A0A096LTF4_POEFO Loading...

Family with sequence similarity 113

AlphaFold DB , UniProt , Accession A0A096LTF4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 393 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
1M36.9Very low78.6Confident228 Ų22885.4 Ų85.4100%1.12340%0.404SS*.  0122.20-147.2177.7-78.800106.4E3M1-E3 PolarHBondContact O-N 2.89Å; M1-E3 VanDerWaalsContact O-N 3.09Å
2K41.6Very low80.1Confident184 Ų18484.7 Ų84.780%0.840%0.404SS*.  trans-54.6118.8-175.8-83.5178.4175175.70109.2T4K2-T4 PolarHBondContact O-N 3.08Å
3E60.9Low81.4Confident141 Ų14179.5 Ų79.566%0.65938%0.38SS*.  trans-74.8-6.1-172.9-79.1-173.9149.600113.9M1M1-E3 PolarHBondContact O-N 2.89Å; M1-E3 VanDerWaalsContact O-N 3.09Å
4T72.4Confident82.6Confident65 Ų6574 Ų7440%0.39935%0.354SS..SBendtrans-121.1129.2-169.255.10000111.4K2K2-T4 PolarHBondContact O-N 3.08Å
5A84.3Confident83.5Confident9 Ų973.8 Ų73.87%0.07435%0.352CS..  trans-70.1140168.200000110.4L37 A241 L244A5-L37 HydrophobicContact CB-CD2 4.35Å; A5-A241 HydrophobicContact CB-CB 4.28Å; A5-L244 HydrophobicContact CB-CB 4.49Å; A5-L244 HydrophobicContact CB-CD1 3.66Å
6T92.6Very high84.4Confident29 Ų2973.1 Ų73.118%0.17835%0.351CS..  trans-86.6164.3175.770.10000111.7Q8 Q9 A10 D41T6-Q8 VanDerWaalsContact C-N 3.33Å; T6-Q8 PolarHBondContact O-N 2.89Å; T6-Q9 WeakPolarHBondContact O-CB 3.46Å; T6-Q9 PolarHBondContact O-N 2.82Å; T6-Q9 WeakPolarHBondContact OG1-CB 3.35Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.21Å; T6-Q9 PolarHBondContact OG1-N 2.84Å; T6-A10 PolarHBondContact O-N 2.76Å; T6-D41 VanDerWaalsContact CA-OD1 3.31Å; T6-D41 WeakPolarHBondContact CA-OD1 3.18Å
7H94.5Very high85.2Confident42 Ų4269.7 Ų69.719%0.19434%0.335CS..Hα-helixtrans-56.5-46.6172.4158.162.2000112.2Q9 A10 R11 L37 V38 Q39 K40 D41H7-Q9 VanDerWaalsContact C-N 3.31Å; H7-Q9 PolarHBondContact O-N 3.15Å; H7-A10 PolarHBondContact O-N 3.36Å; H7-R11 VanDerWaalsContact O-CB 3.25Å; H7-R11 WeakPolarHBondContact O-CB 3.39Å; H7-R11 PolarHBondContact O-N 3.15Å; H7-L37 WeakPolarHBondContact CA-O 3.29Å; H7-L37 HydrophobicContact CB-CD1 4.29Å; H7-L37 WeakPolarHBondContact CB-O 3.27Å; H7-L37 PolarHBondContact ND1-O 3.29Å; H7-V38 VanDerWaalsContact CE1-C 3.46Å; H7-V38 PolarHBondContact CE1-O 3.01Å; H7-V38 PolarHBondContact ND1-O 3.24Å; H7-V38 VanDerWaalsContact ND1-O 3.07Å; H7-Q39 PolarHBondContact CE1-O 3.34Å; H7-Q39 VanDerWaalsContact CE1-O 3.28Å; H7-Q39 PolarHBondContact ND1-N 3.4Å; H7-K40 PolarHBondContact ND1-N 3.46Å; H7-D41 WeakPolarHBondContact CB-OD2 3.49Å; H7-D41 PolarHBondContact N-OD1 2.83Å
8Q94.4Very high86Confident100 Ų10066.1 Ų66.147%0.46732%0.317SS..Hα-helixtrans-60.9-42.6-179.8-179.6166.6-18.800111.5T6 R11 L12T6-Q8 VanDerWaalsContact C-N 3.33Å; T6-Q8 PolarHBondContact O-N 2.89Å; Q8-R11 PolarHBondContact O-N 3Å; Q8-L12 HydrophobicContact CG-CD1 3.82Å; Q8-L12 HydrophobicContact CG-CG 4.4Å; Q8-L12 WeakPolarHBondContact O-CB 3.42Å; Q8-L12 VanDerWaalsContact O-CG 3.3Å; Q8-L12 WeakPolarHBondContact O-CG 3.37Å; Q8-L12 PolarHBondContact O-N 3.02Å
9Q94.1Very high86.7Confident25 Ų2562.6 Ų62.612%0.11730%0.301CS..Hα-helixtrans-60.5-48.8174.7-78.2175.8-21.900112.3T6 H7 L13 L255 T256T6-Q9 WeakPolarHBondContact O-CB 3.46Å; T6-Q9 PolarHBondContact O-N 2.82Å; T6-Q9 WeakPolarHBondContact OG1-CB 3.35Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.21Å; T6-Q9 PolarHBondContact OG1-N 2.84Å; H7-Q9 VanDerWaalsContact C-N 3.31Å; H7-Q9 PolarHBondContact O-N 3.15Å; Q9-L13 WeakPolarHBondContact O-CB 3.43Å; Q9-L13 PolarHBondContact O-N 2.99Å; Q9-L255 HydrophobicContact CB-CD2 3.96Å; Q9-L255 HydrophobicContact CG-CD2 4.28Å; Q9-T256 PolarHBondContact NE2-O 2.75Å
10A96.7Very high87.3Confident0 Ų059.5 Ų59.50%029%0.286CS..Hα-helixtrans-63.9-43.1178.900000112.1T6 H7 L14 L37 V38 L244T6-A10 PolarHBondContact O-N 2.76Å; H7-A10 PolarHBondContact O-N 3.36Å; A10-L14 WeakPolarHBondContact O-CB 3.18Å; A10-L14 WeakPolarHBondContact O-CG 3.4Å; A10-L14 PolarHBondContact O-N 3.41Å; A10-L37 HydrophobicContact CB-CD2 4.09Å; A10-L37 HydrophobicContact CB-CG 3.8Å; A10-V38 HydrophobicContact CB-CG2 4.06Å; A10-L244 HydrophobicContact CB-CD1 3.66Å; A10-L244 HydrophobicContact CB-CD2 4.3Å
11R96.4Very high87.8Confident116 Ų11656.7 Ų56.744%0.43827%0.272SS..Hα-helixtrans-65-45.1-180-165.8-177.395.1118.20.3111.9H7 Q8 H15 H88H7-R11 VanDerWaalsContact O-CB 3.25Å; H7-R11 WeakPolarHBondContact O-CB 3.39Å; H7-R11 PolarHBondContact O-N 3.15Å; Q8-R11 PolarHBondContact O-N 3Å; R11-H15 PolarHBondContact O-N 3.23Å; R11-H88 WeakPolarHBondContact CG-NE2 3.38Å; R11-H88 PolarHBondContact O-NE2 3.28Å
12L96.2Very high90.8Very high77 Ų7745.8 Ų45.840%0.40322%0.218SC..Hα-helixtrans-70.6-44.1179.2-70.5173.6000111.6Q8 L14 H15Q8-L12 HydrophobicContact CG-CD1 3.82Å; Q8-L12 HydrophobicContact CG-CG 4.4Å; Q8-L12 WeakPolarHBondContact O-CB 3.42Å; Q8-L12 VanDerWaalsContact O-CG 3.3Å; Q8-L12 WeakPolarHBondContact O-CG 3.37Å; Q8-L12 PolarHBondContact O-N 3.02Å; L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L14 PolarHBondContact O-N 3.24Å; L12-H15 VanDerWaalsContact O-CB 3.32Å; L12-H15 WeakPolarHBondContact O-CB 3.33Å; L12-H15 PolarHBondContact O-N 3.32Å
13L97Very high93.5Very high17 Ų1737 Ų379%0.08918%0.18CC..Hα-helixtrans-59.7-44.1179.4-179.566.3000111.3Q9 H15 L244 I247 A248 W251 L255Q9-L13 WeakPolarHBondContact O-CB 3.43Å; Q9-L13 PolarHBondContact O-N 2.99Å; L13-H15 VanDerWaalsContact C-N 3.31Å; L13-H15 PolarHBondContact O-N 2.97Å; L13-L244 HydrophobicContact CD2-CB 4.22Å; L13-L244 HydrophobicContact CD2-CD2 3.94Å; L13-L244 VanDerWaalsContact CD2-O 3.27Å; L13-L244 WeakPolarHBondContact CD2-O 3.08Å; L13-I247 HydrophobicContact CD1-CG2 4.42Å; L13-I247 HydrophobicContact CD2-CB 4.13Å; L13-I247 HydrophobicContact CD2-CG2 3.92Å; L13-I247 HydrophobicContact CG-CG2 4.22Å; L13-A248 HydrophobicContact CD1-CB 3.77Å; L13-A248 HydrophobicContact CD2-CB 3.96Å; L13-W251 HydrophobicContact CD1-CE3 3.69Å; L13-W251 HydrophobicContact CD1-CZ3 3.93Å; L13-W251 HydrophobicContact CG-CE3 4.31Å; L13-W251 HydrophobicContact CG-CZ3 4.04Å; L13-W251 VanDerWaalsContact O-CZ3 3.31Å; L13-W251 WeakPolarHBondContact O-CZ3 3.25Å; L13-L255 HydrophobicContact CB-CD2 4.49Å; L13-L255 HydrophobicContact CD2-CD2 4.26Å
14L97.9Very high95.2Very high3 Ų330.7 Ų30.72%0.01615%0.151CC..THydrogen-bonded Turntrans-9315.1-175.6-57-179000113.4A10 L12 N16 K17 V19 L34 V38 H88 L244 I247 W251A10-L14 WeakPolarHBondContact O-CB 3.18Å; A10-L14 WeakPolarHBondContact O-CG 3.4Å; A10-L14 PolarHBondContact O-N 3.41Å; L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L14 PolarHBondContact O-N 3.24Å; L14-N16 PolarHBondContact O-N 3.37Å; L14-K17 HydrophobicContact CB-CB 4.5Å; L14-K17 WeakPolarHBondContact O-CB 3.27Å; L14-K17 PolarHBondContact O-N 3.4Å; L14-K17 VanDerWaalsContact O-N 3.12Å; L14-V19 HydrophobicContact CD1-CG2 4.24Å; L14-V19 HydrophobicContact CD2-CG2 3.95Å; L14-L34 HydrophobicContact CD1-CD1 3.83Å; L14-L34 HydrophobicContact CD1-CD2 4.17Å; L14-L34 HydrophobicContact CD1-CG 4.39Å; L14-V38 HydrophobicContact CD1-CG2 4.13Å; L14-H88 PolarHBondContact O-CD2 3.35Å; L14-L244 HydrophobicContact CD1-CD2 3.88Å; L14-L244 HydrophobicContact CD2-CD2 4.47Å; L14-L244 HydrophobicContact CG-CD2 4.14Å; L14-I247 HydrophobicContact CD2-CD1 4.48Å; L14-I247 HydrophobicContact CD2-CG2 4.41Å; L14-W251 HydrophobicContact CD2-CH2 4.25Å; L14-W251 HydrophobicContact CD2-CZ3 4.31Å
15H97.1Very high96.3Very high71 Ų7128.4 Ų28.433%0.32914%0.138SC..THydrogen-bonded Turntrans-66.4127.3179.9-174-84.3000111.6R11 L12 L13 K17 H87R11-H15 PolarHBondContact O-N 3.23Å; L12-H15 VanDerWaalsContact O-CB 3.32Å; L12-H15 WeakPolarHBondContact O-CB 3.33Å; L12-H15 PolarHBondContact O-N 3.32Å; L13-H15 VanDerWaalsContact C-N 3.31Å; L13-H15 PolarHBondContact O-N 2.97Å; H15-K17 PolarHBondContact O-N 3.35Å; H15-H87 AromaticContact CD2-CG 3.8Å; H15-H87 AromaticContact CE1-CG 3.9Å; H15-H87 AromaticContact CE1-ND1 3.73Å; H15-H87 AromaticContact NE2-CD2 3.58Å; H15-H87 AromaticContact NE2-CE1 3.91Å; H15-H87 AromaticContact NE2-CG 3.22Å; H15-H87 AromaticContact NE2-ND1 3.45Å; H15-H87 PolarHBondContact NE2-ND1 2.9Å; H15-H87 AromaticContact NE2-NE2 4Å
16N97.8Very high96.9Very high62 Ų6228.6 Ų28.633%0.33214%0.137SC..THydrogen-bonded Turntrans54.234.8-170.5-64.1-25.6000113.6L14 H87 P379L14-N16 PolarHBondContact O-N 3.37Å; N16-H87 WeakPolarHBondContact CA-O 3.38Å; N16-H87 PolarHBondContact N-O 3.08Å; N16-H87 WeakPolarHBondContact OD1-CA 3.34Å; N16-H87 PolarHBondContact OD1-ND1 3.08Å; N16-H87 VanDerWaalsContact OD1-ND1 3.1Å; N16-P379 HydrophobicContact CB-CB 4.04Å
17K98.1Very high97.2Very high16 Ų1627.3 Ų27.37%0.0713%0.129CC..EExtended strand (participates in β ladder)trans-110.4145.1177.8-56.8-61.8177.4-174.30112.3L14 H15 L89 D117 W251 Y377L14-K17 HydrophobicContact CB-CB 4.5Å; L14-K17 WeakPolarHBondContact O-CB 3.27Å; L14-K17 PolarHBondContact O-N 3.4Å; L14-K17 VanDerWaalsContact O-N 3.12Å; H15-K17 PolarHBondContact O-N 3.35Å; K17-L89 PolarHBondContact O-N 3.23Å; K17-L89 VanDerWaalsContact O-N 3.12Å; K17-D117 WeakPolarHBondContact CA-OD2 3.43Å; K17-D117 HydrophobicContact CB-CB 4.35Å; K17-D117 HydrophobicContact CD-CB 3.95Å; K17-D117 VanDerWaalsContact CD-CG 3.49Å; K17-D117 WeakPolarHBondContact CD-OD1 3.35Å; K17-D117 IonicContact NZ-OD1 3.4Å; K17-D117 PolarHBondContact NZ-OD1 3.03Å; K17-W251 HydrophobicContact CB-CH2 4.44Å; K17-W251 HydrophobicContact CD-CH2 3.85Å; K17-W251 HydrophobicContact CD-CZ2 4.3Å; K17-W251 HydrophobicContact CD-CZ3 4.41Å; K17-W251 HydrophobicContact CG-CH2 3.76Å; K17-W251 HydrophobicContact CG-CZ3 4.16Å; K17-Y377 PolarHBondContact NZ-O 3.36Å
18F98.6Very high97.4Very high4 Ų426.1 Ų26.12%0.01812%0.123CC..EExtended strand (participates in β ladder)trans-102.8110.3168.1179.4-155000110.5V20 L89 R91 L114 P116 D117 V118F18-V20 HydrophobicContact CD2-CG2 4.17Å; F18-V20 HydrophobicContact CE1-CG2 3.93Å; F18-V20 HydrophobicContact CE2-CG2 3.39Å; F18-V20 HydrophobicContact CZ-CG2 3.23Å; F18-L89 CarbonylContact C-O 3.58Å; F18-L89 WeakPolarHBondContact CA-O 3.25Å; F18-L89 HydrophobicContact CB-CB 4.38Å; F18-L89 HydrophobicContact CB-CD2 4.29Å; F18-L89 HydrophobicContact CD1-CD2 4.25Å; F18-L89 HydrophobicContact CD2-CB 3.94Å; F18-L89 HydrophobicContact CD2-CD2 3.48Å; F18-L89 VanDerWaalsContact CD2-CD2 3.48Å; F18-L89 HydrophobicContact CD2-CG 3.44Å; F18-L89 VanDerWaalsContact CD2-CG 3.44Å; F18-L89 HydrophobicContact CE2-CD2 3.8Å; F18-L89 HydrophobicContact CE2-CG 3.81Å; F18-L89 HydrophobicContact CG-CB 4.43Å; F18-L89 HydrophobicContact CG-CD2 3.75Å; F18-L89 HydrophobicContact CG-CG 4.14Å; F18-L89 HydrophobicContact CZ-CD2 4.33Å; F18-R91 HydrophobicContact CE2-CB 3.8Å; F18-R91 HydrophobicContact CZ-CB 4.35Å; F18-L114 HydrophobicContact CB-CD2 4.16Å; F18-L114 HydrophobicContact CD1-CB 4.27Å; F18-L114 HydrophobicContact CD1-CD2 3.81Å; F18-L114 HydrophobicContact CD1-CG 3.88Å; F18-L114 HydrophobicContact CE1-CB 4.44Å; F18-L114 WeakPolarHBondContact CE1-O 3.31Å; F18-L114 HydrophobicContact CG-CD2 4.14Å; F18-P116 VanDerWaalsContact CD1-CA 3.45Å; F18-P116 HydrophobicContact CD1-CB 3.96Å; F18-P116 HydrophobicContact CE1-CB 4.11Å; F18-P116 HydrophobicContact CG-CB 4.37Å; F18-P116 CarbonylContact O-C 3.55Å; F18-P116 WeakPolarHBondContact O-CA 3.31Å; F18-D117 PolarHBondContact N-OD2 2.85Å; F18-D117 PolarHBondContact O-N 3.36Å; F18-V118 PolarHBondContact O-N 3.12Å
19V98.9Very high97.5Very high1 Ų121.7 Ų21.71%0.00610%0.103CC..EExtended strand (participates in β ladder)trans-105.2128.5177.7-177.40000109.9L14 I21 L34 L89 I90 R91 V118 I120L14-V19 HydrophobicContact CD1-CG2 4.24Å; L14-V19 HydrophobicContact CD2-CG2 3.95Å; V19-I21 HydrophobicContact CG1-CG1 4.35Å; V19-L34 HydrophobicContact CG1-CD2 4.27Å; V19-L89 PolarHBondContact N-O 3.15Å; V19-I90 HydrophobicContact CB-CG2 4.37Å; V19-I90 CarbonylContact O-C 3.59Å; V19-I90 VanDerWaalsContact O-CA 3.31Å; V19-I90 WeakPolarHBondContact O-CA 3.31Å; V19-R91 PolarHBondContact O-N 2.9Å; V19-V118 HydrophobicContact CG1-CB 4.31Å; V19-V118 HydrophobicContact CG2-CB 4.3Å; V19-V118 HydrophobicContact CG2-CG2 4.48Å; V19-I120 HydrophobicContact CG1-CD1 4.05Å
20V98.9Very high97.8Very high0 Ų020.5 Ų20.50%010%0.098CC..EExtended strand (participates in β ladder)trans-113.3134.1173.6175.30000110.2F18 L22 R91 Y93 F110 P116 V118 V119 I120F18-V20 HydrophobicContact CD2-CG2 4.17Å; F18-V20 HydrophobicContact CE1-CG2 3.93Å; F18-V20 HydrophobicContact CE2-CG2 3.39Å; F18-V20 HydrophobicContact CZ-CG2 3.23Å; V20-L22 HydrophobicContact CG1-CD2 3.71Å; V20-L22 HydrophobicContact CG1-CG 3.98Å; V20-R91 CarbonylContact C-O 3.6Å; V20-R91 WeakPolarHBondContact CA-O 3.49Å; V20-R91 HydrophobicContact CG2-CB 4.49Å; V20-Y93 HydrophobicContact CG1-CD2 3.91Å; V20-Y93 HydrophobicContact CG1-CE2 3.91Å; V20-F110 HydrophobicContact CG1-CE1 4.33Å; V20-F110 HydrophobicContact CG1-CZ 3.9Å; V20-F110 HydrophobicContact CG2-CE1 4.15Å; V20-F110 HydrophobicContact CG2-CZ 4.43Å; V20-P116 HydrophobicContact CB-CB 4.31Å; V20-P116 HydrophobicContact CG2-CB 3.78Å; V20-P116 HydrophobicContact CG2-CG 4.32Å; V20-V118 PolarHBondContact N-O 2.94Å; V20-V119 HydrophobicContact CB-CG2 4.46Å; V20-V119 CarbonylContact O-C 3.55Å; V20-V119 WeakPolarHBondContact O-CA 3.16Å; V20-I120 PolarHBondContact O-N 2.97Å
21I98.9Very high97.9Very high0 Ų020.5 Ų20.50%010%0.098CC..EExtended strand (participates in β ladder)trans-120.7122.5176.3-59.7167.8000108.5V19 Q27 V30 Y31 L34 I90 R91 F92 Y93 I120V19-I21 HydrophobicContact CG1-CG1 4.35Å; I21-Q27 HydrophobicContact CG2-CB 3.9Å; I21-V30 HydrophobicContact CD1-CG1 4.41Å; I21-Y31 HydrophobicContact CD1-CD2 4.33Å; I21-L34 HydrophobicContact CD1-CD2 4.19Å; I21-I90 HydrophobicContact CD1-CG2 4.34Å; I21-R91 PolarHBondContact N-O 2.85Å; I21-F92 HydrophobicContact CB-CD2 4.3Å; I21-F92 HydrophobicContact CG2-CD2 4.07Å; I21-F92 CarbonylContact O-C 3.57Å; I21-F92 VanDerWaalsContact O-CA 3.29Å; I21-F92 WeakPolarHBondContact O-CA 3.18Å; I21-F92 WeakPolarHBondContact O-CD2 3.32Å; I21-Y93 PolarHBondContact O-N 2.85Å; I21-I120 CarbonylContact C-O 3.51Å; I21-I120 WeakPolarHBondContact CA-O 3.43Å; I21-I120 HydrophobicContact CG1-CB 4.25Å; I21-I120 HydrophobicContact CG1-CD1 4.05Å
22L98.8Very high98Very high0 Ų015 Ų150%08%0.077CC..EExtended strand (participates in β ladder)trans-117.2127.4-179.3-54.9178.3000109.3V20 Y93 M103 I106 V119 I120 V121 N122 F146V20-L22 HydrophobicContact CG1-CD2 3.71Å; V20-L22 HydrophobicContact CG1-CG 3.98Å; L22-Y93 HydrophobicContact CD2-CD2 3.43Å; L22-Y93 VanDerWaalsContact CD2-CD2 3.43Å; L22-Y93 HydrophobicContact CD2-CE2 4.36Å; L22-Y93 HydrophobicContact CD2-CG 3.78Å; L22-M103 HydrophobicContact CD1-CE 4.29Å; L22-M103 HydrophobicContact CD1-SD 4.3Å; L22-I106 HydrophobicContact CD2-CG2 4.19Å; L22-V119 HydrophobicContact CD1-CG1 4.12Å; L22-I120 PolarHBondContact N-O 3.36Å; L22-V121 HydrophobicContact CB-CB 4.46Å; L22-V121 HydrophobicContact CB-CG1 4.05Å; L22-V121 HydrophobicContact CB-CG2 4.27Å; L22-V121 HydrophobicContact CD1-CG1 4.5Å; L22-V121 HydrophobicContact CD1-CG2 3.97Å; L22-V121 HydrophobicContact CG-CG2 4.39Å; L22-V121 WeakPolarHBondContact O-CA 3.45Å; L22-N122 PolarHBondContact O-N 3.15Å; L22-F146 HydrophobicContact CD1-CZ 4.41Å
23G98.2Very high98.1Very high0 Ų011.4 Ų11.40%06%0.058CC..EExtended strand (participates in β ladder)trans160.8-156.516900000114.6Y93 F94 V95 N122G23-Y93 PolarHBondContact N-O 3.06Å; G23-Y93 VanDerWaalsContact N-O 3.14Å; G23-F94 CarbonylContact O-C 3.59Å; G23-F94 VanDerWaalsContact O-CA 3.26Å; G23-F94 WeakPolarHBondContact O-CA 3.36Å; G23-V95 PolarHBondContact O-N 3.22Å; G23-N122 WeakPolarHBondContact CA-O 3.31Å
24D96.5Very high98.2Very high8 Ų811 Ų114%0.0436%0.055CC..SBendtrans-88.1-157.6-176.866.416.8000113I26 Q27 R28 F94D24-I26 PolarHBondContact O-N 3.03Å; D24-I26 VanDerWaalsContact OD1-CB 3.3Å; D24-I26 WeakPolarHBondContact OD1-CB 3.5Å; D24-I26 PolarHBondContact OD1-N 3.09Å; D24-Q27 PolarHBondContact O-N 3.43Å; D24-Q27 VanDerWaalsContact O-N 3.17Å; D24-R28 PolarHBondContact O-N 2.93Å; D24-F94 VanDerWaalsContact C-CE2 3.5Å; D24-F94 HydrophobicContact CB-CZ 4.46Å
25S95.8Very high98.2Very high17 Ų1710.8 Ų10.812%0.1196%0.055CC..Hα-helixtrans-62.9-26.9179.5500000113.7R28 S29 H230S25-R28 VanDerWaalsContact CB-NH2 3.31Å; S25-S29 PolarHBondContact O-N 3.24Å; S25-S29 VanDerWaalsContact O-N 3.17Å; S25-S29 PolarHBondContact O-OG 3.28Å; S25-H230 PolarHBondContact OG-NE2 2.82Å
26I97.3Very high98.3Very high13 Ų137.5 Ų7.57%0.0674%0.039CC..Hα-helixtrans-68.8-44.6175.2-56-59.1000109.1D24 R28 S29 V30 M166 H230 H236D24-I26 PolarHBondContact O-N 3.03Å; D24-I26 VanDerWaalsContact OD1-CB 3.3Å; D24-I26 WeakPolarHBondContact OD1-CB 3.5Å; D24-I26 PolarHBondContact OD1-N 3.09Å; I26-R28 VanDerWaalsContact C-N 3.34Å; I26-S29 WeakPolarHBondContact O-CB 3.47Å; I26-S29 PolarHBondContact O-N 3.15Å; I26-S29 VanDerWaalsContact O-N 3.16Å; I26-V30 WeakPolarHBondContact O-CG2 3.44Å; I26-V30 PolarHBondContact O-N 3.19Å; I26-M166 HydrophobicContact CG2-SD 4.25Å; I26-H230 HydrophobicContact CD1-CB 4.45Å; I26-H236 PolarHBondContact O-CE1 3.46Å
27Q98.4Very high98.3Very high1 Ų14.5 Ų4.51%0.0052%0.024CC..Hα-helixtrans-70.5-30177.3-57.8-48.1-52.800112.4I21 D24 S29 V30 Y31 F92 N122 N163I21-Q27 HydrophobicContact CG2-CB 3.9Å; D24-Q27 PolarHBondContact O-N 3.43Å; D24-Q27 VanDerWaalsContact O-N 3.17Å; Q27-S29 VanDerWaalsContact C-N 3.29Å; Q27-S29 PolarHBondContact O-N 3.2Å; Q27-V30 WeakPolarHBondContact O-CB 3.3Å; Q27-V30 PolarHBondContact O-N 2.83Å; Q27-Y31 PolarHBondContact O-N 3.5Å; Q27-F92 HydrophobicContact CB-CE2 4.16Å; Q27-N122 HydrophobicContact CG-CB 3.71Å; Q27-N163 PolarHBondContact OE1-ND2 3.49Å
28R98.4Very high98.3Very high18 Ų184 Ų47%0.0682%0.021CC..Hα-helixtrans-58.3-43.2167.9-175.3170.557.9-125.3-11.5111.5D24 S25 I26 Y31 K32 E79 F92D24-R28 PolarHBondContact O-N 2.93Å; S25-R28 VanDerWaalsContact CB-NH2 3.31Å; I26-R28 VanDerWaalsContact C-N 3.34Å; R28-Y31 WeakPolarHBondContact O-CB 3.4Å; R28-Y31 PolarHBondContact O-N 3.29Å; R28-K32 HydrophobicContact CG-CD 4.48Å; R28-K32 WeakPolarHBondContact O-CB 3.18Å; R28-K32 WeakPolarHBondContact O-CG 3.25Å; R28-K32 PolarHBondContact O-N 3.4Å; R28-E79 VanDerWaalsContact CD-OE2 3.27Å; R28-E79 WeakPolarHBondContact CD-OE2 3.41Å; R28-E79 IonicContact CZ-OE2 2.84Å; R28-E79 IonicContact NE-OE2 3.17Å; R28-E79 IonicContact NH1-OE2 3.99Å; R28-E79 PolarHBondContact NH1-OE2 2.67Å; R28-F92 HydrophobicContact CB-CD1 4.43Å; R28-F92 HydrophobicContact CB-CE1 3.7Å; R28-F92 HydrophobicContact CB-CE2 4.08Å; R28-F92 HydrophobicContact CB-CZ 3.51Å; R28-F92 HydrophobicContact CG-CD1 4.28Å; R28-F92 HydrophobicContact CG-CE1 3.81Å; R28-F92 HydrophobicContact CG-CZ 4.17Å
29S98.5Very high98.2Very high6 Ų65.8 Ų5.84%0.0423%0.03CC..Hα-helixtrans-69.6-33177.2-67.40000112.6S25 I26 Q27 K32 D33 H236S25-S29 PolarHBondContact O-N 3.24Å; S25-S29 VanDerWaalsContact O-N 3.17Å; S25-S29 PolarHBondContact O-OG 3.28Å; I26-S29 WeakPolarHBondContact O-CB 3.47Å; I26-S29 PolarHBondContact O-N 3.15Å; I26-S29 VanDerWaalsContact O-N 3.16Å; Q27-S29 VanDerWaalsContact C-N 3.29Å; Q27-S29 PolarHBondContact O-N 3.2Å; S29-K32 PolarHBondContact O-N 3.41Å; S29-D33 WeakPolarHBondContact O-CB 3.44Å; S29-D33 PolarHBondContact O-N 2.91Å; S29-H236 WeakPolarHBondContact CB-CE1 2.99Å; S29-H236 WeakPolarHBondContact CB-ND1 3.21Å; S29-H236 VanDerWaalsContact CB-NE2 3.29Å; S29-H236 WeakPolarHBondContact CB-NE2 3.38Å
30V98.7Very high98.1Very high1 Ų18.8 Ų8.81%0.0064%0.043CC..Hα-helixtrans-62.2-47.4170174.60000110.7I21 I26 Q27 K32 D33 L34 I239 L243I21-V30 HydrophobicContact CD1-CG1 4.41Å; I26-V30 WeakPolarHBondContact O-CG2 3.44Å; I26-V30 PolarHBondContact O-N 3.19Å; Q27-V30 WeakPolarHBondContact O-CB 3.3Å; Q27-V30 PolarHBondContact O-N 2.83Å; V30-K32 PolarHBondContact O-N 2.85Å; V30-D33 PolarHBondContact O-N 3.17Å; V30-L34 WeakPolarHBondContact O-CB 3.31Å; V30-L34 PolarHBondContact O-N 3.5Å; V30-I239 HydrophobicContact CG1-CG2 4.37Å; V30-I239 HydrophobicContact CG2-CB 4.32Å; V30-I239 HydrophobicContact CG2-CD1 4.22Å; V30-I239 HydrophobicContact CG2-CG2 3.72Å; V30-L243 HydrophobicContact CG1-CD1 3.67Å
31Y98.9Very high98Very high0 Ų013.6 Ų13.60%07%0.069CC..Hα-helixtrans-56.2-50.5173.7163.3-94.8000111.7I21 Q27 R28 D33 L34 V35 D60 R81 Q82 Y83 I90 F92I21-Y31 HydrophobicContact CD1-CD2 4.33Å; Q27-Y31 PolarHBondContact O-N 3.5Å; R28-Y31 WeakPolarHBondContact O-CB 3.4Å; R28-Y31 PolarHBondContact O-N 3.29Å; Y31-D33 VanDerWaalsContact C-N 3.33Å; Y31-D33 PolarHBondContact O-N 3.42Å; Y31-L34 PolarHBondContact O-N 2.96Å; Y31-V35 HydrophobicContact CD1-CG2 4.47Å; Y31-V35 HydrophobicContact CD2-CG2 4.11Å; Y31-V35 HydrophobicContact CE1-CG2 4.05Å; Y31-V35 HydrophobicContact CE2-CG2 3.69Å; Y31-V35 HydrophobicContact CG-CG2 4.49Å; Y31-V35 WeakPolarHBondContact O-CG2 3.37Å; Y31-V35 PolarHBondContact O-N 3.48Å; Y31-D60 WeakPolarHBondContact CE1-OD2 3.12Å; Y31-D60 VanDerWaalsContact OH-CB 3.31Å; Y31-D60 WeakPolarHBondContact OH-CB 3.4Å; Y31-D60 PolarHBondContact OH-OD2 3.05Å; Y31-R81 HydrophobicContact CE1-CB 3.69Å; Y31-R81 HydrophobicContact CE1-CG 4.4Å; Y31-Q82 PolarHBondContact OH-N 3.27Å; Y31-Y83 PolarHBondContact OH-N 2.87Å; Y31-I90 HydrophobicContact CD2-CG2 3.66Å; Y31-I90 HydrophobicContact CE2-CB 4.24Å; Y31-I90 HydrophobicContact CE2-CG2 3.78Å; Y31-F92 HydrophobicContact CD1-CB 3.9Å; Y31-F92 HydrophobicContact CD1-CG 4.39Å; Y31-F92 HydrophobicContact CD2-CB 3.45Å; Y31-F92 VanDerWaalsContact CD2-CB 3.45Å; Y31-F92 HydrophobicContact CE1-CB 4.35Å; Y31-F92 HydrophobicContact CE2-CB 3.92Å; Y31-F92 HydrophobicContact CG-CB 3.43Å; Y31-F92 VanDerWaalsContact CG-CB 3.43Å; Y31-F92 HydrophobicContact CG-CG 4.1Å
32K98.8Very high97.9Very high1 Ų121.5 Ų21.50%0.00410%0.098CC..Hα-helixtrans-60.8-42.3-179.8-77.5-175.7159.6-177.50112.2R28 S29 V30 V35 V36 L44 Q48 S51 E54 F57R28-K32 HydrophobicContact CG-CD 4.48Å; R28-K32 WeakPolarHBondContact O-CB 3.18Å; R28-K32 WeakPolarHBondContact O-CG 3.25Å; R28-K32 PolarHBondContact O-N 3.4Å; S29-K32 PolarHBondContact O-N 3.41Å; V30-K32 PolarHBondContact O-N 2.85Å; K32-V35 PolarHBondContact O-N 3.41Å; K32-V36 WeakPolarHBondContact O-CG2 3.36Å; K32-V36 PolarHBondContact O-N 2.98Å; K32-L44 HydrophobicContact CB-CD1 4.01Å; K32-L44 HydrophobicContact CB-CD2 3.84Å; K32-Q48 PolarHBondContact NZ-O 2.64Å; K32-S51 PolarHBondContact NZ-O 2.87Å; K32-E54 WeakPolarHBondContact CE-OE1 3.3Å; K32-E54 IonicContact NZ-OE1 3.42Å; K32-E54 PolarHBondContact NZ-OE1 3.05Å; K32-F57 HydrophobicContact CB-CD1 4.36Å; K32-F57 HydrophobicContact CB-CE1 3.62Å; K32-F57 HydrophobicContact CB-CE2 4.31Å; K32-F57 HydrophobicContact CB-CZ 3.58Å; K32-F57 HydrophobicContact CD-CD1 4.5Å; K32-F57 HydrophobicContact CD-CD2 4.25Å; K32-F57 HydrophobicContact CD-CE1 4.38Å; K32-F57 HydrophobicContact CD-CE2 4.1Å; K32-F57 HydrophobicContact CD-CG 4.45Å; K32-F57 HydrophobicContact CD-CZ 4.18Å; K32-F57 HydrophobicContact CG-CD1 3.84Å; K32-F57 HydrophobicContact CG-CD2 4.43Å; K32-F57 HydrophobicContact CG-CE1 3.6Å; K32-F57 HydrophobicContact CG-CE2 4.2Å; K32-F57 HydrophobicContact CG-CG 4.26Å; K32-F57 HydrophobicContact CG-CZ 3.79Å; K32-F57 WeakPolarHBondContact O-CE1 3.35Å
33D98.8Very high97.8Very high0 Ų026.6 Ų26.60%012%0.119CC..Hα-helixtrans-65-42.9178.1-175.8-97.4000111.3S29 V30 Y31 V36 L37 L44 H236 R237 T240S29-D33 WeakPolarHBondContact O-CB 3.44Å; S29-D33 PolarHBondContact O-N 2.91Å; V30-D33 PolarHBondContact O-N 3.17Å; Y31-D33 VanDerWaalsContact C-N 3.33Å; Y31-D33 PolarHBondContact O-N 3.42Å; D33-V36 PolarHBondContact O-N 2.84Å; D33-L37 WeakPolarHBondContact O-CB 3.43Å; D33-L37 PolarHBondContact O-N 3.5Å; D33-L44 HydrophobicContact CB-CD1 3.86Å; D33-L44 HydrophobicContact CB-CG 4.22Å; D33-H236 HydrophobicContact CB-CB 4.34Å; D33-R237 WeakPolarHBondContact OD1-CA 3.24Å; D33-R237 IonicContact OD1-CZ 3.8Å; D33-R237 IonicContact OD1-NE 3.65Å; D33-R237 PolarHBondContact OD1-NE 3.5Å; D33-R237 IonicContact OD1-NH2 3.87Å; D33-R237 IonicContact OD2-CZ 3.74Å; D33-R237 IonicContact OD2-NE 3.38Å; D33-R237 PolarHBondContact OD2-NE 2.83Å; D33-R237 VanDerWaalsContact OD2-NE 3.11Å; D33-R237 IonicContact OD2-NH2 2.86Å; D33-R237 PolarHBondContact OD2-NH2 3.15Å; D33-T240 WeakPolarHBondContact OD1-CB 3.39Å; D33-T240 PolarHBondContact OD1-OG1 3.37Å
34L98.8Very high97.8Very high8 Ų827 Ų274%0.04212%0.121CC..Hα-helixtrans-63.4-42.9176.5-17763.6000111.9L14 V19 I21 V30 Y31 V36 L37 V38 I90 T240 L244L14-L34 HydrophobicContact CD1-CD1 3.83Å; L14-L34 HydrophobicContact CD1-CD2 4.17Å; L14-L34 HydrophobicContact CD1-CG 4.39Å; V19-L34 HydrophobicContact CG1-CD2 4.27Å; I21-L34 HydrophobicContact CD1-CD2 4.19Å; V30-L34 WeakPolarHBondContact O-CB 3.31Å; V30-L34 PolarHBondContact O-N 3.5Å; Y31-L34 PolarHBondContact O-N 2.96Å; L34-V36 VanDerWaalsContact C-N 3.33Å; L34-V36 PolarHBondContact O-N 3.39Å; L34-L37 PolarHBondContact O-N 3.05Å; L34-V38 HydrophobicContact CD1-CG2 4.01Å; L34-V38 HydrophobicContact CG-CG2 4.31Å; L34-V38 WeakPolarHBondContact O-CB 3.45Å; L34-V38 WeakPolarHBondContact O-CG2 3.22Å; L34-V38 PolarHBondContact O-N 3.22Å; L34-I90 HydrophobicContact CD2-CD1 4.05Å; L34-I90 HydrophobicContact CD2-CG2 4.15Å; L34-I90 HydrophobicContact CG-CD1 3.99Å; L34-T240 HydrophobicContact CB-CG2 4.24Å; L34-T240 HydrophobicContact CD1-CG2 3.81Å; L34-L244 HydrophobicContact CD1-CD2 4.09Å
35V98.7Very high97.9Very high0 Ų030.1 Ų30.10%014%0.14CC..Hα-helixtrans-60.1-42.7176166.70000111.2Y31 K32 Q39 F57 E58 Y83 I90Y31-V35 HydrophobicContact CD1-CG2 4.47Å; Y31-V35 HydrophobicContact CD2-CG2 4.11Å; Y31-V35 HydrophobicContact CE1-CG2 4.05Å; Y31-V35 HydrophobicContact CE2-CG2 3.69Å; Y31-V35 HydrophobicContact CG-CG2 4.49Å; Y31-V35 WeakPolarHBondContact O-CG2 3.37Å; Y31-V35 PolarHBondContact O-N 3.48Å; K32-V35 PolarHBondContact O-N 3.41Å; V35-Q39 VanDerWaalsContact CG1-NE2 3.33Å; V35-Q39 WeakPolarHBondContact O-CG 3.4Å; V35-Q39 PolarHBondContact O-NE2 3.01Å; V35-F57 HydrophobicContact CB-CE1 4.1Å; V35-F57 HydrophobicContact CG1-CD1 4.24Å; V35-F57 HydrophobicContact CG1-CE1 3.94Å; V35-E58 HydrophobicContact CG1-CB 4.08Å; V35-Y83 HydrophobicContact CG1-CD2 3.85Å; V35-Y83 HydrophobicContact CG1-CG 4.02Å; V35-Y83 HydrophobicContact CG2-CG 4.09Å; V35-I90 HydrophobicContact CG2-CD1 4.3Å
36V98.5Very high97.9Very high1 Ų134.2 Ų34.21%0.00616%0.16CC..Hα-helixtrans-64.3-48.2174.1171.20000110.6K32 D33 L34 V38 Q39 K40 R42 L44 F57 E58K32-V36 WeakPolarHBondContact O-CG2 3.36Å; K32-V36 PolarHBondContact O-N 2.98Å; D33-V36 PolarHBondContact O-N 2.84Å; L34-V36 VanDerWaalsContact C-N 3.33Å; L34-V36 PolarHBondContact O-N 3.39Å; V36-V38 PolarHBondContact O-N 3.45Å; V36-Q39 CarbonylContact O-C 3.56Å; V36-Q39 WeakPolarHBondContact O-CA 3.36Å; V36-Q39 PolarHBondContact O-N 3.24Å; V36-K40 HydrophobicContact CG1-CG 4.12Å; V36-K40 PolarHBondContact O-N 2.79Å; V36-R42 HydrophobicContact CG1-CB 4.11Å; V36-R42 WeakPolarHBondContact CG1-O 3.49Å; V36-L44 HydrophobicContact CG2-CD2 3.88Å; V36-F57 HydrophobicContact CG2-CE1 4.26Å; V36-F57 HydrophobicContact CG2-CZ 3.67Å; V36-E58 HydrophobicContact CG2-CB 4.44Å; V36-E58 HydrophobicContact CG2-CG 3.8Å
37L98.2Very high97.8Very high0 Ų043.2 Ų43.20%019%0.193CC..Hα-helixtrans-63.3-40.9-175.6-176.852.5000112.2A5 H7 A10 D33 L34 Q39 K40 R237 T240 L244A5-L37 HydrophobicContact CB-CD2 4.35Å; H7-L37 WeakPolarHBondContact CA-O 3.29Å; H7-L37 HydrophobicContact CB-CD1 4.29Å; H7-L37 WeakPolarHBondContact CB-O 3.27Å; H7-L37 PolarHBondContact ND1-O 3.29Å; A10-L37 HydrophobicContact CB-CD2 4.09Å; A10-L37 HydrophobicContact CB-CG 3.8Å; D33-L37 WeakPolarHBondContact O-CB 3.43Å; D33-L37 PolarHBondContact O-N 3.5Å; L34-L37 PolarHBondContact O-N 3.05Å; L37-Q39 PolarHBondContact O-N 2.91Å; L37-K40 PolarHBondContact O-N 2.94Å; L37-R237 VanDerWaalsContact CD1-NH1 3.33Å; L37-T240 HydrophobicContact CD2-CG2 3.77Å; L37-L244 HydrophobicContact CD2-CD1 3.71Å
38V97.8Very high97.8Very high4 Ų444.7 Ų44.72%0.02420%0.2CC..THydrogen-bonded Turntrans-64.7-11.3175.8170.80000112.4H7 A10 L14 L34 V36 Y83 H88 I90H7-V38 VanDerWaalsContact CE1-C 3.46Å; H7-V38 PolarHBondContact CE1-O 3.01Å; H7-V38 PolarHBondContact ND1-O 3.24Å; H7-V38 VanDerWaalsContact ND1-O 3.07Å; A10-V38 HydrophobicContact CB-CG2 4.06Å; L14-V38 HydrophobicContact CD1-CG2 4.13Å; L34-V38 HydrophobicContact CD1-CG2 4.01Å; L34-V38 HydrophobicContact CG-CG2 4.31Å; L34-V38 WeakPolarHBondContact O-CB 3.45Å; L34-V38 WeakPolarHBondContact O-CG2 3.22Å; L34-V38 PolarHBondContact O-N 3.22Å; V36-V38 PolarHBondContact O-N 3.45Å; V38-Y83 HydrophobicContact CG1-CE1 4.2Å; V38-H88 HydrophobicContact CG1-CB 4.42Å; V38-I90 HydrophobicContact CG2-CD1 4.14Å
39Q97.2Very high97.7Very high43 Ų4345.1 Ų45.120%0.20120%0.204CC..THydrogen-bonded Turntrans-109-35.7176.6-66.6176.476.700114.4H7 V35 V36 L37 E58 Y83H7-Q39 PolarHBondContact CE1-O 3.34Å; H7-Q39 VanDerWaalsContact CE1-O 3.28Å; H7-Q39 PolarHBondContact ND1-N 3.4Å; V35-Q39 VanDerWaalsContact CG1-NE2 3.33Å; V35-Q39 WeakPolarHBondContact O-CG 3.4Å; V35-Q39 PolarHBondContact O-NE2 3.01Å; V36-Q39 CarbonylContact O-C 3.56Å; V36-Q39 WeakPolarHBondContact O-CA 3.36Å; V36-Q39 PolarHBondContact O-N 3.24Å; L37-Q39 PolarHBondContact O-N 2.91Å; Q39-E58 PolarHBondContact NE2-O 3.47Å; Q39-E58 PolarHBondContact OE1-O 2.84Å; Q39-Y83 HydrophobicContact CG-CE2 4.09Å; Q39-Y83 WeakPolarHBondContact CG-OH 3.3Å
40K96.7Very high97.4Very high64 Ų6449.8 Ų49.828%0.27822%0.223SC..  trans-164.5152.5-173.161.4-163-179.7-161.30112.8H7 V36 L37 R42 E58H7-K40 PolarHBondContact ND1-N 3.46Å; V36-K40 HydrophobicContact CG1-CG 4.12Å; V36-K40 PolarHBondContact O-N 2.79Å; L37-K40 PolarHBondContact O-N 2.94Å; K40-R42 HydrophobicContact CD-CG 4.35Å; K40-R42 HydrophobicContact CG-CB 4.18Å; K40-R42 HydrophobicContact CG-CG 4.14Å; K40-R42 PolarHBondContact O-N 3.08Å; K40-E58 IonicContact NZ-OE1 3.74Å; K40-E58 PolarHBondContact NZ-OE1 3.47Å; K40-E58 IonicContact NZ-OE2 2.75Å; K40-E58 PolarHBondContact NZ-OE2 3.16Å
41D96.1Very high97.2Very high100 Ų10051.2 Ų51.254%0.53523%0.233SC..SBendtrans-75.468.8173.2-74.8-60.6000112.3T6 H7T6-D41 VanDerWaalsContact CA-OD1 3.31Å; T6-D41 WeakPolarHBondContact CA-OD1 3.18Å; H7-D41 WeakPolarHBondContact CB-OD2 3.49Å; H7-D41 PolarHBondContact N-OD1 2.83Å
42R96.6Very high96.9Very high166 Ų16654.3 Ų54.363%0.62625%0.247SC*.  trans-133.1150.1174-66.5-165.4176.6-170.8-0.5112V36 K40 R237V36-R42 HydrophobicContact CG1-CB 4.11Å; V36-R42 WeakPolarHBondContact CG1-O 3.49Å; K40-R42 HydrophobicContact CD-CG 4.35Å; K40-R42 HydrophobicContact CG-CB 4.18Å; K40-R42 HydrophobicContact CG-CG 4.14Å; K40-R42 PolarHBondContact O-N 3.08Å; R42-R237 PolarHBondContact O-NH2 2.94Å
43Y97.6Very high96.8Very high108 Ų10854.3 Ų54.342%0.42425%0.247SC..PPolyproline II helixtrans-81158.5169.3-71.1-94.5000110.7A233 R237Y43-A233 HydrophobicContact CD1-CB 4.32Å; Y43-R237 HydrophobicContact CD1-CB 3.76Å; Y43-R237 HydrophobicContact CD1-CG 4.2Å; Y43-R237 HydrophobicContact CE1-CB 3.39Å; Y43-R237 HydrophobicContact CE1-CG 3.56Å
44L98.1Very high96.7Very high8 Ų856.6 Ų56.64%0.04226%0.257CS..PPolyproline II helixtrans-61.3136165.9-67.1172.4000110.9K32 D33 V36 Q48 L49 F57 A233K32-L44 HydrophobicContact CB-CD1 4.01Å; K32-L44 HydrophobicContact CB-CD2 3.84Å; D33-L44 HydrophobicContact CB-CD1 3.86Å; D33-L44 HydrophobicContact CB-CG 4.22Å; V36-L44 HydrophobicContact CG2-CD2 3.88Å; L44-Q48 HydrophobicContact CD2-CB 4.13Å; L44-L49 HydrophobicContact CB-CD2 4.26Å; L44-L49 HydrophobicContact CB-CG 4.02Å; L44-L49 HydrophobicContact CD1-CD2 3.63Å; L44-L49 HydrophobicContact CD1-CG 4.25Å; L44-F57 HydrophobicContact CD2-CE2 4.05Å; L44-F57 HydrophobicContact CD2-CZ 3.6Å; L44-A233 HydrophobicContact CB-CB 4.21Å; L44-A233 WeakPolarHBondContact O-CB 3.48Å
45T97.6Very high96.6Very high73 Ų7361.3 Ų61.345%0.44828%0.281SS..PPolyproline II helixtrans-73.3159167.3630000110.8R47 Q48 L49T45-R47 PolarHBondContact O-N 3.4Å; T45-Q48 PolarHBondContact O-N 3.38Å; T45-Q48 VanDerWaalsContact O-N 3.07Å; T45-Q48 WeakPolarHBondContact OG1-CB 3.35Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.21Å; T45-Q48 PolarHBondContact OG1-N 3.21Å; T45-Q48 PolarHBondContact OG1-OE1 3.43Å; T45-L49 PolarHBondContact O-N 3.11Å
46L95.8Very high96.6Very high104 Ų10465 Ų6555%0.54531%0.307SS..Hα-helixtrans-57.6-37.4174.9-176.960.4000112.2L49 K50L46-L49 PolarHBondContact O-N 2.91Å; L46-K50 HydrophobicContact CD1-CD 4.18Å; L46-K50 HydrophobicContact CD1-CG 4.48Å; L46-K50 HydrophobicContact CG-CD 4.01Å; L46-K50 WeakPolarHBondContact O-CB 3.5Å; L46-K50 VanDerWaalsContact O-CG 3.31Å; L46-K50 WeakPolarHBondContact O-CG 3.3Å; L46-K50 PolarHBondContact O-N 3.11Å; L46-K50 VanDerWaalsContact O-N 3.1Å
47R96.4Very high96.6Very high202 Ų20265.4 Ų65.476%0.76231%0.308SS*.Hα-helixtrans-60.9-47.8174.6-177.4178.9176.2-175.6-1.1110.9T45 L49 K50 S51T45-R47 PolarHBondContact O-N 3.4Å; R47-L49 VanDerWaalsContact C-N 3.33Å; R47-L49 PolarHBondContact O-N 3.24Å; R47-K50 PolarHBondContact O-N 3.28Å; R47-K50 VanDerWaalsContact O-N 3.13Å; R47-S51 PolarHBondContact O-N 2.67Å; R47-S51 PolarHBondContact O-OG 3.46Å; R47-S51 VanDerWaalsContact O-OG 3.06Å
48Q97.4Very high96.5Very high31 Ų3167.8 Ų67.815%0.14532%0.319CS..Hα-helixtrans-63.6-36.5-179.9-74.6168.7-45.900113K32 L44 T45 K50 F57 E58K32-Q48 PolarHBondContact NZ-O 2.64Å; L44-Q48 HydrophobicContact CD2-CB 4.13Å; T45-Q48 PolarHBondContact O-N 3.38Å; T45-Q48 VanDerWaalsContact O-N 3.07Å; T45-Q48 WeakPolarHBondContact OG1-CB 3.35Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.21Å; T45-Q48 PolarHBondContact OG1-N 3.21Å; T45-Q48 PolarHBondContact OG1-OE1 3.43Å; Q48-K50 VanDerWaalsContact C-N 3.34Å; Q48-F57 HydrophobicContact CB-CE2 3.88Å; Q48-F57 HydrophobicContact CG-CD2 4.25Å; Q48-F57 HydrophobicContact CG-CE2 3.69Å; Q48-E58 PolarHBondContact NE2-OE1 2.91Å
49L95.8Very high96.5Very high28 Ų2874.4 Ų74.415%0.14735%0.354CS..Hα-helixtrans-64.4-38.1173-75.7168.7000112.4L44 T45 L46 R47 A233L44-L49 HydrophobicContact CB-CD2 4.26Å; L44-L49 HydrophobicContact CB-CG 4.02Å; L44-L49 HydrophobicContact CD1-CD2 3.63Å; L44-L49 HydrophobicContact CD1-CG 4.25Å; T45-L49 PolarHBondContact O-N 3.11Å; L46-L49 PolarHBondContact O-N 2.91Å; R47-L49 VanDerWaalsContact C-N 3.33Å; R47-L49 PolarHBondContact O-N 3.24Å; L49-A233 HydrophobicContact CD1-CB 4.05Å
50K92.3Very high96.6Very high104 Ų10472.7 Ų72.745%0.45235%0.346SS..Hα-helixtrans-78.5-33-178.1-73.7171.9167-176.70113.1L46 R47 Q48 F295L46-K50 HydrophobicContact CD1-CD 4.18Å; L46-K50 HydrophobicContact CD1-CG 4.48Å; L46-K50 HydrophobicContact CG-CD 4.01Å; L46-K50 WeakPolarHBondContact O-CB 3.5Å; L46-K50 VanDerWaalsContact O-CG 3.31Å; L46-K50 WeakPolarHBondContact O-CG 3.3Å; L46-K50 PolarHBondContact O-N 3.11Å; L46-K50 VanDerWaalsContact O-N 3.1Å; R47-K50 PolarHBondContact O-N 3.28Å; R47-K50 VanDerWaalsContact O-N 3.13Å; Q48-K50 VanDerWaalsContact C-N 3.34Å; K50-F295 HydrophobicContact CB-CZ 4.25Å; K50-F295 HydrophobicContact CD-CE1 4.34Å; K50-F295 HydrophobicContact CD-CE2 4.21Å; K50-F295 HydrophobicContact CD-CZ 3.49Å; K50-F295 VanDerWaalsContact CD-CZ 3.49Å; K50-F295 HydrophobicContact CG-CE1 4.28Å; K50-F295 HydrophobicContact CG-CZ 3.74Å
51S94.5Very high96.6Very high31 Ų3172.5 Ų72.522%0.21735%0.352CS..  trans-64.7141.2-179.6-61.40000112.2K32 R47 E54K32-S51 PolarHBondContact NZ-O 2.87Å; R47-S51 PolarHBondContact O-N 2.67Å; R47-S51 PolarHBondContact O-OG 3.46Å; R47-S51 VanDerWaalsContact O-OG 3.06Å; S51-E54 WeakPolarHBondContact CB-OE1 3.47Å; S51-E54 WeakPolarHBondContact CB-OE2 3.32Å; S51-E54 PolarHBondContact OG-OE2 2.97Å
52K94.2Very high96.8Very high65 Ų6568.4 Ų68.428%0.28333%0.33SS..  trans-144.8145176.762.3-179.5-178.5-179.50109.9E54 M71 N73K52-E54 PolarHBondContact O-N 3.43Å; K52-M71 HydrophobicContact CD-CE 4.41Å; K52-M71 HydrophobicContact CG-CE 3.81Å; K52-M71 WeakPolarHBondContact O-CE 3.49Å; K52-N73 PolarHBondContact NZ-OD1 3.33Å
53G95.6Very high96.8Very high1 Ų164.1 Ų64.11%0.0132%0.322CS..SBendtrans63.820.617500000115.3C67 E79G53-C67 WeakPolarHBondContact O-CB 3.46Å; G53-C67 PolarHBondContact O-N 2.95Å; G53-C67 PolarHBondContact O-SG 3.23Å; G53-E79 WeakPolarHBondContact CA-OE1 3.44Å; G53-E79 PolarHBondContact N-OE1 3.12Å
54E96.8Very high96.8Very high47 Ų4762.5 Ų62.522%0.2232%0.318CS..  trans-72.6150.1176.259.5-138.9116.600112.2K32 S51 K52 S56 F57 R81K32-E54 WeakPolarHBondContact CE-OE1 3.3Å; K32-E54 IonicContact NZ-OE1 3.42Å; K32-E54 PolarHBondContact NZ-OE1 3.05Å; S51-E54 WeakPolarHBondContact CB-OE1 3.47Å; S51-E54 WeakPolarHBondContact CB-OE2 3.32Å; S51-E54 PolarHBondContact OG-OE2 2.97Å; K52-E54 PolarHBondContact O-N 3.43Å; E54-S56 WeakPolarHBondContact CG-O 3.39Å; E54-S56 PolarHBondContact O-N 3.22Å; E54-F57 HydrophobicContact CG-CB 4.35Å; E54-R81 VanDerWaalsContact O-CZ 3.32Å; E54-R81 PolarHBondContact O-NH1 3.17Å; E54-R81 PolarHBondContact O-NH2 3.47Å
55M97.8Very high96.7Very high108 Ų10862.1 Ų62.153%0.53232%0.317SS..SBendtrans-56.9-36.2-178.7-75.2-59.8-61.300113.5L62 C67 L68M55-L62 WeakPolarHBondContact O-CB 3.17Å; M55-L62 PolarHBondContact O-N 3.2Å; M55-C67 PolarHBondContact SD-SG 2.78Å; M55-L68 HydrophobicContact CE-CD2 3.93Å; M55-L68 HydrophobicContact SD-CD2 3.59Å; M55-L68 VanDerWaalsContact SD-CD2 3.59Å; M55-L68 HydrophobicContact SD-CG 4.32Å
56S97.9Very high96.6Very high78 Ų7858.7 Ų58.755%0.54530%0.296SS..  trans-152.5150.9179.260.40000111.6E54 D60E54-S56 WeakPolarHBondContact CG-O 3.39Å; E54-S56 PolarHBondContact O-N 3.22Å; S56-D60 WeakPolarHBondContact CA-O 3.46Å; S56-D60 WeakPolarHBondContact CB-O 3.41Å
57F98.1Very high96.6Very high9 Ų956.6 Ų56.64%0.03929%0.289CS..SBendtrans-144.9118.1177.9162.9-93.7000107.9K32 V35 V36 L44 Q48 E54 L59 D60K32-F57 HydrophobicContact CB-CD1 4.36Å; K32-F57 HydrophobicContact CB-CE1 3.62Å; K32-F57 HydrophobicContact CB-CE2 4.31Å; K32-F57 HydrophobicContact CB-CZ 3.58Å; K32-F57 HydrophobicContact CD-CD1 4.5Å; K32-F57 HydrophobicContact CD-CD2 4.25Å; K32-F57 HydrophobicContact CD-CE1 4.38Å; K32-F57 HydrophobicContact CD-CE2 4.1Å; K32-F57 HydrophobicContact CD-CG 4.45Å; K32-F57 HydrophobicContact CD-CZ 4.18Å; K32-F57 HydrophobicContact CG-CD1 3.84Å; K32-F57 HydrophobicContact CG-CD2 4.43Å; K32-F57 HydrophobicContact CG-CE1 3.6Å; K32-F57 HydrophobicContact CG-CE2 4.2Å; K32-F57 HydrophobicContact CG-CG 4.26Å; K32-F57 HydrophobicContact CG-CZ 3.79Å; K32-F57 WeakPolarHBondContact O-CE1 3.35Å; V35-F57 HydrophobicContact CB-CE1 4.1Å; V35-F57 HydrophobicContact CG1-CD1 4.24Å; V35-F57 HydrophobicContact CG1-CE1 3.94Å; V36-F57 HydrophobicContact CG2-CE1 4.26Å; V36-F57 HydrophobicContact CG2-CZ 3.67Å; L44-F57 HydrophobicContact CD2-CE2 4.05Å; L44-F57 HydrophobicContact CD2-CZ 3.6Å; Q48-F57 HydrophobicContact CB-CE2 3.88Å; Q48-F57 HydrophobicContact CG-CD2 4.25Å; Q48-F57 HydrophobicContact CG-CE2 3.69Å; E54-F57 HydrophobicContact CG-CB 4.35Å; F57-L59 PolarHBondContact O-N 3.15Å; F57-D60 WeakPolarHBondContact CA-OD1 3.35Å; F57-D60 WeakPolarHBondContact CB-OD1 3.19Å; F57-D60 PolarHBondContact N-OD1 3.08Å; F57-D60 WeakPolarHBondContact O-CB 3.49Å; F57-D60 PolarHBondContact O-N 3.04Å; F57-D60 VanDerWaalsContact O-OD1 3.1Å
58E97.2Very high96.6Very high50 Ų5051.3 Ų51.323%0.23428%0.276CS..THydrogen-bonded Turntrans46.356.1174-64.1-80.1-171.300113V35 V36 Q39 K40 Q48 D60V35-E58 HydrophobicContact CG1-CB 4.08Å; V36-E58 HydrophobicContact CG2-CB 4.44Å; V36-E58 HydrophobicContact CG2-CG 3.8Å; Q39-E58 PolarHBondContact NE2-O 3.47Å; Q39-E58 PolarHBondContact OE1-O 2.84Å; K40-E58 IonicContact NZ-OE1 3.74Å; K40-E58 PolarHBondContact NZ-OE1 3.47Å; K40-E58 IonicContact NZ-OE2 2.75Å; K40-E58 PolarHBondContact NZ-OE2 3.16Å; Q48-E58 PolarHBondContact NE2-OE1 2.91Å; E58-D60 PolarHBondContact O-N 2.77Å; E58-D60 VanDerWaalsContact O-N 3.15Å
59L97.4Very high96.4Very high143 Ų14354.9 Ų54.975%0.74929%0.291SS*.THydrogen-bonded Turntrans64.87.6-178.3-51.4179.1000115.9F57 Y83F57-L59 PolarHBondContact O-N 3.15Å; L59-Y83 HydrophobicContact CB-CE2 4.24Å
60D98.3Very high96.2Very high6 Ų664.5 Ų64.53%0.03233%0.325CS..  trans-78.8170.2165.997-8.8000112.1Y31 S56 F57 E58 R81 Q82Y31-D60 WeakPolarHBondContact CE1-OD2 3.12Å; Y31-D60 VanDerWaalsContact OH-CB 3.31Å; Y31-D60 WeakPolarHBondContact OH-CB 3.4Å; Y31-D60 PolarHBondContact OH-OD2 3.05Å; S56-D60 WeakPolarHBondContact CA-O 3.46Å; S56-D60 WeakPolarHBondContact CB-O 3.41Å; F57-D60 WeakPolarHBondContact CA-OD1 3.35Å; F57-D60 WeakPolarHBondContact CB-OD1 3.19Å; F57-D60 PolarHBondContact N-OD1 3.08Å; F57-D60 WeakPolarHBondContact O-CB 3.49Å; F57-D60 PolarHBondContact O-N 3.04Å; F57-D60 VanDerWaalsContact O-OD1 3.1Å; E58-D60 PolarHBondContact O-N 2.77Å; E58-D60 VanDerWaalsContact O-N 3.15Å; D60-R81 IonicContact OD1-CZ 3.66Å; D60-R81 IonicContact OD1-NE 2.67Å; D60-R81 IonicContact OD1-NH2 3.73Å; D60-R81 PolarHBondContact OD1-NH2 3.37Å; D60-R81 IonicContact OD2-CZ 3.56Å; D60-R81 IonicContact OD2-NE 2.82Å; D60-R81 PolarHBondContact OD2-NE 3.29Å; D60-R81 IonicContact OD2-NH2 2.63Å; D60-Q82 WeakPolarHBondContact CA-O 3.43Å; D60-Q82 WeakPolarHBondContact CB-O 3.5Å
61C98.4Very high96.1Very high61 Ų6161.9 Ų61.941%0.41232%0.315SS..EExtended strand (participates in β ladder)trans-127.8150.8168.864.50000112.1R81 Q82C61-R81 WeakPolarHBondContact O-CA 3.13Å; C61-Q82 PolarHBondContact N-O 2.88Å; C61-Q82 PolarHBondContact O-N 3.38Å
62L98.6Very high95.9Very high13 Ų1362.9 Ų62.97%0.06832%0.318CS..EExtended strand (participates in β ladder)trans-79.9115.4165.5-177.564.4000109.1M55 E64 L68 E79 R81M55-L62 WeakPolarHBondContact O-CB 3.17Å; M55-L62 PolarHBondContact O-N 3.2Å; L62-E64 WeakPolarHBondContact CD1-O 3.35Å; L62-L68 HydrophobicContact CD2-CD1 4.18Å; L62-L68 HydrophobicContact CD2-CG 3.84Å; L62-L68 HydrophobicContact CG-CD1 3.98Å; L62-L68 HydrophobicContact CG-CG 4.21Å; L62-E79 HydrophobicContact CD1-CG 3.93Å; L62-R81 HydrophobicContact CD1-CG 4.37Å
63V97.8Very high95.6Very high76 Ų7661.7 Ų61.746%0.46132%0.315SS..EExtended strand (participates in β ladder)trans-87.2-43.5-178.5179.50000110.8V80 Q82V63-V80 HydrophobicContact CB-CB 4.14Å; V63-V80 HydrophobicContact CB-CG1 3.99Å; V63-V80 HydrophobicContact CG1-CG1 4.39Å; V63-V80 HydrophobicContact CG2-CG1 4.49Å; V63-V80 PolarHBondContact N-O 3.1Å; V63-Q82 HydrophobicContact CG2-CB 3.62Å
64E96.9Very high95.4Very high74 Ų7462.7 Ų62.735%0.34633%0.325SS..EExtended strand (participates in β ladder)trans-146.4149.8-179.6-178.9179.6176.600110.8L62 K69 E79 V80L62-E64 WeakPolarHBondContact CD1-O 3.35Å; E64-K69 IonicContact OE1-NZ 2.88Å; E64-K69 PolarHBondContact OE1-NZ 3.28Å; E64-E79 CarbonylContact O-C 3.59Å; E64-E79 WeakPolarHBondContact O-CA 3.34Å; E64-V80 HydrophobicContact CB-CB 3.99Å; E64-V80 HydrophobicContact CB-CG2 3.91Å; E64-V80 PolarHBondContact N-O 2.95Å; E64-V80 PolarHBondContact O-N 3.1Å
65G96.6Very high95.2Very high1 Ų162.2 Ų62.21%0.0133%0.326CS..EExtended strand (participates in β ladder)trans78.6-144.216900000111.7C67 L68 T78G65-C67 PolarHBondContact O-N 2.92Å; G65-L68 WeakPolarHBondContact O-CA 3.36Å; G65-L68 VanDerWaalsContact O-CB 3.24Å; G65-L68 WeakPolarHBondContact O-CB 3.3Å; G65-L68 PolarHBondContact O-N 3.34Å; G65-T78 VanDerWaalsContact CA-O 3.25Å; G65-T78 WeakPolarHBondContact CA-O 3.47Å
66G95.1Very high94.9Very high1 Ų164.1 Ų64.11%0.0133%0.333CS..G310 helixtrans52.2-132.6-178.700000112.4L68 K69 M71 T78G66-L68 VanDerWaalsContact C-N 3.28Å; G66-L68 PolarHBondContact O-N 2.8Å; G66-K69 PolarHBondContact O-N 3.21Å; G66-M71 VanDerWaalsContact O-CG 3.31Å; G66-M71 WeakPolarHBondContact O-CG 3.46Å; G66-T78 PolarHBondContact N-O 3.38Å
67C96.3Very high94.7Very high60 Ų6061 Ų6141%0.40531%0.31SS..G310 helixtrans-76.3-5.5176.668.80000114.9G53 M55 G65 M71G53-C67 WeakPolarHBondContact O-CB 3.46Å; G53-C67 PolarHBondContact O-N 2.95Å; G53-C67 PolarHBondContact O-SG 3.23Å; M55-C67 PolarHBondContact SD-SG 2.78Å; G65-C67 PolarHBondContact O-N 2.92Å; C67-M71 HydrophobicContact CB-SD 4.36Å
68L95.6Very high94.5Very high90 Ų9061.8 Ų61.847%0.47132%0.315SS..G310 helixtrans-74.1-18.2170.1-57.7173.5000111.9M55 L62 G65 G66M55-L68 HydrophobicContact CE-CD2 3.93Å; M55-L68 HydrophobicContact SD-CD2 3.59Å; M55-L68 VanDerWaalsContact SD-CD2 3.59Å; M55-L68 HydrophobicContact SD-CG 4.32Å; L62-L68 HydrophobicContact CD2-CD1 4.18Å; L62-L68 HydrophobicContact CD2-CG 3.84Å; L62-L68 HydrophobicContact CG-CD1 3.98Å; L62-L68 HydrophobicContact CG-CG 4.21Å; G65-L68 WeakPolarHBondContact O-CA 3.36Å; G65-L68 VanDerWaalsContact O-CB 3.24Å; G65-L68 WeakPolarHBondContact O-CB 3.3Å; G65-L68 PolarHBondContact O-N 3.34Å; G66-L68 VanDerWaalsContact C-N 3.28Å; G66-L68 PolarHBondContact O-N 2.8Å
69K93.1Very high94.5Very high107 Ų10759.4 Ų59.447%0.46530%0.304SS..SBendtrans-123.7174.8173.9-65.1-177.3-173.9168.30109.3E64 G66 M71E64-K69 IonicContact OE1-NZ 2.88Å; E64-K69 PolarHBondContact OE1-NZ 3.28Å; G66-K69 PolarHBondContact O-N 3.21Å; K69-M71 PolarHBondContact O-N 2.68Å
70R91Very high94.6Very high229 Ų22952.8 Ų52.886%0.86427%0.269SS*.  trans-65.6110.6171.6-176178.5178.1-176.40.4109.7N72R70-N72 PolarHBondContact O-ND2 2.99Å; R70-N72 VanDerWaalsContact O-ND2 3.13Å
71M91.9Very high94.6Very high50 Ų5052.5 Ų52.525%0.24627%0.268CS..  trans-61.4137.5174.8-64.7-176.670.600110.8K52 G66 C67 K69 F298K52-M71 HydrophobicContact CD-CE 4.41Å; K52-M71 HydrophobicContact CG-CE 3.81Å; K52-M71 WeakPolarHBondContact O-CE 3.49Å; G66-M71 VanDerWaalsContact O-CG 3.31Å; G66-M71 WeakPolarHBondContact O-CG 3.46Å; C67-M71 HydrophobicContact CB-SD 4.36Å; K69-M71 PolarHBondContact O-N 2.68Å; M71-F298 HydrophobicContact CB-CD1 4.37Å; M71-F298 HydrophobicContact CB-CE1 3.46Å; M71-F298 VanDerWaalsContact CB-CE1 3.46Å; M71-F298 HydrophobicContact CB-CZ 3.61Å; M71-F298 HydrophobicContact CE-CE1 4.28Å; M71-F298 HydrophobicContact CE-CZ 4.3Å
72N90.1Very high94.6Very high52 Ų5250.9 Ų50.928%0.27825%0.254SS..  trans-152.5165.1179.965.882.2000109.6R70 G74 Y77R70-N72 PolarHBondContact O-ND2 2.99Å; R70-N72 VanDerWaalsContact O-ND2 3.13Å; N72-G74 WeakPolarHBondContact OD1-CA 3.44Å; N72-G74 PolarHBondContact OD1-N 3.1Å; N72-Y77 VanDerWaalsContact O-CD2 3.25Å; N72-Y77 WeakPolarHBondContact O-CD2 3.46Å
73N87.2Confident94.6Very high39 Ų3951.1 Ų51.121%0.20925%0.254CS..SBendtrans-104.222.2174.2-64.1-39.2000110.9K52 L296 F298K52-N73 PolarHBondContact NZ-OD1 3.33Å; N73-L296 PolarHBondContact ND2-O 2.88Å; N73-F298 HydrophobicContact CB-CE2 4.35Å; N73-F298 VanDerWaalsContact CG-CE2 3.45Å; N73-F298 VanDerWaalsContact OD1-CE2 3.24Å; N73-F298 WeakPolarHBondContact OD1-CE2 3.47Å
74G90.9Very high94.6Very high22 Ų2253.5 Ų53.523%0.22726%0.26CS..SBendtrans-85.3175-176.400000112.8N72 E76 Y77N72-G74 WeakPolarHBondContact OD1-CA 3.44Å; N72-G74 PolarHBondContact OD1-N 3.1Å; G74-E76 PolarHBondContact O-N 3.36Å; G74-Y77 WeakPolarHBondContact O-CB 3.41Å; G74-Y77 PolarHBondContact O-N 3.29Å
75T92.6Very high94.6Very high38 Ų3851.9 Ų51.923%0.23326%0.257CS..THydrogen-bonded Turntrans-65.8-21.617552.60000112.9Y77 T96 R130 Y131T75-Y77 VanDerWaalsContact C-N 3.31Å; T75-T96 PolarHBondContact O-OG1 2.82Å; T75-R130 HydrophobicContact CG2-CB 4.29Å; T75-Y131 WeakPolarHBondContact CB-OH 3.37Å; T75-Y131 HydrophobicContact CG2-CE1 3.83Å; T75-Y131 HydrophobicContact CG2-CE2 4.36Å
76E91.9Very high94.6Very high148 Ų14859.1 Ų59.169%0.69230%0.296SS*.THydrogen-bonded Turntrans-884.3179.6-52.7-50.4117.300113.1G74 T78G74-E76 PolarHBondContact O-N 3.36Å; E76-T78 PolarHBondContact O-N 3.47Å
77Y93.5Very high94.7Very high13 Ų1362.9 Ų62.95%0.05131%0.313CS..  trans-65.6127.8174.9-175.2-102.2000110.3N72 G74 T75 E79 F94N72-Y77 VanDerWaalsContact O-CD2 3.25Å; N72-Y77 WeakPolarHBondContact O-CD2 3.46Å; G74-Y77 WeakPolarHBondContact O-CB 3.41Å; G74-Y77 PolarHBondContact O-N 3.29Å; T75-Y77 VanDerWaalsContact C-N 3.31Å; Y77-E79 HydrophobicContact CE1-CB 3.73Å; Y77-E79 PolarHBondContact OH-OE2 3.39Å; Y77-F94 AromaticContact CD1-CD1 3.57Å; Y77-F94 HydrophobicContact CD1-CD1 3.57Å; Y77-F94 HydrophobicContact CD1-CD2 4.4Å; Y77-F94 AromaticContact CD1-CE1 3.74Å; Y77-F94 HydrophobicContact CD1-CE1 3.74Å; Y77-F94 AromaticContact CD1-CG 3.93Å; Y77-F94 HydrophobicContact CD1-CG 3.93Å; Y77-F94 HydrophobicContact CD1-CZ 4.25Å; Y77-F94 HydrophobicContact CE1-CB 4.46Å; Y77-F94 HydrophobicContact CE1-CD1 4.14Å; Y77-F94 HydrophobicContact CE1-CD2 4.2Å; Y77-F94 HydrophobicContact CE1-CE1 4.45Å; Y77-F94 HydrophobicContact CE1-CG 4.01Å
78T94.2Very high94.8Very high24 Ų2460.5 Ų60.515%0.14730%0.296CS..  trans-126.2143.2176.347.30000108.6G65 G66 E76 Y102G65-T78 VanDerWaalsContact CA-O 3.25Å; G65-T78 WeakPolarHBondContact CA-O 3.47Å; G66-T78 PolarHBondContact N-O 3.38Å; E76-T78 PolarHBondContact O-N 3.47Å; T78-Y102 HydrophobicContact CG2-CD1 4.1Å; T78-Y102 HydrophobicContact CG2-CD2 4.16Å; T78-Y102 HydrophobicContact CG2-CE1 3.91Å; T78-Y102 HydrophobicContact CG2-CE2 3.98Å; T78-Y102 HydrophobicContact CG2-CG 4.21Å
79E97.3Very high94.9Very high0 Ų057.3 Ų57.30%028%0.279CS..EExtended strand (participates in β ladder)trans-153.9117.7175.4176.8179.5-16700107.4R28 G53 L62 E64 Y77 R81 F92 F94R28-E79 VanDerWaalsContact CD-OE2 3.27Å; R28-E79 WeakPolarHBondContact CD-OE2 3.41Å; R28-E79 IonicContact CZ-OE2 2.84Å; R28-E79 IonicContact NE-OE2 3.17Å; R28-E79 IonicContact NH1-OE2 3.99Å; R28-E79 PolarHBondContact NH1-OE2 2.67Å; G53-E79 WeakPolarHBondContact CA-OE1 3.44Å; G53-E79 PolarHBondContact N-OE1 3.12Å; L62-E79 HydrophobicContact CD1-CG 3.93Å; E64-E79 CarbonylContact O-C 3.59Å; E64-E79 WeakPolarHBondContact O-CA 3.34Å; Y77-E79 HydrophobicContact CE1-CB 3.73Å; Y77-E79 PolarHBondContact OH-OE2 3.39Å; E79-R81 HydrophobicContact CG-CG 4.02Å; E79-R81 WeakPolarHBondContact OE1-CD 3.47Å; E79-R81 IonicContact OE1-NH1 3.94Å; E79-R81 PolarHBondContact OE1-NH1 3Å; E79-F92 HydrophobicContact CG-CE1 4.49Å; E79-F94 HydrophobicContact CB-CB 3.78Å; E79-F94 PolarHBondContact O-N 3.07Å
80V98.4Very high95.2Very high4 Ų452.4 Ų52.42%0.02426%0.258CS..EExtended strand (participates in β ladder)trans-115.4120.1173.5-174.20000108V63 E64 R91 F92 Y93 Y102V63-V80 HydrophobicContact CB-CB 4.14Å; V63-V80 HydrophobicContact CB-CG1 3.99Å; V63-V80 HydrophobicContact CG1-CG1 4.39Å; V63-V80 HydrophobicContact CG2-CG1 4.49Å; V63-V80 PolarHBondContact N-O 3.1Å; E64-V80 HydrophobicContact CB-CB 3.99Å; E64-V80 HydrophobicContact CB-CG2 3.91Å; E64-V80 PolarHBondContact N-O 2.95Å; E64-V80 PolarHBondContact O-N 3.1Å; V80-R91 HydrophobicContact CG1-CG 4.11Å; V80-F92 CarbonylContact C-O 3.52Å; V80-F92 VanDerWaalsContact CA-O 3.26Å; V80-F92 WeakPolarHBondContact CA-O 3.29Å; V80-Y93 HydrophobicContact CB-CD1 4.39Å; V80-Y93 HydrophobicContact CG1-CD1 3.96Å; V80-Y93 HydrophobicContact CG1-CE1 3.84Å; V80-Y93 HydrophobicContact CG2-CD1 3.59Å; V80-Y93 HydrophobicContact CG2-CE1 3.98Å; V80-Y93 HydrophobicContact CG2-CG 4.47Å; V80-Y102 WeakPolarHBondContact CG2-OH 3.46Å
81R98.6Very high95.6Very high0 Ų043.8 Ų43.80%023%0.225CC..EExtended strand (participates in β ladder)trans-116.5146176.9-54.7-168.276.479.410.2110.5Y31 E54 D60 C61 L62 E79 R91 F92Y31-R81 HydrophobicContact CE1-CB 3.69Å; Y31-R81 HydrophobicContact CE1-CG 4.4Å; E54-R81 VanDerWaalsContact O-CZ 3.32Å; E54-R81 PolarHBondContact O-NH1 3.17Å; E54-R81 PolarHBondContact O-NH2 3.47Å; D60-R81 IonicContact OD1-CZ 3.66Å; D60-R81 IonicContact OD1-NE 2.67Å; D60-R81 IonicContact OD1-NH2 3.73Å; D60-R81 PolarHBondContact OD1-NH2 3.37Å; D60-R81 IonicContact OD2-CZ 3.56Å; D60-R81 IonicContact OD2-NE 2.82Å; D60-R81 PolarHBondContact OD2-NE 3.29Å; D60-R81 IonicContact OD2-NH2 2.63Å; C61-R81 WeakPolarHBondContact O-CA 3.13Å; L62-R81 HydrophobicContact CD1-CG 4.37Å; E79-R81 HydrophobicContact CG-CG 4.02Å; E79-R81 WeakPolarHBondContact OE1-CD 3.47Å; E79-R81 IonicContact OE1-NH1 3.94Å; E79-R81 PolarHBondContact OE1-NH1 3Å; R81-R91 CarbonylContact O-C 3.58Å; R81-R91 VanDerWaalsContact O-CA 3.31Å; R81-R91 WeakPolarHBondContact O-CA 3.42Å; R81-R91 WeakPolarHBondContact O-CG 3.31Å; R81-F92 HydrophobicContact CB-CB 4.37Å; R81-F92 HydrophobicContact CB-CD1 4.5Å; R81-F92 HydrophobicContact CG-CD1 4.24Å; R81-F92 PolarHBondContact N-O 3.46Å; R81-F92 PolarHBondContact O-N 3.44Å
82Q98.7Very high95.9Very high28 Ų2841.4 Ų41.413%0.13121%0.213CC..EExtended strand (participates in β ladder)trans-137.7122.5178.1-178.1171.6-69.100111Y31 D60 C61 V63 Q84 L89 I90 R91Y31-Q82 PolarHBondContact OH-N 3.27Å; D60-Q82 WeakPolarHBondContact CA-O 3.43Å; D60-Q82 WeakPolarHBondContact CB-O 3.5Å; C61-Q82 PolarHBondContact N-O 2.88Å; C61-Q82 PolarHBondContact O-N 3.38Å; V63-Q82 HydrophobicContact CG2-CB 3.62Å; Q82-Q84 HydrophobicContact CG-CB 4.48Å; Q82-L89 HydrophobicContact CG-CD1 3.6Å; Q82-I90 WeakPolarHBondContact CA-O 3.33Å; Q82-R91 VanDerWaalsContact OE1-CZ 3.25Å
83Y98.8Very high96.3Very high17 Ų1739.3 Ų39.37%0.06720%0.202CC..EExtended strand (participates in β ladder)trans-97.2128.6162.3173-99.3000108.4Y31 V35 V38 Q39 L59 H88 I90Y31-Y83 PolarHBondContact OH-N 2.87Å; V35-Y83 HydrophobicContact CG1-CD2 3.85Å; V35-Y83 HydrophobicContact CG1-CG 4.02Å; V35-Y83 HydrophobicContact CG2-CG 4.09Å; V38-Y83 HydrophobicContact CG1-CE1 4.2Å; Q39-Y83 HydrophobicContact CG-CE2 4.09Å; Q39-Y83 WeakPolarHBondContact CG-OH 3.3Å; L59-Y83 HydrophobicContact CB-CE2 4.24Å; Y83-H88 HydrophobicContact CE1-CB 4.13Å; Y83-I90 HydrophobicContact CD1-CD1 4.03Å; Y83-I90 HydrophobicContact CD1-CG1 4.26Å; Y83-I90 PolarHBondContact N-O 3.11Å; Y83-I90 PolarHBondContact O-N 3.04Å
84Q98.4Very high96.8Very high127 Ų12737.9 Ų37.959%0.59319%0.194SC*.EExtended strand (participates in β ladder)trans-138.1127.2178.2-175176.3-7.400110.3Q82 H88 L89Q82-Q84 HydrophobicContact CG-CB 4.48Å; Q84-H88 WeakPolarHBondContact CA-O 3.48Å; Q84-L89 HydrophobicContact CB-CD1 4.04Å; Q84-L89 HydrophobicContact CG-CD1 4.15Å
85S96.9Very high97.1Very high39 Ų3936.9 Ų36.927%0.27318%0.183SC..  trans-121.8-177.3164.566.60000109.6H87 H88S85-H87 PolarHBondContact O-N 3.32Å; S85-H88 PolarHBondContact N-O 3.07Å; S85-H88 WeakPolarHBondContact OG-CB 3.43Å; S85-H88 PolarHBondContact OG-N 3Å; S85-H88 PolarHBondContact OG-ND1 3.36Å
86D96.2Very high97.3Very high154 Ų15435.7 Ų35.782%0.82418%0.176SC*.SBendtrans-58.1-23.3178.2-62-22.1000113.1
87H96.4Very high97.5Very high80 Ų8031.8 Ų31.837%0.3716%0.155SC..SBendtrans-129.51.1-173.1-58.4-54.9000114.4H15 N16 S85H15-H87 AromaticContact CD2-CG 3.8Å; H15-H87 AromaticContact CE1-CG 3.9Å; H15-H87 AromaticContact CE1-ND1 3.73Å; H15-H87 AromaticContact NE2-CD2 3.58Å; H15-H87 AromaticContact NE2-CE1 3.91Å; H15-H87 AromaticContact NE2-CG 3.22Å; H15-H87 AromaticContact NE2-ND1 3.45Å; H15-H87 PolarHBondContact NE2-ND1 2.9Å; H15-H87 AromaticContact NE2-NE2 4Å; N16-H87 WeakPolarHBondContact CA-O 3.38Å; N16-H87 PolarHBondContact N-O 3.08Å; N16-H87 WeakPolarHBondContact OD1-CA 3.34Å; N16-H87 PolarHBondContact OD1-ND1 3.08Å; N16-H87 VanDerWaalsContact OD1-ND1 3.1Å; S85-H87 PolarHBondContact O-N 3.32Å
88H98.2Very high97.7Very high10 Ų1031.1 Ų31.15%0.04615%0.152CC..EExtended strand (participates in β ladder)trans-139.6134.4-175.7-5277.9000109.7R11 L14 V38 Y83 Q84 S85R11-H88 WeakPolarHBondContact CG-NE2 3.38Å; R11-H88 PolarHBondContact O-NE2 3.28Å; L14-H88 PolarHBondContact O-CD2 3.35Å; V38-H88 HydrophobicContact CG1-CB 4.42Å; Y83-H88 HydrophobicContact CE1-CB 4.13Å; Q84-H88 WeakPolarHBondContact CA-O 3.48Å; S85-H88 PolarHBondContact N-O 3.07Å; S85-H88 WeakPolarHBondContact OG-CB 3.43Å; S85-H88 PolarHBondContact OG-N 3Å; S85-H88 PolarHBondContact OG-ND1 3.36Å
89L98.7Very high97.8Very high23 Ų2331 Ų3112%0.1215%0.15CC..EExtended strand (participates in β ladder)trans-127.5117.3169.8-178.261.8000108.6K17 F18 V19 Q82 Q84 L114K17-L89 PolarHBondContact O-N 3.23Å; K17-L89 VanDerWaalsContact O-N 3.12Å; F18-L89 CarbonylContact C-O 3.58Å; F18-L89 WeakPolarHBondContact CA-O 3.25Å; F18-L89 HydrophobicContact CB-CB 4.38Å; F18-L89 HydrophobicContact CB-CD2 4.29Å; F18-L89 HydrophobicContact CD1-CD2 4.25Å; F18-L89 HydrophobicContact CD2-CB 3.94Å; F18-L89 HydrophobicContact CD2-CD2 3.48Å; F18-L89 VanDerWaalsContact CD2-CD2 3.48Å; F18-L89 HydrophobicContact CD2-CG 3.44Å; F18-L89 VanDerWaalsContact CD2-CG 3.44Å; F18-L89 HydrophobicContact CE2-CD2 3.8Å; F18-L89 HydrophobicContact CE2-CG 3.81Å; F18-L89 HydrophobicContact CG-CB 4.43Å; F18-L89 HydrophobicContact CG-CD2 3.75Å; F18-L89 HydrophobicContact CG-CG 4.14Å; F18-L89 HydrophobicContact CZ-CD2 4.33Å; V19-L89 PolarHBondContact N-O 3.15Å; Q82-L89 HydrophobicContact CG-CD1 3.6Å; Q84-L89 HydrophobicContact CB-CD1 4.04Å; Q84-L89 HydrophobicContact CG-CD1 4.15Å; L89-L114 HydrophobicContact CD2-CD2 3.76Å
90I98.9Very high97.8Very high3 Ų332.4 Ų32.42%0.01516%0.159CC..EExtended strand (participates in β ladder)trans-124.9123.2176.7-49.2172.9000107.1V19 I21 Y31 L34 V35 V38 Q82 Y83V19-I90 HydrophobicContact CB-CG2 4.37Å; V19-I90 CarbonylContact O-C 3.59Å; V19-I90 VanDerWaalsContact O-CA 3.31Å; V19-I90 WeakPolarHBondContact O-CA 3.31Å; I21-I90 HydrophobicContact CD1-CG2 4.34Å; Y31-I90 HydrophobicContact CD2-CG2 3.66Å; Y31-I90 HydrophobicContact CE2-CB 4.24Å; Y31-I90 HydrophobicContact CE2-CG2 3.78Å; L34-I90 HydrophobicContact CD2-CD1 4.05Å; L34-I90 HydrophobicContact CD2-CG2 4.15Å; L34-I90 HydrophobicContact CG-CD1 3.99Å; V35-I90 HydrophobicContact CG2-CD1 4.3Å; V38-I90 HydrophobicContact CG2-CD1 4.14Å; Q82-I90 WeakPolarHBondContact CA-O 3.33Å; Y83-I90 HydrophobicContact CD1-CD1 4.03Å; Y83-I90 HydrophobicContact CD1-CG1 4.26Å; Y83-I90 PolarHBondContact N-O 3.11Å; Y83-I90 PolarHBondContact O-N 3.04Å
91R98.9Very high97.8Very high48 Ų4843 Ų4318%0.18120%0.199CC..EExtended strand (participates in β ladder)trans-123.4136.6179.5-166.4178.9-66.2145.84.2111F18 V19 V20 I21 V80 R81 Q82 Y93F18-R91 HydrophobicContact CE2-CB 3.8Å; F18-R91 HydrophobicContact CZ-CB 4.35Å; V19-R91 PolarHBondContact O-N 2.9Å; V20-R91 CarbonylContact C-O 3.6Å; V20-R91 WeakPolarHBondContact CA-O 3.49Å; V20-R91 HydrophobicContact CG2-CB 4.49Å; I21-R91 PolarHBondContact N-O 2.85Å; V80-R91 HydrophobicContact CG1-CG 4.11Å; R81-R91 CarbonylContact O-C 3.58Å; R81-R91 VanDerWaalsContact O-CA 3.31Å; R81-R91 WeakPolarHBondContact O-CA 3.42Å; R81-R91 WeakPolarHBondContact O-CG 3.31Å; Q82-R91 VanDerWaalsContact OE1-CZ 3.25Å; R91-Y93 HydrophobicContact CB-CE2 4.36Å; R91-Y93 WeakPolarHBondContact CD-OH 3.26Å; R91-Y93 HydrophobicContact CG-CD2 4.27Å; R91-Y93 HydrophobicContact CG-CE2 3.69Å; R91-Y93 PolarHBondContact NH1-OH 2.91Å
92F98.8Very high97.7Very high0 Ų045.1 Ų45.10%021%0.207CC..EExtended strand (participates in β ladder)trans-114.2137.7174.3167.9-107.7000110.5I21 Q27 R28 Y31 E79 V80 R81 F94I21-F92 HydrophobicContact CB-CD2 4.3Å; I21-F92 HydrophobicContact CG2-CD2 4.07Å; I21-F92 CarbonylContact O-C 3.57Å; I21-F92 VanDerWaalsContact O-CA 3.29Å; I21-F92 WeakPolarHBondContact O-CA 3.18Å; I21-F92 WeakPolarHBondContact O-CD2 3.32Å; Q27-F92 HydrophobicContact CB-CE2 4.16Å; R28-F92 HydrophobicContact CB-CD1 4.43Å; R28-F92 HydrophobicContact CB-CE1 3.7Å; R28-F92 HydrophobicContact CB-CE2 4.08Å; R28-F92 HydrophobicContact CB-CZ 3.51Å; R28-F92 HydrophobicContact CG-CD1 4.28Å; R28-F92 HydrophobicContact CG-CE1 3.81Å; R28-F92 HydrophobicContact CG-CZ 4.17Å; Y31-F92 HydrophobicContact CD1-CB 3.9Å; Y31-F92 HydrophobicContact CD1-CG 4.39Å; Y31-F92 HydrophobicContact CD2-CB 3.45Å; Y31-F92 VanDerWaalsContact CD2-CB 3.45Å; Y31-F92 HydrophobicContact CE1-CB 4.35Å; Y31-F92 HydrophobicContact CE2-CB 3.92Å; Y31-F92 HydrophobicContact CG-CB 3.43Å; Y31-F92 VanDerWaalsContact CG-CB 3.43Å; Y31-F92 HydrophobicContact CG-CG 4.1Å; E79-F92 HydrophobicContact CG-CE1 4.49Å; V80-F92 CarbonylContact C-O 3.52Å; V80-F92 VanDerWaalsContact CA-O 3.26Å; V80-F92 WeakPolarHBondContact CA-O 3.29Å; R81-F92 HydrophobicContact CB-CB 4.37Å; R81-F92 HydrophobicContact CB-CD1 4.5Å; R81-F92 HydrophobicContact CG-CD1 4.24Å; R81-F92 PolarHBondContact N-O 3.46Å; R81-F92 PolarHBondContact O-N 3.44Å; F92-F94 HydrophobicContact CE1-CB 3.77Å; F92-F94 HydrophobicContact CE1-CD2 4.23Å; F92-F94 HydrophobicContact CZ-CB 3.75Å; F92-F94 AromaticContact CZ-CD2 3.85Å; F92-F94 HydrophobicContact CZ-CD2 3.85Å; F92-F94 HydrophobicContact CZ-CG 4.24Å
93Y98.7Very high97.6Very high8 Ų843.8 Ų43.83%0.03120%0.201CC..EExtended strand (participates in β ladder)trans-122.6122.2168.2-57.9-103.3000109.6V20 I21 L22 G23 V80 R91 V95 I106 F110V20-Y93 HydrophobicContact CG1-CD2 3.91Å; V20-Y93 HydrophobicContact CG1-CE2 3.91Å; I21-Y93 PolarHBondContact O-N 2.85Å; L22-Y93 HydrophobicContact CD2-CD2 3.43Å; L22-Y93 VanDerWaalsContact CD2-CD2 3.43Å; L22-Y93 HydrophobicContact CD2-CE2 4.36Å; L22-Y93 HydrophobicContact CD2-CG 3.78Å; G23-Y93 PolarHBondContact N-O 3.06Å; G23-Y93 VanDerWaalsContact N-O 3.14Å; V80-Y93 HydrophobicContact CB-CD1 4.39Å; V80-Y93 HydrophobicContact CG1-CD1 3.96Å; V80-Y93 HydrophobicContact CG1-CE1 3.84Å; V80-Y93 HydrophobicContact CG2-CD1 3.59Å; V80-Y93 HydrophobicContact CG2-CE1 3.98Å; V80-Y93 HydrophobicContact CG2-CG 4.47Å; R91-Y93 HydrophobicContact CB-CE2 4.36Å; R91-Y93 WeakPolarHBondContact CD-OH 3.26Å; R91-Y93 HydrophobicContact CG-CD2 4.27Å; R91-Y93 HydrophobicContact CG-CE2 3.69Å; R91-Y93 PolarHBondContact NH1-OH 2.91Å; Y93-V95 PolarHBondContact O-N 2.85Å; Y93-I106 HydrophobicContact CD1-CD1 3.59Å; Y93-I106 HydrophobicContact CD1-CG1 3.62Å; Y93-I106 HydrophobicContact CD1-CG2 4.32Å; Y93-I106 HydrophobicContact CD2-CG2 4.38Å; Y93-I106 HydrophobicContact CE1-CD1 4.32Å; Y93-I106 HydrophobicContact CE1-CG1 3.85Å; Y93-I106 HydrophobicContact CE1-CG2 4.22Å; Y93-I106 HydrophobicContact CE2-CG2 4.26Å; Y93-I106 HydrophobicContact CG-CD1 3.83Å; Y93-I106 HydrophobicContact CG-CG1 4.24Å; Y93-I106 HydrophobicContact CG-CG2 4.4Å; Y93-F110 HydrophobicContact CE2-CE1 4.47Å
94F98Very high97.6Very high9 Ų947.3 Ų47.34%0.03922%0.218CC..EExtended strand (participates in β ladder)trans-76.6118171.8-167.5-78.3000109.9G23 D24 Y77 E79 F92 T96 Y102G23-F94 CarbonylContact O-C 3.59Å; G23-F94 VanDerWaalsContact O-CA 3.26Å; G23-F94 WeakPolarHBondContact O-CA 3.36Å; D24-F94 VanDerWaalsContact C-CE2 3.5Å; D24-F94 HydrophobicContact CB-CZ 4.46Å; Y77-F94 AromaticContact CD1-CD1 3.57Å; Y77-F94 HydrophobicContact CD1-CD1 3.57Å; Y77-F94 HydrophobicContact CD1-CD2 4.4Å; Y77-F94 AromaticContact CD1-CE1 3.74Å; Y77-F94 HydrophobicContact CD1-CE1 3.74Å; Y77-F94 AromaticContact CD1-CG 3.93Å; Y77-F94 HydrophobicContact CD1-CG 3.93Å; Y77-F94 HydrophobicContact CD1-CZ 4.25Å; Y77-F94 HydrophobicContact CE1-CB 4.46Å; Y77-F94 HydrophobicContact CE1-CD1 4.14Å; Y77-F94 HydrophobicContact CE1-CD2 4.2Å; Y77-F94 HydrophobicContact CE1-CE1 4.45Å; Y77-F94 HydrophobicContact CE1-CG 4.01Å; E79-F94 HydrophobicContact CB-CB 3.78Å; E79-F94 PolarHBondContact O-N 3.07Å; F92-F94 HydrophobicContact CE1-CB 3.77Å; F92-F94 HydrophobicContact CE1-CD2 4.23Å; F92-F94 HydrophobicContact CZ-CB 3.75Å; F92-F94 AromaticContact CZ-CD2 3.85Å; F92-F94 HydrophobicContact CZ-CD2 3.85Å; F92-F94 HydrophobicContact CZ-CG 4.24Å; F94-T96 HydrophobicContact CD1-CG2 4.27Å; F94-T96 HydrophobicContact CE1-CG2 3.7Å; F94-Y102 WeakPolarHBondContact O-CE1 3.33Å
95V97.3Very high97.6Very high2 Ų243.9 Ų43.91%0.01221%0.208CC..  trans-122.3139.7176.6-59.80000110.7G23 Y93 Y102 M103 I106G23-V95 PolarHBondContact O-N 3.22Å; Y93-V95 PolarHBondContact O-N 2.85Å; V95-Y102 HydrophobicContact CG1-CD1 4.22Å; V95-Y102 HydrophobicContact CG1-CE1 4.06Å; V95-M103 HydrophobicContact CB-CE 4.34Å; V95-M103 HydrophobicContact CG1-CE 3.87Å; V95-M103 HydrophobicContact CG2-CE 4.19Å; V95-I106 HydrophobicContact CG1-CD1 4.02Å
96T95.8Very high97.6Very high12 Ų1242 Ų427%0.07420%0.195CC..SBendtrans-100.9-12.6175.449.60000111.7T75 F94 W126 Y131T75-T96 PolarHBondContact O-OG1 2.82Å; F94-T96 HydrophobicContact CD1-CG2 4.27Å; F94-T96 HydrophobicContact CE1-CG2 3.7Å; T96-W126 HydrophobicContact CG2-CD2 4.02Å; T96-W126 HydrophobicContact CG2-CE3 3.66Å; T96-W126 HydrophobicContact CG2-CH2 4.45Å; T96-W126 HydrophobicContact CG2-CZ3 3.93Å; T96-W126 WeakPolarHBondContact O-CB 3.41Å; T96-Y131 WeakPolarHBondContact CB-OH 3.42Å; T96-Y131 WeakPolarHBondContact O-CE2 3.33Å; T96-Y131 PolarHBondContact O-OH 2.86Å; T96-Y131 PolarHBondContact OG1-OH 3.06Å
97R96.9Very high97.7Very high66 Ų6634.8 Ų34.825%0.24916%0.156CC..SBendtrans-146.6133.5-178.5-162.5177.8-173.7171.54.8110.4F99 D127 Y131 N142R97-F99 WeakPolarHBondContact CD-O 3.46Å; R97-F99 PolarHBondContact O-N 3.35Å; R97-D127 WeakPolarHBondContact CA-OD1 3.47Å; R97-D127 VanDerWaalsContact CG-OD1 3.27Å; R97-D127 WeakPolarHBondContact CG-OD1 3.15Å; R97-Y131 HydrophobicContact CB-CE1 4.35Å; R97-Y131 HydrophobicContact CB-CE2 3.93Å; R97-Y131 HydrophobicContact CG-CD2 4.37Å; R97-Y131 HydrophobicContact CG-CE1 4.41Å; R97-Y131 HydrophobicContact CG-CE2 4.08Å; R97-N142 PolarHBondContact NH2-ND2 3.11Å
98I97.4Very high97.7Very high0 Ų034.6 Ų34.60%016%0.155CC..SBendtrans-64.1-29.3-175.5-16649.3000112.9M103 V121 S123 D127 Y139 N142 L143 F146 W162I98-M103 HydrophobicContact CD1-CE 4.49Å; I98-M103 WeakPolarHBondContact O-CG 3.47Å; I98-V121 HydrophobicContact CD1-CG1 3.88Å; I98-S123 PolarHBondContact N-OG 3.34Å; I98-D127 WeakPolarHBondContact CG2-OD1 3.37Å; I98-D127 PolarHBondContact N-OD1 2.93Å; I98-D127 PolarHBondContact N-OD2 3.28Å; I98-Y139 HydrophobicContact CG2-CD2 4.34Å; I98-Y139 HydrophobicContact CG2-CE2 4.31Å; I98-N142 HydrophobicContact CG2-CB 3.69Å; I98-L143 HydrophobicContact CG1-CD2 3.87Å; I98-L143 HydrophobicContact CG2-CD2 4.39Å; I98-L143 HydrophobicContact CG2-CG 4.4Å; I98-F146 HydrophobicContact CD1-CD1 3.63Å; I98-F146 HydrophobicContact CD1-CD2 4.2Å; I98-F146 HydrophobicContact CD1-CE1 3.73Å; I98-F146 HydrophobicContact CD1-CE2 4.28Å; I98-F146 HydrophobicContact CD1-CG 3.88Å; I98-F146 HydrophobicContact CD1-CZ 4.05Å; I98-F146 HydrophobicContact CG1-CB 4.13Å; I98-F146 HydrophobicContact CG1-CD1 3.86Å; I98-F146 HydrophobicContact CG1-CE1 4.46Å; I98-F146 HydrophobicContact CG1-CG 3.9Å; I98-F146 WeakPolarHBondContact O-CD2 3.32Å; I98-W162 HydrophobicContact CD1-CH2 4.21Å; I98-W162 HydrophobicContact CD1-CZ3 3.83Å; I98-W162 HydrophobicContact CG1-CH2 4.43Å; I98-W162 HydrophobicContact CG1-CZ3 4.44Å
99F97.7Very high97.6Very high21 Ų2138.3 Ų38.39%0.09218%0.176CC..SBendtrans-137.7118.5173.3-156-108.5000110.8R97 Q104 I107 N142 R145 F146 E149R97-F99 WeakPolarHBondContact CD-O 3.46Å; R97-F99 PolarHBondContact O-N 3.35Å; F99-Q104 HydrophobicContact CE1-CG 4.43Å; F99-Q104 HydrophobicContact CE2-CG 4.26Å; F99-Q104 HydrophobicContact CZ-CG 3.92Å; F99-I107 HydrophobicContact CE2-CD1 4.43Å; F99-N142 HydrophobicContact CB-CB 3.67Å; F99-R145 HydrophobicContact CD1-CB 3.97Å; F99-R145 HydrophobicContact CD2-CB 4.26Å; F99-R145 HydrophobicContact CE1-CB 3.89Å; F99-R145 HydrophobicContact CE1-CG 4.48Å; F99-R145 HydrophobicContact CE2-CB 4.19Å; F99-R145 HydrophobicContact CG-CB 4.15Å; F99-R145 HydrophobicContact CZ-CB 4.01Å; F99-F146 HydrophobicContact CD2-CB 3.97Å; F99-E149 HydrophobicContact CE2-CB 4.48Å; F99-E149 HydrophobicContact CE2-CG 3.97Å; F99-E149 HydrophobicContact CZ-CG 4.1Å
100S96.7Very high97.5Very high29 Ų2937.3 Ų37.320%0.20317%0.17CC..SBendtrans-155.1174.5-175.765.60000109.7Y102 M103 Q104S100-Y102 PolarHBondContact O-N 3Å; S100-Y102 PolarHBondContact OG-N 2.73Å; S100-M103 PolarHBondContact O-N 3.33Å; S100-M103 PolarHBondContact OG-N 3.18Å; S100-M103 VanDerWaalsContact OG-N 3.09Å; S100-Q104 WeakPolarHBondContact O-CG 3.41Å; S100-Q104 PolarHBondContact O-N 3.21Å; S100-Q104 PolarHBondContact O-NE2 3.06Å
101R97.1Very high97.4Very high226 Ų22641.2 Ų41.285%0.85319%0.185SC*.Hα-helixtrans-59.2-37171.9-69.7-175179.4177.7-0.3111.9Q104 S105R101-Q104 WeakPolarHBondContact O-CB 3.17Å; R101-Q104 PolarHBondContact O-N 3.44Å; R101-S105 PolarHBondContact O-N 3.44Å; R101-S105 VanDerWaalsContact O-N 3.1Å
102Y96.9Very high97.2Very high46 Ų4646 Ų4618%0.1821%0.209CC..Hα-helixtrans-68.2-40.8176.4-179.9-123.1000112.1T78 V80 F94 V95 S100 Q104 S105 I106T78-Y102 HydrophobicContact CG2-CD1 4.1Å; T78-Y102 HydrophobicContact CG2-CD2 4.16Å; T78-Y102 HydrophobicContact CG2-CE1 3.91Å; T78-Y102 HydrophobicContact CG2-CE2 3.98Å; T78-Y102 HydrophobicContact CG2-CG 4.21Å; V80-Y102 WeakPolarHBondContact CG2-OH 3.46Å; F94-Y102 WeakPolarHBondContact O-CE1 3.33Å; V95-Y102 HydrophobicContact CG1-CD1 4.22Å; V95-Y102 HydrophobicContact CG1-CE1 4.06Å; S100-Y102 PolarHBondContact O-N 3Å; S100-Y102 PolarHBondContact OG-N 2.73Å; Y102-Q104 VanDerWaalsContact C-N 3.29Å; Y102-Q104 PolarHBondContact O-N 3.23Å; Y102-S105 PolarHBondContact O-N 3.31Å; Y102-S105 PolarHBondContact O-OG 2.87Å; Y102-I106 HydrophobicContact CD1-CD1 4.15Å; Y102-I106 HydrophobicContact CE1-CD1 3.77Å; Y102-I106 HydrophobicContact CE2-CD1 4.41Å; Y102-I106 HydrophobicContact CE2-CG1 4.45Å; Y102-I106 WeakPolarHBondContact O-CG1 3.45Å; Y102-I106 PolarHBondContact O-N 3.4Å; Y102-I106 VanDerWaalsContact O-N 3.14Å
103M97.9Very high97Very high0 Ų048 Ų480%023%0.23CC..Hα-helixtrans-62.9-38.4173.2-176.360.378.500111.8L22 V95 I98 S100 S105 I106 I107 F146L22-M103 HydrophobicContact CD1-CE 4.29Å; L22-M103 HydrophobicContact CD1-SD 4.3Å; V95-M103 HydrophobicContact CB-CE 4.34Å; V95-M103 HydrophobicContact CG1-CE 3.87Å; V95-M103 HydrophobicContact CG2-CE 4.19Å; I98-M103 HydrophobicContact CD1-CE 4.49Å; I98-M103 WeakPolarHBondContact O-CG 3.47Å; S100-M103 PolarHBondContact O-N 3.33Å; S100-M103 PolarHBondContact OG-N 3.18Å; S100-M103 VanDerWaalsContact OG-N 3.09Å; M103-S105 VanDerWaalsContact C-N 3.33Å; M103-S105 PolarHBondContact O-N 2.89Å; M103-I106 WeakPolarHBondContact O-CB 3.3Å; M103-I106 PolarHBondContact O-N 3.44Å; M103-I106 VanDerWaalsContact O-N 3.17Å; M103-I106 HydrophobicContact SD-CB 4.39Å; M103-I106 HydrophobicContact SD-CD1 4.32Å; M103-I107 HydrophobicContact CG-CD1 4.06Å; M103-I107 HydrophobicContact CG-CG1 4.47Å; M103-I107 WeakPolarHBondContact O-CG1 3.42Å; M103-I107 PolarHBondContact O-N 3.22Å; M103-F146 HydrophobicContact CE-CD2 4.33Å; M103-F146 HydrophobicContact CE-CE2 3.88Å; M103-F146 HydrophobicContact CG-CD2 3.9Å; M103-F146 HydrophobicContact CG-CE2 4.07Å; M103-F146 HydrophobicContact SD-CD2 4.15Å; M103-F146 HydrophobicContact SD-CE2 3.68Å
104Q98Very high96.8Very high91 Ų9151.8 Ų51.843%0.42525%0.25SC..Hα-helixtrans-61.6-40.3176.3-72.8168.148.300111.9F99 S100 R101 Y102 I106 I107 E108F99-Q104 HydrophobicContact CE1-CG 4.43Å; F99-Q104 HydrophobicContact CE2-CG 4.26Å; F99-Q104 HydrophobicContact CZ-CG 3.92Å; S100-Q104 WeakPolarHBondContact O-CG 3.41Å; S100-Q104 PolarHBondContact O-N 3.21Å; S100-Q104 PolarHBondContact O-NE2 3.06Å; R101-Q104 WeakPolarHBondContact O-CB 3.17Å; R101-Q104 PolarHBondContact O-N 3.44Å; Y102-Q104 VanDerWaalsContact C-N 3.29Å; Y102-Q104 PolarHBondContact O-N 3.23Å; Q104-I106 VanDerWaalsContact C-N 3.32Å; Q104-I106 PolarHBondContact O-N 3.02Å; Q104-I107 PolarHBondContact O-N 3.14Å; Q104-E108 WeakPolarHBondContact O-CB 3.36Å; Q104-E108 PolarHBondContact O-N 3.04Å
105S97.5Very high96.7Very high54 Ų5454 Ų5438%0.37826%0.259SS..Hα-helixtrans-65.2-35.2174.860.80000112.6R101 Y102 M103 E108 D109R101-S105 PolarHBondContact O-N 3.44Å; R101-S105 VanDerWaalsContact O-N 3.1Å; Y102-S105 PolarHBondContact O-N 3.31Å; Y102-S105 PolarHBondContact O-OG 2.87Å; M103-S105 VanDerWaalsContact C-N 3.33Å; M103-S105 PolarHBondContact O-N 2.89Å; S105-E108 WeakPolarHBondContact O-CB 3.18Å; S105-E108 PolarHBondContact O-N 2.83Å; S105-D109 PolarHBondContact O-N 3.5Å
106I97.9Very high96.8Very high1 Ų153.9 Ų53.91%0.00526%0.259CS..Hα-helixtrans-64.3-44.1174.3-63.4168.4000111L22 Y93 V95 Y102 M103 Q104 E108 D109 F110L22-I106 HydrophobicContact CD2-CG2 4.19Å; Y93-I106 HydrophobicContact CD1-CD1 3.59Å; Y93-I106 HydrophobicContact CD1-CG1 3.62Å; Y93-I106 HydrophobicContact CD1-CG2 4.32Å; Y93-I106 HydrophobicContact CD2-CG2 4.38Å; Y93-I106 HydrophobicContact CE1-CD1 4.32Å; Y93-I106 HydrophobicContact CE1-CG1 3.85Å; Y93-I106 HydrophobicContact CE1-CG2 4.22Å; Y93-I106 HydrophobicContact CE2-CG2 4.26Å; Y93-I106 HydrophobicContact CG-CD1 3.83Å; Y93-I106 HydrophobicContact CG-CG1 4.24Å; Y93-I106 HydrophobicContact CG-CG2 4.4Å; V95-I106 HydrophobicContact CG1-CD1 4.02Å; Y102-I106 HydrophobicContact CD1-CD1 4.15Å; Y102-I106 HydrophobicContact CE1-CD1 3.77Å; Y102-I106 HydrophobicContact CE2-CD1 4.41Å; Y102-I106 HydrophobicContact CE2-CG1 4.45Å; Y102-I106 WeakPolarHBondContact O-CG1 3.45Å; Y102-I106 PolarHBondContact O-N 3.4Å; Y102-I106 VanDerWaalsContact O-N 3.14Å; M103-I106 WeakPolarHBondContact O-CB 3.3Å; M103-I106 PolarHBondContact O-N 3.44Å; M103-I106 VanDerWaalsContact O-N 3.17Å; M103-I106 HydrophobicContact SD-CB 4.39Å; M103-I106 HydrophobicContact SD-CD1 4.32Å; Q104-I106 VanDerWaalsContact C-N 3.32Å; Q104-I106 PolarHBondContact O-N 3.02Å; I106-E108 VanDerWaalsContact C-N 3.28Å; I106-E108 PolarHBondContact O-N 2.78Å; I106-D109 WeakPolarHBondContact O-CB 3.43Å; I106-D109 PolarHBondContact O-N 2.91Å; I106-F110 HydrophobicContact CG2-CE1 3.97Å; I106-F110 HydrophobicContact CG2-CE2 3.86Å; I106-F110 HydrophobicContact CG2-CZ 3.44Å; I106-F110 VanDerWaalsContact CG2-CZ 3.44Å; I106-F110 WeakPolarHBondContact O-CG 3.45Å; I106-F110 PolarHBondContact O-N 2.97Å; I106-F110 VanDerWaalsContact O-N 3.09Å
107I98Very high96.9Very high1 Ų154.5 Ų54.51%0.00526%0.262CS..Hα-helixtrans-65.1-36.4177.2-65.8171.3000110.5F99 M103 Q104 F110 R111 F146 E149 S153F99-I107 HydrophobicContact CE2-CD1 4.43Å; M103-I107 HydrophobicContact CG-CD1 4.06Å; M103-I107 HydrophobicContact CG-CG1 4.47Å; M103-I107 WeakPolarHBondContact O-CG1 3.42Å; M103-I107 PolarHBondContact O-N 3.22Å; Q104-I107 PolarHBondContact O-N 3.14Å; I107-F110 WeakPolarHBondContact O-CB 3.13Å; I107-F110 PolarHBondContact O-N 2.84Å; I107-F110 VanDerWaalsContact O-N 3.14Å; I107-R111 WeakPolarHBondContact O-CG 3.33Å; I107-R111 PolarHBondContact O-N 2.81Å; I107-F146 HydrophobicContact CD1-CD2 4.25Å; I107-F146 HydrophobicContact CD1-CE2 4.44Å; I107-E149 HydrophobicContact CD1-CB 3.88Å; I107-S153 WeakPolarHBondContact CG2-OG 3.35Å
108E97.5Very high97Very high76 Ų7651.3 Ų51.336%0.35525%0.25SC..Hα-helixtrans-64.7-40.3174.9-159.862.6-167.100112.3Q104 S105 I106 F110 R111 H112Q104-E108 WeakPolarHBondContact O-CB 3.36Å; Q104-E108 PolarHBondContact O-N 3.04Å; S105-E108 WeakPolarHBondContact O-CB 3.18Å; S105-E108 PolarHBondContact O-N 2.83Å; I106-E108 VanDerWaalsContact C-N 3.28Å; I106-E108 PolarHBondContact O-N 2.78Å; E108-F110 PolarHBondContact O-N 2.91Å; E108-R111 WeakPolarHBondContact O-CB 3.48Å; E108-R111 PolarHBondContact O-N 2.82Å; E108-R111 WeakPolarHBondContact OE2-CD 3.49Å; E108-R111 IonicContact OE2-CZ 3.51Å; E108-R111 IonicContact OE2-NE 2.67Å; E108-R111 IonicContact OE2-NH1 3.11Å; E108-R111 PolarHBondContact OE2-NH1 2.84Å; E108-H112 PolarHBondContact O-CD2 3.26Å; E108-H112 PolarHBondContact O-N 2.75Å; E108-H112 VanDerWaalsContact O-N 3.09Å; E108-H112 IonicContact OE1-CD2 3.15Å; E108-H112 PolarHBondContact OE1-CD2 2.84Å; E108-H112 IonicContact OE1-NE2 3.47Å; E108-H112 PolarHBondContact OE1-NE2 2.83Å
109D95.8Very high97.1Very high88 Ų8851.3 Ų51.347%0.47125%0.25SC..Hα-helixtrans-59.1-38.3171-72.3-16.3000111.1S105 I106 G113S105-D109 PolarHBondContact O-N 3.5Å; I106-D109 WeakPolarHBondContact O-CB 3.43Å; I106-D109 PolarHBondContact O-N 2.91Å; D109-G113 WeakPolarHBondContact O-CA 3.47Å; D109-G113 PolarHBondContact O-N 3.16Å
110F96.5Very high97.1Very high2 Ų250.4 Ų50.41%0.00925%0.246CC..Hα-helixtrans-66.3-38.2173.8-57.9-23.5000111.5V20 Y93 I106 I107 E108 H112 K115 P116 L150 L154V20-F110 HydrophobicContact CG1-CE1 4.33Å; V20-F110 HydrophobicContact CG1-CZ 3.9Å; V20-F110 HydrophobicContact CG2-CE1 4.15Å; V20-F110 HydrophobicContact CG2-CZ 4.43Å; Y93-F110 HydrophobicContact CE2-CE1 4.47Å; I106-F110 HydrophobicContact CG2-CE1 3.97Å; I106-F110 HydrophobicContact CG2-CE2 3.86Å; I106-F110 HydrophobicContact CG2-CZ 3.44Å; I106-F110 VanDerWaalsContact CG2-CZ 3.44Å; I106-F110 WeakPolarHBondContact O-CG 3.45Å; I106-F110 PolarHBondContact O-N 2.97Å; I106-F110 VanDerWaalsContact O-N 3.09Å; I107-F110 WeakPolarHBondContact O-CB 3.13Å; I107-F110 PolarHBondContact O-N 2.84Å; I107-F110 VanDerWaalsContact O-N 3.14Å; E108-F110 PolarHBondContact O-N 2.91Å; F110-H112 PolarHBondContact O-N 2.82Å; F110-K115 WeakPolarHBondContact O-CD 3.49Å; F110-K115 VanDerWaalsContact O-CE 3.31Å; F110-K115 WeakPolarHBondContact O-CE 3.1Å; F110-K115 PolarHBondContact O-NZ 3.01Å; F110-P116 HydrophobicContact CD1-CG 4.49Å; F110-L150 HydrophobicContact CD2-CD1 4.35Å; F110-L150 HydrophobicContact CE2-CD1 4.27Å; F110-L154 HydrophobicContact CB-CD2 3.87Å; F110-L154 HydrophobicContact CD2-CD2 4.03Å; F110-L154 HydrophobicContact CG-CD2 4.1Å
111R95.6Very high97.2Very high86 Ų8649.1 Ų49.133%0.32524%0.237SC..Hα-helixtrans-61.7-44.2179.2-72.6179-174.1136.31.1112.4I107 E108 K115 E149 S153I107-R111 WeakPolarHBondContact O-CG 3.33Å; I107-R111 PolarHBondContact O-N 2.81Å; E108-R111 WeakPolarHBondContact O-CB 3.48Å; E108-R111 PolarHBondContact O-N 2.82Å; E108-R111 WeakPolarHBondContact OE2-CD 3.49Å; E108-R111 IonicContact OE2-CZ 3.51Å; E108-R111 IonicContact OE2-NE 2.67Å; E108-R111 IonicContact OE2-NH1 3.11Å; E108-R111 PolarHBondContact OE2-NH1 2.84Å; R111-K115 VanDerWaalsContact CA-NZ 3.34Å; R111-K115 PolarHBondContact O-NZ 3.2Å; R111-E149 IonicContact CZ-OE2 2.68Å; R111-E149 IonicContact NH2-OE2 3.28Å; R111-E149 PolarHBondContact NH2-OE2 2.95Å; R111-S153 PolarHBondContact NE-OG 3.5Å; R111-S153 PolarHBondContact NH2-OG 3.01Å
112H95.3Very high97.3Very high149 Ų14938.5 Ų38.569%0.6920%0.197SC*.Hα-helixtrans-98.8-19.4-173.6-64.9-61.2000114.9E108 F110E108-H112 PolarHBondContact O-CD2 3.26Å; E108-H112 PolarHBondContact O-N 2.75Å; E108-H112 VanDerWaalsContact O-N 3.09Å; E108-H112 IonicContact OE1-CD2 3.15Å; E108-H112 PolarHBondContact OE1-CD2 2.84Å; E108-H112 IonicContact OE1-NE2 3.47Å; E108-H112 PolarHBondContact OE1-NE2 2.83Å; F110-H112 PolarHBondContact O-N 2.82Å
113G94.8Very high97.3Very high42 Ų4236.5 Ų36.543%0.43319%0.189SC..SBendtrans-99.9-163.9-176.200000114.1D109 K115D109-G113 WeakPolarHBondContact O-CA 3.47Å; D109-G113 PolarHBondContact O-N 3.16Å; G113-K115 PolarHBondContact O-N 3.48Å
114L94.7Very high97.2Very high86 Ų8636.5 Ų36.545%0.4519%0.19SC..PPolyproline II helixtrans-63.9131.7173.3-174.866.9000109.9F18 L89 Y380F18-L114 HydrophobicContact CB-CD2 4.16Å; F18-L114 HydrophobicContact CD1-CB 4.27Å; F18-L114 HydrophobicContact CD1-CD2 3.81Å; F18-L114 HydrophobicContact CD1-CG 3.88Å; F18-L114 HydrophobicContact CE1-CB 4.44Å; F18-L114 WeakPolarHBondContact CE1-O 3.31Å; F18-L114 HydrophobicContact CG-CD2 4.14Å; L89-L114 HydrophobicContact CD2-CD2 3.76Å; L114-Y380 HydrophobicContact CD1-CE2 4.2Å
115K96.6Very high97.1Very high55 Ų5532.3 Ų32.324%0.23917%0.17CC..PPolyproline II helixtrans-78.8129.1178.7-53.1-57.5179.6172.30109.6F110 R111 G113 P155F110-K115 WeakPolarHBondContact O-CD 3.49Å; F110-K115 VanDerWaalsContact O-CE 3.31Å; F110-K115 WeakPolarHBondContact O-CE 3.1Å; F110-K115 PolarHBondContact O-NZ 3.01Å; R111-K115 VanDerWaalsContact CA-NZ 3.34Å; R111-K115 PolarHBondContact O-NZ 3.2Å; G113-K115 PolarHBondContact O-N 3.48Å; K115-P155 HydrophobicContact CB-CG 3.96Å; K115-P155 HydrophobicContact CD-CG 4.38Å; K115-P155 HydrophobicContact CG-CG 3.83Å
116P98.3Very high97Very high1 Ų130.8 Ų30.81%0.00616%0.156CC..PPolyproline II helixtrans-66.1139.4172.826.1-32.7000111.2F18 V20 F110 V118 V119 L154 T158F18-P116 VanDerWaalsContact CD1-CA 3.45Å; F18-P116 HydrophobicContact CD1-CB 3.96Å; F18-P116 HydrophobicContact CE1-CB 4.11Å; F18-P116 HydrophobicContact CG-CB 4.37Å; F18-P116 CarbonylContact O-C 3.55Å; F18-P116 WeakPolarHBondContact O-CA 3.31Å; V20-P116 HydrophobicContact CB-CB 4.31Å; V20-P116 HydrophobicContact CG2-CB 3.78Å; V20-P116 HydrophobicContact CG2-CG 4.32Å; F110-P116 HydrophobicContact CD1-CG 4.49Å; P116-V118 VanDerWaalsContact C-N 3.35Å; P116-V119 HydrophobicContact CB-CG2 3.72Å; P116-V119 HydrophobicContact CG-CG2 3.33Å; P116-L154 HydrophobicContact CG-CD2 3.76Å; P116-T158 HydrophobicContact CG-CG2 4.4Å; P116-T158 WeakPolarHBondContact O-CB 3.4Å; P116-T158 WeakPolarHBondContact O-CG2 3.11Å; P116-T158 PolarHBondContact O-OG1 3.18Å
117D98.6Very high96.9Very high24 Ų2431.1 Ų31.113%0.12816%0.158CC..SBendtrans-73.1-34167.6-63.4-96.9000110.6K17 F18 L159 W251K17-D117 WeakPolarHBondContact CA-OD2 3.43Å; K17-D117 HydrophobicContact CB-CB 4.35Å; K17-D117 HydrophobicContact CD-CB 3.95Å; K17-D117 VanDerWaalsContact CD-CG 3.49Å; K17-D117 WeakPolarHBondContact CD-OD1 3.35Å; K17-D117 IonicContact NZ-OD1 3.4Å; K17-D117 PolarHBondContact NZ-OD1 3.03Å; F18-D117 PolarHBondContact N-OD2 2.85Å; F18-D117 PolarHBondContact O-N 3.36Å; D117-L159 PolarHBondContact O-N 3.42Å; D117-W251 HydrophobicContact CB-CZ2 4.29Å
118V98.8Very high96.8Very high0 Ų031 Ų310%016%0.158CC..EExtended strand (participates in β ladder)trans-135.6132.5-179.6-172.50000110.3F18 V19 V20 P116 I120 L159 I161 I247 W251F18-V118 PolarHBondContact O-N 3.12Å; V19-V118 HydrophobicContact CG1-CB 4.31Å; V19-V118 HydrophobicContact CG2-CB 4.3Å; V19-V118 HydrophobicContact CG2-CG2 4.48Å; V20-V118 PolarHBondContact N-O 2.94Å; P116-V118 VanDerWaalsContact C-N 3.35Å; V118-I120 HydrophobicContact CG1-CD1 4.27Å; V118-I120 HydrophobicContact CG1-CG1 3.97Å; V118-L159 CarbonylContact C-O 3.38Å; V118-L159 VanDerWaalsContact CA-O 3.3Å; V118-L159 WeakPolarHBondContact CA-O 3.48Å; V118-L159 HydrophobicContact CG2-CB 4.41Å; V118-I161 HydrophobicContact CG1-CD1 4Å; V118-I247 HydrophobicContact CG1-CD1 4.06Å; V118-I247 HydrophobicContact CG1-CG1 4.22Å; V118-I247 HydrophobicContact CG2-CD1 4.39Å; V118-I247 HydrophobicContact CG2-CG1 4.41Å; V118-I247 HydrophobicContact CG2-CG2 4.36Å; V118-W251 HydrophobicContact CG2-CH2 3.8Å; V118-W251 HydrophobicContact CG2-CZ2 3.53Å
119V98.8Very high96.6Very high0 Ų027.5 Ų27.50%014%0.141CC..EExtended strand (participates in β ladder)trans-122.3114.7171.4-174.10000109.4V20 L22 P116 V121 L154 T158 L159 I160 I161V20-V119 HydrophobicContact CB-CG2 4.46Å; V20-V119 CarbonylContact O-C 3.55Å; V20-V119 WeakPolarHBondContact O-CA 3.16Å; L22-V119 HydrophobicContact CD1-CG1 4.12Å; P116-V119 HydrophobicContact CB-CG2 3.72Å; P116-V119 HydrophobicContact CG-CG2 3.33Å; V119-V121 HydrophobicContact CG1-CG2 3.66Å; V119-L154 HydrophobicContact CG2-CD1 3.8Å; V119-T158 HydrophobicContact CG2-CG2 3.89Å; V119-L159 PolarHBondContact N-O 2.92Å; V119-I160 CarbonylContact O-C 3.58Å; V119-I160 WeakPolarHBondContact O-CA 3.29Å; V119-I161 PolarHBondContact O-N 2.88Å
120I98.9Very high96.4Very high2 Ų225.8 Ų25.81%0.0113%0.128CC..EExtended strand (participates in β ladder)trans-105.4126178.1-60.6156.2000108.1V19 V20 I21 L22 V118 I161 N163 L243V19-I120 HydrophobicContact CG1-CD1 4.05Å; V20-I120 PolarHBondContact O-N 2.97Å; I21-I120 CarbonylContact C-O 3.51Å; I21-I120 WeakPolarHBondContact CA-O 3.43Å; I21-I120 HydrophobicContact CG1-CB 4.25Å; I21-I120 HydrophobicContact CG1-CD1 4.05Å; L22-I120 PolarHBondContact N-O 3.36Å; V118-I120 HydrophobicContact CG1-CD1 4.27Å; V118-I120 HydrophobicContact CG1-CG1 3.97Å; I120-I161 WeakPolarHBondContact CA-O 3.45Å; I120-I161 HydrophobicContact CG1-CB 4.43Å; I120-I161 HydrophobicContact CG1-CD1 4.12Å; I120-N163 VanDerWaalsContact CG2-ND2 3.26Å; I120-N163 WeakPolarHBondContact CG2-ND2 3.2Å; I120-L243 HydrophobicContact CD1-CD1 4.11Å; I120-L243 HydrophobicContact CD1-CD2 4.17Å; I120-L243 HydrophobicContact CG1-CD2 4.12Å; I120-L243 HydrophobicContact CG2-CD1 4.29Å; I120-L243 HydrophobicContact CG2-CD2 4.01Å
121V98.7Very high96.1Very high1 Ų128.9 Ų28.91%0.00614%0.14CC..EExtended strand (participates in β ladder)trans-133.1134-172.7-167.10000111L22 I98 V119 F146 I161 W162 N163L22-V121 HydrophobicContact CB-CB 4.46Å; L22-V121 HydrophobicContact CB-CG1 4.05Å; L22-V121 HydrophobicContact CB-CG2 4.27Å; L22-V121 HydrophobicContact CD1-CG1 4.5Å; L22-V121 HydrophobicContact CD1-CG2 3.97Å; L22-V121 HydrophobicContact CG-CG2 4.39Å; L22-V121 WeakPolarHBondContact O-CA 3.45Å; I98-V121 HydrophobicContact CD1-CG1 3.88Å; V119-V121 HydrophobicContact CG1-CG2 3.66Å; V121-F146 HydrophobicContact CG1-CE1 3.98Å; V121-F146 HydrophobicContact CG1-CZ 3.89Å; V121-F146 HydrophobicContact CG2-CE1 4.43Å; V121-F146 HydrophobicContact CG2-CZ 4.1Å; V121-I161 PolarHBondContact N-O 3.4Å; V121-W162 HydrophobicContact CB-CE3 3.93Å; V121-W162 HydrophobicContact CB-CZ3 4.15Å; V121-W162 HydrophobicContact CG1-CE3 3.96Å; V121-W162 HydrophobicContact CG1-CZ3 3.65Å; V121-N163 PolarHBondContact O-N 3.39Å
122N98.3Very high95.7Very high4 Ų426.9 Ų26.92%0.02114%0.136CC..  trans-138.3132.9158.5-177.8-104.9000109.4L22 G23 Q27 N163 T165L22-N122 PolarHBondContact O-N 3.15Å; G23-N122 WeakPolarHBondContact CA-O 3.31Å; Q27-N122 HydrophobicContact CG-CB 3.71Å; N122-N163 HydrophobicContact CB-CB 4.02Å; N122-N163 PolarHBondContact ND2-O 2.86Å; N122-T165 PolarHBondContact ND2-N 2.84Å; N122-T165 PolarHBondContact ND2-OG1 2.71Å; N122-T165 PolarHBondContact OD1-OG1 3.01Å
123S96.5Very high95Very high3 Ų324.9 Ų24.92%0.02114%0.136CC..  trans-151120.8167.7-162.20000108.2I98 D127 Y139 W162I98-S123 PolarHBondContact N-OG 3.34Å; S123-D127 WeakPolarHBondContact CB-OD2 3.2Å; S123-D127 PolarHBondContact OG-OD2 2.97Å; S123-Y139 PolarHBondContact O-OH 2.9Å; S123-W162 WeakPolarHBondContact O-CH2 3.32Å
124C96.9Very high94.6Very high1 Ų130.8 Ų30.81%0.00715%0.15CC..  trans-155.5-66.4-177.1-1780000111.6W126 D127 I128 T165C124-W126 VanDerWaalsContact C-N 3.28Å; C124-W126 PolarHBondContact O-N 3.33Å; C124-W126 VanDerWaalsContact O-N 3.15Å; C124-D127 WeakPolarHBondContact O-CB 3.34Å; C124-D127 PolarHBondContact O-N 2.95Å; C124-I128 WeakPolarHBondContact O-CG1 3.41Å; C124-I128 PolarHBondContact O-N 3.28Å; C124-T165 HydrophobicContact CB-CG2 4.38Å; C124-T165 WeakPolarHBondContact CB-OG1 3.38Å
125V95.3Very high94.5Very high3 Ų327.5 Ų27.52%0.01813%0.132CC..Hα-helixtrans-54.1-44.2-170.9176.80000112S129 T165 L168 F176 L188 V192V125-S129 VanDerWaalsContact O-CB 3.24Å; V125-S129 WeakPolarHBondContact O-CB 3.42Å; V125-S129 PolarHBondContact O-N 3Å; V125-S129 PolarHBondContact O-OG 3.24Å; V125-T165 HydrophobicContact CG2-CG2 3.8Å; V125-L168 HydrophobicContact CG2-CD1 4.25Å; V125-L168 HydrophobicContact CG2-CD2 4.29Å; V125-F176 HydrophobicContact CG1-CD2 3.8Å; V125-F176 HydrophobicContact CG1-CE1 4.25Å; V125-F176 HydrophobicContact CG1-CE2 3.37Å; V125-F176 HydrophobicContact CG1-CG 4.38Å; V125-F176 HydrophobicContact CG1-CZ 3.61Å; V125-L188 HydrophobicContact CG1-CD2 4.18Å; V125-V192 HydrophobicContact CG2-CG2 4.35Å
126W95.4Very high94.5Very high21 Ų2126.7 Ų26.78%0.0813%0.131CC..Hα-helixtrans-67.9-47.1177-72.480.1000112.5T96 C124 I128 S129 R130 F176T96-W126 HydrophobicContact CG2-CD2 4.02Å; T96-W126 HydrophobicContact CG2-CE3 3.66Å; T96-W126 HydrophobicContact CG2-CH2 4.45Å; T96-W126 HydrophobicContact CG2-CZ3 3.93Å; T96-W126 WeakPolarHBondContact O-CB 3.41Å; C124-W126 VanDerWaalsContact C-N 3.28Å; C124-W126 PolarHBondContact O-N 3.33Å; C124-W126 VanDerWaalsContact O-N 3.15Å; W126-I128 VanDerWaalsContact C-N 3.33Å; W126-I128 PolarHBondContact O-N 3.06Å; W126-S129 PolarHBondContact O-N 3.48Å; W126-R130 HydrophobicContact CB-CG 4.45Å; W126-R130 HydrophobicContact CD2-CG 4.26Å; W126-R130 HydrophobicContact CE3-CG 3.59Å; W126-R130 HydrophobicContact CZ3-CG 4.14Å; W126-R130 WeakPolarHBondContact O-CB 3.22Å; W126-R130 PolarHBondContact O-N 3.47Å; W126-F176 HydrophobicContact CD2-CB 3.95Å; W126-F176 VanDerWaalsContact CE2-CB 3.48Å; W126-F176 HydrophobicContact CE3-CB 4.27Å; W126-F176 HydrophobicContact CH2-CB 3.65Å; W126-F176 HydrophobicContact CZ2-CB 3.33Å; W126-F176 HydrophobicContact CZ3-CB 4.12Å
127D95.9Very high94.3Very high8 Ų832.4 Ų32.44%0.04316%0.162CC..Iπ-helixtrans-55.9-46.2178.6-72.8-90.1000112.2R97 I98 S123 C124 Y139R97-D127 WeakPolarHBondContact CA-OD1 3.47Å; R97-D127 VanDerWaalsContact CG-OD1 3.27Å; R97-D127 WeakPolarHBondContact CG-OD1 3.15Å; I98-D127 WeakPolarHBondContact CG2-OD1 3.37Å; I98-D127 PolarHBondContact N-OD1 2.93Å; I98-D127 PolarHBondContact N-OD2 3.28Å; S123-D127 WeakPolarHBondContact CB-OD2 3.2Å; S123-D127 PolarHBondContact OG-OD2 2.97Å; C124-D127 WeakPolarHBondContact O-CB 3.34Å; C124-D127 PolarHBondContact O-N 2.95Å; D127-Y139 HydrophobicContact CB-CD2 3.44Å; D127-Y139 VanDerWaalsContact CB-CD2 3.44Å; D127-Y139 HydrophobicContact CB-CE2 3.71Å; D127-Y139 HydrophobicContact CB-CG 4.43Å
128I95.5Very high94.2Very high0 Ų034.2 Ų34.20%017%0.172CC..Iπ-helixtrans-82.9-13.1-173.473.7179.4000113.8C124 W126 W135 Y139 L188 D191 V192 A195C124-I128 WeakPolarHBondContact O-CG1 3.41Å; C124-I128 PolarHBondContact O-N 3.28Å; W126-I128 VanDerWaalsContact C-N 3.33Å; W126-I128 PolarHBondContact O-N 3.06Å; I128-W135 HydrophobicContact CB-CB 4.17Å; I128-W135 HydrophobicContact CB-CD2 3.62Å; I128-W135 HydrophobicContact CB-CE3 3.94Å; I128-W135 HydrophobicContact CB-CG 3.72Å; I128-W135 HydrophobicContact CG2-CD2 3.64Å; I128-W135 HydrophobicContact CG2-CE3 3.37Å; I128-W135 HydrophobicContact CG2-CG 4.16Å; I128-W135 HydrophobicContact CG2-CH2 4.39Å; I128-W135 HydrophobicContact CG2-CZ3 3.79Å; I128-Y139 HydrophobicContact CG2-CD1 4.22Å; I128-Y139 HydrophobicContact CG2-CD2 4.49Å; I128-Y139 HydrophobicContact CG2-CE1 4.44Å; I128-Y139 HydrophobicContact CG2-CG 4.22Å; I128-L188 HydrophobicContact CD1-CD1 3.68Å; I128-L188 HydrophobicContact CG1-CD1 3.63Å; I128-D191 HydrophobicContact CD1-CB 3.94Å; I128-V192 HydrophobicContact CD1-CG2 3.73Å; I128-A195 HydrophobicContact CD1-CB 4.47Å; I128-A195 HydrophobicContact CG2-CB 4.06Å
129S93Very high94.1Very high1 Ų134.4 Ų34.41%0.00717%0.172CC..Iπ-helixtrans-110.9-43.1-176.768.20000114.3V125 W126 K184V125-S129 VanDerWaalsContact O-CB 3.24Å; V125-S129 WeakPolarHBondContact O-CB 3.42Å; V125-S129 PolarHBondContact O-N 3Å; V125-S129 PolarHBondContact O-OG 3.24Å; W126-S129 PolarHBondContact O-N 3.48Å; S129-K184 PolarHBondContact O-NZ 2.88Å
130R91.8Very high94Very high52 Ų5237.2 Ų37.220%0.19618%0.184CC..Iπ-helixtrans-89.3-31-164.2-61.9-74.2-66.3135.3-13.8115.4T75 W126 F176 I181T75-R130 HydrophobicContact CG2-CB 4.29Å; W126-R130 HydrophobicContact CB-CG 4.45Å; W126-R130 HydrophobicContact CD2-CG 4.26Å; W126-R130 HydrophobicContact CE3-CG 3.59Å; W126-R130 HydrophobicContact CZ3-CG 4.14Å; W126-R130 WeakPolarHBondContact O-CB 3.22Å; W126-R130 PolarHBondContact O-N 3.47Å; R130-F176 WeakPolarHBondContact CD-O 3.5Å; R130-F176 PolarHBondContact NE-O 3.17Å; R130-I181 HydrophobicContact CG-CD1 4.37Å
131Y90.9Very high94Very high67 Ų6739.1 Ų39.126%0.26320%0.2SC..Iπ-helixtrans-97.4-47-164.1-67.5-85.7000113.6T75 T96 R97T75-Y131 WeakPolarHBondContact CB-OH 3.37Å; T75-Y131 HydrophobicContact CG2-CE1 3.83Å; T75-Y131 HydrophobicContact CG2-CE2 4.36Å; T96-Y131 WeakPolarHBondContact CB-OH 3.42Å; T96-Y131 WeakPolarHBondContact O-CE2 3.33Å; T96-Y131 PolarHBondContact O-OH 2.86Å; T96-Y131 PolarHBondContact OG1-OH 3.06Å; R97-Y131 HydrophobicContact CB-CE1 4.35Å; R97-Y131 HydrophobicContact CB-CE2 3.93Å; R97-Y131 HydrophobicContact CG-CD2 4.37Å; R97-Y131 HydrophobicContact CG-CE1 4.41Å; R97-Y131 HydrophobicContact CG-CE2 4.08Å
132N85.8Confident94Very high45 Ų4539.7 Ų39.724%0.24120%0.203CC..  trans-136.3133.7-176.2-166.3-31.3000109.8K134 D138 K184N132-K134 PolarHBondContact O-N 3.13Å; N132-K134 PolarHBondContact OD1-N 3.4Å; N132-D138 WeakPolarHBondContact CB-OD2 3.35Å; N132-D138 PolarHBondContact ND2-OD2 2.94Å; N132-K184 PolarHBondContact O-NZ 3.43Å; N132-K184 VanDerWaalsContact O-NZ 3.17Å
133P81.2Confident94Very high106 Ų10639.5 Ų39.569%0.68820%0.202SC*.SBendtrans-56.7-35.916822.7-33.4000112.9
134K86.7Confident94Very high167 Ų16744.6 Ų44.673%0.72622%0.224SC*.SBendtrans-10172.8173.2-63.9-176.4-178.8-178.20109.5N132 V136N132-K134 PolarHBondContact O-N 3.13Å; N132-K134 PolarHBondContact OD1-N 3.4Å; K134-V136 VanDerWaalsContact C-N 3.27Å; K134-V136 PolarHBondContact O-N 3.18Å
135W93.2Very high94.1Very high16 Ų1651.7 Ų51.76%0.06125%0.251CS..Hα-helixtrans-68.2-23.2-171.761.5-98.7000114.5I128 D137 D138 Y139 D191 E194 A195I128-W135 HydrophobicContact CB-CB 4.17Å; I128-W135 HydrophobicContact CB-CD2 3.62Å; I128-W135 HydrophobicContact CB-CE3 3.94Å; I128-W135 HydrophobicContact CB-CG 3.72Å; I128-W135 HydrophobicContact CG2-CD2 3.64Å; I128-W135 HydrophobicContact CG2-CE3 3.37Å; I128-W135 HydrophobicContact CG2-CG 4.16Å; I128-W135 HydrophobicContact CG2-CH2 4.39Å; I128-W135 HydrophobicContact CG2-CZ3 3.79Å; W135-D137 PolarHBondContact O-N 2.85Å; W135-D138 PolarHBondContact O-N 3.31Å; W135-Y139 HydrophobicContact CE3-CD1 4.05Å; W135-Y139 HydrophobicContact CE3-CG 4.27Å; W135-Y139 AromaticContact CZ3-CD1 3.82Å; W135-Y139 HydrophobicContact CZ3-CD1 3.82Å; W135-Y139 HydrophobicContact CZ3-CG 4.48Å; W135-Y139 WeakPolarHBondContact O-CB 3.33Å; W135-Y139 PolarHBondContact O-N 3.04Å; W135-D191 HydrophobicContact CZ2-CB 3.71Å; W135-D191 PolarHBondContact NE1-OD2 2.65Å; W135-D191 VanDerWaalsContact NE1-OD2 3.13Å; W135-E194 HydrophobicContact CH2-CB 4.23Å; W135-E194 HydrophobicContact CH2-CG 4.23Å; W135-A195 HydrophobicContact CH2-CB 3.86Å; W135-A195 HydrophobicContact CZ3-CB 3.92Å
136V95.2Very high94.3Very high38 Ų3851.6 Ų51.623%0.2325%0.25CC..Hα-helixtrans-55.2-57.4-167.9-179.70000112.2K134 D138 Y139 K140K134-V136 VanDerWaalsContact C-N 3.27Å; K134-V136 PolarHBondContact O-N 3.18Å; V136-D138 PolarHBondContact O-N 3.25Å; V136-Y139 PolarHBondContact O-N 2.84Å; V136-K140 HydrophobicContact CG1-CD 3.83Å; V136-K140 VanDerWaalsContact CG1-CE 3.5Å; V136-K140 HydrophobicContact CG1-CG 4.46Å; V136-K140 VanDerWaalsContact O-CB 3.29Å; V136-K140 WeakPolarHBondContact O-CB 3.31Å; V136-K140 WeakPolarHBondContact O-CG 3.42Å; V136-K140 PolarHBondContact O-N 3.34Å
137D95.4Very high94.4Very high122 Ų12250.6 Ų50.665%0.65225%0.246SC*.Hα-helixtrans-66.3-43.2-175.3-63.8-38.3000111.9W135 K140 A141W135-D137 PolarHBondContact O-N 2.85Å; D137-K140 PolarHBondContact O-N 3.08Å; D137-A141 VanDerWaalsContact O-CB 3.27Å; D137-A141 WeakPolarHBondContact O-CB 3.47Å; D137-A141 PolarHBondContact O-N 3.48Å
138D95.1Very high94.5Very high62 Ų6251.6 Ų51.633%0.33226%0.258SS..Hα-helixtrans-62.9-46.7178.9-81.5-5.2000111.7N132 W135 V136 A141 N142N132-D138 WeakPolarHBondContact CB-OD2 3.35Å; N132-D138 PolarHBondContact ND2-OD2 2.94Å; W135-D138 PolarHBondContact O-N 3.31Å; V136-D138 PolarHBondContact O-N 3.25Å; D138-A141 PolarHBondContact O-N 2.81Å; D138-N142 VanDerWaalsContact O-CB 3.26Å; D138-N142 WeakPolarHBondContact O-CB 3.29Å; D138-N142 PolarHBondContact O-N 3.22Å; D138-N142 PolarHBondContact O-ND2 3.45Å
139Y97.6Very high94.6Very high4 Ų454.9 Ų54.92%0.01627%0.273CS..Hα-helixtrans-65.5-44.8179.9-178-119.4000111I98 S123 D127 I128 W135 V136 A141 N142 L143 A195I98-Y139 HydrophobicContact CG2-CD2 4.34Å; I98-Y139 HydrophobicContact CG2-CE2 4.31Å; S123-Y139 PolarHBondContact O-OH 2.9Å; D127-Y139 HydrophobicContact CB-CD2 3.44Å; D127-Y139 VanDerWaalsContact CB-CD2 3.44Å; D127-Y139 HydrophobicContact CB-CE2 3.71Å; D127-Y139 HydrophobicContact CB-CG 4.43Å; I128-Y139 HydrophobicContact CG2-CD1 4.22Å; I128-Y139 HydrophobicContact CG2-CD2 4.49Å; I128-Y139 HydrophobicContact CG2-CE1 4.44Å; I128-Y139 HydrophobicContact CG2-CG 4.22Å; W135-Y139 HydrophobicContact CE3-CD1 4.05Å; W135-Y139 HydrophobicContact CE3-CG 4.27Å; W135-Y139 AromaticContact CZ3-CD1 3.82Å; W135-Y139 HydrophobicContact CZ3-CD1 3.82Å; W135-Y139 HydrophobicContact CZ3-CG 4.48Å; W135-Y139 WeakPolarHBondContact O-CB 3.33Å; W135-Y139 PolarHBondContact O-N 3.04Å; V136-Y139 PolarHBondContact O-N 2.84Å; Y139-A141 PolarHBondContact O-N 2.82Å; Y139-N142 PolarHBondContact O-N 2.87Å; Y139-L143 HydrophobicContact CD1-CD1 3.86Å; Y139-L143 HydrophobicContact CD2-CD1 4.4Å; Y139-L143 HydrophobicContact CD2-CG 4.38Å; Y139-L143 HydrophobicContact CE1-CD1 3.44Å; Y139-L143 VanDerWaalsContact CE1-CD1 3.44Å; Y139-L143 HydrophobicContact CE1-CG 4.35Å; Y139-L143 HydrophobicContact CE2-CD1 4.04Å; Y139-L143 HydrophobicContact CE2-CD2 4.41Å; Y139-L143 HydrophobicContact CE2-CG 4.07Å; Y139-L143 HydrophobicContact CG-CD1 4.34Å; Y139-L143 WeakPolarHBondContact O-CB 3.49Å; Y139-L143 WeakPolarHBondContact O-CG 3.31Å; Y139-L143 PolarHBondContact O-N 3.45Å; Y139-A195 HydrophobicContact CD1-CB 4.28Å; Y139-A195 HydrophobicContact CE1-CB 3.68Å
140K97.4Very high94.8Very high59 Ų5954.8 Ų54.826%0.25727%0.273SS..Hα-helixtrans-60.8-43.4176.8-71.6-177176.6168.60112.1V136 D137 K144 Y198V136-K140 HydrophobicContact CG1-CD 3.83Å; V136-K140 VanDerWaalsContact CG1-CE 3.5Å; V136-K140 HydrophobicContact CG1-CG 4.46Å; V136-K140 VanDerWaalsContact O-CB 3.29Å; V136-K140 WeakPolarHBondContact O-CB 3.31Å; V136-K140 WeakPolarHBondContact O-CG 3.42Å; V136-K140 PolarHBondContact O-N 3.34Å; D137-K140 PolarHBondContact O-N 3.08Å; K140-K144 WeakPolarHBondContact O-CG 3.22Å; K140-K144 PolarHBondContact O-N 2.69Å; K140-Y198 HydrophobicContact CB-CD1 4.45Å; K140-Y198 HydrophobicContact CB-CE1 3.74Å; K140-Y198 HydrophobicContact CB-CE2 4.23Å; K140-Y198 WeakPolarHBondContact CB-OH 3.35Å; K140-Y198 HydrophobicContact CD-CD1 4.48Å; K140-Y198 HydrophobicContact CD-CD2 3.83Å; K140-Y198 HydrophobicContact CD-CE1 4.34Å; K140-Y198 HydrophobicContact CD-CE2 3.62Å; K140-Y198 HydrophobicContact CD-CG 4.24Å; K140-Y198 VanDerWaalsContact CE-CD2 3.45Å; K140-Y198 HydrophobicContact CG-CD1 3.69Å; K140-Y198 HydrophobicContact CG-CD2 3.94Å; K140-Y198 HydrophobicContact CG-CE1 3.46Å; K140-Y198 VanDerWaalsContact CG-CE1 3.46Å; K140-Y198 HydrophobicContact CG-CE2 3.68Å; K140-Y198 HydrophobicContact CG-CG 3.92Å; K140-Y198 VanDerWaalsContact CG-CZ 3.42Å; K140-Y198 PolarHBondContact O-OH 2.97Å
141A97.8Very high94.9Very high41 Ų4155.9 Ų55.934%0.33928%0.279SS..Hα-helixtrans-67-42.2177.400000112.1D137 D138 Y139 K144 R145D137-A141 VanDerWaalsContact O-CB 3.27Å; D137-A141 WeakPolarHBondContact O-CB 3.47Å; D137-A141 PolarHBondContact O-N 3.48Å; D138-A141 PolarHBondContact O-N 2.81Å; Y139-A141 PolarHBondContact O-N 2.82Å; A141-K144 PolarHBondContact O-N 3.49Å; A141-R145 WeakPolarHBondContact O-CG 3.31Å; A141-R145 PolarHBondContact O-N 3Å; A141-R145 VanDerWaalsContact O-N 3.12Å
142N98.3Very high95.1Very high14 Ų1456.8 Ų56.88%0.07530%0.295CS..Hα-helixtrans-66.4-40.3178.6-73.8-32000112.1R97 I98 F99 D138 Y139 R145 F146R97-N142 PolarHBondContact NH2-ND2 3.11Å; I98-N142 HydrophobicContact CG2-CB 3.69Å; F99-N142 HydrophobicContact CB-CB 3.67Å; D138-N142 VanDerWaalsContact O-CB 3.26Å; D138-N142 WeakPolarHBondContact O-CB 3.29Å; D138-N142 PolarHBondContact O-N 3.22Å; D138-N142 PolarHBondContact O-ND2 3.45Å; Y139-N142 PolarHBondContact O-N 2.87Å; N142-R145 PolarHBondContact O-N 3.43Å; N142-F146 VanDerWaalsContact O-CB 3.32Å; N142-F146 WeakPolarHBondContact O-CB 3.45Å; N142-F146 PolarHBondContact O-N 3.35Å
143L98.3Very high95.6Very high0 Ų055.2 Ų55.20%029%0.288CS..Hα-helixtrans-61.2-46174.4-79.5171.1000112.3I98 Y139 R145 F146 F147 W162 Y198 L202I98-L143 HydrophobicContact CG1-CD2 3.87Å; I98-L143 HydrophobicContact CG2-CD2 4.39Å; I98-L143 HydrophobicContact CG2-CG 4.4Å; Y139-L143 HydrophobicContact CD1-CD1 3.86Å; Y139-L143 HydrophobicContact CD2-CD1 4.4Å; Y139-L143 HydrophobicContact CD2-CG 4.38Å; Y139-L143 HydrophobicContact CE1-CD1 3.44Å; Y139-L143 VanDerWaalsContact CE1-CD1 3.44Å; Y139-L143 HydrophobicContact CE1-CG 4.35Å; Y139-L143 HydrophobicContact CE2-CD1 4.04Å; Y139-L143 HydrophobicContact CE2-CD2 4.41Å; Y139-L143 HydrophobicContact CE2-CG 4.07Å; Y139-L143 HydrophobicContact CG-CD1 4.34Å; Y139-L143 WeakPolarHBondContact O-CB 3.49Å; Y139-L143 WeakPolarHBondContact O-CG 3.31Å; Y139-L143 PolarHBondContact O-N 3.45Å; L143-R145 VanDerWaalsContact C-N 3.32Å; L143-R145 PolarHBondContact O-N 3.35Å; L143-F146 PolarHBondContact O-N 3.04Å; L143-F147 HydrophobicContact CD2-CE1 4.4Å; L143-F147 HydrophobicContact CD2-CE2 4.26Å; L143-F147 HydrophobicContact CD2-CZ 3.89Å; L143-F147 WeakPolarHBondContact O-CG 3.36Å; L143-F147 PolarHBondContact O-N 3.34Å; L143-W162 HydrophobicContact CD2-CH2 3.74Å; L143-W162 HydrophobicContact CD2-CZ2 3.94Å; L143-W162 HydrophobicContact CD2-CZ3 4.35Å; L143-Y198 HydrophobicContact CB-CE1 4.47Å; L143-Y198 HydrophobicContact CD1-CD1 3.81Å; L143-Y198 HydrophobicContact CD1-CE1 3.89Å; L143-L202 HydrophobicContact CB-CD2 3.76Å
144K98.3Very high96.4Very high109 Ų10950.8 Ų50.847%0.47426%0.258SS..Hα-helixtrans-57.8-45177.1-74.3-179.6-176.9-173.80111.8K140 A141 G148 Y198 L202 Y206K140-K144 WeakPolarHBondContact O-CG 3.22Å; K140-K144 PolarHBondContact O-N 2.69Å; A141-K144 PolarHBondContact O-N 3.49Å; K144-G148 PolarHBondContact O-N 3.27Å; K144-G148 VanDerWaalsContact O-N 3.11Å; K144-Y198 WeakPolarHBondContact CE-OH 3.46Å; K144-L202 HydrophobicContact CB-CD2 4.43Å; K144-L202 HydrophobicContact CG-CD1 4.1Å; K144-L202 HydrophobicContact CG-CD2 3.67Å; K144-Y206 PolarHBondContact O-OH 2.97Å
145R98.4Very high96.8Very high150 Ų15045.1 Ų45.157%0.56624%0.239SC*.Hα-helixtrans-63.2-50.2176.4-70.1175.9-175.8-1781110.8F99 A141 N142 L143 F147 G148 E149F99-R145 HydrophobicContact CD1-CB 3.97Å; F99-R145 HydrophobicContact CD2-CB 4.26Å; F99-R145 HydrophobicContact CE1-CB 3.89Å; F99-R145 HydrophobicContact CE1-CG 4.48Å; F99-R145 HydrophobicContact CE2-CB 4.19Å; F99-R145 HydrophobicContact CG-CB 4.15Å; F99-R145 HydrophobicContact CZ-CB 4.01Å; A141-R145 WeakPolarHBondContact O-CG 3.31Å; A141-R145 PolarHBondContact O-N 3Å; A141-R145 VanDerWaalsContact O-N 3.12Å; N142-R145 PolarHBondContact O-N 3.43Å; L143-R145 VanDerWaalsContact C-N 3.32Å; L143-R145 PolarHBondContact O-N 3.35Å; R145-F147 PolarHBondContact O-N 2.89Å; R145-G148 PolarHBondContact O-N 3.01Å; R145-E149 WeakPolarHBondContact O-CB 3.41Å; R145-E149 WeakPolarHBondContact O-CG 3.29Å; R145-E149 PolarHBondContact O-N 2.63Å
146F98.4Very high96.8Very high1 Ų150.4 Ų50.40%0.00426%0.264CS..Hα-helixtrans-57-51.6-179.5174.3-105.5000112.4L22 I98 F99 M103 I107 V121 N142 L143 G148 E149 L150L22-F146 HydrophobicContact CD1-CZ 4.41Å; I98-F146 HydrophobicContact CD1-CD1 3.63Å; I98-F146 HydrophobicContact CD1-CD2 4.2Å; I98-F146 HydrophobicContact CD1-CE1 3.73Å; I98-F146 HydrophobicContact CD1-CE2 4.28Å; I98-F146 HydrophobicContact CD1-CG 3.88Å; I98-F146 HydrophobicContact CD1-CZ 4.05Å; I98-F146 HydrophobicContact CG1-CB 4.13Å; I98-F146 HydrophobicContact CG1-CD1 3.86Å; I98-F146 HydrophobicContact CG1-CE1 4.46Å; I98-F146 HydrophobicContact CG1-CG 3.9Å; I98-F146 WeakPolarHBondContact O-CD2 3.32Å; F99-F146 HydrophobicContact CD2-CB 3.97Å; M103-F146 HydrophobicContact CE-CD2 4.33Å; M103-F146 HydrophobicContact CE-CE2 3.88Å; M103-F146 HydrophobicContact CG-CD2 3.9Å; M103-F146 HydrophobicContact CG-CE2 4.07Å; M103-F146 HydrophobicContact SD-CD2 4.15Å; M103-F146 HydrophobicContact SD-CE2 3.68Å; I107-F146 HydrophobicContact CD1-CD2 4.25Å; I107-F146 HydrophobicContact CD1-CE2 4.44Å; V121-F146 HydrophobicContact CG1-CE1 3.98Å; V121-F146 HydrophobicContact CG1-CZ 3.89Å; V121-F146 HydrophobicContact CG2-CE1 4.43Å; V121-F146 HydrophobicContact CG2-CZ 4.1Å; N142-F146 VanDerWaalsContact O-CB 3.32Å; N142-F146 WeakPolarHBondContact O-CB 3.45Å; N142-F146 PolarHBondContact O-N 3.35Å; L143-F146 PolarHBondContact O-N 3.04Å; F146-G148 PolarHBondContact O-N 3.43Å; F146-E149 PolarHBondContact O-N 2.91Å; F146-L150 HydrophobicContact CE1-CD2 4.05Å; F146-L150 HydrophobicContact CZ-CD1 4.47Å; F146-L150 HydrophobicContact CZ-CD2 3.83Å; F146-L150 VanDerWaalsContact O-CB 3.31Å; F146-L150 WeakPolarHBondContact O-CB 3.2Å; F146-L150 PolarHBondContact O-N 3.48Å
147F98.3Very high96.7Very high1 Ų153.6 Ų53.60%0.00428%0.276CS..Hα-helixtrans-64.5-38.9179.9-64.5-26.1000112.7L143 R145 L150 K151 W162 L202 A203 Y206 I208L143-F147 HydrophobicContact CD2-CE1 4.4Å; L143-F147 HydrophobicContact CD2-CE2 4.26Å; L143-F147 HydrophobicContact CD2-CZ 3.89Å; L143-F147 WeakPolarHBondContact O-CG 3.36Å; L143-F147 PolarHBondContact O-N 3.34Å; R145-F147 PolarHBondContact O-N 2.89Å; F147-L150 PolarHBondContact O-N 3.44Å; F147-K151 WeakPolarHBondContact O-CB 3.48Å; F147-K151 WeakPolarHBondContact O-CG 3.36Å; F147-K151 PolarHBondContact O-N 3.31Å; F147-W162 HydrophobicContact CE1-CD2 4.2Å; F147-W162 AromaticContact CE1-CE3 3.9Å; F147-W162 HydrophobicContact CE1-CE3 3.9Å; F147-W162 HydrophobicContact CE1-CZ3 4.35Å; F147-W162 AromaticContact CZ-CD2 3.91Å; F147-W162 HydrophobicContact CZ-CD2 3.91Å; F147-W162 HydrophobicContact CZ-CE3 4.04Å; F147-W162 HydrophobicContact CZ-CG 4.19Å; F147-L202 HydrophobicContact CD2-CB 4.43Å; F147-L202 HydrophobicContact CD2-CD2 3.81Å; F147-L202 HydrophobicContact CD2-CG 3.85Å; F147-L202 HydrophobicContact CE2-CB 4.11Å; F147-L202 HydrophobicContact CE2-CD2 3.96Å; F147-L202 HydrophobicContact CE2-CG 4.02Å; F147-A203 HydrophobicContact CE2-CB 3.95Å; F147-A203 HydrophobicContact CZ-CB 3.97Å; F147-Y206 HydrophobicContact CB-CD1 3.71Å; F147-Y206 HydrophobicContact CB-CD2 4.08Å; F147-Y206 HydrophobicContact CB-CE1 4.01Å; F147-Y206 HydrophobicContact CB-CE2 4.35Å; F147-Y206 HydrophobicContact CB-CG 3.73Å; F147-Y206 HydrophobicContact CD2-CD2 4.22Å; F147-Y206 HydrophobicContact CD2-CG 4.48Å; F147-I208 HydrophobicContact CB-CD1 3.94Å; F147-I208 HydrophobicContact CD1-CD1 3.57Å; F147-I208 HydrophobicContact CE1-CD1 4.18Å; F147-I208 HydrophobicContact CG-CD1 3.78Å
148G97.9Very high96.8Very high28 Ų2848.1 Ų48.129%0.28925%0.247SC..Hα-helixtrans-62.1-47.1174.400000113K144 R145 F146 L150 S152K144-G148 PolarHBondContact O-N 3.27Å; K144-G148 VanDerWaalsContact O-N 3.11Å; R145-G148 PolarHBondContact O-N 3.01Å; F146-G148 PolarHBondContact O-N 3.43Å; G148-L150 VanDerWaalsContact C-N 3.34Å; G148-L150 PolarHBondContact O-N 3.47Å; G148-S152 WeakPolarHBondContact O-CB 3.49Å; G148-S152 PolarHBondContact O-N 2.9Å; G148-S152 PolarHBondContact O-OG 2.9Å
149E97.9Very high96.9Very high69 Ų6945.1 Ų45.132%0.32223%0.231SC..Hα-helixtrans-65.3-36.8177.9-68.1-74140.500112F99 I107 R111 R145 F146 S152 S153F99-E149 HydrophobicContact CE2-CB 4.48Å; F99-E149 HydrophobicContact CE2-CG 3.97Å; F99-E149 HydrophobicContact CZ-CG 4.1Å; I107-E149 HydrophobicContact CD1-CB 3.88Å; R111-E149 IonicContact CZ-OE2 2.68Å; R111-E149 IonicContact NH2-OE2 3.28Å; R111-E149 PolarHBondContact NH2-OE2 2.95Å; R145-E149 WeakPolarHBondContact O-CB 3.41Å; R145-E149 WeakPolarHBondContact O-CG 3.29Å; R145-E149 PolarHBondContact O-N 2.63Å; F146-E149 PolarHBondContact O-N 2.91Å; E149-S152 WeakPolarHBondContact CA-OG 3.44Å; E149-S152 PolarHBondContact O-N 3.43Å; E149-S152 PolarHBondContact O-OG 3.09Å; E149-S153 WeakPolarHBondContact O-CB 3.48Å; E149-S153 PolarHBondContact O-N 2.84Å; E149-S153 PolarHBondContact O-OG 3.33Å
150L96.1Very high97Very high0 Ų045.4 Ų45.40%023%0.233CC..Hα-helixtrans-69-45.4179.5-161.567.5000111.2F110 F146 F147 G148 S152 S153 L154 I160F110-L150 HydrophobicContact CD2-CD1 4.35Å; F110-L150 HydrophobicContact CE2-CD1 4.27Å; F146-L150 HydrophobicContact CE1-CD2 4.05Å; F146-L150 HydrophobicContact CZ-CD1 4.47Å; F146-L150 HydrophobicContact CZ-CD2 3.83Å; F146-L150 VanDerWaalsContact O-CB 3.31Å; F146-L150 WeakPolarHBondContact O-CB 3.2Å; F146-L150 PolarHBondContact O-N 3.48Å; F147-L150 PolarHBondContact O-N 3.44Å; G148-L150 VanDerWaalsContact C-N 3.34Å; G148-L150 PolarHBondContact O-N 3.47Å; L150-S152 VanDerWaalsContact C-N 3.31Å; L150-S152 PolarHBondContact O-N 3.48Å; L150-S153 PolarHBondContact O-N 2.68Å; L150-L154 HydrophobicContact CD1-CD1 3.49Å; L150-L154 VanDerWaalsContact CD1-CD1 3.49Å; L150-L154 HydrophobicContact CD1-CG 4.19Å; L150-L154 HydrophobicContact CD2-CD1 4.49Å; L150-L154 HydrophobicContact CG-CD1 3.68Å; L150-L154 HydrophobicContact CG-CG 4.5Å; L150-L154 WeakPolarHBondContact O-CB 3.47Å; L150-L154 PolarHBondContact O-N 3.31Å; L150-L154 VanDerWaalsContact O-N 3.09Å; L150-I160 HydrophobicContact CD2-CD1 3.83Å; L150-I160 HydrophobicContact CD2-CG1 4.19Å; L150-I160 HydrophobicContact CD2-CG2 3.54Å; L150-I160 HydrophobicContact CG-CD1 3.93Å
151K95Very high97Very high75 Ų7542.6 Ų42.633%0.32622%0.221SC..Hα-helixtrans-65.5-30.7175.9-74-74.1-67.1-153.90113F147 I160 Y206 E207F147-K151 WeakPolarHBondContact O-CB 3.48Å; F147-K151 WeakPolarHBondContact O-CG 3.36Å; F147-K151 PolarHBondContact O-N 3.31Å; K151-I160 HydrophobicContact CD-CD1 4.39Å; K151-Y206 WeakPolarHBondContact CE-O 3.48Å; K151-Y206 HydrophobicContact CG-CD1 4.33Å; K151-Y206 PolarHBondContact NZ-O 3.06Å; K151-E207 IonicContact NZ-OE2 3.5Å; K151-E207 PolarHBondContact NZ-OE2 3.14Å
152S95.8Very high97.1Very high86 Ų8640.8 Ų40.860%0.60121%0.205SC*.Hα-helixtrans-80.5-24.4177.169.10000113.4G148 E149 L150G148-S152 WeakPolarHBondContact O-CB 3.49Å; G148-S152 PolarHBondContact O-N 2.9Å; G148-S152 PolarHBondContact O-OG 2.9Å; E149-S152 WeakPolarHBondContact CA-OG 3.44Å; E149-S152 PolarHBondContact O-N 3.43Å; E149-S152 PolarHBondContact O-OG 3.09Å; L150-S152 VanDerWaalsContact C-N 3.31Å; L150-S152 PolarHBondContact O-N 3.48Å
153S96Very high97.1Very high11 Ų1140.1 Ų40.18%0.07720%0.202CC..Hα-helixtrans-100.2-22.1-171.3-53.70000114.2I107 R111 E149 L150I107-S153 WeakPolarHBondContact CG2-OG 3.35Å; R111-S153 PolarHBondContact NE-OG 3.5Å; R111-S153 PolarHBondContact NH2-OG 3.01Å; E149-S153 WeakPolarHBondContact O-CB 3.48Å; E149-S153 PolarHBondContact O-N 2.84Å; E149-S153 PolarHBondContact O-OG 3.33Å; L150-S153 PolarHBondContact O-N 2.68Å
154L96.7Very high97.1Very high14 Ų1440.7 Ų40.77%0.07320%0.204CC..SBendtrans-103.6148.8-179.3-64.9177.5000111.8F110 P116 V119 L150 T158 I160F110-L154 HydrophobicContact CB-CD2 3.87Å; F110-L154 HydrophobicContact CD2-CD2 4.03Å; F110-L154 HydrophobicContact CG-CD2 4.1Å; P116-L154 HydrophobicContact CG-CD2 3.76Å; V119-L154 HydrophobicContact CG2-CD1 3.8Å; L150-L154 HydrophobicContact CD1-CD1 3.49Å; L150-L154 VanDerWaalsContact CD1-CD1 3.49Å; L150-L154 HydrophobicContact CD1-CG 4.19Å; L150-L154 HydrophobicContact CD2-CD1 4.49Å; L150-L154 HydrophobicContact CG-CD1 3.68Å; L150-L154 HydrophobicContact CG-CG 4.5Å; L150-L154 WeakPolarHBondContact O-CB 3.47Å; L150-L154 PolarHBondContact O-N 3.31Å; L150-L154 VanDerWaalsContact O-N 3.09Å; L154-T158 HydrophobicContact CB-CG2 4.46Å; L154-T158 HydrophobicContact CD1-CG2 3.88Å; L154-I160 HydrophobicContact CD1-CD1 4.16Å; L154-I160 HydrophobicContact CD1-CG1 4.26Å
155P95.6Very high97.1Very high48 Ų4835.9 Ų35.931%0.31218%0.184SC..  trans-56.3153.3169.3-2131.6000112.3K115 E157 T158K115-P155 HydrophobicContact CB-CG 3.96Å; K115-P155 HydrophobicContact CD-CG 4.38Å; K115-P155 HydrophobicContact CG-CG 3.83Å; P155-E157 WeakPolarHBondContact CB-OE2 3.41Å; P155-E157 PolarHBondContact O-N 3.5Å; P155-T158 WeakPolarHBondContact O-CB 3.45Å; P155-T158 PolarHBondContact O-N 2.93Å; P155-T158 VanDerWaalsContact O-N 3.14Å
156E92.6Very high97.1Very high127 Ų12729.1 Ų29.159%0.59316%0.159SC*.THydrogen-bonded Turntrans-62.1-28.8178-174.8170.8-167.900111.7T158 R371 R374E156-T158 VanDerWaalsContact C-N 3.3Å; E156-T158 PolarHBondContact O-N 3.39Å; E156-R371 IonicContact OE1-CZ 3.53Å; E156-R371 IonicContact OE1-NH1 2.78Å; E156-R371 PolarHBondContact OE1-NH1 3.46Å; E156-R371 IonicContact OE1-NH2 3.4Å; E156-R371 PolarHBondContact OE1-NH2 3.32Å; E156-R374 PolarHBondContact O-NH1 2.85Å
157E93.2Very high97Very high104 Ų10429.6 Ų29.649%0.48616%0.162SC..THydrogen-bonded Turntrans-68.5-27.7179.2-59.677.9-171.200112.6P155 L159 R374P155-E157 WeakPolarHBondContact CB-OE2 3.41Å; P155-E157 PolarHBondContact O-N 3.5Å; E157-L159 PolarHBondContact O-N 3.39Å; E157-R374 PolarHBondContact O-NH1 3.1Å; E157-R374 VanDerWaalsContact O-NH1 3.08Å
158T97.9Very high96.9Very high7 Ų730.2 Ų30.24%0.04317%0.166CC..SBendtrans-60.5122.8-177.9-64.20000110.7P116 V119 L154 P155 E156 I160 R374P116-T158 HydrophobicContact CG-CG2 4.4Å; P116-T158 WeakPolarHBondContact O-CB 3.4Å; P116-T158 WeakPolarHBondContact O-CG2 3.11Å; P116-T158 PolarHBondContact O-OG1 3.18Å; V119-T158 HydrophobicContact CG2-CG2 3.89Å; L154-T158 HydrophobicContact CB-CG2 4.46Å; L154-T158 HydrophobicContact CD1-CG2 3.88Å; P155-T158 WeakPolarHBondContact O-CB 3.45Å; P155-T158 PolarHBondContact O-N 2.93Å; P155-T158 VanDerWaalsContact O-N 3.14Å; E156-T158 VanDerWaalsContact C-N 3.3Å; E156-T158 PolarHBondContact O-N 3.39Å; T158-I160 HydrophobicContact CG2-CG1 4.25Å; T158-I160 PolarHBondContact O-N 3.31Å; T158-R374 PolarHBondContact O-NH1 2.89Å
159L98.1Very high96.8Very high0 Ų029 Ų290%015%0.153CC..EExtended strand (participates in β ladder)trans-79.3110.8176.617961.1000109.6D117 V118 V119 E157 I161 I247 A250D117-L159 PolarHBondContact O-N 3.42Å; V118-L159 CarbonylContact C-O 3.38Å; V118-L159 VanDerWaalsContact CA-O 3.3Å; V118-L159 WeakPolarHBondContact CA-O 3.48Å; V118-L159 HydrophobicContact CG2-CB 4.41Å; V119-L159 PolarHBondContact N-O 2.92Å; E157-L159 PolarHBondContact O-N 3.39Å; L159-I161 HydrophobicContact CD1-CG1 4.4Å; L159-I161 HydrophobicContact CD2-CD1 4.04Å; L159-I161 HydrophobicContact CD2-CG1 4.36Å; L159-I161 HydrophobicContact CG-CD1 4.17Å; L159-I161 HydrophobicContact CG-CG1 3.98Å; L159-I247 HydrophobicContact CD2-CB 4.29Å; L159-I247 HydrophobicContact CD2-CG1 3.9Å; L159-A250 HydrophobicContact CD1-CB 4Å; L159-A250 HydrophobicContact CD2-CB 3.72Å; L159-A250 HydrophobicContact CG-CB 4.5Å
160I98.5Very high96.4Very high10 Ų1032.4 Ų32.45%0.05117%0.169CC..EExtended strand (participates in β ladder)trans-101.9124.8176.7-53.7165.9000108.1V119 L150 K151 L154 T158 I208 D209V119-I160 CarbonylContact O-C 3.58Å; V119-I160 WeakPolarHBondContact O-CA 3.29Å; L150-I160 HydrophobicContact CD2-CD1 3.83Å; L150-I160 HydrophobicContact CD2-CG1 4.19Å; L150-I160 HydrophobicContact CD2-CG2 3.54Å; L150-I160 HydrophobicContact CG-CD1 3.93Å; K151-I160 HydrophobicContact CD-CD1 4.39Å; L154-I160 HydrophobicContact CD1-CD1 4.16Å; L154-I160 HydrophobicContact CD1-CG1 4.26Å; T158-I160 HydrophobicContact CG2-CG1 4.25Å; T158-I160 PolarHBondContact O-N 3.31Å; I160-I208 HydrophobicContact CB-CG1 4.37Å; I160-I208 HydrophobicContact CB-CG2 4.1Å; I160-I208 HydrophobicContact CG2-CD1 4.27Å; I160-I208 HydrophobicContact CG2-CG1 4.23Å; I160-I208 HydrophobicContact CG2-CG2 3.65Å; I160-D209 PolarHBondContact O-N 2.93Å; I160-D209 VanDerWaalsContact O-N 3.16Å
161I98.6Very high96.2Very high0 Ų042.4 Ų42.40%021%0.207CC..EExtended strand (participates in β ladder)trans-120113.2-179.1-53.4164.5000108.7V118 V119 I120 V121 L159 D209 L211 L243 I247V118-I161 HydrophobicContact CG1-CD1 4Å; V119-I161 PolarHBondContact O-N 2.88Å; I120-I161 WeakPolarHBondContact CA-O 3.45Å; I120-I161 HydrophobicContact CG1-CB 4.43Å; I120-I161 HydrophobicContact CG1-CD1 4.12Å; V121-I161 PolarHBondContact N-O 3.4Å; L159-I161 HydrophobicContact CD1-CG1 4.4Å; L159-I161 HydrophobicContact CD2-CD1 4.04Å; L159-I161 HydrophobicContact CD2-CG1 4.36Å; L159-I161 HydrophobicContact CG-CD1 4.17Å; L159-I161 HydrophobicContact CG-CG1 3.98Å; I161-D209 CarbonylContact C-O 3.53Å; I161-D209 WeakPolarHBondContact CA-O 3.48Å; I161-L211 HydrophobicContact CG2-CB 4.02Å; I161-L243 HydrophobicContact CD1-CD2 4.17Å; I161-L243 HydrophobicContact CG2-CD2 4.07Å; I161-I247 HydrophobicContact CD1-CG1 3.96Å
162W98.7Very high96Very high3 Ų339.4 Ų39.41%0.01119%0.194CC..EExtended strand (participates in β ladder)trans-88.6108.2171.1179.9-111.3000110I98 V121 S123 L143 F147 L164 A203 I208 D209 V210 L211I98-W162 HydrophobicContact CD1-CH2 4.21Å; I98-W162 HydrophobicContact CD1-CZ3 3.83Å; I98-W162 HydrophobicContact CG1-CH2 4.43Å; I98-W162 HydrophobicContact CG1-CZ3 4.44Å; V121-W162 HydrophobicContact CB-CE3 3.93Å; V121-W162 HydrophobicContact CB-CZ3 4.15Å; V121-W162 HydrophobicContact CG1-CE3 3.96Å; V121-W162 HydrophobicContact CG1-CZ3 3.65Å; S123-W162 WeakPolarHBondContact O-CH2 3.32Å; L143-W162 HydrophobicContact CD2-CH2 3.74Å; L143-W162 HydrophobicContact CD2-CZ2 3.94Å; L143-W162 HydrophobicContact CD2-CZ3 4.35Å; F147-W162 HydrophobicContact CE1-CD2 4.2Å; F147-W162 AromaticContact CE1-CE3 3.9Å; F147-W162 HydrophobicContact CE1-CE3 3.9Å; F147-W162 HydrophobicContact CE1-CZ3 4.35Å; F147-W162 AromaticContact CZ-CD2 3.91Å; F147-W162 HydrophobicContact CZ-CD2 3.91Å; F147-W162 HydrophobicContact CZ-CE3 4.04Å; F147-W162 HydrophobicContact CZ-CG 4.19Å; W162-L164 VanDerWaalsContact CD1-CD2 3.49Å; W162-L164 VanDerWaalsContact NE1-CD2 3.3Å; W162-A203 HydrophobicContact CB-CB 3.96Å; W162-A203 HydrophobicContact CG-CB 4.06Å; W162-I208 HydrophobicContact CB-CG2 3.92Å; W162-D209 PolarHBondContact N-O 3.09Å; W162-V210 WeakPolarHBondContact O-CA 3.43Å; W162-L211 PolarHBondContact O-N 2.9Å
163N98.6Very high95.6Very high0 Ų042 Ų420%020%0.195CC..EExtended strand (participates in β ladder)trans-79.8129.9173.4-73.7-13.8000109Q27 I120 V121 N122 L211 L213Q27-N163 PolarHBondContact OE1-ND2 3.49Å; I120-N163 VanDerWaalsContact CG2-ND2 3.26Å; I120-N163 WeakPolarHBondContact CG2-ND2 3.2Å; V121-N163 PolarHBondContact O-N 3.39Å; N122-N163 HydrophobicContact CB-CB 4.02Å; N122-N163 PolarHBondContact ND2-O 2.86Å; N163-L211 WeakPolarHBondContact CA-O 3.47Å; N163-L211 WeakPolarHBondContact OD1-CB 3.19Å; N163-L213 HydrophobicContact CB-CD1 3.91Å; N163-L213 HydrophobicContact CB-CG 4.39Å
164L98.4Very high94.9Very high11 Ų1142 Ų426%0.05820%0.197CC..PPolyproline II helixtrans-77.4149166.7-56.1-168.6000110.3W162 N196 V210 L211 D212 L213W162-L164 VanDerWaalsContact CD1-CD2 3.49Å; W162-L164 VanDerWaalsContact NE1-CD2 3.3Å; L164-N196 HydrophobicContact CB-CB 4.31Å; L164-N196 HydrophobicContact CD1-CB 4.22Å; L164-N196 HydrophobicContact CD2-CB 4.47Å; L164-V210 HydrophobicContact CD1-CG1 4.06Å; L164-V210 HydrophobicContact CD2-CG1 3.95Å; L164-V210 HydrophobicContact CG-CG1 3.81Å; L164-L211 PolarHBondContact N-O 2.78Å; L164-D212 HydrophobicContact CD1-CB 3.97Å; L164-D212 HydrophobicContact CG-CB 4.43Å; L164-L213 VanDerWaalsContact O-CB 3.29Å; L164-L213 WeakPolarHBondContact O-CB 3.21Å
165T98.4Very high94.1Very high9 Ų942.3 Ų42.36%0.05520%0.203CC..PPolyproline II helixtrans-73134.8-176.5-67.10000111.6N122 C124 V125 V192 N196 H214N122-T165 PolarHBondContact ND2-N 2.84Å; N122-T165 PolarHBondContact ND2-OG1 2.71Å; N122-T165 PolarHBondContact OD1-OG1 3.01Å; C124-T165 HydrophobicContact CB-CG2 4.38Å; C124-T165 WeakPolarHBondContact CB-OG1 3.38Å; V125-T165 HydrophobicContact CG2-CG2 3.8Å; T165-V192 HydrophobicContact CG2-CG1 3.94Å; T165-V192 HydrophobicContact CG2-CG2 4.4Å; T165-N196 PolarHBondContact N-ND2 3.02Å; T165-N196 PolarHBondContact N-OD1 2.67Å; T165-N196 PolarHBondContact O-ND2 3.07Å; T165-H214 WeakPolarHBondContact O-CB 3.26Å; T165-H214 PolarHBondContact O-ND1 2.56Å; T165-H214 VanDerWaalsContact O-ND1 3.08Å
166M97.6Very high93.5Very high8 Ų840.5 Ų40.54%0.03919%0.19CC..PPolyproline II helixtrans-61.3160.1-179.2-62.7-176.980.500113.1I26 L168 L213 F217 W231 I239I26-M166 HydrophobicContact CG2-SD 4.25Å; M166-L168 PolarHBondContact O-N 2.82Å; M166-L213 HydrophobicContact CG-CB 3.78Å; M166-L213 HydrophobicContact CG-CD1 4.3Å; M166-F217 HydrophobicContact CE-CB 3.66Å; M166-F217 HydrophobicContact CE-CD1 3.33Å; M166-F217 HydrophobicContact CE-CD2 3.55Å; M166-F217 HydrophobicContact CE-CE1 3.77Å; M166-F217 HydrophobicContact CE-CE2 3.96Å; M166-F217 HydrophobicContact CE-CG 3.21Å; M166-F217 HydrophobicContact CE-CZ 4.06Å; M166-W231 HydrophobicContact CB-CZ2 4.1Å; M166-W231 HydrophobicContact CE-CD2 3.31Å; M166-W231 HydrophobicContact CE-CE3 3.59Å; M166-W231 HydrophobicContact CE-CG 3.76Å; M166-W231 HydrophobicContact CE-CH2 3.98Å; M166-W231 HydrophobicContact CE-CZ2 3.75Å; M166-W231 HydrophobicContact CE-CZ3 3.9Å; M166-W231 HydrophobicContact SD-CD2 4.04Å; M166-W231 HydrophobicContact SD-CG 3.91Å; M166-I239 HydrophobicContact CE-CD1 4.21Å; M166-I239 HydrophobicContact SD-CD1 3.67Å
167P97.3Very high93.2Very high10 Ų1035.6 Ų35.67%0.06517%0.168CC..PPolyproline II helixtrans-64.6126.6-178.3-21.134.4000112.9H214 L221 R224P167-H214 WeakPolarHBondContact CG-O 3.5Å; P167-L221 HydrophobicContact CB-CD2 4.08Å; P167-L221 HydrophobicContact CG-CD2 4.42Å; P167-R224 WeakPolarHBondContact O-CD 3.4Å; P167-R224 PolarHBondContact O-NH1 2.92Å
168L96.8Very high92.9Very high15 Ų1532.1 Ų32.18%0.07915%0.154CC..PPolyproline II helixtrans-81.4153.1175.2-58.2-173000112.3V125 M166 I172 L188 R189 V192 R224 G228 V229V125-L168 HydrophobicContact CG2-CD1 4.25Å; V125-L168 HydrophobicContact CG2-CD2 4.29Å; M166-L168 PolarHBondContact O-N 2.82Å; L168-I172 HydrophobicContact CB-CD1 4.07Å; L168-I172 HydrophobicContact CD1-CD1 3.88Å; L168-L188 HydrophobicContact CD1-CB 4.47Å; L168-L188 HydrophobicContact CD1-CD2 4.06Å; L168-L188 HydrophobicContact CD1-CG 3.82Å; L168-R189 HydrophobicContact CB-CB 4.05Å; L168-V192 HydrophobicContact CD1-CG2 3.6Å; L168-V192 HydrophobicContact CG-CG2 4.11Å; L168-R224 PolarHBondContact O-NH1 2.91Å; L168-G228 CarbonylContact C-O 3.59Å; L168-G228 WeakPolarHBondContact CA-O 3.41Å; L168-V229 HydrophobicContact CD2-CG1 4.33Å; L168-V229 HydrophobicContact CD2-CG2 4.34Å
169G94.7Very high92.5Very high3 Ų336.7 Ų36.73%0.03118%0.183CC..PPolyproline II helixtrans-76.9164.7175.700000112.5R171 I172 G228G169-R171 VanDerWaalsContact C-N 3.28Å; G169-I172 WeakPolarHBondContact O-CG1 3.5Å; G169-G228 PolarHBondContact N-O 3.08Å
170E90.8Very high92.1Very high139 Ų13943.4 Ų43.465%0.6522%0.215SC*.SBendtrans-69.1-32.9175.8-35-156.6120.100111.7R189E170-R189 IonicContact OE1-CZ 3.04Å; E170-R189 IonicContact OE1-NH1 2.9Å; E170-R189 PolarHBondContact OE1-NH1 2.71Å; E170-R189 IonicContact OE1-NH2 3.11Å
171R90.4Very high91.6Very high210 Ų21043.7 Ų43.779%0.79222%0.216SC*.SBendtrans-111.1119.6175.3-63.6-176.6-178.9-171.8-0.9107.8G169 G228G169-R171 VanDerWaalsContact C-N 3.28Å; R171-G228 WeakPolarHBondContact O-CA 3.48Å
172I91.4Very high91.2Very high13 Ų1349.6 Ų49.67%0.06724%0.244CC..  trans-113.2132.2-175.2-67.2176.8000108.5L168 G169 F176 L177 A185 L188 D227 V229L168-I172 HydrophobicContact CB-CD1 4.07Å; L168-I172 HydrophobicContact CD1-CD1 3.88Å; G169-I172 WeakPolarHBondContact O-CG1 3.5Å; I172-F176 HydrophobicContact CG2-CE1 3.98Å; I172-F176 HydrophobicContact CG2-CZ 3.57Å; I172-L177 HydrophobicContact CG2-CD2 4.29Å; I172-A185 HydrophobicContact CB-CB 4.31Å; I172-L188 HydrophobicContact CD1-CB 4.05Å; I172-L188 HydrophobicContact CD1-CD2 3.98Å; I172-L188 HydrophobicContact CD1-CG 4.39Å; I172-D227 CarbonylContact C-O 3.51Å; I172-D227 WeakPolarHBondContact CA-O 3.4Å; I172-V229 HydrophobicContact CB-CG2 4.49Å; I172-V229 HydrophobicContact CG1-CG2 4.44Å; I172-V229 HydrophobicContact CG2-CG2 3.67Å
173K88.1Confident90.8Very high141 Ų14156.2 Ų56.261%0.61328%0.275SS*.  trans-136143171.7-61.6-176.1179.4-174.80108.3D227K173-D227 HydrophobicContact CB-CB 4.21Å; K173-D227 PolarHBondContact N-O 2.8Å
174G80.8Confident90.3Very high11 Ų1157.5 Ų57.511%0.11328%0.28CS..  trans171.8155.5-179.100000112.5F176 L177 L296G174-F176 PolarHBondContact O-N 3.34Å; G174-F176 VanDerWaalsContact O-N 3.13Å; G174-L177 PolarHBondContact O-N 3.4Å; G174-L296 VanDerWaalsContact CA-CD1 3.49Å
175G79.6Confident89.9Confident20 Ų2057.6 Ų57.621%0.20628%0.282CS..THydrogen-bonded Turntrans-63.2-16.9177.700000114
176F82.9Confident89.6Confident10 Ų1061.4 Ų61.44%0.04431%0.307CS..THydrogen-bonded Turntrans-74.7-32.5171.882.5-82.5000111.8V125 W126 R130 I172 G174 V178 L188 V229V125-F176 HydrophobicContact CG1-CD2 3.8Å; V125-F176 HydrophobicContact CG1-CE1 4.25Å; V125-F176 HydrophobicContact CG1-CE2 3.37Å; V125-F176 HydrophobicContact CG1-CG 4.38Å; V125-F176 HydrophobicContact CG1-CZ 3.61Å; W126-F176 HydrophobicContact CD2-CB 3.95Å; W126-F176 VanDerWaalsContact CE2-CB 3.48Å; W126-F176 HydrophobicContact CE3-CB 4.27Å; W126-F176 HydrophobicContact CH2-CB 3.65Å; W126-F176 HydrophobicContact CZ2-CB 3.33Å; W126-F176 HydrophobicContact CZ3-CB 4.12Å; R130-F176 WeakPolarHBondContact CD-O 3.5Å; R130-F176 PolarHBondContact NE-O 3.17Å; I172-F176 HydrophobicContact CG2-CE1 3.98Å; I172-F176 HydrophobicContact CG2-CZ 3.57Å; G174-F176 PolarHBondContact O-N 3.34Å; G174-F176 VanDerWaalsContact O-N 3.13Å; F176-V178 VanDerWaalsContact C-N 3.34Å; F176-V178 PolarHBondContact O-N 2.92Å; F176-L188 HydrophobicContact CE2-CD2 3.71Å; F176-L188 HydrophobicContact CZ-CD2 3.91Å; F176-V229 HydrophobicContact CE1-CG1 4.46Å; F176-V229 HydrophobicContact CE1-CG2 3.92Å; F176-V229 HydrophobicContact CZ-CG2 4.28Å
177L86Confident89.3Confident24 Ų2465.6 Ų65.613%0.12633%0.327CS..SBendtrans-85.678-176.7-167.178.7000109.8I172 G174 I181 E182 A185I172-L177 HydrophobicContact CG2-CD2 4.29Å; G174-L177 PolarHBondContact O-N 3.4Å; L177-I181 HydrophobicContact CD1-CD1 4.4Å; L177-I181 HydrophobicContact CD1-CG1 4.09Å; L177-E182 HydrophobicContact CD2-CG 4.23Å; L177-A185 HydrophobicContact CD1-CB 4.12Å; L177-A185 HydrophobicContact CD2-CB 3.74Å
178V88.5Confident89.1Confident30 Ų3065.2 Ų65.218%0.18232%0.324CS..  trans-70.2159.9174.6-550000111.1F176 E180 I181 E182F176-V178 VanDerWaalsContact C-N 3.34Å; F176-V178 PolarHBondContact O-N 2.92Å; V178-E180 VanDerWaalsContact CB-OE2 3.31Å; V178-E180 WeakPolarHBondContact CB-OE2 3.45Å; V178-E180 HydrophobicContact CG2-CB 4.18Å; V178-E180 WeakPolarHBondContact CG2-OE2 3.41Å; V178-E180 PolarHBondContact O-N 2.92Å; V178-E180 VanDerWaalsContact O-N 3.1Å; V178-I181 HydrophobicContact CG2-CD1 4.47Å; V178-I181 HydrophobicContact CG2-CG1 3.91Å; V178-I181 WeakPolarHBondContact O-CG1 3.43Å; V178-I181 PolarHBondContact O-N 2.85Å; V178-E182 PolarHBondContact O-N 2.84Å; V178-E182 VanDerWaalsContact O-N 3.15Å
179P88.7Confident89Confident103 Ų10367.7 Ų67.767%0.66933%0.333SS*.G310 helixtrans-51.7-37.3-178.3-28.836.9000114.1I181 E182P179-I181 PolarHBondContact O-N 2.83Å; P179-I181 VanDerWaalsContact O-N 3.16Å; P179-E182 PolarHBondContact O-N 3.36Å
180E88.5Confident89.1Confident141 Ų14172.9 Ų72.966%0.65935%0.352SS*.G310 helixtrans-63.7-22.5-177.9-60.783.1173.900113.5V178 H183V178-E180 VanDerWaalsContact CB-OE2 3.31Å; V178-E180 WeakPolarHBondContact CB-OE2 3.45Å; V178-E180 HydrophobicContact CG2-CB 4.18Å; V178-E180 WeakPolarHBondContact CG2-OE2 3.41Å; V178-E180 PolarHBondContact O-N 2.92Å; V178-E180 VanDerWaalsContact O-N 3.1Å; E180-H183 PolarHBondContact O-CE1 3.39Å; E180-H183 PolarHBondContact O-ND1 3.17Å
181I89.6Confident89.3Confident17 Ų1767.4 Ų67.49%0.08733%0.327CS..G310 helixtrans-1216.7-179.369.7170.3000113.4R130 L177 V178 P179 H183 K184R130-I181 HydrophobicContact CG-CD1 4.37Å; L177-I181 HydrophobicContact CD1-CD1 4.4Å; L177-I181 HydrophobicContact CD1-CG1 4.09Å; V178-I181 HydrophobicContact CG2-CD1 4.47Å; V178-I181 HydrophobicContact CG2-CG1 3.91Å; V178-I181 WeakPolarHBondContact O-CG1 3.43Å; V178-I181 PolarHBondContact O-N 2.85Å; P179-I181 PolarHBondContact O-N 2.83Å; P179-I181 VanDerWaalsContact O-N 3.16Å; I181-H183 PolarHBondContact O-N 2.83Å; I181-K184 HydrophobicContact CB-CD 4.34Å; I181-K184 WeakPolarHBondContact O-CB 3.48Å; I181-K184 PolarHBondContact O-N 3.01Å
182E89.8Confident89.7Confident123 Ų12357.4 Ų57.458%0.57529%0.29SS*.G310 helixtrans-56.4-35.1-178.7-173.6174.4-163.100111.8L177 V178 P179 K184 A185L177-E182 HydrophobicContact CD2-CG 4.23Å; V178-E182 PolarHBondContact O-N 2.84Å; V178-E182 VanDerWaalsContact O-N 3.15Å; P179-E182 PolarHBondContact O-N 3.36Å; E182-K184 PolarHBondContact O-N 3.16Å; E182-A185 VanDerWaalsContact O-CB 3.26Å; E182-A185 WeakPolarHBondContact O-CB 3.41Å; E182-A185 PolarHBondContact O-N 3.37Å
183H89.8Confident89.9Confident142 Ų14261.1 Ų61.166%0.65731%0.308SS*.G310 helixtrans-57.3-20.1175.568-89.6000114.3E180 I181 P186E180-H183 PolarHBondContact O-CE1 3.39Å; E180-H183 PolarHBondContact O-ND1 3.17Å; I181-H183 PolarHBondContact O-N 2.83Å; H183-P186 WeakPolarHBondContact O-CD 3.24Å
184K88.6Confident90.3Very high28 Ų2858.6 Ų58.612%0.12230%0.299CS..G310 helixtrans-80.9-19.1176.9-62.1-171.9176.4-179.30113.6S129 N132 I181 E182 P186 Q187 L188S129-K184 PolarHBondContact O-NZ 2.88Å; N132-K184 PolarHBondContact O-NZ 3.43Å; N132-K184 VanDerWaalsContact O-NZ 3.17Å; I181-K184 HydrophobicContact CB-CD 4.34Å; I181-K184 WeakPolarHBondContact O-CB 3.48Å; I181-K184 PolarHBondContact O-N 3.01Å; E182-K184 PolarHBondContact O-N 3.16Å; K184-P186 VanDerWaalsContact C-CD 3.4Å; K184-Q187 PolarHBondContact O-N 3.22Å; K184-L188 PolarHBondContact O-N 3.17Å; K184-L188 VanDerWaalsContact O-N 3.1Å
185A90.1Very high91.1Very high12 Ų1258.1 Ų58.110%0.09929%0.294CS..Hα-helixtrans-53.1-41.5-172.600000114.8I172 L177 E182 Q187 L188I172-A185 HydrophobicContact CB-CB 4.31Å; L177-A185 HydrophobicContact CD1-CB 4.12Å; L177-A185 HydrophobicContact CD2-CB 3.74Å; E182-A185 VanDerWaalsContact O-CB 3.26Å; E182-A185 WeakPolarHBondContact O-CB 3.41Å; E182-A185 PolarHBondContact O-N 3.37Å; A185-Q187 PolarHBondContact O-N 3.43Å; A185-L188 PolarHBondContact O-N 3.45Å
186P90.9Very high92Very high89 Ų8957.5 Ų57.558%0.57829%0.286SS*.Hα-helixtrans-63.3-30.5179.9-23.235.2000113.9H183 K184H183-P186 WeakPolarHBondContact O-CD 3.24Å; K184-P186 VanDerWaalsContact C-CD 3.4Å
187Q92.2Very high92.7Very high97 Ų9764.3 Ų64.345%0.45332%0.315SS..Hα-helixtrans-90.7-24.6-175.6-176.655.333.700112.4K184 A185 R189 Y190 D191K184-Q187 PolarHBondContact O-N 3.22Å; A185-Q187 PolarHBondContact O-N 3.43Å; Q187-R189 PolarHBondContact O-N 3.17Å; Q187-R189 VanDerWaalsContact O-N 3.07Å; Q187-Y190 WeakPolarHBondContact O-CB 3.06Å; Q187-Y190 PolarHBondContact O-N 2.87Å; Q187-D191 WeakPolarHBondContact CG-OD1 3Å; Q187-D191 PolarHBondContact NE2-OD1 2.9Å; Q187-D191 PolarHBondContact O-N 3.05Å; Q187-D191 VanDerWaalsContact O-N 3.16Å
188L93.9Very high93.2Very high1 Ų165.2 Ų65.21%0.00532%0.317CS..Hα-helixtrans-56.2-33.6-170.7-16861.1000114.1V125 I128 L168 I172 F176 K184 A185 Y190 D191 V192V125-L188 HydrophobicContact CG1-CD2 4.18Å; I128-L188 HydrophobicContact CD1-CD1 3.68Å; I128-L188 HydrophobicContact CG1-CD1 3.63Å; L168-L188 HydrophobicContact CD1-CB 4.47Å; L168-L188 HydrophobicContact CD1-CD2 4.06Å; L168-L188 HydrophobicContact CD1-CG 3.82Å; I172-L188 HydrophobicContact CD1-CB 4.05Å; I172-L188 HydrophobicContact CD1-CD2 3.98Å; I172-L188 HydrophobicContact CD1-CG 4.39Å; F176-L188 HydrophobicContact CE2-CD2 3.71Å; F176-L188 HydrophobicContact CZ-CD2 3.91Å; K184-L188 PolarHBondContact O-N 3.17Å; K184-L188 VanDerWaalsContact O-N 3.1Å; A185-L188 PolarHBondContact O-N 3.45Å; L188-Y190 VanDerWaalsContact C-N 3.26Å; L188-Y190 PolarHBondContact O-N 3.16Å; L188-D191 PolarHBondContact O-N 2.81Å; L188-V192 WeakPolarHBondContact O-CG2 3.48Å; L188-V192 PolarHBondContact O-N 3.28Å
189R94.6Very high93.7Very high68 Ų6863.8 Ų63.826%0.25731%0.309SS..Hα-helixtrans-64.2-30.5177.672.3179.3-172.1175.5-1.2113.3L168 E170 Q187L168-R189 HydrophobicContact CB-CB 4.05Å; E170-R189 IonicContact OE1-CZ 3.04Å; E170-R189 IonicContact OE1-NH1 2.9Å; E170-R189 PolarHBondContact OE1-NH1 2.71Å; E170-R189 IonicContact OE1-NH2 3.11Å; Q187-R189 PolarHBondContact O-N 3.17Å; Q187-R189 VanDerWaalsContact O-N 3.07Å
190Y95.6Very high94Very high111 Ų11159.1 Ų59.144%0.43528%0.279SS..Hα-helixtrans-84-39.9177.1-54.3-69.4000110.7Q187 L188 V192 I193 E194Q187-Y190 WeakPolarHBondContact O-CB 3.06Å; Q187-Y190 PolarHBondContact O-N 2.87Å; L188-Y190 VanDerWaalsContact C-N 3.26Å; L188-Y190 PolarHBondContact O-N 3.16Å; Y190-V192 PolarHBondContact O-N 3.31Å; Y190-I193 WeakPolarHBondContact O-CA 3.38Å; Y190-I193 WeakPolarHBondContact O-CB 3.3Å; Y190-I193 PolarHBondContact O-N 3.43Å; Y190-E194 PolarHBondContact O-N 3.4Å
191D96.1Very high94.4Very high25 Ų2555.4 Ų55.413%0.13427%0.267CS..Hα-helixtrans-59.4-36.5175.3-67.84.7000111.3I128 W135 Q187 L188 I193 E194 A195I128-D191 HydrophobicContact CD1-CB 3.94Å; W135-D191 HydrophobicContact CZ2-CB 3.71Å; W135-D191 PolarHBondContact NE1-OD2 2.65Å; W135-D191 VanDerWaalsContact NE1-OD2 3.13Å; Q187-D191 WeakPolarHBondContact CG-OD1 3Å; Q187-D191 PolarHBondContact NE2-OD1 2.9Å; Q187-D191 PolarHBondContact O-N 3.05Å; Q187-D191 VanDerWaalsContact O-N 3.16Å; L188-D191 PolarHBondContact O-N 2.81Å; D191-I193 VanDerWaalsContact C-N 3.29Å; D191-I193 PolarHBondContact O-N 3.43Å; D191-E194 PolarHBondContact O-N 3.43Å; D191-A195 VanDerWaalsContact O-CB 3.24Å; D191-A195 WeakPolarHBondContact O-CB 3.07Å; D191-A195 PolarHBondContact O-N 3.15Å
192V97.4Very high94.7Very high0 Ų055.3 Ų55.30%027%0.266CS..Hα-helixtrans-59.9-36.9171.8164.50000112.2V125 I128 T165 L168 L188 Y190 N196V125-V192 HydrophobicContact CG2-CG2 4.35Å; I128-V192 HydrophobicContact CD1-CG2 3.73Å; T165-V192 HydrophobicContact CG2-CG1 3.94Å; T165-V192 HydrophobicContact CG2-CG2 4.4Å; L168-V192 HydrophobicContact CD1-CG2 3.6Å; L168-V192 HydrophobicContact CG-CG2 4.11Å; L188-V192 WeakPolarHBondContact O-CG2 3.48Å; L188-V192 PolarHBondContact O-N 3.28Å; Y190-V192 PolarHBondContact O-N 3.31Å; V192-N196 WeakPolarHBondContact O-CB 3.26Å; V192-N196 PolarHBondContact O-N 2.89Å; V192-N196 PolarHBondContact O-ND2 2.97Å
193I96.7Very high95Very high90 Ų9049.4 Ų49.446%0.46224%0.239SC..Hα-helixtrans-66.7-45.9178.4-62.3168.9000109.7Y190 D191 N196 F197Y190-I193 WeakPolarHBondContact O-CA 3.38Å; Y190-I193 WeakPolarHBondContact O-CB 3.3Å; Y190-I193 PolarHBondContact O-N 3.43Å; D191-I193 VanDerWaalsContact C-N 3.29Å; D191-I193 PolarHBondContact O-N 3.43Å; I193-N196 PolarHBondContact O-N 2.88Å; I193-F197 WeakPolarHBondContact O-CB 3.26Å; I193-F197 PolarHBondContact O-N 2.92Å
194E96.7Very high95.1Very high89 Ų8946.1 Ų46.142%0.41623%0.226SC..Hα-helixtrans-62.8-46.1176.4-174.5-177.9170.400111.6W135 Y190 D191 N196 F197 Y198W135-E194 HydrophobicContact CH2-CB 4.23Å; W135-E194 HydrophobicContact CH2-CG 4.23Å; Y190-E194 PolarHBondContact O-N 3.4Å; D191-E194 PolarHBondContact O-N 3.43Å; E194-N196 VanDerWaalsContact C-N 3.35Å; E194-N196 PolarHBondContact O-N 2.89Å; E194-F197 PolarHBondContact O-N 3.5Å; E194-Y198 PolarHBondContact O-N 3.46Å
195A98Very high95.4Very high0 Ų050.2 Ų50.20%025%0.249CC..Hα-helixtrans-62-41.3178.100000112.2I128 W135 Y139 D191 G199I128-A195 HydrophobicContact CD1-CB 4.47Å; I128-A195 HydrophobicContact CG2-CB 4.06Å; W135-A195 HydrophobicContact CH2-CB 3.86Å; W135-A195 HydrophobicContact CZ3-CB 3.92Å; Y139-A195 HydrophobicContact CD1-CB 4.28Å; Y139-A195 HydrophobicContact CE1-CB 3.68Å; D191-A195 VanDerWaalsContact O-CB 3.24Å; D191-A195 WeakPolarHBondContact O-CB 3.07Å; D191-A195 PolarHBondContact O-N 3.15Å; A195-G199 PolarHBondContact O-N 2.87Å
196N98.3Very high95.7Very high7 Ų753 Ų534%0.03726%0.258CS..Hα-helixtrans-65.9-44.7175.8-81.4-15.1000111.8L164 T165 V192 I193 E194 Y198 G199 G200 H214L164-N196 HydrophobicContact CB-CB 4.31Å; L164-N196 HydrophobicContact CD1-CB 4.22Å; L164-N196 HydrophobicContact CD2-CB 4.47Å; T165-N196 PolarHBondContact N-ND2 3.02Å; T165-N196 PolarHBondContact N-OD1 2.67Å; T165-N196 PolarHBondContact O-ND2 3.07Å; V192-N196 WeakPolarHBondContact O-CB 3.26Å; V192-N196 PolarHBondContact O-N 2.89Å; V192-N196 PolarHBondContact O-ND2 2.97Å; I193-N196 PolarHBondContact O-N 2.88Å; E194-N196 VanDerWaalsContact C-N 3.35Å; E194-N196 PolarHBondContact O-N 2.89Å; N196-Y198 PolarHBondContact O-N 2.91Å; N196-G199 PolarHBondContact O-N 3.27Å; N196-G200 PolarHBondContact O-N 3.31Å; N196-H214 PolarHBondContact ND2-ND1 3.26Å
197F96.5Very high95.9Very high153 Ų15352.2 Ų52.267%0.67125%0.246SC*.Hα-helixtrans-58.5-50.2177.6175.2-100.2000111.1I193 E194 T201I193-F197 WeakPolarHBondContact O-CB 3.26Å; I193-F197 PolarHBondContact O-N 2.92Å; E194-F197 PolarHBondContact O-N 3.5Å; F197-T201 WeakPolarHBondContact O-CB 3.48Å; F197-T201 PolarHBondContact O-N 3.45Å; F197-T201 PolarHBondContact O-OG1 2.9Å
198Y97.5Very high96.1Very high43 Ų4347.7 Ų47.717%0.16923%0.225CC..Hα-helixtrans-64.5-47.6177.5178-88.9000112K140 L143 K144 E194 N196 G200 T201 L202K140-Y198 HydrophobicContact CB-CD1 4.45Å; K140-Y198 HydrophobicContact CB-CE1 3.74Å; K140-Y198 HydrophobicContact CB-CE2 4.23Å; K140-Y198 WeakPolarHBondContact CB-OH 3.35Å; K140-Y198 HydrophobicContact CD-CD1 4.48Å; K140-Y198 HydrophobicContact CD-CD2 3.83Å; K140-Y198 HydrophobicContact CD-CE1 4.34Å; K140-Y198 HydrophobicContact CD-CE2 3.62Å; K140-Y198 HydrophobicContact CD-CG 4.24Å; K140-Y198 VanDerWaalsContact CE-CD2 3.45Å; K140-Y198 HydrophobicContact CG-CD1 3.69Å; K140-Y198 HydrophobicContact CG-CD2 3.94Å; K140-Y198 HydrophobicContact CG-CE1 3.46Å; K140-Y198 VanDerWaalsContact CG-CE1 3.46Å; K140-Y198 HydrophobicContact CG-CE2 3.68Å; K140-Y198 HydrophobicContact CG-CG 3.92Å; K140-Y198 VanDerWaalsContact CG-CZ 3.42Å; K140-Y198 PolarHBondContact O-OH 2.97Å; L143-Y198 HydrophobicContact CB-CE1 4.47Å; L143-Y198 HydrophobicContact CD1-CD1 3.81Å; L143-Y198 HydrophobicContact CD1-CE1 3.89Å; K144-Y198 WeakPolarHBondContact CE-OH 3.46Å; E194-Y198 PolarHBondContact O-N 3.46Å; N196-Y198 PolarHBondContact O-N 2.91Å; Y198-G200 PolarHBondContact O-N 3.21Å; Y198-T201 PolarHBondContact O-N 3.46Å; Y198-L202 HydrophobicContact CE1-CB 4.22Å; Y198-L202 HydrophobicContact CE1-CD2 3.75Å; Y198-L202 WeakPolarHBondContact O-CB 3.41Å; Y198-L202 PolarHBondContact O-N 3.4Å
199G97.6Very high96.3Very high0 Ų048 Ų480%023%0.226CC..Hα-helixtrans-61.8-43.7-177.800000112.5A195 N196 L202 A203A195-G199 PolarHBondContact O-N 2.87Å; N196-G199 PolarHBondContact O-N 3.27Å; G199-L202 PolarHBondContact O-N 3.37Å; G199-A203 WeakPolarHBondContact O-CB 3.47Å; G199-A203 PolarHBondContact O-N 3.43Å
200G96.4Very high96.4Very high5 Ų544.9 Ų44.95%0.05222%0.215CC..Hα-helixtrans-64.3-46.3175.400000112.5N196 Y198 L202 A203 D204N196-G200 PolarHBondContact O-N 3.31Å; Y198-G200 PolarHBondContact O-N 3.21Å; G200-L202 VanDerWaalsContact C-N 3.3Å; G200-L202 PolarHBondContact O-N 3.12Å; G200-A203 PolarHBondContact O-N 3.26Å; G200-D204 PolarHBondContact O-N 2.86Å
201T95.4Very high96.5Very high64 Ų6439.6 Ų39.639%0.39319%0.194SC..Hα-helixtrans-60.8-41.1176.6-55.20000111.5F197 Y198 N205F197-T201 WeakPolarHBondContact O-CB 3.48Å; F197-T201 PolarHBondContact O-N 3.45Å; F197-T201 PolarHBondContact O-OG1 2.9Å; Y198-T201 PolarHBondContact O-N 3.46Å; T201-N205 VanDerWaalsContact O-CG 3.32Å; T201-N205 PolarHBondContact O-N 2.88Å; T201-N205 PolarHBondContact O-ND2 2.84Å
202L97.2Very high96.6Very high14 Ų1440.7 Ų40.77%0.07320%0.201CC..Hα-helixtrans-71.2-40179.2-170.670000111.9L143 K144 F147 Y198 G199 G200 D204 N205 Y206L143-L202 HydrophobicContact CB-CD2 3.76Å; K144-L202 HydrophobicContact CB-CD2 4.43Å; K144-L202 HydrophobicContact CG-CD1 4.1Å; K144-L202 HydrophobicContact CG-CD2 3.67Å; F147-L202 HydrophobicContact CD2-CB 4.43Å; F147-L202 HydrophobicContact CD2-CD2 3.81Å; F147-L202 HydrophobicContact CD2-CG 3.85Å; F147-L202 HydrophobicContact CE2-CB 4.11Å; F147-L202 HydrophobicContact CE2-CD2 3.96Å; F147-L202 HydrophobicContact CE2-CG 4.02Å; Y198-L202 HydrophobicContact CE1-CB 4.22Å; Y198-L202 HydrophobicContact CE1-CD2 3.75Å; Y198-L202 WeakPolarHBondContact O-CB 3.41Å; Y198-L202 PolarHBondContact O-N 3.4Å; G199-L202 PolarHBondContact O-N 3.37Å; G200-L202 VanDerWaalsContact C-N 3.3Å; G200-L202 PolarHBondContact O-N 3.12Å; L202-D204 VanDerWaalsContact C-N 3.3Å; L202-D204 PolarHBondContact O-N 2.63Å; L202-N205 WeakPolarHBondContact O-CB 3.41Å; L202-N205 PolarHBondContact O-N 3.41Å; L202-Y206 HydrophobicContact CD1-CD2 4.18Å; L202-Y206 HydrophobicContact CD1-CE2 3.8Å; L202-Y206 HydrophobicContact CG-CD2 4.17Å; L202-Y206 HydrophobicContact CG-CE2 4.08Å; L202-Y206 VanDerWaalsContact O-CD2 3.3Å; L202-Y206 WeakPolarHBondContact O-CD2 3.49Å; L202-Y206 PolarHBondContact O-N 2.92Å
203A96.8Very high96.6Very high0 Ų040.8 Ų40.80%020%0.201CC..Hα-helixtrans-58.6-44175.600000111.2F147 W162 G199 G200 N205 Y206 E207 I208 V210F147-A203 HydrophobicContact CE2-CB 3.95Å; F147-A203 HydrophobicContact CZ-CB 3.97Å; W162-A203 HydrophobicContact CB-CB 3.96Å; W162-A203 HydrophobicContact CG-CB 4.06Å; G199-A203 WeakPolarHBondContact O-CB 3.47Å; G199-A203 PolarHBondContact O-N 3.43Å; G200-A203 PolarHBondContact O-N 3.26Å; A203-N205 PolarHBondContact O-N 3.42Å; A203-Y206 CarbonylContact O-C 3.54Å; A203-Y206 PolarHBondContact O-N 3.3Å; A203-E207 PolarHBondContact O-N 3.03Å; A203-I208 CarbonylContact C-O 3.55Å; A203-I208 HydrophobicContact CB-CB 4.1Å; A203-I208 HydrophobicContact CB-CG2 4.2Å; A203-I208 WeakPolarHBondContact O-CB 3.38Å; A203-I208 PolarHBondContact O-N 3.09Å; A203-V210 HydrophobicContact CB-CG2 3.58Å
204D91.1Very high96.6Very high72 Ų7238.4 Ų38.439%0.38519%0.188SC..Hα-helixtrans-58.3-45175.1-171.956.2000112.1G200 L202 Y206 E207G200-D204 PolarHBondContact O-N 2.86Å; L202-D204 VanDerWaalsContact C-N 3.3Å; L202-D204 PolarHBondContact O-N 2.63Å; D204-Y206 PolarHBondContact O-N 2.73Å; D204-Y206 VanDerWaalsContact O-N 3.11Å; D204-E207 PolarHBondContact O-N 2.98Å
205N94.9Very high96.6Very high115 Ų11537.8 Ų37.862%0.61518%0.184SC*.Hα-helixtrans-60.7-21.5175-69.9-31.9000114.3T201 L202 A203T201-N205 VanDerWaalsContact O-CG 3.32Å; T201-N205 PolarHBondContact O-N 2.88Å; T201-N205 PolarHBondContact O-ND2 2.84Å; L202-N205 WeakPolarHBondContact O-CB 3.41Å; L202-N205 PolarHBondContact O-N 3.41Å; A203-N205 PolarHBondContact O-N 3.42Å
206Y96.4Very high96.4Very high70 Ų7038.6 Ų38.628%0.27519%0.187SC..THydrogen-bonded Turntrans-99.17.5175.9-82.6-101.1000112.9K144 F147 K151 L202 A203 D204 I208K144-Y206 PolarHBondContact O-OH 2.97Å; F147-Y206 HydrophobicContact CB-CD1 3.71Å; F147-Y206 HydrophobicContact CB-CD2 4.08Å; F147-Y206 HydrophobicContact CB-CE1 4.01Å; F147-Y206 HydrophobicContact CB-CE2 4.35Å; F147-Y206 HydrophobicContact CB-CG 3.73Å; F147-Y206 HydrophobicContact CD2-CD2 4.22Å; F147-Y206 HydrophobicContact CD2-CG 4.48Å; K151-Y206 WeakPolarHBondContact CE-O 3.48Å; K151-Y206 HydrophobicContact CG-CD1 4.33Å; K151-Y206 PolarHBondContact NZ-O 3.06Å; L202-Y206 HydrophobicContact CD1-CD2 4.18Å; L202-Y206 HydrophobicContact CD1-CE2 3.8Å; L202-Y206 HydrophobicContact CG-CD2 4.17Å; L202-Y206 HydrophobicContact CG-CE2 4.08Å; L202-Y206 VanDerWaalsContact O-CD2 3.3Å; L202-Y206 WeakPolarHBondContact O-CD2 3.49Å; L202-Y206 PolarHBondContact O-N 2.92Å; A203-Y206 CarbonylContact O-C 3.54Å; A203-Y206 PolarHBondContact O-N 3.3Å; D204-Y206 PolarHBondContact O-N 2.73Å; D204-Y206 VanDerWaalsContact O-N 3.11Å; Y206-I208 VanDerWaalsContact C-N 3.27Å; Y206-I208 PolarHBondContact O-N 3.28Å
207E94.6Very high96.3Very high72 Ų7238.3 Ų38.334%0.33619%0.186SC..THydrogen-bonded Turntrans56.241.2-173.9-48.9175.3118.500112.5K151 A203 D204 S370 R371K151-E207 IonicContact NZ-OE2 3.5Å; K151-E207 PolarHBondContact NZ-OE2 3.14Å; A203-E207 PolarHBondContact O-N 3.03Å; D204-E207 PolarHBondContact O-N 2.98Å; E207-S370 VanDerWaalsContact C-OG 3.31Å; E207-S370 VanDerWaalsContact CA-CB 3.48Å; E207-S370 WeakPolarHBondContact CA-OG 3.31Å; E207-S370 PolarHBondContact O-OG 3.15Å; E207-R371 VanDerWaalsContact CD-NH2 3.33Å; E207-R371 IonicContact OE1-CZ 3.58Å; E207-R371 IonicContact OE1-NE 3.53Å; E207-R371 PolarHBondContact OE1-NE 3.35Å; E207-R371 VanDerWaalsContact OE1-NE 3.11Å; E207-R371 IonicContact OE1-NH2 3.08Å; E207-R371 PolarHBondContact OE1-NH2 3.15Å; E207-R371 VanDerWaalsContact OE1-NH2 3.08Å; E207-R371 IonicContact OE2-CZ 3.56Å; E207-R371 IonicContact OE2-NE 2.67Å; E207-R371 IonicContact OE2-NH2 2.83Å; E207-R371 PolarHBondContact OE2-NH2 3.16Å
208I96.8Very high96.2Very high2 Ų235.3 Ų35.31%0.0117%0.17CC..  trans-103131.7174.5-66.9172.3000107.8F147 I160 W162 A203 Y206F147-I208 HydrophobicContact CB-CD1 3.94Å; F147-I208 HydrophobicContact CD1-CD1 3.57Å; F147-I208 HydrophobicContact CE1-CD1 4.18Å; F147-I208 HydrophobicContact CG-CD1 3.78Å; I160-I208 HydrophobicContact CB-CG1 4.37Å; I160-I208 HydrophobicContact CB-CG2 4.1Å; I160-I208 HydrophobicContact CG2-CD1 4.27Å; I160-I208 HydrophobicContact CG2-CG1 4.23Å; I160-I208 HydrophobicContact CG2-CG2 3.65Å; W162-I208 HydrophobicContact CB-CG2 3.92Å; A203-I208 CarbonylContact C-O 3.55Å; A203-I208 HydrophobicContact CB-CB 4.1Å; A203-I208 HydrophobicContact CB-CG2 4.2Å; A203-I208 WeakPolarHBondContact O-CB 3.38Å; A203-I208 PolarHBondContact O-N 3.09Å; Y206-I208 VanDerWaalsContact C-N 3.27Å; Y206-I208 PolarHBondContact O-N 3.28Å
209D97.7Very high96Very high7 Ų740.9 Ų40.94%0.03720%0.195CC..EExtended strand (participates in β ladder)trans-71.1139.8-176.5-71.7-1.1000110.4I160 I161 W162 H246 V367 S370I160-D209 PolarHBondContact O-N 2.93Å; I160-D209 VanDerWaalsContact O-N 3.16Å; I161-D209 CarbonylContact C-O 3.53Å; I161-D209 WeakPolarHBondContact CA-O 3.48Å; W162-D209 PolarHBondContact N-O 3.09Å; D209-H246 WeakPolarHBondContact CB-NE2 3.43Å; D209-H246 IonicContact OD2-CE1 2.72Å; D209-H246 PolarHBondContact OD2-CE1 3.45Å; D209-H246 IonicContact OD2-NE2 3.54Å; D209-H246 PolarHBondContact OD2-NE2 3.32Å; D209-H246 VanDerWaalsContact OD2-NE2 3.15Å; D209-V367 HydrophobicContact CB-CG1 4.45Å; D209-S370 PolarHBondContact OD1-N 3.01Å; D209-S370 PolarHBondContact OD1-OG 3.29Å
210V97.9Very high95.9Very high3 Ų341.4 Ų41.42%0.01820%0.199CC..EExtended strand (participates in β ladder)trans-114.9116.5-174.5-179.20000111W162 L164 A203 V367 M368W162-V210 WeakPolarHBondContact O-CA 3.43Å; L164-V210 HydrophobicContact CD1-CG1 4.06Å; L164-V210 HydrophobicContact CD2-CG1 3.95Å; L164-V210 HydrophobicContact CG-CG1 3.81Å; A203-V210 HydrophobicContact CB-CG2 3.58Å; V210-V367 WeakPolarHBondContact O-CA 2.99Å; V210-V367 WeakPolarHBondContact O-CG1 3.46Å; V210-M368 PolarHBondContact N-O 3.27Å; V210-M368 PolarHBondContact O-N 3.48Å
211L97.4Very high95.9Very high0 Ų044.6 Ų44.60%022%0.215CC..EExtended strand (participates in β ladder)trans-98.4106.3170.3176.961.2000110I161 W162 N163 L164 L213 L242 L243 V367I161-L211 HydrophobicContact CG2-CB 4.02Å; W162-L211 PolarHBondContact O-N 2.9Å; N163-L211 WeakPolarHBondContact CA-O 3.47Å; N163-L211 WeakPolarHBondContact OD1-CB 3.19Å; L164-L211 PolarHBondContact N-O 2.78Å; L211-L213 HydrophobicContact CD1-CD2 4.37Å; L211-L213 HydrophobicContact CD2-CD2 3.68Å; L211-L213 HydrophobicContact CD2-CG 4.49Å; L211-L213 HydrophobicContact CG-CD2 3.69Å; L211-L213 HydrophobicContact CG-CG 4.27Å; L211-L213 PolarHBondContact O-N 3.04Å; L211-L242 HydrophobicContact CD1-CB 4.22Å; L211-L242 HydrophobicContact CD2-CB 4.15Å; L211-L243 HydrophobicContact CD2-CD2 3.64Å; L211-L243 HydrophobicContact CD2-CG 3.9Å; L211-V367 HydrophobicContact CB-CG2 4.34Å; L211-V367 HydrophobicContact CD1-CG2 3.58Å
212D97.4Very high95.9Very high49 Ų4947.9 Ų47.926%0.26223%0.226SC..  trans-80.280.6-177.6-170.9-11.6000112.2L164 H214 F215 Q216L164-D212 HydrophobicContact CD1-CB 3.97Å; L164-D212 HydrophobicContact CG-CB 4.43Å; D212-H214 PolarHBondContact O-N 3.3Å; D212-H214 WeakPolarHBondContact OD1-CA 3.27Å; D212-H214 VanDerWaalsContact OD1-CB 3.25Å; D212-H214 WeakPolarHBondContact OD1-CB 3.4Å; D212-H214 PolarHBondContact OD1-N 3.38Å; D212-F215 HydrophobicContact CB-CB 4.11Å; D212-F215 PolarHBondContact O-N 2.97Å; D212-F215 PolarHBondContact OD1-N 3.31Å; D212-F215 VanDerWaalsContact OD2-CB 3.3Å; D212-F215 WeakPolarHBondContact OD2-CB 3.17Å; D212-Q216 VanDerWaalsContact O-CG 3.27Å; D212-Q216 WeakPolarHBondContact O-CG 3.27Å; D212-Q216 PolarHBondContact O-N 3.14Å
213L97.5Very high95.9Very high1 Ų149.3 Ų49.31%0.00523%0.232CC..Hα-helixtrans-66.4-21.2175.7-51.6176.7000112.5N163 L164 M166 L211 F217 I239 L242N163-L213 HydrophobicContact CB-CD1 3.91Å; N163-L213 HydrophobicContact CB-CG 4.39Å; L164-L213 VanDerWaalsContact O-CB 3.29Å; L164-L213 WeakPolarHBondContact O-CB 3.21Å; M166-L213 HydrophobicContact CG-CB 3.78Å; M166-L213 HydrophobicContact CG-CD1 4.3Å; L211-L213 HydrophobicContact CD1-CD2 4.37Å; L211-L213 HydrophobicContact CD2-CD2 3.68Å; L211-L213 HydrophobicContact CD2-CG 4.49Å; L211-L213 HydrophobicContact CG-CD2 3.69Å; L211-L213 HydrophobicContact CG-CG 4.27Å; L211-L213 PolarHBondContact O-N 3.04Å; L213-F217 HydrophobicContact CB-CD2 4.33Å; L213-F217 HydrophobicContact CD2-CE2 4.14Å; L213-F217 WeakPolarHBondContact O-CB 3.44Å; L213-F217 VanDerWaalsContact O-CD2 3.31Å; L213-F217 WeakPolarHBondContact O-CD2 3.49Å; L213-F217 PolarHBondContact O-N 3.16Å; L213-I239 HydrophobicContact CD1-CD1 4.39Å; L213-I239 HydrophobicContact CD1-CG1 4.45Å; L213-I239 HydrophobicContact CD1-CG2 4.15Å; L213-I239 HydrophobicContact CD2-CG1 4.19Å; L213-I239 HydrophobicContact CD2-CG2 4.11Å; L213-L242 HydrophobicContact CD2-CD1 4.48Å
214H97.2Very high95.9Very high41 Ų4151.9 Ų51.919%0.1924%0.241CC..Hα-helixtrans-64.5-52.7175.3-160.499.8000110T165 P167 N196 D212 F217 R218T165-H214 WeakPolarHBondContact O-CB 3.26Å; T165-H214 PolarHBondContact O-ND1 2.56Å; T165-H214 VanDerWaalsContact O-ND1 3.08Å; P167-H214 WeakPolarHBondContact CG-O 3.5Å; N196-H214 PolarHBondContact ND2-ND1 3.26Å; D212-H214 PolarHBondContact O-N 3.3Å; D212-H214 WeakPolarHBondContact OD1-CA 3.27Å; D212-H214 VanDerWaalsContact OD1-CB 3.25Å; D212-H214 WeakPolarHBondContact OD1-CB 3.4Å; D212-H214 PolarHBondContact OD1-N 3.38Å; H214-F217 PolarHBondContact O-N 2.91Å; H214-R218 PolarHBondContact O-N 3.07Å; H214-R218 VanDerWaalsContact O-N 3.16Å
215F95.5Very high96.1Very high76 Ų7650.6 Ų50.633%0.33324%0.237SC..Hα-helixtrans-60.7-49.9175.4-179-94.9000110.7D212 F217 R218 F366D212-F215 HydrophobicContact CB-CB 4.11Å; D212-F215 PolarHBondContact O-N 2.97Å; D212-F215 PolarHBondContact OD1-N 3.31Å; D212-F215 VanDerWaalsContact OD2-CB 3.3Å; D212-F215 WeakPolarHBondContact OD2-CB 3.17Å; F215-F217 PolarHBondContact O-N 3.36Å; F215-F217 VanDerWaalsContact O-N 3.1Å; F215-R218 VanDerWaalsContact CD2-CZ 3.43Å; F215-R218 VanDerWaalsContact CD2-NH1 3.27Å; F215-R218 VanDerWaalsContact CE2-NH1 3.27Å; F215-R218 VanDerWaalsContact CG-NH1 3.26Å; F215-R218 VanDerWaalsContact CZ-CZ 3.42Å; F215-R218 VanDerWaalsContact CZ-NH1 3.25Å; F215-R218 WeakPolarHBondContact O-CD 3.45Å; F215-R218 VanDerWaalsContact O-CG 3.29Å; F215-R218 WeakPolarHBondContact O-CG 3.17Å; F215-R218 PolarHBondContact O-N 2.87Å; F215-R218 PolarHBondContact O-NH1 2.9Å; F215-F366 HydrophobicContact CE1-CD1 4.18Å; F215-F366 HydrophobicContact CE1-CE1 4.28Å
216Q94.4Very high96.1Very high16 Ų1652.7 Ų52.78%0.07524%0.24CC..Hα-helixtrans-56.5-33-175.7-71-55.5-47.900113.8D212 L242D212-Q216 VanDerWaalsContact O-CG 3.27Å; D212-Q216 WeakPolarHBondContact O-CG 3.27Å; D212-Q216 PolarHBondContact O-N 3.14Å; Q216-L242 HydrophobicContact CB-CD1 4.22Å; Q216-L242 HydrophobicContact CG-CD1 3.89Å
217F96.1Very high96Very high1 Ų151.2 Ų51.20%0.00424%0.237CC..Hα-helixtrans-109.12.7-172.6-70.8-96.6000114.7M166 L213 H214 F215 F219 S220 W231 A235 R238 I239 L242M166-F217 HydrophobicContact CE-CB 3.66Å; M166-F217 HydrophobicContact CE-CD1 3.33Å; M166-F217 HydrophobicContact CE-CD2 3.55Å; M166-F217 HydrophobicContact CE-CE1 3.77Å; M166-F217 HydrophobicContact CE-CE2 3.96Å; M166-F217 HydrophobicContact CE-CG 3.21Å; M166-F217 HydrophobicContact CE-CZ 4.06Å; L213-F217 HydrophobicContact CB-CD2 4.33Å; L213-F217 HydrophobicContact CD2-CE2 4.14Å; L213-F217 WeakPolarHBondContact O-CB 3.44Å; L213-F217 VanDerWaalsContact O-CD2 3.31Å; L213-F217 WeakPolarHBondContact O-CD2 3.49Å; L213-F217 PolarHBondContact O-N 3.16Å; H214-F217 PolarHBondContact O-N 2.91Å; F215-F217 PolarHBondContact O-N 3.36Å; F215-F217 VanDerWaalsContact O-N 3.1Å; F217-F219 PolarHBondContact O-N 2.95Å; F217-F219 VanDerWaalsContact O-N 3.1Å; F217-S220 PolarHBondContact O-N 3.42Å; F217-W231 HydrophobicContact CB-CH2 3.74Å; F217-W231 HydrophobicContact CB-CZ2 4.4Å; F217-W231 HydrophobicContact CB-CZ3 4.03Å; F217-W231 HydrophobicContact CD1-CE3 4.17Å; F217-W231 HydrophobicContact CD1-CH2 4.38Å; F217-W231 AromaticContact CD1-CZ3 3.81Å; F217-W231 HydrophobicContact CD1-CZ3 3.81Å; F217-W231 HydrophobicContact CG-CH2 4.48Å; F217-W231 HydrophobicContact CG-CZ3 4.34Å; F217-A235 HydrophobicContact CD1-CB 4.36Å; F217-A235 HydrophobicContact CE1-CB 3.79Å; F217-R238 HydrophobicContact CE1-CB 4.29Å; F217-R238 HydrophobicContact CE1-CG 4.36Å; F217-R238 HydrophobicContact CZ-CB 3.95Å; F217-R238 HydrophobicContact CZ-CG 3.88Å; F217-I239 HydrophobicContact CE2-CG1 3.74Å; F217-I239 HydrophobicContact CZ-CD1 4.42Å; F217-I239 HydrophobicContact CZ-CG1 3.56Å; F217-L242 HydrophobicContact CE2-CD1 4.26Å
218R94.7Very high96Very high91 Ų9148 Ų4834%0.34322%0.223SC..THydrogen-bonded Turntrans-56.6-27.1178.776.4-165.5-176-806.2114.4H214 F215H214-R218 PolarHBondContact O-N 3.07Å; H214-R218 VanDerWaalsContact O-N 3.16Å; F215-R218 VanDerWaalsContact CD2-CZ 3.43Å; F215-R218 VanDerWaalsContact CD2-NH1 3.27Å; F215-R218 VanDerWaalsContact CE2-NH1 3.27Å; F215-R218 VanDerWaalsContact CG-NH1 3.26Å; F215-R218 VanDerWaalsContact CZ-CZ 3.42Å; F215-R218 VanDerWaalsContact CZ-NH1 3.25Å; F215-R218 WeakPolarHBondContact O-CD 3.45Å; F215-R218 VanDerWaalsContact O-CG 3.29Å; F215-R218 WeakPolarHBondContact O-CG 3.17Å; F215-R218 PolarHBondContact O-N 2.87Å; F215-R218 PolarHBondContact O-NH1 2.9Å
219F93.7Very high95.9Very high159 Ų15948.4 Ų48.470%0.69723%0.225SC*.THydrogen-bonded Turntrans-110.116.5176.9-59.7-54.3000113.4F217F217-F219 PolarHBondContact O-N 2.95Å; F217-F219 VanDerWaalsContact O-N 3.1Å
220S95.4Very high95.8Very high11 Ų1150.4 Ų50.48%0.07724%0.235CC..  trans-122.226.5179.1-61.90000112.1F217 Q222 H223 W231 R238F217-S220 PolarHBondContact O-N 3.42Å; S220-Q222 VanDerWaalsContact CA-OE1 3.26Å; S220-Q222 PolarHBondContact O-N 3.3Å; S220-H223 PolarHBondContact O-N 2.83Å; S220-W231 VanDerWaalsContact O-CZ3 3.3Å; S220-W231 WeakPolarHBondContact O-CZ3 3.43Å; S220-R238 PolarHBondContact OG-NH1 3.48Å
221L95.6Very high95.8Very high73 Ų7350.5 Ų50.538%0.38224%0.235SC..G310 helixtrans-60.6-20.5-173.3-55.3-176.6000113.6P167 H223 R224 W231P167-L221 HydrophobicContact CB-CD2 4.08Å; P167-L221 HydrophobicContact CG-CD2 4.42Å; L221-H223 PolarHBondContact O-N 2.77Å; L221-H223 VanDerWaalsContact O-N 3.16Å; L221-R224 VanDerWaalsContact O-CB 3.32Å; L221-R224 WeakPolarHBondContact O-CB 3.33Å; L221-R224 PolarHBondContact O-N 2.77Å; L221-W231 HydrophobicContact CD2-CH2 4.08Å
222Q96.3Very high95.8Very high133 Ų13352.9 Ų52.962%0.62125%0.247SC*.G310 helixtrans-61.3-17.617371.7-80.68.100113.7S220S220-Q222 VanDerWaalsContact CA-OE1 3.26Å; S220-Q222 PolarHBondContact O-N 3.3Å
223H96.9Very high95.9Very high43 Ų4351.2 Ų51.220%0.19924%0.241CC..G310 helixtrans-93-4.9176.9-61.1-41.9000113.5S220 L221 W231 N232 A235S220-H223 PolarHBondContact O-N 2.83Å; L221-H223 PolarHBondContact O-N 2.77Å; L221-H223 VanDerWaalsContact O-N 3.16Å; H223-W231 HydrophobicContact CB-CE3 4.01Å; H223-W231 HydrophobicContact CB-CZ3 4.27Å; H223-W231 WeakPolarHBondContact O-CA 3.35Å; H223-N232 PolarHBondContact ND1-ND2 3.35Å; H223-N232 PolarHBondContact O-N 2.95Å; H223-A235 HydrophobicContact CB-CB 4.03Å
224R96.9Very high95.8Very high54 Ų5454.6 Ų54.620%0.20426%0.258CS..BIsolated β-bridgetrans-78.8137.1173.6-169.6172.459.6-159.3-0.4109.6P167 L168 L221 H230 W231P167-R224 WeakPolarHBondContact O-CD 3.4Å; P167-R224 PolarHBondContact O-NH1 2.92Å; L168-R224 PolarHBondContact O-NH1 2.91Å; L221-R224 VanDerWaalsContact O-CB 3.32Å; L221-R224 WeakPolarHBondContact O-CB 3.33Å; L221-R224 PolarHBondContact O-N 2.77Å; R224-H230 WeakPolarHBondContact CA-O 3.41Å; R224-H230 WeakPolarHBondContact CG-O 3.47Å; R224-W231 HydrophobicContact CB-CD2 3.98Å; R224-W231 HydrophobicContact CB-CE3 4.06Å; R224-W231 HydrophobicContact CB-CH2 4.08Å; R224-W231 HydrophobicContact CB-CZ2 3.96Å; R224-W231 HydrophobicContact CB-CZ3 4.13Å; R224-W231 HydrophobicContact CG-CD2 4.26Å; R224-W231 HydrophobicContact CG-CZ2 4.1Å
225T95.6Very high95.9Very high46 Ų4652.7 Ų52.728%0.28225%0.249SC..  trans-69.3163.7177.564.40000110.8D227 G228 H230T225-D227 PolarHBondContact O-N 3.49Å; T225-D227 VanDerWaalsContact O-N 3.11Å; T225-D227 PolarHBondContact OG1-OD1 3.5Å; T225-D227 PolarHBondContact OG1-OD2 2.81Å; T225-G228 PolarHBondContact O-N 3.24Å; T225-G228 VanDerWaalsContact O-N 3.1Å; T225-H230 HydrophobicContact CG2-CB 4.03Å; T225-H230 PolarHBondContact N-O 2.92Å; T225-H230 WeakPolarHBondContact OG1-CB 3.4Å; T225-H230 PolarHBondContact OG1-O 3.4Å
226K94.2Very high96Very high159 Ų15949.1 Ų49.169%0.69123%0.234SC*.THydrogen-bonded Turntrans-65.3-12.3-179.8-62.5-177.2-177.5179.40114.2G228 D289K226-G228 PolarHBondContact O-N 3.03Å; K226-D289 HydrophobicContact CD-CB 4.4Å; K226-D289 PolarHBondContact NZ-O 3.1Å
227D93.8Very high96.2Very high39 Ų3948.8 Ų48.821%0.20923%0.231CC..THydrogen-bonded Turntrans-78.5-7.9175.370.827.8000113.1I172 K173 T225 V229 H230I172-D227 CarbonylContact C-O 3.51Å; I172-D227 WeakPolarHBondContact CA-O 3.4Å; K173-D227 HydrophobicContact CB-CB 4.21Å; K173-D227 PolarHBondContact N-O 2.8Å; T225-D227 PolarHBondContact O-N 3.49Å; T225-D227 VanDerWaalsContact O-N 3.11Å; T225-D227 PolarHBondContact OG1-OD1 3.5Å; T225-D227 PolarHBondContact OG1-OD2 2.81Å; D227-V229 VanDerWaalsContact C-N 3.28Å; D227-V229 PolarHBondContact O-N 2.79Å; D227-V229 PolarHBondContact OD1-N 2.83Å; D227-H230 PolarHBondContact OD1-N 2.87Å; D227-H230 IonicContact OD1-ND1 2.77Å; D227-H230 PolarHBondContact OD1-ND1 3.11Å; D227-H230 IonicContact OD2-CE1 3.7Å; D227-H230 IonicContact OD2-CG 2.84Å; D227-H230 IonicContact OD2-ND1 2.73Å; D227-H230 PolarHBondContact OD2-ND1 2.67Å
228G95Very high96.2Very high4 Ų452.5 Ų52.54%0.04125%0.246CC..SBendtrans77.65.7175.700000114.9L168 G169 R171 T225 K226L168-G228 CarbonylContact C-O 3.59Å; L168-G228 WeakPolarHBondContact CA-O 3.41Å; G169-G228 PolarHBondContact N-O 3.08Å; R171-G228 WeakPolarHBondContact O-CA 3.48Å; T225-G228 PolarHBondContact O-N 3.24Å; T225-G228 VanDerWaalsContact O-N 3.1Å; K226-G228 PolarHBondContact O-N 3.03Å
229V94.9Very high96.4Very high10 Ų1048.2 Ų48.26%0.06123%0.229CC..SBendtrans-129-47.5-177.2-176.60000111.9L168 I172 F176 D227 W231L168-V229 HydrophobicContact CD2-CG1 4.33Å; L168-V229 HydrophobicContact CD2-CG2 4.34Å; I172-V229 HydrophobicContact CB-CG2 4.49Å; I172-V229 HydrophobicContact CG1-CG2 4.44Å; I172-V229 HydrophobicContact CG2-CG2 3.67Å; F176-V229 HydrophobicContact CE1-CG1 4.46Å; F176-V229 HydrophobicContact CE1-CG2 3.92Å; F176-V229 HydrophobicContact CZ-CG2 4.28Å; D227-V229 VanDerWaalsContact C-N 3.28Å; D227-V229 PolarHBondContact O-N 2.79Å; D227-V229 PolarHBondContact OD1-N 2.83Å; V229-W231 PolarHBondContact O-NE1 2.99Å
230H96.4Very high96.6Very high50 Ų5040.7 Ų40.723%0.23120%0.197CC..  trans-83.5164.5-176.3-59.195.4000112.5S25 I26 R224 T225 D227S25-H230 PolarHBondContact OG-NE2 2.82Å; I26-H230 HydrophobicContact CD1-CB 4.45Å; R224-H230 WeakPolarHBondContact CA-O 3.41Å; R224-H230 WeakPolarHBondContact CG-O 3.47Å; T225-H230 HydrophobicContact CG2-CB 4.03Å; T225-H230 PolarHBondContact N-O 2.92Å; T225-H230 WeakPolarHBondContact OG1-CB 3.4Å; T225-H230 PolarHBondContact OG1-O 3.4Å; D227-H230 PolarHBondContact OD1-N 2.87Å; D227-H230 IonicContact OD1-ND1 2.77Å; D227-H230 PolarHBondContact OD1-ND1 3.11Å; D227-H230 IonicContact OD2-CE1 3.7Å; D227-H230 IonicContact OD2-CG 2.84Å; D227-H230 IonicContact OD2-ND1 2.73Å; D227-H230 PolarHBondContact OD2-ND1 2.67Å
231W97.6Very high96.6Very high5 Ų540.3 Ų40.32%0.01919%0.194CC..BIsolated β-bridgetrans-132.6154.1-176.1-67.175.7000110.6M166 F217 S220 L221 H223 R224 V229 A235 H236M166-W231 HydrophobicContact CB-CZ2 4.1Å; M166-W231 HydrophobicContact CE-CD2 3.31Å; M166-W231 HydrophobicContact CE-CE3 3.59Å; M166-W231 HydrophobicContact CE-CG 3.76Å; M166-W231 HydrophobicContact CE-CH2 3.98Å; M166-W231 HydrophobicContact CE-CZ2 3.75Å; M166-W231 HydrophobicContact CE-CZ3 3.9Å; M166-W231 HydrophobicContact SD-CD2 4.04Å; M166-W231 HydrophobicContact SD-CG 3.91Å; F217-W231 HydrophobicContact CB-CH2 3.74Å; F217-W231 HydrophobicContact CB-CZ2 4.4Å; F217-W231 HydrophobicContact CB-CZ3 4.03Å; F217-W231 HydrophobicContact CD1-CE3 4.17Å; F217-W231 HydrophobicContact CD1-CH2 4.38Å; F217-W231 AromaticContact CD1-CZ3 3.81Å; F217-W231 HydrophobicContact CD1-CZ3 3.81Å; F217-W231 HydrophobicContact CG-CH2 4.48Å; F217-W231 HydrophobicContact CG-CZ3 4.34Å; S220-W231 VanDerWaalsContact O-CZ3 3.3Å; S220-W231 WeakPolarHBondContact O-CZ3 3.43Å; L221-W231 HydrophobicContact CD2-CH2 4.08Å; H223-W231 HydrophobicContact CB-CE3 4.01Å; H223-W231 HydrophobicContact CB-CZ3 4.27Å; H223-W231 WeakPolarHBondContact O-CA 3.35Å; R224-W231 HydrophobicContact CB-CD2 3.98Å; R224-W231 HydrophobicContact CB-CE3 4.06Å; R224-W231 HydrophobicContact CB-CH2 4.08Å; R224-W231 HydrophobicContact CB-CZ2 3.96Å; R224-W231 HydrophobicContact CB-CZ3 4.13Å; R224-W231 HydrophobicContact CG-CD2 4.26Å; R224-W231 HydrophobicContact CG-CZ2 4.1Å; V229-W231 PolarHBondContact O-NE1 2.99Å; W231-A235 HydrophobicContact CB-CB 3.78Å; W231-A235 HydrophobicContact CD2-CB 4.35Å; W231-A235 HydrophobicContact CE3-CB 3.75Å; W231-A235 HydrophobicContact CG-CB 4.41Å; W231-H236 PolarHBondContact O-CD2 2.78Å; W231-H236 PolarHBondContact O-NE2 2.72Å
232N97.8Very high96.7Very high49 Ų4937.5 Ų37.526%0.26218%0.179SC..  trans-78.1176.8-178.276.111.3000112.4H223 I234 A235 H236H223-N232 PolarHBondContact ND1-ND2 3.35Å; H223-N232 PolarHBondContact O-N 2.95Å; N232-I234 VanDerWaalsContact C-N 3.27Å; N232-I234 PolarHBondContact O-N 2.7Å; N232-I234 WeakPolarHBondContact OD1-CB 3.36Å; N232-I234 PolarHBondContact OD1-N 3.13Å; N232-I234 VanDerWaalsContact OD1-N 3.08Å; N232-A235 PolarHBondContact O-N 3.44Å; N232-A235 PolarHBondContact OD1-N 3.21Å; N232-H236 PolarHBondContact O-CD2 3.1Å; N232-H236 VanDerWaalsContact O-CD2 3.31Å; N232-H236 PolarHBondContact O-N 2.9Å
233A97.6Very high96.8Very high15 Ų1531.5 Ų31.512%0.12415%0.152CC..Hα-helixtrans-62.7-31.3-177.100000113.6Y43 L44 L49 H236 R237Y43-A233 HydrophobicContact CD1-CB 4.32Å; L44-A233 HydrophobicContact CB-CB 4.21Å; L44-A233 WeakPolarHBondContact O-CB 3.48Å; L49-A233 HydrophobicContact CD1-CB 4.05Å; A233-H236 PolarHBondContact O-N 2.82Å; A233-R237 PolarHBondContact O-N 3.49Å
234I97.1Very high96.8Very high71 Ų7129.6 Ų29.636%0.36414%0.143SC..Hα-helixtrans-65.1-45.4178.7-59.9173.6000109.7N232 R237 R238N232-I234 VanDerWaalsContact C-N 3.27Å; N232-I234 PolarHBondContact O-N 2.7Å; N232-I234 WeakPolarHBondContact OD1-CB 3.36Å; N232-I234 PolarHBondContact OD1-N 3.13Å; N232-I234 VanDerWaalsContact OD1-N 3.08Å; I234-R237 PolarHBondContact O-N 3.42Å; I234-R238 PolarHBondContact O-N 2.91Å
235A97.8Very high96.7Very high1 Ų130.3 Ų30.31%0.00815%0.146CC..Hα-helixtrans-62.5-44.9176.800000111.7F217 H223 W231 N232 R237 R238 I239F217-A235 HydrophobicContact CD1-CB 4.36Å; F217-A235 HydrophobicContact CE1-CB 3.79Å; H223-A235 HydrophobicContact CB-CB 4.03Å; W231-A235 HydrophobicContact CB-CB 3.78Å; W231-A235 HydrophobicContact CD2-CB 4.35Å; W231-A235 HydrophobicContact CE3-CB 3.75Å; W231-A235 HydrophobicContact CG-CB 4.41Å; N232-A235 PolarHBondContact O-N 3.44Å; N232-A235 PolarHBondContact OD1-N 3.21Å; A235-R237 PolarHBondContact O-N 3.06Å; A235-R238 WeakPolarHBondContact O-CB 3.15Å; A235-R238 PolarHBondContact O-N 3.41Å; A235-R238 VanDerWaalsContact O-N 3.15Å; A235-I239 WeakPolarHBondContact O-CG1 3.27Å; A235-I239 PolarHBondContact O-N 3.13Å
236H98.2Very high96.6Very high2 Ų228.2 Ų28.21%0.00913%0.132CC..Hα-helixtrans-62.6-42.3177.8-76.5-65.3000112.9I26 S29 D33 W231 N232 A233 R238 I239 T240I26-H236 PolarHBondContact O-CE1 3.46Å; S29-H236 WeakPolarHBondContact CB-CE1 2.99Å; S29-H236 WeakPolarHBondContact CB-ND1 3.21Å; S29-H236 VanDerWaalsContact CB-NE2 3.29Å; S29-H236 WeakPolarHBondContact CB-NE2 3.38Å; D33-H236 HydrophobicContact CB-CB 4.34Å; W231-H236 PolarHBondContact O-CD2 2.78Å; W231-H236 PolarHBondContact O-NE2 2.72Å; N232-H236 PolarHBondContact O-CD2 3.1Å; N232-H236 VanDerWaalsContact O-CD2 3.31Å; N232-H236 PolarHBondContact O-N 2.9Å; A233-H236 PolarHBondContact O-N 2.82Å; H236-R238 VanDerWaalsContact C-N 3.28Å; H236-R238 PolarHBondContact O-N 3.47Å; H236-I239 WeakPolarHBondContact O-CB 3.33Å; H236-I239 PolarHBondContact O-N 2.95Å; H236-I239 VanDerWaalsContact O-N 3.15Å; H236-T240 PolarHBondContact O-N 3.24Å; H236-T240 PolarHBondContact O-OG1 3.45Å; H236-T240 VanDerWaalsContact O-OG1 3.13Å
237R97.9Very high96.7Very high8 Ų820.8 Ų20.83%0.0310%0.1CC..Hα-helixtrans-60.5-38.2173.1-179.750.45198.26.1112.4D33 L37 R42 Y43 A233 I234 A235 T240 A241D33-R237 WeakPolarHBondContact OD1-CA 3.24Å; D33-R237 IonicContact OD1-CZ 3.8Å; D33-R237 IonicContact OD1-NE 3.65Å; D33-R237 PolarHBondContact OD1-NE 3.5Å; D33-R237 IonicContact OD1-NH2 3.87Å; D33-R237 IonicContact OD2-CZ 3.74Å; D33-R237 IonicContact OD2-NE 3.38Å; D33-R237 PolarHBondContact OD2-NE 2.83Å; D33-R237 VanDerWaalsContact OD2-NE 3.11Å; D33-R237 IonicContact OD2-NH2 2.86Å; D33-R237 PolarHBondContact OD2-NH2 3.15Å; L37-R237 VanDerWaalsContact CD1-NH1 3.33Å; R42-R237 PolarHBondContact O-NH2 2.94Å; Y43-R237 HydrophobicContact CD1-CB 3.76Å; Y43-R237 HydrophobicContact CD1-CG 4.2Å; Y43-R237 HydrophobicContact CE1-CB 3.39Å; Y43-R237 HydrophobicContact CE1-CG 3.56Å; A233-R237 PolarHBondContact O-N 3.49Å; I234-R237 PolarHBondContact O-N 3.42Å; A235-R237 PolarHBondContact O-N 3.06Å; R237-T240 PolarHBondContact O-N 3.26Å; R237-A241 WeakPolarHBondContact O-CB 3.36Å; R237-A241 PolarHBondContact O-N 3.41Å
238R97.3Very high96.8Very high80 Ų8019 Ų1930%0.3029%0.091SC..Hα-helixtrans-65.4-39.6175.4-176.2173.4177.4172.2-1.3112F217 S220 I234 A235 H236 A241 L242F217-R238 HydrophobicContact CE1-CB 4.29Å; F217-R238 HydrophobicContact CE1-CG 4.36Å; F217-R238 HydrophobicContact CZ-CB 3.95Å; F217-R238 HydrophobicContact CZ-CG 3.88Å; S220-R238 PolarHBondContact OG-NH1 3.48Å; I234-R238 PolarHBondContact O-N 2.91Å; A235-R238 WeakPolarHBondContact O-CB 3.15Å; A235-R238 PolarHBondContact O-N 3.41Å; A235-R238 VanDerWaalsContact O-N 3.15Å; H236-R238 VanDerWaalsContact C-N 3.28Å; H236-R238 PolarHBondContact O-N 3.47Å; R238-A241 PolarHBondContact O-N 3.09Å; R238-L242 HydrophobicContact CG-CD1 4.4Å; R238-L242 VanDerWaalsContact O-CG 3.3Å; R238-L242 WeakPolarHBondContact O-CG 3.46Å; R238-L242 PolarHBondContact O-N 3.24Å
239I97.9Very high96.6Very high0 Ų021.3 Ų21.30%010%0.101CC..Hα-helixtrans-60-49.8173-61.2167.1000109.9V30 M166 L213 F217 A235 H236 A241 L242 L243V30-I239 HydrophobicContact CG1-CG2 4.37Å; V30-I239 HydrophobicContact CG2-CB 4.32Å; V30-I239 HydrophobicContact CG2-CD1 4.22Å; V30-I239 HydrophobicContact CG2-CG2 3.72Å; M166-I239 HydrophobicContact CE-CD1 4.21Å; M166-I239 HydrophobicContact SD-CD1 3.67Å; L213-I239 HydrophobicContact CD1-CD1 4.39Å; L213-I239 HydrophobicContact CD1-CG1 4.45Å; L213-I239 HydrophobicContact CD1-CG2 4.15Å; L213-I239 HydrophobicContact CD2-CG1 4.19Å; L213-I239 HydrophobicContact CD2-CG2 4.11Å; F217-I239 HydrophobicContact CE2-CG1 3.74Å; F217-I239 HydrophobicContact CZ-CD1 4.42Å; F217-I239 HydrophobicContact CZ-CG1 3.56Å; A235-I239 WeakPolarHBondContact O-CG1 3.27Å; A235-I239 PolarHBondContact O-N 3.13Å; H236-I239 WeakPolarHBondContact O-CB 3.33Å; H236-I239 PolarHBondContact O-N 2.95Å; H236-I239 VanDerWaalsContact O-N 3.15Å; I239-A241 VanDerWaalsContact C-N 3.32Å; I239-A241 PolarHBondContact O-N 3.37Å; I239-L242 WeakPolarHBondContact O-CB 3.34Å; I239-L242 PolarHBondContact O-N 3.45Å; I239-L242 VanDerWaalsContact O-N 3.17Å; I239-L243 HydrophobicContact CG2-CD1 3.88Å; I239-L243 HydrophobicContact CG2-CG 4.42Å; I239-L243 WeakPolarHBondContact O-CG 3.48Å; I239-L243 PolarHBondContact O-N 2.78Å
240T98.2Very high96.4Very high2 Ų221.3 Ų21.31%0.01210%0.102CC..Hα-helixtrans-58.1-43.3177.6-54.80000112D33 L34 L37 H236 R237 L242 L243 L244D33-T240 WeakPolarHBondContact OD1-CB 3.39Å; D33-T240 PolarHBondContact OD1-OG1 3.37Å; L34-T240 HydrophobicContact CB-CG2 4.24Å; L34-T240 HydrophobicContact CD1-CG2 3.81Å; L37-T240 HydrophobicContact CD2-CG2 3.77Å; H236-T240 PolarHBondContact O-N 3.24Å; H236-T240 PolarHBondContact O-OG1 3.45Å; H236-T240 VanDerWaalsContact O-OG1 3.13Å; R237-T240 PolarHBondContact O-N 3.26Å; T240-L242 PolarHBondContact O-N 3.17Å; T240-L243 PolarHBondContact O-N 3.44Å; T240-L244 HydrophobicContact CG2-CD1 3.98Å; T240-L244 HydrophobicContact CG2-CG 4.33Å; T240-L244 WeakPolarHBondContact O-CB 3.06Å; T240-L244 VanDerWaalsContact O-CG 3.32Å; T240-L244 WeakPolarHBondContact O-CG 3.45Å; T240-L244 PolarHBondContact O-N 3.1Å
241A96.8Very high96.3Very high3 Ų320.2 Ų20.23%0.02510%0.095CC..Hα-helixtrans-64.5-38.2177.600000112.7A5 R237 R238 I239 R245A5-A241 HydrophobicContact CB-CB 4.28Å; R237-A241 WeakPolarHBondContact O-CB 3.36Å; R237-A241 PolarHBondContact O-N 3.41Å; R238-A241 PolarHBondContact O-N 3.09Å; I239-A241 VanDerWaalsContact C-N 3.32Å; I239-A241 PolarHBondContact O-N 3.37Å; A241-R245 VanDerWaalsContact O-CB 3.31Å; A241-R245 WeakPolarHBondContact O-CB 3.43Å; A241-R245 PolarHBondContact O-N 2.98Å
242L96.6Very high96Very high14 Ų1422.3 Ų22.37%0.07312%0.119CC..Hα-helixtrans-64-44.5173.8-72.4166.5000111.4L211 L213 Q216 F217 R238 I239 T240 R245 H246L211-L242 HydrophobicContact CD1-CB 4.22Å; L211-L242 HydrophobicContact CD2-CB 4.15Å; L213-L242 HydrophobicContact CD2-CD1 4.48Å; Q216-L242 HydrophobicContact CB-CD1 4.22Å; Q216-L242 HydrophobicContact CG-CD1 3.89Å; F217-L242 HydrophobicContact CE2-CD1 4.26Å; R238-L242 HydrophobicContact CG-CD1 4.4Å; R238-L242 VanDerWaalsContact O-CG 3.3Å; R238-L242 WeakPolarHBondContact O-CG 3.46Å; R238-L242 PolarHBondContact O-N 3.24Å; I239-L242 WeakPolarHBondContact O-CB 3.34Å; I239-L242 PolarHBondContact O-N 3.45Å; I239-L242 VanDerWaalsContact O-N 3.17Å; T240-L242 PolarHBondContact O-N 3.17Å; L242-R245 PolarHBondContact O-N 3.14Å; L242-H246 WeakPolarHBondContact O-CB 3.21Å; L242-H246 PolarHBondContact O-N 3.4Å
243L97.9Very high95.6Very high7 Ų721.2 Ų21.24%0.03711%0.114CC..Hα-helixtrans-62-51176.9-71.8165.8000111.6V30 I120 I161 L211 I239 T240 R245 H246 I247V30-L243 HydrophobicContact CG1-CD1 3.67Å; I120-L243 HydrophobicContact CD1-CD1 4.11Å; I120-L243 HydrophobicContact CD1-CD2 4.17Å; I120-L243 HydrophobicContact CG1-CD2 4.12Å; I120-L243 HydrophobicContact CG2-CD1 4.29Å; I120-L243 HydrophobicContact CG2-CD2 4.01Å; I161-L243 HydrophobicContact CD1-CD2 4.17Å; I161-L243 HydrophobicContact CG2-CD2 4.07Å; L211-L243 HydrophobicContact CD2-CD2 3.64Å; L211-L243 HydrophobicContact CD2-CG 3.9Å; I239-L243 HydrophobicContact CG2-CD1 3.88Å; I239-L243 HydrophobicContact CG2-CG 4.42Å; I239-L243 WeakPolarHBondContact O-CG 3.48Å; I239-L243 PolarHBondContact O-N 2.78Å; T240-L243 PolarHBondContact O-N 3.44Å; L243-R245 VanDerWaalsContact C-N 3.32Å; L243-R245 PolarHBondContact O-N 3.25Å; L243-H246 PolarHBondContact O-N 3.34Å; L243-H246 VanDerWaalsContact O-N 3.15Å; L243-I247 WeakPolarHBondContact O-CB 3.47Å; L243-I247 WeakPolarHBondContact O-CD1 3.31Å; L243-I247 WeakPolarHBondContact O-CG1 3.33Å; L243-I247 PolarHBondContact O-N 2.94Å
244L97.3Very high94.8Very high2 Ų226.5 Ų26.51%0.0114%0.138CC..Hα-helixtrans-60.7-41.2179.1-69.5172.5000111.8A5 A10 L13 L14 L34 L37 T240 H246 I247 A248A5-L244 HydrophobicContact CB-CB 4.49Å; A5-L244 HydrophobicContact CB-CD1 3.66Å; A10-L244 HydrophobicContact CB-CD1 3.66Å; A10-L244 HydrophobicContact CB-CD2 4.3Å; L13-L244 HydrophobicContact CD2-CB 4.22Å; L13-L244 HydrophobicContact CD2-CD2 3.94Å; L13-L244 VanDerWaalsContact CD2-O 3.27Å; L13-L244 WeakPolarHBondContact CD2-O 3.08Å; L14-L244 HydrophobicContact CD1-CD2 3.88Å; L14-L244 HydrophobicContact CD2-CD2 4.47Å; L14-L244 HydrophobicContact CG-CD2 4.14Å; L34-L244 HydrophobicContact CD1-CD2 4.09Å; L37-L244 HydrophobicContact CD2-CD1 3.71Å; T240-L244 HydrophobicContact CG2-CD1 3.98Å; T240-L244 HydrophobicContact CG2-CG 4.33Å; T240-L244 WeakPolarHBondContact O-CB 3.06Å; T240-L244 VanDerWaalsContact O-CG 3.32Å; T240-L244 WeakPolarHBondContact O-CG 3.45Å; T240-L244 PolarHBondContact O-N 3.1Å; L244-H246 VanDerWaalsContact C-N 3.34Å; L244-H246 PolarHBondContact O-N 3.25Å; L244-I247 PolarHBondContact O-N 3.01Å; L244-A248 WeakPolarHBondContact O-CB 3.26Å; L244-A248 PolarHBondContact O-N 2.94Å
245R94.1Very high93.8Very high70 Ų7025.5 Ų25.526%0.26413%0.133SC..Hα-helixtrans-61.8-44.5175.2-172.5-177.6-56.2148.58.1111.7A241 L242 L243 Q249 L255A241-R245 VanDerWaalsContact O-CB 3.31Å; A241-R245 WeakPolarHBondContact O-CB 3.43Å; A241-R245 PolarHBondContact O-N 2.98Å; L242-R245 PolarHBondContact O-N 3.14Å; L243-R245 VanDerWaalsContact C-N 3.32Å; L243-R245 PolarHBondContact O-N 3.25Å; R245-Q249 WeakPolarHBondContact O-CB 3.48Å; R245-Q249 WeakPolarHBondContact O-CG 2.93Å; R245-Q249 PolarHBondContact O-N 3.15Å; R245-L255 HydrophobicContact CB-CD1 4.25Å
246H94.7Very high92.1Very high1 Ų129.6 Ų29.61%0.00516%0.158CC..Hα-helixtrans-65.1-44.3178.617747000111.9D209 L242 L243 L244 A248 Q249 A250 V367D209-H246 WeakPolarHBondContact CB-NE2 3.43Å; D209-H246 IonicContact OD2-CE1 2.72Å; D209-H246 PolarHBondContact OD2-CE1 3.45Å; D209-H246 IonicContact OD2-NE2 3.54Å; D209-H246 PolarHBondContact OD2-NE2 3.32Å; D209-H246 VanDerWaalsContact OD2-NE2 3.15Å; L242-H246 WeakPolarHBondContact O-CB 3.21Å; L242-H246 PolarHBondContact O-N 3.4Å; L243-H246 PolarHBondContact O-N 3.34Å; L243-H246 VanDerWaalsContact O-N 3.15Å; L244-H246 VanDerWaalsContact C-N 3.34Å; L244-H246 PolarHBondContact O-N 3.25Å; H246-A248 PolarHBondContact O-N 3.35Å; H246-Q249 PolarHBondContact O-N 3.38Å; H246-A250 WeakPolarHBondContact O-CB 3.48Å; H246-A250 PolarHBondContact O-N 3.41Å; H246-V367 HydrophobicContact CB-CG2 4.24Å; H246-V367 VanDerWaalsContact CE1-CG1 3.43Å; H246-V367 WeakPolarHBondContact CE1-CG1 3.47Å
247I96.7Very high90Very high4 Ų432.8 Ų32.82%0.02118%0.184CC..Hα-helixtrans-58.4-50176-67.9162.9000110.7L13 L14 V118 L159 I161 L243 L244 Q249 A250 W251L13-I247 HydrophobicContact CD1-CG2 4.42Å; L13-I247 HydrophobicContact CD2-CB 4.13Å; L13-I247 HydrophobicContact CD2-CG2 3.92Å; L13-I247 HydrophobicContact CG-CG2 4.22Å; L14-I247 HydrophobicContact CD2-CD1 4.48Å; L14-I247 HydrophobicContact CD2-CG2 4.41Å; V118-I247 HydrophobicContact CG1-CD1 4.06Å; V118-I247 HydrophobicContact CG1-CG1 4.22Å; V118-I247 HydrophobicContact CG2-CD1 4.39Å; V118-I247 HydrophobicContact CG2-CG1 4.41Å; V118-I247 HydrophobicContact CG2-CG2 4.36Å; L159-I247 HydrophobicContact CD2-CB 4.29Å; L159-I247 HydrophobicContact CD2-CG1 3.9Å; I161-I247 HydrophobicContact CD1-CG1 3.96Å; L243-I247 WeakPolarHBondContact O-CB 3.47Å; L243-I247 WeakPolarHBondContact O-CD1 3.31Å; L243-I247 WeakPolarHBondContact O-CG1 3.33Å; L243-I247 PolarHBondContact O-N 2.94Å; L244-I247 PolarHBondContact O-N 3.01Å; I247-Q249 VanDerWaalsContact C-N 3.3Å; I247-Q249 PolarHBondContact O-N 3.37Å; I247-A250 PolarHBondContact O-N 3.1Å; I247-A250 VanDerWaalsContact O-N 3.17Å; I247-W251 HydrophobicContact CG2-CD2 3.89Å; I247-W251 HydrophobicContact CG2-CE3 3.53Å; I247-W251 HydrophobicContact CG2-CH2 3.46Å; I247-W251 VanDerWaalsContact CG2-CH2 3.46Å; I247-W251 HydrophobicContact CG2-CZ2 3.84Å; I247-W251 HydrophobicContact CG2-CZ3 3.28Å; I247-W251 PolarHBondContact O-N 2.83Å
248A94.6Very high87.6Confident1 Ų136 Ų361%0.00820%0.202CC..Hα-helixtrans-57.5-45.6178.700000111.7L13 L244 H246 A250 W251 G252 V253 L255L13-A248 HydrophobicContact CD1-CB 3.77Å; L13-A248 HydrophobicContact CD2-CB 3.96Å; L244-A248 WeakPolarHBondContact O-CB 3.26Å; L244-A248 PolarHBondContact O-N 2.94Å; H246-A248 PolarHBondContact O-N 3.35Å; A248-A250 PolarHBondContact O-N 2.59Å; A248-W251 CarbonylContact O-C 3.58Å; A248-W251 PolarHBondContact O-N 2.86Å; A248-G252 PolarHBondContact O-N 2.86Å; A248-G252 VanDerWaalsContact O-N 3.08Å; A248-V253 CarbonylContact C-O 3.57Å; A248-V253 WeakPolarHBondContact CB-O 3.25Å; A248-V253 PolarHBondContact O-N 3.35Å; A248-L255 HydrophobicContact CB-CD1 3.82Å; A248-L255 HydrophobicContact CB-CD2 4.16Å; A248-L255 HydrophobicContact CB-CG 3.56Å
249Q90.9Very high84.8Confident53 Ų5341.1 Ų41.125%0.24823%0.229CC..Hα-helixtrans-65.2-39.5176.8-70.4172.6-14.800113.7R245 H246 I247 W251 G252 H364R245-Q249 WeakPolarHBondContact O-CB 3.48Å; R245-Q249 WeakPolarHBondContact O-CG 2.93Å; R245-Q249 PolarHBondContact O-N 3.15Å; H246-Q249 PolarHBondContact O-N 3.38Å; I247-Q249 VanDerWaalsContact C-N 3.3Å; I247-Q249 PolarHBondContact O-N 3.37Å; Q249-W251 PolarHBondContact O-N 3.29Å; Q249-G252 PolarHBondContact O-N 3.07Å; Q249-G252 VanDerWaalsContact O-N 3.08Å; Q249-H364 PolarHBondContact NE2-CD2 2.82Å
250A91.8Very high81.9Confident10 Ų1046.6 Ų46.68%0.08326%0.263CS..Hα-helixtrans-63.6-30.717800000111.6L159 H246 I247 A248L159-A250 HydrophobicContact CD1-CB 4Å; L159-A250 HydrophobicContact CD2-CB 3.72Å; L159-A250 HydrophobicContact CG-CB 4.5Å; H246-A250 WeakPolarHBondContact O-CB 3.48Å; H246-A250 PolarHBondContact O-N 3.41Å; I247-A250 PolarHBondContact O-N 3.1Å; I247-A250 VanDerWaalsContact O-N 3.17Å; A248-A250 PolarHBondContact O-N 2.59Å
251W94Very high78.8Confident26 Ų2651.8 Ų51.810%0.09830%0.296CS..THydrogen-bonded Turntrans-89.71.2174.1-64.1-22.9000114.4L13 L14 K17 D117 V118 I247 A248 Q249 V253L13-W251 HydrophobicContact CD1-CE3 3.69Å; L13-W251 HydrophobicContact CD1-CZ3 3.93Å; L13-W251 HydrophobicContact CG-CE3 4.31Å; L13-W251 HydrophobicContact CG-CZ3 4.04Å; L13-W251 VanDerWaalsContact O-CZ3 3.31Å; L13-W251 WeakPolarHBondContact O-CZ3 3.25Å; L14-W251 HydrophobicContact CD2-CH2 4.25Å; L14-W251 HydrophobicContact CD2-CZ3 4.31Å; K17-W251 HydrophobicContact CB-CH2 4.44Å; K17-W251 HydrophobicContact CD-CH2 3.85Å; K17-W251 HydrophobicContact CD-CZ2 4.3Å; K17-W251 HydrophobicContact CD-CZ3 4.41Å; K17-W251 HydrophobicContact CG-CH2 3.76Å; K17-W251 HydrophobicContact CG-CZ3 4.16Å; D117-W251 HydrophobicContact CB-CZ2 4.29Å; V118-W251 HydrophobicContact CG2-CH2 3.8Å; V118-W251 HydrophobicContact CG2-CZ2 3.53Å; I247-W251 HydrophobicContact CG2-CD2 3.89Å; I247-W251 HydrophobicContact CG2-CE3 3.53Å; I247-W251 HydrophobicContact CG2-CH2 3.46Å; I247-W251 VanDerWaalsContact CG2-CH2 3.46Å; I247-W251 HydrophobicContact CG2-CZ2 3.84Å; I247-W251 HydrophobicContact CG2-CZ3 3.28Å; I247-W251 PolarHBondContact O-N 2.83Å; A248-W251 CarbonylContact O-C 3.58Å; A248-W251 PolarHBondContact O-N 2.86Å; Q249-W251 PolarHBondContact O-N 3.29Å; W251-V253 VanDerWaalsContact C-N 3.26Å; W251-V253 HydrophobicContact CB-CG2 4.12Å; W251-V253 PolarHBondContact O-N 3.2Å
252G91.1Very high75.8Confident50 Ų5060.5 Ų60.552%0.51534%0.336SS..THydrogen-bonded Turntrans6824.3-179.200000113.9A248 Q249A248-G252 PolarHBondContact O-N 2.86Å; A248-G252 VanDerWaalsContact O-N 3.08Å; Q249-G252 PolarHBondContact O-N 3.07Å; Q249-G252 VanDerWaalsContact O-N 3.08Å
253V89.1Confident72.8Confident26 Ų2668.7 Ų68.716%0.15838%0.375CS..  trans-106.1133.3-177.3-176.70000109.9A248 W251 F352A248-V253 CarbonylContact C-O 3.57Å; A248-V253 WeakPolarHBondContact CB-O 3.25Å; A248-V253 PolarHBondContact O-N 3.35Å; W251-V253 VanDerWaalsContact C-N 3.26Å; W251-V253 HydrophobicContact CB-CG2 4.12Å; W251-V253 PolarHBondContact O-N 3.2Å; V253-F352 HydrophobicContact CG1-CD1 3.68Å; V253-F352 HydrophobicContact CG1-CE1 3.11Å; V253-F352 HydrophobicContact CG1-CE2 4.41Å; V253-F352 HydrophobicContact CG1-CZ 3.53Å
254M81.6Confident69.6Low126 Ų12677.4 Ų77.462%0.62141%0.412SS*.  trans-79.6127.5173.2-69.8-64-75.100110.4T256M254-T256 HydrophobicContact CB-CG2 4.44Å; M254-T256 PolarHBondContact O-N 2.82Å
255L75.6Confident66.5Low50 Ų5082.3 Ų82.326%0.26245%0.446SS..  trans-74.481.6163.9-73.2167.6000107.9Q9 L13 R245 A248 A257Q9-L255 HydrophobicContact CB-CD2 3.96Å; Q9-L255 HydrophobicContact CG-CD2 4.28Å; L13-L255 HydrophobicContact CB-CD2 4.49Å; L13-L255 HydrophobicContact CD2-CD2 4.26Å; R245-L255 HydrophobicContact CB-CD1 4.25Å; A248-L255 HydrophobicContact CB-CD1 3.82Å; A248-L255 HydrophobicContact CB-CD2 4.16Å; A248-L255 HydrophobicContact CB-CG 3.56Å; L255-A257 PolarHBondContact O-N 2.78Å
256T62.8Low63.5Low87 Ų8786.4 Ų86.453%0.53447%0.472SS..  trans-57.5125.3175.353.60000108.3Q9 M254Q9-T256 PolarHBondContact NE2-O 2.75Å; M254-T256 HydrophobicContact CB-CG2 4.44Å; M254-T256 PolarHBondContact O-N 2.82Å
257A53.4Low60.3Low68 Ų6896 Ų9656%0.56251%0.509SS*.  trans-65.8135.8159.900000106.1L255 E259L255-A257 PolarHBondContact O-N 2.78Å; A257-E259 PolarHBondContact O-N 2.75Å
258D48.2Very low57Low77 Ų77103 Ų10341%0.41255%0.547SS..  trans-43.7118-179.8-59.5-50.1000110.3V260D258-V260 VanDerWaalsContact C-N 3.27Å; D258-V260 PolarHBondContact O-N 3.21Å
259E37.4Very low53.8Low186 Ų186108.7 Ų108.787%0.86959%0.585SS**  trans-62.7101.9155.8-72.6-173.3162.900105.2A257 P261A257-E259 PolarHBondContact O-N 2.75Å; E259-P261 WeakPolarHBondContact O-CD 3.31Å
260V36.7Very low50.7Low116 Ų116110.3 Ų110.370%0.70360%0.603SS**  trans-58.2121.9164.2-177.20000104.9D258 E262D258-V260 VanDerWaalsContact C-N 3.27Å; D258-V260 PolarHBondContact O-N 3.21Å; V260-E262 PolarHBondContact O-N 3.28Å
261P34.1Very low47.9Very low110 Ų110116 Ų11671%0.71464%0.637SS**  trans-56.5119.8171.5-15.327000106.1E259 Q263E259-P261 WeakPolarHBondContact O-CD 3.31Å; P261-Q263 VanDerWaalsContact C-N 3.33Å; P261-Q263 PolarHBondContact O-N 2.98Å
262E33.6Very low44.8Very low186 Ų186123.7 Ų123.787%0.86967%0.671SS**  trans-50.7101.3175.3-79.2-175.2152.300108.5V260 K264V260-E262 PolarHBondContact O-N 3.28Å; E262-K264 PolarHBondContact O-N 2.75Å
263Q33.5Very low41.7Very low187 Ų187131.1 Ų131.187%0.87469%0.689SS**  trans-68.996.6166.6-113.7168.2-17.100105.4P261 S265P261-Q263 VanDerWaalsContact C-N 3.33Å; P261-Q263 PolarHBondContact O-N 2.98Å; Q263-S265 PolarHBondContact O-N 3.23Å; Q263-S265 VanDerWaalsContact O-N 3.08Å
264K29.8Very low38.8Very low189 Ų189135 Ų13582%0.82272%0.724SS**  trans-39.5117.9168-76.2179.3174.7176.80109E262 I266E262-K264 PolarHBondContact O-N 2.75Å; K264-I266 PolarHBondContact O-N 2.95Å; K264-I266 VanDerWaalsContact O-N 3.15Å
265S33.5Very low36.4Very low105 Ų105133.3 Ų133.373%0.73473%0.73SS**  trans-52.4119.1171.665.80000109.7Q263Q263-S265 PolarHBondContact O-N 3.23Å; Q263-S265 VanDerWaalsContact O-N 3.08Å
266I29.6Very low34.2Very low156 Ų156135.6 Ų135.680%0.876%0.756SS**  trans-121.1101.9161.5-61.8-179.2000106K264K264-I266 PolarHBondContact O-N 2.95Å; K264-I266 VanDerWaalsContact O-N 3.15Å
267Y29Very low32.7Very low202 Ų202138.6 Ų138.679%0.79277%0.774SS**  trans6.3123158.3-61.7-86.1000119.3
268D27.1Very low31.4Very low153 Ų153142.7 Ų142.782%0.81879%0.786SS**  54.8104.8114.7-147.86.7000118.3
269C26.5Very low30.6Very low119 Ų119144.3 Ų144.380%0.80480%0.804SS**  trans-155.3103.3138.4-164.20000111.3
270S27.3Very low30.2Very low88 Ų88142.4 Ų142.462%0.61580%0.8SS**  trans61.4107.3136.3-54.50000119.9
271T31.4Very low29.8Very low129 Ų129142.1 Ų142.179%0.79180%0.803SS**  trans-2.7117.7132.739.60000116.6
272K29.1Very low29.6Very low187 Ų187146.4 Ų146.481%0.81381%0.811SS**  171.1122.3117.8-91.7165.1-172.5-178.30108.7
273F26.6Very low29.4Very low207 Ų207147.9 Ų147.991%0.90881%0.808SS**  trans153.475.6143.3-85.9-69.8000108.5
274A28.9Very low29.1Very low106 Ų106147.3 Ų147.388%0.87681%0.806SS**  trans-77.2108.6152.300000107
275A29.8Very low29.3Very low91 Ų91147.2 Ų147.275%0.75281%0.808SS**  trans-177.8129.5148.400000110.2
276A30.9Very low29.4Very low99 Ų99150.6 Ų150.682%0.81881%0.81SS**  trans71.691.4158.400000118.3
277V31Very low29.6Very low150 Ų150149 Ų14991%0.90981%0.807SS**  trans-139.3117137.5-163.80000108.9S279V277-S279 PolarHBondContact O-N 3.38Å
278N26.3Very low29.7Very low153 Ų153144.1 Ų144.182%0.81880%0.803SS**  trans-54.9126.9176.6-84.1-31.9000112D280N278-D280 PolarHBondContact O-N 3.32Å
279S31.2Very low30.3Very low112 Ų112141.4 Ų141.478%0.78379%0.789SS**SBendtrans-87.578.3166.467.30000109.9V277V277-S279 PolarHBondContact O-N 3.38Å
280D28Very low30.6Very low145 Ų145140.1 Ų140.178%0.77578%0.781SS**  trans-1507.8172.4-99.4-25000115.9N278N278-D280 PolarHBondContact O-N 3.32Å
281S28.3Very low30.9Very low111 Ų111144.5 Ų144.578%0.77680%0.796SS**SBendtrans-102.52.2-177.270.50000116.5
282F30.7Very low30.8Very low200 Ų200143 Ų14388%0.87779%0.792SS**SBendtrans-111.68.5-172.9-122.6-92.3000115.4
283R29.7Very low31Very low217 Ų217138.3 Ų138.382%0.81980%0.796SS**SBendtrans-117.5-7.2-168.5-150.3173.1165.3170-4.4115.7
284E27.4Very low31.1Very low174 Ų174132.5 Ų132.581%0.81379%0.786SS**SBendtrans-99.9-10.8-172.3-72.4-165.5146.700116.2F286E284-F286 PolarHBondContact O-N 2.76Å
285E32.4Very low31.7Very low187 Ų187133.9 Ų133.987%0.87477%0.773SS**THydrogen-bonded Turntrans-87.9-3.9-175.5-136.8-178.6-174.600114.9
286F37.2Very low32.1Very low177 Ų177133 Ų13378%0.77676%0.755SS**THydrogen-bonded Turntrans-107.12.4-175.6-81.3-81.2000115.4E284E284-F286 PolarHBondContact O-N 2.76Å
287T32.5Very low32.4Very low121 Ų121132 Ų13274%0.74274%0.742SS**  trans-131.623.3-17054.50000116.4
288S31.9Very low32.7Very low101 Ų101129.2 Ų129.271%0.70672%0.718SS**  trans-114.487.7173-1690000112.3
289D39.1Very low33.1Very low96 Ų96129.8 Ų129.851%0.51372%0.716SS.*  trans-111.663.8169.8-101.5-8.5000109.8K226K226-D289 HydrophobicContact CD-CB 4.4Å; K226-D289 PolarHBondContact NZ-O 3.1Å
290S33.8Very low33.3Very low92 Ų92129.8 Ų129.864%0.64371%0.707SS**  trans-124.9124.3177-540000111
291L33.2Very low33.5Very low179 Ų179132.8 Ų132.894%0.93771%0.713SS**  trans83.8140.2168.9-45.4172.4000116.3
292S29.4Very low33.6Very low99 Ų99137 Ų13769%0.69271%0.712SS**  cis-143.7162.4-12.687.90000109.2A294S292-A294 VanDerWaalsContact C-N 3.31Å; S292-A294 PolarHBondContact O-N 2.82Å
293G32Very low33.6Very low88 Ų88136.2 Ų136.291%0.90771%0.711SS**SBendtrans-74.127.9-16600000119.2F295G293-F295 VanDerWaalsContact C-N 3.28Å; G293-F295 PolarHBondContact O-N 3.42Å
294A29.5Very low33.6Very low85 Ų85132 Ų13270%0.70271%0.711SS**  trans-8812.4176.800000114S292 L296S292-A294 VanDerWaalsContact C-N 3.31Å; S292-A294 PolarHBondContact O-N 2.82Å; A294-L296 PolarHBondContact O-N 3.17Å
295F41.5Very low33.7Very low134 Ų134132.1 Ų132.159%0.58871%0.714SS**THydrogen-bonded Turntrans-86.44.8-152.2-160.5-104.8000116.4K50 G293K50-F295 HydrophobicContact CB-CZ 4.25Å; K50-F295 HydrophobicContact CD-CE1 4.34Å; K50-F295 HydrophobicContact CD-CE2 4.21Å; K50-F295 HydrophobicContact CD-CZ 3.49Å; K50-F295 VanDerWaalsContact CD-CZ 3.49Å; K50-F295 HydrophobicContact CG-CE1 4.28Å; K50-F295 HydrophobicContact CG-CZ 3.74Å; G293-F295 VanDerWaalsContact C-N 3.28Å; G293-F295 PolarHBondContact O-N 3.42Å
296L37.6Very low33.6Very low72 Ų72128.1 Ų128.138%0.37771%0.705SS.*THydrogen-bonded Turntrans-139.94.6-172.4-68.9171.2000116.3N73 G174 A294N73-L296 PolarHBondContact ND2-O 2.88Å; G174-L296 VanDerWaalsContact CA-CD1 3.49Å; A294-L296 PolarHBondContact O-N 3.17Å
297S37.5Very low33.3Very low78 Ų78128.6 Ų128.655%0.54571%0.709SS.*  trans-103.4137.5179.8-170.90000111.9E299S297-E299 VanDerWaalsContact C-N 3.28Å; S297-E299 PolarHBondContact O-N 2.9Å; S297-E299 PolarHBondContact OG-OE2 2.75Å
298F37.3Very low33Very low93 Ų93133.6 Ų133.641%0.40871%0.714SS.*  trans-84.473.8165.3-70-79.6000109M71 N73M71-F298 HydrophobicContact CB-CD1 4.37Å; M71-F298 HydrophobicContact CB-CE1 3.46Å; M71-F298 VanDerWaalsContact CB-CE1 3.46Å; M71-F298 HydrophobicContact CB-CZ 3.61Å; M71-F298 HydrophobicContact CE-CE1 4.28Å; M71-F298 HydrophobicContact CE-CZ 4.3Å; N73-F298 HydrophobicContact CB-CE2 4.35Å; N73-F298 VanDerWaalsContact CG-CE2 3.45Å; N73-F298 VanDerWaalsContact OD1-CE2 3.24Å; N73-F298 WeakPolarHBondContact OD1-CE2 3.47Å
299E35.2Very low33Very low165 Ų165137.1 Ų137.177%0.77172%0.719SS**  trans-120.489.5165.8-79.2172.1142.100108.4S297S297-E299 VanDerWaalsContact C-N 3.28Å; S297-E299 PolarHBondContact O-N 2.9Å; S297-E299 PolarHBondContact OG-OE2 2.75Å
300D34.5Very low32.5Very low111 Ų111140.1 Ų140.159%0.59473%0.73SS**  trans-101.596.6163.3-155.3-4.1000106.9R302D300-R302 VanDerWaalsContact C-N 3.34Å; D300-R302 VanDerWaalsContact CG-NE 3.34Å; D300-R302 PolarHBondContact O-N 2.99Å; D300-R302 VanDerWaalsContact O-N 3.15Å; D300-R302 WeakPolarHBondContact OD1-CG 3.24Å; D300-R302 IonicContact OD1-NE 2.77Å; D300-R302 PolarHBondContact OD1-NE 3.04Å; D300-R302 IonicContact OD1-NH2 3.74Å; D300-R302 IonicContact OD2-CZ 3.14Å; D300-R302 IonicContact OD2-NE 3.78Å; D300-R302 PolarHBondContact OD2-NE 2.94Å; D300-R302 IonicContact OD2-NH2 3.41Å; D300-R302 PolarHBondContact OD2-NH2 3.17Å
301K32.3Very low32.3Very low208 Ų208142.9 Ų142.990%0.90474%0.737SS**  trans-74.393163.3-75.3-172.7-179.7-178.30107
302R30.8Very low32.2Very low201 Ų201139 Ų13976%0.75873%0.732SS**  trans-112113.3159.7-63.3-171-157.2177.711.7108.7D300D300-R302 VanDerWaalsContact C-N 3.34Å; D300-R302 VanDerWaalsContact CG-NE 3.34Å; D300-R302 PolarHBondContact O-N 2.99Å; D300-R302 VanDerWaalsContact O-N 3.15Å; D300-R302 WeakPolarHBondContact OD1-CG 3.24Å; D300-R302 IonicContact OD1-NE 2.77Å; D300-R302 PolarHBondContact OD1-NE 3.04Å; D300-R302 IonicContact OD1-NH2 3.74Å; D300-R302 IonicContact OD2-CZ 3.14Å; D300-R302 IonicContact OD2-NE 3.78Å; D300-R302 PolarHBondContact OD2-NE 2.94Å; D300-R302 IonicContact OD2-NH2 3.41Å; D300-R302 PolarHBondContact OD2-NH2 3.17Å
303E31.6Very low32.2Very low183 Ų183143 Ų14386%0.85574%0.739SS**PPolyproline II helixtrans-63.5146.5161.1-70.2-168.9162.300109.7M305E303-M305 PolarHBondContact O-N 3.38Å
304P28.9Very low32.2Very low128 Ų128145.8 Ų145.883%0.83173%0.733SS**PPolyproline II helixtrans-79.6120.6-176.631-30.9000110.4
305M28.9Very low32.4Very low176 Ų176152.1 Ų152.187%0.86775%0.745SS**PPolyproline II helixtrans-91.5142.5165.6-82.5-68.2-79.300110.6E303E303-M305 PolarHBondContact O-N 3.38Å
306P30.7Very low31.9Very low104 Ų104155 Ų15568%0.67576%0.76SS**PPolyproline II helixtrans-80.4154.8-155.931.5-35000113.9R308P306-R308 PolarHBondContact O-N 3.01Å
307H31.9Very low31.7Very low186 Ų186157.1 Ų157.186%0.86178%0.779SS**  trans-44.4128.4174-63.6-66.7000113.5
308R26.4Very low31.4Very low227 Ų227158.4 Ų158.486%0.85779%0.794SS**  trans-115.8100.8156.7-146.4175.4-174.8176.60.9108.1P306P306-R308 PolarHBondContact O-N 3.01Å
309H30.4Very low31.3Very low174 Ų174160.6 Ų160.681%0.80682%0.815SS**  trans-62.3128.9160-93.5-84000108.2
310E29.6Very low31Very low159 Ų159161 Ų16174%0.74382%0.816SS**  trans-162.8117.3143.4-108.8162.1-155.800110.1
311N28.5Very low30.9Very low150 Ų150162 Ų16280%0.80283%0.83SS**  trans70.687.4151.2-54.3-19.5000118.8
312A30.8Very low30.9Very low99 Ų99161.2 Ų161.282%0.81883%0.829SS**  trans-70.6124.9150.300000109.9
313E29.8Very low30.8Very low183 Ų183163.3 Ų163.386%0.85584%0.837SS**  trans-161.9134.9147.9-107.9169.3-153.800108.7
314N33.4Very low30.8Very low145 Ų145160.8 Ų160.878%0.77584%0.836SS**  trans84.574.3178.1-57.8-28.4000118.8
315F32.2Very low30.9Very low219 Ų219166.4 Ų166.496%0.96184%0.841SS**  trans-145.1119.3137.7-85.7-76.1000110
316Q32.7Very low31Very low193 Ų193163.7 Ų163.790%0.90284%0.836SS**PPolyproline II helixtrans-74.4140.1172.7-74.3-163.2-21.200110.8
317P33.1Very low31Very low117 Ų117169.3 Ų169.376%0.7684%0.844SS**PPolyproline II helixtrans-77.9141.5178.529-31.3000112.5
318A31.4Very low30.8Very low105 Ų105172.3 Ų172.387%0.86885%0.848SS**PPolyproline II helixtrans-62.8130.1176.500000112.1
319V33.7Very low31Very low140 Ų140172.1 Ų172.185%0.84885%0.847SS**PPolyproline II helixtrans-77.3131.7-178.3175.90000110.9
320Q30.3Very low31.1Very low172 Ų172169.8 Ų169.880%0.80485%0.848SS**PPolyproline II helixtrans-70141.5172.5-72.5-179.8-5.700111.8Q322Q320-Q322 PolarHBondContact O-N 3.31Å
321P32Very low31.1Very low134 Ų134171.4 Ų171.487%0.8786%0.855SS**PPolyproline II helixtrans-78.8119-179.329.1-31.5000112.4
322Q31.5Very low31Very low190 Ų190172.9 Ų172.989%0.88886%0.857SS**PPolyproline II helixtrans-87.6147168.3-72.9-167-5.300112.3Q320Q320-Q322 PolarHBondContact O-N 3.31Å
323R30.1Very low31Very low246 Ų246178 Ų17893%0.92886%0.861SS**PPolyproline II helixtrans-64.2144179.3-70.1179.4174.3-175.1-2.2112.8
324P31.4Very low30.9Very low130 Ų130177.8 Ų177.884%0.84486%0.86SS**PPolyproline II helixtrans-85.5138.3-179.831.4-29.9000113.4
325R30.1Very low30.8Very low245 Ų245181 Ų18193%0.92586%0.862SS**  trans-116.6158.9162.8-86.9-171.3178.4-173.91110.1
326P31.5Very low30.8Very low119 Ų119176.4 Ų176.477%0.77385%0.852SS**  trans-97.7149.2-145.435.3-33.9000117.5
327R29.6Very low30.7Very low222 Ų222172.3 Ų172.384%0.83884%0.842SS**  trans48.4128.8149.2-78.5-174.3170.1173.80.3121.8
328R28.3Very low30.5Very low250 Ų250172.6 Ų172.694%0.94384%0.844SS**  -141.7137.1127.1-77.4-166.7172.4178.6-3.4111.5
329R31.6Very low30.3Very low223 Ų223177.9 Ų177.984%0.84284%0.841SS**  trans-75.6153.6175.2-73.1177.4171.2175.1-3.2111.2
330P31.2Very low30.1Very low125 Ų125179.5 Ų179.581%0.81284%0.84SS**  trans-131.7141.1137.118.81.7000115
331Q29.1Very low30Very low193 Ų193182 Ų18290%0.90284%0.842SS**  trans3.3137.7161.8-74.4168-11.900123.2
332Q28.4Very low29.8Very low180 Ų180181 Ų18184%0.84183%0.833SS**  trans-54.3137.3167.1-71.7165-29.400113.3
333K28.8Very low29.6Very low206 Ų206179 Ų17990%0.89683%0.828SS**  trans-128.7125.8148.8-77.2-172.7177.4-179.20108.6
334H29.2Very low29.5Very low180 Ų180173.7 Ų173.783%0.83382%0.818SS**  trans-63.7130.3176-76-42000110.9
335Y29.9Very low29.3Very low212 Ų212174 Ų17483%0.83182%0.817SS**  trans-129.3126167.4-160.6-95.2000108.4
336V32.6Very low29.3Very low123 Ų123169.4 Ų169.475%0.74581%0.81SS**PPolyproline II helixtrans-97.3130.4-178.9177.70000108
337P30.4Very low29.2Very low106 Ų106169.3 Ų169.369%0.68881%0.809SS**PPolyproline II helixtrans-89.9144.4-177.833.2-30.6000112.3
338P29.5Very low29.2Very low124 Ų124164.3 Ų164.381%0.80581%0.809SS**PPolyproline II helixtrans-83.7145.8163.21.217.2000111.6
339R28.1Very low29.2Very low215 Ų215156.9 Ų156.981%0.81180%0.795SS**PPolyproline II helixtrans-89.6153.4178.1-70.9178167.1177.3-4.1112.7
340H29.2Very low29.3Very low175 Ų175151.1 Ų151.181%0.8179%0.789SS**  trans78.5136.1164.8-51.4-63.1000115.4
341R26.7Very low29.5Very low225 Ų225154.9 Ų154.985%0.84979%0.788SS**  cis-138.815424.4-73.2176.4175.4175.3-2.3112.1
342V27.9Very low29.9Very low113 Ų113151 Ų15169%0.68577%0.768SS**  trans-93.3114.6171.6-1790000107.2D344V342-D344 HydrophobicContact CG1-CB 4.34Å; V342-D344 WeakPolarHBondContact CG1-OD2 3.49Å
343D27.6Very low30.2Very low148 Ų148150.8 Ų150.879%0.79177%0.768SS**  trans-115.188.3161.2-76.2-42.3000106.1V345D343-V345 PolarHBondContact O-N 3.26Å
344D27.6Very low30.3Very low134 Ų134146.4 Ų146.472%0.71776%0.76SS**  trans-78.8101.1173.2-77.8-37.5000108.7V342V342-D344 HydrophobicContact CG1-CB 4.34Å; V342-D344 WeakPolarHBondContact CG1-OD2 3.49Å
345V28.6Very low30.7Very low136 Ų136144.6 Ų144.682%0.82475%0.747SS**  trans-111.592159-178.60000107.3D343D343-V345 PolarHBondContact O-N 3.26Å
346L29.4Very low31Very low148 Ų148141.8 Ų141.878%0.77574%0.741SS**PPolyproline II helixtrans-73133.6165.7-117.583.4000109
347P29.3Very low31.1Very low117 Ų117142.1 Ų142.176%0.7674%0.739SS**PPolyproline II helixtrans-70.7135.9164.80.414.4000109.6S349P347-S349 PolarHBondContact O-N 3.33Å
348S29.3Very low31.4Very low118 Ų118145.9 Ų145.983%0.82574%0.741SS**PPolyproline II helixtrans-51.6121.4-175.561.20000113S350S348-S350 PolarHBondContact O-N 2.68Å
349S29.7Very low31.7Very low93 Ų93148.1 Ų148.165%0.6574%0.74SS**  trans-60.6113.7161.1175.10000108.7P347 Y351P347-S349 PolarHBondContact O-N 3.33Å; S349-Y351 VanDerWaalsContact C-N 3.33Å; S349-Y351 PolarHBondContact O-N 3.41Å
350S32.1Very low31.8Very low102 Ų102145.4 Ų145.471%0.71374%0.737SS**  trans-66.493.7165.157.70000108.3S348 F352S348-S350 PolarHBondContact O-N 2.68Å; S350-F352 PolarHBondContact O-N 2.95Å
351Y37.3Very low32.1Very low204 Ų204142.1 Ų142.180%0.873%0.731SS**PPolyproline II helixtrans-65.3121.2172.2-107.5-103.4000108.9S349S349-Y351 VanDerWaalsContact C-N 3.33Å; S349-Y351 PolarHBondContact O-N 3.41Å
352F36.1Very low32.7Very low111 Ų111138.4 Ų138.449%0.48773%0.727SS.*PPolyproline II helixtrans-73.4123.8159.7-109.3-84.8000107.3V253 S350V253-F352 HydrophobicContact CG1-CD1 3.68Å; V253-F352 HydrophobicContact CG1-CE1 3.11Å; V253-F352 HydrophobicContact CG1-CE2 4.41Å; V253-F352 HydrophobicContact CG1-CZ 3.53Å; S350-F352 PolarHBondContact O-N 2.95Å
353E35.1Very low33.1Very low177 Ų177139.5 Ų139.583%0.82773%0.729SS**PPolyproline II helixtrans-69.8134.7173.7-76.3-166.515600110.5
354P30.6Very low34Very low113 Ų113135.4 Ų135.473%0.73471%0.705SS**PPolyproline II helixtrans-61.6139.8169.1-16.929.7000110.6E356P354-E356 PolarHBondContact O-N 3.13Å; P354-E356 VanDerWaalsContact O-N 3.15Å
355Y37.8Very low35.1Very low143 Ų143136.7 Ų136.756%0.56171%0.707SS**  trans-65.6110.4173.5-171.3-98.7000109.8
356E35.8Very low36.4Very low152 Ų152133.1 Ų133.171%0.7168%0.68SS**  trans-74135168.6-76-130.3152.900110.7P354 Y358P354-E356 PolarHBondContact O-N 3.13Å; P354-E356 VanDerWaalsContact O-N 3.15Å; E356-Y358 VanDerWaalsContact C-N 3.31Å; E356-Y358 PolarHBondContact O-N 3.05Å
357D36.1Very low37.7Very low130 Ų130127 Ų12770%0.69565%0.649SS**  trans-67.478.3-173.5-161.511.9000111.7
358Y35Very low39.2Very low185 Ų185127.1 Ų127.173%0.72564%0.641SS**  trans-92.4104.3162.8-81.2-86.3000108.9E356 Q360E356-Y358 VanDerWaalsContact C-N 3.31Å; E356-Y358 PolarHBondContact O-N 3.05Å; Y358-Q360 PolarHBondContact O-N 3.39Å
359H36.4Very low40.6Very low172 Ų172125.7 Ų125.780%0.79662%0.617SS**SBendtrans-46.994.3171.5-72-64.4000112.9
360Q31Very low41.8Very low158 Ų158122.9 Ų122.974%0.73860%0.598SS**  trans-159.3113.9147.2-108.2174.312.700107.9Y358 L362Y358-Q360 PolarHBondContact O-N 3.39Å; Q360-L362 PolarHBondContact O-N 3.44Å
361P36Very low42.8Very low106 Ų106122.4 Ų122.469%0.68858%0.58SS**  trans-67.9103.5175.727.2-29.4000107.5N363P361-N363 PolarHBondContact O-N 2.93Å
362L37.8Very low43.1Very low146 Ų146120.6 Ų120.676%0.76458%0.579SS**  trans-67.172.6160.2-89152.4000107.6Q360 H364Q360-L362 PolarHBondContact O-N 3.44Å; L362-H364 VanDerWaalsContact C-N 3.31Å; L362-H364 PolarHBondContact O-N 3.32Å
363N37.5Very low43.5Very low137 Ų137120.2 Ų120.273%0.73359%0.59SS**  trans-58.297.6163.6-94-11000106.7P361 Q365P361-N363 PolarHBondContact O-N 2.93Å; N363-Q365 PolarHBondContact O-N 2.87Å
364H45.9Very low44.4Very low62 Ų62113.9 Ų113.929%0.28756%0.559SS.*  trans-73.1124.4175.2-145.9-53.1000108.3Q249 L362 F366Q249-H364 PolarHBondContact NE2-CD2 2.82Å; L362-H364 VanDerWaalsContact C-N 3.31Å; L362-H364 PolarHBondContact O-N 3.32Å; H364-F366 AromaticContact CE1-CD2 3.35Å; H364-F366 WeakPolarHBondContact CE1-CD2 3.2Å; H364-F366 AromaticContact CE1-CE2 3.53Å; H364-F366 AromaticContact ND1-CD2 3.21Å; H364-F366 WeakPolarHBondContact ND1-CD2 3.24Å; H364-F366 AromaticContact ND1-CE2 3.69Å; H364-F366 PolarHBondContact O-N 3.11Å
365Q51.3Low44.8Very low160 Ų160113.7 Ų113.775%0.74856%0.558SS**THydrogen-bonded Turntrans-63.64.5-168.4-158.6177.420.200116.2N363N363-Q365 PolarHBondContact O-N 2.87Å
366F55.8Low44.7Very low61 Ų61112.4 Ų112.427%0.26856%0.557SS.*THydrogen-bonded Turntrans-131.1-10.1-156.6-57-41.6000115.6F215 H364F215-F366 HydrophobicContact CE1-CD1 4.18Å; F215-F366 HydrophobicContact CE1-CE1 4.28Å; H364-F366 AromaticContact CE1-CD2 3.35Å; H364-F366 WeakPolarHBondContact CE1-CD2 3.2Å; H364-F366 AromaticContact CE1-CE2 3.53Å; H364-F366 AromaticContact ND1-CD2 3.21Å; H364-F366 WeakPolarHBondContact ND1-CD2 3.24Å; H364-F366 AromaticContact ND1-CE2 3.69Å; H364-F366 PolarHBondContact O-N 3.11Å
367V55.8Low44.9Very low21 Ų21109.6 Ų109.613%0.12754%0.54CS..EExtended strand (participates in β ladder)trans-133.6124172.8176.20000107.2D209 V210 L211 H246 R369D209-V367 HydrophobicContact CB-CG1 4.45Å; V210-V367 WeakPolarHBondContact O-CA 2.99Å; V210-V367 WeakPolarHBondContact O-CG1 3.46Å; L211-V367 HydrophobicContact CB-CG2 4.34Å; L211-V367 HydrophobicContact CD1-CG2 3.58Å; H246-V367 HydrophobicContact CB-CG2 4.24Å; H246-V367 VanDerWaalsContact CE1-CG1 3.43Å; H246-V367 WeakPolarHBondContact CE1-CG1 3.47Å; V367-R369 PolarHBondContact O-N 3.44Å
368M61.9Low44.7Very low119 Ų119106.5 Ų106.559%0.58653%0.533SS*.EExtended strand (participates in β ladder)trans-77.5119.4170.6-75.3-165-8800108.1V210V210-M368 PolarHBondContact N-O 3.27Å; V210-M368 PolarHBondContact O-N 3.48Å
369R57.8Low44.6Very low87 Ų87100 Ų10033%0.32851%0.513SS..  trans-98.5133.7175.7-63.6-169.3-168171.112.5109.2V367V367-R369 PolarHBondContact O-N 3.44Å
370S55.4Low44.5Very low34 Ų3498.2 Ų98.224%0.23850%0.5CS..SBendtrans-81.7-22.5170.458.90000112.6E207 D209E207-S370 VanDerWaalsContact C-OG 3.31Å; E207-S370 VanDerWaalsContact CA-CB 3.48Å; E207-S370 WeakPolarHBondContact CA-OG 3.31Å; E207-S370 PolarHBondContact O-OG 3.15Å; D209-S370 PolarHBondContact OD1-N 3.01Å; D209-S370 PolarHBondContact OD1-OG 3.29Å
371R52.2Low44.6Very low92 Ų9296.1 Ų96.135%0.34750%0.498SS..  trans-138.4150.5-176.9-62.6-170.8-179.8-173.37.1114.1E156 E207E156-R371 IonicContact OE1-CZ 3.53Å; E156-R371 IonicContact OE1-NH1 2.78Å; E156-R371 PolarHBondContact OE1-NH1 3.46Å; E156-R371 IonicContact OE1-NH2 3.4Å; E156-R371 PolarHBondContact OE1-NH2 3.32Å; E207-R371 VanDerWaalsContact CD-NH2 3.33Å; E207-R371 IonicContact OE1-CZ 3.58Å; E207-R371 IonicContact OE1-NE 3.53Å; E207-R371 PolarHBondContact OE1-NE 3.35Å; E207-R371 VanDerWaalsContact OE1-NE 3.11Å; E207-R371 IonicContact OE1-NH2 3.08Å; E207-R371 PolarHBondContact OE1-NH2 3.15Å; E207-R371 VanDerWaalsContact OE1-NH2 3.08Å; E207-R371 IonicContact OE2-CZ 3.56Å; E207-R371 IonicContact OE2-NE 2.67Å; E207-R371 IonicContact OE2-NH2 2.83Å; E207-R371 PolarHBondContact OE2-NH2 3.16Å
372H43.8Very low44.5Very low166 Ų166101.4 Ų101.477%0.76951%0.506SS*.SBendtrans-87.8-20.2-170-70.769.1000114.5
373S45.4Very low44.1Very low104 Ų104103.5 Ų103.573%0.72751%0.512SS*.  trans-159.5143174.354.40000110.9
374R53Low43.8Very low43 Ų43105.5 Ų105.516%0.16251%0.514CS..  trans-117.1135.6167.5-68.1-175.2178.4-134.50.2108.8E156 E157 T158 H376E156-R374 PolarHBondContact O-NH1 2.85Å; E157-R374 PolarHBondContact O-NH1 3.1Å; E157-R374 VanDerWaalsContact O-NH1 3.08Å; T158-R374 PolarHBondContact O-NH1 2.89Å; R374-H376 PolarHBondContact O-N 3.01Å
375P38.6Very low43.1Very low110 Ų110107.2 Ų107.271%0.71453%0.53SS*.  trans-63.2132.3174.517.6-20.5000110.4Y377P375-Y377 PolarHBondContact O-N 3.13Å
376H37Very low42.3Very low116 Ų116106.5 Ų106.554%0.53753%0.532SS..  trans-61.8116.8176.9-179.9-74.9000110.1R374 A378R374-H376 PolarHBondContact O-N 3.01Å; H376-A378 PolarHBondContact O-N 3.07Å
377Y38.8Very low41.4Very low93 Ų93111.8 Ų111.837%0.36556%0.557SS.*  trans-70.4114.9172.9-171.6-102.6000109.4K17 P375 Y380K17-Y377 PolarHBondContact NZ-O 3.36Å; P375-Y377 PolarHBondContact O-N 3.13Å; Y377-Y380 HydrophobicContact CE1-CD2 4.22Å; Y377-Y380 HydrophobicContact CE1-CE1 4.46Å; Y377-Y380 HydrophobicContact CE1-CE2 4.01Å; Y377-Y380 WeakPolarHBondContact OH-CE1 3.37Å
378A32.2Very low40.4Very low65 Ų65120.7 Ų120.754%0.53759%0.588SS.*  trans-58.9137.1168.500000109H376H376-A378 PolarHBondContact O-N 3.07Å
379P32.7Very low39.2Very low49 Ų49120.5 Ų120.532%0.31860%0.596SS.*  trans-56.3157-179.222.8-31.6000110.8N16 T381N16-P379 HydrophobicContact CB-CB 4.04Å; P379-T381 HydrophobicContact CG-CG2 4.46Å; P379-T381 PolarHBondContact O-N 2.92Å
380Y34.3Very low38Very low134 Ų134126.2 Ų126.253%0.52562%0.623SS.*  trans-59.176.4168.8-67.5-81.5000110.6L114 Y377 Y382L114-Y380 HydrophobicContact CD1-CE2 4.2Å; Y377-Y380 HydrophobicContact CE1-CD2 4.22Å; Y377-Y380 HydrophobicContact CE1-CE1 4.46Å; Y377-Y380 HydrophobicContact CE1-CE2 4.01Å; Y377-Y380 WeakPolarHBondContact OH-CE1 3.37Å; Y380-Y382 PolarHBondContact O-N 3.45Å
381T33.5Very low37.2Very low113 Ų113133.4 Ų133.469%0.69365%0.653SS**  trans-75.6109.4164500000106P379 H383P379-T381 HydrophobicContact CG-CG2 4.46Å; P379-T381 PolarHBondContact O-N 2.92Å; T381-H383 PolarHBondContact O-N 3.2Å
382Y33.7Very low36.5Very low218 Ų218131.9 Ų131.986%0.85567%0.666SS**  trans-17.9104.9169.8-75.6-94.5000113.8Y380 K384Y380-Y382 PolarHBondContact O-N 3.45Å; Y382-K384 PolarHBondContact O-N 2.77Å
383H29.8Very low36.1Very low190 Ų190138.9 Ų138.988%0.8869%0.688SS**  trans-64.890.2149.5-92.4-61.8000106.8T381 P385T381-H383 PolarHBondContact O-N 3.2Å; H383-P385 WeakPolarHBondContact O-CD 3.34Å
384K30.9Very low35.7Very low179 Ų179140.7 Ų140.778%0.77869%0.686SS**  trans-66.6120.1152.6-97.4-179.7175.4174.40105.8Y382 D386Y382-K384 PolarHBondContact O-N 2.77Å; K384-D386 PolarHBondContact O-N 3.15Å
385P31.1Very low34.8Very low98 Ų98145.8 Ų145.864%0.63671%0.713SS**  trans-61.5123166.4-14.328.3000107.5H383 H387H383-P385 WeakPolarHBondContact O-CD 3.34Å; P385-H387 PolarHBondContact O-N 3.17Å
386D35.7Very low34.6Very low145 Ų145147.8 Ų147.878%0.77571%0.713SS**  trans-65.380.3166.1-96.1-24.1000108.6K384 R388K384-D386 PolarHBondContact O-N 3.15Å; D386-R388 PolarHBondContact O-N 2.84Å
387H36.1Very low34.4Very low172 Ų172149.6 Ų149.680%0.79672%0.723SS**  trans-77.581.9162.3-78.3-37.7000108.5P385P385-H387 PolarHBondContact O-N 3.17Å
388R35.6Very low34.1Very low208 Ų208153.2 Ų153.279%0.78575%0.746SS**  trans-66.7124.9154.9-68.5-171.5-175.1-171.32.6107.7D386 F390D386-R388 PolarHBondContact O-N 2.84Å; R388-F390 PolarHBondContact O-N 3.47Å; R388-F390 VanDerWaalsContact O-N 3.15Å
389P35.6Very low34.3Very low114 Ų114159.1 Ų159.174%0.7476%0.76SS**  trans-72.5110.2172.628.2-29.6000108.5H391P389-H391 PolarHBondContact O-N 3.47Å
390F32.5Very low34.4Very low207 Ų207166.9 Ų166.991%0.90879%0.791SS**  trans-70.5104.4160.7-108.1-89.8000107.7R388R388-F390 PolarHBondContact O-N 3.47Å; R388-F390 VanDerWaalsContact O-N 3.15Å
391H38.5Very low34.4Very low185 Ų185169.5 Ų169.586%0.85681%0.812SS**  trans-82.1120.2156-92-55.7000107.8P389P389-H391 PolarHBondContact O-N 3.47Å
392G37.3Very low34.5Very low60 Ų60174.2 Ų174.262%0.61982%0.822SS**  trans-141.1108.9170.400000109.2
393Y36.7Very low34.5Very low314 Ų314170.2 Ų170.2100%1.23182%0.819SS**  trans45.70161.7-61-78.2000120.5

Retrieved 393 of 393 residues in 773.6 ms (Link to these results)

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