G4VES1_SCHMA Loading...

dihydropyrimidinase

AlphaFold DB , UniProt , Accession G4VES1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 587 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
1M37.9Very low36.7Very low244 Ų244159 Ų159100%1.20285%0.845SS**  0120.90-75.8176.5-172.500107.3
2N33.7Very low36.9Very low154 Ų154162.4 Ų162.482%0.82485%0.847SS**  trans-10.5130.9177.1-58.6-7.2000117.5
3D39.1Very low36.6Very low152 Ų152158.1 Ų158.181%0.81383%0.825SS**  -164.4157.284.2-128.5-30000114.7
4S35.9Very low36.3Very low95 Ų95152.5 Ų152.566%0.66480%0.803SS**  trans-87.6140.4-157.447.80000114.1
5R40.5Very low36.3Very low248 Ų248153.3 Ų153.394%0.93680%0.803SS**  trans-125107.7161.2-82.8-170.9179.7-178.20.7109.8Q7R5-Q7 PolarHBondContact O-N 3.42Å
6V35.9Very low36.3Very low129 Ų129152.9 Ų152.978%0.78280%0.796SS**  trans-60120174.7175.50000109.7V8V6-V8 HydrophobicContact CG1-CG2 4.5Å; V6-V8 PolarHBondContact O-N 3.18Å
7Q32.9Very low36.2Very low192 Ų192149.5 Ų149.590%0.89778%0.778SS**  trans-75.6110.2164.8-83-177.7-25.500108.8R5 G9R5-Q7 PolarHBondContact O-N 3.42Å; Q7-G9 PolarHBondContact O-N 3.09Å
8V37.9Very low36.1Very low130 Ų130147.6 Ų147.679%0.78877%0.765SS**  trans-78.1109.7167.6-176.90000107.5V6 V10V6-V8 HydrophobicContact CG1-CG2 4.5Å; V6-V8 PolarHBondContact O-N 3.18Å; V8-V10 PolarHBondContact O-N 3.04Å
9G33.4Very low36.7Very low66 Ų66141.9 Ų141.968%0.6874%0.74SS**  trans-62.6120.6179.300000112Q7 K11Q7-G9 PolarHBondContact O-N 3.09Å; G9-K11 PolarHBondContact O-N 2.81Å; G9-K11 VanDerWaalsContact O-N 3.12Å
10V37.9Very low37.5Very low139 Ų139136.9 Ų136.984%0.84272%0.717SS**  trans-69.5102.6167.1-1780000107.6V8 K12V8-V10 PolarHBondContact O-N 3.04Å; V10-K12 PolarHBondContact O-N 3.01Å
11K38.7Very low38.6Very low200 Ų200137.5 Ų137.587%0.8772%0.716SS**  trans-60.1108.7167.1-89.7-177.2174.7178.10108.2G9 L13G9-K11 PolarHBondContact O-N 2.81Å; G9-K11 VanDerWaalsContact O-N 3.12Å; K11-L13 PolarHBondContact O-N 3.4Å; K11-L13 VanDerWaalsContact O-N 3.15Å
12K38.8Very low40.7Very low200 Ų200128.1 Ų128.187%0.8767%0.671SS**  trans-56.9114.9165.9-96.6-179.5172.5178.80108.4V10V10-K12 PolarHBondContact O-N 3.01Å
13L33.8Very low43.6Very low106 Ų106123.6 Ų123.656%0.55564%0.642SS**  trans-58.8141.9167-88.1136.3000109.3K11 M15 L17 Q18K11-L13 PolarHBondContact O-N 3.4Å; K11-L13 VanDerWaalsContact O-N 3.15Å; L13-M15 PolarHBondContact O-N 3.09Å; L13-L17 HydrophobicContact CD2-CB 4.41Å; L13-Q18 HydrophobicContact CB-CG 4.26Å
14P32.3Very low46.3Very low80 Ų80116.5 Ų116.552%0.51960%0.604SS.*  trans-57.1134.3175.5-18.929.8000110.3H16 L17 Q18P14-H16 PolarHBondContact O-N 2.79Å; P14-L17 HydrophobicContact CB-CD1 4.29Å; P14-L17 HydrophobicContact CG-CD1 3.97Å; P14-L17 PolarHBondContact O-N 2.95Å; P14-Q18 PolarHBondContact O-N 2.81Å
15M35.2Very low49.2Very low164 Ų164112.5 Ų112.581%0.80858%0.575SS**Hα-helixtrans-49-33.8-178.6-92.5-177.4-69.700113.7L13 L17 Q18 S19L13-M15 PolarHBondContact O-N 3.09Å; M15-L17 VanDerWaalsContact C-N 3.31Å; M15-L17 PolarHBondContact O-N 2.75Å; M15-Q18 PolarHBondContact O-N 2.93Å; M15-S19 PolarHBondContact O-N 3.22Å; M15-S19 VanDerWaalsContact O-N 3.16Å
16H36.6Very low51.9Low147 Ų147100.8 Ų100.868%0.68153%0.531SS*.Hα-helixtrans-66.4-30.2178.9-166.6-63.4000113.3P14 S20P14-H16 PolarHBondContact O-N 2.79Å; H16-S20 PolarHBondContact O-N 3.38Å
17L34.2Very low54.9Low96 Ų9698.8 Ų98.850%0.50351%0.512SS..Hα-helixtrans-81.5-27.6178.1-95.5126.1000113.1L13 P14 M15 S19 S20L13-L17 HydrophobicContact CD2-CB 4.41Å; P14-L17 HydrophobicContact CB-CD1 4.29Å; P14-L17 HydrophobicContact CG-CD1 3.97Å; P14-L17 PolarHBondContact O-N 2.95Å; M15-L17 VanDerWaalsContact C-N 3.31Å; M15-L17 PolarHBondContact O-N 2.75Å; L17-S19 VanDerWaalsContact C-N 3.35Å; L17-S20 PolarHBondContact O-OG 3.3Å
18Q34.8Very low57.8Low114 Ų11490.8 Ų90.853%0.53348%0.481SS..Hα-helixtrans-71.2-33.6169.7-75.5-177.1-32.600111.4L13 P14 M15L13-Q18 HydrophobicContact CB-CG 4.26Å; P14-Q18 PolarHBondContact O-N 2.81Å; M15-Q18 PolarHBondContact O-N 2.93Å
19S47.9Very low60.7Low41 Ų4184.6 Ų84.629%0.28744%0.444SS..Hα-helixtrans-66.1-36.2179.11320000113.4M15 L17 Q21 N22M15-S19 PolarHBondContact O-N 3.22Å; M15-S19 VanDerWaalsContact O-N 3.16Å; L17-S19 VanDerWaalsContact C-N 3.35Å; S19-Q21 VanDerWaalsContact C-N 3.29Å; S19-Q21 PolarHBondContact O-N 2.75Å; S19-N22 PolarHBondContact O-N 2.95Å
20S52.7Low63.8Low41 Ų4186.2 Ų86.229%0.28743%0.432SS..Hα-helixtrans-71.1-21.6-177.358.50000113.9H16 L17 N22 G61H16-S20 PolarHBondContact O-N 3.38Å; L17-S20 PolarHBondContact O-OG 3.3Å; S20-N22 VanDerWaalsContact C-N 3.34Å; S20-G61 WeakPolarHBondContact CB-O 3.49Å
21Q60.7Low66.7Low149 Ų14979.6 Ų79.670%0.69639%0.392SS*.THydrogen-bonded Turntrans-77.8-19.3178.4-73.5-172.6-15.300113.4S19S19-Q21 VanDerWaalsContact C-N 3.29Å; S19-Q21 PolarHBondContact O-N 2.75Å
22N80.9Confident69.5Low47 Ų4770 Ų7025%0.25135%0.35SS..THydrogen-bonded Turntrans-98.45.8-178-72.8-5000113.7S19 S20 E45 D46S19-N22 PolarHBondContact O-N 2.95Å; S20-N22 VanDerWaalsContact C-N 3.34Å; N22-E45 WeakPolarHBondContact O-CA 3.16Å; N22-D46 PolarHBondContact O-N 2.9Å; N22-D46 VanDerWaalsContact O-N 3.16Å
23R94.7Very high72.4Confident60 Ų6060.6 Ų60.623%0.22631%0.31CS..EExtended strand (participates in β ladder)trans-118.9117-179.5-69.9177.7174.5165.73.2110.7I44 E45 V62 R63R23-I44 WeakPolarHBondContact CA-O 3.45Å; R23-E45 HydrophobicContact CG-CB 4.43Å; R23-E45 HydrophobicContact CG-CG 4.03Å; R23-E45 IonicContact CZ-OE1 3.72Å; R23-E45 IonicContact NE-OE1 2.72Å; R23-E45 PolarHBondContact NE-OE1 2.84Å; R23-E45 IonicContact NH2-OE1 3.92Å; R23-E45 PolarHBondContact NH2-OE1 3.44Å; R23-V62 HydrophobicContact CB-CG1 4.47Å; R23-V62 HydrophobicContact CB-CG2 4.09Å; R23-R63 PolarHBondContact O-N 3.02Å; R23-R63 VanDerWaalsContact O-N 3.09Å
24L96.7Very high75.5Confident3 Ų357.3 Ų57.32%0.01629%0.293CS..EExtended strand (participates in β ladder)trans-123.5146.1179.7-56.3177000110.5Y43 I44 V62 R63 I65 V453 G456 V458L24-Y43 WeakPolarHBondContact O-CD2 3.42Å; L24-I44 HydrophobicContact CB-CB 4.14Å; L24-I44 HydrophobicContact CB-CD1 4.17Å; L24-I44 HydrophobicContact CD1-CD1 4.49Å; L24-I44 PolarHBondContact N-O 3.06Å; L24-I44 PolarHBondContact O-N 2.93Å; L24-V62 VanDerWaalsContact C-CG1 3.48Å; L24-R63 CarbonylContact C-O 3.56Å; L24-R63 WeakPolarHBondContact CA-O 3.5Å; L24-R63 HydrophobicContact CD2-CB 3.87Å; L24-R63 HydrophobicContact CD2-CG 4.03Å; L24-I65 HydrophobicContact CD1-CD1 4.42Å; L24-I65 HydrophobicContact CD2-CD1 4.47Å; L24-V453 HydrophobicContact CD1-CG1 3.83Å; L24-V453 HydrophobicContact CD1-CG2 4.39Å; L24-G456 WeakPolarHBondContact CD1-O 3.34Å; L24-V458 HydrophobicContact CD1-CG2 3.88Å; L24-V458 HydrophobicContact CD2-CG2 4.23Å
25L97.3Very high78.6Confident10 Ų1057.8 Ų57.85%0.05229%0.29CS..EExtended strand (participates in β ladder)trans-122.4115.8165.2179.177.1000108.1K27 D41 I42 L56 I58 V62 R63 I64 I65L25-K27 HydrophobicContact CD2-CB 4.38Å; L25-K27 HydrophobicContact CD2-CD 4.49Å; L25-D41 HydrophobicContact CD1-CB 4.25Å; L25-I42 WeakPolarHBondContact CA-O 3.34Å; L25-L56 HydrophobicContact CD1-CD1 4.14Å; L25-I58 HydrophobicContact CB-CD1 4.33Å; L25-I58 HydrophobicContact CD1-CD1 4.18Å; L25-I58 HydrophobicContact CD1-CG2 4.27Å; L25-I58 HydrophobicContact CD2-CD1 3.62Å; L25-I58 HydrophobicContact CG-CD1 4.26Å; L25-V62 HydrophobicContact CB-CG1 3.7Å; L25-R63 PolarHBondContact N-O 3.38Å; L25-I64 HydrophobicContact CB-CG1 4.38Å; L25-I64 HydrophobicContact CD2-CD1 4.46Å; L25-I64 HydrophobicContact CD2-CG1 4.15Å; L25-I64 HydrophobicContact CD2-CG2 4.43Å; L25-I64 CarbonylContact O-C 3.55Å; L25-I64 WeakPolarHBondContact O-CA 3.42Å; L25-I65 PolarHBondContact O-N 3.12Å
26I97.6Very high81.6Confident2 Ų256.7 Ų56.71%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-90.6120.8168-57.3176.7000107.3D41 I42 I44 I65 A67 V72 L415 I417 V453I26-D41 CarbonylContact O-C 3.4Å; I26-D41 VanDerWaalsContact O-CA 3.25Å; I26-D41 WeakPolarHBondContact O-CA 3.39Å; I26-I42 HydrophobicContact CB-CB 4.33Å; I26-I42 PolarHBondContact N-O 3.05Å; I26-I42 PolarHBondContact O-N 3.45Å; I26-I44 HydrophobicContact CD1-CD1 4.11Å; I26-I44 HydrophobicContact CG1-CD1 4.4Å; I26-I65 WeakPolarHBondContact CA-O 3.48Å; I26-A67 HydrophobicContact CG2-CB 3.61Å; I26-V72 HydrophobicContact CD1-CG1 4.3Å; I26-V72 HydrophobicContact CG2-CG2 3.84Å; I26-L415 HydrophobicContact CD1-CB 4.39Å; I26-L415 HydrophobicContact CD1-CD1 3.63Å; I26-I417 HydrophobicContact CG2-CD1 3.96Å; I26-I417 HydrophobicContact CG2-CG1 4.32Å; I26-V453 HydrophobicContact CD1-CG2 4.49Å
27K97.1Very high84.5Confident87 Ų8753 Ų5338%0.37826%0.261SS..EExtended strand (participates in β ladder)trans-117.6137.1-169-168.1-178.7174.1-1690112.6L25 G29 D41 I64 I65 A67L25-K27 HydrophobicContact CD2-CB 4.38Å; L25-K27 HydrophobicContact CD2-CD 4.49Å; K27-G29 VanDerWaalsContact C-N 3.29Å; K27-G29 PolarHBondContact O-N 3.37Å; K27-D41 VanDerWaalsContact CA-OD1 3.31Å; K27-D41 WeakPolarHBondContact CA-OD1 3.09Å; K27-D41 WeakPolarHBondContact CG-OD1 3.4Å; K27-I64 HydrophobicContact CB-CG2 4.27Å; K27-I64 HydrophobicContact CD-CG2 4.47Å; K27-I65 PolarHBondContact N-O 2.96Å; K27-A67 WeakPolarHBondContact O-CA 3.4Å; K27-A67 PolarHBondContact O-N 3.15Å
28G95.3Very high87.6Confident24 Ų2451 Ų5125%0.24725%0.249CC..SBendtrans76.64.3169.500000116.4D41G28-D41 PolarHBondContact N-OD1 3.18Å
29G97.2Very high90.6Very high1 Ų150.5 Ų50.51%0.0125%0.254CS..  trans-76.1158.2-178.800000113.9K27 T39 A40 A67K27-G29 VanDerWaalsContact C-N 3.29Å; K27-G29 PolarHBondContact O-N 3.37Å; G29-T39 WeakPolarHBondContact O-CA 3.48Å; G29-A40 PolarHBondContact O-N 3.25Å; G29-A67 WeakPolarHBondContact CA-O 3.26Å
30K98.4Very high93Very high99 Ų9948.9 Ų48.943%0.4324%0.242SC..EExtended strand (participates in β ladder)trans-88.6103.4165.6-175.5177.7-74.8178.80108.9V32 M37 F38 R70 M71 V72K30-V32 PolarHBondContact O-N 2.81Å; K30-M37 HydrophobicContact CD-CB 4.16Å; K30-M37 HydrophobicContact CD-CE 3.63Å; K30-M37 HydrophobicContact CG-CB 4.28Å; K30-M37 HydrophobicContact CG-CE 4.41Å; K30-F38 CarbonylContact C-O 3.52Å; K30-R70 PolarHBondContact N-O 3.38Å; K30-M71 CarbonylContact O-C 3.51Å; K30-M71 VanDerWaalsContact O-CA 3.26Å; K30-M71 WeakPolarHBondContact O-CA 3.48Å; K30-V72 PolarHBondContact O-N 3.23Å
31V98.7Very high95.1Very high0 Ų048.1 Ų48.10%024%0.235CC..EExtended strand (participates in β ladder)trans-63.7128.4172.4-178.90000109.1M37 F38 A40 I42 V72 I407V31-M37 CarbonylContact O-C 3.52Å; V31-M37 VanDerWaalsContact O-CA 3.26Å; V31-M37 WeakPolarHBondContact O-CA 3.39Å; V31-F38 WeakPolarHBondContact CA-O 3.49Å; V31-F38 HydrophobicContact CB-CD1 4.42Å; V31-F38 HydrophobicContact CB-CD2 4.34Å; V31-F38 HydrophobicContact CB-CE1 4.11Å; V31-F38 HydrophobicContact CB-CE2 4.03Å; V31-F38 HydrophobicContact CB-CZ 3.91Å; V31-F38 WeakPolarHBondContact CB-O 3.42Å; V31-F38 HydrophobicContact CG1-CE1 3.85Å; V31-F38 HydrophobicContact CG1-CE2 4.25Å; V31-F38 HydrophobicContact CG1-CZ 3.66Å; V31-F38 HydrophobicContact CG2-CE2 4.27Å; V31-F38 HydrophobicContact CG2-CZ 4.49Å; V31-F38 PolarHBondContact N-O 2.76Å; V31-F38 PolarHBondContact O-N 2.85Å; V31-A40 HydrophobicContact CG2-CB 4Å; V31-I42 HydrophobicContact CG2-CD1 4.01Å; V31-I42 HydrophobicContact CG2-CG1 4.21Å; V31-V72 WeakPolarHBondContact CA-O 3.26Å; V31-I407 HydrophobicContact CG1-CB 3.89Å; V31-I407 HydrophobicContact CG1-CD1 3.88Å; V31-I407 HydrophobicContact CG1-CG1 4.41Å; V31-I407 HydrophobicContact CG1-CG2 3.85Å
32V98.8Very high96.9Very high0 Ų041 Ų410%020%0.202CC..EExtended strand (participates in β ladder)trans-123.2113.1175.9-174.50000108.3K30 M37 M71 V72 I73 P74 P383 V387K30-V32 PolarHBondContact O-N 2.81Å; V32-M37 HydrophobicContact CB-CG 4.4Å; V32-M37 HydrophobicContact CG1-CE 4.36Å; V32-M37 HydrophobicContact CG1-CG 3.98Å; V32-M37 HydrophobicContact CG2-CE 3.49Å; V32-M37 VanDerWaalsContact CG2-CE 3.49Å; V32-M37 HydrophobicContact CG2-CG 4.05Å; V32-M71 HydrophobicContact CG2-CB 3.99Å; V32-M71 HydrophobicContact CG2-CG 3.8Å; V32-M71 HydrophobicContact CG2-SD 3.9Å; V32-V72 PolarHBondContact N-O 3.21Å; V32-I73 HydrophobicContact CB-CG2 3.98Å; V32-I73 HydrophobicContact CG2-CG2 4.37Å; V32-P74 VanDerWaalsContact O-CD 3.29Å; V32-P74 WeakPolarHBondContact O-CD 3.41Å; V32-P383 HydrophobicContact CG1-CB 3.98Å; V32-V387 HydrophobicContact CB-CG2 4.33Å; V32-V387 HydrophobicContact CG1-CG2 3.86Å
33N98.9Very high97.8Very high2 Ų239 Ų391%0.01119%0.191CC..  trans-105.5178.4166.9-78.8-39.7000109.5D35 R36 C384 I407N33-D35 WeakPolarHBondContact CB-OD1 3.25Å; N33-D35 PolarHBondContact O-N 2.84Å; N33-R36 PolarHBondContact N-O 2.89Å; N33-C384 WeakPolarHBondContact O-CA 3.49Å; N33-C384 WeakPolarHBondContact O-CB 3.47Å; N33-C384 PolarHBondContact O-SG 3.42Å; N33-I407 PolarHBondContact ND2-O 3.34Å; N33-I407 PolarHBondContact OD1-N 3.31Å
34D98.6Very high97.9Very high37 Ų3736.1 Ų36.120%0.19818%0.18CC..SBendtrans-64.3-24.3176.264.2-46.4000113.7C384 A388 T392 K396 R406D34-C384 WeakPolarHBondContact CA-O 3.31Å; D34-A388 HydrophobicContact CB-CB 3.85Å; D34-T392 HydrophobicContact CB-CG2 4.17Å; D34-T392 WeakPolarHBondContact OD2-CG2 3.37Å; D34-K396 IonicContact OD2-NZ 2.85Å; D34-K396 PolarHBondContact OD2-NZ 3.45Å; D34-R406 IonicContact OD1-NH1 3.97Å; D34-R406 PolarHBondContact OD1-NH1 3.21Å
35D98.4Very high97.9Very high89 Ų8937.8 Ų37.848%0.47619%0.188SC..SBendtrans-96.8-33.3-175.558.5-40.7000114.3N33 R406N33-D35 WeakPolarHBondContact CB-OD1 3.25Å; N33-D35 PolarHBondContact O-N 2.84Å; D35-R406 IonicContact OD1-CZ 3.97Å; D35-R406 IonicContact OD1-NH1 3.73Å; D35-R406 PolarHBondContact OD1-NH1 3Å; D35-R406 IonicContact OD1-NH2 3.74Å; D35-R406 IonicContact OD2-CZ 3.75Å; D35-R406 IonicContact OD2-NH1 3.82Å; D35-R406 IonicContact OD2-NH2 2.83Å; D35-R406 PolarHBondContact OD2-NH2 2.9Å
36R98.3Very high97.7Very high141 Ų14142 Ų4253%0.53221%0.211SC..  trans-162.1161.8-174.860.7179.3-67.6-173.4-1.8113.9N33 F38N33-R36 PolarHBondContact N-O 2.89Å; R36-F38 HydrophobicContact CG-CD1 3.92Å; R36-F38 HydrophobicContact CG-CE1 4.13Å
37M98.3Very high97.6Very high70 Ų7042.5 Ų42.535%0.34522%0.216SC..EExtended strand (participates in β ladder)trans-110.5139.4167.6-53175.18800110.7K30 V31 V32 M71 P383 C384K30-M37 HydrophobicContact CD-CB 4.16Å; K30-M37 HydrophobicContact CD-CE 3.63Å; K30-M37 HydrophobicContact CG-CB 4.28Å; K30-M37 HydrophobicContact CG-CE 4.41Å; V31-M37 CarbonylContact O-C 3.52Å; V31-M37 VanDerWaalsContact O-CA 3.26Å; V31-M37 WeakPolarHBondContact O-CA 3.39Å; V32-M37 HydrophobicContact CB-CG 4.4Å; V32-M37 HydrophobicContact CG1-CE 4.36Å; V32-M37 HydrophobicContact CG1-CG 3.98Å; V32-M37 HydrophobicContact CG2-CE 3.49Å; V32-M37 VanDerWaalsContact CG2-CE 3.49Å; V32-M37 HydrophobicContact CG2-CG 4.05Å; M37-M71 HydrophobicContact CE-SD 3.93Å; M37-P383 HydrophobicContact CE-CB 3.82Å; M37-P383 HydrophobicContact CE-CG 3.97Å; M37-P383 HydrophobicContact SD-CB 4.34Å; M37-P383 HydrophobicContact SD-CG 4.44Å; M37-C384 VanDerWaalsContact CG-SG 3.58Å
38F98.1Very high97.7Very high54 Ų5439.9 Ų39.924%0.23721%0.207CC..EExtended strand (participates in β ladder)trans-158.9152.317558.5-80000111.7K30 V31 R36 A40 V52K30-F38 CarbonylContact C-O 3.52Å; V31-F38 WeakPolarHBondContact CA-O 3.49Å; V31-F38 HydrophobicContact CB-CD1 4.42Å; V31-F38 HydrophobicContact CB-CD2 4.34Å; V31-F38 HydrophobicContact CB-CE1 4.11Å; V31-F38 HydrophobicContact CB-CE2 4.03Å; V31-F38 HydrophobicContact CB-CZ 3.91Å; V31-F38 WeakPolarHBondContact CB-O 3.42Å; V31-F38 HydrophobicContact CG1-CE1 3.85Å; V31-F38 HydrophobicContact CG1-CE2 4.25Å; V31-F38 HydrophobicContact CG1-CZ 3.66Å; V31-F38 HydrophobicContact CG2-CE2 4.27Å; V31-F38 HydrophobicContact CG2-CZ 4.49Å; V31-F38 PolarHBondContact N-O 2.76Å; V31-F38 PolarHBondContact O-N 2.85Å; R36-F38 HydrophobicContact CG-CD1 3.92Å; R36-F38 HydrophobicContact CG-CE1 4.13Å; F38-A40 HydrophobicContact CD2-CB 3.83Å; F38-A40 HydrophobicContact CE2-CB 3.72Å; F38-V52 HydrophobicContact CE2-CG1 3.91Å; F38-V52 HydrophobicContact CZ-CG1 4.22Å
39T98Very high97.8Very high104 Ų10438.8 Ų38.864%0.63820%0.195SC*.EExtended strand (participates in β ladder)trans-82.3126.9174.8-60.10000109.9G29G29-T39 WeakPolarHBondContact O-CA 3.48Å
40A98Very high97.8Very high6 Ų644.1 Ų44.15%0.0522%0.215CC..  trans-159.2155.3176.500000110.8G29 V31 F38 V52G29-A40 PolarHBondContact O-N 3.25Å; V31-A40 HydrophobicContact CG2-CB 4Å; F38-A40 HydrophobicContact CD2-CB 3.83Å; F38-A40 HydrophobicContact CE2-CB 3.72Å; A40-V52 HydrophobicContact CB-CG1 3.94Å
41D98.1Very high97.8Very high25 Ų2542.7 Ų42.713%0.13421%0.21CC..EExtended strand (participates in β ladder)trans-85.9153164.2-55.8-28000109L25 I26 K27 G28 V52 G53 L56L25-D41 HydrophobicContact CD1-CB 4.25Å; I26-D41 CarbonylContact O-C 3.4Å; I26-D41 VanDerWaalsContact O-CA 3.25Å; I26-D41 WeakPolarHBondContact O-CA 3.39Å; K27-D41 VanDerWaalsContact CA-OD1 3.31Å; K27-D41 WeakPolarHBondContact CA-OD1 3.09Å; K27-D41 WeakPolarHBondContact CG-OD1 3.4Å; G28-D41 PolarHBondContact N-OD1 3.18Å; D41-V52 WeakPolarHBondContact O-CA 3.24Å; D41-G53 WeakPolarHBondContact CA-O 3.41Å; D41-G53 WeakPolarHBondContact CB-O 3.41Å; D41-G53 PolarHBondContact N-O 3.3Å; D41-G53 PolarHBondContact O-N 2.93Å; D41-L56 HydrophobicContact CB-CD1 3.82Å; D41-L56 HydrophobicContact CB-CG 4.18Å
42I98.3Very high97.8Very high0 Ų044.5 Ų44.50%022%0.221CC..EExtended strand (participates in β ladder)trans-126.3117.9178.7-55.6166.8000108.3L25 I26 V31 I44 I49 V52 V72 I407 L415L25-I42 WeakPolarHBondContact CA-O 3.34Å; I26-I42 HydrophobicContact CB-CB 4.33Å; I26-I42 PolarHBondContact N-O 3.05Å; I26-I42 PolarHBondContact O-N 3.45Å; V31-I42 HydrophobicContact CG2-CD1 4.01Å; V31-I42 HydrophobicContact CG2-CG1 4.21Å; I42-I44 HydrophobicContact CG2-CD1 4.44Å; I42-I44 HydrophobicContact CG2-CG1 4.09Å; I42-I49 HydrophobicContact CG2-CG1 4.29Å; I42-I49 HydrophobicContact CG2-CG2 3.81Å; I42-V52 HydrophobicContact CG1-CG1 4.49Å; I42-V52 HydrophobicContact CG2-CG2 4.48Å; I42-V72 HydrophobicContact CD1-CB 4.2Å; I42-V72 HydrophobicContact CD1-CG1 3.66Å; I42-I407 HydrophobicContact CD1-CD1 4.3Å; I42-I407 HydrophobicContact CD1-CG2 3.62Å; I42-I407 HydrophobicContact CG1-CG2 4.19Å; I42-L415 HydrophobicContact CD1-CD1 4.33Å; I42-L415 HydrophobicContact CG2-CD1 4.2Å
43Y98.1Very high97.7Very high4 Ų445.4 Ų45.42%0.01623%0.231CC..EExtended strand (participates in β ladder)trans-97.2128.9172.9176.5-123.9000110.6L24 E45 R50 Q51 I58 P59 V62L24-Y43 WeakPolarHBondContact O-CD2 3.42Å; Y43-E45 HydrophobicContact CE1-CB 4.26Å; Y43-E45 PolarHBondContact OH-OE2 3.3Å; Y43-R50 HydrophobicContact CD1-CB 3.66Å; Y43-R50 HydrophobicContact CD1-CG 4.38Å; Y43-R50 HydrophobicContact CE1-CB 4Å; Y43-R50 HydrophobicContact CE1-CG 4.28Å; Y43-R50 PolarHBondContact O-N 3.03Å; Y43-Q51 HydrophobicContact CD1-CG 4.41Å; Y43-Q51 PolarHBondContact N-O 2.82Å; Y43-Q51 PolarHBondContact O-N 2.95Å; Y43-I58 HydrophobicContact CD1-CG2 4.19Å; Y43-I58 HydrophobicContact CD2-CB 4.34Å; Y43-I58 HydrophobicContact CD2-CG2 3.76Å; Y43-I58 HydrophobicContact CE2-CB 4.49Å; Y43-I58 HydrophobicContact CE2-CG2 4.36Å; Y43-I58 HydrophobicContact CG-CG2 3.69Å; Y43-P59 WeakPolarHBondContact OH-CD 3.38Å; Y43-P59 WeakPolarHBondContact OH-CG 3.16Å; Y43-V62 HydrophobicContact CD2-CG1 4.46Å; Y43-V62 HydrophobicContact CE2-CG1 4.27Å; Y43-V62 HydrophobicContact CE2-CG2 3.87Å
44I97.7Very high97.4Very high0 Ų049.9 Ų49.90%026%0.262CS..EExtended strand (participates in β ladder)trans-121.1134.6-176.2-62.2158.5000108.7R23 L24 I26 I42 V48 A413 L415R23-I44 WeakPolarHBondContact CA-O 3.45Å; L24-I44 HydrophobicContact CB-CB 4.14Å; L24-I44 HydrophobicContact CB-CD1 4.17Å; L24-I44 HydrophobicContact CD1-CD1 4.49Å; L24-I44 PolarHBondContact N-O 3.06Å; L24-I44 PolarHBondContact O-N 2.93Å; I26-I44 HydrophobicContact CD1-CD1 4.11Å; I26-I44 HydrophobicContact CG1-CD1 4.4Å; I42-I44 HydrophobicContact CG2-CD1 4.44Å; I42-I44 HydrophobicContact CG2-CG1 4.09Å; I44-V48 WeakPolarHBondContact CA-O 3.44Å; I44-A413 HydrophobicContact CB-CB 4.25Å; I44-A413 HydrophobicContact CD1-CB 4.07Å; I44-A413 HydrophobicContact CG1-CB 3.91Å; I44-A413 HydrophobicContact CG2-CB 3.34Å; I44-L415 HydrophobicContact CD1-CD1 3.59Å; I44-L415 HydrophobicContact CG1-CD1 4.4Å
45E96.1Very high97Very high39 Ų3956.9 Ų56.918%0.18229%0.294CS..EExtended strand (participates in β ladder)trans-145.1132174-176.4171-146.500109.9N22 R23 Y43 G47 V48 R50N22-E45 WeakPolarHBondContact O-CA 3.16Å; R23-E45 HydrophobicContact CG-CB 4.43Å; R23-E45 HydrophobicContact CG-CG 4.03Å; R23-E45 IonicContact CZ-OE1 3.72Å; R23-E45 IonicContact NE-OE1 2.72Å; R23-E45 PolarHBondContact NE-OE1 2.84Å; R23-E45 IonicContact NH2-OE1 3.92Å; R23-E45 PolarHBondContact NH2-OE1 3.44Å; Y43-E45 HydrophobicContact CE1-CB 4.26Å; Y43-E45 PolarHBondContact OH-OE2 3.3Å; E45-G47 PolarHBondContact O-N 3.43Å; E45-V48 PolarHBondContact N-O 2.87Å; E45-V48 PolarHBondContact O-N 2.91Å; E45-V48 VanDerWaalsContact O-N 3.16Å; E45-R50 HydrophobicContact CB-CG 3.69Å
46D94.4Very high96.8Very high99 Ų9954.2 Ų54.253%0.52928%0.279SS..THydrogen-bonded Turntrans5539.5177.4-60.5-40.6000113.3N22 V48N22-D46 PolarHBondContact O-N 2.9Å; N22-D46 VanDerWaalsContact O-N 3.16Å; D46-V48 VanDerWaalsContact C-N 3.29Å; D46-V48 PolarHBondContact O-N 2.81Å
47G95.5Very high96.5Very high11 Ų1152.6 Ų52.611%0.11329%0.289CS..THydrogen-bonded Turntrans78.87.5177.200000115.3E45 A413 A455E45-G47 PolarHBondContact O-N 3.43Å; G47-A413 WeakPolarHBondContact O-CB 3.48Å; G47-A413 PolarHBondContact O-N 3.48Å; G47-A455 VanDerWaalsContact CA-O 3.27Å; G47-A455 WeakPolarHBondContact CA-O 3.5Å
48V97.8Very high96.1Very high33 Ų3352 Ų5220%0.229%0.287CS..EExtended strand (participates in β ladder)trans-125143.7-177.4-179.90000110.3I44 E45 D46 R50I44-V48 WeakPolarHBondContact CA-O 3.44Å; E45-V48 PolarHBondContact N-O 2.87Å; E45-V48 PolarHBondContact O-N 2.91Å; E45-V48 VanDerWaalsContact O-N 3.16Å; D46-V48 VanDerWaalsContact C-N 3.29Å; D46-V48 PolarHBondContact O-N 2.81Å; V48-R50 PolarHBondContact O-N 3.01Å
49I98.2Very high95.7Very high0 Ų052 Ų520%029%0.292CS..EExtended strand (participates in β ladder)trans-72.8117.6172.2-59.7174.6000109.1I42 V52 I407 D408 G410 S411 A413 L415I42-I49 HydrophobicContact CG2-CG1 4.29Å; I42-I49 HydrophobicContact CG2-CG2 3.81Å; I49-V52 HydrophobicContact CG2-CG2 3.55Å; I49-I407 HydrophobicContact CD1-CG2 4.06Å; I49-D408 WeakPolarHBondContact CB-O 3.31Å; I49-D408 WeakPolarHBondContact CG2-O 3.44Å; I49-G410 PolarHBondContact O-N 3.37Å; I49-S411 PolarHBondContact N-O 2.81Å; I49-A413 HydrophobicContact CG1-CB 4.28Å; I49-L415 HydrophobicContact CD1-CD1 4.46Å; I49-L415 HydrophobicContact CD1-CD2 4.07Å
50R97.7Very high95.3Very high114 Ų11450.1 Ų50.143%0.4329%0.294SS..EExtended strand (participates in β ladder)trans-97.8-36.7-176.7-66.3-54.9-175.2172.80.5113.9Y43 E45 V48 V409Y43-R50 HydrophobicContact CD1-CB 3.66Å; Y43-R50 HydrophobicContact CD1-CG 4.38Å; Y43-R50 HydrophobicContact CE1-CB 4Å; Y43-R50 HydrophobicContact CE1-CG 4.28Å; Y43-R50 PolarHBondContact O-N 3.03Å; E45-R50 HydrophobicContact CB-CG 3.69Å; V48-R50 PolarHBondContact O-N 3.01Å; R50-V409 WeakPolarHBondContact O-CG1 3.45Å
51Q97.8Very high94.8Very high69 Ų6952.2 Ų52.232%0.32232%0.316SS..EExtended strand (participates in β ladder)trans-144.1143.5178.2-58.6178.436.200109.6Y43 L56 S57Y43-Q51 HydrophobicContact CD1-CG 4.41Å; Y43-Q51 PolarHBondContact N-O 2.82Å; Y43-Q51 PolarHBondContact O-N 2.95Å; Q51-L56 HydrophobicContact CB-CD1 4.04Å; Q51-L56 HydrophobicContact CB-CD2 3.99Å; Q51-S57 PolarHBondContact NE2-O 2.98Å; Q51-S57 VanDerWaalsContact NE2-O 3.09Å
52V98Very high94.6Very high37 Ų3752.2 Ų52.222%0.22432%0.317CS..EExtended strand (participates in β ladder)trans-132.1124.4170.9-176.80000107.3F38 A40 D41 I42 I49 I407 V409F38-V52 HydrophobicContact CE2-CG1 3.91Å; F38-V52 HydrophobicContact CZ-CG1 4.22Å; A40-V52 HydrophobicContact CB-CG1 3.94Å; D41-V52 WeakPolarHBondContact O-CA 3.24Å; I42-V52 HydrophobicContact CG1-CG1 4.49Å; I42-V52 HydrophobicContact CG2-CG2 4.48Å; I49-V52 HydrophobicContact CG2-CG2 3.55Å; V52-I407 HydrophobicContact CG2-CG2 4.35Å; V52-V409 HydrophobicContact CG2-CG2 4.42Å
53G96.8Very high94.5Very high20 Ų2056.9 Ų56.921%0.20633%0.334CS..EExtended strand (participates in β ladder)trans159.4-172.2-178.700000113.4D41D41-G53 WeakPolarHBondContact CA-O 3.41Å; D41-G53 WeakPolarHBondContact CB-O 3.41Å; D41-G53 PolarHBondContact N-O 3.3Å; D41-G53 PolarHBondContact O-N 2.93Å
54S93.8Very high94.3Very high96 Ų9661.2 Ų61.267%0.67136%0.357SS*.SBendtrans-95.6149175.456.70000111.3L56S54-L56 PolarHBondContact O-N 3.48Å
55Q90.3Very high94.3Very high184 Ų18461.6 Ų61.686%0.8636%0.359SS*.SBendtrans57.145.1172.9-57179.6-2.500113.1
56L93.5Very high94.3Very high33 Ų3364.5 Ų64.517%0.17337%0.372CS..  trans-62.5137.2-176.4-57.8-176.9000112.1L25 D41 Q51 S54 I58L25-L56 HydrophobicContact CD1-CD1 4.14Å; D41-L56 HydrophobicContact CB-CD1 3.82Å; D41-L56 HydrophobicContact CB-CG 4.18Å; Q51-L56 HydrophobicContact CB-CD1 4.04Å; Q51-L56 HydrophobicContact CB-CD2 3.99Å; S54-L56 PolarHBondContact O-N 3.48Å; L56-I58 HydrophobicContact CB-CG2 3.96Å; L56-I58 PolarHBondContact O-N 3.44Å
57S91.7Very high94.4Very high106 Ų10659.8 Ų59.874%0.74135%0.347SS*.  trans-85.2104170-68.20000108.9Q51Q51-S57 PolarHBondContact NE2-O 2.98Å; Q51-S57 VanDerWaalsContact NE2-O 3.09Å
58I90.4Very high94.4Very high59 Ų5962.9 Ų62.930%0.30337%0.367SS..  trans-117.3148.4-175.461.6178.1000111.6L25 Y43 L56L25-I58 HydrophobicContact CB-CD1 4.33Å; L25-I58 HydrophobicContact CD1-CD1 4.18Å; L25-I58 HydrophobicContact CD1-CG2 4.27Å; L25-I58 HydrophobicContact CD2-CD1 3.62Å; L25-I58 HydrophobicContact CG-CD1 4.26Å; Y43-I58 HydrophobicContact CD1-CG2 4.19Å; Y43-I58 HydrophobicContact CD2-CB 4.34Å; Y43-I58 HydrophobicContact CD2-CG2 3.76Å; Y43-I58 HydrophobicContact CE2-CB 4.49Å; Y43-I58 HydrophobicContact CE2-CG2 4.36Å; Y43-I58 HydrophobicContact CG-CG2 3.69Å; L56-I58 HydrophobicContact CB-CG2 3.96Å; L56-I58 PolarHBondContact O-N 3.44Å
59P89.8Confident94.2Very high52 Ų5265.6 Ų65.634%0.33840%0.401SS..  trans-65.6163.5172.828.2-34000111.5Y43 V62Y43-P59 WeakPolarHBondContact OH-CD 3.38Å; Y43-P59 WeakPolarHBondContact OH-CG 3.16Å; P59-V62 HydrophobicContact CG-CG2 4.31Å; P59-V62 WeakPolarHBondContact O-CG2 3.39Å
60G88.5Confident94.1Very high66 Ų6669.7 Ų69.768%0.6842%0.417SS*.SBendtrans-68.9164.9171.500000113.2
61G88.9Confident94.2Very high50 Ų5065.3 Ų65.352%0.51540%0.402SS..SBendtrans75.821176.200000114.9S20S20-G61 WeakPolarHBondContact CB-O 3.49Å
62V93.5Very high94.2Very high24 Ų2462 Ų6215%0.14539%0.386CS..PPolyproline II helixtrans-87136176.5179.60000109.6R23 L24 L25 Y43 P59R23-V62 HydrophobicContact CB-CG1 4.47Å; R23-V62 HydrophobicContact CB-CG2 4.09Å; L24-V62 VanDerWaalsContact C-CG1 3.48Å; L25-V62 HydrophobicContact CB-CG1 3.7Å; Y43-V62 HydrophobicContact CD2-CG1 4.46Å; Y43-V62 HydrophobicContact CE2-CG1 4.27Å; Y43-V62 HydrophobicContact CE2-CG2 3.87Å; P59-V62 HydrophobicContact CG-CG2 4.31Å; P59-V62 WeakPolarHBondContact O-CG2 3.39Å
63R95.3Very high94.3Very high99 Ų9960.3 Ų60.337%0.37438%0.376SS..EExtended strand (participates in β ladder)trans-79125.5170170-179179.8-176.25.6109.5R23 L24 L25 E461R23-R63 PolarHBondContact O-N 3.02Å; R23-R63 VanDerWaalsContact O-N 3.09Å; L24-R63 CarbonylContact C-O 3.56Å; L24-R63 WeakPolarHBondContact CA-O 3.5Å; L24-R63 HydrophobicContact CD2-CB 3.87Å; L24-R63 HydrophobicContact CD2-CG 4.03Å; L25-R63 PolarHBondContact N-O 3.38Å; R63-E461 IonicContact CZ-OE1 3.79Å; R63-E461 IonicContact CZ-OE2 3.62Å; R63-E461 IonicContact NH2-OE1 3.09Å; R63-E461 PolarHBondContact NH2-OE1 2.88Å; R63-E461 IonicContact NH2-OE2 3.79Å; R63-E461 PolarHBondContact NH2-OE2 3.06Å
64I95.3Very high94.4Very high94 Ų9459.4 Ų59.448%0.48237%0.366SS..EExtended strand (participates in β ladder)trans-95.6133.5179.6-57.9175.6000109.3L25 K27L25-I64 HydrophobicContact CB-CG1 4.38Å; L25-I64 HydrophobicContact CD2-CD1 4.46Å; L25-I64 HydrophobicContact CD2-CG1 4.15Å; L25-I64 HydrophobicContact CD2-CG2 4.43Å; L25-I64 CarbonylContact O-C 3.55Å; L25-I64 WeakPolarHBondContact O-CA 3.42Å; K27-I64 HydrophobicContact CB-CG2 4.27Å; K27-I64 HydrophobicContact CD-CG2 4.47Å
65I96.5Very high94.6Very high9 Ų955 Ų555%0.04634%0.335CS..EExtended strand (participates in β ladder)trans-119.4116.8172.9-51.7174.7000107.5L24 L25 I26 K27 A67 I417 V451 V458L24-I65 HydrophobicContact CD1-CD1 4.42Å; L24-I65 HydrophobicContact CD2-CD1 4.47Å; L25-I65 PolarHBondContact O-N 3.12Å; I26-I65 WeakPolarHBondContact CA-O 3.48Å; K27-I65 PolarHBondContact N-O 2.96Å; I65-A67 PolarHBondContact O-N 3.37Å; I65-I417 HydrophobicContact CB-CD1 4.35Å; I65-I417 HydrophobicContact CG2-CD1 3.38Å; I65-V451 HydrophobicContact CD1-CG1 4.37Å; I65-V451 HydrophobicContact CG2-CG1 4.48Å; I65-V451 HydrophobicContact CG2-CG2 4.24Å; I65-V458 HydrophobicContact CD1-CG2 3.43Å; I65-V458 VanDerWaalsContact CD1-CG2 3.43Å
66E96.4Very high95Very high100 Ų10046.2 Ų46.247%0.46729%0.294SS..EExtended strand (participates in β ladder)trans-78.6120.5178.8-70.6-67156.600110.4
67A97.3Very high95.3Very high0 Ų044.7 Ų44.70%029%0.287CS..  trans-113.710.5177.900000112.5I26 K27 G29 I65 G69 R70 V72 I417I26-A67 HydrophobicContact CG2-CB 3.61Å; K27-A67 WeakPolarHBondContact O-CA 3.4Å; K27-A67 PolarHBondContact O-N 3.15Å; G29-A67 WeakPolarHBondContact CA-O 3.26Å; I65-A67 PolarHBondContact O-N 3.37Å; A67-G69 PolarHBondContact O-N 3.43Å; A67-R70 WeakPolarHBondContact O-CB 3.49Å; A67-R70 PolarHBondContact O-N 3.28Å; A67-V72 HydrophobicContact CB-CG2 3.9Å; A67-I417 HydrophobicContact CB-CD1 4Å; A67-I417 HydrophobicContact CB-CG1 4.39Å; A67-I417 HydrophobicContact CB-CG2 4.08Å
68S94.4Very high95.6Very high76 Ų7639.6 Ų39.653%0.53125%0.251SS..THydrogen-bonded Turntrans-50.9127.5178.9-66.90000111.6R70S68-R70 VanDerWaalsContact C-N 3.25Å; S68-R70 PolarHBondContact O-N 3.04Å
69G93.4Very high96Very high89 Ų8936.8 Ų36.892%0.91824%0.237SC*.THydrogen-bonded Turntrans79.9-4.7-177.800000115.3A67A67-G69 PolarHBondContact O-N 3.43Å
70R97.3Very high96.4Very high86 Ų8635 Ų3533%0.32522%0.224SC..SBendtrans-112.2165.5179.6-62.5-176.4-179.5127.3-2.6111.9K30 A67 S68 I417 D419K30-R70 PolarHBondContact N-O 3.38Å; A67-R70 WeakPolarHBondContact O-CB 3.49Å; A67-R70 PolarHBondContact O-N 3.28Å; S68-R70 VanDerWaalsContact C-N 3.25Å; S68-R70 PolarHBondContact O-N 3.04Å; R70-I417 HydrophobicContact CB-CG2 3.81Å; R70-I417 HydrophobicContact CG-CG2 4.41Å; R70-D419 HydrophobicContact CG-CB 4.42Å; R70-D419 IonicContact NE-OD2 3.59Å; R70-D419 PolarHBondContact NE-OD2 3.21Å; R70-D419 IonicContact NH2-OD2 2.66Å
71M98.6Very high96.9Very high23 Ų2331.9 Ų31.911%0.11319%0.191CC..EExtended strand (participates in β ladder)trans-88.5149.3171.7-68.9174.8-68.400110.3K30 V32 M37 I73 W372 P383 I417 W418K30-M71 CarbonylContact O-C 3.51Å; K30-M71 VanDerWaalsContact O-CA 3.26Å; K30-M71 WeakPolarHBondContact O-CA 3.48Å; V32-M71 HydrophobicContact CG2-CB 3.99Å; V32-M71 HydrophobicContact CG2-CG 3.8Å; V32-M71 HydrophobicContact CG2-SD 3.9Å; M37-M71 HydrophobicContact CE-SD 3.93Å; M71-I73 HydrophobicContact CB-CG2 4.14Å; M71-W372 HydrophobicContact CE-CH2 3.12Å; M71-W372 HydrophobicContact CE-CZ2 3.62Å; M71-W372 HydrophobicContact CE-CZ3 3.91Å; M71-W372 HydrophobicContact SD-CH2 3.9Å; M71-P383 HydrophobicContact SD-CB 4.16Å; M71-P383 HydrophobicContact SD-CG 4.39Å; M71-I417 CarbonylContact O-C 3.51Å; M71-I417 WeakPolarHBondContact O-CA 3.42Å; M71-W418 HydrophobicContact CB-CB 4.42Å; M71-W418 PolarHBondContact N-O 2.99Å; M71-W418 PolarHBondContact O-N 3.3Å
72V98.8Very high97.2Very high0 Ų030.2 Ų30.20%017%0.172CC..EExtended strand (participates in β ladder)trans-117.3117.8166.5-167.90000107I26 K30 V31 V32 I42 A67 I407 L415 V416I26-V72 HydrophobicContact CD1-CG1 4.3Å; I26-V72 HydrophobicContact CG2-CG2 3.84Å; K30-V72 PolarHBondContact O-N 3.23Å; V31-V72 WeakPolarHBondContact CA-O 3.26Å; V32-V72 PolarHBondContact N-O 3.21Å; I42-V72 HydrophobicContact CD1-CB 4.2Å; I42-V72 HydrophobicContact CD1-CG1 3.66Å; A67-V72 HydrophobicContact CB-CG2 3.9Å; V72-I407 HydrophobicContact CB-CD1 4.35Å; V72-I407 HydrophobicContact CG1-CD1 3.96Å; V72-I407 VanDerWaalsContact O-CD1 3.24Å; V72-I407 WeakPolarHBondContact O-CD1 3.19Å; V72-L415 HydrophobicContact CG1-CB 4.46Å; V72-V416 WeakPolarHBondContact CA-O 3.4Å
73I98.9Very high97.3Very high1 Ų129 Ų291%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-121.9153.4-173.567.5175.5000110V32 M71 M368 F386 V387 L415 V416 W418V32-I73 HydrophobicContact CB-CG2 3.98Å; V32-I73 HydrophobicContact CG2-CG2 4.37Å; M71-I73 HydrophobicContact CB-CG2 4.14Å; I73-M368 HydrophobicContact CD1-CE 3.57Å; I73-F386 HydrophobicContact CD1-CE1 3.85Å; I73-V387 HydrophobicContact CB-CG2 4.05Å; I73-V387 HydrophobicContact CG2-CG2 4.09Å; I73-L415 WeakPolarHBondContact O-CA 3.42Å; I73-V416 HydrophobicContact CD1-CB 4.29Å; I73-V416 HydrophobicContact CG1-CB 3.76Å; I73-V416 HydrophobicContact CG1-CG1 4.46Å; I73-V416 PolarHBondContact N-O 3.02Å; I73-V416 PolarHBondContact O-N 3.46Å; I73-W418 HydrophobicContact CD1-CB 3.92Å; I73-W418 HydrophobicContact CD1-CD2 4.12Å; I73-W418 HydrophobicContact CD1-CE3 4.16Å; I73-W418 HydrophobicContact CD1-CG 4.05Å; I73-W418 HydrophobicContact CG1-CB 4.2Å; I73-W418 HydrophobicContact CG2-CB 4.46Å
74P98.9Very high97.2Very high1 Ų127.6 Ų27.61%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-54.9142.5166.2-19.528.8000110.2V32 V387 I407V32-P74 VanDerWaalsContact O-CD 3.29Å; V32-P74 WeakPolarHBondContact O-CD 3.41Å; P74-V387 HydrophobicContact CG-CG1 3.77Å; P74-I407 HydrophobicContact CG-CG1 4Å
75G98.8Very high96.9Very high2 Ų223.7 Ų23.72%0.02115%0.145CC..PPolyproline II helixtrans-58.1142.117100000111.6T109 S391 D414G75-T109 WeakPolarHBondContact CA-OG1 3.37Å; G75-S391 WeakPolarHBondContact O-CB 3.16Å; G75-D414 PolarHBondContact N-O 3.27Å
76G98.9Very high96.4Very high0 Ų026.6 Ų26.60%017%0.166CC..EExtended strand (participates in β ladder)trans-58.6141.1179.900000111.3G107 T108 T109 T110G76-G107 PolarHBondContact N-O 3.21Å; G76-T108 CarbonylContact O-C 3.57Å; G76-T108 WeakPolarHBondContact O-CA 3.39Å; G76-T108 WeakPolarHBondContact O-CG2 3.4Å; G76-T109 PolarHBondContact O-N 2.86Å; G76-T110 PolarHBondContact O-N 2.86Å; G76-T110 VanDerWaalsContact O-N 3.16Å
77V98.9Very high95.5Very high1 Ų122.1 Ų22.11%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-110.6114.7170.4-177.50000107.3P79 T110 R367 T390 A394 K404V77-P79 WeakPolarHBondContact O-CD 3.33Å; V77-T110 CarbonylContact C-O 3.51Å; V77-T110 WeakPolarHBondContact CA-O 3.39Å; V77-T110 HydrophobicContact CG1-CG2 4.31Å; V77-R367 PolarHBondContact O-NH1 2.91Å; V77-T390 PolarHBondContact N-O 2.91Å; V77-T390 VanDerWaalsContact O-O 3.08Å; V77-A394 HydrophobicContact CB-CB 4.18Å; V77-A394 HydrophobicContact CG1-CB 3.97Å; V77-K404 HydrophobicContact CG2-CB 4.23Å
78D98.8Very high94.3Very high0 Ų025.5 Ų25.50%016%0.161CC..EExtended strand (participates in β ladder)trans-100.2104.4177.8-164.9-20.1000110.4H80 T81 T108 T110 I111 I112 S337 R367D78-H80 PolarHBondContact O-N 3.07Å; D78-H80 PolarHBondContact OD1-N 3.28Å; D78-T81 HydrophobicContact CB-CG2 4.34Å; D78-T108 HydrophobicContact CB-CG2 3.78Å; D78-T110 PolarHBondContact N-O 3.22Å; D78-I111 HydrophobicContact CB-CG2 4.31Å; D78-I111 CarbonylContact O-C 2.89Å; D78-I111 WeakPolarHBondContact O-CA 3.48Å; D78-I112 PolarHBondContact O-N 3.47Å; D78-S337 VanDerWaalsContact CG-OG 3.31Å; D78-S337 PolarHBondContact OD1-N 2.82Å; D78-S337 VanDerWaalsContact OD1-N 3.09Å; D78-S337 PolarHBondContact OD1-OG 3.48Å; D78-S337 WeakPolarHBondContact OD2-CB 3.27Å; D78-S337 PolarHBondContact OD2-N 2.76Å; D78-S337 PolarHBondContact OD2-OG 2.97Å; D78-R367 IonicContact OD2-NE 2.92Å
79P98.6Very high93.6Very high0 Ų025.2 Ų25.20%017%0.17CC..EExtended strand (participates in β ladder)trans-80.85.2-175.635.1-37.5000113.6V77 I112 H144 A336 A394 F398V77-P79 WeakPolarHBondContact O-CD 3.33Å; P79-I112 HydrophobicContact CB-CD1 4.25Å; P79-H144 PolarHBondContact O-CD2 2.87Å; P79-H144 PolarHBondContact O-NE2 2.67Å; P79-A336 HydrophobicContact CG-CB 3.91Å; P79-A394 HydrophobicContact CB-CB 4.33Å; P79-A394 HydrophobicContact CG-CB 4.19Å; P79-F398 HydrophobicContact CB-CD2 4.06Å; P79-F398 HydrophobicContact CB-CE2 3.44Å; P79-F398 VanDerWaalsContact CB-CE2 3.44Å; P79-F398 HydrophobicContact CB-CZ 4.24Å; P79-F398 HydrophobicContact CG-CE2 4.42Å
80H98.3Very high93.4Very high14 Ų1423.1 Ų23.17%0.06514%0.138CC..EExtended strand (participates in β ladder)trans-143.480-172.6-161.4161.1000112.4D78 R171 Q260 E283 A336 S337 G338 H339D78-H80 PolarHBondContact O-N 3.07Å; D78-H80 PolarHBondContact OD1-N 3.28Å; H80-R171 PolarHBondContact CD2-NH1 3.15Å; H80-R171 VanDerWaalsContact CD2-NH1 3.28Å; H80-R171 PolarHBondContact CE1-NH1 2.73Å; H80-R171 PolarHBondContact NE2-NH1 3.39Å; H80-Q260 PolarHBondContact CE1-OE1 2.83Å; H80-E283 IonicContact CE1-OE1 3.68Å; H80-E283 IonicContact CG-OE1 3.14Å; H80-E283 IonicContact ND1-OE1 3.82Å; H80-E283 PolarHBondContact ND1-OE1 2.53Å; H80-A336 HydrophobicContact CB-CB 3.5Å; H80-S337 PolarHBondContact O-OG 3Å; H80-G338 CarbonylContact O-C 3.57Å; H80-G338 VanDerWaalsContact O-CA 3.24Å; H80-G338 WeakPolarHBondContact O-CA 3.11Å; H80-G338 PolarHBondContact O-N 2.96Å; H80-H339 PolarHBondContact O-N 2.54Å
81T98.2Very high93.2Very high0 Ų023.8 Ų23.80%015%0.148CC..EExtended strand (participates in β ladder)trans-121157.1170.5690000112D78 F83 I111 I112 N113 C114 V364D78-T81 HydrophobicContact CB-CG2 4.34Å; T81-F83 HydrophobicContact CG2-CE2 4.02Å; T81-F83 HydrophobicContact CG2-CZ 3.8Å; T81-I111 HydrophobicContact CG2-CB 4.06Å; T81-I111 HydrophobicContact CG2-CG2 4.11Å; T81-I112 PolarHBondContact N-O 2.82Å; T81-N113 PolarHBondContact O-OD1 2.89Å; T81-N113 WeakPolarHBondContact OG1-CA 3.4Å; T81-N113 PolarHBondContact OG1-OD1 2.84Å; T81-C114 PolarHBondContact O-N 3.06Å; T81-V364 HydrophobicContact CG2-CG2 4.27Å
82C96.3Very high93Very high15 Ų1523.2 Ų23.210%0.10115%0.145CC..  trans-137.589.2174.2-170.50000109.2S85 H339 C340C82-S85 WeakPolarHBondContact SG-CB 3.32Å; C82-H339 PolarHBondContact N-O 3.45Å; C82-C340 HydrophobicContact CB-CB 3.99Å
83F96.2Very high92.9Very high0 Ų023.8 Ų23.80%015%0.149CC..  trans-103.7154.4177.4-55.2-43.1000111.8T81 S85 D94 F96 T100 I111 N113 H339 V364T81-F83 HydrophobicContact CG2-CE2 4.02Å; T81-F83 HydrophobicContact CG2-CZ 3.8Å; F83-S85 PolarHBondContact O-N 3.39Å; F83-S85 PolarHBondContact O-OG 3Å; F83-D94 HydrophobicContact CD1-CB 4.07Å; F83-D94 HydrophobicContact CE1-CB 4.34Å; F83-F96 HydrophobicContact CB-CD1 4.28Å; F83-F96 HydrophobicContact CB-CE1 4.41Å; F83-F96 HydrophobicContact CB-CG 4.34Å; F83-F96 HydrophobicContact CD2-CD1 4.11Å; F83-F96 HydrophobicContact CD2-CE1 4.38Å; F83-T100 HydrophobicContact CE2-CG2 4.46Å; F83-I111 HydrophobicContact CD2-CD1 4.16Å; F83-I111 HydrophobicContact CE2-CD1 3.95Å; F83-I111 HydrophobicContact CE2-CG1 4.14Å; F83-I111 HydrophobicContact CE2-CG2 4.5Å; F83-N113 WeakPolarHBondContact CD2-OD1 3.32Å; F83-N113 PolarHBondContact N-OD1 2.62Å; F83-H339 AromaticContact CE1-CD2 3.47Å; F83-H339 VanDerWaalsContact CE1-CD2 3.47Å; F83-H339 WeakPolarHBondContact CE1-CD2 3.3Å; F83-H339 AromaticContact CE1-NE2 3.99Å; F83-V364 HydrophobicContact CZ-CG2 4.29Å
84D91.8Very high92.8Very high69 Ų6923.7 Ų23.737%0.36915%0.149SC..SBendtrans46.340.2174.1-146-6.8000112.9T92 D94 D95 F96 K136D84-T92 PolarHBondContact N-OG1 3.37Å; D84-T92 VanDerWaalsContact N-OG1 3.15Å; D84-D94 PolarHBondContact N-O 2.86Å; D84-D94 VanDerWaalsContact N-O 3.15Å; D84-D95 HydrophobicContact CB-CB 4.17Å; D84-F96 HydrophobicContact CB-CD2 3.79Å; D84-F96 HydrophobicContact CB-CE2 3.95Å; D84-K136 IonicContact OD2-NZ 3.47Å; D84-K136 PolarHBondContact OD2-NZ 2.67Å
85S88.8Confident92.7Very high11 Ų1125.7 Ų25.78%0.07716%0.16CC..  trans-118.4142.5-169.7-71.10000111.3C82 F83 N91 T92C82-S85 WeakPolarHBondContact SG-CB 3.32Å; F83-S85 PolarHBondContact O-N 3.39Å; F83-S85 PolarHBondContact O-OG 3Å; S85-N91 CarbonylContact O-C 3.57Å; S85-N91 WeakPolarHBondContact O-CA 3.47Å; S85-T92 PolarHBondContact N-OG1 2.95Å; S85-T92 PolarHBondContact O-N 3.14Å
86S86.7Confident92.7Very high70 Ų7025.8 Ų25.849%0.4916%0.16SC..EExtended strand (participates in β ladder)trans-90.9104.7173.3-164.40000109.8L90S86-L90 CarbonylContact C-O 3.59Å; S86-L90 WeakPolarHBondContact CA-O 3.38Å
87C77.7Confident92.6Very high7 Ų729.6 Ų29.65%0.04717%0.174CC..EExtended strand (participates in β ladder)trans-117.8134.1180-64.50000109G89 L90 F342C87-G89 PolarHBondContact O-N 3.16Å; C87-G89 VanDerWaalsContact O-N 3.11Å; C87-L90 CarbonylContact C-O 3.52Å; C87-L90 PolarHBondContact N-O 3.28Å; C87-L90 CarbonylContact O-C 3.54Å; C87-L90 WeakPolarHBondContact O-CA 3.45Å; C87-L90 PolarHBondContact O-N 2.75Å; C87-F342 HydrophobicContact CB-CE1 4.33Å; C87-F342 HydrophobicContact CB-CZ 3.79Å
88F71.1Confident92.6Very high71 Ų7130.2 Ų30.231%0.31118%0.179SC..THydrogen-bonded Turntrans56.726.8-179.9-48.2-86.4000113.8L90 T177 N178 F342 P358F88-L90 PolarHBondContact O-N 2.79Å; F88-T177 HydrophobicContact CE1-CG2 4.09Å; F88-T177 HydrophobicContact CZ-CG2 3.72Å; F88-N178 VanDerWaalsContact CA-OD1 3.29Å; F88-N178 WeakPolarHBondContact CA-OD1 3.47Å; F88-N178 WeakPolarHBondContact CD1-OD1 3.29Å; F88-N178 VanDerWaalsContact CE1-OD1 3.27Å; F88-N178 WeakPolarHBondContact CE1-OD1 3.37Å; F88-N178 VanDerWaalsContact CG-OD1 3.26Å; F88-N178 WeakPolarHBondContact CG-OD1 3.34Å; F88-N178 PolarHBondContact N-ND2 3.46Å; F88-N178 PolarHBondContact N-OD1 3.24Å; F88-F342 HydrophobicContact CD2-CZ 4.1Å; F88-F342 HydrophobicContact CE2-CZ 4.48Å; F88-P358 HydrophobicContact CB-CB 4.29Å; F88-P358 HydrophobicContact CD2-CB 3.79Å; F88-P358 HydrophobicContact CE2-CB 4.46Å; F88-P358 HydrophobicContact CG-CB 4.16Å
89G81.3Confident92.6Very high70 Ų7030.2 Ų30.272%0.72218%0.179SC*.THydrogen-bonded Turntrans72.98.1-17400000114.8C87C87-G89 PolarHBondContact O-N 3.16Å; C87-G89 VanDerWaalsContact O-N 3.11Å
90L87.5Confident92.6Very high44 Ų4430.2 Ų30.223%0.2318%0.179CC..EExtended strand (participates in β ladder)trans-118.9148.3178.4-60.7172.6000109.4S86 C87 F88 F342 Q346 V349 P358S86-L90 CarbonylContact C-O 3.59Å; S86-L90 WeakPolarHBondContact CA-O 3.38Å; C87-L90 CarbonylContact C-O 3.52Å; C87-L90 PolarHBondContact N-O 3.28Å; C87-L90 CarbonylContact O-C 3.54Å; C87-L90 WeakPolarHBondContact O-CA 3.45Å; C87-L90 PolarHBondContact O-N 2.75Å; F88-L90 PolarHBondContact O-N 2.79Å; L90-F342 HydrophobicContact CB-CD1 4.48Å; L90-F342 HydrophobicContact CB-CE1 4.24Å; L90-Q346 HydrophobicContact CD1-CB 4.25Å; L90-V349 HydrophobicContact CD1-CG2 4.19Å; L90-P358 HydrophobicContact CD1-CB 4.33Å; L90-P358 HydrophobicContact CD1-CG 3.99Å
91N93.2Very high92.6Very high100 Ų10033.2 Ų33.254%0.53519%0.19SC..EExtended strand (participates in β ladder)trans-82.7141.3172.8-64.5-18.7000109.8S85 Q346S85-N91 CarbonylContact O-C 3.57Å; S85-N91 WeakPolarHBondContact O-CA 3.47Å; N91-Q346 PolarHBondContact O-NE2 2.92Å
92T95.7Very high92.6Very high11 Ų1133.2 Ų33.27%0.06719%0.19CC..  trans-55.6144.516955.10000109.9D84 S85 D94 T341 F342D84-T92 PolarHBondContact N-OG1 3.37Å; D84-T92 VanDerWaalsContact N-OG1 3.15Å; S85-T92 PolarHBondContact N-OG1 2.95Å; S85-T92 PolarHBondContact O-N 3.14Å; T92-D94 PolarHBondContact OG1-O 3.08Å; T92-D94 VanDerWaalsContact OG1-O 3.08Å; T92-T341 WeakPolarHBondContact CA-O 3.34Å; T92-F342 HydrophobicContact CG2-CZ 4.44Å
93S96.4Very high92.7Very high12 Ų1232.5 Ų32.58%0.08419%0.185CC..SBendtrans-71.4-36.6-178.256.50000112.1T341 N434S93-T341 PolarHBondContact N-O 3.31Å; S93-T341 VanDerWaalsContact OG-C 3.22Å; S93-T341 WeakPolarHBondContact OG-CB 3.23Å; S93-T341 PolarHBondContact OG-O 3.09Å; S93-T341 PolarHBondContact OG-OG1 2.92Å; S93-N434 VanDerWaalsContact CB-O 3.27Å; S93-N434 WeakPolarHBondContact CB-O 3.35Å; S93-N434 PolarHBondContact O-ND2 3.37Å; S93-N434 PolarHBondContact OG-O 3.26Å
94D97.3Very high92.8Very high0 Ų032.5 Ų32.50%019%0.185CC..  trans-83.9131.4171.7-77-67.3000112.3F83 D84 T92 S98 H339 T341 N434F83-D94 HydrophobicContact CD1-CB 4.07Å; F83-D94 HydrophobicContact CE1-CB 4.34Å; D84-D94 PolarHBondContact N-O 2.86Å; D84-D94 VanDerWaalsContact N-O 3.15Å; T92-D94 PolarHBondContact OG1-O 3.08Å; T92-D94 VanDerWaalsContact OG1-O 3.08Å; D94-S98 VanDerWaalsContact CA-OG 3.32Å; D94-S98 WeakPolarHBondContact CA-OG 2.92Å; D94-S98 VanDerWaalsContact OD1-CB 3.24Å; D94-S98 WeakPolarHBondContact OD1-CB 3.49Å; D94-S98 PolarHBondContact OD1-OG 3.4Å; D94-H339 IonicContact OD2-CE1 3.04Å; D94-H339 IonicContact OD2-NE2 2.69Å; D94-H339 PolarHBondContact OD2-NE2 2.84Å; D94-H339 VanDerWaalsContact OD2-NE2 3.14Å; D94-T341 PolarHBondContact N-OG1 3.1Å; D94-T341 PolarHBondContact OD2-OG1 2.86Å; D94-N434 WeakPolarHBondContact OD1-CB 3.36Å; D94-N434 PolarHBondContact OD1-N 3.07Å; D94-N434 PolarHBondContact OD2-N 2.81Å
95D96.7Very high93.1Very high43 Ų4329.8 Ų29.823%0.2317%0.172CC..  trans-100.5-178.6167.881.3-4.7000110.6D84 Y97 S98 G99 K136D84-D95 HydrophobicContact CB-CB 4.17Å; D95-Y97 PolarHBondContact O-N 3.19Å; D95-Y97 WeakPolarHBondContact OD1-CA 3.42Å; D95-Y97 WeakPolarHBondContact OD1-CB 3.48Å; D95-Y97 PolarHBondContact OD1-N 3.38Å; D95-S98 PolarHBondContact N-OG 3.39Å; D95-S98 VanDerWaalsContact N-OG 3.14Å; D95-S98 PolarHBondContact O-N 3.05Å; D95-S98 PolarHBondContact OD1-N 3.44Å; D95-G99 PolarHBondContact O-N 3.25Å; D95-K136 WeakPolarHBondContact OD2-CE 3.4Å; D95-K136 IonicContact OD2-NZ 3.54Å; D95-K136 PolarHBondContact OD2-NZ 3.41Å
96F97.9Very high93.6Very high4 Ų429.3 Ų29.32%0.01817%0.168CC..Hα-helixtrans-59.7-28.1179.5-77.8-77.2000113.4F83 D84 T100 N113 A132 A133 K136F83-F96 HydrophobicContact CB-CD1 4.28Å; F83-F96 HydrophobicContact CB-CE1 4.41Å; F83-F96 HydrophobicContact CB-CG 4.34Å; F83-F96 HydrophobicContact CD2-CD1 4.11Å; F83-F96 HydrophobicContact CD2-CE1 4.38Å; D84-F96 HydrophobicContact CB-CD2 3.79Å; D84-F96 HydrophobicContact CB-CE2 3.95Å; F96-T100 VanDerWaalsContact O-CB 3.31Å; F96-T100 WeakPolarHBondContact O-CB 3.38Å; F96-T100 WeakPolarHBondContact O-CG2 3.41Å; F96-T100 PolarHBondContact O-N 3.03Å; F96-T100 PolarHBondContact O-OG1 3.03Å; F96-N113 HydrophobicContact CE1-CB 3.83Å; F96-N113 HydrophobicContact CZ-CB 4.19Å; F96-N113 WeakPolarHBondContact CZ-ND2 3.43Å; F96-A132 HydrophobicContact CD2-CB 4.31Å; F96-A132 HydrophobicContact CE2-CB 4.34Å; F96-A133 HydrophobicContact CD1-CB 3.69Å; F96-A133 HydrophobicContact CD2-CB 3.97Å; F96-A133 HydrophobicContact CE1-CB 3.62Å; F96-A133 HydrophobicContact CE2-CB 3.91Å; F96-A133 HydrophobicContact CG-CB 3.87Å; F96-A133 HydrophobicContact CZ-CB 3.73Å; F96-K136 HydrophobicContact CB-CB 3.67Å; F96-K136 HydrophobicContact CB-CD 4.31Å
97Y98.1Very high94.1Very high79 Ų7926 Ų2631%0.3115%0.145SC..Hα-helixtrans-77.5-55.5178.6171.8-107.1000110.7D95 G99 T100 R101 C138 V467 Q469D95-Y97 PolarHBondContact O-N 3.19Å; D95-Y97 WeakPolarHBondContact OD1-CA 3.42Å; D95-Y97 WeakPolarHBondContact OD1-CB 3.48Å; D95-Y97 PolarHBondContact OD1-N 3.38Å; Y97-G99 PolarHBondContact O-N 2.95Å; Y97-T100 PolarHBondContact O-OG1 2.84Å; Y97-R101 WeakPolarHBondContact O-CB 3.45Å; Y97-R101 PolarHBondContact O-N 2.98Å; Y97-C138 WeakPolarHBondContact CD2-SG 3.38Å; Y97-V467 HydrophobicContact CE2-CG2 4.22Å; Y97-Q469 HydrophobicContact CD2-CB 3.92Å; Y97-Q469 HydrophobicContact CD2-CG 3.83Å; Y97-Q469 HydrophobicContact CE2-CB 4.09Å; Y97-Q469 HydrophobicContact CE2-CG 4.47Å; Y97-Q469 HydrophobicContact CG-CG 4.43Å
98S97.8Very high95.1Very high14 Ų1425.6 Ų25.610%0.09814%0.143CC..Hα-helixtrans-65.4-41.6-17865.70000111.9D94 D95 R101 A102D94-S98 VanDerWaalsContact CA-OG 3.32Å; D94-S98 WeakPolarHBondContact CA-OG 2.92Å; D94-S98 VanDerWaalsContact OD1-CB 3.24Å; D94-S98 WeakPolarHBondContact OD1-CB 3.49Å; D94-S98 PolarHBondContact OD1-OG 3.4Å; D95-S98 PolarHBondContact N-OG 3.39Å; D95-S98 VanDerWaalsContact N-OG 3.14Å; D95-S98 PolarHBondContact O-N 3.05Å; D95-S98 PolarHBondContact OD1-N 3.44Å; S98-R101 PolarHBondContact O-N 3.36Å; S98-A102 WeakPolarHBondContact O-CB 3.29Å; S98-A102 PolarHBondContact O-N 3.12Å
99G98.2Very high96.4Very high0 Ų022.3 Ų22.30%013%0.128CC..Hα-helixtrans-64.7-45.3179.200000113.6D95 Y97 A102 A103D95-G99 PolarHBondContact O-N 3.25Å; Y97-G99 PolarHBondContact O-N 2.95Å; G99-A102 PolarHBondContact O-N 3.23Å; G99-A103 PolarHBondContact O-N 2.81Å
100T98.6Very high97.3Very high0 Ų019 Ų190%09%0.094CC..Hα-helixtrans-74-30.7177.658.50000112.8F83 F96 Y97 A103 L104 I111 A137 C138F83-T100 HydrophobicContact CE2-CG2 4.46Å; F96-T100 VanDerWaalsContact O-CB 3.31Å; F96-T100 WeakPolarHBondContact O-CB 3.38Å; F96-T100 WeakPolarHBondContact O-CG2 3.41Å; F96-T100 PolarHBondContact O-N 3.03Å; F96-T100 PolarHBondContact O-OG1 3.03Å; Y97-T100 PolarHBondContact O-OG1 2.84Å; T100-A103 WeakPolarHBondContact O-CB 3.37Å; T100-A103 PolarHBondContact O-N 3.49Å; T100-L104 WeakPolarHBondContact O-CG 3.15Å; T100-L104 PolarHBondContact O-N 2.93Å; T100-I111 HydrophobicContact CG2-CG1 4.14Å; T100-A137 HydrophobicContact CG2-CB 4.16Å; T100-C138 WeakPolarHBondContact OG1-CB 3.39Å; T100-C138 PolarHBondContact OG1-N 3.08Å
101R98.2Very high97.8Very high78 Ų7816.9 Ų16.929%0.2948%0.083SC..Hα-helixtrans-61-46.4170.2179.7176172.3-110.9-0.8110.5Y97 S98 L104 A105 L465 V467Y97-R101 WeakPolarHBondContact O-CB 3.45Å; Y97-R101 PolarHBondContact O-N 2.98Å; S98-R101 PolarHBondContact O-N 3.36Å; R101-L104 PolarHBondContact O-N 2.85Å; R101-A105 PolarHBondContact O-N 3.1Å; R101-L465 HydrophobicContact CG-CD2 3.34Å; R101-L465 HydrophobicContact CG-CG 4.4Å; R101-L465 WeakPolarHBondContact O-CD2 3.46Å; R101-V467 HydrophobicContact CB-CG2 4.29Å; R101-V467 HydrophobicContact CG-CG2 3.88Å
102A98.4Very high98.1Very high0 Ų012.2 Ų12.20%06%0.058CC..Hα-helixtrans-63.5-41.8174.900000112.6S98 G99 L104 A105 G106 V364 E365 H432 E433S98-A102 WeakPolarHBondContact O-CB 3.29Å; S98-A102 PolarHBondContact O-N 3.12Å; G99-A102 PolarHBondContact O-N 3.23Å; A102-L104 VanDerWaalsContact C-N 3.34Å; A102-L104 PolarHBondContact O-N 3.31Å; A102-A105 WeakPolarHBondContact O-CB 3.36Å; A102-A105 PolarHBondContact O-N 2.7Å; A102-G106 PolarHBondContact O-N 2.91Å; A102-G106 VanDerWaalsContact O-N 3.1Å; A102-V364 HydrophobicContact CB-CG1 3.78Å; A102-E365 HydrophobicContact CB-CB 4.19Å; A102-E365 WeakPolarHBondContact O-CA 3.37Å; A102-E365 WeakPolarHBondContact O-CB 3.5Å; A102-H432 HydrophobicContact CB-CB 4.18Å; A102-E433 HydrophobicContact CB-CB 4.37Å; A102-E433 HydrophobicContact CB-CG 3.55Å
103A98.8Very high98.2Very high0 Ų011.7 Ų11.70%06%0.055CC..Hα-helixtrans-55.1-48.917400000111.8G99 T100 A105 G106 G107 T108 I111 V364G99-A103 PolarHBondContact O-N 2.81Å; T100-A103 WeakPolarHBondContact O-CB 3.37Å; T100-A103 PolarHBondContact O-N 3.49Å; A103-A105 PolarHBondContact O-N 3.4Å; A103-G106 CarbonylContact O-C 3.52Å; A103-G106 WeakPolarHBondContact O-CA 3.46Å; A103-G106 PolarHBondContact O-N 2.94Å; A103-G106 VanDerWaalsContact O-N 3.1Å; A103-G107 PolarHBondContact O-N 3.09Å; A103-T108 CarbonylContact C-O 3.52Å; A103-T108 HydrophobicContact CB-CG2 4.05Å; A103-T108 WeakPolarHBondContact O-CA 3.32Å; A103-T108 WeakPolarHBondContact O-CB 3.4Å; A103-T108 PolarHBondContact O-N 3.29Å; A103-T108 VanDerWaalsContact O-O 3.1Å; A103-I111 HydrophobicContact CB-CG2 4.12Å; A103-V364 HydrophobicContact CB-CG2 3.63Å
104L98.7Very high98.2Very high0 Ų011.2 Ų11.20%05%0.051CC..Hα-helixtrans-66-37.4179.5-70.7170000112.4T100 R101 A102 G106 G107 T108 T109 C138 C139 V452 V459 L465 V467T100-L104 WeakPolarHBondContact O-CG 3.15Å; T100-L104 PolarHBondContact O-N 2.93Å; R101-L104 PolarHBondContact O-N 2.85Å; A102-L104 VanDerWaalsContact C-N 3.34Å; A102-L104 PolarHBondContact O-N 3.31Å; L104-G106 PolarHBondContact O-N 3.39Å; L104-G107 PolarHBondContact O-N 3.06Å; L104-G107 VanDerWaalsContact O-N 3.13Å; L104-T108 WeakPolarHBondContact CA-O 3.44Å; L104-T108 PolarHBondContact N-O 3.13Å; L104-T109 HydrophobicContact CD2-CG2 4.1Å; L104-C138 HydrophobicContact CD1-CB 3.75Å; L104-C139 HydrophobicContact CD1-CB 3.93Å; L104-C139 HydrophobicContact CD2-CB 3.69Å; L104-C139 HydrophobicContact CG-CB 3.81Å; L104-V452 HydrophobicContact CD2-CG1 4.07Å; L104-V452 WeakPolarHBondContact O-CG2 3.32Å; L104-V459 HydrophobicContact CB-CG2 4.33Å; L104-V459 HydrophobicContact CD1-CG2 4.17Å; L104-V459 HydrophobicContact CD2-CG2 4.03Å; L104-V459 HydrophobicContact CG-CG2 4.41Å; L104-L465 HydrophobicContact CB-CD1 4.24Å; L104-V467 HydrophobicContact CD1-CG1 3.65Å
105A98.3Very high98.1Very high11 Ų1111.5 Ų11.59%0.0915%0.053CC..Hα-helixtrans-58.9-33.517300000112.1R101 A102 A103 E365 H432 P449 L465R101-A105 PolarHBondContact O-N 3.1Å; A102-A105 WeakPolarHBondContact O-CB 3.36Å; A102-A105 PolarHBondContact O-N 2.7Å; A103-A105 PolarHBondContact O-N 3.4Å; A105-E365 HydrophobicContact CB-CG 4.19Å; A105-H432 HydrophobicContact CB-CB 4.24Å; A105-P449 WeakPolarHBondContact O-CG 3.37Å; A105-L465 HydrophobicContact CB-CD1 4.47Å; A105-L465 HydrophobicContact CB-CD2 4Å
106G98.2Very high97.9Very high1 Ų110.3 Ų10.31%0.015%0.047CC..THydrogen-bonded Turntrans-85-2.217700000116.3A102 A103 L104 E365A102-G106 PolarHBondContact O-N 2.91Å; A102-G106 VanDerWaalsContact O-N 3.1Å; A103-G106 CarbonylContact O-C 3.52Å; A103-G106 WeakPolarHBondContact O-CA 3.46Å; A103-G106 PolarHBondContact O-N 2.94Å; A103-G106 VanDerWaalsContact O-N 3.1Å; L104-G106 PolarHBondContact O-N 3.39Å; G106-E365 WeakPolarHBondContact CA-O 3.31Å
107G98.5Very high97.4Very high0 Ų011.5 Ų11.50%06%0.055CC..THydrogen-bonded Turntrans83.97.2-174.300000115.3G76 A103 L104 V416G76-G107 PolarHBondContact N-O 3.21Å; A103-G107 PolarHBondContact O-N 3.09Å; L104-G107 PolarHBondContact O-N 3.06Å; L104-G107 VanDerWaalsContact O-N 3.13Å; G107-V416 VanDerWaalsContact O-CG2 3.24Å; G107-V416 WeakPolarHBondContact O-CG2 3.29Å
108T98.9Very high96.8Very high0 Ų011.2 Ų11.20%06%0.062CC..EExtended strand (participates in β ladder)trans-87.8120171.7-66.30000109.9G76 D78 A103 L104 T110 I111 R367G76-T108 CarbonylContact O-C 3.57Å; G76-T108 WeakPolarHBondContact O-CA 3.39Å; G76-T108 WeakPolarHBondContact O-CG2 3.4Å; D78-T108 HydrophobicContact CB-CG2 3.78Å; A103-T108 CarbonylContact C-O 3.52Å; A103-T108 HydrophobicContact CB-CG2 4.05Å; A103-T108 WeakPolarHBondContact O-CA 3.32Å; A103-T108 WeakPolarHBondContact O-CB 3.4Å; A103-T108 PolarHBondContact O-N 3.29Å; A103-T108 VanDerWaalsContact O-O 3.1Å; L104-T108 WeakPolarHBondContact CA-O 3.44Å; L104-T108 PolarHBondContact N-O 3.13Å; T108-T110 WeakPolarHBondContact CG2-O 3.45Å; T108-I111 HydrophobicContact CG2-CG2 4.15Å; T108-R367 PolarHBondContact OG1-NH2 3.34Å
109T98.9Very high96.2Very high1 Ų121.2 Ų21.21%0.00610%0.104CC..EExtended strand (participates in β ladder)trans-109.9-5.6-174.661.40000113.4G75 G76 L104 C139 D140 D414 V452G75-T109 WeakPolarHBondContact CA-OG1 3.37Å; G76-T109 PolarHBondContact O-N 2.86Å; L104-T109 HydrophobicContact CD2-CG2 4.1Å; T109-C139 WeakPolarHBondContact O-CB 3.48Å; T109-D140 PolarHBondContact O-N 3.47Å; T109-D414 HydrophobicContact CG2-CB 4.38Å; T109-D414 WeakPolarHBondContact OG1-CB 3.27Å; T109-V452 HydrophobicContact CG2-CG1 3.84Å
110T98.9Very high95.9Very high0 Ų023.3 Ų23.30%012%0.118CC..EExtended strand (participates in β ladder)trans-140.9135.8173.7-58.20000110.4G76 V77 D78 T108 D140 L400 K404G76-T110 PolarHBondContact O-N 2.86Å; G76-T110 VanDerWaalsContact O-N 3.16Å; V77-T110 CarbonylContact C-O 3.51Å; V77-T110 WeakPolarHBondContact CA-O 3.39Å; V77-T110 HydrophobicContact CG1-CG2 4.31Å; D78-T110 PolarHBondContact N-O 3.22Å; T108-T110 WeakPolarHBondContact CG2-O 3.45Å; T110-D140 VanDerWaalsContact CA-O 3.25Å; T110-D140 WeakPolarHBondContact CA-O 3.37Å; T110-L400 HydrophobicContact CG2-CD1 4.44Å; T110-K404 WeakPolarHBondContact OG1-CE 3.25Å
111I98.8Very high95.7Very high0 Ų024.1 Ų24.10%012%0.124CC..EExtended strand (participates in β ladder)trans-121.2150.9174.662.794.6000110.8D78 T81 F83 T100 A103 T108 N113 D140 Y141 S142D78-I111 HydrophobicContact CB-CG2 4.31Å; D78-I111 CarbonylContact O-C 2.89Å; D78-I111 WeakPolarHBondContact O-CA 3.48Å; T81-I111 HydrophobicContact CG2-CB 4.06Å; T81-I111 HydrophobicContact CG2-CG2 4.11Å; F83-I111 HydrophobicContact CD2-CD1 4.16Å; F83-I111 HydrophobicContact CE2-CD1 3.95Å; F83-I111 HydrophobicContact CE2-CG1 4.14Å; F83-I111 HydrophobicContact CE2-CG2 4.5Å; T100-I111 HydrophobicContact CG2-CG1 4.14Å; A103-I111 HydrophobicContact CB-CG2 4.12Å; T108-I111 HydrophobicContact CG2-CG2 4.15Å; I111-N113 HydrophobicContact CD1-CB 3.79Å; I111-D140 PolarHBondContact N-O 3.44Å; I111-Y141 CarbonylContact O-C 3.5Å; I111-Y141 WeakPolarHBondContact O-CA 3.41Å; I111-S142 PolarHBondContact O-N 2.86Å
112I98.6Very high95.6Very high2 Ų221 Ų211%0.0111%0.113CC..EExtended strand (participates in β ladder)trans-117.2106.5167.8-45.1-179.9000108.1D78 P79 T81 H144 F398 L400D78-I112 PolarHBondContact O-N 3.47Å; P79-I112 HydrophobicContact CB-CD1 4.25Å; T81-I112 PolarHBondContact N-O 2.82Å; I112-H144 WeakPolarHBondContact CG2-CE1 3.43Å; I112-H144 VanDerWaalsContact CG2-NE2 3.26Å; I112-H144 WeakPolarHBondContact CG2-NE2 3.37Å; I112-F398 HydrophobicContact CD1-CB 3.79Å; I112-F398 HydrophobicContact CD1-CD1 4.45Å; I112-F398 HydrophobicContact CD1-CD2 3.47Å; I112-F398 VanDerWaalsContact CD1-CD2 3.47Å; I112-F398 HydrophobicContact CD1-CE2 4.21Å; I112-F398 HydrophobicContact CD1-CG 3.63Å; I112-L400 HydrophobicContact CD1-CD1 4.29Å
113N98.3Very high95.5Very high0 Ų023.2 Ų23.20%013%0.125CC..EExtended strand (participates in β ladder)trans-87.7132-172.4-162.571.4000111.3T81 F83 F96 I111 S142 M143 H144T81-N113 PolarHBondContact O-OD1 2.89Å; T81-N113 WeakPolarHBondContact OG1-CA 3.4Å; T81-N113 PolarHBondContact OG1-OD1 2.84Å; F83-N113 WeakPolarHBondContact CD2-OD1 3.32Å; F83-N113 PolarHBondContact N-OD1 2.62Å; F96-N113 HydrophobicContact CE1-CB 3.83Å; F96-N113 HydrophobicContact CZ-CB 4.19Å; F96-N113 WeakPolarHBondContact CZ-ND2 3.43Å; I111-N113 HydrophobicContact CD1-CB 3.79Å; N113-S142 PolarHBondContact N-O 3.36Å; N113-M143 VanDerWaalsContact O-CA 3.28Å; N113-M143 WeakPolarHBondContact O-CA 3.44Å; N113-H144 PolarHBondContact O-N 3.32Å
114C97Very high95.5Very high2 Ų227.1 Ų27.11%0.01415%0.146CC..EExtended strand (participates in β ladder)trans-84.1122.2177.6-166.10000110.8T81 I146T81-C114 PolarHBondContact O-N 3.06Å; C114-I146 VanDerWaalsContact SG-CD1 3.53Å; C114-I146 WeakPolarHBondContact SG-CG1 3.43Å
115I95.6Very high95.3Very high6 Ų627.4 Ų27.43%0.03115%0.147CC..EExtended strand (participates in β ladder)trans-89.2116.1179.1-51.7-46.9000109.6M125 S129 M143 H144 F145 I146I115-M125 HydrophobicContact CG2-CB 4.25Å; I115-M125 HydrophobicContact CG2-CE 3.61Å; I115-S129 WeakPolarHBondContact CD1-OG 3.25Å; I115-S129 WeakPolarHBondContact CG2-OG 3.43Å; I115-M143 HydrophobicContact CD1-CE 4.49Å; I115-M143 HydrophobicContact CD1-CG 4.16Å; I115-M143 HydrophobicContact CD1-SD 3.79Å; I115-M143 HydrophobicContact CG1-CB 4.2Å; I115-M143 HydrophobicContact CG1-CG 4.22Å; I115-M143 HydrophobicContact CG1-SD 3.76Å; I115-H144 WeakPolarHBondContact CB-O 3.47Å; I115-H144 WeakPolarHBondContact CG1-O 3.45Å; I115-H144 PolarHBondContact N-O 2.96Å; I115-F145 HydrophobicContact CB-CD1 4.16Å; I115-F145 HydrophobicContact CB-CE1 4.08Å; I115-F145 HydrophobicContact CB-CG 4.45Å; I115-F145 HydrophobicContact CB-CZ 4.26Å; I115-F145 HydrophobicContact CG1-CE1 4.29Å; I115-F145 HydrophobicContact CG1-CE2 4.11Å; I115-F145 HydrophobicContact CG1-CZ 3.96Å; I115-F145 HydrophobicContact CG2-CD1 4.35Å; I115-F145 HydrophobicContact CG2-CE1 4Å; I115-F145 HydrophobicContact CG2-CZ 4.44Å; I115-I146 PolarHBondContact O-N 2.79Å
116V91.2Very high95.3Very high19 Ų1927.4 Ų27.412%0.11515%0.145CC..PPolyproline II helixtrans-78.4136.9-178.4-177.20000110.9M125 I146V116-M125 VanDerWaalsContact O-CE 3.27Å; V116-M125 WeakPolarHBondContact O-CE 3.48Å; V116-I146 HydrophobicContact CG2-CD1 4.18Å
117P87.2Confident95.2Very high28 Ų2831.8 Ų31.818%0.18217%0.165CC..PPolyproline II helixtrans-63.8142.4-175.4-17.934.3000112I146 F148 M180P117-I146 HydrophobicContact CG-CB 3.64Å; P117-I146 HydrophobicContact CG-CG2 3.56Å; P117-F148 HydrophobicContact CB-CD1 3.61Å; P117-F148 HydrophobicContact CB-CE1 3.63Å; P117-F148 HydrophobicContact CG-CD1 3.79Å; P117-F148 HydrophobicContact CG-CE1 4.33Å; P117-M180 HydrophobicContact CG-SD 4.29Å
118T86Confident95.1Very high74 Ų7437.3 Ų37.345%0.45419%0.189SC..  trans-122.7-179.1170.769.50000109.2S120 M125T118-S120 PolarHBondContact O-N 3.49Å; T118-S120 WeakPolarHBondContact OG1-CB 3.46Å; T118-S120 PolarHBondContact OG1-N 3.44Å; T118-M125 PolarHBondContact N-SD 3.19Å; T118-M125 WeakPolarHBondContact OG1-CG 3.33Å
119K85.8Confident95Very high224 Ų22438.3 Ų38.397%0.97420%0.196SC*.SBendtrans-69.8-4.9172.4-62.5-176.8179.7179.60113.6
120S90.5Very high94.9Very high43 Ų4340.7 Ų40.730%0.30121%0.205SC..SBendtrans-84168.6177.8-56.30000112T118 K128T118-S120 PolarHBondContact O-N 3.49Å; T118-S120 WeakPolarHBondContact OG1-CB 3.46Å; T118-S120 PolarHBondContact OG1-N 3.44Å; S120-K128 PolarHBondContact OG-NZ 2.96Å
121S95.1Very high94.8Very high17 Ų1747.8 Ų47.812%0.11924%0.238CC..  trans-65.9161.7172.366.60000112L123 D124 M125 E157S121-L123 PolarHBondContact O-N 2.92Å; S121-D124 PolarHBondContact N-OD2 3.48Å; S121-D124 PolarHBondContact O-N 3.42Å; S121-D124 WeakPolarHBondContact OG-CB 3.24Å; S121-D124 PolarHBondContact OG-N 3.12Å; S121-D124 PolarHBondContact OG-OD2 3.05Å; S121-M125 VanDerWaalsContact O-CG 3.3Å; S121-M125 WeakPolarHBondContact O-CG 3.34Å; S121-M125 PolarHBondContact O-N 2.91Å; S121-E157 VanDerWaalsContact CB-OE1 3.26Å; S121-E157 WeakPolarHBondContact CB-OE1 3.28Å
122L96.5Very high94.7Very high14 Ų1449 Ų497%0.07325%0.248CC..Hα-helixtrans-61.9-33.4174.9-62.1177.1000111.6M125 Y126 F145 L147 I154 E157 M158 L161L122-M125 HydrophobicContact CD2-SD 4.41Å; L122-M125 PolarHBondContact O-N 3.24Å; L122-Y126 WeakPolarHBondContact O-CB 3.45Å; L122-Y126 PolarHBondContact O-N 2.99Å; L122-F145 HydrophobicContact CD2-CD1 4.21Å; L122-F145 WeakPolarHBondContact O-CE1 3.28Å; L122-L147 HydrophobicContact CD1-CD2 3.68Å; L122-L147 HydrophobicContact CD2-CD2 3.95Å; L122-L147 HydrophobicContact CG-CD2 4.48Å; L122-I154 HydrophobicContact CD1-CG2 4.23Å; L122-E157 HydrophobicContact CB-CB 4.09Å; L122-E157 WeakPolarHBondContact CB-OE2 3.4Å; L122-E157 HydrophobicContact CD1-CB 3.98Å; L122-E157 HydrophobicContact CG-CB 4.4Å; L122-E157 WeakPolarHBondContact CG-OE2 3.46Å; L122-E157 PolarHBondContact N-OE2 3.16Å; L122-M158 HydrophobicContact CD1-CG 4.42Å; L122-L161 HydrophobicContact CB-CD1 3.93Å; L122-L161 HydrophobicContact CD1-CD1 4.34Å
123L96.9Very high94.6Very high46 Ų4648.9 Ų48.924%0.24125%0.247CC..Hα-helixtrans-69.9-42.7177.4-62.3176.3000112S121 M125 Y126 E127 E157 L160 L161S121-L123 PolarHBondContact O-N 2.92Å; L123-M125 VanDerWaalsContact C-N 3.28Å; L123-M125 PolarHBondContact O-N 2.72Å; L123-Y126 WeakPolarHBondContact O-CB 3.37Å; L123-Y126 PolarHBondContact O-N 3.29Å; L123-E127 WeakPolarHBondContact O-CG 3.27Å; L123-E127 PolarHBondContact O-N 3.15Å; L123-E157 HydrophobicContact CD1-CG 4.27Å; L123-E157 HydrophobicContact CG-CB 4.46Å; L123-E157 HydrophobicContact CG-CG 4.19Å; L123-L160 HydrophobicContact CD1-CD1 3.77Å; L123-L160 HydrophobicContact CD2-CB 4Å; L123-L161 HydrophobicContact CD2-CD2 4.06Å; L123-L161 HydrophobicContact CD2-CG 4.14Å
124D96.9Very high94.6Very high82 Ų8251.7 Ų51.744%0.43926%0.263SS..Hα-helixtrans-63.6-38.9174.7-64.8-39.4000111.2S121 Y126 E127 K128S121-D124 PolarHBondContact N-OD2 3.48Å; S121-D124 PolarHBondContact O-N 3.42Å; S121-D124 WeakPolarHBondContact OG-CB 3.24Å; S121-D124 PolarHBondContact OG-N 3.12Å; S121-D124 PolarHBondContact OG-OD2 3.05Å; D124-Y126 VanDerWaalsContact C-N 3.35Å; D124-E127 PolarHBondContact O-N 3.28Å; D124-K128 WeakPolarHBondContact O-CB 3.36Å; D124-K128 VanDerWaalsContact O-CG 3.29Å; D124-K128 WeakPolarHBondContact O-CG 3.26Å; D124-K128 PolarHBondContact O-N 2.65Å
125M95.9Very high94.6Very high6 Ų654.7 Ų54.73%0.0328%0.283CS..Hα-helixtrans-61.6-45.1174.4-72.8169.447.800110.8I115 V116 T118 S121 L122 L123 E127 K128 S129 F145I115-M125 HydrophobicContact CG2-CB 4.25Å; I115-M125 HydrophobicContact CG2-CE 3.61Å; V116-M125 VanDerWaalsContact O-CE 3.27Å; V116-M125 WeakPolarHBondContact O-CE 3.48Å; T118-M125 PolarHBondContact N-SD 3.19Å; T118-M125 WeakPolarHBondContact OG1-CG 3.33Å; S121-M125 VanDerWaalsContact O-CG 3.3Å; S121-M125 WeakPolarHBondContact O-CG 3.34Å; S121-M125 PolarHBondContact O-N 2.91Å; L122-M125 HydrophobicContact CD2-SD 4.41Å; L122-M125 PolarHBondContact O-N 3.24Å; L123-M125 VanDerWaalsContact C-N 3.28Å; L123-M125 PolarHBondContact O-N 2.72Å; M125-E127 PolarHBondContact O-N 3.41Å; M125-K128 PolarHBondContact O-N 3.16Å; M125-S129 WeakPolarHBondContact O-CB 3.33Å; M125-S129 PolarHBondContact O-N 3.24Å; M125-S129 PolarHBondContact O-OG 3.41Å; M125-S129 VanDerWaalsContact O-OG 3.06Å; M125-F145 HydrophobicContact CB-CE1 4.08Å; M125-F145 HydrophobicContact CE-CD1 4.21Å; M125-F145 HydrophobicContact CE-CE1 4.4Å
126Y97.1Very high94.8Very high11 Ų1156.5 Ų56.54%0.04329%0.291CS..Hα-helixtrans-56.2-51.3175.1171.5-88.7000112.4L122 L123 D124 K128 S129 R130 F145 L161 K165 V167 F474L122-Y126 WeakPolarHBondContact O-CB 3.45Å; L122-Y126 PolarHBondContact O-N 2.99Å; L123-Y126 WeakPolarHBondContact O-CB 3.37Å; L123-Y126 PolarHBondContact O-N 3.29Å; D124-Y126 VanDerWaalsContact C-N 3.35Å; Y126-K128 PolarHBondContact O-N 2.86Å; Y126-S129 PolarHBondContact O-N 3.33Å; Y126-R130 HydrophobicContact CD1-CG 4.19Å; Y126-R130 HydrophobicContact CD2-CG 4.16Å; Y126-R130 HydrophobicContact CE1-CG 3.74Å; Y126-R130 HydrophobicContact CE2-CG 3.72Å; Y126-R130 HydrophobicContact CG-CG 4.38Å; Y126-R130 VanDerWaalsContact CZ-CG 3.5Å; Y126-R130 VanDerWaalsContact O-CB 3.31Å; Y126-R130 WeakPolarHBondContact O-CB 3.35Å; Y126-R130 VanDerWaalsContact O-CG 3.31Å; Y126-R130 WeakPolarHBondContact O-CG 3.47Å; Y126-R130 PolarHBondContact O-N 2.98Å; Y126-R130 PolarHBondContact OH-NH1 3.44Å; Y126-F145 HydrophobicContact CD2-CE2 4.25Å; Y126-F145 HydrophobicContact CD2-CZ 4Å; Y126-F145 HydrophobicContact CG-CZ 4.32Å; Y126-L161 HydrophobicContact CD2-CD2 3.92Å; Y126-L161 HydrophobicContact CG-CD2 3.92Å; Y126-K165 HydrophobicContact CD1-CD 4.13Å; Y126-K165 HydrophobicContact CD1-CG 4.26Å; Y126-K165 HydrophobicContact CD2-CB 4.16Å; Y126-K165 HydrophobicContact CE1-CB 4.08Å; Y126-K165 HydrophobicContact CE1-CD 3.58Å; Y126-K165 HydrophobicContact CE1-CG 4.01Å; Y126-K165 HydrophobicContact CE2-CB 3.66Å; Y126-K165 HydrophobicContact CE2-CG 4.41Å; Y126-K165 PolarHBondContact OH-O 3.38Å; Y126-V167 HydrophobicContact CD2-CG2 4.26Å; Y126-V167 HydrophobicContact CE2-CG2 4.26Å; Y126-F474 HydrophobicContact CE2-CZ 4.43Å
127E97.2Very high95.1Very high93 Ų9355.6 Ų55.644%0.43529%0.286SS..Hα-helixtrans-63.6-41.3-177.8-63.8-59.7161.300111.7L123 D124 M125 R130 Q131 K165L123-E127 WeakPolarHBondContact O-CG 3.27Å; L123-E127 PolarHBondContact O-N 3.15Å; D124-E127 PolarHBondContact O-N 3.28Å; M125-E127 PolarHBondContact O-N 3.41Å; E127-R130 PolarHBondContact O-N 3.11Å; E127-Q131 WeakPolarHBondContact O-CB 3.42Å; E127-Q131 PolarHBondContact O-N 2.82Å; E127-K165 IonicContact OE1-NZ 2.66Å; E127-K165 PolarHBondContact OE1-NZ 2.92Å
128K95.9Very high95.6Very high115 Ų11554.5 Ų54.550%0.528%0.279SS..Hα-helixtrans-63.4-47.1175.9-73172.6-176.5173.60112.1S120 D124 M125 Y126 R130 Q131 A132S120-K128 PolarHBondContact OG-NZ 2.96Å; D124-K128 WeakPolarHBondContact O-CB 3.36Å; D124-K128 VanDerWaalsContact O-CG 3.29Å; D124-K128 WeakPolarHBondContact O-CG 3.26Å; D124-K128 PolarHBondContact O-N 2.65Å; M125-K128 PolarHBondContact O-N 3.16Å; Y126-K128 PolarHBondContact O-N 2.86Å; K128-R130 VanDerWaalsContact C-N 3.34Å; K128-Q131 PolarHBondContact O-N 3.21Å; K128-A132 PolarHBondContact O-N 3.27Å
129S95.9Very high96.2Very high22 Ų2251 Ų5115%0.15426%0.257CS..Hα-helixtrans-65.5-39179.5-65.50000111.6I115 M125 Y126 A132 A133I115-S129 WeakPolarHBondContact CD1-OG 3.25Å; I115-S129 WeakPolarHBondContact CG2-OG 3.43Å; M125-S129 WeakPolarHBondContact O-CB 3.33Å; M125-S129 PolarHBondContact O-N 3.24Å; M125-S129 PolarHBondContact O-OG 3.41Å; M125-S129 VanDerWaalsContact O-OG 3.06Å; Y126-S129 PolarHBondContact O-N 3.33Å; S129-A132 PolarHBondContact O-N 2.81Å; S129-A133 VanDerWaalsContact O-CB 3.28Å; S129-A133 WeakPolarHBondContact O-CB 3.48Å; S129-A133 PolarHBondContact O-N 3.24Å
130R97.2Very high96.8Very high51 Ų5140.3 Ų40.319%0.19221%0.211CC..Hα-helixtrans-63.4-46174.6-79.6-63.8-52.8-84.7-5.3111.6Y126 E127 K128 A132 A133 D134 Y141 M143Y126-R130 HydrophobicContact CD1-CG 4.19Å; Y126-R130 HydrophobicContact CD2-CG 4.16Å; Y126-R130 HydrophobicContact CE1-CG 3.74Å; Y126-R130 HydrophobicContact CE2-CG 3.72Å; Y126-R130 HydrophobicContact CG-CG 4.38Å; Y126-R130 VanDerWaalsContact CZ-CG 3.5Å; Y126-R130 VanDerWaalsContact O-CB 3.31Å; Y126-R130 WeakPolarHBondContact O-CB 3.35Å; Y126-R130 VanDerWaalsContact O-CG 3.31Å; Y126-R130 WeakPolarHBondContact O-CG 3.47Å; Y126-R130 PolarHBondContact O-N 2.98Å; Y126-R130 PolarHBondContact OH-NH1 3.44Å; E127-R130 PolarHBondContact O-N 3.11Å; K128-R130 VanDerWaalsContact C-N 3.34Å; R130-A132 VanDerWaalsContact C-N 3.33Å; R130-A132 PolarHBondContact O-N 2.92Å; R130-A133 PolarHBondContact O-N 2.92Å; R130-D134 IonicContact CZ-OD2 3.96Å; R130-D134 IonicContact NE-OD1 2.76Å; R130-D134 IonicContact NE-OD2 3.93Å; R130-D134 PolarHBondContact NE-OD2 2.68Å; R130-D134 VanDerWaalsContact NE-OD2 3.14Å; R130-D134 IonicContact NH2-OD1 3.85Å; R130-D134 IonicContact NH2-OD2 2.82Å; R130-D134 PolarHBondContact NH2-OD2 3.35Å; R130-D134 WeakPolarHBondContact O-CB 3.25Å; R130-D134 VanDerWaalsContact O-CG 3.29Å; R130-D134 PolarHBondContact O-N 3.43Å; R130-Y141 PolarHBondContact NE-OH 3.06Å; R130-M143 HydrophobicContact CG-CE 3.94Å
131Q96.8Very high97.2Very high148 Ų14838.3 Ų38.369%0.69220%0.196SC*.Hα-helixtrans-58.7-44.3176.4-174.5-178.612.400112.1E127 K128 S135E127-Q131 WeakPolarHBondContact O-CB 3.42Å; E127-Q131 PolarHBondContact O-N 2.82Å; K128-Q131 PolarHBondContact O-N 3.21Å; Q131-S135 WeakPolarHBondContact O-CB 3.46Å; Q131-S135 PolarHBondContact O-N 3.32Å; Q131-S135 PolarHBondContact O-OG 2.8Å
132A96.4Very high97.4Very high25 Ų2537.6 Ų37.621%0.20719%0.191CC..Hα-helixtrans-65.9-46.6178.100000111.9F96 K128 S129 R130 S135 K136F96-A132 HydrophobicContact CD2-CB 4.31Å; F96-A132 HydrophobicContact CE2-CB 4.34Å; K128-A132 PolarHBondContact O-N 3.27Å; S129-A132 PolarHBondContact O-N 2.81Å; R130-A132 VanDerWaalsContact C-N 3.33Å; R130-A132 PolarHBondContact O-N 2.92Å; A132-S135 PolarHBondContact O-OG 3.17Å; A132-S135 VanDerWaalsContact O-OG 3.07Å; A132-K136 WeakPolarHBondContact O-CB 3.17Å; A132-K136 WeakPolarHBondContact O-CG 3.23Å; A132-K136 PolarHBondContact O-N 3.22Å
133A97.8Very high97.5Very high0 Ų036.9 Ų36.90%019%0.188CC..Hα-helixtrans-72.3-46.6-176.900000112.8F96 S129 R130 S135 K136 A137 Y141 M143F96-A133 HydrophobicContact CD1-CB 3.69Å; F96-A133 HydrophobicContact CD2-CB 3.97Å; F96-A133 HydrophobicContact CE1-CB 3.62Å; F96-A133 HydrophobicContact CE2-CB 3.91Å; F96-A133 HydrophobicContact CG-CB 3.87Å; F96-A133 HydrophobicContact CZ-CB 3.73Å; S129-A133 VanDerWaalsContact O-CB 3.28Å; S129-A133 WeakPolarHBondContact O-CB 3.48Å; S129-A133 PolarHBondContact O-N 3.24Å; R130-A133 PolarHBondContact O-N 2.92Å; A133-S135 PolarHBondContact O-N 2.83Å; A133-S135 VanDerWaalsContact O-N 3.14Å; A133-K136 PolarHBondContact O-N 3.19Å; A133-A137 VanDerWaalsContact O-CB 3.27Å; A133-A137 WeakPolarHBondContact O-CB 3.37Å; A133-A137 PolarHBondContact O-N 3.28Å; A133-Y141 HydrophobicContact CB-CD2 4.06Å; A133-Y141 HydrophobicContact CB-CE1 3.96Å; A133-Y141 HydrophobicContact CB-CE2 3.34Å; A133-Y141 WeakPolarHBondContact CB-OH 3.38Å; A133-M143 HydrophobicContact CB-CE 4.39Å
134D98.1Very high97.5Very high60 Ų6034.7 Ų34.732%0.32118%0.176SC..Hα-helixtrans-60.1-28.1179.6-73.8-25.6000112.3R130 Y141 G470R130-D134 IonicContact CZ-OD2 3.96Å; R130-D134 IonicContact NE-OD1 2.76Å; R130-D134 IonicContact NE-OD2 3.93Å; R130-D134 PolarHBondContact NE-OD2 2.68Å; R130-D134 VanDerWaalsContact NE-OD2 3.14Å; R130-D134 IonicContact NH2-OD1 3.85Å; R130-D134 IonicContact NH2-OD2 2.82Å; R130-D134 PolarHBondContact NH2-OD2 3.35Å; R130-D134 WeakPolarHBondContact O-CB 3.25Å; R130-D134 VanDerWaalsContact O-CG 3.29Å; R130-D134 PolarHBondContact O-N 3.43Å; D134-Y141 VanDerWaalsContact CG-OH 3.22Å; D134-Y141 PolarHBondContact N-OH 3.42Å; D134-Y141 PolarHBondContact OD1-OH 3.45Å; D134-G470 WeakPolarHBondContact O-CA 3.46Å
135S97.6Very high97.5Very high64 Ų6430.8 Ų30.845%0.44816%0.155SC..THydrogen-bonded Turntrans-88.5-7.717862.80000114.5Q131 A132 A133 Q469Q131-S135 WeakPolarHBondContact O-CB 3.46Å; Q131-S135 PolarHBondContact O-N 3.32Å; Q131-S135 PolarHBondContact O-OG 2.8Å; A132-S135 PolarHBondContact O-OG 3.17Å; A132-S135 VanDerWaalsContact O-OG 3.07Å; A133-S135 PolarHBondContact O-N 2.83Å; A133-S135 VanDerWaalsContact O-N 3.14Å; S135-Q469 WeakPolarHBondContact O-CG 3.48Å; S135-Q469 PolarHBondContact O-NE2 3.45Å
136K98.2Very high97.5Very high45 Ų4530.8 Ų30.820%0.19616%0.155CC..THydrogen-bonded Turntrans-129.9-38.6-170.2-70.9-177.9179.2-1710114.8D84 D95 F96 A132 A133 C138 Q469 G470D84-K136 IonicContact OD2-NZ 3.47Å; D84-K136 PolarHBondContact OD2-NZ 2.67Å; D95-K136 WeakPolarHBondContact OD2-CE 3.4Å; D95-K136 IonicContact OD2-NZ 3.54Å; D95-K136 PolarHBondContact OD2-NZ 3.41Å; F96-K136 HydrophobicContact CB-CB 3.67Å; F96-K136 HydrophobicContact CB-CD 4.31Å; A132-K136 WeakPolarHBondContact O-CB 3.17Å; A132-K136 WeakPolarHBondContact O-CG 3.23Å; A132-K136 PolarHBondContact O-N 3.22Å; A133-K136 PolarHBondContact O-N 3.19Å; K136-C138 PolarHBondContact O-N 2.73Å; K136-Q469 WeakPolarHBondContact O-CG 3.45Å; K136-G470 PolarHBondContact O-N 3.03Å
137A98.3Very high97.5Very high0 Ų030.4 Ų30.40%015%0.154CC..  trans-59.7133.3-171.400000112.2T100 A133 Y141 G470 A471 G472T100-A137 HydrophobicContact CG2-CB 4.16Å; A133-A137 VanDerWaalsContact O-CB 3.27Å; A133-A137 WeakPolarHBondContact O-CB 3.37Å; A133-A137 PolarHBondContact O-N 3.28Å; A137-Y141 HydrophobicContact CB-CD1 3.81Å; A137-Y141 HydrophobicContact CB-CE1 4.13Å; A137-G470 CarbonylContact O-C 3.58Å; A137-G470 VanDerWaalsContact O-CA 3.24Å; A137-G470 WeakPolarHBondContact O-CA 3.33Å; A137-G470 PolarHBondContact O-N 3.16Å; A137-A471 PolarHBondContact O-N 3.02Å; A137-A471 VanDerWaalsContact O-N 3.15Å; A137-G472 PolarHBondContact O-N 3.39Å
138C98.3Very high97.3Very high5 Ų529.9 Ų29.93%0.03415%0.151CC..SBendtrans-92.5-20177.7-59.80000112.7Y97 T100 L104 K136 V467Y97-C138 WeakPolarHBondContact CD2-SG 3.38Å; T100-C138 WeakPolarHBondContact OG1-CB 3.39Å; T100-C138 PolarHBondContact OG1-N 3.08Å; L104-C138 HydrophobicContact CD1-CB 3.75Å; K136-C138 PolarHBondContact O-N 2.73Å; C138-V467 HydrophobicContact CB-CB 3.98Å; C138-V467 HydrophobicContact CB-CG1 4.19Å; C138-V467 HydrophobicContact CB-CG2 4.5Å
139C98.4Very high97.2Very high0 Ų028.1 Ų28.10%014%0.144CC..SBendtrans-129.5163.4178.9710000110.8L104 T109 G472L104-C139 HydrophobicContact CD1-CB 3.93Å; L104-C139 HydrophobicContact CD2-CB 3.69Å; L104-C139 HydrophobicContact CG-CB 3.81Å; T109-C139 WeakPolarHBondContact O-CB 3.48Å; C139-G472 VanDerWaalsContact C-CA 3.42Å; C139-G472 WeakPolarHBondContact O-CA 3.43Å
140D98.7Very high97.2Very high0 Ų029.8 Ų29.80%015%0.147CC..EExtended strand (participates in β ladder)trans-61.4147.2-179-79.3-3.5000110.9T109 T110 I111 K404 R473 V475T109-D140 PolarHBondContact O-N 3.47Å; T110-D140 VanDerWaalsContact CA-O 3.25Å; T110-D140 WeakPolarHBondContact CA-O 3.37Å; I111-D140 PolarHBondContact N-O 3.44Å; D140-K404 IonicContact OD2-NZ 2.75Å; D140-K404 PolarHBondContact OD2-NZ 3.2Å; D140-R473 WeakPolarHBondContact CA-O 3.24Å; D140-R473 WeakPolarHBondContact OD1-CB 3.33Å; D140-R473 PolarHBondContact OD1-N 3.11Å; D140-R473 IonicContact OD1-NE 3.81Å; D140-R473 PolarHBondContact OD1-NE 3.11Å; D140-R473 IonicContact OD1-NH2 2.86Å; D140-R473 IonicContact OD2-CZ 3.84Å; D140-R473 IonicContact OD2-NE 2.82Å; D140-R473 IonicContact OD2-NH2 3.53Å; D140-R473 PolarHBondContact OD2-NH2 2.87Å; D140-V475 HydrophobicContact CB-CG2 3.77Å
141Y98.7Very high97.2Very high0 Ų030 Ų300%015%0.152CC..EExtended strand (participates in β ladder)trans-147.9157.2-173.574.6-82000113.4I111 R130 A133 D134 A137 M143 R473 F474 V475I111-Y141 CarbonylContact O-C 3.5Å; I111-Y141 WeakPolarHBondContact O-CA 3.41Å; R130-Y141 PolarHBondContact NE-OH 3.06Å; A133-Y141 HydrophobicContact CB-CD2 4.06Å; A133-Y141 HydrophobicContact CB-CE1 3.96Å; A133-Y141 HydrophobicContact CB-CE2 3.34Å; A133-Y141 WeakPolarHBondContact CB-OH 3.38Å; D134-Y141 VanDerWaalsContact CG-OH 3.22Å; D134-Y141 PolarHBondContact N-OH 3.42Å; D134-Y141 PolarHBondContact OD1-OH 3.45Å; A137-Y141 HydrophobicContact CB-CD1 3.81Å; A137-Y141 HydrophobicContact CB-CE1 4.13Å; Y141-M143 HydrophobicContact CD2-CE 4.4Å; Y141-M143 HydrophobicContact CE2-CE 3.62Å; Y141-R473 PolarHBondContact N-O 3.01Å; Y141-F474 HydrophobicContact CD2-CD2 4.24Å; Y141-F474 HydrophobicContact CE1-CB 4.16Å; Y141-F474 HydrophobicContact CE2-CB 4.32Å; Y141-F474 AromaticContact CE2-CD2 3.78Å; Y141-F474 HydrophobicContact CE2-CD2 3.78Å; Y141-F474 CarbonylContact O-C 3.56Å; Y141-F474 WeakPolarHBondContact O-CA 3.27Å; Y141-V475 PolarHBondContact O-N 3.21Å
142S98.5Very high97.2Very high2 Ų227.2 Ų27.21%0.01415%0.149CC..EExtended strand (participates in β ladder)trans-133.6-174.2169.5-159.10000110.6I111 N113 V475I111-S142 PolarHBondContact O-N 2.86Å; N113-S142 PolarHBondContact N-O 3.36Å; S142-V475 WeakPolarHBondContact CB-O 3.43Å; S142-V475 PolarHBondContact OG-O 2.77Å
143M98.1Very high97.2Very high0 Ų031.7 Ų31.70%016%0.164CC..EExtended strand (participates in β ladder)trans-137.8145.4-175.2-63.7-173.8-171.500115N113 I115 R130 A133 Y141 F145 F474N113-M143 VanDerWaalsContact O-CA 3.28Å; N113-M143 WeakPolarHBondContact O-CA 3.44Å; I115-M143 HydrophobicContact CD1-CE 4.49Å; I115-M143 HydrophobicContact CD1-CG 4.16Å; I115-M143 HydrophobicContact CD1-SD 3.79Å; I115-M143 HydrophobicContact CG1-CB 4.2Å; I115-M143 HydrophobicContact CG1-CG 4.22Å; I115-M143 HydrophobicContact CG1-SD 3.76Å; R130-M143 HydrophobicContact CG-CE 3.94Å; A133-M143 HydrophobicContact CB-CE 4.39Å; Y141-M143 HydrophobicContact CD2-CE 4.4Å; Y141-M143 HydrophobicContact CE2-CE 3.62Å; M143-F145 HydrophobicContact CB-CE2 4.08Å; M143-F145 HydrophobicContact SD-CE2 4.38Å; M143-F145 HydrophobicContact SD-CZ 4.46Å; M143-F474 HydrophobicContact CG-CE2 4.3Å
144H97.9Very high97.2Very high0 Ų032.5 Ų32.50%017%0.168CC..EExtended strand (participates in β ladder)trans-109.4151.9163.1-55.5-48.7000109.9P79 I112 N113 I115 S169 Q202 F398P79-H144 PolarHBondContact O-CD2 2.87Å; P79-H144 PolarHBondContact O-NE2 2.67Å; I112-H144 WeakPolarHBondContact CG2-CE1 3.43Å; I112-H144 VanDerWaalsContact CG2-NE2 3.26Å; I112-H144 WeakPolarHBondContact CG2-NE2 3.37Å; N113-H144 PolarHBondContact O-N 3.32Å; I115-H144 WeakPolarHBondContact CB-O 3.47Å; I115-H144 WeakPolarHBondContact CG1-O 3.45Å; I115-H144 PolarHBondContact N-O 2.96Å; H144-S169 PolarHBondContact CE1-OG 3.35Å; H144-S169 VanDerWaalsContact CE1-OG 3.22Å; H144-S169 VanDerWaalsContact ND1-CB 3.29Å; H144-S169 WeakPolarHBondContact ND1-CB 3.22Å; H144-S169 PolarHBondContact ND1-OG 3.37Å; H144-Q202 PolarHBondContact CD2-OE1 3.16Å; H144-Q202 PolarHBondContact CE1-NE2 2.92Å; H144-Q202 VanDerWaalsContact CG-OE1 3.31Å; H144-Q202 PolarHBondContact NE2-NE2 3.21Å; H144-Q202 VanDerWaalsContact NE2-NE2 3.15Å; H144-F398 AromaticContact CE1-CD1 3.66Å; H144-F398 AromaticContact CE1-CE1 3.37Å; H144-F398 WeakPolarHBondContact CE1-CE1 3.05Å; H144-F398 AromaticContact CE1-CZ 3.78Å
145F97.5Very high97.2Very high0 Ų030.3 Ų30.30%016%0.157CC..EExtended strand (participates in β ladder)trans-117.6129.7174.3-79.7-104.4000111.3I115 L122 M125 Y126 M143 L161 V167 S169 F170 R171I115-F145 HydrophobicContact CB-CD1 4.16Å; I115-F145 HydrophobicContact CB-CE1 4.08Å; I115-F145 HydrophobicContact CB-CG 4.45Å; I115-F145 HydrophobicContact CB-CZ 4.26Å; I115-F145 HydrophobicContact CG1-CE1 4.29Å; I115-F145 HydrophobicContact CG1-CE2 4.11Å; I115-F145 HydrophobicContact CG1-CZ 3.96Å; I115-F145 HydrophobicContact CG2-CD1 4.35Å; I115-F145 HydrophobicContact CG2-CE1 4Å; I115-F145 HydrophobicContact CG2-CZ 4.44Å; L122-F145 HydrophobicContact CD2-CD1 4.21Å; L122-F145 WeakPolarHBondContact O-CE1 3.28Å; M125-F145 HydrophobicContact CB-CE1 4.08Å; M125-F145 HydrophobicContact CE-CD1 4.21Å; M125-F145 HydrophobicContact CE-CE1 4.4Å; Y126-F145 HydrophobicContact CD2-CE2 4.25Å; Y126-F145 HydrophobicContact CD2-CZ 4Å; Y126-F145 HydrophobicContact CG-CZ 4.32Å; M143-F145 HydrophobicContact CB-CE2 4.08Å; M143-F145 HydrophobicContact SD-CE2 4.38Å; M143-F145 HydrophobicContact SD-CZ 4.46Å; F145-L161 HydrophobicContact CD1-CD1 4.15Å; F145-L161 HydrophobicContact CD2-CD1 4.22Å; F145-L161 HydrophobicContact CE1-CD1 4.38Å; F145-L161 HydrophobicContact CE2-CD1 4.47Å; F145-L161 HydrophobicContact CE2-CD2 4.39Å; F145-L161 HydrophobicContact CG-CD1 4.07Å; F145-L161 HydrophobicContact CZ-CD2 4.27Å; F145-V167 HydrophobicContact CD2-CG1 3.83Å; F145-V167 HydrophobicContact CD2-CG2 4.29Å; F145-V167 HydrophobicContact CE2-CG1 4.27Å; F145-V167 HydrophobicContact CE2-CG2 3.88Å; F145-S169 PolarHBondContact N-O 3.47Å; F145-F170 HydrophobicContact CB-CD1 3.93Å; F145-F170 HydrophobicContact CB-CE1 4.22Å; F145-F170 CarbonylContact O-C 3.5Å; F145-F170 VanDerWaalsContact O-CA 3.3Å; F145-F170 WeakPolarHBondContact O-CA 3.26Å; F145-R171 PolarHBondContact O-N 3.47Å
146I96.1Very high97.2Very high5 Ų533.8 Ų33.83%0.02617%0.165CC..EExtended strand (participates in β ladder)trans-78.2134.7172.8-61.2173.1000109.5C114 I115 V116 P117 R171 F173 M180C114-I146 VanDerWaalsContact SG-CD1 3.53Å; C114-I146 WeakPolarHBondContact SG-CG1 3.43Å; I115-I146 PolarHBondContact O-N 2.79Å; V116-I146 HydrophobicContact CG2-CD1 4.18Å; P117-I146 HydrophobicContact CG-CB 3.64Å; P117-I146 HydrophobicContact CG-CG2 3.56Å; I146-R171 CarbonylContact C-O 3.56Å; I146-R171 VanDerWaalsContact CA-O 3.26Å; I146-R171 WeakPolarHBondContact CA-O 3.46Å; I146-R171 HydrophobicContact CG1-CB 4.12Å; I146-R171 HydrophobicContact CG1-CG 4.37Å; I146-F173 HydrophobicContact CB-CE2 4.35Å; I146-F173 HydrophobicContact CD1-CE2 3.5Å; I146-F173 HydrophobicContact CD1-CZ 3.91Å; I146-F173 HydrophobicContact CG1-CE2 3.79Å; I146-F173 HydrophobicContact CG2-CD2 3.8Å; I146-F173 HydrophobicContact CG2-CE2 3.63Å; I146-M180 HydrophobicContact CG2-SD 3.99Å
147L95.9Very high97.2Very high3 Ų332.7 Ų32.72%0.01616%0.16CC..  trans-117.4130.4172.1-54179000108.3L122 I154 M158 F170 R171 V172 V182 I190L122-L147 HydrophobicContact CD1-CD2 3.68Å; L122-L147 HydrophobicContact CD2-CD2 3.95Å; L122-L147 HydrophobicContact CG-CD2 4.48Å; L147-I154 HydrophobicContact CD2-CG2 4.09Å; L147-M158 HydrophobicContact CD1-CE 3.78Å; L147-M158 HydrophobicContact CD1-CG 4.14Å; L147-M158 HydrophobicContact CD1-SD 3.67Å; L147-F170 HydrophobicContact CD1-CB 3.87Å; L147-F170 HydrophobicContact CD1-CD1 3.9Å; L147-F170 HydrophobicContact CD1-CG 3.99Å; L147-F170 HydrophobicContact CD2-CD1 4.28Å; L147-F170 HydrophobicContact CG-CB 4.29Å; L147-F170 HydrophobicContact CG-CD1 4.15Å; L147-R171 PolarHBondContact N-O 3.46Å; L147-V172 HydrophobicContact CB-CG1 4.29Å; L147-V182 WeakPolarHBondContact O-CG2 3.41Å; L147-I190 HydrophobicContact CB-CD1 4.03Å; L147-I190 HydrophobicContact CD1-CD1 4.4Å; L147-I190 HydrophobicContact CD1-CG1 4.33Å; L147-I190 HydrophobicContact CD1-CG2 3.91Å
148F93.4Very high97.2Very high83 Ų8332.7 Ų32.736%0.36416%0.16SC..  trans-115.3-2.3179.765.3-91.1000113.3P117 M180P117-F148 HydrophobicContact CB-CD1 3.61Å; P117-F148 HydrophobicContact CB-CE1 3.63Å; P117-F148 HydrophobicContact CG-CD1 3.79Å; P117-F148 HydrophobicContact CG-CE1 4.33Å; F148-M180 HydrophobicContact CB-CB 4.19Å
149Q93.9Very high97.2Very high77 Ų7735.3 Ų35.336%0.3617%0.172SC..  trans-157.2168.4175.271.8-176.536.800109.9D151 I154 D186Q149-D151 PolarHBondContact NE2-OD2 3.44Å; Q149-I154 HydrophobicContact CG-CD1 3.36Å; Q149-I154 VanDerWaalsContact O-CD1 3.31Å; Q149-I154 WeakPolarHBondContact O-CD1 3.14Å; Q149-D186 WeakPolarHBondContact CA-OD2 3.43Å
150Y95.9Very high97.2Very high58 Ų5838.1 Ų38.123%0.22719%0.187CC..  trans-122.4131.4172.1-172.5-98.3000112.3S155 D186 E189 I190 R193Y150-S155 PolarHBondContact OH-OG 2.98Å; Y150-D186 VanDerWaalsContact N-CG 3.3Å; Y150-D186 PolarHBondContact N-OD2 3.13Å; Y150-E189 HydrophobicContact CD1-CB 3.45Å; Y150-E189 VanDerWaalsContact CD1-CB 3.45Å; Y150-E189 HydrophobicContact CD1-CG 4.15Å; Y150-E189 HydrophobicContact CD2-CB 4.17Å; Y150-E189 HydrophobicContact CE1-CB 3.58Å; Y150-E189 HydrophobicContact CE1-CG 4.2Å; Y150-E189 HydrophobicContact CE2-CB 4.28Å; Y150-E189 HydrophobicContact CG-CB 3.76Å; Y150-I190 HydrophobicContact CD2-CG1 3.68Å; Y150-I190 HydrophobicContact CG-CG1 4.26Å; Y150-R193 HydrophobicContact CE2-CB 4.07Å; Y150-R193 HydrophobicContact CE2-CG 4.42Å
151D96.4Very high97.2Very high54 Ų5438.1 Ų38.129%0.28919%0.187SC..  trans-153.5174.7169.564.350000111Q149 K153 I154 S155Q149-D151 PolarHBondContact NE2-OD2 3.44Å; D151-K153 PolarHBondContact O-N 3.36Å; D151-K153 WeakPolarHBondContact OD1-CA 3.43Å; D151-K153 VanDerWaalsContact OD1-CB 3.25Å; D151-K153 WeakPolarHBondContact OD1-CB 3.33Å; D151-K153 PolarHBondContact OD1-N 2.87Å; D151-I154 PolarHBondContact O-N 3.34Å; D151-I154 PolarHBondContact OD1-N 3.18Å; D151-S155 WeakPolarHBondContact O-CB 3.17Å; D151-S155 PolarHBondContact O-N 3.4Å
152S97Very high97.2Very high91 Ų9138.4 Ų38.464%0.63619%0.188SC*.Hα-helixtrans-62.5-26.6-179.470.40000114.3K156S152-K156 WeakPolarHBondContact O-CG 3.47Å; S152-K156 PolarHBondContact O-N 2.85Å
153K96.8Very high97.2Very high118 Ų11845 Ų4551%0.51322%0.217SC..Hα-helixtrans-75.4-51.3177.9176.6-171.6170.2-171.50109.3D151 S155 K156 E157D151-K153 PolarHBondContact O-N 3.36Å; D151-K153 WeakPolarHBondContact OD1-CA 3.43Å; D151-K153 VanDerWaalsContact OD1-CB 3.25Å; D151-K153 WeakPolarHBondContact OD1-CB 3.33Å; D151-K153 PolarHBondContact OD1-N 2.87Å; K153-S155 VanDerWaalsContact C-N 3.28Å; K153-S155 PolarHBondContact O-N 3.35Å; K153-K156 PolarHBondContact O-N 2.84Å; K153-K156 VanDerWaalsContact O-N 3.13Å; K153-E157 WeakPolarHBondContact CE-OE1 3.34Å; K153-E157 IonicContact NZ-OE1 2.79Å; K153-E157 PolarHBondContact O-N 2.93Å
154I97Very high97.1Very high17 Ų1751.4 Ų51.49%0.08725%0.247CC..Hα-helixtrans-55.7-46175.7-69.3173.7000110.2L122 L147 Q149 D151 K156 E157 M158L122-I154 HydrophobicContact CD1-CG2 4.23Å; L147-I154 HydrophobicContact CD2-CG2 4.09Å; Q149-I154 HydrophobicContact CG-CD1 3.36Å; Q149-I154 VanDerWaalsContact O-CD1 3.31Å; Q149-I154 WeakPolarHBondContact O-CD1 3.14Å; D151-I154 PolarHBondContact O-N 3.34Å; D151-I154 PolarHBondContact OD1-N 3.18Å; I154-K156 VanDerWaalsContact C-N 3.28Å; I154-K156 PolarHBondContact O-N 2.72Å; I154-E157 PolarHBondContact O-N 3.43Å; I154-E157 VanDerWaalsContact O-N 3.13Å; I154-M158 HydrophobicContact CG2-CG 4.2Å; I154-M158 HydrophobicContact CG2-SD 3.98Å; I154-M158 VanDerWaalsContact O-CG 3.25Å; I154-M158 WeakPolarHBondContact O-CG 3.44Å; I154-M158 PolarHBondContact O-N 3.16Å
155S98.1Very high97.1Very high14 Ų1454 Ų5410%0.09826%0.258CS..Hα-helixtrans-58.5-37.1179.1-167.30000113.3Y150 D151 K153 E159 R193Y150-S155 PolarHBondContact OH-OG 2.98Å; D151-S155 WeakPolarHBondContact O-CB 3.17Å; D151-S155 PolarHBondContact O-N 3.4Å; K153-S155 VanDerWaalsContact C-N 3.28Å; K153-S155 PolarHBondContact O-N 3.35Å; S155-E159 PolarHBondContact O-N 3.16Å; S155-R193 PolarHBondContact O-NE 3.37Å; S155-R193 PolarHBondContact O-NH2 3.44Å; S155-R193 WeakPolarHBondContact OG-CD 3.4Å; S155-R193 PolarHBondContact OG-NE 3.34Å
156K98.3Very high97.1Very high138 Ų13854.5 Ų54.560%0.626%0.263SS*.Hα-helixtrans-72.7-42.6174.2-73.4174.9-177.7179.10112.2S152 K153 I154 M158 E159 L160S152-K156 WeakPolarHBondContact O-CG 3.47Å; S152-K156 PolarHBondContact O-N 2.85Å; K153-K156 PolarHBondContact O-N 2.84Å; K153-K156 VanDerWaalsContact O-N 3.13Å; I154-K156 VanDerWaalsContact C-N 3.28Å; I154-K156 PolarHBondContact O-N 2.72Å; K156-M158 VanDerWaalsContact C-N 3.34Å; K156-M158 PolarHBondContact O-N 3.39Å; K156-E159 WeakPolarHBondContact O-CB 3.34Å; K156-E159 PolarHBondContact O-N 3.46Å; K156-L160 PolarHBondContact O-N 2.84Å; K156-L160 VanDerWaalsContact O-N 3.11Å
157E98.2Very high97.2Very high21 Ų2154.2 Ų54.210%0.09826%0.261CS..Hα-helixtrans-65-38.1178.2-70.7179.6-17900111.8S121 L122 L123 K153 I154 E159 L160 L161S121-E157 VanDerWaalsContact CB-OE1 3.26Å; S121-E157 WeakPolarHBondContact CB-OE1 3.28Å; L122-E157 HydrophobicContact CB-CB 4.09Å; L122-E157 WeakPolarHBondContact CB-OE2 3.4Å; L122-E157 HydrophobicContact CD1-CB 3.98Å; L122-E157 HydrophobicContact CG-CB 4.4Å; L122-E157 WeakPolarHBondContact CG-OE2 3.46Å; L122-E157 PolarHBondContact N-OE2 3.16Å; L123-E157 HydrophobicContact CD1-CG 4.27Å; L123-E157 HydrophobicContact CG-CB 4.46Å; L123-E157 HydrophobicContact CG-CG 4.19Å; K153-E157 WeakPolarHBondContact CE-OE1 3.34Å; K153-E157 IonicContact NZ-OE1 2.79Å; K153-E157 PolarHBondContact O-N 2.93Å; I154-E157 PolarHBondContact O-N 3.43Å; I154-E157 VanDerWaalsContact O-N 3.13Å; E157-E159 VanDerWaalsContact C-N 3.28Å; E157-E159 PolarHBondContact O-N 3.32Å; E157-L160 PolarHBondContact O-N 2.88Å; E157-L161 WeakPolarHBondContact O-CB 3.47Å; E157-L161 WeakPolarHBondContact O-CG 3.24Å; E157-L161 PolarHBondContact O-N 2.92Å
158M98.5Very high97.3Very high0 Ų054.2 Ų54.20%026%0.261CS..Hα-helixtrans-55.7-43.5170.8-70.9170.974.100111.7L122 L147 I154 K156 L161 V162 F170 I190 R193 L197L122-M158 HydrophobicContact CD1-CG 4.42Å; L147-M158 HydrophobicContact CD1-CE 3.78Å; L147-M158 HydrophobicContact CD1-CG 4.14Å; L147-M158 HydrophobicContact CD1-SD 3.67Å; I154-M158 HydrophobicContact CG2-CG 4.2Å; I154-M158 HydrophobicContact CG2-SD 3.98Å; I154-M158 VanDerWaalsContact O-CG 3.25Å; I154-M158 WeakPolarHBondContact O-CG 3.44Å; I154-M158 PolarHBondContact O-N 3.16Å; K156-M158 VanDerWaalsContact C-N 3.34Å; K156-M158 PolarHBondContact O-N 3.39Å; M158-L161 PolarHBondContact O-N 3.4Å; M158-V162 VanDerWaalsContact O-CG2 3.23Å; M158-V162 WeakPolarHBondContact O-CG2 3.48Å; M158-V162 PolarHBondContact O-N 3.37Å; M158-F170 HydrophobicContact CB-CE1 4.2Å; M158-F170 HydrophobicContact CB-CE2 4.23Å; M158-F170 HydrophobicContact CB-CZ 3.73Å; M158-F170 HydrophobicContact CE-CD2 3.77Å; M158-F170 HydrophobicContact CE-CE2 3.89Å; M158-F170 HydrophobicContact CE-CG 4.1Å; M158-F170 HydrophobicContact CE-CZ 4.32Å; M158-F170 HydrophobicContact CG-CD1 4.33Å; M158-F170 HydrophobicContact CG-CE1 3.83Å; M158-F170 HydrophobicContact CG-CE2 4.35Å; M158-F170 HydrophobicContact CG-CZ 3.84Å; M158-I190 HydrophobicContact CE-CG2 4.46Å; M158-R193 HydrophobicContact CE-CB 4.03Å; M158-R193 HydrophobicContact CE-CG 3.69Å; M158-R193 HydrophobicContact SD-CB 4.46Å; M158-R193 HydrophobicContact SD-CG 3.85Å; M158-L197 HydrophobicContact CB-CD1 3.82Å
159E98.5Very high97.6Very high60 Ų6050.3 Ų50.328%0.2824%0.244SC..Hα-helixtrans-65.8-42178.9173.1171.4-168.500112.8S155 K156 E157 V162 K163 R193 L197S155-E159 PolarHBondContact O-N 3.16Å; K156-E159 WeakPolarHBondContact O-CB 3.34Å; K156-E159 PolarHBondContact O-N 3.46Å; E157-E159 VanDerWaalsContact C-N 3.28Å; E157-E159 PolarHBondContact O-N 3.32Å; E159-V162 PolarHBondContact O-N 2.86Å; E159-K163 HydrophobicContact CG-CD 3.75Å; E159-K163 HydrophobicContact CG-CG 4.3Å; E159-K163 WeakPolarHBondContact O-CB 3.21Å; E159-K163 WeakPolarHBondContact O-CG 3.43Å; E159-K163 PolarHBondContact O-N 2.8Å; E159-K163 WeakPolarHBondContact OE1-CE 3.21Å; E159-K163 IonicContact OE1-NZ 2.73Å; E159-K163 PolarHBondContact OE1-NZ 2.87Å; E159-R193 VanDerWaalsContact CB-NH2 3.26Å; E159-R193 IonicContact OE2-CZ 3.85Å; E159-R193 IonicContact OE2-NH1 3.75Å; E159-R193 IonicContact OE2-NH2 2.55Å; E159-R193 PolarHBondContact OE2-NH2 3.33Å; E159-L197 HydrophobicContact CB-CD1 4.41Å; E159-L197 HydrophobicContact CB-CD2 3.83Å; E159-L197 HydrophobicContact CG-CD2 4.02Å
160L98.3Very high97.8Very high60 Ų6046.6 Ų46.631%0.31423%0.227SC..Hα-helixtrans-64.7-42.9176.2-68.8170.5000111.2L123 K156 E157 V162 E164 K165L123-L160 HydrophobicContact CD1-CD1 3.77Å; L123-L160 HydrophobicContact CD2-CB 4Å; K156-L160 PolarHBondContact O-N 2.84Å; K156-L160 VanDerWaalsContact O-N 3.11Å; E157-L160 PolarHBondContact O-N 2.88Å; L160-V162 VanDerWaalsContact C-N 3.31Å; L160-V162 PolarHBondContact O-N 2.94Å; L160-E164 VanDerWaalsContact CD2-OE1 3.3Å; L160-E164 WeakPolarHBondContact CD2-OE1 3.21Å; L160-E164 WeakPolarHBondContact O-CB 3.43Å; L160-E164 PolarHBondContact O-N 2.85Å; L160-K165 PolarHBondContact O-N 3.39Å
161L98.4Very high97.9Very high0 Ų044.2 Ų44.20%022%0.217CC..Hα-helixtrans-58.2-43.8174.9-75.2175.8000111.9L122 L123 Y126 F145 E157 M158 K165 G166 V167 F170L122-L161 HydrophobicContact CB-CD1 3.93Å; L122-L161 HydrophobicContact CD1-CD1 4.34Å; L123-L161 HydrophobicContact CD2-CD2 4.06Å; L123-L161 HydrophobicContact CD2-CG 4.14Å; Y126-L161 HydrophobicContact CD2-CD2 3.92Å; Y126-L161 HydrophobicContact CG-CD2 3.92Å; F145-L161 HydrophobicContact CD1-CD1 4.15Å; F145-L161 HydrophobicContact CD2-CD1 4.22Å; F145-L161 HydrophobicContact CE1-CD1 4.38Å; F145-L161 HydrophobicContact CE2-CD1 4.47Å; F145-L161 HydrophobicContact CE2-CD2 4.39Å; F145-L161 HydrophobicContact CG-CD1 4.07Å; F145-L161 HydrophobicContact CZ-CD2 4.27Å; E157-L161 WeakPolarHBondContact O-CB 3.47Å; E157-L161 WeakPolarHBondContact O-CG 3.24Å; E157-L161 PolarHBondContact O-N 2.92Å; M158-L161 PolarHBondContact O-N 3.4Å; L161-K165 HydrophobicContact CD2-CB 4.26Å; L161-K165 HydrophobicContact CD2-CG 4.29Å; L161-K165 CarbonylContact O-C 3.54Å; L161-K165 WeakPolarHBondContact O-CA 3.14Å; L161-K165 WeakPolarHBondContact O-CB 3.24Å; L161-K165 PolarHBondContact O-N 3.29Å; L161-G166 PolarHBondContact O-N 2.95Å; L161-V167 HydrophobicContact CB-CB 4.19Å; L161-V167 HydrophobicContact CD2-CG2 4.45Å; L161-V167 PolarHBondContact O-N 3.13Å; L161-F170 HydrophobicContact CB-CZ 4.47Å; L161-F170 HydrophobicContact CD1-CE1 4.01Å
162V98.5Very high98Very high5 Ų541.6 Ų41.63%0.0320%0.204CC..Hα-helixtrans-71.3-50-179.6173.90000112.4M158 E159 L160 V167 F170 L197 A199 P479M158-V162 VanDerWaalsContact O-CG2 3.23Å; M158-V162 WeakPolarHBondContact O-CG2 3.48Å; M158-V162 PolarHBondContact O-N 3.37Å; E159-V162 PolarHBondContact O-N 2.86Å; L160-V162 VanDerWaalsContact C-N 3.31Å; L160-V162 PolarHBondContact O-N 2.94Å; V162-V167 WeakPolarHBondContact CA-O 3.32Å; V162-V167 WeakPolarHBondContact CG2-O 3.33Å; V162-F170 HydrophobicContact CG2-CE2 3.72Å; V162-F170 HydrophobicContact CG2-CZ 3.88Å; V162-L197 HydrophobicContact CG1-CB 4.29Å; V162-L197 HydrophobicContact CG2-CB 4.19Å; V162-L197 HydrophobicContact CG2-CD1 4.13Å; V162-A199 HydrophobicContact CG2-CB 4.22Å; V162-P479 HydrophobicContact CG1-CB 3.66Å; V162-P479 HydrophobicContact CG1-CG 3.89Å
163K97.8Very high98Very high141 Ų14138 Ų3861%0.61318%0.176SC*.Hα-helixtrans-78.3-33.1-172.2-69.9-175.2175.9177.80113.4E159E159-K163 HydrophobicContact CG-CD 3.75Å; E159-K163 HydrophobicContact CG-CG 4.3Å; E159-K163 WeakPolarHBondContact O-CB 3.21Å; E159-K163 WeakPolarHBondContact O-CG 3.43Å; E159-K163 PolarHBondContact O-N 2.8Å; E159-K163 WeakPolarHBondContact OE1-CE 3.21Å; E159-K163 IonicContact OE1-NZ 2.73Å; E159-K163 PolarHBondContact OE1-NZ 2.87Å
164E97.8Very high98Very high134 Ų13432.3 Ų32.363%0.62615%0.152SC*.Hα-helixtrans-116-24.3-169.2-56.5-176-170.200113.8L160L160-E164 VanDerWaalsContact CD2-OE1 3.3Å; L160-E164 WeakPolarHBondContact CD2-OE1 3.21Å; L160-E164 WeakPolarHBondContact O-CB 3.43Å; L160-E164 PolarHBondContact O-N 2.85Å
165K97.8Very high97.7Very high56 Ų5631.7 Ų31.724%0.24315%0.149CC..SBendtrans-112.6-2.3-170.9-53.6-60.7-171.6159.50114.3Y126 E127 L160 L161 F474Y126-K165 HydrophobicContact CD1-CD 4.13Å; Y126-K165 HydrophobicContact CD1-CG 4.26Å; Y126-K165 HydrophobicContact CD2-CB 4.16Å; Y126-K165 HydrophobicContact CE1-CB 4.08Å; Y126-K165 HydrophobicContact CE1-CD 3.58Å; Y126-K165 HydrophobicContact CE1-CG 4.01Å; Y126-K165 HydrophobicContact CE2-CB 3.66Å; Y126-K165 HydrophobicContact CE2-CG 4.41Å; Y126-K165 PolarHBondContact OH-O 3.38Å; E127-K165 IonicContact OE1-NZ 2.66Å; E127-K165 PolarHBondContact OE1-NZ 2.92Å; L160-K165 PolarHBondContact O-N 3.39Å; L161-K165 HydrophobicContact CD2-CB 4.26Å; L161-K165 HydrophobicContact CD2-CG 4.29Å; L161-K165 CarbonylContact O-C 3.54Å; L161-K165 WeakPolarHBondContact O-CA 3.14Å; L161-K165 WeakPolarHBondContact O-CB 3.24Å; L161-K165 PolarHBondContact O-N 3.29Å; K165-F474 WeakPolarHBondContact O-CE1 3.37Å; K165-F474 WeakPolarHBondContact O-CZ 3.42Å
166G97.6Very high96.8Very high9 Ų932.7 Ų32.79%0.09315%0.153CC..  trans70.335.117500000113.9L161 A477L161-G166 PolarHBondContact O-N 2.95Å; G166-A477 CarbonylContact C-O 3.55Å; G166-A477 PolarHBondContact O-N 2.99Å
167V98Very high95.6Very high0 Ų027.2 Ų27.20%013%0.131CC..  trans-105.8121.9173.4173.80000108.4Y126 F145 L161 V162Y126-V167 HydrophobicContact CD2-CG2 4.26Å; Y126-V167 HydrophobicContact CE2-CG2 4.26Å; F145-V167 HydrophobicContact CD2-CG1 3.83Å; F145-V167 HydrophobicContact CD2-CG2 4.29Å; F145-V167 HydrophobicContact CE2-CG1 4.27Å; F145-V167 HydrophobicContact CE2-CG2 3.88Å; L161-V167 HydrophobicContact CB-CB 4.19Å; L161-V167 HydrophobicContact CD2-CG2 4.45Å; L161-V167 PolarHBondContact O-N 3.13Å; V162-V167 WeakPolarHBondContact CA-O 3.32Å; V162-V167 WeakPolarHBondContact CG2-O 3.33Å
168N97.7Very high94.5Very high2 Ų228.9 Ų28.91%0.01114%0.141CC..  trans-117.721.6-179.769.61.2000113.7A199 V200 F398 A477 L478N168-A199 CarbonylContact O-C 3.33Å; N168-A199 WeakPolarHBondContact O-CA 3.33Å; N168-A199 WeakPolarHBondContact O-CB 3.35Å; N168-V200 PolarHBondContact O-N 2.88Å; N168-F398 PolarHBondContact ND2-O 3.44Å; N168-A477 HydrophobicContact CB-CB 4.25Å; N168-A477 WeakPolarHBondContact CB-O 3.21Å; N168-A477 VanDerWaalsContact CG-CB 3.42Å; N168-A477 WeakPolarHBondContact ND2-CB 3.19Å; N168-A477 WeakPolarHBondContact OD1-CB 3.31Å; N168-L478 PolarHBondContact ND2-O 2.82Å
169S98.5Very high93.6Very high1 Ų135 Ų351%0.00717%0.174CC..EExtended strand (participates in β ladder)trans-154.1135.5-173.833.80000113H144 F145 V200H144-S169 PolarHBondContact CE1-OG 3.35Å; H144-S169 VanDerWaalsContact CE1-OG 3.22Å; H144-S169 VanDerWaalsContact ND1-CB 3.29Å; H144-S169 WeakPolarHBondContact ND1-CB 3.22Å; H144-S169 PolarHBondContact ND1-OG 3.37Å; F145-S169 PolarHBondContact N-O 3.47Å; S169-V200 VanDerWaalsContact CA-O 3.25Å; S169-V200 WeakPolarHBondContact CA-O 3.44Å
170F98.6Very high93.1Very high0 Ų032.8 Ų32.80%016%0.164CC..EExtended strand (participates in β ladder)trans-128147-178.8-61-78.8000109.6F145 L147 M158 L161 V162 A199 V200 Q202F145-F170 HydrophobicContact CB-CD1 3.93Å; F145-F170 HydrophobicContact CB-CE1 4.22Å; F145-F170 CarbonylContact O-C 3.5Å; F145-F170 VanDerWaalsContact O-CA 3.3Å; F145-F170 WeakPolarHBondContact O-CA 3.26Å; L147-F170 HydrophobicContact CD1-CB 3.87Å; L147-F170 HydrophobicContact CD1-CD1 3.9Å; L147-F170 HydrophobicContact CD1-CG 3.99Å; L147-F170 HydrophobicContact CD2-CD1 4.28Å; L147-F170 HydrophobicContact CG-CB 4.29Å; L147-F170 HydrophobicContact CG-CD1 4.15Å; M158-F170 HydrophobicContact CB-CE1 4.2Å; M158-F170 HydrophobicContact CB-CE2 4.23Å; M158-F170 HydrophobicContact CB-CZ 3.73Å; M158-F170 HydrophobicContact CE-CD2 3.77Å; M158-F170 HydrophobicContact CE-CE2 3.89Å; M158-F170 HydrophobicContact CE-CG 4.1Å; M158-F170 HydrophobicContact CE-CZ 4.32Å; M158-F170 HydrophobicContact CG-CD1 4.33Å; M158-F170 HydrophobicContact CG-CE1 3.83Å; M158-F170 HydrophobicContact CG-CE2 4.35Å; M158-F170 HydrophobicContact CG-CZ 3.84Å; L161-F170 HydrophobicContact CB-CZ 4.47Å; L161-F170 HydrophobicContact CD1-CE1 4.01Å; V162-F170 HydrophobicContact CG2-CE2 3.72Å; V162-F170 HydrophobicContact CG2-CZ 3.88Å; F170-A199 HydrophobicContact CD2-CB 3.86Å; F170-A199 HydrophobicContact CE2-CB 3.79Å; F170-V200 PolarHBondContact N-O 3.04Å; F170-Q202 PolarHBondContact O-N 2.96Å
171R97.8Very high93Very high7 Ų732.2 Ų32.23%0.02616%0.16CC..EExtended strand (participates in β ladder)trans-119.8136.9-176.1-176.7176-60.7-162.3-7.1110.9H80 F145 I146 L147 F173 Q202 L259H80-R171 PolarHBondContact CD2-NH1 3.15Å; H80-R171 VanDerWaalsContact CD2-NH1 3.28Å; H80-R171 PolarHBondContact CE1-NH1 2.73Å; H80-R171 PolarHBondContact NE2-NH1 3.39Å; F145-R171 PolarHBondContact O-N 3.47Å; I146-R171 CarbonylContact C-O 3.56Å; I146-R171 VanDerWaalsContact CA-O 3.26Å; I146-R171 WeakPolarHBondContact CA-O 3.46Å; I146-R171 HydrophobicContact CG1-CB 4.12Å; I146-R171 HydrophobicContact CG1-CG 4.37Å; L147-R171 PolarHBondContact N-O 3.46Å; R171-F173 HydrophobicContact CG-CE2 3.98Å; R171-F173 HydrophobicContact CG-CZ 4.44Å; R171-Q202 CarbonylContact C-O 3.03Å; R171-Q202 WeakPolarHBondContact CA-O 3.35Å; R171-Q202 HydrophobicContact CB-CB 4.13Å; R171-Q202 HydrophobicContact CG-CB 4.18Å; R171-L259 VanDerWaalsContact CD-CD1 3.44Å; R171-L259 HydrophobicContact CG-CD1 3.69Å; R171-L259 VanDerWaalsContact NE-CD1 3.29Å
172V97.8Very high92.9Very high0 Ų032.3 Ų32.30%016%0.161CC..EExtended strand (participates in β ladder)trans-125.4153.3174.1-63.30000110.4L147 V182 F187 I190 L201 Q202 V203 H204L147-V172 HydrophobicContact CB-CG1 4.29Å; V172-V182 HydrophobicContact CB-CG2 4.1Å; V172-V182 HydrophobicContact CG1-CG2 4.35Å; V172-F187 HydrophobicContact CG2-CD2 3.6Å; V172-F187 HydrophobicContact CG2-CE2 3.59Å; V172-I190 HydrophobicContact CG1-CD1 3.83Å; V172-I190 HydrophobicContact CG1-CG2 4Å; V172-L201 HydrophobicContact CG1-CD1 3.99Å; V172-L201 HydrophobicContact CG2-CD1 3.91Å; V172-Q202 PolarHBondContact N-O 2.86Å; V172-V203 HydrophobicContact CG2-CB 4.12Å; V172-V203 HydrophobicContact CG2-CG2 4.12Å; V172-V203 WeakPolarHBondContact O-CA 3.25Å; V172-H204 PolarHBondContact O-N 3.22Å
173F97.4Very high92.7Very high14 Ų1435.8 Ų35.86%0.06118%0.18CC..EExtended strand (participates in β ladder)trans-113.9123.7178.3-70.4-101.9000109.5I146 R171 S175 M180 V182 H204I146-F173 HydrophobicContact CB-CE2 4.35Å; I146-F173 HydrophobicContact CD1-CE2 3.5Å; I146-F173 HydrophobicContact CD1-CZ 3.91Å; I146-F173 HydrophobicContact CG1-CE2 3.79Å; I146-F173 HydrophobicContact CG2-CD2 3.8Å; I146-F173 HydrophobicContact CG2-CE2 3.63Å; R171-F173 HydrophobicContact CG-CE2 3.98Å; R171-F173 HydrophobicContact CG-CZ 4.44Å; F173-S175 VanDerWaalsContact C-N 3.3Å; F173-M180 HydrophobicContact CB-CB 4.35Å; F173-M180 HydrophobicContact CD1-CE 4.25Å; F173-M180 HydrophobicContact CD2-CB 4.38Å; F173-M180 HydrophobicContact CD2-CE 3.88Å; F173-M180 HydrophobicContact CE1-CE 4.14Å; F173-M180 HydrophobicContact CE2-CE 3.77Å; F173-M180 HydrophobicContact CG-CB 4.48Å; F173-M180 HydrophobicContact CG-CE 4.14Å; F173-M180 HydrophobicContact CZ-CE 3.9Å; F173-V182 PolarHBondContact O-N 3.28Å; F173-H204 HydrophobicContact CB-CB 4.49Å; F173-H204 HydrophobicContact CD1-CB 3.38Å; F173-H204 AromaticContact CD1-CG 3.59Å; F173-H204 AromaticContact CD1-ND1 3.74Å; F173-H204 HydrophobicContact CE1-CB 3.67Å; F173-H204 AromaticContact CE1-CG 3.8Å; F173-H204 AromaticContact CE1-ND1 3.51Å; F173-H204 HydrophobicContact CG-CB 4.02Å; F173-H204 HydrophobicContact CZ-CB 4.5Å
174L97.4Very high92.7Very high0 Ų032.3 Ų32.30%017%0.167CC..SBendtrans-88.8-5.8164.8-61.8-175.9000111.7L181 F187 V203 H204 E206 G208 A241 A245L174-L181 WeakPolarHBondContact O-CD1 3.45Å; L174-F187 HydrophobicContact CD2-CD2 3.94Å; L174-V203 HydrophobicContact CD1-CG2 3.98Å; L174-V203 HydrophobicContact CG-CG2 3.85Å; L174-H204 PolarHBondContact N-O 3.4Å; L174-E206 CarbonylContact C-O 3.54Å; L174-G208 WeakPolarHBondContact O-CA 3.29Å; L174-G208 PolarHBondContact O-N 2.99Å; L174-A241 HydrophobicContact CB-CB 4.41Å; L174-A241 HydrophobicContact CD1-CB 4.3Å; L174-A245 HydrophobicContact CD1-CB 3.82Å
175S91Very high92.7Very high3 Ų327.8 Ų27.82%0.02116%0.157CC..SBendtrans-86.1161.8171.869.20000111.4F173 T177 L181 H204 E206F173-S175 VanDerWaalsContact C-N 3.3Å; S175-T177 PolarHBondContact O-N 3.03Å; S175-T177 PolarHBondContact OG-OG1 2.98Å; S175-L181 WeakPolarHBondContact O-CA 3.5Å; S175-H204 PolarHBondContact OG-CD2 2.72Å; S175-E206 PolarHBondContact N-O 3.38Å
176N79.7Confident92.7Very high35 Ų3526.9 Ų26.919%0.18716%0.155CC..  trans-8725.5175.1-159.667.6000112.9N178 D179N176-N178 PolarHBondContact O-N 2.94Å; N176-D179 PolarHBondContact O-N 3.45Å
177T72.9Confident92.8Very high24 Ų2426.5 Ų26.515%0.14715%0.151CC..G310 helixtrans-63.3120.5-178.9-54.60000109.7F88 S175 D179 M180F88-T177 HydrophobicContact CE1-CG2 4.09Å; F88-T177 HydrophobicContact CZ-CG2 3.72Å; S175-T177 PolarHBondContact O-N 3.03Å; S175-T177 PolarHBondContact OG-OG1 2.98Å; T177-D179 PolarHBondContact O-N 2.51Å; T177-M180 HydrophobicContact CG2-CE 4.3Å; T177-M180 VanDerWaalsContact O-CB 3.29Å; T177-M180 WeakPolarHBondContact O-CB 3.46Å; T177-M180 WeakPolarHBondContact O-CE 3.45Å; T177-M180 WeakPolarHBondContact O-CG 3.37Å; T177-M180 PolarHBondContact O-N 2.92Å
178N73.8Confident92.8Very high55 Ų5529.5 Ų29.529%0.29416%0.164SC..G310 helixtrans51.734.5-178.5-66-36.4000115F88 N176 M180F88-N178 VanDerWaalsContact CA-OD1 3.29Å; F88-N178 WeakPolarHBondContact CA-OD1 3.47Å; F88-N178 WeakPolarHBondContact CD1-OD1 3.29Å; F88-N178 VanDerWaalsContact CE1-OD1 3.27Å; F88-N178 WeakPolarHBondContact CE1-OD1 3.37Å; F88-N178 VanDerWaalsContact CG-OD1 3.26Å; F88-N178 WeakPolarHBondContact CG-OD1 3.34Å; F88-N178 PolarHBondContact N-ND2 3.46Å; F88-N178 PolarHBondContact N-OD1 3.24Å; N176-N178 PolarHBondContact O-N 2.94Å; N178-M180 HydrophobicContact CB-CE 4.15Å; N178-M180 HydrophobicContact CB-CG 4.14Å; N178-M180 HydrophobicContact CB-SD 4.39Å; N178-M180 PolarHBondContact O-N 2.81Å; N178-M180 VanDerWaalsContact O-N 3.16Å
179D80.3Confident92.8Very high129 Ų12932.3 Ų32.369%0.6918%0.177SC*.G310 helixtrans56.925.9-176.2-61.2-42.6000113.8N176 T177 L181N176-D179 PolarHBondContact O-N 3.45Å; T177-D179 PolarHBondContact O-N 2.51Å; D179-L181 VanDerWaalsContact C-N 3.3Å; D179-L181 PolarHBondContact O-N 2.9Å
180M88.8Confident92.8Very high14 Ų1432.3 Ų32.37%0.06918%0.177CC..  trans-90.516.4179.6-56.8-174.7-62.500113.6P117 I146 F148 F173 T177 N178 V182P117-M180 HydrophobicContact CG-SD 4.29Å; I146-M180 HydrophobicContact CG2-SD 3.99Å; F148-M180 HydrophobicContact CB-CB 4.19Å; F173-M180 HydrophobicContact CB-CB 4.35Å; F173-M180 HydrophobicContact CD1-CE 4.25Å; F173-M180 HydrophobicContact CD2-CB 4.38Å; F173-M180 HydrophobicContact CD2-CE 3.88Å; F173-M180 HydrophobicContact CE1-CE 4.14Å; F173-M180 HydrophobicContact CE2-CE 3.77Å; F173-M180 HydrophobicContact CG-CB 4.48Å; F173-M180 HydrophobicContact CG-CE 4.14Å; F173-M180 HydrophobicContact CZ-CE 3.9Å; T177-M180 HydrophobicContact CG2-CE 4.3Å; T177-M180 VanDerWaalsContact O-CB 3.29Å; T177-M180 WeakPolarHBondContact O-CB 3.46Å; T177-M180 WeakPolarHBondContact O-CE 3.45Å; T177-M180 WeakPolarHBondContact O-CG 3.37Å; T177-M180 PolarHBondContact O-N 2.92Å; N178-M180 HydrophobicContact CB-CE 4.15Å; N178-M180 HydrophobicContact CB-CG 4.14Å; N178-M180 HydrophobicContact CB-SD 4.39Å; N178-M180 PolarHBondContact O-N 2.81Å; N178-M180 VanDerWaalsContact O-N 3.16Å; M180-V182 PolarHBondContact O-N 2.86Å; M180-V182 VanDerWaalsContact O-N 3.14Å
181L94.5Very high92.8Very high47 Ų4732.3 Ų32.325%0.24618%0.177CC..BIsolated β-bridgetrans-63.6113.4-177.617662.2000110.8L174 S175 D179 K209L174-L181 WeakPolarHBondContact O-CD1 3.45Å; S175-L181 WeakPolarHBondContact O-CA 3.5Å; D179-L181 VanDerWaalsContact C-N 3.3Å; D179-L181 PolarHBondContact O-N 2.9Å; L181-K209 HydrophobicContact CD2-CG 3.89Å
182V96.4Very high92.8Very high2 Ų235.3 Ų35.31%0.01219%0.19CC..  trans-84.5134.7173.4-177.20000109.4L147 V172 F173 M180 D186 F187 I190L147-V182 WeakPolarHBondContact O-CG2 3.41Å; V172-V182 HydrophobicContact CB-CG2 4.1Å; V172-V182 HydrophobicContact CG1-CG2 4.35Å; F173-V182 PolarHBondContact O-N 3.28Å; M180-V182 PolarHBondContact O-N 2.86Å; M180-V182 VanDerWaalsContact O-N 3.14Å; V182-D186 HydrophobicContact CG1-CB 3.67Å; V182-F187 HydrophobicContact CG1-CB 4.07Å; V182-I190 HydrophobicContact CG1-CD1 4.35Å
183D95.8Very high92.9Very high79 Ų7937.2 Ų37.242%0.42220%0.197SC..  trans-78.5162.2171.173.485.4000112.1G185 D186 F187D183-G185 PolarHBondContact O-N 2.92Å; D183-G185 VanDerWaalsContact OD1-CA 3.31Å; D183-G185 WeakPolarHBondContact OD1-CA 3.31Å; D183-G185 PolarHBondContact OD1-N 3.22Å; D183-D186 PolarHBondContact O-N 3.48Å; D183-D186 PolarHBondContact OD1-N 3.07Å; D183-D186 VanDerWaalsContact OD1-N 3.15Å; D183-F187 WeakPolarHBondContact O-CB 3.35Å; D183-F187 PolarHBondContact O-N 3.32Å
184D97.9Very high92.9Very high67 Ų6736.5 Ų36.536%0.35819%0.194SC..Hα-helixtrans-62.7-27.2-174.2-64.2-22.3000113.2F188 R244 L248D184-F188 WeakPolarHBondContact O-CB 3.47Å; D184-F188 PolarHBondContact O-N 3.33Å; D184-F188 VanDerWaalsContact O-N 3.07Å; D184-R244 IonicContact OD1-CZ 3.53Å; D184-R244 IonicContact OD1-NH1 3.73Å; D184-R244 PolarHBondContact OD1-NH1 3.31Å; D184-L248 HydrophobicContact CB-CD1 3.88Å; D184-L248 HydrophobicContact CB-CD2 4.32Å
185G97.8Very high92.9Very high40 Ų4039.8 Ų39.841%0.41221%0.209SC..Hα-helixtrans-71.6-50.3177.300000111.9D183 F187 F188 E189D183-G185 PolarHBondContact O-N 2.92Å; D183-G185 VanDerWaalsContact OD1-CA 3.31Å; D183-G185 WeakPolarHBondContact OD1-CA 3.31Å; D183-G185 PolarHBondContact OD1-N 3.22Å; G185-F187 VanDerWaalsContact C-N 3.34Å; G185-F187 PolarHBondContact O-N 2.87Å; G185-F188 PolarHBondContact O-N 2.93Å; G185-E189 PolarHBondContact O-N 3.2Å; G185-E189 VanDerWaalsContact O-N 3.07Å
186D97.6Very high93.2Very high37 Ų3744.8 Ų44.820%0.19824%0.235CC..Hα-helixtrans-62.6-40.7174.7-85.23.8000111.6Q149 Y150 V182 D183 F188 E189 I190Q149-D186 WeakPolarHBondContact CA-OD2 3.43Å; Y150-D186 VanDerWaalsContact N-CG 3.3Å; Y150-D186 PolarHBondContact N-OD2 3.13Å; V182-D186 HydrophobicContact CG1-CB 3.67Å; D183-D186 PolarHBondContact O-N 3.48Å; D183-D186 PolarHBondContact OD1-N 3.07Å; D183-D186 VanDerWaalsContact OD1-N 3.15Å; D186-F188 VanDerWaalsContact C-N 3.31Å; D186-F188 PolarHBondContact O-N 2.95Å; D186-E189 PolarHBondContact O-N 2.98Å; D186-I190 WeakPolarHBondContact O-CB 3.36Å; D186-I190 WeakPolarHBondContact O-CD1 3.32Å; D186-I190 WeakPolarHBondContact O-CG1 3.25Å; D186-I190 PolarHBondContact O-N 2.76Å
187F98.5Very high94.1Very high0 Ų043.5 Ų43.50%023%0.228CC..Hα-helixtrans-55.5-47.6173.4179.5-78.1000111V172 L174 V182 D183 G185 I190 A191 L201 V203 A245 L248 A249 L256V172-F187 HydrophobicContact CG2-CD2 3.6Å; V172-F187 HydrophobicContact CG2-CE2 3.59Å; L174-F187 HydrophobicContact CD2-CD2 3.94Å; V182-F187 HydrophobicContact CG1-CB 4.07Å; D183-F187 WeakPolarHBondContact O-CB 3.35Å; D183-F187 PolarHBondContact O-N 3.32Å; G185-F187 VanDerWaalsContact C-N 3.34Å; G185-F187 PolarHBondContact O-N 2.87Å; F187-I190 PolarHBondContact O-N 3.47Å; F187-A191 HydrophobicContact CE1-CB 4.43Å; F187-A191 WeakPolarHBondContact O-CB 3.38Å; F187-A191 PolarHBondContact O-N 2.94Å; F187-L201 HydrophobicContact CE1-CD2 4.3Å; F187-L201 HydrophobicContact CE2-CD2 4.23Å; F187-L201 HydrophobicContact CZ-CD2 3.92Å; F187-V203 HydrophobicContact CE2-CB 4.27Å; F187-V203 HydrophobicContact CE2-CG2 3.98Å; F187-A245 HydrophobicContact CE2-CB 4.29Å; F187-A245 HydrophobicContact CZ-CB 4.04Å; F187-L248 HydrophobicContact CB-CD1 4.46Å; F187-L248 HydrophobicContact CD1-CB 3.53Å; F187-L248 HydrophobicContact CD1-CD1 3.69Å; F187-L248 HydrophobicContact CD1-CG 4.24Å; F187-L248 HydrophobicContact CE1-CB 3.45Å; F187-L248 VanDerWaalsContact CE1-CB 3.45Å; F187-L248 HydrophobicContact CE1-CD1 4.19Å; F187-L248 HydrophobicContact CE1-CG 4.48Å; F187-L248 HydrophobicContact CG-CD1 4.13Å; F187-A249 HydrophobicContact CE1-CB 4.36Å; F187-L256 HydrophobicContact CZ-CD1 4.09Å
188F98.6Very high95.3Very high63 Ų6342.4 Ų42.428%0.27622%0.222SC..Hα-helixtrans-64.3-42-177.8-177.4-101000112.4D184 G185 D186 A191 K192 A251 A252D184-F188 WeakPolarHBondContact O-CB 3.47Å; D184-F188 PolarHBondContact O-N 3.33Å; D184-F188 VanDerWaalsContact O-N 3.07Å; G185-F188 PolarHBondContact O-N 2.93Å; D186-F188 VanDerWaalsContact C-N 3.31Å; D186-F188 PolarHBondContact O-N 2.95Å; F188-A191 PolarHBondContact O-N 3.49Å; F188-K192 HydrophobicContact CD1-CD 3.83Å; F188-K192 HydrophobicContact CE1-CD 3.4Å; F188-K192 VanDerWaalsContact CE1-CD 3.4Å; F188-K192 HydrophobicContact CE1-CG 4.34Å; F188-K192 HydrophobicContact CZ-CD 3.93Å; F188-K192 PolarHBondContact O-N 2.89Å; F188-A251 HydrophobicContact CE2-CB 3.92Å; F188-A252 HydrophobicContact CD2-CB 4.05Å; F188-A252 HydrophobicContact CE2-CB 3.88Å
189E98.6Very high96.5Very high62 Ų6239.8 Ų39.829%0.2921%0.208SC..Hα-helixtrans-70.1-38176.7-69.4-58.6144.500112.6Y150 G185 D186 A191 K192 R193Y150-E189 HydrophobicContact CD1-CB 3.45Å; Y150-E189 VanDerWaalsContact CD1-CB 3.45Å; Y150-E189 HydrophobicContact CD1-CG 4.15Å; Y150-E189 HydrophobicContact CD2-CB 4.17Å; Y150-E189 HydrophobicContact CE1-CB 3.58Å; Y150-E189 HydrophobicContact CE1-CG 4.2Å; Y150-E189 HydrophobicContact CE2-CB 4.28Å; Y150-E189 HydrophobicContact CG-CB 3.76Å; G185-E189 PolarHBondContact O-N 3.2Å; G185-E189 VanDerWaalsContact O-N 3.07Å; D186-E189 PolarHBondContact O-N 2.98Å; E189-A191 VanDerWaalsContact C-N 3.33Å; E189-A191 PolarHBondContact O-N 2.55Å; E189-K192 PolarHBondContact O-N 2.78Å; E189-K192 IonicContact OE1-NZ 2.67Å; E189-K192 PolarHBondContact OE1-NZ 2.89Å; E189-K192 IonicContact OE2-NZ 2.72Å; E189-K192 PolarHBondContact OE2-NZ 3.32Å; E189-R193 WeakPolarHBondContact O-CB 3.24Å; E189-R193 PolarHBondContact O-N 2.87Å
190I98.6Very high97.3Very high0 Ų033.9 Ų33.90%018%0.176CC..Hα-helixtrans-60.6-43.9171-69.4164.6000110.5L147 Y150 M158 V172 V182 D186 F187 R193 C194 L201L147-I190 HydrophobicContact CB-CD1 4.03Å; L147-I190 HydrophobicContact CD1-CD1 4.4Å; L147-I190 HydrophobicContact CD1-CG1 4.33Å; L147-I190 HydrophobicContact CD1-CG2 3.91Å; Y150-I190 HydrophobicContact CD2-CG1 3.68Å; Y150-I190 HydrophobicContact CG-CG1 4.26Å; M158-I190 HydrophobicContact CE-CG2 4.46Å; V172-I190 HydrophobicContact CG1-CD1 3.83Å; V172-I190 HydrophobicContact CG1-CG2 4Å; V182-I190 HydrophobicContact CG1-CD1 4.35Å; D186-I190 WeakPolarHBondContact O-CB 3.36Å; D186-I190 WeakPolarHBondContact O-CD1 3.32Å; D186-I190 WeakPolarHBondContact O-CG1 3.25Å; D186-I190 PolarHBondContact O-N 2.76Å; F187-I190 PolarHBondContact O-N 3.47Å; I190-R193 PolarHBondContact O-N 2.85Å; I190-C194 WeakPolarHBondContact O-CB 3.38Å; I190-C194 PolarHBondContact O-N 3.12Å; I190-C194 PolarHBondContact O-SG 3.33Å; I190-L201 HydrophobicContact CG2-CD1 3.83Å
191A98.6Very high97.8Very high0 Ų033.2 Ų33.20%017%0.173CC..Hα-helixtrans-61.7-45.7178.200000111.9F187 F188 E189 R193 C194 K195 L201 A252 C254F187-A191 HydrophobicContact CE1-CB 4.43Å; F187-A191 WeakPolarHBondContact O-CB 3.38Å; F187-A191 PolarHBondContact O-N 2.94Å; F188-A191 PolarHBondContact O-N 3.49Å; E189-A191 VanDerWaalsContact C-N 3.33Å; E189-A191 PolarHBondContact O-N 2.55Å; A191-R193 VanDerWaalsContact C-N 3.32Å; A191-R193 PolarHBondContact O-N 2.89Å; A191-C194 PolarHBondContact O-N 2.81Å; A191-K195 PolarHBondContact O-N 2.69Å; A191-L201 HydrophobicContact CB-CD2 3.67Å; A191-A252 HydrophobicContact CB-CB 3.72Å; A191-C254 HydrophobicContact CB-CB 3.9Å; A191-C254 WeakPolarHBondContact O-CB 3.18Å; A191-C254 PolarHBondContact O-SG 3.49Å
192K97.9Very high98Very high71 Ų7131 Ų3131%0.30916%0.161SC..Hα-helixtrans-58-45.7173.1-76.6168.359.8-149.70111.5F188 E189 C194 K195 D196 A252F188-K192 HydrophobicContact CD1-CD 3.83Å; F188-K192 HydrophobicContact CE1-CD 3.4Å; F188-K192 VanDerWaalsContact CE1-CD 3.4Å; F188-K192 HydrophobicContact CE1-CG 4.34Å; F188-K192 HydrophobicContact CZ-CD 3.93Å; F188-K192 PolarHBondContact O-N 2.89Å; E189-K192 PolarHBondContact O-N 2.78Å; E189-K192 IonicContact OE1-NZ 2.67Å; E189-K192 PolarHBondContact OE1-NZ 2.89Å; E189-K192 IonicContact OE2-NZ 2.72Å; E189-K192 PolarHBondContact OE2-NZ 3.32Å; K192-C194 PolarHBondContact O-N 3.48Å; K192-K195 WeakPolarHBondContact O-CB 3.4Å; K192-K195 PolarHBondContact O-N 3.15Å; K192-D196 PolarHBondContact O-N 3.06Å; K192-A252 HydrophobicContact CG-CB 3.95Å
193R98.4Very high98.1Very high39 Ų3930.9 Ų30.915%0.14716%0.16CC..Hα-helixtrans-64.6-41.6179.7-172.752.9166170.8-7.8112.5Y150 S155 M158 E159 E189 I190 A191 D196 L197Y150-R193 HydrophobicContact CE2-CB 4.07Å; Y150-R193 HydrophobicContact CE2-CG 4.42Å; S155-R193 PolarHBondContact O-NE 3.37Å; S155-R193 PolarHBondContact O-NH2 3.44Å; S155-R193 WeakPolarHBondContact OG-CD 3.4Å; S155-R193 PolarHBondContact OG-NE 3.34Å; M158-R193 HydrophobicContact CE-CB 4.03Å; M158-R193 HydrophobicContact CE-CG 3.69Å; M158-R193 HydrophobicContact SD-CB 4.46Å; M158-R193 HydrophobicContact SD-CG 3.85Å; E159-R193 VanDerWaalsContact CB-NH2 3.26Å; E159-R193 IonicContact OE2-CZ 3.85Å; E159-R193 IonicContact OE2-NH1 3.75Å; E159-R193 IonicContact OE2-NH2 2.55Å; E159-R193 PolarHBondContact OE2-NH2 3.33Å; E189-R193 WeakPolarHBondContact O-CB 3.24Å; E189-R193 PolarHBondContact O-N 2.87Å; I190-R193 PolarHBondContact O-N 2.85Å; A191-R193 VanDerWaalsContact C-N 3.32Å; A191-R193 PolarHBondContact O-N 2.89Å; R193-D196 PolarHBondContact O-N 2.94Å; R193-L197 HydrophobicContact CG-CD1 3.91Å; R193-L197 HydrophobicContact CG-CG 4.45Å; R193-L197 WeakPolarHBondContact O-CB 3.36Å; R193-L197 VanDerWaalsContact O-CG 3.29Å; R193-L197 WeakPolarHBondContact O-CG 3.39Å; R193-L197 PolarHBondContact O-N 2.87Å
194C98.5Very high98.2Very high0 Ų027.3 Ų27.30%014%0.141CC..Hα-helixtrans-60.1-45.9175.5-70.40000111.3I190 A191 K192 D196 L197 G198 A199 L201I190-C194 WeakPolarHBondContact O-CB 3.38Å; I190-C194 PolarHBondContact O-N 3.12Å; I190-C194 PolarHBondContact O-SG 3.33Å; A191-C194 PolarHBondContact O-N 2.81Å; K192-C194 PolarHBondContact O-N 3.48Å; C194-D196 PolarHBondContact O-N 2.98Å; C194-L197 PolarHBondContact O-N 2.99Å; C194-G198 PolarHBondContact O-N 3.48Å; C194-A199 HydrophobicContact CB-CB 4.42Å; C194-A199 PolarHBondContact O-N 3.24Å; C194-L201 HydrophobicContact CB-CB 4.25Å
195K97.4Very high98.2Very high69 Ų6924.3 Ų24.330%0.313%0.126SC..Hα-helixtrans-56.7-48.9174.8175.7-162-177.9-177.30112.3A191 K192 L197 G198 A252 G253 C254A191-K195 PolarHBondContact O-N 2.69Å; K192-K195 WeakPolarHBondContact O-CB 3.4Å; K192-K195 PolarHBondContact O-N 3.15Å; K195-L197 VanDerWaalsContact C-N 3.29Å; K195-L197 PolarHBondContact O-N 3.48Å; K195-G198 PolarHBondContact O-N 2.93Å; K195-A252 WeakPolarHBondContact CD-O 3.37Å; K195-A252 PolarHBondContact NZ-O 2.93Å; K195-A252 VanDerWaalsContact NZ-O 3.12Å; K195-G253 WeakPolarHBondContact CD-O 3.27Å; K195-G253 WeakPolarHBondContact CE-O 3.33Å; K195-C254 HydrophobicContact CB-CB 4.18Å
196D97.4Very high98.2Very high107 Ų10722.4 Ų22.457%0.57211%0.106SC*.Hα-helixtrans-65.4-33.6-177.9-69.5-15.9000112.4K192 R193 C194K192-D196 PolarHBondContact O-N 3.06Å; R193-D196 PolarHBondContact O-N 2.94Å; C194-D196 PolarHBondContact O-N 2.98Å
197L98.2Very high98.2Very high9 Ų922.2 Ų22.25%0.04711%0.105CC..Hα-helixtrans-83.3-11.6177-66.3176.4000113.5M158 E159 V162 R193 C194 K195 A199 P479M158-L197 HydrophobicContact CB-CD1 3.82Å; E159-L197 HydrophobicContact CB-CD1 4.41Å; E159-L197 HydrophobicContact CB-CD2 3.83Å; E159-L197 HydrophobicContact CG-CD2 4.02Å; V162-L197 HydrophobicContact CG1-CB 4.29Å; V162-L197 HydrophobicContact CG2-CB 4.19Å; V162-L197 HydrophobicContact CG2-CD1 4.13Å; R193-L197 HydrophobicContact CG-CD1 3.91Å; R193-L197 HydrophobicContact CG-CG 4.45Å; R193-L197 WeakPolarHBondContact O-CB 3.36Å; R193-L197 VanDerWaalsContact O-CG 3.29Å; R193-L197 WeakPolarHBondContact O-CG 3.39Å; R193-L197 PolarHBondContact O-N 2.87Å; C194-L197 PolarHBondContact O-N 2.99Å; K195-L197 VanDerWaalsContact C-N 3.29Å; K195-L197 PolarHBondContact O-N 3.48Å; L197-A199 VanDerWaalsContact C-N 3.34Å; L197-P479 VanDerWaalsContact O-CB 3.23Å; L197-P479 WeakPolarHBondContact O-CB 3.33Å
198G97.8Very high98.1Very high1 Ų122.2 Ų22.21%0.0111%0.105CC..THydrogen-bonded Turntrans71.328.3-172.700000113.3C194 K195 P479 F480 F485C194-G198 PolarHBondContact O-N 3.48Å; K195-G198 PolarHBondContact O-N 2.93Å; G198-P479 WeakPolarHBondContact O-CA 3.48Å; G198-F480 VanDerWaalsContact CA-CE1 3.46Å; G198-F480 PolarHBondContact O-N 2.77Å; G198-F485 VanDerWaalsContact C-CZ 3.4Å; G198-F485 WeakPolarHBondContact O-CE2 3.28Å
199A98.5Very high98Very high0 Ų025.9 Ų25.90%012%0.121CC..PPolyproline II helixtrans-98.8146.8178.900000111.8V162 N168 F170 C194 L197 F485V162-A199 HydrophobicContact CG2-CB 4.22Å; N168-A199 CarbonylContact O-C 3.33Å; N168-A199 WeakPolarHBondContact O-CA 3.33Å; N168-A199 WeakPolarHBondContact O-CB 3.35Å; F170-A199 HydrophobicContact CD2-CB 3.86Å; F170-A199 HydrophobicContact CE2-CB 3.79Å; C194-A199 HydrophobicContact CB-CB 4.42Å; C194-A199 PolarHBondContact O-N 3.24Å; L197-A199 VanDerWaalsContact C-N 3.34Å; A199-F485 WeakPolarHBondContact O-CZ 3.46Å
200V98.2Very high97.9Very high4 Ų425.9 Ų25.92%0.02412%0.123CC..EExtended strand (participates in β ladder)trans-79.1123.8175.5179.80000109.6N168 S169 F170 V397 F398 I484N168-V200 PolarHBondContact O-N 2.88Å; S169-V200 VanDerWaalsContact CA-O 3.25Å; S169-V200 WeakPolarHBondContact CA-O 3.44Å; F170-V200 PolarHBondContact N-O 3.04Å; V200-V397 HydrophobicContact CG1-CG1 4.46Å; V200-V397 HydrophobicContact CG2-CG1 4.41Å; V200-F398 HydrophobicContact CB-CE1 4.4Å; V200-F398 HydrophobicContact CG1-CE1 4.25Å; V200-I484 HydrophobicContact CG2-CG1 4.37Å
201L98.7Very high97.8Very high0 Ų026.1 Ų26.10%012%0.124CC..EExtended strand (participates in β ladder)trans-86.9117.5170.3179.459.8000109.9V172 F187 I190 A191 C194 L256 Y257V172-L201 HydrophobicContact CG1-CD1 3.99Å; V172-L201 HydrophobicContact CG2-CD1 3.91Å; F187-L201 HydrophobicContact CE1-CD2 4.3Å; F187-L201 HydrophobicContact CE2-CD2 4.23Å; F187-L201 HydrophobicContact CZ-CD2 3.92Å; I190-L201 HydrophobicContact CG2-CD1 3.83Å; A191-L201 HydrophobicContact CB-CD2 3.67Å; C194-L201 HydrophobicContact CB-CB 4.25Å; L201-L256 HydrophobicContact CB-CD1 4.44Å; L201-L256 HydrophobicContact CD2-CD1 4.11Å; L201-L256 HydrophobicContact CG-CD1 4.08Å; L201-Y257 PolarHBondContact O-N 3.44Å
202Q98.8Very high97.6Very high0 Ų031.2 Ų31.20%015%0.147CC..EExtended strand (participates in β ladder)trans-95.4143.1171-59.2179-47.100110.5H144 F170 R171 V172 Y257 L259H144-Q202 PolarHBondContact CD2-OE1 3.16Å; H144-Q202 PolarHBondContact CE1-NE2 2.92Å; H144-Q202 VanDerWaalsContact CG-OE1 3.31Å; H144-Q202 PolarHBondContact NE2-NE2 3.21Å; H144-Q202 VanDerWaalsContact NE2-NE2 3.15Å; F170-Q202 PolarHBondContact O-N 2.96Å; R171-Q202 CarbonylContact C-O 3.03Å; R171-Q202 WeakPolarHBondContact CA-O 3.35Å; R171-Q202 HydrophobicContact CB-CB 4.13Å; R171-Q202 HydrophobicContact CG-CB 4.18Å; V172-Q202 PolarHBondContact N-O 2.86Å; Q202-Y257 CarbonylContact C-O 3.57Å; Q202-Y257 VanDerWaalsContact CA-O 3.28Å; Q202-Y257 WeakPolarHBondContact CA-O 3.27Å; Q202-Y257 HydrophobicContact CB-CD1 4.48Å; Q202-Y257 HydrophobicContact CG-CD1 4.01Å; Q202-Y257 HydrophobicContact CG-CG 4.18Å; Q202-L259 HydrophobicContact CB-CD1 3.94Å; Q202-L259 HydrophobicContact CB-CD2 4.24Å; Q202-L259 HydrophobicContact CB-CG 4.07Å; Q202-L259 HydrophobicContact CG-CD2 4.42Å
203V98.5Very high97.5Very high0 Ų033.3 Ų33.30%016%0.16CC..EExtended strand (participates in β ladder)trans-133.5130.9177.660.60000111.9V172 L174 F187 A205 A245 L256 Y257 I258 L259V172-V203 HydrophobicContact CG2-CB 4.12Å; V172-V203 HydrophobicContact CG2-CG2 4.12Å; V172-V203 WeakPolarHBondContact O-CA 3.25Å; L174-V203 HydrophobicContact CD1-CG2 3.98Å; L174-V203 HydrophobicContact CG-CG2 3.85Å; F187-V203 HydrophobicContact CE2-CB 4.27Å; F187-V203 HydrophobicContact CE2-CG2 3.98Å; V203-A205 HydrophobicContact CG2-CB 4.4Å; V203-A245 HydrophobicContact CG1-CB 3.99Å; V203-A245 HydrophobicContact CG2-CB 4.1Å; V203-L256 HydrophobicContact CB-CD1 4.3Å; V203-L256 HydrophobicContact CG1-CD1 3.76Å; V203-L256 HydrophobicContact CG1-CD2 4.19Å; V203-L256 HydrophobicContact CG1-CG 4.06Å; V203-Y257 PolarHBondContact N-O 3.04Å; V203-I258 HydrophobicContact CG1-CD1 3.39Å; V203-L259 WeakPolarHBondContact O-CB 3.32Å; V203-L259 PolarHBondContact O-N 3.28Å
204H97.9Very high97.5Very high5 Ų533.2 Ų33.22%0.02316%0.162CC..EExtended strand (participates in β ladder)trans-83.7106.9160.8-175.8125.3000108.1V172 F173 L174 S175 E206 Q260 S310V172-H204 PolarHBondContact O-N 3.22Å; F173-H204 HydrophobicContact CB-CB 4.49Å; F173-H204 HydrophobicContact CD1-CB 3.38Å; F173-H204 AromaticContact CD1-CG 3.59Å; F173-H204 AromaticContact CD1-ND1 3.74Å; F173-H204 HydrophobicContact CE1-CB 3.67Å; F173-H204 AromaticContact CE1-CG 3.8Å; F173-H204 AromaticContact CE1-ND1 3.51Å; F173-H204 HydrophobicContact CG-CB 4.02Å; F173-H204 HydrophobicContact CZ-CB 4.5Å; L174-H204 PolarHBondContact N-O 3.4Å; S175-H204 PolarHBondContact OG-CD2 2.72Å; H204-E206 IonicContact CD2-OE2 3.33Å; H204-E206 IonicContact CE1-OE2 3.66Å; H204-E206 IonicContact NE2-OE2 3.33Å; H204-E206 PolarHBondContact NE2-OE2 3.33Å; H204-E206 PolarHBondContact O-N 2.83Å; H204-Q260 PolarHBondContact ND1-OE1 2.67Å; H204-S310 PolarHBondContact CE1-O 2.89Å; H204-S310 PolarHBondContact CE1-OG 2.84Å; H204-S310 VanDerWaalsContact CE1-OG 3.23Å; H204-S310 PolarHBondContact NE2-OG 3.41Å; H204-S310 VanDerWaalsContact NE2-OG 3.1Å
205A98Very high97.4Very high4 Ų434.8 Ų34.83%0.03317%0.169CC..  trans-101.783.1-167.600000112.3V203 E238 A241 I258V203-A205 HydrophobicContact CG2-CB 4.4Å; A205-E238 VanDerWaalsContact O-CA 3.29Å; A205-E238 WeakPolarHBondContact O-CA 3.47Å; A205-A241 VanDerWaalsContact C-CB 3.47Å; A205-A241 HydrophobicContact CB-CB 4.25Å; A205-I258 HydrophobicContact CB-CG2 4.33Å
206E97.7Very high97.4Very high0 Ų034 Ų340%017%0.173CC..SBendtrans-134.1147164.3-66.4-176.396.700109.8L174 S175 H204 G208 H233 A237 E238 S310 P311L174-E206 CarbonylContact C-O 3.54Å; S175-E206 PolarHBondContact N-O 3.38Å; H204-E206 IonicContact CD2-OE2 3.33Å; H204-E206 IonicContact CE1-OE2 3.66Å; H204-E206 IonicContact NE2-OE2 3.33Å; H204-E206 PolarHBondContact NE2-OE2 3.33Å; H204-E206 PolarHBondContact O-N 2.83Å; E206-G208 PolarHBondContact O-N 2.78Å; E206-H233 IonicContact OE1-ND1 3.53Å; E206-A237 CarbonylContact C-O 3.56Å; E206-A237 WeakPolarHBondContact CA-O 3.34Å; E206-E238 HydrophobicContact CG-CB 4.4Å; E206-S310 PolarHBondContact OE2-OG 3.15Å; E206-P311 VanDerWaalsContact CD-CB 3.4Å; E206-P311 VanDerWaalsContact CD-CG 3.48Å; E206-P311 HydrophobicContact CG-CB 3.98Å; E206-P311 HydrophobicContact CG-CG 3.63Å; E206-P311 VanDerWaalsContact OE1-CA 3.25Å; E206-P311 WeakPolarHBondContact OE1-CA 3.34Å; E206-P311 VanDerWaalsContact OE1-CB 3.3Å; E206-P311 WeakPolarHBondContact OE1-CB 3.33Å; E206-P311 VanDerWaalsContact OE2-CA 3.23Å; E206-P311 WeakPolarHBondContact OE2-CA 3.45Å; E206-P311 VanDerWaalsContact OE2-N 3.1Å
207N97.7Very high97.4Very high32 Ų3234.3 Ų34.317%0.17117%0.169CC..  trans-73.494177.6-170.1-47.1000111.4K209 L210 V211 A237 E240N207-K209 VanDerWaalsContact C-N 3.27Å; N207-K209 PolarHBondContact O-N 3.43Å; N207-K209 PolarHBondContact OD1-N 3.03Å; N207-L210 HydrophobicContact CB-CB 4Å; N207-L210 PolarHBondContact O-N 2.9Å; N207-L210 WeakPolarHBondContact OD1-CB 3.36Å; N207-L210 PolarHBondContact OD1-N 3.24Å; N207-V211 WeakPolarHBondContact O-CG2 3.37Å; N207-V211 PolarHBondContact O-N 3.41Å; N207-A237 HydrophobicContact CB-CB 4.23Å; N207-A237 PolarHBondContact N-O 3.04Å; N207-E240 WeakPolarHBondContact CB-OE2 3.19Å; N207-E240 PolarHBondContact ND2-OE2 3.22Å
208G96.2Very high97.4Very high1 Ų135 Ų351%0.0117%0.172CC..Hα-helixtrans-60.9-30.4-176.500000114.7L174 E206 K212L174-G208 WeakPolarHBondContact O-CA 3.29Å; L174-G208 PolarHBondContact O-N 2.99Å; E206-G208 PolarHBondContact O-N 2.78Å; G208-K212 WeakPolarHBondContact O-CB 3.39Å; G208-K212 PolarHBondContact O-N 3.23Å
209K95.9Very high97.4Very high140 Ų14038.4 Ų38.461%0.60919%0.185SC*.Hα-helixtrans-70.8-44.6177.2-65.4179.6-178.9169.50111.1L181 N207 I213L181-K209 HydrophobicContact CD2-CG 3.89Å; N207-K209 VanDerWaalsContact C-N 3.27Å; N207-K209 PolarHBondContact O-N 3.43Å; N207-K209 PolarHBondContact OD1-N 3.03Å; K209-I213 WeakPolarHBondContact O-CG1 3.44Å; K209-I213 PolarHBondContact O-N 3.11Å
210L96.5Very high97.4Very high61 Ų6144.1 Ų44.132%0.31922%0.216SC..Hα-helixtrans-62.7-48.3174.9176.260.8000110.8N207 K212 I213 L214 P234 A237N207-L210 HydrophobicContact CB-CB 4Å; N207-L210 PolarHBondContact O-N 2.9Å; N207-L210 WeakPolarHBondContact OD1-CB 3.36Å; N207-L210 PolarHBondContact OD1-N 3.24Å; L210-K212 VanDerWaalsContact C-N 3.35Å; L210-K212 PolarHBondContact O-N 2.94Å; L210-I213 WeakPolarHBondContact O-CB 3.48Å; L210-I213 PolarHBondContact O-N 2.63Å; L210-L214 HydrophobicContact CD1-CD1 3.91Å; L210-L214 HydrophobicContact CD1-CG 4.05Å; L210-L214 HydrophobicContact CG-CD1 3.89Å; L210-L214 HydrophobicContact CG-CG 4.4Å; L210-L214 WeakPolarHBondContact O-CG 3.4Å; L210-L214 PolarHBondContact O-N 3.16Å; L210-P234 HydrophobicContact CD2-CG 4.48Å; L210-A237 HydrophobicContact CD2-CB 4.24Å
211V96.4Very high97.4Very high6 Ų648.6 Ų48.64%0.03624%0.24CC..Hα-helixtrans-54.9-49.6177.8167.20000110.9N207 I213 L214 E215 H233 A237N207-V211 WeakPolarHBondContact O-CG2 3.37Å; N207-V211 PolarHBondContact O-N 3.41Å; V211-I213 VanDerWaalsContact C-N 3.3Å; V211-I213 PolarHBondContact O-N 2.87Å; V211-L214 CarbonylContact O-C 3.11Å; V211-L214 PolarHBondContact O-N 2.91Å; V211-E215 HydrophobicContact CG1-CG 4Å; V211-E215 WeakPolarHBondContact O-CB 3.39Å; V211-E215 WeakPolarHBondContact O-CG 3.47Å; V211-E215 PolarHBondContact O-N 3.14Å; V211-H233 VanDerWaalsContact CG1-CE1 3.4Å; V211-H233 WeakPolarHBondContact CG1-CE1 3.44Å; V211-H233 VanDerWaalsContact CG1-NE2 3.3Å; V211-H233 WeakPolarHBondContact CG1-NE2 3.23Å; V211-A237 HydrophobicContact CG2-CB 4.17Å
212K95.4Very high97.4Very high107 Ų10751.4 Ų51.447%0.46527%0.268SS..Hα-helixtrans-57.8-39.1179.1-175.3172.7-173.4164.20113.6G208 L210 S216G208-K212 WeakPolarHBondContact O-CB 3.39Å; G208-K212 PolarHBondContact O-N 3.23Å; L210-K212 VanDerWaalsContact C-N 3.35Å; L210-K212 PolarHBondContact O-N 2.94Å; K212-S216 PolarHBondContact O-N 2.98Å; K212-S216 PolarHBondContact O-OG 2.92Å
213I96.4Very high97.3Very high114 Ų11453.6 Ų53.659%0.58528%0.28SS*.Hα-helixtrans-65.3-47.2175.7-67.4165.1000109.9K209 L210 V211 S216 K217K209-I213 WeakPolarHBondContact O-CG1 3.44Å; K209-I213 PolarHBondContact O-N 3.11Å; L210-I213 WeakPolarHBondContact O-CB 3.48Å; L210-I213 PolarHBondContact O-N 2.63Å; V211-I213 VanDerWaalsContact C-N 3.3Å; V211-I213 PolarHBondContact O-N 2.87Å; I213-S216 PolarHBondContact O-N 3.28Å; I213-K217 WeakPolarHBondContact O-CB 3.46Å; I213-K217 PolarHBondContact O-N 3.31Å
214L97.5Very high97.3Very high38 Ų3856.2 Ų56.220%0.19930%0.296CS..Hα-helixtrans-69.2-39.9-178.2-65.9176000112.3L210 V211 S216 K217 I218 S232 P234L210-L214 HydrophobicContact CD1-CD1 3.91Å; L210-L214 HydrophobicContact CD1-CG 4.05Å; L210-L214 HydrophobicContact CG-CD1 3.89Å; L210-L214 HydrophobicContact CG-CG 4.4Å; L210-L214 WeakPolarHBondContact O-CG 3.4Å; L210-L214 PolarHBondContact O-N 3.16Å; V211-L214 CarbonylContact O-C 3.11Å; V211-L214 PolarHBondContact O-N 2.91Å; L214-S216 VanDerWaalsContact C-N 3.3Å; L214-S216 PolarHBondContact O-N 2.75Å; L214-K217 PolarHBondContact O-N 3.49Å; L214-I218 VanDerWaalsContact O-CB 3.32Å; L214-I218 WeakPolarHBondContact O-CB 3.43Å; L214-I218 WeakPolarHBondContact O-CG1 3.5Å; L214-I218 PolarHBondContact O-N 3.28Å; L214-S232 WeakPolarHBondContact CB-O 3.16Å; L214-P234 VanDerWaalsContact CD1-CD 3.49Å; L214-P234 HydrophobicContact CD1-CG 3.59Å
215E96.8Very high97.3Very high33 Ų3356.6 Ų56.615%0.15430%0.301CS..Hα-helixtrans-56.6-46.6174.1-76-178.4158.600111.1V211 Y219 S232 H233 F354 R355V211-E215 HydrophobicContact CG1-CG 4Å; V211-E215 WeakPolarHBondContact O-CB 3.39Å; V211-E215 WeakPolarHBondContact O-CG 3.47Å; V211-E215 PolarHBondContact O-N 3.14Å; E215-Y219 VanDerWaalsContact O-CB 3.23Å; E215-Y219 WeakPolarHBondContact O-CB 3.27Å; E215-Y219 PolarHBondContact O-N 3.39Å; E215-S232 WeakPolarHBondContact CG-OG 3.39Å; E215-H233 IonicContact OE1-CD2 3.42Å; E215-H233 IonicContact OE1-CE1 2.79Å; E215-H233 IonicContact OE1-NE2 3.16Å; E215-H233 PolarHBondContact OE1-NE2 3.09Å; E215-F354 HydrophobicContact CB-CE2 4.49Å; E215-F354 HydrophobicContact CG-CE2 4.16Å; E215-R355 HydrophobicContact CB-CG 4.14Å; E215-R355 HydrophobicContact CG-CG 4.44Å
216S96.8Very high97.3Very high53 Ų5356.5 Ų56.537%0.37130%0.3SS..Hα-helixtrans-63.5-44.2177.1-58.70000111.5K212 I213 L214 N220K212-S216 PolarHBondContact O-N 2.98Å; K212-S216 PolarHBondContact O-OG 2.92Å; I213-S216 PolarHBondContact O-N 3.28Å; L214-S216 VanDerWaalsContact C-N 3.3Å; L214-S216 PolarHBondContact O-N 2.75Å; S216-N220 VanDerWaalsContact O-CB 3.31Å; S216-N220 WeakPolarHBondContact O-CB 3.22Å; S216-N220 PolarHBondContact O-N 3.22Å; S216-N220 PolarHBondContact O-ND2 3.04Å; S216-N220 VanDerWaalsContact O-ND2 3.11Å
217K98Very high97.3Very high113 Ų11359.1 Ų59.149%0.49131%0.312SS..Hα-helixtrans-62.3-54.3177.9-179.5-173.8166.457.70111.8I213 L214 Y219 N220 D221I213-K217 WeakPolarHBondContact O-CB 3.46Å; I213-K217 PolarHBondContact O-N 3.31Å; L214-K217 PolarHBondContact O-N 3.49Å; K217-Y219 VanDerWaalsContact C-N 3.33Å; K217-Y219 PolarHBondContact O-N 2.94Å; K217-N220 CarbonylContact O-C 3.58Å; K217-N220 PolarHBondContact O-N 3.29Å; K217-N220 VanDerWaalsContact O-N 3.13Å; K217-D221 IonicContact NZ-OD2 2.62Å; K217-D221 VanDerWaalsContact O-CG 3.31Å; K217-D221 PolarHBondContact O-N 2.82Å
218I98.1Very high97.3Very high22 Ų2257.6 Ų57.611%0.11330%0.304CS..Hα-helixtrans-60.6-42.6-176.7-68.2-63.4000110.9L214 D221 I223 F354L214-I218 VanDerWaalsContact O-CB 3.32Å; L214-I218 WeakPolarHBondContact O-CB 3.43Å; L214-I218 WeakPolarHBondContact O-CG1 3.5Å; L214-I218 PolarHBondContact O-N 3.28Å; I218-D221 PolarHBondContact O-N 3.18Å; I218-I223 HydrophobicContact CG2-CB 3.77Å; I218-I223 HydrophobicContact CG2-CD1 4.19Å; I218-I223 HydrophobicContact CG2-CG2 3.95Å; I218-I223 PolarHBondContact O-N 2.98Å; I218-F354 HydrophobicContact CB-CZ 4.28Å; I218-F354 HydrophobicContact CG2-CE1 3.91Å; I218-F354 HydrophobicContact CG2-CZ 3.96Å
219Y98.1Very high97.3Very high73 Ų7358 Ų5829%0.28631%0.306SS..Hα-helixtrans-62-45.1174.1-176.8-93.3000112.2E215 K217 D221 G222 T224 D353 F354 R355E215-Y219 VanDerWaalsContact O-CB 3.23Å; E215-Y219 WeakPolarHBondContact O-CB 3.27Å; E215-Y219 PolarHBondContact O-N 3.39Å; K217-Y219 VanDerWaalsContact C-N 3.33Å; K217-Y219 PolarHBondContact O-N 2.94Å; Y219-D221 VanDerWaalsContact C-N 3.27Å; Y219-D221 PolarHBondContact O-N 3.46Å; Y219-G222 PolarHBondContact O-N 3.41Å; Y219-T224 HydrophobicContact CD2-CG2 4.1Å; Y219-T224 HydrophobicContact CE2-CG2 3.79Å; Y219-D353 HydrophobicContact CE2-CB 3.88Å; Y219-D353 VanDerWaalsContact CE2-CG 3.5Å; Y219-F354 HydrophobicContact CD2-CE1 4.48Å; Y219-R355 VanDerWaalsContact CE1-NH2 3.33Å; Y219-R355 VanDerWaalsContact CG-CZ 3.44Å
220N98.1Very high97.3Very high121 Ų12152.2 Ų52.265%0.64728%0.281SS*.Hα-helixtrans-69.2-24.2179-69.5-19.1000113.3S216 K217 G222S216-N220 VanDerWaalsContact O-CB 3.31Å; S216-N220 WeakPolarHBondContact O-CB 3.22Å; S216-N220 PolarHBondContact O-N 3.22Å; S216-N220 PolarHBondContact O-ND2 3.04Å; S216-N220 VanDerWaalsContact O-ND2 3.11Å; K217-N220 CarbonylContact O-C 3.58Å; K217-N220 PolarHBondContact O-N 3.29Å; K217-N220 VanDerWaalsContact O-N 3.13Å; N220-G222 PolarHBondContact O-N 2.77Å
221D98Very high97.3Very high98 Ų9853.8 Ų53.852%0.52428%0.283SS..THydrogen-bonded Turntrans-75.62.4171.3-68.7-16.7000111.9K217 I218 Y219K217-D221 IonicContact NZ-OD2 2.62Å; K217-D221 VanDerWaalsContact O-CG 3.31Å; K217-D221 PolarHBondContact O-N 2.82Å; I218-D221 PolarHBondContact O-N 3.18Å; Y219-D221 VanDerWaalsContact C-N 3.27Å; Y219-D221 PolarHBondContact O-N 3.46Å
222G97.8Very high97.3Very high58 Ų5853.5 Ų53.560%0.59828%0.282SS*.THydrogen-bonded Turntrans91.15.617400000114.9Y219 N220 T224Y219-G222 PolarHBondContact O-N 3.41Å; N220-G222 PolarHBondContact O-N 2.77Å; G222-T224 PolarHBondContact O-N 3.18Å
223I98.1Very high97.4Very high47 Ų4748.6 Ų48.624%0.24126%0.261CS..  trans-88.9104.5179.2-56.8172.1000108.4I218 E227 Y231 F354I218-I223 HydrophobicContact CG2-CB 3.77Å; I218-I223 HydrophobicContact CG2-CD1 4.19Å; I218-I223 HydrophobicContact CG2-CG2 3.95Å; I218-I223 PolarHBondContact O-N 2.98Å; I223-E227 HydrophobicContact CG2-CG 4.03Å; I223-E227 WeakPolarHBondContact CG2-OE1 3.35Å; I223-Y231 HydrophobicContact CD1-CD2 4.08Å; I223-Y231 HydrophobicContact CD1-CE2 4.34Å; I223-Y231 HydrophobicContact CG2-CD2 4.27Å; I223-Y231 HydrophobicContact CG2-CE2 4.47Å; I223-F354 WeakPolarHBondContact O-CD1 3.38Å; I223-F354 VanDerWaalsContact O-CE1 3.24Å; I223-F354 WeakPolarHBondContact O-CE1 3.16Å
224T97.8Very high97.4Very high54 Ų5445.2 Ų45.233%0.33125%0.246SC..  trans-111.9-13.8-175.858.40000114Y219 G222 D352 F354Y219-T224 HydrophobicContact CD2-CG2 4.1Å; Y219-T224 HydrophobicContact CE2-CG2 3.79Å; G222-T224 PolarHBondContact O-N 3.18Å; T224-D352 WeakPolarHBondContact CB-O 3.05Å; T224-F354 PolarHBondContact O-N 3.46Å
225G97.7Very high97.4Very high13 Ų1345.9 Ų45.913%0.13425%0.248CC..SBendtrans-76169178.100000113.3E227 G228 F354G225-E227 VanDerWaalsContact CA-OE2 3.26Å; G225-E227 WeakPolarHBondContact CA-OE2 3.46Å; G225-E227 PolarHBondContact O-N 2.93Å; G225-E227 VanDerWaalsContact O-N 3.1Å; G225-G228 PolarHBondContact O-N 3.13Å; G225-F354 VanDerWaalsContact O-CB 3.22Å; G225-F354 WeakPolarHBondContact O-CB 3.15Å
226P97.8Very high97.4Very high3 Ų349.9 Ų49.92%0.01927%0.268CS..THydrogen-bonded Turntrans-62.5-19.9-173.3-13.826.1000114.3G228 Y229 S304 A305 V308 I357P226-G228 PolarHBondContact O-N 3.17Å; P226-Y229 WeakPolarHBondContact O-CB 3.41Å; P226-Y229 PolarHBondContact O-N 2.97Å; P226-S304 VanDerWaalsContact CB-OG 3.31Å; P226-S304 WeakPolarHBondContact CB-OG 3.47Å; P226-A305 HydrophobicContact CG-CB 4.02Å; P226-V308 HydrophobicContact CB-CG2 3.92Å; P226-I357 HydrophobicContact CB-CD1 3.83Å; P226-I357 HydrophobicContact CG-CD1 3.82Å
227E97.6Very high97.5Very high54 Ų5447.4 Ų47.425%0.25225%0.251SS..Hα-helixtrans-59.3-27.2169.473.6-70.7171.800112.8I223 G225 Y229 L230 Y231I223-E227 HydrophobicContact CG2-CG 4.03Å; I223-E227 WeakPolarHBondContact CG2-OE1 3.35Å; G225-E227 VanDerWaalsContact CA-OE2 3.26Å; G225-E227 WeakPolarHBondContact CA-OE2 3.46Å; G225-E227 PolarHBondContact O-N 2.93Å; G225-E227 VanDerWaalsContact O-N 3.1Å; E227-Y229 PolarHBondContact O-N 3.21Å; E227-L230 WeakPolarHBondContact O-CB 3.32Å; E227-L230 PolarHBondContact O-N 3.49Å; E227-Y231 HydrophobicContact CB-CE2 4.04Å; E227-Y231 HydrophobicContact CG-CD2 4.38Å; E227-Y231 HydrophobicContact CG-CE2 3.68Å; E227-Y231 VanDerWaalsContact O-CD2 3.31Å; E227-Y231 WeakPolarHBondContact O-CD2 3.48Å; E227-Y231 VanDerWaalsContact O-CG 3.26Å; E227-Y231 PolarHBondContact O-N 3.05Å
228G97.6Very high97.5Very high0 Ų042.2 Ų42.20%023%0.228CC..Hα-helixtrans-60.4-30.8171.900000112.6G225 P226 Y231 S232 F354G225-G228 PolarHBondContact O-N 3.13Å; P226-G228 PolarHBondContact O-N 3.17Å; G228-Y231 PolarHBondContact O-N 3.1Å; G228-S232 WeakPolarHBondContact O-CB 3.47Å; G228-S232 PolarHBondContact O-N 3.23Å; G228-S232 PolarHBondContact O-OG 3Å; G228-F354 VanDerWaalsContact C-CD2 3.5Å; G228-F354 VanDerWaalsContact C-CE2 3.45Å; G228-F354 WeakPolarHBondContact O-CE2 3.41Å
229Y95.9Very high97.5Very high11 Ų1142.1 Ų42.14%0.04323%0.228CC..Hα-helixtrans-64.6-48.8174.6-157.5-81000110.7P226 E227 Y231 S232 H233 V308 L309 S310 F354 S359P226-Y229 WeakPolarHBondContact O-CB 3.41Å; P226-Y229 PolarHBondContact O-N 2.97Å; E227-Y229 PolarHBondContact O-N 3.21Å; Y229-Y231 VanDerWaalsContact C-N 3.32Å; Y229-Y231 PolarHBondContact O-N 3.1Å; Y229-S232 PolarHBondContact O-N 2.74Å; Y229-S232 PolarHBondContact O-OG 3.29Å; Y229-H233 AromaticContact CE1-CD2 3.97Å; Y229-H233 AromaticContact CE1-CE1 3.65Å; Y229-H233 AromaticContact CE1-ND1 3.87Å; Y229-H233 AromaticContact CE1-NE2 3.75Å; Y229-H233 AromaticContact CZ-CE1 3.59Å; Y229-H233 AromaticContact CZ-NE2 3.68Å; Y229-H233 WeakPolarHBondContact O-CB 3.33Å; Y229-H233 PolarHBondContact O-CD2 2.9Å; Y229-H233 PolarHBondContact O-N 2.71Å; Y229-V308 HydrophobicContact CD1-CG1 4.06Å; Y229-V308 HydrophobicContact CD2-CG1 3.63Å; Y229-V308 HydrophobicContact CE1-CG1 4.15Å; Y229-V308 HydrophobicContact CE2-CG1 3.73Å; Y229-V308 HydrophobicContact CG-CG1 3.82Å; Y229-L309 WeakPolarHBondContact CE1-O 3.2Å; Y229-S310 WeakPolarHBondContact OH-CB 3.35Å; Y229-F354 HydrophobicContact CD2-CD2 4.16Å; Y229-F354 VanDerWaalsContact N-CD2 3.27Å; Y229-S359 WeakPolarHBondContact OH-CB 3.38Å
230L96.4Very high97.6Very high18 Ų1841.8 Ų41.89%0.09423%0.229CC..Hα-helixtrans-58.5-43.2175.1171.869.4000111.9E227 S232 Y296 P312 V315E227-L230 WeakPolarHBondContact O-CB 3.32Å; E227-L230 PolarHBondContact O-N 3.49Å; L230-S232 VanDerWaalsContact C-N 3.35Å; L230-Y296 HydrophobicContact CB-CD2 3.93Å; L230-Y296 HydrophobicContact CB-CG 4.08Å; L230-Y296 HydrophobicContact CD1-CD2 3.98Å; L230-Y296 HydrophobicContact CD1-CE2 4.28Å; L230-Y296 HydrophobicContact CD2-CD2 4.06Å; L230-Y296 HydrophobicContact CD2-CG 4.48Å; L230-Y296 HydrophobicContact CG-CD2 4.19Å; L230-P312 HydrophobicContact CD1-CB 4.24Å; L230-P312 HydrophobicContact CD1-CG 4.32Å; L230-V315 HydrophobicContact CD1-CG1 4.04Å; L230-V315 HydrophobicContact CD2-CG1 3.34Å; L230-V315 HydrophobicContact CG-CG1 4.28Å
231Y97.3Very high97.6Very high93 Ų9336 Ų3637%0.36520%0.198SC..Hα-helixtrans-71.2-29.3-177.2-59.8-26.6000113.7I223 E227 G228 Y229 K297I223-Y231 HydrophobicContact CD1-CD2 4.08Å; I223-Y231 HydrophobicContact CD1-CE2 4.34Å; I223-Y231 HydrophobicContact CG2-CD2 4.27Å; I223-Y231 HydrophobicContact CG2-CE2 4.47Å; E227-Y231 HydrophobicContact CB-CE2 4.04Å; E227-Y231 HydrophobicContact CG-CD2 4.38Å; E227-Y231 HydrophobicContact CG-CE2 3.68Å; E227-Y231 VanDerWaalsContact O-CD2 3.31Å; E227-Y231 WeakPolarHBondContact O-CD2 3.48Å; E227-Y231 VanDerWaalsContact O-CG 3.26Å; E227-Y231 PolarHBondContact O-N 3.05Å; G228-Y231 PolarHBondContact O-N 3.1Å; Y229-Y231 VanDerWaalsContact C-N 3.32Å; Y229-Y231 PolarHBondContact O-N 3.1Å; Y231-K297 WeakPolarHBondContact OH-CE 3.23Å
232S97.1Very high97.6Very high0 Ų031.4 Ų31.40%017%0.173CC..Hα-helixtrans-87.2-11.5-179.951.30000114.2L214 E215 G228 Y229 L230 P234 F354L214-S232 WeakPolarHBondContact CB-O 3.16Å; E215-S232 WeakPolarHBondContact CG-OG 3.39Å; G228-S232 WeakPolarHBondContact O-CB 3.47Å; G228-S232 PolarHBondContact O-N 3.23Å; G228-S232 PolarHBondContact O-OG 3Å; Y229-S232 PolarHBondContact O-N 2.74Å; Y229-S232 PolarHBondContact O-OG 3.29Å; L230-S232 VanDerWaalsContact C-N 3.35Å; S232-P234 WeakPolarHBondContact O-CD 3.43Å; S232-F354 WeakPolarHBondContact OG-CE2 3.22Å
233H97.3Very high97.7Very high5 Ų533.3 Ų33.32%0.02317%0.166CC..SBendtrans-11663.9179.1-67.1-122.5000111.4E206 V211 E215 Y229 P312 R314E206-H233 IonicContact OE1-ND1 3.53Å; V211-H233 VanDerWaalsContact CG1-CE1 3.4Å; V211-H233 WeakPolarHBondContact CG1-CE1 3.44Å; V211-H233 VanDerWaalsContact CG1-NE2 3.3Å; V211-H233 WeakPolarHBondContact CG1-NE2 3.23Å; E215-H233 IonicContact OE1-CD2 3.42Å; E215-H233 IonicContact OE1-CE1 2.79Å; E215-H233 IonicContact OE1-NE2 3.16Å; E215-H233 PolarHBondContact OE1-NE2 3.09Å; Y229-H233 AromaticContact CE1-CD2 3.97Å; Y229-H233 AromaticContact CE1-CE1 3.65Å; Y229-H233 AromaticContact CE1-ND1 3.87Å; Y229-H233 AromaticContact CE1-NE2 3.75Å; Y229-H233 AromaticContact CZ-CE1 3.59Å; Y229-H233 AromaticContact CZ-NE2 3.68Å; Y229-H233 WeakPolarHBondContact O-CB 3.33Å; Y229-H233 PolarHBondContact O-CD2 2.9Å; Y229-H233 PolarHBondContact O-N 2.71Å; H233-P312 HydrophobicContact CB-CG 3.67Å; H233-P312 WeakPolarHBondContact O-CG 3.41Å; H233-R314 PolarHBondContact O-NH1 3.35Å
234P96.5Very high97.7Very high42 Ų4233 Ų3327%0.27316%0.162SC..  trans-64152.2-175.429.5-37000111.5L210 L214 S232 M236 A237L210-P234 HydrophobicContact CD2-CG 4.48Å; L214-P234 VanDerWaalsContact CD1-CD 3.49Å; L214-P234 HydrophobicContact CD1-CG 3.59Å; S232-P234 WeakPolarHBondContact O-CD 3.43Å; P234-M236 PolarHBondContact O-N 3.02Å; P234-A237 HydrophobicContact CG-CB 4.28Å; P234-A237 VanDerWaalsContact O-CB 3.31Å; P234-A237 WeakPolarHBondContact O-CB 3.42Å; P234-A237 PolarHBondContact O-N 2.69Å
235E97.2Very high97.7Very high52 Ų5230.5 Ų30.524%0.24315%0.147CC..Hα-helixtrans-50.3-36.1177.1-168-176.4-138.500112.8A237 E238 I239 S263 K265E235-A237 PolarHBondContact O-N 2.98Å; E235-E238 PolarHBondContact O-N 3.32Å; E235-E238 VanDerWaalsContact O-N 3.09Å; E235-I239 HydrophobicContact CG-CD1 3.98Å; E235-I239 HydrophobicContact CG-CG1 4.37Å; E235-I239 WeakPolarHBondContact O-CG1 3.17Å; E235-I239 PolarHBondContact O-N 2.94Å; E235-I239 VanDerWaalsContact O-N 3.08Å; E235-S263 WeakPolarHBondContact CG-OG 2.91Å; E235-S263 WeakPolarHBondContact OE1-CB 3.19Å; E235-S263 PolarHBondContact OE1-OG 3.37Å; E235-K265 IonicContact OE2-NZ 3.15Å; E235-K265 PolarHBondContact OE2-NZ 3.49Å
236M97.1Very high97.8Very high118 Ų11830.4 Ų30.458%0.58114%0.143SC*.Hα-helixtrans-61.6-28.6178.7-163.261.869.100113.7P234 E238 I239 E240P234-M236 PolarHBondContact O-N 3.02Å; M236-E238 VanDerWaalsContact C-N 3.33Å; M236-I239 PolarHBondContact O-N 2.94Å; M236-I239 HydrophobicContact SD-CB 4.41Å; M236-I239 HydrophobicContact SD-CD1 4.23Å; M236-E240 WeakPolarHBondContact O-CB 3.41Å; M236-E240 PolarHBondContact O-N 3.39Å
237A98Very high97.8Very high1 Ų133 Ų331%0.00816%0.161CC..Hα-helixtrans-66.5-37.7175.800000111.3E206 N207 L210 V211 P234 E235 A241E206-A237 CarbonylContact C-O 3.56Å; E206-A237 WeakPolarHBondContact CA-O 3.34Å; N207-A237 HydrophobicContact CB-CB 4.23Å; N207-A237 PolarHBondContact N-O 3.04Å; L210-A237 HydrophobicContact CD2-CB 4.24Å; V211-A237 HydrophobicContact CG2-CB 4.17Å; P234-A237 HydrophobicContact CG-CB 4.28Å; P234-A237 VanDerWaalsContact O-CB 3.31Å; P234-A237 WeakPolarHBondContact O-CB 3.42Å; P234-A237 PolarHBondContact O-N 2.69Å; E235-A237 PolarHBondContact O-N 2.98Å; A237-A241 WeakPolarHBondContact O-CB 3.41Å; A237-A241 PolarHBondContact O-N 3.5Å
238E98.6Very high97.8Very high3 Ų332 Ų321%0.01416%0.158CC..Hα-helixtrans-70.8-45175.1-171.2-168.4178.300111.2A205 E206 E235 M236 T242 V261 T262 S263 A266 P311 R314A205-E238 VanDerWaalsContact O-CA 3.29Å; A205-E238 WeakPolarHBondContact O-CA 3.47Å; E206-E238 HydrophobicContact CG-CB 4.4Å; E235-E238 PolarHBondContact O-N 3.32Å; E235-E238 VanDerWaalsContact O-N 3.09Å; M236-E238 VanDerWaalsContact C-N 3.33Å; E238-T242 VanDerWaalsContact O-CB 3.27Å; E238-T242 WeakPolarHBondContact O-CB 3.5Å; E238-T242 PolarHBondContact O-N 2.97Å; E238-T242 PolarHBondContact O-OG1 3.03Å; E238-V261 WeakPolarHBondContact OE1-CA 3.41Å; E238-T262 PolarHBondContact OE1-N 2.66Å; E238-T262 PolarHBondContact OE2-OG1 3.03Å; E238-S263 PolarHBondContact OE1-N 3.29Å; E238-S263 WeakPolarHBondContact OE2-CB 3.19Å; E238-S263 PolarHBondContact OE2-N 2.98Å; E238-A266 HydrophobicContact CG-CB 3.73Å; E238-P311 HydrophobicContact CG-CG 4.21Å; E238-R314 IonicContact OE2-CZ 3.91Å; E238-R314 IonicContact OE2-NE 2.71Å; E238-R314 PolarHBondContact OE2-NE 3.16Å; E238-R314 IonicContact OE2-NH2 3.73Å; E238-R314 PolarHBondContact OE2-NH2 3.25Å
239I98.5Very high97.9Very high20 Ų2032.1 Ų32.110%0.10316%0.158CC..Hα-helixtrans-59.5-51.9-179.8-61.4165.4000111E235 M236 T242 H243 K265 Q269E235-I239 HydrophobicContact CG-CD1 3.98Å; E235-I239 HydrophobicContact CG-CG1 4.37Å; E235-I239 WeakPolarHBondContact O-CG1 3.17Å; E235-I239 PolarHBondContact O-N 2.94Å; E235-I239 VanDerWaalsContact O-N 3.08Å; M236-I239 PolarHBondContact O-N 2.94Å; M236-I239 HydrophobicContact SD-CB 4.41Å; M236-I239 HydrophobicContact SD-CD1 4.23Å; I239-T242 PolarHBondContact O-N 2.91Å; I239-H243 PolarHBondContact O-N 3.37Å; I239-H243 VanDerWaalsContact O-N 3.08Å; I239-K265 HydrophobicContact CD1-CB 3.48Å; I239-K265 VanDerWaalsContact CD1-CB 3.48Å; I239-K265 HydrophobicContact CD1-CD 3.62Å; I239-K265 HydrophobicContact CD1-CG 4.25Å; I239-K265 HydrophobicContact CG1-CB 3.76Å; I239-Q269 HydrophobicContact CG2-CG 4.07Å
240E98.4Very high97.9Very high67 Ų6734.2 Ų34.231%0.31317%0.17SC..Hα-helixtrans-61.7-48.4-178.3-177.2-78148.400111.5N207 M236 T242 H243 R244N207-E240 WeakPolarHBondContact CB-OE2 3.19Å; N207-E240 PolarHBondContact ND2-OE2 3.22Å; M236-E240 WeakPolarHBondContact O-CB 3.41Å; M236-E240 PolarHBondContact O-N 3.39Å; E240-T242 VanDerWaalsContact C-N 3.31Å; E240-T242 PolarHBondContact O-N 3.25Å; E240-H243 PolarHBondContact O-N 3.5Å; E240-R244 WeakPolarHBondContact O-CB 3.47Å; E240-R244 PolarHBondContact O-N 3.33Å; E240-R244 WeakPolarHBondContact OE1-CD 3.26Å; E240-R244 IonicContact OE1-CZ 2.67Å; E240-R244 IonicContact OE1-NE 3.92Å; E240-R244 PolarHBondContact OE1-NE 3.46Å; E240-R244 IonicContact OE1-NH2 2.89Å; E240-R244 IonicContact OE2-CZ 2.72Å; E240-R244 IonicContact OE2-NE 3.66Å; E240-R244 IonicContact OE2-NH2 3.71Å; E240-R244 PolarHBondContact OE2-NH2 3.33Å; E240-R244 VanDerWaalsContact OE2-NH2 3.09Å
241A98.6Very high97.8Very high0 Ų036.9 Ų36.90%020%0.195CC..Hα-helixtrans-68.6-32.7-177.100000112.2L174 A205 A237 R244 A245L174-A241 HydrophobicContact CB-CB 4.41Å; L174-A241 HydrophobicContact CD1-CB 4.3Å; A205-A241 VanDerWaalsContact C-CB 3.47Å; A205-A241 HydrophobicContact CB-CB 4.25Å; A237-A241 WeakPolarHBondContact O-CB 3.41Å; A237-A241 PolarHBondContact O-N 3.5Å; A241-R244 PolarHBondContact O-N 3.41Å; A241-A245 VanDerWaalsContact O-CB 3.25Å; A241-A245 WeakPolarHBondContact O-CB 3.25Å; A241-A245 PolarHBondContact O-N 3.17Å
242T98.8Very high97.8Very high0 Ų032.8 Ų32.80%018%0.18CC..Hα-helixtrans-62.3-50173.1-61.30000110.1E238 I239 E240 R244 A245 I246 I258 Q269 I270E238-T242 VanDerWaalsContact O-CB 3.27Å; E238-T242 WeakPolarHBondContact O-CB 3.5Å; E238-T242 PolarHBondContact O-N 2.97Å; E238-T242 PolarHBondContact O-OG1 3.03Å; I239-T242 PolarHBondContact O-N 2.91Å; E240-T242 VanDerWaalsContact C-N 3.31Å; E240-T242 PolarHBondContact O-N 3.25Å; T242-R244 PolarHBondContact O-N 3.31Å; T242-A245 PolarHBondContact O-N 3.02Å; T242-I246 HydrophobicContact CG2-CD1 3.89Å; T242-I246 WeakPolarHBondContact O-CD1 3.38Å; T242-I246 VanDerWaalsContact O-CG1 3.24Å; T242-I246 WeakPolarHBondContact O-CG1 3.29Å; T242-I246 PolarHBondContact O-N 2.84Å; T242-I258 HydrophobicContact CG2-CD1 4.38Å; T242-I258 HydrophobicContact CG2-CG1 4.36Å; T242-I258 HydrophobicContact CG2-CG2 4.33Å; T242-Q269 HydrophobicContact CG2-CB 3.91Å; T242-I270 HydrophobicContact CG2-CG1 4.05Å
243H98.5Very high97.6Very high98 Ų9834 Ų3445%0.45419%0.193SC..Hα-helixtrans-61.4-43.6177.4-179.5-103.7000112.6I239 E240 I246 S247 Q269I239-H243 PolarHBondContact O-N 3.37Å; I239-H243 VanDerWaalsContact O-N 3.08Å; E240-H243 PolarHBondContact O-N 3.5Å; H243-I246 PolarHBondContact O-N 3.03Å; H243-S247 WeakPolarHBondContact O-CB 3.48Å; H243-S247 PolarHBondContact O-N 2.95Å; H243-S247 PolarHBondContact O-OG 2.89Å; H243-Q269 HydrophobicContact CB-CG 4.39Å; H243-Q269 PolarHBondContact CD2-OE1 3.34Å
244R98.5Very high97.6Very high42 Ų4234.2 Ų34.216%0.15820%0.195CC..Hα-helixtrans-63.6-45.9177.3177.6161.248.182.110.7112D184 E240 A241 T242 I246 S247 L248D184-R244 IonicContact OD1-CZ 3.53Å; D184-R244 IonicContact OD1-NH1 3.73Å; D184-R244 PolarHBondContact OD1-NH1 3.31Å; E240-R244 WeakPolarHBondContact O-CB 3.47Å; E240-R244 PolarHBondContact O-N 3.33Å; E240-R244 WeakPolarHBondContact OE1-CD 3.26Å; E240-R244 IonicContact OE1-CZ 2.67Å; E240-R244 IonicContact OE1-NE 3.92Å; E240-R244 PolarHBondContact OE1-NE 3.46Å; E240-R244 IonicContact OE1-NH2 2.89Å; E240-R244 IonicContact OE2-CZ 2.72Å; E240-R244 IonicContact OE2-NE 3.66Å; E240-R244 IonicContact OE2-NH2 3.71Å; E240-R244 PolarHBondContact OE2-NH2 3.33Å; E240-R244 VanDerWaalsContact OE2-NH2 3.09Å; A241-R244 PolarHBondContact O-N 3.41Å; T242-R244 PolarHBondContact O-N 3.31Å; R244-I246 VanDerWaalsContact C-N 3.34Å; R244-I246 PolarHBondContact O-N 3.02Å; R244-S247 WeakPolarHBondContact O-CB 3.44Å; R244-S247 PolarHBondContact O-N 3.06Å; R244-L248 HydrophobicContact CG-CD1 3.96Å; R244-L248 HydrophobicContact CG-CG 4.43Å; R244-L248 WeakPolarHBondContact O-CG 3.36Å; R244-L248 PolarHBondContact O-N 3.43Å
245A98.7Very high97.7Very high0 Ų032.3 Ų32.30%018%0.183CC..Hα-helixtrans-60-44.5177.200000111.8L174 F187 V203 A241 T242 S247 L248 A249 L256 I258L174-A245 HydrophobicContact CD1-CB 3.82Å; F187-A245 HydrophobicContact CE2-CB 4.29Å; F187-A245 HydrophobicContact CZ-CB 4.04Å; V203-A245 HydrophobicContact CG1-CB 3.99Å; V203-A245 HydrophobicContact CG2-CB 4.1Å; A241-A245 VanDerWaalsContact O-CB 3.25Å; A241-A245 WeakPolarHBondContact O-CB 3.25Å; A241-A245 PolarHBondContact O-N 3.17Å; T242-A245 PolarHBondContact O-N 3.02Å; A245-S247 VanDerWaalsContact C-N 3.35Å; A245-S247 PolarHBondContact O-N 3.39Å; A245-L248 PolarHBondContact O-N 2.91Å; A245-A249 VanDerWaalsContact O-CB 3.26Å; A245-A249 WeakPolarHBondContact O-CB 3.25Å; A245-A249 PolarHBondContact O-N 2.77Å; A245-L256 HydrophobicContact CB-CD2 3.95Å; A245-I258 HydrophobicContact CB-CD1 4.49Å
246I98.7Very high97.7Very high12 Ų1230 Ų306%0.06217%0.172CC..Hα-helixtrans-59-47.1175.5-70.6166.8000110.5T242 H243 R244 L248 A249 D250 L256 I258 Q269 I270 A273 V280T242-I246 HydrophobicContact CG2-CD1 3.89Å; T242-I246 WeakPolarHBondContact O-CD1 3.38Å; T242-I246 VanDerWaalsContact O-CG1 3.24Å; T242-I246 WeakPolarHBondContact O-CG1 3.29Å; T242-I246 PolarHBondContact O-N 2.84Å; H243-I246 PolarHBondContact O-N 3.03Å; R244-I246 VanDerWaalsContact C-N 3.34Å; R244-I246 PolarHBondContact O-N 3.02Å; I246-L248 PolarHBondContact O-N 3.26Å; I246-A249 PolarHBondContact O-N 3.18Å; I246-D250 VanDerWaalsContact O-CB 3.29Å; I246-D250 WeakPolarHBondContact O-CB 3.28Å; I246-D250 PolarHBondContact O-N 3.04Å; I246-L256 HydrophobicContact CG1-CD2 4.01Å; I246-I258 HydrophobicContact CG1-CD1 4.34Å; I246-Q269 HydrophobicContact CD1-CB 4.41Å; I246-I270 HydrophobicContact CD1-CG1 4.47Å; I246-A273 HydrophobicContact CD1-CB 3.92Å; I246-A273 HydrophobicContact CG1-CB 4.48Å; I246-A273 HydrophobicContact CG2-CB 3.61Å; I246-V280 HydrophobicContact CG1-CG1 4.38Å; I246-V280 HydrophobicContact CG1-CG2 4.21Å; I246-V280 HydrophobicContact CG2-CG2 4.43Å
247S98.1Very high97.8Very high57 Ų5724.4 Ų24.440%0.39914%0.144SC..Hα-helixtrans-61-46.2-179.5-60.60000112.2H243 R244 A245 A251H243-S247 WeakPolarHBondContact O-CB 3.48Å; H243-S247 PolarHBondContact O-N 2.95Å; H243-S247 PolarHBondContact O-OG 2.89Å; R244-S247 WeakPolarHBondContact O-CB 3.44Å; R244-S247 PolarHBondContact O-N 3.06Å; A245-S247 VanDerWaalsContact C-N 3.35Å; A245-S247 PolarHBondContact O-N 3.39Å; S247-A251 WeakPolarHBondContact O-CB 3.3Å; S247-A251 PolarHBondContact O-N 2.88Å
248L98.4Very high97.8Very high34 Ų3424.4 Ų24.418%0.17814%0.144CC..Hα-helixtrans-67-44.1179-68.1170.9000111.9D184 F187 R244 A245 I246 A251 A252D184-L248 HydrophobicContact CB-CD1 3.88Å; D184-L248 HydrophobicContact CB-CD2 4.32Å; F187-L248 HydrophobicContact CB-CD1 4.46Å; F187-L248 HydrophobicContact CD1-CB 3.53Å; F187-L248 HydrophobicContact CD1-CD1 3.69Å; F187-L248 HydrophobicContact CD1-CG 4.24Å; F187-L248 HydrophobicContact CE1-CB 3.45Å; F187-L248 VanDerWaalsContact CE1-CB 3.45Å; F187-L248 HydrophobicContact CE1-CD1 4.19Å; F187-L248 HydrophobicContact CE1-CG 4.48Å; F187-L248 HydrophobicContact CG-CD1 4.13Å; R244-L248 HydrophobicContact CG-CD1 3.96Å; R244-L248 HydrophobicContact CG-CG 4.43Å; R244-L248 WeakPolarHBondContact O-CG 3.36Å; R244-L248 PolarHBondContact O-N 3.43Å; A245-L248 PolarHBondContact O-N 2.91Å; I246-L248 PolarHBondContact O-N 3.26Å; L248-A251 PolarHBondContact O-N 2.83Å; L248-A252 PolarHBondContact O-N 2.96Å
249A98.2Very high97.8Very high1 Ų124.4 Ų24.41%0.00814%0.144CC..Hα-helixtrans-65.7-39.4178.900000111.6F187 A245 I246 A252 G253 C254 L256F187-A249 HydrophobicContact CE1-CB 4.36Å; A245-A249 VanDerWaalsContact O-CB 3.26Å; A245-A249 WeakPolarHBondContact O-CB 3.25Å; A245-A249 PolarHBondContact O-N 2.77Å; I246-A249 PolarHBondContact O-N 3.18Å; A249-A252 CarbonylContact O-C 3.4Å; A249-A252 PolarHBondContact O-N 3.49Å; A249-G253 PolarHBondContact O-N 2.87Å; A249-C254 PolarHBondContact O-N 2.8Å; A249-L256 HydrophobicContact CB-CB 3.91Å; A249-L256 HydrophobicContact CB-CD1 4.02Å; A249-L256 HydrophobicContact CB-CD2 3.88Å; A249-L256 HydrophobicContact CB-CG 4.16Å
250D96.1Very high97.8Very high55 Ų5524.1 Ų24.129%0.29414%0.142SC..Hα-helixtrans-64.8-43176.1-166.758.6000112.3I246 A252 G253 N278 R495I246-D250 VanDerWaalsContact O-CB 3.29Å; I246-D250 WeakPolarHBondContact O-CB 3.28Å; I246-D250 PolarHBondContact O-N 3.04Å; D250-A252 VanDerWaalsContact C-N 3.26Å; D250-A252 PolarHBondContact O-N 3.43Å; D250-G253 WeakPolarHBondContact O-CA 3.26Å; D250-G253 PolarHBondContact O-N 3.22Å; D250-N278 PolarHBondContact OD1-ND2 2.62Å; D250-N278 PolarHBondContact OD2-ND2 3.27Å; D250-R495 IonicContact OD1-CZ 3.12Å; D250-R495 IonicContact OD1-NH1 3.07Å; D250-R495 PolarHBondContact OD1-NH1 3.2Å; D250-R495 IonicContact OD1-NH2 3.21Å; D250-R495 IonicContact OD2-NH1 3.17Å
251A95.5Very high97.8Very high75 Ų7521 Ų2162%0.6213%0.128SC*.Hα-helixtrans-61-35.7174.200000112.1F188 S247 L248 G253F188-A251 HydrophobicContact CE2-CB 3.92Å; S247-A251 WeakPolarHBondContact O-CB 3.3Å; S247-A251 PolarHBondContact O-N 2.88Å; L248-A251 PolarHBondContact O-N 2.83Å; A251-G253 VanDerWaalsContact C-N 3.26Å; A251-G253 PolarHBondContact O-N 2.97Å
252A96.1Very high97.8Very high7 Ų721 Ų216%0.05813%0.128CC..Hα-helixtrans-73.7-18.1172.500000112.9F188 A191 K192 K195 L248 A249 D250 C254F188-A252 HydrophobicContact CD2-CB 4.05Å; F188-A252 HydrophobicContact CE2-CB 3.88Å; A191-A252 HydrophobicContact CB-CB 3.72Å; K192-A252 HydrophobicContact CG-CB 3.95Å; K195-A252 WeakPolarHBondContact CD-O 3.37Å; K195-A252 PolarHBondContact NZ-O 2.93Å; K195-A252 VanDerWaalsContact NZ-O 3.12Å; L248-A252 PolarHBondContact O-N 2.96Å; A249-A252 CarbonylContact O-C 3.4Å; A249-A252 PolarHBondContact O-N 3.49Å; D250-A252 VanDerWaalsContact C-N 3.26Å; D250-A252 PolarHBondContact O-N 3.43Å; A252-C254 VanDerWaalsContact C-N 3.29Å; A252-C254 HydrophobicContact CB-CB 4.27Å
253G94.8Very high97.7Very high26 Ų2621 Ų2127%0.26813%0.128SC..THydrogen-bonded Turntrans67.329.1-169.400000112.8K195 A249 D250 A251K195-G253 WeakPolarHBondContact CD-O 3.27Å; K195-G253 WeakPolarHBondContact CE-O 3.33Å; A249-G253 PolarHBondContact O-N 2.87Å; D250-G253 WeakPolarHBondContact O-CA 3.26Å; D250-G253 PolarHBondContact O-N 3.22Å; A251-G253 VanDerWaalsContact C-N 3.26Å; A251-G253 PolarHBondContact O-N 2.97Å
254C97.3Very high97.7Very high8 Ų817 Ų175%0.05411%0.111CC..  trans-97.4131.7179.4-173.40000110.4A191 K195 A249 A252A191-C254 HydrophobicContact CB-CB 3.9Å; A191-C254 WeakPolarHBondContact O-CB 3.18Å; A191-C254 PolarHBondContact O-SG 3.49Å; K195-C254 HydrophobicContact CB-CB 4.18Å; A249-C254 PolarHBondContact O-N 2.8Å; A252-C254 VanDerWaalsContact C-N 3.29Å; A252-C254 HydrophobicContact CB-CB 4.27Å
255P97Very high97.7Very high3 Ų320 Ų202%0.01913%0.125CC..  trans-58.3142.3164-24.836.6000111.8V279 I484 F485 T488P255-V279 WeakPolarHBondContact CA-O 3.32Å; P255-V279 HydrophobicContact CB-CB 4.21Å; P255-V279 HydrophobicContact CB-CG1 3.82Å; P255-V279 HydrophobicContact CG-CB 4.42Å; P255-V279 HydrophobicContact CG-CG1 4.16Å; P255-I484 HydrophobicContact CB-CG2 3.29Å; P255-I484 HydrophobicContact CG-CG2 3.52Å; P255-F485 HydrophobicContact CG-CD1 4.34Å; P255-F485 HydrophobicContact CG-CE1 4Å; P255-F485 HydrophobicContact CG-CZ 4.12Å; P255-T488 HydrophobicContact CG-CG2 3.53Å
256L98.6Very high97.7Very high4 Ų420 Ų202%0.02113%0.125CC..EExtended strand (participates in β ladder)trans-124.8138.9-175.1-170.166.3000111.5F187 L201 V203 A245 I246 A249 I258 V279 V280 V281F187-L256 HydrophobicContact CZ-CD1 4.09Å; L201-L256 HydrophobicContact CB-CD1 4.44Å; L201-L256 HydrophobicContact CD2-CD1 4.11Å; L201-L256 HydrophobicContact CG-CD1 4.08Å; V203-L256 HydrophobicContact CB-CD1 4.3Å; V203-L256 HydrophobicContact CG1-CD1 3.76Å; V203-L256 HydrophobicContact CG1-CD2 4.19Å; V203-L256 HydrophobicContact CG1-CG 4.06Å; A245-L256 HydrophobicContact CB-CD2 3.95Å; I246-L256 HydrophobicContact CG1-CD2 4.01Å; A249-L256 HydrophobicContact CB-CB 3.91Å; A249-L256 HydrophobicContact CB-CD1 4.02Å; A249-L256 HydrophobicContact CB-CD2 3.88Å; A249-L256 HydrophobicContact CB-CG 4.16Å; L256-I258 HydrophobicContact CD2-CD1 3.43Å; L256-I258 VanDerWaalsContact CD2-CD1 3.43Å; L256-I258 HydrophobicContact CG-CD1 3.85Å; L256-V279 PolarHBondContact N-O 2.86Å; L256-V280 CarbonylContact O-C 3.48Å; L256-V280 VanDerWaalsContact O-CA 3.31Å; L256-V280 WeakPolarHBondContact O-CA 3.38Å; L256-V281 PolarHBondContact O-N 3.45Å
257Y98.8Very high97.7Very high0 Ų019.4 Ų19.40%012%0.122CC..EExtended strand (participates in β ladder)trans-114.8109.5172.9-170.5-75.4000109.4L201 Q202 V203 L259 V281 E283 C334 V397 F398L201-Y257 PolarHBondContact O-N 3.44Å; Q202-Y257 CarbonylContact C-O 3.57Å; Q202-Y257 VanDerWaalsContact CA-O 3.28Å; Q202-Y257 WeakPolarHBondContact CA-O 3.27Å; Q202-Y257 HydrophobicContact CB-CD1 4.48Å; Q202-Y257 HydrophobicContact CG-CD1 4.01Å; Q202-Y257 HydrophobicContact CG-CG 4.18Å; V203-Y257 PolarHBondContact N-O 3.04Å; Y257-L259 HydrophobicContact CD1-CD2 3.86Å; Y257-L259 HydrophobicContact CD1-CG 4.25Å; Y257-L259 HydrophobicContact CE1-CD2 3.7Å; Y257-L259 HydrophobicContact CE1-CG 4.47Å; Y257-V281 CarbonylContact C-O 3.52Å; Y257-V281 WeakPolarHBondContact CA-O 3.49Å; Y257-V281 HydrophobicContact CD2-CB 3.76Å; Y257-V281 HydrophobicContact CD2-CG1 3.6Å; Y257-V281 HydrophobicContact CE2-CB 4.3Å; Y257-V281 HydrophobicContact CE2-CG1 3.61Å; Y257-V281 HydrophobicContact CG-CB 4.45Å; Y257-E283 HydrophobicContact CE1-CB 3.55Å; Y257-E283 HydrophobicContact CE1-CG 4.25Å; Y257-E283 VanDerWaalsContact CE1-OE2 3.3Å; Y257-E283 WeakPolarHBondContact CE1-OE2 3.36Å; Y257-E283 WeakPolarHBondContact OH-CB 3.38Å; Y257-E283 PolarHBondContact OH-OE2 2.87Å; Y257-C334 WeakPolarHBondContact OH-CB 3.4Å; Y257-V397 HydrophobicContact CD2-CG1 3.82Å; Y257-V397 HydrophobicContact CE2-CG1 3.94Å; Y257-F398 HydrophobicContact CD2-CZ 4.07Å; Y257-F398 HydrophobicContact CE2-CE2 4.05Å; Y257-F398 AromaticContact CE2-CZ 3.79Å; Y257-F398 HydrophobicContact CE2-CZ 3.79Å
258I98.8Very high97.7Very high1 Ų120 Ų201%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-83.9115.6177.1-51.6-60.3000108.4V203 A205 T242 A245 I246 L256 V261 I270 V280 V281 E283V203-I258 HydrophobicContact CG1-CD1 3.39Å; A205-I258 HydrophobicContact CB-CG2 4.33Å; T242-I258 HydrophobicContact CG2-CD1 4.38Å; T242-I258 HydrophobicContact CG2-CG1 4.36Å; T242-I258 HydrophobicContact CG2-CG2 4.33Å; A245-I258 HydrophobicContact CB-CD1 4.49Å; I246-I258 HydrophobicContact CG1-CD1 4.34Å; L256-I258 HydrophobicContact CD2-CD1 3.43Å; L256-I258 VanDerWaalsContact CD2-CD1 3.43Å; L256-I258 HydrophobicContact CG-CD1 3.85Å; I258-V261 HydrophobicContact CB-CG2 4.41Å; I258-V261 HydrophobicContact CG2-CG2 3.76Å; I258-I270 HydrophobicContact CB-CD1 3.82Å; I258-I270 HydrophobicContact CB-CG1 4.48Å; I258-I270 HydrophobicContact CG1-CD1 3.92Å; I258-I270 HydrophobicContact CG1-CG1 4.03Å; I258-I270 HydrophobicContact CG2-CD1 4.05Å; I258-V280 HydrophobicContact CG1-CG1 3.85Å; I258-V281 PolarHBondContact N-O 3.04Å; I258-E283 PolarHBondContact O-N 3.4Å
259L98.3Very high97.7Very high3 Ų320.2 Ų20.22%0.01612%0.121CC..  trans-76.1150.5179.7-65.4163.4000110.9R171 Q202 V203 Y257 V261R171-L259 VanDerWaalsContact CD-CD1 3.44Å; R171-L259 HydrophobicContact CG-CD1 3.69Å; R171-L259 VanDerWaalsContact NE-CD1 3.29Å; Q202-L259 HydrophobicContact CB-CD1 3.94Å; Q202-L259 HydrophobicContact CB-CD2 4.24Å; Q202-L259 HydrophobicContact CB-CG 4.07Å; Q202-L259 HydrophobicContact CG-CD2 4.42Å; V203-L259 WeakPolarHBondContact O-CB 3.32Å; V203-L259 PolarHBondContact O-N 3.28Å; Y257-L259 HydrophobicContact CD1-CD2 3.86Å; Y257-L259 HydrophobicContact CD1-CG 4.25Å; Y257-L259 HydrophobicContact CE1-CD2 3.7Å; Y257-L259 HydrophobicContact CE1-CG 4.47Å; L259-V261 VanDerWaalsContact C-N 3.35Å; L259-V261 PolarHBondContact O-N 3.4Å; L259-V261 VanDerWaalsContact O-N 3.11Å
260Q97.4Very high97.8Very high14 Ų1420.2 Ų20.27%0.06512%0.12CC..  trans44.948.7157.564176.1106.700116.9H80 H204 T262 E283 L285 S310H80-Q260 PolarHBondContact CE1-OE1 2.83Å; H204-Q260 PolarHBondContact ND1-OE1 2.67Å; Q260-T262 WeakPolarHBondContact O-CG2 3.21Å; Q260-T262 PolarHBondContact O-N 2.76Å; Q260-E283 PolarHBondContact N-O 3.44Å; Q260-E283 PolarHBondContact N-OE1 3.46Å; Q260-L285 HydrophobicContact CB-CD1 3.69Å; Q260-L285 HydrophobicContact CB-CD2 3.88Å; Q260-L285 HydrophobicContact CB-CG 3.66Å; Q260-S310 PolarHBondContact NE2-O 2.81Å
261V98.6Very high97.9Very high0 Ų019.6 Ų19.60%012%0.121CC..  trans-62117175.9179.90000109.7E238 I258 L259 S263 A266 A267 I270 E283 T284 L323 L332E238-V261 WeakPolarHBondContact OE1-CA 3.41Å; I258-V261 HydrophobicContact CB-CG2 4.41Å; I258-V261 HydrophobicContact CG2-CG2 3.76Å; L259-V261 VanDerWaalsContact C-N 3.35Å; L259-V261 PolarHBondContact O-N 3.4Å; L259-V261 VanDerWaalsContact O-N 3.11Å; V261-S263 WeakPolarHBondContact CG1-O 3.36Å; V261-A266 HydrophobicContact CG1-CB 4.12Å; V261-A267 HydrophobicContact CG1-CB 4.1Å; V261-I270 HydrophobicContact CG2-CD1 3.61Å; V261-E283 WeakPolarHBondContact CB-O 3.45Å; V261-E283 WeakPolarHBondContact CG2-O 3.38Å; V261-E283 PolarHBondContact N-O 3.18Å; V261-T284 WeakPolarHBondContact O-CB 3.5Å; V261-T284 PolarHBondContact O-OG1 3.27Å; V261-L323 HydrophobicContact CG1-CD2 4.26Å; V261-L332 HydrophobicContact CB-CD2 4.05Å; V261-L332 HydrophobicContact CG1-CD2 4.24Å; V261-L332 HydrophobicContact CG2-CD2 3.97Å
262T98.4Very high98Very high2 Ų221.2 Ų21.21%0.01212%0.115CC..  trans-108.3-18176.376.60000112.3E238 Q260 A288 P311 P312 R314 T319E238-T262 PolarHBondContact OE1-N 2.66Å; E238-T262 PolarHBondContact OE2-OG1 3.03Å; Q260-T262 WeakPolarHBondContact O-CG2 3.21Å; Q260-T262 PolarHBondContact O-N 2.76Å; T262-A288 HydrophobicContact CG2-CB 4.39Å; T262-P311 HydrophobicContact CG2-CB 4.2Å; T262-P311 HydrophobicContact CG2-CG 4.47Å; T262-P312 PolarHBondContact OG1-O 3.22Å; T262-R314 WeakPolarHBondContact O-CG 3.48Å; T262-R314 PolarHBondContact OG1-NE 2.7Å; T262-R314 VanDerWaalsContact OG1-NE 3.07Å; T262-T319 WeakPolarHBondContact O-CG2 3.3Å
263S97.9Very high98.1Very high0 Ų021.1 Ų21.10%011%0.114CC..  trans-99.1130.8176.6174.20000113E235 E238 V261 K265 A266 A267E235-S263 WeakPolarHBondContact CG-OG 2.91Å; E235-S263 WeakPolarHBondContact OE1-CB 3.19Å; E235-S263 PolarHBondContact OE1-OG 3.37Å; E238-S263 PolarHBondContact OE1-N 3.29Å; E238-S263 WeakPolarHBondContact OE2-CB 3.19Å; E238-S263 PolarHBondContact OE2-N 2.98Å; V261-S263 WeakPolarHBondContact CG1-O 3.36Å; S263-K265 PolarHBondContact O-N 2.8Å; S263-K265 PolarHBondContact OG-N 2.87Å; S263-A266 PolarHBondContact O-N 3.47Å; S263-A266 VanDerWaalsContact O-N 3.14Å; S263-A266 PolarHBondContact OG-N 3.29Å; S263-A267 PolarHBondContact O-N 3.08Å
264P98.2Very high98.2Very high14 Ų1423.5 Ų23.59%0.09112%0.115CC..Hα-helixtrans-56.8-33.2166.2-27.737.7000113.3A267 D268 T319 K322 L323 Y326P264-A267 CarbonylContact O-C 3.57Å; P264-A267 WeakPolarHBondContact O-CB 3.47Å; P264-A267 PolarHBondContact O-N 2.93Å; P264-D268 PolarHBondContact O-N 3.42Å; P264-T319 HydrophobicContact CG-CG2 3.92Å; P264-K322 HydrophobicContact CB-CB 4.09Å; P264-K322 HydrophobicContact CB-CD 4.35Å; P264-K322 HydrophobicContact CG-CB 3.65Å; P264-K322 HydrophobicContact CG-CD 4Å; P264-L323 HydrophobicContact CG-CD2 4.42Å; P264-L323 HydrophobicContact CG-CG 4.47Å; P264-Y326 HydrophobicContact CB-CE2 4.05Å
265K98.3Very high98.2Very high104 Ų10433.9 Ų33.945%0.45215%0.153SC..Hα-helixtrans-75.4-27.7177.7-66-178.7-168.9146.10112.9E235 I239 S263 A267 D268 Q269E235-K265 IonicContact OE2-NZ 3.15Å; E235-K265 PolarHBondContact OE2-NZ 3.49Å; I239-K265 HydrophobicContact CD1-CB 3.48Å; I239-K265 VanDerWaalsContact CD1-CB 3.48Å; I239-K265 HydrophobicContact CD1-CD 3.62Å; I239-K265 HydrophobicContact CD1-CG 4.25Å; I239-K265 HydrophobicContact CG1-CB 3.76Å; S263-K265 PolarHBondContact O-N 2.8Å; S263-K265 PolarHBondContact OG-N 2.87Å; K265-A267 VanDerWaalsContact C-N 3.35Å; K265-D268 WeakPolarHBondContact O-CB 3.33Å; K265-D268 PolarHBondContact O-N 2.9Å; K265-Q269 PolarHBondContact O-N 3.49Å
266A98.7Very high98.1Very high0 Ų038.4 Ų38.40%018%0.177CC..Hα-helixtrans-69.5-37.7167.500000110.4E238 V261 S263 D268 Q269 I270E238-A266 HydrophobicContact CG-CB 3.73Å; V261-A266 HydrophobicContact CG1-CB 4.12Å; S263-A266 PolarHBondContact O-N 3.47Å; S263-A266 VanDerWaalsContact O-N 3.14Å; S263-A266 PolarHBondContact OG-N 3.29Å; A266-D268 VanDerWaalsContact C-N 3.3Å; A266-D268 PolarHBondContact O-N 3.15Å; A266-Q269 WeakPolarHBondContact O-CB 3.28Å; A266-Q269 PolarHBondContact O-N 3.02Å; A266-Q269 VanDerWaalsContact O-N 3.15Å; A266-I270 PolarHBondContact O-N 3.46Å
267A98.7Very high97.9Very high0 Ų039.8 Ų39.80%019%0.193CC..Hα-helixtrans-62.5-33.5170.800000112.9V261 S263 P264 K265 Q269 I270 S271 Y326 L332V261-A267 HydrophobicContact CG1-CB 4.1Å; S263-A267 PolarHBondContact O-N 3.08Å; P264-A267 CarbonylContact O-C 3.57Å; P264-A267 WeakPolarHBondContact O-CB 3.47Å; P264-A267 PolarHBondContact O-N 2.93Å; K265-A267 VanDerWaalsContact C-N 3.35Å; A267-Q269 VanDerWaalsContact C-N 3.33Å; A267-Q269 PolarHBondContact O-N 3.43Å; A267-I270 PolarHBondContact O-N 2.91Å; A267-S271 PolarHBondContact O-N 2.98Å; A267-Y326 HydrophobicContact CB-CD1 3.88Å; A267-Y326 HydrophobicContact CB-CD2 3.71Å; A267-Y326 HydrophobicContact CB-CE1 4.07Å; A267-Y326 HydrophobicContact CB-CE2 3.96Å; A267-Y326 HydrophobicContact CB-CG 3.69Å; A267-L332 HydrophobicContact CB-CD1 4.34Å; A267-L332 HydrophobicContact CB-CD2 4.38Å; A267-L332 HydrophobicContact CB-CG 4.46Å
268D98.5Very high97.7Very high70 Ų7040.7 Ų40.737%0.37420%0.198SC..Hα-helixtrans-59.3-41.5171.4-73.8-36.1000112.1P264 K265 A266 I270 S271 E272 Y326P264-D268 PolarHBondContact O-N 3.42Å; K265-D268 WeakPolarHBondContact O-CB 3.33Å; K265-D268 PolarHBondContact O-N 2.9Å; A266-D268 VanDerWaalsContact C-N 3.3Å; A266-D268 PolarHBondContact O-N 3.15Å; D268-I270 VanDerWaalsContact C-N 3.3Å; D268-I270 PolarHBondContact O-N 2.96Å; D268-S271 WeakPolarHBondContact O-CB 3.43Å; D268-S271 PolarHBondContact O-N 3.49Å; D268-S271 VanDerWaalsContact O-N 3.16Å; D268-E272 WeakPolarHBondContact O-CB 3.37Å; D268-E272 PolarHBondContact O-N 3.08Å; D268-Y326 VanDerWaalsContact CG-OH 3.26Å; D268-Y326 PolarHBondContact OD1-OH 3.21Å
269Q98.6Very high97.6Very high38 Ų3841.5 Ų41.518%0.17820%0.203CC..Hα-helixtrans-61.5-39.8176.2-60.3-56.8-66.200111.7I239 T242 H243 I246 K265 A266 A267 A273I239-Q269 HydrophobicContact CG2-CG 4.07Å; T242-Q269 HydrophobicContact CG2-CB 3.91Å; H243-Q269 HydrophobicContact CB-CG 4.39Å; H243-Q269 PolarHBondContact CD2-OE1 3.34Å; I246-Q269 HydrophobicContact CD1-CB 4.41Å; K265-Q269 PolarHBondContact O-N 3.49Å; A266-Q269 WeakPolarHBondContact O-CB 3.28Å; A266-Q269 PolarHBondContact O-N 3.02Å; A266-Q269 VanDerWaalsContact O-N 3.15Å; A267-Q269 VanDerWaalsContact C-N 3.33Å; A267-Q269 PolarHBondContact O-N 3.43Å; Q269-A273 WeakPolarHBondContact O-CB 3.24Å; Q269-A273 PolarHBondContact O-N 3.11Å
270I98.7Very high97.6Very high0 Ų041.6 Ų41.60%020%0.203CC..Hα-helixtrans-66.4-42.4175.1-61.2171.7000110.4T242 I246 I258 V261 A266 A267 D268 A273 R274 V280 V331 L332T242-I270 HydrophobicContact CG2-CG1 4.05Å; I246-I270 HydrophobicContact CD1-CG1 4.47Å; I258-I270 HydrophobicContact CB-CD1 3.82Å; I258-I270 HydrophobicContact CB-CG1 4.48Å; I258-I270 HydrophobicContact CG1-CD1 3.92Å; I258-I270 HydrophobicContact CG1-CG1 4.03Å; I258-I270 HydrophobicContact CG2-CD1 4.05Å; V261-I270 HydrophobicContact CG2-CD1 3.61Å; A266-I270 PolarHBondContact O-N 3.46Å; A267-I270 PolarHBondContact O-N 2.91Å; D268-I270 VanDerWaalsContact C-N 3.3Å; D268-I270 PolarHBondContact O-N 2.96Å; I270-A273 PolarHBondContact O-N 3.3Å; I270-R274 HydrophobicContact CG2-CG 4.42Å; I270-R274 WeakPolarHBondContact O-CB 3.01Å; I270-R274 VanDerWaalsContact O-CG 3.25Å; I270-R274 WeakPolarHBondContact O-CG 3.24Å; I270-R274 PolarHBondContact O-N 3.18Å; I270-V280 HydrophobicContact CG1-CG1 4.48Å; I270-V280 HydrophobicContact CG2-CG1 4.05Å; I270-V331 HydrophobicContact CB-CG1 4.21Å; I270-V331 HydrophobicContact CG2-CG1 4Å; I270-L332 HydrophobicContact CD1-CD2 4.11Å
271S98.5Very high97.6Very high43 Ų4341.2 Ų41.230%0.30120%0.202SC..Hα-helixtrans-59.6-48.9177.3-167.20000111.4A267 D268 R274 W275A267-S271 PolarHBondContact O-N 2.98Å; D268-S271 WeakPolarHBondContact O-CB 3.43Å; D268-S271 PolarHBondContact O-N 3.49Å; D268-S271 VanDerWaalsContact O-N 3.16Å; S271-R274 PolarHBondContact O-N 3.28Å; S271-W275 WeakPolarHBondContact O-CB 3.48Å; S271-W275 PolarHBondContact O-N 3.15Å
272E98.4Very high97.6Very high109 Ų10941.2 Ų41.251%0.50920%0.202SC..Hα-helixtrans-61.9-44.5178-176.5175.1-177.900111.9D268 R274 W275 N276D268-E272 WeakPolarHBondContact O-CB 3.37Å; D268-E272 PolarHBondContact O-N 3.08Å; E272-R274 PolarHBondContact O-N 2.74Å; E272-W275 WeakPolarHBondContact O-CB 3.38Å; E272-W275 PolarHBondContact O-N 3.04Å; E272-N276 PolarHBondContact O-N 3.25Å; E272-N276 PolarHBondContact O-ND2 3.25Å
273A98Very high97.6Very high4 Ų441.1 Ų41.13%0.03320%0.201CC..Hα-helixtrans-61.2-44.6176.600000112I246 Q269 I270 W275 N276 G277 N278 V280I246-A273 HydrophobicContact CD1-CB 3.92Å; I246-A273 HydrophobicContact CG1-CB 4.48Å; I246-A273 HydrophobicContact CG2-CB 3.61Å; Q269-A273 WeakPolarHBondContact O-CB 3.24Å; Q269-A273 PolarHBondContact O-N 3.11Å; I270-A273 PolarHBondContact O-N 3.3Å; A273-W275 VanDerWaalsContact C-N 3.31Å; A273-W275 PolarHBondContact O-N 2.79Å; A273-N276 CarbonylContact O-C 3.49Å; A273-N276 PolarHBondContact O-N 3.02Å; A273-G277 PolarHBondContact O-N 3.34Å; A273-N278 VanDerWaalsContact CA-OD1 3.27Å; A273-N278 WeakPolarHBondContact CA-OD1 3.19Å; A273-N278 HydrophobicContact CB-CB 4.03Å; A273-N278 VanDerWaalsContact O-CB 3.26Å; A273-N278 WeakPolarHBondContact O-CB 3.31Å; A273-N278 PolarHBondContact O-N 2.94Å; A273-N278 PolarHBondContact O-OD1 3.48Å; A273-V280 HydrophobicContact CB-CG2 4.13Å
274R97.2Very high97.7Very high76 Ų7641.1 Ų41.129%0.28720%0.201SC..Hα-helixtrans-63.5-39.2176.3-71.1173.866.382.4-12.9111.7I270 S271 E272 N276 G277 V280 G330 E333I270-R274 HydrophobicContact CG2-CG 4.42Å; I270-R274 WeakPolarHBondContact O-CB 3.01Å; I270-R274 VanDerWaalsContact O-CG 3.25Å; I270-R274 WeakPolarHBondContact O-CG 3.24Å; I270-R274 PolarHBondContact O-N 3.18Å; S271-R274 PolarHBondContact O-N 3.28Å; E272-R274 PolarHBondContact O-N 2.74Å; R274-N276 VanDerWaalsContact C-N 3.3Å; R274-N276 PolarHBondContact O-N 3.37Å; R274-G277 PolarHBondContact O-N 2.82Å; R274-V280 HydrophobicContact CG-CB 4.49Å; R274-V280 PolarHBondContact NH1-O 3.2Å; R274-G330 PolarHBondContact NH2-O 3.23Å; R274-E333 IonicContact CZ-OE1 3.37Å; R274-E333 IonicContact NH1-OE1 2.76Å; R274-E333 PolarHBondContact NH1-OE1 3.37Å; R274-E333 IonicContact NH2-OE1 3.92Å; R274-E333 PolarHBondContact NH2-OE1 2.96Å; R274-E333 VanDerWaalsContact NH2-OE1 3.07Å
275W96.6Very high97.7Very high226 Ų22640.4 Ų40.486%0.85620%0.197SC*.Hα-helixtrans-60.2-40.1173.6-177.9-93.9000112.1S271 E272 A273 G277S271-W275 WeakPolarHBondContact O-CB 3.48Å; S271-W275 PolarHBondContact O-N 3.15Å; E272-W275 WeakPolarHBondContact O-CB 3.38Å; E272-W275 PolarHBondContact O-N 3.04Å; A273-W275 VanDerWaalsContact C-N 3.31Å; A273-W275 PolarHBondContact O-N 2.79Å; W275-G277 PolarHBondContact O-N 2.59Å
276N95Very high97.7Very high98 Ų9835.5 Ų35.552%0.52418%0.175SC..THydrogen-bonded Turntrans-74.51.5174.6-67.4-29.6000113.8E272 A273 R274E272-N276 PolarHBondContact O-N 3.25Å; E272-N276 PolarHBondContact O-ND2 3.25Å; A273-N276 CarbonylContact O-C 3.49Å; A273-N276 PolarHBondContact O-N 3.02Å; R274-N276 VanDerWaalsContact C-N 3.3Å; R274-N276 PolarHBondContact O-N 3.37Å
277G93.6Very high97.7Very high34 Ų3435.5 Ų35.535%0.35118%0.175SC..THydrogen-bonded Turntrans82.412.8177.100000114.6A273 R274 W275A273-G277 PolarHBondContact O-N 3.34Å; R274-G277 PolarHBondContact O-N 2.82Å; W275-G277 PolarHBondContact O-N 2.59Å
278N95.5Very high97.7Very high19 Ų1935.7 Ų35.710%0.10218%0.177CC..  trans-66145.9171.4-53.6104.4000110.2D250 A273 V280D250-N278 PolarHBondContact OD1-ND2 2.62Å; D250-N278 PolarHBondContact OD2-ND2 3.27Å; A273-N278 VanDerWaalsContact CA-OD1 3.27Å; A273-N278 WeakPolarHBondContact CA-OD1 3.19Å; A273-N278 HydrophobicContact CB-CB 4.03Å; A273-N278 VanDerWaalsContact O-CB 3.26Å; A273-N278 WeakPolarHBondContact O-CB 3.31Å; A273-N278 PolarHBondContact O-N 2.94Å; A273-N278 PolarHBondContact O-OD1 3.48Å; N278-V280 HydrophobicContact CB-CG2 3.85Å; N278-V280 PolarHBondContact O-N 3.07Å
279V96.2Very high97.7Very high18 Ų1832.3 Ų32.311%0.10916%0.159CC..  trans-89.585.2175.5-172.40000108.6P255 L256 I484 T488 L491P255-V279 WeakPolarHBondContact CA-O 3.32Å; P255-V279 HydrophobicContact CB-CB 4.21Å; P255-V279 HydrophobicContact CB-CG1 3.82Å; P255-V279 HydrophobicContact CG-CB 4.42Å; P255-V279 HydrophobicContact CG-CG1 4.16Å; L256-V279 PolarHBondContact N-O 2.86Å; V279-I484 HydrophobicContact CG1-CG2 4.47Å; V279-T488 HydrophobicContact CG2-CG2 4.36Å; V279-L491 HydrophobicContact CG2-CD1 3.68Å
280V98Very high97.6Very high4 Ų430.8 Ų30.82%0.02415%0.154CC..EExtended strand (participates in β ladder)trans-124130.8-178.9-173.30000110.1I246 L256 I258 I270 A273 R274 N278I246-V280 HydrophobicContact CG1-CG1 4.38Å; I246-V280 HydrophobicContact CG1-CG2 4.21Å; I246-V280 HydrophobicContact CG2-CG2 4.43Å; L256-V280 CarbonylContact O-C 3.48Å; L256-V280 VanDerWaalsContact O-CA 3.31Å; L256-V280 WeakPolarHBondContact O-CA 3.38Å; I258-V280 HydrophobicContact CG1-CG1 3.85Å; I270-V280 HydrophobicContact CG1-CG1 4.48Å; I270-V280 HydrophobicContact CG2-CG1 4.05Å; A273-V280 HydrophobicContact CB-CG2 4.13Å; R274-V280 HydrophobicContact CG-CB 4.49Å; R274-V280 PolarHBondContact NH1-O 3.2Å; N278-V280 HydrophobicContact CB-CG2 3.85Å; N278-V280 PolarHBondContact O-N 3.07Å
281V98.4Very high97.6Very high6 Ų631.3 Ų31.34%0.03616%0.158CC..EExtended strand (participates in β ladder)trans-110.2130.1173-179.20000108.3L256 Y257 I258 E333 V397 I484L256-V281 PolarHBondContact O-N 3.45Å; Y257-V281 CarbonylContact C-O 3.52Å; Y257-V281 WeakPolarHBondContact CA-O 3.49Å; Y257-V281 HydrophobicContact CD2-CB 3.76Å; Y257-V281 HydrophobicContact CD2-CG1 3.6Å; Y257-V281 HydrophobicContact CE2-CB 4.3Å; Y257-V281 HydrophobicContact CE2-CG1 3.61Å; Y257-V281 HydrophobicContact CG-CB 4.45Å; I258-V281 PolarHBondContact N-O 3.04Å; V281-E333 HydrophobicContact CG1-CB 4.11Å; V281-V397 HydrophobicContact CG1-CG2 4.14Å; V281-V397 HydrophobicContact CG2-CG2 4.32Å; V281-I484 HydrophobicContact CG2-CD1 3.71Å
282G98.6Very high97.5Very high0 Ų030.5 Ų30.50%015%0.15CC..EExtended strand (participates in β ladder)trans-104.6138.5174.700000112.5L332 E333 C334G282-L332 CarbonylContact O-C 3.53Å; G282-L332 WeakPolarHBondContact O-CA 3.35Å; G282-E333 PolarHBondContact O-N 2.8Å; G282-C334 PolarHBondContact O-N 2.76Å
283E98.8Very high97.4Very high0 Ų025.3 Ų25.30%013%0.126CC..EExtended strand (participates in β ladder)trans-114.6138.8171.7179.1-171.490.200110.3H80 Y257 I258 Q260 V261 C334 A336H80-E283 IonicContact CE1-OE1 3.68Å; H80-E283 IonicContact CG-OE1 3.14Å; H80-E283 IonicContact ND1-OE1 3.82Å; H80-E283 PolarHBondContact ND1-OE1 2.53Å; Y257-E283 HydrophobicContact CE1-CB 3.55Å; Y257-E283 HydrophobicContact CE1-CG 4.25Å; Y257-E283 VanDerWaalsContact CE1-OE2 3.3Å; Y257-E283 WeakPolarHBondContact CE1-OE2 3.36Å; Y257-E283 WeakPolarHBondContact OH-CB 3.38Å; Y257-E283 PolarHBondContact OH-OE2 2.87Å; I258-E283 PolarHBondContact O-N 3.4Å; Q260-E283 PolarHBondContact N-O 3.44Å; Q260-E283 PolarHBondContact N-OE1 3.46Å; V261-E283 WeakPolarHBondContact CB-O 3.45Å; V261-E283 WeakPolarHBondContact CG2-O 3.38Å; V261-E283 PolarHBondContact N-O 3.18Å; E283-C334 WeakPolarHBondContact CA-O 3.4Å; E283-C334 HydrophobicContact CB-CB 4.39Å; E283-C334 HydrophobicContact CG-CB 4.4Å; E283-A336 VanDerWaalsContact CD-CB 3.49Å; E283-A336 HydrophobicContact CG-CB 3.88Å
284T98.7Very high97.4Very high0 Ų028.4 Ų28.40%014%0.144CC..EExtended strand (participates in β ladder)trans-119.6165.6162.7-166.80000110.7V261 L289 V327 L332 C334 T335 A336V261-T284 WeakPolarHBondContact O-CB 3.5Å; V261-T284 PolarHBondContact O-OG1 3.27Å; T284-L289 HydrophobicContact CG2-CD1 3.89Å; T284-L289 HydrophobicContact CG2-CD2 4.06Å; T284-L289 HydrophobicContact CG2-CG 4.01Å; T284-V327 HydrophobicContact CG2-CG2 3.89Å; T284-L332 HydrophobicContact CG2-CD1 4.17Å; T284-C334 PolarHBondContact N-O 3.14Å; T284-C334 VanDerWaalsContact N-O 3.11Å; T284-T335 HydrophobicContact CG2-CG2 4.28Å; T284-T335 WeakPolarHBondContact O-CA 3.46Å; T284-A336 PolarHBondContact O-N 3.09Å
285L98.6Very high97.4Very high0 Ų027.1 Ų27.10%014%0.141CC..EExtended strand (participates in β ladder)trans-101.4151.2-176.1-57.6-173.5000111.7Q260 A287 A288 L289 L309 A336Q260-L285 HydrophobicContact CB-CD1 3.69Å; Q260-L285 HydrophobicContact CB-CD2 3.88Å; Q260-L285 HydrophobicContact CB-CG 3.66Å; L285-A287 HydrophobicContact CB-CB 4.26Å; L285-A287 PolarHBondContact O-N 2.89Å; L285-A288 PolarHBondContact O-N 3.2Å; L285-L289 PolarHBondContact O-N 3.02Å; L285-L309 HydrophobicContact CD1-CD2 4.2Å; L285-A336 CarbonylContact C-O 3.55Å; L285-A336 VanDerWaalsContact CA-O 3.28Å; L285-A336 WeakPolarHBondContact CA-O 3.49Å; L285-A336 HydrophobicContact CD2-CB 4.11Å
286A98.5Very high97.4Very high0 Ų016.3 Ų16.30%010%0.101CC..Hα-helixtrans-50.9-37.9166.300000111.5A288 L289 G290 A336 R367 V370 F440A286-A288 VanDerWaalsContact C-N 3.35Å; A286-A288 PolarHBondContact O-N 3.39Å; A286-L289 PolarHBondContact O-N 2.98Å; A286-G290 WeakPolarHBondContact O-CA 3.3Å; A286-G290 PolarHBondContact O-N 3.37Å; A286-A336 PolarHBondContact N-O 3.09Å; A286-R367 HydrophobicContact CB-CB 4.12Å; A286-R367 HydrophobicContact CB-CG 4.15Å; A286-V370 HydrophobicContact CB-CG1 4.43Å; A286-F440 HydrophobicContact CB-CZ 4.02Å
287A98.4Very high97.5Very high0 Ų017.8 Ų17.80%010%0.102CC..Hα-helixtrans-57.3-44.1175.400000112.9L285 L289 A291 L309 L313 V361 I439L285-A287 HydrophobicContact CB-CB 4.26Å; L285-A287 PolarHBondContact O-N 2.89Å; A287-L289 VanDerWaalsContact C-N 3.31Å; A287-L289 PolarHBondContact O-N 3.42Å; A287-A291 PolarHBondContact O-N 2.84Å; A287-L309 HydrophobicContact CB-CD2 4.33Å; A287-L313 HydrophobicContact CB-CD2 4.13Å; A287-V361 HydrophobicContact CB-CG2 4.04Å; A287-I439 HydrophobicContact CB-CD1 3.38Å
288A98.4Very high97.6Very high4 Ų419.3 Ų19.33%0.03310%0.102CC..Hα-helixtrans-76.2-17.7-178.800000113.6T262 L285 A286 L313 P320 L323T262-A288 HydrophobicContact CG2-CB 4.39Å; L285-A288 PolarHBondContact O-N 3.2Å; A286-A288 VanDerWaalsContact C-N 3.35Å; A286-A288 PolarHBondContact O-N 3.39Å; A288-L313 HydrophobicContact CB-CD2 4.15Å; A288-P320 WeakPolarHBondContact O-CA 3.48Å; A288-L323 HydrophobicContact CB-CD1 3.73Å
289L98.5Very high97.7Very high0 Ų024.5 Ų24.50%014%0.14CC..Hα-helixtrans-95.2-27.7174.6-60.8177.2000112.4T284 L285 A286 A287 P320 L323 M324 T335 V371 R374T284-L289 HydrophobicContact CG2-CD1 3.89Å; T284-L289 HydrophobicContact CG2-CD2 4.06Å; T284-L289 HydrophobicContact CG2-CG 4.01Å; L285-L289 PolarHBondContact O-N 3.02Å; A286-L289 PolarHBondContact O-N 2.98Å; A287-L289 VanDerWaalsContact C-N 3.31Å; A287-L289 PolarHBondContact O-N 3.42Å; L289-P320 WeakPolarHBondContact O-CB 3.41Å; L289-L323 HydrophobicContact CD2-CB 3.81Å; L289-M324 HydrophobicContact CB-CE 4.46Å; L289-M324 HydrophobicContact CD1-CE 3.75Å; L289-M324 HydrophobicContact CD2-CB 4.39Å; L289-M324 HydrophobicContact CD2-CE 4.04Å; L289-M324 HydrophobicContact CG-CE 4.29Å; L289-T335 HydrophobicContact CD1-CG2 3.92Å; L289-V371 HydrophobicContact CD1-CG2 4.08Å; L289-R374 WeakPolarHBondContact O-CD 3.49Å; L289-R374 WeakPolarHBondContact O-CG 3.41Å; L289-R374 PolarHBondContact O-NE 2.78Å
290G97.8Very high97.8Very high6 Ų626.6 Ų26.66%0.06216%0.155CC..Hα-helixtrans-97.9-29.2-173.800000114.9A286 R374A286-G290 WeakPolarHBondContact O-CA 3.3Å; A286-G290 PolarHBondContact O-N 3.37Å; G290-R374 PolarHBondContact O-NH2 3.39Å
291A97.7Very high97.8Very high10 Ų1029.5 Ų29.58%0.08317%0.165CC..  trans-135.9175.6-174.500000111.9A287 Y307 L313A287-A291 PolarHBondContact O-N 2.84Å; A291-Y307 HydrophobicContact CB-CD1 4.49Å; A291-Y307 HydrophobicContact CB-CE1 3.92Å; A291-L313 HydrophobicContact CB-CD1 3.99Å
292D97.3Very high97.8Very high27 Ų2734.2 Ų34.214%0.14418%0.182CC..  trans-139.5175.3179.269.147.9000112.9T294 H295 P317D292-T294 VanDerWaalsContact C-N 3.26Å; D292-T294 PolarHBondContact O-N 3.29Å; D292-T294 WeakPolarHBondContact OD1-CB 3.25Å; D292-T294 VanDerWaalsContact OD1-CG2 3.25Å; D292-T294 WeakPolarHBondContact OD1-CG2 3.2Å; D292-T294 PolarHBondContact OD1-N 3.34Å; D292-T294 PolarHBondContact OD1-OG1 2.93Å; D292-H295 PolarHBondContact O-CD2 3.1Å; D292-H295 VanDerWaalsContact O-CD2 3.24Å; D292-P317 WeakPolarHBondContact OD2-CA 3.38Å
293G96.4Very high97.7Very high0 Ų036.3 Ų36.30%019%0.192CC..G310 helixtrans-77.51.6-176.500000115.4H295 Y296 L313 R314G293-H295 PolarHBondContact O-N 3.16Å; G293-Y296 WeakPolarHBondContact O-CD2 3.34Å; G293-Y296 PolarHBondContact O-N 3.16Å; G293-L313 WeakPolarHBondContact CA-O 3.38Å; G293-R314 PolarHBondContact N-O 3.07Å
294T97Very high97.7Very high68 Ų6836.4 Ų36.442%0.41719%0.193SC..G310 helixtrans-65.7-27.617763.20000111.8D292 Y296 K297D292-T294 VanDerWaalsContact C-N 3.26Å; D292-T294 PolarHBondContact O-N 3.29Å; D292-T294 WeakPolarHBondContact OD1-CB 3.25Å; D292-T294 VanDerWaalsContact OD1-CG2 3.25Å; D292-T294 WeakPolarHBondContact OD1-CG2 3.2Å; D292-T294 PolarHBondContact OD1-N 3.34Å; D292-T294 PolarHBondContact OD1-OG1 2.93Å; T294-Y296 PolarHBondContact O-N 3.43Å; T294-K297 PolarHBondContact O-N 3.26Å
295H97.6Very high97.7Very high49 Ų4936.5 Ų36.523%0.22719%0.193CC..G310 helixtrans-61.6-24.1178-62.1-59.1000114.4D292 G293 K297 D298 H303 S304 Y307D292-H295 PolarHBondContact O-CD2 3.1Å; D292-H295 VanDerWaalsContact O-CD2 3.24Å; G293-H295 PolarHBondContact O-N 3.16Å; H295-K297 PolarHBondContact O-N 3.14Å; H295-K297 VanDerWaalsContact O-N 3.17Å; H295-D298 WeakPolarHBondContact O-CB 3.4Å; H295-D298 PolarHBondContact O-N 2.86Å; H295-H303 AromaticContact CG-NE2 3.55Å; H295-H303 AromaticContact ND1-CE1 3.77Å; H295-H303 AromaticContact ND1-NE2 3.05Å; H295-H303 PolarHBondContact ND1-NE2 3.24Å; H295-S304 WeakPolarHBondContact O-CA 3.39Å; H295-Y307 HydrophobicContact CB-CD1 3.9Å; H295-Y307 HydrophobicContact CB-CD2 3.45Å; H295-Y307 VanDerWaalsContact CB-CD2 3.45Å; H295-Y307 HydrophobicContact CB-CE1 4.08Å; H295-Y307 HydrophobicContact CB-CE2 3.66Å; H295-Y307 HydrophobicContact CB-CG 3.59Å; H295-Y307 AromaticContact CD2-CD1 3.64Å; H295-Y307 AromaticContact CD2-CE1 3.16Å; H295-Y307 WeakPolarHBondContact CD2-CE1 3.29Å; H295-Y307 AromaticContact CD2-CZ 3.39Å; H295-Y307 AromaticContact CG-CD1 3.98Å; H295-Y307 AromaticContact CG-CD2 3.96Å; H295-Y307 AromaticContact CG-CE1 3.66Å; H295-Y307 AromaticContact CG-CE2 3.66Å; H295-Y307 AromaticContact CG-CZ 3.49Å; H295-Y307 VanDerWaalsContact CG-CZ 3.49Å; H295-Y307 AromaticContact ND1-CZ 3.9Å; H295-Y307 AromaticContact NE2-CE1 3.74Å; H295-Y307 AromaticContact NE2-CZ 3.75Å
296Y97.2Very high97.6Very high0 Ų036.9 Ų36.90%020%0.198CC..G310 helixtrans-63.4-19.3174.5-62.7-59.8000113.2L230 G293 T294 S304 Y307 V308 P312 L313L230-Y296 HydrophobicContact CB-CD2 3.93Å; L230-Y296 HydrophobicContact CB-CG 4.08Å; L230-Y296 HydrophobicContact CD1-CD2 3.98Å; L230-Y296 HydrophobicContact CD1-CE2 4.28Å; L230-Y296 HydrophobicContact CD2-CD2 4.06Å; L230-Y296 HydrophobicContact CD2-CG 4.48Å; L230-Y296 HydrophobicContact CG-CD2 4.19Å; G293-Y296 WeakPolarHBondContact O-CD2 3.34Å; G293-Y296 PolarHBondContact O-N 3.16Å; T294-Y296 PolarHBondContact O-N 3.43Å; Y296-S304 WeakPolarHBondContact CA-OG 3.42Å; Y296-S304 PolarHBondContact O-OG 3.31Å; Y296-Y307 VanDerWaalsContact CE1-C 3.46Å; Y296-Y307 WeakPolarHBondContact CE1-O 3.44Å; Y296-Y307 VanDerWaalsContact CZ-O 3.28Å; Y296-Y307 PolarHBondContact OH-O 2.66Å; Y296-V308 HydrophobicContact CE1-CG2 4.41Å; Y296-P312 HydrophobicContact CE2-CB 3.89Å; Y296-L313 HydrophobicContact CE2-CB 4.05Å; Y296-L313 WeakPolarHBondContact CE2-O 3.44Å; Y296-L313 PolarHBondContact OH-N 2.66Å; Y296-L313 VanDerWaalsContact OH-N 3.08Å
297K95.8Very high97.6Very high128 Ų12837.3 Ų37.356%0.55720%0.2SC*.G310 helixtrans-102.99.9-178.9-59.9-176.2179.8-176.10113.2Y231 T294 H295Y231-K297 WeakPolarHBondContact OH-CE 3.23Å; T294-K297 PolarHBondContact O-N 3.26Å; H295-K297 PolarHBondContact O-N 3.14Å; H295-K297 VanDerWaalsContact O-N 3.17Å
298D97.2Very high97.6Very high66 Ų6637.3 Ų37.335%0.35320%0.2SC..  trans-63.9143.2174.5-163.7-81000110.8H295 C300 H303H295-D298 WeakPolarHBondContact O-CB 3.4Å; H295-D298 PolarHBondContact O-N 2.86Å; D298-C300 VanDerWaalsContact C-N 3.26Å; D298-C300 PolarHBondContact O-N 2.89Å; D298-C300 WeakPolarHBondContact OD1-CB 2.99Å; D298-C300 PolarHBondContact OD1-N 3.14Å; D298-H303 HydrophobicContact CB-CB 4.28Å; D298-H303 VanDerWaalsContact CB-CD2 3.41Å; D298-H303 WeakPolarHBondContact CB-CD2 3.39Å; D298-H303 IonicContact OD2-CD2 3.3Å
299S97Very high97.4Very high129 Ų12937.5 Ų37.590%0.90220%0.2SC*.SBendtrans-72.3-21.3-178.959.20000112.8W301S299-W301 PolarHBondContact O-N 3.49Å
300C97.7Very high97.2Very high61 Ų6137.6 Ų37.641%0.41220%0.201SC..  trans-80.3109.6172.2-178.50000109.9D298 R302 H303 S304D298-C300 VanDerWaalsContact C-N 3.26Å; D298-C300 PolarHBondContact O-N 2.89Å; D298-C300 WeakPolarHBondContact OD1-CB 2.99Å; D298-C300 PolarHBondContact OD1-N 3.14Å; C300-R302 PolarHBondContact O-N 3.25Å; C300-H303 HydrophobicContact CB-CB 3.86Å; C300-H303 WeakPolarHBondContact O-CB 3.49Å; C300-H303 PolarHBondContact O-N 2.58Å; C300-S304 PolarHBondContact O-N 3.13Å
301W98Very high97.1Very high65 Ų6537.4 Ų37.425%0.24620%0.198CC..Hα-helixtrans-53.4-41.7178.2-17795.6000112.6S299 H303 S304 A305 K347 A348 K351 I357S299-W301 PolarHBondContact O-N 3.49Å; W301-H303 VanDerWaalsContact C-N 3.34Å; W301-H303 PolarHBondContact O-N 2.9Å; W301-S304 PolarHBondContact O-N 3.22Å; W301-A305 HydrophobicContact CD2-CB 4.22Å; W301-A305 HydrophobicContact CE3-CB 4.09Å; W301-A305 HydrophobicContact CH2-CB 3.5Å; W301-A305 HydrophobicContact CZ2-CB 3.72Å; W301-A305 HydrophobicContact CZ3-CB 3.75Å; W301-A305 WeakPolarHBondContact O-CB 3.3Å; W301-A305 PolarHBondContact O-N 3.1Å; W301-K347 HydrophobicContact CH2-CB 4.31Å; W301-K347 WeakPolarHBondContact CH2-O 3.48Å; W301-A348 VanDerWaalsContact CH2-CA 3.46Å; W301-A348 HydrophobicContact CH2-CB 4.28Å; W301-A348 HydrophobicContact CZ3-CB 4.22Å; W301-K351 HydrophobicContact CH2-CB 4.47Å; W301-K351 VanDerWaalsContact CZ2-CA 3.44Å; W301-K351 HydrophobicContact CZ2-CB 4.06Å; W301-K351 PolarHBondContact NE1-O 2.77Å; W301-I357 HydrophobicContact CZ2-CD1 3.92Å; W301-I357 HydrophobicContact CZ2-CG1 4.17Å
302R97.5Very high97.1Very high105 Ų10537 Ų3740%0.39619%0.194SC..Hα-helixtrans-59.7-44.1177.5171.9-178.5178.61434111.5C300 G306 T344 D436C300-R302 PolarHBondContact O-N 3.25Å; R302-G306 PolarHBondContact O-N 2.87Å; R302-G306 VanDerWaalsContact O-N 3.09Å; R302-T344 HydrophobicContact CB-CG2 4.42Å; R302-T344 HydrophobicContact CG-CG2 3.77Å; R302-T344 PolarHBondContact NE-OG1 2.73Å; R302-T344 PolarHBondContact NH2-OG1 2.83Å; R302-T344 VanDerWaalsContact NH2-OG1 3.17Å; R302-D436 IonicContact CZ-OD2 3.81Å; R302-D436 IonicContact NH1-OD2 2.77Å; R302-D436 PolarHBondContact NH2-O 3Å; R302-D436 IonicContact NH2-OD2 3.68Å; R302-D436 PolarHBondContact NH2-OD2 2.83Å
303H98Very high97.2Very high45 Ų4535.8 Ų35.821%0.20819%0.188CC..Hα-helixtrans-62.2-55.5177.8-177.496.8000109.7H295 D298 C300 W301 A305 G306 Y307H295-H303 AromaticContact CG-NE2 3.55Å; H295-H303 AromaticContact ND1-CE1 3.77Å; H295-H303 AromaticContact ND1-NE2 3.05Å; H295-H303 PolarHBondContact ND1-NE2 3.24Å; D298-H303 HydrophobicContact CB-CB 4.28Å; D298-H303 VanDerWaalsContact CB-CD2 3.41Å; D298-H303 WeakPolarHBondContact CB-CD2 3.39Å; D298-H303 IonicContact OD2-CD2 3.3Å; C300-H303 HydrophobicContact CB-CB 3.86Å; C300-H303 WeakPolarHBondContact O-CB 3.49Å; C300-H303 PolarHBondContact O-N 2.58Å; W301-H303 VanDerWaalsContact C-N 3.34Å; W301-H303 PolarHBondContact O-N 2.9Å; H303-A305 PolarHBondContact O-N 3.22Å; H303-G306 PolarHBondContact O-N 2.64Å; H303-Y307 AromaticContact CD2-CE2 3.85Å; H303-Y307 AromaticContact CE1-CE2 3.6Å; H303-Y307 AromaticContact NE2-CD2 3.95Å; H303-Y307 AromaticContact NE2-CE2 3.3Å; H303-Y307 VanDerWaalsContact NE2-CE2 3.3Å; H303-Y307 WeakPolarHBondContact NE2-CE2 3.23Å; H303-Y307 VanDerWaalsContact O-CD2 3.3Å; H303-Y307 WeakPolarHBondContact O-CD2 3.45Å
304S98.1Very high97.2Very high2 Ų236.7 Ų36.71%0.01419%0.192CC..Hα-helixtrans-59.2-43.7-178178.20000112.8P226 H295 Y296 C300 W301 G306 Y307P226-S304 VanDerWaalsContact CB-OG 3.31Å; P226-S304 WeakPolarHBondContact CB-OG 3.47Å; H295-S304 WeakPolarHBondContact O-CA 3.39Å; Y296-S304 WeakPolarHBondContact CA-OG 3.42Å; Y296-S304 PolarHBondContact O-OG 3.31Å; C300-S304 PolarHBondContact O-N 3.13Å; W301-S304 PolarHBondContact O-N 3.22Å; S304-G306 VanDerWaalsContact C-N 3.29Å; S304-G306 PolarHBondContact O-N 3.15Å; S304-Y307 PolarHBondContact O-N 3.07Å
305A98.1Very high97.2Very high1 Ų136.7 Ų36.71%0.00819%0.191CC..Hα-helixtrans-65-29.8176.500000113.3P226 W301 H303 Y307 V308 K347 I357P226-A305 HydrophobicContact CG-CB 4.02Å; W301-A305 HydrophobicContact CD2-CB 4.22Å; W301-A305 HydrophobicContact CE3-CB 4.09Å; W301-A305 HydrophobicContact CH2-CB 3.5Å; W301-A305 HydrophobicContact CZ2-CB 3.72Å; W301-A305 HydrophobicContact CZ3-CB 3.75Å; W301-A305 WeakPolarHBondContact O-CB 3.3Å; W301-A305 PolarHBondContact O-N 3.1Å; H303-A305 PolarHBondContact O-N 3.22Å; A305-Y307 PolarHBondContact O-N 2.72Å; A305-V308 WeakPolarHBondContact O-CB 3.32Å; A305-V308 PolarHBondContact O-N 2.85Å; A305-K347 PolarHBondContact O-NZ 3.01Å; A305-I357 HydrophobicContact CB-CD1 4.23Å; A305-I357 HydrophobicContact CB-CG2 4.46Å
306G97.9Very high97.2Very high9 Ų937.6 Ų37.69%0.09320%0.198CC..Hα-helixtrans-61.3-29177.100000113.6R302 H303 S304R302-G306 PolarHBondContact O-N 2.87Å; R302-G306 VanDerWaalsContact O-N 3.09Å; H303-G306 PolarHBondContact O-N 2.64Å; S304-G306 VanDerWaalsContact C-N 3.29Å; S304-G306 PolarHBondContact O-N 3.15Å
307Y98.2Very high97.1Very high9 Ų941.4 Ų41.44%0.03522%0.222CC..THydrogen-bonded Turntrans-91-1.8178.8-71.1-96.9000113.9A291 H295 Y296 H303 S304 A305 L309 L313 F437 I439A291-Y307 HydrophobicContact CB-CD1 4.49Å; A291-Y307 HydrophobicContact CB-CE1 3.92Å; H295-Y307 HydrophobicContact CB-CD1 3.9Å; H295-Y307 HydrophobicContact CB-CD2 3.45Å; H295-Y307 VanDerWaalsContact CB-CD2 3.45Å; H295-Y307 HydrophobicContact CB-CE1 4.08Å; H295-Y307 HydrophobicContact CB-CE2 3.66Å; H295-Y307 HydrophobicContact CB-CG 3.59Å; H295-Y307 AromaticContact CD2-CD1 3.64Å; H295-Y307 AromaticContact CD2-CE1 3.16Å; H295-Y307 WeakPolarHBondContact CD2-CE1 3.29Å; H295-Y307 AromaticContact CD2-CZ 3.39Å; H295-Y307 AromaticContact CG-CD1 3.98Å; H295-Y307 AromaticContact CG-CD2 3.96Å; H295-Y307 AromaticContact CG-CE1 3.66Å; H295-Y307 AromaticContact CG-CE2 3.66Å; H295-Y307 AromaticContact CG-CZ 3.49Å; H295-Y307 VanDerWaalsContact CG-CZ 3.49Å; H295-Y307 AromaticContact ND1-CZ 3.9Å; H295-Y307 AromaticContact NE2-CE1 3.74Å; H295-Y307 AromaticContact NE2-CZ 3.75Å; Y296-Y307 VanDerWaalsContact CE1-C 3.46Å; Y296-Y307 WeakPolarHBondContact CE1-O 3.44Å; Y296-Y307 VanDerWaalsContact CZ-O 3.28Å; Y296-Y307 PolarHBondContact OH-O 2.66Å; H303-Y307 AromaticContact CD2-CE2 3.85Å; H303-Y307 AromaticContact CE1-CE2 3.6Å; H303-Y307 AromaticContact NE2-CD2 3.95Å; H303-Y307 AromaticContact NE2-CE2 3.3Å; H303-Y307 VanDerWaalsContact NE2-CE2 3.3Å; H303-Y307 WeakPolarHBondContact NE2-CE2 3.23Å; H303-Y307 VanDerWaalsContact O-CD2 3.3Å; H303-Y307 WeakPolarHBondContact O-CD2 3.45Å; S304-Y307 PolarHBondContact O-N 3.07Å; A305-Y307 PolarHBondContact O-N 2.72Å; Y307-L309 PolarHBondContact O-N 2.78Å; Y307-L313 HydrophobicContact CD1-CD1 3.99Å; Y307-F437 HydrophobicContact CD2-CE1 4.19Å; Y307-F437 HydrophobicContact CD2-CZ 4.13Å; Y307-F437 AromaticContact CE2-CE1 3.9Å; Y307-F437 HydrophobicContact CE2-CE1 3.9Å; Y307-F437 AromaticContact CE2-CZ 3.66Å; Y307-F437 HydrophobicContact CE2-CZ 3.66Å; Y307-I439 HydrophobicContact CD1-CB 4.01Å; Y307-I439 HydrophobicContact CD1-CG2 3.99Å; Y307-I439 HydrophobicContact CE1-CB 3.62Å; Y307-I439 HydrophobicContact CE1-CG2 4.05Å; Y307-I439 WeakPolarHBondContact CE1-O 3.45Å; Y307-I439 HydrophobicContact CG-CG2 4.33Å; Y307-I439 PolarHBondContact OH-O 2.81Å
308V97.5Very high97.1Very high0 Ų039.8 Ų39.80%022%0.22CC..  trans-60.7113.6-179.1174.50000110.4P226 Y229 Y296 A305 K347 I357 G360P226-V308 HydrophobicContact CB-CG2 3.92Å; Y229-V308 HydrophobicContact CD1-CG1 4.06Å; Y229-V308 HydrophobicContact CD2-CG1 3.63Å; Y229-V308 HydrophobicContact CE1-CG1 4.15Å; Y229-V308 HydrophobicContact CE2-CG1 3.73Å; Y229-V308 HydrophobicContact CG-CG1 3.82Å; Y296-V308 HydrophobicContact CE1-CG2 4.41Å; A305-V308 WeakPolarHBondContact O-CB 3.32Å; A305-V308 PolarHBondContact O-N 2.85Å; V308-K347 PolarHBondContact O-NZ 3.36Å; V308-I357 HydrophobicContact CB-CG2 3.9Å; V308-I357 HydrophobicContact CG1-CB 4.32Å; V308-I357 HydrophobicContact CG1-CG2 3.98Å; V308-I357 HydrophobicContact CG2-CD1 4.21Å; V308-I357 HydrophobicContact CG2-CG2 3.99Å; V308-G360 PolarHBondContact O-N 3.35Å
309L95.8Very high97.2Very high7 Ų737 Ų374%0.03721%0.206CC..  trans-143.9147-174.7-177.666000107.6Y229 L285 A287 Y307 P311 P312 L313 S359 V361Y229-L309 WeakPolarHBondContact CE1-O 3.2Å; L285-L309 HydrophobicContact CD1-CD2 4.2Å; A287-L309 HydrophobicContact CB-CD2 4.33Å; Y307-L309 PolarHBondContact O-N 2.78Å; L309-P311 CarbonylContact C-O 3.57Å; L309-P311 CarbonylContact O-C 3.58Å; L309-P312 WeakPolarHBondContact O-CA 3.35Å; L309-P312 VanDerWaalsContact O-N 3.12Å; L309-L313 HydrophobicContact CD2-CD2 4.05Å; L309-L313 HydrophobicContact CD2-CG 4.39Å; L309-S359 WeakPolarHBondContact CA-OG 3.38Å; L309-V361 HydrophobicContact CB-CG1 4.14Å; L309-V361 HydrophobicContact CD1-CG1 4.41Å; L309-V361 HydrophobicContact CD1-CG2 4.06Å; L309-V361 HydrophobicContact CD2-CG2 4.37Å
310S94.1Very high97.2Very high3 Ų331.4 Ų31.42%0.02117%0.166CC..SBendtrans-123.1124.9173151.30000107.3H204 E206 Y229 Q260 S359H204-S310 PolarHBondContact CE1-O 2.89Å; H204-S310 PolarHBondContact CE1-OG 2.84Å; H204-S310 VanDerWaalsContact CE1-OG 3.23Å; H204-S310 PolarHBondContact NE2-OG 3.41Å; H204-S310 VanDerWaalsContact NE2-OG 3.1Å; E206-S310 PolarHBondContact OE2-OG 3.15Å; Y229-S310 WeakPolarHBondContact OH-CB 3.35Å; Q260-S310 PolarHBondContact NE2-O 2.81Å; S310-S359 PolarHBondContact N-OG 2.72Å
311P96Very high97.2Very high2 Ų231.2 Ų31.21%0.01316%0.161CC..SBendcis-59.7148.5-11.9-12.123.9000111.4E206 E238 T262 L309E206-P311 VanDerWaalsContact CD-CB 3.4Å; E206-P311 VanDerWaalsContact CD-CG 3.48Å; E206-P311 HydrophobicContact CG-CB 3.98Å; E206-P311 HydrophobicContact CG-CG 3.63Å; E206-P311 VanDerWaalsContact OE1-CA 3.25Å; E206-P311 WeakPolarHBondContact OE1-CA 3.34Å; E206-P311 VanDerWaalsContact OE1-CB 3.3Å; E206-P311 WeakPolarHBondContact OE1-CB 3.33Å; E206-P311 VanDerWaalsContact OE2-CA 3.23Å; E206-P311 WeakPolarHBondContact OE2-CA 3.45Å; E206-P311 VanDerWaalsContact OE2-N 3.1Å; E238-P311 HydrophobicContact CG-CG 4.21Å; T262-P311 HydrophobicContact CG2-CB 4.2Å; T262-P311 HydrophobicContact CG2-CG 4.47Å; L309-P311 CarbonylContact C-O 3.57Å; L309-P311 CarbonylContact O-C 3.58Å
312P97.4Very high97.2Very high0 Ų032.3 Ų32.30%017%0.167CC..PPolyproline II helixtrans-66.3154.4178.629.2-37.2000111.2L230 H233 T262 Y296 L309L230-P312 HydrophobicContact CD1-CB 4.24Å; L230-P312 HydrophobicContact CD1-CG 4.32Å; H233-P312 HydrophobicContact CB-CG 3.67Å; H233-P312 WeakPolarHBondContact O-CG 3.41Å; T262-P312 PolarHBondContact OG1-O 3.22Å; Y296-P312 HydrophobicContact CE2-CB 3.89Å; L309-P312 WeakPolarHBondContact O-CA 3.35Å; L309-P312 VanDerWaalsContact O-N 3.12Å
313L97.9Very high97.3Very high3 Ų327.3 Ų27.32%0.01615%0.148CC..PPolyproline II helixtrans-60.1143.6167.2-59.4179.6000109.6A287 A288 A291 G293 Y296 Y307 L309A287-L313 HydrophobicContact CB-CD2 4.13Å; A288-L313 HydrophobicContact CB-CD2 4.15Å; A291-L313 HydrophobicContact CB-CD1 3.99Å; G293-L313 WeakPolarHBondContact CA-O 3.38Å; Y296-L313 HydrophobicContact CE2-CB 4.05Å; Y296-L313 WeakPolarHBondContact CE2-O 3.44Å; Y296-L313 PolarHBondContact OH-N 2.66Å; Y296-L313 VanDerWaalsContact OH-N 3.08Å; Y307-L313 HydrophobicContact CD1-CD1 3.99Å; L309-L313 HydrophobicContact CD2-CD2 4.05Å; L309-L313 HydrophobicContact CD2-CG 4.39Å
314R97.5Very high97.3Very high19 Ų1925.2 Ų25.27%0.07214%0.139CC..PPolyproline II helixtrans-85.8137-175.2-52.9-55.5178.9-172-1.2110.4H233 E238 T262 G293 N316 T319H233-R314 PolarHBondContact O-NH1 3.35Å; E238-R314 IonicContact OE2-CZ 3.91Å; E238-R314 IonicContact OE2-NE 2.71Å; E238-R314 PolarHBondContact OE2-NE 3.16Å; E238-R314 IonicContact OE2-NH2 3.73Å; E238-R314 PolarHBondContact OE2-NH2 3.25Å; T262-R314 WeakPolarHBondContact O-CG 3.48Å; T262-R314 PolarHBondContact OG1-NE 2.7Å; T262-R314 VanDerWaalsContact OG1-NE 3.07Å; G293-R314 PolarHBondContact N-O 3.07Å; R314-N316 PolarHBondContact O-N 2.94Å; R314-N316 VanDerWaalsContact O-N 3.14Å; R314-T319 HydrophobicContact CB-CG2 3.95Å; R314-T319 HydrophobicContact CG-CG2 4.15Å
315V97Very high97.3Very high67 Ų6731 Ų3141%0.40616%0.16SC..SBendtrans-65.4-14.2-176.1-66.80000115.2L230 P317L230-V315 HydrophobicContact CD1-CG1 4.04Å; L230-V315 HydrophobicContact CD2-CG1 3.34Å; L230-V315 HydrophobicContact CG-CG1 4.28Å; V315-P317 WeakPolarHBondContact O-CD 3.49Å
316N96.6Very high97.4Very high68 Ų6833 Ų3336%0.36417%0.168SC..  trans-78.3116178.4-177.3-24.9000108.5R314 N318 T319R314-N316 PolarHBondContact O-N 2.94Å; R314-N316 VanDerWaalsContact O-N 3.14Å; N316-N318 PolarHBondContact O-N 3.43Å; N316-N318 VanDerWaalsContact O-N 3.09Å; N316-N318 WeakPolarHBondContact OD1-CB 3.42Å; N316-N318 PolarHBondContact OD1-N 3.23Å; N316-T319 VanDerWaalsContact O-CB 3.22Å; N316-T319 WeakPolarHBondContact O-CB 3.33Å; N316-T319 PolarHBondContact O-N 3Å; N316-T319 PolarHBondContact O-OG1 3.37Å
317P95Very high97.4Very high80 Ų8032.6 Ų32.652%0.51916%0.164SC..THydrogen-bonded Turntrans-66-14-175.527.2-35.9000113.6D292 V315 T319 P320D292-P317 WeakPolarHBondContact OD2-CA 3.38Å; V315-P317 WeakPolarHBondContact O-CD 3.49Å; P317-T319 VanDerWaalsContact C-N 3.32Å; P317-P320 WeakPolarHBondContact O-CD 3.21Å
318N96.8Very high97.4Very high94 Ų9434.1 Ų34.150%0.50318%0.175SC..THydrogen-bonded Turntrans-86.70173.1-62-32.2000113N316 D321 K322N316-N318 PolarHBondContact O-N 3.43Å; N316-N318 VanDerWaalsContact O-N 3.09Å; N316-N318 WeakPolarHBondContact OD1-CB 3.42Å; N316-N318 PolarHBondContact OD1-N 3.23Å; N318-D321 PolarHBondContact O-N 3.39Å; N318-K322 WeakPolarHBondContact O-CG 3.33Å; N318-K322 PolarHBondContact O-N 2.83Å; N318-K322 VanDerWaalsContact O-N 3.13Å
319T98.1Very high97.4Very high9 Ų938.9 Ų38.96%0.05521%0.205CC..Hα-helixtrans-59.6-45179.4-57.50000112.6T262 P264 R314 N316 P317 D321 K322 L323T262-T319 WeakPolarHBondContact O-CG2 3.3Å; P264-T319 HydrophobicContact CG-CG2 3.92Å; R314-T319 HydrophobicContact CB-CG2 3.95Å; R314-T319 HydrophobicContact CG-CG2 4.15Å; N316-T319 VanDerWaalsContact O-CB 3.22Å; N316-T319 WeakPolarHBondContact O-CB 3.33Å; N316-T319 PolarHBondContact O-N 3Å; N316-T319 PolarHBondContact O-OG1 3.37Å; P317-T319 VanDerWaalsContact C-N 3.32Å; T319-D321 PolarHBondContact O-N 3.48Å; T319-K322 WeakPolarHBondContact O-CB 3.41Å; T319-K322 PolarHBondContact O-N 3.35Å; T319-K322 VanDerWaalsContact O-N 3.07Å; T319-L323 HydrophobicContact CG2-CD1 3.96Å; T319-L323 HydrophobicContact CG2-CG 4.18Å; T319-L323 PolarHBondContact O-N 3.17Å
320P98.2Very high97.5Very high10 Ų1039 Ų397%0.06521%0.208CC..Hα-helixtrans-53.3-49.5176-29.938.3000113.6A288 L289 P317 K322 L323 M324A288-P320 WeakPolarHBondContact O-CA 3.48Å; L289-P320 WeakPolarHBondContact O-CB 3.41Å; P317-P320 WeakPolarHBondContact O-CD 3.21Å; P320-K322 VanDerWaalsContact C-N 3.28Å; P320-K322 PolarHBondContact O-N 3.05Å; P320-L323 PolarHBondContact O-N 3.43Å; P320-M324 WeakPolarHBondContact O-CB 3.43Å; P320-M324 PolarHBondContact O-N 3.01Å
321D98.1Very high97.7Very high57 Ų5739.6 Ų39.631%0.30521%0.212SC..Hα-helixtrans-63-33.3177.5-72.45.7000112.7N318 T319 R325 F380N318-D321 PolarHBondContact O-N 3.39Å; T319-D321 PolarHBondContact O-N 3.48Å; D321-R325 WeakPolarHBondContact O-CG 3.5Å; D321-R325 PolarHBondContact O-N 2.84Å; D321-R325 PolarHBondContact O-NH1 3.35Å; D321-F380 HydrophobicContact CB-CE2 4.14Å; D321-F380 HydrophobicContact CB-CZ 4.03Å
322K98.3Very high97.8Very high88 Ų8839.5 Ų39.538%0.38321%0.211SC..Hα-helixtrans-69.4-45.7175.5-73178179.5-175.30111P264 N318 T319 P320 M324 R325 Y326P264-K322 HydrophobicContact CB-CB 4.09Å; P264-K322 HydrophobicContact CB-CD 4.35Å; P264-K322 HydrophobicContact CG-CB 3.65Å; P264-K322 HydrophobicContact CG-CD 4Å; N318-K322 WeakPolarHBondContact O-CG 3.33Å; N318-K322 PolarHBondContact O-N 2.83Å; N318-K322 VanDerWaalsContact O-N 3.13Å; T319-K322 WeakPolarHBondContact O-CB 3.41Å; T319-K322 PolarHBondContact O-N 3.35Å; T319-K322 VanDerWaalsContact O-N 3.07Å; P320-K322 VanDerWaalsContact C-N 3.28Å; P320-K322 PolarHBondContact O-N 3.05Å; K322-M324 VanDerWaalsContact C-N 3.33Å; K322-M324 PolarHBondContact O-N 3.06Å; K322-R325 WeakPolarHBondContact O-CB 3.36Å; K322-R325 PolarHBondContact O-N 3.4Å; K322-Y326 WeakPolarHBondContact O-CD2 3.38Å; K322-Y326 PolarHBondContact O-N 2.92Å
323L98.6Very high97.8Very high0 Ų039.9 Ų39.90%021%0.213CC..Hα-helixtrans-61.8-41.3175.5-69.3173.5000111.4V261 P264 A288 L289 T319 P320 R325 Y326 V327 L332V261-L323 HydrophobicContact CG1-CD2 4.26Å; P264-L323 HydrophobicContact CG-CD2 4.42Å; P264-L323 HydrophobicContact CG-CG 4.47Å; A288-L323 HydrophobicContact CB-CD1 3.73Å; L289-L323 HydrophobicContact CD2-CB 3.81Å; T319-L323 HydrophobicContact CG2-CD1 3.96Å; T319-L323 HydrophobicContact CG2-CG 4.18Å; T319-L323 PolarHBondContact O-N 3.17Å; P320-L323 PolarHBondContact O-N 3.43Å; L323-R325 PolarHBondContact O-N 3.38Å; L323-Y326 WeakPolarHBondContact O-CA 3.5Å; L323-Y326 WeakPolarHBondContact O-CB 3.28Å; L323-Y326 PolarHBondContact O-N 3.44Å; L323-V327 PolarHBondContact O-N 3.07Å; L323-L332 HydrophobicContact CD2-CD1 4.04Å
324M98.5Very high97.9Very high1 Ų139.8 Ų39.81%0.00521%0.212CC..Hα-helixtrans-62-28.4177.3-170.657.373.300112.9L289 P320 K322 V327 S328 R374 F380 I381L289-M324 HydrophobicContact CB-CE 4.46Å; L289-M324 HydrophobicContact CD1-CE 3.75Å; L289-M324 HydrophobicContact CD2-CB 4.39Å; L289-M324 HydrophobicContact CD2-CE 4.04Å; L289-M324 HydrophobicContact CG-CE 4.29Å; P320-M324 WeakPolarHBondContact O-CB 3.43Å; P320-M324 PolarHBondContact O-N 3.01Å; K322-M324 VanDerWaalsContact C-N 3.33Å; K322-M324 PolarHBondContact O-N 3.06Å; M324-V327 WeakPolarHBondContact O-CB 3.39Å; M324-V327 PolarHBondContact O-N 3.44Å; M324-V327 HydrophobicContact SD-CB 3.93Å; M324-V327 HydrophobicContact SD-CG1 4Å; M324-V327 HydrophobicContact SD-CG2 4.44Å; M324-S328 PolarHBondContact O-N 3.39Å; M324-R374 HydrophobicContact CE-CB 3.98Å; M324-F380 HydrophobicContact CB-CD2 4.02Å; M324-F380 HydrophobicContact CB-CE2 4.48Å; M324-F380 HydrophobicContact CB-CG 4.32Å; M324-F380 HydrophobicContact CG-CB 3.53Å; M324-F380 HydrophobicContact CG-CD2 3.57Å; M324-F380 HydrophobicContact CG-CE2 4.47Å; M324-F380 HydrophobicContact CG-CG 3.7Å; M324-I381 HydrophobicContact SD-CD1 4.44Å
325R98.4Very high97.9Very high124 Ų12439 Ų3947%0.46821%0.209SC..Hα-helixtrans-67.6-34.6170-69175-177.395-5.1113D321 K322 L323 V327 S328 T329 F380D321-R325 WeakPolarHBondContact O-CG 3.5Å; D321-R325 PolarHBondContact O-N 2.84Å; D321-R325 PolarHBondContact O-NH1 3.35Å; K322-R325 WeakPolarHBondContact O-CB 3.36Å; K322-R325 PolarHBondContact O-N 3.4Å; L323-R325 PolarHBondContact O-N 3.38Å; R325-V327 VanDerWaalsContact C-N 3.35Å; R325-S328 PolarHBondContact O-OG 2.87Å; R325-T329 WeakPolarHBondContact O-CG2 3.43Å; R325-T329 PolarHBondContact O-N 3.2Å; R325-T329 VanDerWaalsContact O-N 3.12Å; R325-T329 PolarHBondContact O-OG1 2.9Å; R325-F380 HydrophobicContact CG-CD1 4.01Å; R325-F380 HydrophobicContact CG-CE1 3.63Å; R325-F380 HydrophobicContact CG-CZ 4.45Å
326Y98.6Very high98Very high43 Ų4335.8 Ų35.817%0.16919%0.19CC..Hα-helixtrans-72.6-31.4172.5-67.2-80.6000111.8P264 A267 D268 K322 L323 T329 G330 V331 L332P264-Y326 HydrophobicContact CB-CE2 4.05Å; A267-Y326 HydrophobicContact CB-CD1 3.88Å; A267-Y326 HydrophobicContact CB-CD2 3.71Å; A267-Y326 HydrophobicContact CB-CE1 4.07Å; A267-Y326 HydrophobicContact CB-CE2 3.96Å; A267-Y326 HydrophobicContact CB-CG 3.69Å; D268-Y326 VanDerWaalsContact CG-OH 3.26Å; D268-Y326 PolarHBondContact OD1-OH 3.21Å; K322-Y326 WeakPolarHBondContact O-CD2 3.38Å; K322-Y326 PolarHBondContact O-N 2.92Å; L323-Y326 WeakPolarHBondContact O-CA 3.5Å; L323-Y326 WeakPolarHBondContact O-CB 3.28Å; L323-Y326 PolarHBondContact O-N 3.44Å; Y326-T329 WeakPolarHBondContact CA-OG1 3.22Å; Y326-T329 PolarHBondContact O-OG1 3.18Å; Y326-G330 PolarHBondContact O-N 3.2Å; Y326-G330 VanDerWaalsContact O-N 3.14Å; Y326-V331 HydrophobicContact CD1-CB 3.87Å; Y326-V331 HydrophobicContact CD1-CG1 3.8Å; Y326-V331 HydrophobicContact CD1-CG2 4.09Å; Y326-V331 HydrophobicContact CG-CB 4.45Å; Y326-V331 PolarHBondContact O-N 2.91Å; Y326-L332 PolarHBondContact O-N 2.92Å; Y326-L332 VanDerWaalsContact O-N 3.07Å
327V98.7Very high98.1Very high1 Ų132.5 Ų32.51%0.00617%0.173CC..Hα-helixtrans-64.1-48.4170.5177.20000110.4T284 L323 M324 R325 T329 G330 L332 T335 K385 V389T284-V327 HydrophobicContact CG2-CG2 3.89Å; L323-V327 PolarHBondContact O-N 3.07Å; M324-V327 WeakPolarHBondContact O-CB 3.39Å; M324-V327 PolarHBondContact O-N 3.44Å; M324-V327 HydrophobicContact SD-CB 3.93Å; M324-V327 HydrophobicContact SD-CG1 4Å; M324-V327 HydrophobicContact SD-CG2 4.44Å; R325-V327 VanDerWaalsContact C-N 3.35Å; V327-T329 PolarHBondContact O-N 3.4Å; V327-G330 PolarHBondContact O-N 3.41Å; V327-G330 VanDerWaalsContact O-N 3.08Å; V327-L332 WeakPolarHBondContact CA-O 3.38Å; V327-L332 HydrophobicContact CG2-CB 3.97Å; V327-L332 HydrophobicContact CG2-CD1 4.36Å; V327-T335 HydrophobicContact CG1-CG2 4.5Å; V327-K385 WeakPolarHBondContact O-CE 3.4Å; V327-K385 PolarHBondContact O-NZ 2.91Å; V327-V389 HydrophobicContact CG1-CB 4.22Å; V327-V389 HydrophobicContact CG1-CG1 3.82Å; V327-V389 HydrophobicContact CG1-CG2 4.12Å
328S98.5Very high98.1Very high40 Ų4029 Ų2928%0.2815%0.151SC..Hα-helixtrans-61.2-43.2-178.672.30000112.4M324 R325 G330 F380 K385M324-S328 PolarHBondContact O-N 3.39Å; R325-S328 PolarHBondContact O-OG 2.87Å; S328-G330 VanDerWaalsContact C-N 3.27Å; S328-G330 PolarHBondContact O-N 2.8Å; S328-F380 WeakPolarHBondContact CB-O 3.28Å; S328-K385 WeakPolarHBondContact O-CE 3.48Å; S328-K385 PolarHBondContact O-NZ 3.15Å
329T97.5Very high98.2Very high100 Ų10024.6 Ų24.661%0.61313%0.127SC*.Hα-helixtrans-75.4-10.5177.155.10000114.2R325 Y326 V327R325-T329 WeakPolarHBondContact O-CG2 3.43Å; R325-T329 PolarHBondContact O-N 3.2Å; R325-T329 VanDerWaalsContact O-N 3.12Å; R325-T329 PolarHBondContact O-OG1 2.9Å; Y326-T329 WeakPolarHBondContact CA-OG1 3.22Å; Y326-T329 PolarHBondContact O-OG1 3.18Å; V327-T329 PolarHBondContact O-N 3.4Å
330G97.1Very high98.1Very high11 Ų1125 Ų2511%0.11313%0.13CC..THydrogen-bonded Turntrans75.223.4-179.600000114.6R274 Y326 V327 S328 E333R274-G330 PolarHBondContact NH2-O 3.23Å; Y326-G330 PolarHBondContact O-N 3.2Å; Y326-G330 VanDerWaalsContact O-N 3.14Å; V327-G330 PolarHBondContact O-N 3.41Å; V327-G330 VanDerWaalsContact O-N 3.08Å; S328-G330 VanDerWaalsContact C-N 3.27Å; S328-G330 PolarHBondContact O-N 2.8Å; G330-E333 WeakPolarHBondContact O-CG 3.29Å
331V98.2Very high98.1Very high15 Ų1524.5 Ų24.59%0.09113%0.127CC..SBendtrans-73.8-44.1164.81730000109.7I270 Y326I270-V331 HydrophobicContact CB-CG1 4.21Å; I270-V331 HydrophobicContact CG2-CG1 4Å; Y326-V331 HydrophobicContact CD1-CB 3.87Å; Y326-V331 HydrophobicContact CD1-CG1 3.8Å; Y326-V331 HydrophobicContact CD1-CG2 4.09Å; Y326-V331 HydrophobicContact CG-CB 4.45Å; Y326-V331 PolarHBondContact O-N 2.91Å
332L98.7Very high98Very high0 Ų022.1 Ų22.10%011%0.114CC..EExtended strand (participates in β ladder)trans-97.5111167.3-59.5174.1000107.2V261 A267 I270 G282 T284 L323 Y326 V327V261-L332 HydrophobicContact CB-CD2 4.05Å; V261-L332 HydrophobicContact CG1-CD2 4.24Å; V261-L332 HydrophobicContact CG2-CD2 3.97Å; A267-L332 HydrophobicContact CB-CD1 4.34Å; A267-L332 HydrophobicContact CB-CD2 4.38Å; A267-L332 HydrophobicContact CB-CG 4.46Å; I270-L332 HydrophobicContact CD1-CD2 4.11Å; G282-L332 CarbonylContact O-C 3.53Å; G282-L332 WeakPolarHBondContact O-CA 3.35Å; T284-L332 HydrophobicContact CG2-CD1 4.17Å; L323-L332 HydrophobicContact CD2-CD1 4.04Å; Y326-L332 PolarHBondContact O-N 2.92Å; Y326-L332 VanDerWaalsContact O-N 3.07Å; V327-L332 WeakPolarHBondContact CA-O 3.38Å; V327-L332 HydrophobicContact CG2-CB 3.97Å; V327-L332 HydrophobicContact CG2-CD1 4.36Å
333E98.2Very high97.9Very high8 Ų820.8 Ų20.84%0.03711%0.109CC..EExtended strand (participates in β ladder)trans-93.7-24.6-170.3-61.5-175-129.200112.7R274 V281 G282 G330 N393 Y483R274-E333 IonicContact CZ-OE1 3.37Å; R274-E333 IonicContact NH1-OE1 2.76Å; R274-E333 PolarHBondContact NH1-OE1 3.37Å; R274-E333 IonicContact NH2-OE1 3.92Å; R274-E333 PolarHBondContact NH2-OE1 2.96Å; R274-E333 VanDerWaalsContact NH2-OE1 3.07Å; V281-E333 HydrophobicContact CG1-CB 4.11Å; G282-E333 PolarHBondContact O-N 2.8Å; G330-E333 WeakPolarHBondContact O-CG 3.29Å; E333-N393 WeakPolarHBondContact O-CB 3.27Å; E333-N393 PolarHBondContact O-ND2 3.45Å; E333-Y483 PolarHBondContact OE2-OH 3.18Å
334C98.4Very high97.8Very high1 Ų122.2 Ų22.21%0.00712%0.117CC..EExtended strand (participates in β ladder)trans-123143.5-176-65.30000111.5Y257 G282 E283 T284Y257-C334 WeakPolarHBondContact OH-CB 3.4Å; G282-C334 PolarHBondContact O-N 2.76Å; E283-C334 WeakPolarHBondContact CA-O 3.4Å; E283-C334 HydrophobicContact CB-CB 4.39Å; E283-C334 HydrophobicContact CG-CB 4.4Å; T284-C334 PolarHBondContact N-O 3.14Å; T284-C334 VanDerWaalsContact N-O 3.11Å
335T98.7Very high97.7Very high1 Ų129 Ų291%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-115.6126.7167.257.80000109.5T284 L289 V327 R367 V371 V389T284-T335 HydrophobicContact CG2-CG2 4.28Å; T284-T335 WeakPolarHBondContact O-CA 3.46Å; L289-T335 HydrophobicContact CD1-CG2 3.92Å; V327-T335 HydrophobicContact CG1-CG2 4.5Å; T335-R367 PolarHBondContact O-NH1 3.27Å; T335-V371 HydrophobicContact CG2-CG1 4.42Å; T335-V371 HydrophobicContact CG2-CG2 4.18Å; T335-V389 HydrophobicContact CG2-CB 4.27Å; T335-V389 HydrophobicContact CG2-CG2 4.13Å; T335-V389 PolarHBondContact N-O 3.04Å; T335-V389 PolarHBondContact OG1-O 2.84Å
336A98.7Very high97.6Very high0 Ų024.7 Ų24.70%013%0.134CC..EExtended strand (participates in β ladder)trans-124.6168.4-178.900000111.1P79 H80 E283 T284 L285 A286 R367P79-A336 HydrophobicContact CG-CB 3.91Å; H80-A336 HydrophobicContact CB-CB 3.5Å; E283-A336 VanDerWaalsContact CD-CB 3.49Å; E283-A336 HydrophobicContact CG-CB 3.88Å; T284-A336 PolarHBondContact O-N 3.09Å; L285-A336 CarbonylContact C-O 3.55Å; L285-A336 VanDerWaalsContact CA-O 3.28Å; L285-A336 WeakPolarHBondContact CA-O 3.49Å; L285-A336 HydrophobicContact CD2-CB 4.11Å; A286-A336 PolarHBondContact N-O 3.09Å; A336-R367 VanDerWaalsContact C-CD 3.45Å
337S98.3Very high97.6Very high0 Ų023 Ų230%013%0.128CC..  trans-81.6-35.1173.958.50000112.1D78 H80 H339 G363D78-S337 VanDerWaalsContact CG-OG 3.31Å; D78-S337 PolarHBondContact OD1-N 2.82Å; D78-S337 VanDerWaalsContact OD1-N 3.09Å; D78-S337 PolarHBondContact OD1-OG 3.48Å; D78-S337 WeakPolarHBondContact OD2-CB 3.27Å; D78-S337 PolarHBondContact OD2-N 2.76Å; D78-S337 PolarHBondContact OD2-OG 2.97Å; H80-S337 PolarHBondContact O-OG 3Å; S337-H339 PolarHBondContact O-N 2.98Å; S337-H339 VanDerWaalsContact OG-CB 3.24Å; S337-H339 WeakPolarHBondContact OG-CB 3.31Å; S337-H339 PolarHBondContact OG-N 2.8Å; S337-G363 VanDerWaalsContact CB-C 3.47Å; S337-G363 WeakPolarHBondContact CB-O 3.24Å
338G96.4Very high97.5Very high7 Ų724.5 Ų24.57%0.07214%0.14CC..  trans65.126.2-167.400000111.5H80 C340H80-G338 CarbonylContact O-C 3.57Å; H80-G338 VanDerWaalsContact O-CA 3.24Å; H80-G338 WeakPolarHBondContact O-CA 3.11Å; H80-G338 PolarHBondContact O-N 2.96Å; G338-C340 PolarHBondContact O-N 2.53Å; G338-C340 VanDerWaalsContact O-N 3.12Å
339H98Very high97.4Very high0 Ų026.6 Ų26.60%015%0.151CC..BIsolated β-bridgetrans-64.6114.6-166.9-170.2104.1000111.3H80 C82 F83 D94 S337 T341 G363 V364 E433H80-H339 PolarHBondContact O-N 2.54Å; C82-H339 PolarHBondContact N-O 3.45Å; F83-H339 AromaticContact CE1-CD2 3.47Å; F83-H339 VanDerWaalsContact CE1-CD2 3.47Å; F83-H339 WeakPolarHBondContact CE1-CD2 3.3Å; F83-H339 AromaticContact CE1-NE2 3.99Å; D94-H339 IonicContact OD2-CE1 3.04Å; D94-H339 IonicContact OD2-NE2 2.69Å; D94-H339 PolarHBondContact OD2-NE2 2.84Å; D94-H339 VanDerWaalsContact OD2-NE2 3.14Å; S337-H339 PolarHBondContact O-N 2.98Å; S337-H339 VanDerWaalsContact OG-CB 3.24Å; S337-H339 WeakPolarHBondContact OG-CB 3.31Å; S337-H339 PolarHBondContact OG-N 2.8Å; H339-T341 WeakPolarHBondContact CE1-CG2 3.25Å; H339-T341 VanDerWaalsContact NE2-CG2 3.28Å; H339-T341 WeakPolarHBondContact NE2-CG2 3.47Å; H339-T341 PolarHBondContact NE2-OG1 2.95Å; H339-G363 PolarHBondContact ND1-N 2.89Å; H339-V364 HydrophobicContact CB-CB 3.99Å; H339-V364 WeakPolarHBondContact ND1-CG1 3.25Å; H339-V364 PolarHBondContact ND1-N 3.36Å; H339-E433 IonicContact CE1-OE1 2.78Å; H339-E433 PolarHBondContact CE1-OE1 3.45Å; H339-E433 IonicContact ND1-OE1 3.8Å; H339-E433 PolarHBondContact ND1-OE1 3.09Å
340C96.5Very high97.3Very high17 Ų1721.9 Ų21.912%0.11512%0.122CC..  trans-151.190177-174.70000107C82 G338 G360 V361C82-C340 HydrophobicContact CB-CB 3.99Å; G338-C340 PolarHBondContact O-N 2.53Å; G338-C340 VanDerWaalsContact O-N 3.12Å; C340-G360 CarbonylContact O-C 3.59Å; C340-G360 WeakPolarHBondContact O-CA 3.38Å; C340-V361 PolarHBondContact N-O 3.42Å; C340-V361 PolarHBondContact O-N 3.39Å; C340-V361 VanDerWaalsContact O-N 3.09Å
341T97.1Very high97.3Very high1 Ų126.8 Ų26.81%0.00614%0.14CC..  trans-96.9145.3-166.347.40000112.6T92 S93 D94 H339 N362 V435T92-T341 WeakPolarHBondContact CA-O 3.34Å; S93-T341 PolarHBondContact N-O 3.31Å; S93-T341 VanDerWaalsContact OG-C 3.22Å; S93-T341 WeakPolarHBondContact OG-CB 3.23Å; S93-T341 PolarHBondContact OG-O 3.09Å; S93-T341 PolarHBondContact OG-OG1 2.92Å; D94-T341 PolarHBondContact N-OG1 3.1Å; D94-T341 PolarHBondContact OD2-OG1 2.86Å; H339-T341 WeakPolarHBondContact CE1-CG2 3.25Å; H339-T341 VanDerWaalsContact NE2-CG2 3.28Å; H339-T341 WeakPolarHBondContact NE2-CG2 3.47Å; H339-T341 PolarHBondContact NE2-OG1 2.95Å; T341-N362 HydrophobicContact CG2-CB 3.53Å; T341-V435 HydrophobicContact CG2-CB 4.32Å; T341-V435 HydrophobicContact CG2-CG1 4.11Å
342F96.6Very high97.2Very high7 Ų731 Ų313%0.03116%0.162CC..  trans-138134172.6-59-84.9000108.4C87 F88 L90 T92 Q346 K347 P358 S359C87-F342 HydrophobicContact CB-CE1 4.33Å; C87-F342 HydrophobicContact CB-CZ 3.79Å; F88-F342 HydrophobicContact CD2-CZ 4.1Å; F88-F342 HydrophobicContact CE2-CZ 4.48Å; L90-F342 HydrophobicContact CB-CD1 4.48Å; L90-F342 HydrophobicContact CB-CE1 4.24Å; T92-F342 HydrophobicContact CG2-CZ 4.44Å; F342-Q346 VanDerWaalsContact CA-OE1 3.3Å; F342-Q346 HydrophobicContact CB-CB 3.96Å; F342-Q346 HydrophobicContact CD1-CB 4.41Å; F342-K347 HydrophobicContact CB-CD 4.44Å; F342-K347 HydrophobicContact CB-CG 4.2Å; F342-P358 HydrophobicContact CB-CG 4.11Å; F342-P358 HydrophobicContact CD1-CB 3.86Å; F342-P358 HydrophobicContact CD1-CG 3.99Å; F342-P358 HydrophobicContact CD2-CB 3.79Å; F342-P358 HydrophobicContact CD2-CG 4.11Å; F342-P358 HydrophobicContact CE1-CB 3.84Å; F342-P358 HydrophobicContact CE1-CG 4.46Å; F342-P358 HydrophobicContact CE2-CB 3.77Å; F342-P358 HydrophobicContact CG-CB 3.83Å; F342-P358 HydrophobicContact CG-CG 3.79Å; F342-P358 HydrophobicContact CZ-CB 3.79Å; F342-S359 WeakPolarHBondContact CE2-O 3.48Å
343K96.7Very high97.2Very high60 Ų6031.3 Ų31.326%0.26116%0.164SC..  trans-63.8160.7174.1-65.5-176179.4-174.10111.1E345 Q346 K347 N434 D436K343-E345 HydrophobicContact CB-CG 4.09Å; K343-E345 PolarHBondContact O-N 2.83Å; K343-E345 VanDerWaalsContact O-N 3.17Å; K343-Q346 HydrophobicContact CB-CG 4.41Å; K343-Q346 WeakPolarHBondContact O-CA 3.45Å; K343-Q346 WeakPolarHBondContact O-CB 3.41Å; K343-Q346 PolarHBondContact O-N 3.23Å; K343-K347 PolarHBondContact O-N 3.45Å; K343-N434 WeakPolarHBondContact CE-O 3.29Å; K343-N434 WeakPolarHBondContact CE-OD1 3.35Å; K343-N434 PolarHBondContact NZ-OD1 2.84Å; K343-D436 VanDerWaalsContact CA-OD1 3.31Å; K343-D436 WeakPolarHBondContact CA-OD1 3.18Å
344T96.4Very high97.1Very high29 Ų2931 Ų3118%0.17816%0.162CC..Hα-helixtrans-51.6-41.8177.3-59.10000112.5R302 Q346 K347 A348 D436R302-T344 HydrophobicContact CB-CG2 4.42Å; R302-T344 HydrophobicContact CG-CG2 3.77Å; R302-T344 PolarHBondContact NE-OG1 2.73Å; R302-T344 PolarHBondContact NH2-OG1 2.83Å; R302-T344 VanDerWaalsContact NH2-OG1 3.17Å; T344-Q346 VanDerWaalsContact C-N 3.31Å; T344-Q346 PolarHBondContact O-N 3.26Å; T344-K347 PolarHBondContact O-N 3.28Å; T344-A348 WeakPolarHBondContact O-CB 3.13Å; T344-A348 PolarHBondContact O-N 3.46Å; T344-D436 VanDerWaalsContact CB-OD2 3.28Å; T344-D436 WeakPolarHBondContact CB-OD2 3.46Å; T344-D436 PolarHBondContact N-OD1 3.05Å; T344-D436 VanDerWaalsContact OG1-CG 3.29Å; T344-D436 PolarHBondContact OG1-OD1 3.44Å; T344-D436 PolarHBondContact OG1-OD2 3.45Å
345E96.6Very high96.9Very high144 Ų14434.9 Ų34.967%0.67318%0.177SC*.Hα-helixtrans-63.8-34.2178.265.7-174.2171.300113.1K343 A348K343-E345 HydrophobicContact CB-CG 4.09Å; K343-E345 PolarHBondContact O-N 2.83Å; K343-E345 VanDerWaalsContact O-N 3.17Å; E345-A348 PolarHBondContact O-N 2.82Å
346Q96.8Very high96.8Very high33 Ų3340.8 Ų40.815%0.15420%0.203CC..Hα-helixtrans-74.4-41.4176.8-62.6178.6-64.600110.4L90 N91 F342 K343 T344 A348 V349L90-Q346 HydrophobicContact CD1-CB 4.25Å; N91-Q346 PolarHBondContact O-NE2 2.92Å; F342-Q346 VanDerWaalsContact CA-OE1 3.3Å; F342-Q346 HydrophobicContact CB-CB 3.96Å; F342-Q346 HydrophobicContact CD1-CB 4.41Å; K343-Q346 HydrophobicContact CB-CG 4.41Å; K343-Q346 WeakPolarHBondContact O-CA 3.45Å; K343-Q346 WeakPolarHBondContact O-CB 3.41Å; K343-Q346 PolarHBondContact O-N 3.23Å; T344-Q346 VanDerWaalsContact C-N 3.31Å; T344-Q346 PolarHBondContact O-N 3.26Å; Q346-A348 VanDerWaalsContact C-N 3.25Å; Q346-A348 PolarHBondContact O-N 3.45Å; Q346-V349 WeakPolarHBondContact O-CB 3.38Å; Q346-V349 WeakPolarHBondContact O-CG2 3.39Å; Q346-V349 PolarHBondContact O-N 2.83Å
347K97.3Very high96.6Very high8 Ų840.9 Ų40.94%0.03520%0.203CC..Hα-helixtrans-58.7-39.4172.3-70-79.7-173.3171.20111.2W301 A305 V308 F342 K343 T344 V349 G350 I357 P358 G360W301-K347 HydrophobicContact CH2-CB 4.31Å; W301-K347 WeakPolarHBondContact CH2-O 3.48Å; A305-K347 PolarHBondContact O-NZ 3.01Å; V308-K347 PolarHBondContact O-NZ 3.36Å; F342-K347 HydrophobicContact CB-CD 4.44Å; F342-K347 HydrophobicContact CB-CG 4.2Å; K343-K347 PolarHBondContact O-N 3.45Å; T344-K347 PolarHBondContact O-N 3.28Å; K347-V349 PolarHBondContact O-N 2.81Å; K347-G350 PolarHBondContact O-N 3Å; K347-G350 VanDerWaalsContact O-N 3.09Å; K347-I357 HydrophobicContact CB-CG2 4.46Å; K347-I357 HydrophobicContact CD-CG2 3.56Å; K347-P358 HydrophobicContact CD-CG 4.15Å; K347-P358 WeakPolarHBondContact CD-O 3.3Å; K347-P358 WeakPolarHBondContact CE-O 3.3Å; K347-P358 PolarHBondContact NZ-O 2.83Å; K347-G360 PolarHBondContact NZ-O 2.91Å
348A97.2Very high96.4Very high32 Ų3240.9 Ų40.926%0.26420%0.203SC..G310 helixtrans-63-10-176.900000115.3W301 T344 E345 Q346 G350 K351W301-A348 VanDerWaalsContact CH2-CA 3.46Å; W301-A348 HydrophobicContact CH2-CB 4.28Å; W301-A348 HydrophobicContact CZ3-CB 4.22Å; T344-A348 WeakPolarHBondContact O-CB 3.13Å; T344-A348 PolarHBondContact O-N 3.46Å; E345-A348 PolarHBondContact O-N 2.82Å; Q346-A348 VanDerWaalsContact C-N 3.25Å; Q346-A348 PolarHBondContact O-N 3.45Å; A348-G350 PolarHBondContact O-N 3.48Å; A348-K351 VanDerWaalsContact O-CB 3.32Å; A348-K351 WeakPolarHBondContact O-CB 3.11Å; A348-K351 WeakPolarHBondContact O-CG 3.28Å; A348-K351 PolarHBondContact O-N 3.15Å
349V95.9Very high96.4Very high85 Ų8541.1 Ų41.152%0.51520%0.204SC..G310 helixtrans-54.9-30.4167.6175.70000111.5L90 Q346 K347 K356L90-V349 HydrophobicContact CD1-CG2 4.19Å; Q346-V349 WeakPolarHBondContact O-CB 3.38Å; Q346-V349 WeakPolarHBondContact O-CG2 3.39Å; Q346-V349 PolarHBondContact O-N 2.83Å; K347-V349 PolarHBondContact O-N 2.81Å; V349-K356 HydrophobicContact CG1-CB 4.49Å
350G95.8Very high96.2Very high0 Ų041.3 Ų41.30%021%0.206CC..G310 helixtrans-98.221175.700000115.9K347 A348 D352 D353K347-G350 PolarHBondContact O-N 3Å; K347-G350 VanDerWaalsContact O-N 3.09Å; A348-G350 PolarHBondContact O-N 3.48Å; G350-D352 PolarHBondContact O-N 3.18Å; G350-D353 CarbonylContact C-O 3.42Å; G350-D353 VanDerWaalsContact CA-O 3.22Å; G350-D353 WeakPolarHBondContact CA-O 3.41Å; G350-D353 CarbonylContact O-C 3.25Å; G350-D353 VanDerWaalsContact O-C 3.25Å; G350-D353 PolarHBondContact O-N 3.02Å; G350-D353 VanDerWaalsContact O-N 3.11Å
351K97Very high96.3Very high115 Ų11540.8 Ų40.850%0.520%0.202SC..THydrogen-bonded Turntrans-57.5-31.3-176.269.6-175.8-175.366.30115W301 A348W301-K351 HydrophobicContact CH2-CB 4.47Å; W301-K351 VanDerWaalsContact CZ2-CA 3.44Å; W301-K351 HydrophobicContact CZ2-CB 4.06Å; W301-K351 PolarHBondContact NE1-O 2.77Å; A348-K351 VanDerWaalsContact O-CB 3.32Å; A348-K351 WeakPolarHBondContact O-CB 3.11Å; A348-K351 WeakPolarHBondContact O-CG 3.28Å; A348-K351 PolarHBondContact O-N 3.15Å
352D96.9Very high96.3Very high102 Ų10240.9 Ų40.955%0.54520%0.202SC..THydrogen-bonded Turntrans-112.35.8178.7-48.3-56.7000112.3T224 G350T224-D352 WeakPolarHBondContact CB-O 3.05Å; G350-D352 PolarHBondContact O-N 3.18Å
353D97.4Very high96.4Very high8 Ų840.6 Ų40.64%0.04320%0.201CC..  trans-159.898.3-177.4-174-10.1000110.1Y219 G350 R355 K356Y219-D353 HydrophobicContact CE2-CB 3.88Å; Y219-D353 VanDerWaalsContact CE2-CG 3.5Å; G350-D353 CarbonylContact C-O 3.42Å; G350-D353 VanDerWaalsContact CA-O 3.22Å; G350-D353 WeakPolarHBondContact CA-O 3.41Å; G350-D353 CarbonylContact O-C 3.25Å; G350-D353 VanDerWaalsContact O-C 3.25Å; G350-D353 PolarHBondContact O-N 3.02Å; G350-D353 VanDerWaalsContact O-N 3.11Å; D353-R355 PolarHBondContact O-N 2.89Å; D353-R355 VanDerWaalsContact OD1-CB 3.32Å; D353-R355 WeakPolarHBondContact OD1-CB 3.38Å; D353-R355 WeakPolarHBondContact OD1-CG 3.5Å; D353-R355 IonicContact OD1-CZ 3.44Å; D353-R355 PolarHBondContact OD1-N 3.43Å; D353-R355 IonicContact OD1-NE 2.84Å; D353-R355 PolarHBondContact OD1-NE 3.04Å; D353-R355 IonicContact OD1-NH2 3.77Å; D353-R355 PolarHBondContact OD1-NH2 3.48Å; D353-R355 IonicContact OD2-CZ 3.48Å; D353-R355 IonicContact OD2-NE 3.16Å; D353-R355 PolarHBondContact OD2-NE 2.6Å; D353-R355 IonicContact OD2-NH2 3.34Å; D353-R355 PolarHBondContact OD2-NH2 2.6Å; D353-K356 HydrophobicContact CB-CD 4.1Å; D353-K356 HydrophobicContact CB-CG 4.27Å; D353-K356 WeakPolarHBondContact O-CB 3.4Å; D353-K356 PolarHBondContact O-N 3.12Å; D353-K356 VanDerWaalsContact OD2-CE 3.3Å; D353-K356 WeakPolarHBondContact OD2-CE 3.4Å; D353-K356 IonicContact OD2-NZ 3.72Å
354F96.8Very high96.5Very high0 Ų037.7 Ų37.70%019%0.188CC..G310 helixtrans-54.4-26.4-177.871.6-94.8000114.4E215 I218 Y219 I223 T224 G225 G228 Y229 S232 K356 I357E215-F354 HydrophobicContact CB-CE2 4.49Å; E215-F354 HydrophobicContact CG-CE2 4.16Å; I218-F354 HydrophobicContact CB-CZ 4.28Å; I218-F354 HydrophobicContact CG2-CE1 3.91Å; I218-F354 HydrophobicContact CG2-CZ 3.96Å; Y219-F354 HydrophobicContact CD2-CE1 4.48Å; I223-F354 WeakPolarHBondContact O-CD1 3.38Å; I223-F354 VanDerWaalsContact O-CE1 3.24Å; I223-F354 WeakPolarHBondContact O-CE1 3.16Å; T224-F354 PolarHBondContact O-N 3.46Å; G225-F354 VanDerWaalsContact O-CB 3.22Å; G225-F354 WeakPolarHBondContact O-CB 3.15Å; G228-F354 VanDerWaalsContact C-CD2 3.5Å; G228-F354 VanDerWaalsContact C-CE2 3.45Å; G228-F354 WeakPolarHBondContact O-CE2 3.41Å; Y229-F354 HydrophobicContact CD2-CD2 4.16Å; Y229-F354 VanDerWaalsContact N-CD2 3.27Å; S232-F354 WeakPolarHBondContact OG-CE2 3.22Å; F354-K356 PolarHBondContact O-N 3.12Å; F354-I357 HydrophobicContact CB-CD1 4.2Å; F354-I357 WeakPolarHBondContact O-CB 3.15Å; F354-I357 PolarHBondContact O-N 3.32Å; F354-I357 VanDerWaalsContact O-N 3.14Å
355R94.6Very high96.6Very high84 Ų8436.9 Ų36.932%0.31718%0.182SC..G310 helixtrans-66.8-19.6178.8-55.3170.9-63-175.10.6112.3E215 Y219 D353E215-R355 HydrophobicContact CB-CG 4.14Å; E215-R355 HydrophobicContact CG-CG 4.44Å; Y219-R355 VanDerWaalsContact CE1-NH2 3.33Å; Y219-R355 VanDerWaalsContact CG-CZ 3.44Å; D353-R355 PolarHBondContact O-N 2.89Å; D353-R355 VanDerWaalsContact OD1-CB 3.32Å; D353-R355 WeakPolarHBondContact OD1-CB 3.38Å; D353-R355 WeakPolarHBondContact OD1-CG 3.5Å; D353-R355 IonicContact OD1-CZ 3.44Å; D353-R355 PolarHBondContact OD1-N 3.43Å; D353-R355 IonicContact OD1-NE 2.84Å; D353-R355 PolarHBondContact OD1-NE 3.04Å; D353-R355 IonicContact OD1-NH2 3.77Å; D353-R355 PolarHBondContact OD1-NH2 3.48Å; D353-R355 IonicContact OD2-CZ 3.48Å; D353-R355 IonicContact OD2-NE 3.16Å; D353-R355 PolarHBondContact OD2-NE 2.6Å; D353-R355 IonicContact OD2-NH2 3.34Å; D353-R355 PolarHBondContact OD2-NH2 2.6Å
356K95Very high96.7Very high125 Ų12530 Ų3054%0.54315%0.151SC..G310 helixtrans-97.7-0.2178.3-60.7179.1-174.3167.10113V349 D353 F354 P358V349-K356 HydrophobicContact CG1-CB 4.49Å; D353-K356 HydrophobicContact CB-CD 4.1Å; D353-K356 HydrophobicContact CB-CG 4.27Å; D353-K356 WeakPolarHBondContact O-CB 3.4Å; D353-K356 PolarHBondContact O-N 3.12Å; D353-K356 VanDerWaalsContact OD2-CE 3.3Å; D353-K356 WeakPolarHBondContact OD2-CE 3.4Å; D353-K356 IonicContact OD2-NZ 3.72Å; F354-K356 PolarHBondContact O-N 3.12Å; K356-P358 WeakPolarHBondContact O-CD 3.41Å
357I95.8Very high96.8Very high1 Ų128.5 Ų28.51%0.00514%0.143CC..SBendtrans-72.1118.5172.2-58.5173.6000107.1P226 W301 A305 V308 K347 F354 S359P226-I357 HydrophobicContact CB-CD1 3.83Å; P226-I357 HydrophobicContact CG-CD1 3.82Å; W301-I357 HydrophobicContact CZ2-CD1 3.92Å; W301-I357 HydrophobicContact CZ2-CG1 4.17Å; A305-I357 HydrophobicContact CB-CD1 4.23Å; A305-I357 HydrophobicContact CB-CG2 4.46Å; V308-I357 HydrophobicContact CB-CG2 3.9Å; V308-I357 HydrophobicContact CG1-CB 4.32Å; V308-I357 HydrophobicContact CG1-CG2 3.98Å; V308-I357 HydrophobicContact CG2-CD1 4.21Å; V308-I357 HydrophobicContact CG2-CG2 3.99Å; K347-I357 HydrophobicContact CB-CG2 4.46Å; K347-I357 HydrophobicContact CD-CG2 3.56Å; F354-I357 HydrophobicContact CB-CD1 4.2Å; F354-I357 WeakPolarHBondContact O-CB 3.15Å; F354-I357 PolarHBondContact O-N 3.32Å; F354-I357 VanDerWaalsContact O-N 3.14Å; I357-S359 PolarHBondContact O-N 3.02Å
358P94.7Very high96.9Very high0 Ų028.1 Ų28.10%014%0.142CC..PPolyproline II helixtrans-60.2122.6175.625.2-34.9000109.8F88 L90 F342 K347 K356F88-P358 HydrophobicContact CB-CB 4.29Å; F88-P358 HydrophobicContact CD2-CB 3.79Å; F88-P358 HydrophobicContact CE2-CB 4.46Å; F88-P358 HydrophobicContact CG-CB 4.16Å; L90-P358 HydrophobicContact CD1-CB 4.33Å; L90-P358 HydrophobicContact CD1-CG 3.99Å; F342-P358 HydrophobicContact CB-CG 4.11Å; F342-P358 HydrophobicContact CD1-CB 3.86Å; F342-P358 HydrophobicContact CD1-CG 3.99Å; F342-P358 HydrophobicContact CD2-CB 3.79Å; F342-P358 HydrophobicContact CD2-CG 4.11Å; F342-P358 HydrophobicContact CE1-CB 3.84Å; F342-P358 HydrophobicContact CE1-CG 4.46Å; F342-P358 HydrophobicContact CE2-CB 3.77Å; F342-P358 HydrophobicContact CG-CB 3.83Å; F342-P358 HydrophobicContact CG-CG 3.79Å; F342-P358 HydrophobicContact CZ-CB 3.79Å; K347-P358 HydrophobicContact CD-CG 4.15Å; K347-P358 WeakPolarHBondContact CD-O 3.3Å; K347-P358 WeakPolarHBondContact CE-O 3.3Å; K347-P358 PolarHBondContact NZ-O 2.83Å; K356-P358 WeakPolarHBondContact O-CD 3.41Å
359S94.5Very high96.9Very high13 Ų1326.6 Ų26.69%0.09113%0.129CC..PPolyproline II helixtrans-78131.9-179.6167.90000110.8Y229 L309 S310 F342 I357Y229-S359 WeakPolarHBondContact OH-CB 3.38Å; L309-S359 WeakPolarHBondContact CA-OG 3.38Å; S310-S359 PolarHBondContact N-OG 2.72Å; F342-S359 WeakPolarHBondContact CE2-O 3.48Å; I357-S359 PolarHBondContact O-N 3.02Å
360G95.3Very high97.1Very high4 Ų422.6 Ų22.64%0.04111%0.105CC..  trans151150-179.600000112.2V308 C340 K347V308-G360 PolarHBondContact O-N 3.35Å; C340-G360 CarbonylContact O-C 3.59Å; C340-G360 WeakPolarHBondContact O-CA 3.38Å; K347-G360 PolarHBondContact NZ-O 2.91Å
361V97.6Very high97.2Very high5 Ų522.6 Ų22.63%0.0311%0.105CC..BIsolated β-bridgetrans-137.1169.2-176.3-59.50000110.7A287 L309 C340 I439A287-V361 HydrophobicContact CB-CG2 4.04Å; L309-V361 HydrophobicContact CB-CG1 4.14Å; L309-V361 HydrophobicContact CD1-CG1 4.41Å; L309-V361 HydrophobicContact CD1-CG2 4.06Å; L309-V361 HydrophobicContact CD2-CG2 4.37Å; C340-V361 PolarHBondContact N-O 3.42Å; C340-V361 PolarHBondContact O-N 3.39Å; C340-V361 VanDerWaalsContact O-N 3.09Å; V361-I439 HydrophobicContact CB-CD1 4.11Å; V361-I439 HydrophobicContact CB-CG2 4Å; V361-I439 HydrophobicContact CG1-CG2 4.02Å; V361-I439 HydrophobicContact CG2-CD1 4.02Å
362N98.2Very high97.3Very high4 Ų417.6 Ų17.62%0.0218%0.083CC..  trans-89.1175.8176.780.2-72.2000112.2T341 E433 V435 N438 I439T341-N362 HydrophobicContact CG2-CB 3.53Å; N362-E433 WeakPolarHBondContact CB-OE2 3.35Å; N362-E433 PolarHBondContact ND2-OE2 2.71Å; N362-V435 HydrophobicContact CB-CG1 4.16Å; N362-N438 PolarHBondContact ND2-ND2 3.01Å; N362-N438 PolarHBondContact ND2-OD1 3.21Å; N362-N438 VanDerWaalsContact ND2-OD1 3.14Å; N362-N438 WeakPolarHBondContact OD1-CA 3.35Å; N362-I439 WeakPolarHBondContact OD1-CG1 3.29Å; N362-I439 PolarHBondContact OD1-N 3.17Å
363G97.9Very high97.4Very high0 Ų014.8 Ų14.80%07%0.067CC..  trans143.79.5173.800000116.3S337 H339 E365 D366 R367 E433S337-G363 VanDerWaalsContact CB-C 3.47Å; S337-G363 WeakPolarHBondContact CB-O 3.24Å; H339-G363 PolarHBondContact ND1-N 2.89Å; G363-E365 VanDerWaalsContact C-N 3.31Å; G363-D366 PolarHBondContact O-N 3.49Å; G363-R367 VanDerWaalsContact O-CB 3.27Å; G363-R367 WeakPolarHBondContact O-CB 3.45Å; G363-R367 PolarHBondContact O-N 3.08Å; G363-E433 PolarHBondContact N-OE1 3.49Å; G363-E433 VanDerWaalsContact N-OE1 3.1Å
364V98.6Very high97.4Very high0 Ų018.2 Ų18.20%08%0.079CC..THydrogen-bonded Turntrans-71.2-34.3-179.170.50000110.5T81 F83 A102 A103 H339 E433T81-V364 HydrophobicContact CG2-CG2 4.27Å; F83-V364 HydrophobicContact CZ-CG2 4.29Å; A102-V364 HydrophobicContact CB-CG1 3.78Å; A103-V364 HydrophobicContact CB-CG2 3.63Å; H339-V364 HydrophobicContact CB-CB 3.99Å; H339-V364 WeakPolarHBondContact ND1-CG1 3.25Å; H339-V364 PolarHBondContact ND1-N 3.36Å; V364-E433 HydrophobicContact CG1-CG 4.37Å; V364-E433 PolarHBondContact N-OE1 3.02Å; V364-E433 VanDerWaalsContact N-OE1 3.16Å
365E98.6Very high97.5Very high11 Ų1118.2 Ų18.25%0.0518%0.079CC..THydrogen-bonded Turntrans-76.1-39173.2-177170.3174.800111.8A102 A105 G106 G363 H432 E433A102-E365 HydrophobicContact CB-CB 4.19Å; A102-E365 WeakPolarHBondContact O-CA 3.37Å; A102-E365 WeakPolarHBondContact O-CB 3.5Å; A105-E365 HydrophobicContact CB-CG 4.19Å; G106-E365 WeakPolarHBondContact CA-O 3.31Å; G363-E365 VanDerWaalsContact C-N 3.31Å; E365-H432 IonicContact OE1-CE1 3.76Å; E365-H432 IonicContact OE1-CG 3.46Å; E365-H432 IonicContact OE1-ND1 2.88Å; E365-H432 PolarHBondContact OE1-ND1 2.57Å; E365-H432 WeakPolarHBondContact OE2-CB 3.47Å; E365-H432 PolarHBondContact OE2-N 2.96Å; E365-H432 IonicContact OE2-ND1 2.91Å; E365-E433 HydrophobicContact CB-CG 4.3Å
366D98.6Very high97.7Very high1 Ų115.4 Ų15.41%0.0057%0.071CC..THydrogen-bonded Turntrans-89.1-17.1-169-62.3-50.2000114.5G363 M368 S369 V370 R424 I426 N438 F440G363-D366 PolarHBondContact O-N 3.49Å; D366-M368 VanDerWaalsContact C-N 3.33Å; D366-M368 PolarHBondContact O-N 3.14Å; D366-S369 PolarHBondContact O-N 3.38Å; D366-V370 HydrophobicContact CB-CG2 4.14Å; D366-V370 WeakPolarHBondContact O-CG2 3.22Å; D366-V370 PolarHBondContact O-N 3.28Å; D366-R424 IonicContact OD1-CZ 3.69Å; D366-R424 IonicContact OD1-NH1 3.57Å; D366-R424 PolarHBondContact OD1-NH1 3.32Å; D366-R424 IonicContact OD1-NH2 3.99Å; D366-R424 PolarHBondContact OD1-NH2 3.1Å; D366-I426 HydrophobicContact CB-CD1 3.97Å; D366-N438 PolarHBondContact OD2-ND2 3.18Å; D366-N438 PolarHBondContact OD2-OD1 2.81Å; D366-F440 HydrophobicContact CB-CD2 3.68Å; D366-F440 HydrophobicContact CB-CE2 3.96Å
367R98.8Very high97.8Very high0 Ų013.2 Ų13.20%06%0.063CC..Hα-helixtrans-46.8-51.1-173.3179179.2721006.6113.3V77 D78 T108 A286 T335 A336 G363 V370 V371 T390V77-R367 PolarHBondContact O-NH1 2.91Å; D78-R367 IonicContact OD2-NE 2.92Å; T108-R367 PolarHBondContact OG1-NH2 3.34Å; A286-R367 HydrophobicContact CB-CB 4.12Å; A286-R367 HydrophobicContact CB-CG 4.15Å; T335-R367 PolarHBondContact O-NH1 3.27Å; A336-R367 VanDerWaalsContact C-CD 3.45Å; G363-R367 VanDerWaalsContact O-CB 3.27Å; G363-R367 WeakPolarHBondContact O-CB 3.45Å; G363-R367 PolarHBondContact O-N 3.08Å; R367-V370 PolarHBondContact O-N 3.09Å; R367-V371 HydrophobicContact CG-CG2 4.44Å; R367-V371 WeakPolarHBondContact O-CB 3.31Å; R367-V371 WeakPolarHBondContact O-CG2 3.31Å; R367-V371 PolarHBondContact O-N 2.91Å; R367-T390 PolarHBondContact NH1-O 3.42Å; R367-T390 PolarHBondContact NH2-O 2.82Å
368M98.8Very high97.9Very high1 Ų116 Ų161%0.0058%0.083CC..Hα-helixtrans-67.1-45.2-174.2-67.1-164.468.300112.2I73 D366 V371 W372 F386 W418I73-M368 HydrophobicContact CD1-CE 3.57Å; D366-M368 VanDerWaalsContact C-N 3.33Å; D366-M368 PolarHBondContact O-N 3.14Å; M368-V371 PolarHBondContact O-N 2.92Å; M368-W372 VanDerWaalsContact O-CB 3.32Å; M368-W372 WeakPolarHBondContact O-CB 3.26Å; M368-W372 PolarHBondContact O-N 3.14Å; M368-F386 HydrophobicContact CB-CZ 4.22Å; M368-F386 HydrophobicContact CE-CE1 3.79Å; M368-F386 HydrophobicContact CE-CZ 3.72Å; M368-F386 WeakPolarHBondContact O-CE2 3.13Å; M368-W418 HydrophobicContact CB-CH2 3.7Å; M368-W418 HydrophobicContact CB-CZ3 3.93Å; M368-W418 HydrophobicContact CE-CZ3 4.41Å
369S98.7Very high98Very high0 Ų019 Ų190%011%0.113CC..Hα-helixtrans-66.6-39.3177-610000112D366 W372 E373 R424 G447D366-S369 PolarHBondContact O-N 3.38Å; S369-W372 PolarHBondContact O-N 3.05Å; S369-E373 WeakPolarHBondContact O-CB 2.94Å; S369-E373 PolarHBondContact O-N 3.05Å; S369-R424 PolarHBondContact OG-NE 3.36Å; S369-R424 VanDerWaalsContact OG-NE 3.15Å; S369-R424 PolarHBondContact OG-NH2 2.71Å; S369-G447 WeakPolarHBondContact CB-O 3.42Å; S369-G447 PolarHBondContact OG-O 3.33Å
370V98.6Very high98.2Very high0 Ų020.9 Ų20.90%012%0.12CC..Hα-helixtrans-63.9-45.6177.7171.50000110.9A286 D366 R367 W372 R374 I426 F440 L443A286-V370 HydrophobicContact CB-CG1 4.43Å; D366-V370 HydrophobicContact CB-CG2 4.14Å; D366-V370 WeakPolarHBondContact O-CG2 3.22Å; D366-V370 PolarHBondContact O-N 3.28Å; R367-V370 PolarHBondContact O-N 3.09Å; V370-W372 VanDerWaalsContact C-N 3.33Å; V370-R374 HydrophobicContact CG1-CG 4.36Å; V370-R374 VanDerWaalsContact O-CB 3.26Å; V370-R374 WeakPolarHBondContact O-CB 3.45Å; V370-R374 WeakPolarHBondContact O-CG 3.46Å; V370-R374 PolarHBondContact O-N 3.17Å; V370-I426 HydrophobicContact CG2-CD1 3.94Å; V370-F440 HydrophobicContact CG1-CE1 4.23Å; V370-F440 HydrophobicContact CG2-CD1 4.03Å; V370-F440 HydrophobicContact CG2-CD2 4.11Å; V370-F440 HydrophobicContact CG2-CE1 4.15Å; V370-F440 HydrophobicContact CG2-CE2 4.22Å; V370-F440 HydrophobicContact CG2-CG 4Å; V370-F440 HydrophobicContact CG2-CZ 4.24Å; V370-L443 HydrophobicContact CG2-CD2 4.17Å
371V98.8Very high98.3Very high0 Ų021.3 Ų21.30%012%0.121CC..Hα-helixtrans-67.1-35.7177.4176.60000111.1L289 T335 R367 M368 G375 F386 V389 T390L289-V371 HydrophobicContact CD1-CG2 4.08Å; T335-V371 HydrophobicContact CG2-CG1 4.42Å; T335-V371 HydrophobicContact CG2-CG2 4.18Å; R367-V371 HydrophobicContact CG-CG2 4.44Å; R367-V371 WeakPolarHBondContact O-CB 3.31Å; R367-V371 WeakPolarHBondContact O-CG2 3.31Å; R367-V371 PolarHBondContact O-N 2.91Å; M368-V371 PolarHBondContact O-N 2.92Å; V371-G375 VanDerWaalsContact O-CA 3.32Å; V371-G375 WeakPolarHBondContact O-CA 3.4Å; V371-G375 PolarHBondContact O-N 2.94Å; V371-F386 HydrophobicContact CB-CD2 4.49Å; V371-F386 HydrophobicContact CB-CE2 4.15Å; V371-F386 HydrophobicContact CG1-CD2 3.92Å; V371-F386 HydrophobicContact CG1-CE2 4.06Å; V371-V389 HydrophobicContact CG1-CG2 4.31Å; V371-T390 HydrophobicContact CB-CG2 4.37Å; V371-T390 HydrophobicContact CG1-CG2 4Å
372W98.8Very high98.4Very high10 Ų1025.3 Ų25.34%0.03814%0.143CC..Iπ-helixtrans-63.8-51.5175.1-175.6-87.5000111.9M71 M368 S369 V370 R374 G375 V376 M377 P383 F386 W418 G420 H446M71-W372 HydrophobicContact CE-CH2 3.12Å; M71-W372 HydrophobicContact CE-CZ2 3.62Å; M71-W372 HydrophobicContact CE-CZ3 3.91Å; M71-W372 HydrophobicContact SD-CH2 3.9Å; M368-W372 VanDerWaalsContact O-CB 3.32Å; M368-W372 WeakPolarHBondContact O-CB 3.26Å; M368-W372 PolarHBondContact O-N 3.14Å; S369-W372 PolarHBondContact O-N 3.05Å; V370-W372 VanDerWaalsContact C-N 3.33Å; W372-R374 PolarHBondContact O-N 3.2Å; W372-G375 PolarHBondContact O-N 3.33Å; W372-V376 HydrophobicContact CD2-CB 3.99Å; W372-V376 HydrophobicContact CD2-CG1 4.35Å; W372-V376 HydrophobicContact CD2-CG2 4.05Å; W372-V376 HydrophobicContact CE3-CB 4.21Å; W372-V376 HydrophobicContact CE3-CG2 3.77Å; W372-V376 HydrophobicContact CG-CB 4.4Å; W372-V376 HydrophobicContact CH2-CB 4.43Å; W372-V376 HydrophobicContact CH2-CG1 3.87Å; W372-V376 HydrophobicContact CH2-CG2 4.35Å; W372-V376 HydrophobicContact CZ2-CB 4.29Å; W372-V376 HydrophobicContact CZ2-CG1 3.74Å; W372-V376 HydrophobicContact CZ3-CB 4.42Å; W372-V376 HydrophobicContact CZ3-CG1 4.3Å; W372-V376 HydrophobicContact CZ3-CG2 3.93Å; W372-V376 WeakPolarHBondContact O-CA 3.49Å; W372-V376 WeakPolarHBondContact O-CB 3.42Å; W372-V376 PolarHBondContact O-N 3.31Å; W372-M377 PolarHBondContact O-N 2.88Å; W372-P383 HydrophobicContact CH2-CB 4.18Å; W372-P383 HydrophobicContact CH2-CG 3.99Å; W372-P383 HydrophobicContact CZ3-CB 4.27Å; W372-P383 HydrophobicContact CZ3-CG 4.49Å; W372-F386 HydrophobicContact CB-CD2 4.39Å; W372-F386 HydrophobicContact CB-CE2 3.85Å; W372-F386 HydrophobicContact CB-CZ 4.36Å; W372-F386 AromaticContact CE3-CD1 3.77Å; W372-F386 HydrophobicContact CE3-CD1 3.77Å; W372-F386 AromaticContact CE3-CD2 3.9Å; W372-F386 HydrophobicContact CE3-CD2 3.9Å; W372-F386 AromaticContact CE3-CE1 3.84Å; W372-F386 HydrophobicContact CE3-CE1 3.84Å; W372-F386 AromaticContact CE3-CE2 3.97Å; W372-F386 HydrophobicContact CE3-CE2 3.97Å; W372-F386 AromaticContact CE3-CG 3.8Å; W372-F386 HydrophobicContact CE3-CG 3.8Å; W372-F386 AromaticContact CE3-CZ 3.94Å; W372-F386 HydrophobicContact CE3-CZ 3.94Å; W372-F386 AromaticContact CZ3-CD1 3.91Å; W372-F386 HydrophobicContact CZ3-CD1 3.91Å; W372-F386 HydrophobicContact CZ3-CE1 4.25Å; W372-F386 HydrophobicContact CZ3-CG 4.12Å; W372-W418 HydrophobicContact CB-CZ2 3.87Å; W372-W418 HydrophobicContact CD2-CZ2 4.18Å; W372-W418 AromaticContact CD2-NE1 3.38Å; W372-W418 AromaticContact CE2-NE1 3.66Å; W372-W418 HydrophobicContact CE3-CZ2 4.34Å; W372-W418 AromaticContact CE3-NE1 3.38Å; W372-W418 AromaticContact CG-CZ2 3.97Å; W372-W418 HydrophobicContact CG-CZ2 3.97Å; W372-W418 AromaticContact CG-NE1 3.98Å; W372-W418 AromaticContact CZ2-NE1 4Å; W372-W418 AromaticContact CZ3-NE1 3.74Å; W372-G420 PolarHBondContact NE1-O 2.79Å; W372-G420 VanDerWaalsContact NE1-O 3.12Å; W372-H446 VanDerWaalsContact CD1-C 3.44Å
373E98.6Very high98.4Very high44 Ų4426.4 Ų26.421%0.20615%0.15CC..Iπ-helixtrans-60-48.1178.5-179.760.2-151.400111.3S369 M377 C445 H446S369-E373 WeakPolarHBondContact O-CB 2.94Å; S369-E373 PolarHBondContact O-N 3.05Å; E373-M377 WeakPolarHBondContact O-CB 3.43Å; E373-C445 HydrophobicContact CB-CB 4Å; E373-C445 HydrophobicContact CG-CB 4.39Å; E373-H446 IonicContact OE2-CG 3.38Å; E373-H446 PolarHBondContact OE2-N 3.2Å; E373-H446 IonicContact OE2-ND1 2.95Å; E373-H446 PolarHBondContact OE2-ND1 3.39Å
374R98.2Very high98.5Very high80 Ų8027.1 Ų27.130%0.30216%0.155SC..Iπ-helixtrans-80.4-19.2-174.9-62.9-70.9-165.9-1683.9113.5L289 G290 M324 V370 W372 S378L289-R374 WeakPolarHBondContact O-CD 3.49Å; L289-R374 WeakPolarHBondContact O-CG 3.41Å; L289-R374 PolarHBondContact O-NE 2.78Å; G290-R374 PolarHBondContact O-NH2 3.39Å; M324-R374 HydrophobicContact CE-CB 3.98Å; V370-R374 HydrophobicContact CG1-CG 4.36Å; V370-R374 VanDerWaalsContact O-CB 3.26Å; V370-R374 WeakPolarHBondContact O-CB 3.45Å; V370-R374 WeakPolarHBondContact O-CG 3.46Å; V370-R374 PolarHBondContact O-N 3.17Å; W372-R374 PolarHBondContact O-N 3.2Å; R374-S378 PolarHBondContact O-OG 2.89Å
375G98.6Very high98.5Very high0 Ų029.5 Ų29.50%017%0.165CC..Iπ-helixtrans-108.7-58.8-175.700000113.6V371 W372 S378 G379 F380 I381V371-G375 VanDerWaalsContact O-CA 3.32Å; V371-G375 WeakPolarHBondContact O-CA 3.4Å; V371-G375 PolarHBondContact O-N 2.94Å; W372-G375 PolarHBondContact O-N 3.33Å; G375-S378 PolarHBondContact O-OG 3.21Å; G375-S378 VanDerWaalsContact O-OG 3.13Å; G375-G379 PolarHBondContact O-N 3.44Å; G375-F380 PolarHBondContact O-N 2.93Å; G375-I381 VanDerWaalsContact C-CG1 3.4Å; G375-I381 PolarHBondContact O-N 3.36Å
376V98.7Very high98.5Very high25 Ų2529 Ų2915%0.15216%0.163CC..Iπ-helixtrans-79.5-50.9-174.1-178.60000110.8W372 S378 G379 I381 P383 F386W372-V376 HydrophobicContact CD2-CB 3.99Å; W372-V376 HydrophobicContact CD2-CG1 4.35Å; W372-V376 HydrophobicContact CD2-CG2 4.05Å; W372-V376 HydrophobicContact CE3-CB 4.21Å; W372-V376 HydrophobicContact CE3-CG2 3.77Å; W372-V376 HydrophobicContact CG-CB 4.4Å; W372-V376 HydrophobicContact CH2-CB 4.43Å; W372-V376 HydrophobicContact CH2-CG1 3.87Å; W372-V376 HydrophobicContact CH2-CG2 4.35Å; W372-V376 HydrophobicContact CZ2-CB 4.29Å; W372-V376 HydrophobicContact CZ2-CG1 3.74Å; W372-V376 HydrophobicContact CZ3-CB 4.42Å; W372-V376 HydrophobicContact CZ3-CG1 4.3Å; W372-V376 HydrophobicContact CZ3-CG2 3.93Å; W372-V376 WeakPolarHBondContact O-CA 3.49Å; W372-V376 WeakPolarHBondContact O-CB 3.42Å; W372-V376 PolarHBondContact O-N 3.31Å; V376-S378 VanDerWaalsContact C-N 3.29Å; V376-S378 PolarHBondContact O-N 3.07Å; V376-G379 PolarHBondContact O-N 3.04Å; V376-I381 WeakPolarHBondContact CA-O 3.35Å; V376-I381 HydrophobicContact CG2-CD1 4.41Å; V376-I381 HydrophobicContact CG2-CG1 4.07Å; V376-P383 HydrophobicContact CG1-CG 4.31Å; V376-F386 HydrophobicContact CG2-CB 3.79Å; V376-F386 HydrophobicContact CG2-CD2 4.29Å; V376-F386 HydrophobicContact CG2-CG 4.24Å
377M98.1Very high98.5Very high78 Ų7829 Ų2938%0.38416%0.163SC..Iπ-helixtrans-66.5-33-177.8-61.4-53.8-60.200112.9W372 E373 G379 H446W372-M377 PolarHBondContact O-N 2.88Å; E373-M377 WeakPolarHBondContact O-CB 3.43Å; M377-G379 PolarHBondContact O-N 3Å; M377-H446 HydrophobicContact CE-CB 4.2Å; M377-H446 HydrophobicContact CG-CB 3.71Å; M377-H446 HydrophobicContact SD-CB 3.8Å
378S96.9Very high98.5Very high61 Ų6129.3 Ų29.343%0.42717%0.166SC..THydrogen-bonded Turntrans-75.2-10.9174.264.10000113.8R374 G375 V376 F380R374-S378 PolarHBondContact O-OG 2.89Å; G375-S378 PolarHBondContact O-OG 3.21Å; G375-S378 VanDerWaalsContact O-OG 3.13Å; V376-S378 VanDerWaalsContact C-N 3.29Å; V376-S378 PolarHBondContact O-N 3.07Å; S378-F380 VanDerWaalsContact OG-CD2 3.25Å; S378-F380 WeakPolarHBondContact OG-CD2 3.36Å
379G97.7Very high98.5Very high61 Ų6129.4 Ų29.463%0.62917%0.166SC*.THydrogen-bonded Turntrans78.213179.800000115.3G375 V376 M377G375-G379 PolarHBondContact O-N 3.44Å; V376-G379 PolarHBondContact O-N 3.04Å; M377-G379 PolarHBondContact O-N 3Å
380F98.2Very high98.5Very high53 Ų5329.5 Ų29.523%0.23217%0.167CC..SBendtrans-74-34.5175.1-77.8-62.5000113.1D321 M324 R325 S328 G375 S378D321-F380 HydrophobicContact CB-CE2 4.14Å; D321-F380 HydrophobicContact CB-CZ 4.03Å; M324-F380 HydrophobicContact CB-CD2 4.02Å; M324-F380 HydrophobicContact CB-CE2 4.48Å; M324-F380 HydrophobicContact CB-CG 4.32Å; M324-F380 HydrophobicContact CG-CB 3.53Å; M324-F380 HydrophobicContact CG-CD2 3.57Å; M324-F380 HydrophobicContact CG-CE2 4.47Å; M324-F380 HydrophobicContact CG-CG 3.7Å; R325-F380 HydrophobicContact CG-CD1 4.01Å; R325-F380 HydrophobicContact CG-CE1 3.63Å; R325-F380 HydrophobicContact CG-CZ 4.45Å; S328-F380 WeakPolarHBondContact CB-O 3.28Å; G375-F380 PolarHBondContact O-N 2.93Å; S378-F380 VanDerWaalsContact OG-CD2 3.25Å; S378-F380 WeakPolarHBondContact OG-CD2 3.36Å
381I98.6Very high98.5Very high13 Ų1329.5 Ų29.57%0.06717%0.167CC..SBendtrans-135.4155-179.661171.3000110.8M324 G375 V376 K385 F386 V389M324-I381 HydrophobicContact SD-CD1 4.44Å; G375-I381 VanDerWaalsContact C-CG1 3.4Å; G375-I381 PolarHBondContact O-N 3.36Å; V376-I381 WeakPolarHBondContact CA-O 3.35Å; V376-I381 HydrophobicContact CG2-CD1 4.41Å; V376-I381 HydrophobicContact CG2-CG1 4.07Å; I381-K385 HydrophobicContact CB-CB 3.97Å; I381-K385 HydrophobicContact CB-CG 3.76Å; I381-K385 HydrophobicContact CG2-CB 4.39Å; I381-K385 HydrophobicContact CG2-CG 3.62Å; I381-F386 HydrophobicContact CD1-CB 4.16Å; I381-V389 HydrophobicContact CD1-CG2 4.46Å
382D98.5Very high98.5Very high90 Ų9029.5 Ų29.548%0.48117%0.167SC..  trans-90.7171.6171.667.827.4000111.5C384 K385 F386D382-C384 VanDerWaalsContact C-N 3.28Å; D382-C384 PolarHBondContact O-N 2.96Å; D382-C384 WeakPolarHBondContact OD1-CA 3.5Å; D382-C384 WeakPolarHBondContact OD1-CB 3.3Å; D382-C384 PolarHBondContact OD1-N 3.11Å; D382-K385 PolarHBondContact O-N 3.28Å; D382-K385 WeakPolarHBondContact OD1-CB 3.16Å; D382-K385 PolarHBondContact OD1-N 3.49Å; D382-F386 PolarHBondContact O-N 3.5Å
383P98.7Very high98.5Very high26 Ų2629.7 Ų29.717%0.16917%0.169CC..Hα-helixtrans-59.7-30.5177.6-28.637.6000115V32 M37 M71 W372 V376 F386 V387V32-P383 HydrophobicContact CG1-CB 3.98Å; M37-P383 HydrophobicContact CE-CB 3.82Å; M37-P383 HydrophobicContact CE-CG 3.97Å; M37-P383 HydrophobicContact SD-CB 4.34Å; M37-P383 HydrophobicContact SD-CG 4.44Å; M71-P383 HydrophobicContact SD-CB 4.16Å; M71-P383 HydrophobicContact SD-CG 4.39Å; W372-P383 HydrophobicContact CH2-CB 4.18Å; W372-P383 HydrophobicContact CH2-CG 3.99Å; W372-P383 HydrophobicContact CZ3-CB 4.27Å; W372-P383 HydrophobicContact CZ3-CG 4.49Å; V376-P383 HydrophobicContact CG1-CG 4.31Å; P383-F386 WeakPolarHBondContact O-CB 3.34Å; P383-F386 PolarHBondContact O-N 2.83Å; P383-V387 WeakPolarHBondContact O-CG2 3.16Å; P383-V387 PolarHBondContact O-N 3.13Å
384C98.8Very high98.5Very high16 Ų1627.7 Ų27.711%0.10816%0.16CC..Hα-helixtrans-67.6-45.6176.6-66.40000110.5N33 D34 M37 D382 F386 V387 A388N33-C384 WeakPolarHBondContact O-CA 3.49Å; N33-C384 WeakPolarHBondContact O-CB 3.47Å; N33-C384 PolarHBondContact O-SG 3.42Å; D34-C384 WeakPolarHBondContact CA-O 3.31Å; M37-C384 VanDerWaalsContact CG-SG 3.58Å; D382-C384 VanDerWaalsContact C-N 3.28Å; D382-C384 PolarHBondContact O-N 2.96Å; D382-C384 WeakPolarHBondContact OD1-CA 3.5Å; D382-C384 WeakPolarHBondContact OD1-CB 3.3Å; D382-C384 PolarHBondContact OD1-N 3.11Å; C384-F386 VanDerWaalsContact C-N 3.3Å; C384-F386 PolarHBondContact O-N 3.26Å; C384-V387 WeakPolarHBondContact O-CB 3.4Å; C384-V387 PolarHBondContact O-N 3.13Å; C384-A388 PolarHBondContact O-N 2.8Å
385K98.7Very high98.5Very high49 Ų4923.9 Ų23.921%0.21315%0.146CC..Hα-helixtrans-65.1-35175.6-176.566.5177.4-166.70111.6V327 S328 I381 D382 A388 V389V327-K385 WeakPolarHBondContact O-CE 3.4Å; V327-K385 PolarHBondContact O-NZ 2.91Å; S328-K385 WeakPolarHBondContact O-CE 3.48Å; S328-K385 PolarHBondContact O-NZ 3.15Å; I381-K385 HydrophobicContact CB-CB 3.97Å; I381-K385 HydrophobicContact CB-CG 3.76Å; I381-K385 HydrophobicContact CG2-CB 4.39Å; I381-K385 HydrophobicContact CG2-CG 3.62Å; D382-K385 PolarHBondContact O-N 3.28Å; D382-K385 WeakPolarHBondContact OD1-CB 3.16Å; D382-K385 PolarHBondContact OD1-N 3.49Å; K385-A388 WeakPolarHBondContact O-CB 3.18Å; K385-A388 PolarHBondContact O-N 3.18Å; K385-V389 HydrophobicContact CD-CG1 4.28Å; K385-V389 WeakPolarHBondContact O-CG1 3.12Å; K385-V389 WeakPolarHBondContact O-CG2 3.46Å; K385-V389 PolarHBondContact O-N 3.42Å
386F98.9Very high98.6Very high0 Ų025.8 Ų25.80%015%0.154CC..Hα-helixtrans-57.2-49169.8170.8-95.3000111.7I73 M368 V371 W372 V376 I381 D382 P383 C384 A388 V389 T390 W418I73-F386 HydrophobicContact CD1-CE1 3.85Å; M368-F386 HydrophobicContact CB-CZ 4.22Å; M368-F386 HydrophobicContact CE-CE1 3.79Å; M368-F386 HydrophobicContact CE-CZ 3.72Å; M368-F386 WeakPolarHBondContact O-CE2 3.13Å; V371-F386 HydrophobicContact CB-CD2 4.49Å; V371-F386 HydrophobicContact CB-CE2 4.15Å; V371-F386 HydrophobicContact CG1-CD2 3.92Å; V371-F386 HydrophobicContact CG1-CE2 4.06Å; W372-F386 HydrophobicContact CB-CD2 4.39Å; W372-F386 HydrophobicContact CB-CE2 3.85Å; W372-F386 HydrophobicContact CB-CZ 4.36Å; W372-F386 AromaticContact CE3-CD1 3.77Å; W372-F386 HydrophobicContact CE3-CD1 3.77Å; W372-F386 AromaticContact CE3-CD2 3.9Å; W372-F386 HydrophobicContact CE3-CD2 3.9Å; W372-F386 AromaticContact CE3-CE1 3.84Å; W372-F386 HydrophobicContact CE3-CE1 3.84Å; W372-F386 AromaticContact CE3-CE2 3.97Å; W372-F386 HydrophobicContact CE3-CE2 3.97Å; W372-F386 AromaticContact CE3-CG 3.8Å; W372-F386 HydrophobicContact CE3-CG 3.8Å; W372-F386 AromaticContact CE3-CZ 3.94Å; W372-F386 HydrophobicContact CE3-CZ 3.94Å; W372-F386 AromaticContact CZ3-CD1 3.91Å; W372-F386 HydrophobicContact CZ3-CD1 3.91Å; W372-F386 HydrophobicContact CZ3-CE1 4.25Å; W372-F386 HydrophobicContact CZ3-CG 4.12Å; V376-F386 HydrophobicContact CG2-CB 3.79Å; V376-F386 HydrophobicContact CG2-CD2 4.29Å; V376-F386 HydrophobicContact CG2-CG 4.24Å; I381-F386 HydrophobicContact CD1-CB 4.16Å; D382-F386 PolarHBondContact O-N 3.5Å; P383-F386 WeakPolarHBondContact O-CB 3.34Å; P383-F386 PolarHBondContact O-N 2.83Å; C384-F386 VanDerWaalsContact C-N 3.3Å; C384-F386 PolarHBondContact O-N 3.26Å; F386-A388 VanDerWaalsContact C-N 3.3Å; F386-A388 PolarHBondContact O-N 3.49Å; F386-V389 PolarHBondContact O-N 3.33Å; F386-T390 HydrophobicContact CD2-CG2 4Å; F386-T390 HydrophobicContact CE2-CG2 3.74Å; F386-T390 HydrophobicContact CG-CG2 4.5Å; F386-T390 HydrophobicContact CZ-CG2 4.05Å; F386-T390 WeakPolarHBondContact O-CB 3.39Å; F386-T390 WeakPolarHBondContact O-CG2 3.5Å; F386-T390 PolarHBondContact O-N 3.32Å; F386-T390 VanDerWaalsContact O-N 3.1Å; F386-T390 PolarHBondContact O-OG1 2.84Å; F386-W418 HydrophobicContact CZ-CZ2 4.26Å
387V98.9Very high98.5Very high1 Ų124.6 Ų24.61%0.00615%0.146CC..Hα-helixtrans-59.4-42.8175.3169.60000111.1V32 I73 P74 P383 C384 V389 T390 S391 T392V32-V387 HydrophobicContact CB-CG2 4.33Å; V32-V387 HydrophobicContact CG1-CG2 3.86Å; I73-V387 HydrophobicContact CB-CG2 4.05Å; I73-V387 HydrophobicContact CG2-CG2 4.09Å; P74-V387 HydrophobicContact CG-CG1 3.77Å; P383-V387 WeakPolarHBondContact O-CG2 3.16Å; P383-V387 PolarHBondContact O-N 3.13Å; C384-V387 WeakPolarHBondContact O-CB 3.4Å; C384-V387 PolarHBondContact O-N 3.13Å; V387-V389 PolarHBondContact O-N 2.85Å; V387-T390 PolarHBondContact O-N 3.18Å; V387-S391 PolarHBondContact O-N 2.71Å; V387-S391 PolarHBondContact O-OG 3.2Å; V387-T392 PolarHBondContact O-N 2.78Å
388A98.9Very high98.6Very high8 Ų820.9 Ų20.97%0.06613%0.128CC..Iπ-helixtrans-57-50.517900000112.4D34 C384 K385 F386 T392 N393D34-A388 HydrophobicContact CB-CB 3.85Å; C384-A388 PolarHBondContact O-N 2.8Å; K385-A388 WeakPolarHBondContact O-CB 3.18Å; K385-A388 PolarHBondContact O-N 3.18Å; F386-A388 VanDerWaalsContact C-N 3.3Å; F386-A388 PolarHBondContact O-N 3.49Å; A388-T392 PolarHBondContact O-N 3.47Å; A388-N393 VanDerWaalsContact O-CB 3.23Å; A388-N393 WeakPolarHBondContact O-CB 3.38Å; A388-N393 PolarHBondContact O-N 3.35Å; A388-N393 PolarHBondContact O-ND2 3.38Å
389V98.8Very high98.6Very high2 Ų219.9 Ų19.91%0.01212%0.118CC..Iπ-helixtrans-83.2-15.3-172.6-55.40000114.1V327 T335 V371 I381 K385 F386 V387V327-V389 HydrophobicContact CG1-CB 4.22Å; V327-V389 HydrophobicContact CG1-CG1 3.82Å; V327-V389 HydrophobicContact CG1-CG2 4.12Å; T335-V389 HydrophobicContact CG2-CB 4.27Å; T335-V389 HydrophobicContact CG2-CG2 4.13Å; T335-V389 PolarHBondContact N-O 3.04Å; T335-V389 PolarHBondContact OG1-O 2.84Å; V371-V389 HydrophobicContact CG1-CG2 4.31Å; I381-V389 HydrophobicContact CD1-CG2 4.46Å; K385-V389 HydrophobicContact CD-CG1 4.28Å; K385-V389 WeakPolarHBondContact O-CG1 3.12Å; K385-V389 WeakPolarHBondContact O-CG2 3.46Å; K385-V389 PolarHBondContact O-N 3.42Å; F386-V389 PolarHBondContact O-N 3.33Å; V387-V389 PolarHBondContact O-N 2.85Å
390T98.9Very high98.7Very high2 Ų217.3 Ų17.31%0.0129%0.09CC..Iπ-helixtrans-102.1-17.3179.759.10000113.9V77 R367 V371 F386 V387V77-T390 PolarHBondContact N-O 2.91Å; V77-T390 VanDerWaalsContact O-O 3.08Å; R367-T390 PolarHBondContact NH1-O 3.42Å; R367-T390 PolarHBondContact NH2-O 2.82Å; V371-T390 HydrophobicContact CB-CG2 4.37Å; V371-T390 HydrophobicContact CG1-CG2 4Å; F386-T390 HydrophobicContact CD2-CG2 4Å; F386-T390 HydrophobicContact CE2-CG2 3.74Å; F386-T390 HydrophobicContact CG-CG2 4.5Å; F386-T390 HydrophobicContact CZ-CG2 4.05Å; F386-T390 WeakPolarHBondContact O-CB 3.39Å; F386-T390 WeakPolarHBondContact O-CG2 3.5Å; F386-T390 PolarHBondContact O-N 3.32Å; F386-T390 VanDerWaalsContact O-N 3.1Å; F386-T390 PolarHBondContact O-OG1 2.84Å; V387-T390 PolarHBondContact O-N 3.18Å
391S98.8Very high98.7Very high0 Ų018.3 Ų18.30%09%0.093CC..Iπ-helixtrans-143.6-63.3-177.867.50000113.5G75 V387 N393 A394 A395G75-S391 WeakPolarHBondContact O-CB 3.16Å; V387-S391 PolarHBondContact O-N 2.71Å; V387-S391 PolarHBondContact O-OG 3.2Å; S391-N393 PolarHBondContact O-N 3.41Å; S391-A394 PolarHBondContact O-N 3.14Å; S391-A395 PolarHBondContact O-N 2.93Å
392T98.9Very high98.7Very high0 Ų020.5 Ų20.50%011%0.108CC..Iπ-helixtrans-63.9-42.5-164.8-490000113.4D34 V387 A388 A395 K396 Y401 G405D34-T392 HydrophobicContact CB-CG2 4.17Å; D34-T392 WeakPolarHBondContact OD2-CG2 3.37Å; V387-T392 PolarHBondContact O-N 2.78Å; A388-T392 PolarHBondContact O-N 3.47Å; T392-A395 PolarHBondContact O-N 3.26Å; T392-K396 HydrophobicContact CG2-CD 3.99Å; T392-K396 VanDerWaalsContact CG2-CE 3.43Å; T392-K396 HydrophobicContact CG2-CG 4.38Å; T392-K396 WeakPolarHBondContact O-CB 3.31Å; T392-K396 WeakPolarHBondContact O-CG 3.47Å; T392-K396 PolarHBondContact O-N 3.24Å; T392-Y401 HydrophobicContact CG2-CD2 3.84Å; T392-Y401 HydrophobicContact CG2-CE2 3.65Å; T392-G405 WeakPolarHBondContact CB-O 3.26Å; T392-G405 PolarHBondContact OG1-O 3.15Å
393N98.8Very high98.6Very high14 Ų1421.4 Ų21.48%0.07511%0.109CC..Hα-helixtrans-67-44.4-178.7-68.9-13.8000111.1E333 A388 S391 A395 K396 V397E333-N393 WeakPolarHBondContact O-CB 3.27Å; E333-N393 PolarHBondContact O-ND2 3.45Å; A388-N393 VanDerWaalsContact O-CB 3.23Å; A388-N393 WeakPolarHBondContact O-CB 3.38Å; A388-N393 PolarHBondContact O-N 3.35Å; A388-N393 PolarHBondContact O-ND2 3.38Å; S391-N393 PolarHBondContact O-N 3.41Å; N393-A395 VanDerWaalsContact C-N 3.33Å; N393-A395 PolarHBondContact O-N 3.02Å; N393-K396 PolarHBondContact O-N 2.83Å; N393-V397 WeakPolarHBondContact O-CB 3.32Å; N393-V397 WeakPolarHBondContact O-CG2 3.45Å; N393-V397 PolarHBondContact O-N 2.83Å
394A98.7Very high98.6Very high3 Ų320.3 Ų20.33%0.02510%0.102CC..Hα-helixtrans-59.9-44.7174.200000111.1V77 P79 S391 K396 V397 F398V77-A394 HydrophobicContact CB-CB 4.18Å; V77-A394 HydrophobicContact CG1-CB 3.97Å; P79-A394 HydrophobicContact CB-CB 4.33Å; P79-A394 HydrophobicContact CG-CB 4.19Å; S391-A394 PolarHBondContact O-N 3.14Å; A394-K396 VanDerWaalsContact C-N 3.33Å; A394-K396 PolarHBondContact O-N 2.96Å; A394-V397 PolarHBondContact O-N 3.29Å; A394-F398 VanDerWaalsContact O-CD2 3.25Å; A394-F398 WeakPolarHBondContact O-CD2 3.41Å; A394-F398 PolarHBondContact O-N 3.06Å
395A98.8Very high98.6Very high0 Ų019.8 Ų19.80%010%0.099CC..Hα-helixtrans-61-39.2175.500000112.5S391 T392 N393 N399 L400 Y401 K404S391-A395 PolarHBondContact O-N 2.93Å; T392-A395 PolarHBondContact O-N 3.26Å; N393-A395 VanDerWaalsContact C-N 3.33Å; N393-A395 PolarHBondContact O-N 3.02Å; A395-N399 CarbonylContact O-C 3.55Å; A395-N399 PolarHBondContact O-N 3.21Å; A395-N399 VanDerWaalsContact O-N 3.11Å; A395-L400 HydrophobicContact CB-CB 4.25Å; A395-L400 PolarHBondContact O-N 3.07Å; A395-Y401 PolarHBondContact O-N 2.91Å; A395-Y401 VanDerWaalsContact O-N 3.08Å; A395-K404 HydrophobicContact CB-CB 4.21Å; A395-K404 WeakPolarHBondContact CB-O 3.24Å
396K98.7Very high98.6Very high39 Ų3919.3 Ų19.317%0.1710%0.096CC..Hα-helixtrans-67.8-48.5175.3-74.3170.4-179162.50111.6D34 T392 N393 A394 F398 N399 Y401 S481 Y483D34-K396 IonicContact OD2-NZ 2.85Å; D34-K396 PolarHBondContact OD2-NZ 3.45Å; T392-K396 HydrophobicContact CG2-CD 3.99Å; T392-K396 VanDerWaalsContact CG2-CE 3.43Å; T392-K396 HydrophobicContact CG2-CG 4.38Å; T392-K396 WeakPolarHBondContact O-CB 3.31Å; T392-K396 WeakPolarHBondContact O-CG 3.47Å; T392-K396 PolarHBondContact O-N 3.24Å; N393-K396 PolarHBondContact O-N 2.83Å; A394-K396 VanDerWaalsContact C-N 3.33Å; A394-K396 PolarHBondContact O-N 2.96Å; K396-F398 PolarHBondContact O-N 2.96Å; K396-N399 PolarHBondContact O-N 3.2Å; K396-Y401 HydrophobicContact CG-CD1 4.19Å; K396-Y401 HydrophobicContact CG-CD2 4.04Å; K396-Y401 HydrophobicContact CG-CG 3.77Å; K396-S481 PolarHBondContact O-OG 3.05Å; K396-Y483 HydrophobicContact CB-CD1 3.98Å; K396-Y483 HydrophobicContact CB-CD2 3.97Å; K396-Y483 HydrophobicContact CB-CG 3.68Å; K396-Y483 HydrophobicContact CD-CD2 4.01Å; K396-Y483 HydrophobicContact CD-CE2 4.1Å; K396-Y483 HydrophobicContact CG-CD2 4.42Å
397V98.4Very high98.6Very high0 Ų019.4 Ų19.40%010%0.096CC..Hα-helixtrans-57.2-49.9-179.51710000111.1V200 Y257 V281 N393 A394 N399 S481 Y483 I484V200-V397 HydrophobicContact CG1-CG1 4.46Å; V200-V397 HydrophobicContact CG2-CG1 4.41Å; Y257-V397 HydrophobicContact CD2-CG1 3.82Å; Y257-V397 HydrophobicContact CE2-CG1 3.94Å; V281-V397 HydrophobicContact CG1-CG2 4.14Å; V281-V397 HydrophobicContact CG2-CG2 4.32Å; N393-V397 WeakPolarHBondContact O-CB 3.32Å; N393-V397 WeakPolarHBondContact O-CG2 3.45Å; N393-V397 PolarHBondContact O-N 2.83Å; A394-V397 PolarHBondContact O-N 3.29Å; V397-N399 VanDerWaalsContact C-N 3.33Å; V397-N399 PolarHBondContact O-N 2.82Å; V397-S481 WeakPolarHBondContact O-CB 3.48Å; V397-Y483 HydrophobicContact CG2-CD1 3.91Å; V397-Y483 HydrophobicContact CG2-CE1 3.94Å; V397-I484 HydrophobicContact CB-CD1 4.45Å; V397-I484 HydrophobicContact CG1-CD1 4.21Å; V397-I484 HydrophobicContact CG1-CG1 4.36Å; V397-I484 HydrophobicContact CG2-CD1 4.15Å
398F98.6Very high98.6Very high1 Ų122.7 Ų22.70%0.00411%0.114CC..THydrogen-bonded Turntrans-93.114.2-176.6-57.9-67.7000113.7P79 I112 H144 N168 V200 Y257 A394 K396 L400P79-F398 HydrophobicContact CB-CD2 4.06Å; P79-F398 HydrophobicContact CB-CE2 3.44Å; P79-F398 VanDerWaalsContact CB-CE2 3.44Å; P79-F398 HydrophobicContact CB-CZ 4.24Å; P79-F398 HydrophobicContact CG-CE2 4.42Å; I112-F398 HydrophobicContact CD1-CB 3.79Å; I112-F398 HydrophobicContact CD1-CD1 4.45Å; I112-F398 HydrophobicContact CD1-CD2 3.47Å; I112-F398 VanDerWaalsContact CD1-CD2 3.47Å; I112-F398 HydrophobicContact CD1-CE2 4.21Å; I112-F398 HydrophobicContact CD1-CG 3.63Å; H144-F398 AromaticContact CE1-CD1 3.66Å; H144-F398 AromaticContact CE1-CE1 3.37Å; H144-F398 WeakPolarHBondContact CE1-CE1 3.05Å; H144-F398 AromaticContact CE1-CZ 3.78Å; N168-F398 PolarHBondContact ND2-O 3.44Å; V200-F398 HydrophobicContact CB-CE1 4.4Å; V200-F398 HydrophobicContact CG1-CE1 4.25Å; Y257-F398 HydrophobicContact CD2-CZ 4.07Å; Y257-F398 HydrophobicContact CE2-CE2 4.05Å; Y257-F398 AromaticContact CE2-CZ 3.79Å; Y257-F398 HydrophobicContact CE2-CZ 3.79Å; A394-F398 VanDerWaalsContact O-CD2 3.25Å; A394-F398 WeakPolarHBondContact O-CD2 3.41Å; A394-F398 PolarHBondContact O-N 3.06Å; K396-F398 PolarHBondContact O-N 2.96Å; F398-L400 HydrophobicContact CB-CG 4.49Å; F398-L400 PolarHBondContact O-N 2.96Å
399N98.4Very high98.5Very high40 Ų4026.5 Ų26.521%0.21414%0.136CC..THydrogen-bonded Turntrans60.339.6172.6-15017.8000115.2A395 K396 V397 L478 P479A395-N399 CarbonylContact O-C 3.55Å; A395-N399 PolarHBondContact O-N 3.21Å; A395-N399 VanDerWaalsContact O-N 3.11Å; K396-N399 PolarHBondContact O-N 3.2Å; V397-N399 VanDerWaalsContact C-N 3.33Å; V397-N399 PolarHBondContact O-N 2.82Å; N399-L478 WeakPolarHBondContact CB-O 3.37Å; N399-L478 PolarHBondContact ND2-O 3.4Å; N399-P479 PolarHBondContact ND2-O 3.41Å
400L98.5Very high98.5Very high6 Ų628.2 Ų28.23%0.03115%0.154CC..  trans-103.5-8.1173.8-49.2-179.3000112.3T110 I112 A395 F398 H403 K404 V475 A477T110-L400 HydrophobicContact CG2-CD1 4.44Å; I112-L400 HydrophobicContact CD1-CD1 4.29Å; A395-L400 HydrophobicContact CB-CB 4.25Å; A395-L400 PolarHBondContact O-N 3.07Å; F398-L400 HydrophobicContact CB-CG 4.49Å; F398-L400 PolarHBondContact O-N 2.96Å; L400-H403 WeakPolarHBondContact O-CB 3.39Å; L400-H403 PolarHBondContact O-N 3.15Å; L400-H403 VanDerWaalsContact O-N 3.11Å; L400-K404 HydrophobicContact CB-CB 4.14Å; L400-K404 HydrophobicContact CB-CG 4.12Å; L400-K404 PolarHBondContact O-N 3.33Å; L400-V475 HydrophobicContact CD2-CG1 3.81Å; L400-A477 HydrophobicContact CD2-CB 4.11Å
401Y98.7Very high98.5Very high74 Ų7428.2 Ų28.229%0.2915%0.154SC..THydrogen-bonded Turntrans-81.5142.6179.1-179-88000111.8T392 A395 K396 R406T392-Y401 HydrophobicContact CG2-CD2 3.84Å; T392-Y401 HydrophobicContact CG2-CE2 3.65Å; A395-Y401 PolarHBondContact O-N 2.91Å; A395-Y401 VanDerWaalsContact O-N 3.08Å; K396-Y401 HydrophobicContact CG-CD1 4.19Å; K396-Y401 HydrophobicContact CG-CD2 4.04Å; K396-Y401 HydrophobicContact CG-CG 3.77Å; Y401-R406 HydrophobicContact CD2-CB 4.42Å; Y401-R406 HydrophobicContact CE2-CB 3.86Å; Y401-R406 HydrophobicContact CE2-CG 4.36Å; Y401-R406 WeakPolarHBondContact OH-CD 3.35Å
402P98Very high98.5Very high59 Ų5929.4 Ų29.438%0.38316%0.161SC..THydrogen-bonded Turncis-91.48.80.436.9-35.8000114K404 R406 S411P402-K404 VanDerWaalsContact C-N 3.27Å; P402-K404 PolarHBondContact O-N 3.05Å; P402-R406 HydrophobicContact CB-CB 4.41Å; P402-S411 WeakPolarHBondContact O-CB 3.2Å; P402-S411 PolarHBondContact O-OG 3.08Å
403H97.5Very high98.4Very high110 Ų11029.4 Ų29.451%0.50916%0.161SC..THydrogen-bonded Turntrans-59.4-40.6178.3-66.4-63000111.6L400 D412L400-H403 WeakPolarHBondContact O-CB 3.39Å; L400-H403 PolarHBondContact O-N 3.15Å; L400-H403 VanDerWaalsContact O-N 3.11Å; H403-D412 WeakPolarHBondContact O-CB 3.5Å; H403-D412 PolarHBondContact O-N 2.95Å
404K98.6Very high98.4Very high3 Ų329.1 Ų29.11%0.01316%0.159CC..SBendtrans-110.3155.4168.6-54.7-57.4-171.1-162.40111.1V77 T110 D140 A395 L400 P402 R406 D412 D414V77-K404 HydrophobicContact CG2-CB 4.23Å; T110-K404 WeakPolarHBondContact OG1-CE 3.25Å; D140-K404 IonicContact OD2-NZ 2.75Å; D140-K404 PolarHBondContact OD2-NZ 3.2Å; A395-K404 HydrophobicContact CB-CB 4.21Å; A395-K404 WeakPolarHBondContact CB-O 3.24Å; L400-K404 HydrophobicContact CB-CB 4.14Å; L400-K404 HydrophobicContact CB-CG 4.12Å; L400-K404 PolarHBondContact O-N 3.33Å; P402-K404 VanDerWaalsContact C-N 3.27Å; P402-K404 PolarHBondContact O-N 3.05Å; K404-R406 VanDerWaalsContact C-N 3.35Å; K404-R406 PolarHBondContact O-N 2.85Å; K404-D412 HydrophobicContact CD-CB 4.38Å; K404-D412 WeakPolarHBondContact CE-OD2 3.41Å; K404-D412 IonicContact NZ-OD2 3.14Å; K404-D412 PolarHBondContact NZ-OD2 2.76Å; K404-D414 WeakPolarHBondContact CD-OD2 3.4Å; K404-D414 WeakPolarHBondContact CE-OD2 3.32Å; K404-D414 IonicContact NZ-OD2 2.79Å; K404-D414 PolarHBondContact NZ-OD2 3.14Å
405G98.4Very high98.4Very high5 Ų529 Ų295%0.05216%0.158CC..SBendtrans73.718.9171.500000115.4T392T392-G405 WeakPolarHBondContact CB-O 3.26Å; T392-G405 PolarHBondContact OG1-O 3.15Å
406R98.7Very high98.4Very high39 Ų3929 Ų2915%0.14716%0.158CC..  trans-149.1142.9171.3-166.4176.3-176.270.7-2.1111.4D34 D35 Y401 P402 K404 D408 S411D34-R406 IonicContact OD1-NH1 3.97Å; D34-R406 PolarHBondContact OD1-NH1 3.21Å; D35-R406 IonicContact OD1-CZ 3.97Å; D35-R406 IonicContact OD1-NH1 3.73Å; D35-R406 PolarHBondContact OD1-NH1 3Å; D35-R406 IonicContact OD1-NH2 3.74Å; D35-R406 IonicContact OD2-CZ 3.75Å; D35-R406 IonicContact OD2-NH1 3.82Å; D35-R406 IonicContact OD2-NH2 2.83Å; D35-R406 PolarHBondContact OD2-NH2 2.9Å; Y401-R406 HydrophobicContact CD2-CB 4.42Å; Y401-R406 HydrophobicContact CE2-CB 3.86Å; Y401-R406 HydrophobicContact CE2-CG 4.36Å; Y401-R406 WeakPolarHBondContact OH-CD 3.35Å; P402-R406 HydrophobicContact CB-CB 4.41Å; K404-R406 VanDerWaalsContact C-N 3.35Å; K404-R406 PolarHBondContact O-N 2.85Å; R406-D408 HydrophobicContact CG-CB 4.09Å; R406-D408 IonicContact CZ-OD2 3.18Å; R406-D408 IonicContact NE-OD2 2.78Å; R406-D408 PolarHBondContact NE-OD2 3.21Å; R406-D408 VanDerWaalsContact NE-OD2 3.12Å; R406-D408 IonicContact NH2-OD2 2.75Å; R406-S411 WeakPolarHBondContact O-CB 2.96Å; R406-S411 PolarHBondContact O-OG 2.88Å
407I98.7Very high98.4Very high2 Ų227.2 Ų27.21%0.0115%0.15CC..  trans-94.699.4165.1-54.8-177.2000107.7V31 N33 I42 I49 V52 V72 P74 L415V31-I407 HydrophobicContact CG1-CB 3.89Å; V31-I407 HydrophobicContact CG1-CD1 3.88Å; V31-I407 HydrophobicContact CG1-CG1 4.41Å; V31-I407 HydrophobicContact CG1-CG2 3.85Å; N33-I407 PolarHBondContact ND2-O 3.34Å; N33-I407 PolarHBondContact OD1-N 3.31Å; I42-I407 HydrophobicContact CD1-CD1 4.3Å; I42-I407 HydrophobicContact CD1-CG2 3.62Å; I42-I407 HydrophobicContact CG1-CG2 4.19Å; I49-I407 HydrophobicContact CD1-CG2 4.06Å; V52-I407 HydrophobicContact CG2-CG2 4.35Å; V72-I407 HydrophobicContact CB-CD1 4.35Å; V72-I407 HydrophobicContact CG1-CD1 3.96Å; V72-I407 VanDerWaalsContact O-CD1 3.24Å; V72-I407 WeakPolarHBondContact O-CD1 3.19Å; P74-I407 HydrophobicContact CG-CG1 4Å; I407-L415 HydrophobicContact CB-CD2 4.48Å; I407-L415 HydrophobicContact CD1-CD2 3.69Å; I407-L415 HydrophobicContact CG1-CD2 3.52Å; I407-L415 HydrophobicContact CG2-CD2 4.44Å
408D98.2Very high98.4Very high70 Ų7027.2 Ų27.237%0.37415%0.15SC..SBendtrans-152.5163.4175.7-145.2-23.7000110.4I49 R406 G410 S411I49-D408 WeakPolarHBondContact CB-O 3.31Å; I49-D408 WeakPolarHBondContact CG2-O 3.44Å; R406-D408 HydrophobicContact CG-CB 4.09Å; R406-D408 IonicContact CZ-OD2 3.18Å; R406-D408 IonicContact NE-OD2 2.78Å; R406-D408 PolarHBondContact NE-OD2 3.21Å; R406-D408 VanDerWaalsContact NE-OD2 3.12Å; R406-D408 IonicContact NH2-OD2 2.75Å; D408-G410 PolarHBondContact O-N 3.03Å; D408-S411 WeakPolarHBondContact O-CB 3.35Å; D408-S411 PolarHBondContact O-N 3.14Å; D408-S411 VanDerWaalsContact O-N 3.15Å
409V98.3Very high98.4Very high87 Ų8728.8 Ų28.853%0.52716%0.159SC..THydrogen-bonded Turntrans-63125.7177.4177.50000109.8R50 V52R50-V409 WeakPolarHBondContact O-CG1 3.45Å; V52-V409 HydrophobicContact CG2-CG2 4.42Å
410G98Very high98.4Very high39 Ų3927.3 Ų27.340%0.40215%0.153SC..THydrogen-bonded Turntrans93.6-10.1-177.900000115.1I49 D408I49-G410 PolarHBondContact O-N 3.37Å; D408-G410 PolarHBondContact O-N 3.03Å
411S98.6Very high98.3Very high1 Ų133.3 Ų33.31%0.00719%0.185CC..SBendtrans-70.2155.7170.1-64.20000111.3I49 P402 R406 D408I49-S411 PolarHBondContact N-O 2.81Å; P402-S411 WeakPolarHBondContact O-CB 3.2Å; P402-S411 PolarHBondContact O-OG 3.08Å; R406-S411 WeakPolarHBondContact O-CB 2.96Å; R406-S411 PolarHBondContact O-OG 2.88Å; D408-S411 WeakPolarHBondContact O-CB 3.35Å; D408-S411 PolarHBondContact O-N 3.14Å; D408-S411 VanDerWaalsContact O-N 3.15Å
412D98.5Very high98.2Very high26 Ų2631.3 Ų31.314%0.13918%0.184CC..BIsolated β-bridgetrans-64.5142.4173.1-69.4-14.1000109.4H403 K404 D414 R473H403-D412 WeakPolarHBondContact O-CB 3.5Å; H403-D412 PolarHBondContact O-N 2.95Å; K404-D412 HydrophobicContact CD-CB 4.38Å; K404-D412 WeakPolarHBondContact CE-OD2 3.41Å; K404-D412 IonicContact NZ-OD2 3.14Å; K404-D412 PolarHBondContact NZ-OD2 2.76Å; D412-D414 PolarHBondContact O-N 3.22Å; D412-R473 IonicContact OD2-NH2 3.56Å
413A98.3Very high98.2Very high0 Ų032 Ų320%019%0.187CC..  trans-79.762.9178.800000111.4I44 G47 I49 V453 A455 G456I44-A413 HydrophobicContact CB-CB 4.25Å; I44-A413 HydrophobicContact CD1-CB 4.07Å; I44-A413 HydrophobicContact CG1-CB 3.91Å; I44-A413 HydrophobicContact CG2-CB 3.34Å; G47-A413 WeakPolarHBondContact O-CB 3.48Å; G47-A413 PolarHBondContact O-N 3.48Å; I49-A413 HydrophobicContact CG1-CB 4.28Å; A413-V453 WeakPolarHBondContact O-CG1 3.49Å; A413-A455 PolarHBondContact O-N 2.78Å; A413-G456 PolarHBondContact O-N 3.22Å
414D98.7Very high98.1Very high8 Ų829.4 Ų29.44%0.04317%0.173CC..  trans-106.495.7173.4-81.2-4000108.6G75 T109 K404 D412 V453 S454 A455G75-D414 PolarHBondContact N-O 3.27Å; T109-D414 HydrophobicContact CG2-CB 4.38Å; T109-D414 WeakPolarHBondContact OG1-CB 3.27Å; K404-D414 WeakPolarHBondContact CD-OD2 3.4Å; K404-D414 WeakPolarHBondContact CE-OD2 3.32Å; K404-D414 IonicContact NZ-OD2 2.79Å; K404-D414 PolarHBondContact NZ-OD2 3.14Å; D412-D414 PolarHBondContact O-N 3.22Å; D414-V453 CarbonylContact C-O 3.54Å; D414-V453 WeakPolarHBondContact CA-O 3.41Å; D414-S454 WeakPolarHBondContact OD1-CA 3.3Å; D414-A455 PolarHBondContact OD1-N 3.4Å
415L98.7Very high98.1Very high1 Ų133.4 Ų33.41%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-135.2150.6-165.3-58.1173.3000111.1I26 I42 I44 I49 V72 I73 I407 V453I26-L415 HydrophobicContact CD1-CB 4.39Å; I26-L415 HydrophobicContact CD1-CD1 3.63Å; I42-L415 HydrophobicContact CD1-CD1 4.33Å; I42-L415 HydrophobicContact CG2-CD1 4.2Å; I44-L415 HydrophobicContact CD1-CD1 3.59Å; I44-L415 HydrophobicContact CG1-CD1 4.4Å; I49-L415 HydrophobicContact CD1-CD1 4.46Å; I49-L415 HydrophobicContact CD1-CD2 4.07Å; V72-L415 HydrophobicContact CG1-CB 4.46Å; I73-L415 WeakPolarHBondContact O-CA 3.42Å; I407-L415 HydrophobicContact CB-CD2 4.48Å; I407-L415 HydrophobicContact CD1-CD2 3.69Å; I407-L415 HydrophobicContact CG1-CD2 3.52Å; I407-L415 HydrophobicContact CG2-CD2 4.44Å; L415-V453 HydrophobicContact CB-CB 4.26Å; L415-V453 PolarHBondContact N-O 2.92Å; L415-V453 PolarHBondContact O-N 3.02Å
416V98.8Very high98.1Very high0 Ų033.2 Ų33.20%020%0.195CC..EExtended strand (participates in β ladder)trans-126.8125.8172.4-176.80000108.7V72 I73 G107 W418 P449 V451 V452V72-V416 WeakPolarHBondContact CA-O 3.4Å; I73-V416 HydrophobicContact CD1-CB 4.29Å; I73-V416 HydrophobicContact CG1-CB 3.76Å; I73-V416 HydrophobicContact CG1-CG1 4.46Å; I73-V416 PolarHBondContact N-O 3.02Å; I73-V416 PolarHBondContact O-N 3.46Å; G107-V416 VanDerWaalsContact O-CG2 3.24Å; G107-V416 WeakPolarHBondContact O-CG2 3.29Å; V416-W418 HydrophobicContact CG1-CB 4.37Å; V416-W418 HydrophobicContact CG1-CE3 3.91Å; V416-W418 PolarHBondContact O-N 3.2Å; V416-P449 HydrophobicContact CG1-CB 3.69Å; V416-V451 CarbonylContact C-O 3.53Å; V416-V451 WeakPolarHBondContact CA-O 3.47Å; V416-V452 HydrophobicContact CG1-CG2 4.23Å; V416-V452 HydrophobicContact CG2-CG1 4.4Å; V416-V452 HydrophobicContact CG2-CG2 4.23Å
417I98.7Very high98Very high1 Ų132.3 Ų32.31%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-82.1107162.8-56.1179.7000106.1I26 I65 A67 R70 M71 V450 V451I26-I417 HydrophobicContact CG2-CD1 3.96Å; I26-I417 HydrophobicContact CG2-CG1 4.32Å; I65-I417 HydrophobicContact CB-CD1 4.35Å; I65-I417 HydrophobicContact CG2-CD1 3.38Å; A67-I417 HydrophobicContact CB-CD1 4Å; A67-I417 HydrophobicContact CB-CG1 4.39Å; A67-I417 HydrophobicContact CB-CG2 4.08Å; R70-I417 HydrophobicContact CB-CG2 3.81Å; R70-I417 HydrophobicContact CG-CG2 4.41Å; M71-I417 CarbonylContact O-C 3.51Å; M71-I417 WeakPolarHBondContact O-CA 3.42Å; I417-V450 PolarHBondContact O-N 3.33Å; I417-V451 HydrophobicContact CB-CB 3.92Å; I417-V451 HydrophobicContact CB-CG2 4.33Å; I417-V451 HydrophobicContact CD1-CB 3.85Å; I417-V451 HydrophobicContact CD1-CG1 4.32Å; I417-V451 HydrophobicContact CD1-CG2 3.97Å; I417-V451 HydrophobicContact CG1-CB 3.99Å; I417-V451 PolarHBondContact N-O 2.86Å; I417-V451 PolarHBondContact O-N 3.39Å
418W98.7Very high97.9Very high0 Ų033.4 Ų33.40%020%0.204CC..EExtended strand (participates in β ladder)trans-105.4124.7-171.7-172.5-90.6000110.4M71 I73 M368 W372 F386 V416 G447 P449M71-W418 HydrophobicContact CB-CB 4.42Å; M71-W418 PolarHBondContact N-O 2.99Å; M71-W418 PolarHBondContact O-N 3.3Å; I73-W418 HydrophobicContact CD1-CB 3.92Å; I73-W418 HydrophobicContact CD1-CD2 4.12Å; I73-W418 HydrophobicContact CD1-CE3 4.16Å; I73-W418 HydrophobicContact CD1-CG 4.05Å; I73-W418 HydrophobicContact CG1-CB 4.2Å; I73-W418 HydrophobicContact CG2-CB 4.46Å; M368-W418 HydrophobicContact CB-CH2 3.7Å; M368-W418 HydrophobicContact CB-CZ3 3.93Å; M368-W418 HydrophobicContact CE-CZ3 4.41Å; W372-W418 HydrophobicContact CB-CZ2 3.87Å; W372-W418 HydrophobicContact CD2-CZ2 4.18Å; W372-W418 AromaticContact CD2-NE1 3.38Å; W372-W418 AromaticContact CE2-NE1 3.66Å; W372-W418 HydrophobicContact CE3-CZ2 4.34Å; W372-W418 AromaticContact CE3-NE1 3.38Å; W372-W418 AromaticContact CG-CZ2 3.97Å; W372-W418 HydrophobicContact CG-CZ2 3.97Å; W372-W418 AromaticContact CG-NE1 3.98Å; W372-W418 AromaticContact CZ2-NE1 4Å; W372-W418 AromaticContact CZ3-NE1 3.74Å; F386-W418 HydrophobicContact CZ-CZ2 4.26Å; V416-W418 HydrophobicContact CG1-CB 4.37Å; V416-W418 HydrophobicContact CG1-CE3 3.91Å; V416-W418 PolarHBondContact O-N 3.2Å; W418-G447 VanDerWaalsContact CE2-C 3.5Å; W418-G447 VanDerWaalsContact CE2-CA 3.44Å; W418-G447 VanDerWaalsContact CH2-O 3.24Å; W418-G447 WeakPolarHBondContact CH2-O 3.32Å; W418-G447 WeakPolarHBondContact CZ2-O 3.46Å; W418-P449 HydrophobicContact CE3-CB 4.16Å; W418-P449 HydrophobicContact CZ3-CB 4.12Å; W418-P449 HydrophobicContact CZ3-CG 4.24Å
419D98Very high97.8Very high34 Ų3438.9 Ų38.918%0.18222%0.224CC..EExtended strand (participates in β ladder)trans-98.3104.4172.9-165-36.2000108.5R70 D421 A422 G447 V448 V450R70-D419 HydrophobicContact CG-CB 4.42Å; R70-D419 IonicContact NE-OD2 3.59Å; R70-D419 PolarHBondContact NE-OD2 3.21Å; R70-D419 IonicContact NH2-OD2 2.66Å; D419-D421 VanDerWaalsContact C-N 3.27Å; D419-D421 PolarHBondContact O-N 3.04Å; D419-D421 PolarHBondContact OD1-N 3.21Å; D419-A422 HydrophobicContact CB-CB 3.74Å; D419-A422 PolarHBondContact OD1-N 2.6Å; D419-G447 VanDerWaalsContact O-CA 3.24Å; D419-G447 WeakPolarHBondContact O-CA 3.5Å; D419-V448 PolarHBondContact N-O 3.47Å; D419-V448 PolarHBondContact O-N 2.78Å; D419-V450 HydrophobicContact CB-CG2 3.51Å
420G97Very high97.5Very high8 Ų840.4 Ų40.48%0.08223%0.23CC..EExtended strand (participates in β ladder)trans-71.2-21.1-17400000114.1W372 G447W372-G420 PolarHBondContact NE1-O 2.79Å; W372-G420 VanDerWaalsContact NE1-O 3.12Å; G420-G447 PolarHBondContact O-N 2.85Å
421D96.6Very high97.3Very high133 Ų13339.9 Ų39.971%0.71122%0.218SC*.EExtended strand (participates in β ladder)trans-102.3-22-176.9-62.7-44.2000112D419D419-D421 VanDerWaalsContact C-N 3.27Å; D419-D421 PolarHBondContact O-N 3.04Å; D419-D421 PolarHBondContact OD1-N 3.21Å
422A97.1Very high97.2Very high32 Ų3242.2 Ų42.226%0.26423%0.228SC..EExtended strand (participates in β ladder)trans-59.9140.2172.800000111.3D419 H446 G447 V448D419-A422 HydrophobicContact CB-CB 3.74Å; D419-A422 PolarHBondContact OD1-N 2.6Å; A422-H446 CarbonylContact O-C 3.5Å; A422-H446 VanDerWaalsContact O-CA 3.28Å; A422-H446 WeakPolarHBondContact O-CA 3.48Å; A422-G447 PolarHBondContact O-N 2.88Å; A422-V448 HydrophobicContact CB-CB 4.2Å; A422-V448 HydrophobicContact CB-CG2 4.24Å
423T97.6Very high97Very high74 Ų7441.5 Ų41.545%0.45422%0.224SC..EExtended strand (participates in β ladder)trans-112.6146.2-178.8610000111.9C445 H446T423-C445 CarbonylContact C-O 3.57Å; T423-C445 VanDerWaalsContact CA-O 3.29Å; T423-C445 WeakPolarHBondContact CA-O 3.36Å; T423-H446 VanDerWaalsContact CG2-CD2 3.45Å; T423-H446 WeakPolarHBondContact CG2-CD2 3.45Å
424R96.8Very high96.9Very high55 Ų5544.9 Ų44.921%0.20824%0.242CC..EExtended strand (participates in β ladder)trans-134.1153.2164.470.2-179.6-171.8106.76.8111.1D366 S369 Q444 C445 V448D366-R424 IonicContact OD1-CZ 3.69Å; D366-R424 IonicContact OD1-NH1 3.57Å; D366-R424 PolarHBondContact OD1-NH1 3.32Å; D366-R424 IonicContact OD1-NH2 3.99Å; D366-R424 PolarHBondContact OD1-NH2 3.1Å; S369-R424 PolarHBondContact OG-NE 3.36Å; S369-R424 VanDerWaalsContact OG-NE 3.15Å; S369-R424 PolarHBondContact OG-NH2 2.71Å; R424-Q444 WeakPolarHBondContact O-CA 3.5Å; R424-C445 PolarHBondContact N-O 2.83Å; R424-C445 PolarHBondContact O-N 3.26Å; R424-V448 HydrophobicContact CB-CG2 4.01Å; R424-V448 HydrophobicContact CG-CG2 3.93Å
425T98Very high96.7Very high86 Ų8645.2 Ų45.253%0.52824%0.244SC..EExtended strand (participates in β ladder)trans-102.7121.1167.8-58.80000108.4L443T425-L443 WeakPolarHBondContact CA-O 3.39Å
426I98.1Very high96.6Very high1 Ų148.1 Ų48.11%0.00526%0.26CS..  trans-70133180-62.1169.8000109.3D366 V370 N438 F440 G442 L443D366-I426 HydrophobicContact CB-CD1 3.97Å; V370-I426 HydrophobicContact CG2-CD1 3.94Å; I426-N438 VanDerWaalsContact CG2-ND2 3.3Å; I426-N438 WeakPolarHBondContact CG2-ND2 3.35Å; I426-F440 HydrophobicContact CB-CB 4.3Å; I426-F440 HydrophobicContact CD1-CB 3.77Å; I426-F440 HydrophobicContact CD1-CG 4.41Å; I426-F440 HydrophobicContact CG2-CB 3.98Å; I426-G442 PolarHBondContact O-N 2.97Å; I426-L443 HydrophobicContact CD1-CB 4.46Å; I426-L443 HydrophobicContact CD1-CD2 4.44Å; I426-L443 PolarHBondContact N-O 3.35Å
427S97.5Very high96.5Very high21 Ų2149.7 Ų49.715%0.14727%0.267CS..  trans-152.3137.8175.9-175.30000111.9K429 N430 N431 E441S427-K429 PolarHBondContact O-N 3.25Å; S427-K429 VanDerWaalsContact O-N 3.1Å; S427-K429 PolarHBondContact OG-N 3.2Å; S427-N430 PolarHBondContact O-N 3.29Å; S427-N430 VanDerWaalsContact O-N 3.07Å; S427-N431 PolarHBondContact O-N 3.36Å; S427-E441 WeakPolarHBondContact CA-OE1 3.38Å; S427-E441 WeakPolarHBondContact CA-OE2 3.38Å; S427-E441 VanDerWaalsContact CB-OE1 3.23Å; S427-E441 WeakPolarHBondContact CB-OE1 3.26Å; S427-E441 PolarHBondContact OG-OE1 3.5Å
428A96.7Very high96.4Very high24 Ų2449.7 Ų49.720%0.19827%0.267CS..THydrogen-bonded Turntrans-61.1-14172.300000113.4N430 N431 N438 E441A428-N430 VanDerWaalsContact C-N 3.33Å; A428-N431 PolarHBondContact O-OD1 3.32Å; A428-N438 HydrophobicContact CB-CB 3.96Å; A428-E441 WeakPolarHBondContact CB-OE2 3.38Å; A428-E441 PolarHBondContact N-OE2 2.72Å
429K95.9Very high96.4Very high185 Ų18549.9 Ų49.980%0.80427%0.268SS*.THydrogen-bonded Turntrans-74-26.4174.3-68.9-179-179.91750113.2S427S427-K429 PolarHBondContact O-N 3.25Å; S427-K429 VanDerWaalsContact O-N 3.1Å; S427-K429 PolarHBondContact OG-N 3.2Å
430N92.2Very high96.4Very high120 Ų12048.6 Ų48.664%0.64226%0.261SS*.THydrogen-bonded Turntrans-120.12.5-171-60.7-23.3000112.7S427 A428S427-N430 PolarHBondContact O-N 3.29Å; S427-N430 VanDerWaalsContact O-N 3.07Å; A428-N430 VanDerWaalsContact C-N 3.33Å
431N92.8Very high96.5Very high28 Ų2852.8 Ų52.815%0.1528%0.278CS..  trans-72.8164.1176.969.3-11000111S427 A428S427-N431 PolarHBondContact O-N 3.36Å; A428-N431 PolarHBondContact O-OD1 3.32Å
432H96.6Very high96.5Very high49 Ų4948.8 Ų48.823%0.22727%0.269CS..SBendtrans-105.9-2.6179-61.482.5000112.3A102 A105 E365A102-H432 HydrophobicContact CB-CB 4.18Å; A105-H432 HydrophobicContact CB-CB 4.24Å; E365-H432 IonicContact OE1-CE1 3.76Å; E365-H432 IonicContact OE1-CG 3.46Å; E365-H432 IonicContact OE1-ND1 2.88Å; E365-H432 PolarHBondContact OE1-ND1 2.57Å; E365-H432 WeakPolarHBondContact OE2-CB 3.47Å; E365-H432 PolarHBondContact OE2-N 2.96Å; E365-H432 IonicContact OE2-ND1 2.91Å
433E95.1Very high96.5Very high11 Ų1148.9 Ų48.95%0.05126%0.264CS..SBendtrans-73.7148.8173.2-56.6174.6148.500110.9A102 H339 N362 G363 V364 E365 V435A102-E433 HydrophobicContact CB-CB 4.37Å; A102-E433 HydrophobicContact CB-CG 3.55Å; H339-E433 IonicContact CE1-OE1 2.78Å; H339-E433 PolarHBondContact CE1-OE1 3.45Å; H339-E433 IonicContact ND1-OE1 3.8Å; H339-E433 PolarHBondContact ND1-OE1 3.09Å; N362-E433 WeakPolarHBondContact CB-OE2 3.35Å; N362-E433 PolarHBondContact ND2-OE2 2.71Å; G363-E433 PolarHBondContact N-OE1 3.49Å; G363-E433 VanDerWaalsContact N-OE1 3.1Å; V364-E433 HydrophobicContact CG1-CG 4.37Å; V364-E433 PolarHBondContact N-OE1 3.02Å; V364-E433 VanDerWaalsContact N-OE1 3.16Å; E365-E433 HydrophobicContact CB-CG 4.3Å; E433-V435 HydrophobicContact CB-CG1 3.94Å; E433-V435 PolarHBondContact O-N 3.07Å; E433-V435 VanDerWaalsContact O-N 3.14Å
434N95.3Very high96.6Very high72 Ų7250.8 Ų50.839%0.38527%0.268SS..SBendtrans-88.244.9179.2-173.825.5000112.1S93 D94 K343S93-N434 VanDerWaalsContact CB-O 3.27Å; S93-N434 WeakPolarHBondContact CB-O 3.35Å; S93-N434 PolarHBondContact O-ND2 3.37Å; S93-N434 PolarHBondContact OG-O 3.26Å; D94-N434 WeakPolarHBondContact OD1-CB 3.36Å; D94-N434 PolarHBondContact OD1-N 3.07Å; D94-N434 PolarHBondContact OD2-N 2.81Å; K343-N434 WeakPolarHBondContact CE-O 3.29Å; K343-N434 WeakPolarHBondContact CE-OD1 3.35Å; K343-N434 PolarHBondContact NZ-OD1 2.84Å
435V95.3Very high96.6Very high14 Ų1448.2 Ų48.29%0.08526%0.258CS..  trans-130.9144-179.864.90000110.3T341 N362 E433 F437T341-V435 HydrophobicContact CG2-CB 4.32Å; T341-V435 HydrophobicContact CG2-CG1 4.11Å; N362-V435 HydrophobicContact CB-CG1 4.16Å; E433-V435 HydrophobicContact CB-CG1 3.94Å; E433-V435 PolarHBondContact O-N 3.07Å; E433-V435 VanDerWaalsContact O-N 3.14Å; V435-F437 VanDerWaalsContact C-N 3.3Å; V435-F437 WeakPolarHBondContact CG1-O 3.34Å; V435-F437 PolarHBondContact O-N 3.38Å
436D95.7Very high96.7Very high63 Ų6346.6 Ų46.634%0.33725%0.245SC..SBendtrans-94.422.4-176.168.8-41.2000113.2R302 K343 T344R302-D436 IonicContact CZ-OD2 3.81Å; R302-D436 IonicContact NH1-OD2 2.77Å; R302-D436 PolarHBondContact NH2-O 3Å; R302-D436 IonicContact NH2-OD2 3.68Å; R302-D436 PolarHBondContact NH2-OD2 2.83Å; K343-D436 VanDerWaalsContact CA-OD1 3.31Å; K343-D436 WeakPolarHBondContact CA-OD1 3.18Å; T344-D436 VanDerWaalsContact CB-OD2 3.28Å; T344-D436 WeakPolarHBondContact CB-OD2 3.46Å; T344-D436 PolarHBondContact N-OD1 3.05Å; T344-D436 VanDerWaalsContact OG1-CG 3.29Å; T344-D436 PolarHBondContact OG1-OD1 3.44Å; T344-D436 PolarHBondContact OG1-OD2 3.45Å
437F96.8Very high96.7Very high33 Ų3346.6 Ų46.615%0.14525%0.245CC..  trans-151.6142.1-178.5-170.2-93.9000110Y307 V435 I439Y307-F437 HydrophobicContact CD2-CE1 4.19Å; Y307-F437 HydrophobicContact CD2-CZ 4.13Å; Y307-F437 AromaticContact CE2-CE1 3.9Å; Y307-F437 HydrophobicContact CE2-CE1 3.9Å; Y307-F437 AromaticContact CE2-CZ 3.66Å; Y307-F437 HydrophobicContact CE2-CZ 3.66Å; V435-F437 VanDerWaalsContact C-N 3.3Å; V435-F437 WeakPolarHBondContact CG1-O 3.34Å; V435-F437 PolarHBondContact O-N 3.38Å; F437-I439 HydrophobicContact CD1-CG2 4.29Å; F437-I439 HydrophobicContact CE1-CG2 3.91Å
438N98Very high96.7Very high1 Ų147 Ų471%0.00525%0.246CC..  trans-129.6124173.6-167.2-41.3000109.5N362 D366 I426 A428 F440 E441N362-N438 PolarHBondContact ND2-ND2 3.01Å; N362-N438 PolarHBondContact ND2-OD1 3.21Å; N362-N438 VanDerWaalsContact ND2-OD1 3.14Å; N362-N438 WeakPolarHBondContact OD1-CA 3.35Å; D366-N438 PolarHBondContact OD2-ND2 3.18Å; D366-N438 PolarHBondContact OD2-OD1 2.81Å; I426-N438 VanDerWaalsContact CG2-ND2 3.3Å; I426-N438 WeakPolarHBondContact CG2-ND2 3.35Å; A428-N438 HydrophobicContact CB-CB 3.96Å; N438-F440 PolarHBondContact O-N 3.42Å; N438-F440 VanDerWaalsContact O-N 3.15Å; N438-F440 WeakPolarHBondContact OD1-CD2 3.27Å; N438-F440 PolarHBondContact OD1-N 2.73Å; N438-E441 WeakPolarHBondContact O-CB 2.85Å; N438-E441 PolarHBondContact O-N 2.88Å; N438-E441 VanDerWaalsContact O-N 3.13Å
439I98.3Very high96.7Very high4 Ų446.4 Ų46.42%0.02124%0.24CC..THydrogen-bonded Turntrans-68.4-8.7179.964.3160.1000113.4A287 Y307 V361 N362 F437A287-I439 HydrophobicContact CB-CD1 3.38Å; Y307-I439 HydrophobicContact CD1-CB 4.01Å; Y307-I439 HydrophobicContact CD1-CG2 3.99Å; Y307-I439 HydrophobicContact CE1-CB 3.62Å; Y307-I439 HydrophobicContact CE1-CG2 4.05Å; Y307-I439 WeakPolarHBondContact CE1-O 3.45Å; Y307-I439 HydrophobicContact CG-CG2 4.33Å; Y307-I439 PolarHBondContact OH-O 2.81Å; V361-I439 HydrophobicContact CB-CD1 4.11Å; V361-I439 HydrophobicContact CB-CG2 4Å; V361-I439 HydrophobicContact CG1-CG2 4.02Å; V361-I439 HydrophobicContact CG2-CD1 4.02Å; N362-I439 WeakPolarHBondContact OD1-CG1 3.29Å; N362-I439 PolarHBondContact OD1-N 3.17Å; F437-I439 HydrophobicContact CD1-CG2 4.29Å; F437-I439 HydrophobicContact CE1-CG2 3.91Å
440F98.3Very high96.8Very high7 Ų739.2 Ų39.23%0.03121%0.212CC..THydrogen-bonded Turntrans-109.618.3175.9-46.6-66000112A286 D366 V370 I426 N438 G442 L443A286-F440 HydrophobicContact CB-CZ 4.02Å; D366-F440 HydrophobicContact CB-CD2 3.68Å; D366-F440 HydrophobicContact CB-CE2 3.96Å; V370-F440 HydrophobicContact CG1-CE1 4.23Å; V370-F440 HydrophobicContact CG2-CD1 4.03Å; V370-F440 HydrophobicContact CG2-CD2 4.11Å; V370-F440 HydrophobicContact CG2-CE1 4.15Å; V370-F440 HydrophobicContact CG2-CE2 4.22Å; V370-F440 HydrophobicContact CG2-CG 4Å; V370-F440 HydrophobicContact CG2-CZ 4.24Å; I426-F440 HydrophobicContact CB-CB 4.3Å; I426-F440 HydrophobicContact CD1-CB 3.77Å; I426-F440 HydrophobicContact CD1-CG 4.41Å; I426-F440 HydrophobicContact CG2-CB 3.98Å; N438-F440 PolarHBondContact O-N 3.42Å; N438-F440 VanDerWaalsContact O-N 3.15Å; N438-F440 WeakPolarHBondContact OD1-CD2 3.27Å; N438-F440 PolarHBondContact OD1-N 2.73Å; F440-G442 PolarHBondContact O-N 3.33Å; F440-L443 HydrophobicContact CB-CB 4.25Å; F440-L443 HydrophobicContact CB-CD2 4.28Å; F440-L443 HydrophobicContact CD1-CD2 4.42Å; F440-L443 WeakPolarHBondContact O-CB 3.48Å; F440-L443 PolarHBondContact O-N 3.05Å
441E98.1Very high97.1Very high96 Ų9633.8 Ų33.845%0.44918%0.183SC..THydrogen-bonded Turntrans-50.2125-178.5-171.968.7-140.800112S427 A428 N438 L443S427-E441 WeakPolarHBondContact CA-OE1 3.38Å; S427-E441 WeakPolarHBondContact CA-OE2 3.38Å; S427-E441 VanDerWaalsContact CB-OE1 3.23Å; S427-E441 WeakPolarHBondContact CB-OE1 3.26Å; S427-E441 PolarHBondContact OG-OE1 3.5Å; A428-E441 WeakPolarHBondContact CB-OE2 3.38Å; A428-E441 PolarHBondContact N-OE2 2.72Å; N438-E441 WeakPolarHBondContact O-CB 2.85Å; N438-E441 PolarHBondContact O-N 2.88Å; N438-E441 VanDerWaalsContact O-N 3.13Å; E441-L443 VanDerWaalsContact C-N 3.26Å; E441-L443 PolarHBondContact O-N 3.35Å
442G97.6Very high97.4Very high49 Ų4932.4 Ų32.451%0.50518%0.176SC..THydrogen-bonded Turntrans80.6-4.7179.800000115I426 F440 Q444I426-G442 PolarHBondContact O-N 2.97Å; F440-G442 PolarHBondContact O-N 3.33Å; G442-Q444 PolarHBondContact O-N 2.81Å
443L97.2Very high97.5Very high34 Ų3430.1 Ų30.118%0.17817%0.165CC..  trans-66.4121.4175.3-17464.9000109.7V370 T425 I426 F440 E441V370-L443 HydrophobicContact CG2-CD2 4.17Å; T425-L443 WeakPolarHBondContact CA-O 3.39Å; I426-L443 HydrophobicContact CD1-CB 4.46Å; I426-L443 HydrophobicContact CD1-CD2 4.44Å; I426-L443 PolarHBondContact N-O 3.35Å; F440-L443 HydrophobicContact CB-CB 4.25Å; F440-L443 HydrophobicContact CB-CD2 4.28Å; F440-L443 HydrophobicContact CD1-CD2 4.42Å; F440-L443 WeakPolarHBondContact O-CB 3.48Å; F440-L443 PolarHBondContact O-N 3.05Å; E441-L443 VanDerWaalsContact C-N 3.26Å; E441-L443 PolarHBondContact O-N 3.35Å
444Q98Very high97.6Very high114 Ų11430 Ų3053%0.53317%0.166SC..EExtended strand (participates in β ladder)trans-84123.4170.1-171175.933.300108.5R424 G442R424-Q444 WeakPolarHBondContact O-CA 3.5Å; G442-Q444 PolarHBondContact O-N 2.81Å
445C98.2Very high97.6Very high0 Ų027.6 Ų27.60%016%0.156CC..EExtended strand (participates in β ladder)trans-122.9134.5177.4-62.50000110.2E373 T423 R424E373-C445 HydrophobicContact CB-CB 4Å; E373-C445 HydrophobicContact CG-CB 4.39Å; T423-C445 CarbonylContact C-O 3.57Å; T423-C445 VanDerWaalsContact CA-O 3.29Å; T423-C445 WeakPolarHBondContact CA-O 3.36Å; R424-C445 PolarHBondContact N-O 2.83Å; R424-C445 PolarHBondContact O-N 3.26Å
446H98.5Very high97.7Very high53 Ų5327 Ų2725%0.24515%0.152CC..EExtended strand (participates in β ladder)trans-75.4165.3157.1-56.374.8000109.9W372 E373 M377 A422 T423W372-H446 VanDerWaalsContact CD1-C 3.44Å; E373-H446 IonicContact OE2-CG 3.38Å; E373-H446 PolarHBondContact OE2-N 3.2Å; E373-H446 IonicContact OE2-ND1 2.95Å; E373-H446 PolarHBondContact OE2-ND1 3.39Å; M377-H446 HydrophobicContact CE-CB 4.2Å; M377-H446 HydrophobicContact CG-CB 3.71Å; M377-H446 HydrophobicContact SD-CB 3.8Å; A422-H446 CarbonylContact O-C 3.5Å; A422-H446 VanDerWaalsContact O-CA 3.28Å; A422-H446 WeakPolarHBondContact O-CA 3.48Å; T423-H446 VanDerWaalsContact CG2-CD2 3.45Å; T423-H446 WeakPolarHBondContact CG2-CD2 3.45Å
447G98Very high97.7Very high0 Ų030.2 Ų30.20%016%0.16CC..EExtended strand (participates in β ladder)trans81.199.1179.700000111.3S369 W418 D419 G420 A422S369-G447 WeakPolarHBondContact CB-O 3.42Å; S369-G447 PolarHBondContact OG-O 3.33Å; W418-G447 VanDerWaalsContact CE2-C 3.5Å; W418-G447 VanDerWaalsContact CE2-CA 3.44Å; W418-G447 VanDerWaalsContact CH2-O 3.24Å; W418-G447 WeakPolarHBondContact CH2-O 3.32Å; W418-G447 WeakPolarHBondContact CZ2-O 3.46Å; D419-G447 VanDerWaalsContact O-CA 3.24Å; D419-G447 WeakPolarHBondContact O-CA 3.5Å; G420-G447 PolarHBondContact O-N 2.85Å; A422-G447 PolarHBondContact O-N 2.88Å
448V97.5Very high97.7Very high29 Ų2929.9 Ų29.918%0.17616%0.16CC..EExtended strand (participates in β ladder)trans-127.7134.7-177.3-178.90000109.9D419 A422 R424 V450D419-V448 PolarHBondContact N-O 3.47Å; D419-V448 PolarHBondContact O-N 2.78Å; A422-V448 HydrophobicContact CB-CB 4.2Å; A422-V448 HydrophobicContact CB-CG2 4.24Å; R424-V448 HydrophobicContact CB-CG2 4.01Å; R424-V448 HydrophobicContact CG-CG2 3.93Å; V448-V450 PolarHBondContact O-N 2.93Å
449P98Very high97.7Very high12 Ų1230.6 Ų30.68%0.07817%0.165CC..EExtended strand (participates in β ladder)trans-69.8114.4169.929.7-32.8000109.3A105 V416 W418 V452 L460A105-P449 WeakPolarHBondContact O-CG 3.37Å; V416-P449 HydrophobicContact CG1-CB 3.69Å; W418-P449 HydrophobicContact CE3-CB 4.16Å; W418-P449 HydrophobicContact CZ3-CB 4.12Å; W418-P449 HydrophobicContact CZ3-CG 4.24Å; P449-V452 HydrophobicContact CB-CG2 3.85Å; P449-L460 HydrophobicContact CB-CD2 4.26Å; P449-L460 HydrophobicContact CG-CD2 4.29Å
450V97.7Very high97.7Very high34 Ų3431 Ų3121%0.20617%0.167CC..EExtended strand (participates in β ladder)trans-89-39.6178.2179.50000110.9I417 D419 V448I417-V450 PolarHBondContact O-N 3.33Å; D419-V450 HydrophobicContact CB-CG2 3.51Å; V448-V450 PolarHBondContact O-N 2.93Å
451V98.4Very high97.6Very high6 Ų632.8 Ų32.84%0.03618%0.175CC..EExtended strand (participates in β ladder)trans-134.5135.6173.5-175.50000108.7I65 V416 I417 V453 V458 L460 E461I65-V451 HydrophobicContact CD1-CG1 4.37Å; I65-V451 HydrophobicContact CG2-CG1 4.48Å; I65-V451 HydrophobicContact CG2-CG2 4.24Å; V416-V451 CarbonylContact C-O 3.53Å; V416-V451 WeakPolarHBondContact CA-O 3.47Å; I417-V451 HydrophobicContact CB-CB 3.92Å; I417-V451 HydrophobicContact CB-CG2 4.33Å; I417-V451 HydrophobicContact CD1-CB 3.85Å; I417-V451 HydrophobicContact CD1-CG1 4.32Å; I417-V451 HydrophobicContact CD1-CG2 3.97Å; I417-V451 HydrophobicContact CG1-CB 3.99Å; I417-V451 PolarHBondContact N-O 2.86Å; I417-V451 PolarHBondContact O-N 3.39Å; V451-V453 HydrophobicContact CG1-CG2 4.35Å; V451-V458 HydrophobicContact CG1-CG1 3.9Å; V451-L460 CarbonylContact C-O 3.43Å; V451-L460 WeakPolarHBondContact CA-O 3.39Å; V451-L460 WeakPolarHBondContact CG1-O 3.32Å; V451-E461 HydrophobicContact CG2-CG 4.21Å
452V98.6Very high97.2Very high0 Ų035 Ų350%019%0.19CC..EExtended strand (participates in β ladder)trans-121.4128.3172.9-178.50000108.7L104 T109 V416 P449 V459 L460L104-V452 HydrophobicContact CD2-CG1 4.07Å; L104-V452 WeakPolarHBondContact O-CG2 3.32Å; T109-V452 HydrophobicContact CG2-CG1 3.84Å; V416-V452 HydrophobicContact CG1-CG2 4.23Å; V416-V452 HydrophobicContact CG2-CG1 4.4Å; V416-V452 HydrophobicContact CG2-CG2 4.23Å; P449-V452 HydrophobicContact CB-CG2 3.85Å; V452-V459 HydrophobicContact CB-CG2 4.02Å; V452-V459 HydrophobicContact CG1-CG2 3.85Å; V452-V459 WeakPolarHBondContact O-CG2 3.21Å; V452-V459 PolarHBondContact O-N 3.03Å; V452-L460 HydrophobicContact CB-CB 3.8Å; V452-L460 HydrophobicContact CG2-CB 3.96Å; V452-L460 HydrophobicContact CG2-CD2 3.78Å; V452-L460 PolarHBondContact N-O 2.68Å; V452-L460 PolarHBondContact O-N 3.29Å
453V98.2Very high96.9Very high1 Ų136 Ų361%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-112.5124.8176.3-173.30000107.5L24 I26 A413 D414 L415 V451 R457 V458L24-V453 HydrophobicContact CD1-CG1 3.83Å; L24-V453 HydrophobicContact CD1-CG2 4.39Å; I26-V453 HydrophobicContact CD1-CG2 4.49Å; A413-V453 WeakPolarHBondContact O-CG1 3.49Å; D414-V453 CarbonylContact C-O 3.54Å; D414-V453 WeakPolarHBondContact CA-O 3.41Å; L415-V453 HydrophobicContact CB-CB 4.26Å; L415-V453 PolarHBondContact N-O 2.92Å; L415-V453 PolarHBondContact O-N 3.02Å; V451-V453 HydrophobicContact CG1-CG2 4.35Å; V453-R457 CarbonylContact C-O 3.57Å; V453-R457 VanDerWaalsContact CA-O 3.28Å; V453-R457 WeakPolarHBondContact CA-O 3.41Å; V453-V458 HydrophobicContact CG2-CG2 4.35Å
454S97.9Very high96.9Very high8 Ų839.5 Ų39.56%0.05622%0.216CC..EExtended strand (participates in β ladder)trans-124.2129.2173.2-176.60000109.7D414 G456 R457D414-S454 WeakPolarHBondContact OD1-CA 3.3Å; S454-G456 PolarHBondContact O-N 3.45Å; S454-G456 VanDerWaalsContact O-N 3.13Å; S454-R457 PolarHBondContact N-O 2.94Å; S454-R457 PolarHBondContact O-N 3.07Å
455A96.1Very high96.8Very high22 Ų2235.3 Ų35.318%0.18220%0.197CC..THydrogen-bonded Turntrans47.740-17400000112.7G47 A413 D414 R457G47-A455 VanDerWaalsContact CA-O 3.27Å; G47-A455 WeakPolarHBondContact CA-O 3.5Å; A413-A455 PolarHBondContact O-N 2.78Å; D414-A455 PolarHBondContact OD1-N 3.4Å; A455-R457 VanDerWaalsContact C-N 3.29Å; A455-R457 PolarHBondContact O-N 3.14Å
456G96Very high96.7Very high1 Ų143.1 Ų43.11%0.0123%0.226CC..THydrogen-bonded Turntrans71.714-179.400000115.7L24 A413 S454L24-G456 WeakPolarHBondContact CD1-O 3.34Å; A413-G456 PolarHBondContact O-N 3.22Å; S454-G456 PolarHBondContact O-N 3.45Å; S454-G456 VanDerWaalsContact O-N 3.13Å
457R96.2Very high96.6Very high131 Ų13141.9 Ų41.949%0.49422%0.223SC..EExtended strand (participates in β ladder)trans-113.6133.2174.8-62.9178.9-178.8150.72.5110.2V453 S454 A455 V459V453-R457 CarbonylContact C-O 3.57Å; V453-R457 VanDerWaalsContact CA-O 3.28Å; V453-R457 WeakPolarHBondContact CA-O 3.41Å; S454-R457 PolarHBondContact N-O 2.94Å; S454-R457 PolarHBondContact O-N 3.07Å; A455-R457 VanDerWaalsContact C-N 3.29Å; A455-R457 PolarHBondContact O-N 3.14Å; R457-V459 PolarHBondContact O-N 3.49Å
458V97.2Very high96.5Very high26 Ų2646.7 Ų46.716%0.15825%0.252CS..EExtended strand (participates in β ladder)trans-69.7116.8172.9-178.40000108.7L24 I65 V451 V453 E461L24-V458 HydrophobicContact CD1-CG2 3.88Å; L24-V458 HydrophobicContact CD2-CG2 4.23Å; I65-V458 HydrophobicContact CD1-CG2 3.43Å; I65-V458 VanDerWaalsContact CD1-CG2 3.43Å; V451-V458 HydrophobicContact CG1-CG1 3.9Å; V453-V458 HydrophobicContact CG2-CG2 4.35Å; V458-E461 HydrophobicContact CG1-CB 3.78Å
459V97.6Very high96.4Very high16 Ų1650.4 Ų50.410%0.09727%0.267CS..EExtended strand (participates in β ladder)trans-111.1-21.6-179.8-63.90000112.9L104 V452 R457 L465 R466 V467L104-V459 HydrophobicContact CB-CG2 4.33Å; L104-V459 HydrophobicContact CD1-CG2 4.17Å; L104-V459 HydrophobicContact CD2-CG2 4.03Å; L104-V459 HydrophobicContact CG-CG2 4.41Å; V452-V459 HydrophobicContact CB-CG2 4.02Å; V452-V459 HydrophobicContact CG1-CG2 3.85Å; V452-V459 WeakPolarHBondContact O-CG2 3.21Å; V452-V459 PolarHBondContact O-N 3.03Å; R457-V459 PolarHBondContact O-N 3.49Å; V459-L465 CarbonylContact O-C 3.56Å; V459-L465 WeakPolarHBondContact O-CA 3.47Å; V459-R466 PolarHBondContact O-N 2.99Å; V459-V467 HydrophobicContact CB-CG1 4.25Å
460L97.9Very high96.3Very high13 Ų1351.4 Ų51.47%0.06828%0.279CS..EExtended strand (participates in β ladder)trans-131.1131.5170.8-177.672.1000107.9P449 V451 V452 L465P449-L460 HydrophobicContact CB-CD2 4.26Å; P449-L460 HydrophobicContact CG-CD2 4.29Å; V451-L460 CarbonylContact C-O 3.43Å; V451-L460 WeakPolarHBondContact CA-O 3.39Å; V451-L460 WeakPolarHBondContact CG1-O 3.32Å; V452-L460 HydrophobicContact CB-CB 3.8Å; V452-L460 HydrophobicContact CG2-CB 3.96Å; V452-L460 HydrophobicContact CG2-CD2 3.78Å; V452-L460 PolarHBondContact N-O 2.68Å; V452-L460 PolarHBondContact O-N 3.29Å; L460-L465 HydrophobicContact CB-CD1 4.15Å; L460-L465 HydrophobicContact CD1-CB 3.98Å; L460-L465 HydrophobicContact CD1-CD1 4.08Å
461E96.3Very high96.3Very high43 Ų4351.4 Ų51.420%0.20128%0.283CS..EExtended strand (participates in β ladder)trans-163.3145.5172.3-176.5-176.6-124.100108.4R63 V451 V458 G463 E464R63-E461 IonicContact CZ-OE1 3.79Å; R63-E461 IonicContact CZ-OE2 3.62Å; R63-E461 IonicContact NH2-OE1 3.09Å; R63-E461 PolarHBondContact NH2-OE1 2.88Å; R63-E461 IonicContact NH2-OE2 3.79Å; R63-E461 PolarHBondContact NH2-OE2 3.06Å; V451-E461 HydrophobicContact CG2-CG 4.21Å; V458-E461 HydrophobicContact CG1-CB 3.78Å; E461-G463 PolarHBondContact O-N 2.94Å; E461-E464 PolarHBondContact N-O 3.4Å; E461-E464 PolarHBondContact O-N 3.06Å
462D91Very high96.2Very high144 Ų14451.4 Ų51.477%0.7728%0.284SS*.THydrogen-bonded Turntrans53.729.4179.1-59.5-33.5000114.1E464D462-E464 PolarHBondContact O-N 3.47Å
463G91.1Very high96.2Very high69 Ų6957.3 Ų57.371%0.71131%0.306SS*.THydrogen-bonded Turntrans75.50.6-176.800000114.7E461E461-G463 PolarHBondContact O-N 2.94Å
464E95.5Very high96.2Very high107 Ų10758.5 Ų58.550%0.531%0.312SS..EExtended strand (participates in β ladder)trans-98117.9177.4-68.1-168.6179.900111.7E461 D462 R466E461-E464 PolarHBondContact N-O 3.4Å; E461-E464 PolarHBondContact O-N 3.06Å; D462-E464 PolarHBondContact O-N 3.47Å; E464-R466 IonicContact OE2-CZ 3.66Å; E464-R466 VanDerWaalsContact OE2-CZ 3.3Å; E464-R466 IonicContact OE2-NE 3.5Å; E464-R466 PolarHBondContact OE2-NE 3.45Å; E464-R466 VanDerWaalsContact OE2-NE 3.16Å; E464-R466 IonicContact OE2-NH2 2.65Å; E464-R466 PolarHBondContact OE2-NH2 3.45Å
465L97Very high96.2Very high27 Ų2759.3 Ų59.314%0.14132%0.316CS..EExtended strand (participates in β ladder)trans-89.9112175.3-174.270.8000110.8R101 L104 A105 V459 L460 V467R101-L465 HydrophobicContact CG-CD2 3.34Å; R101-L465 HydrophobicContact CG-CG 4.4Å; R101-L465 WeakPolarHBondContact O-CD2 3.46Å; L104-L465 HydrophobicContact CB-CD1 4.24Å; A105-L465 HydrophobicContact CB-CD1 4.47Å; A105-L465 HydrophobicContact CB-CD2 4Å; V459-L465 CarbonylContact O-C 3.56Å; V459-L465 WeakPolarHBondContact O-CA 3.47Å; L460-L465 HydrophobicContact CB-CD1 4.15Å; L460-L465 HydrophobicContact CD1-CB 3.98Å; L460-L465 HydrophobicContact CD1-CD1 4.08Å; L465-V467 HydrophobicContact CD1-CG1 3.93Å; L465-V467 HydrophobicContact CG-CG1 4.03Å
466R96.6Very high96.3Very high164 Ų16461.8 Ų61.862%0.61933%0.33SS*.  trans-116.988.7-178.9-61.1179.1-175.3167.80.7110.1V459 E464V459-R466 PolarHBondContact O-N 2.99Å; E464-R466 IonicContact OE2-CZ 3.66Å; E464-R466 VanDerWaalsContact OE2-CZ 3.3Å; E464-R466 IonicContact OE2-NE 3.5Å; E464-R466 PolarHBondContact OE2-NE 3.45Å; E464-R466 VanDerWaalsContact OE2-NE 3.16Å; E464-R466 IonicContact OE2-NH2 2.65Å; E464-R466 PolarHBondContact OE2-NH2 3.45Å
467V95.7Very high96.3Very high27 Ų2761.8 Ų61.816%0.16433%0.33CS..  trans-107154.1-179.9-65.60000111.9Y97 R101 L104 C138 V459 L465Y97-V467 HydrophobicContact CE2-CG2 4.22Å; R101-V467 HydrophobicContact CB-CG2 4.29Å; R101-V467 HydrophobicContact CG-CG2 3.88Å; L104-V467 HydrophobicContact CD1-CG1 3.65Å; C138-V467 HydrophobicContact CB-CB 3.98Å; C138-V467 HydrophobicContact CB-CG1 4.19Å; C138-V467 HydrophobicContact CB-CG2 4.5Å; V459-V467 HydrophobicContact CB-CG1 4.25Å; L465-V467 HydrophobicContact CD1-CG1 3.93Å; L465-V467 HydrophobicContact CG-CG1 4.03Å
468T95.2Very high96.4Very high100 Ų10060.8 Ų60.861%0.61333%0.334SS*.  trans-115.9125.6172.5-61.50000108.9G470 A471T468-G470 PolarHBondContact O-N 3.26Å; T468-A471 HydrophobicContact CG2-CB 4.5Å; T468-A471 WeakPolarHBondContact O-CB 3.38Å; T468-A471 PolarHBondContact O-N 3.24Å
469Q95.9Very high96.4Very high108 Ų10861.4 Ų61.451%0.50534%0.339SS..THydrogen-bonded Turntrans-60.8130.9176.8-170.4-178.1-20.200110.6Y97 S135 K136 A471Y97-Q469 HydrophobicContact CD2-CB 3.92Å; Y97-Q469 HydrophobicContact CD2-CG 3.83Å; Y97-Q469 HydrophobicContact CE2-CB 4.09Å; Y97-Q469 HydrophobicContact CE2-CG 4.47Å; Y97-Q469 HydrophobicContact CG-CG 4.43Å; S135-Q469 WeakPolarHBondContact O-CG 3.48Å; S135-Q469 PolarHBondContact O-NE2 3.45Å; K136-Q469 WeakPolarHBondContact O-CG 3.45Å; Q469-A471 VanDerWaalsContact C-N 3.3Å; Q469-A471 PolarHBondContact O-N 3.19Å
470G96.5Very high96.4Very high32 Ų3265.5 Ų65.533%0.3336%0.355SS..THydrogen-bonded Turntrans75.912-177.900000114.7D134 K136 A137 T468 G472D134-G470 WeakPolarHBondContact O-CA 3.46Å; K136-G470 PolarHBondContact O-N 3.03Å; A137-G470 CarbonylContact O-C 3.58Å; A137-G470 VanDerWaalsContact O-CA 3.24Å; A137-G470 WeakPolarHBondContact O-CA 3.33Å; A137-G470 PolarHBondContact O-N 3.16Å; T468-G470 PolarHBondContact O-N 3.26Å; G470-G472 VanDerWaalsContact C-N 3.34Å
471A96.8Very high96.4Very high35 Ų3565 Ų6529%0.28935%0.353SS..  trans-74.8-26.1173.800000112.9A137 T468 Q469A137-A471 PolarHBondContact O-N 3.02Å; A137-A471 VanDerWaalsContact O-N 3.15Å; T468-A471 HydrophobicContact CG2-CB 4.5Å; T468-A471 WeakPolarHBondContact O-CB 3.38Å; T468-A471 PolarHBondContact O-N 3.24Å; Q469-A471 VanDerWaalsContact C-N 3.3Å; Q469-A471 PolarHBondContact O-N 3.19Å
472G97.3Very high96.4Very high5 Ų566.4 Ų66.45%0.05237%0.366CS..  trans-68.5141.3175.700000112A137 C139 G470A137-G472 PolarHBondContact O-N 3.39Å; C139-G472 VanDerWaalsContact C-CA 3.42Å; C139-G472 WeakPolarHBondContact O-CA 3.43Å; G470-G472 VanDerWaalsContact C-N 3.34Å
473R97.8Very high96.7Very high124 Ų12463.9 Ų63.947%0.46835%0.346SS..  trans-109.8144.7-179.7-56.4168.1-62.1167.39.2110.2D140 Y141 D412 V475D140-R473 WeakPolarHBondContact CA-O 3.24Å; D140-R473 WeakPolarHBondContact OD1-CB 3.33Å; D140-R473 PolarHBondContact OD1-N 3.11Å; D140-R473 IonicContact OD1-NE 3.81Å; D140-R473 PolarHBondContact OD1-NE 3.11Å; D140-R473 IonicContact OD1-NH2 2.86Å; D140-R473 IonicContact OD2-CZ 3.84Å; D140-R473 IonicContact OD2-NE 2.82Å; D140-R473 IonicContact OD2-NH2 3.53Å; D140-R473 PolarHBondContact OD2-NH2 2.87Å; Y141-R473 PolarHBondContact N-O 3.01Å; D412-R473 IonicContact OD2-NH2 3.56Å; R473-V475 PolarHBondContact O-N 3.37Å
474F98.4Very high96.9Very high27 Ų2760.8 Ų60.812%0.11831%0.313CS..BIsolated β-bridgetrans-63.7127.8165.1179.7-106.9000109.9Y126 Y141 M143 K165 P476Y126-F474 HydrophobicContact CE2-CZ 4.43Å; Y141-F474 HydrophobicContact CD2-CD2 4.24Å; Y141-F474 HydrophobicContact CE1-CB 4.16Å; Y141-F474 HydrophobicContact CE2-CB 4.32Å; Y141-F474 AromaticContact CE2-CD2 3.78Å; Y141-F474 HydrophobicContact CE2-CD2 3.78Å; Y141-F474 CarbonylContact O-C 3.56Å; Y141-F474 WeakPolarHBondContact O-CA 3.27Å; M143-F474 HydrophobicContact CG-CE2 4.3Å; K165-F474 WeakPolarHBondContact O-CE1 3.37Å; K165-F474 WeakPolarHBondContact O-CZ 3.42Å; F474-P476 HydrophobicContact CD1-CG 4.09Å; F474-P476 HydrophobicContact CE1-CB 4.22Å; F474-P476 HydrophobicContact CE1-CG 4.02Å; F474-P476 WeakPolarHBondContact O-CD 3.22Å
475V98.1Very high97Very high24 Ų2456.1 Ų56.115%0.14529%0.291CS..  trans-104.6107.3175.7-171.70000108.5D140 Y141 S142 L400 R473 A477D140-V475 HydrophobicContact CB-CG2 3.77Å; Y141-V475 PolarHBondContact O-N 3.21Å; S142-V475 WeakPolarHBondContact CB-O 3.43Å; S142-V475 PolarHBondContact OG-O 2.77Å; L400-V475 HydrophobicContact CD2-CG1 3.81Å; R473-V475 PolarHBondContact O-N 3.37Å; V475-A477 PolarHBondContact O-N 3.19Å
476P97.8Very high96.8Very high74 Ų7461.3 Ų61.348%0.48132%0.315SS..  trans-61.8124.1176.6-22.134000110.9F474F474-P476 HydrophobicContact CD1-CG 4.09Å; F474-P476 HydrophobicContact CE1-CB 4.22Å; F474-P476 HydrophobicContact CE1-CG 4.02Å; F474-P476 WeakPolarHBondContact O-CD 3.22Å
477A97Very high96.7Very high1 Ų160.3 Ų60.31%0.00831%0.311CS..  trans-94.3107.8176.300000108.7G166 N168 L400 V475G166-A477 CarbonylContact C-O 3.55Å; G166-A477 PolarHBondContact O-N 2.99Å; N168-A477 HydrophobicContact CB-CB 4.25Å; N168-A477 WeakPolarHBondContact CB-O 3.21Å; N168-A477 VanDerWaalsContact CG-CB 3.42Å; N168-A477 WeakPolarHBondContact ND2-CB 3.19Å; N168-A477 WeakPolarHBondContact OD1-CB 3.31Å; L400-A477 HydrophobicContact CD2-CB 4.11Å; V475-A477 PolarHBondContact O-N 3.19Å
478L96.9Very high96.5Very high111 Ų11160.1 Ų60.158%0.58131%0.31SS*.  trans-72.6147.3-177.3-63.9178.1000111.3N168 N399N168-L478 PolarHBondContact ND2-O 2.82Å; N399-L478 WeakPolarHBondContact CB-O 3.37Å; N399-L478 PolarHBondContact ND2-O 3.4Å
479P97.9Very high96.2Very high38 Ų3862.8 Ų62.825%0.24731%0.313CS..SBendtrans-67.7170.3175.828.6-34.7000112.7V162 L197 G198 N399V162-P479 HydrophobicContact CG1-CB 3.66Å; V162-P479 HydrophobicContact CG1-CG 3.89Å; L197-P479 VanDerWaalsContact O-CB 3.23Å; L197-P479 WeakPolarHBondContact O-CB 3.33Å; G198-P479 WeakPolarHBondContact O-CA 3.48Å; N399-P479 PolarHBondContact ND2-O 3.41Å
480F97.6Very high96Very high102 Ų10265.3 Ų65.345%0.44732%0.318SS..SBendtrans55.751177.9-59.8-80.1000113.2G198 P482 F485G198-F480 VanDerWaalsContact CA-CE1 3.46Å; G198-F480 PolarHBondContact O-N 2.77Å; F480-P482 WeakPolarHBondContact O-CD 3.31Å; F480-P482 VanDerWaalsContact O-N 3.09Å; F480-F485 HydrophobicContact CD1-CB 4.44Å; F480-F485 HydrophobicContact CD1-CD1 4.12Å; F480-F485 HydrophobicContact CD1-CG 4.23Å
481S97.7Very high95.8Very high2 Ų266.2 Ų66.21%0.01432%0.315CS..  trans-45.6121170.51680000109.8K396 V397 Y483 I484 F485K396-S481 PolarHBondContact O-OG 3.05Å; V397-S481 WeakPolarHBondContact O-CB 3.48Å; S481-Y483 PolarHBondContact O-N 2.98Å; S481-Y483 PolarHBondContact OG-N 3.26Å; S481-I484 PolarHBondContact O-N 3.4Å; S481-F485 WeakPolarHBondContact O-CB 3.26Å; S481-F485 PolarHBondContact O-N 3.11Å
482P97Very high95.5Very high74 Ų7466.9 Ų66.948%0.48132%0.321SS..Hα-helixtrans-57.8-34.4178.4-25.934.7000111.9F480 I484 E486F480-P482 WeakPolarHBondContact O-CD 3.31Å; F480-P482 VanDerWaalsContact O-N 3.09Å; P482-I484 PolarHBondContact O-N 2.88Å; P482-E486 WeakPolarHBondContact O-CB 3.46Å; P482-E486 PolarHBondContact O-N 2.92Å; P482-E486 VanDerWaalsContact O-N 3.16Å
483Y96.6Very high95.2Very high91 Ų9171.5 Ų71.536%0.35734%0.344SS..Hα-helixtrans-58.4-37.3178.2-170.9-109.5000112.8E333 K396 V397 S481E333-Y483 PolarHBondContact OE2-OH 3.18Å; K396-Y483 HydrophobicContact CB-CD1 3.98Å; K396-Y483 HydrophobicContact CB-CD2 3.97Å; K396-Y483 HydrophobicContact CB-CG 3.68Å; K396-Y483 HydrophobicContact CD-CD2 4.01Å; K396-Y483 HydrophobicContact CD-CE2 4.1Å; K396-Y483 HydrophobicContact CG-CD2 4.42Å; V397-Y483 HydrophobicContact CG2-CD1 3.91Å; V397-Y483 HydrophobicContact CG2-CE1 3.94Å; S481-Y483 PolarHBondContact O-N 2.98Å; S481-Y483 PolarHBondContact OG-N 3.26Å
484I95.8Very high94.9Very high4 Ų471.8 Ų71.82%0.02135%0.352CS..Hα-helixtrans-94.5-46.1-176.4-62.3-60.4000111.8V200 P255 V279 V281 V397 S481 P482V200-I484 HydrophobicContact CG2-CG1 4.37Å; P255-I484 HydrophobicContact CB-CG2 3.29Å; P255-I484 HydrophobicContact CG-CG2 3.52Å; V279-I484 HydrophobicContact CG1-CG2 4.47Å; V281-I484 HydrophobicContact CG2-CD1 3.71Å; V397-I484 HydrophobicContact CB-CD1 4.45Å; V397-I484 HydrophobicContact CG1-CD1 4.21Å; V397-I484 HydrophobicContact CG1-CG1 4.36Å; V397-I484 HydrophobicContact CG2-CD1 4.15Å; S481-I484 PolarHBondContact O-N 3.4Å; P482-I484 PolarHBondContact O-N 2.88Å
485F96.8Very high94.5Very high9 Ų975.6 Ų75.64%0.03937%0.365CS..Hα-helixtrans-97.4-12.8-165.1-75.4-89.7000114.8G198 A199 P255 F480 S481 R487 T488G198-F485 VanDerWaalsContact C-CZ 3.4Å; G198-F485 WeakPolarHBondContact O-CE2 3.28Å; A199-F485 WeakPolarHBondContact O-CZ 3.46Å; P255-F485 HydrophobicContact CG-CD1 4.34Å; P255-F485 HydrophobicContact CG-CE1 4Å; P255-F485 HydrophobicContact CG-CZ 4.12Å; F480-F485 HydrophobicContact CD1-CB 4.44Å; F480-F485 HydrophobicContact CD1-CD1 4.12Å; F480-F485 HydrophobicContact CD1-CG 4.23Å; S481-F485 WeakPolarHBondContact O-CB 3.26Å; S481-F485 PolarHBondContact O-N 3.11Å; F485-R487 VanDerWaalsContact C-N 3.26Å; F485-R487 PolarHBondContact O-N 2.77Å; F485-T488 HydrophobicContact CD1-CG2 4.26Å; F485-T488 PolarHBondContact O-N 2.8Å; F485-T488 VanDerWaalsContact O-N 3.11Å; F485-T488 PolarHBondContact O-OG1 3.2Å
486E94.1Very high94.2Very high136 Ų13677.3 Ų77.364%0.63638%0.379SS*.Hα-helixtrans-60.6-38-175.7-166.262-150.100112.2P482P482-E486 WeakPolarHBondContact O-CB 3.46Å; P482-E486 PolarHBondContact O-N 2.92Å; P482-E486 VanDerWaalsContact O-N 3.16Å
487R93Very high93.8Very high143 Ų14381.7 Ų81.754%0.5440%0.396SS..Hα-helixtrans-80.2-22.3179.1-63.6-176.7-66.6170.90.5113.5F485 K489 R490 L491F485-R487 VanDerWaalsContact C-N 3.26Å; F485-R487 PolarHBondContact O-N 2.77Å; R487-K489 PolarHBondContact O-N 2.68Å; R487-R490 PolarHBondContact O-N 3.39Å; R487-L491 HydrophobicContact CB-CD1 4.37Å; R487-L491 WeakPolarHBondContact O-CG 3.23Å; R487-L491 PolarHBondContact O-N 2.88Å
488T91.9Very high93.6Very high22 Ų2289.8 Ų89.814%0.13543%0.431CS..Hα-helixtrans-67.4-37.4-169.764.10000112.3P255 V279 F485 R490 L491 A492P255-T488 HydrophobicContact CG-CG2 3.53Å; V279-T488 HydrophobicContact CG2-CG2 4.36Å; F485-T488 HydrophobicContact CD1-CG2 4.26Å; F485-T488 PolarHBondContact O-N 2.8Å; F485-T488 VanDerWaalsContact O-N 3.11Å; F485-T488 PolarHBondContact O-OG1 3.2Å; T488-R490 PolarHBondContact O-N 3.14Å; T488-L491 PolarHBondContact O-N 3.32Å; T488-A492 WeakPolarHBondContact O-CB 3.31Å; T488-A492 PolarHBondContact O-N 2.95Å
489K88.4Confident93.4Very high156 Ų15689.3 Ų89.368%0.67844%0.435SS*.Hα-helixtrans-58.8-46.3176.2-68.6179.1-177.9170.20111.6R487 L493R487-K489 PolarHBondContact O-N 2.68Å; K489-L493 PolarHBondContact O-N 3.17Å
490R92.4Very high93.3Very high161 Ų16192.1 Ų92.161%0.60845%0.451SS*.Hα-helixtrans-70.7-40.5179.3-171.463.4178.2-170.31.4111.6R487 T488 L493 M494R487-R490 PolarHBondContact O-N 3.39Å; T488-R490 PolarHBondContact O-N 3.14Å; R490-L493 PolarHBondContact O-N 3.24Å; R490-M494 HydrophobicContact CG-CG 4.46Å; R490-M494 WeakPolarHBondContact O-CG 3.46Å; R490-M494 PolarHBondContact O-N 3.18Å
491L91.7Very high93.1Very high51 Ų5194.4 Ų94.427%0.26747%0.466SS..Hα-helixtrans-59-46.1175-73.9170.8000111.6V279 R487 T488 L493 M494 R495V279-L491 HydrophobicContact CG2-CD1 3.68Å; R487-L491 HydrophobicContact CB-CD1 4.37Å; R487-L491 WeakPolarHBondContact O-CG 3.23Å; R487-L491 PolarHBondContact O-N 2.88Å; T488-L491 PolarHBondContact O-N 3.32Å; L491-L493 VanDerWaalsContact C-N 3.33Å; L491-L493 PolarHBondContact O-N 2.92Å; L491-M494 PolarHBondContact O-N 3.42Å; L491-R495 WeakPolarHBondContact O-CB 3.32Å; L491-R495 WeakPolarHBondContact O-CG 3.49Å; L491-R495 PolarHBondContact O-N 2.85Å
492A90.8Very high93Very high50 Ų50103.4 Ų103.441%0.41350%0.5SS..Hα-helixtrans-60.1-41.7177.500000112.2T488 R495 S496T488-A492 WeakPolarHBondContact O-CB 3.31Å; T488-A492 PolarHBondContact O-N 2.95Å; A492-R495 PolarHBondContact O-N 2.93Å; A492-S496 PolarHBondContact O-N 2.74Å; A492-S496 VanDerWaalsContact O-N 3.15Å
493L91.7Very high92.8Very high102 Ų102107.6 Ų107.653%0.53452%0.518SS..Hα-helixtrans-63.1-46.8175.4-179.465.5000111.9K489 R490 L491 R495 S496K489-L493 PolarHBondContact O-N 3.17Å; R490-L493 PolarHBondContact O-N 3.24Å; L491-L493 VanDerWaalsContact C-N 3.33Å; L491-L493 PolarHBondContact O-N 2.92Å; L493-R495 VanDerWaalsContact C-N 3.29Å; L493-R495 PolarHBondContact O-N 3.41Å; L493-S496 WeakPolarHBondContact O-CB 3.49Å; L493-S496 PolarHBondContact O-N 3.41Å; L493-S496 PolarHBondContact O-OG 2.72Å
494M91.2Very high92.6Very high130 Ų130108.4 Ų108.464%0.6454%0.537SS*.Hα-helixtrans-68.5-28.4-178.5-68-57.2-59.900113R490 L491R490-M494 HydrophobicContact CG-CG 4.46Å; R490-M494 WeakPolarHBondContact O-CG 3.46Å; R490-M494 PolarHBondContact O-N 3.18Å; L491-M494 PolarHBondContact O-N 3.42Å
495R90Very high92.5Very high107 Ų107116.2 Ų116.240%0.40457%0.567SS.*THydrogen-bonded Turntrans-94.38.4177.9-65.2176.7174.7-175.4-4.8113.4D250 L491 A492 L493 I497D250-R495 IonicContact OD1-CZ 3.12Å; D250-R495 IonicContact OD1-NH1 3.07Å; D250-R495 PolarHBondContact OD1-NH1 3.2Å; D250-R495 IonicContact OD1-NH2 3.21Å; D250-R495 IonicContact OD2-NH1 3.17Å; L491-R495 WeakPolarHBondContact O-CB 3.32Å; L491-R495 WeakPolarHBondContact O-CG 3.49Å; L491-R495 PolarHBondContact O-N 2.85Å; A492-R495 PolarHBondContact O-N 2.93Å; L493-R495 VanDerWaalsContact C-N 3.29Å; L493-R495 PolarHBondContact O-N 3.41Å; R495-I497 PolarHBondContact O-N 3.18Å
496S90.7Very high92.2Very high60 Ų60122.5 Ų122.542%0.4261%0.607SS.*  trans-61.8127.3178.957.50000111.4A492 L493 K498A492-S496 PolarHBondContact O-N 2.74Å; A492-S496 VanDerWaalsContact O-N 3.15Å; L493-S496 WeakPolarHBondContact O-CB 3.49Å; L493-S496 PolarHBondContact O-N 3.41Å; L493-S496 PolarHBondContact O-OG 2.72Å; S496-K498 PolarHBondContact O-N 3.09Å
497I90.3Very high92.1Very high165 Ų165117.5 Ų117.585%0.84659%0.592SS**  trans-71.8126.7176.6-59.9172.7000108.1R495R495-I497 PolarHBondContact O-N 3.18Å
498K92.9Very high91.8Very high171 Ų171116.2 Ų116.274%0.74360%0.602SS**  trans-104.6127.3174.8-64.6-179.6-176.91770109.1S496S496-K498 PolarHBondContact O-N 3.09Å
499P93.4Very high91.4Very high102 Ų102122 Ų12266%0.66263%0.63SS**  trans-65140.9174.728.6-33.7000109.5I501P499-I501 HydrophobicContact CB-CD1 4.45Å; P499-I501 HydrophobicContact CG-CD1 4.1Å; P499-I501 PolarHBondContact O-N 2.63Å
500V95.4Very high91.1Very high97 Ų97117 Ų11759%0.58862%0.615SS**  trans-77.6111.8164-179.90000106.8R502V500-R502 HydrophobicContact CG1-CG 4.04Å; V500-R502 PolarHBondContact O-N 3.04Å
501I93.5Very high90.5Very high150 Ų150114.8 Ų114.877%0.76962%0.619SS**  trans-69.8122.6176.3-52-56.1000108.3P499P499-I501 HydrophobicContact CB-CD1 4.45Å; P499-I501 HydrophobicContact CG-CD1 4.1Å; P499-I501 PolarHBondContact O-N 2.63Å
502R94.3Very high89.9Confident191 Ų191120.3 Ų120.372%0.72164%0.644SS**  trans-132152178.1-59.9-172.1-176.187.6-3.2109.3V500V500-R502 HydrophobicContact CG1-CG 4.04Å; V500-R502 PolarHBondContact O-N 3.04Å
503D93.4Very high89.2Confident162 Ų162126.1 Ų126.187%0.86666%0.66SS**PPolyproline II helixtrans-60.1149.2163.9-61.6-36.5000109.8
504S92.4Very high88Confident107 Ų107125.7 Ų125.775%0.74866%0.662SS**PPolyproline II helixtrans-61.7139174.9-59.10000110.4T506S504-T506 PolarHBondContact O-N 3.42Å
505Y93.5Very high87Confident168 Ų168121.8 Ų121.866%0.65966%0.655SS**PPolyproline II helixtrans-63.5119.8174.6175.1-105.5000110.3G507 P508 I509Y505-G507 VanDerWaalsContact CE1-C 3.47Å; Y505-G507 WeakPolarHBondContact CE1-O 3.39Å; Y505-G507 VanDerWaalsContact CZ-CA 3.44Å; Y505-G507 WeakPolarHBondContact OH-CA 3.33Å; Y505-P508 PolarHBondContact OH-O 3.19Å; Y505-I509 HydrophobicContact CE1-CG1 4.21Å
506T91.6Very high85.9Confident142 Ų142123.2 Ų123.287%0.87168%0.678SS**  trans-105.7-2-179.353.80000113.8S504S504-T506 PolarHBondContact O-N 3.42Å
507G91Very high84.4Confident30 Ų30127.1 Ų127.131%0.30969%0.692SS.*SBendtrans-73.8166.6178.100000113Y505Y505-G507 VanDerWaalsContact CE1-C 3.47Å; Y505-G507 WeakPolarHBondContact CE1-O 3.39Å; Y505-G507 VanDerWaalsContact CZ-CA 3.44Å; Y505-G507 WeakPolarHBondContact OH-CA 3.33Å
508P86.4Confident83Confident116 Ų116128.8 Ų128.875%0.75369%0.693SS**  trans-66.1147.7175.528.8-34.2000111.2Y505Y505-P508 PolarHBondContact OH-O 3.19Å
509I84.8Confident81Confident144 Ų144128.3 Ų128.374%0.73870%0.698SS**  trans-97.5115.5166.7-59.8174.7000106.6Y505 T511Y505-I509 HydrophobicContact CE1-CG1 4.21Å; I509-T511 PolarHBondContact O-N 3.22Å
510S81.3Confident79.1Confident51 Ų51126.4 Ų126.436%0.35769%0.692SS.*  trans-72127.1179.7177.20000110.9E512S510-E512 VanDerWaalsContact C-N 3.29Å; S510-E512 WeakPolarHBondContact OG-CB 3.22Å; S510-E512 PolarHBondContact OG-N 3.22Å; S510-E512 VanDerWaalsContact OG-N 3.07Å
511T79.8Confident76.9Confident114 Ų114128.6 Ų128.670%0.69970%0.698SS**SBendtrans-83.5-4.7169.353.10000112.6I509 F513 T514I509-T511 PolarHBondContact O-N 3.22Å; T511-F513 PolarHBondContact O-N 3.43Å; T511-T514 WeakPolarHBondContact CA-OG1 3.37Å; T511-T514 PolarHBondContact O-N 2.97Å; T511-T514 PolarHBondContact O-OG1 2.93Å
512E78.9Confident74.8Confident168 Ų168126.8 Ų126.879%0.78569%0.689SS**SBendtrans-69.9-21.6-179.1-62.9-175.8159.600112.5S510S510-E512 VanDerWaalsContact C-N 3.29Å; S510-E512 WeakPolarHBondContact OG-CB 3.22Å; S510-E512 PolarHBondContact OG-N 3.22Å; S510-E512 VanDerWaalsContact OG-N 3.07Å
513F76.4Confident72.3Confident172 Ų172124.8 Ų124.875%0.75469%0.693SS**SBendtrans-108.2-2.9-178.3-51.4-70.6000113.5T511 G515T511-F513 PolarHBondContact O-N 3.43Å; F513-G515 PolarHBondContact O-N 3.26Å
514T66.2Low70Confident92 Ų92123.3 Ų123.356%0.56469%0.685SS**  trans-78.494.6176.946.60000109.3T511T511-T514 WeakPolarHBondContact CA-OG1 3.37Å; T511-T514 PolarHBondContact O-N 2.97Å; T511-T514 PolarHBondContact O-OG1 2.93Å
515G70.9Confident67.6Low49 Ų49122.2 Ų122.251%0.50569%0.69SS.*  trans-61.716315900000110.2F513 M517F513-G515 PolarHBondContact O-N 3.26Å; G515-M517 VanDerWaalsContact C-N 3.27Å; G515-M517 PolarHBondContact O-N 3.4Å
516P66Low65Low136 Ų136119.9 Ų119.988%0.88369%0.694SS**  trans-6390.9175.926.1-32.1000109.3K518P516-K518 PolarHBondContact O-N 3.35Å
517M60.6Low62.3Low143 Ų143122.7 Ų122.770%0.70470%0.697SS**  trans-64.4114.3162.5-80.7-169.7-169.300105.5G515 D519 I522G515-M517 VanDerWaalsContact C-N 3.27Å; G515-M517 PolarHBondContact O-N 3.4Å; M517-D519 PolarHBondContact O-N 2.98Å; M517-D519 VanDerWaalsContact O-N 3.09Å; M517-I522 HydrophobicContact SD-CD1 4.46Å
518K60.1Low59.9Low199 Ų199130.6 Ų130.687%0.86572%0.723SS**  trans-51.5120160.7-78.2-178.1174.8-179.80106.2P516 A520P516-K518 PolarHBondContact O-N 3.35Å; K518-A520 PolarHBondContact O-N 2.88Å
519D52.2Low57.6Low161 Ų161129.7 Ų129.786%0.86173%0.725SS**  trans-20.779.1178.1-63.3-47.2000113M517 I521M517-D519 PolarHBondContact O-N 2.98Å; M517-D519 VanDerWaalsContact O-N 3.09Å; D519-I521 PolarHBondContact O-N 3.41Å
520A52.2Low55.1Low63 Ų63128.3 Ų128.352%0.52173%0.728SS.*  trans-86.7104.5167.400000101.4K518 I522K518-A520 PolarHBondContact O-N 2.88Å; A520-I522 HydrophobicContact CB-CG1 4.36Å; A520-I522 PolarHBondContact O-N 3.13Å
521I49.1Very low53.1Low143 Ų143132.9 Ų132.973%0.73375%0.753SS**  trans-60.789.4169-61.6171.5000105.7D519 N523D519-I521 PolarHBondContact O-N 3.41Å; I521-N523 PolarHBondContact O-N 3.05Å
522I50.2Low50.9Low111 Ų111130.7 Ų130.757%0.56975%0.753SS**  trans-7985.2169.8-58.1174.4000104.7M517 A520 N524M517-I522 HydrophobicContact SD-CD1 4.46Å; A520-I522 HydrophobicContact CB-CG1 4.36Å; A520-I522 PolarHBondContact O-N 3.13Å; I522-N524 WeakPolarHBondContact CG2-OD1 3.32Å; I522-N524 PolarHBondContact O-N 3.04Å
523N42.1Very low49Very low150 Ų150127.9 Ų127.980%0.80275%0.752SS**  trans-7084.8167.5-95.4-16.1000108.2I521 G525I521-N523 PolarHBondContact O-N 3.05Å; N523-G525 PolarHBondContact O-N 3.11Å
524N45.2Very low47.1Very low131 Ų131127.3 Ų127.370%0.70176%0.757SS**  trans-71.770167.2-86.3-11.6000109.8I522 T526I522-N524 WeakPolarHBondContact CG2-OD1 3.32Å; I522-N524 PolarHBondContact O-N 3.04Å; N524-T526 PolarHBondContact O-N 2.79Å; N524-T526 PolarHBondContact O-OG1 3.47Å
525G40.4Very low45.8Very low83 Ų83127.1 Ų127.186%0.85677%0.765SS**SBendtrans50.52149.900000121.7N523N523-G525 PolarHBondContact O-N 3.11Å
526T39.8Very low44.2Very low120 Ų120134.3 Ų134.374%0.73679%0.785SS**  trans-103.1109.317647.10000109.3N524 K528N524-T526 PolarHBondContact O-N 2.79Å; N524-T526 PolarHBondContact O-OG1 3.47Å; T526-K528 PolarHBondContact O-N 3.42Å
527E35.5Very low42.8Very low200 Ų200131 Ų13194%0.93578%0.776SS**  trans-44.6121.2161.2-68.7178.6150.300109.6
528K39.7Very low41.7Very low197 Ų197131.7 Ų131.786%0.85778%0.782SS**  trans-123.1121.3158.9-89.4-169.4176.6-179.10109.5T526T526-K528 PolarHBondContact O-N 3.42Å
529A37.7Very low40.6Very low97 Ų97133.4 Ų133.480%0.80278%0.783SS**  trans-54.6150.6173.900000112.8
530S32.7Very low40Very low115 Ų115131.6 Ų131.680%0.80478%0.78SS**  trans-62.3129.917752.30000114.7
531V38.8Very low39.3Very low146 Ų146140.7 Ų140.789%0.88580%0.801SS**  trans-163.5120.7147.1-130.10000104.2
532G35.3Very low38.9Very low68 Ų68139.2 Ų139.270%0.70180%0.803SS**  cis102.995.54100000108.5
533S37.3Very low38.7Very low109 Ų109139.8 Ų139.876%0.76281%0.814SS**  trans153.9107.7145.7660000112.9
534D37.4Very low38.7Very low161 Ų161139.6 Ų139.686%0.86182%0.819SS**  39.1131.8126.3-53.2-27000122.2
535A37.9Very low38.7Very low88 Ų88145.2 Ų145.273%0.72783%0.83SS**  134.911012100000115.3
536E37.4Very low39.1Very low199 Ų199147.1 Ų147.193%0.9383%0.83SS**  trans61.9132.7137.6-57-158.4157.800122.6
537G38Very low39.3Very low66 Ų66145.2 Ų145.268%0.6883%0.834SS**  trans138.590138.100000119.3
538L37Very low39.7Very low158 Ų158139.6 Ų139.683%0.82783%0.83SS**  trans69.3101.4132.1-67.1149.8000122.4
539R37.4Very low39.8Very low236 Ų236142 Ų14289%0.89183%0.834SS**  59.8145.5123.6-64.5-168.4-172.8-134.83.1123
540P39.1Very low40.5Very low123 Ų123142.4 Ų142.480%0.79982%0.822SS**  trans-95.4159.7-16739.1-34.3000114.9
541R37.1Very low41.6Very low254 Ų254145.6 Ų145.696%0.95883%0.827SS**  trans-126.8139.8164.7-89.3-175.5176.6170.7-0.1111
542S41Very low42.3Very low112 Ų112146.9 Ų146.978%0.78382%0.823SS**  trans-115.1179.8167.2-41.50000108.9
543P45.2Very low43.1Very low123 Ų123151.3 Ų151.380%0.79983%0.825SS**  -121.4170.3-77.536.4-20.6000112.1
544T43.2Very low43.5Very low146 Ų146151.1 Ų151.190%0.89682%0.824SS**  trans-133.5127164.840.90000113.5
545R44.9Very low43.9Very low249 Ų249148.6 Ų148.694%0.9482%0.819SS**  trans-47.1132.6165.5-115169.3160-172.8-4.8112.8
546S49.1Very low44.2Very low123 Ų123153.1 Ų153.186%0.8682%0.823SS**  trans171.7144.8131.350.70000111.9
547G44.1Very low44.7Very low79 Ų79147.8 Ų147.881%0.81481%0.807SS**  trans92.883.5153.700000116.8
548G43.2Very low45.1Very low83 Ų83152.3 Ų152.386%0.85682%0.815SS**  trans-69.2141160.700000111.4
549R42.6Very low45.8Very low247 Ų247149.7 Ų149.793%0.93281%0.81SS**  trans-126125.1155.2-96.1-175.4179.2172.20.2108.7
550N52.3Low46.3Very low106 Ų106141.5 Ų141.557%0.56780%0.799SS**  trans-69.4126.6176.6-170.6-4.2000109.2Q552N550-Q552 PolarHBondContact O-N 3.19Å; N550-Q552 PolarHBondContact OD1-N 2.93Å
551M55Low47.5Very low181 Ų181140.2 Ų140.289%0.89280%0.799SS**THydrogen-bonded Turntrans-81.36-178.2-86.3-174.9-74.200113.9
552Q54.6Low48.7Very low173 Ų173134.6 Ų134.681%0.80878%0.783SS**THydrogen-bonded Turntrans-95.96.7-175-69.5169.4-16.800115N550N550-Q552 PolarHBondContact O-N 3.19Å; N550-Q552 PolarHBondContact OD1-N 2.93Å
553E51.1Low49.9Very low161 Ų161139.5 Ų139.575%0.75279%0.786SS**  trans-11220.9-176.4-69.3-172.9169.500115.3S555E553-S555 PolarHBondContact O-N 3.02Å
554S46.2Very low51.3Low105 Ų105136.9 Ų136.973%0.73477%0.766SS**  trans-7785.6174.9168.30000111.7F556S554-F556 PolarHBondContact O-N 3.33Å
555S45.1Very low52.7Low108 Ų108135.2 Ų135.276%0.75575%0.751SS**  trans-80106.5163.853.60000110E553 S557E553-S555 PolarHBondContact O-N 3.02Å; S555-S557 PolarHBondContact O-N 3.4Å; S555-S557 VanDerWaalsContact O-N 3.07Å
556F45Very low54Low184 Ų184128.6 Ų128.681%0.80774%0.743SS**  trans-76.991.9168.3-135-92.3000108S554 L558S554-F556 PolarHBondContact O-N 3.33Å; F556-L558 HydrophobicContact CD1-CG 4.43Å
557S46.9Very low54.9Low86 Ų86131.6 Ų131.660%0.60174%0.735SS**  trans-94.6105.1169.5153.30000108.8S555 S559S555-S557 PolarHBondContact O-N 3.4Å; S555-S557 VanDerWaalsContact O-N 3.07Å; S557-S559 PolarHBondContact O-N 3.23Å; S557-S559 PolarHBondContact OG-OG 3.02Å
558L47.2Very low55.7Low162 Ų162133.8 Ų133.885%0.84874%0.735SS**  trans-76.892.7163.2-77162000108.3F556F556-L558 HydrophobicContact CD1-CG 4.43Å
559S52.4Low56.5Low103 Ų103137.6 Ų137.672%0.7273%0.734SS**  trans-130.985.2165.745.30000108.7S557S557-S559 PolarHBondContact O-N 3.23Å; S557-S559 PolarHBondContact OG-OG 3.02Å
560G47.8Very low57Low63 Ų63136.9 Ų136.965%0.64973%0.731SS**  trans-119.4116.3164.900000107.3Q562G560-Q562 PolarHBondContact O-N 3.3Å
561A62.9Low56.9Low97 Ų97138.5 Ų138.580%0.80275%0.745SS**  trans-56.6123.5174.600000109.4D565A561-D565 WeakPolarHBondContact CA-OD2 3.41Å
562Q62.8Low56.7Low135 Ų135133.4 Ų133.463%0.63174%0.739SS**  trans-85.9149.3175.2-72.7-171.1-35.900109.8G560 D564 D565G560-Q562 PolarHBondContact O-N 3.3Å; Q562-D564 PolarHBondContact O-N 3.44Å; Q562-D565 PolarHBondContact N-OD2 3Å; Q562-D565 WeakPolarHBondContact O-CB 3.3Å; Q562-D565 PolarHBondContact O-N 3.17Å
563Y66.6Low56.8Low216 Ų216132.3 Ų132.385%0.84774%0.737SS**THydrogen-bonded Turntrans-61.4-10-173.280.1-81000114.4
564D73.8Confident56.6Low68 Ų68135.3 Ų135.336%0.36474%0.742SS.*THydrogen-bonded Turntrans-110.74.4178.366.9-19.8000114.6Q562 S566 R567Q562-D564 PolarHBondContact O-N 3.44Å; D564-S566 PolarHBondContact O-N 3.11Å; D564-R567 PolarHBondContact O-N 3.05Å
565D72.2Confident56.6Low111 Ų111136.3 Ų136.359%0.59474%0.743SS**THydrogen-bonded Turntrans-57.6-16.2177.6-78.4-20.3000113.6A561 Q562A561-D565 WeakPolarHBondContact CA-OD2 3.41Å; Q562-D565 PolarHBondContact N-OD2 3Å; Q562-D565 WeakPolarHBondContact O-CB 3.3Å; Q562-D565 PolarHBondContact O-N 3.17Å
566S73.7Confident56.9Low109 Ų109139.4 Ų139.476%0.76274%0.743SS**THydrogen-bonded Turntrans-90.6-0.2177.759.20000114.9D564D564-S566 PolarHBondContact O-N 3.11Å
567R67.8Low57.7Low187 Ų187138.8 Ų138.871%0.70674%0.743SS**SBendtrans-94.3123.9-179-69.8-174.6175.7-173.40.3111.3D564 I569D564-R567 PolarHBondContact O-N 3.05Å; R567-I569 PolarHBondContact O-N 3.19Å
568P60.8Low58Low125 Ų125140.2 Ų140.281%0.81275%0.75SS**  trans-63.5113.1175.523.8-30000109.8R570P568-R570 PolarHBondContact O-N 3.09Å; P568-R570 VanDerWaalsContact O-N 3.16Å
569I59.4Low58.2Low162 Ų162139.3 Ų139.383%0.83175%0.754SS**  trans-66112.9176-60.6173.6000107.6R567 T571R567-I569 PolarHBondContact O-N 3.19Å; I569-T571 PolarHBondContact O-N 3.05Å
570R53Low57.9Low233 Ų233137.8 Ų137.888%0.87976%0.755SS**  trans-59.6129.7168.8-88.4-174.7176.1-176.5-0.7108.8P568 G572P568-R570 PolarHBondContact O-N 3.09Å; P568-R570 VanDerWaalsContact O-N 3.16Å; R570-G572 PolarHBondContact O-N 3.37Å
571T51.6Low57.6Low140 Ų140138.4 Ų138.486%0.85976%0.761SS**  trans-55.8109.516934.30000109.6I569 I573I569-T571 PolarHBondContact O-N 3.05Å; T571-I573 PolarHBondContact O-N 3.48Å
572G50.1Low56.7Low73 Ų73138.5 Ų138.575%0.75376%0.762SS**  trans-60.1126.2-179.500000111.4R570 R574R570-G572 PolarHBondContact O-N 3.37Å; G572-R574 PolarHBondContact O-N 3.38Å
573I56.7Low56.3Low151 Ų151137.6 Ų137.677%0.77477%0.77SS**  trans-59.8128.8175.4-67.1165.1000108.8T571 T575T571-I573 PolarHBondContact O-N 3.48Å; I573-T575 PolarHBondContact O-N 3.36Å
574R47.1Very low55.7Low224 Ų224134.8 Ų134.885%0.84577%0.77SS**  trans-7192.5172.7-152.2178.4-169.5-175.73.8108.1G572 K576G572-R574 PolarHBondContact O-N 3.38Å; R574-K576 PolarHBondContact O-N 3.39Å
575T45.3Very low54.1Low126 Ų126136 Ų13677%0.77379%0.789SS**  trans-69.497.6171.8160000109.2I573I573-T575 PolarHBondContact O-N 3.36Å
576K52.5Low52.9Low172 Ų172138 Ų13875%0.74880%0.799SS**  trans-83.2123.7155.9-74.7-177.1174.2-176.80106.3R574R574-K576 PolarHBondContact O-N 3.39Å
577Q60.6Low51.6Low172 Ų172147.8 Ų147.880%0.80482%0.82SS**SBendtrans92.1103.2-177.7-56.8-177.9-1300114.8
578P54.3Low50.8Low116 Ų116145.9 Ų145.975%0.75383%0.825SS**  trans-66.8143160.928.3-30.8000109.6G580P578-G580 PolarHBondContact O-N 2.77Å; P578-G580 VanDerWaalsContact O-N 3.09Å
579P50.4Low50.2Low142 Ų142146.9 Ų146.992%0.92283%0.826SS**SBendtrans-72.5103170.925.5-23.5000108.5
580G47.8Very low49.7Very low72 Ų72146.1 Ų146.174%0.74283%0.826SS**SBendtrans172.983.6-179.900000112.6P578P578-G580 PolarHBondContact O-N 2.77Å; P578-G580 VanDerWaalsContact O-N 3.09Å
581G39.6Very low49.5Very low75 Ų75141 Ų14177%0.77382%0.823SS**  trans82.185.7152.600000117.1
582A45.6Very low49.4Very low100 Ų100141.1 Ų141.183%0.82682%0.821SS**  trans-77.7116.1144.600000107.9
583S52.8Low49.3Very low116 Ų116145.6 Ų145.681%0.81183%0.825SS**  trans-106107.1163.248.30000108
584N54.4Low48.8Very low156 Ų156145.2 Ų145.283%0.83483%0.829SS**  trans-65.4147.9172.6-74.8-38.1000110.9
585A40Very low49Very low93 Ų93139.2 Ų139.277%0.76983%0.827SS**  trans-51.9143.9171.400000113.3
586L46.6Very low49.3Very low155 Ų155140.3 Ų140.381%0.81283%0.832SS**  trans-159.5107.7149.4-97.2162.5000107
587W46.8Very low49Very low314 Ų314137.4 Ų137.4100%1.18984%0.84SS**  trans63.90163.2-65.191.6000120.8

Retrieved 587 of 587 residues in 1937.7 ms (Link to these results)

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