A0A3Q0KUC3_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KUC3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 378 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
1M42.8Very low60.4Low182 Ų18294.1 Ų94.190%0.89749%0.485SS*.  0115.30-79177.2-173.600107.5D3 R6M1-D3 PolarHBondContact O-N 2.91Å; M1-R6 PolarHBondContact SD-NH2 2.72Å
2D56.3Low63Low95 Ų9587.8 Ų87.851%0.50845%0.451SS..  trans-56.1127.9174.51767.9000109.5S4 Q5D2-S4 PolarHBondContact O-N 3.24Å; D2-S4 VanDerWaalsContact O-N 3.1Å; D2-S4 WeakPolarHBondContact OD1-CB 3.3Å; D2-S4 PolarHBondContact OD1-N 2.9Å; D2-S4 PolarHBondContact OD1-OG 3.19Å; D2-S4 WeakPolarHBondContact OD2-CB 3.44Å; D2-S4 PolarHBondContact OD2-OG 3.11Å; D2-Q5 PolarHBondContact O-N 3.33Å
3D62.5Low65.5Low51 Ų5185.2 Ų85.227%0.27344%0.437SS..Hα-helixtrans-55.1-28.6178.8-71.4-67.6000112.1M1 Q5 R6 L7 R50M1-D3 PolarHBondContact O-N 2.91Å; D3-Q5 VanDerWaalsContact C-N 3.3Å; D3-Q5 PolarHBondContact O-N 3.36Å; D3-R6 PolarHBondContact O-N 2.98Å; D3-R6 VanDerWaalsContact O-N 3.14Å; D3-L7 WeakPolarHBondContact O-CG 3.48Å; D3-L7 PolarHBondContact O-N 3.42Å; D3-L7 VanDerWaalsContact O-N 3.07Å; D3-R50 IonicContact OD1-CZ 3.03Å; D3-R50 IonicContact OD1-NH2 3.01Å; D3-R50 PolarHBondContact OD1-NH2 2.97Å; D3-R50 IonicContact OD2-CZ 2.75Å; D3-R50 IonicContact OD2-NE 2.69Å; D3-R50 IonicContact OD2-NH1 3.8Å; D3-R50 IonicContact OD2-NH2 3.86Å; D3-R50 PolarHBondContact OD2-NH2 3.41Å
4S58.4Low67.7Low26 Ų2679.1 Ų79.118%0.18241%0.406CS..Hα-helixtrans-59.6-39.5178.1-49.20000112D2 S8D2-S4 PolarHBondContact O-N 3.24Å; D2-S4 VanDerWaalsContact O-N 3.1Å; D2-S4 WeakPolarHBondContact OD1-CB 3.3Å; D2-S4 PolarHBondContact OD1-N 2.9Å; D2-S4 PolarHBondContact OD1-OG 3.19Å; D2-S4 WeakPolarHBondContact OD2-CB 3.44Å; D2-S4 PolarHBondContact OD2-OG 3.11Å; S4-S8 PolarHBondContact O-N 2.91Å
5Q53Low69.5Low140 Ų14075.4 Ų75.465%0.65439%0.392SS*.Hα-helixtrans-72.7-29177.8-71.8-178-12.400112.6D2 D3D2-Q5 PolarHBondContact O-N 3.33Å; D3-Q5 VanDerWaalsContact C-N 3.3Å; D3-Q5 PolarHBondContact O-N 3.36Å
6R61Low71Confident142 Ų14280.9 Ų80.954%0.53642%0.415SS..Hα-helixtrans-74.4-34.1177.2-72-178.1172.3-177.6-2.4112.3M1 D3M1-R6 PolarHBondContact SD-NH2 2.72Å; D3-R6 PolarHBondContact O-N 2.98Å; D3-R6 VanDerWaalsContact O-N 3.14Å
7L65.2Low72.5Confident7 Ų782.9 Ų82.94%0.03742%0.421CS..Hα-helixtrans-79.6-27-179.4-68.5167.7000112.9D3 S9 Y12 L20 F33 M48 Y89D3-L7 WeakPolarHBondContact O-CG 3.48Å; D3-L7 PolarHBondContact O-N 3.42Å; D3-L7 VanDerWaalsContact O-N 3.07Å; L7-S9 VanDerWaalsContact C-N 3.27Å; L7-S9 PolarHBondContact O-N 3.32Å; L7-Y12 HydrophobicContact CD2-CD2 4.09Å; L7-Y12 HydrophobicContact CD2-CE1 4.39Å; L7-Y12 HydrophobicContact CD2-CE2 3.54Å; L7-L20 HydrophobicContact CB-CD1 4.46Å; L7-L20 WeakPolarHBondContact O-CD1 3.44Å; L7-F33 HydrophobicContact CB-CE1 4.18Å; L7-F33 HydrophobicContact CB-CZ 3.92Å; L7-F33 HydrophobicContact CD1-CE2 4.37Å; L7-F33 HydrophobicContact CD1-CZ 3.98Å; L7-M48 HydrophobicContact CB-CE 4.07Å; L7-M48 HydrophobicContact CD1-CE 3.42Å; L7-M48 VanDerWaalsContact CD1-CE 3.42Å; L7-M48 HydrophobicContact CD2-CE 3.43Å; L7-M48 VanDerWaalsContact CD2-CE 3.43Å; L7-M48 HydrophobicContact CG-CE 3.79Å; L7-Y89 HydrophobicContact CD1-CE1 4.15Å; L7-Y89 HydrophobicContact CD1-CE2 4.46Å; L7-Y89 HydrophobicContact CD2-CD2 4.21Å; L7-Y89 HydrophobicContact CD2-CE2 3.8Å
8S57.8Low73.9Confident57 Ų5779.2 Ų79.240%0.39940%0.401SS..THydrogen-bonded Turntrans-82.96.3-179.187.20000114.6S4 S10S4-S8 PolarHBondContact O-N 2.91Å; S8-S10 PolarHBondContact O-N 3.37Å
9S61.1Low75.1Confident53 Ų5381.1 Ų81.137%0.37140%0.402SS..SBendtrans-63.7133.2174.4102.20000108.5L7 K11 Y12L7-S9 VanDerWaalsContact C-N 3.27Å; L7-S9 PolarHBondContact O-N 3.32Å; S9-K11 PolarHBondContact O-N 3.46Å; S9-K11 PolarHBondContact OG-N 2.98Å; S9-Y12 PolarHBondContact O-N 3.45Å
10S63.8Low76.1Confident98 Ų9877.1 Ų77.169%0.68538%0.383SS*.THydrogen-bonded Turntrans-57.4-2.5178.731.50000114.6S8S8-S10 PolarHBondContact O-N 3.37Å
11K81.9Confident77.1Confident184 Ų18476.5 Ų76.580%0.838%0.383SS*.THydrogen-bonded Turntrans-97.5-5.1175.1-60.5-173.5178.7-176.10114.5S9 I13S9-K11 PolarHBondContact O-N 3.46Å; S9-K11 PolarHBondContact OG-N 2.98Å; K11-I13 PolarHBondContact O-N 2.99Å
12Y92.3Very high79.5Confident19 Ų1973.4 Ų73.48%0.07536%0.361CS..  trans-80.3107.9-178.1-155.4-75.3000110.9L7 S9 V14 R19 L20 M48 D83 V85L7-Y12 HydrophobicContact CD2-CD2 4.09Å; L7-Y12 HydrophobicContact CD2-CE1 4.39Å; L7-Y12 HydrophobicContact CD2-CE2 3.54Å; S9-Y12 PolarHBondContact O-N 3.45Å; Y12-V14 HydrophobicContact CD1-CG2 4.07Å; Y12-V14 HydrophobicContact CE1-CG2 3.92Å; Y12-R19 WeakPolarHBondContact O-CA 3.44Å; Y12-L20 HydrophobicContact CD1-CD1 3.31Å; Y12-L20 HydrophobicContact CD1-CG 3.93Å; Y12-L20 HydrophobicContact CE1-CD1 3.92Å; Y12-L20 HydrophobicContact CG-CD1 3.74Å; Y12-L20 HydrophobicContact CG-CG 4.48Å; Y12-L20 PolarHBondContact O-N 2.99Å; Y12-M48 HydrophobicContact CE1-SD 4.31Å; Y12-D83 HydrophobicContact CE1-CB 4.3Å; Y12-D83 VanDerWaalsContact OH-CG 3.26Å; Y12-D83 PolarHBondContact OH-OD2 3.35Å; Y12-V85 HydrophobicContact CD1-CG2 3.91Å; Y12-V85 HydrophobicContact CD2-CG1 4.28Å; Y12-V85 HydrophobicContact CE1-CB 4.2Å; Y12-V85 HydrophobicContact CE1-CG2 3.58Å; Y12-V85 HydrophobicContact CE2-CB 4.09Å; Y12-V85 HydrophobicContact CE2-CG1 3.98Å; Y12-V85 HydrophobicContact CE2-CG2 4.23Å; Y12-V85 HydrophobicContact CG-CG2 4.39Å
13I95.4Very high81.3Confident53 Ų5372.7 Ų72.727%0.27235%0.353SS..EExtended strand (participates in β ladder)trans-116.1107-178.7-55.1177.5000109K11 A15 E16 W18 R19 I38 V85K11-I13 PolarHBondContact O-N 2.99Å; I13-A15 PolarHBondContact O-N 2.99Å; I13-E16 VanDerWaalsContact CG2-C 3.43Å; I13-W18 CarbonylContact C-O 3.59Å; I13-W18 WeakPolarHBondContact CA-O 3.4Å; I13-R19 HydrophobicContact CG1-CB 4.39Å; I13-R19 HydrophobicContact CG1-CG 4.47Å; I13-I38 HydrophobicContact CG2-CD1 4.42Å; I13-V85 VanDerWaalsContact O-CG2 3.25Å; I13-V85 WeakPolarHBondContact O-CG2 3.45Å
14V95.7Very high82.8Confident0 Ų071.7 Ų71.70%035%0.348CS..EExtended strand (participates in β ladder)trans-68.9128.8177.3175.40000109.7Y12 E16 K17 W18 L20 I46 M48 F79 D83 A91 V93Y12-V14 HydrophobicContact CD1-CG2 4.07Å; Y12-V14 HydrophobicContact CE1-CG2 3.92Å; V14-E16 PolarHBondContact O-N 3.38Å; V14-K17 PolarHBondContact O-N 3.49Å; V14-W18 PolarHBondContact N-O 3.06Å; V14-W18 PolarHBondContact O-N 3.1Å; V14-L20 HydrophobicContact CG2-CD2 4.33Å; V14-L20 HydrophobicContact CG2-CG 4.26Å; V14-I46 HydrophobicContact CG2-CD1 4.44Å; V14-I46 HydrophobicContact CG2-CG2 4.26Å; V14-M48 HydrophobicContact CG2-SD 4.28Å; V14-F79 HydrophobicContact CG1-CE1 4.37Å; V14-D83 CarbonylContact C-O 3.58Å; V14-D83 WeakPolarHBondContact CA-O 3.49Å; V14-A91 HydrophobicContact CG1-CB 3.59Å; V14-V93 HydrophobicContact CG1-CG2 4.42Å
15A95Very high84.1Confident24 Ų2470.6 Ų70.620%0.19834%0.34CS..THydrogen-bonded Turntrans47.237.9177.800000113I13 K17 W18 F79 D83I13-A15 PolarHBondContact O-N 2.99Å; A15-K17 WeakPolarHBondContact O-CG 3.39Å; A15-K17 PolarHBondContact O-N 2.96Å; A15-W18 HydrophobicContact CB-CE3 4.29Å; A15-W18 HydrophobicContact CB-CZ3 4.01Å; A15-F79 HydrophobicContact CB-CD1 4.35Å; A15-F79 HydrophobicContact CB-CD2 4.4Å; A15-F79 HydrophobicContact CB-CE1 3.79Å; A15-F79 HydrophobicContact CB-CE2 3.85Å; A15-F79 HydrophobicContact CB-CZ 3.5Å; A15-D83 PolarHBondContact N-O 2.96Å
16E94.4Very high85.6Confident163 Ų16366.2 Ų66.276%0.76233%0.326SS*.THydrogen-bonded Turntrans58.111-179.9-56.3178170.400115.2I13 V14 I38I13-E16 VanDerWaalsContact CG2-C 3.43Å; V14-E16 PolarHBondContact O-N 3.38Å; E16-I38 WeakPolarHBondContact O-CD1 3.44Å
17K96.6Very high86.1Confident116 Ų11660.6 Ų60.650%0.50431%0.312SS..THydrogen-bonded Turntrans-128.2-33.1-171-73.8179.9-178.5-1760114.8V14 A15 N37 I38V14-K17 PolarHBondContact O-N 3.49Å; A15-K17 WeakPolarHBondContact O-CG 3.39Å; A15-K17 PolarHBondContact O-N 2.96Å; K17-N37 WeakPolarHBondContact O-CA 3.34Å; K17-I38 WeakPolarHBondContact O-CG1 3.47Å; K17-I38 PolarHBondContact O-N 3.03Å
18W97.6Very high86.3Confident16 Ų1663.6 Ų63.66%0.06133%0.333CS..EExtended strand (participates in β ladder)trans-119.5111.7-174.4-59-88.7000111.6I13 V14 A15 V36 V44 I46 Q78 F79 V93I13-W18 CarbonylContact C-O 3.59Å; I13-W18 WeakPolarHBondContact CA-O 3.4Å; V14-W18 PolarHBondContact N-O 3.06Å; V14-W18 PolarHBondContact O-N 3.1Å; A15-W18 HydrophobicContact CB-CE3 4.29Å; A15-W18 HydrophobicContact CB-CZ3 4.01Å; W18-V36 CarbonylContact C-O 3.51Å; W18-V36 WeakPolarHBondContact CA-O 3.23Å; W18-V44 HydrophobicContact CG-CG2 4.31Å; W18-I46 HydrophobicContact CB-CD1 3.64Å; W18-I46 HydrophobicContact CG-CD1 4.49Å; W18-Q78 HydrophobicContact CZ2-CB 4.2Å; W18-F79 HydrophobicContact CH2-CB 3.55Å; W18-F79 HydrophobicContact CH2-CD2 4.41Å; W18-F79 HydrophobicContact CH2-CG 4.1Å; W18-F79 HydrophobicContact CZ2-CB 4.31Å; W18-F79 HydrophobicContact CZ3-CB 3.69Å; W18-F79 HydrophobicContact CZ3-CD1 4.27Å; W18-F79 HydrophobicContact CZ3-CD2 4.15Å; W18-F79 AromaticContact CZ3-CG 3.79Å; W18-F79 HydrophobicContact CZ3-CG 3.79Å; W18-V93 HydrophobicContact CD2-CB 4.43Å; W18-V93 HydrophobicContact CD2-CG1 4.07Å; W18-V93 HydrophobicContact CD2-CG2 3.89Å; W18-V93 HydrophobicContact CE3-CG2 3.86Å; W18-V93 HydrophobicContact CG-CG1 4.11Å; W18-V93 HydrophobicContact CG-CG2 4.24Å; W18-V93 HydrophobicContact CZ2-CG1 4.45Å; W18-V93 HydrophobicContact CZ3-CG2 4.35Å
19R96.6Very high87Confident115 Ų11563.9 Ų63.943%0.43433%0.327SS..EExtended strand (participates in β ladder)trans-76.8127.9177-173.6-175.2-59.9144.33.5109.7Y12 I13 G35 V36 I38Y12-R19 WeakPolarHBondContact O-CA 3.44Å; I13-R19 HydrophobicContact CG1-CB 4.39Å; I13-R19 HydrophobicContact CG1-CG 4.47Å; R19-G35 CarbonylContact O-C 3.55Å; R19-G35 WeakPolarHBondContact O-CA 3.35Å; R19-V36 PolarHBondContact N-O 3.45Å; R19-V36 PolarHBondContact O-N 2.92Å; R19-I38 HydrophobicContact CB-CG2 3.85Å
20L95.4Very high88Confident1 Ų162.2 Ų62.21%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-69.3132.4169.3-66.2177.6000110L7 Y12 V14 F33 I46 M48L7-L20 HydrophobicContact CB-CD1 4.46Å; L7-L20 WeakPolarHBondContact O-CD1 3.44Å; Y12-L20 HydrophobicContact CD1-CD1 3.31Å; Y12-L20 HydrophobicContact CD1-CG 3.93Å; Y12-L20 HydrophobicContact CE1-CD1 3.92Å; Y12-L20 HydrophobicContact CG-CD1 3.74Å; Y12-L20 HydrophobicContact CG-CG 4.48Å; Y12-L20 PolarHBondContact O-N 2.99Å; V14-L20 HydrophobicContact CG2-CD2 4.33Å; V14-L20 HydrophobicContact CG2-CG 4.26Å; L20-F33 HydrophobicContact CD2-CB 3.54Å; L20-F33 HydrophobicContact CD2-CD1 4.46Å; L20-F33 HydrophobicContact CD2-CD2 4.3Å; L20-F33 HydrophobicContact CD2-CG 3.88Å; L20-I46 HydrophobicContact CD2-CB 4.02Å; L20-I46 HydrophobicContact CD2-CD1 3.83Å; L20-I46 HydrophobicContact CD2-CG1 4.38Å; L20-I46 HydrophobicContact CD2-CG2 4.12Å; L20-M48 HydrophobicContact CD1-CE 3.79Å; L20-M48 HydrophobicContact CD1-SD 3.89Å; L20-M48 HydrophobicContact CD2-SD 4.39Å
21V95.4Very high89.3Confident64 Ų6458.7 Ų58.739%0.38829%0.294SS..EExtended strand (participates in β ladder)trans-104.4-65.5-179.4179.70000110.6L34 V36V21-L34 HydrophobicContact CB-CB 4.37Å; V21-L34 HydrophobicContact CB-CD2 4.17Å; V21-L34 HydrophobicContact CB-CG 4.15Å; V21-L34 WeakPolarHBondContact CB-O 3.47Å; V21-L34 HydrophobicContact CG1-CD2 4.11Å; V21-L34 HydrophobicContact CG2-CG 4.43Å; V21-L34 PolarHBondContact N-O 3.23Å; V21-V36 HydrophobicContact CG2-CB 4.4Å; V21-V36 HydrophobicContact CG2-CG2 3.73Å
22R94.3Very high89.9Confident118 Ų11851.5 Ų51.545%0.44526%0.264SS..EExtended strand (participates in β ladder)trans-148.9152.6-179.364.5179.1-177.7-87.6-3.3110.6I24 F33 L34R22-I24 HydrophobicContact CG-CG2 4.05Å; R22-I24 PolarHBondContact O-N 3.44Å; R22-F33 CarbonylContact O-C 3.47Å; R22-F33 VanDerWaalsContact O-CA 3.28Å; R22-F33 WeakPolarHBondContact O-CA 3.38Å; R22-L34 HydrophobicContact CG-CB 4.17Å; R22-L34 HydrophobicContact CG-CD2 4.43Å; R22-L34 PolarHBondContact O-N 3.41Å
23K93.9Very high90.1Very high79 Ų7950.7 Ų50.734%0.34326%0.261SS..EExtended strand (participates in β ladder)trans-67.4131.1168.9-168.7174.9-179.5178.30108.2G25 S26 S31 F33K23-G25 WeakPolarHBondContact CE-O 3.49Å; K23-S26 WeakPolarHBondContact CE-OG 3.28Å; K23-S26 PolarHBondContact NZ-OG 2.95Å; K23-S31 WeakPolarHBondContact CE-OG 3.41Å; K23-S31 PolarHBondContact NZ-OG 3.47Å; K23-F33 HydrophobicContact CB-CD1 3.92Å; K23-F33 HydrophobicContact CB-CE1 3.78Å; K23-F33 HydrophobicContact CG-CD1 4.42Å; K23-F33 HydrophobicContact CG-CE1 4.14Å; K23-F33 HydrophobicContact CG-CZ 4.4Å
24I93.1Very high90.1Very high31 Ų3148.3 Ų48.316%0.15925%0.249CC..EExtended strand (participates in β ladder)trans-111.3-36.3178.364.4176.6000110R22 I32 L34 L96 A372R22-I24 HydrophobicContact CG-CG2 4.05Å; R22-I24 PolarHBondContact O-N 3.44Å; I24-I32 HydrophobicContact CD1-CG2 3.96Å; I24-I32 HydrophobicContact CG1-CB 4.28Å; I24-I32 HydrophobicContact CG1-CG2 3.78Å; I24-I32 WeakPolarHBondContact CG1-O 3.45Å; I24-I32 PolarHBondContact N-O 3.21Å; I24-L34 HydrophobicContact CG2-CB 3.66Å; I24-L96 HydrophobicContact CD1-CD1 4.08Å; I24-A372 HydrophobicContact CB-CB 3.29Å; I24-A372 HydrophobicContact CD1-CB 4.02Å; I24-A372 HydrophobicContact CG1-CB 3.54Å; I24-A372 WeakPolarHBondContact O-CB 3.42Å
25G87.7Confident90.2Very high2 Ų248.3 Ų48.32%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-147.2173.6-179.400000113.5K23 I32K23-G25 WeakPolarHBondContact CE-O 3.49Å; G25-I32 PolarHBondContact N-O 3.02Å; G25-I32 PolarHBondContact O-N 3.33Å
26S84.2Confident90.3Very high49 Ų4948.8 Ų48.834%0.34325%0.249SC..EExtended strand (participates in β ladder)trans-132.9132.3168.9-53.40000108.5K23K23-S26 WeakPolarHBondContact CE-OG 3.28Å; K23-S26 PolarHBondContact NZ-OG 2.95Å
27G71.7Confident90.5Very high24 Ų2442 Ų4225%0.24722%0.218CC..  trans-101.8178.7171.300000111.1F29 G30G27-F29 PolarHBondContact O-N 3.47Å; G27-G30 PolarHBondContact N-O 2.96Å
28S68.5Low90.4Very high69 Ų6939.8 Ų39.848%0.48321%0.211SC..SBendtrans-63.7-20.8176.7-63.70000113.6
29F71.7Confident90.4Very high63 Ų6345 Ų4528%0.27624%0.244SC..SBendtrans-1240.2-171-51.2-74.5000113.7G27 E49 Q57G27-F29 PolarHBondContact O-N 3.47Å; F29-E49 WeakPolarHBondContact O-CG 3.43Å; F29-Q57 HydrophobicContact CD1-CG 4.11Å; F29-Q57 HydrophobicContact CD2-CB 4.43Å; F29-Q57 HydrophobicContact CD2-CG 4.26Å; F29-Q57 HydrophobicContact CE1-CG 4.23Å; F29-Q57 VanDerWaalsContact CE1-NE2 3.31Å; F29-Q57 HydrophobicContact CE2-CG 4.38Å; F29-Q57 HydrophobicContact CG-CB 4.42Å; F29-Q57 HydrophobicContact CG-CG 4.15Å; F29-Q57 HydrophobicContact CZ-CG 4.38Å; F29-Q57 VanDerWaalsContact CZ-OE1 3.27Å
30G82.7Confident90.4Very high18 Ų1843.9 Ų43.919%0.18625%0.25CS..  trans178.6-177.6-172.100000114.4G27 M48G27-G30 PolarHBondContact N-O 2.96Å; G30-M48 WeakPolarHBondContact CA-O 3.41Å
31S91.4Very high90.4Very high25 Ų2546.3 Ų46.318%0.17528%0.275CS..EExtended strand (participates in β ladder)trans-108.9146.6177.4-69.50000110.2K23 M48K23-S31 WeakPolarHBondContact CE-OG 3.41Å; K23-S31 PolarHBondContact NZ-OG 3.47Å; S31-M48 PolarHBondContact N-O 2.99Å; S31-M48 VanDerWaalsContact N-O 3.1Å; S31-M48 PolarHBondContact O-N 3.13Å
32I94.2Very high90.5Very high33 Ų3347.2 Ų47.217%0.16928%0.275CS..EExtended strand (participates in β ladder)trans-112.6130.3178.3-53172.5000107.6I24 G25 A45 I46 K47I24-I32 HydrophobicContact CD1-CG2 3.96Å; I24-I32 HydrophobicContact CG1-CB 4.28Å; I24-I32 HydrophobicContact CG1-CG2 3.78Å; I24-I32 WeakPolarHBondContact CG1-O 3.45Å; I24-I32 PolarHBondContact N-O 3.21Å; G25-I32 PolarHBondContact N-O 3.02Å; G25-I32 PolarHBondContact O-N 3.33Å; I32-A45 HydrophobicContact CG2-CB 4.46Å; I32-I46 WeakPolarHBondContact CA-O 3.37Å; I32-K47 HydrophobicContact CG1-CG 4.34Å
33F95.8Very high90.6Very high1 Ų146.3 Ų46.30%0.00428%0.276CS..EExtended strand (participates in β ladder)trans-122.3148.4-178.1-62.7-98.2000110.7L7 L20 R22 K23 A45 I46 M48L7-F33 HydrophobicContact CB-CE1 4.18Å; L7-F33 HydrophobicContact CB-CZ 3.92Å; L7-F33 HydrophobicContact CD1-CE2 4.37Å; L7-F33 HydrophobicContact CD1-CZ 3.98Å; L20-F33 HydrophobicContact CD2-CB 3.54Å; L20-F33 HydrophobicContact CD2-CD1 4.46Å; L20-F33 HydrophobicContact CD2-CD2 4.3Å; L20-F33 HydrophobicContact CD2-CG 3.88Å; R22-F33 CarbonylContact O-C 3.47Å; R22-F33 VanDerWaalsContact O-CA 3.28Å; R22-F33 WeakPolarHBondContact O-CA 3.38Å; K23-F33 HydrophobicContact CB-CD1 3.92Å; K23-F33 HydrophobicContact CB-CE1 3.78Å; K23-F33 HydrophobicContact CG-CD1 4.42Å; K23-F33 HydrophobicContact CG-CE1 4.14Å; K23-F33 HydrophobicContact CG-CZ 4.4Å; F33-A45 CarbonylContact O-C 3.54Å; F33-A45 WeakPolarHBondContact O-CA 3.46Å; F33-I46 PolarHBondContact N-O 3.13Å; F33-I46 PolarHBondContact O-N 3.05Å; F33-M48 HydrophobicContact CD2-CE 3.93Å; F33-M48 HydrophobicContact CD2-CG 4.39Å; F33-M48 HydrophobicContact CE2-CE 3.47Å; F33-M48 VanDerWaalsContact CE2-CE 3.47Å; F33-M48 HydrophobicContact CZ-CE 4.06Å
34L96.7Very high90.8Very high3 Ų342.6 Ų42.62%0.01626%0.26CS..EExtended strand (participates in β ladder)trans-70.8129157.4175.666.3000107.4V21 R22 I24 E43 L96V21-L34 HydrophobicContact CB-CB 4.37Å; V21-L34 HydrophobicContact CB-CD2 4.17Å; V21-L34 HydrophobicContact CB-CG 4.15Å; V21-L34 WeakPolarHBondContact CB-O 3.47Å; V21-L34 HydrophobicContact CG1-CD2 4.11Å; V21-L34 HydrophobicContact CG2-CG 4.43Å; V21-L34 PolarHBondContact N-O 3.23Å; R22-L34 HydrophobicContact CG-CB 4.17Å; R22-L34 HydrophobicContact CG-CD2 4.43Å; R22-L34 PolarHBondContact O-N 3.41Å; I24-L34 HydrophobicContact CG2-CB 3.66Å; L34-E43 HydrophobicContact CD1-CB 4.05Å; L34-E43 HydrophobicContact CD1-CG 4.41Å; L34-L96 HydrophobicContact CD1-CD1 4.29Å; L34-L96 HydrophobicContact CD1-CD2 3.62Å
35G97Very high91Very high0 Ų041.7 Ų41.70%026%0.257CS..EExtended strand (participates in β ladder)trans-122.3163.9168.800000111.4R19 E43 V44R19-G35 CarbonylContact O-C 3.55Å; R19-G35 WeakPolarHBondContact O-CA 3.35Å; G35-E43 WeakPolarHBondContact O-CA 3.15Å; G35-V44 PolarHBondContact N-O 2.94Å; G35-V44 WeakPolarHBondContact O-CG2 3.08Å; G35-V44 PolarHBondContact O-N 3.28Å
36V97.6Very high91.5Very high35 Ų3541.6 Ų41.621%0.21226%0.256CS..EExtended strand (participates in β ladder)trans-129.3128.9174.2176.10000108.4W18 R19 V21 I38 E42 E43W18-V36 CarbonylContact C-O 3.51Å; W18-V36 WeakPolarHBondContact CA-O 3.23Å; R19-V36 PolarHBondContact N-O 3.45Å; R19-V36 PolarHBondContact O-N 2.92Å; V21-V36 HydrophobicContact CG2-CB 4.4Å; V21-V36 HydrophobicContact CG2-CG2 3.73Å; V36-I38 PolarHBondContact O-N 3.37Å; V36-E42 WeakPolarHBondContact CA-O 3.47Å; V36-E43 HydrophobicContact CG2-CG 4.29Å
37N97.6Very high92Very high19 Ų1940.2 Ų40.210%0.10224%0.244CC..EExtended strand (participates in β ladder)trans-64.4118.3168.9-178.1-37.3000108.7K17 V39 T40 G41 E42K17-N37 WeakPolarHBondContact O-CA 3.34Å; N37-V39 PolarHBondContact O-N 3Å; N37-V39 PolarHBondContact OD1-N 3.36Å; N37-T40 VanDerWaalsContact CB-OG1 3.27Å; N37-T40 WeakPolarHBondContact CB-OG1 3.4Å; N37-T40 PolarHBondContact ND2-OG1 3.12Å; N37-T40 PolarHBondContact OD1-N 3.2Å; N37-G41 WeakPolarHBondContact O-CA 3.35Å; N37-G41 PolarHBondContact O-N 3.49Å; N37-E42 HydrophobicContact CB-CB 4.28Å; N37-E42 PolarHBondContact N-O 2.81Å
38I96.2Very high93Very high71 Ų7139.2 Ų39.236%0.36423%0.233SC..THydrogen-bonded Turntrans-68.8-18-171.968.1-177.2000113.6I13 E16 K17 R19 V36I13-I38 HydrophobicContact CG2-CD1 4.42Å; E16-I38 WeakPolarHBondContact O-CD1 3.44Å; K17-I38 WeakPolarHBondContact O-CG1 3.47Å; K17-I38 PolarHBondContact O-N 3.03Å; R19-I38 HydrophobicContact CB-CG2 3.85Å; V36-I38 PolarHBondContact O-N 3.37Å
39V95.8Very high94.2Very high124 Ų12436.2 Ų36.275%0.75221%0.211SC*.THydrogen-bonded Turntrans-92.6-47.3179.3-179.40000110.6N37N37-V39 PolarHBondContact O-N 3Å; N37-V39 PolarHBondContact OD1-N 3.36Å
40T96.8Very high95.2Very high93 Ų9338.8 Ų38.857%0.57122%0.219SC*.THydrogen-bonded Turntrans-94.5-15.6-172.264.50000113.9N37 E42N37-T40 VanDerWaalsContact CB-OG1 3.27Å; N37-T40 WeakPolarHBondContact CB-OG1 3.4Å; N37-T40 PolarHBondContact ND2-OG1 3.12Å; N37-T40 PolarHBondContact OD1-N 3.2Å; T40-E42 PolarHBondContact O-N 3.13Å; T40-E42 VanDerWaalsContact OG1-CB 3.3Å; T40-E42 WeakPolarHBondContact OG1-CB 3.17Å; T40-E42 PolarHBondContact OG1-N 3.19Å
41G96.2Very high95.5Very high51 Ų5140.3 Ų40.353%0.52623%0.225SC..  trans71.93.6-170.800000114.1N37 E43N37-G41 WeakPolarHBondContact O-CA 3.35Å; N37-G41 PolarHBondContact O-N 3.49Å; G41-E43 PolarHBondContact O-N 3.04Å
42E96.7Very high95.1Very high83 Ų8350.8 Ų50.839%0.38826%0.26SS..  trans-66.2127.4-179.2-173.8-172.2-170.500111V36 N37 T40 V44 Q78V36-E42 WeakPolarHBondContact CA-O 3.47Å; N37-E42 HydrophobicContact CB-CB 4.28Å; N37-E42 PolarHBondContact N-O 2.81Å; T40-E42 PolarHBondContact O-N 3.13Å; T40-E42 VanDerWaalsContact OG1-CB 3.3Å; T40-E42 WeakPolarHBondContact OG1-CB 3.17Å; T40-E42 PolarHBondContact OG1-N 3.19Å; E42-V44 HydrophobicContact CG-CG1 4.48Å; E42-Q78 VanDerWaalsContact CD-NE2 3.29Å; E42-Q78 PolarHBondContact OE1-NE2 3.31Å; E42-Q78 VanDerWaalsContact OE1-NE2 3.12Å; E42-Q78 PolarHBondContact OE2-NE2 3.33Å
43E97.6Very high94.4Very high100 Ų10051.7 Ų51.747%0.46727%0.268SS..EExtended strand (participates in β ladder)trans-76.3135171.9-63.9-166.8138.400111.4L34 G35 V36 G41 L96L34-E43 HydrophobicContact CD1-CB 4.05Å; L34-E43 HydrophobicContact CD1-CG 4.41Å; G35-E43 WeakPolarHBondContact O-CA 3.15Å; V36-E43 HydrophobicContact CG2-CG 4.29Å; G41-E43 PolarHBondContact O-N 3.04Å; E43-L96 HydrophobicContact CB-CD2 3.75Å
44V98Very high93.4Very high0 Ų063 Ų630%031%0.31CS..EExtended strand (participates in β ladder)trans-135.9158.9-177-64.90000111.1W18 G35 E42 I46 V93W18-V44 HydrophobicContact CG-CG2 4.31Å; G35-V44 PolarHBondContact N-O 2.94Å; G35-V44 WeakPolarHBondContact O-CG2 3.08Å; G35-V44 PolarHBondContact O-N 3.28Å; E42-V44 HydrophobicContact CG-CG1 4.48Å; V44-I46 HydrophobicContact CG2-CD1 4.14Å; V44-I46 HydrophobicContact CG2-CG1 3.95Å; V44-V93 HydrophobicContact CB-CG1 3.77Å; V44-V93 HydrophobicContact CG1-CG1 4.05Å; V44-V93 HydrophobicContact CG2-CG1 3.68Å
45A97.6Very high92.4Very high12 Ų1269.4 Ų69.410%0.09934%0.34CS..EExtended strand (participates in β ladder)trans-94.5135.4165.200000109.9I32 F33 I94 L96I32-A45 HydrophobicContact CG2-CB 4.46Å; F33-A45 CarbonylContact O-C 3.54Å; F33-A45 WeakPolarHBondContact O-CA 3.46Å; A45-I94 HydrophobicContact CB-CG2 3.89Å; A45-I94 PolarHBondContact N-O 3.36Å; A45-I94 PolarHBondContact O-N 2.92Å; A45-L96 HydrophobicContact CB-CD1 4.13Å
46I96.8Very high91.6Very high0 Ų072.1 Ų72.10%036%0.358CS..EExtended strand (participates in β ladder)trans-121.7109.4179.8-51.6-172.2000109V14 W18 L20 I32 F33 V44 M48 M92 V93V14-I46 HydrophobicContact CG2-CD1 4.44Å; V14-I46 HydrophobicContact CG2-CG2 4.26Å; W18-I46 HydrophobicContact CB-CD1 3.64Å; W18-I46 HydrophobicContact CG-CD1 4.49Å; L20-I46 HydrophobicContact CD2-CB 4.02Å; L20-I46 HydrophobicContact CD2-CD1 3.83Å; L20-I46 HydrophobicContact CD2-CG1 4.38Å; L20-I46 HydrophobicContact CD2-CG2 4.12Å; I32-I46 WeakPolarHBondContact CA-O 3.37Å; F33-I46 PolarHBondContact N-O 3.13Å; F33-I46 PolarHBondContact O-N 3.05Å; V44-I46 HydrophobicContact CG2-CD1 4.14Å; V44-I46 HydrophobicContact CG2-CG1 3.95Å; I46-M48 HydrophobicContact CG2-CG 3.94Å; I46-M48 HydrophobicContact CG2-SD 4.47Å; I46-M92 WeakPolarHBondContact CA-O 3.47Å; I46-V93 HydrophobicContact CD1-CG2 4.31Å; I46-V93 HydrophobicContact CG1-CG1 4.39Å; I46-V93 HydrophobicContact CG1-CG2 4.2Å; I46-V93 HydrophobicContact CG2-CG2 4.37Å
47K95.4Very high91.1Very high21 Ų2172.1 Ų72.19%0.09136%0.356CS..EExtended strand (participates in β ladder)trans-89.4125.2173.6-169.5169.8-175-178.30108.5I32 L58 E61 A91 M92 D161I32-K47 HydrophobicContact CG1-CG 4.34Å; K47-L58 HydrophobicContact CB-CD1 4.16Å; K47-L58 HydrophobicContact CD-CD1 3.61Å; K47-L58 HydrophobicContact CG-CD1 3.79Å; K47-E61 WeakPolarHBondContact CE-OE2 3.44Å; K47-E61 IonicContact NZ-OE1 3.95Å; K47-E61 PolarHBondContact NZ-OE1 3.31Å; K47-E61 IonicContact NZ-OE2 4Å; K47-E61 PolarHBondContact NZ-OE2 2.95Å; K47-A91 WeakPolarHBondContact O-CA 3.29Å; K47-M92 HydrophobicContact CB-CB 4.48Å; K47-M92 HydrophobicContact CB-CE 4.34Å; K47-M92 HydrophobicContact CD-CE 4.11Å; K47-M92 PolarHBondContact N-O 3.2Å; K47-M92 PolarHBondContact O-N 3.3Å; K47-D161 IonicContact NZ-OD1 3.4Å; K47-D161 PolarHBondContact NZ-OD1 3.37Å
48M93.6Very high90.8Very high3 Ų371.3 Ų71.32%0.01535%0.351CS..EExtended strand (participates in β ladder)trans-121.8129179.9-58.5-159.6-46.500111.6L7 Y12 V14 L20 G30 S31 F33 I46 Y89 H90L7-M48 HydrophobicContact CB-CE 4.07Å; L7-M48 HydrophobicContact CD1-CE 3.42Å; L7-M48 VanDerWaalsContact CD1-CE 3.42Å; L7-M48 HydrophobicContact CD2-CE 3.43Å; L7-M48 VanDerWaalsContact CD2-CE 3.43Å; L7-M48 HydrophobicContact CG-CE 3.79Å; Y12-M48 HydrophobicContact CE1-SD 4.31Å; V14-M48 HydrophobicContact CG2-SD 4.28Å; L20-M48 HydrophobicContact CD1-CE 3.79Å; L20-M48 HydrophobicContact CD1-SD 3.89Å; L20-M48 HydrophobicContact CD2-SD 4.39Å; G30-M48 WeakPolarHBondContact CA-O 3.41Å; S31-M48 PolarHBondContact N-O 2.99Å; S31-M48 VanDerWaalsContact N-O 3.1Å; S31-M48 PolarHBondContact O-N 3.13Å; F33-M48 HydrophobicContact CD2-CE 3.93Å; F33-M48 HydrophobicContact CD2-CG 4.39Å; F33-M48 HydrophobicContact CE2-CE 3.47Å; F33-M48 VanDerWaalsContact CE2-CE 3.47Å; F33-M48 HydrophobicContact CZ-CE 4.06Å; I46-M48 HydrophobicContact CG2-CG 3.94Å; I46-M48 HydrophobicContact CG2-SD 4.47Å; M48-Y89 HydrophobicContact CB-CD1 4.32Å; M48-H90 WeakPolarHBondContact CA-O 3.42Å
49E92.9Very high90.7Very high5 Ų573.7 Ų73.72%0.02336%0.357CS..EExtended strand (participates in β ladder)trans-125.6136.2178.6174.8175.7-133.200109.2F29 V51 C56 Q57 L58 Y89 H90F29-E49 WeakPolarHBondContact O-CG 3.43Å; E49-V51 PolarHBondContact O-N 3.19Å; E49-C56 WeakPolarHBondContact OE1-CA 3.47Å; E49-Q57 PolarHBondContact OE1-N 2.91Å; E49-Q57 PolarHBondContact OE2-N 3.49Å; E49-Q57 VanDerWaalsContact OE2-N 3.12Å; E49-L58 HydrophobicContact CB-CB 4.14Å; E49-L58 HydrophobicContact CB-CD2 4.02Å; E49-L58 WeakPolarHBondContact OE2-CB 3.41Å; E49-L58 PolarHBondContact OE2-N 3.32Å; E49-Y89 CarbonylContact O-C 3.05Å; E49-Y89 WeakPolarHBondContact O-CA 3.22Å; E49-H90 PolarHBondContact N-O 2.94Å; E49-H90 PolarHBondContact O-N 3.11Å
50R91.7Very high90.6Very high118 Ų11871.6 Ų71.645%0.44534%0.338SS..EExtended strand (participates in β ladder)trans-66.4134.6177.2-79.2178.1161.7-169.6-12.8110.6D3 R52 T53 Y89D3-R50 IonicContact OD1-CZ 3.03Å; D3-R50 IonicContact OD1-NH2 3.01Å; D3-R50 PolarHBondContact OD1-NH2 2.97Å; D3-R50 IonicContact OD2-CZ 2.75Å; D3-R50 IonicContact OD2-NE 2.69Å; D3-R50 IonicContact OD2-NH1 3.8Å; D3-R50 IonicContact OD2-NH2 3.86Å; D3-R50 PolarHBondContact OD2-NH2 3.41Å; R50-R52 VanDerWaalsContact C-N 3.28Å; R50-R52 PolarHBondContact O-N 2.84Å; R50-T53 HydrophobicContact CB-CG2 3.69Å; R50-T53 WeakPolarHBondContact O-CG2 3.21Å; R50-T53 PolarHBondContact O-N 3.11Å; R50-T53 PolarHBondContact O-OG1 3.05Å; R50-Y89 HydrophobicContact CB-CD1 4.46Å; R50-Y89 HydrophobicContact CB-CE1 4.41Å; R50-Y89 HydrophobicContact CG-CD1 3.78Å; R50-Y89 HydrophobicContact CG-CE1 3.3Å
51V89.6Confident90.5Very high49 Ų4967.4 Ų67.430%0.29731%0.311SS..THydrogen-bonded Turntrans-61.1-35.2-178.7175.50000112.3E49 T53 C56 L82 L88E49-V51 PolarHBondContact O-N 3.19Å; V51-T53 PolarHBondContact O-N 3.26Å; V51-C56 PolarHBondContact O-SG 2.62Å; V51-C56 VanDerWaalsContact O-SG 3.41Å; V51-L82 HydrophobicContact CG2-CD2 3.63Å; V51-L88 WeakPolarHBondContact CG2-O 3.18Å; V51-L88 PolarHBondContact N-O 3.36Å
52R83.1Confident90.5Very high245 Ų24565 Ų6593%0.92529%0.287SS*.THydrogen-bonded Turntrans-93.733.1-176.5-63.8-173.9177.3177.1-0.8114R50R50-R52 VanDerWaalsContact C-N 3.28Å; R50-R52 PolarHBondContact O-N 2.84Å
53T80.6Confident90.4Very high53 Ų5365.7 Ų65.733%0.32529%0.289SS..  trans-85.1152.1174.7570000111R50 V51 H55 C56R50-T53 HydrophobicContact CB-CG2 3.69Å; R50-T53 WeakPolarHBondContact O-CG2 3.21Å; R50-T53 PolarHBondContact O-N 3.11Å; R50-T53 PolarHBondContact O-OG1 3.05Å; V51-T53 PolarHBondContact O-N 3.26Å; T53-H55 PolarHBondContact O-N 3.32Å; T53-C56 PolarHBondContact OG1-SG 3.33Å
54R74.8Confident90.4Very high238 Ų23861 Ų6190%0.89827%0.267SS*.SBendtrans-62.2-28.3180-71.7-174.7177.9-179.9-0.6112.9
55H74.6Confident90.3Very high137 Ų13761.4 Ų61.463%0.63427%0.268SS*.SBendtrans-137.579.1-174.7-57.6-53000110.1T53 Q57T53-H55 PolarHBondContact O-N 3.32Å; H55-Q57 PolarHBondContact O-N 3.48Å
56C80.3Confident90.2Very high57 Ų5767.9 Ų67.939%0.38529%0.29SS..  trans-69.4115175.8-59.80000110.6E49 V51 T53E49-C56 WeakPolarHBondContact OE1-CA 3.47Å; V51-C56 PolarHBondContact O-SG 2.62Å; V51-C56 VanDerWaalsContact O-SG 3.41Å; T53-C56 PolarHBondContact OG1-SG 3.33Å
57Q87Confident90.1Very high35 Ų3571.3 Ų71.316%0.16431%0.311CS..  trans-103.6-22.9-178.8-62-162.9-6.100113.5F29 E49 H55 Y59 F60 E61 G163F29-Q57 HydrophobicContact CD1-CG 4.11Å; F29-Q57 HydrophobicContact CD2-CB 4.43Å; F29-Q57 HydrophobicContact CD2-CG 4.26Å; F29-Q57 HydrophobicContact CE1-CG 4.23Å; F29-Q57 VanDerWaalsContact CE1-NE2 3.31Å; F29-Q57 HydrophobicContact CE2-CG 4.38Å; F29-Q57 HydrophobicContact CG-CB 4.42Å; F29-Q57 HydrophobicContact CG-CG 4.15Å; F29-Q57 HydrophobicContact CZ-CG 4.38Å; F29-Q57 VanDerWaalsContact CZ-OE1 3.27Å; E49-Q57 PolarHBondContact OE1-N 2.91Å; E49-Q57 PolarHBondContact OE2-N 3.49Å; E49-Q57 VanDerWaalsContact OE2-N 3.12Å; H55-Q57 PolarHBondContact O-N 3.48Å; Q57-Y59 VanDerWaalsContact C-N 3.3Å; Q57-Y59 PolarHBondContact O-N 3Å; Q57-F60 PolarHBondContact O-N 3.21Å; Q57-F60 VanDerWaalsContact O-N 3.14Å; Q57-E61 WeakPolarHBondContact O-CB 3.47Å; Q57-E61 PolarHBondContact O-N 3.31Å; Q57-G163 VanDerWaalsContact OE1-C 3.32Å; Q57-G163 PolarHBondContact OE1-O 2.76Å
58L91.8Very high90.2Very high2 Ų270.3 Ų70.31%0.0131%0.307CS..Hα-helixtrans-66.2-31.8-170-163.862.5000112.6K47 E49 S62 Y80 H90 M92K47-L58 HydrophobicContact CB-CD1 4.16Å; K47-L58 HydrophobicContact CD-CD1 3.61Å; K47-L58 HydrophobicContact CG-CD1 3.79Å; E49-L58 HydrophobicContact CB-CB 4.14Å; E49-L58 HydrophobicContact CB-CD2 4.02Å; E49-L58 WeakPolarHBondContact OE2-CB 3.41Å; E49-L58 PolarHBondContact OE2-N 3.32Å; L58-S62 WeakPolarHBondContact O-CB 3.44Å; L58-S62 PolarHBondContact O-N 3.4Å; L58-Y80 HydrophobicContact CB-CE2 4.31Å; L58-Y80 HydrophobicContact CD2-CE2 4.44Å; L58-Y80 HydrophobicContact CG-CD2 4.39Å; L58-Y80 HydrophobicContact CG-CE2 3.99Å; L58-Y80 WeakPolarHBondContact O-CE2 3.14Å; L58-H90 HydrophobicContact CD2-CB 4.03Å; L58-H90 WeakPolarHBondContact CD2-O 3.49Å; L58-M92 HydrophobicContact CD1-CB 3.81Å; L58-M92 HydrophobicContact CD1-CE 3.81Å; L58-M92 HydrophobicContact CD1-SD 3.96Å; L58-M92 HydrophobicContact CD2-CB 4.03Å; L58-M92 HydrophobicContact CG-CB 3.99Å
59Y92.9Very high90.1Very high121 Ų12176.8 Ų76.848%0.47533%0.331SS..Hα-helixtrans-60.8-50.9173-179.2-108.9000111.8Q57 S62 K63 Y80Q57-Y59 VanDerWaalsContact C-N 3.3Å; Q57-Y59 PolarHBondContact O-N 3Å; Y59-S62 PolarHBondContact O-N 2.95Å; Y59-S62 PolarHBondContact O-OG 2.73Å; Y59-K63 HydrophobicContact CE1-CG 4.38Å; Y59-K63 WeakPolarHBondContact O-CG 3.49Å; Y59-K63 PolarHBondContact O-N 2.74Å; Y59-K63 WeakPolarHBondContact OH-CE 3.26Å; Y59-K63 PolarHBondContact OH-NZ 3.03Å; Y59-Y80 VanDerWaalsContact CA-OH 3.27Å; Y59-Y80 WeakPolarHBondContact CA-OH 3.11Å; Y59-Y80 VanDerWaalsContact CB-OH 3.26Å; Y59-Y80 WeakPolarHBondContact CB-OH 3.22Å; Y59-Y80 AromaticContact CD2-CE1 3.57Å; Y59-Y80 HydrophobicContact CD2-CE1 3.57Å; Y59-Y80 AromaticContact CD2-CZ 3.76Å; Y59-Y80 HydrophobicContact CE2-CE1 4.26Å
60F94.1Very high90Very high81 Ų8184.1 Ų84.136%0.35537%0.365SS..Hα-helixtrans-63.1-47.6178.9172.3-96.2000110.6Q57 S62 K63 V64 F136 A165Q57-F60 PolarHBondContact O-N 3.21Å; Q57-F60 VanDerWaalsContact O-N 3.14Å; F60-S62 VanDerWaalsContact C-N 3.29Å; F60-S62 PolarHBondContact O-N 3.32Å; F60-K63 WeakPolarHBondContact O-CA 3.31Å; F60-K63 WeakPolarHBondContact O-CB 3.49Å; F60-K63 PolarHBondContact O-N 3.3Å; F60-V64 HydrophobicContact CD1-CG2 4.11Å; F60-V64 HydrophobicContact CE1-CG2 3.59Å; F60-V64 HydrophobicContact CE2-CG2 4.21Å; F60-V64 HydrophobicContact CZ-CG2 3.66Å; F60-V64 WeakPolarHBondContact O-CG2 3.33Å; F60-V64 PolarHBondContact O-N 3.36Å; F60-F136 HydrophobicContact CZ-CE1 4.33Å; F60-A165 HydrophobicContact CE1-CB 4.34Å; F60-A165 WeakPolarHBondContact CE1-O 3.42Å; F60-A165 WeakPolarHBondContact CZ-O 3.3Å
61E95.4Very high90.1Very high4 Ų479.1 Ų79.12%0.01935%0.348CS..Hα-helixtrans-55-45.1176.9-172.9180-177.100111.5K47 Q57 K63 V64 Y65 M92 F162K47-E61 WeakPolarHBondContact CE-OE2 3.44Å; K47-E61 IonicContact NZ-OE1 3.95Å; K47-E61 PolarHBondContact NZ-OE1 3.31Å; K47-E61 IonicContact NZ-OE2 4Å; K47-E61 PolarHBondContact NZ-OE2 2.95Å; Q57-E61 WeakPolarHBondContact O-CB 3.47Å; Q57-E61 PolarHBondContact O-N 3.31Å; E61-K63 VanDerWaalsContact C-N 3.27Å; E61-K63 PolarHBondContact O-N 3.42Å; E61-V64 PolarHBondContact O-N 3.24Å; E61-V64 VanDerWaalsContact O-N 3.11Å; E61-Y65 HydrophobicContact CG-CD2 3.91Å; E61-Y65 HydrophobicContact CG-CE2 3.68Å; E61-Y65 WeakPolarHBondContact O-CD2 3.49Å; E61-Y65 PolarHBondContact O-N 2.99Å; E61-M92 HydrophobicContact CG-CE 4.42Å; E61-F162 HydrophobicContact CG-CB 4.07Å
62S95.3Very high90.4Very high1 Ų179.9 Ų79.91%0.00735%0.354CS..Hα-helixtrans-60.3-35.6176.982.80000113L58 Y59 F60 R66 Y80L58-S62 WeakPolarHBondContact O-CB 3.44Å; L58-S62 PolarHBondContact O-N 3.4Å; Y59-S62 PolarHBondContact O-N 2.95Å; Y59-S62 PolarHBondContact O-OG 2.73Å; F60-S62 VanDerWaalsContact C-N 3.29Å; F60-S62 PolarHBondContact O-N 3.32Å; S62-R66 VanDerWaalsContact O-CG 3.31Å; S62-R66 WeakPolarHBondContact O-CG 3.42Å; S62-R66 PolarHBondContact O-N 3.09Å; S62-R66 VanDerWaalsContact O-N 3.1Å; S62-Y80 VanDerWaalsContact CB-CD2 3.41Å
63K95.5Very high91Very high98 Ų9868.3 Ų68.343%0.42631%0.311SS..Hα-helixtrans-69.3-39.4175.8-70.5-93.5-174.4168.10111.1Y59 F60 E61 R66 V67Y59-K63 HydrophobicContact CE1-CG 4.38Å; Y59-K63 WeakPolarHBondContact O-CG 3.49Å; Y59-K63 PolarHBondContact O-N 2.74Å; Y59-K63 WeakPolarHBondContact OH-CE 3.26Å; Y59-K63 PolarHBondContact OH-NZ 3.03Å; F60-K63 WeakPolarHBondContact O-CA 3.31Å; F60-K63 WeakPolarHBondContact O-CB 3.49Å; F60-K63 PolarHBondContact O-N 3.3Å; E61-K63 VanDerWaalsContact C-N 3.27Å; E61-K63 PolarHBondContact O-N 3.42Å; K63-R66 PolarHBondContact O-N 3.3Å; K63-V67 PolarHBondContact O-N 2.78Å
64V96.7Very high91.8Very high1 Ų166.1 Ų66.11%0.00630%0.297CS..Hα-helixtrans-62.7-50.4176.3-179.80000110F60 E61 R66 V67 L68 F136 F162F60-V64 HydrophobicContact CD1-CG2 4.11Å; F60-V64 HydrophobicContact CE1-CG2 3.59Å; F60-V64 HydrophobicContact CE2-CG2 4.21Å; F60-V64 HydrophobicContact CZ-CG2 3.66Å; F60-V64 WeakPolarHBondContact O-CG2 3.33Å; F60-V64 PolarHBondContact O-N 3.36Å; E61-V64 PolarHBondContact O-N 3.24Å; E61-V64 VanDerWaalsContact O-N 3.11Å; V64-R66 VanDerWaalsContact C-N 3.26Å; V64-R66 PolarHBondContact O-N 3.17Å; V64-V67 WeakPolarHBondContact O-CB 3.47Å; V64-V67 PolarHBondContact O-N 2.87Å; V64-L68 HydrophobicContact CG1-CD1 3.78Å; V64-L68 HydrophobicContact CG1-CG 4.23Å; V64-L68 WeakPolarHBondContact O-CG 3.46Å; V64-L68 PolarHBondContact O-N 3.04Å; V64-F136 HydrophobicContact CG1-CD1 4.29Å; V64-F136 HydrophobicContact CG1-CE1 4.34Å; V64-F136 HydrophobicContact CG1-CG 4.46Å; V64-F136 HydrophobicContact CG2-CD1 4.23Å; V64-F136 HydrophobicContact CG2-CE1 3.72Å; V64-F136 HydrophobicContact CG2-CZ 4.2Å; V64-F162 HydrophobicContact CB-CB 4.04Å; V64-F162 HydrophobicContact CB-CG 4.46Å; V64-F162 HydrophobicContact CG1-CB 3.81Å; V64-F162 HydrophobicContact CG1-CD1 3.81Å; V64-F162 HydrophobicContact CG1-CG 3.79Å
65Y97.3Very high92.9Very high9 Ų955 Ų554%0.03526%0.255CS..Hα-helixtrans-55.7-39.2175.3-84.7-67.8000113.1E61 V67 L68 R69 I74 P75 I77 M92 I94 D161 F162E61-Y65 HydrophobicContact CG-CD2 3.91Å; E61-Y65 HydrophobicContact CG-CE2 3.68Å; E61-Y65 WeakPolarHBondContact O-CD2 3.49Å; E61-Y65 PolarHBondContact O-N 2.99Å; Y65-V67 VanDerWaalsContact C-N 3.33Å; Y65-V67 PolarHBondContact O-N 2.72Å; Y65-L68 CarbonylContact O-C 3.48Å; Y65-L68 PolarHBondContact O-N 3.36Å; Y65-L68 VanDerWaalsContact O-N 3.12Å; Y65-R69 PolarHBondContact O-N 3.29Å; Y65-I74 HydrophobicContact CD1-CG2 3.71Å; Y65-I74 HydrophobicContact CE1-CG2 4.02Å; Y65-P75 HydrophobicContact CE1-CG 3.75Å; Y65-I77 HydrophobicContact CD2-CD1 3.7Å; Y65-I77 HydrophobicContact CD2-CG1 4.28Å; Y65-I77 HydrophobicContact CG-CD1 3.65Å; Y65-I77 HydrophobicContact CG-CG1 3.99Å; Y65-M92 HydrophobicContact CD2-CE 4.19Å; Y65-M92 HydrophobicContact CD2-SD 4.04Å; Y65-M92 HydrophobicContact CE2-CE 3.8Å; Y65-M92 HydrophobicContact CE2-SD 4.28Å; Y65-I94 HydrophobicContact CD1-CD1 4.02Å; Y65-I94 HydrophobicContact CD2-CD1 4.27Å; Y65-I94 HydrophobicContact CE1-CD1 3.6Å; Y65-I94 HydrophobicContact CE2-CD1 3.85Å; Y65-I94 HydrophobicContact CG-CD1 4.35Å; Y65-I94 VanDerWaalsContact CZ-CD1 3.49Å; Y65-D161 PolarHBondContact OH-N 3.26Å; Y65-F162 HydrophobicContact CD1-CD2 4.12Å; Y65-F162 HydrophobicContact CD1-CE2 4.11Å; Y65-F162 HydrophobicContact CD2-CD2 4.24Å; Y65-F162 AromaticContact CE1-CD2 3.68Å; Y65-F162 HydrophobicContact CE1-CD2 3.68Å; Y65-F162 AromaticContact CE1-CE2 3.57Å; Y65-F162 HydrophobicContact CE1-CE2 3.57Å; Y65-F162 AromaticContact CE2-CD2 3.85Å; Y65-F162 HydrophobicContact CE2-CD2 3.85Å; Y65-F162 HydrophobicContact CG-CD2 4.37Å; Y65-F162 AromaticContact CZ-CD2 3.54Å; Y65-F162 AromaticContact CZ-CE2 3.85Å
66R95.4Very high93.9Very high147 Ų14754.9 Ų54.956%0.55525%0.249SC*.Hα-helixtrans-61.3-38.7175-74.9175.6-173.9-150.93.4112.7S62 K63 V64 L68S62-R66 VanDerWaalsContact O-CG 3.31Å; S62-R66 WeakPolarHBondContact O-CG 3.42Å; S62-R66 PolarHBondContact O-N 3.09Å; S62-R66 VanDerWaalsContact O-N 3.1Å; K63-R66 PolarHBondContact O-N 3.3Å; V64-R66 VanDerWaalsContact C-N 3.26Å; V64-R66 PolarHBondContact O-N 3.17Å; R66-L68 VanDerWaalsContact C-N 3.29Å
67V95.2Very high94.6Very high73 Ų7352.9 Ų52.944%0.44224%0.235SC..Hα-helixtrans-69.2-31.3175176.70000111.5K63 V64 Y65 F136K63-V67 PolarHBondContact O-N 2.78Å; V64-V67 WeakPolarHBondContact O-CB 3.47Å; V64-V67 PolarHBondContact O-N 2.87Å; Y65-V67 VanDerWaalsContact C-N 3.33Å; Y65-V67 PolarHBondContact O-N 2.72Å; V67-F136 HydrophobicContact CB-CE2 4.34Å; V67-F136 HydrophobicContact CG1-CE2 4.01Å
68L96.1Very high95Very high0 Ų054.3 Ų54.30%024%0.241CC..Hα-helixtrans-92.5-2.6-176.3-61.4-177.4000114.6V64 Y65 R66 E70 T71 I74 I131 K134 F162V64-L68 HydrophobicContact CG1-CD1 3.78Å; V64-L68 HydrophobicContact CG1-CG 4.23Å; V64-L68 WeakPolarHBondContact O-CG 3.46Å; V64-L68 PolarHBondContact O-N 3.04Å; Y65-L68 CarbonylContact O-C 3.48Å; Y65-L68 PolarHBondContact O-N 3.36Å; Y65-L68 VanDerWaalsContact O-N 3.12Å; R66-L68 VanDerWaalsContact C-N 3.29Å; L68-E70 VanDerWaalsContact C-N 3.28Å; L68-E70 PolarHBondContact O-N 3.4Å; L68-T71 WeakPolarHBondContact O-CB 3.44Å; L68-T71 PolarHBondContact O-N 2.88Å; L68-T71 PolarHBondContact O-OG1 2.95Å; L68-I74 HydrophobicContact CB-CG1 4.19Å; L68-I74 HydrophobicContact CB-CG2 3.97Å; L68-I74 HydrophobicContact CD1-CD1 4.29Å; L68-I131 HydrophobicContact CD1-CG1 4.27Å; L68-K134 HydrophobicContact CD2-CB 3.57Å; L68-K134 HydrophobicContact CD2-CG 3.67Å; L68-F162 HydrophobicContact CD1-CD1 4.09Å; L68-F162 HydrophobicContact CD1-CE1 3.53Å; L68-F162 HydrophobicContact CD1-CE2 4.04Å; L68-F162 HydrophobicContact CD1-CZ 3.52Å
69R92.5Very high95.2Very high138 Ų13856.7 Ų56.752%0.52125%0.252SS..THydrogen-bonded Turntrans-47.7-39.7-166.8-167.5-177.1-140.6-177.13.8116Y65 T71 I77Y65-R69 PolarHBondContact O-N 3.29Å; R69-T71 VanDerWaalsContact C-N 3.3Å; R69-T71 PolarHBondContact O-N 3.41Å; R69-I77 PolarHBondContact NH2-O 3.05Å
70E90Very high95.4Very high160 Ų16052.4 Ų52.475%0.74824%0.235SC*.THydrogen-bonded Turntrans-91.813.6-176.7-55.8-50.4130.700113.5L68L68-E70 VanDerWaalsContact C-N 3.28Å; L68-E70 PolarHBondContact O-N 3.4Å
71T94.4Very high95.5Very high12 Ų1249.3 Ų49.37%0.07423%0.225CC..SBendtrans-93.8127.1-176.2-54.40000110.4L68 R69 G73 I74 F130L68-T71 WeakPolarHBondContact O-CB 3.44Å; L68-T71 PolarHBondContact O-N 2.88Å; L68-T71 PolarHBondContact O-OG1 2.95Å; R69-T71 VanDerWaalsContact C-N 3.3Å; R69-T71 PolarHBondContact O-N 3.41Å; T71-G73 PolarHBondContact O-N 2.82Å; T71-I74 HydrophobicContact CG2-CG1 3.85Å; T71-I74 WeakPolarHBondContact O-CB 3.5Å; T71-I74 PolarHBondContact O-N 3.05Å; T71-I74 VanDerWaalsContact O-N 3.17Å; T71-F130 HydrophobicContact CG2-CB 3.24Å; T71-F130 HydrophobicContact CG2-CD2 3.7Å; T71-F130 HydrophobicContact CG2-CG 3.63Å
72P94.8Very high95.5Very high66 Ų6652.7 Ų52.743%0.42924%0.243SC..THydrogen-bonded Turntrans-56.6130.3176.8-26.234.8000112.9F130P72-F130 HydrophobicContact CB-CE2 4.07Å; P72-F130 HydrophobicContact CG-CE2 4.15Å; P72-F130 HydrophobicContact CG-CZ 4.35Å
73G97Very high95.4Very high2 Ų252.6 Ų52.62%0.02124%0.243CC..THydrogen-bonded Turntrans79.817.4-179.900000114.7T71 F158 I159T71-G73 PolarHBondContact O-N 2.82Å; G73-F158 WeakPolarHBondContact O-CA 3.22Å; G73-F158 WeakPolarHBondContact O-CD1 3.35Å; G73-I159 PolarHBondContact O-N 2.91Å
74I97.8Very high95.3Very high7 Ų750 Ų504%0.03624%0.243CC..  trans-104.7125164.6-57.7-59.3000108.1Y65 L68 T71 I159 F162Y65-I74 HydrophobicContact CD1-CG2 3.71Å; Y65-I74 HydrophobicContact CE1-CG2 4.02Å; L68-I74 HydrophobicContact CB-CG1 4.19Å; L68-I74 HydrophobicContact CB-CG2 3.97Å; L68-I74 HydrophobicContact CD1-CD1 4.29Å; T71-I74 HydrophobicContact CG2-CG1 3.85Å; T71-I74 WeakPolarHBondContact O-CB 3.5Å; T71-I74 PolarHBondContact O-N 3.05Å; T71-I74 VanDerWaalsContact O-N 3.17Å; I74-I159 HydrophobicContact CD1-CG2 3.5Å; I74-I159 VanDerWaalsContact CD1-CG2 3.5Å; I74-F162 HydrophobicContact CD1-CE2 4.17Å; I74-F162 HydrophobicContact CD1-CZ 3.69Å
75P96.8Very high94.8Very high3 Ų353 Ų532%0.01926%0.261CS..PPolyproline II helixtrans-68.7144.4178.728.1-34.8000111.5Y65 I94 E95 L97 F158 I160Y65-P75 HydrophobicContact CE1-CG 3.75Å; P75-I94 HydrophobicContact CB-CD1 4.06Å; P75-I94 HydrophobicContact CB-CG1 4Å; P75-I94 HydrophobicContact CG-CD1 3.7Å; P75-I94 HydrophobicContact CG-CG1 4.21Å; P75-E95 HydrophobicContact CB-CB 4.01Å; P75-L97 HydrophobicContact CB-CD1 4.1Å; P75-L97 HydrophobicContact CB-CD2 4.5Å; P75-L97 HydrophobicContact CB-CG 4.43Å; P75-L97 HydrophobicContact CG-CD1 4.2Å; P75-F158 HydrophobicContact CB-CD1 4.44Å; P75-I160 HydrophobicContact CG-CG2 3.99Å
76R95Very high94.4Very high136 Ų13661.2 Ų61.251%0.51329%0.292SS..PPolyproline II helixtrans-79.2127-175.8-68.7173.7-67.8-177.63.3111.7I94 E95R76-I94 WeakPolarHBondContact O-CA 3.46Å; R76-I94 WeakPolarHBondContact O-CG1 3.07Å; R76-E95 IonicContact CZ-OE1 2.58Å; R76-E95 PolarHBondContact N-OE2 3.47Å; R76-E95 IonicContact NE-OE1 3.71Å; R76-E95 IonicContact NE-OE2 2.84Å; R76-E95 PolarHBondContact NE-OE2 3.2Å; R76-E95 IonicContact NH2-OE1 3.17Å; R76-E95 PolarHBondContact NH2-OE1 3.38Å; R76-E95 PolarHBondContact O-N 3.39Å
77I95.2Very high94.2Very high14 Ų1458.2 Ų58.27%0.07229%0.288CS..EExtended strand (participates in β ladder)trans-75128.2166.4-75.5-173.3000110Y65 R69 M92 I94Y65-I77 HydrophobicContact CD2-CD1 3.7Å; Y65-I77 HydrophobicContact CD2-CG1 4.28Å; Y65-I77 HydrophobicContact CG-CD1 3.65Å; Y65-I77 HydrophobicContact CG-CG1 3.99Å; R69-I77 PolarHBondContact NH2-O 3.05Å; I77-M92 HydrophobicContact CD1-CG 3.84Å; I77-M92 HydrophobicContact CD1-SD 3.45Å; I77-M92 WeakPolarHBondContact CD1-SD 3.25Å; I77-M92 HydrophobicContact CG1-CG 4.24Å; I77-M92 HydrophobicContact CG1-SD 4.22Å; I77-I94 HydrophobicContact CG1-CB 4.5Å; I77-I94 HydrophobicContact CG1-CD1 3.9Å; I77-I94 HydrophobicContact CG1-CG1 4Å
78Q95.4Very high94Very high66 Ų6659.3 Ų59.331%0.30829%0.29SS..EExtended strand (participates in β ladder)trans-94.4-38.8170.9-58.8-165.48.100111.7W18 E42 V93W18-Q78 HydrophobicContact CZ2-CB 4.2Å; E42-Q78 VanDerWaalsContact CD-NE2 3.29Å; E42-Q78 PolarHBondContact OE1-NE2 3.31Å; E42-Q78 VanDerWaalsContact OE1-NE2 3.12Å; E42-Q78 PolarHBondContact OE2-NE2 3.33Å; Q78-V93 HydrophobicContact CB-CB 4.41Å; Q78-V93 HydrophobicContact CB-CG1 4.21Å; Q78-V93 PolarHBondContact N-O 3.45Å
79F96.9Very high93.9Very high51 Ų5160.3 Ų60.322%0.22429%0.294CS..EExtended strand (participates in β ladder)trans-150.2147.6-176.9173.8-97.1000112.3V14 A15 W18 A91 M92 V93V14-F79 HydrophobicContact CG1-CE1 4.37Å; A15-F79 HydrophobicContact CB-CD1 4.35Å; A15-F79 HydrophobicContact CB-CD2 4.4Å; A15-F79 HydrophobicContact CB-CE1 3.79Å; A15-F79 HydrophobicContact CB-CE2 3.85Å; A15-F79 HydrophobicContact CB-CZ 3.5Å; W18-F79 HydrophobicContact CH2-CB 3.55Å; W18-F79 HydrophobicContact CH2-CD2 4.41Å; W18-F79 HydrophobicContact CH2-CG 4.1Å; W18-F79 HydrophobicContact CZ2-CB 4.31Å; W18-F79 HydrophobicContact CZ3-CB 3.69Å; W18-F79 HydrophobicContact CZ3-CD1 4.27Å; W18-F79 HydrophobicContact CZ3-CD2 4.15Å; W18-F79 AromaticContact CZ3-CG 3.79Å; W18-F79 HydrophobicContact CZ3-CG 3.79Å; F79-A91 HydrophobicContact CE1-CB 4.49Å; F79-M92 CarbonylContact O-C 3.58Å; F79-M92 WeakPolarHBondContact O-CA 3.34Å; F79-V93 HydrophobicContact CB-CB 3.98Å; F79-V93 HydrophobicContact CB-CG2 4.03Å; F79-V93 HydrophobicContact CD1-CG2 4.06Å; F79-V93 PolarHBondContact N-O 3.5Å; F79-V93 PolarHBondContact O-N 2.97Å
80Y96.4Very high94Very high32 Ų3255.5 Ų55.513%0.12528%0.278CS..EExtended strand (participates in β ladder)trans-142.5131.9162.5170.8-88.3000108.7L58 Y59 S62 H90 A91 M92L58-Y80 HydrophobicContact CB-CE2 4.31Å; L58-Y80 HydrophobicContact CD2-CE2 4.44Å; L58-Y80 HydrophobicContact CG-CD2 4.39Å; L58-Y80 HydrophobicContact CG-CE2 3.99Å; L58-Y80 WeakPolarHBondContact O-CE2 3.14Å; Y59-Y80 VanDerWaalsContact CA-OH 3.27Å; Y59-Y80 WeakPolarHBondContact CA-OH 3.11Å; Y59-Y80 VanDerWaalsContact CB-OH 3.26Å; Y59-Y80 WeakPolarHBondContact CB-OH 3.22Å; Y59-Y80 AromaticContact CD2-CE1 3.57Å; Y59-Y80 HydrophobicContact CD2-CE1 3.57Å; Y59-Y80 AromaticContact CD2-CZ 3.76Å; Y59-Y80 HydrophobicContact CE2-CE1 4.26Å; S62-Y80 VanDerWaalsContact CB-CD2 3.41Å; Y80-H90 HydrophobicContact CE2-CB 4.4Å; Y80-H90 PolarHBondContact OH-ND1 3.15Å; Y80-A91 WeakPolarHBondContact CA-O 3.36Å; Y80-M92 HydrophobicContact CD2-CB 4.23Å
81G95.8Very high94.3Very high15 Ų1547.9 Ų47.916%0.15524%0.242CC..EExtended strand (participates in β ladder)trans177.5-164.9178.300000112.2H90 A91G81-H90 CarbonylContact O-C 3.47Å; G81-H90 WeakPolarHBondContact O-CA 3.49Å; G81-A91 PolarHBondContact N-O 2.89Å; G81-A91 PolarHBondContact O-N 3.25Å
82L95.5Very high94.4Very high75 Ų7547.4 Ų47.439%0.39324%0.239SC..EExtended strand (participates in β ladder)trans-71.6155.8164.7-66.9167.8000109.5V51 G84 N87 Y89V51-L82 HydrophobicContact CG2-CD2 3.63Å; L82-G84 PolarHBondContact O-N 2.82Å; L82-N87 HydrophobicContact CB-CB 4.38Å; L82-N87 WeakPolarHBondContact CB-OD1 3.31Å; L82-N87 HydrophobicContact CD1-CB 4.1Å; L82-N87 HydrophobicContact CD2-CB 4.49Å; L82-Y89 CarbonylContact C-O 3.58Å; L82-Y89 WeakPolarHBondContact CA-O 3.34Å
83D94.3Very high94.5Very high0 Ų044.3 Ų44.30%022%0.219CC..  trans-60.1-23.7-179.462.231.9000114.3Y12 V14 A15 V85 R86 N87 L88 Y89Y12-D83 HydrophobicContact CE1-CB 4.3Å; Y12-D83 VanDerWaalsContact OH-CG 3.26Å; Y12-D83 PolarHBondContact OH-OD2 3.35Å; V14-D83 CarbonylContact C-O 3.58Å; V14-D83 WeakPolarHBondContact CA-O 3.49Å; A15-D83 PolarHBondContact N-O 2.96Å; D83-V85 PolarHBondContact O-N 3.38Å; D83-V85 PolarHBondContact OD1-N 3.08Å; D83-R86 PolarHBondContact OD1-N 2.91Å; D83-R86 VanDerWaalsContact OD1-N 3.1Å; D83-N87 VanDerWaalsContact OD1-CA 3.28Å; D83-N87 WeakPolarHBondContact OD1-CA 3.45Å; D83-N87 PolarHBondContact OD1-N 3.49Å; D83-L88 PolarHBondContact OD2-N 2.85Å; D83-Y89 PolarHBondContact N-O 3Å; D83-Y89 WeakPolarHBondContact OD2-CD2 3.47Å; D83-Y89 PolarHBondContact OD2-N 3.07Å; D83-Y89 VanDerWaalsContact OD2-N 3.1Å
84G91.9Very high94.5Very high42 Ų4244.9 Ų44.943%0.43322%0.221SC..SBendtrans73.23.3-177.500000115L82 N87L82-G84 PolarHBondContact O-N 2.82Å; G84-N87 WeakPolarHBondContact CA-OD1 3.44Å; G84-N87 PolarHBondContact N-OD1 3.28Å
85V88.2Confident94.5Very high64 Ų6445.9 Ų45.939%0.38823%0.226SC..SBendtrans-101.4-55.9-179.9-173.80000110.7Y12 I13 D83Y12-V85 HydrophobicContact CD1-CG2 3.91Å; Y12-V85 HydrophobicContact CD2-CG1 4.28Å; Y12-V85 HydrophobicContact CE1-CB 4.2Å; Y12-V85 HydrophobicContact CE1-CG2 3.58Å; Y12-V85 HydrophobicContact CE2-CB 4.09Å; Y12-V85 HydrophobicContact CE2-CG1 3.98Å; Y12-V85 HydrophobicContact CE2-CG2 4.23Å; Y12-V85 HydrophobicContact CG-CG2 4.39Å; I13-V85 VanDerWaalsContact O-CG2 3.25Å; I13-V85 WeakPolarHBondContact O-CG2 3.45Å; D83-V85 PolarHBondContact O-N 3.38Å; D83-V85 PolarHBondContact OD1-N 3.08Å
86R87.7Confident94.5Very high182 Ų18246.2 Ų46.269%0.68723%0.228SC*.SBendtrans-130.4-0.9174.2-63.6-174.8-177.4-167.7-0.8112.1D83 L88D83-R86 PolarHBondContact OD1-N 2.91Å; D83-R86 VanDerWaalsContact OD1-N 3.1Å; R86-L88 HydrophobicContact CB-CD1 3.96Å; R86-L88 HydrophobicContact CB-CG 3.81Å; R86-L88 PolarHBondContact O-N 3.31Å
87N91.4Very high94.6Very high85 Ų8540.4 Ų40.446%0.45521%0.206SC..SBendtrans54.231.4-174.6-62.6-35.6000112.9L82 D83 G84L82-N87 HydrophobicContact CB-CB 4.38Å; L82-N87 WeakPolarHBondContact CB-OD1 3.31Å; L82-N87 HydrophobicContact CD1-CB 4.1Å; L82-N87 HydrophobicContact CD2-CB 4.49Å; D83-N87 VanDerWaalsContact OD1-CA 3.28Å; D83-N87 WeakPolarHBondContact OD1-CA 3.45Å; D83-N87 PolarHBondContact OD1-N 3.49Å; G84-N87 WeakPolarHBondContact CA-OD1 3.44Å; G84-N87 PolarHBondContact N-OD1 3.28Å
88L91.7Very high94.7Very high95 Ų9539.9 Ų39.950%0.49720%0.204SC..  trans-89.9-18.6177.8-64.5179.3000111.8V51 D83 R86V51-L88 WeakPolarHBondContact CG2-O 3.18Å; V51-L88 PolarHBondContact N-O 3.36Å; D83-L88 PolarHBondContact OD2-N 2.85Å; R86-L88 HydrophobicContact CB-CD1 3.96Å; R86-L88 HydrophobicContact CB-CG 3.81Å; R86-L88 PolarHBondContact O-N 3.31Å
89Y93.6Very high94.7Very high21 Ų2137.6 Ų37.68%0.08220%0.195CC..EExtended strand (participates in β ladder)trans-122.7141.2-179.2-59.2-92.8000111.6L7 M48 E49 R50 L82 D83L7-Y89 HydrophobicContact CD1-CE1 4.15Å; L7-Y89 HydrophobicContact CD1-CE2 4.46Å; L7-Y89 HydrophobicContact CD2-CD2 4.21Å; L7-Y89 HydrophobicContact CD2-CE2 3.8Å; M48-Y89 HydrophobicContact CB-CD1 4.32Å; E49-Y89 CarbonylContact O-C 3.05Å; E49-Y89 WeakPolarHBondContact O-CA 3.22Å; R50-Y89 HydrophobicContact CB-CD1 4.46Å; R50-Y89 HydrophobicContact CB-CE1 4.41Å; R50-Y89 HydrophobicContact CG-CD1 3.78Å; R50-Y89 HydrophobicContact CG-CE1 3.3Å; L82-Y89 CarbonylContact C-O 3.58Å; L82-Y89 WeakPolarHBondContact CA-O 3.34Å; D83-Y89 PolarHBondContact N-O 3Å; D83-Y89 WeakPolarHBondContact OD2-CD2 3.47Å; D83-Y89 PolarHBondContact OD2-N 3.07Å; D83-Y89 VanDerWaalsContact OD2-N 3.1Å
90H94.9Very high94.8Very high38 Ų3835.2 Ų35.218%0.17619%0.185CC..EExtended strand (participates in β ladder)trans-75.4134.2152.3-72-58.1000108.5M48 E49 L58 Y80 G81M48-H90 WeakPolarHBondContact CA-O 3.42Å; E49-H90 PolarHBondContact N-O 2.94Å; E49-H90 PolarHBondContact O-N 3.11Å; L58-H90 HydrophobicContact CD2-CB 4.03Å; L58-H90 WeakPolarHBondContact CD2-O 3.49Å; Y80-H90 HydrophobicContact CE2-CB 4.4Å; Y80-H90 PolarHBondContact OH-ND1 3.15Å; G81-H90 CarbonylContact O-C 3.47Å; G81-H90 WeakPolarHBondContact O-CA 3.49Å
91A95.9Very high94.9Very high0 Ų033.7 Ų33.70%018%0.179CC..EExtended strand (participates in β ladder)trans-120.7134.9177.600000110.1V14 K47 F79 Y80 G81V14-A91 HydrophobicContact CG1-CB 3.59Å; K47-A91 WeakPolarHBondContact O-CA 3.29Å; F79-A91 HydrophobicContact CE1-CB 4.49Å; Y80-A91 WeakPolarHBondContact CA-O 3.36Å; G81-A91 PolarHBondContact N-O 2.89Å; G81-A91 PolarHBondContact O-N 3.25Å
92M96.4Very high95Very high2 Ų234.2 Ų34.21%0.0118%0.178CC..EExtended strand (participates in β ladder)trans-121.2117170.7-174175.774.200108.4I46 K47 L58 E61 Y65 I77 F79 Y80 I94I46-M92 WeakPolarHBondContact CA-O 3.47Å; K47-M92 HydrophobicContact CB-CB 4.48Å; K47-M92 HydrophobicContact CB-CE 4.34Å; K47-M92 HydrophobicContact CD-CE 4.11Å; K47-M92 PolarHBondContact N-O 3.2Å; K47-M92 PolarHBondContact O-N 3.3Å; L58-M92 HydrophobicContact CD1-CB 3.81Å; L58-M92 HydrophobicContact CD1-CE 3.81Å; L58-M92 HydrophobicContact CD1-SD 3.96Å; L58-M92 HydrophobicContact CD2-CB 4.03Å; L58-M92 HydrophobicContact CG-CB 3.99Å; E61-M92 HydrophobicContact CG-CE 4.42Å; Y65-M92 HydrophobicContact CD2-CE 4.19Å; Y65-M92 HydrophobicContact CD2-SD 4.04Å; Y65-M92 HydrophobicContact CE2-CE 3.8Å; Y65-M92 HydrophobicContact CE2-SD 4.28Å; I77-M92 HydrophobicContact CD1-CG 3.84Å; I77-M92 HydrophobicContact CD1-SD 3.45Å; I77-M92 WeakPolarHBondContact CD1-SD 3.25Å; I77-M92 HydrophobicContact CG1-CG 4.24Å; I77-M92 HydrophobicContact CG1-SD 4.22Å; F79-M92 CarbonylContact O-C 3.58Å; F79-M92 WeakPolarHBondContact O-CA 3.34Å; Y80-M92 HydrophobicContact CD2-CB 4.23Å; M92-I94 HydrophobicContact CE-CD1 4.36Å
93V97.2Very high95.1Very high0 Ų032.7 Ų32.70%017%0.17CC..EExtended strand (participates in β ladder)trans-97.7124.5176-174.80000108.5V14 W18 V44 I46 Q78 F79V14-V93 HydrophobicContact CG1-CG2 4.42Å; W18-V93 HydrophobicContact CD2-CB 4.43Å; W18-V93 HydrophobicContact CD2-CG1 4.07Å; W18-V93 HydrophobicContact CD2-CG2 3.89Å; W18-V93 HydrophobicContact CE3-CG2 3.86Å; W18-V93 HydrophobicContact CG-CG1 4.11Å; W18-V93 HydrophobicContact CG-CG2 4.24Å; W18-V93 HydrophobicContact CZ2-CG1 4.45Å; W18-V93 HydrophobicContact CZ3-CG2 4.35Å; V44-V93 HydrophobicContact CB-CG1 3.77Å; V44-V93 HydrophobicContact CG1-CG1 4.05Å; V44-V93 HydrophobicContact CG2-CG1 3.68Å; I46-V93 HydrophobicContact CD1-CG2 4.31Å; I46-V93 HydrophobicContact CG1-CG1 4.39Å; I46-V93 HydrophobicContact CG1-CG2 4.2Å; I46-V93 HydrophobicContact CG2-CG2 4.37Å; Q78-V93 HydrophobicContact CB-CB 4.41Å; Q78-V93 HydrophobicContact CB-CG1 4.21Å; Q78-V93 PolarHBondContact N-O 3.45Å; F79-V93 HydrophobicContact CB-CB 3.98Å; F79-V93 HydrophobicContact CB-CG2 4.03Å; F79-V93 HydrophobicContact CD1-CG2 4.06Å; F79-V93 PolarHBondContact N-O 3.5Å; F79-V93 PolarHBondContact O-N 2.97Å
94I96.9Very high95.3Very high15 Ų1532.9 Ų32.98%0.07717%0.171CC..EExtended strand (participates in β ladder)trans-139.4155.9-172.1-159.3169000110.4A45 Y65 P75 R76 I77 M92 L96A45-I94 HydrophobicContact CB-CG2 3.89Å; A45-I94 PolarHBondContact N-O 3.36Å; A45-I94 PolarHBondContact O-N 2.92Å; Y65-I94 HydrophobicContact CD1-CD1 4.02Å; Y65-I94 HydrophobicContact CD2-CD1 4.27Å; Y65-I94 HydrophobicContact CE1-CD1 3.6Å; Y65-I94 HydrophobicContact CE2-CD1 3.85Å; Y65-I94 HydrophobicContact CG-CD1 4.35Å; Y65-I94 VanDerWaalsContact CZ-CD1 3.49Å; P75-I94 HydrophobicContact CB-CD1 4.06Å; P75-I94 HydrophobicContact CB-CG1 4Å; P75-I94 HydrophobicContact CG-CD1 3.7Å; P75-I94 HydrophobicContact CG-CG1 4.21Å; R76-I94 WeakPolarHBondContact O-CA 3.46Å; R76-I94 WeakPolarHBondContact O-CG1 3.07Å; I77-I94 HydrophobicContact CG1-CB 4.5Å; I77-I94 HydrophobicContact CG1-CD1 3.9Å; I77-I94 HydrophobicContact CG1-CG1 4Å; M92-I94 HydrophobicContact CE-CD1 4.36Å; I94-L96 PolarHBondContact O-N 2.96Å
95E96.5Very high95.6Very high27 Ų2730.9 Ų30.913%0.12615%0.15CC..EExtended strand (participates in β ladder)trans-48.3128.5175-177.8162.3-143.100111.8P75 R76 L97P75-E95 HydrophobicContact CB-CB 4.01Å; R76-E95 IonicContact CZ-OE1 2.58Å; R76-E95 PolarHBondContact N-OE2 3.47Å; R76-E95 IonicContact NE-OE1 3.71Å; R76-E95 IonicContact NE-OE2 2.84Å; R76-E95 PolarHBondContact NE-OE2 3.2Å; R76-E95 IonicContact NH2-OE1 3.17Å; R76-E95 PolarHBondContact NH2-OE1 3.38Å; R76-E95 PolarHBondContact O-N 3.39Å; E95-L97 HydrophobicContact CG-CD2 4.41Å
96L97.6Very high96Very high11 Ų1131.5 Ų31.56%0.05815%0.154CC..  trans-72.1133.3174.6-176.966.2000109.5I24 L34 E43 A45 I94 I150I24-L96 HydrophobicContact CD1-CD1 4.08Å; L34-L96 HydrophobicContact CD1-CD1 4.29Å; L34-L96 HydrophobicContact CD1-CD2 3.62Å; E43-L96 HydrophobicContact CB-CD2 3.75Å; A45-L96 HydrophobicContact CB-CD1 4.13Å; I94-L96 PolarHBondContact O-N 2.96Å; L96-I150 WeakPolarHBondContact O-CD1 3.48Å
97L97.5Very high96.5Very high13 Ų1327.9 Ų27.97%0.06814%0.143CC..  trans-116172178.6-61.6177.9000110.7P75 E95 L147 F158 I160P75-L97 HydrophobicContact CB-CD1 4.1Å; P75-L97 HydrophobicContact CB-CD2 4.5Å; P75-L97 HydrophobicContact CB-CG 4.43Å; P75-L97 HydrophobicContact CG-CD1 4.2Å; E95-L97 HydrophobicContact CG-CD2 4.41Å; L97-L147 HydrophobicContact CB-CB 4.11Å; L97-L147 HydrophobicContact CB-CD2 3.84Å; L97-L147 HydrophobicContact CD1-CB 4.05Å; L97-L147 HydrophobicContact CD1-CD2 4.22Å; L97-F158 HydrophobicContact CD1-CB 3.58Å; L97-F158 HydrophobicContact CD1-CD1 4.24Å; L97-F158 HydrophobicContact CD1-CG 3.89Å; L97-F158 HydrophobicContact CD2-CB 4.38Å; L97-F158 HydrophobicContact CD2-CD1 3.93Å; L97-F158 HydrophobicContact CD2-CD2 3.86Å; L97-F158 HydrophobicContact CD2-CE1 4.16Å; L97-F158 HydrophobicContact CD2-CE2 4.1Å; L97-F158 HydrophobicContact CD2-CG 3.78Å; L97-F158 HydrophobicContact CD2-CZ 4.26Å; L97-I160 HydrophobicContact CD1-CG2 3.78Å
98G97Very high96.7Very high3 Ų324.8 Ų24.83%0.03113%0.129CC..  trans-82.5-161.9176.500000112.4L147 M148G98-L147 WeakPolarHBondContact O-CD2 3.45Å; G98-M148 VanDerWaalsContact CA-O 3.27Å; G98-M148 WeakPolarHBondContact CA-O 3.26Å; G98-M148 PolarHBondContact N-O 3.03Å
99P96.3Very high97Very high18 Ų1823.2 Ų23.212%0.11714%0.135CC..  trans-64.1153.6-178.128.3-35.9000112.3D103 L104 L147 M148 A371P99-D103 HydrophobicContact CB-CB 3.96Å; P99-L104 HydrophobicContact CB-CD2 4.26Å; P99-L104 HydrophobicContact CB-CG 4.12Å; P99-L104 HydrophobicContact CG-CD1 4.11Å; P99-L104 HydrophobicContact CG-CD2 3.67Å; P99-L104 HydrophobicContact CG-CG 3.83Å; P99-L147 WeakPolarHBondContact O-CA 3.42Å; P99-M148 PolarHBondContact O-N 2.84Å; P99-A371 HydrophobicContact CB-CB 4.09Å
100S97.7Very high97.2Very high1 Ų126.7 Ų26.71%0.00715%0.148CC..BIsolated β-bridgetrans-70.8163.3169.9720000111.5E102 D103 L104 F146S100-E102 PolarHBondContact O-N 3.42Å; S100-E102 PolarHBondContact OG-N 2.94Å; S100-D103 WeakPolarHBondContact CB-OD2 3.39Å; S100-D103 PolarHBondContact N-OD2 2.98Å; S100-D103 PolarHBondContact O-N 2.87Å; S100-D103 PolarHBondContact OG-N 3.34Å; S100-D103 VanDerWaalsContact OG-N 3.16Å; S100-D103 PolarHBondContact OG-OD2 3.04Å; S100-L104 WeakPolarHBondContact O-CG 3.42Å; S100-L104 PolarHBondContact O-N 3.35Å; S100-F146 CarbonylContact C-O 3.55Å; S100-F146 VanDerWaalsContact CA-O 3.32Å; S100-F146 WeakPolarHBondContact CA-O 3.4Å
101L98.6Very high97.2Very high0 Ų032 Ų320%017%0.167CC..Hα-helixtrans-65.8-26173-64.6-174.1000111.8L104 F105 L120 M124 P143 F146 M148 F218 W302L101-L104 HydrophobicContact CD2-CD1 4.2Å; L101-F105 WeakPolarHBondContact O-CB 3.4Å; L101-F105 PolarHBondContact O-N 3.29Å; L101-L120 HydrophobicContact CD1-CD1 4.22Å; L101-L120 HydrophobicContact CD1-CD2 4.05Å; L101-L120 HydrophobicContact CD2-CD1 4.19Å; L101-L120 HydrophobicContact CD2-CD2 3.76Å; L101-M124 HydrophobicContact CD1-CE 4.25Å; L101-M124 HydrophobicContact CD1-SD 3.98Å; L101-P143 HydrophobicContact CB-CB 4.27Å; L101-P143 PolarHBondContact N-O 3.35Å; L101-F146 HydrophobicContact CD1-CB 3.57Å; L101-F146 HydrophobicContact CD1-CG 4.34Å; L101-F146 HydrophobicContact CG-CB 3.78Å; L101-F146 WeakPolarHBondContact CG-O 3.36Å; L101-F146 PolarHBondContact N-O 3.31Å; L101-M148 HydrophobicContact CD2-CG 4.41Å; L101-M148 HydrophobicContact CD2-SD 4.06Å; L101-F218 HydrophobicContact CB-CE1 4.34Å; L101-F218 HydrophobicContact CB-CZ 3.8Å; L101-F218 HydrophobicContact CD1-CE2 4.15Å; L101-F218 HydrophobicContact CD1-CZ 3.97Å; L101-W302 HydrophobicContact CD2-CH2 4.34Å
102E98.2Very high97.4Very high27 Ų2732.3 Ų32.313%0.12617%0.168CC..Hα-helixtrans-69.2-40.7172.5-170.760.1-157.400111.6S100 L104 F105 T106 R110 P143 Y217S100-E102 PolarHBondContact O-N 3.42Å; S100-E102 PolarHBondContact OG-N 2.94Å; E102-L104 VanDerWaalsContact C-N 3.35Å; E102-F105 WeakPolarHBondContact O-CB 3.39Å; E102-F105 PolarHBondContact O-N 3.22Å; E102-T106 WeakPolarHBondContact O-CB 3.16Å; E102-T106 PolarHBondContact O-N 3.08Å; E102-T106 PolarHBondContact O-OG1 2.94Å; E102-T106 VanDerWaalsContact O-OG1 3.05Å; E102-R110 IonicContact OE1-NH1 3.05Å; E102-R110 PolarHBondContact OE1-NH1 2.98Å; E102-P143 HydrophobicContact CB-CB 3.96Å; E102-Y217 PolarHBondContact OE1-OH 2.82Å; E102-Y217 VanDerWaalsContact OE2-CE1 3.28Å; E102-Y217 WeakPolarHBondContact OE2-CE1 3.35Å; E102-Y217 PolarHBondContact OE2-OH 2.9Å; E102-Y217 VanDerWaalsContact OE2-OH 3.08Å
103D97Very high97.5Very high43 Ų4335.6 Ų35.623%0.2319%0.188CC..Hα-helixtrans-61.6-46.7176.1-60.7-47.8000110.3P99 S100 F105 T106 F107 A371P99-D103 HydrophobicContact CB-CB 3.96Å; S100-D103 WeakPolarHBondContact CB-OD2 3.39Å; S100-D103 PolarHBondContact N-OD2 2.98Å; S100-D103 PolarHBondContact O-N 2.87Å; S100-D103 PolarHBondContact OG-N 3.34Å; S100-D103 VanDerWaalsContact OG-N 3.16Å; S100-D103 PolarHBondContact OG-OD2 3.04Å; D103-F105 VanDerWaalsContact C-N 3.33Å; D103-F105 PolarHBondContact O-N 3.07Å; D103-T106 PolarHBondContact O-N 3.46Å; D103-F107 WeakPolarHBondContact O-CB 3.28Å; D103-F107 PolarHBondContact O-N 3.47Å; D103-A371 HydrophobicContact CB-CB 4.26Å
104L98.2Very high97.5Very high4 Ų437.2 Ų37.22%0.02120%0.196CC..Hα-helixtrans-66.3-35.9177.2-68.1172.5000112P99 S100 L101 E102 F107 C108 F112 M148 W302P99-L104 HydrophobicContact CB-CD2 4.26Å; P99-L104 HydrophobicContact CB-CG 4.12Å; P99-L104 HydrophobicContact CG-CD1 4.11Å; P99-L104 HydrophobicContact CG-CD2 3.67Å; P99-L104 HydrophobicContact CG-CG 3.83Å; S100-L104 WeakPolarHBondContact O-CG 3.42Å; S100-L104 PolarHBondContact O-N 3.35Å; L101-L104 HydrophobicContact CD2-CD1 4.2Å; E102-L104 VanDerWaalsContact C-N 3.35Å; L104-F107 PolarHBondContact O-N 2.89Å; L104-C108 WeakPolarHBondContact O-CB 3.17Å; L104-C108 PolarHBondContact O-N 3.43Å; L104-C108 PolarHBondContact O-SG 3.44Å; L104-F112 HydrophobicContact CB-CZ 4.15Å; L104-M148 HydrophobicContact CD1-CG 3.47Å; L104-M148 VanDerWaalsContact CD1-CG 3.47Å; L104-W302 HydrophobicContact CB-CD2 4.24Å; L104-W302 HydrophobicContact CB-CE3 3.87Å; L104-W302 HydrophobicContact CB-CZ3 4.29Å; L104-W302 HydrophobicContact CD1-CD2 3.84Å; L104-W302 HydrophobicContact CD1-CE3 4.04Å; L104-W302 HydrophobicContact CD1-CG 4.41Å; L104-W302 HydrophobicContact CD1-CH2 4.15Å; L104-W302 HydrophobicContact CD1-CZ2 3.92Å; L104-W302 HydrophobicContact CD1-CZ3 4.2Å; L104-W302 HydrophobicContact CD2-CB 3.89Å; L104-W302 HydrophobicContact CD2-CD2 3.95Å; L104-W302 HydrophobicContact CD2-CE3 4.43Å; L104-W302 HydrophobicContact CD2-CG 3.7Å; L104-W302 HydrophobicContact CG-CD2 4.23Å; L104-W302 HydrophobicContact CG-CE3 4.34Å; L104-W302 HydrophobicContact CG-CG 4.49Å
105F98.4Very high97.6Very high0 Ų038.3 Ų38.30%020%0.2CC..Hα-helixtrans-64.1-44.6176.3-173.7-123.2000111.4L101 E102 D103 C108 R110 F112 Y217 F218L101-F105 WeakPolarHBondContact O-CB 3.4Å; L101-F105 PolarHBondContact O-N 3.29Å; E102-F105 WeakPolarHBondContact O-CB 3.39Å; E102-F105 PolarHBondContact O-N 3.22Å; D103-F105 VanDerWaalsContact C-N 3.33Å; D103-F105 PolarHBondContact O-N 3.07Å; F105-C108 PolarHBondContact O-N 3.48Å; F105-R110 HydrophobicContact CD1-CB 4.32Å; F105-R110 HydrophobicContact CD1-CG 4.5Å; F105-R110 HydrophobicContact CE1-CB 3.97Å; F105-R110 WeakPolarHBondContact CE2-O 3.47Å; F105-R110 HydrophobicContact CZ-CB 4.3Å; F105-R110 WeakPolarHBondContact CZ-O 3.31Å; F105-R110 VanDerWaalsContact O-CA 3.23Å; F105-R110 WeakPolarHBondContact O-CA 3.47Å; F105-R110 PolarHBondContact O-N 3.2Å; F105-F112 HydrophobicContact CB-CE1 4.26Å; F105-F112 HydrophobicContact CB-CE2 4.12Å; F105-F112 HydrophobicContact CB-CZ 3.73Å; F105-F112 HydrophobicContact CD2-CD1 4.05Å; F105-F112 AromaticContact CD2-CD2 3.92Å; F105-F112 HydrophobicContact CD2-CD2 3.92Å; F105-F112 HydrophobicContact CD2-CE1 4.02Å; F105-F112 AromaticContact CD2-CE2 3.88Å; F105-F112 HydrophobicContact CD2-CE2 3.88Å; F105-F112 AromaticContact CD2-CG 3.99Å; F105-F112 HydrophobicContact CD2-CG 3.99Å; F105-F112 AromaticContact CD2-CZ 3.94Å; F105-F112 HydrophobicContact CD2-CZ 3.94Å; F105-F112 HydrophobicContact CE2-CD2 4.48Å; F105-F112 HydrophobicContact CE2-CG 4.42Å; F105-F112 HydrophobicContact CG-CE2 4.47Å; F105-F112 HydrophobicContact CG-CZ 4.37Å; F105-Y217 AromaticContact CD1-CE1 3.72Å; F105-Y217 HydrophobicContact CD1-CE1 3.72Å; F105-Y217 AromaticContact CD1-CZ 3.89Å; F105-Y217 HydrophobicContact CE1-CD1 4.21Å; F105-Y217 AromaticContact CE1-CE1 3.53Å; F105-Y217 HydrophobicContact CE1-CE1 3.53Å; F105-Y217 HydrophobicContact CE1-CE2 4.12Å; F105-Y217 AromaticContact CE1-CZ 3.49Å; F105-Y217 VanDerWaalsContact CE1-CZ 3.49Å; F105-Y217 HydrophobicContact CZ-CE1 4.27Å; F105-F218 HydrophobicContact CB-CD1 4.47Å; F105-F218 HydrophobicContact CB-CE1 4.36Å; F105-F218 AromaticContact CD2-CD1 3.77Å; F105-F218 HydrophobicContact CD2-CD1 3.77Å; F105-F218 HydrophobicContact CD2-CE1 4.46Å; F105-F218 HydrophobicContact CE2-CB 4.32Å; F105-F218 AromaticContact CE2-CD1 3.98Å; F105-F218 HydrophobicContact CE2-CD1 3.98Å; F105-F218 WeakPolarHBondContact CE2-O 3.18Å; F105-F218 HydrophobicContact CG-CD1 4.06Å; F105-F218 HydrophobicContact CG-CE1 4.37Å; F105-F218 HydrophobicContact CZ-CD1 4.42Å
106T97.9Very high97.7Very high76 Ų7637 Ų3747%0.46619%0.194SC..Hα-helixtrans-63-45.1174.3-60.60000111.2E102 D103 C108 G109E102-T106 WeakPolarHBondContact O-CB 3.16Å; E102-T106 PolarHBondContact O-N 3.08Å; E102-T106 PolarHBondContact O-OG1 2.94Å; E102-T106 VanDerWaalsContact O-OG1 3.05Å; D103-T106 PolarHBondContact O-N 3.46Å; T106-C108 VanDerWaalsContact C-N 3.26Å; T106-C108 PolarHBondContact O-N 3.46Å; T106-G109 PolarHBondContact O-N 3.24Å
107F96.8Very high97.8Very high106 Ų10636.5 Ų36.547%0.46519%0.191SC..Hα-helixtrans-58.3-36.2176.2178.9-107.8000113D103 L104 G109 W302 L305 R306D103-F107 WeakPolarHBondContact O-CB 3.28Å; D103-F107 PolarHBondContact O-N 3.47Å; L104-F107 PolarHBondContact O-N 2.89Å; F107-G109 PolarHBondContact O-N 3.09Å; F107-W302 HydrophobicContact CD1-CB 3.92Å; F107-W302 HydrophobicContact CE1-CB 4.1Å; F107-L305 HydrophobicContact CD1-CD1 4.23Å; F107-L305 HydrophobicContact CE1-CB 3.65Å; F107-L305 HydrophobicContact CE1-CD1 4.08Å; F107-L305 HydrophobicContact CZ-CB 4.02Å; F107-R306 HydrophobicContact CE1-CG 4.24Å; F107-R306 HydrophobicContact CZ-CG 4.22Å
108C97.2Very high97.8Very high21 Ų2136 Ų3614%0.14219%0.189CC..THydrogen-bonded Turntrans-82.913.3177.4-66.40000114.4L104 F105 T106 F112 D301 L305L104-C108 WeakPolarHBondContact O-CB 3.17Å; L104-C108 PolarHBondContact O-N 3.43Å; L104-C108 PolarHBondContact O-SG 3.44Å; F105-C108 PolarHBondContact O-N 3.48Å; T106-C108 VanDerWaalsContact C-N 3.26Å; T106-C108 PolarHBondContact O-N 3.46Å; C108-F112 HydrophobicContact CB-CD1 3.93Å; C108-F112 HydrophobicContact CB-CE1 3.76Å; C108-D301 HydrophobicContact CB-CB 4.47Å; C108-L305 HydrophobicContact CB-CD1 4.21Å
109G96.6Very high97.9Very high62 Ų6235.9 Ų35.964%0.63919%0.188SC*.THydrogen-bonded Turntrans75.229.5-179.600000113.7T106 F107 R111T106-G109 PolarHBondContact O-N 3.24Å; F107-G109 PolarHBondContact O-N 3.09Å; G109-R111 VanDerWaalsContact C-N 3.29Å; G109-R111 PolarHBondContact O-N 2.64Å
110R97.5Very high98Very high94 Ų9435 Ų3536%0.35518%0.182SC..SBendtrans58.435175.6-57.3-17558.569.910.8114.4E102 F105 Y217 G221E102-R110 IonicContact OE1-NH1 3.05Å; E102-R110 PolarHBondContact OE1-NH1 2.98Å; F105-R110 HydrophobicContact CD1-CB 4.32Å; F105-R110 HydrophobicContact CD1-CG 4.5Å; F105-R110 HydrophobicContact CE1-CB 3.97Å; F105-R110 WeakPolarHBondContact CE2-O 3.47Å; F105-R110 HydrophobicContact CZ-CB 4.3Å; F105-R110 WeakPolarHBondContact CZ-O 3.31Å; F105-R110 VanDerWaalsContact O-CA 3.23Å; F105-R110 WeakPolarHBondContact O-CA 3.47Å; F105-R110 PolarHBondContact O-N 3.2Å; R110-Y217 PolarHBondContact NH1-OH 3.01Å; R110-Y217 PolarHBondContact NH2-OH 2.64Å; R110-G221 PolarHBondContact NH2-O 3.21Å; R110-G221 WeakPolarHBondContact O-CA 3.48Å
111R96.6Very high98.1Very high150 Ų15035 Ų3557%0.56618%0.182SC*.  trans-153.5128.6168.6-171175.5170.2119.4-3.7109.3G109G109-R111 VanDerWaalsContact C-N 3.29Å; G109-R111 PolarHBondContact O-N 2.64Å
112F98.6Very high98.1Very high6 Ų635.6 Ų35.63%0.02619%0.185CC..  trans-97.8151.4170.8-70.2-30.4000111.4L104 F105 C108 T116 V117 L120 F218 D301 W302L104-F112 HydrophobicContact CB-CZ 4.15Å; F105-F112 HydrophobicContact CB-CE1 4.26Å; F105-F112 HydrophobicContact CB-CE2 4.12Å; F105-F112 HydrophobicContact CB-CZ 3.73Å; F105-F112 HydrophobicContact CD2-CD1 4.05Å; F105-F112 AromaticContact CD2-CD2 3.92Å; F105-F112 HydrophobicContact CD2-CD2 3.92Å; F105-F112 HydrophobicContact CD2-CE1 4.02Å; F105-F112 AromaticContact CD2-CE2 3.88Å; F105-F112 HydrophobicContact CD2-CE2 3.88Å; F105-F112 AromaticContact CD2-CG 3.99Å; F105-F112 HydrophobicContact CD2-CG 3.99Å; F105-F112 AromaticContact CD2-CZ 3.94Å; F105-F112 HydrophobicContact CD2-CZ 3.94Å; F105-F112 HydrophobicContact CE2-CD2 4.48Å; F105-F112 HydrophobicContact CE2-CG 4.42Å; F105-F112 HydrophobicContact CG-CE2 4.47Å; F105-F112 HydrophobicContact CG-CZ 4.37Å; C108-F112 HydrophobicContact CB-CD1 3.93Å; C108-F112 HydrophobicContact CB-CE1 3.76Å; F112-T116 HydrophobicContact CB-CG2 3.85Å; F112-T116 HydrophobicContact CD1-CG2 4.05Å; F112-T116 HydrophobicContact CD2-CG2 3.94Å; F112-T116 HydrophobicContact CG-CG2 3.7Å; F112-V117 HydrophobicContact CB-CG2 3.67Å; F112-L120 HydrophobicContact CD2-CD1 4.1Å; F112-L120 HydrophobicContact CE2-CD1 3.97Å; F112-F218 HydrophobicContact CB-CB 4.45Å; F112-F218 HydrophobicContact CD2-CB 3.83Å; F112-F218 AromaticContact CD2-CD1 3.77Å; F112-F218 HydrophobicContact CD2-CD1 3.77Å; F112-F218 HydrophobicContact CD2-CD2 4.29Å; F112-F218 HydrophobicContact CD2-CE1 4.38Å; F112-F218 AromaticContact CD2-CG 3.73Å; F112-F218 HydrophobicContact CD2-CG 3.73Å; F112-F218 AromaticContact CE2-CD1 3.72Å; F112-F218 HydrophobicContact CE2-CD1 3.72Å; F112-F218 AromaticContact CE2-CE1 3.9Å; F112-F218 HydrophobicContact CE2-CE1 3.9Å; F112-F218 HydrophobicContact CE2-CG 4.08Å; F112-F218 HydrophobicContact CE2-CZ 4.37Å; F112-F218 PolarHBondContact N-O 3.39Å; F112-F218 VanDerWaalsContact N-O 3.11Å; F112-D301 WeakPolarHBondContact CA-OD2 3.3Å; F112-D301 WeakPolarHBondContact CB-OD2 3.34Å; F112-D301 HydrophobicContact CD1-CB 4.47Å; F112-D301 WeakPolarHBondContact CD1-OD2 3.28Å; F112-W302 AromaticContact CE1-CE3 3.89Å; F112-W302 HydrophobicContact CE1-CE3 3.89Å; F112-W302 AromaticContact CE1-CZ3 3.87Å; F112-W302 HydrophobicContact CE1-CZ3 3.87Å; F112-W302 HydrophobicContact CE2-CZ3 4.19Å; F112-W302 HydrophobicContact CZ-CE3 4.04Å; F112-W302 AromaticContact CZ-CZ3 3.67Å; F112-W302 HydrophobicContact CZ-CZ3 3.67Å
113T98.3Very high98.1Very high70 Ų7035.1 Ų35.143%0.42918%0.183SC..  trans-70.6158170.6680000110.8K115 T116 V117 D301T113-K115 VanDerWaalsContact C-N 3.25Å; T113-K115 PolarHBondContact O-N 3.35Å; T113-T116 PolarHBondContact O-N 3.39Å; T113-T116 PolarHBondContact OG1-N 3.16Å; T113-T116 PolarHBondContact OG1-OG1 3.26Å; T113-V117 WeakPolarHBondContact O-CG2 3.43Å; T113-V117 PolarHBondContact O-N 2.81Å; T113-D301 WeakPolarHBondContact CB-OD1 3.38Å; T113-D301 WeakPolarHBondContact CG2-OD1 3.32Å; T113-D301 PolarHBondContact N-OD2 3.25Å; T113-D301 PolarHBondContact OG1-OD1 3.45Å; T113-D301 PolarHBondContact OG1-OD2 3.38Å
114M98.5Very high98.2Very high34 Ų3433.1 Ų33.117%0.16717%0.172CC..Hα-helixtrans-56.3-41.3175.8-173.257.965.400111.7T116 V117 L118 L219 Y256 P257 F260 L288 L292 F294M114-T116 PolarHBondContact O-N 2.83Å; M114-V117 PolarHBondContact O-N 2.87Å; M114-L118 HydrophobicContact CG-CD1 3.8Å; M114-L118 HydrophobicContact CG-CG 4.22Å; M114-L118 WeakPolarHBondContact O-CB 3.5Å; M114-L118 VanDerWaalsContact O-CG 3.26Å; M114-L118 WeakPolarHBondContact O-CG 3.45Å; M114-L118 PolarHBondContact O-N 3.05Å; M114-L118 HydrophobicContact SD-CD1 4.05Å; M114-L118 HydrophobicContact SD-CD2 4.31Å; M114-L118 HydrophobicContact SD-CG 3.96Å; M114-L219 HydrophobicContact CE-CD1 4.11Å; M114-L219 HydrophobicContact CE-CD2 3.67Å; M114-L219 HydrophobicContact SD-CD2 4.12Å; M114-Y256 HydrophobicContact CE-CD1 4.23Å; M114-P257 HydrophobicContact CE-CG 3.76Å; M114-P257 HydrophobicContact SD-CG 4.37Å; M114-F260 HydrophobicContact CE-CE2 3.84Å; M114-F260 HydrophobicContact CE-CZ 4.36Å; M114-F260 HydrophobicContact SD-CE2 3.57Å; M114-F260 VanDerWaalsContact SD-CE2 3.57Å; M114-F260 HydrophobicContact SD-CZ 3.74Å; M114-L288 HydrophobicContact SD-CD2 4.49Å; M114-L292 HydrophobicContact CG-CD1 3.77Å; M114-F294 HydrophobicContact CB-CE2 4.15Å; M114-F294 HydrophobicContact CB-CZ 4.34Å; M114-F294 HydrophobicContact CG-CE2 4.08Å
115K98.7Very high98.2Very high38 Ų3832.9 Ų32.917%0.16517%0.171CC..Hα-helixtrans-56.9-50.8177.2-175.1-173173.4-172.60111.2T113 L118 M119 F289 F294 V295 D297T113-K115 VanDerWaalsContact C-N 3.25Å; T113-K115 PolarHBondContact O-N 3.35Å; K115-L118 PolarHBondContact O-N 3.07Å; K115-M119 HydrophobicContact CD-CE 4.5Å; K115-M119 HydrophobicContact CG-CE 4.07Å; K115-M119 WeakPolarHBondContact O-CG 3.46Å; K115-M119 PolarHBondContact O-N 3.5Å; K115-M119 VanDerWaalsContact O-N 3.08Å; K115-F289 HydrophobicContact CG-CE2 3.9Å; K115-F289 HydrophobicContact CG-CZ 4.34Å; K115-F294 HydrophobicContact CB-CD1 4.27Å; K115-F294 HydrophobicContact CB-CD2 3.86Å; K115-F294 HydrophobicContact CB-CE1 4.28Å; K115-F294 HydrophobicContact CB-CE2 3.86Å; K115-F294 HydrophobicContact CB-CG 4.08Å; K115-F294 HydrophobicContact CB-CZ 4.08Å; K115-F294 HydrophobicContact CD-CG 4.5Å; K115-F294 HydrophobicContact CG-CB 4.21Å; K115-F294 HydrophobicContact CG-CD1 4.39Å; K115-F294 HydrophobicContact CG-CD2 4.12Å; K115-F294 HydrophobicContact CG-CG 4Å; K115-V295 VanDerWaalsContact CE-O 3.26Å; K115-V295 WeakPolarHBondContact CE-O 2.94Å; K115-D297 VanDerWaalsContact CE-OD1 3.31Å; K115-D297 WeakPolarHBondContact CE-OD1 3.38Å; K115-D297 IonicContact NZ-OD1 2.78Å; K115-D297 PolarHBondContact NZ-OD1 2.67Å; K115-D297 IonicContact NZ-OD2 2.73Å; K115-D297 PolarHBondContact NZ-OD2 2.93Å
116T98.7Very high98.2Very high0 Ų036.7 Ų36.70%019%0.185CC..Hα-helixtrans-60.7-47.6178.3-74.30000111.6F112 T113 M114 L118 M119 L120 F300 D301 W302F112-T116 HydrophobicContact CB-CG2 3.85Å; F112-T116 HydrophobicContact CD1-CG2 4.05Å; F112-T116 HydrophobicContact CD2-CG2 3.94Å; F112-T116 HydrophobicContact CG-CG2 3.7Å; T113-T116 PolarHBondContact O-N 3.39Å; T113-T116 PolarHBondContact OG1-N 3.16Å; T113-T116 PolarHBondContact OG1-OG1 3.26Å; M114-T116 PolarHBondContact O-N 2.83Å; T116-L118 PolarHBondContact O-N 3.39Å; T116-M119 PolarHBondContact O-N 3.14Å; T116-L120 HydrophobicContact CG2-CD1 3.91Å; T116-L120 HydrophobicContact CG2-CG 4.49Å; T116-L120 WeakPolarHBondContact O-CB 3.25Å; T116-L120 WeakPolarHBondContact O-CG 3.36Å; T116-L120 PolarHBondContact O-N 3.26Å; T116-F300 HydrophobicContact CG2-CD1 4.13Å; T116-D301 WeakPolarHBondContact CB-OD2 3.43Å; T116-D301 PolarHBondContact OG1-N 3.02Å; T116-D301 PolarHBondContact OG1-OD1 2.85Å; T116-D301 PolarHBondContact OG1-OD2 3.46Å; T116-W302 HydrophobicContact CG2-CH2 4.19Å; T116-W302 HydrophobicContact CG2-CZ3 3.72Å
117V98.8Very high98.2Very high0 Ų033.8 Ų33.80%017%0.166CC..Hα-helixtrans-62.4-42.6-179.3174.40000111.9F112 T113 M114 L120 A121 L215 F218 L219 F260F112-V117 HydrophobicContact CB-CG2 3.67Å; T113-V117 WeakPolarHBondContact O-CG2 3.43Å; T113-V117 PolarHBondContact O-N 2.81Å; M114-V117 PolarHBondContact O-N 2.87Å; V117-L120 PolarHBondContact O-N 3.46Å; V117-A121 VanDerWaalsContact O-CB 3.31Å; V117-A121 WeakPolarHBondContact O-CB 3.38Å; V117-A121 PolarHBondContact O-N 3.4Å; V117-L215 HydrophobicContact CG1-CB 4.41Å; V117-L215 HydrophobicContact CG1-CD2 4.1Å; V117-F218 HydrophobicContact CG2-CB 3.79Å; V117-L219 HydrophobicContact CB-CD2 4.02Å; V117-L219 HydrophobicContact CB-CG 4.33Å; V117-L219 HydrophobicContact CG1-CD1 4.35Å; V117-L219 HydrophobicContact CG1-CD2 4.21Å; V117-L219 HydrophobicContact CG1-CG 4.02Å; V117-L219 HydrophobicContact CG2-CD2 3.74Å; V117-L219 HydrophobicContact CG2-CG 4.01Å; V117-F260 HydrophobicContact CG1-CE1 4.1Å; V117-F260 HydrophobicContact CG1-CZ 4.17Å
118L98.8Very high98.3Very high3 Ų328.7 Ų28.72%0.01614%0.144CC..Hα-helixtrans-67.9-38.8179.1-67.5174.4000112.5M114 K115 T116 A121 D122 F260 F285 L288 F289 L292 F294M114-L118 HydrophobicContact CG-CD1 3.8Å; M114-L118 HydrophobicContact CG-CG 4.22Å; M114-L118 WeakPolarHBondContact O-CB 3.5Å; M114-L118 VanDerWaalsContact O-CG 3.26Å; M114-L118 WeakPolarHBondContact O-CG 3.45Å; M114-L118 PolarHBondContact O-N 3.05Å; M114-L118 HydrophobicContact SD-CD1 4.05Å; M114-L118 HydrophobicContact SD-CD2 4.31Å; M114-L118 HydrophobicContact SD-CG 3.96Å; K115-L118 PolarHBondContact O-N 3.07Å; T116-L118 PolarHBondContact O-N 3.39Å; L118-A121 PolarHBondContact O-N 3.01Å; L118-D122 PolarHBondContact O-N 2.9Å; L118-F260 HydrophobicContact CD2-CE2 4.46Å; L118-F260 HydrophobicContact CD2-CZ 3.99Å; L118-F285 HydrophobicContact CD2-CB 3.88Å; L118-F285 HydrophobicContact CD2-CD1 3.54Å; L118-F285 HydrophobicContact CD2-CE1 4.38Å; L118-F285 HydrophobicContact CD2-CG 3.97Å; L118-L288 HydrophobicContact CD1-CD2 3.96Å; L118-L288 HydrophobicContact CD1-CG 3.96Å; L118-L288 HydrophobicContact CD2-CD2 3.87Å; L118-F289 HydrophobicContact CB-CD2 3.82Å; L118-F289 HydrophobicContact CD1-CB 4.15Å; L118-F289 HydrophobicContact CD1-CD2 4.15Å; L118-L292 HydrophobicContact CD1-CD1 4.37Å; L118-F294 HydrophobicContact CD1-CD2 4.47Å; L118-F294 HydrophobicContact CD1-CE2 4.4Å
119M98.6Very high98.4Very high0 Ų029.1 Ų29.10%014%0.144CC..Hα-helixtrans-64.6-40.8174.3-71.4-169.2-61.400112.1K115 T116 F289 W296 V299 F300K115-M119 HydrophobicContact CD-CE 4.5Å; K115-M119 HydrophobicContact CG-CE 4.07Å; K115-M119 WeakPolarHBondContact O-CG 3.46Å; K115-M119 PolarHBondContact O-N 3.5Å; K115-M119 VanDerWaalsContact O-N 3.08Å; T116-M119 PolarHBondContact O-N 3.14Å; M119-F289 HydrophobicContact CG-CE2 3.62Å; M119-F289 HydrophobicContact CG-CZ 4.06Å; M119-F289 HydrophobicContact SD-CE2 4.38Å; M119-F289 HydrophobicContact SD-CZ 4.36Å; M119-W296 HydrophobicContact CB-CH2 4.03Å; M119-W296 HydrophobicContact CB-CZ2 4.44Å; M119-W296 HydrophobicContact CB-CZ3 4.23Å; M119-W296 HydrophobicContact CG-CD2 4.32Å; M119-W296 HydrophobicContact CG-CE3 3.92Å; M119-W296 HydrophobicContact CG-CH2 4.01Å; M119-W296 HydrophobicContact CG-CZ2 4.4Å; M119-W296 HydrophobicContact CG-CZ3 3.76Å; M119-V299 WeakPolarHBondContact CE-O 3.49Å; M119-F300 HydrophobicContact CB-CD1 4.48Å; M119-F300 HydrophobicContact CB-CE1 3.72Å; M119-F300 HydrophobicContact CB-CZ 4.39Å; M119-F300 HydrophobicContact CE-CD1 3.66Å; M119-F300 HydrophobicContact CE-CE1 3.82Å; M119-F300 HydrophobicContact CE-CG 4.17Å; M119-F300 HydrophobicContact CE-CZ 4.44Å
120L98.8Very high98.4Very high0 Ų028.7 Ų28.70%013%0.125CC..Hα-helixtrans-65.3-45.1174.9-73.5174.6000111.7L101 F112 T116 V117 D122 Q123 M124 V157 F300 W302L101-L120 HydrophobicContact CD1-CD1 4.22Å; L101-L120 HydrophobicContact CD1-CD2 4.05Å; L101-L120 HydrophobicContact CD2-CD1 4.19Å; L101-L120 HydrophobicContact CD2-CD2 3.76Å; F112-L120 HydrophobicContact CD2-CD1 4.1Å; F112-L120 HydrophobicContact CE2-CD1 3.97Å; T116-L120 HydrophobicContact CG2-CD1 3.91Å; T116-L120 HydrophobicContact CG2-CG 4.49Å; T116-L120 WeakPolarHBondContact O-CB 3.25Å; T116-L120 WeakPolarHBondContact O-CG 3.36Å; T116-L120 PolarHBondContact O-N 3.26Å; V117-L120 PolarHBondContact O-N 3.46Å; L120-D122 VanDerWaalsContact C-N 3.31Å; L120-D122 PolarHBondContact O-N 3.01Å; L120-Q123 PolarHBondContact O-N 2.8Å; L120-Q123 VanDerWaalsContact O-N 3.13Å; L120-M124 HydrophobicContact CB-SD 4.24Å; L120-M124 WeakPolarHBondContact O-CB 3.42Å; L120-M124 VanDerWaalsContact O-CG 3.23Å; L120-M124 WeakPolarHBondContact O-CG 3.07Å; L120-M124 PolarHBondContact O-N 3Å; L120-V157 HydrophobicContact CD2-CG2 3.59Å; L120-F300 HydrophobicContact CD2-CE1 4.11Å; L120-F300 HydrophobicContact CG-CE1 4.16Å; L120-W302 HydrophobicContact CD1-CH2 4.07Å; L120-W302 HydrophobicContact CD1-CZ3 4.3Å; L120-W302 HydrophobicContact CD2-CH2 4.07Å; L120-W302 HydrophobicContact CG-CH2 4.32Å
121A98.8Very high98.4Very high0 Ų024.2 Ų24.20%011%0.108CC..Hα-helixtrans-55.3-44.4-179.300000112.1V117 L118 Q123 M124 L125 L215 F285V117-A121 VanDerWaalsContact O-CB 3.31Å; V117-A121 WeakPolarHBondContact O-CB 3.38Å; V117-A121 PolarHBondContact O-N 3.4Å; L118-A121 PolarHBondContact O-N 3.01Å; A121-Q123 PolarHBondContact O-N 3.36Å; A121-M124 PolarHBondContact O-N 2.9Å; A121-L125 VanDerWaalsContact O-CB 3.31Å; A121-L125 WeakPolarHBondContact O-CB 3.31Å; A121-L125 WeakPolarHBondContact O-CD1 3.39Å; A121-L125 VanDerWaalsContact O-CG 3.24Å; A121-L125 WeakPolarHBondContact O-CG 3.31Å; A121-L125 PolarHBondContact O-N 2.91Å; A121-L215 HydrophobicContact CB-CD1 3.85Å; A121-L215 HydrophobicContact CB-CD2 3.79Å; A121-L215 HydrophobicContact CB-CG 4.5Å; A121-F285 HydrophobicContact CB-CD2 3.91Å; A121-F285 HydrophobicContact CB-CE2 4.14Å; A121-F285 HydrophobicContact CB-CG 4.47Å
122D98.6Very high98.5Very high13 Ų1317.2 Ų17.27%0.078%0.082CC..Hα-helixtrans-59.1-48.4177-169.172.7000112L118 L120 W126 R286 W296L118-D122 PolarHBondContact O-N 2.9Å; L120-D122 VanDerWaalsContact C-N 3.31Å; L120-D122 PolarHBondContact O-N 3.01Å; D122-W126 VanDerWaalsContact O-CD1 3.29Å; D122-W126 PolarHBondContact O-N 3.13Å; D122-W126 VanDerWaalsContact O-N 3.12Å; D122-R286 VanDerWaalsContact CG-NH2 3.33Å; D122-R286 IonicContact OD1-CZ 2.87Å; D122-R286 IonicContact OD1-NE 2.98Å; D122-R286 PolarHBondContact OD1-NE 3.24Å; D122-R286 IonicContact OD1-NH2 3.62Å; D122-R286 PolarHBondContact OD1-NH2 3.5Å; D122-R286 IonicContact OD2-CZ 3.62Å; D122-R286 IonicContact OD2-NE 2.71Å; D122-R286 IonicContact OD2-NH2 3.91Å; D122-R286 PolarHBondContact OD2-NH2 3.34Å; D122-W296 HydrophobicContact CB-CH2 3.65Å; D122-W296 HydrophobicContact CB-CZ3 4.39Å
123Q98.5Very high98.4Very high18 Ų1819.3 Ų19.38%0.08410%0.1CC..Hα-helixtrans-67.6-43.8-178.5-65.5-162.155.600111.8L120 A121 L125 W126 R127 N155 V157L120-Q123 PolarHBondContact O-N 2.8Å; L120-Q123 VanDerWaalsContact O-N 3.13Å; A121-Q123 PolarHBondContact O-N 3.36Å; Q123-L125 VanDerWaalsContact C-N 3.35Å; Q123-W126 WeakPolarHBondContact O-CB 3.27Å; Q123-W126 PolarHBondContact O-N 3.09Å; Q123-R127 WeakPolarHBondContact O-CG 3.33Å; Q123-R127 PolarHBondContact O-N 2.96Å; Q123-R127 PolarHBondContact O-NH1 3.12Å; Q123-R127 VanDerWaalsContact O-NH1 3.08Å; Q123-N155 PolarHBondContact NE2-O 3.04Å; Q123-V157 HydrophobicContact CB-CB 4.01Å; Q123-V157 HydrophobicContact CB-CG2 3.9Å; Q123-V157 HydrophobicContact CG-CG2 4.44Å
124M98.8Very high98.3Very high0 Ų020.4 Ų20.40%010%0.099CC..Hα-helixtrans-63.5-40.8179-66.6170.882.600111.2L101 L120 A121 W126 R127 L128 F146 V157 L211 V214 L215 F218L101-M124 HydrophobicContact CD1-CE 4.25Å; L101-M124 HydrophobicContact CD1-SD 3.98Å; L120-M124 HydrophobicContact CB-SD 4.24Å; L120-M124 WeakPolarHBondContact O-CB 3.42Å; L120-M124 VanDerWaalsContact O-CG 3.23Å; L120-M124 WeakPolarHBondContact O-CG 3.07Å; L120-M124 PolarHBondContact O-N 3Å; A121-M124 PolarHBondContact O-N 2.9Å; M124-W126 VanDerWaalsContact C-N 3.33Å; M124-W126 PolarHBondContact O-N 3.27Å; M124-R127 WeakPolarHBondContact O-CB 3.36Å; M124-R127 PolarHBondContact O-N 2.9Å; M124-R127 VanDerWaalsContact O-N 3.08Å; M124-L128 PolarHBondContact O-N 2.72Å; M124-L128 VanDerWaalsContact O-N 3.09Å; M124-F146 HydrophobicContact CB-CE1 4.06Å; M124-F146 HydrophobicContact CB-CZ 4.46Å; M124-F146 HydrophobicContact CE-CD1 4.03Å; M124-F146 HydrophobicContact CE-CD2 3.42Å; M124-F146 VanDerWaalsContact CE-CD2 3.42Å; M124-F146 HydrophobicContact CE-CE1 3.99Å; M124-F146 HydrophobicContact CE-CE2 3.4Å; M124-F146 VanDerWaalsContact CE-CE2 3.4Å; M124-F146 HydrophobicContact CE-CG 3.75Å; M124-F146 HydrophobicContact CE-CZ 3.68Å; M124-F146 HydrophobicContact CG-CD1 3.87Å; M124-F146 HydrophobicContact CG-CE1 3.86Å; M124-F146 HydrophobicContact CG-CG 4.39Å; M124-F146 HydrophobicContact CG-CZ 4.4Å; M124-V157 HydrophobicContact CG-CG1 4.31Å; M124-L211 HydrophobicContact CB-CD1 3.89Å; M124-L211 HydrophobicContact CB-CD2 4.11Å; M124-L211 HydrophobicContact CE-CD1 3.29Å; M124-L211 HydrophobicContact CG-CD1 4.47Å; M124-L211 HydrophobicContact SD-CD1 3.88Å; M124-V214 HydrophobicContact CE-CG1 3.88Å; M124-L215 HydrophobicContact SD-CD2 4.42Å; M124-F218 HydrophobicContact SD-CE2 4.49Å
125L98.7Very high98.2Very high0 Ų019 Ų190%09%0.093CC..Hα-helixtrans-61.9-40.2174.1-77.5167.7000112.3A121 Q123 R127 L128 D129 M208 L211 Y263 L281 R282 F285A121-L125 VanDerWaalsContact O-CB 3.31Å; A121-L125 WeakPolarHBondContact O-CB 3.31Å; A121-L125 WeakPolarHBondContact O-CD1 3.39Å; A121-L125 VanDerWaalsContact O-CG 3.24Å; A121-L125 WeakPolarHBondContact O-CG 3.31Å; A121-L125 PolarHBondContact O-N 2.91Å; Q123-L125 VanDerWaalsContact C-N 3.35Å; L125-R127 VanDerWaalsContact C-N 3.32Å; L125-R127 PolarHBondContact O-N 3.41Å; L125-L128 PolarHBondContact O-N 3.5Å; L125-D129 VanDerWaalsContact O-CB 3.26Å; L125-D129 WeakPolarHBondContact O-CB 3.45Å; L125-D129 PolarHBondContact O-N 3.31Å; L125-M208 HydrophobicContact CD2-CE 3.39Å; L125-M208 HydrophobicContact CD2-SD 4.27Å; L125-L211 HydrophobicContact CD2-CD2 3.73Å; L125-L211 HydrophobicContact CG-CD2 3.91Å; L125-Y263 HydrophobicContact CD1-CE2 4.25Å; L125-Y263 HydrophobicContact CD2-CE2 3.8Å; L125-L281 HydrophobicContact CD1-CB 4.36Å; L125-R282 HydrophobicContact CB-CG 3.67Å; L125-R282 HydrophobicContact CD1-CG 3.68Å; L125-R282 HydrophobicContact CG-CG 4.3Å; L125-F285 HydrophobicContact CD1-CD2 4.02Å; L125-F285 HydrophobicContact CD1-CE2 4.19Å
126W98.2Very high98.2Very high80 Ų8017.5 Ų17.530%0.3039%0.087SC..Hα-helixtrans-59.9-40.2171.2-88.1114.5000112.6D122 Q123 M124 D129 F130 R282D122-W126 VanDerWaalsContact O-CD1 3.29Å; D122-W126 PolarHBondContact O-N 3.13Å; D122-W126 VanDerWaalsContact O-N 3.12Å; Q123-W126 WeakPolarHBondContact O-CB 3.27Å; Q123-W126 PolarHBondContact O-N 3.09Å; M124-W126 VanDerWaalsContact C-N 3.33Å; M124-W126 PolarHBondContact O-N 3.27Å; W126-D129 PolarHBondContact O-N 3.25Å; W126-F130 HydrophobicContact CB-CE2 4.11Å; W126-F130 HydrophobicContact CD2-CE2 4.42Å; W126-F130 HydrophobicContact CD2-CZ 4.06Å; W126-F130 HydrophobicContact CE3-CD1 4.24Å; W126-F130 AromaticContact CE3-CE1 3.49Å; W126-F130 HydrophobicContact CE3-CE1 3.49Å; W126-F130 VanDerWaalsContact CE3-CE1 3.49Å; W126-F130 AromaticContact CE3-CE2 3.88Å; W126-F130 HydrophobicContact CE3-CE2 3.88Å; W126-F130 AromaticContact CE3-CZ 3.27Å; W126-F130 HydrophobicContact CE3-CZ 3.27Å; W126-F130 HydrophobicContact CZ3-CD1 4.49Å; W126-F130 AromaticContact CZ3-CE1 3.6Å; W126-F130 HydrophobicContact CZ3-CE1 3.6Å; W126-F130 AromaticContact CZ3-CZ 3.73Å; W126-F130 HydrophobicContact CZ3-CZ 3.73Å; W126-F130 WeakPolarHBondContact O-CD2 3.25Å; W126-F130 VanDerWaalsContact O-CG 3.23Å; W126-F130 WeakPolarHBondContact O-CG 3.24Å; W126-F130 PolarHBondContact O-N 3.42Å; W126-R282 VanDerWaalsContact CE2-NH1 3.34Å; W126-R282 VanDerWaalsContact CZ2-NH2 3.25Å
127R98.5Very high98.2Very high14 Ų1417.5 Ų17.55%0.0539%0.087CC..Hα-helixtrans-61.2-47177.3-57.9-48.4167.7-94.61.3111.8Q123 M124 L125 F130 I131 F146 V157 I159Q123-R127 WeakPolarHBondContact O-CG 3.33Å; Q123-R127 PolarHBondContact O-N 2.96Å; Q123-R127 PolarHBondContact O-NH1 3.12Å; Q123-R127 VanDerWaalsContact O-NH1 3.08Å; M124-R127 WeakPolarHBondContact O-CB 3.36Å; M124-R127 PolarHBondContact O-N 2.9Å; M124-R127 VanDerWaalsContact O-N 3.08Å; L125-R127 VanDerWaalsContact C-N 3.32Å; L125-R127 PolarHBondContact O-N 3.41Å; R127-F130 PolarHBondContact O-N 2.99Å; R127-I131 WeakPolarHBondContact O-CD1 3.42Å; R127-I131 VanDerWaalsContact O-CG1 3.31Å; R127-I131 WeakPolarHBondContact O-CG1 3.33Å; R127-I131 PolarHBondContact O-N 3.22Å; R127-F146 HydrophobicContact CB-CE1 4.42Å; R127-F146 HydrophobicContact CG-CE1 4.5Å; R127-V157 PolarHBondContact NE-O 2.93Å; R127-V157 PolarHBondContact NH2-O 3.3Å; R127-I159 HydrophobicContact CB-CB 4.25Å; R127-I159 HydrophobicContact CB-CG2 3.86Å; R127-I159 HydrophobicContact CG-CB 4.36Å; R127-I159 HydrophobicContact CG-CG2 4.16Å
128L98.7Very high98.2Very high0 Ų017.5 Ų17.50%09%0.087CC..Hα-helixtrans-64.8-45.8178.5-62-172.7000111.8M124 L125 F130 I131 H132 I141 I159 D207 M208 L211M124-L128 PolarHBondContact O-N 2.72Å; M124-L128 VanDerWaalsContact O-N 3.09Å; L125-L128 PolarHBondContact O-N 3.5Å; L128-F130 VanDerWaalsContact C-N 3.3Å; L128-F130 PolarHBondContact O-N 2.92Å; L128-I131 PolarHBondContact O-N 3.39Å; L128-H132 VanDerWaalsContact O-CB 3.27Å; L128-H132 WeakPolarHBondContact O-CB 3.33Å; L128-H132 PolarHBondContact O-CD2 3.47Å; L128-H132 PolarHBondContact O-N 3.41Å; L128-I141 HydrophobicContact CD2-CD1 3.54Å; L128-I141 HydrophobicContact CD2-CG1 4.29Å; L128-I159 HydrophobicContact CD2-CD1 4.21Å; L128-D207 HydrophobicContact CD1-CB 4.43Å; L128-D207 HydrophobicContact CD2-CB 4.49Å; L128-M208 HydrophobicContact CB-SD 4.15Å; L128-M208 HydrophobicContact CD1-SD 3.72Å; L128-L211 HydrophobicContact CD1-CB 3.99Å; L128-L211 HydrophobicContact CD1-CD2 3.65Å; L128-L211 HydrophobicContact CD1-CG 4.42Å; L128-L211 HydrophobicContact CG-CD2 4.5Å
129D98.3Very high98.2Very high30 Ų3019 Ų1916%0.169%0.092CC..Hα-helixtrans-52.7-48.9176.2-172.52.9000110.9L125 W126 H132 A133 Y278 R282L125-D129 VanDerWaalsContact O-CB 3.26Å; L125-D129 WeakPolarHBondContact O-CB 3.45Å; L125-D129 PolarHBondContact O-N 3.31Å; W126-D129 PolarHBondContact O-N 3.25Å; D129-H132 PolarHBondContact O-N 3.28Å; D129-A133 VanDerWaalsContact O-CB 3.29Å; D129-A133 WeakPolarHBondContact O-CB 3.47Å; D129-A133 PolarHBondContact O-N 3.42Å; D129-Y278 HydrophobicContact CB-CD1 3.78Å; D129-Y278 HydrophobicContact CB-CD2 4.32Å; D129-Y278 HydrophobicContact CB-CE1 4.21Å; D129-Y278 HydrophobicContact CB-CG 3.86Å; D129-R282 IonicContact OD2-CZ 3.87Å; D129-R282 IonicContact OD2-NH1 2.77Å; D129-R282 PolarHBondContact OD2-NH1 2.89Å; D129-R282 IonicContact OD2-NH2 3.57Å; D129-R282 PolarHBondContact OD2-NH2 3.03Å
130F97.5Very high98.1Very high53 Ų5319.2 Ų19.223%0.2329%0.093CC..Hα-helixtrans-66.1-43.3178.8-61.9-43.9000114.1T71 P72 W126 R127 L128 H132 A133 K134T71-F130 HydrophobicContact CG2-CB 3.24Å; T71-F130 HydrophobicContact CG2-CD2 3.7Å; T71-F130 HydrophobicContact CG2-CG 3.63Å; P72-F130 HydrophobicContact CB-CE2 4.07Å; P72-F130 HydrophobicContact CG-CE2 4.15Å; P72-F130 HydrophobicContact CG-CZ 4.35Å; W126-F130 HydrophobicContact CB-CE2 4.11Å; W126-F130 HydrophobicContact CD2-CE2 4.42Å; W126-F130 HydrophobicContact CD2-CZ 4.06Å; W126-F130 HydrophobicContact CE3-CD1 4.24Å; W126-F130 AromaticContact CE3-CE1 3.49Å; W126-F130 HydrophobicContact CE3-CE1 3.49Å; W126-F130 VanDerWaalsContact CE3-CE1 3.49Å; W126-F130 AromaticContact CE3-CE2 3.88Å; W126-F130 HydrophobicContact CE3-CE2 3.88Å; W126-F130 AromaticContact CE3-CZ 3.27Å; W126-F130 HydrophobicContact CE3-CZ 3.27Å; W126-F130 HydrophobicContact CZ3-CD1 4.49Å; W126-F130 AromaticContact CZ3-CE1 3.6Å; W126-F130 HydrophobicContact CZ3-CE1 3.6Å; W126-F130 AromaticContact CZ3-CZ 3.73Å; W126-F130 HydrophobicContact CZ3-CZ 3.73Å; W126-F130 WeakPolarHBondContact O-CD2 3.25Å; W126-F130 VanDerWaalsContact O-CG 3.23Å; W126-F130 WeakPolarHBondContact O-CG 3.24Å; W126-F130 PolarHBondContact O-N 3.42Å; R127-F130 PolarHBondContact O-N 2.99Å; L128-F130 VanDerWaalsContact C-N 3.3Å; L128-F130 PolarHBondContact O-N 2.92Å; F130-H132 VanDerWaalsContact C-N 3.32Å; F130-H132 PolarHBondContact O-N 3.32Å; F130-A133 WeakPolarHBondContact O-CB 3.36Å; F130-A133 PolarHBondContact O-N 2.83Å; F130-K134 WeakPolarHBondContact O-CG 3.31Å; F130-K134 PolarHBondContact O-N 2.86Å; F130-K134 VanDerWaalsContact O-N 3.14Å
131I97.9Very high98.1Very high0 Ų019.4 Ų19.40%09%0.094CC..Hα-helixtrans-61.1-45.8177.2-69.6163000110L68 R127 L128 A133 K134 G135 F136 I159 F162L68-I131 HydrophobicContact CD1-CG1 4.27Å; R127-I131 WeakPolarHBondContact O-CD1 3.42Å; R127-I131 VanDerWaalsContact O-CG1 3.31Å; R127-I131 WeakPolarHBondContact O-CG1 3.33Å; R127-I131 PolarHBondContact O-N 3.22Å; L128-I131 PolarHBondContact O-N 3.39Å; I131-A133 PolarHBondContact O-N 3.13Å; I131-K134 PolarHBondContact O-N 3.38Å; I131-G135 PolarHBondContact O-N 2.97Å; I131-F136 CarbonylContact C-O 3.56Å; I131-F136 HydrophobicContact CG2-CB 3.89Å; I131-F136 PolarHBondContact O-N 3.35Å; I131-I159 HydrophobicContact CD1-CD1 3.78Å; I131-I159 HydrophobicContact CD1-CG1 4.49Å; I131-I159 HydrophobicContact CD1-CG2 3.69Å; I131-F162 HydrophobicContact CD1-CE1 3.65Å; I131-F162 HydrophobicContact CD1-CZ 3.92Å; I131-F162 HydrophobicContact CG1-CE1 4.01Å; I131-F162 HydrophobicContact CG1-CZ 4.32Å; I131-F162 HydrophobicContact CG2-CE1 4.46Å
132H98.3Very high98.1Very high2 Ų219.5 Ų19.51%0.00910%0.095CC..Hα-helixtrans-65.2-39.1178.7-66176.5000111.6L128 D129 F130 K134 G135 F136 F168 R169 R204 D207 Y278L128-H132 VanDerWaalsContact O-CB 3.27Å; L128-H132 WeakPolarHBondContact O-CB 3.33Å; L128-H132 PolarHBondContact O-CD2 3.47Å; L128-H132 PolarHBondContact O-N 3.41Å; D129-H132 PolarHBondContact O-N 3.28Å; F130-H132 VanDerWaalsContact C-N 3.32Å; F130-H132 PolarHBondContact O-N 3.32Å; H132-K134 PolarHBondContact O-N 3.12Å; H132-G135 PolarHBondContact O-N 3.25Å; H132-F136 WeakPolarHBondContact CA-O 3.37Å; H132-F136 PolarHBondContact CD2-O 2.71Å; H132-F136 VanDerWaalsContact CD2-O 3.22Å; H132-F168 HydrophobicContact CB-CE1 4.48Å; H132-F168 VanDerWaalsContact O-CE1 3.32Å; H132-F168 WeakPolarHBondContact O-CE1 3.49Å; H132-F168 WeakPolarHBondContact O-CZ 3.23Å; H132-R169 PolarHBondContact O-NH2 2.96Å; H132-R204 HydrophobicContact CB-CG 4.1Å; H132-D207 IonicContact NE2-OD2 3.07Å; H132-D207 PolarHBondContact NE2-OD2 3.14Å; H132-Y278 VanDerWaalsContact CB-OH 3.32Å; H132-Y278 WeakPolarHBondContact CB-OH 3.23Å; H132-Y278 AromaticContact ND1-CE1 3.69Å; H132-Y278 AromaticContact ND1-CZ 3.6Å; H132-Y278 PolarHBondContact ND1-OH 3.04Å
133A96.3Very high98.1Very high50 Ų5018.9 Ų18.941%0.4139%0.092SC..Hα-helixtrans-57.5-39.4174.500000111.7D129 F130 I131 G135 R169 R174D129-A133 VanDerWaalsContact O-CB 3.29Å; D129-A133 WeakPolarHBondContact O-CB 3.47Å; D129-A133 PolarHBondContact O-N 3.42Å; F130-A133 WeakPolarHBondContact O-CB 3.36Å; F130-A133 PolarHBondContact O-N 2.83Å; I131-A133 PolarHBondContact O-N 3.13Å; A133-G135 PolarHBondContact O-N 3.36Å; A133-R169 PolarHBondContact O-NH2 3.23Å; A133-R169 VanDerWaalsContact O-NH2 3.12Å; A133-R174 PolarHBondContact O-NH1 2.93Å
134K96.3Very high98Very high93 Ų9319 Ų1940%0.4049%0.093SC..THydrogen-bonded Turntrans-76.9-0.4176-63.1-72.2-177.6176.20114.4L68 F130 I131 H132L68-K134 HydrophobicContact CD2-CB 3.57Å; L68-K134 HydrophobicContact CD2-CG 3.67Å; F130-K134 WeakPolarHBondContact O-CG 3.31Å; F130-K134 PolarHBondContact O-N 2.86Å; F130-K134 VanDerWaalsContact O-N 3.14Å; I131-K134 PolarHBondContact O-N 3.38Å; H132-K134 PolarHBondContact O-N 3.12Å
135G97.2Very high98Very high5 Ų519.3 Ų19.35%0.0529%0.094CC..THydrogen-bonded Turntrans90.113.5171.300000114.9I131 H132 A133 K167 F168I131-G135 PolarHBondContact O-N 2.97Å; H132-G135 PolarHBondContact O-N 3.25Å; A133-G135 PolarHBondContact O-N 3.36Å; G135-K167 VanDerWaalsContact O-CA 3.31Å; G135-K167 WeakPolarHBondContact O-CA 3.5Å; G135-F168 VanDerWaalsContact O-CD1 3.26Å; G135-F168 WeakPolarHBondContact O-CD1 3.35Å; G135-F168 PolarHBondContact O-N 3.38Å
136F98.2Very high98Very high7 Ų719.3 Ų19.33%0.0319%0.094CC..EExtended strand (participates in β ladder)trans-109.6154.1176.8-71.4-92.1000111.4F60 V64 V67 I131 H132 K166 K167F60-F136 HydrophobicContact CZ-CE1 4.33Å; V64-F136 HydrophobicContact CG1-CD1 4.29Å; V64-F136 HydrophobicContact CG1-CE1 4.34Å; V64-F136 HydrophobicContact CG1-CG 4.46Å; V64-F136 HydrophobicContact CG2-CD1 4.23Å; V64-F136 HydrophobicContact CG2-CE1 3.72Å; V64-F136 HydrophobicContact CG2-CZ 4.2Å; V67-F136 HydrophobicContact CB-CE2 4.34Å; V67-F136 HydrophobicContact CG1-CE2 4.01Å; I131-F136 CarbonylContact C-O 3.56Å; I131-F136 HydrophobicContact CG2-CB 3.89Å; I131-F136 PolarHBondContact O-N 3.35Å; H132-F136 WeakPolarHBondContact CA-O 3.37Å; H132-F136 PolarHBondContact CD2-O 2.71Å; H132-F136 VanDerWaalsContact CD2-O 3.22Å; F136-K166 CarbonylContact C-O 3.54Å; F136-K166 VanDerWaalsContact CA-O 3.28Å; F136-K166 WeakPolarHBondContact CA-O 3.21Å; F136-K167 HydrophobicContact CD1-CG 3.87Å; F136-K167 HydrophobicContact CE1-CD 4.32Å; F136-K167 HydrophobicContact CE1-CG 3.36Å; F136-K167 HydrophobicContact CE2-CG 4.22Å; F136-K167 HydrophobicContact CG-CG 4.49Å; F136-K167 HydrophobicContact CZ-CD 4.15Å; F136-K167 VanDerWaalsContact CZ-CE 3.46Å; F136-K167 HydrophobicContact CZ-CG 3.58Å
137I98.6Very high98Very high0 Ų016.1 Ų16.10%08%0.083CC..EExtended strand (participates in β ladder)trans-114.2148.416052174.2000107.8R139 A165 K166 F168 Q202 R204 D207I137-R139 HydrophobicContact CB-CG 4.35Å; I137-R139 HydrophobicContact CD1-CG 3.72Å; I137-R139 HydrophobicContact CG1-CG 3.82Å; I137-A165 CarbonylContact O-C 3.53Å; I137-A165 WeakPolarHBondContact O-CA 3.18Å; I137-A165 WeakPolarHBondContact O-CB 3.47Å; I137-K166 HydrophobicContact CG1-CB 4.15Å; I137-K166 WeakPolarHBondContact CG1-O 3.24Å; I137-K166 PolarHBondContact N-O 2.68Å; I137-K166 PolarHBondContact O-N 2.81Å; I137-F168 HydrophobicContact CD1-CB 4.45Å; I137-F168 HydrophobicContact CG1-CB 4.37Å; I137-F168 HydrophobicContact CG2-CB 4.06Å; I137-F168 HydrophobicContact CG2-CD1 3.79Å; I137-F168 HydrophobicContact CG2-CG 4.12Å; I137-Q202 HydrophobicContact CD1-CB 4.05Å; I137-Q202 WeakPolarHBondContact CD1-O 3.45Å; I137-R204 HydrophobicContact CG2-CG 4Å; I137-D207 WeakPolarHBondContact CA-OD2 3.29Å; I137-D207 WeakPolarHBondContact CB-OD2 3.34Å
138H98.4Very high98Very high0 Ų015.7 Ų15.70%08%0.082CC..  trans-84.6-45.2-175-168.7-57.7000112.8D140 I141 I159 I160 D161 F162 L164 D207H138-D140 VanDerWaalsContact C-N 3.27Å; H138-D140 PolarHBondContact ND1-N 2.81Å; H138-D140 PolarHBondContact O-N 3.38Å; H138-I141 HydrophobicContact CB-CD1 3.61Å; H138-I141 HydrophobicContact CB-CG1 4.49Å; H138-I159 WeakPolarHBondContact CD2-CD1 3.48Å; H138-I160 PolarHBondContact NE2-O 3.5Å; H138-D161 PolarHBondContact CE1-O 2.89Å; H138-F162 AromaticContact CD2-CE1 3.89Å; H138-L164 CarbonylContact O-C 3.52Å; H138-D207 PolarHBondContact N-OD2 3.25Å
139R98.3Very high98Very high33 Ų3316 Ų1613%0.1259%0.085CC..SBendtrans65.511.2178-49.7-167.5-66.1169.43.5117.2I137 L164 I186 G187 Q202 D207I137-R139 HydrophobicContact CB-CG 4.35Å; I137-R139 HydrophobicContact CD1-CG 3.72Å; I137-R139 HydrophobicContact CG1-CG 3.82Å; R139-L164 PolarHBondContact NE-O 2.66Å; R139-L164 PolarHBondContact NH2-O 3.36Å; R139-I186 HydrophobicContact CB-CG2 4.27Å; R139-G187 WeakPolarHBondContact O-CA 3.38Å; R139-Q202 VanDerWaalsContact CB-OE1 3.24Å; R139-Q202 HydrophobicContact CG-CB 4.31Å; R139-Q202 VanDerWaalsContact CG-OE1 3.27Å; R139-D207 PolarHBondContact N-OD1 2.93Å
140D97.7Very high97.8Very high5 Ų518.2 Ų18.23%0.02710%0.096CC..  trans-148.351.6172.7-158.327.4000111H138 K142 N145 L164 G187 T188 K377H138-D140 VanDerWaalsContact C-N 3.27Å; H138-D140 PolarHBondContact ND1-N 2.81Å; H138-D140 PolarHBondContact O-N 3.38Å; D140-K142 PolarHBondContact O-N 2.95Å; D140-K142 IonicContact OD1-NZ 2.94Å; D140-K142 IonicContact OD2-NZ 2.92Å; D140-K142 PolarHBondContact OD2-NZ 3.06Å; D140-N145 PolarHBondContact O-ND2 3.32Å; D140-L164 HydrophobicContact CB-CD1 3.94Å; D140-G187 VanDerWaalsContact OD1-CA 3.29Å; D140-G187 WeakPolarHBondContact OD1-CA 3.38Å; D140-T188 WeakPolarHBondContact OD1-CB 3.28Å; D140-T188 PolarHBondContact OD1-N 3.08Å; D140-T188 PolarHBondContact OD1-OG1 3.43Å; D140-K377 IonicContact OD2-NZ 3.19Å
141I98.7Very high97.7Very high4 Ų418.7 Ų18.72%0.02112%0.116CC..  trans-69.4112.3176.9-57.8-50.5000109.3L128 H138 F146 I159 Y191 D207 L211 V214L128-I141 HydrophobicContact CD2-CD1 3.54Å; L128-I141 HydrophobicContact CD2-CG1 4.29Å; H138-I141 HydrophobicContact CB-CD1 3.61Å; H138-I141 HydrophobicContact CB-CG1 4.49Å; I141-F146 HydrophobicContact CD1-CZ 4.41Å; I141-F146 HydrophobicContact CG2-CE2 3.97Å; I141-F146 HydrophobicContact CG2-CZ 4.33Å; I141-I159 HydrophobicContact CD1-CD1 4.11Å; I141-Y191 VanDerWaalsContact O-CB 3.27Å; I141-Y191 WeakPolarHBondContact O-CB 2.79Å; I141-D207 HydrophobicContact CG1-CB 4.01Å; I141-L211 HydrophobicContact CG2-CB 4.11Å; I141-V214 HydrophobicContact CG2-CG2 4.33Å
142K98.4Very high97.5Very high2 Ų231.2 Ų31.21%0.00916%0.163CC..  trans-157.8156.9-179.867.8-167.7-173.3-159.10110.3D140 D144 N145 F146 T188 Y191D140-K142 PolarHBondContact O-N 2.95Å; D140-K142 IonicContact OD1-NZ 2.94Å; D140-K142 IonicContact OD2-NZ 2.92Å; D140-K142 PolarHBondContact OD2-NZ 3.06Å; K142-D144 HydrophobicContact CD-CB 4.4Å; K142-D144 HydrophobicContact CG-CB 4.16Å; K142-D144 PolarHBondContact O-N 3.44Å; K142-D144 VanDerWaalsContact O-N 3.17Å; K142-N145 WeakPolarHBondContact CE-ND2 3.41Å; K142-N145 WeakPolarHBondContact CE-OD1 3.28Å; K142-N145 HydrophobicContact CG-CB 4.22Å; K142-N145 PolarHBondContact O-N 3.47Å; K142-N145 VanDerWaalsContact O-N 3.08Å; K142-F146 VanDerWaalsContact O-CD2 3.3Å; K142-F146 WeakPolarHBondContact O-CD2 3.47Å; K142-T188 WeakPolarHBondContact CD-OG1 3.4Å; K142-Y191 HydrophobicContact CB-CD2 3.46Å; K142-Y191 VanDerWaalsContact CB-CD2 3.46Å; K142-Y191 HydrophobicContact CB-CE2 3.65Å; K142-Y191 HydrophobicContact CB-CG 4.36Å
143P98.6Very high97.4Very high0 Ų033.9 Ų33.90%018%0.175CC..G310 helixtrans-53.8-36.1-178.1-27.336.7000114.3L101 E102 N145 F146 Y191 V214 Y217 F218L101-P143 HydrophobicContact CB-CB 4.27Å; L101-P143 PolarHBondContact N-O 3.35Å; E102-P143 HydrophobicContact CB-CB 3.96Å; P143-N145 PolarHBondContact O-N 2.71Å; P143-F146 PolarHBondContact O-N 3.19Å; P143-F146 VanDerWaalsContact O-N 3.14Å; P143-F146 VanDerWaalsContact O-O 3.11Å; P143-Y191 VanDerWaalsContact CD-CZ 3.47Å; P143-Y191 HydrophobicContact CG-CE1 4.48Å; P143-V214 HydrophobicContact CG-CG1 4.02Å; P143-Y217 HydrophobicContact CG-CD1 3.98Å; P143-Y217 HydrophobicContact CG-CE1 3.91Å; P143-F218 HydrophobicContact CB-CE1 3.83Å; P143-F218 HydrophobicContact CB-CZ 3.78Å; P143-F218 HydrophobicContact CG-CE1 3.76Å; P143-F218 HydrophobicContact CG-CZ 3.8Å
144D97.3Very high97.3Very high21 Ų2134.3 Ų34.311%0.11218%0.175CC..G310 helixtrans-61.9-27.3-179.6-44.8-111.8000113.7K142 F146 L147K142-D144 HydrophobicContact CD-CB 4.4Å; K142-D144 HydrophobicContact CG-CB 4.16Å; K142-D144 PolarHBondContact O-N 3.44Å; K142-D144 VanDerWaalsContact O-N 3.17Å; D144-F146 VanDerWaalsContact C-N 3.35Å; D144-L147 VanDerWaalsContact O-CD1 3.22Å; D144-L147 WeakPolarHBondContact O-CD1 3.46Å
145N98Very high97.3Very high6 Ų632.7 Ų32.73%0.03217%0.171CC..G310 helixtrans-91.70.4-177.8-74.5-8.2000112.7D140 K142 P143 I159 I160D140-N145 PolarHBondContact O-ND2 3.32Å; K142-N145 WeakPolarHBondContact CE-ND2 3.41Å; K142-N145 WeakPolarHBondContact CE-OD1 3.28Å; K142-N145 HydrophobicContact CG-CB 4.22Å; K142-N145 PolarHBondContact O-N 3.47Å; K142-N145 VanDerWaalsContact O-N 3.08Å; P143-N145 PolarHBondContact O-N 2.71Å; N145-I159 WeakPolarHBondContact O-CA 3.37Å; N145-I160 HydrophobicContact CB-CG1 4.47Å; N145-I160 PolarHBondContact O-N 2.84Å
146F98.7Very high97.4Very high0 Ų037.5 Ų37.50%019%0.187CC..EExtended strand (participates in β ladder)trans-110118.4170.6-67.7-87000109.4S100 L101 M124 R127 I141 K142 P143 D144 V157 F158 I159S100-F146 CarbonylContact C-O 3.55Å; S100-F146 VanDerWaalsContact CA-O 3.32Å; S100-F146 WeakPolarHBondContact CA-O 3.4Å; L101-F146 HydrophobicContact CD1-CB 3.57Å; L101-F146 HydrophobicContact CD1-CG 4.34Å; L101-F146 HydrophobicContact CG-CB 3.78Å; L101-F146 WeakPolarHBondContact CG-O 3.36Å; L101-F146 PolarHBondContact N-O 3.31Å; M124-F146 HydrophobicContact CB-CE1 4.06Å; M124-F146 HydrophobicContact CB-CZ 4.46Å; M124-F146 HydrophobicContact CE-CD1 4.03Å; M124-F146 HydrophobicContact CE-CD2 3.42Å; M124-F146 VanDerWaalsContact CE-CD2 3.42Å; M124-F146 HydrophobicContact CE-CE1 3.99Å; M124-F146 HydrophobicContact CE-CE2 3.4Å; M124-F146 VanDerWaalsContact CE-CE2 3.4Å; M124-F146 HydrophobicContact CE-CG 3.75Å; M124-F146 HydrophobicContact CE-CZ 3.68Å; M124-F146 HydrophobicContact CG-CD1 3.87Å; M124-F146 HydrophobicContact CG-CE1 3.86Å; M124-F146 HydrophobicContact CG-CG 4.39Å; M124-F146 HydrophobicContact CG-CZ 4.4Å; R127-F146 HydrophobicContact CB-CE1 4.42Å; R127-F146 HydrophobicContact CG-CE1 4.5Å; I141-F146 HydrophobicContact CD1-CZ 4.41Å; I141-F146 HydrophobicContact CG2-CE2 3.97Å; I141-F146 HydrophobicContact CG2-CZ 4.33Å; K142-F146 VanDerWaalsContact O-CD2 3.3Å; K142-F146 WeakPolarHBondContact O-CD2 3.47Å; P143-F146 PolarHBondContact O-N 3.19Å; P143-F146 VanDerWaalsContact O-N 3.14Å; P143-F146 VanDerWaalsContact O-O 3.11Å; D144-F146 VanDerWaalsContact C-N 3.35Å; F146-V157 HydrophobicContact CB-CG1 4.05Å; F146-V157 HydrophobicContact CD1-CG1 3.73Å; F146-V157 HydrophobicContact CG-CG1 4.34Å; F146-F158 CarbonylContact C-O 3.57Å; F146-F158 WeakPolarHBondContact CA-O 3.32Å; F146-I159 HydrophobicContact CD1-CB 4.12Å; F146-I159 HydrophobicContact CD1-CD1 4.48Å; F146-I159 HydrophobicContact CD1-CG1 4.28Å; F146-I159 HydrophobicContact CE1-CB 3.99Å; F146-I159 HydrophobicContact CE1-CD1 3.65Å; F146-I159 HydrophobicContact CE1-CG1 3.94Å; F146-I159 HydrophobicContact CE2-CD1 4.44Å; F146-I159 HydrophobicContact CZ-CD1 3.63Å; F146-I159 HydrophobicContact CZ-CG1 4.21Å
147L98.5Very high97.4Very high14 Ų1437.2 Ų37.27%0.07319%0.186CC..EExtended strand (participates in β ladder)trans-116.8149.3-178.4-80.365.5000110.1L97 G98 P99 D144 V157 F158 I160L97-L147 HydrophobicContact CB-CB 4.11Å; L97-L147 HydrophobicContact CB-CD2 3.84Å; L97-L147 HydrophobicContact CD1-CB 4.05Å; L97-L147 HydrophobicContact CD1-CD2 4.22Å; G98-L147 WeakPolarHBondContact O-CD2 3.45Å; P99-L147 WeakPolarHBondContact O-CA 3.42Å; D144-L147 VanDerWaalsContact O-CD1 3.22Å; D144-L147 WeakPolarHBondContact O-CD1 3.46Å; L147-V157 CarbonylContact O-C 3.53Å; L147-V157 WeakPolarHBondContact O-CA 3.32Å; L147-F158 PolarHBondContact N-O 3.01Å; L147-F158 PolarHBondContact O-N 3.14Å; L147-I160 HydrophobicContact CD1-CD1 3.45Å; L147-I160 VanDerWaalsContact CD1-CD1 3.45Å; L147-I160 HydrophobicContact CD1-CG1 3.82Å; L147-I160 HydrophobicContact CD2-CD1 4Å; L147-I160 HydrophobicContact CG-CD1 4.39Å
148M98.5Very high97.4Very high5 Ų537.4 Ų37.43%0.02519%0.187CC..EExtended strand (participates in β ladder)trans-78.9149.7167-61.4-56.4-66.200109.9G98 P99 L101 L104 C154 V157 F300 W302G98-M148 VanDerWaalsContact CA-O 3.27Å; G98-M148 WeakPolarHBondContact CA-O 3.26Å; G98-M148 PolarHBondContact N-O 3.03Å; P99-M148 PolarHBondContact O-N 2.84Å; L101-M148 HydrophobicContact CD2-CG 4.41Å; L101-M148 HydrophobicContact CD2-SD 4.06Å; L104-M148 HydrophobicContact CD1-CG 3.47Å; L104-M148 VanDerWaalsContact CD1-CG 3.47Å; M148-C154 WeakPolarHBondContact CE-O 3.44Å; M148-V157 HydrophobicContact CE-CG2 4.46Å; M148-V157 HydrophobicContact SD-CG2 3.77Å; M148-F300 HydrophobicContact CE-CE2 4.08Å; M148-F300 HydrophobicContact CE-CZ 4.37Å; M148-W302 HydrophobicContact CE-CZ2 4.07Å; M148-W302 HydrophobicContact CG-CZ2 4.23Å; M148-W302 HydrophobicContact SD-CZ2 4.03Å
149G97.8Very high97.4Very high5 Ų537.4 Ų37.45%0.05219%0.187CC..  trans-67.3179.1169.700000112.7Q153 C154 R156G149-Q153 VanDerWaalsContact CA-O 3.31Å; G149-Q153 WeakPolarHBondContact CA-O 3.47Å; G149-Q153 PolarHBondContact N-O 3.37Å; G149-C154 WeakPolarHBondContact O-CA 2.91Å; G149-R156 PolarHBondContact N-O 2.88Å
150I95.5Very high97.3Very high77 Ų7737 Ų3740%0.39519%0.187SC..  trans-115.2165.1172.559.3175.6000110.9L96 R152 Q153L96-I150 WeakPolarHBondContact O-CD1 3.48Å; I150-R152 PolarHBondContact O-N 2.83Å; I150-Q153 PolarHBondContact O-N 3.46Å
151G94.9Very high97.2Very high63 Ų6337.9 Ų37.965%0.64919%0.192SC*.G310 helixtrans52.9-126.1177.400000112.5Q153 C154G151-Q153 PolarHBondContact O-N 2.83Å; G151-Q153 VanDerWaalsContact O-N 3.09Å; G151-C154 VanDerWaalsContact O-CB 3.31Å; G151-C154 WeakPolarHBondContact O-CB 3.27Å; G151-C154 PolarHBondContact O-N 3.45Å; G151-C154 VanDerWaalsContact O-N 3.13Å; G151-C154 PolarHBondContact O-SG 3.01Å
152R94.3Very high97Very high263 Ų26337.7 Ų37.799%0.99219%0.191SC*.G310 helixtrans-63.3-14.4179.7-64.4-176.6179.4-179.9-0.1114.2I150I150-R152 PolarHBondContact O-N 2.83Å
153Q94.6Very high96.8Very high58 Ų5838 Ų3827%0.27119%0.194SC..G310 helixtrans-104.712179.9-61.3-177.3-12.900112.7G149 I150 G151 N155 R156 F158G149-Q153 VanDerWaalsContact CA-O 3.31Å; G149-Q153 WeakPolarHBondContact CA-O 3.47Å; G149-Q153 PolarHBondContact N-O 3.37Å; I150-Q153 PolarHBondContact O-N 3.46Å; G151-Q153 PolarHBondContact O-N 2.83Å; G151-Q153 VanDerWaalsContact O-N 3.09Å; Q153-N155 PolarHBondContact O-N 2.85Å; Q153-R156 HydrophobicContact CB-CB 4.46Å; Q153-R156 WeakPolarHBondContact O-CB 3.35Å; Q153-R156 PolarHBondContact O-N 3.32Å; Q153-F158 HydrophobicContact CB-CE2 4.36Å
154C95.5Very high96.6Very high59 Ų5939.4 Ų39.440%0.39920%0.202SC..THydrogen-bonded Turntrans-57.7-20.5-176.763.30000115.3M148 G149 G151M148-C154 WeakPolarHBondContact CE-O 3.44Å; G149-C154 WeakPolarHBondContact O-CA 2.91Å; G151-C154 VanDerWaalsContact O-CB 3.31Å; G151-C154 WeakPolarHBondContact O-CB 3.27Å; G151-C154 PolarHBondContact O-N 3.45Å; G151-C154 VanDerWaalsContact O-N 3.13Å; G151-C154 PolarHBondContact O-SG 3.01Å
155N96.4Very high96.6Very high60 Ų6038.6 Ų38.632%0.32120%0.198SC..THydrogen-bonded Turntrans-96.2-0.8177.9-64.9-25.7000113.8Q123 Q153 Y298Q123-N155 PolarHBondContact NE2-O 3.04Å; Q153-N155 PolarHBondContact O-N 2.85Å; N155-Y298 HydrophobicContact CB-CD1 3.79Å; N155-Y298 HydrophobicContact CB-CG 3.94Å; N155-Y298 VanDerWaalsContact CG-CB 3.49Å; N155-Y298 WeakPolarHBondContact ND2-CB 3.38Å
156R97.8Very high96.5Very high106 Ų10640.9 Ų40.940%0.421%0.207SC..  trans-97.8126.6-179.1-177.5178.6-69.8179.9-2.5109.9G149 Q153 F158G149-R156 PolarHBondContact N-O 2.88Å; Q153-R156 HydrophobicContact CB-CB 4.46Å; Q153-R156 WeakPolarHBondContact O-CB 3.35Å; Q153-R156 PolarHBondContact O-N 3.32Å; R156-F158 HydrophobicContact CB-CE2 3.97Å; R156-F158 HydrophobicContact CG-CD2 4.28Å; R156-F158 HydrophobicContact CG-CE2 3.77Å; R156-F158 HydrophobicContact CG-CZ 4.23Å; R156-F158 WeakPolarHBondContact O-CD2 3.5Å
157V98.6Very high96.5Very high0 Ų046.8 Ų46.80%023%0.233CC..EExtended strand (participates in β ladder)trans-75.9137.1169.4-179.70000109.2L120 Q123 M124 R127 F146 L147 M148L120-V157 HydrophobicContact CD2-CG2 3.59Å; Q123-V157 HydrophobicContact CB-CB 4.01Å; Q123-V157 HydrophobicContact CB-CG2 3.9Å; Q123-V157 HydrophobicContact CG-CG2 4.44Å; M124-V157 HydrophobicContact CG-CG1 4.31Å; R127-V157 PolarHBondContact NE-O 2.93Å; R127-V157 PolarHBondContact NH2-O 3.3Å; F146-V157 HydrophobicContact CB-CG1 4.05Å; F146-V157 HydrophobicContact CD1-CG1 3.73Å; F146-V157 HydrophobicContact CG-CG1 4.34Å; L147-V157 CarbonylContact O-C 3.53Å; L147-V157 WeakPolarHBondContact O-CA 3.32Å; M148-V157 HydrophobicContact CE-CG2 4.46Å; M148-V157 HydrophobicContact SD-CG2 3.77Å
158F98.6Very high96.5Very high4 Ų446.1 Ų46.12%0.01823%0.23CC..EExtended strand (participates in β ladder)trans-114.7153.1171.4-74.8-100.7000109G73 P75 L97 F146 L147 Q153 R156G73-F158 WeakPolarHBondContact O-CA 3.22Å; G73-F158 WeakPolarHBondContact O-CD1 3.35Å; P75-F158 HydrophobicContact CB-CD1 4.44Å; L97-F158 HydrophobicContact CD1-CB 3.58Å; L97-F158 HydrophobicContact CD1-CD1 4.24Å; L97-F158 HydrophobicContact CD1-CG 3.89Å; L97-F158 HydrophobicContact CD2-CB 4.38Å; L97-F158 HydrophobicContact CD2-CD1 3.93Å; L97-F158 HydrophobicContact CD2-CD2 3.86Å; L97-F158 HydrophobicContact CD2-CE1 4.16Å; L97-F158 HydrophobicContact CD2-CE2 4.1Å; L97-F158 HydrophobicContact CD2-CG 3.78Å; L97-F158 HydrophobicContact CD2-CZ 4.26Å; F146-F158 CarbonylContact C-O 3.57Å; F146-F158 WeakPolarHBondContact CA-O 3.32Å; L147-F158 PolarHBondContact N-O 3.01Å; L147-F158 PolarHBondContact O-N 3.14Å; Q153-F158 HydrophobicContact CB-CE2 4.36Å; R156-F158 HydrophobicContact CB-CE2 3.97Å; R156-F158 HydrophobicContact CG-CD2 4.28Å; R156-F158 HydrophobicContact CG-CE2 3.77Å; R156-F158 HydrophobicContact CG-CZ 4.23Å; R156-F158 WeakPolarHBondContact O-CD2 3.5Å
159I98.5Very high96.4Very high0 Ų047.2 Ų47.20%023%0.233CC..EExtended strand (participates in β ladder)trans-116.8137.1170.5-171170000109.4G73 I74 R127 L128 I131 H138 I141 N145 F146 F162G73-I159 PolarHBondContact O-N 2.91Å; I74-I159 HydrophobicContact CD1-CG2 3.5Å; I74-I159 VanDerWaalsContact CD1-CG2 3.5Å; R127-I159 HydrophobicContact CB-CB 4.25Å; R127-I159 HydrophobicContact CB-CG2 3.86Å; R127-I159 HydrophobicContact CG-CB 4.36Å; R127-I159 HydrophobicContact CG-CG2 4.16Å; L128-I159 HydrophobicContact CD2-CD1 4.21Å; I131-I159 HydrophobicContact CD1-CD1 3.78Å; I131-I159 HydrophobicContact CD1-CG1 4.49Å; I131-I159 HydrophobicContact CD1-CG2 3.69Å; H138-I159 WeakPolarHBondContact CD2-CD1 3.48Å; I141-I159 HydrophobicContact CD1-CD1 4.11Å; N145-I159 WeakPolarHBondContact O-CA 3.37Å; F146-I159 HydrophobicContact CD1-CB 4.12Å; F146-I159 HydrophobicContact CD1-CD1 4.48Å; F146-I159 HydrophobicContact CD1-CG1 4.28Å; F146-I159 HydrophobicContact CE1-CB 3.99Å; F146-I159 HydrophobicContact CE1-CD1 3.65Å; F146-I159 HydrophobicContact CE1-CG1 3.94Å; F146-I159 HydrophobicContact CE2-CD1 4.44Å; F146-I159 HydrophobicContact CZ-CD1 3.63Å; F146-I159 HydrophobicContact CZ-CG1 4.21Å; I159-F162 HydrophobicContact CG2-CZ 4.14Å
160I96.7Very high96.3Very high24 Ų2450.5 Ų50.512%0.12325%0.25CC..  trans-132.7176.3-173.969.1164.4000111.7P75 L97 H138 N145 L147P75-I160 HydrophobicContact CG-CG2 3.99Å; L97-I160 HydrophobicContact CD1-CG2 3.78Å; H138-I160 PolarHBondContact NE2-O 3.5Å; N145-I160 HydrophobicContact CB-CG1 4.47Å; N145-I160 PolarHBondContact O-N 2.84Å; L147-I160 HydrophobicContact CD1-CD1 3.45Å; L147-I160 VanDerWaalsContact CD1-CD1 3.45Å; L147-I160 HydrophobicContact CD1-CG1 3.82Å; L147-I160 HydrophobicContact CD2-CD1 4Å; L147-I160 HydrophobicContact CG-CD1 4.39Å
161D94.7Very high96Very high25 Ų2554.2 Ų54.213%0.13427%0.265CS..  trans65.469.3174.1-159.314.9000114.4K47 Y65 H138 G163K47-D161 IonicContact NZ-OD1 3.4Å; K47-D161 PolarHBondContact NZ-OD1 3.37Å; Y65-D161 PolarHBondContact OH-N 3.26Å; H138-D161 PolarHBondContact CE1-O 2.89Å; D161-G163 PolarHBondContact O-N 3.4Å
162F95.7Very high95.9Very high0 Ų061.5 Ų61.50%027%0.273CS..G310 helixtrans-83.315175.6-63.2-82.9000113.4E61 V64 Y65 L68 I74 I131 H138 I159 L164 A165E61-F162 HydrophobicContact CG-CB 4.07Å; V64-F162 HydrophobicContact CB-CB 4.04Å; V64-F162 HydrophobicContact CB-CG 4.46Å; V64-F162 HydrophobicContact CG1-CB 3.81Å; V64-F162 HydrophobicContact CG1-CD1 3.81Å; V64-F162 HydrophobicContact CG1-CG 3.79Å; Y65-F162 HydrophobicContact CD1-CD2 4.12Å; Y65-F162 HydrophobicContact CD1-CE2 4.11Å; Y65-F162 HydrophobicContact CD2-CD2 4.24Å; Y65-F162 AromaticContact CE1-CD2 3.68Å; Y65-F162 HydrophobicContact CE1-CD2 3.68Å; Y65-F162 AromaticContact CE1-CE2 3.57Å; Y65-F162 HydrophobicContact CE1-CE2 3.57Å; Y65-F162 AromaticContact CE2-CD2 3.85Å; Y65-F162 HydrophobicContact CE2-CD2 3.85Å; Y65-F162 HydrophobicContact CG-CD2 4.37Å; Y65-F162 AromaticContact CZ-CD2 3.54Å; Y65-F162 AromaticContact CZ-CE2 3.85Å; L68-F162 HydrophobicContact CD1-CD1 4.09Å; L68-F162 HydrophobicContact CD1-CE1 3.53Å; L68-F162 HydrophobicContact CD1-CE2 4.04Å; L68-F162 HydrophobicContact CD1-CZ 3.52Å; I74-F162 HydrophobicContact CD1-CE2 4.17Å; I74-F162 HydrophobicContact CD1-CZ 3.69Å; I131-F162 HydrophobicContact CD1-CE1 3.65Å; I131-F162 HydrophobicContact CD1-CZ 3.92Å; I131-F162 HydrophobicContact CG1-CE1 4.01Å; I131-F162 HydrophobicContact CG1-CZ 4.32Å; I131-F162 HydrophobicContact CG2-CE1 4.46Å; H138-F162 AromaticContact CD2-CE1 3.89Å; I159-F162 HydrophobicContact CG2-CZ 4.14Å; F162-L164 PolarHBondContact O-N 3.14Å; F162-A165 HydrophobicContact CB-CB 3.94Å; F162-A165 HydrophobicContact CD1-CB 4Å; F162-A165 HydrophobicContact CG-CB 4.49Å; F162-A165 VanDerWaalsContact O-CB 3.31Å; F162-A165 WeakPolarHBondContact O-CB 3.16Å; F162-A165 PolarHBondContact O-N 2.88Å
163G93.3Very high96Very high8 Ų852.7 Ų52.78%0.08225%0.249CC..G310 helixtrans-58.9-31.5179.600000113.1Q57 D161Q57-G163 VanDerWaalsContact OE1-C 3.32Å; Q57-G163 PolarHBondContact OE1-O 2.76Å; D161-G163 PolarHBondContact O-N 3.4Å
164L94.5Very high96Very high30 Ų3056.3 Ų56.316%0.15726%0.26CS..G310 helixtrans-97.72.3175.6-61.7-179000113.8H138 R139 D140 F162 I186H138-L164 CarbonylContact O-C 3.52Å; R139-L164 PolarHBondContact NE-O 2.66Å; R139-L164 PolarHBondContact NH2-O 3.36Å; D140-L164 HydrophobicContact CB-CD1 3.94Å; F162-L164 PolarHBondContact O-N 3.14Å; L164-I186 HydrophobicContact CB-CG2 4.36Å; L164-I186 HydrophobicContact CD1-CG2 4.18Å; L164-I186 HydrophobicContact CD2-CG2 4.31Å
165A96.9Very high96.1Very high3 Ų362.1 Ų62.13%0.02527%0.273CS..  trans-64.2157.3-178.600000112.2F60 I137 F162F60-A165 HydrophobicContact CE1-CB 4.34Å; F60-A165 WeakPolarHBondContact CE1-O 3.42Å; F60-A165 WeakPolarHBondContact CZ-O 3.3Å; I137-A165 CarbonylContact O-C 3.53Å; I137-A165 WeakPolarHBondContact O-CA 3.18Å; I137-A165 WeakPolarHBondContact O-CB 3.47Å; F162-A165 HydrophobicContact CB-CB 3.94Å; F162-A165 HydrophobicContact CD1-CB 4Å; F162-A165 HydrophobicContact CG-CB 4.49Å; F162-A165 VanDerWaalsContact O-CB 3.31Å; F162-A165 WeakPolarHBondContact O-CB 3.16Å; F162-A165 PolarHBondContact O-N 2.88Å
166K96.9Very high96.2Very high55 Ų5560 Ų6024%0.23926%0.262CS..EExtended strand (participates in β ladder)trans-145.9144.6178-179.2171172.6178.50110.9F136 I137 F168 E201F136-K166 CarbonylContact C-O 3.54Å; F136-K166 VanDerWaalsContact CA-O 3.28Å; F136-K166 WeakPolarHBondContact CA-O 3.21Å; I137-K166 HydrophobicContact CG1-CB 4.15Å; I137-K166 WeakPolarHBondContact CG1-O 3.24Å; I137-K166 PolarHBondContact N-O 2.68Å; I137-K166 PolarHBondContact O-N 2.81Å; K166-F168 PolarHBondContact O-N 3.05Å; K166-E201 IonicContact NZ-OE1 2.74Å; K166-E201 PolarHBondContact NZ-OE1 3.23Å; K166-E201 IonicContact NZ-OE2 2.69Å; K166-E201 PolarHBondContact NZ-OE2 3.43Å
167K97.5Very high96.2Very high124 Ų12456.9 Ų56.954%0.53925%0.252SS..EExtended strand (participates in β ladder)trans-70.8121168.7-68.2-176.4179179.50109.1G135 F136G135-K167 VanDerWaalsContact O-CA 3.31Å; G135-K167 WeakPolarHBondContact O-CA 3.5Å; F136-K167 HydrophobicContact CD1-CG 3.87Å; F136-K167 HydrophobicContact CE1-CD 4.32Å; F136-K167 HydrophobicContact CE1-CG 3.36Å; F136-K167 HydrophobicContact CE2-CG 4.22Å; F136-K167 HydrophobicContact CG-CG 4.49Å; F136-K167 HydrophobicContact CZ-CD 4.15Å; F136-K167 VanDerWaalsContact CZ-CE 3.46Å; F136-K167 HydrophobicContact CZ-CG 3.58Å
168F98.3Very high96.2Very high0 Ų060 Ų600%027%0.274CS..  trans-96.4-10.917776.7-91000112.7H132 G135 I137 K166 H176 I177 R204H132-F168 HydrophobicContact CB-CE1 4.48Å; H132-F168 VanDerWaalsContact O-CE1 3.32Å; H132-F168 WeakPolarHBondContact O-CE1 3.49Å; H132-F168 WeakPolarHBondContact O-CZ 3.23Å; G135-F168 VanDerWaalsContact O-CD1 3.26Å; G135-F168 WeakPolarHBondContact O-CD1 3.35Å; G135-F168 PolarHBondContact O-N 3.38Å; I137-F168 HydrophobicContact CD1-CB 4.45Å; I137-F168 HydrophobicContact CG1-CB 4.37Å; I137-F168 HydrophobicContact CG2-CB 4.06Å; I137-F168 HydrophobicContact CG2-CD1 3.79Å; I137-F168 HydrophobicContact CG2-CG 4.12Å; K166-F168 PolarHBondContact O-N 3.05Å; F168-H176 AromaticContact CD2-CD2 3.51Å; F168-H176 AromaticContact CD2-NE2 3.44Å; F168-H176 WeakPolarHBondContact CD2-NE2 3.31Å; F168-H176 CarbonylContact O-C 3.54Å; F168-H176 WeakPolarHBondContact O-CA 3.46Å; F168-I177 HydrophobicContact CB-CD1 4.41Å; F168-I177 HydrophobicContact CB-CG1 4.49Å; F168-I177 WeakPolarHBondContact O-CG1 3.39Å; F168-I177 PolarHBondContact O-N 3.37Å; F168-R204 HydrophobicContact CD1-CG 4.24Å; F168-R204 HydrophobicContact CD2-CG 4.33Å; F168-R204 HydrophobicContact CE1-CG 3.95Å; F168-R204 HydrophobicContact CE2-CG 4.07Å; F168-R204 VanDerWaalsContact CE2-CZ 3.43Å; F168-R204 HydrophobicContact CG-CG 4.41Å; F168-R204 HydrophobicContact CZ-CG 3.87Å
169R97.1Very high96.2Very high27 Ų2765.3 Ų65.310%0.10230%0.295CS..BIsolated β-bridgetrans-148.4156.3174.963.7177.2170.3-153.4-6.4111.7H132 A133 R174 R175H132-R169 PolarHBondContact O-NH2 2.96Å; A133-R169 PolarHBondContact O-NH2 3.23Å; A133-R169 VanDerWaalsContact O-NH2 3.12Å; R169-R174 VanDerWaalsContact NH1-CZ 3.25Å; R169-R175 CarbonylContact C-O 3.54Å; R169-R175 WeakPolarHBondContact CA-O 3.44Å; R169-R175 VanDerWaalsContact CB-O 3.28Å; R169-R175 WeakPolarHBondContact CB-O 3.41Å
170D95.1Very high96.1Very high75 Ų7571.7 Ų71.740%0.40132%0.319SS..  trans-67.7141.9168.9177.9-113.7000111R172 T173 R174 R175D170-R172 PolarHBondContact OD1-N 3.17Å; D170-R172 VanDerWaalsContact OD1-N 3.17Å; D170-T173 VanDerWaalsContact CB-OG1 3.28Å; D170-T173 WeakPolarHBondContact CB-OG1 3.31Å; D170-T173 WeakPolarHBondContact OD1-CB 3.22Å; D170-T173 WeakPolarHBondContact OD1-CG2 3.37Å; D170-T173 PolarHBondContact OD1-N 3.14Å; D170-T173 PolarHBondContact OD1-OG1 3.4Å; D170-R174 VanDerWaalsContact O-CA 3.22Å; D170-R174 WeakPolarHBondContact O-CA 3.49Å; D170-R174 PolarHBondContact O-N 3.41Å; D170-R174 VanDerWaalsContact O-N 3.13Å; D170-R175 PolarHBondContact N-O 3.08Å
171H90.6Very high96Very high154 Ų15475.8 Ų75.871%0.71334%0.341SS*.THydrogen-bonded Turntrans-69.5-39.4-175.2-178.567.3000112
172R93Very high96Very high216 Ų21679.9 Ų79.982%0.81536%0.363SS*.THydrogen-bonded Turntrans-85-54.2-173.6-176.4175.766.2112.3-1.3111.8D170 R174D170-R172 PolarHBondContact OD1-N 3.17Å; D170-R172 VanDerWaalsContact OD1-N 3.17Å; R172-R174 VanDerWaalsContact C-N 3.33Å
173T95.9Very high96Very high79 Ų7982.4 Ų82.449%0.48537%0.374SS..THydrogen-bonded Turntrans-82-13.9-175.862.80000113.1D170 R175D170-T173 VanDerWaalsContact CB-OG1 3.28Å; D170-T173 WeakPolarHBondContact CB-OG1 3.31Å; D170-T173 WeakPolarHBondContact OD1-CB 3.22Å; D170-T173 WeakPolarHBondContact OD1-CG2 3.37Å; D170-T173 PolarHBondContact OD1-N 3.14Å; D170-T173 PolarHBondContact OD1-OG1 3.4Å; T173-R175 PolarHBondContact O-N 2.94Å; T173-R175 WeakPolarHBondContact OG1-CB 3.24Å; T173-R175 PolarHBondContact OG1-N 2.56Å
174R94.9Very high96Very high133 Ų13386.4 Ų86.450%0.50240%0.401SS..  trans59.18.5-174.1-55.7-71.4-74.1-161.2-15.4114.2A133 R169 D170 R172 H176A133-R174 PolarHBondContact O-NH1 2.93Å; R169-R174 VanDerWaalsContact NH1-CZ 3.25Å; D170-R174 VanDerWaalsContact O-CA 3.22Å; D170-R174 WeakPolarHBondContact O-CA 3.49Å; D170-R174 PolarHBondContact O-N 3.41Å; D170-R174 VanDerWaalsContact O-N 3.13Å; R172-R174 VanDerWaalsContact C-N 3.33Å; R174-H176 PolarHBondContact O-N 3.12Å
175R97.2Very high95.9Very high182 Ų18287 Ų8769%0.68740%0.404SS*.PPolyproline II helixtrans-63.6128.2178.6-167.8-179.7113-173.75.1110R169 D170 T173R169-R175 CarbonylContact C-O 3.54Å; R169-R175 WeakPolarHBondContact CA-O 3.44Å; R169-R175 VanDerWaalsContact CB-O 3.28Å; R169-R175 WeakPolarHBondContact CB-O 3.41Å; D170-R175 PolarHBondContact N-O 3.08Å; T173-R175 PolarHBondContact O-N 2.94Å; T173-R175 WeakPolarHBondContact OG1-CB 3.24Å; T173-R175 PolarHBondContact OG1-N 2.56Å
176H98.5Very high95.7Very high16 Ų1688.7 Ų88.77%0.07441%0.412CS..BIsolated β-bridgetrans-68.3154177.3-156-86.3000111F168 R174 F272 E273F168-H176 AromaticContact CD2-CD2 3.51Å; F168-H176 AromaticContact CD2-NE2 3.44Å; F168-H176 WeakPolarHBondContact CD2-NE2 3.31Å; F168-H176 CarbonylContact O-C 3.54Å; F168-H176 WeakPolarHBondContact O-CA 3.46Å; R174-H176 PolarHBondContact O-N 3.12Å; H176-F272 AromaticContact CE1-CD1 3.98Å; H176-F272 AromaticContact CE1-CE1 3.57Å; H176-F272 AromaticContact CE1-CZ 3.69Å; H176-F272 AromaticContact ND1-CE1 3.52Å; H176-F272 AromaticContact ND1-CZ 3.99Å; H176-E273 HydrophobicContact CB-CB 4.26Å; H176-E273 HydrophobicContact CB-CG 3.96Å
177I98.2Very high95.5Very high39 Ų3986.8 Ų86.820%0.241%0.408CS..PPolyproline II helixtrans-62.4149.1165.658.3173000109.3F168 E201 F272F168-I177 HydrophobicContact CB-CD1 4.41Å; F168-I177 HydrophobicContact CB-CG1 4.49Å; F168-I177 WeakPolarHBondContact O-CG1 3.39Å; F168-I177 PolarHBondContact O-N 3.37Å; I177-E201 HydrophobicContact CD1-CG 3.88Å; I177-F272 HydrophobicContact CD1-CZ 4.38Å; I177-F272 HydrophobicContact CG1-CZ 4.09Å; I177-F272 VanDerWaalsContact O-CE1 3.3Å; I177-F272 WeakPolarHBondContact O-CE1 3.34Å
178S97.6Very high95.4Very high67 Ų6781.9 Ų81.947%0.46939%0.389SS..PPolyproline II helixtrans-69.6147178.1-53.70000111.8
179Y98.1Very high95.4Very high115 Ų11582.2 Ų82.245%0.45139%0.391SS..PPolyproline II helixtrans-60.8140.7170.7-177.3-88000111.2D181 I200 F272Y179-D181 HydrophobicContact CE1-CB 4.21Å; Y179-I200 HydrophobicContact CD2-CG2 4.28Å; Y179-I200 HydrophobicContact CE2-CG2 3.46Å; Y179-I200 VanDerWaalsContact CE2-CG2 3.46Å; Y179-I200 WeakPolarHBondContact OH-CD1 3.38Å; Y179-I200 WeakPolarHBondContact OH-CG1 3.43Å; Y179-F272 HydrophobicContact CD2-CB 4.09Å; Y179-F272 HydrophobicContact CD2-CD1 4.03Å; Y179-F272 HydrophobicContact CD2-CD2 4.13Å; Y179-F272 HydrophobicContact CD2-CE1 4.5Å; Y179-F272 AromaticContact CD2-CG 3.82Å; Y179-F272 HydrophobicContact CD2-CG 3.82Å
180R97.4Very high95.4Very high133 Ų13383.3 Ų83.350%0.50240%0.395SS..  trans-150.3151173.2-55.2-175.4-176.4-169.13.8109.5D182 I200 E201R180-D182 WeakPolarHBondContact CB-OD1 3.45Å; R180-I200 WeakPolarHBondContact O-CA 3.46Å; R180-E201 HydrophobicContact CB-CB 4.22Å; R180-E201 WeakPolarHBondContact O-CB 3.4Å; R180-E201 PolarHBondContact O-N 3.06Å
181D94.7Very high95.6Very high110 Ų11079.8 Ų79.859%0.58838%0.377SS*.  trans-127.116.6-178.1537.9000113.5Y179 G199 I200Y179-D181 HydrophobicContact CE1-CB 4.21Å; D181-G199 CarbonylContact C-O 3.51Å; D181-G199 VanDerWaalsContact CA-O 3.3Å; D181-G199 WeakPolarHBondContact CA-O 3.42Å; D181-I200 HydrophobicContact CB-CG1 4.33Å
182D94.4Very high95.9Very high111 Ų11172.8 Ų72.859%0.59435%0.345SS*.  trans-103.327.9-179.269.3-24.8000112.8R180 G199R180-D182 WeakPolarHBondContact CB-OD1 3.45Å; D182-G199 PolarHBondContact N-O 3.48Å
183K95.2Very high96.2Very high53 Ų5362.5 Ų62.523%0.2331%0.307CS..PPolyproline II helixtrans-97.4148.8-175.1-56.4-58176.7-124.30112.6G199 E201K183-G199 WeakPolarHBondContact CA-O 3.33Å; K183-G199 VanDerWaalsContact CB-O 3.23Å; K183-G199 WeakPolarHBondContact CB-O 3.42Å; K183-G199 PolarHBondContact N-O 3.48Å; K183-G199 WeakPolarHBondContact O-CA 3.25Å; K183-E201 WeakPolarHBondContact CE-OE2 3.4Å; K183-E201 HydrophobicContact CG-CB 4.21Å
184S93.4Very high96.3Very high93 Ų9360.3 Ų60.365%0.6529%0.292SS*.PPolyproline II helixtrans-81.8155.8163.956.20000110.3I186S184-I186 PolarHBondContact O-N 3.23Å
185L93.8Very high96.4Very high41 Ų4155.6 Ų55.622%0.21528%0.276CS..PPolyproline II helixtrans-59121.2172.9179.264.7000110.3A189 A192 S196 Y237L185-A189 HydrophobicContact CD2-CB 3.79Å; L185-A192 HydrophobicContact CD1-CB 3.7Å; L185-S196 WeakPolarHBondContact CD1-O 3.39Å; L185-S196 WeakPolarHBondContact CD1-OG 3.27Å; L185-Y237 HydrophobicContact CD2-CD1 4.36Å; L185-Y237 HydrophobicContact CD2-CD2 3.68Å; L185-Y237 HydrophobicContact CD2-CE2 3.99Å; L185-Y237 HydrophobicContact CD2-CG 3.85Å
186I92.6Very high96.4Very high40 Ų4047 Ų4721%0.20524%0.244CC..  trans-110.9136176-64.7171.9000108.8R139 L164 S184 Q202R139-I186 HydrophobicContact CB-CG2 4.27Å; L164-I186 HydrophobicContact CB-CG2 4.36Å; L164-I186 HydrophobicContact CD1-CG2 4.18Å; L164-I186 HydrophobicContact CD2-CG2 4.31Å; S184-I186 PolarHBondContact O-N 3.23Å; I186-Q202 PolarHBondContact O-NE2 2.95Å
187G92.9Very high96.3Very high14 Ų1447.5 Ų47.514%0.14425%0.246CC..SBendtrans97.6-149.5178.500000113.2R139 D140R139-G187 WeakPolarHBondContact O-CA 3.38Å; D140-G187 VanDerWaalsContact OD1-CA 3.29Å; D140-G187 WeakPolarHBondContact OD1-CA 3.38Å
188T95.2Very high96.2Very high22 Ų2248.1 Ų48.114%0.13526%0.257CS..  trans-103.9112.2-174.8-57.30000110.3D140 K142 R190 Y191 A192 K377D140-T188 WeakPolarHBondContact OD1-CB 3.28Å; D140-T188 PolarHBondContact OD1-N 3.08Å; D140-T188 PolarHBondContact OD1-OG1 3.43Å; K142-T188 WeakPolarHBondContact CD-OG1 3.4Å; T188-R190 HydrophobicContact CG2-CB 4.29Å; T188-R190 PolarHBondContact O-N 2.97Å; T188-Y191 HydrophobicContact CG2-CD2 3.92Å; T188-Y191 HydrophobicContact CG2-CE2 4.22Å; T188-Y191 PolarHBondContact O-N 2.7Å; T188-A192 PolarHBondContact O-N 2.99Å; T188-K377 WeakPolarHBondContact OG1-CE 3.5Å
189A96.9Very high96.1Very high7 Ų745.3 Ų45.36%0.05824%0.239CC..THydrogen-bonded Turntrans-50.8-35-173.100000114.5L185 Y191 H197 Y237 I240 K244L185-A189 HydrophobicContact CD2-CB 3.79Å; A189-Y191 VanDerWaalsContact C-N 3.31Å; A189-Y191 PolarHBondContact O-N 3.02Å; A189-H197 PolarHBondContact O-NE2 3.45Å; A189-Y237 HydrophobicContact CB-CD1 3.58Å; A189-Y237 HydrophobicContact CB-CE1 3.55Å; A189-Y237 HydrophobicContact CB-CG 4.35Å; A189-I240 HydrophobicContact CB-CD1 4.06Å; A189-K244 PolarHBondContact O-NZ 3.05Å
190R97.9Very high96.1Very high49 Ų4941 Ų4119%0.18522%0.224CC..THydrogen-bonded Turntrans-57.3-40.8178.1-168.8-173.7-62146.1-2.5112.5T188 L223 W225 Q226 K244 E378T188-R190 HydrophobicContact CG2-CB 4.29Å; T188-R190 PolarHBondContact O-N 2.97Å; R190-L223 HydrophobicContact CG-CD1 4.12Å; R190-W225 PolarHBondContact O-NE1 2.99Å; R190-Q226 HydrophobicContact CG-CG 4.09Å; R190-K244 WeakPolarHBondContact O-CE 3.25Å; R190-K244 PolarHBondContact O-NZ 3.17Å; R190-E378 IonicContact NH2-OE2 3.66Å; R190-E378 PolarHBondContact NH2-OE2 3.17Å
191Y98.5Very high96.1Very high2 Ų235 Ų351%0.00820%0.201CC..THydrogen-bonded Turntrans-107.6-9.9-176.3-49-71.7000113.2I141 K142 P143 T188 A189 S210 Y213 V214 Y217 L223I141-Y191 VanDerWaalsContact O-CB 3.27Å; I141-Y191 WeakPolarHBondContact O-CB 2.79Å; K142-Y191 HydrophobicContact CB-CD2 3.46Å; K142-Y191 VanDerWaalsContact CB-CD2 3.46Å; K142-Y191 HydrophobicContact CB-CE2 3.65Å; K142-Y191 HydrophobicContact CB-CG 4.36Å; P143-Y191 VanDerWaalsContact CD-CZ 3.47Å; P143-Y191 HydrophobicContact CG-CE1 4.48Å; T188-Y191 HydrophobicContact CG2-CD2 3.92Å; T188-Y191 HydrophobicContact CG2-CE2 4.22Å; T188-Y191 PolarHBondContact O-N 2.7Å; A189-Y191 VanDerWaalsContact C-N 3.31Å; A189-Y191 PolarHBondContact O-N 3.02Å; Y191-S210 WeakPolarHBondContact O-CA 3.32Å; Y191-S210 WeakPolarHBondContact O-CB 3.01Å; Y191-S210 PolarHBondContact O-OG 2.77Å; Y191-Y213 WeakPolarHBondContact O-CD2 3.35Å; Y191-V214 HydrophobicContact CD1-CG2 3.59Å; Y191-V214 HydrophobicContact CE1-CG2 4.04Å; Y191-V214 HydrophobicContact CG-CG2 3.94Å; Y191-Y217 HydrophobicContact CE1-CD1 4.19Å; Y191-Y217 HydrophobicContact CE1-CG 4.06Å; Y191-L223 HydrophobicContact CD1-CD1 4.15Å; Y191-L223 HydrophobicContact CE1-CD1 4.1Å
192A98.1Very high96.3Very high7 Ų730.2 Ų30.26%0.05818%0.176CC..  trans-57.1144.6178.800000113.3L185 T188 K244L185-A192 HydrophobicContact CD1-CB 3.7Å; T188-A192 PolarHBondContact O-N 2.99Å; A192-K244 PolarHBondContact O-NZ 3.4Å
193S98.4Very high96.5Very high0 Ų025 Ų250%015%0.148CC..  trans-62.2160.9173.867.10000112.3N195 S196 H197 D206 E209S193-N195 VanDerWaalsContact C-N 3.3Å; S193-N195 PolarHBondContact O-N 3.32Å; S193-S196 PolarHBondContact O-N 3.04Å; S193-S196 WeakPolarHBondContact OG-CB 3.37Å; S193-S196 PolarHBondContact OG-N 3.37Å; S193-S196 VanDerWaalsContact OG-N 3.09Å; S193-H197 PolarHBondContact O-CD2 3.16Å; S193-H197 PolarHBondContact O-N 3.19Å; S193-D206 VanDerWaalsContact CB-OD1 3.3Å; S193-D206 WeakPolarHBondContact CB-OD1 3.38Å; S193-D206 WeakPolarHBondContact OG-CB 3.49Å; S193-D206 PolarHBondContact OG-OD1 3.03Å; S193-E209 WeakPolarHBondContact CA-OE1 3.28Å
194L97.7Very high96.7Very high32 Ų3222.9 Ų22.917%0.16814%0.138CC..Hα-helixtrans-58.7-42.2171.4-77176.5000111.9S196 H197 A198 E209 K244 A245 R268L194-S196 VanDerWaalsContact C-N 3.29Å; L194-S196 PolarHBondContact O-N 2.99Å; L194-H197 WeakPolarHBondContact O-CB 3.35Å; L194-H197 PolarHBondContact O-N 3Å; L194-H197 VanDerWaalsContact O-N 3.1Å; L194-A198 PolarHBondContact O-N 2.73Å; L194-E209 PolarHBondContact N-OE1 3.29Å; L194-K244 HydrophobicContact CD2-CB 3.59Å; L194-A245 HydrophobicContact CD2-CB 4.19Å; L194-R268 VanDerWaalsContact CD1-CZ 3.46Å
195N97.7Very high96.9Very high34 Ų3419.5 Ų19.518%0.18211%0.111CC..Hα-helixtrans-59.1-41.4177.4-62.1-43.8000111.7S193 H197 A198 G199 I200 R205 D206S193-N195 VanDerWaalsContact C-N 3.3Å; S193-N195 PolarHBondContact O-N 3.32Å; N195-H197 VanDerWaalsContact C-N 3.28Å; N195-H197 PolarHBondContact O-N 3.07Å; N195-A198 CarbonylContact O-C 3.46Å; N195-A198 PolarHBondContact O-N 3.02Å; N195-A198 VanDerWaalsContact O-N 3.15Å; N195-G199 PolarHBondContact O-N 3.12Å; N195-I200 HydrophobicContact CB-CB 4.03Å; N195-I200 HydrophobicContact CB-CD1 4.23Å; N195-I200 HydrophobicContact CB-CG2 4.36Å; N195-I200 WeakPolarHBondContact O-CB 3.46Å; N195-I200 PolarHBondContact O-N 2.71Å; N195-R205 PolarHBondContact ND2-NE 2.91Å; N195-D206 WeakPolarHBondContact CB-OD1 3.48Å; N195-D206 PolarHBondContact ND2-OD1 2.92Å
196S97.2Very high97.2Very high2 Ų217.5 Ų17.51%0.01410%0.101CC..Hα-helixtrans-67.3-29.8178.7-172.50000112.9L185 S193 L194 Q202L185-S196 WeakPolarHBondContact CD1-O 3.39Å; L185-S196 WeakPolarHBondContact CD1-OG 3.27Å; S193-S196 PolarHBondContact O-N 3.04Å; S193-S196 WeakPolarHBondContact OG-CB 3.37Å; S193-S196 PolarHBondContact OG-N 3.37Å; S193-S196 VanDerWaalsContact OG-N 3.09Å; L194-S196 VanDerWaalsContact C-N 3.29Å; L194-S196 PolarHBondContact O-N 2.99Å; S196-Q202 PolarHBondContact OG-NE2 3.45Å
197H96.5Very high97.5Very high26 Ų2615.6 Ų15.612%0.129%0.091CC..Hα-helixtrans-72.1-36.5171.7-85.7-75.8000111.8A189 S193 L194 N195 G199 H241A189-H197 PolarHBondContact O-NE2 3.45Å; S193-H197 PolarHBondContact O-CD2 3.16Å; S193-H197 PolarHBondContact O-N 3.19Å; L194-H197 WeakPolarHBondContact O-CB 3.35Å; L194-H197 PolarHBondContact O-N 3Å; L194-H197 VanDerWaalsContact O-N 3.1Å; N195-H197 VanDerWaalsContact C-N 3.28Å; N195-H197 PolarHBondContact O-N 3.07Å; H197-G199 PolarHBondContact O-N 3.48Å; H197-G199 VanDerWaalsContact O-N 3.17Å; H197-H241 HydrophobicContact CB-CB 3.83Å; H197-H241 VanDerWaalsContact CB-CD2 3.49Å; H197-H241 WeakPolarHBondContact CB-CD2 3.37Å; H197-H241 VanDerWaalsContact CB-CG 3.49Å
198A95.5Very high97.7Very high52 Ų5215 Ų1543%0.438%0.084SC..THydrogen-bonded Turntrans-74.16.2176.500000114.3L194 N195 I200L194-A198 PolarHBondContact O-N 2.73Å; N195-A198 CarbonylContact O-C 3.46Å; N195-A198 PolarHBondContact O-N 3.02Å; N195-A198 VanDerWaalsContact O-N 3.15Å; A198-I200 VanDerWaalsContact C-N 3.26Å; A198-I200 HydrophobicContact CB-CD1 4.2Å; A198-I200 HydrophobicContact CB-CG1 4.29Å; A198-I200 PolarHBondContact O-N 2.93Å
199G96Very high97.9Very high9 Ų914 Ų149%0.0938%0.079CC..THydrogen-bonded Turntrans7414.2179.800000114.7D181 D182 K183 N195 H197D181-G199 CarbonylContact C-O 3.51Å; D181-G199 VanDerWaalsContact CA-O 3.3Å; D181-G199 WeakPolarHBondContact CA-O 3.42Å; D182-G199 PolarHBondContact N-O 3.48Å; K183-G199 WeakPolarHBondContact CA-O 3.33Å; K183-G199 VanDerWaalsContact CB-O 3.23Å; K183-G199 WeakPolarHBondContact CB-O 3.42Å; K183-G199 PolarHBondContact N-O 3.48Å; K183-G199 WeakPolarHBondContact O-CA 3.25Å; N195-G199 PolarHBondContact O-N 3.12Å; H197-G199 PolarHBondContact O-N 3.48Å; H197-G199 VanDerWaalsContact O-N 3.17Å
200I97.7Very high98Very high24 Ų2414 Ų1412%0.1238%0.078CC..PPolyproline II helixtrans-79.3137177.1-58.6170.1000109.5Y179 R180 D181 N195 A198 Q202Y179-I200 HydrophobicContact CD2-CG2 4.28Å; Y179-I200 HydrophobicContact CE2-CG2 3.46Å; Y179-I200 VanDerWaalsContact CE2-CG2 3.46Å; Y179-I200 WeakPolarHBondContact OH-CD1 3.38Å; Y179-I200 WeakPolarHBondContact OH-CG1 3.43Å; R180-I200 WeakPolarHBondContact O-CA 3.46Å; D181-I200 HydrophobicContact CB-CG1 4.33Å; N195-I200 HydrophobicContact CB-CB 4.03Å; N195-I200 HydrophobicContact CB-CD1 4.23Å; N195-I200 HydrophobicContact CB-CG2 4.36Å; N195-I200 WeakPolarHBondContact O-CB 3.46Å; N195-I200 PolarHBondContact O-N 2.71Å; A198-I200 VanDerWaalsContact C-N 3.26Å; A198-I200 HydrophobicContact CB-CD1 4.2Å; A198-I200 HydrophobicContact CB-CG1 4.29Å; A198-I200 PolarHBondContact O-N 2.93Å; I200-Q202 PolarHBondContact O-N 3.08Å
201E98.1Very high98.1Very high6 Ų611.7 Ų11.73%0.0287%0.069CC..PPolyproline II helixtrans-53.4129.7172.9-17574.6-99.400109.7K166 I177 R180 K183 F272K166-E201 IonicContact NZ-OE1 2.74Å; K166-E201 PolarHBondContact NZ-OE1 3.23Å; K166-E201 IonicContact NZ-OE2 2.69Å; K166-E201 PolarHBondContact NZ-OE2 3.43Å; I177-E201 HydrophobicContact CD1-CG 3.88Å; R180-E201 HydrophobicContact CB-CB 4.22Å; R180-E201 WeakPolarHBondContact O-CB 3.4Å; R180-E201 PolarHBondContact O-N 3.06Å; K183-E201 WeakPolarHBondContact CE-OE2 3.4Å; K183-E201 HydrophobicContact CG-CB 4.21Å; E201-F272 HydrophobicContact CB-CE2 4.3Å; E201-F272 HydrophobicContact CB-CZ 4.35Å; E201-F272 HydrophobicContact CG-CE2 4.44Å; E201-F272 HydrophobicContact CG-CZ 4.24Å; E201-F272 WeakPolarHBondContact O-CE2 3.4Å
202Q98.6Very high98.1Very high10 Ų1011.7 Ų11.75%0.0477%0.07CC..PPolyproline II helixtrans-75.4144.5-178.2-66-179.233.500110.9I137 R139 I186 S196 I200 D206I137-Q202 HydrophobicContact CD1-CB 4.05Å; I137-Q202 WeakPolarHBondContact CD1-O 3.45Å; R139-Q202 VanDerWaalsContact CB-OE1 3.24Å; R139-Q202 HydrophobicContact CG-CB 4.31Å; R139-Q202 VanDerWaalsContact CG-OE1 3.27Å; I186-Q202 PolarHBondContact O-NE2 2.95Å; S196-Q202 PolarHBondContact OG-NE2 3.45Å; I200-Q202 PolarHBondContact O-N 3.08Å; Q202-D206 WeakPolarHBondContact CA-OD2 3.4Å; Q202-D206 HydrophobicContact CB-CB 4.09Å; Q202-D206 HydrophobicContact CG-CB 4.14Å
203S98.6Very high98.1Very high1 Ų111.3 Ų11.31%0.0077%0.067CC..  trans-131-167.1167.484.20000110.8R205 D206 F272S203-R205 PolarHBondContact O-N 3.23Å; S203-D206 PolarHBondContact N-OD2 3.1Å; S203-D206 WeakPolarHBondContact O-CB 3.46Å; S203-D206 PolarHBondContact O-N 2.94Å; S203-D206 VanDerWaalsContact O-N 3.12Å; S203-F272 WeakPolarHBondContact CB-O 3.02Å; S203-F272 PolarHBondContact OG-O 3.37Å
204R98.8Very high98.1Very high9 Ų911.3 Ų11.33%0.0347%0.067CC..Hα-helixtrans-57.1-33.9-177.8-69.2170.1-78.4-178-0.4112.8H132 I137 F168 D206 D207 M208 E273 E274 T275 P276H132-R204 HydrophobicContact CB-CG 4.1Å; I137-R204 HydrophobicContact CG2-CG 4Å; F168-R204 HydrophobicContact CD1-CG 4.24Å; F168-R204 HydrophobicContact CD2-CG 4.33Å; F168-R204 HydrophobicContact CE1-CG 3.95Å; F168-R204 HydrophobicContact CE2-CG 4.07Å; F168-R204 VanDerWaalsContact CE2-CZ 3.43Å; F168-R204 HydrophobicContact CG-CG 4.41Å; F168-R204 HydrophobicContact CZ-CG 3.87Å; R204-D206 PolarHBondContact O-N 2.9Å; R204-D207 PolarHBondContact O-N 3.4Å; R204-M208 VanDerWaalsContact O-CG 3.25Å; R204-M208 WeakPolarHBondContact O-CG 3.47Å; R204-M208 PolarHBondContact O-N 3.42Å; R204-E273 PolarHBondContact NH2-O 3.3Å; R204-E274 PolarHBondContact NH2-O 2.76Å; R204-T275 PolarHBondContact NH1-OG1 3.09Å; R204-P276 HydrophobicContact CB-CG 4.02Å
205R98.7Very high98.2Very high22 Ų229.9 Ų9.98%0.0836%0.059CC..Hα-helixtrans-61.6-31-179.768.8-173177.9170.32.2112.5N195 S203 M208 E209 L270N195-R205 PolarHBondContact ND2-NE 2.91Å; S203-R205 PolarHBondContact O-N 3.23Å; R205-M208 PolarHBondContact O-N 2.88Å; R205-E209 PolarHBondContact O-N 3.42Å; R205-L270 HydrophobicContact CB-CB 3.73Å; R205-L270 HydrophobicContact CB-CD1 3.88Å; R205-L270 HydrophobicContact CB-CG 4.48Å; R205-L270 WeakPolarHBondContact CD-O 3.13Å; R205-L270 PolarHBondContact NH1-O 2.92Å
206D98.8Very high98.2Very high0 Ų08.2 Ų8.20%05%0.051CC..Hα-helixtrans-75.7-38.4-175.7-58.5-72000112.2S193 N195 Q202 S203 R204 M208 S210S193-D206 VanDerWaalsContact CB-OD1 3.3Å; S193-D206 WeakPolarHBondContact CB-OD1 3.38Å; S193-D206 WeakPolarHBondContact OG-CB 3.49Å; S193-D206 PolarHBondContact OG-OD1 3.03Å; N195-D206 WeakPolarHBondContact CB-OD1 3.48Å; N195-D206 PolarHBondContact ND2-OD1 2.92Å; Q202-D206 WeakPolarHBondContact CA-OD2 3.4Å; Q202-D206 HydrophobicContact CB-CB 4.09Å; Q202-D206 HydrophobicContact CG-CB 4.14Å; S203-D206 PolarHBondContact N-OD2 3.1Å; S203-D206 WeakPolarHBondContact O-CB 3.46Å; S203-D206 PolarHBondContact O-N 2.94Å; S203-D206 VanDerWaalsContact O-N 3.12Å; R204-D206 PolarHBondContact O-N 2.9Å; D206-M208 VanDerWaalsContact C-N 3.27Å; D206-M208 PolarHBondContact O-N 3.06Å; D206-S210 VanDerWaalsContact O-CB 3.28Å; D206-S210 WeakPolarHBondContact O-CB 3.42Å; D206-S210 PolarHBondContact O-N 3.07Å; D206-S210 PolarHBondContact O-OG 3.37Å
207D98.9Very high98.3Very high0 Ų08.2 Ų8.20%05%0.05CC..Hα-helixtrans-62.2-38.3170.7-80.4-18.8000111L128 H132 I137 H138 R139 I141 R204 L211L128-D207 HydrophobicContact CD1-CB 4.43Å; L128-D207 HydrophobicContact CD2-CB 4.49Å; H132-D207 IonicContact NE2-OD2 3.07Å; H132-D207 PolarHBondContact NE2-OD2 3.14Å; I137-D207 WeakPolarHBondContact CA-OD2 3.29Å; I137-D207 WeakPolarHBondContact CB-OD2 3.34Å; H138-D207 PolarHBondContact N-OD2 3.25Å; R139-D207 PolarHBondContact N-OD1 2.93Å; I141-D207 HydrophobicContact CG1-CB 4.01Å; R204-D207 PolarHBondContact O-N 3.4Å; D207-L211 PolarHBondContact O-N 3.36Å
208M98.8Very high98.4Very high0 Ų07 Ų70%04%0.044CC..Hα-helixtrans-70.7-46.1179-58.9-64.8-70.600111.9L125 L128 R204 R205 D206 S210 L211 G212 Y263 C267 P276 Y278 L281L125-M208 HydrophobicContact CD2-CE 3.39Å; L125-M208 HydrophobicContact CD2-SD 4.27Å; L128-M208 HydrophobicContact CB-SD 4.15Å; L128-M208 HydrophobicContact CD1-SD 3.72Å; R204-M208 VanDerWaalsContact O-CG 3.25Å; R204-M208 WeakPolarHBondContact O-CG 3.47Å; R204-M208 PolarHBondContact O-N 3.42Å; R205-M208 PolarHBondContact O-N 2.88Å; D206-M208 VanDerWaalsContact C-N 3.27Å; D206-M208 PolarHBondContact O-N 3.06Å; M208-S210 VanDerWaalsContact C-N 3.27Å; M208-S210 PolarHBondContact O-N 3.21Å; M208-L211 WeakPolarHBondContact O-CB 3.3Å; M208-L211 PolarHBondContact O-N 3.45Å; M208-G212 PolarHBondContact O-N 2.93Å; M208-Y263 WeakPolarHBondContact O-CE1 3.25Å; M208-Y263 PolarHBondContact O-OH 2.93Å; M208-C267 HydrophobicContact CB-CB 4.44Å; M208-P276 HydrophobicContact CE-CB 4.18Å; M208-P276 HydrophobicContact CG-CB 4.13Å; M208-P276 HydrophobicContact CG-CG 3.82Å; M208-Y278 HydrophobicContact CE-CD1 3.8Å; M208-Y278 HydrophobicContact CE-CE1 3.97Å; M208-Y278 HydrophobicContact SD-CD1 4.05Å; M208-Y278 HydrophobicContact SD-CE1 3.67Å; M208-L281 HydrophobicContact CE-CD1 3.45Å; M208-L281 VanDerWaalsContact CE-CD1 3.45Å
209E98.8Very high98.6Very high3 Ų34.7 Ų4.71%0.0143%0.025CC..Hα-helixtrans-59.5-41.9174.3-171.6-177142.800111S193 L194 R205 L211 G212 Y213 C267 R268S193-E209 WeakPolarHBondContact CA-OE1 3.28Å; L194-E209 PolarHBondContact N-OE1 3.29Å; R205-E209 PolarHBondContact O-N 3.42Å; E209-L211 VanDerWaalsContact C-N 3.34Å; E209-L211 PolarHBondContact O-N 3.49Å; E209-G212 WeakPolarHBondContact O-CA 3.4Å; E209-G212 PolarHBondContact O-N 2.97Å; E209-G212 VanDerWaalsContact O-N 3.08Å; E209-Y213 HydrophobicContact CG-CD2 4.46Å; E209-Y213 HydrophobicContact CG-CE2 3.7Å; E209-Y213 WeakPolarHBondContact O-CD2 3.37Å; E209-Y213 PolarHBondContact O-N 3.09Å; E209-Y213 VanDerWaalsContact O-N 3.12Å; E209-Y213 WeakPolarHBondContact OE1-CE2 3.3Å; E209-Y213 VanDerWaalsContact OE1-CZ 3.29Å; E209-Y213 PolarHBondContact OE1-OH 2.88Å; E209-C267 HydrophobicContact CB-CB 4.14Å; E209-R268 IonicContact OE1-NE 3.48Å
210S98.9Very high98.7Very high6 Ų68.1 Ų8.14%0.0424%0.035CC..Hα-helixtrans-61.2-41.3176.9-570000112.2Y191 D206 M208 G212 Y213 V214Y191-S210 WeakPolarHBondContact O-CA 3.32Å; Y191-S210 WeakPolarHBondContact O-CB 3.01Å; Y191-S210 PolarHBondContact O-OG 2.77Å; D206-S210 VanDerWaalsContact O-CB 3.28Å; D206-S210 WeakPolarHBondContact O-CB 3.42Å; D206-S210 PolarHBondContact O-N 3.07Å; D206-S210 PolarHBondContact O-OG 3.37Å; M208-S210 VanDerWaalsContact C-N 3.27Å; M208-S210 PolarHBondContact O-N 3.21Å; S210-G212 VanDerWaalsContact C-N 3.31Å; S210-G212 PolarHBondContact O-N 3.36Å; S210-Y213 PolarHBondContact O-N 3.06Å; S210-V214 WeakPolarHBondContact O-CG2 3.41Å; S210-V214 PolarHBondContact O-N 2.83Å
211L98.9Very high98.7Very high0 Ų07.7 Ų7.70%04%0.037CC..Hα-helixtrans-61.2-40.5173.2177.958000111.4M124 L125 L128 I141 D207 M208 E209 Y213 V214 L215M124-L211 HydrophobicContact CB-CD1 3.89Å; M124-L211 HydrophobicContact CB-CD2 4.11Å; M124-L211 HydrophobicContact CE-CD1 3.29Å; M124-L211 HydrophobicContact CG-CD1 4.47Å; M124-L211 HydrophobicContact SD-CD1 3.88Å; L125-L211 HydrophobicContact CD2-CD2 3.73Å; L125-L211 HydrophobicContact CG-CD2 3.91Å; L128-L211 HydrophobicContact CD1-CB 3.99Å; L128-L211 HydrophobicContact CD1-CD2 3.65Å; L128-L211 HydrophobicContact CD1-CG 4.42Å; L128-L211 HydrophobicContact CG-CD2 4.5Å; I141-L211 HydrophobicContact CG2-CB 4.11Å; D207-L211 PolarHBondContact O-N 3.36Å; M208-L211 WeakPolarHBondContact O-CB 3.3Å; M208-L211 PolarHBondContact O-N 3.45Å; E209-L211 VanDerWaalsContact C-N 3.34Å; E209-L211 PolarHBondContact O-N 3.49Å; L211-Y213 VanDerWaalsContact C-N 3.3Å; L211-Y213 PolarHBondContact O-N 3.19Å; L211-V214 WeakPolarHBondContact O-CB 3.42Å; L211-V214 PolarHBondContact O-N 2.9Å; L211-L215 HydrophobicContact CD1-CD2 4.35Å; L211-L215 HydrophobicContact CD1-CG 4.23Å; L211-L215 HydrophobicContact CG-CD1 4.4Å; L211-L215 HydrophobicContact CG-CG 4.39Å; L211-L215 WeakPolarHBondContact O-CG 3.46Å; L211-L215 PolarHBondContact O-N 2.7Å
212G98.8Very high98.7Very high2 Ų210.3 Ų10.32%0.0216%0.056CC..Hα-helixtrans-56.8-43.2174.700000112.7M208 E209 S210 L215 M216 Y263M208-G212 PolarHBondContact O-N 2.93Å; E209-G212 WeakPolarHBondContact O-CA 3.4Å; E209-G212 PolarHBondContact O-N 2.97Å; E209-G212 VanDerWaalsContact O-N 3.08Å; S210-G212 VanDerWaalsContact C-N 3.31Å; S210-G212 PolarHBondContact O-N 3.36Å; G212-L215 PolarHBondContact O-N 2.79Å; G212-M216 WeakPolarHBondContact O-CG 3.26Å; G212-M216 PolarHBondContact O-N 2.98Å; G212-Y263 VanDerWaalsContact CA-CE1 3.41Å
213Y98.8Very high98.7Very high0 Ų010 Ų100%06%0.055CC..Hα-helixtrans-65.7-36.4174.1-60.9-41000113Y191 E209 S210 L211 M216 Y217 W225 L252 L264 R268Y191-Y213 WeakPolarHBondContact O-CD2 3.35Å; E209-Y213 HydrophobicContact CG-CD2 4.46Å; E209-Y213 HydrophobicContact CG-CE2 3.7Å; E209-Y213 WeakPolarHBondContact O-CD2 3.37Å; E209-Y213 PolarHBondContact O-N 3.09Å; E209-Y213 VanDerWaalsContact O-N 3.12Å; E209-Y213 WeakPolarHBondContact OE1-CE2 3.3Å; E209-Y213 VanDerWaalsContact OE1-CZ 3.29Å; E209-Y213 PolarHBondContact OE1-OH 2.88Å; S210-Y213 PolarHBondContact O-N 3.06Å; L211-Y213 VanDerWaalsContact C-N 3.3Å; L211-Y213 PolarHBondContact O-N 3.19Å; Y213-M216 PolarHBondContact O-N 2.85Å; Y213-Y217 VanDerWaalsContact O-CB 3.25Å; Y213-Y217 WeakPolarHBondContact O-CB 3Å; Y213-Y217 PolarHBondContact O-N 2.77Å; Y213-W225 AromaticContact CD1-CH2 3.58Å; Y213-W225 HydrophobicContact CD1-CH2 3.58Å; Y213-W225 AromaticContact CD1-CZ2 3.75Å; Y213-W225 HydrophobicContact CD1-CZ2 3.75Å; Y213-W225 HydrophobicContact CD2-CZ2 4.49Å; Y213-W225 AromaticContact CE1-CH2 3.67Å; Y213-W225 HydrophobicContact CE1-CH2 3.67Å; Y213-W225 HydrophobicContact CE1-CZ2 4.14Å; Y213-W225 HydrophobicContact CG-CH2 4.26Å; Y213-W225 AromaticContact CG-CZ2 3.95Å; Y213-W225 HydrophobicContact CG-CZ2 3.95Å; Y213-L252 HydrophobicContact CD1-CD2 4.06Å; Y213-L252 HydrophobicContact CE1-CD2 4.09Å; Y213-L264 HydrophobicContact CD1-CD2 4.14Å; Y213-L264 HydrophobicContact CE1-CD2 4.01Å; Y213-R268 PolarHBondContact OH-NH2 3.36Å
214V98.9Very high98.6Very high0 Ų012 Ų120%07%0.067CC..Hα-helixtrans-63.3-44.1173.8170.40000111.5M124 I141 P143 Y191 S210 L211 Y217 F218M124-V214 HydrophobicContact CE-CG1 3.88Å; I141-V214 HydrophobicContact CG2-CG2 4.33Å; P143-V214 HydrophobicContact CG-CG1 4.02Å; Y191-V214 HydrophobicContact CD1-CG2 3.59Å; Y191-V214 HydrophobicContact CE1-CG2 4.04Å; Y191-V214 HydrophobicContact CG-CG2 3.94Å; S210-V214 WeakPolarHBondContact O-CG2 3.41Å; S210-V214 PolarHBondContact O-N 2.83Å; L211-V214 WeakPolarHBondContact O-CB 3.42Å; L211-V214 PolarHBondContact O-N 2.9Å; V214-Y217 WeakPolarHBondContact O-CB 3.23Å; V214-Y217 PolarHBondContact O-N 2.87Å; V214-F218 HydrophobicContact CG1-CD2 4.01Å; V214-F218 HydrophobicContact CG1-CE2 3.38Å; V214-F218 HydrophobicContact CG1-CZ 3.68Å; V214-F218 WeakPolarHBondContact O-CD2 3.4Å; V214-F218 WeakPolarHBondContact O-CG 3.48Å; V214-F218 PolarHBondContact O-N 3.27Å
215L98.9Very high98.6Very high1 Ų111.8 Ų11.81%0.0057%0.066CC..Hα-helixtrans-63.7-44.1177.5-63178.8000111.6V117 A121 M124 L211 G212 Y217 F218 L219 F260 F285V117-L215 HydrophobicContact CG1-CB 4.41Å; V117-L215 HydrophobicContact CG1-CD2 4.1Å; A121-L215 HydrophobicContact CB-CD1 3.85Å; A121-L215 HydrophobicContact CB-CD2 3.79Å; A121-L215 HydrophobicContact CB-CG 4.5Å; M124-L215 HydrophobicContact SD-CD2 4.42Å; L211-L215 HydrophobicContact CD1-CD2 4.35Å; L211-L215 HydrophobicContact CD1-CG 4.23Å; L211-L215 HydrophobicContact CG-CD1 4.4Å; L211-L215 HydrophobicContact CG-CG 4.39Å; L211-L215 WeakPolarHBondContact O-CG 3.46Å; L211-L215 PolarHBondContact O-N 2.7Å; G212-L215 PolarHBondContact O-N 2.79Å; L215-Y217 VanDerWaalsContact C-N 3.32Å; L215-Y217 PolarHBondContact O-N 2.8Å; L215-F218 PolarHBondContact O-N 2.95Å; L215-L219 PolarHBondContact O-N 2.85Å; L215-F260 HydrophobicContact CB-CD1 4.45Å; L215-F260 HydrophobicContact CB-CE1 4.18Å; L215-F285 HydrophobicContact CD1-CE2 3.93Å; L215-F285 HydrophobicContact CD1-CZ 3.96Å
216M98.8Very high98.5Very high0 Ų013 Ų130%07%0.073CC..Hα-helixtrans-65-36.1175.3-69.7-50.9-56.900112.4G212 Y213 L219 R220 L223 L252 C253 Y256 F260 L264G212-M216 WeakPolarHBondContact O-CG 3.26Å; G212-M216 PolarHBondContact O-N 2.98Å; Y213-M216 PolarHBondContact O-N 2.85Å; M216-L219 PolarHBondContact O-N 3.43Å; M216-L219 HydrophobicContact SD-CD1 4.35Å; M216-R220 HydrophobicContact CE-CG 4.14Å; M216-R220 VanDerWaalsContact O-CB 3.22Å; M216-R220 WeakPolarHBondContact O-CB 3.35Å; M216-R220 WeakPolarHBondContact O-CG 3.43Å; M216-R220 PolarHBondContact O-N 3.1Å; M216-L223 HydrophobicContact CB-CD2 4.16Å; M216-L252 VanDerWaalsContact CE-O 3.31Å; M216-L252 WeakPolarHBondContact CE-O 3.32Å; M216-L252 HydrophobicContact CG-CD2 4.34Å; M216-L252 HydrophobicContact CG-CG 4.33Å; M216-C253 HydrophobicContact CE-CB 4.49Å; M216-Y256 HydrophobicContact CE-CD2 3.77Å; M216-Y256 HydrophobicContact CE-CE2 4.17Å; M216-Y256 HydrophobicContact CE-CG 4.33Å; M216-F260 HydrophobicContact SD-CB 3.76Å; M216-F260 HydrophobicContact SD-CD1 3.9Å; M216-F260 HydrophobicContact SD-CG 3.98Å; M216-L264 HydrophobicContact CG-CD1 3.99Å
217Y98.8Very high98.2Very high1 Ų115.9 Ų15.90%0.00410%0.103CC..Hα-helixtrans-59.9-46.5174169.2-106.2000111.7E102 F105 R110 P143 Y191 Y213 V214 L215 L219 R220 G221 L223E102-Y217 PolarHBondContact OE1-OH 2.82Å; E102-Y217 VanDerWaalsContact OE2-CE1 3.28Å; E102-Y217 WeakPolarHBondContact OE2-CE1 3.35Å; E102-Y217 PolarHBondContact OE2-OH 2.9Å; E102-Y217 VanDerWaalsContact OE2-OH 3.08Å; F105-Y217 AromaticContact CD1-CE1 3.72Å; F105-Y217 HydrophobicContact CD1-CE1 3.72Å; F105-Y217 AromaticContact CD1-CZ 3.89Å; F105-Y217 HydrophobicContact CE1-CD1 4.21Å; F105-Y217 AromaticContact CE1-CE1 3.53Å; F105-Y217 HydrophobicContact CE1-CE1 3.53Å; F105-Y217 HydrophobicContact CE1-CE2 4.12Å; F105-Y217 AromaticContact CE1-CZ 3.49Å; F105-Y217 VanDerWaalsContact CE1-CZ 3.49Å; F105-Y217 HydrophobicContact CZ-CE1 4.27Å; R110-Y217 PolarHBondContact NH1-OH 3.01Å; R110-Y217 PolarHBondContact NH2-OH 2.64Å; P143-Y217 HydrophobicContact CG-CD1 3.98Å; P143-Y217 HydrophobicContact CG-CE1 3.91Å; Y191-Y217 HydrophobicContact CE1-CD1 4.19Å; Y191-Y217 HydrophobicContact CE1-CG 4.06Å; Y213-Y217 VanDerWaalsContact O-CB 3.25Å; Y213-Y217 WeakPolarHBondContact O-CB 3Å; Y213-Y217 PolarHBondContact O-N 2.77Å; V214-Y217 WeakPolarHBondContact O-CB 3.23Å; V214-Y217 PolarHBondContact O-N 2.87Å; L215-Y217 VanDerWaalsContact C-N 3.32Å; L215-Y217 PolarHBondContact O-N 2.8Å; Y217-L219 VanDerWaalsContact C-N 3.33Å; Y217-L219 PolarHBondContact O-N 2.96Å; Y217-R220 PolarHBondContact O-N 3.34Å; Y217-G221 PolarHBondContact O-N 3.27Å; Y217-L223 HydrophobicContact CD2-CG 4.32Å
218F98.8Very high98Very high0 Ų018.3 Ų18.30%012%0.116CC..Hα-helixtrans-61.8-38.5177.7-67.5-39000113.5L101 F105 F112 V117 M124 P143 V214 L215L101-F218 HydrophobicContact CB-CE1 4.34Å; L101-F218 HydrophobicContact CB-CZ 3.8Å; L101-F218 HydrophobicContact CD1-CE2 4.15Å; L101-F218 HydrophobicContact CD1-CZ 3.97Å; F105-F218 HydrophobicContact CB-CD1 4.47Å; F105-F218 HydrophobicContact CB-CE1 4.36Å; F105-F218 AromaticContact CD2-CD1 3.77Å; F105-F218 HydrophobicContact CD2-CD1 3.77Å; F105-F218 HydrophobicContact CD2-CE1 4.46Å; F105-F218 HydrophobicContact CE2-CB 4.32Å; F105-F218 AromaticContact CE2-CD1 3.98Å; F105-F218 HydrophobicContact CE2-CD1 3.98Å; F105-F218 WeakPolarHBondContact CE2-O 3.18Å; F105-F218 HydrophobicContact CG-CD1 4.06Å; F105-F218 HydrophobicContact CG-CE1 4.37Å; F105-F218 HydrophobicContact CZ-CD1 4.42Å; F112-F218 HydrophobicContact CB-CB 4.45Å; F112-F218 HydrophobicContact CD2-CB 3.83Å; F112-F218 AromaticContact CD2-CD1 3.77Å; F112-F218 HydrophobicContact CD2-CD1 3.77Å; F112-F218 HydrophobicContact CD2-CD2 4.29Å; F112-F218 HydrophobicContact CD2-CE1 4.38Å; F112-F218 AromaticContact CD2-CG 3.73Å; F112-F218 HydrophobicContact CD2-CG 3.73Å; F112-F218 AromaticContact CE2-CD1 3.72Å; F112-F218 HydrophobicContact CE2-CD1 3.72Å; F112-F218 AromaticContact CE2-CE1 3.9Å; F112-F218 HydrophobicContact CE2-CE1 3.9Å; F112-F218 HydrophobicContact CE2-CG 4.08Å; F112-F218 HydrophobicContact CE2-CZ 4.37Å; F112-F218 PolarHBondContact N-O 3.39Å; F112-F218 VanDerWaalsContact N-O 3.11Å; V117-F218 HydrophobicContact CG2-CB 3.79Å; M124-F218 HydrophobicContact SD-CE2 4.49Å; P143-F218 HydrophobicContact CB-CE1 3.83Å; P143-F218 HydrophobicContact CB-CZ 3.78Å; P143-F218 HydrophobicContact CG-CE1 3.76Å; P143-F218 HydrophobicContact CG-CZ 3.8Å; V214-F218 HydrophobicContact CG1-CD2 4.01Å; V214-F218 HydrophobicContact CG1-CE2 3.38Å; V214-F218 HydrophobicContact CG1-CZ 3.68Å; V214-F218 WeakPolarHBondContact O-CD2 3.4Å; V214-F218 WeakPolarHBondContact O-CG 3.48Å; V214-F218 PolarHBondContact O-N 3.27Å; L215-F218 PolarHBondContact O-N 2.95Å
219L98.6Very high97.7Very high4 Ų425.5 Ų25.52%0.02115%0.15CC..Hα-helixtrans-74-35.1179.3-74.5175.3000113.5M114 V117 L215 M216 Y217 Y256 F260M114-L219 HydrophobicContact CE-CD1 4.11Å; M114-L219 HydrophobicContact CE-CD2 3.67Å; M114-L219 HydrophobicContact SD-CD2 4.12Å; V117-L219 HydrophobicContact CB-CD2 4.02Å; V117-L219 HydrophobicContact CB-CG 4.33Å; V117-L219 HydrophobicContact CG1-CD1 4.35Å; V117-L219 HydrophobicContact CG1-CD2 4.21Å; V117-L219 HydrophobicContact CG1-CG 4.02Å; V117-L219 HydrophobicContact CG2-CD2 3.74Å; V117-L219 HydrophobicContact CG2-CG 4.01Å; L215-L219 PolarHBondContact O-N 2.85Å; M216-L219 PolarHBondContact O-N 3.43Å; M216-L219 HydrophobicContact SD-CD1 4.35Å; Y217-L219 VanDerWaalsContact C-N 3.33Å; Y217-L219 PolarHBondContact O-N 2.96Å; L219-Y256 HydrophobicContact CB-CD1 4.02Å; L219-Y256 HydrophobicContact CB-CE1 3.59Å; L219-Y256 HydrophobicContact CD1-CD1 3.89Å; L219-Y256 HydrophobicContact CD1-CE1 4.33Å; L219-Y256 HydrophobicContact CD1-CG 4.32Å; L219-Y256 HydrophobicContact CD2-CD1 4.35Å; L219-Y256 HydrophobicContact CD2-CE1 4.33Å; L219-Y256 HydrophobicContact CG-CD1 4.33Å; L219-Y256 HydrophobicContact CG-CE1 4.31Å; L219-Y256 PolarHBondContact O-OH 3.26Å; L219-F260 HydrophobicContact CD1-CD1 3.93Å; L219-F260 HydrophobicContact CD1-CD2 4.14Å; L219-F260 HydrophobicContact CD1-CE1 3.52Å; L219-F260 HydrophobicContact CD1-CE2 3.77Å; L219-F260 HydrophobicContact CD1-CG 4.24Å; L219-F260 HydrophobicContact CD1-CZ 3.46Å; L219-F260 VanDerWaalsContact CD1-CZ 3.46Å
220R98Very high97.4Very high81 Ų8127 Ų2731%0.30616%0.163SC..Hα-helixtrans-93.2-21.5-172.7-66.4176.365.683.113.1113.8M216 Y217 S222 L252 Y256M216-R220 HydrophobicContact CE-CG 4.14Å; M216-R220 VanDerWaalsContact O-CB 3.22Å; M216-R220 WeakPolarHBondContact O-CB 3.35Å; M216-R220 WeakPolarHBondContact O-CG 3.43Å; M216-R220 PolarHBondContact O-N 3.1Å; Y217-R220 PolarHBondContact O-N 3.34Å; R220-S222 WeakPolarHBondContact CB-O 3.39Å; R220-S222 PolarHBondContact O-N 3.24Å; R220-L252 PolarHBondContact NH1-O 3.41Å; R220-Y256 WeakPolarHBondContact CA-OH 3.39Å; R220-Y256 HydrophobicContact CG-CE2 3.62Å; R220-Y256 WeakPolarHBondContact CG-OH 3.48Å
221G98Very high97.2Very high16 Ų1630.2 Ų30.217%0.16520%0.196CC..SBendtrans82.5-28.5-16900000113.9R110 Y217R110-G221 PolarHBondContact NH2-O 3.21Å; R110-G221 WeakPolarHBondContact O-CA 3.48Å; Y217-G221 PolarHBondContact O-N 3.27Å
222S97.8Very high96.9Very high61 Ų6133.8 Ų33.843%0.42722%0.216SC..SBendtrans-155.2158.617661.80000112.2R220R220-S222 WeakPolarHBondContact CB-O 3.39Å; R220-S222 PolarHBondContact O-N 3.24Å
223L98.3Very high96.5Very high4 Ų440 Ų402%0.02124%0.242CC..  trans-99148.2172-67.8165.3000110.5R190 Y191 M216 Y217 W225 Q226 L252R190-L223 HydrophobicContact CG-CD1 4.12Å; Y191-L223 HydrophobicContact CD1-CD1 4.15Å; Y191-L223 HydrophobicContact CE1-CD1 4.1Å; M216-L223 HydrophobicContact CB-CD2 4.16Å; Y217-L223 HydrophobicContact CD2-CG 4.32Å; L223-W225 HydrophobicContact CB-CD2 4.12Å; L223-W225 HydrophobicContact CB-CZ2 3.94Å; L223-W225 HydrophobicContact CD1-CZ2 3.69Å; L223-W225 HydrophobicContact CD2-CH2 4.11Å; L223-W225 HydrophobicContact CD2-CZ2 3.84Å; L223-W225 HydrophobicContact CG-CZ2 4.03Å; L223-W225 PolarHBondContact O-N 3.46Å; L223-Q226 HydrophobicContact CB-CG 4.26Å; L223-Q226 WeakPolarHBondContact O-CB 3.47Å; L223-Q226 PolarHBondContact O-N 2.93Å; L223-L252 HydrophobicContact CD2-CD1 4.19Å
224P98Very high96.2Very high42 Ų4244.2 Ų44.227%0.27327%0.269SS..THydrogen-bonded Turntrans-60.2-14.1-175.6-26.135.9000116.3K243 T247 L252P224-K243 WeakPolarHBondContact O-CE 3.44Å; P224-T247 HydrophobicContact CG-CG2 4.32Å; P224-L252 HydrophobicContact CG-CD1 3.91Å
225W98.1Very high96Very high4 Ų447.9 Ų47.92%0.01529%0.286CS..THydrogen-bonded Turntrans-106.215.2179.452.480000113.1R190 Y213 L223 L228 I240 K243 K244 L252R190-W225 PolarHBondContact O-NE1 2.99Å; Y213-W225 AromaticContact CD1-CH2 3.58Å; Y213-W225 HydrophobicContact CD1-CH2 3.58Å; Y213-W225 AromaticContact CD1-CZ2 3.75Å; Y213-W225 HydrophobicContact CD1-CZ2 3.75Å; Y213-W225 HydrophobicContact CD2-CZ2 4.49Å; Y213-W225 AromaticContact CE1-CH2 3.67Å; Y213-W225 HydrophobicContact CE1-CH2 3.67Å; Y213-W225 HydrophobicContact CE1-CZ2 4.14Å; Y213-W225 HydrophobicContact CG-CH2 4.26Å; Y213-W225 AromaticContact CG-CZ2 3.95Å; Y213-W225 HydrophobicContact CG-CZ2 3.95Å; L223-W225 HydrophobicContact CB-CD2 4.12Å; L223-W225 HydrophobicContact CB-CZ2 3.94Å; L223-W225 HydrophobicContact CD1-CZ2 3.69Å; L223-W225 HydrophobicContact CD2-CH2 4.11Å; L223-W225 HydrophobicContact CD2-CZ2 3.84Å; L223-W225 HydrophobicContact CG-CZ2 4.03Å; L223-W225 PolarHBondContact O-N 3.46Å; W225-L228 HydrophobicContact CB-CD1 4.21Å; W225-I240 HydrophobicContact CB-CG2 4.28Å; W225-I240 HydrophobicContact CG-CG2 4.19Å; W225-K243 HydrophobicContact CB-CB 3.92Å; W225-K243 HydrophobicContact CB-CG 3.77Å; W225-K244 HydrophobicContact CD2-CD 4.28Å; W225-K244 HydrophobicContact CD2-CG 3.44Å; W225-K244 VanDerWaalsContact CD2-CG 3.44Å; W225-K244 HydrophobicContact CE3-CB 4.37Å; W225-K244 HydrophobicContact CE3-CG 3.52Å; W225-K244 HydrophobicContact CG-CG 3.91Å; W225-K244 HydrophobicContact CH2-CG 4.12Å; W225-K244 HydrophobicContact CZ2-CD 4.37Å; W225-K244 VanDerWaalsContact CZ2-CE 3.49Å; W225-K244 HydrophobicContact CZ2-CG 4.06Å; W225-K244 HydrophobicContact CZ3-CG 3.87Å; W225-L252 HydrophobicContact CH2-CD1 4.34Å; W225-L252 HydrophobicContact CH2-CD2 3.93Å; W225-L252 HydrophobicContact CZ3-CD1 4.34Å; W225-L252 HydrophobicContact CZ3-CD2 4.34Å
226Q96.7Very high95.8Very high47 Ų4750.2 Ų50.222%0.2230%0.296CS..SBendtrans-83155.4169.8-71.9-175.1-108.900111.7R190 L223 L228R190-Q226 HydrophobicContact CG-CG 4.09Å; L223-Q226 HydrophobicContact CB-CG 4.26Å; L223-Q226 WeakPolarHBondContact O-CB 3.47Å; L223-Q226 PolarHBondContact O-N 2.93Å; Q226-L228 PolarHBondContact O-N 3.23Å
227G93.6Very high95.5Very high62 Ų6252.8 Ų52.864%0.63931%0.307SS*.SBendtrans70.58.4174.200000115.6Q229G227-Q229 PolarHBondContact O-N 2.87Å
228L94.4Very high95.3Very high50 Ų5058 Ų5826%0.26233%0.331SS..  trans-65.4122.4177.1-58.1179.4000110W225 Q226 R239 I240 K243W225-L228 HydrophobicContact CB-CD1 4.21Å; Q226-L228 PolarHBondContact O-N 3.23Å; L228-R239 HydrophobicContact CD1-CB 4.13Å; L228-R239 WeakPolarHBondContact CD1-O 3.46Å; L228-I240 HydrophobicContact CD1-CG1 4.19Å; L228-K243 HydrophobicContact CD1-CB 3.98Å; L228-K243 HydrophobicContact CD1-CG 4.37Å
229Q92.7Very high95.2Very high152 Ų15263.6 Ų63.671%0.7135%0.352SS*.  trans-70.4148.5174.2-59.7-58.1-37.800109.8G227 R239G227-Q229 PolarHBondContact O-N 2.87Å; Q229-R239 WeakPolarHBondContact O-CD 3.45Å; Q229-R239 PolarHBondContact O-NH1 3.12Å
230A92Very high95.2Very high35 Ų3564 Ų6429%0.28935%0.354SS..  trans-161.1151.9172.800000109.8N232 Q235 K236A230-N232 VanDerWaalsContact C-N 3.34Å; A230-Q235 HydrophobicContact CB-CB 4.01Å; A230-K236 VanDerWaalsContact CB-CA 3.47Å; A230-K236 HydrophobicContact CB-CB 3.71Å; A230-K236 HydrophobicContact CB-CG 4.35Å
231G93.5Very high95.2Very high72 Ų7262.9 Ų62.974%0.74235%0.352SS*.SBendtrans-74.5-24.6-178.200000113.7
232N94Very high95.1Very high76 Ų7667.5 Ų67.541%0.40637%0.37SS..SBendtrans-150.5171.7176.860.553.1000111.4A230 P234 Q235 K236A230-N232 VanDerWaalsContact C-N 3.34Å; N232-P234 VanDerWaalsContact OD1-CD 3.28Å; N232-P234 WeakPolarHBondContact OD1-CD 3.35Å; N232-Q235 PolarHBondContact ND2-NE2 3.2Å; N232-Q235 PolarHBondContact O-N 3.35Å; N232-Q235 WeakPolarHBondContact OD1-CB 3.44Å; N232-Q235 VanDerWaalsContact OD1-CG 3.27Å; N232-Q235 WeakPolarHBondContact OD1-CG 3.45Å; N232-Q235 PolarHBondContact OD1-N 2.87Å; N232-K236 PolarHBondContact O-N 2.88Å
233K90.4Very high95.2Very high131 Ų13168.7 Ų68.757%0.5737%0.367SS*.Hα-helixtrans-63.1-45.3-176.5-177.1179.8-176179.40113.7Q235 K236 Y237K233-Q235 PolarHBondContact O-N 3.28Å; K233-K236 WeakPolarHBondContact O-CB 3.38Å; K233-K236 PolarHBondContact O-N 3.21Å; K233-Y237 HydrophobicContact CD-CE2 4.36Å; K233-Y237 WeakPolarHBondContact CE-OH 3.45Å; K233-Y237 HydrophobicContact CG-CD2 4.43Å; K233-Y237 HydrophobicContact CG-CE1 4.1Å; K233-Y237 HydrophobicContact CG-CE2 3.89Å; K233-Y237 PolarHBondContact O-N 3.46Å
234P91.9Very high95.1Very high90 Ų9068.5 Ų68.558%0.58437%0.366SS*.Hα-helixtrans-55.1-48.7172.6-28.635.3000113.6N232 K236 Y237 E238N232-P234 VanDerWaalsContact OD1-CD 3.28Å; N232-P234 WeakPolarHBondContact OD1-CD 3.35Å; P234-K236 VanDerWaalsContact C-N 3.28Å; P234-K236 PolarHBondContact O-N 2.97Å; P234-Y237 WeakPolarHBondContact O-CB 3.46Å; P234-Y237 PolarHBondContact O-N 2.67Å; P234-Y237 VanDerWaalsContact O-N 3.09Å; P234-E238 PolarHBondContact O-N 2.96Å
235Q94.3Very high95.1Very high76 Ų7669.4 Ų69.436%0.35538%0.377SS..Hα-helixtrans-61.9-36.2176.7-73.1173.2-0.200112.1A230 N232 K233 Y237 E238 R239A230-Q235 HydrophobicContact CB-CB 4.01Å; N232-Q235 PolarHBondContact ND2-NE2 3.2Å; N232-Q235 PolarHBondContact O-N 3.35Å; N232-Q235 WeakPolarHBondContact OD1-CB 3.44Å; N232-Q235 VanDerWaalsContact OD1-CG 3.27Å; N232-Q235 WeakPolarHBondContact OD1-CG 3.45Å; N232-Q235 PolarHBondContact OD1-N 2.87Å; K233-Q235 PolarHBondContact O-N 3.28Å; Q235-Y237 VanDerWaalsContact C-N 3.3Å; Q235-Y237 PolarHBondContact O-N 3.29Å; Q235-E238 PolarHBondContact O-N 2.87Å; Q235-R239 WeakPolarHBondContact O-CG 3.36Å; Q235-R239 PolarHBondContact O-N 3.04Å
236K94.6Very high95.1Very high50 Ų5073 Ų7322%0.21740%0.403CS..Hα-helixtrans-61.1-42.4174.8-168175.4179.1177.70111A230 N232 K233 P234 I240 E378A230-K236 VanDerWaalsContact CB-CA 3.47Å; A230-K236 HydrophobicContact CB-CB 3.71Å; A230-K236 HydrophobicContact CB-CG 4.35Å; N232-K236 PolarHBondContact O-N 2.88Å; K233-K236 WeakPolarHBondContact O-CB 3.38Å; K233-K236 PolarHBondContact O-N 3.21Å; P234-K236 VanDerWaalsContact C-N 3.28Å; P234-K236 PolarHBondContact O-N 2.97Å; K236-I240 HydrophobicContact CG-CD1 4.23Å; K236-I240 VanDerWaalsContact O-CG1 3.24Å; K236-I240 WeakPolarHBondContact O-CG1 3.47Å; K236-I240 PolarHBondContact O-N 2.96Å; K236-E378 PolarHBondContact NZ-OXT 3.37Å
237Y93.8Very high95.2Very high54 Ų5471.2 Ų71.221%0.21240%0.395CS..Hα-helixtrans-68.5-41.6179.4-65.6-11.3000112L185 A189 K233 P234 Q235 I240 H241L185-Y237 HydrophobicContact CD2-CD1 4.36Å; L185-Y237 HydrophobicContact CD2-CD2 3.68Å; L185-Y237 HydrophobicContact CD2-CE2 3.99Å; L185-Y237 HydrophobicContact CD2-CG 3.85Å; A189-Y237 HydrophobicContact CB-CD1 3.58Å; A189-Y237 HydrophobicContact CB-CE1 3.55Å; A189-Y237 HydrophobicContact CB-CG 4.35Å; K233-Y237 HydrophobicContact CD-CE2 4.36Å; K233-Y237 WeakPolarHBondContact CE-OH 3.45Å; K233-Y237 HydrophobicContact CG-CD2 4.43Å; K233-Y237 HydrophobicContact CG-CE1 4.1Å; K233-Y237 HydrophobicContact CG-CE2 3.89Å; K233-Y237 PolarHBondContact O-N 3.46Å; P234-Y237 WeakPolarHBondContact O-CB 3.46Å; P234-Y237 PolarHBondContact O-N 2.67Å; P234-Y237 VanDerWaalsContact O-N 3.09Å; Q235-Y237 VanDerWaalsContact C-N 3.3Å; Q235-Y237 PolarHBondContact O-N 3.29Å; Y237-I240 PolarHBondContact O-N 3.38Å; Y237-H241 WeakPolarHBondContact O-CB 3.5Å; Y237-H241 PolarHBondContact O-N 3.5Å
238E94.7Very high95.3Very high112 Ų11271.3 Ų71.352%0.52338%0.384SS..Hα-helixtrans-59.2-49.1173.3-173.9171.6-140.600111.9P234 Q235 I240 H241 E242P234-E238 PolarHBondContact O-N 2.96Å; Q235-E238 PolarHBondContact O-N 2.87Å; E238-I240 VanDerWaalsContact C-N 3.32Å; E238-I240 PolarHBondContact O-N 2.97Å; E238-H241 WeakPolarHBondContact O-CA 3.27Å; E238-H241 VanDerWaalsContact O-CB 3.32Å; E238-H241 WeakPolarHBondContact O-CB 3.41Å; E238-H241 PolarHBondContact O-N 2.98Å; E238-E242 WeakPolarHBondContact O-CG 3.17Å; E238-E242 PolarHBondContact O-N 3.35Å
239R96.8Very high95.5Very high116 Ų11669.8 Ų69.844%0.43838%0.377SS..Hα-helixtrans-61-38.4176.4-71.8-178.3-175.2-159.7-3.8113L228 Q229 Q235 K243L228-R239 HydrophobicContact CD1-CB 4.13Å; L228-R239 WeakPolarHBondContact CD1-O 3.46Å; Q229-R239 WeakPolarHBondContact O-CD 3.45Å; Q229-R239 PolarHBondContact O-NH1 3.12Å; Q235-R239 WeakPolarHBondContact O-CG 3.36Å; Q235-R239 PolarHBondContact O-N 3.04Å; R239-K243 VanDerWaalsContact O-CB 3.28Å; R239-K243 WeakPolarHBondContact O-CB 3.45Å; R239-K243 PolarHBondContact O-N 3.09Å
240I97.5Very high95.8Very high13 Ų1366.5 Ų66.57%0.06736%0.364CS..Hα-helixtrans-64.3-43.8173.9-70166.7000110.1A189 W225 L228 K236 Y237 E238 K243 K244A189-I240 HydrophobicContact CB-CD1 4.06Å; W225-I240 HydrophobicContact CB-CG2 4.28Å; W225-I240 HydrophobicContact CG-CG2 4.19Å; L228-I240 HydrophobicContact CD1-CG1 4.19Å; K236-I240 HydrophobicContact CG-CD1 4.23Å; K236-I240 VanDerWaalsContact O-CG1 3.24Å; K236-I240 WeakPolarHBondContact O-CG1 3.47Å; K236-I240 PolarHBondContact O-N 2.96Å; Y237-I240 PolarHBondContact O-N 3.38Å; E238-I240 VanDerWaalsContact C-N 3.32Å; E238-I240 PolarHBondContact O-N 2.97Å; I240-K243 PolarHBondContact O-N 3.45Å; I240-K244 HydrophobicContact CG2-CD 4.11Å; I240-K244 HydrophobicContact CG2-CG 4.45Å; I240-K244 WeakPolarHBondContact O-CB 3.36Å; I240-K244 WeakPolarHBondContact O-CG 3.48Å; I240-K244 PolarHBondContact O-N 3.44Å
241H97.1Very high96Very high57 Ų5767.7 Ų67.726%0.26437%0.367SS..Hα-helixtrans-59.9-53.2177.9-179.5-161.2000111.3H197 Y237 E238 K243 K244 A245H197-H241 HydrophobicContact CB-CB 3.83Å; H197-H241 VanDerWaalsContact CB-CD2 3.49Å; H197-H241 WeakPolarHBondContact CB-CD2 3.37Å; H197-H241 VanDerWaalsContact CB-CG 3.49Å; Y237-H241 WeakPolarHBondContact O-CB 3.5Å; Y237-H241 PolarHBondContact O-N 3.5Å; E238-H241 WeakPolarHBondContact O-CA 3.27Å; E238-H241 VanDerWaalsContact O-CB 3.32Å; E238-H241 WeakPolarHBondContact O-CB 3.41Å; E238-H241 PolarHBondContact O-N 2.98Å; H241-K243 VanDerWaalsContact C-N 3.32Å; H241-K243 PolarHBondContact O-N 3.08Å; H241-K244 WeakPolarHBondContact O-CB 3.34Å; H241-K244 PolarHBondContact O-N 2.87Å; H241-K244 VanDerWaalsContact O-N 3.14Å; H241-A245 WeakPolarHBondContact O-CB 3.46Å; H241-A245 PolarHBondContact O-N 2.87Å
242E97.5Very high96.3Very high114 Ų11464.3 Ų64.353%0.53333%0.332SS..Hα-helixtrans-55.6-47.7177.6-70.6174166.300111.1E238 K244 A245 S246E238-E242 WeakPolarHBondContact O-CG 3.17Å; E238-E242 PolarHBondContact O-N 3.35Å; E242-K244 VanDerWaalsContact C-N 3.33Å; E242-K244 PolarHBondContact O-N 3.33Å; E242-A245 PolarHBondContact O-N 3.16Å; E242-S246 VanDerWaalsContact O-CB 3.3Å; E242-S246 WeakPolarHBondContact O-CB 3.31Å; E242-S246 PolarHBondContact O-N 3.28Å; E242-S246 PolarHBondContact O-OG 3.47Å
243K98.2Very high96.5Very high86 Ų8661 Ų6137%0.37432%0.315SS..Hα-helixtrans-65.2-35.7179.9-172.659.6175.3-178.40112.5P224 W225 L228 R239 I240 H241 S246 T247P224-K243 WeakPolarHBondContact O-CE 3.44Å; W225-K243 HydrophobicContact CB-CB 3.92Å; W225-K243 HydrophobicContact CB-CG 3.77Å; L228-K243 HydrophobicContact CD1-CB 3.98Å; L228-K243 HydrophobicContact CD1-CG 4.37Å; R239-K243 VanDerWaalsContact O-CB 3.28Å; R239-K243 WeakPolarHBondContact O-CB 3.45Å; R239-K243 PolarHBondContact O-N 3.09Å; I240-K243 PolarHBondContact O-N 3.45Å; H241-K243 VanDerWaalsContact C-N 3.32Å; H241-K243 PolarHBondContact O-N 3.08Å; K243-S246 PolarHBondContact O-OG 3.4Å; K243-T247 WeakPolarHBondContact O-CB 3.37Å; K243-T247 PolarHBondContact O-N 3.47Å; K243-T247 PolarHBondContact O-OG1 3.02Å
244K98.1Very high96.8Very high0 Ų062.9 Ų62.90%032%0.318CS..Hα-helixtrans-66.1-46.2173.6-79.3179171.2-173.10111.6A189 R190 A192 L194 W225 I240 H241 E242 S246 T247A189-K244 PolarHBondContact O-NZ 3.05Å; R190-K244 WeakPolarHBondContact O-CE 3.25Å; R190-K244 PolarHBondContact O-NZ 3.17Å; A192-K244 PolarHBondContact O-NZ 3.4Å; L194-K244 HydrophobicContact CD2-CB 3.59Å; W225-K244 HydrophobicContact CD2-CD 4.28Å; W225-K244 HydrophobicContact CD2-CG 3.44Å; W225-K244 VanDerWaalsContact CD2-CG 3.44Å; W225-K244 HydrophobicContact CE3-CB 4.37Å; W225-K244 HydrophobicContact CE3-CG 3.52Å; W225-K244 HydrophobicContact CG-CG 3.91Å; W225-K244 HydrophobicContact CH2-CG 4.12Å; W225-K244 HydrophobicContact CZ2-CD 4.37Å; W225-K244 VanDerWaalsContact CZ2-CE 3.49Å; W225-K244 HydrophobicContact CZ2-CG 4.06Å; W225-K244 HydrophobicContact CZ3-CG 3.87Å; I240-K244 HydrophobicContact CG2-CD 4.11Å; I240-K244 HydrophobicContact CG2-CG 4.45Å; I240-K244 WeakPolarHBondContact O-CB 3.36Å; I240-K244 WeakPolarHBondContact O-CG 3.48Å; I240-K244 PolarHBondContact O-N 3.44Å; H241-K244 WeakPolarHBondContact O-CB 3.34Å; H241-K244 PolarHBondContact O-N 2.87Å; H241-K244 VanDerWaalsContact O-N 3.14Å; E242-K244 VanDerWaalsContact C-N 3.33Å; E242-K244 PolarHBondContact O-N 3.33Å; K244-S246 VanDerWaalsContact C-N 3.31Å; K244-S246 PolarHBondContact O-N 2.92Å; K244-T247 PolarHBondContact O-N 3.07Å
245A97.4Very high97.1Very high60 Ų6062.4 Ų62.450%0.49633%0.33SS..Hα-helixtrans-64.6-38.918000000111.2L194 H241 E242 T247L194-A245 HydrophobicContact CD2-CB 4.19Å; H241-A245 WeakPolarHBondContact O-CB 3.46Å; H241-A245 PolarHBondContact O-N 2.87Å; E242-A245 PolarHBondContact O-N 3.16Å; A245-T247 VanDerWaalsContact C-N 3.28Å; A245-T247 PolarHBondContact O-N 3.43Å
246S97.9Very high97.3Very high79 Ų7961.2 Ų61.255%0.55232%0.323SS*.THydrogen-bonded Turntrans-80.9-0178.3880000114.2E242 K243 K244 P248E242-S246 VanDerWaalsContact O-CB 3.3Å; E242-S246 WeakPolarHBondContact O-CB 3.31Å; E242-S246 PolarHBondContact O-N 3.28Å; E242-S246 PolarHBondContact O-OG 3.47Å; K243-S246 PolarHBondContact O-OG 3.4Å; K244-S246 VanDerWaalsContact C-N 3.31Å; K244-S246 PolarHBondContact O-N 2.92Å; S246-P248 VanDerWaalsContact O-CD 3.31Å; S246-P248 WeakPolarHBondContact O-CD 3.47Å
247T98.2Very high97.5Very high10 Ų1060.5 Ų60.56%0.06132%0.323CS..SBendtrans-107.299.8177.3-58.30000108.9P224 K243 K244 A245 V251 L252P224-T247 HydrophobicContact CG-CG2 4.32Å; K243-T247 WeakPolarHBondContact O-CB 3.37Å; K243-T247 PolarHBondContact O-N 3.47Å; K243-T247 PolarHBondContact O-OG1 3.02Å; K244-T247 PolarHBondContact O-N 3.07Å; A245-T247 VanDerWaalsContact C-N 3.28Å; A245-T247 PolarHBondContact O-N 3.43Å; T247-V251 HydrophobicContact CG2-CG1 4.46Å; T247-L252 HydrophobicContact CG2-CB 4.18Å
248P97.4Very high97.7Very high64 Ų6461.6 Ų61.642%0.41634%0.339SS..  trans-55.6148.1174.2-27.736.9000112.4S246 D250 V251 L252S246-P248 VanDerWaalsContact O-CD 3.31Å; S246-P248 WeakPolarHBondContact O-CD 3.47Å; P248-D250 VanDerWaalsContact C-N 3.3Å; P248-D250 WeakPolarHBondContact CB-OD1 3.08Å; P248-D250 PolarHBondContact O-N 3.32Å; P248-V251 HydrophobicContact CB-CB 4.26Å; P248-V251 HydrophobicContact CB-CG2 3.94Å; P248-V251 HydrophobicContact CG-CG2 4.07Å; P248-V251 WeakPolarHBondContact O-CB 3.41Å; P248-V251 PolarHBondContact O-N 3.49Å; P248-V251 VanDerWaalsContact O-N 3.14Å; P248-L252 PolarHBondContact O-N 2.84Å
249I97.9Very high97.8Very high19 Ų1957.9 Ų57.910%0.09732%0.321CS..Hα-helixtrans-62.1-40.2-177.7-67.8166.7000110.9V251 L252 C253 L261 L264 R268I249-V251 VanDerWaalsContact C-N 3.29Å; I249-V251 PolarHBondContact O-N 2.99Å; I249-L252 PolarHBondContact O-N 2.98Å; I249-C253 WeakPolarHBondContact O-CB 3.47Å; I249-C253 PolarHBondContact O-N 3.47Å; I249-C253 PolarHBondContact O-SG 2.58Å; I249-C253 VanDerWaalsContact O-SG 3.4Å; I249-L261 HydrophobicContact CG2-CG 4.21Å; I249-L264 HydrophobicContact CD1-CB 4.11Å; I249-L264 HydrophobicContact CG1-CB 4.28Å; I249-L264 HydrophobicContact CG2-CB 3.62Å; I249-L264 HydrophobicContact CG2-CD1 4.13Å; I249-R268 HydrophobicContact CD1-CB 4.46Å; I249-R268 HydrophobicContact CD1-CG 4.04Å
250D97.6Very high97.9Very high83 Ų8352.5 Ų52.544%0.44430%0.301SS..Hα-helixtrans-62.1-36.3176.366.2-55000112P248 R254 L261P248-D250 VanDerWaalsContact C-N 3.3Å; P248-D250 WeakPolarHBondContact CB-OD1 3.08Å; P248-D250 PolarHBondContact O-N 3.32Å; D250-R254 WeakPolarHBondContact O-CA 3.27Å; D250-R254 WeakPolarHBondContact O-CB 3.29Å; D250-R254 PolarHBondContact O-N 3.23Å; D250-L261 HydrophobicContact CB-CD1 3.89Å
251V98.1Very high98Very high59 Ų5954.9 Ų54.936%0.35831%0.314SS..Hα-helixtrans-68.1-43.2173.21760000111T247 P248 I249 C253 R254T247-V251 HydrophobicContact CG2-CG1 4.46Å; P248-V251 HydrophobicContact CB-CB 4.26Å; P248-V251 HydrophobicContact CB-CG2 3.94Å; P248-V251 HydrophobicContact CG-CG2 4.07Å; P248-V251 WeakPolarHBondContact O-CB 3.41Å; P248-V251 PolarHBondContact O-N 3.49Å; P248-V251 VanDerWaalsContact O-N 3.14Å; I249-V251 VanDerWaalsContact C-N 3.29Å; I249-V251 PolarHBondContact O-N 2.99Å; V251-C253 PolarHBondContact O-N 3.2Å; V251-R254 WeakPolarHBondContact O-CB 3.45Å; V251-R254 PolarHBondContact O-N 3.48Å
252L98.2Very high98.1Very high2 Ų254.5 Ų54.51%0.0132%0.316CS..Hα-helixtrans-62.4-42.9177.2179.461.8000111.9Y213 M216 R220 L223 P224 W225 T247 P248 I249 L264Y213-L252 HydrophobicContact CD1-CD2 4.06Å; Y213-L252 HydrophobicContact CE1-CD2 4.09Å; M216-L252 VanDerWaalsContact CE-O 3.31Å; M216-L252 WeakPolarHBondContact CE-O 3.32Å; M216-L252 HydrophobicContact CG-CD2 4.34Å; M216-L252 HydrophobicContact CG-CG 4.33Å; R220-L252 PolarHBondContact NH1-O 3.41Å; L223-L252 HydrophobicContact CD2-CD1 4.19Å; P224-L252 HydrophobicContact CG-CD1 3.91Å; W225-L252 HydrophobicContact CH2-CD1 4.34Å; W225-L252 HydrophobicContact CH2-CD2 3.93Å; W225-L252 HydrophobicContact CZ3-CD1 4.34Å; W225-L252 HydrophobicContact CZ3-CD2 4.34Å; T247-L252 HydrophobicContact CG2-CB 4.18Å; P248-L252 PolarHBondContact O-N 2.84Å; I249-L252 PolarHBondContact O-N 2.98Å; L252-L264 HydrophobicContact CD2-CD1 3.91Å
253C98.3Very high98.1Very high6 Ų649.2 Ų49.24%0.04129%0.291CS..Hα-helixtrans-87-2.6-177.2-64.10000114.2M216 I249 V251 G255 Y256 L261M216-C253 HydrophobicContact CE-CB 4.49Å; I249-C253 WeakPolarHBondContact O-CB 3.47Å; I249-C253 PolarHBondContact O-N 3.47Å; I249-C253 PolarHBondContact O-SG 2.58Å; I249-C253 VanDerWaalsContact O-SG 3.4Å; V251-C253 PolarHBondContact O-N 3.2Å; C253-G255 PolarHBondContact O-N 2.75Å; C253-Y256 PolarHBondContact O-N 3.07Å; C253-L261 HydrophobicContact CB-CB 4.12Å
254R97.8Very high98.1Very high170 Ų17045.2 Ų45.264%0.64227%0.273SS*.THydrogen-bonded Turntrans-54.7129.7-178.5-171.7178.7-64.9-175-1.3111.5D250 V251 Y256D250-R254 WeakPolarHBondContact O-CA 3.27Å; D250-R254 WeakPolarHBondContact O-CB 3.29Å; D250-R254 PolarHBondContact O-N 3.23Å; V251-R254 WeakPolarHBondContact O-CB 3.45Å; V251-R254 PolarHBondContact O-N 3.48Å; R254-Y256 VanDerWaalsContact C-N 3.34Å
255G97.6Very high98.2Very high81 Ų8147.4 Ų47.484%0.83529%0.289SS*.THydrogen-bonded Turntrans85.21-179.500000114.9C253C253-G255 PolarHBondContact O-N 2.75Å
256Y98.1Very high98.2Very high50 Ų5046.7 Ų46.720%0.19628%0.275CS..SBendtrans-114.4161.8173.2-60.6-81.2000110.5M114 M216 L219 R220 C253 R254M114-Y256 HydrophobicContact CE-CD1 4.23Å; M216-Y256 HydrophobicContact CE-CD2 3.77Å; M216-Y256 HydrophobicContact CE-CE2 4.17Å; M216-Y256 HydrophobicContact CE-CG 4.33Å; L219-Y256 HydrophobicContact CB-CD1 4.02Å; L219-Y256 HydrophobicContact CB-CE1 3.59Å; L219-Y256 HydrophobicContact CD1-CD1 3.89Å; L219-Y256 HydrophobicContact CD1-CE1 4.33Å; L219-Y256 HydrophobicContact CD1-CG 4.32Å; L219-Y256 HydrophobicContact CD2-CD1 4.35Å; L219-Y256 HydrophobicContact CD2-CE1 4.33Å; L219-Y256 HydrophobicContact CG-CD1 4.33Å; L219-Y256 HydrophobicContact CG-CE1 4.31Å; L219-Y256 PolarHBondContact O-OH 3.26Å; R220-Y256 WeakPolarHBondContact CA-OH 3.39Å; R220-Y256 HydrophobicContact CG-CE2 3.62Å; R220-Y256 WeakPolarHBondContact CG-OH 3.48Å; C253-Y256 PolarHBondContact O-N 3.07Å; R254-Y256 VanDerWaalsContact C-N 3.34Å
257P98.4Very high98.2Very high35 Ų3543 Ų4323%0.22725%0.249CC..  trans-53.9145.3177.9-27.737000112.9M114 E259 F260 L288M114-P257 HydrophobicContact CE-CG 3.76Å; M114-P257 HydrophobicContact SD-CG 4.37Å; P257-E259 WeakPolarHBondContact CB-OE2 3.22Å; P257-E259 PolarHBondContact O-N 3.1Å; P257-E259 VanDerWaalsContact O-N 3.07Å; P257-F260 HydrophobicContact CB-CD2 4.39Å; P257-F260 HydrophobicContact CB-CE2 4.5Å; P257-F260 HydrophobicContact CG-CE2 4.49Å; P257-F260 WeakPolarHBondContact O-CD2 3.32Å; P257-F260 PolarHBondContact O-N 2.9Å; P257-L288 HydrophobicContact CB-CD1 3.82Å; P257-L288 HydrophobicContact CB-CD2 3.54Å; P257-L288 HydrophobicContact CB-CG 4.34Å; P257-L288 HydrophobicContact CG-CD1 4.09Å; P257-L288 HydrophobicContact CG-CD2 3.88Å
258S98.1Very high98.2Very high78 Ų7846 Ų4655%0.54526%0.259SS..Hα-helixtrans-63.4-18.6-17358.20000112.9F260 L261 V262S258-F260 PolarHBondContact O-N 2.78Å; S258-L261 WeakPolarHBondContact O-CA 3.44Å; S258-L261 WeakPolarHBondContact O-CB 3.36Å; S258-L261 PolarHBondContact O-N 3.03Å; S258-V262 WeakPolarHBondContact O-CG2 3.12Å; S258-V262 PolarHBondContact O-N 3.38Å
259E98.5Very high98.2Very high33 Ų3346.2 Ų46.215%0.15427%0.266CS..Hα-helixtrans-58-31.8176.9-68.782.117600113.1P257 Y263 N284 F285 L288P257-E259 WeakPolarHBondContact CB-OE2 3.22Å; P257-E259 PolarHBondContact O-N 3.1Å; P257-E259 VanDerWaalsContact O-N 3.07Å; E259-Y263 WeakPolarHBondContact O-CB 3.35Å; E259-Y263 PolarHBondContact O-N 3.17Å; E259-N284 VanDerWaalsContact CA-ND2 3.33Å; E259-N284 WeakPolarHBondContact CA-ND2 3.44Å; E259-N284 VanDerWaalsContact CB-ND2 3.25Å; E259-N284 WeakPolarHBondContact CB-ND2 3.12Å; E259-N284 WeakPolarHBondContact CG-ND2 3.42Å; E259-N284 PolarHBondContact O-ND2 3.21Å; E259-F285 HydrophobicContact CB-CD1 4.12Å; E259-F285 HydrophobicContact CB-CE1 4.13Å; E259-L288 HydrophobicContact CB-CD2 4.1Å; E259-L288 HydrophobicContact CG-CB 3.98Å; E259-L288 HydrophobicContact CG-CD2 4.15Å
260F98.7Very high98.3Very high4 Ų445.4 Ų45.42%0.01826%0.262CS..Hα-helixtrans-71.3-36.7174.6-67.2-84.4000112.1M114 V117 L118 L215 M216 L219 P257 S258 Y263 L264 F285 L288M114-F260 HydrophobicContact CE-CE2 3.84Å; M114-F260 HydrophobicContact CE-CZ 4.36Å; M114-F260 HydrophobicContact SD-CE2 3.57Å; M114-F260 VanDerWaalsContact SD-CE2 3.57Å; M114-F260 HydrophobicContact SD-CZ 3.74Å; V117-F260 HydrophobicContact CG1-CE1 4.1Å; V117-F260 HydrophobicContact CG1-CZ 4.17Å; L118-F260 HydrophobicContact CD2-CE2 4.46Å; L118-F260 HydrophobicContact CD2-CZ 3.99Å; L215-F260 HydrophobicContact CB-CD1 4.45Å; L215-F260 HydrophobicContact CB-CE1 4.18Å; M216-F260 HydrophobicContact SD-CB 3.76Å; M216-F260 HydrophobicContact SD-CD1 3.9Å; M216-F260 HydrophobicContact SD-CG 3.98Å; L219-F260 HydrophobicContact CD1-CD1 3.93Å; L219-F260 HydrophobicContact CD1-CD2 4.14Å; L219-F260 HydrophobicContact CD1-CE1 3.52Å; L219-F260 HydrophobicContact CD1-CE2 3.77Å; L219-F260 HydrophobicContact CD1-CG 4.24Å; L219-F260 HydrophobicContact CD1-CZ 3.46Å; L219-F260 VanDerWaalsContact CD1-CZ 3.46Å; P257-F260 HydrophobicContact CB-CD2 4.39Å; P257-F260 HydrophobicContact CB-CE2 4.5Å; P257-F260 HydrophobicContact CG-CE2 4.49Å; P257-F260 WeakPolarHBondContact O-CD2 3.32Å; P257-F260 PolarHBondContact O-N 2.9Å; S258-F260 PolarHBondContact O-N 2.78Å; F260-Y263 PolarHBondContact O-N 2.69Å; F260-L264 PolarHBondContact O-N 3.01Å; F260-L264 VanDerWaalsContact O-N 3.12Å; F260-F285 AromaticContact CD1-CE1 3.92Å; F260-F285 HydrophobicContact CD1-CE1 3.92Å; F260-F285 HydrophobicContact CD1-CZ 4.17Å; F260-F285 HydrophobicContact CD2-CE1 4.48Å; F260-F285 AromaticContact CE1-CE1 3.8Å; F260-F285 HydrophobicContact CE1-CE1 3.8Å; F260-F285 HydrophobicContact CE1-CZ 4.16Å; F260-F285 HydrophobicContact CE2-CE1 4.36Å; F260-F285 HydrophobicContact CG-CE1 4.25Å; F260-F285 HydrophobicContact CZ-CD1 4.5Å; F260-F285 HydrophobicContact CZ-CE1 4.01Å; F260-L288 HydrophobicContact CE2-CD2 4.24Å
261L98.6Very high98.3Very high62 Ų6247.7 Ų47.733%0.32527%0.27SS..Hα-helixtrans-64.9-46.9172-179161.8000110.3I249 D250 C253 S258 Y263 L264 S265I249-L261 HydrophobicContact CG2-CG 4.21Å; D250-L261 HydrophobicContact CB-CD1 3.89Å; C253-L261 HydrophobicContact CB-CB 4.12Å; S258-L261 WeakPolarHBondContact O-CA 3.44Å; S258-L261 WeakPolarHBondContact O-CB 3.36Å; S258-L261 PolarHBondContact O-N 3.03Å; L261-Y263 VanDerWaalsContact C-N 3.31Å; L261-Y263 PolarHBondContact O-N 2.93Å; L261-L264 PolarHBondContact O-N 2.9Å; L261-S265 VanDerWaalsContact O-CB 3.24Å; L261-S265 WeakPolarHBondContact O-CB 3.46Å; L261-S265 PolarHBondContact O-N 3.03Å; L261-S265 PolarHBondContact O-OG 2.9Å
262V98.5Very high98.3Very high50 Ų5045.6 Ų45.630%0.30326%0.256SS..Hα-helixtrans-57.7-45.2176.5172.10000110.7S258 H266 F280S258-V262 WeakPolarHBondContact O-CG2 3.12Å; S258-V262 PolarHBondContact O-N 3.38Å; V262-H266 VanDerWaalsContact O-CB 3.31Å; V262-H266 WeakPolarHBondContact O-CB 3.2Å; V262-H266 PolarHBondContact O-N 3.18Å; V262-F280 HydrophobicContact CG1-CE1 3.97Å; V262-F280 HydrophobicContact CG1-CZ 3.78Å
263Y98.8Very high98.3Very high2 Ų250.8 Ų50.81%0.00828%0.28CS..Hα-helixtrans-58.1-55.6178.2-178.6-83.1000112.4L125 M208 G212 E259 F260 L261 S265 H266 C267 L281 F285L125-Y263 HydrophobicContact CD1-CE2 4.25Å; L125-Y263 HydrophobicContact CD2-CE2 3.8Å; M208-Y263 WeakPolarHBondContact O-CE1 3.25Å; M208-Y263 PolarHBondContact O-OH 2.93Å; G212-Y263 VanDerWaalsContact CA-CE1 3.41Å; E259-Y263 WeakPolarHBondContact O-CB 3.35Å; E259-Y263 PolarHBondContact O-N 3.17Å; F260-Y263 PolarHBondContact O-N 2.69Å; L261-Y263 VanDerWaalsContact C-N 3.31Å; L261-Y263 PolarHBondContact O-N 2.93Å; Y263-S265 VanDerWaalsContact C-N 3.35Å; Y263-S265 PolarHBondContact O-N 2.97Å; Y263-H266 PolarHBondContact O-N 3.22Å; Y263-C267 VanDerWaalsContact CE1-SG 3.53Å; Y263-C267 PolarHBondContact O-N 3.31Å; Y263-C267 PolarHBondContact O-SG 3.15Å; Y263-L281 HydrophobicContact CD2-CB 4.14Å; Y263-L281 HydrophobicContact CD2-CD1 4.28Å; Y263-L281 HydrophobicContact CD2-CD2 3.76Å; Y263-L281 HydrophobicContact CD2-CG 4.28Å; Y263-L281 HydrophobicContact CE2-CB 4.17Å; Y263-L281 HydrophobicContact CE2-CD1 3.93Å; Y263-L281 HydrophobicContact CE2-CD2 4.26Å; Y263-L281 HydrophobicContact CE2-CG 4.35Å; Y263-L281 HydrophobicContact CG-CD2 4.41Å; Y263-F285 AromaticContact CD2-CE2 3.5Å; Y263-F285 HydrophobicContact CD2-CE2 3.5Å; Y263-F285 AromaticContact CD2-CZ 3.75Å; Y263-F285 HydrophobicContact CD2-CZ 3.75Å; Y263-F285 HydrophobicContact CE2-CE2 4.03Å; Y263-F285 HydrophobicContact CG-CE2 4.14Å; Y263-F285 AromaticContact CG-CZ 3.91Å; Y263-F285 HydrophobicContact CG-CZ 3.91Å
264L98.7Very high98.3Very high2 Ų254.6 Ų54.61%0.0130%0.297CS..Hα-helixtrans-66.6-37.7-177.1-82.4167.6000111.9Y213 M216 I249 L252 F260 L261 C267 R268Y213-L264 HydrophobicContact CD1-CD2 4.14Å; Y213-L264 HydrophobicContact CE1-CD2 4.01Å; M216-L264 HydrophobicContact CG-CD1 3.99Å; I249-L264 HydrophobicContact CD1-CB 4.11Å; I249-L264 HydrophobicContact CG1-CB 4.28Å; I249-L264 HydrophobicContact CG2-CB 3.62Å; I249-L264 HydrophobicContact CG2-CD1 4.13Å; L252-L264 HydrophobicContact CD2-CD1 3.91Å; F260-L264 PolarHBondContact O-N 3.01Å; F260-L264 VanDerWaalsContact O-N 3.12Å; L261-L264 PolarHBondContact O-N 2.9Å; L264-C267 PolarHBondContact O-N 3.39Å; L264-R268 PolarHBondContact O-N 3.09Å
265S98.3Very high98.3Very high47 Ų4750.5 Ų50.533%0.32929%0.291SS..Hα-helixtrans-65.2-42.9177.1-55.80000111.3L261 Y263 R268 A269L261-S265 VanDerWaalsContact O-CB 3.24Å; L261-S265 WeakPolarHBondContact O-CB 3.46Å; L261-S265 PolarHBondContact O-N 3.03Å; L261-S265 PolarHBondContact O-OG 2.9Å; Y263-S265 VanDerWaalsContact C-N 3.35Å; Y263-S265 PolarHBondContact O-N 2.97Å; S265-R268 PolarHBondContact O-N 3.29Å; S265-A269 WeakPolarHBondContact O-CB 3.38Å; S265-A269 PolarHBondContact O-N 2.85Å
266H98.3Very high98.4Very high45 Ų4546.8 Ų46.821%0.20825%0.253CS..Hα-helixtrans-58.4-49.5172.7179.284.3000110.9V262 Y263 R268 A269 L270 N277 L281V262-H266 VanDerWaalsContact O-CB 3.31Å; V262-H266 WeakPolarHBondContact O-CB 3.2Å; V262-H266 PolarHBondContact O-N 3.18Å; Y263-H266 PolarHBondContact O-N 3.22Å; H266-R268 PolarHBondContact O-N 3.19Å; H266-A269 PolarHBondContact O-N 2.9Å; H266-A269 VanDerWaalsContact O-N 3.16Å; H266-L270 WeakPolarHBondContact O-CG 3.05Å; H266-L270 PolarHBondContact O-N 3.35Å; H266-N277 PolarHBondContact NE2-N 2.59Å; H266-L281 HydrophobicContact CB-CD2 4.07Å
267C98.5Very high98.4Very high0 Ų048.5 Ų48.50%027%0.265CS..Hα-helixtrans-60.5-41.7-178.6-63.10000112.8M208 E209 Y263 L264 A269 L270M208-C267 HydrophobicContact CB-CB 4.44Å; E209-C267 HydrophobicContact CB-CB 4.14Å; Y263-C267 VanDerWaalsContact CE1-SG 3.53Å; Y263-C267 PolarHBondContact O-N 3.31Å; Y263-C267 PolarHBondContact O-SG 3.15Å; L264-C267 PolarHBondContact O-N 3.39Å; C267-A269 VanDerWaalsContact C-N 3.33Å; C267-L270 PolarHBondContact O-N 3.26Å
268R97.3Very high98.4Very high75 Ų7547.7 Ų47.728%0.28326%0.258SS..Hα-helixtrans-70.4-26.7177.6-73.1-158.8-174.7168.9-3.1113.6L194 E209 Y213 I249 L264 S265 H266L194-R268 VanDerWaalsContact CD1-CZ 3.46Å; E209-R268 IonicContact OE1-NE 3.48Å; Y213-R268 PolarHBondContact OH-NH2 3.36Å; I249-R268 HydrophobicContact CD1-CB 4.46Å; I249-R268 HydrophobicContact CD1-CG 4.04Å; L264-R268 PolarHBondContact O-N 3.09Å; S265-R268 PolarHBondContact O-N 3.29Å; H266-R268 PolarHBondContact O-N 3.19Å
269A98.2Very high98.4Very high67 Ų6745.7 Ų45.755%0.55425%0.25SC*.Hα-helixtrans-79.9-18.8179.400000113.6S265 H266 C267 Q271S265-A269 WeakPolarHBondContact O-CB 3.38Å; S265-A269 PolarHBondContact O-N 2.85Å; H266-A269 PolarHBondContact O-N 2.9Å; H266-A269 VanDerWaalsContact O-N 3.16Å; C267-A269 VanDerWaalsContact C-N 3.33Å; A269-Q271 PolarHBondContact O-N 3.22Å; A269-Q271 PolarHBondContact O-NE2 3.39Å
270L98.5Very high98.4Very high3 Ų348.4 Ų48.42%0.01626%0.261CS..  trans-60.7132-178.8-71.9171.2000112R205 H266 C267 E274 P276R205-L270 HydrophobicContact CB-CB 3.73Å; R205-L270 HydrophobicContact CB-CD1 3.88Å; R205-L270 HydrophobicContact CB-CG 4.48Å; R205-L270 WeakPolarHBondContact CD-O 3.13Å; R205-L270 PolarHBondContact NH1-O 2.92Å; H266-L270 WeakPolarHBondContact O-CG 3.05Å; H266-L270 PolarHBondContact O-N 3.35Å; C267-L270 PolarHBondContact O-N 3.26Å; L270-E274 WeakPolarHBondContact CA-OE2 3.42Å; L270-E274 HydrophobicContact CD2-CB 4.14Å; L270-E274 VanDerWaalsContact CD2-CD 3.45Å; L270-E274 HydrophobicContact CD2-CG 3.79Å; L270-P276 HydrophobicContact CD1-CB 3.92Å; L270-P276 HydrophobicContact CD1-CG 3.83Å
271Q98.4Very high98.4Very high130 Ų13048.2 Ų48.261%0.60726%0.26SS*.  trans-69.4160.8170.2-56.8-56.6-55.200111.2A269 E273 E274A269-Q271 PolarHBondContact O-N 3.22Å; A269-Q271 PolarHBondContact O-NE2 3.39Å; Q271-E273 VanDerWaalsContact C-N 3.28Å; Q271-E273 PolarHBondContact O-N 2.86Å; Q271-E274 HydrophobicContact CB-CB 4.08Å; Q271-E274 PolarHBondContact N-OE2 2.88Å; Q271-E274 WeakPolarHBondContact O-CB 3.47Å; Q271-E274 PolarHBondContact O-N 2.96Å; Q271-E274 VanDerWaalsContact O-N 3.08Å
272F98.4Very high98.4Very high15 Ų1546.3 Ų46.37%0.06625%0.249CC..THydrogen-bonded Turntrans-56.1-40.9-174.3174.5-112.1000113.2H176 I177 Y179 E201 S203H176-F272 AromaticContact CE1-CD1 3.98Å; H176-F272 AromaticContact CE1-CE1 3.57Å; H176-F272 AromaticContact CE1-CZ 3.69Å; H176-F272 AromaticContact ND1-CE1 3.52Å; H176-F272 AromaticContact ND1-CZ 3.99Å; I177-F272 HydrophobicContact CD1-CZ 4.38Å; I177-F272 HydrophobicContact CG1-CZ 4.09Å; I177-F272 VanDerWaalsContact O-CE1 3.3Å; I177-F272 WeakPolarHBondContact O-CE1 3.34Å; Y179-F272 HydrophobicContact CD2-CB 4.09Å; Y179-F272 HydrophobicContact CD2-CD1 4.03Å; Y179-F272 HydrophobicContact CD2-CD2 4.13Å; Y179-F272 HydrophobicContact CD2-CE1 4.5Å; Y179-F272 AromaticContact CD2-CG 3.82Å; Y179-F272 HydrophobicContact CD2-CG 3.82Å; E201-F272 HydrophobicContact CB-CE2 4.3Å; E201-F272 HydrophobicContact CB-CZ 4.35Å; E201-F272 HydrophobicContact CG-CE2 4.44Å; E201-F272 HydrophobicContact CG-CZ 4.24Å; E201-F272 WeakPolarHBondContact O-CE2 3.4Å; S203-F272 WeakPolarHBondContact CB-O 3.02Å; S203-F272 PolarHBondContact OG-O 3.37Å
273E98.2Very high98.4Very high112 Ų11247.8 Ų47.852%0.52326%0.255SS..THydrogen-bonded Turntrans-95.1-0.2-179.2-52.5-167.4168.800113.5H176 R204 Q271H176-E273 HydrophobicContact CB-CB 4.26Å; H176-E273 HydrophobicContact CB-CG 3.96Å; R204-E273 PolarHBondContact NH2-O 3.3Å; Q271-E273 VanDerWaalsContact C-N 3.28Å; Q271-E273 PolarHBondContact O-N 2.86Å
274E98.2Very high98.3Very high85 Ų8549 Ų4940%0.39726%0.262SS..PPolyproline II helixtrans-69.3148.3-173.4-163.7173.3166.900111.7R204 L270 Q271 P276R204-E274 PolarHBondContact NH2-O 2.76Å; L270-E274 WeakPolarHBondContact CA-OE2 3.42Å; L270-E274 HydrophobicContact CD2-CB 4.14Å; L270-E274 VanDerWaalsContact CD2-CD 3.45Å; L270-E274 HydrophobicContact CD2-CG 3.79Å; Q271-E274 HydrophobicContact CB-CB 4.08Å; Q271-E274 PolarHBondContact N-OE2 2.88Å; Q271-E274 WeakPolarHBondContact O-CB 3.47Å; Q271-E274 PolarHBondContact O-N 2.96Å; Q271-E274 VanDerWaalsContact O-N 3.08Å; E274-P276 WeakPolarHBondContact O-CD 3.45Å
275T98.2Very high98.3Very high84 Ų8449 Ų4952%0.51526%0.262SS..PPolyproline II helixtrans-91.5118.3173.7-56.80000108.7R204 Y278R204-T275 PolarHBondContact NH1-OG1 3.09Å; T275-Y278 HydrophobicContact CG2-CE2 4.16Å
276P98.6Very high98.3Very high3 Ų351.6 Ų51.62%0.01926%0.264CS..PPolyproline II helixtrans-54.6141.4174.7-21.428.2000111.7R204 M208 L270 E274 Y278R204-P276 HydrophobicContact CB-CG 4.02Å; M208-P276 HydrophobicContact CE-CB 4.18Å; M208-P276 HydrophobicContact CG-CB 4.13Å; M208-P276 HydrophobicContact CG-CG 3.82Å; L270-P276 HydrophobicContact CD1-CB 3.92Å; L270-P276 HydrophobicContact CD1-CG 3.83Å; E274-P276 WeakPolarHBondContact O-CD 3.45Å; P276-Y278 VanDerWaalsContact C-N 3.29Å; P276-Y278 HydrophobicContact CB-CD1 4.35Å; P276-Y278 HydrophobicContact CB-CE1 3.94Å; P276-Y278 HydrophobicContact CB-CE2 4.21Å; P276-Y278 WeakPolarHBondContact CD-OH 3.32Å; P276-Y278 HydrophobicContact CG-CE1 4.12Å; P276-Y278 HydrophobicContact CG-CE2 4.47Å; P276-Y278 WeakPolarHBondContact O-CD2 3.48Å; P276-Y278 WeakPolarHBondContact O-CE2 3.3Å; P276-Y278 PolarHBondContact O-N 2.71Å
277N98.2Very high98.3Very high86 Ų8652.2 Ų52.246%0.4627%0.269SS..  trans-82.276.4173.6-168.9-21.4000110.2H266 G279 F280 L281H266-N277 PolarHBondContact NE2-N 2.59Å; N277-G279 PolarHBondContact O-N 2.89Å; N277-F280 HydrophobicContact CB-CB 3.95Å; N277-F280 PolarHBondContact O-N 2.84Å; N277-F280 WeakPolarHBondContact OD1-CB 3.2Å; N277-F280 PolarHBondContact OD1-N 3.3Å; N277-L281 WeakPolarHBondContact O-CG 3.31Å; N277-L281 PolarHBondContact O-N 3.07Å; N277-L281 VanDerWaalsContact O-N 3.09Å
278Y98.5Very high98.3Very high18 Ų1852.6 Ų52.67%0.07127%0.271CS..Hα-helixtrans-56-37.8-177.8-51-85.6000112.5D129 H132 M208 T275 P276 L281 R282D129-Y278 HydrophobicContact CB-CD1 3.78Å; D129-Y278 HydrophobicContact CB-CD2 4.32Å; D129-Y278 HydrophobicContact CB-CE1 4.21Å; D129-Y278 HydrophobicContact CB-CG 3.86Å; H132-Y278 VanDerWaalsContact CB-OH 3.32Å; H132-Y278 WeakPolarHBondContact CB-OH 3.23Å; H132-Y278 AromaticContact ND1-CE1 3.69Å; H132-Y278 AromaticContact ND1-CZ 3.6Å; H132-Y278 PolarHBondContact ND1-OH 3.04Å; M208-Y278 HydrophobicContact CE-CD1 3.8Å; M208-Y278 HydrophobicContact CE-CE1 3.97Å; M208-Y278 HydrophobicContact SD-CD1 4.05Å; M208-Y278 HydrophobicContact SD-CE1 3.67Å; T275-Y278 HydrophobicContact CG2-CE2 4.16Å; P276-Y278 VanDerWaalsContact C-N 3.29Å; P276-Y278 HydrophobicContact CB-CD1 4.35Å; P276-Y278 HydrophobicContact CB-CE1 3.94Å; P276-Y278 HydrophobicContact CB-CE2 4.21Å; P276-Y278 WeakPolarHBondContact CD-OH 3.32Å; P276-Y278 HydrophobicContact CG-CE1 4.12Å; P276-Y278 HydrophobicContact CG-CE2 4.47Å; P276-Y278 WeakPolarHBondContact O-CD2 3.48Å; P276-Y278 WeakPolarHBondContact O-CE2 3.3Å; P276-Y278 PolarHBondContact O-N 2.71Å; Y278-L281 PolarHBondContact O-N 3.45Å; Y278-R282 WeakPolarHBondContact O-CB 3.32Å; Y278-R282 WeakPolarHBondContact O-CG 3.45Å; Y278-R282 PolarHBondContact O-N 3.22Å
279G98.3Very high98.4Very high37 Ų3749.5 Ų49.538%0.38126%0.26SS..Hα-helixtrans-61.7-48.9178.400000112.1N277 N283N277-G279 PolarHBondContact O-N 2.89Å; G279-N283 VanDerWaalsContact O-CB 3.25Å; G279-N283 WeakPolarHBondContact O-CB 3.36Å; G279-N283 PolarHBondContact O-N 3.47Å
280F98.4Very high98.4Very high89 Ų8954 Ų5439%0.3926%0.262SS..Hα-helixtrans-57.8-50.6174.6167.7-104.3000111.8V262 N277 R282 N283 N284V262-F280 HydrophobicContact CG1-CE1 3.97Å; V262-F280 HydrophobicContact CG1-CZ 3.78Å; N277-F280 HydrophobicContact CB-CB 3.95Å; N277-F280 PolarHBondContact O-N 2.84Å; N277-F280 WeakPolarHBondContact OD1-CB 3.2Å; N277-F280 PolarHBondContact OD1-N 3.3Å; F280-R282 PolarHBondContact O-N 3.42Å; F280-N283 PolarHBondContact O-N 3.12Å; F280-N284 WeakPolarHBondContact O-CB 3.5Å; F280-N284 PolarHBondContact O-N 3.21Å
281L98.5Very high98.4Very high0 Ų057.8 Ų57.80%029%0.289CS..Hα-helixtrans-62.7-42.7-177.2-63.6172.4000112.3L125 M208 Y263 H266 N277 Y278 F285L125-L281 HydrophobicContact CD1-CB 4.36Å; M208-L281 HydrophobicContact CE-CD1 3.45Å; M208-L281 VanDerWaalsContact CE-CD1 3.45Å; Y263-L281 HydrophobicContact CD2-CB 4.14Å; Y263-L281 HydrophobicContact CD2-CD1 4.28Å; Y263-L281 HydrophobicContact CD2-CD2 3.76Å; Y263-L281 HydrophobicContact CD2-CG 4.28Å; Y263-L281 HydrophobicContact CE2-CB 4.17Å; Y263-L281 HydrophobicContact CE2-CD1 3.93Å; Y263-L281 HydrophobicContact CE2-CD2 4.26Å; Y263-L281 HydrophobicContact CE2-CG 4.35Å; Y263-L281 HydrophobicContact CG-CD2 4.41Å; H266-L281 HydrophobicContact CB-CD2 4.07Å; N277-L281 WeakPolarHBondContact O-CG 3.31Å; N277-L281 PolarHBondContact O-N 3.07Å; N277-L281 VanDerWaalsContact O-N 3.09Å; Y278-L281 PolarHBondContact O-N 3.45Å; L281-F285 PolarHBondContact O-N 2.75Å
282R98.5Very high98.4Very high23 Ų2355 Ų559%0.08728%0.278CS..Hα-helixtrans-65.2-45.5174.2-73.5-167.1-59.1-1170.9111.6L125 W126 D129 Y278 F280 N284 F285 R286L125-R282 HydrophobicContact CB-CG 3.67Å; L125-R282 HydrophobicContact CD1-CG 3.68Å; L125-R282 HydrophobicContact CG-CG 4.3Å; W126-R282 VanDerWaalsContact CE2-NH1 3.34Å; W126-R282 VanDerWaalsContact CZ2-NH2 3.25Å; D129-R282 IonicContact OD2-CZ 3.87Å; D129-R282 IonicContact OD2-NH1 2.77Å; D129-R282 PolarHBondContact OD2-NH1 2.89Å; D129-R282 IonicContact OD2-NH2 3.57Å; D129-R282 PolarHBondContact OD2-NH2 3.03Å; Y278-R282 WeakPolarHBondContact O-CB 3.32Å; Y278-R282 WeakPolarHBondContact O-CG 3.45Å; Y278-R282 PolarHBondContact O-N 3.22Å; F280-R282 PolarHBondContact O-N 3.42Å; R282-N284 VanDerWaalsContact C-N 3.26Å; R282-N284 PolarHBondContact O-N 2.88Å; R282-F285 PolarHBondContact O-N 3.41Å; R282-R286 WeakPolarHBondContact O-CG 3.37Å; R282-R286 PolarHBondContact O-N 3.48Å
283N98.4Very high98.4Very high81 Ų8159.2 Ų59.243%0.43331%0.309SS..Hα-helixtrans-62.8-36.4-179-164.657.3000111.6G279 F280 R286 N287G279-N283 VanDerWaalsContact O-CB 3.25Å; G279-N283 WeakPolarHBondContact O-CB 3.36Å; G279-N283 PolarHBondContact O-N 3.47Å; F280-N283 PolarHBondContact O-N 3.12Å; N283-R286 PolarHBondContact O-N 2.82Å; N283-N287 PolarHBondContact ND2-ND2 2.83Å; N283-N287 WeakPolarHBondContact O-CB 3.28Å; N283-N287 PolarHBondContact O-N 3.14Å; N283-N287 PolarHBondContact O-ND2 3.1Å; N283-N287 PolarHBondContact O-OD1 3.29Å
284N98.4Very high98.4Very high27 Ų2757 Ų5714%0.14430%0.298CS..Hα-helixtrans-56.7-51.8174.9-162.646.5000111.6E259 F280 R282 R286 N287 L288E259-N284 VanDerWaalsContact CA-ND2 3.33Å; E259-N284 WeakPolarHBondContact CA-ND2 3.44Å; E259-N284 VanDerWaalsContact CB-ND2 3.25Å; E259-N284 WeakPolarHBondContact CB-ND2 3.12Å; E259-N284 WeakPolarHBondContact CG-ND2 3.42Å; E259-N284 PolarHBondContact O-ND2 3.21Å; F280-N284 WeakPolarHBondContact O-CB 3.5Å; F280-N284 PolarHBondContact O-N 3.21Å; R282-N284 VanDerWaalsContact C-N 3.26Å; R282-N284 PolarHBondContact O-N 2.88Å; N284-R286 PolarHBondContact O-N 3.36Å; N284-N287 PolarHBondContact O-N 3.43Å; N284-L288 PolarHBondContact O-N 2.87Å; N284-L288 VanDerWaalsContact O-N 3.12Å
285F98.7Very high98.3Very high3 Ų357.7 Ų57.71%0.01331%0.308CS..Hα-helixtrans-66.8-35176-68.6-45.9000113.5L118 A121 L125 L215 E259 F260 Y263 L281 R282 L288 F289L118-F285 HydrophobicContact CD2-CB 3.88Å; L118-F285 HydrophobicContact CD2-CD1 3.54Å; L118-F285 HydrophobicContact CD2-CE1 4.38Å; L118-F285 HydrophobicContact CD2-CG 3.97Å; A121-F285 HydrophobicContact CB-CD2 3.91Å; A121-F285 HydrophobicContact CB-CE2 4.14Å; A121-F285 HydrophobicContact CB-CG 4.47Å; L125-F285 HydrophobicContact CD1-CD2 4.02Å; L125-F285 HydrophobicContact CD1-CE2 4.19Å; L215-F285 HydrophobicContact CD1-CE2 3.93Å; L215-F285 HydrophobicContact CD1-CZ 3.96Å; E259-F285 HydrophobicContact CB-CD1 4.12Å; E259-F285 HydrophobicContact CB-CE1 4.13Å; F260-F285 AromaticContact CD1-CE1 3.92Å; F260-F285 HydrophobicContact CD1-CE1 3.92Å; F260-F285 HydrophobicContact CD1-CZ 4.17Å; F260-F285 HydrophobicContact CD2-CE1 4.48Å; F260-F285 AromaticContact CE1-CE1 3.8Å; F260-F285 HydrophobicContact CE1-CE1 3.8Å; F260-F285 HydrophobicContact CE1-CZ 4.16Å; F260-F285 HydrophobicContact CE2-CE1 4.36Å; F260-F285 HydrophobicContact CG-CE1 4.25Å; F260-F285 HydrophobicContact CZ-CD1 4.5Å; F260-F285 HydrophobicContact CZ-CE1 4.01Å; Y263-F285 AromaticContact CD2-CE2 3.5Å; Y263-F285 HydrophobicContact CD2-CE2 3.5Å; Y263-F285 AromaticContact CD2-CZ 3.75Å; Y263-F285 HydrophobicContact CD2-CZ 3.75Å; Y263-F285 HydrophobicContact CE2-CE2 4.03Å; Y263-F285 HydrophobicContact CG-CE2 4.14Å; Y263-F285 AromaticContact CG-CZ 3.91Å; Y263-F285 HydrophobicContact CG-CZ 3.91Å; L281-F285 PolarHBondContact O-N 2.75Å; R282-F285 PolarHBondContact O-N 3.41Å; F285-L288 PolarHBondContact O-N 2.86Å; F285-F289 WeakPolarHBondContact O-CB 3.15Å; F285-F289 PolarHBondContact O-N 2.89Å
286R98.4Very high98.3Very high100 Ų10057.8 Ų57.838%0.37730%0.299SS..Hα-helixtrans-66.7-35.6174.8-71.9175.2-178.9-165.5-8112.6D122 R282 N283 N284 F289 R290D122-R286 VanDerWaalsContact CG-NH2 3.33Å; D122-R286 IonicContact OD1-CZ 2.87Å; D122-R286 IonicContact OD1-NE 2.98Å; D122-R286 PolarHBondContact OD1-NE 3.24Å; D122-R286 IonicContact OD1-NH2 3.62Å; D122-R286 PolarHBondContact OD1-NH2 3.5Å; D122-R286 IonicContact OD2-CZ 3.62Å; D122-R286 IonicContact OD2-NE 2.71Å; D122-R286 IonicContact OD2-NH2 3.91Å; D122-R286 PolarHBondContact OD2-NH2 3.34Å; R282-R286 WeakPolarHBondContact O-CG 3.37Å; R282-R286 PolarHBondContact O-N 3.48Å; N283-R286 PolarHBondContact O-N 2.82Å; N284-R286 PolarHBondContact O-N 3.36Å; R286-F289 PolarHBondContact O-N 2.82Å; R286-R290 WeakPolarHBondContact O-CG 3.31Å; R286-R290 PolarHBondContact O-N 2.82Å; R286-R290 VanDerWaalsContact O-N 3.09Å
287N98.5Very high98.2Very high59 Ų5960.9 Ų60.932%0.31632%0.315SS..Hα-helixtrans-65.9-47.7175.3-67.6-12.6000110.3N283 N284 F289 R290 S291N283-N287 PolarHBondContact ND2-ND2 2.83Å; N283-N287 WeakPolarHBondContact O-CB 3.28Å; N283-N287 PolarHBondContact O-N 3.14Å; N283-N287 PolarHBondContact O-ND2 3.1Å; N283-N287 PolarHBondContact O-OD1 3.29Å; N284-N287 PolarHBondContact O-N 3.43Å; N287-F289 VanDerWaalsContact C-N 3.34Å; N287-F289 PolarHBondContact O-N 3.32Å; N287-R290 PolarHBondContact O-N 3.32Å; N287-R290 PolarHBondContact OD1-NH2 3.26Å; N287-S291 WeakPolarHBondContact O-CB 3.15Å; N287-S291 PolarHBondContact O-N 3.48Å
288L98.6Very high98.1Very high8 Ų861.5 Ų61.54%0.04231%0.312CS..Hα-helixtrans-56.5-47.9173.4176.861.3000111.4M114 L118 P257 E259 F260 N284 F285 R290 S291 L292M114-L288 HydrophobicContact SD-CD2 4.49Å; L118-L288 HydrophobicContact CD1-CD2 3.96Å; L118-L288 HydrophobicContact CD1-CG 3.96Å; L118-L288 HydrophobicContact CD2-CD2 3.87Å; P257-L288 HydrophobicContact CB-CD1 3.82Å; P257-L288 HydrophobicContact CB-CD2 3.54Å; P257-L288 HydrophobicContact CB-CG 4.34Å; P257-L288 HydrophobicContact CG-CD1 4.09Å; P257-L288 HydrophobicContact CG-CD2 3.88Å; E259-L288 HydrophobicContact CB-CD2 4.1Å; E259-L288 HydrophobicContact CG-CB 3.98Å; E259-L288 HydrophobicContact CG-CD2 4.15Å; F260-L288 HydrophobicContact CE2-CD2 4.24Å; N284-L288 PolarHBondContact O-N 2.87Å; N284-L288 VanDerWaalsContact O-N 3.12Å; F285-L288 PolarHBondContact O-N 2.86Å; L288-R290 VanDerWaalsContact C-N 3.29Å; L288-R290 PolarHBondContact O-N 3.18Å; L288-S291 WeakPolarHBondContact CA-OG 3.39Å; L288-S291 PolarHBondContact O-N 2.96Å; L288-S291 VanDerWaalsContact O-N 3.09Å; L288-S291 PolarHBondContact O-OG 2.97Å; L288-L292 HydrophobicContact CD1-CD1 3.83Å; L288-L292 HydrophobicContact CD1-CG 4Å; L288-L292 HydrophobicContact CG-CD1 4Å; L288-L292 WeakPolarHBondContact O-CG 3.44Å; L288-L292 PolarHBondContact O-N 2.77Å
289F98.7Very high98Very high10 Ų1062.5 Ų62.54%0.04432%0.319CS..Hα-helixtrans-54.4-44.9178.3-171-88.7000112.3K115 L118 M119 F285 R286 N287 F294 V295 W296K115-F289 HydrophobicContact CG-CE2 3.9Å; K115-F289 HydrophobicContact CG-CZ 4.34Å; L118-F289 HydrophobicContact CB-CD2 3.82Å; L118-F289 HydrophobicContact CD1-CB 4.15Å; L118-F289 HydrophobicContact CD1-CD2 4.15Å; M119-F289 HydrophobicContact CG-CE2 3.62Å; M119-F289 HydrophobicContact CG-CZ 4.06Å; M119-F289 HydrophobicContact SD-CE2 4.38Å; M119-F289 HydrophobicContact SD-CZ 4.36Å; F285-F289 WeakPolarHBondContact O-CB 3.15Å; F285-F289 PolarHBondContact O-N 2.89Å; R286-F289 PolarHBondContact O-N 2.82Å; N287-F289 VanDerWaalsContact C-N 3.34Å; N287-F289 PolarHBondContact O-N 3.32Å; F289-F294 HydrophobicContact CD1-CB 3.85Å; F289-F294 HydrophobicContact CD2-CB 3.91Å; F289-F294 AromaticContact CD2-CD2 3.83Å; F289-F294 HydrophobicContact CD2-CD2 3.83Å; F289-F294 HydrophobicContact CD2-CG 4.38Å; F289-F294 VanDerWaalsContact CE1-C 3.47Å; F289-F294 HydrophobicContact CE1-CB 3.53Å; F289-F294 WeakPolarHBondContact CE1-O 3.18Å; F289-F294 HydrophobicContact CE2-CB 3.59Å; F289-F294 HydrophobicContact CE2-CD2 4Å; F289-F294 HydrophobicContact CE2-CG 4.23Å; F289-F294 HydrophobicContact CG-CB 4.04Å; F289-F294 HydrophobicContact CG-CD2 4.35Å; F289-F294 HydrophobicContact CZ-CB 3.4Å; F289-F294 VanDerWaalsContact CZ-CB 3.4Å; F289-F294 HydrophobicContact CZ-CG 4.48Å; F289-F294 PolarHBondContact O-N 3.12Å; F289-V295 WeakPolarHBondContact CZ-O 3.26Å; F289-W296 HydrophobicContact CD1-CE3 4.34Å; F289-W296 HydrophobicContact CE1-CB 4.19Å; F289-W296 AromaticContact CE1-CE3 3.96Å; F289-W296 HydrophobicContact CE1-CE3 3.96Å; F289-W296 HydrophobicContact CE2-CE3 4.24Å; F289-W296 HydrophobicContact CZ-CB 4.44Å; F289-W296 AromaticContact CZ-CE3 3.9Å; F289-W296 HydrophobicContact CZ-CE3 3.9Å
290R98.3Very high98Very high161 Ų16160.7 Ų60.761%0.60830%0.301SS*.Hα-helixtrans-69-40.2176.2-70.4-175.4-68.6152.3-7.6112.6R286 N287 L288 L292 S293R286-R290 WeakPolarHBondContact O-CG 3.31Å; R286-R290 PolarHBondContact O-N 2.82Å; R286-R290 VanDerWaalsContact O-N 3.09Å; N287-R290 PolarHBondContact O-N 3.32Å; N287-R290 PolarHBondContact OD1-NH2 3.26Å; L288-R290 VanDerWaalsContact C-N 3.29Å; L288-R290 PolarHBondContact O-N 3.18Å; R290-L292 PolarHBondContact O-N 3.27Å; R290-S293 WeakPolarHBondContact O-CA 3.32Å; R290-S293 PolarHBondContact O-N 2.9Å
291S98.2Very high98Very high83 Ų8357.4 Ų57.458%0.5829%0.288SS*.Hα-helixtrans-64.1-30.3179.175.90000112.9N287 L288 S293N287-S291 WeakPolarHBondContact O-CB 3.15Å; N287-S291 PolarHBondContact O-N 3.48Å; L288-S291 WeakPolarHBondContact CA-OG 3.39Å; L288-S291 PolarHBondContact O-N 2.96Å; L288-S291 VanDerWaalsContact O-N 3.09Å; L288-S291 PolarHBondContact O-OG 2.97Å; S291-S293 PolarHBondContact O-N 3.16Å
292L98.1Very high97.9Very high71 Ų7158 Ų5837%0.37229%0.29SS..THydrogen-bonded Turntrans-83.47.4173.6-63.8174.4000112.8M114 L118 L288 R290 F294M114-L292 HydrophobicContact CG-CD1 3.77Å; L118-L292 HydrophobicContact CD1-CD1 4.37Å; L288-L292 HydrophobicContact CD1-CD1 3.83Å; L288-L292 HydrophobicContact CD1-CG 4Å; L288-L292 HydrophobicContact CG-CD1 4Å; L288-L292 WeakPolarHBondContact O-CG 3.44Å; L288-L292 PolarHBondContact O-N 2.77Å; R290-L292 PolarHBondContact O-N 3.27Å; L292-F294 HydrophobicContact CB-CD1 4.36Å; L292-F294 HydrophobicContact CB-CD2 3.86Å; L292-F294 HydrophobicContact CB-CE1 4.21Å; L292-F294 HydrophobicContact CB-CE2 3.69Å; L292-F294 HydrophobicContact CB-CG 4.2Å; L292-F294 HydrophobicContact CB-CZ 3.87Å; L292-F294 HydrophobicContact CD1-CD2 4.23Å; L292-F294 HydrophobicContact CD1-CE2 3.49Å; L292-F294 VanDerWaalsContact CD1-CE2 3.49Å; L292-F294 HydrophobicContact CD1-CZ 3.95Å; L292-F294 HydrophobicContact CG-CE2 4.25Å; L292-F294 PolarHBondContact O-N 3.14Å; L292-F294 VanDerWaalsContact O-N 3.13Å
293S98Very high97.7Very high103 Ų10358.5 Ų58.572%0.7230%0.295SS*.THydrogen-bonded Turntrans54.129.9-178.8-53.50000114R290 S291R290-S293 WeakPolarHBondContact O-CA 3.32Å; R290-S293 PolarHBondContact O-N 2.9Å; S291-S293 PolarHBondContact O-N 3.16Å
294F98.3Very high97.4Very high67 Ų6758.4 Ų58.429%0.29430%0.295SS..  trans-75.1145.9174.7-63.2-32.1000111.3M114 K115 L118 F289 L292M114-F294 HydrophobicContact CB-CE2 4.15Å; M114-F294 HydrophobicContact CB-CZ 4.34Å; M114-F294 HydrophobicContact CG-CE2 4.08Å; K115-F294 HydrophobicContact CB-CD1 4.27Å; K115-F294 HydrophobicContact CB-CD2 3.86Å; K115-F294 HydrophobicContact CB-CE1 4.28Å; K115-F294 HydrophobicContact CB-CE2 3.86Å; K115-F294 HydrophobicContact CB-CG 4.08Å; K115-F294 HydrophobicContact CB-CZ 4.08Å; K115-F294 HydrophobicContact CD-CG 4.5Å; K115-F294 HydrophobicContact CG-CB 4.21Å; K115-F294 HydrophobicContact CG-CD1 4.39Å; K115-F294 HydrophobicContact CG-CD2 4.12Å; K115-F294 HydrophobicContact CG-CG 4Å; L118-F294 HydrophobicContact CD1-CD2 4.47Å; L118-F294 HydrophobicContact CD1-CE2 4.4Å; F289-F294 HydrophobicContact CD1-CB 3.85Å; F289-F294 HydrophobicContact CD2-CB 3.91Å; F289-F294 AromaticContact CD2-CD2 3.83Å; F289-F294 HydrophobicContact CD2-CD2 3.83Å; F289-F294 HydrophobicContact CD2-CG 4.38Å; F289-F294 VanDerWaalsContact CE1-C 3.47Å; F289-F294 HydrophobicContact CE1-CB 3.53Å; F289-F294 WeakPolarHBondContact CE1-O 3.18Å; F289-F294 HydrophobicContact CE2-CB 3.59Å; F289-F294 HydrophobicContact CE2-CD2 4Å; F289-F294 HydrophobicContact CE2-CG 4.23Å; F289-F294 HydrophobicContact CG-CB 4.04Å; F289-F294 HydrophobicContact CG-CD2 4.35Å; F289-F294 HydrophobicContact CZ-CB 3.4Å; F289-F294 VanDerWaalsContact CZ-CB 3.4Å; F289-F294 HydrophobicContact CZ-CG 4.48Å; F289-F294 PolarHBondContact O-N 3.12Å; L292-F294 HydrophobicContact CB-CD1 4.36Å; L292-F294 HydrophobicContact CB-CD2 3.86Å; L292-F294 HydrophobicContact CB-CE1 4.21Å; L292-F294 HydrophobicContact CB-CE2 3.69Å; L292-F294 HydrophobicContact CB-CG 4.2Å; L292-F294 HydrophobicContact CB-CZ 3.87Å; L292-F294 HydrophobicContact CD1-CD2 4.23Å; L292-F294 HydrophobicContact CD1-CE2 3.49Å; L292-F294 VanDerWaalsContact CD1-CE2 3.49Å; L292-F294 HydrophobicContact CD1-CZ 3.95Å; L292-F294 HydrophobicContact CG-CE2 4.25Å; L292-F294 PolarHBondContact O-N 3.14Å; L292-F294 VanDerWaalsContact O-N 3.13Å
295V97.4Very high97Very high99 Ų9960.2 Ų60.260%0.630%0.304SS*.  trans-100.1134.7175-178.60000109.5K115 F289 D297K115-V295 VanDerWaalsContact CE-O 3.26Å; K115-V295 WeakPolarHBondContact CE-O 2.94Å; F289-V295 WeakPolarHBondContact CZ-O 3.26Å; V295-D297 VanDerWaalsContact C-N 3.3Å; V295-D297 HydrophobicContact CG1-CB 4.25Å; V295-D297 PolarHBondContact O-N 2.83Å
296W96.8Very high96.6Very high86 Ų8665.6 Ų65.633%0.32632%0.324SS..  trans-81.676.4176.5-164-79.1000110.8M119 D122 F289 Y298M119-W296 HydrophobicContact CB-CH2 4.03Å; M119-W296 HydrophobicContact CB-CZ2 4.44Å; M119-W296 HydrophobicContact CB-CZ3 4.23Å; M119-W296 HydrophobicContact CG-CD2 4.32Å; M119-W296 HydrophobicContact CG-CE3 3.92Å; M119-W296 HydrophobicContact CG-CH2 4.01Å; M119-W296 HydrophobicContact CG-CZ2 4.4Å; M119-W296 HydrophobicContact CG-CZ3 3.76Å; D122-W296 HydrophobicContact CB-CH2 3.65Å; D122-W296 HydrophobicContact CB-CZ3 4.39Å; F289-W296 HydrophobicContact CD1-CE3 4.34Å; F289-W296 HydrophobicContact CE1-CB 4.19Å; F289-W296 AromaticContact CE1-CE3 3.96Å; F289-W296 HydrophobicContact CE1-CE3 3.96Å; F289-W296 HydrophobicContact CE2-CE3 4.24Å; F289-W296 HydrophobicContact CZ-CB 4.44Å; F289-W296 AromaticContact CZ-CE3 3.9Å; F289-W296 HydrophobicContact CZ-CE3 3.9Å; W296-Y298 AromaticContact CD1-CE2 3.9Å; W296-Y298 AromaticContact CD1-CZ 3.68Å; W296-Y298 AromaticContact NE1-CD1 3.94Å; W296-Y298 AromaticContact NE1-CE1 3.26Å; W296-Y298 VanDerWaalsContact NE1-CE1 3.26Å; W296-Y298 AromaticContact NE1-CE2 3.95Å; W296-Y298 AromaticContact NE1-CZ 3.26Å; W296-Y298 VanDerWaalsContact NE1-CZ 3.26Å; W296-Y298 PolarHBondContact NE1-OH 3.05Å
297D96.7Very high95.9Very high67 Ų6766.4 Ų66.436%0.35833%0.332SS..SBendtrans-106.7-0.6-173.656.410.5000113.6K115 V295 V299K115-D297 VanDerWaalsContact CE-OD1 3.31Å; K115-D297 WeakPolarHBondContact CE-OD1 3.38Å; K115-D297 IonicContact NZ-OD1 2.78Å; K115-D297 PolarHBondContact NZ-OD1 2.67Å; K115-D297 IonicContact NZ-OD2 2.73Å; K115-D297 PolarHBondContact NZ-OD2 2.93Å; V295-D297 VanDerWaalsContact C-N 3.3Å; V295-D297 HydrophobicContact CG1-CB 4.25Å; V295-D297 PolarHBondContact O-N 2.83Å; D297-V299 HydrophobicContact CB-CG2 4.07Å; D297-V299 PolarHBondContact O-N 2.83Å; D297-V299 WeakPolarHBondContact OD1-CB 3.38Å; D297-V299 PolarHBondContact OD1-N 3.07Å
298Y96.4Very high95.2Very high100 Ų10070.2 Ų70.239%0.39235%0.346SS..  trans58.722.3-171.6-52.7-82.5000114.1N155 W296 F300N155-Y298 HydrophobicContact CB-CD1 3.79Å; N155-Y298 HydrophobicContact CB-CG 3.94Å; N155-Y298 VanDerWaalsContact CG-CB 3.49Å; N155-Y298 WeakPolarHBondContact ND2-CB 3.38Å; W296-Y298 AromaticContact CD1-CE2 3.9Å; W296-Y298 AromaticContact CD1-CZ 3.68Å; W296-Y298 AromaticContact NE1-CD1 3.94Å; W296-Y298 AromaticContact NE1-CE1 3.26Å; W296-Y298 VanDerWaalsContact NE1-CE1 3.26Å; W296-Y298 AromaticContact NE1-CE2 3.95Å; W296-Y298 AromaticContact NE1-CZ 3.26Å; W296-Y298 VanDerWaalsContact NE1-CZ 3.26Å; W296-Y298 PolarHBondContact NE1-OH 3.05Å; Y298-F300 VanDerWaalsContact O-CD2 3.25Å; Y298-F300 WeakPolarHBondContact O-CD2 3.36Å; Y298-F300 PolarHBondContact O-N 2.96Å
299V96.9Very high94.5Very high38 Ų3871.8 Ų71.823%0.2336%0.36CS..  trans-88.694.5172.4-178.30000108.6M119 D297 T303 L304M119-V299 WeakPolarHBondContact CE-O 3.49Å; D297-V299 HydrophobicContact CB-CG2 4.07Å; D297-V299 PolarHBondContact O-N 2.83Å; D297-V299 WeakPolarHBondContact OD1-CB 3.38Å; D297-V299 PolarHBondContact OD1-N 3.07Å; V299-T303 HydrophobicContact CG1-CG2 4.31Å; V299-L304 HydrophobicContact CG1-CD1 4.41Å; V299-L304 HydrophobicContact CG1-CD2 3.58Å; V299-L304 HydrophobicContact CG1-CG 3.77Å
300F97.7Very high93.8Very high0 Ų074.1 Ų74.10%038%0.378CS..  trans-84.2168.3173.2-57.9-85000111.4T116 M119 L120 M148 Y298 W302 T303 L304T116-F300 HydrophobicContact CG2-CD1 4.13Å; M119-F300 HydrophobicContact CB-CD1 4.48Å; M119-F300 HydrophobicContact CB-CE1 3.72Å; M119-F300 HydrophobicContact CB-CZ 4.39Å; M119-F300 HydrophobicContact CE-CD1 3.66Å; M119-F300 HydrophobicContact CE-CE1 3.82Å; M119-F300 HydrophobicContact CE-CG 4.17Å; M119-F300 HydrophobicContact CE-CZ 4.44Å; L120-F300 HydrophobicContact CD2-CE1 4.11Å; L120-F300 HydrophobicContact CG-CE1 4.16Å; M148-F300 HydrophobicContact CE-CE2 4.08Å; M148-F300 HydrophobicContact CE-CZ 4.37Å; Y298-F300 VanDerWaalsContact O-CD2 3.25Å; Y298-F300 WeakPolarHBondContact O-CD2 3.36Å; Y298-F300 PolarHBondContact O-N 2.96Å; F300-W302 VanDerWaalsContact C-N 3.27Å; F300-W302 HydrophobicContact CB-CD2 3.62Å; F300-W302 HydrophobicContact CB-CE3 3.91Å; F300-W302 HydrophobicContact CB-CG 4.3Å; F300-W302 HydrophobicContact CB-CH2 3.63Å; F300-W302 HydrophobicContact CB-CZ2 3.33Å; F300-W302 HydrophobicContact CB-CZ3 3.91Å; F300-W302 AromaticContact CD1-CH2 3.47Å; F300-W302 HydrophobicContact CD1-CH2 3.47Å; F300-W302 VanDerWaalsContact CD1-CH2 3.47Å; F300-W302 AromaticContact CD1-CZ2 3.56Å; F300-W302 HydrophobicContact CD1-CZ2 3.56Å; F300-W302 HydrophobicContact CD1-CZ3 4.29Å; F300-W302 AromaticContact CD2-CE2 3.88Å; F300-W302 HydrophobicContact CD2-CH2 4.27Å; F300-W302 AromaticContact CD2-CZ2 3.48Å; F300-W302 HydrophobicContact CD2-CZ2 3.48Å; F300-W302 VanDerWaalsContact CD2-CZ2 3.48Å; F300-W302 HydrophobicContact CE1-CH2 4.14Å; F300-W302 HydrophobicContact CE1-CZ2 4.18Å; F300-W302 HydrophobicContact CE2-CZ2 4.12Å; F300-W302 HydrophobicContact CG-CD2 4.41Å; F300-W302 AromaticContact CG-CE2 3.64Å; F300-W302 AromaticContact CG-CH2 3.54Å; F300-W302 HydrophobicContact CG-CH2 3.54Å; F300-W302 AromaticContact CG-CZ2 3.16Å; F300-W302 HydrophobicContact CG-CZ2 3.16Å; F300-W302 HydrophobicContact CG-CZ3 4.3Å; F300-W302 HydrophobicContact CZ-CZ2 4.43Å; F300-W302 PolarHBondContact O-N 3.32Å; F300-T303 PolarHBondContact N-OG1 3Å; F300-T303 WeakPolarHBondContact O-CA 3.38Å; F300-T303 WeakPolarHBondContact O-CB 3.48Å; F300-T303 PolarHBondContact O-N 2.74Å; F300-L304 PolarHBondContact O-N 2.89Å
301D97.9Very high92.9Very high19 Ų1969.3 Ų69.310%0.10237%0.373CS..Hα-helixtrans-57.4-40.8-178.6-57.9-18.7000112.3C108 F112 T113 T116 T303 L304 L305C108-D301 HydrophobicContact CB-CB 4.47Å; F112-D301 WeakPolarHBondContact CA-OD2 3.3Å; F112-D301 WeakPolarHBondContact CB-OD2 3.34Å; F112-D301 HydrophobicContact CD1-CB 4.47Å; F112-D301 WeakPolarHBondContact CD1-OD2 3.28Å; T113-D301 WeakPolarHBondContact CB-OD1 3.38Å; T113-D301 WeakPolarHBondContact CG2-OD1 3.32Å; T113-D301 PolarHBondContact N-OD2 3.25Å; T113-D301 PolarHBondContact OG1-OD1 3.45Å; T113-D301 PolarHBondContact OG1-OD2 3.38Å; T116-D301 WeakPolarHBondContact CB-OD2 3.43Å; T116-D301 PolarHBondContact OG1-N 3.02Å; T116-D301 PolarHBondContact OG1-OD1 2.85Å; T116-D301 PolarHBondContact OG1-OD2 3.46Å; D301-T303 VanDerWaalsContact C-N 3.28Å; D301-T303 PolarHBondContact O-N 2.71Å; D301-L304 PolarHBondContact O-N 3.32Å; D301-L305 PolarHBondContact O-N 3.37Å; D301-L305 VanDerWaalsContact O-N 3.13Å
302W97Very high91.9Very high13 Ų1370.1 Ų70.15%0.04937%0.369CS..Hα-helixtrans-69.2-25.3177.456.782.6000113.1L101 L104 F107 F112 T116 L120 M148 F300 R306L101-W302 HydrophobicContact CD2-CH2 4.34Å; L104-W302 HydrophobicContact CB-CD2 4.24Å; L104-W302 HydrophobicContact CB-CE3 3.87Å; L104-W302 HydrophobicContact CB-CZ3 4.29Å; L104-W302 HydrophobicContact CD1-CD2 3.84Å; L104-W302 HydrophobicContact CD1-CE3 4.04Å; L104-W302 HydrophobicContact CD1-CG 4.41Å; L104-W302 HydrophobicContact CD1-CH2 4.15Å; L104-W302 HydrophobicContact CD1-CZ2 3.92Å; L104-W302 HydrophobicContact CD1-CZ3 4.2Å; L104-W302 HydrophobicContact CD2-CB 3.89Å; L104-W302 HydrophobicContact CD2-CD2 3.95Å; L104-W302 HydrophobicContact CD2-CE3 4.43Å; L104-W302 HydrophobicContact CD2-CG 3.7Å; L104-W302 HydrophobicContact CG-CD2 4.23Å; L104-W302 HydrophobicContact CG-CE3 4.34Å; L104-W302 HydrophobicContact CG-CG 4.49Å; F107-W302 HydrophobicContact CD1-CB 3.92Å; F107-W302 HydrophobicContact CE1-CB 4.1Å; F112-W302 AromaticContact CE1-CE3 3.89Å; F112-W302 HydrophobicContact CE1-CE3 3.89Å; F112-W302 AromaticContact CE1-CZ3 3.87Å; F112-W302 HydrophobicContact CE1-CZ3 3.87Å; F112-W302 HydrophobicContact CE2-CZ3 4.19Å; F112-W302 HydrophobicContact CZ-CE3 4.04Å; F112-W302 AromaticContact CZ-CZ3 3.67Å; F112-W302 HydrophobicContact CZ-CZ3 3.67Å; T116-W302 HydrophobicContact CG2-CH2 4.19Å; T116-W302 HydrophobicContact CG2-CZ3 3.72Å; L120-W302 HydrophobicContact CD1-CH2 4.07Å; L120-W302 HydrophobicContact CD1-CZ3 4.3Å; L120-W302 HydrophobicContact CD2-CH2 4.07Å; L120-W302 HydrophobicContact CG-CH2 4.32Å; M148-W302 HydrophobicContact CE-CZ2 4.07Å; M148-W302 HydrophobicContact CG-CZ2 4.23Å; M148-W302 HydrophobicContact SD-CZ2 4.03Å; F300-W302 VanDerWaalsContact C-N 3.27Å; F300-W302 HydrophobicContact CB-CD2 3.62Å; F300-W302 HydrophobicContact CB-CE3 3.91Å; F300-W302 HydrophobicContact CB-CG 4.3Å; F300-W302 HydrophobicContact CB-CH2 3.63Å; F300-W302 HydrophobicContact CB-CZ2 3.33Å; F300-W302 HydrophobicContact CB-CZ3 3.91Å; F300-W302 AromaticContact CD1-CH2 3.47Å; F300-W302 HydrophobicContact CD1-CH2 3.47Å; F300-W302 VanDerWaalsContact CD1-CH2 3.47Å; F300-W302 AromaticContact CD1-CZ2 3.56Å; F300-W302 HydrophobicContact CD1-CZ2 3.56Å; F300-W302 HydrophobicContact CD1-CZ3 4.29Å; F300-W302 AromaticContact CD2-CE2 3.88Å; F300-W302 HydrophobicContact CD2-CH2 4.27Å; F300-W302 AromaticContact CD2-CZ2 3.48Å; F300-W302 HydrophobicContact CD2-CZ2 3.48Å; F300-W302 VanDerWaalsContact CD2-CZ2 3.48Å; F300-W302 HydrophobicContact CE1-CH2 4.14Å; F300-W302 HydrophobicContact CE1-CZ2 4.18Å; F300-W302 HydrophobicContact CE2-CZ2 4.12Å; F300-W302 HydrophobicContact CG-CD2 4.41Å; F300-W302 AromaticContact CG-CE2 3.64Å; F300-W302 AromaticContact CG-CH2 3.54Å; F300-W302 HydrophobicContact CG-CH2 3.54Å; F300-W302 AromaticContact CG-CZ2 3.16Å; F300-W302 HydrophobicContact CG-CZ2 3.16Å; F300-W302 HydrophobicContact CG-CZ3 4.3Å; F300-W302 HydrophobicContact CZ-CZ2 4.43Å; F300-W302 PolarHBondContact O-N 3.32Å; W302-R306 WeakPolarHBondContact O-CB 3.47Å; W302-R306 VanDerWaalsContact O-CG 3.29Å; W302-R306 WeakPolarHBondContact O-CG 3.28Å; W302-R306 PolarHBondContact O-N 2.78Å
303T94.3Very high90.8Very high33 Ų3372.8 Ų72.820%0.20238%0.38CS..Hα-helixtrans-64.2-45.5174.2-54.10000109.8V299 F300 D301 R306 Q307V299-T303 HydrophobicContact CG1-CG2 4.31Å; F300-T303 PolarHBondContact N-OG1 3Å; F300-T303 WeakPolarHBondContact O-CA 3.38Å; F300-T303 WeakPolarHBondContact O-CB 3.48Å; F300-T303 PolarHBondContact O-N 2.74Å; D301-T303 VanDerWaalsContact C-N 3.28Å; D301-T303 PolarHBondContact O-N 2.71Å; T303-R306 PolarHBondContact O-N 2.74Å; T303-Q307 WeakPolarHBondContact O-CG 3.26Å; T303-Q307 PolarHBondContact O-N 3.39Å; T303-Q307 VanDerWaalsContact O-N 3.12Å
304L91.2Very high89.6Confident80 Ų8074 Ų7442%0.41937%0.374SS..Hα-helixtrans-66.8-42.3178.6-63.1175.1000112.2V299 F300 D301 Q307 K308V299-L304 HydrophobicContact CG1-CD1 4.41Å; V299-L304 HydrophobicContact CG1-CD2 3.58Å; V299-L304 HydrophobicContact CG1-CG 3.77Å; F300-L304 PolarHBondContact O-N 2.89Å; D301-L304 PolarHBondContact O-N 3.32Å; L304-Q307 PolarHBondContact O-N 2.93Å; L304-K308 WeakPolarHBondContact O-CG 3.27Å; L304-K308 PolarHBondContact O-N 3.1Å
305L91Very high88.4Confident65 Ų6575.7 Ų75.734%0.3438%0.383SS..Hα-helixtrans-64.7-39.8178.4-72175.2000112.3F107 C108 D301 K308 A309F107-L305 HydrophobicContact CD1-CD1 4.23Å; F107-L305 HydrophobicContact CE1-CB 3.65Å; F107-L305 HydrophobicContact CE1-CD1 4.08Å; F107-L305 HydrophobicContact CZ-CB 4.02Å; C108-L305 HydrophobicContact CB-CD1 4.21Å; D301-L305 PolarHBondContact O-N 3.37Å; D301-L305 VanDerWaalsContact O-N 3.13Å; L305-K308 PolarHBondContact O-N 3.33Å; L305-A309 WeakPolarHBondContact O-CB 3.5Å; L305-A309 PolarHBondContact O-N 3.3Å
306R89.3Confident87.1Confident116 Ų11675.9 Ų75.944%0.43838%0.376SS..Hα-helixtrans-64.1-43.1174.8-75.2178.5179.7-151.20.2112.1F107 W302 T303 K308 A309 S310F107-R306 HydrophobicContact CE1-CG 4.24Å; F107-R306 HydrophobicContact CZ-CG 4.22Å; W302-R306 WeakPolarHBondContact O-CB 3.47Å; W302-R306 VanDerWaalsContact O-CG 3.29Å; W302-R306 WeakPolarHBondContact O-CG 3.28Å; W302-R306 PolarHBondContact O-N 2.78Å; T303-R306 PolarHBondContact O-N 2.74Å; R306-K308 VanDerWaalsContact C-N 3.33Å; R306-K308 PolarHBondContact O-N 3.25Å; R306-A309 PolarHBondContact O-N 3.32Å; R306-S310 PolarHBondContact O-N 3.48Å; R306-S310 PolarHBondContact O-OG 2.85Å
307Q85.4Confident85.9Confident116 Ų11676.9 Ų76.954%0.54239%0.385SS..Hα-helixtrans-60.9-42.1175.9-72.9171.6-6.200111.8T303 L304 A311T303-Q307 WeakPolarHBondContact O-CG 3.26Å; T303-Q307 PolarHBondContact O-N 3.39Å; T303-Q307 VanDerWaalsContact O-N 3.12Å; L304-Q307 PolarHBondContact O-N 2.93Å; Q307-A311 WeakPolarHBondContact O-CB 3.35Å; Q307-A311 PolarHBondContact O-N 2.93Å
308K84.1Confident84.6Confident139 Ų13978.8 Ų78.860%0.60439%0.392SS*.Hα-helixtrans-63.3-44.9174.7-72.7179.8179.4-175.30112.2L304 L305 R306 A311 I312L304-K308 WeakPolarHBondContact O-CG 3.27Å; L304-K308 PolarHBondContact O-N 3.1Å; L305-K308 PolarHBondContact O-N 3.33Å; R306-K308 VanDerWaalsContact C-N 3.33Å; R306-K308 PolarHBondContact O-N 3.25Å; K308-A311 PolarHBondContact O-N 3Å; K308-I312 WeakPolarHBondContact O-CD1 3.49Å; K308-I312 VanDerWaalsContact O-CG1 3.28Å; K308-I312 WeakPolarHBondContact O-CG1 3.49Å; K308-I312 PolarHBondContact O-N 3.11Å
309A83.9Confident83.3Confident42 Ų4277.7 Ų77.735%0.34739%0.39SS..Hα-helixtrans-60.7-47.5177.700000111.7L305 R306 A311 I312 E313L305-A309 WeakPolarHBondContact O-CB 3.5Å; L305-A309 PolarHBondContact O-N 3.3Å; R306-A309 PolarHBondContact O-N 3.32Å; A309-A311 VanDerWaalsContact C-N 3.34Å; A309-A311 PolarHBondContact O-N 2.63Å; A309-I312 PolarHBondContact O-N 3.25Å; A309-E313 WeakPolarHBondContact O-CG 3.4Å; A309-E313 PolarHBondContact O-N 3.32Å
310S82.1Confident81.9Confident59 Ų5981.1 Ų81.141%0.41340%0.403SS..Hα-helixtrans-64.2-36.3177.3-60.80000112.9R306 E313 H314R306-S310 PolarHBondContact O-N 3.48Å; R306-S310 PolarHBondContact O-OG 2.85Å; S310-E313 PolarHBondContact O-N 3.43Å; S310-H314 WeakPolarHBondContact O-CB 2.95Å; S310-H314 PolarHBondContact O-N 3Å; S310-H314 PolarHBondContact O-ND1 3.18Å; S310-H314 VanDerWaalsContact O-ND1 3.13Å
311A79.4Confident80.5Confident60 Ų6086.1 Ų86.150%0.49643%0.427SS..Hα-helixtrans-65.4-39.8175.100000112.3Q307 K308 A309 H314 H315Q307-A311 WeakPolarHBondContact O-CB 3.35Å; Q307-A311 PolarHBondContact O-N 2.93Å; K308-A311 PolarHBondContact O-N 3Å; A309-A311 VanDerWaalsContact C-N 3.34Å; A309-A311 PolarHBondContact O-N 2.63Å; A311-H314 PolarHBondContact O-N 3.08Å; A311-H315 WeakPolarHBondContact O-CB 3.47Å; A311-H315 PolarHBondContact O-N 3.23Å
312I77.9Confident78.8Confident99 Ų9991.4 Ų91.451%0.50845%0.451SS..Hα-helixtrans-66-45.1175.6-68.6164000110.7K308 A309 H314 H315 H316K308-I312 WeakPolarHBondContact O-CD1 3.49Å; K308-I312 VanDerWaalsContact O-CG1 3.28Å; K308-I312 WeakPolarHBondContact O-CG1 3.49Å; K308-I312 PolarHBondContact O-N 3.11Å; A309-I312 PolarHBondContact O-N 3.25Å; I312-H314 VanDerWaalsContact C-N 3.34Å; I312-H314 PolarHBondContact O-N 3.12Å; I312-H315 PolarHBondContact O-N 3.02Å; I312-H316 PolarHBondContact O-CD2 2.79Å; I312-H316 PolarHBondContact O-N 3.24Å
313E74.7Confident77Confident127 Ų12797.7 Ų97.759%0.59348%0.481SS*.Hα-helixtrans-59.6-43175.9-73.9172.618000111.8A309 S310 H316 H317A309-E313 WeakPolarHBondContact O-CG 3.4Å; A309-E313 PolarHBondContact O-N 3.32Å; S310-E313 PolarHBondContact O-N 3.43Å; E313-H316 PolarHBondContact O-N 2.7Å; E313-H317 WeakPolarHBondContact O-CB 3.3Å; E313-H317 PolarHBondContact O-N 3.12Å
314H72.9Confident75.2Confident128 Ų128104.2 Ų104.259%0.59351%0.509SS*.Hα-helixtrans-64.3-40.4175.7-78.633.8000112.1S310 A311 I312 H317 Q318S310-H314 WeakPolarHBondContact O-CB 2.95Å; S310-H314 PolarHBondContact O-N 3Å; S310-H314 PolarHBondContact O-ND1 3.18Å; S310-H314 VanDerWaalsContact O-ND1 3.13Å; A311-H314 PolarHBondContact O-N 3.08Å; I312-H314 VanDerWaalsContact C-N 3.34Å; I312-H314 PolarHBondContact O-N 3.12Å; H314-H317 PolarHBondContact O-N 2.83Å; H314-Q318 WeakPolarHBondContact O-CG 3.44Å; H314-Q318 PolarHBondContact O-N 3.47Å
315H73.5Confident73.4Confident104 Ų104104.2 Ų104.248%0.48152%0.516SS..Hα-helixtrans-66.9-42177.7-165.760.9000112.2A311 I312 H317 Q318 Q319A311-H315 WeakPolarHBondContact O-CB 3.47Å; A311-H315 PolarHBondContact O-N 3.23Å; I312-H315 PolarHBondContact O-N 3.02Å; H315-H317 VanDerWaalsContact C-N 3.35Å; H315-H317 PolarHBondContact O-N 3.33Å; H315-Q318 PolarHBondContact O-N 3.32Å; H315-Q319 PolarHBondContact CD2-NE2 2.95Å; H315-Q319 PolarHBondContact NE2-NE2 3.19Å; H315-Q319 WeakPolarHBondContact O-CG 3.31Å; H315-Q319 PolarHBondContact O-N 3.4Å
316H70.8Confident71.1Confident102 Ų102110.5 Ų110.547%0.47254%0.536SS..Hα-helixtrans-63.2-39.7173.6-82.6-62.8000112.5I312 E313 Q319 Q320I312-H316 PolarHBondContact O-CD2 2.79Å; I312-H316 PolarHBondContact O-N 3.24Å; E313-H316 PolarHBondContact O-N 2.7Å; H316-Q319 PolarHBondContact O-N 3.28Å; H316-Q320 WeakPolarHBondContact O-CG 3.28Å; H316-Q320 PolarHBondContact O-N 3.34Å
317H71.4Confident69.2Low107 Ų107109.9 Ų109.950%0.49555%0.547SS..Hα-helixtrans-66.5-38.4177.6-158.161.9000111.9E313 H314 H315 Q320 Q321E313-H317 WeakPolarHBondContact O-CB 3.3Å; E313-H317 PolarHBondContact O-N 3.12Å; H314-H317 PolarHBondContact O-N 2.83Å; H315-H317 VanDerWaalsContact C-N 3.35Å; H315-H317 PolarHBondContact O-N 3.33Å; H317-Q320 PolarHBondContact O-N 2.75Å; H317-Q321 PolarHBondContact CD2-NE2 3.41Å; H317-Q321 PolarHBondContact NE2-NE2 3.27Å; H317-Q321 WeakPolarHBondContact O-CG 3.46Å; H317-Q321 PolarHBondContact O-N 2.97Å
318Q69.7Low67.2Low108 Ų108113.3 Ų113.351%0.50557%0.568SS.*Hα-helixtrans-65.5-41.5173.5-74.1176.83.400112.6H314 H315 Q321 Q322H314-Q318 WeakPolarHBondContact O-CG 3.44Å; H314-Q318 PolarHBondContact O-N 3.47Å; H315-Q318 PolarHBondContact O-N 3.32Å; Q318-Q321 PolarHBondContact O-N 3.26Å; Q318-Q322 WeakPolarHBondContact O-CG 3.14Å; Q318-Q322 PolarHBondContact O-N 3.39Å
319Q67.9Low65.1Low76 Ų76110.9 Ų110.936%0.35557%0.569SS.*Hα-helixtrans-64.8-39.4176.1-72.9-176.711.900112.2H315 H316 Q322 Q323H315-Q319 PolarHBondContact CD2-NE2 2.95Å; H315-Q319 PolarHBondContact NE2-NE2 3.19Å; H315-Q319 WeakPolarHBondContact O-CG 3.31Å; H315-Q319 PolarHBondContact O-N 3.4Å; H316-Q319 PolarHBondContact O-N 3.28Å; Q319-Q322 PolarHBondContact O-N 3.49Å; Q319-Q323 WeakPolarHBondContact O-CG 3.5Å; Q319-Q323 PolarHBondContact O-N 3.4Å
320Q67.5Low63.1Low110 Ų110117.8 Ų117.851%0.51459%0.594SS.*Hα-helixtrans-65.4-39175.8-74.7176.812.200112H316 H317 Q323 Q324H316-Q320 WeakPolarHBondContact O-CG 3.28Å; H316-Q320 PolarHBondContact O-N 3.34Å; H317-Q320 PolarHBondContact O-N 2.75Å; Q320-Q323 PolarHBondContact O-N 2.71Å; Q320-Q324 WeakPolarHBondContact O-CG 3.22Å; Q320-Q324 PolarHBondContact O-N 3.01Å; Q320-Q324 VanDerWaalsContact O-N 3.11Å
321Q68.8Low61.1Low106 Ų106125 Ų12550%0.49562%0.618SS.*Hα-helixtrans-67.4-35.5174.9-71.5179.116.400112.4H317 Q318 S325H317-Q321 PolarHBondContact CD2-NE2 3.41Å; H317-Q321 PolarHBondContact NE2-NE2 3.27Å; H317-Q321 WeakPolarHBondContact O-CG 3.46Å; H317-Q321 PolarHBondContact O-N 2.97Å; Q318-Q321 PolarHBondContact O-N 3.26Å; Q321-S325 PolarHBondContact O-N 3.01Å; Q321-S325 PolarHBondContact O-OG 3.1Å
322Q61.8Low59.2Low129 Ų129129.1 Ų129.160%0.60364%0.638SS**Hα-helixtrans-71.5-32.8175.2-74.5177.515.500113Q318 Q319 S325Q318-Q322 WeakPolarHBondContact O-CG 3.14Å; Q318-Q322 PolarHBondContact O-N 3.39Å; Q319-Q322 PolarHBondContact O-N 3.49Å; Q322-S325 WeakPolarHBondContact CA-OG 3.03Å; Q322-S325 PolarHBondContact O-OG 3.18Å
323Q58.7Low57.7Low145 Ų145130 Ų13068%0.67865%0.652SS**Hα-helixtrans-76.4-25.8175.8-72.6176.12200113.2Q319 Q320 S325Q319-Q323 WeakPolarHBondContact O-CG 3.5Å; Q319-Q323 PolarHBondContact O-N 3.4Å; Q320-Q323 PolarHBondContact O-N 2.71Å; Q323-S325 VanDerWaalsContact C-N 3.34Å
324Q58.2Low55.9Low170 Ų170127.7 Ų127.779%0.79466%0.663SS**THydrogen-bonded Turntrans-84.1-5175.1-73.7179.80.900114.1Q320Q320-Q324 WeakPolarHBondContact O-CG 3.22Å; Q320-Q324 PolarHBondContact O-N 3.01Å; Q320-Q324 VanDerWaalsContact O-N 3.11Å
325S52.2Low54.3Low81 Ų81129.4 Ų129.457%0.56668%0.676SS**THydrogen-bonded Turntrans-105.515-176.942.10000115.1Q321 Q322 Q323 P327Q321-S325 PolarHBondContact O-N 3.01Å; Q321-S325 PolarHBondContact O-OG 3.1Å; Q322-S325 WeakPolarHBondContact CA-OG 3.03Å; Q322-S325 PolarHBondContact O-OG 3.18Å; Q323-S325 VanDerWaalsContact C-N 3.34Å; S325-P327 VanDerWaalsContact O-CD 3.3Å; S325-P327 WeakPolarHBondContact O-CD 3.28Å
326Y43.1Very low52.8Low196 Ų196133.5 Ų133.577%0.76970%0.696SS**  trans-83.3113.8165.8-76.8-81.6000110.8
327P50.2Low51.1Low103 Ų103132 Ų13267%0.66971%0.708SS**  trans-71.9131.6171.5-8.125.8000109.6S325 S329S325-P327 VanDerWaalsContact O-CD 3.3Å; S325-P327 WeakPolarHBondContact O-CD 3.28Å; P327-S329 VanDerWaalsContact C-N 3.27Å; P327-S329 PolarHBondContact O-N 3.18Å
328L42.7Very low49.5Very low188 Ų188132.6 Ų132.698%0.98472%0.723SS**  trans-63.489.9158.9-100.7109.8000108.5
329S40.9Very low48.2Very low89 Ų89133.2 Ų133.262%0.62273%0.73SS**  trans-159.493.2163.9510000111.4P327P327-S329 VanDerWaalsContact C-N 3.27Å; P327-S329 PolarHBondContact O-N 3.18Å
330Q39.9Very low47Very low187 Ų187137 Ų13787%0.87475%0.747SS**  trans176.687.1141.1-97.9167.418.500109.7
331F41.9Very low45.6Very low210 Ų210143.2 Ų143.292%0.92177%0.766SS**  trans-143.186.3154.1-98.3-77.7000107.8
332T39.4Very low44.2Very low147 Ų147142.2 Ų142.290%0.90278%0.776SS**  trans-142.692.5157.347.20000108.2
333S45.4Very low43.5Very low116 Ų116141.1 Ų141.181%0.81178%0.78SS**  trans-104.5136.1157.357.90000107.9
334G36.4Very low42.7Very low79 Ų79140.2 Ų140.281%0.81478%0.784SS**  trans-73162.4-151.500000117
335N41.1Very low41.9Very low164 Ų164137.6 Ų137.688%0.87778%0.78SS**  trans-152.5140.5141.3-144.110000110.4
336E40Very low41.4Very low190 Ų190142.7 Ų142.789%0.88880%0.795SS**  trans-73.1157.1-172.1-58.7173.1136.600112.9
337G36.1Very low41.4Very low71 Ų71137 Ų13773%0.73279%0.788SS**  trans142.2102.3155.600000116.2
338C38Very low41Very low120 Ų120140.7 Ų140.781%0.81180%0.802SS**  trans22.5141.6140.3-590000119
339D41.2Very low40.7Very low121 Ų121134.9 Ų134.965%0.64779%0.787SS**  cis-174.316315.9-127.2-35.6000109.4
340H43.9Very low40.8Very low155 Ų155137.2 Ų137.272%0.71880%0.798SS**  trans75.9113.3148.9-65.3-35.9000123.9
341R38Very low40.6Very low240 Ų240140.7 Ų140.791%0.90680%0.803SS**  93.5100.3128.7-101.3177.7174.5-175.8-1.6119.9
342A39.9Very low40.4Very low86 Ų86134.6 Ų134.671%0.71180%0.799SS**  trans-89.4-164.1149.200000109.6
343P46.6Very low40.3Very low106 Ų106134.8 Ų134.869%0.68880%0.801SS**  cis-146.1-169.4-6.427.3-0.2000115.8
344T41.1Very low40Very low125 Ų125132.7 Ų132.777%0.76780%0.797SS**  trans83.2136.1153.768.30000117.1
345T43Very low40.1Very low115 Ų115136 Ų13671%0.70680%0.802SS**  cis-160.1145.841.435.20000112.9
346E41.3Very low40.2Very low188 Ų188133.8 Ų133.888%0.87980%0.799SS**  trans33.6151.5132.9-46.6-173.6142.800121.1
347A43.1Very low40Very low76 Ų76128.2 Ų128.263%0.62879%0.793SS**  cis-169.8150.524.400000111.9
348L41.7Very low39.9Very low181 Ų181128.7 Ų128.795%0.94880%0.798SS**  trans41.3136.8142.7-77.2100.9000124.3
349G36.1Very low40Very low66 Ų66130.6 Ų130.668%0.6880%0.798SS**  trans160.175.714200000120.4
350T42.6Very low40Very low139 Ų139132.2 Ų132.285%0.85381%0.805SS**  trans45.4115.1139.546.80000124.5
351R35.5Very low40Very low259 Ų259129.7 Ų129.798%0.97780%0.803SS**  24.1131.1129.4-77.3-178.8170.8179.9-2.7121.3
352G38.2Very low40.1Very low82 Ų82124.2 Ų124.285%0.84580%0.798SS**  trans-167118.4153.500000112.6
353T38.3Very low39.8Very low152 Ų152123 Ų12393%0.93379%0.794SS**  trans-76145.2-174.246.20000113.8
354G38.2Very low39.2Very low71 Ų71124.1 Ų124.173%0.73280%0.802SS**  trans-157.6104.5172.800000113
355T38Very low38.7Very low149 Ų149124.9 Ų124.991%0.91481%0.806SS**  trans-44.6133.4175.445.30000115.6
356S43.1Very low38.1Very low117 Ų117125.5 Ų125.582%0.81881%0.81SS**  trans-133.7124.3160.7410000110.2
357G37.3Very low37.4Very low74 Ų74121.7 Ų121.776%0.76380%0.804SS**  trans-69.9137.9-173.700000112.8I359G357-I359 PolarHBondContact O-N 2.69Å
358G32.8Very low37Very low81 Ų81123.2 Ų123.284%0.83581%0.806SS**  trans-68.6117.317500000111.5
359I40.5Very low36.5Very low160 Ų160121.3 Ų121.382%0.82180%0.796SS**  trans-93.5112164.5-64.5173.6000106.6G357 P361G357-I359 PolarHBondContact O-N 2.69Å; I359-P361 WeakPolarHBondContact O-CD 3.47Å
360I40.4Very low36.4Very low155 Ų155119.6 Ų119.680%0.79578%0.776SS**PPolyproline II helixtrans-79119.2168.3-61.2170.4000107
361P45Very low35.8Very low101 Ų101114.8 Ų114.866%0.65675%0.75SS**PPolyproline II helixtrans-78.6139.1169.430.9-29.2000109.6I359I359-P361 WeakPolarHBondContact O-CD 3.47Å
362P40.4Very low35.5Very low126 Ų126103.4 Ų103.482%0.81871%0.711SS**PPolyproline II helixtrans-69.9136.7168.530.9-31.8000109.1
363G32.6Very low35.2Very low61 Ų61100.2 Ų100.263%0.62968%0.677SS**PPolyproline II helixtrans-61.2168.4-177.200000114.5T365G363-T365 PolarHBondContact O-N 3.18Å
364P33.4Very low34.7Very low129 Ų12996.8 Ų96.884%0.83866%0.656SS**PPolyproline II helixtrans-68.5116.9-16927.9-32.5000110.8T366P364-T366 PolarHBondContact O-N 2.8Å
365T32.1Very low34.3Very low140 Ų14094.9 Ų94.986%0.85963%0.631SS**  trans-69.5110.3162.140.60000108.1G363 S367G363-T365 PolarHBondContact O-N 3.18Å; T365-S367 PolarHBondContact O-N 3.04Å; T365-S367 VanDerWaalsContact O-N 3.15Å
366T29.5Very low33.6Very low129 Ų12993.6 Ų93.679%0.79162%0.623SS**  trans-60.3115.5172.435.40000109.1P364 T368P364-T366 PolarHBondContact O-N 2.8Å; T366-T368 PolarHBondContact O-N 3.41Å
367S27.6Very low33Very low107 Ų10792 Ų9275%0.74860%0.601SS**  trans-65.899.3176.669.30000109.1T365 N369T365-S367 PolarHBondContact O-N 3.04Å; T365-S367 VanDerWaalsContact O-N 3.15Å; S367-N369 PolarHBondContact O-N 3.3Å; S367-N369 VanDerWaalsContact O-N 3.11Å
368T33.6Very low32.6Very low109 Ų10995.6 Ų95.667%0.66960%0.598SS**  trans-68.6108.2164.944.80000107.8T366 A370T366-T368 PolarHBondContact O-N 3.41Å; T368-A370 VanDerWaalsContact C-N 3.31Å; T368-A370 PolarHBondContact O-N 3.43Å
369N31.8Very low32.6Very low140 Ų14096.3 Ų96.375%0.74959%0.587SS**  trans-5796.8165.9-83.5-23.9000108.6S367 A371S367-N369 PolarHBondContact O-N 3.3Å; S367-N369 VanDerWaalsContact O-N 3.11Å; N369-A371 VanDerWaalsContact C-N 3.27Å; N369-A371 PolarHBondContact O-N 2.94Å
370A32.9Very low32.2Very low30 Ų3092.9 Ų92.925%0.24857%0.574CS.*  trans-67.591.6162.300000106.9T368T368-A370 VanDerWaalsContact C-N 3.31Å; T368-A370 PolarHBondContact O-N 3.43Å
371A30.7Very low31.8Very low39 Ų3989.5 Ų89.532%0.32256%0.562SS.*  trans-70.6130.8167.400000107.4P99 D103 N369P99-A371 HydrophobicContact CB-CB 4.09Å; D103-A371 HydrophobicContact CB-CB 4.26Å; N369-A371 VanDerWaalsContact C-N 3.27Å; N369-A371 PolarHBondContact O-N 2.94Å
372A29.8Very low31Very low19 Ų1988.8 Ų88.816%0.15756%0.557CS.*  trans-111.114017900000110.3I24 T374I24-A372 HydrophobicContact CB-CB 3.29Å; I24-A372 HydrophobicContact CD1-CB 4.02Å; I24-A372 HydrophobicContact CG1-CB 3.54Å; I24-A372 WeakPolarHBondContact O-CB 3.42Å; A372-T374 PolarHBondContact O-N 2.99Å
373A30.5Very low30.4Very low15 Ų1586.5 Ų86.512%0.12454%0.54CS..  trans-43.7104.5177.700000110.4
374T29.1Very low30.2Very low80 Ų8088.2 Ų88.249%0.49153%0.534SS..BIsolated β-bridgetrans-98.489162.730.90000106.3A372 V376A372-T374 PolarHBondContact O-N 2.99Å; T374-V376 PolarHBondContact O-N 3.13Å
375S28.3Very low30Very low31 Ų3185.3 Ų85.322%0.21751%0.513CS..  trans-70.279.4167.2165.90000108.5K377S375-K377 VanDerWaalsContact C-N 3.35Å; S375-K377 PolarHBondContact O-N 2.75Å; S375-K377 VanDerWaalsContact O-N 3.14Å
376V24.9Very low29.8Very low122 Ų12281.1 Ų81.174%0.73949%0.486SS*.  trans-76.793.2161.7-176.30000106.4T374 E378T374-V376 PolarHBondContact O-N 3.13Å; V376-E378 PolarHBondContact O-N 2.76Å
377K30.3Very low29.9Very low83 Ų8377.1 Ų77.136%0.36146%0.46SS..  trans-74.5112170.2-75.9-171.4177.3-173.40108.5D140 T188 S375D140-K377 IonicContact OD2-NZ 3.19Å; T188-K377 WeakPolarHBondContact OG1-CE 3.5Å; S375-K377 VanDerWaalsContact C-N 3.35Å; S375-K377 PolarHBondContact O-N 2.75Å; S375-K377 VanDerWaalsContact O-N 3.14Å
378E29.1Very low30.1Very low150 Ų15074.4 Ų74.470%0.70143%0.434SS*.  trans-66.30156.1-68-178.214000112.9R190 K236 V376R190-E378 IonicContact NH2-OE2 3.66Å; R190-E378 PolarHBondContact NH2-OE2 3.17Å; K236-E378 PolarHBondContact NZ-OXT 3.37Å; V376-E378 PolarHBondContact O-N 2.76Å

Retrieved 378 of 378 residues in 722.4 ms (Link to these results)

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