 4.47Å; I24-F38 HydrophobicContact CD1-CD2 3.27Å; I24-F38 HydrophobicContact CD1-CE2 3.66Å; I24-F38 HydrophobicContact CD1-CG 4.05Å; I24-F38 HydrophobicContact CG1-CD2 3.69Å; I24-F38 HydrophobicContact CG1-CE2 3.47Å; I24-F38 VanDerWaalsContact CG1-CE2 3.47Å; I24-F38 HydrophobicContact CG1-CZ 4.29Å; I33-F38 HydrophobicContact CG2-CB 4.23Å; S34-F38 PolarHBondContact O-N 3.44Å; R35-F38 WeakPolarHBondContact O-CB 3.09Å; R35-F38 PolarHBondContact O-N 2.79Å; E36-F38 VanDerWaalsContact C-N 3.34Å; F38-T40 VanDerWaalsContact C-N 3.25Å; F38-T40 PolarHBondContact O-N 2.93Å; F38-V41 CarbonylContact O-C 3.56Å; F38-V41 PolarHBondContact O-N 3.48Å; F38-V41 VanDerWaalsContact O-N 3.13Å; F38-Q42 HydrophobicContact CE1-CG 4.1Å; F38-Q42 HydrophobicContact CE2-CG 4.46Å; F38-Q42 HydrophobicContact CZ-CG 3.96Å; F38-Q42 WeakPolarHBondContact O-CA 3.41Å; F38-Q42 VanDerWaalsContact O-CB 3.23Å; F38-Q42 WeakPolarHBondContact O-CB 3.37Å; F38-Q42 PolarHBondContact O-N 3.42Å; F38-I45 HydrophobicContact CD2-CD1 3.78Å; F38-I45 HydrophobicContact CE2-CD1 3.85Å
39D63.3Low60.7Low104 Ų10483.3 Ų83.356%0.55641%0.409SS*.Hα-helixtrans-61.7-34.2-179.5-70.3-16.4000112.3R35R35-D39 VanDerWaalsContact O-CG 3.26Å; R35-D39 PolarHBondContact O-N 3.46Å
40T61.8Low60.4Low93 Ų9388.3 Ų88.357%0.57143%0.428SS*.Hα-helixtrans-73.6-36.1176.7-520000112.4E36 L37 F38E36-T40 PolarHBondContact O-N 3.38Å; E36-T40 PolarHBondContact O-OG1 2.96Å; L37-T40 PolarHBondContact O-N 3.1Å; F38-T40 VanDerWaalsContact C-N 3.25Å; F38-T40 PolarHBondContact O-N 2.93Å
41V63.7Low60.6Low4 Ų484.4 Ų84.42%0.02441%0.411CS..Hα-helixtrans-97.7-9.2-174.4-172.80000111.5L37 F38 V43 Y44 I45 A60 L65L37-V41 HydrophobicContact CG-CG2 4.39Å; L37-V41 WeakPolarHBondContact O-CB 3.38Å; L37-V41 WeakPolarHBondContact O-CG2 3.19Å; L37-V41 PolarHBondContact O-N 3.12Å; F38-V41 CarbonylContact O-C 3.56Å; F38-V41 PolarHBondContact O-N 3.48Å; F38-V41 VanDerWaalsContact O-N 3.13Å; V41-V43 PolarHBondContact O-N 3.37Å; V41-V43 VanDerWaalsContact O-N 3.12Å; V41-Y44 CarbonylContact O-C 3.54Å; V41-Y44 WeakPolarHBondContact O-CA 3.33Å; V41-Y44 PolarHBondContact O-N 3.25Å; V41-I45 HydrophobicContact CB-CD1 4.09Å; V41-I45 HydrophobicContact CB-CG1 4.39Å; V41-I45 HydrophobicContact CG1-CD1 3.84Å; V41-I45 HydrophobicContact CG1-CG1 3.67Å; V41-I45 WeakPolarHBondContact O-CG1 3.15Å; V41-I45 PolarHBondContact O-N 3.03Å; V41-A60 HydrophobicContact CG2-CB 4.11Å; V41-L65 HydrophobicContact CB-CD2 4.37Å; V41-L65 HydrophobicContact CG1-CD2 3.73Å; V41-L65 HydrophobicContact CG2-CD2 4.26Å
42Q63.4Low60.7Low58 Ų5877.5 Ų77.527%0.27138%0.379SS..Hα-helixtrans-53.5-40.6-176.6-165.3-178.220.100112.4P22 F38 Y44 I45 I46P22-Q42 HydrophobicContact CB-CG 3.57Å; P22-Q42 HydrophobicContact CG-CG 3.71Å; P22-Q42 PolarHBondContact O-NE2 3.23Å; F38-Q42 HydrophobicContact CE1-CG 4.1Å; F38-Q42 HydrophobicContact CE2-CG 4.46Å; F38-Q42 HydrophobicContact CZ-CG 3.96Å; F38-Q42 WeakPolarHBondContact O-CA 3.41Å; F38-Q42 VanDerWaalsContact O-CB 3.23Å; F38-Q42 WeakPolarHBondContact O-CB 3.37Å; F38-Q42 PolarHBondContact O-N 3.42Å; Q42-Y44 VanDerWaalsContact C-N 3.27Å; Q42-Y44 PolarHBondContact O-N 3.32Å; Q42-I45 PolarHBondContact O-N 3.41Å; Q42-I46 PolarHBondContact O-N 3.04Å; Q42-I46 VanDerWaalsContact O-N 3.16Å
43V59.9Low61Low106 Ų10678.4 Ų78.464%0.64239%0.39SS*.Hα-helixtrans-65.8-29.6178.3-176.60000112.2V41V41-V43 PolarHBondContact O-N 3.37Å; V41-V43 VanDerWaalsContact O-N 3.12Å
44Y58.7Low61.2Low123 Ų12383.4 Ų83.448%0.48241%0.411SS..Hα-helixtrans-93.9-20.9178.6-62.7-80.8000113V41 Q42 V58V41-Y44 CarbonylContact O-C 3.54Å; V41-Y44 WeakPolarHBondContact O-CA 3.33Å; V41-Y44 PolarHBondContact O-N 3.25Å; Q42-Y44 VanDerWaalsContact C-N 3.27Å; Q42-Y44 PolarHBondContact O-N 3.32Å; Y44-V58 HydrophobicContact CD1-CG2 4.13Å; Y44-V58 HydrophobicContact CG-CG2 3.92Å
45I61Low61.7Low5 Ų583.1 Ų83.13%0.02641%0.405CS..Hα-helixtrans-73.8-35173.6-67.1165.8000109.8F12 S14 F38 V41 Q42 N85F12-I45 HydrophobicContact CE2-CD1 4.08Å; F12-I45 HydrophobicContact CE2-CG1 4.14Å; F12-I45 HydrophobicContact CE2-CG2 4.24Å; F12-I45 HydrophobicContact CZ-CD1 4.35Å; F12-I45 HydrophobicContact CZ-CG1 4.29Å; S14-I45 WeakPolarHBondContact OG-CG2 3.36Å; F38-I45 HydrophobicContact CD2-CD1 3.78Å; F38-I45 HydrophobicContact CE2-CD1 3.85Å; V41-I45 HydrophobicContact CB-CD1 4.09Å; V41-I45 HydrophobicContact CB-CG1 4.39Å; V41-I45 HydrophobicContact CG1-CD1 3.84Å; V41-I45 HydrophobicContact CG1-CG1 3.67Å; V41-I45 WeakPolarHBondContact O-CG1 3.15Å; V41-I45 PolarHBondContact O-N 3.03Å; Q42-I45 PolarHBondContact O-N 3.41Å; I45-N85 WeakPolarHBondContact CA-ND2 3.43Å; I45-N85 HydrophobicContact CG2-CB 4.15Å; I45-N85 WeakPolarHBondContact O-CB 3.47Å; I45-N85 PolarHBondContact O-ND2 3.36Å
46I61.5Low62.3Low29 Ų2974.3 Ų74.315%0.14937%0.373CS..SBendtrans-128.778.3176.3-49.5-167.1000108.7F16 P22 Q42F16-I46 HydrophobicContact CB-CD1 3.84Å; F16-I46 HydrophobicContact CD2-CD1 3.8Å; F16-I46 HydrophobicContact CD2-CG2 3.97Å; F16-I46 HydrophobicContact CG-CD1 4.33Å; P22-I46 HydrophobicContact CB-CD1 3.39Å; P22-I46 HydrophobicContact CB-CG1 3.99Å; P22-I46 HydrophobicContact CG-CB 4.47Å; P22-I46 HydrophobicContact CG-CD1 3.93Å; P22-I46 HydrophobicContact CG-CG1 4.4Å; Q42-I46 PolarHBondContact O-N 3.04Å; Q42-I46 VanDerWaalsContact O-N 3.16Å
47T56.4Low62.9Low12 Ų1270 Ų707%0.07436%0.356CS..  trans-69.4159.5178.649.30000112.5L51 I56T47-L51 HydrophobicContact CG2-CB 4.36Å; T47-L51 HydrophobicContact CG2-CD1 4.28Å; T47-I56 HydrophobicContact CG2-CD1 3.28Å
48K58.8Low63.3Low162 Ų16271 Ų7170%0.70436%0.363SS*.  trans-51.5151.3166.9-69.3-177.1179.6-1800111.2E50 L51K48-E50 PolarHBondContact O-N 3.46Å; K48-L51 PolarHBondContact O-N 2.88Å
49P56.8Low63.7Low102 Ų10274 Ų7466%0.66238%0.384SS*.G310 helixtrans-55.3-21.2-176.917.7-30.6000114.6L51 Q52P49-L51 VanDerWaalsContact C-N 3.28Å; P49-L51 PolarHBondContact O-N 3.3Å; P49-Q52 WeakPolarHBondContact O-CB 3.41Å; P49-Q52 PolarHBondContact O-N 3.45Å
50E56.3Low63.9Low164 Ų16469.7 Ų69.777%0.76636%0.363SS*.G310 helixtrans-68.2-19.8177.4-63.5172.5-173.700114.8K48K48-E50 PolarHBondContact O-N 3.46Å
51L60.7Low63.8Low89 Ų8971.7 Ų71.747%0.46637%0.367SS..G310 helixtrans-110.211.4179.7-67.2171.2000112.9T47 K48 P49 K54T47-L51 HydrophobicContact CG2-CB 4.36Å; T47-L51 HydrophobicContact CG2-CD1 4.28Å; K48-L51 PolarHBondContact O-N 2.88Å; P49-L51 VanDerWaalsContact C-N 3.28Å; P49-L51 PolarHBondContact O-N 3.3Å; L51-K54 HydrophobicContact CD2-CD 4.48Å; L51-K54 PolarHBondContact O-N 3.21Å
52Q60.6Low64Low34 Ų3479.2 Ų79.216%0.15940%0.402CS..THydrogen-bonded Turntrans-68.8146.7-179.9-166.5131.950.100112.3P49 K54 C71P49-Q52 WeakPolarHBondContact O-CB 3.41Å; P49-Q52 PolarHBondContact O-N 3.45Å; Q52-K54 PolarHBondContact O-N 3.43Å; Q52-C71 PolarHBondContact NE2-SG 2.97Å; Q52-C71 VanDerWaalsContact NE2-SG 3.44Å; Q52-C71 PolarHBondContact OE1-SG 3.03Å
53N64.8Low64.4Low100 Ų10078.8 Ų78.854%0.53540%0.399SS..THydrogen-bonded Turntrans59.69.5-174.1-77.8-20000115.5P69N53-P69 PolarHBondContact N-O 2.92Å
54K67.1Low65.1Low123 Ų12375.9 Ų75.954%0.53538%0.378SS..SBendtrans-96.8142.3167.8-67.3-178.1-179.6169.10109.1L51 Q52L51-K54 HydrophobicContact CD2-CD 4.48Å; L51-K54 PolarHBondContact O-N 3.21Å; Q52-K54 PolarHBondContact O-N 3.43Å
55L70.9Confident65.9Low49 Ų4970.3 Ų70.326%0.25736%0.357SS..  trans-71.2131.6172-171.175.3000108.6I66 C68 E100 V103L55-I66 HydrophobicContact CD1-CG2 3.61Å; L55-I66 HydrophobicContact CD2-CG2 4.19Å; L55-I66 HydrophobicContact CG-CG2 4.06Å; L55-C68 HydrophobicContact CD1-CB 4.22Å; L55-E100 HydrophobicContact CD2-CB 3.24Å; L55-E100 HydrophobicContact CD2-CG 3.37Å; L55-V103 HydrophobicContact CD1-CB 4.09Å; L55-V103 HydrophobicContact CD1-CG1 4.27Å
56I74.3Confident66.7Low28 Ų2870.1 Ų70.114%0.14436%0.355CS..EExtended strand (participates in β ladder)trans-115122.1178.1-52.4179.3000107.5T47 V58 I66 G67 P69T47-I56 HydrophobicContact CG2-CD1 3.28Å; I56-V58 HydrophobicContact CG2-CG2 3.74Å; I56-I66 WeakPolarHBondContact O-CA 3.33Å; I56-G67 PolarHBondContact N-O 3.1Å; I56-G67 PolarHBondContact O-N 3.04Å; I56-P69 HydrophobicContact CD1-CG 3.68Å; I56-P69 HydrophobicContact CG1-CG 4.35Å
57T73.1Confident67.4Low49 Ų4969 Ų6930%0.30135%0.351SS..EExtended strand (participates in β ladder)trans-116.8110.4177.5-57.90000107.9K64 L65 I66 E100T57-K64 HydrophobicContact CG2-CD 4.12Å; T57-K64 HydrophobicContact CG2-CG 3.94Å; T57-L65 CarbonylContact C-O 3.56Å; T57-L65 WeakPolarHBondContact CA-O 3.31Å; T57-I66 HydrophobicContact CG2-CG1 4.23Å; T57-E100 PolarHBondContact OG1-OE1 2.91Å
58V72.5Confident68.2Low28 Ų2868.6 Ų68.617%0.1735%0.349CS..EExtended strand (participates in β ladder)trans-114.3129.6-179-175.20000109Y44 I56 L65Y44-V58 HydrophobicContact CD1-CG2 4.13Å; Y44-V58 HydrophobicContact CG-CG2 3.92Å; I56-V58 HydrophobicContact CG2-CG2 3.74Å; V58-L65 PolarHBondContact N-O 3.01Å; V58-L65 PolarHBondContact O-N 2.72Å
59T72.1Confident68.8Low92 Ų9261.1 Ų61.156%0.56432%0.317SS*.EExtended strand (participates in β ladder)trans-98.9118.8169.4-49.80000108.5K63T59-K63 CarbonylContact C-O 3.6Å; T59-K63 WeakPolarHBondContact CA-O 3.25Å
60A68Low69.6Low14 Ų1456.4 Ų56.412%0.11629%0.286CS..EExtended strand (participates in β ladder)trans-138.9132178.700000110L37 V41 E62 K63L37-A60 HydrophobicContact CD1-CB 3.85Å; V41-A60 HydrophobicContact CG2-CB 4.11Å; A60-E62 PolarHBondContact O-N 3.13Å; A60-K63 PolarHBondContact N-O 2.7Å; A60-K63 WeakPolarHBondContact O-CA 3.46Å; A60-K63 WeakPolarHBondContact O-CB 3.44Å; A60-K63 PolarHBondContact O-N 3.26Å
61M59Low70.2Confident134 Ų13449.8 Ų49.866%0.6626%0.258SS*.THydrogen-bonded Turntrans47.353.6176.6-57.7-175.676.700114.3L37 K63L37-M61 HydrophobicContact CD1-CB 4.09Å; L37-M61 HydrophobicContact CD1-CG 4.02Å; L37-M61 HydrophobicContact CD1-SD 3.93Å; M61-K63 PolarHBondContact O-N 3Å
62E68.2Low70.6Confident162 Ų16246 Ų4676%0.75724%0.238SC*.THydrogen-bonded Turntrans59.515.5-178.4-54.5-173155.100114.8A60 A92A60-E62 PolarHBondContact O-N 3.13Å; E62-A92 HydrophobicContact CB-CB 4.47Å; E62-A92 WeakPolarHBondContact O-CB 3.32Å; E62-A92 PolarHBondContact O-N 3.4Å
63K71.3Confident70.8Confident50 Ų5052 Ų5222%0.21727%0.266CS..EExtended strand (participates in β ladder)trans-118.4145.3171.3-66.4180171.7177.50110Y32 T59 A60 M61 L65 V89Y32-K63 HydrophobicContact CE1-CD 4.4Å; Y32-K63 VanDerWaalsContact CZ-NZ 3.32Å; Y32-K63 PolarHBondContact OH-NZ 3.2Å; T59-K63 CarbonylContact C-O 3.6Å; T59-K63 WeakPolarHBondContact CA-O 3.25Å; A60-K63 PolarHBondContact N-O 2.7Å; A60-K63 WeakPolarHBondContact O-CA 3.46Å; A60-K63 WeakPolarHBondContact O-CB 3.44Å; A60-K63 PolarHBondContact O-N 3.26Å; M61-K63 PolarHBondContact O-N 3Å; K63-L65 HydrophobicContact CB-CD1 4.28Å; K63-V89 HydrophobicContact CB-CG1 4.19Å; K63-V89 HydrophobicContact CD-CG1 4.14Å
64K74.5Confident70.7Confident45 Ų4550.7 Ų50.720%0.19626%0.256CS..EExtended strand (participates in β ladder)trans-110.4113.8175.4-163.9161.2174-176.90108.9T57 C90 T96T57-K64 HydrophobicContact CG2-CD 4.12Å; T57-K64 HydrophobicContact CG2-CG 3.94Å; K64-C90 PolarHBondContact N-O 2.89Å; K64-C90 PolarHBondContact O-N 3.39Å; K64-T96 HydrophobicContact CB-CG2 4.09Å; K64-T96 HydrophobicContact CD-CG2 3.58Å; K64-T96 VanDerWaalsContact CD-OG1 3.23Å; K64-T96 WeakPolarHBondContact CD-OG1 3.29Å; K64-T96 WeakPolarHBondContact CE-OG1 3.23Å; K64-T96 HydrophobicContact CG-CG2 3.85Å; K64-T96 PolarHBondContact NZ-OG1 3.23Å
65L75.4Confident70.2Confident6 Ų653.9 Ų53.93%0.03127%0.27CS..EExtended strand (participates in β ladder)trans-96.2124.8177.3-70.782.5000108.4F12 L37 V41 T57 V58 K63 F88 V89F12-L65 HydrophobicContact CE1-CD2 4.14Å; F12-L65 HydrophobicContact CZ-CD2 4.31Å; L37-L65 HydrophobicContact CD2-CD1 4.42Å; V41-L65 HydrophobicContact CB-CD2 4.37Å; V41-L65 HydrophobicContact CG1-CD2 3.73Å; V41-L65 HydrophobicContact CG2-CD2 4.26Å; T57-L65 CarbonylContact C-O 3.56Å; T57-L65 WeakPolarHBondContact CA-O 3.31Å; V58-L65 PolarHBondContact N-O 3.01Å; V58-L65 PolarHBondContact O-N 2.72Å; K63-L65 HydrophobicContact CB-CD1 4.28Å; L65-F88 WeakPolarHBondContact CA-O 3.4Å; L65-V89 HydrophobicContact CG-CG1 4.49Å; L65-V89 HydrophobicContact CG-CG2 4.28Å
66I77.9Confident69.7Low0 Ų059.8 Ų59.80%029%0.294CS..EExtended strand (participates in β ladder)trans-112.5118.5172.9-55.6165.4000106.6L55 I56 T57 G87 F88 T96 L99 V103L55-I66 HydrophobicContact CD1-CG2 3.61Å; L55-I66 HydrophobicContact CD2-CG2 4.19Å; L55-I66 HydrophobicContact CG-CG2 4.06Å; I56-I66 WeakPolarHBondContact O-CA 3.33Å; T57-I66 HydrophobicContact CG2-CG1 4.23Å; I66-G87 CarbonylContact O-C 3.53Å; I66-G87 WeakPolarHBondContact O-CA 3.32Å; I66-F88 PolarHBondContact N-O 3.14Å; I66-F88 PolarHBondContact O-N 3.16Å; I66-T96 HydrophobicContact CD1-CG2 3.69Å; I66-T96 HydrophobicContact CG1-CG2 4.26Å; I66-L99 HydrophobicContact CD1-CB 3.76Å; I66-L99 HydrophobicContact CD1-CD1 4.28Å; I66-V103 HydrophobicContact CB-CG2 4.34Å; I66-V103 HydrophobicContact CG2-CB 4.27Å; I66-V103 HydrophobicContact CG2-CG2 3.7Å
67G76.3Confident69.1Low6 Ų660 Ų606%0.06229%0.293CS..EExtended strand (participates in β ladder)trans-130.5150.3177.700000111.6I56I56-G67 PolarHBondContact N-O 3.1Å; I56-G67 PolarHBondContact O-N 3.04Å
68C72.8Confident67.9Low3 Ų363 Ų632%0.0232%0.316CS..EExtended strand (participates in β ladder)trans-124.298.8170.2-1660000108.9L55 V70 N85 L86 V103 A107L55-C68 HydrophobicContact CD1-CB 4.22Å; C68-V70 PolarHBondContact O-N 2.94Å; C68-N85 PolarHBondContact N-OD1 3.18Å; C68-N85 PolarHBondContact O-OD1 3.49Å; C68-L86 PolarHBondContact N-O 2.78Å; C68-V103 HydrophobicContact CB-CG1 3.96Å; C68-A107 HydrophobicContact CB-CB 3.97Å
69P72.7Confident67Low6 Ų669.8 Ų69.84%0.03934%0.339CS..EExtended strand (participates in β ladder)trans-71.8120.3175.529-33.2000109.8N53 I56 N85N53-P69 PolarHBondContact N-O 2.92Å; I56-P69 HydrophobicContact CD1-CG 3.68Å; I56-P69 HydrophobicContact CG1-CG 4.35Å; P69-N85 HydrophobicContact CB-CB 4.48Å
70V72.1Confident66.4Low3 Ų370.4 Ų70.42%0.01834%0.338CS..EExtended strand (participates in β ladder)trans-105139.9174.9-178.10000107.7C68 I72 F84 A107 T111C68-V70 PolarHBondContact O-N 2.94Å; V70-I72 HydrophobicContact CG1-CG1 4.13Å; V70-F84 HydrophobicContact CB-CD2 4.38Å; V70-F84 HydrophobicContact CB-CE1 4.07Å; V70-F84 HydrophobicContact CB-CE2 3.89Å; V70-F84 HydrophobicContact CB-CZ 3.72Å; V70-F84 HydrophobicContact CG1-CE1 3.95Å; V70-F84 HydrophobicContact CG1-CE2 4.39Å; V70-F84 HydrophobicContact CG1-CZ 3.73Å; V70-F84 HydrophobicContact CG2-CE2 4.05Å; V70-F84 HydrophobicContact CG2-CZ 4.18Å; V70-F84 PolarHBondContact N-O 3.42Å; V70-F84 PolarHBondContact O-N 3.06Å; V70-F84 VanDerWaalsContact O-N 3.1Å; V70-A107 HydrophobicContact CG2-CB 3.68Å; V70-T111 WeakPolarHBondContact CG1-OG1 3.27Å
71C69.9Low66.3Low25 Ų2571.3 Ų71.317%0.16935%0.346CS..EExtended strand (participates in β ladder)trans-122.9149.4150.5870000112.7Q52 L82 L83Q52-C71 PolarHBondContact NE2-SG 2.97Å; Q52-C71 VanDerWaalsContact NE2-SG 3.44Å; Q52-C71 PolarHBondContact OE1-SG 3.03Å; C71-L82 WeakPolarHBondContact CA-O 3.46Å; C71-L82 VanDerWaalsContact CB-O 3.25Å; C71-L82 WeakPolarHBondContact CB-O 3.46Å; C71-L83 HydrophobicContact CB-CD2 3.55Å; C71-L83 HydrophobicContact CB-CG 3.9Å
72I70.1Confident66.8Low10 Ų1065.7 Ų65.75%0.05132%0.319CS..EExtended strand (participates in β ladder)trans-118.6109.8175.3-58.2-179.7000105.3V70 H74 Y77 A81 L82 F84 T111 E114 L115V70-I72 HydrophobicContact CG1-CG1 4.13Å; I72-H74 PolarHBondContact O-N 3.06Å; I72-Y77 HydrophobicContact CG2-CE2 4.26Å; I72-A81 CarbonylContact O-C 3.44Å; I72-A81 VanDerWaalsContact O-CA 3.32Å; I72-A81 WeakPolarHBondContact O-CA 3.2Å; I72-L82 PolarHBondContact N-O 3.36Å; I72-L82 PolarHBondContact O-N 3.35Å; I72-F84 HydrophobicContact CD1-CE1 3.73Å; I72-F84 HydrophobicContact CD1-CZ 4.32Å; I72-F84 HydrophobicContact CG1-CE1 4.14Å; I72-T111 HydrophobicContact CD1-CG2 3.86Å; I72-T111 HydrophobicContact CG1-CG2 4.04Å; I72-E114 HydrophobicContact CD1-CB 3.76Å; I72-E114 HydrophobicContact CD1-CG 3.8Å; I72-L115 HydrophobicContact CG2-CD2 4Å
73E64.2Low67.1Low159 Ų15960.2 Ų60.274%0.74329%0.294SS*.EExtended strand (participates in β ladder)trans-80.7113.2172-62.4-172.8169.200108.8N80 A81E73-N80 CarbonylContact C-O 3.4Å; E73-N80 VanDerWaalsContact CA-O 3.23Å; E73-N80 WeakPolarHBondContact CA-O 3.19Å; E73-A81 HydrophobicContact CG-CB 4.18Å
74H62.6Low67.3Low72 Ų7258 Ų5833%0.33329%0.285SS..  trans-149.3138.6174.8-159.5-80.1000110.9I72 K76 Y77 N80I72-H74 PolarHBondContact O-N 3.06Å; H74-K76 VanDerWaalsContact CE1-CD 3.4Å; H74-K76 WeakPolarHBondContact CE1-CD 3.39Å; H74-K76 VanDerWaalsContact CE1-CG 3.42Å; H74-K76 WeakPolarHBondContact CE1-CG 3.45Å; H74-K76 VanDerWaalsContact ND1-CB 3.34Å; H74-K76 WeakPolarHBondContact ND1-CB 3.32Å; H74-K76 VanDerWaalsContact ND1-CG 3.28Å; H74-K76 WeakPolarHBondContact ND1-CG 2.7Å; H74-K76 PolarHBondContact ND1-N 3.1Å; H74-K76 VanDerWaalsContact ND1-N 3.13Å; H74-K76 PolarHBondContact O-N 2.95Å; H74-Y77 HydrophobicContact CB-CD2 3.65Å; H74-Y77 HydrophobicContact CB-CE2 3.5Å; H74-Y77 VanDerWaalsContact CB-CE2 3.5Å; H74-Y77 WeakPolarHBondContact O-CD2 3.25Å; H74-Y77 PolarHBondContact O-N 3.34Å; H74-Y77 VanDerWaalsContact O-N 3.12Å; H74-N80 PolarHBondContact N-O 3.4Å; H74-N80 CarbonylContact O-C 3.6Å; H74-N80 WeakPolarHBondContact O-CA 3.16Å
75K57.1Low67.3Low190 Ų19056 Ų5683%0.82628%0.276SS*.THydrogen-bonded Turntrans-64.1-3.2178-64.8-177.3178.5179.60114.8Y77K75-Y77 VanDerWaalsContact C-N 3.35Å
76K59.5Low67.5Low173 Ų17356.1 Ų56.175%0.75228%0.277SS*.THydrogen-bonded Turntrans-82.3-17.2176.4-77.3172.4-176.7175.80111.7H74H74-K76 VanDerWaalsContact CE1-CD 3.4Å; H74-K76 WeakPolarHBondContact CE1-CD 3.39Å; H74-K76 VanDerWaalsContact CE1-CG 3.42Å; H74-K76 WeakPolarHBondContact CE1-CG 3.45Å; H74-K76 VanDerWaalsContact ND1-CB 3.34Å; H74-K76 WeakPolarHBondContact ND1-CB 3.32Å; H74-K76 VanDerWaalsContact ND1-CG 3.28Å; H74-K76 WeakPolarHBondContact ND1-CG 2.7Å; H74-K76 PolarHBondContact ND1-N 3.1Å; H74-K76 VanDerWaalsContact ND1-N 3.13Å; H74-K76 PolarHBondContact O-N 2.95Å
77Y61.4Low67.5Low32 Ų3256.1 Ų56.113%0.12528%0.277CS..SBendtrans-96.1148-178-55.9-65000111.5I72 H74 K75 R79 N80 L82 E114 S121I72-Y77 HydrophobicContact CG2-CE2 4.26Å; H74-Y77 HydrophobicContact CB-CD2 3.65Å; H74-Y77 HydrophobicContact CB-CE2 3.5Å; H74-Y77 VanDerWaalsContact CB-CE2 3.5Å; H74-Y77 WeakPolarHBondContact O-CD2 3.25Å; H74-Y77 PolarHBondContact O-N 3.34Å; H74-Y77 VanDerWaalsContact O-N 3.12Å; K75-Y77 VanDerWaalsContact C-N 3.35Å; Y77-R79 PolarHBondContact O-N 2.86Å; Y77-N80 PolarHBondContact O-N 2.8Å; Y77-L82 HydrophobicContact CD1-CB 4.02Å; Y77-L82 HydrophobicContact CD1-CD1 4.09Å; Y77-L82 HydrophobicContact CD2-CB 3.8Å; Y77-L82 HydrophobicContact CE1-CB 4.01Å; Y77-L82 HydrophobicContact CE1-CD1 4.11Å; Y77-L82 HydrophobicContact CE1-CD2 4.1Å; Y77-L82 HydrophobicContact CE1-CG 4.3Å; Y77-L82 HydrophobicContact CE2-CB 3.81Å; Y77-L82 HydrophobicContact CG-CB 3.93Å; Y77-E114 VanDerWaalsContact OH-CD 3.23Å; Y77-E114 WeakPolarHBondContact OH-CG 3.5Å; Y77-E114 PolarHBondContact OH-OE1 3.47Å; Y77-S121 WeakPolarHBondContact CE1-OG 3.42Å
78S47.5Very low67.7Low112 Ų11255.9 Ų55.978%0.78327%0.274SS*.THydrogen-bonded Turntrans-61.7-2.8-173.3-1.50000115.2
79R54.3Low67.8Low172 Ų17255.8 Ų55.865%0.64927%0.273SS*.THydrogen-bonded Turntrans-138.320.5171.5-85.7-167.2172.8-175.31114.3Y77 A81Y77-R79 PolarHBondContact O-N 2.86Å; R79-A81 PolarHBondContact O-N 3.31Å; R79-A81 VanDerWaalsContact O-N 3.1Å
80N60.3Low67.9Low104 Ų10455.5 Ų55.556%0.55627%0.271SS*.SBendtrans62.43.6-172.2-58-38.2000115.4E73 H74 Y77E73-N80 CarbonylContact C-O 3.4Å; E73-N80 VanDerWaalsContact CA-O 3.23Å; E73-N80 WeakPolarHBondContact CA-O 3.19Å; H74-N80 PolarHBondContact N-O 3.4Å; H74-N80 CarbonylContact O-C 3.6Å; H74-N80 WeakPolarHBondContact O-CA 3.16Å; Y77-N80 PolarHBondContact O-N 2.8Å
81A65Low68.1Low34 Ų3458.8 Ų58.828%0.28129%0.289SS..EExtended strand (participates in β ladder)trans-148.8136.6175.600000111.9I72 E73 R79I72-A81 CarbonylContact O-C 3.44Å; I72-A81 VanDerWaalsContact O-CA 3.32Å; I72-A81 WeakPolarHBondContact O-CA 3.2Å; E73-A81 HydrophobicContact CG-CB 4.18Å; R79-A81 PolarHBondContact O-N 3.31Å; R79-A81 VanDerWaalsContact O-N 3.1Å
82L70.2Confident67.6Low16 Ų1659.2 Ų59.28%0.08429%0.294CS..EExtended strand (participates in β ladder)trans-102.6120.8168.9-175.881.9000108.1C71 I72 Y77 F84 E114 I120C71-L82 WeakPolarHBondContact CA-O 3.46Å; C71-L82 VanDerWaalsContact CB-O 3.25Å; C71-L82 WeakPolarHBondContact CB-O 3.46Å; I72-L82 PolarHBondContact N-O 3.36Å; I72-L82 PolarHBondContact O-N 3.35Å; Y77-L82 HydrophobicContact CD1-CB 4.02Å; Y77-L82 HydrophobicContact CD1-CD1 4.09Å; Y77-L82 HydrophobicContact CD2-CB 3.8Å; Y77-L82 HydrophobicContact CE1-CB 4.01Å; Y77-L82 HydrophobicContact CE1-CD1 4.11Å; Y77-L82 HydrophobicContact CE1-CD2 4.1Å; Y77-L82 HydrophobicContact CE1-CG 4.3Å; Y77-L82 HydrophobicContact CE2-CB 3.81Å; Y77-L82 HydrophobicContact CG-CB 3.93Å; L82-F84 HydrophobicContact CD2-CD1 3.89Å; L82-F84 HydrophobicContact CD2-CE1 4.28Å; L82-F84 HydrophobicContact CG-CD1 4.3Å; L82-E114 HydrophobicContact CD2-CG 4.18Å; L82-I120 HydrophobicContact CD2-CB 4.12Å; L82-I120 HydrophobicContact CD2-CD1 4.07Å; L82-I120 HydrophobicContact CD2-CG2 3.95Å
83L73.2Confident67Low46 Ų4666.9 Ų66.924%0.24133%0.33CS..EExtended strand (participates in β ladder)trans-108.8118176.6-72.7147.9000108.4F16 C71F16-L83 HydrophobicContact CB-CB 3.72Å; F16-L83 HydrophobicContact CB-CD1 4.32Å; F16-L83 HydrophobicContact CD1-CD1 4.29Å; F16-L83 HydrophobicContact CG-CD1 4.31Å; F16-L83 PolarHBondContact N-O 3.48Å; C71-L83 HydrophobicContact CB-CD2 3.55Å; C71-L83 HydrophobicContact CB-CG 3.9Å
84F75.4Confident66.9Low5 Ų560 Ų602%0.02230%0.299CS..EExtended strand (participates in β ladder)trans-136.2156.1173.367.5-91.7000110.6F13 S14 V70 I72 L82 L110 I120F13-F84 HydrophobicContact CE2-CB 4.05Å; F13-F84 AromaticContact CE2-CD2 3.67Å; F13-F84 HydrophobicContact CE2-CD2 3.67Å; F13-F84 HydrophobicContact CE2-CE2 4.49Å; F13-F84 HydrophobicContact CE2-CG 4.13Å; F13-F84 HydrophobicContact CZ-CB 3.83Å; F13-F84 HydrophobicContact CZ-CD2 4.17Å; F13-F84 HydrophobicContact CZ-CG 4.17Å; S14-F84 CarbonylContact O-C 3.55Å; S14-F84 VanDerWaalsContact O-CA 3.32Å; S14-F84 WeakPolarHBondContact O-CA 3.35Å; V70-F84 HydrophobicContact CB-CD2 4.38Å; V70-F84 HydrophobicContact CB-CE1 4.07Å; V70-F84 HydrophobicContact CB-CE2 3.89Å; V70-F84 HydrophobicContact CB-CZ 3.72Å; V70-F84 HydrophobicContact CG1-CE1 3.95Å; V70-F84 HydrophobicContact CG1-CE2 4.39Å; V70-F84 HydrophobicContact CG1-CZ 3.73Å; V70-F84 HydrophobicContact CG2-CE2 4.05Å; V70-F84 HydrophobicContact CG2-CZ 4.18Å; V70-F84 PolarHBondContact N-O 3.42Å; V70-F84 PolarHBondContact O-N 3.06Å; V70-F84 VanDerWaalsContact O-N 3.1Å; I72-F84 HydrophobicContact CD1-CE1 3.73Å; I72-F84 HydrophobicContact CD1-CZ 4.32Å; I72-F84 HydrophobicContact CG1-CE1 4.14Å; L82-F84 HydrophobicContact CD2-CD1 3.89Å; L82-F84 HydrophobicContact CD2-CE1 4.28Å; L82-F84 HydrophobicContact CG-CD1 4.3Å; F84-L110 HydrophobicContact CE2-CB 3.96Å; F84-L110 HydrophobicContact CE2-CD1 4.25Å; F84-L110 HydrophobicContact CZ-CB 4.12Å; F84-I120 HydrophobicContact CD1-CD1 3.69Å; F84-I120 HydrophobicContact CD2-CD1 4.37Å; F84-I120 HydrophobicContact CE1-CD1 3.55Å; F84-I120 HydrophobicContact CE2-CD1 4.26Å; F84-I120 HydrophobicContact CG-CD1 4.1Å; F84-I120 HydrophobicContact CZ-CD1 3.85Å
85N76.4Confident66.8Low3 Ų361.6 Ų61.62%0.01631%0.31CS..EExtended strand (participates in β ladder)trans-136.5129.4177-174.25.8000109.3S14 I45 C68 P69S14-N85 PolarHBondContact N-O 3.46Å; S14-N85 PolarHBondContact O-N 3.11Å; I45-N85 WeakPolarHBondContact CA-ND2 3.43Å; I45-N85 HydrophobicContact CG2-CB 4.15Å; I45-N85 WeakPolarHBondContact O-CB 3.47Å; I45-N85 PolarHBondContact O-ND2 3.36Å; C68-N85 PolarHBondContact N-OD1 3.18Å; C68-N85 PolarHBondContact O-OD1 3.49Å; P69-N85 HydrophobicContact CB-CB 4.48Å
86L77.7Confident67.1Low8 Ų852.7 Ų52.74%0.04227%0.271CS..EExtended strand (participates in β ladder)trans-104.9124.5167.5-171.5150.4000108.1I11 F13 C68 F88 L106 L110I11-L86 HydrophobicContact CG2-CD2 4.21Å; F13-L86 HydrophobicContact CD2-CB 4.34Å; C68-L86 PolarHBondContact N-O 2.78Å; L86-F88 HydrophobicContact CD2-CD2 3.84Å; L86-F88 HydrophobicContact CD2-CE2 3.35Å; L86-F88 HydrophobicContact CD2-CZ 4.22Å; L86-L106 HydrophobicContact CD2-CD1 4.44Å; L86-L110 HydrophobicContact CB-CD1 4.29Å; L86-L110 HydrophobicContact CD1-CD1 3.51Å
87G78.6Confident67.4Low0 Ų047.1 Ų47.10%025%0.253CS..EExtended strand (participates in β ladder)trans-125.8145.8-178.200000113.4I11 F12 I66I11-G87 WeakPolarHBondContact CA-O 3.27Å; F12-G87 WeakPolarHBondContact CD1-O 3.42Å; F12-G87 PolarHBondContact N-O 2.92Å; F12-G87 PolarHBondContact O-N 3.12Å; I66-G87 CarbonylContact O-C 3.53Å; I66-G87 WeakPolarHBondContact O-CA 3.32Å
88F80.1Confident67.7Low1 Ų146.1 Ų46.10%0.00425%0.252CS..EExtended strand (participates in β ladder)trans-106.5138.6170.5-73.4-101.7000109I8 I11 L65 I66 L86 V103 L106 L140I8-F88 HydrophobicContact CD1-CD1 3.88Å; I8-F88 HydrophobicContact CD1-CE1 3.94Å; I8-F88 HydrophobicContact CG1-CD1 4.33Å; I8-F88 HydrophobicContact CG2-CD1 3.75Å; I8-F88 HydrophobicContact CG2-CE1 4.43Å; I11-F88 HydrophobicContact CD1-CD1 4.14Å; I11-F88 HydrophobicContact CD1-CE1 3.48Å; I11-F88 VanDerWaalsContact CD1-CE1 3.48Å; I11-F88 HydrophobicContact CD1-CZ 4.05Å; I11-F88 HydrophobicContact CG1-CD1 3.8Å; I11-F88 HydrophobicContact CG1-CE1 3.68Å; I11-F88 HydrophobicContact CG1-CZ 4.4Å; I11-F88 HydrophobicContact CG2-CE1 4.38Å; I11-F88 HydrophobicContact CG2-CZ 4.35Å; L65-F88 WeakPolarHBondContact CA-O 3.4Å; I66-F88 PolarHBondContact N-O 3.14Å; I66-F88 PolarHBondContact O-N 3.16Å; L86-F88 HydrophobicContact CD2-CD2 3.84Å; L86-F88 HydrophobicContact CD2-CE2 3.35Å; L86-F88 HydrophobicContact CD2-CZ 4.22Å; F88-V103 HydrophobicContact CB-CG2 4.43Å; F88-V103 HydrophobicContact CD2-CB 4.18Å; F88-V103 HydrophobicContact CD2-CG1 4.11Å; F88-V103 HydrophobicContact CD2-CG2 3.27Å; F88-V103 HydrophobicContact CE2-CB 4.34Å; F88-V103 HydrophobicContact CE2-CG1 4.38Å; F88-V103 HydrophobicContact CE2-CG2 3.73Å; F88-V103 HydrophobicContact CG-CG2 4.06Å; F88-L106 HydrophobicContact CE2-CD1 3.71Å; F88-L106 HydrophobicContact CZ-CD1 3.52Å; F88-L140 HydrophobicContact CE1-CD1 4.03Å; F88-L140 HydrophobicContact CZ-CD1 4.48Å
89V76.3Confident68.9Low0 Ų040.9 Ų40.90%022%0.215CC..EExtended strand (participates in β ladder)trans-111.1127172.4-169.70000108.1E9 C10 F12 I33 K63 L65E9-V89 PolarHBondContact N-O 2.91Å; C10-V89 HydrophobicContact CB-CB 3.93Å; C10-V89 HydrophobicContact CB-CG2 3.96Å; C10-V89 PolarHBondContact N-O 3.47Å; C10-V89 PolarHBondContact O-N 2.86Å; F12-V89 HydrophobicContact CD1-CG2 3.75Å; F12-V89 HydrophobicContact CE1-CG2 3.83Å; I33-V89 HydrophobicContact CD1-CG2 4.06Å; I33-V89 HydrophobicContact CG1-CG2 4.43Å; K63-V89 HydrophobicContact CB-CG1 4.19Å; K63-V89 HydrophobicContact CD-CG1 4.14Å; L65-V89 HydrophobicContact CG-CG1 4.49Å; L65-V89 HydrophobicContact CG-CG2 4.28Å
90C74.6Confident69.9Low0 Ų035.8 Ų35.80%020%0.198CC..EExtended strand (participates in β ladder)trans-129.6158.9175.7-61.90000109.7K64 T94 T96 L99K64-C90 PolarHBondContact N-O 2.89Å; K64-C90 PolarHBondContact O-N 3.39Å; C90-T94 HydrophobicContact CB-CG2 4.26Å; C90-T96 HydrophobicContact CB-CG2 4.18Å; C90-L99 WeakPolarHBondContact SG-CD1 3.47Å
91D75.4Confident70.8Confident72 Ų7234.7 Ų34.739%0.38520%0.197SC..EExtended strand (participates in β ladder)trans-64.5146.6173.3-177.216000110.9Q93 T94D91-Q93 PolarHBondContact O-N 2.88Å; D91-Q93 VanDerWaalsContact O-N 3.16Å; D91-T94 WeakPolarHBondContact O-CB 3.14Å; D91-T94 PolarHBondContact O-N 3.39Å; D91-T94 PolarHBondContact O-OG1 3.23Å
92A60.4Low71.6Confident34 Ų3433.5 Ų33.528%0.28119%0.186SC..THydrogen-bonded Turntrans-61.5-25.4-172.600000114.6E62 T94E62-A92 HydrophobicContact CB-CB 4.47Å; E62-A92 WeakPolarHBondContact O-CB 3.32Å; E62-A92 PolarHBondContact O-N 3.4Å; A92-T94 PolarHBondContact O-N 3.4Å
93Q57.1Low72Confident171 Ų17132.7 Ų32.780%0.79918%0.182SC*.THydrogen-bonded Turntrans-83.1-2.4178.8-61.2-62.4-27.500113.4D91D91-Q93 PolarHBondContact O-N 2.88Å; D91-Q93 VanDerWaalsContact O-N 3.16Å
94T61.4Low72.4Confident15 Ų1536.8 Ų36.89%0.09220%0.198CC..SBendtrans-82.9136.2-171.2-520000111.6T5 T6 C90 D91 A92 T96T5-T94 WeakPolarHBondContact O-CG2 3.27Å; T6-T94 HydrophobicContact CG2-CG2 4.16Å; C90-T94 HydrophobicContact CB-CG2 4.26Å; D91-T94 WeakPolarHBondContact O-CB 3.14Å; D91-T94 PolarHBondContact O-N 3.39Å; D91-T94 PolarHBondContact O-OG1 3.23Å; A92-T94 PolarHBondContact O-N 3.4Å; T94-T96 VanDerWaalsContact C-N 3.33Å; T94-T96 PolarHBondContact O-N 3.17Å; T94-T96 PolarHBondContact O-OG1 3.18Å
95N61.8Low72.8Confident105 Ų10541.1 Ų41.156%0.56122%0.217SC*.  trans-69.190.4174.4-77.8-34.3000110.7T5 T6 C97T5-N95 PolarHBondContact O-N 3.5Å; T6-N95 HydrophobicContact CG2-CB 4.25Å; T6-N95 VanDerWaalsContact CG2-O 3.25Å; T6-N95 WeakPolarHBondContact CG2-O 3.4Å; N95-C97 VanDerWaalsContact C-N 3.34Å; N95-C97 PolarHBondContact O-N 3.33Å
96T63.3Low73Confident3 Ų341.1 Ų41.12%0.01822%0.217CC..G310 helixtrans-77.3-16.6-174.530.90000113.7K64 I66 C90 T94 A98 L99 E100K64-T96 HydrophobicContact CB-CG2 4.09Å; K64-T96 HydrophobicContact CD-CG2 3.58Å; K64-T96 VanDerWaalsContact CD-OG1 3.23Å; K64-T96 WeakPolarHBondContact CD-OG1 3.29Å; K64-T96 WeakPolarHBondContact CE-OG1 3.23Å; K64-T96 HydrophobicContact CG-CG2 3.85Å; K64-T96 PolarHBondContact NZ-OG1 3.23Å; I66-T96 HydrophobicContact CD1-CG2 3.69Å; I66-T96 HydrophobicContact CG1-CG2 4.26Å; C90-T96 HydrophobicContact CB-CG2 4.18Å; T94-T96 VanDerWaalsContact C-N 3.33Å; T94-T96 PolarHBondContact O-N 3.17Å; T94-T96 PolarHBondContact O-OG1 3.18Å; T96-A98 PolarHBondContact O-N 2.85Å; T96-A98 VanDerWaalsContact O-N 3.17Å; T96-L99 PolarHBondContact O-N 2.8Å; T96-E100 WeakPolarHBondContact O-CG 3.41Å; T96-E100 PolarHBondContact O-N 2.93Å
97C64.2Low73.1Confident56 Ų5641 Ų4138%0.37822%0.216SC..G310 helixtrans-58.6-29.7178.9-52.40000113.3N95 L99N95-C97 VanDerWaalsContact C-N 3.34Å; N95-C97 PolarHBondContact O-N 3.33Å; C97-L99 VanDerWaalsContact C-N 3.31Å; C97-L99 PolarHBondContact O-N 2.95Å
98A68.3Low73.3Confident11 Ų1142.6 Ų42.69%0.09123%0.233CC..G310 helixtrans-73.2-22.5177.700000113.3T96 L160 I161T96-A98 PolarHBondContact O-N 2.85Å; T96-A98 VanDerWaalsContact O-N 3.17Å; A98-L160 HydrophobicContact CB-CD1 3.78Å; A98-L160 HydrophobicContact CB-CG 4.43Å; A98-I161 WeakPolarHBondContact CB-O 3.33Å
99L72.1Confident73.4Confident3 Ų345.3 Ų45.32%0.01624%0.244CC..THydrogen-bonded Turntrans-91.1-24.1-176.9-64.6170.8000112.2I8 I66 C90 T96 C97 I102 V103 L160I8-L99 HydrophobicContact CD1-CD2 3.88Å; I8-L99 HydrophobicContact CG1-CD1 4.18Å; I8-L99 HydrophobicContact CG1-CD2 4.16Å; I66-L99 HydrophobicContact CD1-CB 3.76Å; I66-L99 HydrophobicContact CD1-CD1 4.28Å; C90-L99 WeakPolarHBondContact SG-CD1 3.47Å; T96-L99 PolarHBondContact O-N 2.8Å; C97-L99 VanDerWaalsContact C-N 3.31Å; C97-L99 PolarHBondContact O-N 2.95Å; L99-I102 HydrophobicContact CD2-CD1 4.18Å; L99-I102 WeakPolarHBondContact O-CB 3.22Å; L99-I102 PolarHBondContact O-N 3.39Å; L99-V103 WeakPolarHBondContact O-CG2 3.29Å; L99-V103 PolarHBondContact O-N 3.39Å; L99-L160 HydrophobicContact CD2-CD1 3.77Å; L99-L160 HydrophobicContact CG-CD1 4.44Å
100E75.4Confident73.5Confident64 Ų6445.9 Ų45.930%0.29925%0.247SC..Hα-helixtrans-50.1-48.5179.5-62.1-162.8161.800113.9L55 T57 T96 I102 K104L55-E100 HydrophobicContact CD2-CB 3.24Å; L55-E100 HydrophobicContact CD2-CG 3.37Å; T57-E100 PolarHBondContact OG1-OE1 2.91Å; T96-E100 WeakPolarHBondContact O-CG 3.41Å; T96-E100 PolarHBondContact O-N 2.93Å; E100-I102 VanDerWaalsContact C-N 3.31Å; E100-I102 PolarHBondContact O-N 2.92Å; E100-K104 PolarHBondContact O-N 3.03Å
101P79.9Confident73.7Confident82 Ų8247.5 Ų47.553%0.53226%0.257SS..Hα-helixtrans-70.1-29.8178.8-16.533.1000112.4K105P101-K105 VanDerWaalsContact O-CB 3.29Å; P101-K105 WeakPolarHBondContact O-CB 3.36Å; P101-K105 PolarHBondContact O-N 3.04Å
102I80.8Confident74.1Confident8 Ų846.8 Ų46.84%0.04126%0.255CS..Hα-helixtrans-66.9-48.9179.1-66.3169.6000109.8L99 E100 K104 K105 L106 L158 L160L99-I102 HydrophobicContact CD2-CD1 4.18Å; L99-I102 WeakPolarHBondContact O-CB 3.22Å; L99-I102 PolarHBondContact O-N 3.39Å; E100-I102 VanDerWaalsContact C-N 3.31Å; E100-I102 PolarHBondContact O-N 2.92Å; I102-K104 VanDerWaalsContact C-N 3.3Å; I102-K104 PolarHBondContact O-N 3.37Å; I102-K105 PolarHBondContact O-N 3.48Å; I102-L106 HydrophobicContact CG2-CD1 4.07Å; I102-L106 WeakPolarHBondContact O-CB 3.32Å; I102-L106 WeakPolarHBondContact O-CG 3.34Å; I102-L106 PolarHBondContact O-N 3.46Å; I102-L158 HydrophobicContact CG2-CD1 4Å; I102-L158 HydrophobicContact CG2-CD2 4.23Å; I102-L158 HydrophobicContact CG2-CG 4.47Å; I102-L160 HydrophobicContact CD1-CB 4.29Å; I102-L160 HydrophobicContact CD1-CD1 3.62Å
103V79.9Confident74.9Confident0 Ų045.3 Ų45.30%024%0.243CC..Hα-helixtrans-60.3-43.4178.5-170.80000110.5L55 I66 C68 F88 L99 L106 A107L55-V103 HydrophobicContact CD1-CB 4.09Å; L55-V103 HydrophobicContact CD1-CG1 4.27Å; I66-V103 HydrophobicContact CB-CG2 4.34Å; I66-V103 HydrophobicContact CG2-CB 4.27Å; I66-V103 HydrophobicContact CG2-CG2 3.7Å; C68-V103 HydrophobicContact CB-CG1 3.96Å; F88-V103 HydrophobicContact CB-CG2 4.43Å; F88-V103 HydrophobicContact CD2-CB 4.18Å; F88-V103 HydrophobicContact CD2-CG1 4.11Å; F88-V103 HydrophobicContact CD2-CG2 3.27Å; F88-V103 HydrophobicContact CE2-CB 4.34Å; F88-V103 HydrophobicContact CE2-CG1 4.38Å; F88-V103 HydrophobicContact CE2-CG2 3.73Å; F88-V103 HydrophobicContact CG-CG2 4.06Å; L99-V103 WeakPolarHBondContact O-CG2 3.29Å; L99-V103 PolarHBondContact O-N 3.39Å; V103-L106 PolarHBondContact O-N 2.89Å; V103-A107 WeakPolarHBondContact O-CB 3.4Å; V103-A107 PolarHBondContact O-N 3.45Å
104K82Confident75.9Confident132 Ų13237.4 Ų37.457%0.57421%0.205SC*.Hα-helixtrans-64.3-41.5177.9-169.6175.9-175.8178.90112.5E100 I102 A107 G108E100-K104 PolarHBondContact O-N 3.03Å; I102-K104 VanDerWaalsContact C-N 3.3Å; I102-K104 PolarHBondContact O-N 3.37Å; K104-A107 PolarHBondContact O-N 3.39Å; K104-G108 PolarHBondContact O-N 3Å
105K83.1Confident76.6Confident96 Ų9641.9 Ų41.942%0.41723%0.228SC..Hα-helixtrans-66.8-41.3177.7-161.8-175.4-176.5-167.50111.2P101 I102 G108 Y109 Q157 L158P101-K105 VanDerWaalsContact O-CB 3.29Å; P101-K105 WeakPolarHBondContact O-CB 3.36Å; P101-K105 PolarHBondContact O-N 3.04Å; I102-K105 PolarHBondContact O-N 3.48Å; K105-G108 PolarHBondContact O-N 2.93Å; K105-Y109 HydrophobicContact CD-CE2 3.82Å; K105-Y109 VanDerWaalsContact CE-OH 3.25Å; K105-Y109 WeakPolarHBondContact CE-OH 3.28Å; K105-Y109 HydrophobicContact CG-CD2 4.03Å; K105-Y109 HydrophobicContact CG-CE2 3.61Å; K105-Y109 PolarHBondContact NZ-OH 3.23Å; K105-Y109 WeakPolarHBondContact O-CD2 3.32Å; K105-Y109 PolarHBondContact O-N 2.97Å; K105-Q157 PolarHBondContact NZ-O 2.82Å; K105-L158 HydrophobicContact CD-CD2 4.26Å
106L80.4Confident77.4Confident3 Ų343 Ų432%0.01623%0.23CC..Hα-helixtrans-62.1-44.7174.2-82.1175.7000112.5L86 F88 I102 V103 G108 Y109 L110 L136 I156 L158L86-L106 HydrophobicContact CD2-CD1 4.44Å; F88-L106 HydrophobicContact CE2-CD1 3.71Å; F88-L106 HydrophobicContact CZ-CD1 3.52Å; I102-L106 HydrophobicContact CG2-CD1 4.07Å; I102-L106 WeakPolarHBondContact O-CB 3.32Å; I102-L106 WeakPolarHBondContact O-CG 3.34Å; I102-L106 PolarHBondContact O-N 3.46Å; V103-L106 PolarHBondContact O-N 2.89Å; L106-G108 VanDerWaalsContact C-N 3.28Å; L106-G108 PolarHBondContact O-N 3.34Å; L106-Y109 PolarHBondContact O-N 2.83Å; L106-L110 WeakPolarHBondContact O-CG 3.49Å; L106-L110 PolarHBondContact O-N 2.85Å; L106-L136 HydrophobicContact CD1-CD1 4.43Å; L106-L136 HydrophobicContact CD2-CD1 4.41Å; L106-I156 HydrophobicContact CD2-CD1 4.05Å; L106-I156 HydrophobicContact CD2-CG2 3.83Å; L106-L158 HydrophobicContact CD1-CD1 3.87Å; L106-L158 HydrophobicContact CD2-CD1 3.74Å; L106-L158 HydrophobicContact CD2-CD2 4.12Å; L106-L158 HydrophobicContact CD2-CG 4.43Å; L106-L158 HydrophobicContact CG-CD1 3.83Å; L106-L158 HydrophobicContact CG-CD2 3.99Å
107A80.8Confident77.5Confident4 Ų444.5 Ų44.53%0.03324%0.241CC..Hα-helixtrans-58.1-42.3173.800000111.5C68 V70 V103 K104 L110 T111C68-A107 HydrophobicContact CB-CB 3.97Å; V70-A107 HydrophobicContact CG2-CB 3.68Å; V103-A107 WeakPolarHBondContact O-CB 3.4Å; V103-A107 PolarHBondContact O-N 3.45Å; K104-A107 PolarHBondContact O-N 3.39Å; A107-L110 PolarHBondContact O-N 3.35Å; A107-T111 PolarHBondContact O-N 2.89Å; A107-T111 PolarHBondContact O-OG1 3.46Å
108G81.2Confident77.8Confident35 Ų3542.6 Ų42.636%0.36123%0.231SC..Hα-helixtrans-59.7-49172.500000113.1K104 K105 L106 L110 T111 T112K104-G108 PolarHBondContact O-N 3Å; K105-G108 PolarHBondContact O-N 2.93Å; L106-G108 VanDerWaalsContact C-N 3.28Å; L106-G108 PolarHBondContact O-N 3.34Å; G108-L110 PolarHBondContact O-N 3.43Å; G108-T111 WeakPolarHBondContact O-CB 3.13Å; G108-T111 PolarHBondContact O-N 3.32Å; G108-T111 VanDerWaalsContact O-N 3.13Å; G108-T112 PolarHBondContact O-N 2.98Å; G108-T112 PolarHBondContact O-OG1 2.95Å
109Y82.7Confident77.6Confident58 Ų5842.9 Ų42.923%0.22723%0.23CC..Hα-helixtrans-61.6-41177.3-77.4-60.5000112.9K105 L106 T111 T112 L113 I156K105-Y109 HydrophobicContact CD-CE2 3.82Å; K105-Y109 VanDerWaalsContact CE-OH 3.25Å; K105-Y109 WeakPolarHBondContact CE-OH 3.28Å; K105-Y109 HydrophobicContact CG-CD2 4.03Å; K105-Y109 HydrophobicContact CG-CE2 3.61Å; K105-Y109 PolarHBondContact NZ-OH 3.23Å; K105-Y109 WeakPolarHBondContact O-CD2 3.32Å; K105-Y109 PolarHBondContact O-N 2.97Å; L106-Y109 PolarHBondContact O-N 2.83Å; Y109-T111 VanDerWaalsContact C-N 3.26Å; Y109-T111 PolarHBondContact O-N 2.8Å; Y109-T112 PolarHBondContact O-N 2.81Å; Y109-T112 PolarHBondContact O-OG1 3.4Å; Y109-L113 WeakPolarHBondContact O-CB 3.13Å; Y109-L113 VanDerWaalsContact O-CG 3.23Å; Y109-L113 WeakPolarHBondContact O-CG 3.48Å; Y109-L113 PolarHBondContact O-N 3.01Å; Y109-I156 HydrophobicContact CD1-CG1 4.49Å; Y109-I156 HydrophobicContact CD2-CB 4.49Å; Y109-I156 HydrophobicContact CD2-CG1 4.26Å; Y109-I156 HydrophobicContact CD2-CG2 3.89Å; Y109-I156 HydrophobicContact CE2-CG2 4.02Å; Y109-I156 HydrophobicContact CG-CD1 4.38Å; Y109-I156 HydrophobicContact CG-CG1 4.12Å
110L78.6Confident77.4Confident12 Ų1243 Ų436%0.06323%0.23CC..Hα-helixtrans-65.3-33.9175.4-72.3175.2000111.8F13 F84 L86 L106 A107 G108 L113 E114 L129F13-L110 HydrophobicContact CE2-CD1 4.49Å; F84-L110 HydrophobicContact CE2-CB 3.96Å; F84-L110 HydrophobicContact CE2-CD1 4.25Å; F84-L110 HydrophobicContact CZ-CB 4.12Å; L86-L110 HydrophobicContact CB-CD1 4.29Å; L86-L110 HydrophobicContact CD1-CD1 3.51Å; L106-L110 WeakPolarHBondContact O-CG 3.49Å; L106-L110 PolarHBondContact O-N 2.85Å; A107-L110 PolarHBondContact O-N 3.35Å; G108-L110 PolarHBondContact O-N 3.43Å; L110-L113 HydrophobicContact CD2-CD1 4.43Å; L110-E114 WeakPolarHBondContact O-CB 3.13Å; L110-E114 PolarHBondContact O-N 3.3Å; L110-L129 HydrophobicContact CD2-CD1 4.38Å
111T79.5Confident76.7Confident34 Ų3443.3 Ų43.321%0.20924%0.24CC..Hα-helixtrans-64.8-46.7175-52.60000111.3V70 I72 A107 G108 Y109 E114 L115V70-T111 WeakPolarHBondContact CG1-OG1 3.27Å; I72-T111 HydrophobicContact CD1-CG2 3.86Å; I72-T111 HydrophobicContact CG1-CG2 4.04Å; A107-T111 PolarHBondContact O-N 2.89Å; A107-T111 PolarHBondContact O-OG1 3.46Å; G108-T111 WeakPolarHBondContact O-CB 3.13Å; G108-T111 PolarHBondContact O-N 3.32Å; G108-T111 VanDerWaalsContact O-N 3.13Å; Y109-T111 VanDerWaalsContact C-N 3.26Å; Y109-T111 PolarHBondContact O-N 2.8Å; T111-E114 PolarHBondContact O-N 3.14Å; T111-L115 HydrophobicContact CG2-CD1 4.41Å; T111-L115 WeakPolarHBondContact O-CG 3.48Å; T111-L115 PolarHBondContact O-N 2.76Å; T111-L115 VanDerWaalsContact O-N 3.13Å
112T82.3Confident76.2Confident56 Ų5645 Ų4534%0.34424%0.239SC..Hα-helixtrans-66.4-42.6178.155.10000111.4G108 Y109 E114 L115 E116G108-T112 PolarHBondContact O-N 2.98Å; G108-T112 PolarHBondContact O-OG1 2.95Å; Y109-T112 PolarHBondContact O-N 2.81Å; Y109-T112 PolarHBondContact O-OG1 3.4Å; T112-E114 VanDerWaalsContact C-N 3.28Å; T112-E114 PolarHBondContact O-N 3.4Å; T112-L115 PolarHBondContact O-N 3.19Å; T112-E116 WeakPolarHBondContact O-CG 3.49Å; T112-E116 PolarHBondContact O-N 2.93Å
113L78.7Confident75.5Confident4 Ų452.2 Ų52.22%0.02127%0.272CS..Hα-helixtrans-59-39.5175.9-76.5168.4000112.1Y109 L110 S117 F119 I150 N154Y109-L113 WeakPolarHBondContact O-CB 3.13Å; Y109-L113 VanDerWaalsContact O-CG 3.23Å; Y109-L113 WeakPolarHBondContact O-CG 3.48Å; Y109-L113 PolarHBondContact O-N 3.01Å; L110-L113 HydrophobicContact CD2-CD1 4.43Å; L113-S117 PolarHBondContact O-N 3.41Å; L113-S117 PolarHBondContact O-OG 3.33Å; L113-F119 HydrophobicContact CB-CB 4.39Å; L113-I150 HydrophobicContact CD1-CD1 3.89Å; L113-N154 HydrophobicContact CD2-CB 3.84Å; L113-N154 WeakPolarHBondContact CD2-ND2 3.49Å
114E78.2Confident74.7Confident4 Ų459.8 Ų59.82%0.01931%0.308CS..Hα-helixtrans-68.9-41.1178-176.358.1-168.200112.6I72 Y77 L82 L110 T111 T112 E116 G118 F119 I120 S121I72-E114 HydrophobicContact CD1-CB 3.76Å; I72-E114 HydrophobicContact CD1-CG 3.8Å; Y77-E114 VanDerWaalsContact OH-CD 3.23Å; Y77-E114 WeakPolarHBondContact OH-CG 3.5Å; Y77-E114 PolarHBondContact OH-OE1 3.47Å; L82-E114 HydrophobicContact CD2-CG 4.18Å; L110-E114 WeakPolarHBondContact O-CB 3.13Å; L110-E114 PolarHBondContact O-N 3.3Å; T111-E114 PolarHBondContact O-N 3.14Å; T112-E114 VanDerWaalsContact C-N 3.28Å; T112-E114 PolarHBondContact O-N 3.4Å; E114-E116 VanDerWaalsContact C-N 3.35Å; E114-E116 PolarHBondContact O-N 3.25Å; E114-G118 VanDerWaalsContact O-CA 3.3Å; E114-G118 WeakPolarHBondContact O-CA 3.4Å; E114-G118 PolarHBondContact O-N 3.45Å; E114-F119 PolarHBondContact OE2-N 3.43Å; E114-I120 HydrophobicContact CB-CD1 4.13Å; E114-I120 HydrophobicContact CB-CG1 4.47Å; E114-I120 HydrophobicContact CG-CD1 4.24Å; E114-I120 WeakPolarHBondContact OE2-CA 3.2Å; E114-I120 WeakPolarHBondContact OE2-CB 3.47Å; E114-I120 WeakPolarHBondContact OE2-CG1 3.31Å; E114-I120 PolarHBondContact OE2-N 3.01Å; E114-S121 PolarHBondContact OE1-N 2.95Å; E114-S121 PolarHBondContact OE1-OG 3.07Å
115L75.9Confident74Confident109 Ų10954.4 Ų54.457%0.57129%0.287SS*.Hα-helixtrans-66-37.4178.2-69.6173000112.4I72 T111 T112I72-L115 HydrophobicContact CG2-CD2 4Å; T111-L115 HydrophobicContact CG2-CD1 4.41Å; T111-L115 WeakPolarHBondContact O-CG 3.48Å; T111-L115 PolarHBondContact O-N 2.76Å; T111-L115 VanDerWaalsContact O-N 3.13Å; T112-L115 PolarHBondContact O-N 3.19Å
116E77.4Confident73.2Confident129 Ų12951.7 Ų51.760%0.60328%0.275SS*.Hα-helixtrans-82.9-50.4-176.5-70.3175.7175.900112.9T112 E114 N154T112-E116 WeakPolarHBondContact O-CG 3.49Å; T112-E116 PolarHBondContact O-N 2.93Å; E114-E116 VanDerWaalsContact C-N 3.35Å; E114-E116 PolarHBondContact O-N 3.25Å; E116-N154 PolarHBondContact OE2-ND2 3.03Å
117S66.4Low72.7Confident34 Ų3458 Ų5824%0.23830%0.304CS..Hα-helixtrans-111.8-11-167.967.50000114.4L113 F119 K122L113-S117 PolarHBondContact O-N 3.41Å; L113-S117 PolarHBondContact O-OG 3.33Å; S117-F119 VanDerWaalsContact C-N 3.32Å; S117-K122 PolarHBondContact O-NZ 2.62Å; S117-K122 VanDerWaalsContact O-NZ 3.11Å
118G69.4Low72.4Confident17 Ų1763.9 Ų63.918%0.17533%0.329CS..  trans60.741.5-171.700000111.9E114 I120 S121 K122E114-G118 VanDerWaalsContact O-CA 3.3Å; E114-G118 WeakPolarHBondContact O-CA 3.4Å; E114-G118 PolarHBondContact O-N 3.45Å; G118-I120 PolarHBondContact O-N 3.03Å; G118-S121 WeakPolarHBondContact O-CB 3.46Å; G118-S121 PolarHBondContact O-N 2.88Å; G118-K122 PolarHBondContact O-N 3.47Å
119F65.9Low72Confident16 Ų1662.7 Ų62.77%0.0731%0.314CS..THydrogen-bonded Turntrans-59.8-38.7-171.1-163.9-96.2000114.4L113 E114 S117 S125 K128 L129 I132 I150L113-F119 HydrophobicContact CB-CB 4.39Å; E114-F119 PolarHBondContact OE2-N 3.43Å; S117-F119 VanDerWaalsContact C-N 3.32Å; F119-S125 WeakPolarHBondContact CE1-O 3.34Å; F119-S125 VanDerWaalsContact CZ-O 3.31Å; F119-S125 WeakPolarHBondContact CZ-O 3.37Å; F119-S125 WeakPolarHBondContact O-CB 3.49Å; F119-K128 HydrophobicContact CZ-CB 4.11Å; F119-L129 HydrophobicContact CE1-CB 4.43Å; F119-L129 HydrophobicContact CE1-CD1 4.42Å; F119-I132 HydrophobicContact CZ-CD1 4.45Å; F119-I150 HydrophobicContact CE2-CG2 4.01Å; F119-I150 HydrophobicContact CZ-CG2 4.19Å
120I66.4Low71.7Confident5 Ų562.5 Ų62.53%0.02632%0.317CS..THydrogen-bonded Turntrans-81.4-21.7174.9-48.8170.8000110.3F13 L82 F84 E114 G118 K126F13-I120 HydrophobicContact CZ-CD1 4.49Å; F13-I120 HydrophobicContact CZ-CG2 4.38Å; L82-I120 HydrophobicContact CD2-CB 4.12Å; L82-I120 HydrophobicContact CD2-CD1 4.07Å; L82-I120 HydrophobicContact CD2-CG2 3.95Å; F84-I120 HydrophobicContact CD1-CD1 3.69Å; F84-I120 HydrophobicContact CD2-CD1 4.37Å; F84-I120 HydrophobicContact CE1-CD1 3.55Å; F84-I120 HydrophobicContact CE2-CD1 4.26Å; F84-I120 HydrophobicContact CG-CD1 4.1Å; F84-I120 HydrophobicContact CZ-CD1 3.85Å; E114-I120 HydrophobicContact CB-CD1 4.13Å; E114-I120 HydrophobicContact CB-CG1 4.47Å; E114-I120 HydrophobicContact CG-CD1 4.24Å; E114-I120 WeakPolarHBondContact OE2-CA 3.2Å; E114-I120 WeakPolarHBondContact OE2-CB 3.47Å; E114-I120 WeakPolarHBondContact OE2-CG1 3.31Å; E114-I120 PolarHBondContact OE2-N 3.01Å; G118-I120 PolarHBondContact O-N 3.03Å; I120-K126 WeakPolarHBondContact O-CE 3.43Å
121S61.8Low71.8Confident71 Ų7165.7 Ų65.750%0.49734%0.338SS..THydrogen-bonded Turntrans-76.2-23.4175.1-620000113.5Y77 E114 G118Y77-S121 WeakPolarHBondContact CE1-OG 3.42Å; E114-S121 PolarHBondContact OE1-N 2.95Å; E114-S121 PolarHBondContact OE1-OG 3.07Å; G118-S121 WeakPolarHBondContact O-CB 3.46Å; G118-S121 PolarHBondContact O-N 2.88Å
122K69.8Low71.8Confident117 Ų11765.5 Ų65.551%0.50934%0.336SS..  trans-101.2121.7-177.5-68.2172.9-176.2160.40111.7S117 G118 E124 S125 K126S117-K122 PolarHBondContact O-NZ 2.62Å; S117-K122 VanDerWaalsContact O-NZ 3.11Å; G118-K122 PolarHBondContact O-N 3.47Å; K122-E124 VanDerWaalsContact C-N 3.32Å; K122-E124 PolarHBondContact O-N 2.82Å; K122-S125 WeakPolarHBondContact O-CB 3.46Å; K122-S125 PolarHBondContact O-N 2.91Å; K122-K126 PolarHBondContact O-N 3.1Å
123E64.4Low71.6Confident160 Ų16062.9 Ų62.975%0.74832%0.32SS*.Hα-helixtrans-60.5-34.7-179.8-70.3-178.216600113.8S125 K126 Q127E123-S125 VanDerWaalsContact C-N 3.28Å; E123-S125 PolarHBondContact O-N 3.18Å; E123-K126 WeakPolarHBondContact O-CB 3.4Å; E123-K126 PolarHBondContact O-N 2.95Å; E123-Q127 PolarHBondContact O-N 3.06Å
124E63.1Low71.7Confident159 Ų15964.7 Ų64.774%0.74333%0.333SS*.Hα-helixtrans-65.8-32.1175-65.1-179168.700112.7K122K122-E124 VanDerWaalsContact C-N 3.32Å; K122-E124 PolarHBondContact O-N 2.82Å
125S67.4Low71.8Confident19 Ų1967 Ų6713%0.13335%0.347CS..Hα-helixtrans-79.3-32.9178.6-56.10000110.8F119 K122 E123 Q127 K128 L129F119-S125 WeakPolarHBondContact CE1-O 3.34Å; F119-S125 VanDerWaalsContact CZ-O 3.31Å; F119-S125 WeakPolarHBondContact CZ-O 3.37Å; F119-S125 WeakPolarHBondContact O-CB 3.49Å; K122-S125 WeakPolarHBondContact O-CB 3.46Å; K122-S125 PolarHBondContact O-N 2.91Å; E123-S125 VanDerWaalsContact C-N 3.28Å; E123-S125 PolarHBondContact O-N 3.18Å; S125-Q127 VanDerWaalsContact C-N 3.28Å; S125-Q127 PolarHBondContact O-N 3.15Å; S125-K128 WeakPolarHBondContact O-CB 3.44Å; S125-K128 PolarHBondContact O-N 3.02Å; S125-K128 VanDerWaalsContact O-N 3.11Å; S125-L129 PolarHBondContact O-N 3.45Å
126K68Low72.1Confident39 Ų3962 Ų6217%0.1732%0.321CS..Hα-helixtrans-58.8-37.4169.6-67.8-167.5-177.2-168.10112.5E15 Y26 I120 K122 E123 K128 L129E15-K126 IonicContact OE1-NZ 3.39Å; E15-K126 PolarHBondContact OE1-NZ 3.34Å; E15-K126 IonicContact OE2-NZ 2.7Å; E15-K126 PolarHBondContact OE2-NZ 3.44Å; Y26-K126 HydrophobicContact CE2-CB 4.03Å; Y26-K126 WeakPolarHBondContact OH-CB 3.28Å; I120-K126 WeakPolarHBondContact O-CE 3.43Å; K122-K126 PolarHBondContact O-N 3.1Å; E123-K126 WeakPolarHBondContact O-CB 3.4Å; E123-K126 PolarHBondContact O-N 2.95Å; K126-K128 VanDerWaalsContact C-N 3.31Å; K126-K128 PolarHBondContact O-N 3.26Å; K126-L129 VanDerWaalsContact O-CB 3.23Å; K126-L129 WeakPolarHBondContact O-CB 3.49Å; K126-L129 PolarHBondContact O-N 3.2Å; K126-L129 VanDerWaalsContact O-N 3.16Å
127Q68.6Low72.3Confident135 Ų13557 Ų5763%0.63130%0.298SS*.Hα-helixtrans-65.9-31.2175.9-69.6-176.9-2.700113E123 S125 L129 L130 P131E123-Q127 PolarHBondContact O-N 3.06Å; S125-Q127 VanDerWaalsContact C-N 3.28Å; S125-Q127 PolarHBondContact O-N 3.15Å; Q127-L129 PolarHBondContact O-N 3.39Å; Q127-L130 PolarHBondContact O-N 3.31Å; Q127-P131 WeakPolarHBondContact O-CD 3.13Å
128K73.7Confident72.9Confident129 Ų12961.7 Ų61.756%0.56132%0.316SS*.Hα-helixtrans-69.2-19.6174.8-66.1-178.5179-179.20113.1F119 S125 K126 L130 P131 I132F119-K128 HydrophobicContact CZ-CB 4.11Å; S125-K128 WeakPolarHBondContact O-CB 3.44Å; S125-K128 PolarHBondContact O-N 3.02Å; S125-K128 VanDerWaalsContact O-N 3.11Å; K126-K128 VanDerWaalsContact C-N 3.31Å; K126-K128 PolarHBondContact O-N 3.26Å; K128-L130 VanDerWaalsContact C-N 3.32Å; K128-L130 PolarHBondContact O-N 2.97Å; K128-P131 WeakPolarHBondContact O-CD 3.39Å; K128-I132 VanDerWaalsContact O-CD1 3.32Å; K128-I132 WeakPolarHBondContact O-CD1 3.39Å; K128-I132 VanDerWaalsContact O-CG1 3.27Å; K128-I132 WeakPolarHBondContact O-CG1 3.4Å; K128-I132 PolarHBondContact O-N 2.85Å
129L74.6Confident73.5Confident9 Ų963.5 Ų63.55%0.04732%0.322CS..Hα-helixtrans-68.2-31.5178.8-163.4143.7000112F13 Y26 L110 F119 S125 K126 Q127 I132 M133F13-L129 HydrophobicContact CB-CD2 4.11Å; F13-L129 HydrophobicContact CE2-CD1 4.49Å; F13-L129 HydrophobicContact CG-CD2 4.15Å; Y26-L129 HydrophobicContact CD2-CD2 4.32Å; L110-L129 HydrophobicContact CD2-CD1 4.38Å; F119-L129 HydrophobicContact CE1-CB 4.43Å; F119-L129 HydrophobicContact CE1-CD1 4.42Å; S125-L129 PolarHBondContact O-N 3.45Å; K126-L129 VanDerWaalsContact O-CB 3.23Å; K126-L129 WeakPolarHBondContact O-CB 3.49Å; K126-L129 PolarHBondContact O-N 3.2Å; K126-L129 VanDerWaalsContact O-N 3.16Å; Q127-L129 PolarHBondContact O-N 3.39Å; L129-I132 PolarHBondContact O-N 3.44Å; L129-M133 HydrophobicContact CD2-CG 3.83Å; L129-M133 HydrophobicContact CD2-SD 3.27Å; L129-M133 WeakPolarHBondContact CD2-SD 3.32Å; L129-M133 VanDerWaalsContact O-CG 3.29Å; L129-M133 WeakPolarHBondContact O-CG 3.33Å; L129-M133 PolarHBondContact O-N 3.19Å
130L76.4Confident74Confident54 Ų5463.2 Ų63.228%0.28332%0.321SS..Hα-helixtrans-62.4-54.7177.2-81169.6000112.8Y26 V28 Q127 K128 I132 M133 S134Y26-L130 HydrophobicContact CD1-CD1 3.65Å; Y26-L130 HydrophobicContact CD1-CD2 3.61Å; Y26-L130 HydrophobicContact CD1-CG 3.55Å; Y26-L130 HydrophobicContact CE1-CD1 3.7Å; Y26-L130 HydrophobicContact CE1-CD2 4.48Å; Y26-L130 HydrophobicContact CE1-CG 3.97Å; Y26-L130 HydrophobicContact CG-CD2 3.98Å; Y26-L130 HydrophobicContact CG-CG 4.07Å; V28-L130 HydrophobicContact CG2-CD2 4.05Å; Q127-L130 PolarHBondContact O-N 3.31Å; K128-L130 VanDerWaalsContact C-N 3.32Å; K128-L130 PolarHBondContact O-N 2.97Å; L130-I132 VanDerWaalsContact C-N 3.26Å; L130-I132 PolarHBondContact O-N 3.16Å; L130-M133 PolarHBondContact O-N 2.85Å; L130-M133 VanDerWaalsContact O-N 3.14Å; L130-S134 PolarHBondContact O-N 2.81Å; L130-S134 PolarHBondContact O-OG 2.79Å
131P79.5Confident74.6Confident79 Ų7965.5 Ų65.551%0.51333%0.334SS..Hα-helixtrans-56.1-37.5172.6-26.531.9000113.9Q127 K128 S134 T135Q127-P131 WeakPolarHBondContact O-CD 3.13Å; K128-P131 WeakPolarHBondContact O-CD 3.39Å; P131-S134 PolarHBondContact O-N 3.4Å; P131-T135 WeakPolarHBondContact O-CB 3.46Å; P131-T135 WeakPolarHBondContact O-CG2 3.38Å; P131-T135 PolarHBondContact O-N 3.12Å; P131-T135 PolarHBondContact O-OG1 2.99Å
132I80.8Confident75.3Confident30 Ų3066 Ų6615%0.15434%0.342CS..Hα-helixtrans-63.7-43.8176.8-67.4165.2000110.2F119 K128 L129 L130 T135 L136 L148 I150F119-I132 HydrophobicContact CZ-CD1 4.45Å; K128-I132 VanDerWaalsContact O-CD1 3.32Å; K128-I132 WeakPolarHBondContact O-CD1 3.39Å; K128-I132 VanDerWaalsContact O-CG1 3.27Å; K128-I132 WeakPolarHBondContact O-CG1 3.4Å; K128-I132 PolarHBondContact O-N 2.85Å; L129-I132 PolarHBondContact O-N 3.44Å; L130-I132 VanDerWaalsContact C-N 3.26Å; L130-I132 PolarHBondContact O-N 3.16Å; I132-T135 WeakPolarHBondContact CA-OG1 3.38Å; I132-T135 PolarHBondContact O-OG1 3.38Å; I132-L136 HydrophobicContact CG2-CD1 3.85Å; I132-L136 HydrophobicContact CG2-CG 4.34Å; I132-L136 VanDerWaalsContact O-CB 3.27Å; I132-L136 WeakPolarHBondContact O-CB 3.38Å; I132-L136 WeakPolarHBondContact O-CD1 3.46Å; I132-L136 WeakPolarHBondContact O-CG 3.33Å; I132-L136 PolarHBondContact O-N 3.26Å; I132-L148 HydrophobicContact CG2-CD1 4.08Å; I132-I150 HydrophobicContact CD1-CD1 3.88Å; I132-I150 HydrophobicContact CD1-CG1 3.86Å; I132-I150 HydrophobicContact CD1-CG2 4.09Å
133M77.1Confident75.2Confident2 Ų265.3 Ų65.31%0.0135%0.348CS..Hα-helixtrans-65.1-40.7176.8-69.7173.588.500112.4I11 F13 V28 L129 L130 L136 L137I11-M133 HydrophobicContact CB-CE 3.76Å; I11-M133 HydrophobicContact CG2-CE 3.41Å; I11-M133 VanDerWaalsContact CG2-CE 3.41Å; I11-M133 HydrophobicContact CG2-CG 4.46Å; I11-M133 VanDerWaalsContact O-CE 3.28Å; I11-M133 WeakPolarHBondContact O-CE 3.43Å; F13-M133 HydrophobicContact CB-CE 4.1Å; F13-M133 HydrophobicContact CB-SD 4.26Å; V28-M133 HydrophobicContact CB-CB 4.4Å; V28-M133 HydrophobicContact CG2-CB 3.86Å; L129-M133 HydrophobicContact CD2-CG 3.83Å; L129-M133 HydrophobicContact CD2-SD 3.27Å; L129-M133 WeakPolarHBondContact CD2-SD 3.32Å; L129-M133 VanDerWaalsContact O-CG 3.29Å; L129-M133 WeakPolarHBondContact O-CG 3.33Å; L129-M133 PolarHBondContact O-N 3.19Å; L130-M133 PolarHBondContact O-N 2.85Å; L130-M133 VanDerWaalsContact O-N 3.14Å; M133-L136 PolarHBondContact O-N 3.29Å; M133-L137 WeakPolarHBondContact O-CB 3.33Å; M133-L137 PolarHBondContact O-N 3.35Å
134S80.7Confident75.4Confident42 Ų4258.3 Ų58.329%0.29432%0.319SS..Hα-helixtrans-64.4-47177.4-59.60000112L130 P131 L137 E138L130-S134 PolarHBondContact O-N 2.81Å; L130-S134 PolarHBondContact O-OG 2.79Å; P131-S134 PolarHBondContact O-N 3.4Å; S134-L137 WeakPolarHBondContact O-CB 3.24Å; S134-L137 PolarHBondContact O-N 2.83Å; S134-E138 PolarHBondContact O-N 3.33Å
135T81.2Confident76Confident51 Ų5152.9 Ų52.931%0.31330%0.301SS..Hα-helixtrans-64.3-40.2176.448.80000111.8P131 I132 L137 E138 D139P131-T135 WeakPolarHBondContact O-CB 3.46Å; P131-T135 WeakPolarHBondContact O-CG2 3.38Å; P131-T135 PolarHBondContact O-N 3.12Å; P131-T135 PolarHBondContact O-OG1 2.99Å; I132-T135 WeakPolarHBondContact CA-OG1 3.38Å; I132-T135 PolarHBondContact O-OG1 3.38Å; T135-L137 VanDerWaalsContact C-N 3.33Å; T135-L137 PolarHBondContact O-N 3.49Å; T135-E138 PolarHBondContact O-N 3.48Å; T135-D139 VanDerWaalsContact O-CB 3.28Å; T135-D139 WeakPolarHBondContact O-CB 3.32Å; T135-D139 PolarHBondContact O-N 3.48Å
136L81.5Confident76.1Confident5 Ų552 Ų523%0.02630%0.295CS..Hα-helixtrans-58.4-44171.9-77.8169.8000112.1I11 L106 I132 M133 L140 C146 L148 L158I11-L136 HydrophobicContact CD1-CB 4.02Å; L106-L136 HydrophobicContact CD1-CD1 4.43Å; L106-L136 HydrophobicContact CD2-CD1 4.41Å; I132-L136 HydrophobicContact CG2-CD1 3.85Å; I132-L136 HydrophobicContact CG2-CG 4.34Å; I132-L136 VanDerWaalsContact O-CB 3.27Å; I132-L136 WeakPolarHBondContact O-CB 3.38Å; I132-L136 WeakPolarHBondContact O-CD1 3.46Å; I132-L136 WeakPolarHBondContact O-CG 3.33Å; I132-L136 PolarHBondContact O-N 3.26Å; M133-L136 PolarHBondContact O-N 3.29Å; L136-L140 WeakPolarHBondContact O-CB 3.46Å; L136-L140 WeakPolarHBondContact O-CD1 3.36Å; L136-L140 WeakPolarHBondContact O-CG 3.1Å; L136-L140 PolarHBondContact O-N 3.5Å; L136-C146 HydrophobicContact CD2-CB 4.2Å; L136-L148 HydrophobicContact CD1-CD1 4.44Å; L136-L148 HydrophobicContact CD2-CD1 3.65Å; L136-L148 HydrophobicContact CG-CD1 3.55Å; L136-L158 HydrophobicContact CD2-CD1 3.39Å
137L80.8Confident76.6Confident24 Ų2455 Ų5513%0.12632%0.316CS..Hα-helixtrans-63.5-45.3179.4-171.189.7000111I8 I11 V28 M133 S134 T135 N141I8-L137 HydrophobicContact CB-CD1 4.26Å; I8-L137 HydrophobicContact CG2-CD1 3.71Å; I11-L137 HydrophobicContact CD1-CB 4.21Å; I11-L137 HydrophobicContact CD1-CD1 4.27Å; I11-L137 HydrophobicContact CG1-CD1 3.94Å; V28-L137 HydrophobicContact CG1-CD2 4.46Å; M133-L137 WeakPolarHBondContact O-CB 3.33Å; M133-L137 PolarHBondContact O-N 3.35Å; S134-L137 WeakPolarHBondContact O-CB 3.24Å; S134-L137 PolarHBondContact O-N 2.83Å; T135-L137 VanDerWaalsContact C-N 3.33Å; T135-L137 PolarHBondContact O-N 3.49Å; L137-N141 VanDerWaalsContact O-CB 3.24Å; L137-N141 WeakPolarHBondContact O-CB 3.48Å; L137-N141 VanDerWaalsContact O-CG 3.25Å; L137-N141 PolarHBondContact O-N 3.3Å; L137-N141 PolarHBondContact O-ND2 3.15Å
138E80.9Confident76.9Confident132 Ų13249.6 Ų49.662%0.61729%0.291SS*.Hα-helixtrans-68.1-49.8-180-71.7178.8-177.700111.7S134 T135 N141 A142S134-E138 PolarHBondContact O-N 3.33Å; T135-E138 PolarHBondContact O-N 3.48Å; E138-N141 PolarHBondContact O-N 3.22Å; E138-A142 WeakPolarHBondContact O-CB 3.12Å; E138-A142 PolarHBondContact O-N 3Å
139D81.2Confident77Confident56 Ų5648.2 Ų48.230%0.29930%0.296SS..Hα-helixtrans-67.3-41.3-176.7-75.6-14.7000112.5T135 N141 A142 T143 G144 C146T135-D139 VanDerWaalsContact O-CB 3.28Å; T135-D139 WeakPolarHBondContact O-CB 3.32Å; T135-D139 PolarHBondContact O-N 3.48Å; D139-N141 VanDerWaalsContact C-N 3.32Å; D139-N141 PolarHBondContact O-N 2.86Å; D139-A142 PolarHBondContact O-N 3.39Å; D139-T143 PolarHBondContact O-N 2.97Å; D139-T143 PolarHBondContact O-OG1 3.2Å; D139-G144 PolarHBondContact O-N 2.85Å; D139-G144 VanDerWaalsContact O-N 3.15Å; D139-C146 HydrophobicContact CB-CB 3.91Å; D139-C146 PolarHBondContact OD2-SG 3.39Å
140L77Confident76.7Confident9 Ų949.3 Ų49.35%0.04730%0.301CS..Hα-helixtrans-66.9-35.9177.1-70.4174.2000111.6I8 F88 L136 G144 C146I8-L140 HydrophobicContact CD1-CB 3.8Å; I8-L140 HydrophobicContact CD1-CD1 3.68Å; I8-L140 HydrophobicContact CD1-CG 4.38Å; F88-L140 HydrophobicContact CE1-CD1 4.03Å; F88-L140 HydrophobicContact CZ-CD1 4.48Å; L136-L140 WeakPolarHBondContact O-CB 3.46Å; L136-L140 WeakPolarHBondContact O-CD1 3.36Å; L136-L140 WeakPolarHBondContact O-CG 3.1Å; L136-L140 PolarHBondContact O-N 3.5Å; L140-G144 WeakPolarHBondContact O-CA 3.15Å; L140-G144 PolarHBondContact O-N 3.31Å; L140-C146 HydrophobicContact CD2-CB 4.39Å
141N78.2Confident76.4Confident54 Ų5450.7 Ų50.729%0.28931%0.309SS..Hα-helixtrans-76.2-31.6176.2-76.8-35.3000112.7I8 L137 E138 D139I8-N141 PolarHBondContact N-OD1 2.83Å; I8-N141 PolarHBondContact O-ND2 3.01Å; L137-N141 VanDerWaalsContact O-CB 3.24Å; L137-N141 WeakPolarHBondContact O-CB 3.48Å; L137-N141 VanDerWaalsContact O-CG 3.25Å; L137-N141 PolarHBondContact O-N 3.3Å; L137-N141 PolarHBondContact O-ND2 3.15Å; E138-N141 PolarHBondContact O-N 3.22Å; D139-N141 VanDerWaalsContact C-N 3.32Å; D139-N141 PolarHBondContact O-N 2.86Å
142A77.4Confident75.7Confident82 Ų8254.9 Ų54.968%0.67833%0.327SS*.Hα-helixtrans-86.8-46.7-176.500000113.5E138 D139E138-A142 WeakPolarHBondContact O-CB 3.12Å; E138-A142 PolarHBondContact O-N 3Å; D139-A142 PolarHBondContact O-N 3.39Å
143T66.4Low75.1Confident102 Ų10258.5 Ų58.563%0.62636%0.355SS*.THydrogen-bonded Turntrans-120.7-18.8-170.869.80000113.3D139 A145D139-T143 PolarHBondContact O-N 2.97Å; D139-T143 PolarHBondContact O-OG1 3.2Å; T143-A145 PolarHBondContact O-N 3Å; T143-A145 PolarHBondContact OG1-N 2.91Å; T143-A145 PolarHBondContact OG1-O 3.31Å
144G69.4Low74.8Confident13 Ų1359.9 Ų59.913%0.13436%0.362CS..SBendtrans68.39.8-174.500000113.4D139 L140 L160D139-G144 PolarHBondContact O-N 2.85Å; D139-G144 VanDerWaalsContact O-N 3.15Å; L140-G144 WeakPolarHBondContact O-CA 3.15Å; L140-G144 PolarHBondContact O-N 3.31Å; G144-L160 WeakPolarHBondContact O-CB 3.46Å; G144-L160 PolarHBondContact O-N 3.33Å
145A74.3Confident74.7Confident44 Ų4461.5 Ų61.536%0.36437%0.371SS..EExtended strand (participates in β ladder)trans-135.3140171.800000108.8T143 L158T143-A145 PolarHBondContact O-N 3Å; T143-A145 PolarHBondContact OG1-N 2.91Å; T143-A145 PolarHBondContact OG1-O 3.31Å; A145-L158 CarbonylContact C-O 3.51Å; A145-L158 WeakPolarHBondContact CA-O 3.14Å
146C71.4Confident74.6Confident2 Ų259.4 Ų59.41%0.01436%0.357CS..EExtended strand (participates in β ladder)trans-138.2126.6-178.1-170.40000109.3L136 D139 L140 L148 Q157 L158L136-C146 HydrophobicContact CD2-CB 4.2Å; D139-C146 HydrophobicContact CB-CB 3.91Å; D139-C146 PolarHBondContact OD2-SG 3.39Å; L140-C146 HydrophobicContact CD2-CB 4.39Å; C146-L148 VanDerWaalsContact SG-CD1 3.54Å; C146-L148 WeakPolarHBondContact SG-CG 3.26Å; C146-Q157 CarbonylContact O-C 3.55Å; C146-Q157 WeakPolarHBondContact O-CA 3.15Å; C146-L158 HydrophobicContact CB-CB 4.39Å; C146-L158 PolarHBondContact N-O 2.94Å; C146-L158 PolarHBondContact O-N 2.91Å
147T77.3Confident74.5Confident100 Ų10064.4 Ų64.461%0.61338%0.381SS*.EExtended strand (participates in β ladder)trans-122101.3175.953.60000108.2I156 Q157T147-I156 CarbonylContact C-O 3.4Å; T147-I156 WeakPolarHBondContact CA-O 3.3Å; T147-Q157 HydrophobicContact CG2-CG 4.2Å
148L75.9Confident74.3Confident22 Ų2263.5 Ų63.512%0.11538%0.376CS..EExtended strand (participates in β ladder)trans-113.8113.3-177.4-66.1173.2000110.6I132 L136 C146 I150 T155 I156I132-L148 HydrophobicContact CG2-CD1 4.08Å; L136-L148 HydrophobicContact CD1-CD1 4.44Å; L136-L148 HydrophobicContact CD2-CD1 3.65Å; L136-L148 HydrophobicContact CG-CD1 3.55Å; C146-L148 VanDerWaalsContact SG-CD1 3.54Å; C146-L148 WeakPolarHBondContact SG-CG 3.26Å; L148-I150 PolarHBondContact O-N 2.98Å; L148-T155 CarbonylContact O-C 3.48Å; L148-T155 WeakPolarHBondContact O-CA 3.34Å; L148-I156 PolarHBondContact N-O 3.49Å; L148-I156 PolarHBondContact O-N 3.32Å
149P74.3Confident74.1Confident100 Ų10064.6 Ų64.665%0.64938%0.379SS*.EExtended strand (participates in β ladder)trans-75.4118.8165.630.6-30.1000109.1T155P149-T155 HydrophobicContact CB-CG2 4.13Å
150I70Confident73.6Confident32 Ų3263.5 Ų63.516%0.16437%0.373CS..EExtended strand (participates in β ladder)trans-96.8-34.4177-62179.5000110.6L113 F119 I132 L148 N154 I156L113-I150 HydrophobicContact CD1-CD1 3.89Å; F119-I150 HydrophobicContact CE2-CG2 4.01Å; F119-I150 HydrophobicContact CZ-CG2 4.19Å; I132-I150 HydrophobicContact CD1-CD1 3.88Å; I132-I150 HydrophobicContact CD1-CG1 3.86Å; I132-I150 HydrophobicContact CD1-CG2 4.09Å; L148-I150 PolarHBondContact O-N 2.98Å; I150-N154 PolarHBondContact N-O 2.85Å; I150-I156 HydrophobicContact CD1-CD1 3.24Å; I150-I156 HydrophobicContact CD1-CG1 3.63Å; I150-I156 HydrophobicContact CG1-CD1 4.38Å; I150-I156 HydrophobicContact CG1-CG1 4.36Å
151D69.4Low73.3Confident84 Ų8469 Ų6945%0.44940%0.401SS..EExtended strand (participates in β ladder)trans-146.8170-179-154.7-3.8000110.6S153 N154D151-S153 PolarHBondContact O-N 2.96Å; D151-N154 HydrophobicContact CB-CB 4.32Å; D151-N154 PolarHBondContact N-O 3.33Å; D151-N154 PolarHBondContact O-N 3.33Å; D151-N154 VanDerWaalsContact O-N 3.16Å
152D64.7Low72.7Confident167 Ų16771.4 Ų71.489%0.89341%0.41SS*.THydrogen-bonded Turntrans-57.2-22.8178.9-71.8-26.1000112.7
153S67.2Low72Confident105 Ų10573.9 Ų73.973%0.73441%0.408SS*.THydrogen-bonded Turntrans-111.6-11.1-178.7-57.40000114.6D151D151-S153 PolarHBondContact O-N 2.96Å
154N71.4Confident71.9Confident31 Ų3174.1 Ų74.117%0.16640%0.397CS..EExtended strand (participates in β ladder)trans-128.9109.3-168.4-79.5-45.1000112.6L113 E116 I150 D151L113-N154 HydrophobicContact CD2-CB 3.84Å; L113-N154 WeakPolarHBondContact CD2-ND2 3.49Å; E116-N154 PolarHBondContact OE2-ND2 3.03Å; I150-N154 PolarHBondContact N-O 2.85Å; D151-N154 HydrophobicContact CB-CB 4.32Å; D151-N154 PolarHBondContact N-O 3.33Å; D151-N154 PolarHBondContact O-N 3.33Å; D151-N154 VanDerWaalsContact O-N 3.16Å
155T79Confident71.6Confident76 Ų7682.8 Ų82.847%0.46643%0.431SS..EExtended strand (participates in β ladder)trans-113.5119.3172.963.80000110.9L148 P149L148-T155 CarbonylContact O-C 3.48Å; L148-T155 WeakPolarHBondContact O-CA 3.34Å; P149-T155 HydrophobicContact CB-CG2 4.13Å
156I79.3Confident71Confident7 Ų787.6 Ų87.64%0.03645%0.451CS..EExtended strand (participates in β ladder)trans-81.3121.4172.8-60.2-167.7000108.6L106 Y109 T147 L148 I150 L158L106-I156 HydrophobicContact CD2-CD1 4.05Å; L106-I156 HydrophobicContact CD2-CG2 3.83Å; Y109-I156 HydrophobicContact CD1-CG1 4.49Å; Y109-I156 HydrophobicContact CD2-CB 4.49Å; Y109-I156 HydrophobicContact CD2-CG1 4.26Å; Y109-I156 HydrophobicContact CD2-CG2 3.89Å; Y109-I156 HydrophobicContact CE2-CG2 4.02Å; Y109-I156 HydrophobicContact CG-CD1 4.38Å; Y109-I156 HydrophobicContact CG-CG1 4.12Å; T147-I156 CarbonylContact C-O 3.4Å; T147-I156 WeakPolarHBondContact CA-O 3.3Å; L148-I156 PolarHBondContact N-O 3.49Å; L148-I156 PolarHBondContact O-N 3.32Å; I150-I156 HydrophobicContact CD1-CD1 3.24Å; I150-I156 HydrophobicContact CD1-CG1 3.63Å; I150-I156 HydrophobicContact CG1-CD1 4.38Å; I150-I156 HydrophobicContact CG1-CG1 4.36Å; I156-L158 HydrophobicContact CG2-CD1 4.13Å; I156-L158 HydrophobicContact CG2-CD2 3.9Å; I156-L158 HydrophobicContact CG2-CG 3.77Å
157Q78.8Confident71Confident110 Ų11088.6 Ų88.651%0.51446%0.457SS..EExtended strand (participates in β ladder)trans-116.9115.4174.5-61.3-178.6-500110K105 C146 T147K105-Q157 PolarHBondContact NZ-O 2.82Å; C146-Q157 CarbonylContact O-C 3.55Å; C146-Q157 WeakPolarHBondContact O-CA 3.15Å; T147-Q157 HydrophobicContact CG2-CG 4.2Å
158L75.8Confident70.6Confident6 Ų688 Ų883%0.03146%0.455CS..EExtended strand (participates in β ladder)trans-119138.6178.4-52.6173.2000109.2I102 K105 L106 L136 A145 C146 I156I102-L158 HydrophobicContact CG2-CD1 4Å; I102-L158 HydrophobicContact CG2-CD2 4.23Å; I102-L158 HydrophobicContact CG2-CG 4.47Å; K105-L158 HydrophobicContact CD-CD2 4.26Å; L106-L158 HydrophobicContact CD1-CD1 3.87Å; L106-L158 HydrophobicContact CD2-CD1 3.74Å; L106-L158 HydrophobicContact CD2-CD2 4.12Å; L106-L158 HydrophobicContact CD2-CG 4.43Å; L106-L158 HydrophobicContact CG-CD1 3.83Å; L106-L158 HydrophobicContact CG-CD2 3.99Å; L136-L158 HydrophobicContact CD2-CD1 3.39Å; A145-L158 CarbonylContact C-O 3.51Å; A145-L158 WeakPolarHBondContact CA-O 3.14Å; C146-L158 HydrophobicContact CB-CB 4.39Å; C146-L158 PolarHBondContact N-O 2.94Å; C146-L158 PolarHBondContact O-N 2.91Å; I156-L158 HydrophobicContact CG2-CD1 4.13Å; I156-L158 HydrophobicContact CG2-CD2 3.9Å; I156-L158 HydrophobicContact CG2-CG 3.77Å
159K77.9Confident70.2Confident155 Ų15591.8 Ų91.867%0.67448%0.479SS*.EExtended strand (participates in β ladder)trans-137.2126.7172.4-173.6176.1-178.7177.90108.3I161K159-I161 PolarHBondContact O-N 2.87Å
160L71.5Confident70Confident32 Ų3287.1 Ų87.117%0.16845%0.449CS..  trans-71.5106.8172.9-170.971.3000108.5A98 L99 I102 G144A98-L160 HydrophobicContact CB-CD1 3.78Å; A98-L160 HydrophobicContact CB-CG 4.43Å; L99-L160 HydrophobicContact CD2-CD1 3.77Å; L99-L160 HydrophobicContact CG-CD1 4.44Å; I102-L160 HydrophobicContact CD1-CB 4.29Å; I102-L160 HydrophobicContact CD1-CD1 3.62Å; G144-L160 WeakPolarHBondContact O-CB 3.46Å; G144-L160 PolarHBondContact O-N 3.33Å
161I70.3Confident70Confident125 Ų12588.7 Ų88.764%0.64146%0.456SS*.  trans-90.4113.8172.9-57.8173.5000106.7A98 K159 Q163A98-I161 WeakPolarHBondContact CB-O 3.33Å; K159-I161 PolarHBondContact O-N 2.87Å; I161-Q163 PolarHBondContact O-N 3.27Å; I161-Q163 VanDerWaalsContact O-N 3.12Å
162Q64.3Low69.9Low104 Ų10487.9 Ų87.949%0.48645%0.449SS..  trans-70.5108.3172.2-68.5-175.7-7.100108.9R164Q162-R164 PolarHBondContact O-N 2.92Å; Q162-R164 VanDerWaalsContact O-N 3.08Å
163Q62.6Low70Confident134 Ų13481 Ų8163%0.62641%0.411SS*.  trans-70.5104.6171.5-167.91766.700108.4I161I161-Q163 PolarHBondContact O-N 3.27Å; I161-Q163 VanDerWaalsContact O-N 3.12Å
164R64.6Low70.1Confident107 Ų10776.9 Ų76.940%0.40438%0.381SS..PPolyproline II helixtrans-78.8154.9173.2-62.4-179.9179.2-167.11.9109.2Q162 Y230 Y231Q162-R164 PolarHBondContact O-N 2.92Å; Q162-R164 VanDerWaalsContact O-N 3.08Å; R164-Y230 HydrophobicContact CB-CD2 4.13Å; R164-Y230 HydrophobicContact CB-CE1 4.37Å; R164-Y230 HydrophobicContact CB-CE2 3.63Å; R164-Y230 WeakPolarHBondContact CD-O 3.35Å; R164-Y230 PolarHBondContact N-OH 3.27Å; R164-Y230 PolarHBondContact NH1-O 3.48Å; R164-Y230 VanDerWaalsContact NH1-O 3.11Å; R164-Y230 WeakPolarHBondContact O-CE2 3.44Å; R164-Y230 PolarHBondContact O-OH 3.41Å; R164-Y231 PolarHBondContact NH1-O 3.36Å
165K62.9Low70.1Confident196 Ų19675.6 Ų75.685%0.85237%0.374SS*.PPolyproline II helixtrans-62.7143.8175.4-66.9-175.9178.1-178.50109.5
166D62.9Low69.8Low145 Ų14572 Ų7278%0.77535%0.352SS*.PPolyproline II helixtrans-57.3132177.1-63.6-42.9000109.7
167P70.9Confident69.5Low23 Ų2371.9 Ų71.915%0.14935%0.351CS..PPolyproline II helixtrans-70.5147.8-177.132.3-32.8000109Q226 L229 Y230P167-Q226 HydrophobicContact CB-CG 4.19Å; P167-Q226 HydrophobicContact CG-CG 3.45Å; P167-Q226 VanDerWaalsContact CG-CG 3.45Å; P167-L229 HydrophobicContact CB-CB 4.27Å; P167-L229 HydrophobicContact CB-CD2 3.94Å; P167-L229 HydrophobicContact CB-CG 3.92Å; P167-Y230 HydrophobicContact CG-CD2 4.43Å
168P68.8Low69Low87 Ų8768 Ų6857%0.56533%0.333SS*.PPolyproline II helixtrans-59.8151.9172.427.4-34.5000110.5V170 L229P168-V170 PolarHBondContact O-N 2.88Å; P168-L229 HydrophobicContact CG-CD2 3.81Å
169T67.1Low68.4Low101 Ų10170.9 Ų70.962%0.6235%0.351SS*.PPolyproline II helixtrans-64.8122.3178.4550000109.9
170V70.6Confident67.5Low2 Ų268.7 Ų68.71%0.01234%0.343CS..PPolyproline II helixtrans-75.2126.4178.7-168.90000109.8P168 D174 I207 R222 V225 Q226 L229 L236P168-V170 PolarHBondContact O-N 2.88Å; V170-D174 HydrophobicContact CG1-CB 4.4Å; V170-I207 HydrophobicContact CB-CD1 4.48Å; V170-I207 HydrophobicContact CG1-CD1 3.15Å; V170-R222 HydrophobicContact CB-CG 4.04Å; V170-R222 WeakPolarHBondContact O-CD 3.37Å; V170-R222 WeakPolarHBondContact O-CG 3.49Å; V170-V225 HydrophobicContact CG1-CG1 3.99Å; V170-V225 HydrophobicContact CG2-CG1 4.39Å; V170-Q226 HydrophobicContact CG2-CB 3.73Å; V170-Q226 HydrophobicContact CG2-CG 4.2Å; V170-L229 HydrophobicContact CG2-CD2 4.46Å; V170-L236 HydrophobicContact CB-CD1 4.13Å; V170-L236 HydrophobicContact CG1-CD1 3.84Å; V170-L236 HydrophobicContact CG1-CD2 3.7Å; V170-L236 HydrophobicContact CG1-CG 4.43Å; V170-L236 HydrophobicContact CG2-CD1 3.89Å
171Q69.8Low66.5Low65 Ų6571.5 Ų71.530%0.30436%0.364SS..PPolyproline II helixtrans-96.5157.5177.7-59.9-64.3-28.200111.2Y173 D174Q171-Y173 HydrophobicContact CB-CD1 4.09Å; Q171-Y173 HydrophobicContact CB-CD2 4.35Å; Q171-Y173 HydrophobicContact CB-CE1 3.53Å; Q171-Y173 HydrophobicContact CB-CE2 3.85Å; Q171-Y173 HydrophobicContact CB-CG 4.47Å; Q171-Y173 VanDerWaalsContact CB-CZ 3.44Å; Q171-Y173 HydrophobicContact CG-CE1 4.16Å; Q171-Y173 HydrophobicContact CG-CE2 4.44Å; Q171-Y173 WeakPolarHBondContact CG-OH 3.4Å; Q171-Y173 PolarHBondContact O-N 3.49Å; Q171-D174 WeakPolarHBondContact CB-OD2 3.28Å; Q171-D174 PolarHBondContact N-OD2 3.15Å; Q171-D174 WeakPolarHBondContact O-CB 3.45Å; Q171-D174 PolarHBondContact O-N 3.49Å
172E66.8Low65.8Low68 Ų6869.5 Ų69.532%0.31835%0.351SS..THydrogen-bonded Turntrans-65.9-25.2-171.2-45.4-171.9168.800113.9I207 Q208 L218E172-I207 PolarHBondContact O-N 3.06Å; E172-Q208 HydrophobicContact CB-CG 3.91Å; E172-Q208 PolarHBondContact OE2-NE2 3.28Å; E172-L218 HydrophobicContact CB-CD2 4.49Å; E172-L218 HydrophobicContact CG-CD1 4.43Å; E172-L218 HydrophobicContact CG-CD2 3.83Å
173Y67.3Low65.2Low21 Ų2173.4 Ų73.48%0.08237%0.369CS..THydrogen-bonded Turntrans-90-1.5178.352.8-98.5000113.4Q171 D353 E354Q171-Y173 HydrophobicContact CB-CD1 4.09Å; Q171-Y173 HydrophobicContact CB-CD2 4.35Å; Q171-Y173 HydrophobicContact CB-CE1 3.53Å; Q171-Y173 HydrophobicContact CB-CE2 3.85Å; Q171-Y173 HydrophobicContact CB-CG 4.47Å; Q171-Y173 VanDerWaalsContact CB-CZ 3.44Å; Q171-Y173 HydrophobicContact CG-CE1 4.16Å; Q171-Y173 HydrophobicContact CG-CE2 4.44Å; Q171-Y173 WeakPolarHBondContact CG-OH 3.4Å; Q171-Y173 PolarHBondContact O-N 3.49Å; Y173-D353 HydrophobicContact CD1-CB 4.13Å; Y173-D353 HydrophobicContact CD2-CB 4.08Å; Y173-D353 HydrophobicContact CE1-CB 4.46Å; Y173-D353 HydrophobicContact CE2-CB 4.4Å; Y173-D353 HydrophobicContact CG-CB 3.92Å; Y173-E354 HydrophobicContact CD1-CG 4.46Å; Y173-E354 HydrophobicContact CE1-CB 4.39Å; Y173-E354 HydrophobicContact CE1-CG 3.41Å; Y173-E354 VanDerWaalsContact CE1-CG 3.41Å; Y173-E354 PolarHBondContact OH-OE1 2.96Å
174D70Confident64.7Low20 Ų2074 Ų7411%0.10738%0.376CS..EExtended strand (participates in β ladder)trans-75146.8176.3-66-33.2000110.7V170 Q171 H206 I207 L236V170-D174 HydrophobicContact CG1-CB 4.4Å; Q171-D174 WeakPolarHBondContact CB-OD2 3.28Å; Q171-D174 PolarHBondContact N-OD2 3.15Å; Q171-D174 WeakPolarHBondContact O-CB 3.45Å; Q171-D174 PolarHBondContact O-N 3.49Å; D174-H206 WeakPolarHBondContact O-CA 3.33Å; D174-I207 HydrophobicContact CB-CD1 4.5Å; D174-I207 PolarHBondContact O-N 3.08Å; D174-L236 HydrophobicContact CB-CB 4.39Å; D174-L236 HydrophobicContact CB-CD2 4.06Å
175V71.9Confident64.3Low4 Ų471.1 Ų71.12%0.02437%0.367CS..EExtended strand (participates in β ladder)trans-110.9111.3179.9177.20000108.1V177 G203 R205 H206 V237 I239V175-V177 HydrophobicContact CG1-CG2 4.49Å; V175-V177 PolarHBondContact O-N 3.38Å; V175-G203 WeakPolarHBondContact CG1-O 3.16Å; V175-R205 WeakPolarHBondContact CG1-O 3.33Å; V175-H206 HydrophobicContact CG2-CB 4.15Å; V175-V237 WeakPolarHBondContact CA-O 3.44Å; V175-V237 WeakPolarHBondContact CB-O 3.46Å; V175-V237 PolarHBondContact N-O 2.98Å; V175-V237 PolarHBondContact O-N 3.16Å; V175-I239 HydrophobicContact CG2-CB 4.36Å
176P72.5Confident63.9Low0 Ų067.5 Ų67.50%036%0.355CS..EExtended strand (participates in β ladder)trans-70128.2174.226.2-31.5000110.3I201 G203 I210 V225 V234P176-I201 HydrophobicContact CB-CG1 4.49Å; P176-I201 HydrophobicContact CB-CG2 4.01Å; P176-I201 HydrophobicContact CG-CD1 4.44Å; P176-I201 HydrophobicContact CG-CG1 4.02Å; P176-I201 HydrophobicContact CG-CG2 4.07Å; P176-I201 WeakPolarHBondContact O-CG2 3.37Å; P176-G203 WeakPolarHBondContact O-CA 3.41Å; P176-I210 HydrophobicContact CG-CD1 3.64Å; P176-V225 HydrophobicContact CB-CG1 4.06Å; P176-V225 HydrophobicContact CG-CG2 4.46Å; P176-V234 HydrophobicContact CB-CG1 3.29Å
177V71.9Confident63.7Low4 Ų468.1 Ų68.12%0.02435%0.351CS..EExtended strand (participates in β ladder)trans-120.3134.2172.3-171.10000109.8V175 T179 V234 T235 V237 Q316 I320V175-V177 HydrophobicContact CG1-CG2 4.49Å; V175-V177 PolarHBondContact O-N 3.38Å; V177-T179 PolarHBondContact O-N 3.08Å; V177-V234 CarbonylContact O-C 3.53Å; V177-V234 WeakPolarHBondContact O-CA 3.47Å; V177-T235 PolarHBondContact N-O 2.91Å; V177-T235 PolarHBondContact O-N 3.34Å; V177-T235 PolarHBondContact O-OG1 3.12Å; V177-V237 HydrophobicContact CB-CG2 4.29Å; V177-V237 HydrophobicContact CG2-CB 3.9Å; V177-V237 HydrophobicContact CG2-CG2 3.55Å; V177-Q316 HydrophobicContact CG1-CG 4.43Å; V177-Q316 HydrophobicContact CG2-CG 4.08Å; V177-I320 HydrophobicContact CB-CD1 4.33Å; V177-I320 HydrophobicContact CB-CG1 4.39Å; V177-I320 HydrophobicContact CG1-CD1 3.66Å; V177-I320 HydrophobicContact CG1-CG1 4.26Å
178F69.5Low63Low30 Ų3071.8 Ų71.813%0.13238%0.377CS..EExtended strand (participates in β ladder)trans-71127.7174.1-72.3-73.8000111.4K182 L198 I201 V233 V234F178-K182 HydrophobicContact CD2-CD 4.15Å; F178-K182 HydrophobicContact CD2-CG 3.92Å; F178-K182 HydrophobicContact CE2-CD 4.16Å; F178-K182 HydrophobicContact CE2-CG 4.09Å; F178-K182 HydrophobicContact CG-CG 4.16Å; F178-L198 HydrophobicContact CE1-CD1 3.73Å; F178-L198 HydrophobicContact CZ-CD1 3.42Å; F178-L198 VanDerWaalsContact CZ-CD1 3.42Å; F178-L198 HydrophobicContact CZ-CG 3.9Å; F178-I201 HydrophobicContact CD2-CB 4.23Å; F178-I201 HydrophobicContact CD2-CG2 3.56Å; F178-I201 HydrophobicContact CE2-CB 3.37Å; F178-I201 HydrophobicContact CE2-CD1 4.38Å; F178-I201 HydrophobicContact CE2-CG1 4.47Å; F178-I201 HydrophobicContact CE2-CG2 3.17Å; F178-I201 VanDerWaalsContact CE2-O 3.28Å; F178-I201 WeakPolarHBondContact CE2-O 3.48Å; F178-I201 HydrophobicContact CG-CG2 4.45Å; F178-I201 HydrophobicContact CZ-CB 3.81Å; F178-I201 HydrophobicContact CZ-CD1 3.92Å; F178-I201 HydrophobicContact CZ-CG1 4.47Å; F178-I201 HydrophobicContact CZ-CG2 3.74Å; F178-V233 HydrophobicContact CD1-CG1 3.84Å; F178-V233 HydrophobicContact CE1-CG1 3.86Å; F178-V234 HydrophobicContact CD1-CG2 3.91Å; F178-V234 HydrophobicContact CE1-CG2 3.81Å
179T62Low62.8Low66 Ų6675.4 Ų75.441%0.40539%0.386SS..SBendtrans-87.4-27170.335.70000112.3V177 G232 V233 T235 I320V177-T179 PolarHBondContact O-N 3.08Å; T179-G232 PolarHBondContact OG1-O 3.25Å; T179-V233 PolarHBondContact N-O 3.47Å; T179-V233 PolarHBondContact OG1-O 3.04Å; T179-T235 HydrophobicContact CG2-CG2 3.32Å; T179-I320 HydrophobicContact CG2-CG2 4.41Å
180E60Low63Low108 Ų10873.8 Ų73.851%0.50537%0.369SS..SBendtrans-113.4151.4-179.2-61.7-169.7159.500111.3K182 F185E180-K182 PolarHBondContact O-N 2.98Å; E180-F185 HydrophobicContact CB-CE2 4.07Å; E180-F185 HydrophobicContact CB-CZ 4.28Å; E180-F185 WeakPolarHBondContact OE2-CZ 3.43Å
181C49.6Very low63.3Low92 Ų9279 Ų7962%0.62240%0.397SS*.  trans-60.6122.8-179-70.40000110.5E183 L184C181-E183 PolarHBondContact O-N 3.48Å; C181-L184 PolarHBondContact O-N 2.9Å
182K56.9Low63.7Low82 Ų8281.7 Ų81.736%0.35741%0.412SS..THydrogen-bonded Turntrans-50.3-19.6178.8-66.4179.1176.6-1710114.1F178 E180 I201 D202F178-K182 HydrophobicContact CD2-CD 4.15Å; F178-K182 HydrophobicContact CD2-CG 3.92Å; F178-K182 HydrophobicContact CE2-CD 4.16Å; F178-K182 HydrophobicContact CE2-CG 4.09Å; F178-K182 HydrophobicContact CG-CG 4.16Å; E180-K182 PolarHBondContact O-N 2.98Å; K182-I201 WeakPolarHBondContact CE-O 3.2Å; K182-I201 PolarHBondContact NZ-O 2.61Å; K182-D202 IonicContact NZ-OD1 3.55Å; K182-D202 PolarHBondContact NZ-OD1 3Å
183E51.5Low64.3Low187 Ų18781 Ų8187%0.87441%0.413SS*.THydrogen-bonded Turntrans-87.5-18.4-169.2-65173.9-175.500114.6C181 F185C181-E183 PolarHBondContact O-N 3.48Å; E183-F185 VanDerWaalsContact C-N 3.27Å; E183-F185 PolarHBondContact O-N 2.81Å
184L51.3Low64.9Low146 Ų14680.5 Ų80.576%0.76441%0.412SS*.SBendtrans-80.4-10.2177.3-71.2169.2000113.1C181 I186C181-L184 PolarHBondContact O-N 2.9Å; L184-I186 PolarHBondContact O-N 2.89Å
185F56.6Low65.4Low47 Ų4783.3 Ų83.321%0.20643%0.425CS..SBendtrans-92108.9-175.9-65.4-71.9000110.7E180 E183 K187 W190 V233E180-F185 HydrophobicContact CB-CE2 4.07Å; E180-F185 HydrophobicContact CB-CZ 4.28Å; E180-F185 WeakPolarHBondContact OE2-CZ 3.43Å; E183-F185 VanDerWaalsContact C-N 3.27Å; E183-F185 PolarHBondContact O-N 2.81Å; F185-K187 PolarHBondContact O-N 3.26Å; F185-W190 HydrophobicContact CB-CZ2 4.29Å; F185-W190 AromaticContact CD1-CZ2 3.59Å; F185-W190 HydrophobicContact CD1-CZ2 3.59Å; F185-W190 HydrophobicContact CE1-CZ2 4.21Å; F185-W190 HydrophobicContact CG-CZ2 4.14Å; F185-V233 HydrophobicContact CE1-CG2 4.06Å; F185-V233 HydrophobicContact CE2-CG1 3.99Å; F185-V233 HydrophobicContact CZ-CB 4.48Å; F185-V233 HydrophobicContact CZ-CG1 3.94Å; F185-V233 HydrophobicContact CZ-CG2 3.87Å
186I54.1Low65.7Low120 Ų12087.2 Ų87.262%0.61544%0.442SS*.  trans-60.799.9177.8-58.5171.2000108.9L184 S188 H189L184-I186 PolarHBondContact O-N 2.89Å; I186-S188 PolarHBondContact O-N 3.17Å; I186-H189 PolarHBondContact O-N 3.37Å
187K58.4Low66.1Low158 Ų15887.2 Ų87.269%0.68744%0.443SS*.G310 helixtrans-50.2-26.1-177-70.3179178.6176.20114.1F185 H189 Q195F185-K187 PolarHBondContact O-N 3.26Å; K187-H189 PolarHBondContact O-N 2.88Å; K187-Q195 PolarHBondContact O-NE2 3.49Å
188S56.8Low66.4Low100 Ų10088.4 Ų88.470%0.69945%0.449SS*.G310 helixtrans-73.3-21.6-173.2-167.50000116.3I186I186-S188 PolarHBondContact O-N 3.17Å
189H64.9Low66.8Low163 Ų16390.8 Ų90.876%0.75547%0.467SS*.G310 helixtrans-103.74.3-176.3-69.486.6000113.5I186 K187I186-H189 PolarHBondContact O-N 3.37Å; K187-H189 PolarHBondContact O-N 2.88Å
190W71.3Confident67.4Low67 Ų6791.5 Ų91.525%0.25446%0.463SS..SBendtrans-86.8147.5-179.8-72.691.4000111.8F185 T194 Q195 L228F185-W190 HydrophobicContact CB-CZ2 4.29Å; F185-W190 AromaticContact CD1-CZ2 3.59Å; F185-W190 HydrophobicContact CD1-CZ2 3.59Å; F185-W190 HydrophobicContact CE1-CZ2 4.21Å; F185-W190 HydrophobicContact CG-CZ2 4.14Å; W190-T194 HydrophobicContact CD2-CG2 4.26Å; W190-T194 HydrophobicContact CE3-CG2 3.51Å; W190-T194 HydrophobicContact CZ3-CG2 3.94Å; W190-Q195 HydrophobicContact CB-CG 3.91Å; W190-Q195 PolarHBondContact O-NE2 3.48Å; W190-Q195 VanDerWaalsContact O-NE2 3.1Å; W190-L228 HydrophobicContact CH2-CD2 4Å; W190-L228 HydrophobicContact CZ3-CD2 3.71Å
191D77.2Confident68Low112 Ų11286.3 Ų86.360%0.59944%0.439SS*.  trans-57.4145.5171.9-62.3-34.7000111.2T193 T194 Q195D191-T193 PolarHBondContact O-N 2.86Å; D191-T194 WeakPolarHBondContact O-CA 3.38Å; D191-T194 WeakPolarHBondContact O-CB 3.45Å; D191-T194 PolarHBondContact O-N 3.44Å; D191-Q195 PolarHBondContact O-N 2.88Å
192L77.9Confident68.8Low120 Ų12085.8 Ų85.863%0.62843%0.43SS*.Hα-helixtrans-52.4-41.7-178.6-169.681.4000112.3T194 Q195 Q196L192-T194 VanDerWaalsContact C-N 3.34Å; L192-T194 PolarHBondContact O-N 2.82Å; L192-Q195 PolarHBondContact O-N 3.28Å; L192-Q196 WeakPolarHBondContact O-CG 3.45Å; L192-Q196 PolarHBondContact O-N 2.7Å
193T78.8Confident69.3Low53 Ų5382.1 Ų82.133%0.32542%0.415SS..Hα-helixtrans-62.8-41.317852.20000111.6D191 Q196 I197D191-T193 PolarHBondContact O-N 2.86Å; T193-Q196 PolarHBondContact O-N 3.13Å; T193-I197 WeakPolarHBondContact O-CB 3.44Å; T193-I197 VanDerWaalsContact O-CD1 3.31Å; T193-I197 WeakPolarHBondContact O-CD1 3.26Å; T193-I197 WeakPolarHBondContact O-CG1 3.46Å; T193-I197 PolarHBondContact O-N 2.78Å; T193-I197 VanDerWaalsContact O-N 3.07Å
194T79.4Confident69.8Low11 Ų1177.3 Ų77.37%0.06739%0.391CS..Hα-helixtrans-69.4-39.2178.5-520000110.9W190 D191 L192 Q196 I197 L198 L228W190-T194 HydrophobicContact CD2-CG2 4.26Å; W190-T194 HydrophobicContact CE3-CG2 3.51Å; W190-T194 HydrophobicContact CZ3-CG2 3.94Å; D191-T194 WeakPolarHBondContact O-CA 3.38Å; D191-T194 WeakPolarHBondContact O-CB 3.45Å; D191-T194 PolarHBondContact O-N 3.44Å; L192-T194 VanDerWaalsContact C-N 3.34Å; L192-T194 PolarHBondContact O-N 2.82Å; T194-Q196 VanDerWaalsContact C-N 3.32Å; T194-Q196 PolarHBondContact O-N 3.31Å; T194-I197 PolarHBondContact O-N 2.87Å; T194-L198 WeakPolarHBondContact O-CB 3.21Å; T194-L198 PolarHBondContact O-N 3.29Å; T194-L228 HydrophobicContact CG2-CD1 4.27Å; T194-L228 HydrophobicContact CG2-CD2 3.97Å; T194-L228 HydrophobicContact CG2-CG 4.43Å
195Q80Confident70.7Confident80 Ų8072.9 Ų72.937%0.37436%0.364SS..Hα-helixtrans-63.3-36.7175.5-68.5179.5-0.300112.8K187 W190 D191 L192 P199K187-Q195 PolarHBondContact O-NE2 3.49Å; W190-Q195 HydrophobicContact CB-CG 3.91Å; W190-Q195 PolarHBondContact O-NE2 3.48Å; W190-Q195 VanDerWaalsContact O-NE2 3.1Å; D191-Q195 PolarHBondContact O-N 2.88Å; L192-Q195 PolarHBondContact O-N 3.28Å; Q195-P199 WeakPolarHBondContact O-CD 3.47Å
196Q78.4Confident71.5Confident85 Ų8571.8 Ų71.840%0.39736%0.36SS..Hα-helixtrans-71.9-35.8176.7-74.6177-17.700112.2L192 T193 T194 P199 Y200L192-Q196 WeakPolarHBondContact O-CG 3.45Å; L192-Q196 PolarHBondContact O-N 2.7Å; T193-Q196 PolarHBondContact O-N 3.13Å; T194-Q196 VanDerWaalsContact C-N 3.32Å; T194-Q196 PolarHBondContact O-N 3.31Å; Q196-P199 WeakPolarHBondContact O-CD 3.37Å; Q196-Y200 WeakPolarHBondContact O-CD2 3.23Å; Q196-Y200 VanDerWaalsContact O-CE2 3.32Å; Q196-Y200 WeakPolarHBondContact O-CE2 3.36Å
197I81.9Confident72.5Confident1 Ų166.1 Ų66.11%0.00533%0.331CS..Hα-helixtrans-79.8-35.6-178-67163.8000111.9T193 T194 Y200 I201 I210 V221 A224T193-I197 WeakPolarHBondContact O-CB 3.44Å; T193-I197 VanDerWaalsContact O-CD1 3.31Å; T193-I197 WeakPolarHBondContact O-CD1 3.26Å; T193-I197 WeakPolarHBondContact O-CG1 3.46Å; T193-I197 PolarHBondContact O-N 2.78Å; T193-I197 VanDerWaalsContact O-N 3.07Å; T194-I197 PolarHBondContact O-N 2.87Å; I197-Y200 PolarHBondContact O-N 3.21Å; I197-I201 HydrophobicContact CG2-CD1 3.66Å; I197-I201 HydrophobicContact CG2-CG1 3.88Å; I197-I201 PolarHBondContact O-N 3.23Å; I197-I210 HydrophobicContact CG2-CG2 3.92Å; I197-V221 HydrophobicContact CD1-CB 4.22Å; I197-V221 HydrophobicContact CD1-CG1 4.09Å; I197-V221 HydrophobicContact CD1-CG2 4.01Å; I197-V221 HydrophobicContact CG1-CG1 4.49Å; I197-V221 HydrophobicContact CG1-CG2 4.38Å; I197-A224 HydrophobicContact CD1-CB 3.67Å
198L77.2Confident73.4Confident29 Ų2961.6 Ų61.615%0.15231%0.312CS..THydrogen-bonded Turntrans-52.7-42-174-152.982.4000115.1F178 T194 Y200 I201F178-L198 HydrophobicContact CE1-CD1 3.73Å; F178-L198 HydrophobicContact CZ-CD1 3.42Å; F178-L198 VanDerWaalsContact CZ-CD1 3.42Å; F178-L198 HydrophobicContact CZ-CG 3.9Å; T194-L198 WeakPolarHBondContact O-CB 3.21Å; T194-L198 PolarHBondContact O-N 3.29Å; L198-Y200 VanDerWaalsContact C-N 3.25Å; L198-Y200 PolarHBondContact O-N 2.79Å; L198-I201 PolarHBondContact O-N 2.62Å
199P77.8Confident74.5Confident79 Ų7962.2 Ų62.251%0.51330%0.302SS..THydrogen-bonded Turntrans-64.8-29.6178.1-20.733.5000112.9Q195 Q196Q195-P199 WeakPolarHBondContact O-CD 3.47Å; Q196-P199 WeakPolarHBondContact O-CD 3.37Å
200Y75.9Confident75.3Confident81 Ų8154.5 Ų54.532%0.31827%0.266SS..THydrogen-bonded Turntrans-88-13.8-175.6-59.9-72.5000113.3Q196 I197 L198 D202 R205 E213 A214Q196-Y200 WeakPolarHBondContact O-CD2 3.23Å; Q196-Y200 VanDerWaalsContact O-CE2 3.32Å; Q196-Y200 WeakPolarHBondContact O-CE2 3.36Å; I197-Y200 PolarHBondContact O-N 3.21Å; L198-Y200 VanDerWaalsContact C-N 3.25Å; L198-Y200 PolarHBondContact O-N 2.79Å; Y200-D202 PolarHBondContact O-N 2.83Å; Y200-R205 PolarHBondContact O-NE 3.3Å; Y200-R205 PolarHBondContact O-NH2 3.05Å; Y200-E213 HydrophobicContact CD1-CB 3.9Å; Y200-E213 WeakPolarHBondContact CD1-OE2 3.37Å; Y200-E213 HydrophobicContact CE1-CB 3.95Å; Y200-E213 HydrophobicContact CG-CB 4.45Å; Y200-E213 PolarHBondContact OH-O 3.45Å; Y200-A214 HydrophobicContact CD2-CB 3.92Å; Y200-A214 HydrophobicContact CE2-CB 4.02Å
201I73.1Confident75.8Confident0 Ų052.2 Ų52.20%026%0.261CS..  trans-77.389.5173.9-61171.3000109.1P176 F178 K182 I197 L198 I210 L228P176-I201 HydrophobicContact CB-CG1 4.49Å; P176-I201 HydrophobicContact CB-CG2 4.01Å; P176-I201 HydrophobicContact CG-CD1 4.44Å; P176-I201 HydrophobicContact CG-CG1 4.02Å; P176-I201 HydrophobicContact CG-CG2 4.07Å; P176-I201 WeakPolarHBondContact O-CG2 3.37Å; F178-I201 HydrophobicContact CD2-CB 4.23Å; F178-I201 HydrophobicContact CD2-CG2 3.56Å; F178-I201 HydrophobicContact CE2-CB 3.37Å; F178-I201 HydrophobicContact CE2-CD1 4.38Å; F178-I201 HydrophobicContact CE2-CG1 4.47Å; F178-I201 HydrophobicContact CE2-CG2 3.17Å; F178-I201 VanDerWaalsContact CE2-O 3.28Å; F178-I201 WeakPolarHBondContact CE2-O 3.48Å; F178-I201 HydrophobicContact CG-CG2 4.45Å; F178-I201 HydrophobicContact CZ-CB 3.81Å; F178-I201 HydrophobicContact CZ-CD1 3.92Å; F178-I201 HydrophobicContact CZ-CG1 4.47Å; F178-I201 HydrophobicContact CZ-CG2 3.74Å; K182-I201 WeakPolarHBondContact CE-O 3.2Å; K182-I201 PolarHBondContact NZ-O 2.61Å; I197-I201 HydrophobicContact CG2-CD1 3.66Å; I197-I201 HydrophobicContact CG2-CG1 3.88Å; I197-I201 PolarHBondContact O-N 3.23Å; L198-I201 PolarHBondContact O-N 2.62Å; I201-I210 HydrophobicContact CG1-CD1 4.31Å; I201-L228 HydrophobicContact CD1-CD1 4.09Å
202D65.5Low76.2Confident81 Ų8150.7 Ų50.743%0.43326%0.264SS..  trans-1054.4174.5-75.4-24.5000113.6K182 Y200 F204 R205K182-D202 IonicContact NZ-OD1 3.55Å; K182-D202 PolarHBondContact NZ-OD1 3Å; Y200-D202 PolarHBondContact O-N 2.83Å; D202-F204 VanDerWaalsContact C-N 3.27Å; D202-F204 WeakPolarHBondContact O-CD2 3.28Å; D202-F204 PolarHBondContact O-N 3.19Å; D202-R205 IonicContact OD2-CZ 3.35Å; D202-R205 IonicContact OD2-NE 2.61Å; D202-R205 IonicContact OD2-NH2 2.62Å; D202-R205 PolarHBondContact OD2-NH2 2.71Å
203G66.6Low76.4Confident5 Ų549 Ų495%0.05225%0.253CS..SBendtrans76.88.2178.500000115.7V175 P176 Q316V175-G203 WeakPolarHBondContact CG1-O 3.16Å; P176-G203 WeakPolarHBondContact O-CA 3.41Å; G203-Q316 PolarHBondContact O-NE2 3.23Å; G203-Q316 VanDerWaalsContact O-NE2 3.11Å
204F62.9Low76.5Confident85 Ų8547.2 Ų47.237%0.37324%0.243SC..SBendtrans-123.6-21.5172.3-62.2-69.6000114D202 R312 R313 Q316D202-F204 VanDerWaalsContact C-N 3.27Å; D202-F204 WeakPolarHBondContact O-CD2 3.28Å; D202-F204 PolarHBondContact O-N 3.19Å; F204-R312 HydrophobicContact CD1-CB 4.26Å; F204-R312 HydrophobicContact CE1-CB 3.53Å; F204-R312 HydrophobicContact CZ-CB 4.16Å; F204-R313 HydrophobicContact CZ-CG 4.04Å; F204-Q316 VanDerWaalsContact CZ-OE1 3.29Å
205R70.2Confident76.8Confident53 Ų5354 Ų5420%0.228%0.279CS..SBendtrans-85.3129.8-179.7-69.5-176.3-88.6-151-2.8109.7V175 Y200 D202 K209 I210 E213V175-R205 WeakPolarHBondContact CG1-O 3.33Å; Y200-R205 PolarHBondContact O-NE 3.3Å; Y200-R205 PolarHBondContact O-NH2 3.05Å; D202-R205 IonicContact OD2-CZ 3.35Å; D202-R205 IonicContact OD2-NE 2.61Å; D202-R205 IonicContact OD2-NH2 2.62Å; D202-R205 PolarHBondContact OD2-NH2 2.71Å; R205-K209 HydrophobicContact CB-CB 4.38Å; R205-I210 HydrophobicContact CB-CD1 4.26Å; R205-I210 HydrophobicContact CB-CG1 3.85Å; R205-I210 WeakPolarHBondContact O-CD1 3.46Å; R205-E213 WeakPolarHBondContact CD-OE2 3.01Å; R205-E213 IonicContact CZ-OE2 3.71Å; R205-E213 IonicContact NE-OE2 2.7Å; R205-E213 IonicContact NH1-OE1 3.6Å; R205-E213 IonicContact NH1-OE2 3.69Å; R205-E213 PolarHBondContact NH1-OE2 3.32Å
206H73.2Confident77Confident24 Ų2451 Ų5111%0.11127%0.266CS..  trans-76.9164.1172.259.3-97.2000110.4D174 V175 Q208 K209 I210 I239D174-H206 WeakPolarHBondContact O-CA 3.33Å; V175-H206 HydrophobicContact CG2-CB 4.15Å; H206-Q208 VanDerWaalsContact C-N 3.29Å; H206-Q208 VanDerWaalsContact CD2-CB 3.44Å; H206-Q208 WeakPolarHBondContact CD2-CB 3.27Å; H206-Q208 PolarHBondContact CD2-N 2.95Å; H206-Q208 PolarHBondContact O-N 3.11Å; H206-K209 PolarHBondContact CD2-N 3.25Å; H206-K209 VanDerWaalsContact CD2-N 3.28Å; H206-K209 WeakPolarHBondContact CE1-CD 3.47Å; H206-K209 VanDerWaalsContact CE1-CE 3.45Å; H206-K209 WeakPolarHBondContact CE1-CE 3.35Å; H206-K209 WeakPolarHBondContact CE1-CG 3.38Å; H206-K209 WeakPolarHBondContact NE2-CG 3.3Å; H206-K209 PolarHBondContact NE2-N 2.85Å; H206-K209 PolarHBondContact O-N 3.07Å; H206-K209 VanDerWaalsContact O-N 3.07Å; H206-I210 PolarHBondContact O-N 3.02Å; H206-I239 HydrophobicContact CB-CD1 4.47Å
207I76Confident77.3Confident1 Ų152.6 Ų52.61%0.00527%0.274CS..Hα-helixtrans-59.2-36.5-173.9-73.2165.4000113.1V170 E172 D174 I210 S211 V221 V225V170-I207 HydrophobicContact CB-CD1 4.48Å; V170-I207 HydrophobicContact CG1-CD1 3.15Å; E172-I207 PolarHBondContact O-N 3.06Å; D174-I207 HydrophobicContact CB-CD1 4.5Å; D174-I207 PolarHBondContact O-N 3.08Å; I207-I210 PolarHBondContact O-N 3.03Å; I207-S211 WeakPolarHBondContact O-CB 3.46Å; I207-S211 PolarHBondContact O-N 3.1Å; I207-V221 HydrophobicContact CG2-CB 4.27Å; I207-V221 HydrophobicContact CG2-CG1 3.84Å; I207-V225 HydrophobicContact CD1-CG1 4.33Å
208Q76.6Confident77.3Confident63 Ų6354.3 Ų54.329%0.29428%0.282SS..Hα-helixtrans-62.8-42.7175.1-47.5179-28.700112.6E172 H206 S211 A212 L218E172-Q208 HydrophobicContact CB-CG 3.91Å; E172-Q208 PolarHBondContact OE2-NE2 3.28Å; H206-Q208 VanDerWaalsContact C-N 3.29Å; H206-Q208 VanDerWaalsContact CD2-CB 3.44Å; H206-Q208 WeakPolarHBondContact CD2-CB 3.27Å; H206-Q208 PolarHBondContact CD2-N 2.95Å; H206-Q208 PolarHBondContact O-N 3.11Å; Q208-S211 WeakPolarHBondContact O-CB 3.44Å; Q208-S211 PolarHBondContact O-N 3.32Å; Q208-A212 PolarHBondContact O-N 3.34Å; Q208-L218 HydrophobicContact CB-CD1 4.43Å; Q208-L218 HydrophobicContact CG-CD1 3.86Å
209K78.7Confident77.6Confident114 Ų11456.2 Ų56.250%0.49629%0.293SS..Hα-helixtrans-64.3-41.1174.7-90.5176-175.2-178.90112.1R205 H206 S211 A212 E213R205-K209 HydrophobicContact CB-CB 4.38Å; H206-K209 PolarHBondContact CD2-N 3.25Å; H206-K209 VanDerWaalsContact CD2-N 3.28Å; H206-K209 WeakPolarHBondContact CE1-CD 3.47Å; H206-K209 VanDerWaalsContact CE1-CE 3.45Å; H206-K209 WeakPolarHBondContact CE1-CE 3.35Å; H206-K209 WeakPolarHBondContact CE1-CG 3.38Å; H206-K209 WeakPolarHBondContact NE2-CG 3.3Å; H206-K209 PolarHBondContact NE2-N 2.85Å; H206-K209 PolarHBondContact O-N 3.07Å; H206-K209 VanDerWaalsContact O-N 3.07Å; K209-S211 VanDerWaalsContact C-N 3.32Å; K209-A212 PolarHBondContact O-N 3.44Å; K209-E213 WeakPolarHBondContact O-CB 3.37Å; K209-E213 WeakPolarHBondContact O-CG 3.11Å; K209-E213 PolarHBondContact O-N 3.39Å
210I82.6Confident77.8Confident0 Ų056.3 Ų56.30%029%0.289CS..Hα-helixtrans-62.5-43.2176.1-67.8162.8000110.3P176 I197 I201 R205 H206 I207 E213 A214 V221P176-I210 HydrophobicContact CG-CD1 3.64Å; I197-I210 HydrophobicContact CG2-CG2 3.92Å; I201-I210 HydrophobicContact CG1-CD1 4.31Å; R205-I210 HydrophobicContact CB-CD1 4.26Å; R205-I210 HydrophobicContact CB-CG1 3.85Å; R205-I210 WeakPolarHBondContact O-CD1 3.46Å; H206-I210 PolarHBondContact O-N 3.02Å; I207-I210 PolarHBondContact O-N 3.03Å; I210-E213 PolarHBondContact O-N 3.29Å; I210-A214 WeakPolarHBondContact O-CB 3.25Å; I210-A214 PolarHBondContact O-N 3.03Å; I210-V221 HydrophobicContact CG2-CG1 4.08Å
211S82.9Confident78.2Confident19 Ų1952.5 Ų52.513%0.13327%0.274CS..Hα-helixtrans-60.8-43.4175.8169.80000112I207 Q208 K209 D215 V216 L218I207-S211 WeakPolarHBondContact O-CB 3.46Å; I207-S211 PolarHBondContact O-N 3.1Å; Q208-S211 WeakPolarHBondContact O-CB 3.44Å; Q208-S211 PolarHBondContact O-N 3.32Å; K209-S211 VanDerWaalsContact C-N 3.32Å; S211-D215 WeakPolarHBondContact O-CA 3.29Å; S211-D215 PolarHBondContact O-N 3.39Å; S211-V216 WeakPolarHBondContact CB-O 3.44Å; S211-V216 PolarHBondContact O-N 3.43Å; S211-V216 PolarHBondContact OG-O 3.23Å; S211-L218 PolarHBondContact OG-N 2.7Å
212A84.4Confident78.6Confident81 Ų8156.8 Ų56.867%0.66929%0.29SS*.Hα-helixtrans-67-36.9178.100000113.4Q208 K209Q208-A212 PolarHBondContact O-N 3.34Å; K209-A212 PolarHBondContact O-N 3.44Å
213E82.3Confident79.4Confident85 Ų8556.9 Ų56.940%0.39729%0.29SS..Hα-helixtrans-83-31.2-179.7-69.9174178.600113Y200 R205 K209 I210 D215Y200-E213 HydrophobicContact CD1-CB 3.9Å; Y200-E213 WeakPolarHBondContact CD1-OE2 3.37Å; Y200-E213 HydrophobicContact CE1-CB 3.95Å; Y200-E213 HydrophobicContact CG-CB 4.45Å; Y200-E213 PolarHBondContact OH-O 3.45Å; R205-E213 WeakPolarHBondContact CD-OE2 3.01Å; R205-E213 IonicContact CZ-OE2 3.71Å; R205-E213 IonicContact NE-OE2 2.7Å; R205-E213 IonicContact NH1-OE1 3.6Å; R205-E213 IonicContact NH1-OE2 3.69Å; R205-E213 PolarHBondContact NH1-OE2 3.32Å; K209-E213 WeakPolarHBondContact O-CB 3.37Å; K209-E213 WeakPolarHBondContact O-CG 3.11Å; K209-E213 PolarHBondContact O-N 3.39Å; I210-E213 PolarHBondContact O-N 3.29Å; E213-D215 VanDerWaalsContact C-N 3.34Å
214A81.7Confident80.2Confident14 Ų1457 Ų5712%0.11629%0.29CS..Hα-helixtrans-83.6-11.1176.500000113.1Y200 I210 V216Y200-A214 HydrophobicContact CD2-CB 3.92Å; Y200-A214 HydrophobicContact CE2-CB 4.02Å; I210-A214 WeakPolarHBondContact O-CB 3.25Å; I210-A214 PolarHBondContact O-N 3.03Å; A214-V216 VanDerWaalsContact C-N 3.27Å; A214-V216 HydrophobicContact CB-CG2 4.08Å; A214-V216 WeakPolarHBondContact O-CG2 2.98Å; A214-V216 PolarHBondContact O-N 3.21Å
215D84.1Confident81.1Confident155 Ų15553 Ų5383%0.82927%0.272SS*.THydrogen-bonded Turntrans52.743.7-172.8-16229.1000112.5S211 E213S211-D215 WeakPolarHBondContact O-CA 3.29Å; S211-D215 PolarHBondContact O-N 3.39Å; E213-D215 VanDerWaalsContact C-N 3.34Å
216V84.4Confident81.7Confident16 Ų1653 Ų5310%0.09728%0.275CS..  trans-120.4140.1179.1-179.80000109.1S211 A214 L218 L220 V221S211-V216 WeakPolarHBondContact CB-O 3.44Å; S211-V216 PolarHBondContact O-N 3.43Å; S211-V216 PolarHBondContact OG-O 3.23Å; A214-V216 VanDerWaalsContact C-N 3.27Å; A214-V216 HydrophobicContact CB-CG2 4.08Å; A214-V216 WeakPolarHBondContact O-CG2 2.98Å; A214-V216 PolarHBondContact O-N 3.21Å; V216-L218 PolarHBondContact O-N 3.05Å; V216-L220 HydrophobicContact CG1-CB 3.85Å; V216-L220 HydrophobicContact CG1-CD1 4.28Å; V216-V221 HydrophobicContact CB-CG2 3.88Å; V216-V221 HydrophobicContact CG1-CG2 3.82Å
217E85.8Confident82.2Confident118 Ų11855.7 Ų55.755%0.55129%0.29SS*.  trans-54.8134.5176.7-166.5-168153.800112N219 L220 V221E217-N219 PolarHBondContact O-N 2.95Å; E217-N219 VanDerWaalsContact O-N 3.15Å; E217-N219 PolarHBondContact OE1-ND2 3.44Å; E217-L220 HydrophobicContact CB-CD1 4.2Å; E217-L220 HydrophobicContact CB-CG 4.29Å; E217-L220 WeakPolarHBondContact O-CB 3.38Å; E217-L220 PolarHBondContact O-N 3.2Å; E217-V221 PolarHBondContact O-N 3.24Å; E217-V221 VanDerWaalsContact O-N 3.1Å
218L81Confident82.4Confident37 Ų3755.8 Ų55.819%0.19429%0.291CS..Hα-helixtrans-53.3-39.5-176.7-167.3156.4000112.9E172 Q208 S211 V216 L220 V221 R222E172-L218 HydrophobicContact CB-CD2 4.49Å; E172-L218 HydrophobicContact CG-CD1 4.43Å; E172-L218 HydrophobicContact CG-CD2 3.83Å; Q208-L218 HydrophobicContact CB-CD1 4.43Å; Q208-L218 HydrophobicContact CG-CD1 3.86Å; S211-L218 PolarHBondContact OG-N 2.7Å; V216-L218 PolarHBondContact O-N 3.05Å; L218-L220 VanDerWaalsContact C-N 3.34Å; L218-L220 PolarHBondContact O-N 2.82Å; L218-V221 PolarHBondContact O-N 3Å; L218-R222 WeakPolarHBondContact O-CB 2.99Å; L218-R222 PolarHBondContact O-N 2.84Å
219N83.3Confident82.5Confident69 Ų6954.3 Ų54.337%0.36929%0.285SS..Hα-helixtrans-62.4-39.5177.6-73.1-51000112.6E217 R222 I223E217-N219 PolarHBondContact O-N 2.95Å; E217-N219 VanDerWaalsContact O-N 3.15Å; E217-N219 PolarHBondContact OE1-ND2 3.44Å; N219-R222 WeakPolarHBondContact O-CB 3.23Å; N219-R222 PolarHBondContact O-N 2.78Å; N219-R222 PolarHBondContact OD1-NH2 2.77Å; N219-I223 WeakPolarHBondContact O-CG1 3.32Å; N219-I223 PolarHBondContact O-N 2.85Å
220L82.5Confident82.6Confident82 Ų8252 Ų5243%0.42927%0.273SS..Hα-helixtrans-69.7-41177.9-65.5176.8000111V216 E217 L218 R222 I223 A224V216-L220 HydrophobicContact CG1-CB 3.85Å; V216-L220 HydrophobicContact CG1-CD1 4.28Å; E217-L220 HydrophobicContact CB-CD1 4.2Å; E217-L220 HydrophobicContact CB-CG 4.29Å; E217-L220 WeakPolarHBondContact O-CB 3.38Å; E217-L220 PolarHBondContact O-N 3.2Å; L218-L220 VanDerWaalsContact C-N 3.34Å; L218-L220 PolarHBondContact O-N 2.82Å; L220-R222 VanDerWaalsContact C-N 3.3Å; L220-R222 PolarHBondContact O-N 3.01Å; L220-I223 PolarHBondContact O-N 3.43Å; L220-A224 WeakPolarHBondContact O-CB 3.18Å; L220-A224 PolarHBondContact O-N 3.3Å
221V83.7Confident82.2Confident0 Ų058.5 Ų58.50%030%0.299CS..Hα-helixtrans-61.4-41.7173.8-176.40000110.5I197 I207 I210 V216 E217 L218 I223 A224 V225I197-V221 HydrophobicContact CD1-CB 4.22Å; I197-V221 HydrophobicContact CD1-CG1 4.09Å; I197-V221 HydrophobicContact CD1-CG2 4.01Å; I197-V221 HydrophobicContact CG1-CG1 4.49Å; I197-V221 HydrophobicContact CG1-CG2 4.38Å; I207-V221 HydrophobicContact CG2-CB 4.27Å; I207-V221 HydrophobicContact CG2-CG1 3.84Å; I210-V221 HydrophobicContact CG2-CG1 4.08Å; V216-V221 HydrophobicContact CB-CG2 3.88Å; V216-V221 HydrophobicContact CG1-CG2 3.82Å; E217-V221 PolarHBondContact O-N 3.24Å; E217-V221 VanDerWaalsContact O-N 3.1Å; L218-V221 PolarHBondContact O-N 3Å; V221-I223 PolarHBondContact O-N 3.04Å; V221-A224 PolarHBondContact O-N 2.91Å; V221-V225 HydrophobicContact CG1-CG2 4.24Å; V221-V225 WeakPolarHBondContact O-CB 3.44Å; V221-V225 VanDerWaalsContact O-CG2 3.3Å; V221-V225 WeakPolarHBondContact O-CG2 3.32Å; V221-V225 PolarHBondContact O-N 3.24Å
222R82.7Confident81.5Confident90 Ų9059.2 Ų59.234%0.3431%0.31SS..Hα-helixtrans-59.5-47.4176.6-173-179.762.4-175.7-5.2111.9V170 L218 N219 L220 V225 Q226V170-R222 HydrophobicContact CB-CG 4.04Å; V170-R222 WeakPolarHBondContact O-CD 3.37Å; V170-R222 WeakPolarHBondContact O-CG 3.49Å; L218-R222 WeakPolarHBondContact O-CB 2.99Å; L218-R222 PolarHBondContact O-N 2.84Å; N219-R222 WeakPolarHBondContact O-CB 3.23Å; N219-R222 PolarHBondContact O-N 2.78Å; N219-R222 PolarHBondContact OD1-NH2 2.77Å; L220-R222 VanDerWaalsContact C-N 3.3Å; L220-R222 PolarHBondContact O-N 3.01Å; R222-V225 PolarHBondContact O-N 2.91Å; R222-Q226 VanDerWaalsContact O-CB 3.26Å; R222-Q226 WeakPolarHBondContact O-CB 3.29Å; R222-Q226 PolarHBondContact O-N 2.9Å
223I82.3Confident80.9Confident83 Ų8355.7 Ų55.743%0.42628%0.279SS..Hα-helixtrans-65.7-42.4178.3-65.3163.4000110.7N219 L220 V221 Q226 N227N219-I223 WeakPolarHBondContact O-CG1 3.32Å; N219-I223 PolarHBondContact O-N 2.85Å; L220-I223 PolarHBondContact O-N 3.43Å; V221-I223 PolarHBondContact O-N 3.04Å; I223-Q226 WeakPolarHBondContact O-CB 3.44Å; I223-Q226 PolarHBondContact O-N 3.37Å; I223-N227 VanDerWaalsContact O-CG 3.27Å; I223-N227 PolarHBondContact O-N 3.11Å; I223-N227 PolarHBondContact O-ND2 3.35Å
224A83.3Confident80.4Confident8 Ų851.7 Ų51.77%0.06626%0.261CS..Hα-helixtrans-61.6-46.5177.800000111.6I197 L220 V221 Q226 N227 L228I197-A224 HydrophobicContact CD1-CB 3.67Å; L220-A224 WeakPolarHBondContact O-CB 3.18Å; L220-A224 PolarHBondContact O-N 3.3Å; V221-A224 PolarHBondContact O-N 2.91Å; A224-Q226 VanDerWaalsContact C-N 3.34Å; A224-Q226 PolarHBondContact O-N 3.15Å; A224-N227 PolarHBondContact O-N 2.94Å; A224-L228 WeakPolarHBondContact O-CG 3.44Å; A224-L228 PolarHBondContact O-N 2.81Å
225V81.8Confident79.7Confident0 Ų052.9 Ų52.90%027%0.267CS..Hα-helixtrans-65.9-37.2176.1175.30000111.3V170 P176 I207 V221 R222 N227 L228 L229 L236V170-V225 HydrophobicContact CG1-CG1 3.99Å; V170-V225 HydrophobicContact CG2-CG1 4.39Å; P176-V225 HydrophobicContact CB-CG1 4.06Å; P176-V225 HydrophobicContact CG-CG2 4.46Å; I207-V225 HydrophobicContact CD1-CG1 4.33Å; V221-V225 HydrophobicContact CG1-CG2 4.24Å; V221-V225 WeakPolarHBondContact O-CB 3.44Å; V221-V225 VanDerWaalsContact O-CG2 3.3Å; V221-V225 WeakPolarHBondContact O-CG2 3.32Å; V221-V225 PolarHBondContact O-N 3.24Å; R222-V225 PolarHBondContact O-N 2.91Å; V225-N227 VanDerWaalsContact C-N 3.33Å; V225-N227 PolarHBondContact O-N 3.38Å; V225-L228 PolarHBondContact O-N 3Å; V225-L229 WeakPolarHBondContact O-CB 3.45Å; V225-L229 PolarHBondContact O-N 3.24Å; V225-L236 HydrophobicContact CG1-CD2 3.76Å
226Q82.9Confident79Confident53 Ų5347.6 Ų47.625%0.24824%0.238CC..Hα-helixtrans-62.1-40.9174.4-170.5173-7.300111.8P167 V170 R222 I223 A224 L229 Y230P167-Q226 HydrophobicContact CB-CG 4.19Å; P167-Q226 HydrophobicContact CG-CG 3.45Å; P167-Q226 VanDerWaalsContact CG-CG 3.45Å; V170-Q226 HydrophobicContact CG2-CB 3.73Å; V170-Q226 HydrophobicContact CG2-CG 4.2Å; R222-Q226 VanDerWaalsContact O-CB 3.26Å; R222-Q226 WeakPolarHBondContact O-CB 3.29Å; R222-Q226 PolarHBondContact O-N 2.9Å; I223-Q226 WeakPolarHBondContact O-CB 3.44Å; I223-Q226 PolarHBondContact O-N 3.37Å; A224-Q226 VanDerWaalsContact C-N 3.34Å; A224-Q226 PolarHBondContact O-N 3.15Å; Q226-L229 WeakPolarHBondContact O-CB 3.34Å; Q226-L229 PolarHBondContact O-N 2.98Å; Q226-Y230 PolarHBondContact O-N 3.24Å
227N83.5Confident78.2Confident82 Ų8247.3 Ų47.344%0.43924%0.236SC..Hα-helixtrans-66.4-42.5174.4-70.3-19000111.2I223 A224 V225 L229 Y230 Y231I223-N227 VanDerWaalsContact O-CG 3.27Å; I223-N227 PolarHBondContact O-N 3.11Å; I223-N227 PolarHBondContact O-ND2 3.35Å; A224-N227 PolarHBondContact O-N 2.94Å; V225-N227 VanDerWaalsContact C-N 3.33Å; V225-N227 PolarHBondContact O-N 3.38Å; N227-L229 VanDerWaalsContact C-N 3.26Å; N227-L229 PolarHBondContact O-N 3.46Å; N227-Y230 WeakPolarHBondContact O-CB 3.47Å; N227-Y230 PolarHBondContact O-N 2.83Å; N227-Y230 VanDerWaalsContact O-N 3.15Å; N227-Y231 WeakPolarHBondContact O-CD2 3.09Å; N227-Y231 PolarHBondContact O-N 3.48Å
228L79.4Confident77.1Confident3 Ų343.1 Ų43.12%0.01622%0.221CC..Hα-helixtrans-61.9-35.7174.6-70.9173.8000112.4W190 T194 I201 A224 V225 Y231 G232 V233 V234W190-L228 HydrophobicContact CH2-CD2 4Å; W190-L228 HydrophobicContact CZ3-CD2 3.71Å; T194-L228 HydrophobicContact CG2-CD1 4.27Å; T194-L228 HydrophobicContact CG2-CD2 3.97Å; T194-L228 HydrophobicContact CG2-CG 4.43Å; I201-L228 HydrophobicContact CD1-CD1 4.09Å; A224-L228 WeakPolarHBondContact O-CG 3.44Å; A224-L228 PolarHBondContact O-N 2.81Å; V225-L228 PolarHBondContact O-N 3Å; L228-Y231 CarbonylContact O-C 3.53Å; L228-Y231 PolarHBondContact O-N 2.79Å; L228-G232 PolarHBondContact O-N 2.81Å; L228-G232 VanDerWaalsContact O-N 3.1Å; L228-V233 HydrophobicContact CD2-CB 4.37Å; L228-V233 HydrophobicContact CD2-CG1 4.42Å; L228-V233 PolarHBondContact O-N 2.78Å; L228-V234 HydrophobicContact CB-CB 4.14Å; L228-V234 HydrophobicContact CB-CG2 3.84Å; L228-V234 HydrophobicContact CD1-CG2 4.11Å
229L80.1Confident76.3Confident32 Ų3242.7 Ų42.717%0.16822%0.218CC..Hα-helixtrans-67.4-40.2173.3-178.761.4000111.5P167 P168 V170 V225 Q226 N227 Y231 G232 V234 L236P167-L229 HydrophobicContact CB-CB 4.27Å; P167-L229 HydrophobicContact CB-CD2 3.94Å; P167-L229 HydrophobicContact CB-CG 3.92Å; P168-L229 HydrophobicContact CG-CD2 3.81Å; V170-L229 HydrophobicContact CG2-CD2 4.46Å; V225-L229 WeakPolarHBondContact O-CB 3.45Å; V225-L229 PolarHBondContact O-N 3.24Å; Q226-L229 WeakPolarHBondContact O-CB 3.34Å; Q226-L229 PolarHBondContact O-N 2.98Å; N227-L229 VanDerWaalsContact C-N 3.26Å; N227-L229 PolarHBondContact O-N 3.46Å; L229-Y231 VanDerWaalsContact C-N 3.3Å; L229-Y231 PolarHBondContact O-N 2.86Å; L229-G232 PolarHBondContact O-N 2.93Å; L229-V234 WeakPolarHBondContact CD1-O 3.06Å; L229-L236 HydrophobicContact CD2-CD1 3.66Å; L229-L236 HydrophobicContact CD2-CG 4.01Å
230Y79.4Confident75.1Confident64 Ų6441.4 Ų41.425%0.25121%0.209SC..Hα-helixtrans-59.8-41.4172.7-174.8-105.7000112R164 P167 Q226 N227 G232R164-Y230 HydrophobicContact CB-CD2 4.13Å; R164-Y230 HydrophobicContact CB-CE1 4.37Å; R164-Y230 HydrophobicContact CB-CE2 3.63Å; R164-Y230 WeakPolarHBondContact CD-O 3.35Å; R164-Y230 PolarHBondContact N-OH 3.27Å; R164-Y230 PolarHBondContact NH1-O 3.48Å; R164-Y230 VanDerWaalsContact NH1-O 3.11Å; R164-Y230 WeakPolarHBondContact O-CE2 3.44Å; R164-Y230 PolarHBondContact O-OH 3.41Å; P167-Y230 HydrophobicContact CG-CD2 4.43Å; Q226-Y230 PolarHBondContact O-N 3.24Å; N227-Y230 WeakPolarHBondContact O-CB 3.47Å; N227-Y230 PolarHBondContact O-N 2.83Å; N227-Y230 VanDerWaalsContact O-N 3.15Å; Y230-G232 PolarHBondContact O-N 3.14Å
231Y74.4Confident74Confident137 Ų13740.2 Ų40.254%0.53720%0.201SC..THydrogen-bonded Turntrans-77-2.4175.1-69.5-67.8000114R164 N227 L228 L229 V233R164-Y231 PolarHBondContact NH1-O 3.36Å; N227-Y231 WeakPolarHBondContact O-CD2 3.09Å; N227-Y231 PolarHBondContact O-N 3.48Å; L228-Y231 CarbonylContact O-C 3.53Å; L228-Y231 PolarHBondContact O-N 2.79Å; L229-Y231 VanDerWaalsContact C-N 3.3Å; L229-Y231 PolarHBondContact O-N 2.86Å; Y231-V233 PolarHBondContact O-N 2.88Å
232G69.1Low72.6Confident35 Ų3543.8 Ų43.836%0.36122%0.215SC..THydrogen-bonded Turntrans70.11317600000114T179 L228 L229 Y230 V234T179-G232 PolarHBondContact OG1-O 3.25Å; L228-G232 PolarHBondContact O-N 2.81Å; L228-G232 VanDerWaalsContact O-N 3.1Å; L229-G232 PolarHBondContact O-N 2.93Å; Y230-G232 PolarHBondContact O-N 3.14Å; G232-V234 VanDerWaalsContact C-N 3.34Å
233V70.6Confident71.4Confident6 Ų640.9 Ų40.94%0.03621%0.209CC..SBendtrans-76.4-30.1-179.8-179.80000110.7F178 T179 F185 L228 Y231F178-V233 HydrophobicContact CD1-CG1 3.84Å; F178-V233 HydrophobicContact CE1-CG1 3.86Å; T179-V233 PolarHBondContact N-O 3.47Å; T179-V233 PolarHBondContact OG1-O 3.04Å; F185-V233 HydrophobicContact CE1-CG2 4.06Å; F185-V233 HydrophobicContact CE2-CG1 3.99Å; F185-V233 HydrophobicContact CZ-CB 4.48Å; F185-V233 HydrophobicContact CZ-CG1 3.94Å; F185-V233 HydrophobicContact CZ-CG2 3.87Å; L228-V233 HydrophobicContact CD2-CB 4.37Å; L228-V233 HydrophobicContact CD2-CG1 4.42Å; L228-V233 PolarHBondContact O-N 2.78Å; Y231-V233 PolarHBondContact O-N 2.88Å
234V71.9Confident70.4Confident1 Ų137.1 Ų37.11%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-128.7135.1-174.5174.40000109.7P176 V177 F178 L228 L229 G232P176-V234 HydrophobicContact CB-CG1 3.29Å; V177-V234 CarbonylContact O-C 3.53Å; V177-V234 WeakPolarHBondContact O-CA 3.47Å; F178-V234 HydrophobicContact CD1-CG2 3.91Å; F178-V234 HydrophobicContact CE1-CG2 3.81Å; L228-V234 HydrophobicContact CB-CB 4.14Å; L228-V234 HydrophobicContact CB-CG2 3.84Å; L228-V234 HydrophobicContact CD1-CG2 4.11Å; L229-V234 WeakPolarHBondContact CD1-O 3.06Å; G232-V234 VanDerWaalsContact C-N 3.34Å
235T67.7Low69.3Low39 Ų3936.9 Ų36.924%0.23919%0.188CC..EExtended strand (participates in β ladder)trans-102.5140.4163.648.70000110.4V177 T179V177-T235 PolarHBondContact N-O 2.91Å; V177-T235 PolarHBondContact O-N 3.34Å; V177-T235 PolarHBondContact O-OG1 3.12Å; T179-T235 HydrophobicContact CG2-CG2 3.32Å
236L68.5Low68.6Low45 Ų4536.9 Ų36.924%0.23619%0.188CC..EExtended strand (participates in β ladder)trans-83.4128.1172.7-61.9174.7000109.9V170 D174 V225 L229V170-L236 HydrophobicContact CB-CD1 4.13Å; V170-L236 HydrophobicContact CG1-CD1 3.84Å; V170-L236 HydrophobicContact CG1-CD2 3.7Å; V170-L236 HydrophobicContact CG1-CG 4.43Å; V170-L236 HydrophobicContact CG2-CD1 3.89Å; D174-L236 HydrophobicContact CB-CB 4.39Å; D174-L236 HydrophobicContact CB-CD2 4.06Å; V225-L236 HydrophobicContact CG1-CD2 3.76Å; L229-L236 HydrophobicContact CD2-CD1 3.66Å; L229-L236 HydrophobicContact CD2-CG 4.01Å
237V68.3Low67.3Low9 Ų935.4 Ų35.46%0.05518%0.183CC..EExtended strand (participates in β ladder)trans-118.4141.6174176.70000108V175 V177 L319 I320V175-V237 WeakPolarHBondContact CA-O 3.44Å; V175-V237 WeakPolarHBondContact CB-O 3.46Å; V175-V237 PolarHBondContact N-O 2.98Å; V175-V237 PolarHBondContact O-N 3.16Å; V177-V237 HydrophobicContact CB-CG2 4.29Å; V177-V237 HydrophobicContact CG2-CB 3.9Å; V177-V237 HydrophobicContact CG2-CG2 3.55Å; V237-L319 HydrophobicContact CG1-CB 3.56Å; V237-L319 HydrophobicContact CG1-CD1 3.4Å; V237-L319 VanDerWaalsContact CG1-CD1 3.4Å; V237-L319 HydrophobicContact CG1-CG 4.09Å; V237-L319 HydrophobicContact CG2-CB 4.33Å; V237-I320 HydrophobicContact CG2-CG1 3.89Å
238S61.8Low66.2Low31 Ų3134.3 Ų34.322%0.21718%0.179CC..EExtended strand (participates in β ladder)trans-68.7149.7175.6-48.10000111.5F240S238-F240 PolarHBondContact O-N 3.5Å
239I65.6Low65.4Low28 Ų2835.6 Ų35.614%0.14419%0.187CC..PPolyproline II helixtrans-51133.5177.6-169.7162.9000112.8V175 H206 Q241 N244 R326V175-I239 HydrophobicContact CG2-CB 4.36Å; H206-I239 HydrophobicContact CB-CD1 4.47Å; I239-Q241 HydrophobicContact CG1-CG 4.35Å; I239-Q241 HydrophobicContact CG2-CG 4.37Å; I239-Q241 PolarHBondContact O-N 3.4Å; I239-N244 PolarHBondContact O-ND2 3.11Å; I239-R326 PolarHBondContact O-NH1 2.92Å
240F58.4Low64.5Low42 Ų4239.1 Ų39.118%0.18421%0.212CC..PPolyproline II helixtrans-78117.8171.6178.9-86.8000109.7S238 Y242 V295 E311 R312 I315S238-F240 PolarHBondContact O-N 3.5Å; F240-Y242 HydrophobicContact CE1-CD1 4.19Å; F240-Y242 HydrophobicContact CE1-CD2 4.17Å; F240-Y242 AromaticContact CE1-CE1 3.9Å; F240-Y242 HydrophobicContact CE1-CE1 3.9Å; F240-Y242 AromaticContact CE1-CE2 3.86Å; F240-Y242 HydrophobicContact CE1-CE2 3.86Å; F240-Y242 HydrophobicContact CE1-CG 4.32Å; F240-Y242 AromaticContact CE1-CZ 3.71Å; F240-Y242 HydrophobicContact CZ-CD1 4.23Å; F240-Y242 AromaticContact CZ-CE1 3.94Å; F240-Y242 HydrophobicContact CZ-CE1 3.94Å; F240-V295 HydrophobicContact CE2-CG1 4.31Å; F240-V295 HydrophobicContact CZ-CG1 4.08Å; F240-E311 HydrophobicContact CZ-CG 4.36Å; F240-R312 HydrophobicContact CD1-CG 4.15Å; F240-R312 HydrophobicContact CE1-CG 3.83Å; F240-R312 HydrophobicContact CE2-CG 4.25Å; F240-R312 HydrophobicContact CZ-CG 3.88Å; F240-I315 HydrophobicContact CD2-CB 4.03Å; F240-I315 HydrophobicContact CD2-CD1 4.12Å; F240-I315 HydrophobicContact CD2-CG2 3.88Å; F240-I315 HydrophobicContact CE2-CB 4.05Å; F240-I315 HydrophobicContact CE2-CD1 3.46Å; F240-I315 VanDerWaalsContact CE2-CD1 3.46Å; F240-I315 HydrophobicContact CE2-CG1 4.25Å; F240-I315 HydrophobicContact CE2-CG2 4.31Å; F240-I315 HydrophobicContact CZ-CD1 4.43Å
241Q58.1Low63.6Low56 Ų5641.5 Ų41.526%0.26222%0.223SC..  trans-132140.7168.4-61.1-177.7-3.900108.9I239 S243 N244I239-Q241 HydrophobicContact CG1-CG 4.35Å; I239-Q241 HydrophobicContact CG2-CG 4.37Å; I239-Q241 PolarHBondContact O-N 3.4Å; Q241-S243 PolarHBondContact O-N 3.34Å; Q241-S243 VanDerWaalsContact O-N 3.16Å; Q241-N244 PolarHBondContact N-ND2 3.35Å; Q241-N244 VanDerWaalsContact N-ND2 3.14Å; Q241-N244 VanDerWaalsContact O-CB 3.26Å; Q241-N244 WeakPolarHBondContact O-CB 3.47Å; Q241-N244 PolarHBondContact O-N 2.61Å
242Y55.7Low63Low75 Ų7535.5 Ų35.529%0.29420%0.201SC..THydrogen-bonded Turntrans-63.7-19.5179.7-69.7-82000113.5F240 N244 V295 R296 E311 R312F240-Y242 HydrophobicContact CE1-CD1 4.19Å; F240-Y242 HydrophobicContact CE1-CD2 4.17Å; F240-Y242 AromaticContact CE1-CE1 3.9Å; F240-Y242 HydrophobicContact CE1-CE1 3.9Å; F240-Y242 AromaticContact CE1-CE2 3.86Å; F240-Y242 HydrophobicContact CE1-CE2 3.86Å; F240-Y242 HydrophobicContact CE1-CG 4.32Å; F240-Y242 AromaticContact CE1-CZ 3.71Å; F240-Y242 HydrophobicContact CZ-CD1 4.23Å; F240-Y242 AromaticContact CZ-CE1 3.94Å; F240-Y242 HydrophobicContact CZ-CE1 3.94Å; Y242-N244 VanDerWaalsContact C-N 3.33Å; Y242-V295 HydrophobicContact CD1-CG1 4.11Å; Y242-V295 PolarHBondContact O-N 2.93Å; Y242-R296 PolarHBondContact O-N 3.32Å; Y242-E311 VanDerWaalsContact CE1-OE1 3.23Å; Y242-E311 WeakPolarHBondContact CE1-OE1 3.31Å; Y242-E311 VanDerWaalsContact CZ-OE1 3.32Å; Y242-E311 PolarHBondContact OH-OE1 3.02Å; Y242-R312 PolarHBondContact OH-NE 2.92Å; Y242-R312 PolarHBondContact OH-NH2 3.05Å
243S56.4Low62.6Low29 Ų2940.1 Ų40.120%0.20321%0.213CC..THydrogen-bonded Turntrans-82.1-8.6175.2-50.40000113.6Q241Q241-S243 PolarHBondContact O-N 3.34Å; Q241-S243 VanDerWaalsContact O-N 3.16Å
244N62.5Low62.1Low4 Ų442 Ų422%0.02123%0.227CC..  trans-70.6146.2-178.3-69.9-21.4000111.7I239 Q241 Y242 Y246 V295 R326I239-N244 PolarHBondContact O-ND2 3.11Å; Q241-N244 PolarHBondContact N-ND2 3.35Å; Q241-N244 VanDerWaalsContact N-ND2 3.14Å; Q241-N244 VanDerWaalsContact O-CB 3.26Å; Q241-N244 WeakPolarHBondContact O-CB 3.47Å; Q241-N244 PolarHBondContact O-N 2.61Å; Y242-N244 VanDerWaalsContact C-N 3.33Å; N244-Y246 HydrophobicContact CB-CD2 4.21Å; N244-Y246 HydrophobicContact CB-CE2 3.5Å; N244-Y246 VanDerWaalsContact CB-CE2 3.5Å; N244-Y246 PolarHBondContact ND2-OH 3.18Å; N244-V295 PolarHBondContact O-N 3.02Å; N244-R326 VanDerWaalsContact CG-CZ 3.43Å; N244-R326 VanDerWaalsContact CG-NH2 3.31Å; N244-R326 PolarHBondContact ND2-NE 3.46Å; N244-R326 VanDerWaalsContact ND2-NE 3.11Å; N244-R326 PolarHBondContact ND2-NH2 2.94Å; N244-R326 VanDerWaalsContact OD1-CZ 3.28Å; N244-R326 PolarHBondContact OD1-NE 3.35Å; N244-R326 PolarHBondContact OD1-NH2 3.37Å
245V60.1Low61.6Low4 Ų442.8 Ų42.82%0.02423%0.231CC..EExtended strand (participates in β ladder)trans-105.5132.8170.6-179.20000108.3T294 L327 W380V245-T294 HydrophobicContact CG2-CG2 4.31Å; V245-L327 HydrophobicContact CG1-CD1 4.18Å; V245-L327 PolarHBondContact O-N 3.11Å; V245-W380 HydrophobicContact CB-CH2 4.19Å; V245-W380 HydrophobicContact CB-CZ3 3.68Å; V245-W380 HydrophobicContact CG1-CZ3 4.39Å; V245-W380 HydrophobicContact CG2-CH2 3.57Å; V245-W380 HydrophobicContact CG2-CZ3 3.6Å
246Y65.3Low61.4Low0 Ų045.3 Ų45.30%024%0.242CC..EExtended strand (participates in β ladder)trans-123.9133.2-175.9-73.1-71.7000108.1N244 V295 I315 L319 I324 R326N244-Y246 HydrophobicContact CB-CD2 4.21Å; N244-Y246 HydrophobicContact CB-CE2 3.5Å; N244-Y246 VanDerWaalsContact CB-CE2 3.5Å; N244-Y246 PolarHBondContact ND2-OH 3.18Å; Y246-V295 HydrophobicContact CD2-CG2 3.32Å; Y246-V295 HydrophobicContact CE2-CG2 3.36Å; Y246-I315 HydrophobicContact CD1-CG2 4.48Å; Y246-I315 HydrophobicContact CD2-CD1 4.14Å; Y246-I315 HydrophobicContact CE1-CG2 3.91Å; Y246-I315 HydrophobicContact CE2-CD1 3.99Å; Y246-I315 HydrophobicContact CE2-CG2 3.96Å; Y246-L319 HydrophobicContact CD1-CD2 4.28Å; Y246-L319 HydrophobicContact CE1-CD1 3.86Å; Y246-L319 HydrophobicContact CE1-CD2 4.04Å; Y246-L319 HydrophobicContact CE1-CG 4.35Å; Y246-I324 VanDerWaalsContact CB-CG2 3.43Å; Y246-I324 HydrophobicContact CD1-CG2 3.55Å; Y246-I324 HydrophobicContact CG-CG2 3.82Å; Y246-R326 HydrophobicContact CD1-CB 3.9Å; Y246-R326 HydrophobicContact CD1-CG 4.16Å; Y246-R326 HydrophobicContact CE1-CB 3.76Å; Y246-R326 HydrophobicContact CE1-CG 3.83Å
247C56.4Low61.2Low22 Ų2249.2 Ų49.215%0.14926%0.263CS..EExtended strand (participates in β ladder)trans-107.9138.1174-850000110.5I324 R325 L327C247-I324 CarbonylContact O-C 3.54Å; C247-I324 WeakPolarHBondContact O-CA 3.47Å; C247-R325 PolarHBondContact N-O 3.23Å; C247-R325 PolarHBondContact O-N 3.38Å; C247-L327 HydrophobicContact CB-CD1 4.24Å; C247-L327 HydrophobicContact CB-CG 4.46Å; C247-L327 WeakPolarHBondContact SG-CD1 3.21Å
248T59.5Low61.3Low58 Ų5852.3 Ų52.336%0.35628%0.279SS..EExtended strand (participates in β ladder)trans-68.6137167.644.10000110.7V252 Y286 L289T248-V252 HydrophobicContact CG2-CG2 3.99Å; T248-Y286 HydrophobicContact CG2-CD1 4.47Å; T248-Y286 WeakPolarHBondContact CG2-O 3.4Å; T248-L289 HydrophobicContact CG2-CB 4.15Å
249T63.1Low61.5Low30 Ų3058.6 Ų58.618%0.18430%0.303CS..  trans-93.4158.8169.666.30000109.2K251 V252 S322 L323 R325T249-K251 PolarHBondContact O-N 2.94Å; T249-V252 WeakPolarHBondContact O-CG2 3Å; T249-V252 PolarHBondContact O-N 3.12Å; T249-S322 PolarHBondContact OG1-O 3.13Å; T249-L323 PolarHBondContact N-O 3.25Å; T249-L323 VanDerWaalsContact OG1-C 3.29Å; T249-L323 WeakPolarHBondContact OG1-CA 3.49Å; T249-L323 PolarHBondContact OG1-O 2.96Å; T249-R325 HydrophobicContact CG2-CB 3.92Å
250P61.7Low61.5Low106 Ų10661.3 Ų61.369%0.68832%0.324SS*.G310 helixtrans-59.7-14.5175.423.6-34.4000113.5V252 Q253P250-V252 PolarHBondContact O-N 2.7Å; P250-Q253 WeakPolarHBondContact O-CB 3.48Å; P250-Q253 PolarHBondContact O-N 3.28Å
251K60.4Low61.9Low114 Ų11461.1 Ų61.150%0.49633%0.325SS..G310 helixtrans-66-10.9172.6-61.9-175.1174.9-176.30113.7T249 Q253 S254 L255 L323T249-K251 PolarHBondContact O-N 2.94Å; K251-Q253 PolarHBondContact O-N 2.7Å; K251-S254 PolarHBondContact O-N 3.44Å; K251-S254 VanDerWaalsContact O-N 3.13Å; K251-S254 PolarHBondContact O-OG 3.22Å; K251-L255 PolarHBondContact O-N 3.11Å; K251-L323 HydrophobicContact CB-CD2 4.15Å; K251-L323 WeakPolarHBondContact O-CD2 3.31Å
252V62.2Low62.2Low11 Ų1159.9 Ų59.97%0.06732%0.319CS..G310 helixtrans-64.3-19.3168.3-178.60000111.3T248 T249 P250 L255 F283 Y286 L323T248-V252 HydrophobicContact CG2-CG2 3.99Å; T249-V252 WeakPolarHBondContact O-CG2 3Å; T249-V252 PolarHBondContact O-N 3.12Å; P250-V252 PolarHBondContact O-N 2.7Å; V252-L255 HydrophobicContact CG1-CD1 4.45Å; V252-L255 WeakPolarHBondContact O-CB 3.29Å; V252-F283 HydrophobicContact CG1-CD2 4.19Å; V252-F283 HydrophobicContact CG1-CE2 3.84Å; V252-Y286 HydrophobicContact CG1-CG 4.47Å; V252-L323 HydrophobicContact CG2-CB 4.13Å; V252-L323 WeakPolarHBondContact CG2-O 3.48Å
253Q60.1Low62.7Low133 Ų13361.2 Ų61.262%0.62133%0.331SS*.THydrogen-bonded Turntrans-72.6-37.1171.3-63.5178-4.100111.9P250 K251 L255 I256P250-Q253 WeakPolarHBondContact O-CB 3.48Å; P250-Q253 PolarHBondContact O-N 3.28Å; K251-Q253 PolarHBondContact O-N 2.7Å; Q253-L255 PolarHBondContact O-N 3.39Å; Q253-I256 WeakPolarHBondContact O-CA 3.42Å; Q253-I256 VanDerWaalsContact O-CB 3.27Å; Q253-I256 WeakPolarHBondContact O-CB 3.3Å; Q253-I256 PolarHBondContact O-N 3.31Å
254S61Low63.2Low46 Ų4663.9 Ų63.932%0.32234%0.341SS..Hα-helixtrans-68.1-19.6176.463.40000113K251 I256 D257 D258K251-S254 PolarHBondContact O-N 3.44Å; K251-S254 VanDerWaalsContact O-N 3.13Å; K251-S254 PolarHBondContact O-OG 3.22Å; S254-I256 PolarHBondContact O-N 2.95Å; S254-D257 PolarHBondContact O-N 3.41Å; S254-D258 PolarHBondContact O-N 3.48Å; S254-D258 VanDerWaalsContact O-N 3.1Å
255L61.1Low63.2Low17 Ų1763.8 Ų63.89%0.08934%0.34CS..Hα-helixtrans-64.2-25.5166.6-92.7174000113K251 V252 Q253 L261 Q262 Y286 F317 L323K251-L255 PolarHBondContact O-N 3.11Å; V252-L255 HydrophobicContact CG1-CD1 4.45Å; V252-L255 WeakPolarHBondContact O-CB 3.29Å; Q253-L255 PolarHBondContact O-N 3.39Å; L255-L261 HydrophobicContact CD2-CB 4.38Å; L255-Q262 WeakPolarHBondContact O-CG 3.15Å; L255-Q262 PolarHBondContact O-NE2 2.73Å; L255-Y286 HydrophobicContact CD1-CE2 4.18Å; L255-F317 HydrophobicContact CD2-CE1 4.39Å; L255-L323 HydrophobicContact CD1-CD1 3.32Å; L255-L323 HydrophobicContact CD1-CD2 3.74Å; L255-L323 HydrophobicContact CD1-CG 4.03Å; L255-L323 HydrophobicContact CD2-CD1 4.04Å; L255-L323 HydrophobicContact CG-CD1 3.72Å; L255-L323 HydrophobicContact CG-CD2 3.65Å; L255-L323 HydrophobicContact CG-CG 4.3Å
256I62.8Low63.4Low92 Ų9264.7 Ų64.747%0.47235%0.345SS..Hα-helixtrans-78.7-33.9178.2-55175000110.1Q253 S254 Q262 F283Q253-I256 WeakPolarHBondContact O-CA 3.42Å; Q253-I256 VanDerWaalsContact O-CB 3.27Å; Q253-I256 WeakPolarHBondContact O-CB 3.3Å; Q253-I256 PolarHBondContact O-N 3.31Å; S254-I256 PolarHBondContact O-N 2.95Å; I256-Q262 VanDerWaalsContact C-NE2 3.32Å; I256-Q262 PolarHBondContact O-NE2 3.13Å; I256-F283 HydrophobicContact CD1-CD2 4.47Å; I256-F283 HydrophobicContact CD1-CE2 3.61Å; I256-F283 HydrophobicContact CD1-CZ 3.85Å; I256-F283 HydrophobicContact CG1-CD2 4.4Å; I256-F283 HydrophobicContact CG1-CE2 3.92Å
257D64.1Low63.2Low126 Ų12668.9 Ų68.967%0.67437%0.374SS*.Hα-helixtrans-81.5-38-175.4-60.3-32.8000112.4S254 K259S254-D257 PolarHBondContact O-N 3.41Å; D257-K259 PolarHBondContact O-N 3.24Å
258D70.6Confident63.6Low75 Ų7571.7 Ų71.740%0.40138%0.382SS..  trans-92.6102.5-175.4-77-33.1000113.5S254 S260 L261 Q262S254-D258 PolarHBondContact O-N 3.48Å; S254-D258 VanDerWaalsContact O-N 3.1Å; D258-S260 VanDerWaalsContact C-N 3.33Å; D258-S260 PolarHBondContact O-N 2.94Å; D258-L261 HydrophobicContact CB-CB 3.97Å; D258-L261 HydrophobicContact CB-CD1 3.83Å; D258-L261 HydrophobicContact CB-CG 4.01Å; D258-L261 PolarHBondContact O-N 2.64Å; D258-Q262 WeakPolarHBondContact O-CG 3.2Å; D258-Q262 PolarHBondContact O-N 2.95Å
259K67.3Low63.6Low162 Ų16269 Ų6970%0.70437%0.366SS*.Hα-helixtrans-62.6-32.3176.7-71.3-176.8179.1175.80114.3D257 Q262 D263D257-K259 PolarHBondContact O-N 3.24Å; K259-Q262 WeakPolarHBondContact O-CB 3.17Å; K259-Q262 PolarHBondContact O-N 3.09Å; K259-D263 PolarHBondContact O-N 2.94Å
260S64.8Low63.3Low86 Ų8668.3 Ų68.360%0.60136%0.362SS*.Hα-helixtrans-69.1-40.2177.953.60000112.2D258 Q262 D263 E264D258-S260 VanDerWaalsContact C-N 3.33Å; D258-S260 PolarHBondContact O-N 2.94Å; S260-Q262 VanDerWaalsContact C-N 3.33Å; S260-D263 PolarHBondContact O-N 3.45Å; S260-E264 WeakPolarHBondContact O-CB 3.33Å; S260-E264 PolarHBondContact O-N 3.02Å
261L65.8Low63Low37 Ų3766.3 Ų66.319%0.19434%0.343CS..Hα-helixtrans-69.1-33.4174.3-71.4178.5000111.6L255 D258 C265 K321L255-L261 HydrophobicContact CD2-CB 4.38Å; D258-L261 HydrophobicContact CB-CB 3.97Å; D258-L261 HydrophobicContact CB-CD1 3.83Å; D258-L261 HydrophobicContact CB-CG 4.01Å; D258-L261 PolarHBondContact O-N 2.64Å; L261-C265 WeakPolarHBondContact O-CB 3.44Å; L261-C265 PolarHBondContact O-N 3.16Å; L261-K321 HydrophobicContact CD2-CD 4.1Å
262Q65.5Low62.3Low30 Ų3069.6 Ų69.614%0.1436%0.36CS..Hα-helixtrans-60.6-49.3171.3-72.8171.98.900111.1L255 I256 D258 K259 S260 C265 L266 L279L255-Q262 WeakPolarHBondContact O-CG 3.15Å; L255-Q262 PolarHBondContact O-NE2 2.73Å; I256-Q262 VanDerWaalsContact C-NE2 3.32Å; I256-Q262 PolarHBondContact O-NE2 3.13Å; D258-Q262 WeakPolarHBondContact O-CG 3.2Å; D258-Q262 PolarHBondContact O-N 2.95Å; K259-Q262 WeakPolarHBondContact O-CB 3.17Å; K259-Q262 PolarHBondContact O-N 3.09Å; S260-Q262 VanDerWaalsContact C-N 3.33Å; Q262-C265 WeakPolarHBondContact O-CB 3.47Å; Q262-C265 PolarHBondContact O-N 2.8Å; Q262-L266 WeakPolarHBondContact O-CB 3.16Å; Q262-L266 WeakPolarHBondContact O-CG 3.23Å; Q262-L266 PolarHBondContact O-N 3.04Å; Q262-L279 HydrophobicContact CB-CD1 4.31Å; Q262-L279 HydrophobicContact CB-CD2 3.88Å; Q262-L279 HydrophobicContact CG-CD1 4.24Å; Q262-L279 HydrophobicContact CG-CD2 3.95Å
263D65.7Low61.6Low103 Ų10372.9 Ų72.955%0.55140%0.396SS*.Hα-helixtrans-66.8-37.8180-72.3-30000112.3K259 S260 S267K259-D263 PolarHBondContact O-N 2.94Å; S260-D263 PolarHBondContact O-N 3.45Å; D263-S267 VanDerWaalsContact O-CB 3.32Å; D263-S267 WeakPolarHBondContact O-CB 3.3Å; D263-S267 PolarHBondContact O-N 2.97Å; D263-S267 PolarHBondContact O-OG 3.3Å
264E66.9Low61.2Low85 Ų8572.1 Ų72.140%0.39739%0.393SS..Hα-helixtrans-63.6-44.5172.5-163.3-170.6157.300111.1S260 S267 Y268 F317 K321S260-E264 WeakPolarHBondContact O-CB 3.33Å; S260-E264 PolarHBondContact O-N 3.02Å; E264-S267 WeakPolarHBondContact CA-OG 3.41Å; E264-S267 PolarHBondContact O-OG 3.39Å; E264-Y268 VanDerWaalsContact O-CB 3.22Å; E264-Y268 WeakPolarHBondContact O-CB 3.37Å; E264-Y268 PolarHBondContact O-N 3.16Å; E264-F317 HydrophobicContact CB-CE2 4.39Å; E264-F317 HydrophobicContact CB-CZ 4.47Å; E264-F317 HydrophobicContact CG-CE2 4.06Å; E264-K321 WeakPolarHBondContact OE1-CE 3.4Å; E264-K321 IonicContact OE1-NZ 2.88Å; E264-K321 PolarHBondContact OE1-NZ 3.32Å; E264-K321 IonicContact OE2-NZ 2.82Å; E264-K321 PolarHBondContact OE2-NZ 3.05Å
265C63.2Low60.5Low3 Ų379 Ų792%0.0242%0.417CS..Hα-helixtrans-62.5-48.7176.1-172.50000110.9L261 Q262 S267 Y268 V269 F317L261-C265 WeakPolarHBondContact O-CB 3.44Å; L261-C265 PolarHBondContact O-N 3.16Å; Q262-C265 WeakPolarHBondContact O-CB 3.47Å; Q262-C265 PolarHBondContact O-N 2.8Å; C265-S267 PolarHBondContact O-N 3.41Å; C265-Y268 PolarHBondContact O-N 2.95Å; C265-V269 WeakPolarHBondContact O-CB 3.46Å; C265-V269 WeakPolarHBondContact O-CG2 3.32Å; C265-V269 PolarHBondContact O-N 2.97Å; C265-F317 HydrophobicContact CB-CD1 3.94Å; C265-F317 HydrophobicContact CB-CE1 3.35Å; C265-F317 HydrophobicContact CB-CE2 4.32Å; C265-F317 HydrophobicContact CB-CZ 3.56Å; C265-F317 VanDerWaalsContact SG-CD1 3.55Å; C265-F317 VanDerWaalsContact SG-CE1 3.54Å
266L63.6Low60.1Low22 Ų2288.3 Ų88.312%0.11545%0.451CS..Hα-helixtrans-64.4-40.4-178.9-72.7179.6000112.3Q262 S270 A277 L279 V282Q262-L266 WeakPolarHBondContact O-CB 3.16Å; Q262-L266 WeakPolarHBondContact O-CG 3.23Å; Q262-L266 PolarHBondContact O-N 3.04Å; L266-S270 WeakPolarHBondContact O-CB 2.79Å; L266-S270 PolarHBondContact O-N 2.83Å; L266-S270 PolarHBondContact O-OG 2.96Å; L266-A277 HydrophobicContact CD2-CB 4.46Å; L266-A277 WeakPolarHBondContact CD2-O 3.38Å; L266-L279 HydrophobicContact CD1-CD2 3.71Å; L266-L279 HydrophobicContact CD1-CG 3.89Å; L266-L279 HydrophobicContact CD2-CD2 3.75Å; L266-L279 HydrophobicContact CD2-CG 4.24Å; L266-L279 HydrophobicContact CG-CD2 3.65Å; L266-L279 HydrophobicContact CG-CG 4.3Å; L266-V282 HydrophobicContact CD2-CG2 4.47Å
267S61.6Low59.7Low89 Ų8984.1 Ų84.162%0.62243%0.43SS*.Hα-helixtrans-68.6-35.4176.456.90000112.3D263 E264 C265D263-S267 VanDerWaalsContact O-CB 3.32Å; D263-S267 WeakPolarHBondContact O-CB 3.3Å; D263-S267 PolarHBondContact O-N 2.97Å; D263-S267 PolarHBondContact O-OG 3.3Å; E264-S267 WeakPolarHBondContact CA-OG 3.41Å; E264-S267 PolarHBondContact O-OG 3.39Å; C265-S267 PolarHBondContact O-N 3.41Å
268Y63.9Low59.5Low81 Ų8180.3 Ų80.332%0.31841%0.413SS..Hα-helixtrans-76.2-36.6178.1-160.7-95.8000113.2E264 C265 R313 Q316 F317E264-Y268 VanDerWaalsContact O-CB 3.22Å; E264-Y268 WeakPolarHBondContact O-CB 3.37Å; E264-Y268 PolarHBondContact O-N 3.16Å; C265-Y268 PolarHBondContact O-N 2.95Å; Y268-R313 HydrophobicContact CD1-CB 3.98Å; Y268-R313 HydrophobicContact CE1-CB 3.9Å; Y268-R313 HydrophobicContact CE1-CG 4.24Å; Y268-R313 VanDerWaalsContact O-CD 3.26Å; Y268-R313 WeakPolarHBondContact O-CD 3.23Å; Y268-Q316 PolarHBondContact OH-NE2 3.49Å; Y268-Q316 PolarHBondContact OH-OE1 3.26Å; Y268-F317 HydrophobicContact CD1-CB 3.94Å; Y268-F317 HydrophobicContact CD1-CD2 4.17Å; Y268-F317 HydrophobicContact CD1-CG 4.49Å; Y268-F317 HydrophobicContact CE1-CB 4.43Å; Y268-F317 HydrophobicContact CG-CD2 4.2Å
269V59.4Low59.1Low0 Ų080.3 Ų80.30%041%0.413CS..Hα-helixtrans-87.6-24.2-173.41760000112.7C265 K271 V282 V309 D310 L314C265-V269 WeakPolarHBondContact O-CB 3.46Å; C265-V269 WeakPolarHBondContact O-CG2 3.32Å; C265-V269 PolarHBondContact O-N 2.97Å; V269-K271 PolarHBondContact O-N 2.88Å; V269-V282 HydrophobicContact CG1-CG2 4.24Å; V269-V309 HydrophobicContact CG1-CB 4.17Å; V269-V309 HydrophobicContact CG1-CG1 3.42Å; V269-V309 VanDerWaalsContact CG1-CG1 3.42Å; V269-V309 HydrophobicContact CG1-CG2 4.03Å; V269-D310 PolarHBondContact O-N 3.43Å; V269-D310 VanDerWaalsContact O-N 3.15Å; V269-L314 HydrophobicContact CG1-CB 4.1Å; V269-L314 HydrophobicContact CG1-CD1 4.1Å; V269-L314 HydrophobicContact CG1-CG 4.47Å; V269-L314 HydrophobicContact CG2-CB 4.26Å
270S58.3Low59Low17 Ų1781.3 Ų81.312%0.11941%0.412CS..BIsolated β-bridgetrans-71.3127.8177.5-62.50000111L266 Q272 A277L266-S270 WeakPolarHBondContact O-CB 2.79Å; L266-S270 PolarHBondContact O-N 2.83Å; L266-S270 PolarHBondContact O-OG 2.96Å; S270-Q272 PolarHBondContact O-N 2.82Å; S270-A277 PolarHBondContact OG-N 2.82Å
271K55.8Low59.1Low64 Ų6478.2 Ų78.228%0.27839%0.389SS..  trans-60134.2170.8-82.7171.3177164.80110.3V269 G273 Q274 L306 D310V269-K271 PolarHBondContact O-N 2.88Å; K271-G273 PolarHBondContact O-N 3.46Å; K271-Q274 PolarHBondContact O-N 2.6Å; K271-L306 PolarHBondContact NZ-O 3.41Å; K271-D310 WeakPolarHBondContact CE-OD1 3.49Å; K271-D310 HydrophobicContact CG-CB 4.34Å; K271-D310 VanDerWaalsContact CG-OD1 3.23Å; K271-D310 WeakPolarHBondContact CG-OD1 3.26Å; K271-D310 VanDerWaalsContact CG-OD2 3.27Å; K271-D310 WeakPolarHBondContact CG-OD2 3.22Å; K271-D310 IonicContact NZ-OD1 3.99Å
272Q45.5Very low59.2Low182 Ų18276.8 Ų76.885%0.8538%0.381SS*.THydrogen-bonded Turntrans-62.4104.3172.3-70.6-177.9-8.100108.8S270S270-Q272 PolarHBondContact O-N 2.82Å
273G47.8Very low59.3Low81 Ų8179.2 Ų79.284%0.83539%0.392SS*.THydrogen-bonded Turntrans118.8-1.4177.800000116.8K271K271-G273 PolarHBondContact O-N 3.46Å
274Q51.2Low59.5Low117 Ų11777.6 Ų77.655%0.54738%0.381SS..SBendtrans-126.2157.1171-72.6-162.52.300113.1K271 R276 Q307K271-Q274 PolarHBondContact O-N 2.6Å; Q274-R276 PolarHBondContact O-N 3.06Å; Q274-Q307 PolarHBondContact OE1-O 2.8Å
275K46.7Very low59.6Low189 Ų18973.8 Ų73.882%0.82236%0.363SS*.  trans-51.1134.2-177.6-75.3-179.4177.21780110.6A277K275-A277 PolarHBondContact O-N 2.87Å
276R51.4Low59.8Low214 Ų21473.7 Ų73.781%0.80836%0.362SS*.  trans-38.8125.9178.3-68.2-178.2175.6-179.1-2.8110.7Q274Q274-R276 PolarHBondContact O-N 3.06Å
277A55.3Low59.9Low3 Ų375.9 Ų75.93%0.02538%0.379CS..  trans-55141.3173.400000109.5L266 S270 K275 V282 V309L266-A277 HydrophobicContact CD2-CB 4.46Å; L266-A277 WeakPolarHBondContact CD2-O 3.38Å; S270-A277 PolarHBondContact OG-N 2.82Å; K275-A277 PolarHBondContact O-N 2.87Å; A277-V282 HydrophobicContact CB-CG2 4.09Å; A277-V309 HydrophobicContact CB-CG2 3.49Å; A277-V309 VanDerWaalsContact CB-CG2 3.49Å
278S60.1Low59.9Low47 Ų4772.2 Ų72.233%0.32936%0.355SS..  trans-79.8141.6175.878.60000109.3R280 D281 V282S278-R280 PolarHBondContact O-N 3.13Å; S278-R280 VanDerWaalsContact O-N 3.1Å; S278-D281 PolarHBondContact O-N 2.94Å; S278-D281 PolarHBondContact OG-N 3.45Å; S278-D281 VanDerWaalsContact OG-N 3.11Å; S278-D281 PolarHBondContact OG-OD2 2.85Å; S278-V282 PolarHBondContact O-N 3.42Å; S278-V282 VanDerWaalsContact O-N 3.1Å
279L62.1Low60Low74 Ų7468.4 Ų68.439%0.38734%0.34SS..Hα-helixtrans-53.6-31.3173.7-70.4172.6000111.6Q262 L266 F283Q262-L279 HydrophobicContact CB-CD1 4.31Å; Q262-L279 HydrophobicContact CB-CD2 3.88Å; Q262-L279 HydrophobicContact CG-CD1 4.24Å; Q262-L279 HydrophobicContact CG-CD2 3.95Å; L266-L279 HydrophobicContact CD1-CD2 3.71Å; L266-L279 HydrophobicContact CD1-CG 3.89Å; L266-L279 HydrophobicContact CD2-CD2 3.75Å; L266-L279 HydrophobicContact CD2-CG 4.24Å; L266-L279 HydrophobicContact CG-CD2 3.65Å; L266-L279 HydrophobicContact CG-CG 4.3Å; L279-F283 WeakPolarHBondContact O-CB 3.42Å; L279-F283 PolarHBondContact O-N 3.2Å
280R64.4Low60Low183 Ų18371.2 Ų71.269%0.69136%0.36SS*.Hα-helixtrans-65.1-43.8176.2-165.9178.4-141.5-115.12.8112.4S278 Q284S278-R280 PolarHBondContact O-N 3.13Å; S278-R280 VanDerWaalsContact O-N 3.1Å; R280-Q284 WeakPolarHBondContact O-CB 3.23Å; R280-Q284 VanDerWaalsContact O-CG 3.25Å; R280-Q284 WeakPolarHBondContact O-CG 3.31Å; R280-Q284 PolarHBondContact O-N 3.5Å
281D67.4Low60Low22 Ų2275.4 Ų75.412%0.11839%0.387CS..Hα-helixtrans-67-43.2177.8-63.7-41.5000110.6S278 Q284 L285 Q305S278-D281 PolarHBondContact O-N 2.94Å; S278-D281 PolarHBondContact OG-N 3.45Å; S278-D281 VanDerWaalsContact OG-N 3.11Å; S278-D281 PolarHBondContact OG-OD2 2.85Å; D281-Q284 PolarHBondContact O-N 2.87Å; D281-L285 VanDerWaalsContact O-CG 3.27Å; D281-L285 WeakPolarHBondContact O-CG 3.21Å; D281-L285 PolarHBondContact O-N 3.38Å; D281-Q305 HydrophobicContact CB-CB 4.5Å; D281-Q305 HydrophobicContact CB-CG 4.19Å; D281-Q305 PolarHBondContact OD1-NE2 3.36Å
282V68.2Low60Low6 Ų675 Ų754%0.03640%0.401CS..Hα-helixtrans-64.2-43.8177.31750000111L266 V269 A277 S278 L285 Y286 V309 L314L266-V282 HydrophobicContact CD2-CG2 4.47Å; V269-V282 HydrophobicContact CG1-CG2 4.24Å; A277-V282 HydrophobicContact CB-CG2 4.09Å; S278-V282 PolarHBondContact O-N 3.42Å; S278-V282 VanDerWaalsContact O-N 3.1Å; V282-L285 WeakPolarHBondContact O-CB 3.5Å; V282-L285 PolarHBondContact O-N 3.18Å; V282-Y286 HydrophobicContact CG1-CD2 3.71Å; V282-Y286 HydrophobicContact CG1-CE2 3.4Å; V282-Y286 VanDerWaalsContact CG1-CE2 3.4Å; V282-Y286 WeakPolarHBondContact O-CD2 3.5Å; V282-Y286 PolarHBondContact O-N 2.84Å; V282-V309 HydrophobicContact CG2-CG2 4.33Å; V282-L314 HydrophobicContact CG1-CD1 4.16Å
283F67.9Low60.8Low81 Ų8167.7 Ų67.736%0.35537%0.368SS..Hα-helixtrans-66.8-38.9177.4-169-98.4000112.2V252 I256 L279 L285 Y286 C287V252-F283 HydrophobicContact CG1-CD2 4.19Å; V252-F283 HydrophobicContact CG1-CE2 3.84Å; I256-F283 HydrophobicContact CD1-CD2 4.47Å; I256-F283 HydrophobicContact CD1-CE2 3.61Å; I256-F283 HydrophobicContact CD1-CZ 3.85Å; I256-F283 HydrophobicContact CG1-CD2 4.4Å; I256-F283 HydrophobicContact CG1-CE2 3.92Å; L279-F283 WeakPolarHBondContact O-CB 3.42Å; L279-F283 PolarHBondContact O-N 3.2Å; F283-L285 VanDerWaalsContact C-N 3.33Å; F283-L285 PolarHBondContact O-N 3.37Å; F283-Y286 PolarHBondContact O-N 3.04Å; F283-C287 WeakPolarHBondContact CE1-SG 3.42Å; F283-C287 WeakPolarHBondContact O-CB 3.03Å; F283-C287 PolarHBondContact O-N 2.95Å; F283-C287 PolarHBondContact O-SG 2.78Å; F283-C287 VanDerWaalsContact O-SG 3.34Å
284Q68.1Low61.7Low70 Ų7065.4 Ų65.433%0.32734%0.339SS..Hα-helixtrans-62.5-39.9172.8-78.9-179-8.900112R280 D281 C287 G288R280-Q284 WeakPolarHBondContact O-CB 3.23Å; R280-Q284 VanDerWaalsContact O-CG 3.25Å; R280-Q284 WeakPolarHBondContact O-CG 3.31Å; R280-Q284 PolarHBondContact O-N 3.5Å; D281-Q284 PolarHBondContact O-N 2.87Å; Q284-C287 PolarHBondContact O-N 3.5Å; Q284-G288 PolarHBondContact O-N 3Å
285L68.7Low62.3Low4 Ų460 Ų602%0.02131%0.313CS..Hα-helixtrans-62.2-42.2172.9-72.6167.4000111.6D281 V282 F283 G288 Y302 Q305 V309 L314D281-L285 VanDerWaalsContact O-CG 3.27Å; D281-L285 WeakPolarHBondContact O-CG 3.21Å; D281-L285 PolarHBondContact O-N 3.38Å; V282-L285 WeakPolarHBondContact O-CB 3.5Å; V282-L285 PolarHBondContact O-N 3.18Å; F283-L285 VanDerWaalsContact C-N 3.33Å; F283-L285 PolarHBondContact O-N 3.37Å; L285-G288 PolarHBondContact O-N 2.87Å; L285-Y302 VanDerWaalsContact CD2-CB 3.46Å; L285-Y302 HydrophobicContact CD2-CD1 4.38Å; L285-Y302 HydrophobicContact CD2-CD2 4.16Å; L285-Y302 HydrophobicContact CD2-CG 3.77Å; L285-Q305 HydrophobicContact CD1-CB 4.35Å; L285-V309 HydrophobicContact CD1-CB 4.36Å; L285-V309 HydrophobicContact CD1-CG1 4.04Å; L285-V309 HydrophobicContact CD1-CG2 4.37Å; L285-L314 HydrophobicContact CB-CD1 4.23Å; L285-L314 HydrophobicContact CD1-CD1 3.83Å
286Y68.3Low63Low1 Ų157 Ų570%0.00430%0.297CS..Hα-helixtrans-65-46.3173.7-78.1-69.8000111.9T248 V252 L255 V282 F283 G288 L289 L314 G318 L323 I324T248-Y286 HydrophobicContact CG2-CD1 4.47Å; T248-Y286 WeakPolarHBondContact CG2-O 3.4Å; V252-Y286 HydrophobicContact CG1-CG 4.47Å; L255-Y286 HydrophobicContact CD1-CE2 4.18Å; V282-Y286 HydrophobicContact CG1-CD2 3.71Å; V282-Y286 HydrophobicContact CG1-CE2 3.4Å; V282-Y286 VanDerWaalsContact CG1-CE2 3.4Å; V282-Y286 WeakPolarHBondContact O-CD2 3.5Å; V282-Y286 PolarHBondContact O-N 2.84Å; F283-Y286 PolarHBondContact O-N 3.04Å; Y286-G288 PolarHBondContact O-N 3.33Å; Y286-L289 HydrophobicContact CD1-CD1 4.2Å; Y286-L289 VanDerWaalsContact O-CB 3.31Å; Y286-L289 WeakPolarHBondContact O-CB 3.5Å; Y286-L289 PolarHBondContact O-N 3.44Å; Y286-L314 HydrophobicContact CE1-CD2 4.25Å; Y286-L314 HydrophobicContact CE2-CG 4.47Å; Y286-L314 PolarHBondContact OH-O 3.45Å; Y286-G318 WeakPolarHBondContact OH-CA 3.26Å; Y286-L323 HydrophobicContact CE1-CB 4.48Å; Y286-I324 HydrophobicContact CD1-CD1 3.89Å; Y286-I324 HydrophobicContact CD1-CG1 3.82Å; Y286-I324 HydrophobicContact CE1-CD1 3.43Å; Y286-I324 VanDerWaalsContact CE1-CD1 3.43Å; Y286-I324 HydrophobicContact CE1-CG1 3.52Å
287C64.9Low63.6Low69 Ų6950 Ų5047%0.46628%0.275SS..Hα-helixtrans-63.2-27176.9-69.40000113.2F283 Q284 L289F283-C287 WeakPolarHBondContact CE1-SG 3.42Å; F283-C287 WeakPolarHBondContact O-CB 3.03Å; F283-C287 PolarHBondContact O-N 2.95Å; F283-C287 PolarHBondContact O-SG 2.78Å; F283-C287 VanDerWaalsContact O-SG 3.34Å; Q284-C287 PolarHBondContact O-N 3.5Å; C287-L289 PolarHBondContact O-N 3.14Å
288G62.2Low64.1Low12 Ų1250.4 Ų50.412%0.12428%0.277CS..THydrogen-bonded Turntrans-70.3-16.5173.600000114.2Q284 L285 Y286 S290 T293Q284-G288 PolarHBondContact O-N 3Å; L285-G288 PolarHBondContact O-N 2.87Å; Y286-G288 PolarHBondContact O-N 3.33Å; G288-S290 PolarHBondContact O-N 3Å; G288-S290 VanDerWaalsContact O-N 3.14Å; G288-T293 PolarHBondContact O-OG1 3.2Å
289L66.3Low64.2Low1 Ų149.2 Ų49.21%0.00527%0.268CS..  trans-81.189.5176.1-66.8170.6000110.1T248 Y286 C287 L298 I324T248-L289 HydrophobicContact CG2-CB 4.15Å; Y286-L289 HydrophobicContact CD1-CD1 4.2Å; Y286-L289 VanDerWaalsContact O-CB 3.31Å; Y286-L289 WeakPolarHBondContact O-CB 3.5Å; Y286-L289 PolarHBondContact O-N 3.44Å; C287-L289 PolarHBondContact O-N 3.14Å; L289-L298 HydrophobicContact CD2-CD1 4.4Å; L289-L298 HydrophobicContact CD2-CD2 3.63Å; L289-L298 HydrophobicContact CG-CD2 4.19Å; L289-I324 HydrophobicContact CD1-CD1 3.52Å; L289-I324 HydrophobicContact CD1-CG1 4.09Å
290S60.3Low64.3Low58 Ų5849.5 Ų49.541%0.40628%0.277SS..  trans-106.8157.5175.2-69.70000111.5G288 G292 T293G288-S290 PolarHBondContact O-N 3Å; G288-S290 VanDerWaalsContact O-N 3.14Å; S290-G292 PolarHBondContact O-N 3.16Å; S290-T293 PolarHBondContact N-OG1 3.11Å; S290-T293 PolarHBondContact O-N 3.14Å; S290-T293 VanDerWaalsContact O-N 3.17Å; S290-T293 PolarHBondContact O-OG1 3.31Å
291P56.4Low64.3Low106 Ų10649.4 Ų49.469%0.68828%0.276SS*.THydrogen-bonded Turntrans-59.7105.9172.8-5.414.3000109.2L327P291-L327 HydrophobicContact CB-CD1 4.2Å
292G56.3Low64.2Low56 Ų5651.7 Ų51.758%0.57728%0.284SS*.THydrogen-bonded Turntrans120.7-12.8178.400000115.8S290S290-G292 PolarHBondContact O-N 3.16Å
293T63.3Low63.7Low27 Ų2754.6 Ų54.617%0.16630%0.304CS..  trans-88.1120.5171.446.50000110.5G288 S290G288-T293 PolarHBondContact O-OG1 3.2Å; S290-T293 PolarHBondContact N-OG1 3.11Å; S290-T293 PolarHBondContact O-N 3.14Å; S290-T293 VanDerWaalsContact O-N 3.17Å; S290-T293 PolarHBondContact O-OG1 3.31Å
294T66.4Low63.3Low34 Ų3458.7 Ų58.721%0.20933%0.325CS..BIsolated β-bridgetrans-72.5154.9172.467.50000110.4V245 R296 D297 L298V245-T294 HydrophobicContact CG2-CG2 4.31Å; T294-R296 PolarHBondContact O-N 2.58Å; T294-D297 PolarHBondContact O-N 3.01Å; T294-D297 VanDerWaalsContact O-N 3.1Å; T294-D297 PolarHBondContact OG1-N 3.44Å; T294-D297 VanDerWaalsContact OG1-N 3.11Å; T294-D297 PolarHBondContact OG1-OD2 3.3Å; T294-L298 PolarHBondContact O-N 3.48Å
295V64.1Low62.9Low2 Ų256.6 Ų56.61%0.01232%0.315CS..Hα-helixtrans-58.8-31.1172.5178.50000111.3F240 Y242 N244 Y246 L298 C299 I315F240-V295 HydrophobicContact CE2-CG1 4.31Å; F240-V295 HydrophobicContact CZ-CG1 4.08Å; Y242-V295 HydrophobicContact CD1-CG1 4.11Å; Y242-V295 PolarHBondContact O-N 2.93Å; N244-V295 PolarHBondContact O-N 3.02Å; Y246-V295 HydrophobicContact CD2-CG2 3.32Å; Y246-V295 HydrophobicContact CE2-CG2 3.36Å; V295-L298 PolarHBondContact O-N 2.84Å; V295-C299 VanDerWaalsContact O-CB 3.31Å; V295-C299 WeakPolarHBondContact O-CB 3.29Å; V295-C299 PolarHBondContact O-N 3.25Å; V295-C299 PolarHBondContact O-SG 2.77Å; V295-I315 HydrophobicContact CB-CD1 4.42Å; V295-I315 HydrophobicContact CG1-CD1 3.82Å; V295-I315 HydrophobicContact CG2-CD1 3.6Å
296R60.4Low62.3Low127 Ų12757.3 Ų57.348%0.47932%0.318SS..Hα-helixtrans-61.7-45.2173.8-174-175.3-65.1-174.6-0.2112.4Y242 T294 L298 C299 S300Y242-R296 PolarHBondContact O-N 3.32Å; T294-R296 PolarHBondContact O-N 2.58Å; R296-L298 VanDerWaalsContact C-N 3.35Å; R296-C299 PolarHBondContact O-N 2.98Å; R296-S300 PolarHBondContact O-N 3.42Å; R296-S300 PolarHBondContact O-OG 2.83Å
297D64.4Low61.6Low67 Ų6763.7 Ų63.736%0.35835%0.348SS..Hα-helixtrans-68.9-38177.7-62.5-39000111.2T294 C299 S300 R301T294-D297 PolarHBondContact O-N 3.01Å; T294-D297 VanDerWaalsContact O-N 3.1Å; T294-D297 PolarHBondContact OG1-N 3.44Å; T294-D297 VanDerWaalsContact OG1-N 3.11Å; T294-D297 PolarHBondContact OG1-OD2 3.3Å; D297-C299 VanDerWaalsContact C-N 3.34Å; D297-S300 PolarHBondContact O-N 3.06Å; D297-R301 WeakPolarHBondContact O-CB 3.49Å; D297-R301 VanDerWaalsContact O-CG 3.26Å; D297-R301 WeakPolarHBondContact O-CG 3.12Å; D297-R301 PolarHBondContact O-N 3.33Å
298L66.4Low61.1Low11 Ų1166.6 Ų66.66%0.05835%0.35CS..Hα-helixtrans-61.1-44.8172.3-167.482.2000110.8L289 T294 V295 R296 S300 R301 Y302L289-L298 HydrophobicContact CD2-CD1 4.4Å; L289-L298 HydrophobicContact CD2-CD2 3.63Å; L289-L298 HydrophobicContact CG-CD2 4.19Å; T294-L298 PolarHBondContact O-N 3.48Å; V295-L298 PolarHBondContact O-N 2.84Å; R296-L298 VanDerWaalsContact C-N 3.35Å; L298-S300 VanDerWaalsContact C-N 3.3Å; L298-S300 PolarHBondContact O-N 3.5Å; L298-R301 PolarHBondContact O-N 2.99Å; L298-Y302 HydrophobicContact CD1-CD2 3.53Å; L298-Y302 HydrophobicContact CD1-CE2 3.52Å; L298-Y302 HydrophobicContact CG-CD2 3.87Å; L298-Y302 HydrophobicContact CG-CE2 4.37Å; L298-Y302 WeakPolarHBondContact O-CD2 3.3Å; L298-Y302 PolarHBondContact O-N 2.69Å
299C61.9Low61Low22 Ų2266 Ų6615%0.14934%0.344CS..Hα-helixtrans-61.3-42179.1-72.50000111.7V295 R296 D297 S303 L306V295-C299 VanDerWaalsContact O-CB 3.31Å; V295-C299 WeakPolarHBondContact O-CB 3.29Å; V295-C299 PolarHBondContact O-N 3.25Å; V295-C299 PolarHBondContact O-SG 2.77Å; R296-C299 PolarHBondContact O-N 2.98Å; D297-C299 VanDerWaalsContact C-N 3.34Å; C299-S303 WeakPolarHBondContact O-CA 3.28Å; C299-S303 PolarHBondContact O-N 2.76Å; C299-S303 PolarHBondContact O-OG 3.39Å; C299-S303 VanDerWaalsContact O-OG 3.06Å; C299-L306 VanDerWaalsContact CA-CD1 3.41Å; C299-L306 HydrophobicContact CB-CD1 4.05Å; C299-L306 WeakPolarHBondContact O-CD1 3.42Å
300S64Low60.9Low80 Ų8067.9 Ų67.956%0.55935%0.354SS*.Hα-helixtrans-67.6-43.3178.2-55.10000111.7R296 D297 L298 S303R296-S300 PolarHBondContact O-N 3.42Å; R296-S300 PolarHBondContact O-OG 2.83Å; D297-S300 PolarHBondContact O-N 3.06Å; L298-S300 VanDerWaalsContact C-N 3.3Å; L298-S300 PolarHBondContact O-N 3.5Å; S300-S303 PolarHBondContact O-OG 3.32Å
301R65.1Low61Low181 Ų18167.5 Ų67.568%0.68335%0.345SS*.Hα-helixtrans-71-36.5-179.2-70.9-179.2-158.9-144.67.1113.6D297 L298D297-R301 WeakPolarHBondContact O-CB 3.49Å; D297-R301 VanDerWaalsContact O-CG 3.26Å; D297-R301 WeakPolarHBondContact O-CG 3.12Å; D297-R301 PolarHBondContact O-N 3.33Å; L298-R301 PolarHBondContact O-N 2.99Å
302Y64Low61.4Low71 Ų7168.3 Ų68.328%0.27834%0.335SS..THydrogen-bonded Turntrans-109.426.1-174.1-62.5-77.8000113.4L285 L298 Q304 Q305 L306L285-Y302 VanDerWaalsContact CD2-CB 3.46Å; L285-Y302 HydrophobicContact CD2-CD1 4.38Å; L285-Y302 HydrophobicContact CD2-CD2 4.16Å; L285-Y302 HydrophobicContact CD2-CG 3.77Å; L298-Y302 HydrophobicContact CD1-CD2 3.53Å; L298-Y302 HydrophobicContact CD1-CE2 3.52Å; L298-Y302 HydrophobicContact CG-CD2 3.87Å; L298-Y302 HydrophobicContact CG-CE2 4.37Å; L298-Y302 WeakPolarHBondContact O-CD2 3.3Å; L298-Y302 PolarHBondContact O-N 2.69Å; Y302-Q304 PolarHBondContact O-N 3.25Å; Y302-Q305 PolarHBondContact O-N 2.94Å; Y302-L306 WeakPolarHBondContact O-CD1 3.48Å; Y302-L306 WeakPolarHBondContact O-CG 3.42Å; Y302-L306 PolarHBondContact O-N 3.34Å; Y302-L306 VanDerWaalsContact O-N 3.09Å
303S58.8Low61.7Low66 Ų6669.2 Ų69.246%0.46232%0.321SS..Hα-helixtrans-45.9-36.8179.8-61.10000114.1C299 S300 Q307C299-S303 WeakPolarHBondContact O-CA 3.28Å; C299-S303 PolarHBondContact O-N 2.76Å; C299-S303 PolarHBondContact O-OG 3.39Å; C299-S303 VanDerWaalsContact O-OG 3.06Å; S300-S303 PolarHBondContact O-OG 3.32Å; S303-Q307 PolarHBondContact O-N 2.87Å
304Q59.2Low61.9Low168 Ų16868.3 Ų68.379%0.78531%0.314SS*.Hα-helixtrans-73.8-31.9179.6-68.7-176.3-16.900113.7Y302Y302-Q304 PolarHBondContact O-N 3.25Å
305Q58.8Low61.9Low26 Ų2666.9 Ų66.912%0.12131%0.306CS..Hα-helixtrans-81.4-30.8177.7-70.1178.1-31.600111.5D281 L285 Y302 Q307 R308 V309D281-Q305 HydrophobicContact CB-CB 4.5Å; D281-Q305 HydrophobicContact CB-CG 4.19Å; D281-Q305 PolarHBondContact OD1-NE2 3.36Å; L285-Q305 HydrophobicContact CD1-CB 4.35Å; Y302-Q305 PolarHBondContact O-N 2.94Å; Q305-Q307 VanDerWaalsContact C-N 3.26Å; Q305-Q307 PolarHBondContact O-N 2.87Å; Q305-R308 PolarHBondContact O-N 3.43Å; Q305-R308 VanDerWaalsContact O-N 3.14Å; Q305-V309 PolarHBondContact O-N 3Å
306L57Low62.1Low18 Ų1867.1 Ų67.19%0.09431%0.307CS..Hα-helixtrans-70.1-17.3175.7-72158.2000114.4K271 C299 Y302 R308 E311K271-L306 PolarHBondContact NZ-O 3.41Å; C299-L306 VanDerWaalsContact CA-CD1 3.41Å; C299-L306 HydrophobicContact CB-CD1 4.05Å; C299-L306 WeakPolarHBondContact O-CD1 3.42Å; Y302-L306 WeakPolarHBondContact O-CD1 3.48Å; Y302-L306 WeakPolarHBondContact O-CG 3.42Å; Y302-L306 PolarHBondContact O-N 3.34Å; Y302-L306 VanDerWaalsContact O-N 3.09Å; L306-R308 PolarHBondContact O-N 3.41Å; L306-E311 HydrophobicContact CD2-CB 3.65Å
307Q54.5Low62.4Low136 Ų13661.2 Ų61.264%0.63628%0.284SS*.THydrogen-bonded Turntrans-61.4-33.7168.9-74.2-172.1-13.400111.5Q274 S303 Q305Q274-Q307 PolarHBondContact OE1-O 2.8Å; S303-Q307 PolarHBondContact O-N 2.87Å; Q305-Q307 VanDerWaalsContact C-N 3.26Å; Q305-Q307 PolarHBondContact O-N 2.87Å
308R54Low62.4Low130 Ų13058 Ų5849%0.49127%0.267SS..THydrogen-bonded Turntrans-95.4-17.5-177.6-59.1179.8-178.2175.30.2113.8Q305 L306Q305-R308 PolarHBondContact O-N 3.43Å; Q305-R308 VanDerWaalsContact O-N 3.14Å; L306-R308 PolarHBondContact O-N 3.41Å
309V59.7Low62.4Low0 Ų058.7 Ų58.70%027%0.271CS..BIsolated β-bridgetrans-121.9131.6-169.6164.90000110.6V269 A277 V282 L285 Q305 E311 L314V269-V309 HydrophobicContact CG1-CB 4.17Å; V269-V309 HydrophobicContact CG1-CG1 3.42Å; V269-V309 VanDerWaalsContact CG1-CG1 3.42Å; V269-V309 HydrophobicContact CG1-CG2 4.03Å; A277-V309 HydrophobicContact CB-CG2 3.49Å; A277-V309 VanDerWaalsContact CB-CG2 3.49Å; V282-V309 HydrophobicContact CG2-CG2 4.33Å; L285-V309 HydrophobicContact CD1-CB 4.36Å; L285-V309 HydrophobicContact CD1-CG1 4.04Å; L285-V309 HydrophobicContact CD1-CG2 4.37Å; Q305-V309 PolarHBondContact O-N 3Å; V309-E311 PolarHBondContact O-N 3.3Å; V309-L314 HydrophobicContact CG1-CB 4.13Å; V309-L314 HydrophobicContact CG1-CD1 3.61Å
310D63.3Low62.4Low40 Ų4059.3 Ų59.321%0.21427%0.272CS..  trans-76.3106.2168.3-84.7-39.3000110.5V269 K271 R312 R313 L314V269-D310 PolarHBondContact O-N 3.43Å; V269-D310 VanDerWaalsContact O-N 3.15Å; K271-D310 WeakPolarHBondContact CE-OD1 3.49Å; K271-D310 HydrophobicContact CG-CB 4.34Å; K271-D310 VanDerWaalsContact CG-OD1 3.23Å; K271-D310 WeakPolarHBondContact CG-OD1 3.26Å; K271-D310 VanDerWaalsContact CG-OD2 3.27Å; K271-D310 WeakPolarHBondContact CG-OD2 3.22Å; K271-D310 IonicContact NZ-OD1 3.99Å; D310-R312 PolarHBondContact O-N 3.19Å; D310-R313 HydrophobicContact CB-CB 3.8Å; D310-R313 HydrophobicContact CB-CG 3.89Å; D310-R313 PolarHBondContact O-N 2.63Å; D310-R313 VanDerWaalsContact O-N 3.13Å; D310-R313 IonicContact OD2-CZ 3.54Å; D310-R313 IonicContact OD2-NE 3.98Å; D310-R313 IonicContact OD2-NH1 3.21Å; D310-L314 WeakPolarHBondContact O-CB 3.27Å; D310-L314 PolarHBondContact O-N 3.24Å
311E62.9Low62.4Low49 Ų4958.7 Ų58.723%0.22926%0.26CS..Hα-helixtrans-50.4-40.7177.159.8-146.7-14800113.9F240 Y242 L306 V309 I315F240-E311 HydrophobicContact CZ-CG 4.36Å; Y242-E311 VanDerWaalsContact CE1-OE1 3.23Å; Y242-E311 WeakPolarHBondContact CE1-OE1 3.31Å; Y242-E311 VanDerWaalsContact CZ-OE1 3.32Å; Y242-E311 PolarHBondContact OH-OE1 3.02Å; L306-E311 HydrophobicContact CD2-CB 3.65Å; V309-E311 PolarHBondContact O-N 3.3Å; E311-I315 PolarHBondContact O-N 2.93Å
312R64.3Low62Low124 Ų12453 Ų5347%0.46825%0.248SC..Hα-helixtrans-71.5-40.7-177.9-59.2-173.4-178.4170.61.6111.2F204 F240 Y242 D310 Q316F204-R312 HydrophobicContact CD1-CB 4.26Å; F204-R312 HydrophobicContact CE1-CB 3.53Å; F204-R312 HydrophobicContact CZ-CB 4.16Å; F240-R312 HydrophobicContact CD1-CG 4.15Å; F240-R312 HydrophobicContact CE1-CG 3.83Å; F240-R312 HydrophobicContact CE2-CG 4.25Å; F240-R312 HydrophobicContact CZ-CG 3.88Å; Y242-R312 PolarHBondContact OH-NE 2.92Å; Y242-R312 PolarHBondContact OH-NH2 3.05Å; D310-R312 PolarHBondContact O-N 3.19Å; R312-Q316 WeakPolarHBondContact O-CB 3.17Å; R312-Q316 PolarHBondContact O-N 3.45Å
313R64.3Low61.8Low75 Ų7550 Ų5028%0.28324%0.236SC..Hα-helixtrans-72.9-34177.9-66.6-175.8179.3-179.8-2.1111.8F204 Y268 D310 Q316 F317F204-R313 HydrophobicContact CZ-CG 4.04Å; Y268-R313 HydrophobicContact CD1-CB 3.98Å; Y268-R313 HydrophobicContact CE1-CB 3.9Å; Y268-R313 HydrophobicContact CE1-CG 4.24Å; Y268-R313 VanDerWaalsContact O-CD 3.26Å; Y268-R313 WeakPolarHBondContact O-CD 3.23Å; D310-R313 HydrophobicContact CB-CB 3.8Å; D310-R313 HydrophobicContact CB-CG 3.89Å; D310-R313 PolarHBondContact O-N 2.63Å; D310-R313 VanDerWaalsContact O-N 3.13Å; D310-R313 IonicContact OD2-CZ 3.54Å; D310-R313 IonicContact OD2-NE 3.98Å; D310-R313 IonicContact OD2-NH1 3.21Å; R313-Q316 PolarHBondContact O-N 2.96Å; R313-F317 VanDerWaalsContact O-CB 3.31Å; R313-F317 WeakPolarHBondContact O-CB 3.35Å; R313-F317 PolarHBondContact O-N 3.3Å
314L66.4Low61.9Low7 Ų747 Ų474%0.03722%0.215CC..Hα-helixtrans-63.2-49.9173.4-174.8149000111.3V269 V282 L285 Y286 V309 D310 Q316 F317 G318V269-L314 HydrophobicContact CG1-CB 4.1Å; V269-L314 HydrophobicContact CG1-CD1 4.1Å; V269-L314 HydrophobicContact CG1-CG 4.47Å; V269-L314 HydrophobicContact CG2-CB 4.26Å; V282-L314 HydrophobicContact CG1-CD1 4.16Å; L285-L314 HydrophobicContact CB-CD1 4.23Å; L285-L314 HydrophobicContact CD1-CD1 3.83Å; Y286-L314 HydrophobicContact CE1-CD2 4.25Å; Y286-L314 HydrophobicContact CE2-CG 4.47Å; Y286-L314 PolarHBondContact OH-O 3.45Å; V309-L314 HydrophobicContact CG1-CB 4.13Å; V309-L314 HydrophobicContact CG1-CD1 3.61Å; D310-L314 WeakPolarHBondContact O-CB 3.27Å; D310-L314 PolarHBondContact O-N 3.24Å; L314-Q316 VanDerWaalsContact C-N 3.33Å; L314-Q316 PolarHBondContact O-N 3.37Å; L314-F317 PolarHBondContact O-N 3.32Å; L314-G318 PolarHBondContact O-N 2.8Å
315I67.6Low61.7Low5 Ų546 Ų463%0.02620%0.204CC..Hα-helixtrans-67.2-38.4178.6-73.5171.5000110.7F240 Y246 V295 E311 G318 L319 I324F240-I315 HydrophobicContact CD2-CB 4.03Å; F240-I315 HydrophobicContact CD2-CD1 4.12Å; F240-I315 HydrophobicContact CD2-CG2 3.88Å; F240-I315 HydrophobicContact CE2-CB 4.05Å; F240-I315 HydrophobicContact CE2-CD1 3.46Å; F240-I315 VanDerWaalsContact CE2-CD1 3.46Å; F240-I315 HydrophobicContact CE2-CG1 4.25Å; F240-I315 HydrophobicContact CE2-CG2 4.31Å; F240-I315 HydrophobicContact CZ-CD1 4.43Å; Y246-I315 HydrophobicContact CD1-CG2 4.48Å; Y246-I315 HydrophobicContact CD2-CD1 4.14Å; Y246-I315 HydrophobicContact CE1-CG2 3.91Å; Y246-I315 HydrophobicContact CE2-CD1 3.99Å; Y246-I315 HydrophobicContact CE2-CG2 3.96Å; V295-I315 HydrophobicContact CB-CD1 4.42Å; V295-I315 HydrophobicContact CG1-CD1 3.82Å; V295-I315 HydrophobicContact CG2-CD1 3.6Å; E311-I315 PolarHBondContact O-N 2.93Å; I315-G318 PolarHBondContact O-N 3.28Å; I315-L319 HydrophobicContact CG2-CD1 3.64Å; I315-L319 HydrophobicContact CG2-CG 4.27Å; I315-L319 WeakPolarHBondContact O-CB 3.11Å; I315-L319 WeakPolarHBondContact O-CD1 3.1Å; I315-L319 WeakPolarHBondContact O-CG 3.48Å; I315-L319 PolarHBondContact O-N 3.37Å; I315-I324 HydrophobicContact CG1-CD1 4.48Å
316Q66.8Low61.8Low6 Ų645.7 Ų45.73%0.02820%0.202CC..Hα-helixtrans-60.6-49.9174.7-170.4-171.718.500111.7V177 G203 F204 Y268 R312 R313 L314 G318 L319 I320V177-Q316 HydrophobicContact CG1-CG 4.43Å; V177-Q316 HydrophobicContact CG2-CG 4.08Å; G203-Q316 PolarHBondContact O-NE2 3.23Å; G203-Q316 VanDerWaalsContact O-NE2 3.11Å; F204-Q316 VanDerWaalsContact CZ-OE1 3.29Å; Y268-Q316 PolarHBondContact OH-NE2 3.49Å; Y268-Q316 PolarHBondContact OH-OE1 3.26Å; R312-Q316 WeakPolarHBondContact O-CB 3.17Å; R312-Q316 PolarHBondContact O-N 3.45Å; R313-Q316 PolarHBondContact O-N 2.96Å; L314-Q316 VanDerWaalsContact C-N 3.33Å; L314-Q316 PolarHBondContact O-N 3.37Å; Q316-G318 VanDerWaalsContact C-N 3.33Å; Q316-G318 PolarHBondContact O-N 2.82Å; Q316-L319 PolarHBondContact O-N 3.03Å; Q316-I320 HydrophobicContact CG-CD1 4.01Å; Q316-I320 HydrophobicContact CG-CG1 4.5Å; Q316-I320 WeakPolarHBondContact O-CG1 3.47Å; Q316-I320 PolarHBondContact O-N 3.39Å
317F66.5Low61.6Low3 Ų346.2 Ų46.21%0.01321%0.205CC..Hα-helixtrans-62.1-42176.6-172.6-91.1000111.8L255 E264 C265 Y268 R313 L314 L319 I320 K321 L323L255-F317 HydrophobicContact CD2-CE1 4.39Å; E264-F317 HydrophobicContact CB-CE2 4.39Å; E264-F317 HydrophobicContact CB-CZ 4.47Å; E264-F317 HydrophobicContact CG-CE2 4.06Å; C265-F317 HydrophobicContact CB-CD1 3.94Å; C265-F317 HydrophobicContact CB-CE1 3.35Å; C265-F317 HydrophobicContact CB-CE2 4.32Å; C265-F317 HydrophobicContact CB-CZ 3.56Å; C265-F317 VanDerWaalsContact SG-CD1 3.55Å; C265-F317 VanDerWaalsContact SG-CE1 3.54Å; Y268-F317 HydrophobicContact CD1-CB 3.94Å; Y268-F317 HydrophobicContact CD1-CD2 4.17Å; Y268-F317 HydrophobicContact CD1-CG 4.49Å; Y268-F317 HydrophobicContact CE1-CB 4.43Å; Y268-F317 HydrophobicContact CG-CD2 4.2Å; R313-F317 VanDerWaalsContact O-CB 3.31Å; R313-F317 WeakPolarHBondContact O-CB 3.35Å; R313-F317 PolarHBondContact O-N 3.3Å; L314-F317 PolarHBondContact O-N 3.32Å; F317-L319 VanDerWaalsContact C-N 3.28Å; F317-L319 PolarHBondContact O-N 3Å; F317-I320 PolarHBondContact O-N 3.36Å; F317-K321 HydrophobicContact CD1-CG 4.26Å; F317-K321 HydrophobicContact CE1-CG 3.82Å; F317-K321 HydrophobicContact CE2-CG 4.12Å; F317-K321 HydrophobicContact CZ-CD 4.36Å; F317-K321 HydrophobicContact CZ-CG 3.76Å; F317-K321 PolarHBondContact O-N 3.15Å; F317-L323 HydrophobicContact CD1-CD1 4.14Å; F317-L323 HydrophobicContact CE1-CD1 4.06Å
318G65.4Low61.5Low0 Ų041.2 Ų41.20%018%0.181CC..Hα-helixtrans-59.8-36.717500000113Y286 L314 I315 Q316 S322 L323 I324Y286-G318 WeakPolarHBondContact OH-CA 3.26Å; L314-G318 PolarHBondContact O-N 2.8Å; I315-G318 PolarHBondContact O-N 3.28Å; Q316-G318 VanDerWaalsContact C-N 3.33Å; Q316-G318 PolarHBondContact O-N 2.82Å; G318-S322 CarbonylContact O-C 3.58Å; G318-S322 PolarHBondContact O-N 3.4Å; G318-L323 WeakPolarHBondContact O-CA 3.41Å; G318-L323 WeakPolarHBondContact O-CB 3.08Å; G318-L323 PolarHBondContact O-N 3.06Å; G318-I324 PolarHBondContact O-N 3.34Å
319L65.4Low61.5Low25 Ų2536.3 Ų36.313%0.13116%0.164CC..Hα-helixtrans-78.5-42.2176.4-69.1165.4000112.3V237 Y246 I315 Q316 F317 K321 S322 I324V237-L319 HydrophobicContact CG1-CB 3.56Å; V237-L319 HydrophobicContact CG1-CD1 3.4Å; V237-L319 VanDerWaalsContact CG1-CD1 3.4Å; V237-L319 HydrophobicContact CG1-CG 4.09Å; V237-L319 HydrophobicContact CG2-CB 4.33Å; Y246-L319 HydrophobicContact CD1-CD2 4.28Å; Y246-L319 HydrophobicContact CE1-CD1 3.86Å; Y246-L319 HydrophobicContact CE1-CD2 4.04Å; Y246-L319 HydrophobicContact CE1-CG 4.35Å; I315-L319 HydrophobicContact CG2-CD1 3.64Å; I315-L319 HydrophobicContact CG2-CG 4.27Å; I315-L319 WeakPolarHBondContact O-CB 3.11Å; I315-L319 WeakPolarHBondContact O-CD1 3.1Å; I315-L319 WeakPolarHBondContact O-CG 3.48Å; I315-L319 PolarHBondContact O-N 3.37Å; Q316-L319 PolarHBondContact O-N 3.03Å; F317-L319 VanDerWaalsContact C-N 3.28Å; F317-L319 PolarHBondContact O-N 3Å; L319-K321 PolarHBondContact O-N 3.08Å; L319-S322 PolarHBondContact O-N 2.76Å; L319-I324 HydrophobicContact CD2-CB 4.49Å; L319-I324 HydrophobicContact CD2-CG2 4.48Å
320I63.3Low60.9Low35 Ų3538.2 Ų38.218%0.17917%0.171CC..Hα-helixtrans-57.3-49.4177.1-67.9163.6000110.4V177 T179 V237 Q316 F317 S322V177-I320 HydrophobicContact CB-CD1 4.33Å; V177-I320 HydrophobicContact CB-CG1 4.39Å; V177-I320 HydrophobicContact CG1-CD1 3.66Å; V177-I320 HydrophobicContact CG1-CG1 4.26Å; T179-I320 HydrophobicContact CG2-CG2 4.41Å; V237-I320 HydrophobicContact CG2-CG1 3.89Å; Q316-I320 HydrophobicContact CG-CD1 4.01Å; Q316-I320 HydrophobicContact CG-CG1 4.5Å; Q316-I320 WeakPolarHBondContact O-CG1 3.47Å; Q316-I320 PolarHBondContact O-N 3.39Å; F317-I320 PolarHBondContact O-N 3.36Å; I320-S322 PolarHBondContact O-N 3.4Å
321K63.2Low60.1Low68 Ų6836.4 Ų36.430%0.29616%0.161SC..THydrogen-bonded Turntrans-82.35-179.5-59.3-69.1-177.1172.80112.4L261 E264 F317 L319 L323L261-K321 HydrophobicContact CD2-CD 4.1Å; E264-K321 WeakPolarHBondContact OE1-CE 3.4Å; E264-K321 IonicContact OE1-NZ 2.88Å; E264-K321 PolarHBondContact OE1-NZ 3.32Å; E264-K321 IonicContact OE2-NZ 2.82Å; E264-K321 PolarHBondContact OE2-NZ 3.05Å; F317-K321 HydrophobicContact CD1-CG 4.26Å; F317-K321 HydrophobicContact CE1-CG 3.82Å; F317-K321 HydrophobicContact CE2-CG 4.12Å; F317-K321 HydrophobicContact CZ-CD 4.36Å; F317-K321 HydrophobicContact CZ-CG 3.76Å; F317-K321 PolarHBondContact O-N 3.15Å; L319-K321 PolarHBondContact O-N 3.08Å; K321-L323 HydrophobicContact CB-CD1 3.74Å; K321-L323 HydrophobicContact CB-CG 3.74Å; K321-L323 HydrophobicContact CG-CD1 4.47Å; K321-L323 PolarHBondContact O-N 2.78Å; K321-L323 VanDerWaalsContact O-N 3.14Å
322S57.7Low59.1Low62 Ų6236.3 Ų36.343%0.43416%0.164SC..THydrogen-bonded Turntrans53.328.8-176.9-56.50000114T249 G318 L319 I320 I324T249-S322 PolarHBondContact OG1-O 3.13Å; G318-S322 CarbonylContact O-C 3.58Å; G318-S322 PolarHBondContact O-N 3.4Å; L319-S322 PolarHBondContact O-N 2.76Å; I320-S322 PolarHBondContact O-N 3.4Å; S322-I324 VanDerWaalsContact C-N 3.31Å
323L59.9Low58.2Low6 Ų633.5 Ų33.53%0.03116%0.155CC..SBendtrans-73.2-33175-60164.6000110.4T249 K251 V252 L255 Y286 F317 G318 K321T249-L323 PolarHBondContact N-O 3.25Å; T249-L323 VanDerWaalsContact OG1-C 3.29Å; T249-L323 WeakPolarHBondContact OG1-CA 3.49Å; T249-L323 PolarHBondContact OG1-O 2.96Å; K251-L323 HydrophobicContact CB-CD2 4.15Å; K251-L323 WeakPolarHBondContact O-CD2 3.31Å; V252-L323 HydrophobicContact CG2-CB 4.13Å; V252-L323 WeakPolarHBondContact CG2-O 3.48Å; L255-L323 HydrophobicContact CD1-CD1 3.32Å; L255-L323 HydrophobicContact CD1-CD2 3.74Å; L255-L323 HydrophobicContact CD1-CG 4.03Å; L255-L323 HydrophobicContact CD2-CD1 4.04Å; L255-L323 HydrophobicContact CG-CD1 3.72Å; L255-L323 HydrophobicContact CG-CD2 3.65Å; L255-L323 HydrophobicContact CG-CG 4.3Å; Y286-L323 HydrophobicContact CE1-CB 4.48Å; F317-L323 HydrophobicContact CD1-CD1 4.14Å; F317-L323 HydrophobicContact CE1-CD1 4.06Å; G318-L323 WeakPolarHBondContact O-CA 3.41Å; G318-L323 WeakPolarHBondContact O-CB 3.08Å; G318-L323 PolarHBondContact O-N 3.06Å; K321-L323 HydrophobicContact CB-CD1 3.74Å; K321-L323 HydrophobicContact CB-CG 3.74Å; K321-L323 HydrophobicContact CG-CD1 4.47Å; K321-L323 PolarHBondContact O-N 2.78Å; K321-L323 VanDerWaalsContact O-N 3.14Å
324I61Low57.3Low5 Ų534.7 Ų34.73%0.02617%0.17CC..EExtended strand (participates in β ladder)trans-111.6136.6174.3-57.5176.4000108.2Y246 C247 Y286 L289 I315 G318 L319 S322Y246-I324 VanDerWaalsContact CB-CG2 3.43Å; Y246-I324 HydrophobicContact CD1-CG2 3.55Å; Y246-I324 HydrophobicContact CG-CG2 3.82Å; C247-I324 CarbonylContact O-C 3.54Å; C247-I324 WeakPolarHBondContact O-CA 3.47Å; Y286-I324 HydrophobicContact CD1-CD1 3.89Å; Y286-I324 HydrophobicContact CD1-CG1 3.82Å; Y286-I324 HydrophobicContact CE1-CD1 3.43Å; Y286-I324 VanDerWaalsContact CE1-CD1 3.43Å; Y286-I324 HydrophobicContact CE1-CG1 3.52Å; L289-I324 HydrophobicContact CD1-CD1 3.52Å; L289-I324 HydrophobicContact CD1-CG1 4.09Å; I315-I324 HydrophobicContact CG1-CD1 4.48Å; G318-I324 PolarHBondContact O-N 3.34Å; L319-I324 HydrophobicContact CD2-CB 4.49Å; L319-I324 HydrophobicContact CD2-CG2 4.48Å; S322-I324 VanDerWaalsContact C-N 3.31Å
325R54Low56.1Low146 Ų14637.4 Ų37.455%0.55119%0.187SC*.EExtended strand (participates in β ladder)trans-104.6128.3163.1179.7174172.9168.9-2.5108.7C247 T249 L327 K381C247-R325 PolarHBondContact N-O 3.23Å; C247-R325 PolarHBondContact O-N 3.38Å; T249-R325 HydrophobicContact CG2-CB 3.92Å; R325-L327 PolarHBondContact O-N 3.18Å; R325-K381 PolarHBondContact NH2-OXT 2.8Å
326R60.7Low54.9Low19 Ų1949.2 Ų49.27%0.07223%0.231CC..EExtended strand (participates in β ladder)trans-70.4128.4167.7-172.3174.1175.1-159.1-5.7108.3I239 N244 Y246 D353I239-R326 PolarHBondContact O-NH1 2.92Å; N244-R326 VanDerWaalsContact CG-CZ 3.43Å; N244-R326 VanDerWaalsContact CG-NH2 3.31Å; N244-R326 PolarHBondContact ND2-NE 3.46Å; N244-R326 VanDerWaalsContact ND2-NE 3.11Å; N244-R326 PolarHBondContact ND2-NH2 2.94Å; N244-R326 VanDerWaalsContact OD1-CZ 3.28Å; N244-R326 PolarHBondContact OD1-NE 3.35Å; N244-R326 PolarHBondContact OD1-NH2 3.37Å; Y246-R326 HydrophobicContact CD1-CB 3.9Å; Y246-R326 HydrophobicContact CD1-CG 4.16Å; Y246-R326 HydrophobicContact CE1-CB 3.76Å; Y246-R326 HydrophobicContact CE1-CG 3.83Å; R326-D353 IonicContact CZ-OD1 2.95Å; R326-D353 IonicContact CZ-OD2 2.94Å; R326-D353 IonicContact NH1-OD1 3.76Å; R326-D353 IonicContact NH1-OD2 3.89Å; R326-D353 PolarHBondContact NH1-OD2 3.1Å; R326-D353 IonicContact NH2-OD1 3.96Å; R326-D353 PolarHBondContact NH2-OD1 3.48Å; R326-D353 IonicContact NH2-OD2 2.64Å; R326-D353 PolarHBondContact NH2-OD2 2.85Å
327L53.7Low53.5Low30 Ų3054.3 Ų54.316%0.15726%0.259CS..EExtended strand (participates in β ladder)trans-84.7117.7165.8-81.5164.2000107.3V245 C247 P291 R325 W380V245-L327 HydrophobicContact CG1-CD1 4.18Å; V245-L327 PolarHBondContact O-N 3.11Å; C247-L327 HydrophobicContact CB-CD1 4.24Å; C247-L327 HydrophobicContact CB-CG 4.46Å; C247-L327 WeakPolarHBondContact SG-CD1 3.21Å; P291-L327 HydrophobicContact CB-CD1 4.2Å; R325-L327 PolarHBondContact O-N 3.18Å; L327-W380 HydrophobicContact CB-CE3 3.92Å; L327-W380 HydrophobicContact CD2-CB 4.14Å
328Q51.8Low52.3Low30 Ų3063.1 Ų63.114%0.1430%0.3CS..PPolyproline II helixtrans-90.9135.4172.8-75.1176.1-21.800108.5Y330 K381Q328-Y330 HydrophobicContact CB-CD2 4.16Å; Q328-Y330 HydrophobicContact CB-CE2 3.51Å; Q328-Y330 VanDerWaalsContact O-CD2 3.29Å; Q328-Y330 WeakPolarHBondContact O-CD2 3.48Å; Q328-Y330 PolarHBondContact O-N 2.83Å; Q328-Y330 PolarHBondContact OE1-OH 2.79Å; Q328-K381 PolarHBondContact N-O 2.77Å; Q328-K381 PolarHBondContact O-N 3.46Å
329K53.4Low51.1Low28 Ų2874.6 Ų74.612%0.12234%0.344CS..EExtended strand (participates in β ladder)trans-74.5120.2168.9-69.9-178.8-179.1175.30107.7Y352 Y363 D367 I378 W380K329-Y352 HydrophobicContact CB-CD2 3.84Å; K329-Y352 HydrophobicContact CB-CE2 4.38Å; K329-Y352 HydrophobicContact CB-CG 4.3Å; K329-Y352 WeakPolarHBondContact O-CB 3.2Å; K329-Y352 PolarHBondContact O-N 3.1Å; K329-Y352 VanDerWaalsContact O-N 3.16Å; K329-Y363 PolarHBondContact NZ-OH 2.95Å; K329-D367 IonicContact NZ-OD1 2.98Å; K329-D367 PolarHBondContact NZ-OD1 3.21Å; K329-D367 IonicContact NZ-OD2 3.32Å; K329-D367 PolarHBondContact NZ-OD2 3.03Å; K329-I378 HydrophobicContact CB-CG2 3.68Å; K329-I378 HydrophobicContact CD-CG2 4.01Å; K329-I378 HydrophobicContact CG-CG2 3.7Å; K329-W380 HydrophobicContact CD-CH2 4.02Å; K329-W380 HydrophobicContact CD-CZ2 4.32Å; K329-W380 HydrophobicContact CD-CZ3 4.3Å; K329-W380 HydrophobicContact CG-CD2 4.16Å; K329-W380 HydrophobicContact CG-CE3 3.76Å; K329-W380 HydrophobicContact CG-CH2 3.7Å; K329-W380 HydrophobicContact CG-CZ2 4.04Å; K329-W380 HydrophobicContact CG-CZ3 3.52Å
330Y48.5Very low49.8Very low40 Ų4076.3 Ų76.316%0.15736%0.358CS..EExtended strand (participates in β ladder)trans-108.9102.5171.6-71.4-93.9000108.1Q328 V332 G348 H350 C379 K381Q328-Y330 HydrophobicContact CB-CD2 4.16Å; Q328-Y330 HydrophobicContact CB-CE2 3.51Å; Q328-Y330 VanDerWaalsContact O-CD2 3.29Å; Q328-Y330 WeakPolarHBondContact O-CD2 3.48Å; Q328-Y330 PolarHBondContact O-N 2.83Å; Q328-Y330 PolarHBondContact OE1-OH 2.79Å; Y330-V332 PolarHBondContact O-N 2.83Å; Y330-G348 WeakPolarHBondContact CD1-O 3.16Å; Y330-H350 WeakPolarHBondContact CD1-O 3.12Å; Y330-C379 WeakPolarHBondContact CA-O 3.29Å; Y330-C379 WeakPolarHBondContact CB-O 3.49Å; Y330-C379 PolarHBondContact N-O 3.34Å; Y330-C379 PolarHBondContact O-N 2.9Å; Y330-K381 HydrophobicContact CD2-CB 3.53Å; Y330-K381 HydrophobicContact CE2-CB 3.64Å
331P45.5Very low48.7Very low1 Ų186.3 Ų86.31%0.00639%0.393CS..EExtended strand (participates in β ladder)trans-70.6121.5175.626.6-29.5000109.4Y346 Y352 I355 L370 I376P331-Y346 HydrophobicContact CB-CD1 4.25Å; P331-Y346 HydrophobicContact CG-CD1 4.08Å; P331-Y352 HydrophobicContact CG-CD2 4.32Å; P331-Y352 HydrophobicContact CG-CE2 4.49Å; P331-I355 HydrophobicContact CG-CD1 3.59Å; P331-L370 HydrophobicContact CB-CD1 4.03Å; P331-L370 HydrophobicContact CB-CD2 4.16Å; P331-L370 HydrophobicContact CG-CD1 4.26Å; P331-I376 HydrophobicContact CB-CG2 3.66Å
332V42.3Very low47.7Very low48 Ų4886.4 Ų86.429%0.29140%0.401SS..EExtended strand (participates in β ladder)trans-108.5113.7175.4-176.70000107.6Y330 V334 V377 C379Y330-V332 PolarHBondContact O-N 2.83Å; V332-V334 PolarHBondContact O-N 2.86Å; V332-V377 PolarHBondContact N-O 2.9Å; V332-V377 PolarHBondContact O-N 3.38Å; V332-C379 HydrophobicContact CG2-CB 4.17Å
333K44.1Very low47Very low65 Ų6587 Ų8728%0.28340%0.403SS..EExtended strand (participates in β ladder)trans-76.4119.8172.5-165.7173.3-176.9176.60108.8Y346 I376K333-Y346 PolarHBondContact N-O 3.37Å; K333-I376 HydrophobicContact CB-CG1 4.43Å; K333-I376 HydrophobicContact CG-CG1 4.2Å
334V46.7Very low46.3Very low99 Ų9997 Ų9760%0.644%0.441SS*.  trans-81.5-19.5-174.2179.90000112.3V332 N375 V377V332-V334 PolarHBondContact O-N 2.86Å; V334-N375 PolarHBondContact N-O 3.48Å; V334-V377 HydrophobicContact CG2-CB 4.06Å; V334-V377 HydrophobicContact CG2-CG2 3.53Å
335V41.6Very low45.4Very low65 Ų6598 Ų9839%0.39445%0.446SS..SBendtrans-119.6120.9-179.1-173.60000111.7D337V335-D337 PolarHBondContact O-N 2.98Å; V335-D337 VanDerWaalsContact O-N 3.16Å
336R42Very low45.1Very low252 Ų25292.8 Ų92.895%0.95143%0.427SS*.  trans-73.994.8168.3-74.3-176.2178.5-179.70.5108.6
337D37.8Very low44.3Very low114 Ų11496 Ų9661%0.6145%0.448SS*.  trans-119.1120.8168.2-138.8-18.3000109.6V335 R339V335-D337 PolarHBondContact O-N 2.98Å; V335-D337 VanDerWaalsContact O-N 3.16Å; D337-R339 PolarHBondContact O-N 3.31Å; D337-R339 VanDerWaalsContact O-N 3.12Å
338E40Very low43.8Very low188 Ų18895.4 Ų95.488%0.87945%0.449SS*.THydrogen-bonded Turntrans-74.97.5-163.3-81.8-160.8143.600115.4
339R40.1Very low43.3Very low240 Ų24098.5 Ų98.591%0.90647%0.473SS*.THydrogen-bonded Turntrans-112.97.6-164.3-76.6-175.8174.6179.1-0.3118.4D337D337-R339 PolarHBondContact O-N 3.31Å; D337-R339 VanDerWaalsContact O-N 3.12Å
340S38.4Very low42.8Very low61 Ų6199.4 Ų99.443%0.42748%0.478SS..SBendtrans-125.7106.8174.263.10000111.9P343S340-P343 WeakPolarHBondContact O-CG 3.37Å
341R39.4Very low42.9Very low245 Ų24597.5 Ų97.593%0.92547%0.471SS*.SBendtrans-63.6137.9163.7-68.2-178.8178-1730.3109.4
342P42.7Very low43.3Very low71 Ų7197.7 Ų97.746%0.46147%0.471SS..  cis-99.6115.23.332.5-22.3000111.9R344P342-R344 PolarHBondContact O-N 3.47Å
343P42.8Very low43.8Very low75 Ų7595.7 Ų95.749%0.48746%0.459SS..THydrogen-bonded Turntrans-87.916.5-176.110.212.7000112.3S340S340-P343 WeakPolarHBondContact O-CG 3.37Å
344R45.5Very low44.3Very low215 Ų21594.1 Ų94.181%0.81145%0.452SS*.THydrogen-bonded Turntrans-107.7-4.7-169.9-79.3-174.2175-174.3-1.6115.7P342P342-R344 PolarHBondContact O-N 3.47Å
345L42.2Very low44.7Very low25 Ų2589.4 Ų89.413%0.13142%0.424CS..SBendtrans-109.8-13.3-176.2-78.1154.8000114.3T347 I355 K358 T359L345-T347 PolarHBondContact O-N 3.14Å; L345-I355 HydrophobicContact CB-CG1 4.27Å; L345-I355 HydrophobicContact CD2-CG1 4.31Å; L345-K358 HydrophobicContact CD2-CB 4.47Å; L345-K358 HydrophobicContact CD2-CD 3.71Å; L345-T359 HydrophobicContact CD1-CG2 3.9Å
346Y48.4Very low45.2Very low38 Ų3887.2 Ų87.215%0.14941%0.411CS..  trans-100.945.9-174.4-56.7-68.1000113.5P331 K333 I355 L370P331-Y346 HydrophobicContact CB-CD1 4.25Å; P331-Y346 HydrophobicContact CG-CD1 4.08Å; K333-Y346 PolarHBondContact N-O 3.37Å; Y346-I355 HydrophobicContact CD1-CD1 4.41Å; Y346-L370 HydrophobicContact CE1-CD2 4.12Å
347T42.7Very low45.6Very low85 Ų8577.5 Ų77.552%0.52138%0.381SS..BIsolated β-bridgetrans-100.55.4-17741.90000113.8L345 C349L345-T347 PolarHBondContact O-N 3.14Å; T347-C349 PolarHBondContact O-N 3.09Å
348G44.8Very low46.4Very low18 Ų1878.3 Ų78.319%0.18638%0.38CS..SBendtrans74.51.9-176.500000115.3Y330Y330-G348 WeakPolarHBondContact CD1-O 3.16Å
349C40.3Very low46.8Very low96 Ų9671.5 Ų71.565%0.64935%0.351SS*.SBendtrans-101.8-14.7176.4-62.70000113.4T347T347-C349 PolarHBondContact O-N 3.09Å
350H43.4Very low47.1Very low47 Ų4763.5 Ų63.522%0.21834%0.343CS..SBendtrans-103.6123.1-179.2-63.9-59.5000109.3Y330 E354 I355Y330-H350 WeakPolarHBondContact CD1-O 3.12Å; H350-E354 HydrophobicContact CB-CB 4.33Å; H350-E354 IonicContact CE1-OE2 3.85Å; H350-E354 IonicContact CG-OE2 3.73Å; H350-E354 IonicContact ND1-OE2 3.85Å; H350-E354 PolarHBondContact ND1-OE2 3.02Å; H350-I355 HydrophobicContact CB-CD1 4.35Å; H350-I355 HydrophobicContact CB-CG1 4.04Å
351S51Low47.9Very low0 Ų062.2 Ų62.20%033%0.331CS..  trans-64.3152.617568.60000110.1D353 E354 I355S351-D353 PolarHBondContact O-N 3.1Å; S351-E354 WeakPolarHBondContact O-CB 3.09Å; S351-E354 PolarHBondContact O-N 3.06Å; S351-E354 PolarHBondContact OG-N 3.19Å; S351-I355 PolarHBondContact O-N 2.94Å
352Y53.7Low48.4Very low4 Ų453.4 Ų53.42%0.01631%0.307CS..Hα-helixtrans-47.8-35.9174.1-138.3-106.6000113.1K329 P331 I355 C356 Y363 L366 D367 L370K329-Y352 HydrophobicContact CB-CD2 3.84Å; K329-Y352 HydrophobicContact CB-CE2 4.38Å; K329-Y352 HydrophobicContact CB-CG 4.3Å; K329-Y352 WeakPolarHBondContact O-CB 3.2Å; K329-Y352 PolarHBondContact O-N 3.1Å; K329-Y352 VanDerWaalsContact O-N 3.16Å; P331-Y352 HydrophobicContact CG-CD2 4.32Å; P331-Y352 HydrophobicContact CG-CE2 4.49Å; Y352-I355 PolarHBondContact O-N 3.28Å; Y352-C356 WeakPolarHBondContact O-CB 3.36Å; Y352-C356 PolarHBondContact O-N 3.37Å; Y352-C356 PolarHBondContact O-SG 3.41Å; Y352-Y363 AromaticContact CD1-CD2 3.49Å; Y352-Y363 HydrophobicContact CD1-CD2 3.49Å; Y352-Y363 VanDerWaalsContact CD1-CD2 3.49Å; Y352-Y363 AromaticContact CD1-CE2 3.32Å; Y352-Y363 HydrophobicContact CD1-CE2 3.32Å; Y352-Y363 HydrophobicContact CD1-CG 4.38Å; Y352-Y363 AromaticContact CE1-CD2 3.73Å; Y352-Y363 HydrophobicContact CE1-CD2 3.73Å; Y352-Y363 AromaticContact CE1-CE2 3.66Å; Y352-Y363 HydrophobicContact CE1-CE2 3.66Å; Y352-Y363 HydrophobicContact CE1-CG 4.2Å; Y352-Y363 HydrophobicContact CG-CE2 4.27Å; Y352-L366 HydrophobicContact CD1-CD2 3.82Å; Y352-L366 HydrophobicContact CD2-CD2 4.24Å; Y352-L366 HydrophobicContact CE1-CB 3.99Å; Y352-L366 HydrophobicContact CE1-CD2 3.59Å; Y352-L366 HydrophobicContact CE1-CG 3.94Å; Y352-L366 HydrophobicContact CE2-CD2 3.99Å; Y352-L366 HydrophobicContact CE2-CG 4.26Å; Y352-L366 HydrophobicContact CG-CD2 4.15Å; Y352-L366 PolarHBondContact OH-O 2.99Å; Y352-D367 VanDerWaalsContact CZ-OD1 3.25Å; Y352-D367 WeakPolarHBondContact OH-CA 2.96Å; Y352-D367 PolarHBondContact OH-N 2.95Å; Y352-D367 PolarHBondContact OH-OD1 3.29Å; Y352-L370 HydrophobicContact CD2-CD1 4.42Å; Y352-L370 HydrophobicContact CE2-CD1 3.3Å; Y352-L370 VanDerWaalsContact OH-CD1 3.3Å; Y352-L370 WeakPolarHBondContact OH-CD1 3.35Å
353D51.5Low49Very low6 Ų651.3 Ų51.33%0.03229%0.29CS..Hα-helixtrans-68.9-38.2179.1-64.4-23.1000112.1Y173 R326 S351 I355 C357Y173-D353 HydrophobicContact CD1-CB 4.13Å; Y173-D353 HydrophobicContact CD2-CB 4.08Å; Y173-D353 HydrophobicContact CE1-CB 4.46Å; Y173-D353 HydrophobicContact CE2-CB 4.4Å; Y173-D353 HydrophobicContact CG-CB 3.92Å; R326-D353 IonicContact CZ-OD1 2.95Å; R326-D353 IonicContact CZ-OD2 2.94Å; R326-D353 IonicContact NH1-OD1 3.76Å; R326-D353 IonicContact NH1-OD2 3.89Å; R326-D353 PolarHBondContact NH1-OD2 3.1Å; R326-D353 IonicContact NH2-OD1 3.96Å; R326-D353 PolarHBondContact NH2-OD1 3.48Å; R326-D353 IonicContact NH2-OD2 2.64Å; R326-D353 PolarHBondContact NH2-OD2 2.85Å; S351-D353 PolarHBondContact O-N 3.1Å; D353-I355 VanDerWaalsContact C-N 3.32Å; D353-I355 PolarHBondContact O-N 2.86Å; D353-C357 WeakPolarHBondContact O-CB 3.47Å; D353-C357 PolarHBondContact O-N 2.76Å; D353-C357 PolarHBondContact O-SG 3.23Å
354E54.9Low49.5Very low32 Ų3253.3 Ų53.315%0.1529%0.293CS..Hα-helixtrans-64.6-37.6173.5-79.4-179.1-137.200112.2Y173 H350 S351 K358Y173-E354 HydrophobicContact CD1-CG 4.46Å; Y173-E354 HydrophobicContact CE1-CB 4.39Å; Y173-E354 HydrophobicContact CE1-CG 3.41Å; Y173-E354 VanDerWaalsContact CE1-CG 3.41Å; Y173-E354 PolarHBondContact OH-OE1 2.96Å; H350-E354 HydrophobicContact CB-CB 4.33Å; H350-E354 IonicContact CE1-OE2 3.85Å; H350-E354 IonicContact CG-OE2 3.73Å; H350-E354 IonicContact ND1-OE2 3.85Å; H350-E354 PolarHBondContact ND1-OE2 3.02Å; S351-E354 WeakPolarHBondContact O-CB 3.09Å; S351-E354 PolarHBondContact O-N 3.06Å; S351-E354 PolarHBondContact OG-N 3.19Å; E354-K358 VanDerWaalsContact O-CB 3.29Å; E354-K358 WeakPolarHBondContact O-CB 3.27Å; E354-K358 VanDerWaalsContact O-CG 3.32Å; E354-K358 WeakPolarHBondContact O-CG 3.44Å; E354-K358 PolarHBondContact O-N 3.46Å; E354-K358 IonicContact OE2-NZ 3.11Å
355I55Low50Low0 Ų047.8 Ų47.80%028%0.276CS..Hα-helixtrans-71.1-47-179.9-57.5173.6000109.3P331 L345 Y346 H350 S351 Y352 D353 C357 K358 T359 L366P331-I355 HydrophobicContact CG-CD1 3.59Å; L345-I355 HydrophobicContact CB-CG1 4.27Å; L345-I355 HydrophobicContact CD2-CG1 4.31Å; Y346-I355 HydrophobicContact CD1-CD1 4.41Å; H350-I355 HydrophobicContact CB-CD1 4.35Å; H350-I355 HydrophobicContact CB-CG1 4.04Å; S351-I355 PolarHBondContact O-N 2.94Å; Y352-I355 PolarHBondContact O-N 3.28Å; D353-I355 VanDerWaalsContact C-N 3.32Å; D353-I355 PolarHBondContact O-N 2.86Å; I355-C357 PolarHBondContact O-N 2.87Å; I355-K358 PolarHBondContact O-N 2.92Å; I355-T359 HydrophobicContact CG2-CG2 4.18Å; I355-T359 VanDerWaalsContact O-CB 3.29Å; I355-T359 WeakPolarHBondContact O-CB 3.49Å; I355-T359 VanDerWaalsContact O-CG2 3.3Å; I355-T359 WeakPolarHBondContact O-CG2 3.44Å; I355-T359 PolarHBondContact O-N 2.99Å; I355-T359 PolarHBondContact O-OG1 3.39Å; I355-L366 HydrophobicContact CB-CD2 4.16Å; I355-L366 HydrophobicContact CG2-CD1 4.16Å; I355-L366 HydrophobicContact CG2-CD2 3.86Å
356C52.4Low50.8Low20 Ų2046.6 Ų46.614%0.13527%0.27CS..Hα-helixtrans-59.5-44174.5-71.40000112.1Y352 G360 L366Y352-C356 WeakPolarHBondContact O-CB 3.36Å; Y352-C356 PolarHBondContact O-N 3.37Å; Y352-C356 PolarHBondContact O-SG 3.41Å; C356-G360 WeakPolarHBondContact O-CA 3.12Å; C356-G360 PolarHBondContact O-N 3.31Å; C356-L366 WeakPolarHBondContact SG-CD2 3.31Å
357C50.5Low51.2Low47 Ų4746.2 Ų46.232%0.31827%0.27SS..Hα-helixtrans-67.2-38.3179.3-67.90000112.7D353 I355D353-C357 WeakPolarHBondContact O-CB 3.47Å; D353-C357 PolarHBondContact O-N 2.76Å; D353-C357 PolarHBondContact O-SG 3.23Å; I355-C357 PolarHBondContact O-N 2.87Å
358K53.7Low51.9Low132 Ų13248 Ų4857%0.57427%0.273SS*.Hα-helixtrans-79.4-26.7179.3-74.9174.8178.41650114L345 E354 I355L345-K358 HydrophobicContact CD2-CB 4.47Å; L345-K358 HydrophobicContact CD2-CD 3.71Å; E354-K358 VanDerWaalsContact O-CB 3.29Å; E354-K358 WeakPolarHBondContact O-CB 3.27Å; E354-K358 VanDerWaalsContact O-CG 3.32Å; E354-K358 WeakPolarHBondContact O-CG 3.44Å; E354-K358 PolarHBondContact O-N 3.46Å; E354-K358 IonicContact OE2-NZ 3.11Å; I355-K358 PolarHBondContact O-N 2.92Å
359T50Low52.5Low45 Ų4553.5 Ų53.528%0.27629%0.288SS..Hα-helixtrans-97.6-15.6-17859.90000112.9L345 I355 I361L345-T359 HydrophobicContact CD1-CG2 3.9Å; I355-T359 HydrophobicContact CG2-CG2 4.18Å; I355-T359 VanDerWaalsContact O-CB 3.29Å; I355-T359 WeakPolarHBondContact O-CB 3.49Å; I355-T359 VanDerWaalsContact O-CG2 3.3Å; I355-T359 WeakPolarHBondContact O-CG2 3.44Å; I355-T359 PolarHBondContact O-N 2.99Å; I355-T359 PolarHBondContact O-OG1 3.39Å; T359-I361 PolarHBondContact O-N 3.42Å
360G46.5Very low53.3Low72 Ų7249.3 Ų49.374%0.74226%0.259SS*.  trans67.49.9-174.400000113.5C356C356-G360 WeakPolarHBondContact O-CA 3.12Å; C356-G360 PolarHBondContact O-N 3.31Å
361I55.2Low53.8Low34 Ų3454.4 Ų54.417%0.17428%0.283CS..  trans-86.3140.2-177.7-60.3172.4000108.9T359 E365 L366T359-I361 PolarHBondContact O-N 3.42Å; I361-E365 HydrophobicContact CG2-CB 3.67Å; I361-E365 HydrophobicContact CG2-CG 3.8Å; I361-L366 HydrophobicContact CG2-CB 4.25Å
362S50.2Low53.8Low59 Ų5960.6 Ų60.641%0.41332%0.316SS..  trans-68.3150.9177.675.20000111.5Q364 E365 L366S362-Q364 PolarHBondContact O-N 3.39Å; S362-Q364 VanDerWaalsContact O-N 3.09Å; S362-E365 PolarHBondContact O-N 3.02Å; S362-E365 VanDerWaalsContact O-N 3.13Å; S362-E365 WeakPolarHBondContact OG-CB 3.49Å; S362-E365 PolarHBondContact OG-N 2.9Å; S362-L366 PolarHBondContact O-N 3.02Å
363Y54.7Low53.8Low27 Ų2764.1 Ų64.111%0.10634%0.335CS..Hα-helixtrans-53.8-33.1178.4-172.9-85.2000112.7K329 Y352 D367K329-Y363 PolarHBondContact NZ-OH 2.95Å; Y352-Y363 AromaticContact CD1-CD2 3.49Å; Y352-Y363 HydrophobicContact CD1-CD2 3.49Å; Y352-Y363 VanDerWaalsContact CD1-CD2 3.49Å; Y352-Y363 AromaticContact CD1-CE2 3.32Å; Y352-Y363 HydrophobicContact CD1-CE2 3.32Å; Y352-Y363 HydrophobicContact CD1-CG 4.38Å; Y352-Y363 AromaticContact CE1-CD2 3.73Å; Y352-Y363 HydrophobicContact CE1-CD2 3.73Å; Y352-Y363 AromaticContact CE1-CE2 3.66Å; Y352-Y363 HydrophobicContact CE1-CE2 3.66Å; Y352-Y363 HydrophobicContact CE1-CG 4.2Å; Y352-Y363 HydrophobicContact CG-CE2 4.27Å; Y363-D367 WeakPolarHBondContact CE1-OD2 3.27Å; Y363-D367 WeakPolarHBondContact O-CB 3.38Å; Y363-D367 PolarHBondContact O-N 3.31Å
364Q52.4Low53.5Low118 Ų11869.7 Ų69.755%0.55137%0.372SS*.Hα-helixtrans-74.1-44.5179.6-69176.3-11.500112.1S362 L366 D367 E368S362-Q364 PolarHBondContact O-N 3.39Å; S362-Q364 VanDerWaalsContact O-N 3.09Å; Q364-L366 VanDerWaalsContact C-N 3.28Å; Q364-L366 PolarHBondContact O-N 3.19Å; Q364-D367 PolarHBondContact O-N 3.25Å; Q364-E368 WeakPolarHBondContact O-CB 3.42Å; Q364-E368 WeakPolarHBondContact O-CG 3.17Å; Q364-E368 PolarHBondContact O-N 3.14Å
365E56.9Low53.1Low99 Ų9972.1 Ų72.146%0.46339%0.386SS..Hα-helixtrans-70.6-28.8178.6-171.2176.3-171.700111.5I361 S362 R369I361-E365 HydrophobicContact CG2-CB 3.67Å; I361-E365 HydrophobicContact CG2-CG 3.8Å; S362-E365 PolarHBondContact O-N 3.02Å; S362-E365 VanDerWaalsContact O-N 3.13Å; S362-E365 WeakPolarHBondContact OG-CB 3.49Å; S362-E365 PolarHBondContact OG-N 2.9Å; E365-R369 WeakPolarHBondContact O-CB 3.34Å; E365-R369 PolarHBondContact O-N 3.22Å
366L58.3Low53Low0 Ų073 Ų730%039%0.391CS..Hα-helixtrans-72.1-40.9170.5-165.165.5000111.7Y352 I355 C356 I361 S362 Q364 R369 L370Y352-L366 HydrophobicContact CD1-CD2 3.82Å; Y352-L366 HydrophobicContact CD2-CD2 4.24Å; Y352-L366 HydrophobicContact CE1-CB 3.99Å; Y352-L366 HydrophobicContact CE1-CD2 3.59Å; Y352-L366 HydrophobicContact CE1-CG 3.94Å; Y352-L366 HydrophobicContact CE2-CD2 3.99Å; Y352-L366 HydrophobicContact CE2-CG 4.26Å; Y352-L366 HydrophobicContact CG-CD2 4.15Å; Y352-L366 PolarHBondContact OH-O 2.99Å; I355-L366 HydrophobicContact CB-CD2 4.16Å; I355-L366 HydrophobicContact CG2-CD1 4.16Å; I355-L366 HydrophobicContact CG2-CD2 3.86Å; C356-L366 WeakPolarHBondContact SG-CD2 3.31Å; I361-L366 HydrophobicContact CG2-CB 4.25Å; S362-L366 PolarHBondContact O-N 3.02Å; Q364-L366 VanDerWaalsContact C-N 3.28Å; Q364-L366 PolarHBondContact O-N 3.19Å; L366-R369 PolarHBondContact O-N 3.02Å; L366-L370 HydrophobicContact CD1-CD1 4.4Å; L366-L370 HydrophobicContact CG-CD1 3.99Å; L366-L370 VanDerWaalsContact O-CB 3.3Å; L366-L370 WeakPolarHBondContact O-CB 3.26Å; L366-L370 VanDerWaalsContact O-CG 3.23Å; L366-L370 WeakPolarHBondContact O-CG 3.42Å; L366-L370 PolarHBondContact O-N 3.1Å
367D57.1Low52.8Low29 Ų2975.8 Ų75.816%0.15541%0.406CS..Hα-helixtrans-63.2-46.5174.6-92.4-13.4000110.7K329 Y352 Y363 Q364 R369 L370 E371K329-D367 IonicContact NZ-OD1 2.98Å; K329-D367 PolarHBondContact NZ-OD1 3.21Å; K329-D367 IonicContact NZ-OD2 3.32Å; K329-D367 PolarHBondContact NZ-OD2 3.03Å; Y352-D367 VanDerWaalsContact CZ-OD1 3.25Å; Y352-D367 WeakPolarHBondContact OH-CA 2.96Å; Y352-D367 PolarHBondContact OH-N 2.95Å; Y352-D367 PolarHBondContact OH-OD1 3.29Å; Y363-D367 WeakPolarHBondContact CE1-OD2 3.27Å; Y363-D367 WeakPolarHBondContact O-CB 3.38Å; Y363-D367 PolarHBondContact O-N 3.31Å; Q364-D367 PolarHBondContact O-N 3.25Å; D367-R369 VanDerWaalsContact C-N 3.34Å; D367-R369 PolarHBondContact O-N 3.17Å; D367-L370 PolarHBondContact O-N 2.91Å; D367-E371 WeakPolarHBondContact O-CB 3.34Å; D367-E371 WeakPolarHBondContact O-CG 3.38Å; D367-E371 PolarHBondContact O-N 2.91Å
368E56.4Low52.9Low123 Ų12376 Ų7658%0.57540%0.404SS*.Hα-helixtrans-62.5-39.7176.5-75.6-180-179.800111.9Q364 L370 N372Q364-E368 WeakPolarHBondContact O-CB 3.42Å; Q364-E368 WeakPolarHBondContact O-CG 3.17Å; Q364-E368 PolarHBondContact O-N 3.14Å; E368-L370 VanDerWaalsContact C-N 3.33Å; E368-L370 PolarHBondContact O-N 3.43Å; E368-N372 VanDerWaalsContact O-CB 3.28Å; E368-N372 WeakPolarHBondContact O-CB 3.35Å; E368-N372 PolarHBondContact O-N 2.99Å; E368-N372 PolarHBondContact O-ND2 2.64Å
369R57.3Low52.6Low134 Ų13472.5 Ų72.551%0.50640%0.395SS..Hα-helixtrans-70.2-31.8179-161.4174.6-160.1136.43.5112.3E365 L366 D367 D373E365-R369 WeakPolarHBondContact O-CB 3.34Å; E365-R369 PolarHBondContact O-N 3.22Å; L366-R369 PolarHBondContact O-N 3.02Å; D367-R369 VanDerWaalsContact C-N 3.34Å; D367-R369 PolarHBondContact O-N 3.17Å; R369-D373 PolarHBondContact O-N 2.9Å
370L57.2Low52.6Low7 Ų775.9 Ų75.94%0.03740%0.403CS..Hα-helixtrans-82.3-33.1178-73.8173.3000113.1P331 Y346 Y352 L366 D367 E368 N372 D373 I376P331-L370 HydrophobicContact CB-CD1 4.03Å; P331-L370 HydrophobicContact CB-CD2 4.16Å; P331-L370 HydrophobicContact CG-CD1 4.26Å; Y346-L370 HydrophobicContact CE1-CD2 4.12Å; Y352-L370 HydrophobicContact CD2-CD1 4.42Å; Y352-L370 HydrophobicContact CE2-CD1 3.3Å; Y352-L370 VanDerWaalsContact OH-CD1 3.3Å; Y352-L370 WeakPolarHBondContact OH-CD1 3.35Å; L366-L370 HydrophobicContact CD1-CD1 4.4Å; L366-L370 HydrophobicContact CG-CD1 3.99Å; L366-L370 VanDerWaalsContact O-CB 3.3Å; L366-L370 WeakPolarHBondContact O-CB 3.26Å; L366-L370 VanDerWaalsContact O-CG 3.23Å; L366-L370 WeakPolarHBondContact O-CG 3.42Å; L366-L370 PolarHBondContact O-N 3.1Å; D367-L370 PolarHBondContact O-N 2.91Å; E368-L370 VanDerWaalsContact C-N 3.33Å; E368-L370 PolarHBondContact O-N 3.43Å; L370-N372 VanDerWaalsContact C-N 3.3Å; L370-D373 PolarHBondContact O-N 3.11Å; L370-I376 HydrophobicContact CD2-CB 3.96Å; L370-I376 HydrophobicContact CD2-CD1 3.35Å; L370-I376 HydrophobicContact CD2-CG1 4.2Å; L370-I376 HydrophobicContact CD2-CG2 3.53Å
371E54.3Low52.5Low155 Ų15579.5 Ų79.572%0.72440%0.398SS*.Hα-helixtrans-68.3-30.7170.3-76.3-176.8173.500112D367D367-E371 WeakPolarHBondContact O-CB 3.34Å; D367-E371 WeakPolarHBondContact O-CG 3.38Å; D367-E371 PolarHBondContact O-N 2.91Å
372N52Low52.3Low129 Ų12981.8 Ų81.869%0.6941%0.41SS*.SBendtrans-76.8-17.8175.6-77.3-45000114E368 L370 P374E368-N372 VanDerWaalsContact O-CB 3.28Å; E368-N372 WeakPolarHBondContact O-CB 3.35Å; E368-N372 PolarHBondContact O-N 2.99Å; E368-N372 PolarHBondContact O-ND2 2.64Å; L370-N372 VanDerWaalsContact C-N 3.3Å; N372-P374 VanDerWaalsContact O-CD 3.31Å; N372-P374 WeakPolarHBondContact O-CD 3.25Å
373D52.2Low52.4Low78 Ų7882.9 Ų82.942%0.41741%0.409SS..  trans-99.8102.7-179.7-88.9-28.7000111.3R369 L370 N375 I376R369-D373 PolarHBondContact O-N 2.9Å; L370-D373 PolarHBondContact O-N 3.11Å; D373-N375 PolarHBondContact O-N 2.85Å; D373-I376 HydrophobicContact CB-CD1 3.72Å; D373-I376 HydrophobicContact CB-CG1 4.16Å; D373-I376 PolarHBondContact O-N 2.95Å
374P46.5Very low52.3Low123 Ų12386.1 Ų86.180%0.79943%0.426SS*.THydrogen-bonded Turntrans-68.7-1.6-176.528.1-35.6000114.6N372N372-P374 VanDerWaalsContact O-CD 3.31Å; N372-P374 WeakPolarHBondContact O-CD 3.25Å
375N45.6Very low52.3Low84 Ų8484.2 Ų84.245%0.44942%0.419SS..THydrogen-bonded Turntrans-102.97.1-176.9-74.8-21.9000113.8V334 D373V334-N375 PolarHBondContact N-O 3.48Å; D373-N375 PolarHBondContact O-N 2.85Å
376I53.3Low52Low19 Ų1983.3 Ų83.310%0.09742%0.416CS..EExtended strand (participates in β ladder)trans-117.5115.8-177.3-55.4171.5000109.7P331 K333 L370 D373P331-I376 HydrophobicContact CB-CG2 3.66Å; K333-I376 HydrophobicContact CB-CG1 4.43Å; K333-I376 HydrophobicContact CG-CG1 4.2Å; L370-I376 HydrophobicContact CD2-CB 3.96Å; L370-I376 HydrophobicContact CD2-CD1 3.35Å; L370-I376 HydrophobicContact CD2-CG1 4.2Å; L370-I376 HydrophobicContact CD2-CG2 3.53Å; D373-I376 HydrophobicContact CB-CD1 3.72Å; D373-I376 HydrophobicContact CB-CG1 4.16Å; D373-I376 PolarHBondContact O-N 2.95Å
377V49.4Very low51.6Low77 Ų7788.8 Ų88.847%0.46744%0.444SS..EExtended strand (participates in β ladder)trans-95124.7176.7174.90000108.3V332 V334 C379V332-V377 PolarHBondContact N-O 2.9Å; V332-V377 PolarHBondContact O-N 3.38Å; V334-V377 HydrophobicContact CG2-CB 4.06Å; V334-V377 HydrophobicContact CG2-CG2 3.53Å; V377-C379 PolarHBondContact O-N 3.38Å
378I52.6Low51.2Low53 Ų5393.1 Ų93.127%0.27247%0.465SS..EExtended strand (participates in β ladder)trans-84.3107.8176.2-58.7173.5000108.3K329K329-I378 HydrophobicContact CB-CG2 3.68Å; K329-I378 HydrophobicContact CD-CG2 4.01Å; K329-I378 HydrophobicContact CG-CG2 3.7Å
379C46.2Very low50.8Low58 Ų5890.8 Ų90.839%0.39246%0.456SS..EExtended strand (participates in β ladder)trans-88.7123.7170.8-69.10000109.6Y330 V332 V377Y330-C379 WeakPolarHBondContact CA-O 3.29Å; Y330-C379 WeakPolarHBondContact CB-O 3.49Å; Y330-C379 PolarHBondContact N-O 3.34Å; Y330-C379 PolarHBondContact O-N 2.9Å; V332-C379 HydrophobicContact CG2-CB 4.17Å; V377-C379 PolarHBondContact O-N 3.38Å
380W49.2Very low50.3Low115 Ų11587.2 Ų87.244%0.43645%0.452SS..EExtended strand (participates in β ladder)trans-84.6124.3172.3-60.986.3000109.2V245 L327 K329V245-W380 HydrophobicContact CB-CH2 4.19Å; V245-W380 HydrophobicContact CB-CZ3 3.68Å; V245-W380 HydrophobicContact CG1-CZ3 4.39Å; V245-W380 HydrophobicContact CG2-CH2 3.57Å; V245-W380 HydrophobicContact CG2-CZ3 3.6Å; L327-W380 HydrophobicContact CB-CE3 3.92Å; L327-W380 HydrophobicContact CD2-CB 4.14Å; K329-W380 HydrophobicContact CD-CH2 4.02Å; K329-W380 HydrophobicContact CD-CZ2 4.32Å; K329-W380 HydrophobicContact CD-CZ3 4.3Å; K329-W380 HydrophobicContact CG-CD2 4.16Å; K329-W380 HydrophobicContact CG-CE3 3.76Å; K329-W380 HydrophobicContact CG-CH2 3.7Å; K329-W380 HydrophobicContact CG-CZ2 4.04Å; K329-W380 HydrophobicContact CG-CZ3 3.52Å
381K44.5Very low49.6Very low148 Ų14894.5 Ų94.564%0.64349%0.49SS*.  trans-136.70-179.2-159.2179.7-178.4-179.80112.8R325 Q328 Y330R325-K381 PolarHBondContact NH2-OXT 2.8Å; Q328-K381 PolarHBondContact N-O 2.77Å; Q328-K381 PolarHBondContact O-N 3.46Å; Y330-K381 HydrophobicContact CD2-CB 3.53Å; Y330-K381 HydrophobicContact CE2-CB 3.64Å

Retrieved 381 of 381 residues in 68.8 ms (Link to these results)

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