A0A3Q0KSZ5_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KSZ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 681 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
1M52.1Low86.4Confident237 Ų23786.4 Ų86.4100%1.16742%0.418SS*.  0145.80-64.4170-179.100107.6
2E72.4Confident87.2Confident91 Ų9182.5 Ų82.543%0.42542%0.417SS..  trans-67136.1163.8-63.2-177.3132.400108.7R4 R10E2-R4 IonicContact OE2-CZ 3.51Å; E2-R4 IonicContact OE2-NE 2.87Å; E2-R4 PolarHBondContact OE2-NE 3.2Å; E2-R4 IonicContact OE2-NH2 2.88Å; E2-R4 PolarHBondContact OE2-NH2 3.45Å; E2-R10 VanDerWaalsContact CD-CD 3.43Å; E2-R10 WeakPolarHBondContact OE1-CD 3.5Å; E2-R10 IonicContact OE1-CZ 2.74Å; E2-R10 IonicContact OE1-NE 3.72Å; E2-R10 IonicContact OE1-NH1 2.7Å; E2-R10 PolarHBondContact OE1-NH1 3.45Å
3L84.5Confident87.7Confident123 Ų12386.1 Ų86.164%0.64442%0.423SS*.  trans-74.1128171.5-68.8174.7000108.9L11L3-L11 HydrophobicContact CB-CB 3.98Å; L3-L11 HydrophobicContact CB-CD2 4.25Å; L3-L11 HydrophobicContact CD1-CD2 4.07Å; L3-L11 PolarHBondContact O-N 3.28Å
4R88.7Confident88.2Confident134 Ų13486.9 Ų86.951%0.50642%0.423SS..EExtended strand (participates in β ladder)trans-128.5148.4-179.4-64.5-176.1-178.4-173.10.1110.6E2 Y9E2-R4 IonicContact OE2-CZ 3.51Å; E2-R4 IonicContact OE2-NE 2.87Å; E2-R4 PolarHBondContact OE2-NE 3.2Å; E2-R4 IonicContact OE2-NH2 2.88Å; E2-R4 PolarHBondContact OE2-NH2 3.45Å; R4-Y9 CarbonylContact C-O 3.46Å; R4-Y9 VanDerWaalsContact CA-O 3.29Å; R4-Y9 WeakPolarHBondContact CA-O 3.49Å
5V89.7Confident88.5Confident10 Ų1084.2 Ų84.26%0.06141%0.411CS..EExtended strand (participates in β ladder)trans-128.1134.5-175.2165.80000108.6N7 K8 Y9 W70 E74 V79 V81V5-N7 PolarHBondContact O-N 3.27Å; V5-N7 VanDerWaalsContact O-N 3.12Å; V5-K8 PolarHBondContact O-N 2.96Å; V5-Y9 PolarHBondContact N-O 3.3Å; V5-Y9 PolarHBondContact O-N 2.93Å; V5-W70 HydrophobicContact CG1-CE3 3.86Å; V5-W70 HydrophobicContact CG1-CH2 4.16Å; V5-W70 HydrophobicContact CG1-CZ3 3.39Å; V5-E74 HydrophobicContact CG1-CG 4.41Å; V5-V79 HydrophobicContact CG1-CB 4.23Å; V5-V79 HydrophobicContact CG1-CG1 3.5Å; V5-V79 HydrophobicContact CG2-CG1 4.37Å; V5-V81 HydrophobicContact CG1-CG2 4.24Å
6G89.2Confident88.5Confident21 Ų2179.8 Ų79.822%0.21639%0.393CS..THydrogen-bonded Turntrans58.423.7-178.800000113.4K8 E74G6-K8 PolarHBondContact O-N 3.47Å; G6-E74 VanDerWaalsContact CA-OE1 3.26Å; G6-E74 WeakPolarHBondContact CA-OE1 3.35Å; G6-E74 PolarHBondContact N-OE1 3.46Å
7N90Very high88.3Confident147 Ų14779.1 Ų79.179%0.78640%0.398SS*.THydrogen-bonded Turntrans52.66.6-166.1-66.3-43000116.3V5V5-N7 PolarHBondContact O-N 3.27Å; V5-N7 VanDerWaalsContact O-N 3.12Å
8K94.9Very high87.4Confident66 Ų6676.6 Ų76.629%0.28740%0.396SS..THydrogen-bonded Turntrans-123.2-30.9-169.5-160.2-174.3-162.6-110.30114.2V5 G6 D28 I29 T30V5-K8 PolarHBondContact O-N 2.96Å; G6-K8 PolarHBondContact O-N 3.47Å; K8-D28 WeakPolarHBondContact CE-OD1 3.46Å; K8-D28 IonicContact NZ-OD1 2.74Å; K8-D28 PolarHBondContact NZ-OD1 3.06Å; K8-D28 IonicContact NZ-OD2 2.66Å; K8-D28 PolarHBondContact NZ-OD2 3.43Å; K8-I29 VanDerWaalsContact O-CG1 3.28Å; K8-I29 WeakPolarHBondContact O-CG1 3.32Å; K8-I29 PolarHBondContact O-N 3.44Å; K8-T30 HydrophobicContact CD-CG2 4.45Å; K8-T30 WeakPolarHBondContact CE-OG1 3.39Å; K8-T30 HydrophobicContact CG-CG2 4.01Å; K8-T30 PolarHBondContact NZ-OG1 3.41Å
9Y97.1Very high86.3Confident11 Ų1177 Ų774%0.04341%0.406CS..EExtended strand (participates in β ladder)trans-108.5117.4-173-53.5-78.9000110.4R4 V5 I27 D28 V35 K69 W70 V81R4-Y9 CarbonylContact C-O 3.46Å; R4-Y9 VanDerWaalsContact CA-O 3.29Å; R4-Y9 WeakPolarHBondContact CA-O 3.49Å; V5-Y9 PolarHBondContact N-O 3.3Å; V5-Y9 PolarHBondContact O-N 2.93Å; Y9-I27 CarbonylContact C-O 3.52Å; Y9-I27 WeakPolarHBondContact CA-O 3.31Å; Y9-D28 HydrophobicContact CD1-CB 3.82Å; Y9-D28 HydrophobicContact CE1-CB 3.78Å; Y9-D28 WeakPolarHBondContact CE1-OD2 3.36Å; Y9-V35 HydrophobicContact CD1-CG2 3.97Å; Y9-V35 HydrophobicContact CE1-CG1 4.48Å; Y9-K69 HydrophobicContact CE1-CB 4.42Å; Y9-K69 PolarHBondContact OH-O 2.99Å; Y9-W70 HydrophobicContact CD2-CB 4.4Å; Y9-W70 HydrophobicContact CE2-CB 3.45Å; Y9-W70 VanDerWaalsContact CE2-CB 3.45Å; Y9-W70 HydrophobicContact CE2-CD2 4.44Å; Y9-W70 AromaticContact CE2-CG 3.89Å; Y9-W70 HydrophobicContact CE2-CG 3.89Å; Y9-V81 HydrophobicContact CD1-CG1 3.81Å; Y9-V81 HydrophobicContact CD2-CB 4.49Å; Y9-V81 HydrophobicContact CD2-CG1 4.33Å; Y9-V81 HydrophobicContact CD2-CG2 3.94Å; Y9-V81 HydrophobicContact CE1-CG1 3.85Å; Y9-V81 HydrophobicContact CE2-CB 4.47Å; Y9-V81 HydrophobicContact CE2-CG1 4.39Å; Y9-V81 HydrophobicContact CE2-CG2 4.32Å; Y9-V81 HydrophobicContact CG-CG1 4.04Å; Y9-V81 HydrophobicContact CG-CG2 4.18Å
10R96.4Very high85.6Confident78 Ų7875.6 Ų75.629%0.29440%0.396SS..EExtended strand (participates in β ladder)trans-76.9125.7171.5172.9168.658.7-174.2-6109.2E2 G26 I27 I29E2-R10 VanDerWaalsContact CD-CD 3.43Å; E2-R10 WeakPolarHBondContact OE1-CD 3.5Å; E2-R10 IonicContact OE1-CZ 2.74Å; E2-R10 IonicContact OE1-NE 3.72Å; E2-R10 IonicContact OE1-NH1 2.7Å; E2-R10 PolarHBondContact OE1-NH1 3.45Å; R10-G26 CarbonylContact O-C 3.55Å; R10-G26 WeakPolarHBondContact O-CA 3.45Å; R10-I27 PolarHBondContact N-O 2.85Å; R10-I27 PolarHBondContact O-N 3.44Å; R10-I29 HydrophobicContact CB-CG2 3.89Å
11L95.5Very high85.4Confident32 Ų3272.8 Ų72.817%0.16839%0.386CS..EExtended strand (participates in β ladder)trans-79126.3176.2-167.170.7000109.8L3 Y24 I37 L39L3-L11 HydrophobicContact CB-CB 3.98Å; L3-L11 HydrophobicContact CB-CD2 4.25Å; L3-L11 HydrophobicContact CD1-CD2 4.07Å; L3-L11 PolarHBondContact O-N 3.28Å; L11-Y24 VanDerWaalsContact CD1-CB 3.48Å; L11-Y24 HydrophobicContact CD1-CD1 4.03Å; L11-Y24 HydrophobicContact CD1-CD2 4.24Å; L11-Y24 HydrophobicContact CD1-CG 3.68Å; L11-Y24 HydrophobicContact CD2-CD1 4.29Å; L11-Y24 HydrophobicContact CD2-CE1 4.45Å; L11-Y24 HydrophobicContact CG-CD1 4.04Å; L11-Y24 HydrophobicContact CG-CG 4.21Å; L11-I37 HydrophobicContact CD1-CB 4.09Å; L11-I37 HydrophobicContact CD1-CD1 3.93Å; L11-I37 HydrophobicContact CD1-CG2 4.03Å; L11-L39 HydrophobicContact CD1-CD1 4.44Å; L11-L39 HydrophobicContact CD2-CD1 4.22Å
12G95.3Very high87.4Confident40 Ų4064.7 Ų64.741%0.41235%0.345SS..EExtended strand (participates in β ladder)trans-105.4-144.3179.300000112.9Y24 L25G12-Y24 WeakPolarHBondContact O-CD1 3.31Å; G12-L25 CarbonylContact C-O 3.57Å; G12-L25 WeakPolarHBondContact CA-O 3.45Å; G12-L25 PolarHBondContact N-O 3.13Å
13R94.9Very high88.4Confident129 Ų12962.6 Ų62.649%0.48734%0.337SS..EExtended strand (participates in β ladder)trans-70.1146.5178.466.2-175.2173.6-155-6.9112I15 Y24 L25R13-I15 HydrophobicContact CG-CG2 4.12Å; R13-Y24 WeakPolarHBondContact O-CA 3.21Å; R13-L25 HydrophobicContact CG-CB 4.26Å; R13-L25 HydrophobicContact CG-CD2 4.39Å; R13-L25 PolarHBondContact O-N 2.96Å
14K94.8Very high89Confident97 Ų9758.8 Ų58.842%0.42231%0.314SS..EExtended strand (participates in β ladder)trans-62.6133.5165.2-171.7175.7173.4-179.50109G16 E22 I23 Y24K14-G16 WeakPolarHBondContact CE-O 3.42Å; K14-E22 WeakPolarHBondContact CE-OE1 3.47Å; K14-E22 IonicContact NZ-OE1 3.76Å; K14-E22 PolarHBondContact NZ-OE1 3.16Å; K14-I23 WeakPolarHBondContact CG-O 3.47Å; K14-Y24 HydrophobicContact CB-CD1 3.97Å; K14-Y24 HydrophobicContact CB-CE1 3.73Å; K14-Y24 HydrophobicContact CG-CE1 4.36Å; K14-Y24 HydrophobicContact CG-CE2 4.48Å
15I92.7Very high89.4Confident47 Ų4753.3 Ų53.324%0.24130%0.295CS..EExtended strand (participates in β ladder)trans-118.9-8.8178.461.4177.1000113R13 I23 L25 L84 V417R13-I15 HydrophobicContact CG-CG2 4.12Å; I15-I23 HydrophobicContact CD1-CG2 4.11Å; I15-I23 HydrophobicContact CG1-CB 4.39Å; I15-I23 HydrophobicContact CG1-CG2 3.89Å; I15-I23 PolarHBondContact N-O 3.24Å; I15-L25 HydrophobicContact CG2-CB 3.83Å; I15-L84 HydrophobicContact CD1-CD1 4.18Å; I15-V417 WeakPolarHBondContact O-CG1 3Å
16G87.7Confident89.7Confident13 Ų1352.9 Ų52.913%0.13429%0.292CS..EExtended strand (participates in β ladder)trans-178.9-173174.300000114.1K14 I23K14-G16 WeakPolarHBondContact CE-O 3.42Å; G16-I23 PolarHBondContact N-O 2.98Å; G16-I23 PolarHBondContact O-N 2.89Å
17S84.4Confident90.1Very high68 Ų6854 Ų5448%0.47629%0.292SS..EExtended strand (participates in β ladder)trans-154.3129.9172.949.90000110
18G72.4Confident90.5Very high35 Ų3547.1 Ų47.136%0.36126%0.256SS..EExtended strand (participates in β ladder)trans-101.2-177.3172.600000111.8F20 G21G18-F20 PolarHBondContact O-N 2.99Å; G18-G21 PolarHBondContact N-O 3.1Å
19S67.4Low90.5Very high84 Ų8446.8 Ų46.859%0.58726%0.257SS*.THydrogen-bonded Turntrans-66.4-12.8178.440.10000115.2
20F71.8Confident90.4Very high48 Ų4850.8 Ų50.821%0.21128%0.282CS..THydrogen-bonded Turntrans-127.26.9-173-45.9-59.5000113.5G18 E40 L152G18-F20 PolarHBondContact O-N 2.99Å; F20-E40 WeakPolarHBondContact O-CB 3.23Å; F20-L152 HydrophobicContact CE2-CD1 4.39Å; F20-L152 HydrophobicContact CE2-CD2 4.28Å; F20-L152 HydrophobicContact CE2-CG 3.87Å; F20-L152 HydrophobicContact CZ-CD1 4.23Å; F20-L152 HydrophobicContact CZ-CD2 3.77Å; F20-L152 HydrophobicContact CZ-CG 3.82Å
21G82.2Confident90.3Very high17 Ų1751.2 Ų51.218%0.17529%0.29CS..EExtended strand (participates in β ladder)trans166.1174.5-176.900000115.1G18 L39G18-G21 PolarHBondContact N-O 3.1Å; G21-L39 CarbonylContact C-O 3.57Å; G21-L39 WeakPolarHBondContact CA-O 3.27Å
22E92.6Very high90.3Very high68 Ų6855.3 Ų55.332%0.31831%0.312SS..EExtended strand (participates in β ladder)trans-97.7149.6176.4-62.9-174.3112.400110.4K14 Y24 K38 L39K14-E22 WeakPolarHBondContact CE-OE1 3.47Å; K14-E22 IonicContact NZ-OE1 3.76Å; K14-E22 PolarHBondContact NZ-OE1 3.16Å; E22-Y24 HydrophobicContact CB-CD2 4.33Å; E22-Y24 HydrophobicContact CB-CE2 3.61Å; E22-K38 CarbonylContact O-C 3.57Å; E22-K38 WeakPolarHBondContact O-CA 3.36Å; E22-L39 PolarHBondContact N-O 3.42Å; E22-L39 PolarHBondContact O-N 3.17Å
23I94.7Very high90.4Very high47 Ų4756.3 Ų56.324%0.24131%0.306CS..EExtended strand (participates in β ladder)trans-120.2128.2-178.1-49.8179.2000109K14 I15 G16 I37 K38K14-I23 WeakPolarHBondContact CG-O 3.47Å; I15-I23 HydrophobicContact CD1-CG2 4.11Å; I15-I23 HydrophobicContact CG1-CB 4.39Å; I15-I23 HydrophobicContact CG1-CG2 3.89Å; I15-I23 PolarHBondContact N-O 3.24Å; G16-I23 PolarHBondContact N-O 2.98Å; G16-I23 PolarHBondContact O-N 2.89Å; I23-I37 WeakPolarHBondContact CA-O 3.26Å; I23-K38 HydrophobicContact CG1-CG 4.34Å
24Y96.3Very high90.5Very high43 Ų4354.6 Ų54.617%0.16930%0.304CS..EExtended strand (participates in β ladder)trans-121.5148-177.7-69.3-103.4000110.8L11 G12 R13 K14 E22 I37 L39L11-Y24 VanDerWaalsContact CD1-CB 3.48Å; L11-Y24 HydrophobicContact CD1-CD1 4.03Å; L11-Y24 HydrophobicContact CD1-CD2 4.24Å; L11-Y24 HydrophobicContact CD1-CG 3.68Å; L11-Y24 HydrophobicContact CD2-CD1 4.29Å; L11-Y24 HydrophobicContact CD2-CE1 4.45Å; L11-Y24 HydrophobicContact CG-CD1 4.04Å; L11-Y24 HydrophobicContact CG-CG 4.21Å; G12-Y24 WeakPolarHBondContact O-CD1 3.31Å; R13-Y24 WeakPolarHBondContact O-CA 3.21Å; K14-Y24 HydrophobicContact CB-CD1 3.97Å; K14-Y24 HydrophobicContact CB-CE1 3.73Å; K14-Y24 HydrophobicContact CG-CE1 4.36Å; K14-Y24 HydrophobicContact CG-CE2 4.48Å; E22-Y24 HydrophobicContact CB-CD2 4.33Å; E22-Y24 HydrophobicContact CB-CE2 3.61Å; Y24-I37 PolarHBondContact N-O 3.24Å; Y24-I37 PolarHBondContact O-N 3.23Å; Y24-L39 HydrophobicContact CD2-CD1 3.83Å; Y24-L39 HydrophobicContact CD2-CG 4.2Å; Y24-L39 HydrophobicContact CE2-CD1 3.67Å; Y24-L39 HydrophobicContact CE2-CG 4.35Å
25L96.6Very high90.6Very high19 Ų1950 Ų5010%0.09928%0.284CS..EExtended strand (participates in β ladder)trans-69.3139157.1178.362.1000107.9G12 R13 I15 E34 L84G12-L25 CarbonylContact C-O 3.57Å; G12-L25 WeakPolarHBondContact CA-O 3.45Å; G12-L25 PolarHBondContact N-O 3.13Å; R13-L25 HydrophobicContact CG-CB 4.26Å; R13-L25 HydrophobicContact CG-CD2 4.39Å; R13-L25 PolarHBondContact O-N 2.96Å; I15-L25 HydrophobicContact CG2-CB 3.83Å; L25-E34 HydrophobicContact CD1-CB 4.11Å; L25-E34 HydrophobicContact CD1-CG 4.33Å; L25-L84 HydrophobicContact CD1-CD1 4.44Å; L25-L84 HydrophobicContact CD1-CD2 3.67Å
26G96.9Very high90.9Very high0 Ų048.3 Ų48.30%028%0.277CS..EExtended strand (participates in β ladder)trans-136.5170.7168.600000111.5R10 E34 V35R10-G26 CarbonylContact O-C 3.55Å; R10-G26 WeakPolarHBondContact O-CA 3.45Å; G26-E34 WeakPolarHBondContact O-CA 3.31Å; G26-V35 PolarHBondContact N-O 3.06Å; G26-V35 WeakPolarHBondContact O-CG2 3.17Å; G26-V35 PolarHBondContact O-N 2.93Å
27I97.8Very high91.3Very high44 Ų4447.7 Ų47.723%0.22627%0.271CS..EExtended strand (participates in β ladder)trans-128.9129.2176.7-60.4168000108.3Y9 R10 I29 D32Y9-I27 CarbonylContact C-O 3.52Å; Y9-I27 WeakPolarHBondContact CA-O 3.31Å; R10-I27 PolarHBondContact N-O 2.85Å; R10-I27 PolarHBondContact O-N 3.44Å; I27-I29 PolarHBondContact O-N 3.2Å; I27-D32 HydrophobicContact CG2-CB 4.41Å
28D97.3Very high91.8Very high3 Ų345.2 Ų45.22%0.01625%0.251CS..EExtended strand (participates in β ladder)trans-75.2111.2169.2-174.5-33.7000109.7K8 Y9 T30 N31 D32 E33K8-D28 WeakPolarHBondContact CE-OD1 3.46Å; K8-D28 IonicContact NZ-OD1 2.74Å; K8-D28 PolarHBondContact NZ-OD1 3.06Å; K8-D28 IonicContact NZ-OD2 2.66Å; K8-D28 PolarHBondContact NZ-OD2 3.43Å; Y9-D28 HydrophobicContact CD1-CB 3.82Å; Y9-D28 HydrophobicContact CE1-CB 3.78Å; Y9-D28 WeakPolarHBondContact CE1-OD2 3.36Å; D28-T30 PolarHBondContact O-N 2.84Å; D28-T30 PolarHBondContact OD1-N 3.31Å; D28-T30 VanDerWaalsContact OD1-N 3.12Å; D28-T30 PolarHBondContact OD1-OG1 2.83Å; D28-N31 VanDerWaalsContact CB-OD1 3.28Å; D28-N31 WeakPolarHBondContact CB-OD1 3.05Å; D28-N31 VanDerWaalsContact CG-OD1 3.29Å; D28-N31 PolarHBondContact O-N 3.48Å; D28-N31 PolarHBondContact O-OD1 2.68Å; D28-D32 WeakPolarHBondContact O-CA 3.48Å; D28-D32 PolarHBondContact O-N 3.12Å; D28-E33 HydrophobicContact CB-CB 4.34Å; D28-E33 PolarHBondContact N-O 3.34Å
29I95.4Very high92.9Very high60 Ų6044.4 Ų44.431%0.30824%0.239SC..THydrogen-bonded Turntrans-733.5-170.475.8-167000113.9K8 R10 I27K8-I29 VanDerWaalsContact O-CG1 3.28Å; K8-I29 WeakPolarHBondContact O-CG1 3.32Å; K8-I29 PolarHBondContact O-N 3.44Å; R10-I29 HydrophobicContact CB-CG2 3.89Å; I27-I29 PolarHBondContact O-N 3.2Å
30T95Very high94.2Very high94 Ų9440.6 Ų40.658%0.57721%0.211SC*.THydrogen-bonded Turntrans-100.3-15.5178.2640000114.1K8 D28K8-T30 HydrophobicContact CD-CG2 4.45Å; K8-T30 WeakPolarHBondContact CE-OG1 3.39Å; K8-T30 HydrophobicContact CG-CG2 4.01Å; K8-T30 PolarHBondContact NZ-OG1 3.41Å; D28-T30 PolarHBondContact O-N 2.84Å; D28-T30 PolarHBondContact OD1-N 3.31Å; D28-T30 VanDerWaalsContact OD1-N 3.12Å; D28-T30 PolarHBondContact OD1-OG1 2.83Å
31N95.7Very high95.3Very high88 Ų8840.6 Ų40.647%0.47122%0.217SC..THydrogen-bonded Turntrans-148.57.2-178.267.4-14.1000113.7D28 E33D28-N31 VanDerWaalsContact CB-OD1 3.28Å; D28-N31 WeakPolarHBondContact CB-OD1 3.05Å; D28-N31 VanDerWaalsContact CG-OD1 3.29Å; D28-N31 PolarHBondContact O-N 3.48Å; D28-N31 PolarHBondContact O-OD1 2.68Å; N31-E33 WeakPolarHBondContact ND2-CB 3.3Å; N31-E33 PolarHBondContact ND2-OE2 2.91Å; N31-E33 VanDerWaalsContact ND2-OE2 3.12Å; N31-E33 PolarHBondContact O-N 2.69Å; N31-E33 VanDerWaalsContact O-N 3.15Å; N31-E33 VanDerWaalsContact OD1-CB 3.25Å; N31-E33 WeakPolarHBondContact OD1-CB 3.39Å; N31-E33 PolarHBondContact OD1-N 3.09Å; N31-E33 VanDerWaalsContact OD1-N 3.16Å
32D95.1Very high95.8Very high118 Ų11842.4 Ų42.463%0.63122%0.224SC*.THydrogen-bonded Turntrans51.727.3-173.4-72.4-57.9000114.8I27 D28 E34I27-D32 HydrophobicContact CG2-CB 4.41Å; D28-D32 WeakPolarHBondContact O-CA 3.48Å; D28-D32 PolarHBondContact O-N 3.12Å; D32-E34 PolarHBondContact O-N 3.04Å
33E96.4Very high95.9Very high61 Ų6146.3 Ų46.329%0.28524%0.241SC..EExtended strand (participates in β ladder)trans-74.2125177.1-174-179.6-178.100111.3D28 N31 K69D28-E33 HydrophobicContact CB-CB 4.34Å; D28-E33 PolarHBondContact N-O 3.34Å; N31-E33 WeakPolarHBondContact ND2-CB 3.3Å; N31-E33 PolarHBondContact ND2-OE2 2.91Å; N31-E33 VanDerWaalsContact ND2-OE2 3.12Å; N31-E33 PolarHBondContact O-N 2.69Å; N31-E33 VanDerWaalsContact O-N 3.15Å; N31-E33 VanDerWaalsContact OD1-CB 3.25Å; N31-E33 WeakPolarHBondContact OD1-CB 3.39Å; N31-E33 PolarHBondContact OD1-N 3.09Å; N31-E33 VanDerWaalsContact OD1-N 3.16Å; E33-K69 VanDerWaalsContact OE1-CE 3.27Å; E33-K69 WeakPolarHBondContact OE1-CE 3.43Å; E33-K69 IonicContact OE1-NZ 3.23Å; E33-K69 PolarHBondContact OE1-NZ 2.7Å; E33-K69 IonicContact OE2-NZ 2.68Å; E33-K69 PolarHBondContact OE2-NZ 3.31Å
34E97.4Very high95.7Very high92 Ų9246 Ų4643%0.4325%0.245SC..EExtended strand (participates in β ladder)trans-68.4130171.6-66.5-165.4127.100111.4L25 G26 D32 L84L25-E34 HydrophobicContact CD1-CB 4.11Å; L25-E34 HydrophobicContact CD1-CG 4.33Å; G26-E34 WeakPolarHBondContact O-CA 3.31Å; D32-E34 PolarHBondContact O-N 3.04Å; E34-L84 HydrophobicContact CB-CD2 3.65Å; E34-L84 WeakPolarHBondContact O-CB 3.46Å
35V97.9Very high95.3Very high0 Ų052.6 Ų52.60%027%0.274CS..EExtended strand (participates in β ladder)trans-128.3157.7-177.9-67.90000111.3Y9 G26 I37 K69 V81Y9-V35 HydrophobicContact CD1-CG2 3.97Å; Y9-V35 HydrophobicContact CE1-CG1 4.48Å; G26-V35 PolarHBondContact N-O 3.06Å; G26-V35 WeakPolarHBondContact O-CG2 3.17Å; G26-V35 PolarHBondContact O-N 2.93Å; V35-I37 HydrophobicContact CG2-CD1 4.4Å; V35-I37 HydrophobicContact CG2-CG1 4.13Å; V35-K69 HydrophobicContact CG1-CG 4.23Å; V35-V81 HydrophobicContact CB-CG1 3.76Å; V35-V81 HydrophobicContact CG1-CG1 4.15Å; V35-V81 HydrophobicContact CG2-CG1 3.71Å
36A97.5Very high94.8Very high13 Ų1357.7 Ų57.711%0.10730%0.297CS..EExtended strand (participates in β ladder)trans-97.9128.3167.900000109.8V81 I82 L84A36-V81 WeakPolarHBondContact O-CA 3.5Å; A36-I82 HydrophobicContact CB-CG1 4.05Å; A36-I82 PolarHBondContact N-O 2.64Å; A36-I82 PolarHBondContact O-N 3.19Å; A36-L84 HydrophobicContact CB-CD1 4.12Å
37I96.8Very high94.5Very high0 Ų060.8 Ų60.80%032%0.318CS..EExtended strand (participates in β ladder)trans-113.8114.1179.9-52.3-173000108.7L11 I23 Y24 V35 L39 V79 L80 V81L11-I37 HydrophobicContact CD1-CB 4.09Å; L11-I37 HydrophobicContact CD1-CD1 3.93Å; L11-I37 HydrophobicContact CD1-CG2 4.03Å; I23-I37 WeakPolarHBondContact CA-O 3.26Å; Y24-I37 PolarHBondContact N-O 3.24Å; Y24-I37 PolarHBondContact O-N 3.23Å; V35-I37 HydrophobicContact CG2-CD1 4.4Å; V35-I37 HydrophobicContact CG2-CG1 4.13Å; I37-L39 HydrophobicContact CG2-CD2 3.86Å; I37-L39 HydrophobicContact CG2-CG 4.37Å; I37-V79 HydrophobicContact CG2-CG1 3.65Å; I37-L80 WeakPolarHBondContact CA-O 3.49Å; I37-V81 HydrophobicContact CD1-CG2 4.47Å; I37-V81 HydrophobicContact CG1-CG1 4.26Å; I37-V81 HydrophobicContact CG1-CG2 4.14Å; I37-V81 HydrophobicContact CG2-CG2 4.3Å
38K95.8Very high94.1Very high16 Ų1660 Ų607%0.0731%0.313CS..EExtended strand (participates in β ladder)trans-97128.7174-169.5174.2-175.1-168.60108.7E22 I23 L49 E52 L80 D149E22-K38 CarbonylContact O-C 3.57Å; E22-K38 WeakPolarHBondContact O-CA 3.36Å; I23-K38 HydrophobicContact CG1-CG 4.34Å; K38-L49 HydrophobicContact CB-CD1 4.19Å; K38-L49 HydrophobicContact CD-CD1 3.61Å; K38-L49 HydrophobicContact CG-CD1 3.8Å; K38-L49 WeakPolarHBondContact O-CD2 3.45Å; K38-E52 IonicContact NZ-OE1 3.67Å; K38-E52 PolarHBondContact NZ-OE1 3.43Å; K38-E52 IonicContact NZ-OE2 3.35Å; K38-E52 PolarHBondContact NZ-OE2 2.87Å; K38-L80 HydrophobicContact CB-CB 4.35Å; K38-L80 PolarHBondContact N-O 3.11Å; K38-L80 PolarHBondContact O-N 2.82Å; K38-D149 IonicContact NZ-OD1 2.77Å; K38-D149 PolarHBondContact NZ-OD1 2.74Å
39L95.2Very high93.9Very high17 Ų1760.1 Ų60.19%0.08931%0.313CS..EExtended strand (participates in β ladder)trans-116.9127.5-178.2-59.3-178.6000110.6L11 G21 E22 Y24 I37 Y77 V79L11-L39 HydrophobicContact CD1-CD1 4.44Å; L11-L39 HydrophobicContact CD2-CD1 4.22Å; G21-L39 CarbonylContact C-O 3.57Å; G21-L39 WeakPolarHBondContact CA-O 3.27Å; E22-L39 PolarHBondContact N-O 3.42Å; E22-L39 PolarHBondContact O-N 3.17Å; Y24-L39 HydrophobicContact CD2-CD1 3.83Å; Y24-L39 HydrophobicContact CD2-CG 4.2Å; Y24-L39 HydrophobicContact CE2-CD1 3.67Å; Y24-L39 HydrophobicContact CE2-CG 4.35Å; I37-L39 HydrophobicContact CG2-CD2 3.86Å; I37-L39 HydrophobicContact CG2-CG 4.37Å; L39-Y77 HydrophobicContact CB-CD1 4.07Å; L39-V79 HydrophobicContact CD2-CB 4.07Å; L39-V79 HydrophobicContact CD2-CG1 3.6Å; L39-V79 HydrophobicContact CD2-CG2 3.58Å
40E95Very high93.8Very high4 Ų461.9 Ų61.92%0.01932%0.321CS..EExtended strand (participates in β ladder)trans-124.7126.2175.4170.3-171.9-98.200108.5F20 V42 A44 P47 Q48 L49 Y77 N78F20-E40 WeakPolarHBondContact O-CB 3.23Å; E40-V42 PolarHBondContact O-N 2.95Å; E40-A44 HydrophobicContact CG-CB 4.34Å; E40-P47 WeakPolarHBondContact OE1-CA 3.3Å; E40-P47 WeakPolarHBondContact OE2-CB 3.36Å; E40-Q48 PolarHBondContact OE1-N 3.4Å; E40-Q48 PolarHBondContact OE2-N 3.49Å; E40-L49 HydrophobicContact CB-CB 3.8Å; E40-L49 HydrophobicContact CB-CD2 3.67Å; E40-L49 HydrophobicContact CB-CG 4.34Å; E40-L49 HydrophobicContact CG-CB 4.3Å; E40-L49 PolarHBondContact OE1-N 2.96Å; E40-L49 VanDerWaalsContact OE2-CB 3.31Å; E40-L49 WeakPolarHBondContact OE2-CB 3.39Å; E40-L49 PolarHBondContact OE2-N 2.96Å; E40-Y77 CarbonylContact O-C 3.53Å; E40-Y77 VanDerWaalsContact O-CA 3.32Å; E40-Y77 WeakPolarHBondContact O-CA 3.44Å; E40-N78 HydrophobicContact CB-CB 4.21Å; E40-N78 PolarHBondContact N-O 3.22Å; E40-N78 PolarHBondContact O-N 2.85Å; E40-N78 PolarHBondContact OE2-ND2 3.37Å
41C93.7Very high93.7Very high48 Ų4861.9 Ų61.932%0.32432%0.316SS..EExtended strand (participates in β ladder)trans-65.2133176.9179.70000110.9K43 A44 D76 Y77C41-K43 PolarHBondContact O-N 3.3Å; C41-K43 VanDerWaalsContact O-N 3.11Å; C41-A44 WeakPolarHBondContact O-CB 3.26Å; C41-A44 PolarHBondContact O-N 2.68Å; C41-D76 CarbonylContact C-O 3.5Å; C41-D76 WeakPolarHBondContact CA-O 3.42Å; C41-Y77 HydrophobicContact CB-CD1 4.43Å; C41-Y77 HydrophobicContact CB-CE1 4.31Å
42V93.3Very high93.7Very high55 Ų5557.8 Ų57.833%0.33329%0.294SS..THydrogen-bonded Turntrans-62.1-22.1-179.7-590000113E40 A44 T73 D76E40-V42 PolarHBondContact O-N 2.95Å; V42-A44 VanDerWaalsContact C-N 3.29Å; V42-T73 HydrophobicContact CG1-CG2 3.68Å; V42-D76 PolarHBondContact N-O 2.72Å
43K93.2Very high93.7Very high151 Ų15152.4 Ų52.466%0.65727%0.266SS*.THydrogen-bonded Turntrans-84.95.1175.3-65.3152.6178.4159.30113C41 D76C41-K43 PolarHBondContact O-N 3.3Å; C41-K43 VanDerWaalsContact O-N 3.11Å; K43-D76 WeakPolarHBondContact CE-OD1 3.44Å; K43-D76 IonicContact NZ-OD1 2.67Å; K43-D76 PolarHBondContact NZ-OD1 3.38Å; K43-D76 IonicContact NZ-OD2 2.88Å; K43-D76 PolarHBondContact NZ-OD2 2.77Å
44A90.8Very high93.7Very high40 Ų4055.9 Ų55.933%0.33128%0.28SS..  trans-61.1138.9176.100000111.4E40 C41 V42 H46 P47E40-A44 HydrophobicContact CG-CB 4.34Å; C41-A44 WeakPolarHBondContact O-CB 3.26Å; C41-A44 PolarHBondContact O-N 2.68Å; V42-A44 VanDerWaalsContact C-N 3.29Å; A44-H46 PolarHBondContact O-N 3.47Å; A44-H46 VanDerWaalsContact O-N 3.12Å; A44-P47 WeakPolarHBondContact O-CD 3.21Å
45K89Confident93.7Very high182 Ų18251.8 Ų51.879%0.79126%0.261SS*.SBendtrans-58.6-29.5-175.6-171.9-179.3175.51760114.1
46H85.8Confident93.7Very high125 Ų12552 Ų5258%0.57926%0.262SS*.SBendtrans-141.275-176.6-59.9-51.9000109.9A44 Q48A44-H46 PolarHBondContact O-N 3.47Å; A44-H46 VanDerWaalsContact O-N 3.12Å; H46-Q48 PolarHBondContact O-N 2.94Å; H46-Q48 PolarHBondContact O-NE2 3.23Å; H46-Q48 VanDerWaalsContact O-NE2 3.12Å
47P90Very high93.7Very high66 Ų6658.9 Ų58.943%0.42929%0.29SS..  trans-69.1130.8-175.429.8-33000110.4E40 A44E40-P47 WeakPolarHBondContact OE1-CA 3.3Å; E40-P47 WeakPolarHBondContact OE2-CB 3.36Å; A44-P47 WeakPolarHBondContact O-CD 3.21Å
48Q90.6Very high93.7Very high28 Ų2863.6 Ų63.613%0.13131%0.314CS..  trans-127.3-21.5-172.7-78.3162.166.900112.4E40 H46 Q50 I51 E52 G151E40-Q48 PolarHBondContact OE1-N 3.4Å; E40-Q48 PolarHBondContact OE2-N 3.49Å; H46-Q48 PolarHBondContact O-N 2.94Å; H46-Q48 PolarHBondContact O-NE2 3.23Å; H46-Q48 VanDerWaalsContact O-NE2 3.12Å; Q48-Q50 VanDerWaalsContact C-N 3.3Å; Q48-Q50 PolarHBondContact O-N 3.29Å; Q48-I51 WeakPolarHBondContact O-CA 3.49Å; Q48-I51 WeakPolarHBondContact O-CB 3.42Å; Q48-I51 PolarHBondContact O-N 3.46Å; Q48-E52 PolarHBondContact O-N 2.91Å; Q48-G151 PolarHBondContact OE1-O 3.18Å; Q48-G151 VanDerWaalsContact OE1-O 3.04Å
49L93.5Very high93.7Very high4 Ų462.9 Ų62.92%0.02131%0.311CS..Hα-helixtrans-62.8-34.6-169.8-165.363.2000113.3K38 E40 I51 E52 A53 N78 L80K38-L49 HydrophobicContact CB-CD1 4.19Å; K38-L49 HydrophobicContact CD-CD1 3.61Å; K38-L49 HydrophobicContact CG-CD1 3.8Å; K38-L49 WeakPolarHBondContact O-CD2 3.45Å; E40-L49 HydrophobicContact CB-CB 3.8Å; E40-L49 HydrophobicContact CB-CD2 3.67Å; E40-L49 HydrophobicContact CB-CG 4.34Å; E40-L49 HydrophobicContact CG-CB 4.3Å; E40-L49 PolarHBondContact OE1-N 2.96Å; E40-L49 VanDerWaalsContact OE2-CB 3.31Å; E40-L49 WeakPolarHBondContact OE2-CB 3.39Å; E40-L49 PolarHBondContact OE2-N 2.96Å; L49-I51 VanDerWaalsContact C-N 3.31Å; L49-I51 PolarHBondContact O-N 3.17Å; L49-E52 WeakPolarHBondContact CD1-OE2 3.32Å; L49-E52 PolarHBondContact O-N 3.01Å; L49-A53 WeakPolarHBondContact O-CB 3.42Å; L49-A53 PolarHBondContact O-N 2.78Å; L49-N78 HydrophobicContact CB-CB 4.22Å; L49-N78 HydrophobicContact CD2-CB 4.07Å; L49-N78 WeakPolarHBondContact CD2-O 3.39Å; L49-L80 HydrophobicContact CD1-CB 3.65Å; L49-L80 HydrophobicContact CD1-CD2 3.6Å; L49-L80 HydrophobicContact CD1-CG 4.27Å; L49-L80 HydrophobicContact CD2-CB 4Å; L49-L80 HydrophobicContact CG-CB 3.8Å; L49-L80 HydrophobicContact CG-CD2 4.45Å
50Q92.7Very high93.7Very high98 Ų9864.9 Ų64.946%0.45832%0.32SS..Hα-helixtrans-69.5-25.2172.7-62.4-171.34.900113.7Q48 K54 N78Q48-Q50 VanDerWaalsContact C-N 3.3Å; Q48-Q50 PolarHBondContact O-N 3.29Å; Q50-K54 WeakPolarHBondContact O-CD 3.28Å; Q50-K54 VanDerWaalsContact O-CG 3.31Å; Q50-K54 WeakPolarHBondContact O-CG 3.35Å; Q50-K54 PolarHBondContact O-N 2.74Å; Q50-N78 PolarHBondContact NE2-OD1 3.25Å
51I92.5Very high93.6Very high93 Ų9368.7 Ų68.748%0.47736%0.36SS..Hα-helixtrans-79.5-45.8175.3-56.7176000108.8Q48 L49 A53 K54 I55Q48-I51 WeakPolarHBondContact O-CA 3.49Å; Q48-I51 WeakPolarHBondContact O-CB 3.42Å; Q48-I51 PolarHBondContact O-N 3.46Å; L49-I51 VanDerWaalsContact C-N 3.31Å; L49-I51 PolarHBondContact O-N 3.17Å; I51-A53 VanDerWaalsContact C-N 3.33Å; I51-A53 PolarHBondContact O-N 3.46Å; I51-K54 WeakPolarHBondContact O-CB 3.36Å; I51-K54 PolarHBondContact O-N 2.66Å; I51-K54 VanDerWaalsContact O-N 3.1Å; I51-I55 HydrophobicContact CG2-CD1 4.31Å; I51-I55 WeakPolarHBondContact O-CG1 3.27Å; I51-I55 PolarHBondContact O-N 3.2Å
52E95.4Very high93.8Very high2 Ų266.9 Ų66.91%0.00935%0.35CS..Hα-helixtrans-55.3-45.7173.8-179179.1-174.900111.7K38 Q48 L49 K54 I55 Y56 L80 F150K38-E52 IonicContact NZ-OE1 3.67Å; K38-E52 PolarHBondContact NZ-OE1 3.43Å; K38-E52 IonicContact NZ-OE2 3.35Å; K38-E52 PolarHBondContact NZ-OE2 2.87Å; Q48-E52 PolarHBondContact O-N 2.91Å; L49-E52 WeakPolarHBondContact CD1-OE2 3.32Å; L49-E52 PolarHBondContact O-N 3.01Å; E52-K54 VanDerWaalsContact C-N 3.33Å; E52-K54 PolarHBondContact O-N 3.01Å; E52-I55 PolarHBondContact O-N 3.42Å; E52-I55 VanDerWaalsContact O-N 3.09Å; E52-Y56 HydrophobicContact CG-CD2 3.8Å; E52-Y56 HydrophobicContact CG-CE2 3.48Å; E52-Y56 VanDerWaalsContact CG-CE2 3.48Å; E52-Y56 WeakPolarHBondContact O-CD2 3.43Å; E52-Y56 PolarHBondContact O-N 3.31Å; E52-Y56 WeakPolarHBondContact OE1-CE2 3.28Å; E52-L80 HydrophobicContact CG-CD2 4.07Å; E52-F150 HydrophobicContact CG-CB 4.11Å
53A96.2Very high94Very high6 Ų668.9 Ų68.95%0.0536%0.362CS..Hα-helixtrans-57.9-41.6174.600000112.9L49 I51 I55 Y56 K57 L80L49-A53 WeakPolarHBondContact O-CB 3.42Å; L49-A53 PolarHBondContact O-N 2.78Å; I51-A53 VanDerWaalsContact C-N 3.33Å; I51-A53 PolarHBondContact O-N 3.46Å; A53-I55 VanDerWaalsContact C-N 3.33Å; A53-I55 PolarHBondContact O-N 2.88Å; A53-Y56 PolarHBondContact O-N 2.87Å; A53-K57 PolarHBondContact O-N 3.35Å; A53-L80 HydrophobicContact CB-CD1 4.06Å
54K96.3Very high94.2Very high134 Ų13461.8 Ų61.858%0.58333%0.331SS*.Hα-helixtrans-65.1-36.8175.1-70.2165.3-173.7170.60111.5Q50 I51 E52 K57 L58Q50-K54 WeakPolarHBondContact O-CD 3.28Å; Q50-K54 VanDerWaalsContact O-CG 3.31Å; Q50-K54 WeakPolarHBondContact O-CG 3.35Å; Q50-K54 PolarHBondContact O-N 2.74Å; I51-K54 WeakPolarHBondContact O-CB 3.36Å; I51-K54 PolarHBondContact O-N 2.66Å; I51-K54 VanDerWaalsContact O-N 3.1Å; E52-K54 VanDerWaalsContact C-N 3.33Å; E52-K54 PolarHBondContact O-N 3.01Å; K54-K57 PolarHBondContact O-N 3.26Å; K54-L58 WeakPolarHBondContact O-CG 2.97Å; K54-L58 PolarHBondContact O-N 2.68Å
55I96.9Very high94.6Very high6 Ų660.4 Ų60.43%0.03132%0.318CS..Hα-helixtrans-69.4-47.1175.4-62.3174.5000110.5I51 E52 A53 K57 L58 M59 F124 F150 A153I51-I55 HydrophobicContact CG2-CD1 4.31Å; I51-I55 WeakPolarHBondContact O-CG1 3.27Å; I51-I55 PolarHBondContact O-N 3.2Å; E52-I55 PolarHBondContact O-N 3.42Å; E52-I55 VanDerWaalsContact O-N 3.09Å; A53-I55 VanDerWaalsContact C-N 3.33Å; A53-I55 PolarHBondContact O-N 2.88Å; I55-K57 PolarHBondContact O-N 3.49Å; I55-L58 PolarHBondContact O-N 2.97Å; I55-M59 HydrophobicContact CG2-CE 3.95Å; I55-M59 HydrophobicContact CG2-CG 4Å; I55-M59 VanDerWaalsContact O-CG 3.23Å; I55-M59 WeakPolarHBondContact O-CG 3.5Å; I55-M59 PolarHBondContact O-N 3.33Å; I55-F124 HydrophobicContact CD1-CD1 3.94Å; I55-F124 HydrophobicContact CD1-CE1 3.67Å; I55-F124 HydrophobicContact CG1-CD1 4.31Å; I55-F124 HydrophobicContact CG1-CE1 3.76Å; I55-F124 HydrophobicContact CG1-CZ 4.12Å; I55-F150 HydrophobicContact CB-CB 4.09Å; I55-F150 HydrophobicContact CD1-CB 4.38Å; I55-F150 HydrophobicContact CG2-CB 3.78Å; I55-F150 HydrophobicContact CG2-CD1 4.47Å; I55-F150 HydrophobicContact CG2-CD2 3.9Å; I55-F150 HydrophobicContact CG2-CG 3.79Å; I55-A153 HydrophobicContact CD1-CB 3.91Å
56Y97.5Very high95Very high3 Ų351.7 Ų51.71%0.01228%0.281CS..Hα-helixtrans-53.2-42.2173-82-68000111.8E52 A53 L58 M59 Q60 I65 P66 L80 D149 F150E52-Y56 HydrophobicContact CG-CD2 3.8Å; E52-Y56 HydrophobicContact CG-CE2 3.48Å; E52-Y56 VanDerWaalsContact CG-CE2 3.48Å; E52-Y56 WeakPolarHBondContact O-CD2 3.43Å; E52-Y56 PolarHBondContact O-N 3.31Å; E52-Y56 WeakPolarHBondContact OE1-CE2 3.28Å; A53-Y56 PolarHBondContact O-N 2.87Å; Y56-L58 PolarHBondContact O-N 2.97Å; Y56-M59 PolarHBondContact O-N 3.4Å; Y56-M59 VanDerWaalsContact O-N 3.16Å; Y56-Q60 WeakPolarHBondContact O-CG 3.17Å; Y56-Q60 PolarHBondContact O-N 2.88Å; Y56-Q60 VanDerWaalsContact O-N 3.15Å; Y56-Q60 PolarHBondContact O-NE2 3.42Å; Y56-I65 HydrophobicContact CD1-CG2 4.41Å; Y56-P66 HydrophobicContact CE1-CB 4.13Å; Y56-P66 HydrophobicContact CE1-CG 3.86Å; Y56-L80 HydrophobicContact CD2-CD1 4.46Å; Y56-L80 HydrophobicContact CD2-CD2 3.97Å; Y56-L80 HydrophobicContact CE2-CD2 3.77Å; Y56-D149 PolarHBondContact OH-N 2.89Å; Y56-D149 VanDerWaalsContact OH-N 3.17Å; Y56-F150 AromaticContact CD1-CD2 3.75Å; Y56-F150 HydrophobicContact CD1-CD2 3.75Å; Y56-F150 AromaticContact CD1-CE2 3.56Å; Y56-F150 HydrophobicContact CD1-CE2 3.56Å; Y56-F150 HydrophobicContact CD2-CD2 4.15Å; Y56-F150 AromaticContact CE1-CD2 3.64Å; Y56-F150 HydrophobicContact CE1-CD2 3.64Å; Y56-F150 AromaticContact CE1-CE2 3.42Å; Y56-F150 HydrophobicContact CE1-CE2 3.42Å; Y56-F150 VanDerWaalsContact CE1-CE2 3.42Å; Y56-F150 HydrophobicContact CE1-CZ 4.48Å; Y56-F150 HydrophobicContact CE2-CD2 4.08Å; Y56-F150 AromaticContact CG-CD2 3.98Å; Y56-F150 HydrophobicContact CG-CD2 3.98Å; Y56-F150 HydrophobicContact CG-CE2 4.24Å; Y56-F150 AromaticContact CZ-CD2 3.81Å
57K97.1Very high95.5Very high159 Ų15948 Ų4869%0.69127%0.269SS*.Hα-helixtrans-61.3-38.8176.5-167.6170.8-176.8173.80112.9A53 K54 I55 L68A53-K57 PolarHBondContact O-N 3.35Å; K54-K57 PolarHBondContact O-N 3.26Å; I55-K57 PolarHBondContact O-N 3.49Å; K57-L68 HydrophobicContact CB-CD2 3.91Å
58L96.6Very high95.9Very high99 Ų9946.6 Ų46.652%0.51826%0.257SS..Hα-helixtrans-72.7-26.6175.2-67.6170000113.2K54 I55 Y56 K122 F124K54-L58 WeakPolarHBondContact O-CG 2.97Å; K54-L58 PolarHBondContact O-N 2.68Å; I55-L58 PolarHBondContact O-N 2.97Å; Y56-L58 PolarHBondContact O-N 2.97Å; L58-K122 PolarHBondContact O-NZ 2.83Å; L58-F124 HydrophobicContact CD1-CE2 4.06Å; L58-F124 HydrophobicContact CD1-CZ 4.09Å
59M96.4Very high96.2Very high0 Ų048.2 Ų48.20%026%0.264CS..Hα-helixtrans-90.4-1.6-179-60.8-65.9173.500113.9I55 Y56 G62 I65 Y118 I119 K122 F124 F150I55-M59 HydrophobicContact CG2-CE 3.95Å; I55-M59 HydrophobicContact CG2-CG 4Å; I55-M59 VanDerWaalsContact O-CG 3.23Å; I55-M59 WeakPolarHBondContact O-CG 3.5Å; I55-M59 PolarHBondContact O-N 3.33Å; Y56-M59 PolarHBondContact O-N 3.4Å; Y56-M59 VanDerWaalsContact O-N 3.16Å; M59-G62 PolarHBondContact O-N 2.96Å; M59-I65 HydrophobicContact CB-CD1 4.49Å; M59-I65 HydrophobicContact CB-CG1 4.36Å; M59-I65 HydrophobicContact CB-CG2 3.79Å; M59-Y118 HydrophobicContact CB-CE1 4.31Å; M59-Y118 PolarHBondContact O-OH 3.23Å; M59-Y118 HydrophobicContact SD-CD1 4.28Å; M59-Y118 HydrophobicContact SD-CE1 3.97Å; M59-I119 HydrophobicContact CE-CB 4.35Å; M59-I119 HydrophobicContact CE-CG1 4.46Å; M59-I119 HydrophobicContact CE-CG2 3.88Å; M59-I119 HydrophobicContact SD-CG1 4.28Å; M59-K122 HydrophobicContact CE-CB 3.66Å; M59-K122 HydrophobicContact CE-CG 4.47Å; M59-K122 HydrophobicContact SD-CB 3.52Å; M59-K122 VanDerWaalsContact SD-CB 3.52Å; M59-K122 HydrophobicContact SD-CD 4.45Å; M59-K122 HydrophobicContact SD-CG 3.67Å; M59-F124 HydrophobicContact CE-CB 3.87Å; M59-F124 HydrophobicContact CE-CD2 3.6Å; M59-F124 HydrophobicContact CE-CE2 4.41Å; M59-F124 HydrophobicContact CE-CG 3.92Å; M59-F150 HydrophobicContact CG-CE2 4.33Å
60Q95.9Very high96.3Very high60 Ų6051.6 Ų51.628%0.2828%0.276SS..THydrogen-bonded Turntrans-59.3150.4178-66.3-53-72.200112.3Y56 G62 P66 Y118Y56-Q60 WeakPolarHBondContact O-CG 3.17Å; Y56-Q60 PolarHBondContact O-N 2.88Å; Y56-Q60 VanDerWaalsContact O-N 3.15Å; Y56-Q60 PolarHBondContact O-NE2 3.42Å; Q60-G62 PolarHBondContact O-N 2.87Å; Q60-P66 PolarHBondContact NE2-O 3.18Å; Q60-Y118 PolarHBondContact O-OH 3.26Å
61G93.3Very high96.5Very high83 Ų8349.5 Ų49.586%0.85627%0.273SS*.THydrogen-bonded Turntrans78.3-2.5-170.200000114.5
62G96.9Very high96.6Very high11 Ų1146.2 Ų46.211%0.11326%0.262CS..  trans-76134.1176.500000113.7M59 Q60 G64 I65 Y118M59-G62 PolarHBondContact O-N 2.96Å; Q60-G62 PolarHBondContact O-N 2.87Å; G62-G64 PolarHBondContact O-N 3.48Å; G62-I65 PolarHBondContact O-N 3.47Å; G62-Y118 VanDerWaalsContact CA-OH 3.25Å; G62-Y118 WeakPolarHBondContact CA-OH 3.22Å; G62-Y118 PolarHBondContact N-OH 2.89Å; G62-Y118 VanDerWaalsContact N-OH 3.16Å
63V97.9Very high96.6Very high96 Ų9649.5 Ų49.558%0.58228%0.282SS*.THydrogen-bonded Turntrans-63.3117.6173.1177.10000109.4R115 L144V63-R115 WeakPolarHBondContact O-CD 3.39Å; V63-R115 PolarHBondContact O-NE 3.28Å; V63-L144 HydrophobicContact CG1-CD1 3.89Å
64G98.1Very high96.5Very high2 Ų252.5 Ų52.52%0.02130%0.295CS..THydrogen-bonded Turntrans75.324.7-175.300000114.7G62 Y146 L147G62-G64 PolarHBondContact O-N 3.48Å; G64-Y146 CarbonylContact O-C 3.43Å; G64-Y146 WeakPolarHBondContact O-CA 3.35Å; G64-Y146 WeakPolarHBondContact O-CD1 3.42Å; G64-L147 PolarHBondContact O-N 3.13Å
65I98.3Very high96.2Very high11 Ų1149.6 Ų49.66%0.05630%0.303CS..PPolyproline II helixtrans-101132.1164.4-55.5-62.6000108.7Y56 M59 G62 Y118 F150Y56-I65 HydrophobicContact CD1-CG2 4.41Å; M59-I65 HydrophobicContact CB-CD1 4.49Å; M59-I65 HydrophobicContact CB-CG1 4.36Å; M59-I65 HydrophobicContact CB-CG2 3.79Å; G62-I65 PolarHBondContact O-N 3.47Å; I65-Y118 HydrophobicContact CD1-CD1 4.07Å; I65-Y118 HydrophobicContact CD1-CE1 4.3Å; I65-Y118 HydrophobicContact CG1-CD1 4.02Å; I65-Y118 HydrophobicContact CG1-CE1 3.85Å; I65-F150 HydrophobicContact CD1-CZ 4.09Å
66P97.5Very high96Very high0 Ų052.8 Ų52.80%032%0.32CS..PPolyproline II helixtrans-57.8139.3173.3-22.230.3000112.7Y56 Q60 L68 I82 L85 Y146 L147 I148Y56-P66 HydrophobicContact CE1-CB 4.13Å; Y56-P66 HydrophobicContact CE1-CG 3.86Å; Q60-P66 PolarHBondContact NE2-O 3.18Å; P66-L68 PolarHBondContact O-N 3.33Å; P66-I82 HydrophobicContact CB-CB 4.36Å; P66-I82 HydrophobicContact CB-CD1 4.29Å; P66-L85 HydrophobicContact CG-CD1 4.11Å; P66-Y146 HydrophobicContact CG-CD1 4.41Å; P66-L147 WeakPolarHBondContact CD-O 3.39Å; P66-I148 HydrophobicContact CG-CG2 3.81Å
67C96.9Very high95.9Very high48 Ų4857.6 Ų57.632%0.32434%0.338SS..PPolyproline II helixtrans-67.6128.8170.5-176.20000110.5K69 I82 Q83C67-K69 PolarHBondContact O-N 2.74Å; C67-I82 CarbonylContact O-C 3.44Å; C67-I82 VanDerWaalsContact O-CA 3.32Å; C67-I82 WeakPolarHBondContact O-CA 3.37Å; C67-Q83 HydrophobicContact CB-CB 4.07Å; C67-Q83 PolarHBondContact O-N 2.82Å
68L97.1Very high95.8Very high35 Ų3550.3 Ų50.318%0.18331%0.307CS..EExtended strand (participates in β ladder)trans-79.9112172.3176.262.3000109.3K57 P66 L80 I82K57-L68 HydrophobicContact CB-CD2 3.91Å; P66-L68 PolarHBondContact O-N 3.33Å; L68-L80 HydrophobicContact CD1-CD1 3.33Å; L68-I82 HydrophobicContact CD1-CG2 4.25Å
69K96.5Very high95.8Very high62 Ų6245.9 Ų45.927%0.2728%0.284SS..EExtended strand (participates in β ladder)trans-87.3-46.4-179.1-63.1-73-174.1166.30111.7Y9 E33 V35 C67 V81Y9-K69 HydrophobicContact CE1-CB 4.42Å; Y9-K69 PolarHBondContact OH-O 2.99Å; E33-K69 VanDerWaalsContact OE1-CE 3.27Å; E33-K69 WeakPolarHBondContact OE1-CE 3.43Å; E33-K69 IonicContact OE1-NZ 3.23Å; E33-K69 PolarHBondContact OE1-NZ 2.7Å; E33-K69 IonicContact OE2-NZ 2.68Å; E33-K69 PolarHBondContact OE2-NZ 3.31Å; V35-K69 HydrophobicContact CG1-CG 4.23Å; C67-K69 PolarHBondContact O-N 2.74Å; K69-V81 HydrophobicContact CB-CB 4.31Å; K69-V81 HydrophobicContact CB-CG1 3.98Å; K69-V81 WeakPolarHBondContact CB-O 3.43Å; K69-V81 PolarHBondContact N-O 3.28Å
70W96.8Very high95.8Very high75 Ų7545.9 Ų45.928%0.28428%0.284SS..EExtended strand (participates in β ladder)trans-162.1159.1179.3-173.484.5000111.4V5 Y9 E74 V79 V81V5-W70 HydrophobicContact CG1-CE3 3.86Å; V5-W70 HydrophobicContact CG1-CH2 4.16Å; V5-W70 HydrophobicContact CG1-CZ3 3.39Å; Y9-W70 HydrophobicContact CD2-CB 4.4Å; Y9-W70 HydrophobicContact CE2-CB 3.45Å; Y9-W70 VanDerWaalsContact CE2-CB 3.45Å; Y9-W70 HydrophobicContact CE2-CD2 4.44Å; Y9-W70 AromaticContact CE2-CG 3.89Å; Y9-W70 HydrophobicContact CE2-CG 3.89Å; W70-E74 HydrophobicContact CH2-CG 3.92Å; W70-E74 HydrophobicContact CZ3-CG 4.44Å; W70-V79 HydrophobicContact CZ3-CB 4.01Å; W70-V79 HydrophobicContact CZ3-CG1 4.2Å; W70-V81 HydrophobicContact CB-CB 4.19Å; W70-V81 HydrophobicContact CB-CG2 4.4Å; W70-V81 HydrophobicContact CE3-CG2 4.07Å; W70-V81 PolarHBondContact N-O 3.02Å; W70-V81 VanDerWaalsContact N-O 3.13Å; W70-V81 PolarHBondContact O-N 3.24Å
71S96.3Very high95.9Very high55 Ų5543 Ų4339%0.38527%0.271SS..EExtended strand (participates in β ladder)trans-155.6139.2170.160.20000110.4V79S71-V79 VanDerWaalsContact CA-O 3.28Å; S71-V79 WeakPolarHBondContact CA-O 3.45Å
72G95.6Very high96.1Very high24 Ų2440 Ų4025%0.24724%0.235CC..EExtended strand (participates in β ladder)trans-170.3-159.2-179.100000112.5V79G72-V79 PolarHBondContact N-O 2.95Å; G72-V79 PolarHBondContact O-N 3.12Å
73T95.1Very high96.1Very high70 Ų7041.2 Ų41.243%0.42924%0.238SC..EExtended strand (participates in β ladder)trans-131.8129.1175.3-58.70000108.1V42 Y77 N78V42-T73 HydrophobicContact CG1-CG2 3.68Å; T73-Y77 CarbonylContact C-O 3.48Å; T73-Y77 VanDerWaalsContact CA-O 3.29Å; T73-Y77 WeakPolarHBondContact CA-O 3.34Å; T73-Y77 WeakPolarHBondContact CG2-O 3.37Å; T73-N78 PolarHBondContact OG1-OD1 3.03Å
74E92.6Very high96.1Very high70 Ų7038 Ų3833%0.32722%0.217SC..EExtended strand (participates in β ladder)trans-130.8109.9-176.8-68.2-73.2-165.700108.8V5 G6 W70 D76 Y77 V79V5-E74 HydrophobicContact CG1-CG 4.41Å; G6-E74 VanDerWaalsContact CA-OE1 3.26Å; G6-E74 WeakPolarHBondContact CA-OE1 3.35Å; G6-E74 PolarHBondContact N-OE1 3.46Å; W70-E74 HydrophobicContact CH2-CG 3.92Å; W70-E74 HydrophobicContact CZ3-CG 4.44Å; E74-D76 PolarHBondContact O-N 3.28Å; E74-Y77 PolarHBondContact N-O 3.48Å; E74-Y77 PolarHBondContact O-N 3.17Å; E74-V79 HydrophobicContact CB-CG2 4.15Å; E74-V79 HydrophobicContact CG-CG2 4.33Å
75G90.9Very high96Very high72 Ų7238.8 Ų38.874%0.74222%0.221SC*.THydrogen-bonded Turntrans53.7-123.1-172.900000112.2Y77G75-Y77 VanDerWaalsContact C-N 3.27Å; G75-Y77 PolarHBondContact O-N 3.16Å
76D93.2Very high96Very high73 Ų7338.8 Ų38.839%0.3922%0.224SC..THydrogen-bonded Turntrans-81.87.9-179.4-104-40.1000114.7C41 V42 K43 E74C41-D76 CarbonylContact C-O 3.5Å; C41-D76 WeakPolarHBondContact CA-O 3.42Å; V42-D76 PolarHBondContact N-O 2.72Å; K43-D76 WeakPolarHBondContact CE-OD1 3.44Å; K43-D76 IonicContact NZ-OD1 2.67Å; K43-D76 PolarHBondContact NZ-OD1 3.38Å; K43-D76 IonicContact NZ-OD2 2.88Å; K43-D76 PolarHBondContact NZ-OD2 2.77Å; E74-D76 PolarHBondContact O-N 3.28Å
77Y94.8Very high95.9Very high104 Ų10441.3 Ų41.341%0.40824%0.24SC..EExtended strand (participates in β ladder)trans-125.4131.1-175-63.4-88.7000113.8L39 E40 C41 T73 E74 G75L39-Y77 HydrophobicContact CB-CD1 4.07Å; E40-Y77 CarbonylContact O-C 3.53Å; E40-Y77 VanDerWaalsContact O-CA 3.32Å; E40-Y77 WeakPolarHBondContact O-CA 3.44Å; C41-Y77 HydrophobicContact CB-CD1 4.43Å; C41-Y77 HydrophobicContact CB-CE1 4.31Å; T73-Y77 CarbonylContact C-O 3.48Å; T73-Y77 VanDerWaalsContact CA-O 3.29Å; T73-Y77 WeakPolarHBondContact CA-O 3.34Å; T73-Y77 WeakPolarHBondContact CG2-O 3.37Å; E74-Y77 PolarHBondContact N-O 3.48Å; E74-Y77 PolarHBondContact O-N 3.17Å; G75-Y77 VanDerWaalsContact C-N 3.27Å; G75-Y77 PolarHBondContact O-N 3.16Å
78N95.6Very high96Very high7 Ų739.5 Ų39.54%0.03723%0.228CC..EExtended strand (participates in β ladder)trans-67.1141.5149.8-71.1-33.8000108.5E40 L49 Q50 T73E40-N78 HydrophobicContact CB-CB 4.21Å; E40-N78 PolarHBondContact N-O 3.22Å; E40-N78 PolarHBondContact O-N 2.85Å; E40-N78 PolarHBondContact OE2-ND2 3.37Å; L49-N78 HydrophobicContact CB-CB 4.22Å; L49-N78 HydrophobicContact CD2-CB 4.07Å; L49-N78 WeakPolarHBondContact CD2-O 3.39Å; Q50-N78 PolarHBondContact NE2-OD1 3.25Å; T73-N78 PolarHBondContact OG1-OD1 3.03Å
79V96.6Very high96Very high5 Ų537.9 Ų37.93%0.0322%0.219CC..EExtended strand (participates in β ladder)trans-137.1138.2-175.6-172.20000111.3V5 I37 L39 W70 S71 G72 E74 V81V5-V79 HydrophobicContact CG1-CB 4.23Å; V5-V79 HydrophobicContact CG1-CG1 3.5Å; V5-V79 HydrophobicContact CG2-CG1 4.37Å; I37-V79 HydrophobicContact CG2-CG1 3.65Å; L39-V79 HydrophobicContact CD2-CB 4.07Å; L39-V79 HydrophobicContact CD2-CG1 3.6Å; L39-V79 HydrophobicContact CD2-CG2 3.58Å; W70-V79 HydrophobicContact CZ3-CB 4.01Å; W70-V79 HydrophobicContact CZ3-CG1 4.2Å; S71-V79 VanDerWaalsContact CA-O 3.28Å; S71-V79 WeakPolarHBondContact CA-O 3.45Å; G72-V79 PolarHBondContact N-O 2.95Å; G72-V79 PolarHBondContact O-N 3.12Å; E74-V79 HydrophobicContact CB-CG2 4.15Å; E74-V79 HydrophobicContact CG-CG2 4.33Å; V79-V81 HydrophobicContact CG1-CG2 4.35Å
80L96.5Very high96.1Very high1 Ų136 Ų361%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-131.1122.2178.1170.162.2000109.2I37 K38 L49 E52 A53 Y56 L68 I82I37-L80 WeakPolarHBondContact CA-O 3.49Å; K38-L80 HydrophobicContact CB-CB 4.35Å; K38-L80 PolarHBondContact N-O 3.11Å; K38-L80 PolarHBondContact O-N 2.82Å; L49-L80 HydrophobicContact CD1-CB 3.65Å; L49-L80 HydrophobicContact CD1-CD2 3.6Å; L49-L80 HydrophobicContact CD1-CG 4.27Å; L49-L80 HydrophobicContact CD2-CB 4Å; L49-L80 HydrophobicContact CG-CB 3.8Å; L49-L80 HydrophobicContact CG-CD2 4.45Å; E52-L80 HydrophobicContact CG-CD2 4.07Å; A53-L80 HydrophobicContact CB-CD1 4.06Å; Y56-L80 HydrophobicContact CD2-CD1 4.46Å; Y56-L80 HydrophobicContact CD2-CD2 3.97Å; Y56-L80 HydrophobicContact CE2-CD2 3.77Å; L68-L80 HydrophobicContact CD1-CD1 3.33Å; L80-I82 HydrophobicContact CD1-CG2 3.82Å; L80-I82 HydrophobicContact CD2-CG2 4.47Å; L80-I82 HydrophobicContact CG-CG2 3.99Å
81V97.2Very high96.1Very high0 Ų033.9 Ų33.90%021%0.206CC..EExtended strand (participates in β ladder)trans-112.3122.5177.9-172.40000108.9V5 Y9 V35 A36 I37 K69 W70 V79V5-V81 HydrophobicContact CG1-CG2 4.24Å; Y9-V81 HydrophobicContact CD1-CG1 3.81Å; Y9-V81 HydrophobicContact CD2-CB 4.49Å; Y9-V81 HydrophobicContact CD2-CG1 4.33Å; Y9-V81 HydrophobicContact CD2-CG2 3.94Å; Y9-V81 HydrophobicContact CE1-CG1 3.85Å; Y9-V81 HydrophobicContact CE2-CB 4.47Å; Y9-V81 HydrophobicContact CE2-CG1 4.39Å; Y9-V81 HydrophobicContact CE2-CG2 4.32Å; Y9-V81 HydrophobicContact CG-CG1 4.04Å; Y9-V81 HydrophobicContact CG-CG2 4.18Å; V35-V81 HydrophobicContact CB-CG1 3.76Å; V35-V81 HydrophobicContact CG1-CG1 4.15Å; V35-V81 HydrophobicContact CG2-CG1 3.71Å; A36-V81 WeakPolarHBondContact O-CA 3.5Å; I37-V81 HydrophobicContact CD1-CG2 4.47Å; I37-V81 HydrophobicContact CG1-CG1 4.26Å; I37-V81 HydrophobicContact CG1-CG2 4.14Å; I37-V81 HydrophobicContact CG2-CG2 4.3Å; K69-V81 HydrophobicContact CB-CB 4.31Å; K69-V81 HydrophobicContact CB-CG1 3.98Å; K69-V81 WeakPolarHBondContact CB-O 3.43Å; K69-V81 PolarHBondContact N-O 3.28Å; W70-V81 HydrophobicContact CB-CB 4.19Å; W70-V81 HydrophobicContact CB-CG2 4.4Å; W70-V81 HydrophobicContact CE3-CG2 4.07Å; W70-V81 PolarHBondContact N-O 3.02Å; W70-V81 VanDerWaalsContact N-O 3.13Å; W70-V81 PolarHBondContact O-N 3.24Å; V79-V81 HydrophobicContact CG1-CG2 4.35Å
82I97Very high96.2Very high20 Ų2031.6 Ų31.610%0.10319%0.189CC..EExtended strand (participates in β ladder)trans-131.7164.8-178.661.3175.8000111.1A36 P66 C67 L68 L80 L84A36-I82 HydrophobicContact CB-CG1 4.05Å; A36-I82 PolarHBondContact N-O 2.64Å; A36-I82 PolarHBondContact O-N 3.19Å; P66-I82 HydrophobicContact CB-CB 4.36Å; P66-I82 HydrophobicContact CB-CD1 4.29Å; C67-I82 CarbonylContact O-C 3.44Å; C67-I82 VanDerWaalsContact O-CA 3.32Å; C67-I82 WeakPolarHBondContact O-CA 3.37Å; L68-I82 HydrophobicContact CD1-CG2 4.25Å; L80-I82 HydrophobicContact CD1-CG2 3.82Å; L80-I82 HydrophobicContact CD2-CG2 4.47Å; L80-I82 HydrophobicContact CG-CG2 3.99Å; I82-L84 PolarHBondContact O-N 3.32Å
83Q97.2Very high96.3Very high36 Ų3630.5 Ų30.517%0.16818%0.178CC..EExtended strand (participates in β ladder)trans-48.2129.1169.2167.5164.93000111.6C67 L85C67-Q83 HydrophobicContact CB-CB 4.07Å; C67-Q83 PolarHBondContact O-N 2.82Å; Q83-L85 HydrophobicContact CG-CD2 4.22Å
84L97.6Very high96.4Very high28 Ų2830 Ų3015%0.14717%0.173CC..  trans-67.7144168.4-173.365000110.6I15 L25 E34 A36 I82 L138I15-L84 HydrophobicContact CD1-CD1 4.18Å; L25-L84 HydrophobicContact CD1-CD1 4.44Å; L25-L84 HydrophobicContact CD1-CD2 3.67Å; E34-L84 HydrophobicContact CB-CD2 3.65Å; E34-L84 WeakPolarHBondContact O-CB 3.46Å; A36-L84 HydrophobicContact CB-CD1 4.12Å; I82-L84 PolarHBondContact O-N 3.32Å; L84-L138 HydrophobicContact CB-CD1 4.42Å; L84-L138 HydrophobicContact CD2-CD1 4.36Å; L84-L138 HydrophobicContact CG-CD1 4.13Å
85L97.7Very high96.6Very high18 Ų1829.8 Ų29.89%0.09417%0.171CC..  trans-127.3173.6179.8-66.8178.2000110.7P66 Q83 L135 Y146 I148P66-L85 HydrophobicContact CG-CD1 4.11Å; Q83-L85 HydrophobicContact CG-CD2 4.22Å; L85-L135 HydrophobicContact CB-CB 4.14Å; L85-L135 HydrophobicContact CB-CD2 3.86Å; L85-L135 HydrophobicContact CD1-CB 4.05Å; L85-L135 HydrophobicContact CD1-CD2 4.24Å; L85-Y146 HydrophobicContact CD1-CD1 3.93Å; L85-Y146 HydrophobicContact CD1-CD2 4.39Å; L85-Y146 HydrophobicContact CD1-CG 3.73Å; L85-Y146 HydrophobicContact CD2-CD1 3.84Å; L85-Y146 HydrophobicContact CD2-CD2 3.74Å; L85-Y146 HydrophobicContact CD2-CE1 3.9Å; L85-Y146 HydrophobicContact CD2-CE2 3.8Å; L85-Y146 HydrophobicContact CD2-CG 3.76Å; L85-Y146 HydrophobicContact CG-CG 4.43Å; L85-I148 HydrophobicContact CD1-CG2 4.03Å
86G97.2Very high96.9Very high12 Ų1227.1 Ų27.112%0.12414%0.141CC..  trans-78.8-167.8173.700000113.2L135 M136G86-L135 WeakPolarHBondContact O-CD2 3.47Å; G86-M136 VanDerWaalsContact CA-O 3.31Å; G86-M136 WeakPolarHBondContact CA-O 3.47Å; G86-M136 PolarHBondContact N-O 3.24Å
87P96.6Very high97.1Very high52 Ų5226.8 Ų26.834%0.33815%0.154SC..  trans-62.4156.6-178.526.7-35.7000112.8D91 L92 L135 M136P87-D91 HydrophobicContact CB-CB 3.92Å; P87-L92 HydrophobicContact CB-CD2 4.34Å; P87-L92 HydrophobicContact CB-CG 4.12Å; P87-L92 HydrophobicContact CG-CD1 4.11Å; P87-L92 HydrophobicContact CG-CD2 3.65Å; P87-L92 HydrophobicContact CG-CG 3.78Å; P87-L135 WeakPolarHBondContact O-CA 3.08Å; P87-M136 PolarHBondContact O-N 3.18Å
88S97.6Very high97.2Very high11 Ų1125.5 Ų25.58%0.07715%0.149CC..BIsolated β-bridgetrans-72.6165.3172.474.70000111.8E90 D91 L92 F134S88-E90 PolarHBondContact O-N 3.48Å; S88-E90 PolarHBondContact OG-N 2.95Å; S88-D91 VanDerWaalsContact CB-OD2 3.29Å; S88-D91 WeakPolarHBondContact CB-OD2 3.23Å; S88-D91 PolarHBondContact N-OD2 2.79Å; S88-D91 PolarHBondContact O-N 3.11Å; S88-D91 VanDerWaalsContact OG-CG 3.24Å; S88-D91 PolarHBondContact OG-N 3.44Å; S88-D91 VanDerWaalsContact OG-N 3.12Å; S88-D91 PolarHBondContact OG-OD2 3.19Å; S88-L92 WeakPolarHBondContact O-CG 3.41Å; S88-L92 PolarHBondContact O-N 3.25Å; S88-F134 CarbonylContact C-O 3.58Å; S88-F134 VanDerWaalsContact CA-O 3.27Å; S88-F134 WeakPolarHBondContact CA-O 3.33Å
89L98.6Very high97.3Very high0 Ų032.9 Ų32.90%018%0.176CC..Hα-helixtrans-66.9-23.3172.2-61.5-175.6000112.2L92 F93 L108 P131 F134 M136 F206 W290L89-L92 HydrophobicContact CD2-CD1 4.28Å; L89-F93 WeakPolarHBondContact O-CB 3.44Å; L89-F93 PolarHBondContact O-N 2.69Å; L89-L108 HydrophobicContact CD1-CD1 4.23Å; L89-L108 HydrophobicContact CD1-CD2 3.9Å; L89-L108 HydrophobicContact CD2-CD1 4.23Å; L89-L108 HydrophobicContact CD2-CD2 3.7Å; L89-L108 HydrophobicContact CG-CD2 4.49Å; L89-P131 HydrophobicContact CB-CB 4.23Å; L89-P131 PolarHBondContact N-O 3.3Å; L89-F134 HydrophobicContact CD1-CB 3.52Å; L89-F134 HydrophobicContact CD1-CD2 4.47Å; L89-F134 HydrophobicContact CD1-CG 4.19Å; L89-F134 HydrophobicContact CG-CB 3.74Å; L89-F134 PolarHBondContact N-O 3.16Å; L89-M136 HydrophobicContact CD2-CG 4.44Å; L89-M136 HydrophobicContact CD2-SD 4.06Å; L89-F206 HydrophobicContact CB-CE1 4.18Å; L89-F206 HydrophobicContact CB-CZ 3.65Å; L89-F206 HydrophobicContact CD1-CE2 4.1Å; L89-F206 HydrophobicContact CD1-CZ 3.91Å; L89-F206 HydrophobicContact CG-CZ 4.43Å; L89-W290 HydrophobicContact CD2-CH2 4.25Å
90E98.1Very high97.3Very high22 Ų2232.9 Ų32.910%0.10318%0.175CC..Hα-helixtrans-71.6-42.1170.6-173.662.2-144.500111.1S88 F93 N94 R98 P131 Y205S88-E90 PolarHBondContact O-N 3.48Å; S88-E90 PolarHBondContact OG-N 2.95Å; E90-F93 WeakPolarHBondContact O-CB 3.29Å; E90-F93 PolarHBondContact O-N 2.91Å; E90-N94 PolarHBondContact O-N 3.37Å; E90-N94 PolarHBondContact O-ND2 2.89Å; E90-N94 PolarHBondContact OE1-ND2 2.99Å; E90-R98 IonicContact OE1-CZ 2.87Å; E90-R98 IonicContact OE1-NH1 2.63Å; E90-R98 PolarHBondContact OE1-NH1 3.31Å; E90-P131 HydrophobicContact CB-CB 4.04Å; E90-Y205 PolarHBondContact OE1-OH 2.96Å; E90-Y205 WeakPolarHBondContact OE2-CE1 3.34Å; E90-Y205 VanDerWaalsContact OE2-CZ 3.31Å; E90-Y205 PolarHBondContact OE2-OH 3.1Å
91D96.8Very high97.4Very high31 Ų3138.9 Ų38.917%0.16620%0.202CC..Hα-helixtrans-62.5-45.9177.1-58-59.4000110.9P87 S88 F93 N94 F95 S420P87-D91 HydrophobicContact CB-CB 3.92Å; S88-D91 VanDerWaalsContact CB-OD2 3.29Å; S88-D91 WeakPolarHBondContact CB-OD2 3.23Å; S88-D91 PolarHBondContact N-OD2 2.79Å; S88-D91 PolarHBondContact O-N 3.11Å; S88-D91 VanDerWaalsContact OG-CG 3.24Å; S88-D91 PolarHBondContact OG-N 3.44Å; S88-D91 VanDerWaalsContact OG-N 3.12Å; S88-D91 PolarHBondContact OG-OD2 3.19Å; D91-F93 VanDerWaalsContact C-N 3.3Å; D91-F93 PolarHBondContact O-N 3.08Å; D91-N94 PolarHBondContact O-N 3.14Å; D91-F95 PolarHBondContact O-N 3.4Å; D91-S420 VanDerWaalsContact OD1-CB 3.29Å; D91-S420 WeakPolarHBondContact OD1-CB 3.45Å; D91-S420 PolarHBondContact OD1-OG 3.32Å
92L98.1Very high97.5Very high8 Ų840.3 Ų40.34%0.04221%0.209CC..Hα-helixtrans-64.8-34.3175.6-69.4171.7000112.3P87 S88 L89 F95 C96 F100 M136 W290P87-L92 HydrophobicContact CB-CD2 4.34Å; P87-L92 HydrophobicContact CB-CG 4.12Å; P87-L92 HydrophobicContact CG-CD1 4.11Å; P87-L92 HydrophobicContact CG-CD2 3.65Å; P87-L92 HydrophobicContact CG-CG 3.78Å; S88-L92 WeakPolarHBondContact O-CG 3.41Å; S88-L92 PolarHBondContact O-N 3.25Å; L89-L92 HydrophobicContact CD2-CD1 4.28Å; L92-F95 PolarHBondContact O-N 3.43Å; L92-C96 WeakPolarHBondContact O-CB 3.44Å; L92-C96 PolarHBondContact O-N 3.4Å; L92-C96 PolarHBondContact O-SG 3.09Å; L92-F100 HydrophobicContact CB-CZ 4.24Å; L92-M136 HydrophobicContact CD1-CB 4.43Å; L92-M136 HydrophobicContact CD1-CG 3.43Å; L92-M136 VanDerWaalsContact CD1-CG 3.43Å; L92-W290 HydrophobicContact CB-CD2 4.25Å; L92-W290 HydrophobicContact CB-CE3 3.88Å; L92-W290 HydrophobicContact CB-CZ3 4.27Å; L92-W290 HydrophobicContact CD1-CD2 3.9Å; L92-W290 HydrophobicContact CD1-CE3 4.12Å; L92-W290 HydrophobicContact CD1-CG 4.47Å; L92-W290 HydrophobicContact CD1-CH2 4.19Å; L92-W290 HydrophobicContact CD1-CZ2 3.96Å; L92-W290 HydrophobicContact CD1-CZ3 4.26Å; L92-W290 HydrophobicContact CD2-CB 3.91Å; L92-W290 HydrophobicContact CD2-CD2 3.94Å; L92-W290 HydrophobicContact CD2-CE3 4.42Å; L92-W290 HydrophobicContact CD2-CG 3.71Å; L92-W290 HydrophobicContact CG-CD2 4.25Å; L92-W290 HydrophobicContact CG-CE3 4.37Å
93F98.3Very high97.6Very high0 Ų041.2 Ų41.20%021%0.212CC..Hα-helixtrans-66.8-42.8175.4-173-129.4000111.9L89 E90 D91 C96 R98 F100 Y205 F206L89-F93 WeakPolarHBondContact O-CB 3.44Å; L89-F93 PolarHBondContact O-N 2.69Å; E90-F93 WeakPolarHBondContact O-CB 3.29Å; E90-F93 PolarHBondContact O-N 2.91Å; D91-F93 VanDerWaalsContact C-N 3.3Å; D91-F93 PolarHBondContact O-N 3.08Å; F93-C96 CarbonylContact O-C 3.56Å; F93-C96 PolarHBondContact O-N 3.01Å; F93-R98 HydrophobicContact CD1-CB 4.45Å; F93-R98 HydrophobicContact CE1-CB 4.23Å; F93-R98 WeakPolarHBondContact CE2-O 3.36Å; F93-R98 HydrophobicContact CZ-CB 4.46Å; F93-R98 WeakPolarHBondContact CZ-O 3.26Å; F93-R98 WeakPolarHBondContact O-CA 3.19Å; F93-R98 PolarHBondContact O-N 3.17Å; F93-F100 VanDerWaalsContact CA-CZ 3.5Å; F93-F100 HydrophobicContact CB-CE1 4.28Å; F93-F100 HydrophobicContact CB-CE2 4.21Å; F93-F100 HydrophobicContact CB-CZ 3.78Å; F93-F100 HydrophobicContact CD2-CD1 4.08Å; F93-F100 HydrophobicContact CD2-CD2 4.01Å; F93-F100 HydrophobicContact CD2-CE1 4.05Å; F93-F100 AromaticContact CD2-CE2 3.96Å; F93-F100 HydrophobicContact CD2-CE2 3.96Å; F93-F100 HydrophobicContact CD2-CG 4.04Å; F93-F100 AromaticContact CD2-CZ 3.98Å; F93-F100 HydrophobicContact CD2-CZ 3.98Å; F93-F100 HydrophobicContact CE2-CG 4.44Å; F93-F100 HydrophobicContact CG-CZ 4.4Å; F93-Y205 HydrophobicContact CD1-CD1 4.46Å; F93-Y205 AromaticContact CD1-CE1 3.68Å; F93-Y205 HydrophobicContact CD1-CE1 3.68Å; F93-Y205 AromaticContact CD1-CZ 3.99Å; F93-Y205 AromaticContact CE1-CD1 4Å; F93-Y205 HydrophobicContact CE1-CD1 4Å; F93-Y205 AromaticContact CE1-CE1 3.48Å; F93-Y205 HydrophobicContact CE1-CE1 3.48Å; F93-Y205 VanDerWaalsContact CE1-CE1 3.48Å; F93-Y205 HydrophobicContact CE1-CE2 4.2Å; F93-Y205 AromaticContact CE1-CZ 3.62Å; F93-Y205 HydrophobicContact CZ-CD1 4.48Å; F93-Y205 HydrophobicContact CZ-CE1 4.36Å; F93-Y205 WeakPolarHBondContact CZ-O 3.48Å; F93-F206 HydrophobicContact CB-CD1 4.41Å; F93-F206 HydrophobicContact CB-CE1 4.33Å; F93-F206 HydrophobicContact CD1-CD1 4.4Å; F93-F206 AromaticContact CD2-CD1 3.81Å; F93-F206 HydrophobicContact CD2-CD1 3.81Å; F93-F206 HydrophobicContact CE2-CB 4.3Å; F93-F206 AromaticContact CE2-CD1 3.99Å; F93-F206 HydrophobicContact CE2-CD1 3.99Å; F93-F206 VanDerWaalsContact CE2-O 3.3Å; F93-F206 WeakPolarHBondContact CE2-O 3.46Å; F93-F206 HydrophobicContact CG-CD1 4.01Å; F93-F206 HydrophobicContact CG-CE1 4.34Å; F93-F206 HydrophobicContact CZ-CD1 4.32Å
94N97.7Very high97.6Very high61 Ų6139.5 Ų39.533%0.32620%0.204SC..Hα-helixtrans-65.6-40.2173.7-71.2-69.1000111.7E90 D91 C96 G97 R98E90-N94 PolarHBondContact O-N 3.37Å; E90-N94 PolarHBondContact O-ND2 2.89Å; E90-N94 PolarHBondContact OE1-ND2 2.99Å; D91-N94 PolarHBondContact O-N 3.14Å; N94-C96 VanDerWaalsContact C-N 3.33Å; N94-C96 PolarHBondContact O-N 3.02Å; N94-G97 PolarHBondContact O-N 3.17Å; N94-G97 VanDerWaalsContact O-N 3.15Å; N94-R98 VanDerWaalsContact OD1-CD 3.3Å; N94-R98 WeakPolarHBondContact OD1-CD 3.39Å; N94-R98 WeakPolarHBondContact OD1-CG 3.29Å; N94-R98 PolarHBondContact OD1-NH1 3.3Å
95F96.4Very high97.7Very high64 Ų6438.2 Ų38.228%0.28120%0.197SC..Hα-helixtrans-60.4-38.6173.1176-120.6000112.9D91 L92 G97 W290 L293 M416D91-F95 PolarHBondContact O-N 3.4Å; L92-F95 PolarHBondContact O-N 3.43Å; F95-G97 PolarHBondContact O-N 3.27Å; F95-W290 HydrophobicContact CD1-CB 3.8Å; F95-W290 HydrophobicContact CE1-CB 3.89Å; F95-L293 HydrophobicContact CD1-CD1 4.25Å; F95-L293 HydrophobicContact CE1-CB 3.74Å; F95-L293 HydrophobicContact CE1-CD1 3.98Å; F95-L293 HydrophobicContact CZ-CB 3.63Å; F95-L293 HydrophobicContact CZ-CD1 4.25Å; F95-M416 HydrophobicContact CB-SD 4.33Å; F95-M416 HydrophobicContact CD2-CE 3.4Å; F95-M416 HydrophobicContact CD2-SD 3.86Å; F95-M416 HydrophobicContact CE2-CE 3.45Å; F95-M416 VanDerWaalsContact CE2-CE 3.45Å; F95-M416 HydrophobicContact CE2-SD 4.4Å; F95-M416 HydrophobicContact CG-CE 4.18Å; F95-M416 HydrophobicContact CG-SD 4.09Å; F95-M416 HydrophobicContact CZ-CE 4.25Å
96C97.2Very high97.7Very high17 Ų1737.6 Ų37.612%0.11519%0.194CC..THydrogen-bonded Turntrans-81.927.4174.3-66.20000114.1L92 F93 N94 R98 R99 F100 D289 L293L92-C96 WeakPolarHBondContact O-CB 3.44Å; L92-C96 PolarHBondContact O-N 3.4Å; L92-C96 PolarHBondContact O-SG 3.09Å; F93-C96 CarbonylContact O-C 3.56Å; F93-C96 PolarHBondContact O-N 3.01Å; N94-C96 VanDerWaalsContact C-N 3.33Å; N94-C96 PolarHBondContact O-N 3.02Å; C96-R98 PolarHBondContact O-N 3.39Å; C96-R99 PolarHBondContact O-N 3.27Å; C96-F100 HydrophobicContact CB-CD1 3.83Å; C96-F100 HydrophobicContact CB-CE1 3.72Å; C96-D289 HydrophobicContact CB-CB 4.5Å; C96-L293 HydrophobicContact CB-CD1 4.32Å
97G96.4Very high97.8Very high65 Ų6537 Ų3767%0.6719%0.188SC*.THydrogen-bonded Turntrans65.424.2175.900000114.4N94 F95 R99N94-G97 PolarHBondContact O-N 3.17Å; N94-G97 VanDerWaalsContact O-N 3.15Å; F95-G97 PolarHBondContact O-N 3.27Å; G97-R99 VanDerWaalsContact C-N 3.34Å; G97-R99 PolarHBondContact O-N 3.03Å
98R97.4Very high97.9Very high78 Ų7834.5 Ų34.529%0.29417%0.172SC..THydrogen-bonded Turntrans59.433.7-178.8-58.4-172.757.371.916.6115E90 F93 N94 C96 Y205 G209E90-R98 IonicContact OE1-CZ 2.87Å; E90-R98 IonicContact OE1-NH1 2.63Å; E90-R98 PolarHBondContact OE1-NH1 3.31Å; F93-R98 HydrophobicContact CD1-CB 4.45Å; F93-R98 HydrophobicContact CE1-CB 4.23Å; F93-R98 WeakPolarHBondContact CE2-O 3.36Å; F93-R98 HydrophobicContact CZ-CB 4.46Å; F93-R98 WeakPolarHBondContact CZ-O 3.26Å; F93-R98 WeakPolarHBondContact O-CA 3.19Å; F93-R98 PolarHBondContact O-N 3.17Å; N94-R98 VanDerWaalsContact OD1-CD 3.3Å; N94-R98 WeakPolarHBondContact OD1-CD 3.39Å; N94-R98 WeakPolarHBondContact OD1-CG 3.29Å; N94-R98 PolarHBondContact OD1-NH1 3.3Å; C96-R98 PolarHBondContact O-N 3.39Å; R98-Y205 PolarHBondContact NH2-OH 3.21Å; R98-G209 PolarHBondContact NH2-O 3.28Å; R98-G209 VanDerWaalsContact NH2-O 3.14Å; R98-G209 WeakPolarHBondContact O-CA 3.32Å
99R96.7Very high98Very high162 Ų16234 Ų3461%0.61117%0.168SC*.  trans-151124.3166.1-171.6172.4180-176.9-3.4110.8C96 G97C96-R99 PolarHBondContact O-N 3.27Å; G97-R99 VanDerWaalsContact C-N 3.34Å; G97-R99 PolarHBondContact O-N 3.03Å
100F98.4Very high98Very high4 Ų434.3 Ų34.32%0.01817%0.17CC..  trans-92.2149.9171.4-69.8-30.2000111L92 F93 C96 T104 V105 L108 F206 D289 W290L92-F100 HydrophobicContact CB-CZ 4.24Å; F93-F100 VanDerWaalsContact CA-CZ 3.5Å; F93-F100 HydrophobicContact CB-CE1 4.28Å; F93-F100 HydrophobicContact CB-CE2 4.21Å; F93-F100 HydrophobicContact CB-CZ 3.78Å; F93-F100 HydrophobicContact CD2-CD1 4.08Å; F93-F100 HydrophobicContact CD2-CD2 4.01Å; F93-F100 HydrophobicContact CD2-CE1 4.05Å; F93-F100 AromaticContact CD2-CE2 3.96Å; F93-F100 HydrophobicContact CD2-CE2 3.96Å; F93-F100 HydrophobicContact CD2-CG 4.04Å; F93-F100 AromaticContact CD2-CZ 3.98Å; F93-F100 HydrophobicContact CD2-CZ 3.98Å; F93-F100 HydrophobicContact CE2-CG 4.44Å; F93-F100 HydrophobicContact CG-CZ 4.4Å; C96-F100 HydrophobicContact CB-CD1 3.83Å; C96-F100 HydrophobicContact CB-CE1 3.72Å; F100-T104 HydrophobicContact CB-CG2 3.87Å; F100-T104 HydrophobicContact CD1-CG2 3.97Å; F100-T104 HydrophobicContact CD2-CG2 3.95Å; F100-T104 HydrophobicContact CE1-CG2 4.5Å; F100-T104 HydrophobicContact CG-CG2 3.68Å; F100-V105 HydrophobicContact CB-CG2 3.67Å; F100-V105 HydrophobicContact CD2-CG2 4.43Å; F100-L108 HydrophobicContact CD2-CD1 4.02Å; F100-L108 HydrophobicContact CE2-CD1 3.86Å; F100-F206 HydrophobicContact CB-CB 4.49Å; F100-F206 HydrophobicContact CD2-CB 3.77Å; F100-F206 AromaticContact CD2-CD1 3.74Å; F100-F206 HydrophobicContact CD2-CD1 3.74Å; F100-F206 HydrophobicContact CD2-CD2 4.29Å; F100-F206 HydrophobicContact CD2-CE1 4.39Å; F100-F206 AromaticContact CD2-CG 3.69Å; F100-F206 HydrophobicContact CD2-CG 3.69Å; F100-F206 AromaticContact CE2-CD1 3.61Å; F100-F206 HydrophobicContact CE2-CD1 3.61Å; F100-F206 HydrophobicContact CE2-CD2 4.44Å; F100-F206 AromaticContact CE2-CE1 3.82Å; F100-F206 HydrophobicContact CE2-CE1 3.82Å; F100-F206 AromaticContact CE2-CG 3.97Å; F100-F206 HydrophobicContact CE2-CG 3.97Å; F100-F206 HydrophobicContact CE2-CZ 4.33Å; F100-F206 PolarHBondContact N-O 3.32Å; F100-F206 VanDerWaalsContact N-O 3.11Å; F100-D289 WeakPolarHBondContact CA-OD2 3.16Å; F100-W290 HydrophobicContact CD1-CZ3 4.48Å; F100-W290 AromaticContact CE1-CE3 3.81Å; F100-W290 HydrophobicContact CE1-CE3 3.81Å; F100-W290 AromaticContact CE1-CZ3 3.77Å; F100-W290 HydrophobicContact CE1-CZ3 3.77Å; F100-W290 HydrophobicContact CE2-CZ3 4.12Å; F100-W290 AromaticContact CZ-CE3 3.99Å; F100-W290 HydrophobicContact CZ-CE3 3.99Å; F100-W290 AromaticContact CZ-CZ3 3.58Å; F100-W290 HydrophobicContact CZ-CZ3 3.58Å
101K97.9Very high98Very high128 Ų12833.8 Ų33.856%0.55717%0.167SC*.  trans-72.8156.8170-61.6-178.2-160.6171.90110.3K103 T104 V105 D289K101-K103 VanDerWaalsContact C-N 3.32Å; K101-K103 PolarHBondContact O-N 3.45Å; K101-T104 WeakPolarHBondContact O-CB 3.42Å; K101-T104 PolarHBondContact O-N 2.79Å; K101-T104 VanDerWaalsContact O-N 3.08Å; K101-V105 PolarHBondContact O-N 3.35Å; K101-V105 VanDerWaalsContact O-N 3.11Å; K101-D289 WeakPolarHBondContact CD-OD1 3.29Å; K101-D289 VanDerWaalsContact CE-OD1 3.25Å; K101-D289 WeakPolarHBondContact CE-OD1 3.32Å; K101-D289 WeakPolarHBondContact CG-OD1 3.35Å; K101-D289 PolarHBondContact N-OD2 3.21Å; K101-D289 IonicContact NZ-OD1 2.73Å
102L98.6Very high98.1Very high29 Ų2932.4 Ų32.415%0.15216%0.16CC..Hα-helixtrans-54.1-46.1-179.4-177.660.3000112.2T104 V105 L106 L207 P245 M248 L276 E280 F282L102-T104 PolarHBondContact O-N 2.7Å; L102-V105 PolarHBondContact O-N 3.1Å; L102-V105 VanDerWaalsContact O-N 3.13Å; L102-L106 HydrophobicContact CD1-CD1 3.96Å; L102-L106 HydrophobicContact CD1-CD2 4.28Å; L102-L106 HydrophobicContact CD1-CG 3.94Å; L102-L106 HydrophobicContact CD2-CD1 4.42Å; L102-L106 HydrophobicContact CG-CD1 3.78Å; L102-L106 HydrophobicContact CG-CG 4.2Å; L102-L106 VanDerWaalsContact O-CG 3.32Å; L102-L106 WeakPolarHBondContact O-CG 3.31Å; L102-L106 PolarHBondContact O-N 3.43Å; L102-L207 HydrophobicContact CD1-CD2 4.19Å; L102-P245 HydrophobicContact CD1-CG 4.01Å; L102-P245 HydrophobicContact CD2-CG 3.75Å; L102-M248 HydrophobicContact CD1-CE 4.38Å; L102-L276 HydrophobicContact CD1-CD2 4.38Å; L102-E280 HydrophobicContact CD2-CG 3.95Å; L102-F282 HydrophobicContact CB-CE2 4.28Å; L102-F282 HydrophobicContact CB-CZ 4.36Å; L102-F282 HydrophobicContact CD2-CE2 4.21Å; L102-F282 HydrophobicContact CD2-CZ 4.47Å; L102-F282 HydrophobicContact CG-CE2 4.09Å
103K98.5Very high98.1Very high39 Ų3932 Ų3217%0.1716%0.158CC..Hα-helixtrans-49.3-52174.3-175.4-173.9175.3-169.90112.5K101 V105 L106 L107 F277 F282 T283 D285K101-K103 VanDerWaalsContact C-N 3.32Å; K101-K103 PolarHBondContact O-N 3.45Å; K103-V105 PolarHBondContact O-N 3.42Å; K103-L106 PolarHBondContact O-N 2.82Å; K103-L107 HydrophobicContact CG-CD1 4.31Å; K103-L107 WeakPolarHBondContact O-CG 3.25Å; K103-L107 PolarHBondContact O-N 2.92Å; K103-F277 HydrophobicContact CG-CE2 3.79Å; K103-F277 HydrophobicContact CG-CZ 4.27Å; K103-F282 HydrophobicContact CB-CD1 4.14Å; K103-F282 HydrophobicContact CB-CD2 3.85Å; K103-F282 HydrophobicContact CB-CE1 4.23Å; K103-F282 HydrophobicContact CB-CE2 3.94Å; K103-F282 HydrophobicContact CB-CG 3.97Å; K103-F282 HydrophobicContact CB-CZ 4.14Å; K103-F282 HydrophobicContact CD-CB 4.42Å; K103-F282 HydrophobicContact CD-CD1 4.45Å; K103-F282 HydrophobicContact CD-CG 4.41Å; K103-F282 HydrophobicContact CG-CB 4.14Å; K103-F282 HydrophobicContact CG-CD1 4.37Å; K103-F282 HydrophobicContact CG-CD2 4.16Å; K103-F282 HydrophobicContact CG-CG 3.98Å; K103-T283 VanDerWaalsContact CE-O 3.27Å; K103-T283 WeakPolarHBondContact CE-O 3.44Å; K103-D285 VanDerWaalsContact CE-OD1 3.28Å; K103-D285 WeakPolarHBondContact CE-OD1 3.49Å; K103-D285 IonicContact NZ-OD1 2.95Å; K103-D285 PolarHBondContact NZ-OD1 2.85Å; K103-D285 IonicContact NZ-OD2 2.69Å; K103-D285 PolarHBondContact NZ-OD2 2.75Å
104T98.7Very high98.1Very high1 Ų134 Ų341%0.00617%0.17CC..Hα-helixtrans-59.7-45.1178.9-63.10000111.6F100 K101 L102 L106 L107 L108 F288 D289 W290F100-T104 HydrophobicContact CB-CG2 3.87Å; F100-T104 HydrophobicContact CD1-CG2 3.97Å; F100-T104 HydrophobicContact CD2-CG2 3.95Å; F100-T104 HydrophobicContact CE1-CG2 4.5Å; F100-T104 HydrophobicContact CG-CG2 3.68Å; K101-T104 WeakPolarHBondContact O-CB 3.42Å; K101-T104 PolarHBondContact O-N 2.79Å; K101-T104 VanDerWaalsContact O-N 3.08Å; L102-T104 PolarHBondContact O-N 2.7Å; T104-L106 PolarHBondContact O-N 3.38Å; T104-L107 PolarHBondContact O-N 3.19Å; T104-L108 HydrophobicContact CG2-CD1 4.15Å; T104-L108 WeakPolarHBondContact O-CB 3.08Å; T104-L108 VanDerWaalsContact O-CG 3.29Å; T104-L108 WeakPolarHBondContact O-CG 3.12Å; T104-L108 PolarHBondContact O-N 2.87Å; T104-F288 HydrophobicContact CG2-CB 4.22Å; T104-F288 HydrophobicContact CG2-CD1 4.15Å; T104-D289 WeakPolarHBondContact CB-OD2 3.32Å; T104-D289 PolarHBondContact OG1-N 3.08Å; T104-D289 VanDerWaalsContact OG1-N 3.11Å; T104-D289 PolarHBondContact OG1-OD1 3.49Å; T104-D289 PolarHBondContact OG1-OD2 2.88Å; T104-W290 HydrophobicContact CG2-CE3 4.47Å; T104-W290 HydrophobicContact CG2-CH2 4.24Å; T104-W290 HydrophobicContact CG2-CZ3 3.74Å
105V98.8Very high98.2Very high0 Ų031.4 Ų31.40%016%0.156CC..Hα-helixtrans-66.2-37.6179.4179.30000111.8F100 K101 L102 K103 L108 A109 L203 F206 L207F100-V105 HydrophobicContact CB-CG2 3.67Å; F100-V105 HydrophobicContact CD2-CG2 4.43Å; K101-V105 PolarHBondContact O-N 3.35Å; K101-V105 VanDerWaalsContact O-N 3.11Å; L102-V105 PolarHBondContact O-N 3.1Å; L102-V105 VanDerWaalsContact O-N 3.13Å; K103-V105 PolarHBondContact O-N 3.42Å; V105-L108 PolarHBondContact O-N 3.11Å; V105-A109 WeakPolarHBondContact O-CB 3.23Å; V105-A109 PolarHBondContact O-N 3.08Å; V105-L203 HydrophobicContact CG1-CB 4.18Å; V105-L203 HydrophobicContact CG1-CD2 3.86Å; V105-F206 HydrophobicContact CG2-CB 3.81Å; V105-L207 HydrophobicContact CB-CD2 4.02Å; V105-L207 HydrophobicContact CB-CG 4.34Å; V105-L207 HydrophobicContact CG1-CD1 4.37Å; V105-L207 HydrophobicContact CG1-CD2 4.26Å; V105-L207 HydrophobicContact CG1-CG 4.06Å; V105-L207 HydrophobicContact CG2-CD2 3.72Å; V105-L207 HydrophobicContact CG2-CG 4.02Å
106L98.7Very high98.3Very high5 Ų528.5 Ų28.53%0.02614%0.143CC..Hα-helixtrans-71.7-39.8177.7-64175.1000112.6L102 K103 T104 L108 A109 D110 M248 F273 L276 F277 F282L102-L106 HydrophobicContact CD1-CD1 3.96Å; L102-L106 HydrophobicContact CD1-CD2 4.28Å; L102-L106 HydrophobicContact CD1-CG 3.94Å; L102-L106 HydrophobicContact CD2-CD1 4.42Å; L102-L106 HydrophobicContact CG-CD1 3.78Å; L102-L106 HydrophobicContact CG-CG 4.2Å; L102-L106 VanDerWaalsContact O-CG 3.32Å; L102-L106 WeakPolarHBondContact O-CG 3.31Å; L102-L106 PolarHBondContact O-N 3.43Å; K103-L106 PolarHBondContact O-N 2.82Å; T104-L106 PolarHBondContact O-N 3.38Å; L106-L108 VanDerWaalsContact C-N 3.27Å; L106-L108 PolarHBondContact O-N 3.02Å; L106-A109 PolarHBondContact O-N 3.49Å; L106-D110 PolarHBondContact O-N 3.31Å; L106-M248 HydrophobicContact CD2-CE 3.93Å; L106-F273 HydrophobicContact CD2-CB 3.79Å; L106-F273 HydrophobicContact CD2-CD1 3.62Å; L106-F273 HydrophobicContact CD2-CG 3.95Å; L106-L276 HydrophobicContact CD1-CD2 3.98Å; L106-L276 HydrophobicContact CD1-CG 3.94Å; L106-L276 HydrophobicContact CD2-CD2 3.87Å; L106-F277 HydrophobicContact CB-CD2 3.74Å; L106-F277 HydrophobicContact CB-CE2 4.5Å; L106-F277 HydrophobicContact CD1-CB 4.09Å; L106-F277 HydrophobicContact CD1-CD2 4.06Å; L106-F282 HydrophobicContact CD1-CD2 4.41Å; L106-F282 HydrophobicContact CD1-CE2 4.26Å
107L98.6Very high98.4Very high0 Ų029.6 Ų29.60%015%0.147CC..Hα-helixtrans-59.9-38.4170.7-71.1176.4000111.8K103 T104 F277 Y284 F288K103-L107 HydrophobicContact CG-CD1 4.31Å; K103-L107 WeakPolarHBondContact O-CG 3.25Å; K103-L107 PolarHBondContact O-N 2.92Å; T104-L107 PolarHBondContact O-N 3.19Å; L107-F277 HydrophobicContact CD2-CE2 3.8Å; L107-F277 HydrophobicContact CD2-CZ 3.77Å; L107-F277 HydrophobicContact CG-CE2 3.88Å; L107-F277 HydrophobicContact CG-CZ 4.26Å; L107-Y284 HydrophobicContact CD2-CD2 3.53Å; L107-Y284 HydrophobicContact CD2-CE2 3.45Å; L107-Y284 VanDerWaalsContact CD2-CE2 3.45Å; L107-Y284 HydrophobicContact CD2-CG 4.18Å; L107-F288 HydrophobicContact CB-CD1 4.04Å; L107-F288 HydrophobicContact CB-CE1 3.51Å; L107-F288 HydrophobicContact CB-CZ 4.23Å; L107-F288 HydrophobicContact CD1-CD1 4.04Å; L107-F288 HydrophobicContact CD1-CE1 4.07Å; L107-F288 HydrophobicContact CD1-CG 4.48Å; L107-F288 HydrophobicContact CG-CE1 4.44Å
108L98.8Very high98.5Very high0 Ų029.1 Ų29.10%013%0.125CC..Hα-helixtrans-70.8-40.8174.7-73.7173.6000112.2L89 F100 T104 V105 L106 D110 Q111 T112 V145 F206 F288 W290L89-L108 HydrophobicContact CD1-CD1 4.23Å; L89-L108 HydrophobicContact CD1-CD2 3.9Å; L89-L108 HydrophobicContact CD2-CD1 4.23Å; L89-L108 HydrophobicContact CD2-CD2 3.7Å; L89-L108 HydrophobicContact CG-CD2 4.49Å; F100-L108 HydrophobicContact CD2-CD1 4.02Å; F100-L108 HydrophobicContact CE2-CD1 3.86Å; T104-L108 HydrophobicContact CG2-CD1 4.15Å; T104-L108 WeakPolarHBondContact O-CB 3.08Å; T104-L108 VanDerWaalsContact O-CG 3.29Å; T104-L108 WeakPolarHBondContact O-CG 3.12Å; T104-L108 PolarHBondContact O-N 2.87Å; V105-L108 PolarHBondContact O-N 3.11Å; L106-L108 VanDerWaalsContact C-N 3.27Å; L106-L108 PolarHBondContact O-N 3.02Å; L108-D110 PolarHBondContact O-N 3.11Å; L108-Q111 PolarHBondContact O-N 3.2Å; L108-T112 WeakPolarHBondContact O-CB 3.47Å; L108-T112 VanDerWaalsContact O-CG2 3.26Å; L108-T112 WeakPolarHBondContact O-CG2 3.18Å; L108-T112 PolarHBondContact O-N 2.96Å; L108-T112 PolarHBondContact O-OG1 3.08Å; L108-V145 HydrophobicContact CD2-CG2 3.62Å; L108-F206 HydrophobicContact CD1-CE2 4.41Å; L108-F288 HydrophobicContact CD2-CE1 4.04Å; L108-F288 HydrophobicContact CG-CD1 4.37Å; L108-F288 HydrophobicContact CG-CE1 4.11Å; L108-W290 HydrophobicContact CD1-CH2 4.15Å; L108-W290 HydrophobicContact CD1-CZ3 4.37Å; L108-W290 HydrophobicContact CD2-CH2 4.15Å; L108-W290 HydrophobicContact CG-CH2 4.39Å
109A98.8Very high98.5Very high0 Ų025.5 Ų25.50%011%0.112CC..Hα-helixtrans-58.3-45.9179.600000111.9V105 L106 Q111 T112 I113 L203 F273V105-A109 WeakPolarHBondContact O-CB 3.23Å; V105-A109 PolarHBondContact O-N 3.08Å; L106-A109 PolarHBondContact O-N 3.49Å; A109-Q111 PolarHBondContact O-N 2.82Å; A109-T112 WeakPolarHBondContact CA-OG1 3.48Å; A109-T112 PolarHBondContact O-N 3.4Å; A109-T112 PolarHBondContact O-OG1 2.66Å; A109-I113 WeakPolarHBondContact O-CB 3.39Å; A109-I113 WeakPolarHBondContact O-CD1 3.46Å; A109-I113 VanDerWaalsContact O-CG1 3.23Å; A109-I113 WeakPolarHBondContact O-CG1 3.48Å; A109-I113 PolarHBondContact O-N 3.39Å; A109-L203 HydrophobicContact CB-CD1 3.82Å; A109-L203 HydrophobicContact CB-CD2 3.86Å; A109-F273 HydrophobicContact CB-CD2 3.63Å; A109-F273 HydrophobicContact CB-CE2 4.02Å; A109-F273 HydrophobicContact CB-CG 4.16Å
110D98.7Very high98.6Very high7 Ų717.8 Ų17.84%0.0378%0.082CC..Hα-helixtrans-58.9-46.9179.2-16764.8000112.7L106 L108 T114 R270 R274L106-D110 PolarHBondContact O-N 3.31Å; L108-D110 PolarHBondContact O-N 3.11Å; D110-T114 WeakPolarHBondContact O-CB 3.18Å; D110-T114 PolarHBondContact O-N 2.85Å; D110-T114 PolarHBondContact O-OG1 2.8Å; D110-R270 WeakPolarHBondContact OD1-CD 3.49Å; D110-R270 WeakPolarHBondContact OD1-CG 3.49Å; D110-R274 VanDerWaalsContact CG-NH2 3.26Å; D110-R274 IonicContact OD1-CZ 3.71Å; D110-R274 IonicContact OD1-NE 2.68Å; D110-R274 PolarHBondContact OD1-NE 3.15Å; D110-R274 IonicContact OD1-NH2 3.17Å; D110-R274 PolarHBondContact OD1-NH2 3.13Å; D110-R274 IonicContact OD2-CZ 3.63Å; D110-R274 IonicContact OD2-NE 3.94Å; D110-R274 IonicContact OD2-NH2 3.81Å; D110-R274 PolarHBondContact OD2-NH2 3.31Å
111Q98.6Very high98.6Very high10 Ų1020.8 Ų20.85%0.04710%0.099CC..Hα-helixtrans-71.4-44.1-179.8-65.4-161.356.200112.4L108 A109 T114 R115 N143 V145L108-Q111 PolarHBondContact O-N 3.2Å; A109-Q111 PolarHBondContact O-N 2.82Å; Q111-T114 WeakPolarHBondContact O-CB 3.49Å; Q111-T114 PolarHBondContact O-N 2.77Å; Q111-T114 VanDerWaalsContact O-N 3.17Å; Q111-R115 WeakPolarHBondContact O-CG 3.43Å; Q111-R115 PolarHBondContact O-N 3.15Å; Q111-R115 PolarHBondContact O-NH1 2.87Å; Q111-N143 PolarHBondContact NE2-O 3.39Å; Q111-V145 HydrophobicContact CB-CB 4.02Å; Q111-V145 HydrophobicContact CB-CG2 3.86Å; Q111-V145 HydrophobicContact CG-CG2 4.41Å
112T98.8Very high98.6Very high3 Ų318.2 Ų18.22%0.0189%0.087CC..Hα-helixtrans-67.2-43-176.250.70000112.5L108 A109 T114 R115 V116 F134 V145 L199L108-T112 WeakPolarHBondContact O-CB 3.47Å; L108-T112 VanDerWaalsContact O-CG2 3.26Å; L108-T112 WeakPolarHBondContact O-CG2 3.18Å; L108-T112 PolarHBondContact O-N 2.96Å; L108-T112 PolarHBondContact O-OG1 3.08Å; A109-T112 WeakPolarHBondContact CA-OG1 3.48Å; A109-T112 PolarHBondContact O-N 3.4Å; A109-T112 PolarHBondContact O-OG1 2.66Å; T112-T114 PolarHBondContact O-N 2.88Å; T112-R115 PolarHBondContact O-N 3.48Å; T112-R115 VanDerWaalsContact O-N 3.09Å; T112-V116 PolarHBondContact O-N 3.42Å; T112-V116 VanDerWaalsContact O-N 3.1Å; T112-F134 HydrophobicContact CG2-CD1 3.84Å; T112-F134 HydrophobicContact CG2-CD2 4.4Å; T112-F134 HydrophobicContact CG2-CE1 3.68Å; T112-F134 HydrophobicContact CG2-CE2 4.27Å; T112-F134 HydrophobicContact CG2-CG 4.19Å; T112-F134 HydrophobicContact CG2-CZ 3.91Å; T112-V145 HydrophobicContact CG2-CG1 4.15Å; T112-L199 HydrophobicContact CG2-CD1 4.48Å
113I98.8Very high98.5Very high0 Ų017.7 Ų17.70%09%0.085CC..Hα-helixtrans-55-43.2170.9-67.6166.9000109.9A109 R115 V116 E117 M196 L199 Y251 L269 R270 F273A109-I113 WeakPolarHBondContact O-CB 3.39Å; A109-I113 WeakPolarHBondContact O-CD1 3.46Å; A109-I113 VanDerWaalsContact O-CG1 3.23Å; A109-I113 WeakPolarHBondContact O-CG1 3.48Å; A109-I113 PolarHBondContact O-N 3.39Å; I113-R115 VanDerWaalsContact C-N 3.34Å; I113-R115 PolarHBondContact O-N 2.92Å; I113-V116 PolarHBondContact O-N 2.62Å; I113-E117 WeakPolarHBondContact O-CB 3.27Å; I113-E117 PolarHBondContact O-N 2.85Å; I113-M196 HydrophobicContact CG1-CE 4.38Å; I113-M196 HydrophobicContact CG2-CE 4.11Å; I113-L199 HydrophobicContact CG1-CD2 3.74Å; I113-Y251 HydrophobicContact CD1-CE2 3.94Å; I113-Y251 HydrophobicContact CG1-CE2 4.34Å; I113-L269 HydrophobicContact CD1-CB 4.27Å; I113-R270 HydrophobicContact CB-CG 4.23Å; I113-R270 HydrophobicContact CD1-CG 4.3Å; I113-R270 HydrophobicContact CG2-CG 3.97Å; I113-F273 HydrophobicContact CD1-CD2 3.98Å; I113-F273 HydrophobicContact CD1-CE2 4.09Å
114T98.6Very high98.5Very high40 Ų4017.1 Ų17.125%0.2458%0.083CC..Hα-helixtrans-66.7-29.4179.8-53.10000113.3D110 Q111 T112 Y118 R270D110-T114 WeakPolarHBondContact O-CB 3.18Å; D110-T114 PolarHBondContact O-N 2.85Å; D110-T114 PolarHBondContact O-OG1 2.8Å; Q111-T114 WeakPolarHBondContact O-CB 3.49Å; Q111-T114 PolarHBondContact O-N 2.77Å; Q111-T114 VanDerWaalsContact O-N 3.17Å; T112-T114 PolarHBondContact O-N 2.88Å; T114-Y118 PolarHBondContact O-N 3.42Å; T114-R270 PolarHBondContact OG1-NH1 3.34Å
115R98.7Very high98.5Very high8 Ų817.1 Ų17.13%0.038%0.083CC..Hα-helixtrans-72.2-42.5171.8-55.9-51.9171.3-98.7-8.3112.2V63 Q111 T112 I113 Y118 I119 F134 L144 V145 L147V63-R115 WeakPolarHBondContact O-CD 3.39Å; V63-R115 PolarHBondContact O-NE 3.28Å; Q111-R115 WeakPolarHBondContact O-CG 3.43Å; Q111-R115 PolarHBondContact O-N 3.15Å; Q111-R115 PolarHBondContact O-NH1 2.87Å; T112-R115 PolarHBondContact O-N 3.48Å; T112-R115 VanDerWaalsContact O-N 3.09Å; I113-R115 VanDerWaalsContact C-N 3.34Å; I113-R115 PolarHBondContact O-N 2.92Å; R115-Y118 PolarHBondContact O-N 2.9Å; R115-I119 WeakPolarHBondContact O-CG1 3.18Å; R115-I119 PolarHBondContact O-N 3.35Å; R115-F134 HydrophobicContact CB-CE1 4.42Å; R115-L144 VanDerWaalsContact NH2-CD1 3.29Å; R115-V145 VanDerWaalsContact CZ-O 3.22Å; R115-V145 PolarHBondContact NE-O 3.01Å; R115-V145 PolarHBondContact NH2-O 3.01Å; R115-L147 HydrophobicContact CB-CB 3.96Å; R115-L147 HydrophobicContact CB-CD2 3.75Å; R115-L147 HydrophobicContact CG-CB 4.22Å
116V98.8Very high98.5Very high2 Ų217.2 Ų17.21%0.0128%0.083CC..Hα-helixtrans-64.1-45.4178178.20000110.4T112 I113 Y118 I119 Q120 I129 D195 M196 L199T112-V116 PolarHBondContact O-N 3.42Å; T112-V116 VanDerWaalsContact O-N 3.1Å; I113-V116 PolarHBondContact O-N 2.62Å; V116-Y118 PolarHBondContact O-N 2.97Å; V116-I119 PolarHBondContact O-N 3.04Å; V116-Q120 HydrophobicContact CG1-CG 4.36Å; V116-Q120 WeakPolarHBondContact O-CB 3.39Å; V116-Q120 VanDerWaalsContact O-CG 3.31Å; V116-Q120 WeakPolarHBondContact O-CG 3.37Å; V116-Q120 PolarHBondContact O-N 3.25Å; V116-I129 HydrophobicContact CG2-CD1 3.89Å; V116-D195 HydrophobicContact CG1-CB 3.79Å; V116-M196 HydrophobicContact CB-SD 4.16Å; V116-M196 HydrophobicContact CG1-SD 3.61Å; V116-L199 HydrophobicContact CG2-CD2 4.43Å
117E98.7Very high98.5Very high41 Ų4119.2 Ų19.219%0.1929%0.09CC..Hα-helixtrans-55.4-45.6172.9176.7175.6-146.600112.4I113 I119 Q120 N121 Y266 R270I113-E117 WeakPolarHBondContact O-CB 3.27Å; I113-E117 PolarHBondContact O-N 2.85Å; E117-I119 PolarHBondContact O-N 3.03Å; E117-Q120 PolarHBondContact O-N 3.21Å; E117-N121 WeakPolarHBondContact CG-ND2 3.37Å; E117-N121 WeakPolarHBondContact O-CB 3.46Å; E117-N121 PolarHBondContact O-N 2.96Å; E117-N121 PolarHBondContact O-ND2 3.46Å; E117-Y266 HydrophobicContact CB-CD1 3.74Å; E117-Y266 HydrophobicContact CB-CD2 4.13Å; E117-Y266 HydrophobicContact CB-CE1 3.99Å; E117-Y266 HydrophobicContact CB-CE2 4.37Å; E117-Y266 HydrophobicContact CB-CG 3.81Å; E117-Y266 HydrophobicContact CG-CD1 4.16Å; E117-Y266 HydrophobicContact CG-CD2 3.59Å; E117-Y266 HydrophobicContact CG-CE1 4.4Å; E117-Y266 HydrophobicContact CG-CE2 3.87Å; E117-Y266 HydrophobicContact CG-CG 3.75Å; E117-Y266 VanDerWaalsContact OE1-CD2 3.26Å; E117-Y266 WeakPolarHBondContact OE1-CD2 3.28Å; E117-R270 IonicContact OE1-NH2 3.3Å; E117-R270 IonicContact OE2-CZ 2.74Å; E117-R270 IonicContact OE2-NH1 2.66Å; E117-R270 PolarHBondContact OE2-NH1 3.02Å; E117-R270 IonicContact OE2-NH2 2.64Å; E117-R270 PolarHBondContact OE2-NH2 2.58Å
118Y98.6Very high98.4Very high55 Ų5519.5 Ų19.522%0.2169%0.092CC..Hα-helixtrans-58.6-47.5-180-179.2-91.3000112.4M59 Q60 G62 I65 T114 R115 V116 Q120 N121 K122M59-Y118 HydrophobicContact CB-CE1 4.31Å; M59-Y118 PolarHBondContact O-OH 3.23Å; M59-Y118 HydrophobicContact SD-CD1 4.28Å; M59-Y118 HydrophobicContact SD-CE1 3.97Å; Q60-Y118 PolarHBondContact O-OH 3.26Å; G62-Y118 VanDerWaalsContact CA-OH 3.25Å; G62-Y118 WeakPolarHBondContact CA-OH 3.22Å; G62-Y118 PolarHBondContact N-OH 2.89Å; G62-Y118 VanDerWaalsContact N-OH 3.16Å; I65-Y118 HydrophobicContact CD1-CD1 4.07Å; I65-Y118 HydrophobicContact CD1-CE1 4.3Å; I65-Y118 HydrophobicContact CG1-CD1 4.02Å; I65-Y118 HydrophobicContact CG1-CE1 3.85Å; T114-Y118 PolarHBondContact O-N 3.42Å; R115-Y118 PolarHBondContact O-N 2.9Å; V116-Y118 PolarHBondContact O-N 2.97Å; Y118-Q120 VanDerWaalsContact C-N 3.33Å; Y118-Q120 PolarHBondContact O-N 3.22Å; Y118-N121 PolarHBondContact O-N 3.43Å; Y118-K122 HydrophobicContact CD1-CG 4.39Å; Y118-K122 HydrophobicContact CE1-CG 3.95Å; Y118-K122 WeakPolarHBondContact O-CG 3.32Å; Y118-K122 PolarHBondContact O-N 3.33Å; Y118-K122 WeakPolarHBondContact OH-CE 3.4Å; Y118-K122 PolarHBondContact OH-NZ 2.65Å
119I98.2Very high98.4Very high1 Ų119.6 Ų19.61%0.0059%0.092CC..Hα-helixtrans-64.5-40.5179.1-65.1161.8000110.4M59 R115 V116 E117 K122 N123 F124 L147 F150M59-I119 HydrophobicContact CE-CB 4.35Å; M59-I119 HydrophobicContact CE-CG1 4.46Å; M59-I119 HydrophobicContact CE-CG2 3.88Å; M59-I119 HydrophobicContact SD-CG1 4.28Å; R115-I119 WeakPolarHBondContact O-CG1 3.18Å; R115-I119 PolarHBondContact O-N 3.35Å; V116-I119 PolarHBondContact O-N 3.04Å; E117-I119 PolarHBondContact O-N 3.03Å; I119-K122 CarbonylContact O-C 3.21Å; I119-K122 WeakPolarHBondContact O-CA 3.25Å; I119-K122 WeakPolarHBondContact O-CB 3.17Å; I119-K122 PolarHBondContact O-N 3.27Å; I119-N123 PolarHBondContact O-N 3.07Å; I119-F124 CarbonylContact C-O 3.48Å; I119-F124 HydrophobicContact CG2-CB 3.8Å; I119-F124 PolarHBondContact O-N 3.49Å; I119-L147 HydrophobicContact CD1-CD2 3.37Å; I119-L147 HydrophobicContact CD1-CG 3.98Å; I119-F150 HydrophobicContact CD1-CE1 3.63Å; I119-F150 HydrophobicContact CD1-CZ 4.17Å; I119-F150 HydrophobicContact CG1-CE1 4.23Å
120Q98.4Very high98.4Very high0 Ų020.9 Ų20.90%010%0.098CC..Hα-helixtrans-71-31.6178.4-68.1-179.34.500112.6V116 E117 Y118 N123 F124 I125 Y156 R157 R192 D195 Y266V116-Q120 HydrophobicContact CG1-CG 4.36Å; V116-Q120 WeakPolarHBondContact O-CB 3.39Å; V116-Q120 VanDerWaalsContact O-CG 3.31Å; V116-Q120 WeakPolarHBondContact O-CG 3.37Å; V116-Q120 PolarHBondContact O-N 3.25Å; E117-Q120 PolarHBondContact O-N 3.21Å; Y118-Q120 VanDerWaalsContact C-N 3.33Å; Y118-Q120 PolarHBondContact O-N 3.22Å; Q120-N123 PolarHBondContact O-N 2.99Å; Q120-N123 VanDerWaalsContact O-N 3.11Å; Q120-F124 VanDerWaalsContact CA-O 3.23Å; Q120-F124 WeakPolarHBondContact CA-O 3.34Å; Q120-F124 WeakPolarHBondContact CG-O 3.23Å; Q120-F124 PolarHBondContact N-O 2.64Å; Q120-I125 HydrophobicContact CG-CG2 4.32Å; Q120-Y156 HydrophobicContact CB-CE1 4.24Å; Q120-Y156 HydrophobicContact CG-CE1 4.46Å; Q120-Y156 WeakPolarHBondContact O-CE1 3.21Å; Q120-Y156 PolarHBondContact O-OH 3.41Å; Q120-R157 PolarHBondContact O-NH2 2.99Å; Q120-R192 HydrophobicContact CB-CG 4.41Å; Q120-R192 HydrophobicContact CG-CG 4.14Å; Q120-R192 PolarHBondContact NE2-O 2.91Å; Q120-R192 VanDerWaalsContact NE2-O 3.16Å; Q120-D195 PolarHBondContact NE2-OD2 3.23Å; Q120-Y266 WeakPolarHBondContact CB-OH 3.34Å; Q120-Y266 PolarHBondContact OE1-OH 3.13Å
121N97.4Very high98.4Very high67 Ų6720.5 Ų20.536%0.35810%0.096SC..Hα-helixtrans-69.5-33.5170.2-78.5-27.3000112.4E117 Y118 N123E117-N121 WeakPolarHBondContact CG-ND2 3.37Å; E117-N121 WeakPolarHBondContact O-CB 3.46Å; E117-N121 PolarHBondContact O-N 2.96Å; E117-N121 PolarHBondContact O-ND2 3.46Å; Y118-N121 PolarHBondContact O-N 3.43Å; N121-N123 PolarHBondContact O-N 3.16Å
122K97.8Very high98.3Very high74 Ų7423.2 Ų23.232%0.32211%0.11SC..THydrogen-bonded Turntrans-73.95.4168.2-68.6-83.3-173.6145.60114.4L58 M59 Y118 I119 F124L58-K122 PolarHBondContact O-NZ 2.83Å; M59-K122 HydrophobicContact CE-CB 3.66Å; M59-K122 HydrophobicContact CE-CG 4.47Å; M59-K122 HydrophobicContact SD-CB 3.52Å; M59-K122 VanDerWaalsContact SD-CB 3.52Å; M59-K122 HydrophobicContact SD-CD 4.45Å; M59-K122 HydrophobicContact SD-CG 3.67Å; Y118-K122 HydrophobicContact CD1-CG 4.39Å; Y118-K122 HydrophobicContact CE1-CG 3.95Å; Y118-K122 WeakPolarHBondContact O-CG 3.32Å; Y118-K122 PolarHBondContact O-N 3.33Å; Y118-K122 WeakPolarHBondContact OH-CE 3.4Å; Y118-K122 PolarHBondContact OH-NZ 2.65Å; I119-K122 CarbonylContact O-C 3.21Å; I119-K122 WeakPolarHBondContact O-CA 3.25Å; I119-K122 WeakPolarHBondContact O-CB 3.17Å; I119-K122 PolarHBondContact O-N 3.27Å; K122-F124 WeakPolarHBondContact O-CD2 3.48Å
123N98.1Very high98.3Very high18 Ų1823.3 Ų23.310%0.09611%0.111CC..THydrogen-bonded Turntrans7717.3174.3-41-73.7000116.2I119 Q120 N121 K155 Y156 R157 R162I119-N123 PolarHBondContact O-N 3.07Å; Q120-N123 PolarHBondContact O-N 2.99Å; Q120-N123 VanDerWaalsContact O-N 3.11Å; N121-N123 PolarHBondContact O-N 3.16Å; N123-K155 WeakPolarHBondContact O-CA 3.49Å; N123-Y156 VanDerWaalsContact C-CD1 3.41Å; N123-Y156 WeakPolarHBondContact O-CD1 3.27Å; N123-Y156 PolarHBondContact O-N 2.59Å; N123-R157 HydrophobicContact CB-CG 3.81Å; N123-R157 WeakPolarHBondContact OD1-CG 3.47Å; N123-R157 PolarHBondContact OD1-NE 3.45Å; N123-R162 PolarHBondContact OD1-NH1 2.88Å
124F98.5Very high98.3Very high28 Ų2823.3 Ų23.312%0.12311%0.111CC..EExtended strand (participates in β ladder)trans-111.9155.9174.7-70.8-101.1000112.2I55 L58 M59 I119 Q120 K122 K154 K155 Y156I55-F124 HydrophobicContact CD1-CD1 3.94Å; I55-F124 HydrophobicContact CD1-CE1 3.67Å; I55-F124 HydrophobicContact CG1-CD1 4.31Å; I55-F124 HydrophobicContact CG1-CE1 3.76Å; I55-F124 HydrophobicContact CG1-CZ 4.12Å; L58-F124 HydrophobicContact CD1-CE2 4.06Å; L58-F124 HydrophobicContact CD1-CZ 4.09Å; M59-F124 HydrophobicContact CE-CB 3.87Å; M59-F124 HydrophobicContact CE-CD2 3.6Å; M59-F124 HydrophobicContact CE-CE2 4.41Å; M59-F124 HydrophobicContact CE-CG 3.92Å; I119-F124 CarbonylContact C-O 3.48Å; I119-F124 HydrophobicContact CG2-CB 3.8Å; I119-F124 PolarHBondContact O-N 3.49Å; Q120-F124 VanDerWaalsContact CA-O 3.23Å; Q120-F124 WeakPolarHBondContact CA-O 3.34Å; Q120-F124 WeakPolarHBondContact CG-O 3.23Å; Q120-F124 PolarHBondContact N-O 2.64Å; K122-F124 WeakPolarHBondContact O-CD2 3.48Å; F124-K154 CarbonylContact C-O 3.59Å; F124-K154 VanDerWaalsContact CA-O 3.26Å; F124-K154 WeakPolarHBondContact CA-O 3.27Å; F124-K154 VanDerWaalsContact CD1-C 3.49Å; F124-K155 HydrophobicContact CD1-CB 4.42Å; F124-K155 HydrophobicContact CE1-CB 4.16Å; F124-K155 HydrophobicContact CZ-CB 4.42Å; F124-Y156 VanDerWaalsContact C-CD1 3.46Å; F124-Y156 WeakPolarHBondContact O-CE1 3.4Å
125I98.6Very high98.3Very high1 Ų122.7 Ų22.71%0.00511%0.106CC..EExtended strand (participates in β ladder)trans-112.5148.8162.650.3174.5000108.6Q120 R127 A153 K154 Y156 Q190 R192 D195Q120-I125 HydrophobicContact CG-CG2 4.32Å; I125-R127 HydrophobicContact CB-CG 4.32Å; I125-R127 HydrophobicContact CD1-CG 3.81Å; I125-R127 HydrophobicContact CG1-CG 3.76Å; I125-A153 CarbonylContact O-C 3.4Å; I125-A153 VanDerWaalsContact O-CA 3.23Å; I125-A153 WeakPolarHBondContact O-CA 3.48Å; I125-A153 WeakPolarHBondContact O-CB 3.36Å; I125-K154 HydrophobicContact CG1-CB 4.24Å; I125-K154 WeakPolarHBondContact CG1-O 3.23Å; I125-K154 PolarHBondContact N-O 2.99Å; I125-K154 PolarHBondContact O-N 3.11Å; I125-Y156 HydrophobicContact CG2-CD1 3.74Å; I125-Y156 HydrophobicContact CG2-CE1 4.39Å; I125-Y156 HydrophobicContact CG2-CG 3.99Å; I125-Q190 HydrophobicContact CD1-CB 3.99Å; I125-Q190 WeakPolarHBondContact CD1-O 3.33Å; I125-R192 HydrophobicContact CG2-CG 4.29Å; I125-D195 WeakPolarHBondContact CA-OD2 3.26Å; I125-D195 WeakPolarHBondContact CB-OD2 3.47Å
126H98.4Very high98.3Very high2 Ų222.6 Ų22.61%0.00911%0.106CC..  trans-81.2-46-172.7-168.2-58.4000112D128 I129 N133 L147 I148 D149 F150 L152 A153 D195H126-D128 PolarHBondContact ND1-N 3.34Å; H126-D128 PolarHBondContact O-N 2.79Å; H126-I129 HydrophobicContact CB-CD1 3.65Å; H126-I129 HydrophobicContact CB-CG1 4.23Å; H126-N133 PolarHBondContact CE1-ND2 3.48Å; H126-L147 WeakPolarHBondContact NE2-CD1 3.46Å; H126-I148 PolarHBondContact CE1-O 2.99Å; H126-I148 PolarHBondContact NE2-O 3.25Å; H126-D149 PolarHBondContact CE1-O 3.03Å; H126-D149 PolarHBondContact NE2-O 3.21Å; H126-F150 AromaticContact CD2-CE1 3.93Å; H126-F150 AromaticContact NE2-CD1 3.92Å; H126-F150 AromaticContact NE2-CE1 3.87Å; H126-L152 CarbonylContact O-C 3.51Å; H126-A153 WeakPolarHBondContact O-CA 3.37Å; H126-A153 PolarHBondContact O-N 3.25Å; H126-D195 PolarHBondContact N-OD1 3.32Å; H126-D195 PolarHBondContact N-OD2 3.45Å
127R98.3Very high98.2Very high46 Ų4622.8 Ų22.817%0.17411%0.108CC..SBendtrans703.4177.2-49.7-160.2-64.1150.94.8116.4I125 L152 Q190 D195I125-R127 HydrophobicContact CB-CG 4.32Å; I125-R127 HydrophobicContact CD1-CG 3.81Å; I125-R127 HydrophobicContact CG1-CG 3.76Å; R127-L152 PolarHBondContact NE-O 2.97Å; R127-L152 PolarHBondContact NH2-O 3.42Å; R127-Q190 VanDerWaalsContact CA-OE1 3.28Å; R127-Q190 VanDerWaalsContact CD-OE1 3.25Å; R127-D195 PolarHBondContact N-OD1 3.1Å
128D97.7Very high98.1Very high7 Ų724.9 Ų24.94%0.03712%0.12CC..  trans-147.454.5171.4-164.536.3000111.9H126 K130 N133 L152 G175 T176H126-D128 PolarHBondContact ND1-N 3.34Å; H126-D128 PolarHBondContact O-N 2.79Å; D128-K130 PolarHBondContact O-N 2.96Å; D128-K130 IonicContact OD2-NZ 2.71Å; D128-K130 PolarHBondContact OD2-NZ 3.5Å; D128-N133 PolarHBondContact O-ND2 3.47Å; D128-N133 PolarHBondContact OD2-ND2 3.16Å; D128-L152 HydrophobicContact CB-CB 4.5Å; D128-L152 HydrophobicContact CB-CD1 3.85Å; D128-G175 WeakPolarHBondContact OD1-CA 3.28Å; D128-T176 VanDerWaalsContact OD1-CB 3.24Å; D128-T176 WeakPolarHBondContact OD1-CB 3.46Å; D128-T176 PolarHBondContact OD1-N 3.25Å; D128-T176 PolarHBondContact OD1-OG1 3.39Å
129I98.7Very high97.9Very high2 Ų225.8 Ų25.81%0.0115%0.146CC..  trans-67.6111.7173.9-62.5-59.8000109.4V116 H126 F134 L147 Y179 D195 L199 V202V116-I129 HydrophobicContact CG2-CD1 3.89Å; H126-I129 HydrophobicContact CB-CD1 3.65Å; H126-I129 HydrophobicContact CB-CG1 4.23Å; I129-F134 HydrophobicContact CD1-CZ 4.38Å; I129-F134 HydrophobicContact CG2-CE2 4.05Å; I129-F134 HydrophobicContact CG2-CZ 4.42Å; I129-L147 HydrophobicContact CD1-CD2 4.38Å; I129-Y179 WeakPolarHBondContact O-CB 3.42Å; I129-D195 HydrophobicContact CG1-CB 3.92Å; I129-L199 HydrophobicContact CG2-CB 3.99Å; I129-L199 HydrophobicContact CG2-CD1 4.35Å; I129-V202 HydrophobicContact CG2-CG2 4.49Å
130K98.3Very high97.7Very high26 Ų2636.1 Ų36.111%0.11319%0.191CC..  trans-153.6156.8-177.268-176.3-162.4-1020111D128 D132 N133 F134 T176 Y179D128-K130 PolarHBondContact O-N 2.96Å; D128-K130 IonicContact OD2-NZ 2.71Å; D128-K130 PolarHBondContact OD2-NZ 3.5Å; K130-D132 HydrophobicContact CD-CB 4.31Å; K130-D132 WeakPolarHBondContact CD-OD2 3.28Å; K130-D132 HydrophobicContact CG-CB 4.25Å; K130-D132 VanDerWaalsContact CG-OD2 3.31Å; K130-D132 WeakPolarHBondContact CG-OD2 3.49Å; K130-D132 PolarHBondContact O-N 3.46Å; K130-N133 VanDerWaalsContact CE-OD1 3.27Å; K130-N133 WeakPolarHBondContact CE-OD1 3.18Å; K130-N133 HydrophobicContact CG-CB 3.91Å; K130-N133 VanDerWaalsContact NZ-CG 3.3Å; K130-N133 PolarHBondContact NZ-ND2 3.42Å; K130-N133 VanDerWaalsContact NZ-ND2 3.14Å; K130-N133 PolarHBondContact NZ-OD1 3.4Å; K130-N133 PolarHBondContact O-N 3.08Å; K130-N133 VanDerWaalsContact O-N 3.1Å; K130-F134 WeakPolarHBondContact O-CD2 3.36Å; K130-T176 WeakPolarHBondContact CD-OG1 3.35Å; K130-Y179 HydrophobicContact CB-CD2 3.45Å; K130-Y179 VanDerWaalsContact CB-CD2 3.45Å; K130-Y179 HydrophobicContact CB-CE2 3.61Å; K130-Y179 HydrophobicContact CB-CG 4.44Å
131P98.5Very high97.5Very high0 Ų042.2 Ų42.20%021%0.214CC..G310 helixtrans-56.9-35.5-179.3-25.336.3000113.7L89 E90 N133 F134 Y179 V202 Y205 F206L89-P131 HydrophobicContact CB-CB 4.23Å; L89-P131 PolarHBondContact N-O 3.3Å; E90-P131 HydrophobicContact CB-CB 4.04Å; P131-N133 PolarHBondContact O-N 3.15Å; P131-F134 PolarHBondContact O-N 3.46Å; P131-F134 VanDerWaalsContact O-O 3.08Å; P131-Y179 WeakPolarHBondContact CD-OH 3.31Å; P131-Y179 HydrophobicContact CG-CE1 4.4Å; P131-Y179 HydrophobicContact CG-CE2 4.4Å; P131-Y179 WeakPolarHBondContact CG-OH 3.44Å; P131-V202 HydrophobicContact CG-CG1 4.14Å; P131-V202 HydrophobicContact CG-CG2 4.44Å; P131-Y205 HydrophobicContact CG-CD1 3.93Å; P131-Y205 HydrophobicContact CG-CE1 3.82Å; P131-F206 HydrophobicContact CB-CE1 3.84Å; P131-F206 HydrophobicContact CB-CZ 3.74Å; P131-F206 HydrophobicContact CG-CE1 3.92Å; P131-F206 HydrophobicContact CG-CZ 3.9Å
132D96.9Very high97.5Very high66 Ų6640.4 Ų40.435%0.35321%0.211SC..G310 helixtrans-66.2-25.5-178.7-22.7-126.2000112.3K130 L135K130-D132 HydrophobicContact CD-CB 4.31Å; K130-D132 WeakPolarHBondContact CD-OD2 3.28Å; K130-D132 HydrophobicContact CG-CB 4.25Å; K130-D132 VanDerWaalsContact CG-OD2 3.31Å; K130-D132 WeakPolarHBondContact CG-OD2 3.49Å; K130-D132 PolarHBondContact O-N 3.46Å; D132-L135 WeakPolarHBondContact O-CD1 3.4Å
133N97.8Very high97.4Very high6 Ų639.6 Ų39.63%0.03221%0.21CC..G310 helixtrans-89.3-0.3178.6-76.5-2.9000113H126 D128 K130 P131 L147 I148H126-N133 PolarHBondContact CE1-ND2 3.48Å; D128-N133 PolarHBondContact O-ND2 3.47Å; D128-N133 PolarHBondContact OD2-ND2 3.16Å; K130-N133 VanDerWaalsContact CE-OD1 3.27Å; K130-N133 WeakPolarHBondContact CE-OD1 3.18Å; K130-N133 HydrophobicContact CG-CB 3.91Å; K130-N133 VanDerWaalsContact NZ-CG 3.3Å; K130-N133 PolarHBondContact NZ-ND2 3.42Å; K130-N133 VanDerWaalsContact NZ-ND2 3.14Å; K130-N133 PolarHBondContact NZ-OD1 3.4Å; K130-N133 PolarHBondContact O-N 3.08Å; K130-N133 VanDerWaalsContact O-N 3.1Å; P131-N133 PolarHBondContact O-N 3.15Å; N133-L147 HydrophobicContact CB-CD1 4.26Å; N133-L147 VanDerWaalsContact O-CD1 3.26Å; N133-L147 WeakPolarHBondContact O-CD1 3.43Å; N133-I148 HydrophobicContact CB-CG1 4.46Å; N133-I148 WeakPolarHBondContact O-CG1 3.37Å; N133-I148 PolarHBondContact O-N 3.2Å
134F98.6Very high97.4Very high0 Ų040.5 Ų40.50%022%0.215CC..EExtended strand (participates in β ladder)trans-111.4122.3171.5-68.8-76000110S88 L89 T112 R115 I129 K130 P131 V145 Y146 L147 L199S88-F134 CarbonylContact C-O 3.58Å; S88-F134 VanDerWaalsContact CA-O 3.27Å; S88-F134 WeakPolarHBondContact CA-O 3.33Å; L89-F134 HydrophobicContact CD1-CB 3.52Å; L89-F134 HydrophobicContact CD1-CD2 4.47Å; L89-F134 HydrophobicContact CD1-CG 4.19Å; L89-F134 HydrophobicContact CG-CB 3.74Å; L89-F134 PolarHBondContact N-O 3.16Å; T112-F134 HydrophobicContact CG2-CD1 3.84Å; T112-F134 HydrophobicContact CG2-CD2 4.4Å; T112-F134 HydrophobicContact CG2-CE1 3.68Å; T112-F134 HydrophobicContact CG2-CE2 4.27Å; T112-F134 HydrophobicContact CG2-CG 4.19Å; T112-F134 HydrophobicContact CG2-CZ 3.91Å; R115-F134 HydrophobicContact CB-CE1 4.42Å; I129-F134 HydrophobicContact CD1-CZ 4.38Å; I129-F134 HydrophobicContact CG2-CE2 4.05Å; I129-F134 HydrophobicContact CG2-CZ 4.42Å; K130-F134 WeakPolarHBondContact O-CD2 3.36Å; P131-F134 PolarHBondContact O-N 3.46Å; P131-F134 VanDerWaalsContact O-O 3.08Å; F134-V145 HydrophobicContact CB-CG1 4.13Å; F134-V145 HydrophobicContact CD1-CG1 3.8Å; F134-V145 HydrophobicContact CG-CG1 4.35Å; F134-Y146 VanDerWaalsContact CA-O 3.27Å; F134-Y146 WeakPolarHBondContact CA-O 3.45Å; F134-L147 HydrophobicContact CD1-CB 4.1Å; F134-L147 HydrophobicContact CD1-CD1 3.92Å; F134-L147 HydrophobicContact CD1-CG 4.42Å; F134-L147 HydrophobicContact CE1-CB 4.03Å; F134-L147 HydrophobicContact CE1-CD1 3.71Å; F134-L147 HydrophobicContact CE1-CD2 3.78Å; F134-L147 HydrophobicContact CE1-CG 4.05Å; F134-L147 HydrophobicContact CG-CD1 4.43Å; F134-L147 HydrophobicContact CZ-CD1 4.04Å; F134-L147 HydrophobicContact CZ-CD2 4.18Å; F134-L199 HydrophobicContact CE2-CD1 4.38Å; F134-L199 HydrophobicContact CZ-CD1 4.45Å
135L98.5Very high97.5Very high27 Ų2739.2 Ų39.214%0.14121%0.209CC..EExtended strand (participates in β ladder)trans-120.1150.1-178.9-81.763.2000110.2L85 G86 P87 D132 Y146 I148L85-L135 HydrophobicContact CB-CB 4.14Å; L85-L135 HydrophobicContact CB-CD2 3.86Å; L85-L135 HydrophobicContact CD1-CB 4.05Å; L85-L135 HydrophobicContact CD1-CD2 4.24Å; G86-L135 WeakPolarHBondContact O-CD2 3.47Å; P87-L135 WeakPolarHBondContact O-CA 3.08Å; D132-L135 WeakPolarHBondContact O-CD1 3.4Å; L135-Y146 PolarHBondContact N-O 3.06Å; L135-Y146 VanDerWaalsContact N-O 3.09Å; L135-Y146 WeakPolarHBondContact O-CB 3.25Å; L135-Y146 PolarHBondContact O-N 3.46Å; L135-I148 HydrophobicContact CD1-CD1 3.55Å; L135-I148 HydrophobicContact CD1-CG1 3.95Å; L135-I148 HydrophobicContact CD2-CD1 4.16Å
136M98.6Very high97.5Very high5 Ų539.4 Ų39.43%0.02521%0.21CC..EExtended strand (participates in β ladder)trans-81.2152169.7-62.1-55.1-64.600111G86 P87 L89 L92 G142 N143 V145 F288 W290G86-M136 VanDerWaalsContact CA-O 3.31Å; G86-M136 WeakPolarHBondContact CA-O 3.47Å; G86-M136 PolarHBondContact N-O 3.24Å; P87-M136 PolarHBondContact O-N 3.18Å; L89-M136 HydrophobicContact CD2-CG 4.44Å; L89-M136 HydrophobicContact CD2-SD 4.06Å; L92-M136 HydrophobicContact CD1-CB 4.43Å; L92-M136 HydrophobicContact CD1-CG 3.43Å; L92-M136 VanDerWaalsContact CD1-CG 3.43Å; M136-G142 WeakPolarHBondContact CE-O 3.36Å; M136-N143 VanDerWaalsContact CE-C 3.48Å; M136-V145 HydrophobicContact CE-CG2 4.33Å; M136-V145 HydrophobicContact SD-CG2 3.8Å; M136-F288 HydrophobicContact CE-CE2 4.03Å; M136-F288 HydrophobicContact CE-CZ 4.17Å; M136-W290 HydrophobicContact CE-CZ2 4.1Å; M136-W290 HydrophobicContact CG-CZ2 4.09Å; M136-W290 HydrophobicContact SD-CH2 4.48Å; M136-W290 HydrophobicContact SD-CZ2 3.96Å
137G97.9Very high97.5Very high6 Ų639.3 Ų39.36%0.06221%0.21CC..PPolyproline II helixtrans-68.1173.1171.200000113.6R141 G142 L144G137-R141 VanDerWaalsContact CA-O 3.29Å; G137-R141 WeakPolarHBondContact CA-O 3.3Å; G137-G142 WeakPolarHBondContact O-CA 3.28Å; G137-L144 PolarHBondContact N-O 3.46Å
138L95.3Very high97.4Very high85 Ų8538.5 Ų38.545%0.44521%0.208SC..PPolyproline II helixtrans-102.5153.4175-66.1174.8000111.8L84 K140 R141L84-L138 HydrophobicContact CB-CD1 4.42Å; L84-L138 HydrophobicContact CD2-CD1 4.36Å; L84-L138 HydrophobicContact CG-CD1 4.13Å; L138-K140 PolarHBondContact O-N 2.92Å; L138-R141 PolarHBondContact O-N 3.04Å
139G95Very high97.2Very high74 Ų7438.8 Ų38.876%0.76321%0.21SC*.G310 helixtrans52.1-124.8174.600000113.3R141 G142G139-R141 PolarHBondContact O-N 3.3Å; G139-G142 PolarHBondContact O-N 3.46Å
140K94Very high97.1Very high218 Ų21838.7 Ų38.795%0.94821%0.209SC*.G310 helixtrans-59.3-10.3177.8-66.1-174.5177.7-177.20114.8L138L138-K140 PolarHBondContact O-N 2.92Å
141R95.3Very high96.8Very high129 Ų12937.9 Ų37.949%0.48721%0.208SC..G310 helixtrans-10713.8174.7-57.1-174.3-174.8166.81.7113.1G137 L138 G139 N143 L144 Y146G137-R141 VanDerWaalsContact CA-O 3.29Å; G137-R141 WeakPolarHBondContact CA-O 3.3Å; L138-R141 PolarHBondContact O-N 3.04Å; G139-R141 PolarHBondContact O-N 3.3Å; R141-N143 PolarHBondContact O-N 3.04Å; R141-N143 VanDerWaalsContact O-N 3.1Å; R141-L144 HydrophobicContact CB-CB 4.4Å; R141-L144 WeakPolarHBondContact O-CB 3.28Å; R141-L144 PolarHBondContact O-N 3.1Å; R141-Y146 VanDerWaalsContact CD-OH 3.31Å; R141-Y146 WeakPolarHBondContact CD-OH 3.34Å; R141-Y146 PolarHBondContact NH1-OH 2.92Å
142G96.1Very high96.6Very high28 Ų2839.1 Ų39.129%0.28922%0.215SC..THydrogen-bonded Turntrans-63.1-11.9-177.800000116M136 G137 G139M136-G142 WeakPolarHBondContact CE-O 3.36Å; G137-G142 WeakPolarHBondContact O-CA 3.28Å; G139-G142 PolarHBondContact O-N 3.46Å
143N97Very high96.6Very high57 Ų5736.5 Ų36.531%0.30520%0.203SC..THydrogen-bonded Turntrans-91.7-9.817164-27.7000114.1Q111 M136 R141 F286Q111-N143 PolarHBondContact NE2-O 3.39Å; M136-N143 VanDerWaalsContact CE-C 3.48Å; R141-N143 PolarHBondContact O-N 3.04Å; R141-N143 VanDerWaalsContact O-N 3.1Å; N143-F286 HydrophobicContact CB-CB 3.7Å; N143-F286 HydrophobicContact CB-CD1 3.87Å; N143-F286 HydrophobicContact CB-CG 3.91Å
144L98.3Very high96.6Very high38 Ų3838.7 Ų38.720%0.19921%0.212CC..  trans-94.5121.2-173.3-168.770.2000110.6V63 R115 G137 R141 Y146V63-L144 HydrophobicContact CG1-CD1 3.89Å; R115-L144 VanDerWaalsContact NH2-CD1 3.29Å; G137-L144 PolarHBondContact N-O 3.46Å; R141-L144 HydrophobicContact CB-CB 4.4Å; R141-L144 WeakPolarHBondContact O-CB 3.28Å; R141-L144 PolarHBondContact O-N 3.1Å; L144-Y146 HydrophobicContact CB-CE2 4.28Å; L144-Y146 HydrophobicContact CD2-CD2 4.49Å; L144-Y146 HydrophobicContact CD2-CE2 3.76Å; L144-Y146 HydrophobicContact CG-CD2 4.49Å; L144-Y146 HydrophobicContact CG-CE2 4.16Å
145V98.7Very high96.5Very high0 Ų042.4 Ų42.40%023%0.228CC..EExtended strand (participates in β ladder)trans-74.2136.2169.7-1770000109.3L108 Q111 T112 R115 F134 M136L108-V145 HydrophobicContact CD2-CG2 3.62Å; Q111-V145 HydrophobicContact CB-CB 4.02Å; Q111-V145 HydrophobicContact CB-CG2 3.86Å; Q111-V145 HydrophobicContact CG-CG2 4.41Å; T112-V145 HydrophobicContact CG2-CG1 4.15Å; R115-V145 VanDerWaalsContact CZ-O 3.22Å; R115-V145 PolarHBondContact NE-O 3.01Å; R115-V145 PolarHBondContact NH2-O 3.01Å; F134-V145 HydrophobicContact CB-CG1 4.13Å; F134-V145 HydrophobicContact CD1-CG1 3.8Å; F134-V145 HydrophobicContact CG-CG1 4.35Å; M136-V145 HydrophobicContact CE-CG2 4.33Å; M136-V145 HydrophobicContact SD-CG2 3.8Å
146Y98.7Very high96.5Very high5 Ų541.1 Ų41.12%0.0222%0.221CC..EExtended strand (participates in β ladder)trans-112.3155.9171.4-79-103.9000110.7G64 P66 L85 F134 L135 R141 L144G64-Y146 CarbonylContact O-C 3.43Å; G64-Y146 WeakPolarHBondContact O-CA 3.35Å; G64-Y146 WeakPolarHBondContact O-CD1 3.42Å; P66-Y146 HydrophobicContact CG-CD1 4.41Å; L85-Y146 HydrophobicContact CD1-CD1 3.93Å; L85-Y146 HydrophobicContact CD1-CD2 4.39Å; L85-Y146 HydrophobicContact CD1-CG 3.73Å; L85-Y146 HydrophobicContact CD2-CD1 3.84Å; L85-Y146 HydrophobicContact CD2-CD2 3.74Å; L85-Y146 HydrophobicContact CD2-CE1 3.9Å; L85-Y146 HydrophobicContact CD2-CE2 3.8Å; L85-Y146 HydrophobicContact CD2-CG 3.76Å; L85-Y146 HydrophobicContact CG-CG 4.43Å; F134-Y146 VanDerWaalsContact CA-O 3.27Å; F134-Y146 WeakPolarHBondContact CA-O 3.45Å; L135-Y146 PolarHBondContact N-O 3.06Å; L135-Y146 VanDerWaalsContact N-O 3.09Å; L135-Y146 WeakPolarHBondContact O-CB 3.25Å; L135-Y146 PolarHBondContact O-N 3.46Å; R141-Y146 VanDerWaalsContact CD-OH 3.31Å; R141-Y146 WeakPolarHBondContact CD-OH 3.34Å; R141-Y146 PolarHBondContact NH1-OH 2.92Å; L144-Y146 HydrophobicContact CB-CE2 4.28Å; L144-Y146 HydrophobicContact CD2-CD2 4.49Å; L144-Y146 HydrophobicContact CD2-CE2 3.76Å; L144-Y146 HydrophobicContact CG-CD2 4.49Å; L144-Y146 HydrophobicContact CG-CE2 4.16Å
147L98.4Very high96.5Very high0 Ų041.3 Ų41.30%022%0.222CC..EExtended strand (participates in β ladder)trans-122.5130.5174.6179.947.8000110.2G64 P66 R115 I119 H126 I129 N133 F134G64-L147 PolarHBondContact O-N 3.13Å; P66-L147 WeakPolarHBondContact CD-O 3.39Å; R115-L147 HydrophobicContact CB-CB 3.96Å; R115-L147 HydrophobicContact CB-CD2 3.75Å; R115-L147 HydrophobicContact CG-CB 4.22Å; I119-L147 HydrophobicContact CD1-CD2 3.37Å; I119-L147 HydrophobicContact CD1-CG 3.98Å; H126-L147 WeakPolarHBondContact NE2-CD1 3.46Å; I129-L147 HydrophobicContact CD1-CD2 4.38Å; N133-L147 HydrophobicContact CB-CD1 4.26Å; N133-L147 VanDerWaalsContact O-CD1 3.26Å; N133-L147 WeakPolarHBondContact O-CD1 3.43Å; F134-L147 HydrophobicContact CD1-CB 4.1Å; F134-L147 HydrophobicContact CD1-CD1 3.92Å; F134-L147 HydrophobicContact CD1-CG 4.42Å; F134-L147 HydrophobicContact CE1-CB 4.03Å; F134-L147 HydrophobicContact CE1-CD1 3.71Å; F134-L147 HydrophobicContact CE1-CD2 3.78Å; F134-L147 HydrophobicContact CE1-CG 4.05Å; F134-L147 HydrophobicContact CG-CD1 4.43Å; F134-L147 HydrophobicContact CZ-CD1 4.04Å; F134-L147 HydrophobicContact CZ-CD2 4.18Å
148I96.7Very high96.5Very high29 Ų2943.6 Ų43.615%0.14923%0.233CC..  trans-126.3178.7-171.572.4161.7000113P66 L85 H126 N133 L135P66-I148 HydrophobicContact CG-CG2 3.81Å; L85-I148 HydrophobicContact CD1-CG2 4.03Å; H126-I148 PolarHBondContact CE1-O 2.99Å; H126-I148 PolarHBondContact NE2-O 3.25Å; N133-I148 HydrophobicContact CB-CG1 4.46Å; N133-I148 WeakPolarHBondContact O-CG1 3.37Å; N133-I148 PolarHBondContact O-N 3.2Å; L135-I148 HydrophobicContact CD1-CD1 3.55Å; L135-I148 HydrophobicContact CD1-CG1 3.95Å; L135-I148 HydrophobicContact CD2-CD1 4.16Å
149D94.3Very high96.5Very high13 Ų1343.1 Ų43.17%0.0724%0.237CC..  trans60.770.8174.5-161.215.4000115.1K38 Y56 H126 G151K38-D149 IonicContact NZ-OD1 2.77Å; K38-D149 PolarHBondContact NZ-OD1 2.74Å; Y56-D149 PolarHBondContact OH-N 2.89Å; Y56-D149 VanDerWaalsContact OH-N 3.17Å; H126-D149 PolarHBondContact CE1-O 3.03Å; H126-D149 PolarHBondContact NE2-O 3.21Å; D149-G151 PolarHBondContact O-N 3.28Å
150F95.5Very high96.6Very high0 Ų049.6 Ų49.60%024%0.238CC..G310 helixtrans-80.912.4175.8-55.9-52.1000114.2E52 I55 Y56 M59 I65 I119 H126 L152 A153E52-F150 HydrophobicContact CG-CB 4.11Å; I55-F150 HydrophobicContact CB-CB 4.09Å; I55-F150 HydrophobicContact CD1-CB 4.38Å; I55-F150 HydrophobicContact CG2-CB 3.78Å; I55-F150 HydrophobicContact CG2-CD1 4.47Å; I55-F150 HydrophobicContact CG2-CD2 3.9Å; I55-F150 HydrophobicContact CG2-CG 3.79Å; Y56-F150 AromaticContact CD1-CD2 3.75Å; Y56-F150 HydrophobicContact CD1-CD2 3.75Å; Y56-F150 AromaticContact CD1-CE2 3.56Å; Y56-F150 HydrophobicContact CD1-CE2 3.56Å; Y56-F150 HydrophobicContact CD2-CD2 4.15Å; Y56-F150 AromaticContact CE1-CD2 3.64Å; Y56-F150 HydrophobicContact CE1-CD2 3.64Å; Y56-F150 AromaticContact CE1-CE2 3.42Å; Y56-F150 HydrophobicContact CE1-CE2 3.42Å; Y56-F150 VanDerWaalsContact CE1-CE2 3.42Å; Y56-F150 HydrophobicContact CE1-CZ 4.48Å; Y56-F150 HydrophobicContact CE2-CD2 4.08Å; Y56-F150 AromaticContact CG-CD2 3.98Å; Y56-F150 HydrophobicContact CG-CD2 3.98Å; Y56-F150 HydrophobicContact CG-CE2 4.24Å; Y56-F150 AromaticContact CZ-CD2 3.81Å; M59-F150 HydrophobicContact CG-CE2 4.33Å; I65-F150 HydrophobicContact CD1-CZ 4.09Å; I119-F150 HydrophobicContact CD1-CE1 3.63Å; I119-F150 HydrophobicContact CD1-CZ 4.17Å; I119-F150 HydrophobicContact CG1-CE1 4.23Å; H126-F150 AromaticContact CD2-CE1 3.93Å; H126-F150 AromaticContact NE2-CD1 3.92Å; H126-F150 AromaticContact NE2-CE1 3.87Å; F150-L152 VanDerWaalsContact C-N 3.26Å; F150-L152 PolarHBondContact O-N 2.78Å; F150-A153 HydrophobicContact CB-CB 3.95Å; F150-A153 HydrophobicContact CD1-CB 4.31Å; F150-A153 WeakPolarHBondContact O-CB 3.45Å; F150-A153 PolarHBondContact O-N 3.45Å
151G92.8Very high96.7Very high9 Ų942.5 Ų42.59%0.09321%0.213CC..G310 helixtrans-56.9-39177.800000113Q48 D149Q48-G151 PolarHBondContact OE1-O 3.18Å; Q48-G151 VanDerWaalsContact OE1-O 3.04Å; D149-G151 PolarHBondContact O-N 3.28Å
152L94.3Very high96.8Very high26 Ų2641.9 Ų41.914%0.13621%0.211CC..G310 helixtrans-87.8-3.6175.2-71.5178.9000114.7F20 H126 R127 D128 F150 T174F20-L152 HydrophobicContact CE2-CD1 4.39Å; F20-L152 HydrophobicContact CE2-CD2 4.28Å; F20-L152 HydrophobicContact CE2-CG 3.87Å; F20-L152 HydrophobicContact CZ-CD1 4.23Å; F20-L152 HydrophobicContact CZ-CD2 3.77Å; F20-L152 HydrophobicContact CZ-CG 3.82Å; H126-L152 CarbonylContact O-C 3.51Å; R127-L152 PolarHBondContact NE-O 2.97Å; R127-L152 PolarHBondContact NH2-O 3.42Å; D128-L152 HydrophobicContact CB-CB 4.5Å; D128-L152 HydrophobicContact CB-CD1 3.85Å; F150-L152 VanDerWaalsContact C-N 3.26Å; F150-L152 PolarHBondContact O-N 2.78Å; L152-T174 HydrophobicContact CD1-CG2 4.34Å; L152-T174 HydrophobicContact CD2-CG2 3.88Å
153A97Very high96.9Very high12 Ų1247.5 Ų47.510%0.09923%0.23CC..  trans-66.7152.4-176.500000112.7I55 I125 H126 F150I55-A153 HydrophobicContact CD1-CB 3.91Å; I125-A153 CarbonylContact O-C 3.4Å; I125-A153 VanDerWaalsContact O-CA 3.23Å; I125-A153 WeakPolarHBondContact O-CA 3.48Å; I125-A153 WeakPolarHBondContact O-CB 3.36Å; H126-A153 WeakPolarHBondContact O-CA 3.37Å; H126-A153 PolarHBondContact O-N 3.25Å; F150-A153 HydrophobicContact CB-CB 3.95Å; F150-A153 HydrophobicContact CD1-CB 4.31Å; F150-A153 WeakPolarHBondContact O-CB 3.45Å; F150-A153 PolarHBondContact O-N 3.45Å
154K96.9Very high97Very high51 Ų5146.6 Ų46.622%0.22222%0.223CC..EExtended strand (participates in β ladder)trans-143.6138.9-175.8-179.2-176.9175.8-160.70112.3F124 I125 Y156 E189F124-K154 CarbonylContact C-O 3.59Å; F124-K154 VanDerWaalsContact CA-O 3.26Å; F124-K154 WeakPolarHBondContact CA-O 3.27Å; F124-K154 VanDerWaalsContact CD1-C 3.49Å; I125-K154 HydrophobicContact CG1-CB 4.24Å; I125-K154 WeakPolarHBondContact CG1-O 3.23Å; I125-K154 PolarHBondContact N-O 2.99Å; I125-K154 PolarHBondContact O-N 3.11Å; K154-Y156 PolarHBondContact O-N 2.92Å; K154-E189 IonicContact NZ-OE1 3.52Å; K154-E189 PolarHBondContact NZ-OE1 3.16Å; K154-E189 IonicContact NZ-OE2 3.5Å; K154-E189 PolarHBondContact NZ-OE2 2.92Å
155K97.9Very high97Very high78 Ų7846.6 Ų46.634%0.33922%0.223SC..EExtended strand (participates in β ladder)trans-66.8121.9171.1-165.3-173.3-166.9-173.90109.7N123 F124 R157 D158 S159N123-K155 WeakPolarHBondContact O-CA 3.49Å; F124-K155 HydrophobicContact CD1-CB 4.42Å; F124-K155 HydrophobicContact CE1-CB 4.16Å; F124-K155 HydrophobicContact CZ-CB 4.42Å; K155-R157 WeakPolarHBondContact CE-O 3.3Å; K155-R157 WeakPolarHBondContact CG-O 3.18Å; K155-D158 IonicContact NZ-OD2 3.87Å; K155-D158 PolarHBondContact NZ-OD2 3.42Å; K155-S159 WeakPolarHBondContact CE-OG 3.35Å; K155-S159 PolarHBondContact NZ-OG 3.22Å
156Y98.6Very high97Very high0 Ų050.4 Ų50.40%025%0.248CC..  trans-109.6-16-17778.7-86.9000114.1Q120 N123 F124 I125 K154 H164 I165 R192Q120-Y156 HydrophobicContact CB-CE1 4.24Å; Q120-Y156 HydrophobicContact CG-CE1 4.46Å; Q120-Y156 WeakPolarHBondContact O-CE1 3.21Å; Q120-Y156 PolarHBondContact O-OH 3.41Å; N123-Y156 VanDerWaalsContact C-CD1 3.41Å; N123-Y156 WeakPolarHBondContact O-CD1 3.27Å; N123-Y156 PolarHBondContact O-N 2.59Å; F124-Y156 VanDerWaalsContact C-CD1 3.46Å; F124-Y156 WeakPolarHBondContact O-CE1 3.4Å; I125-Y156 HydrophobicContact CG2-CD1 3.74Å; I125-Y156 HydrophobicContact CG2-CE1 4.39Å; I125-Y156 HydrophobicContact CG2-CG 3.99Å; K154-Y156 PolarHBondContact O-N 2.92Å; Y156-H164 AromaticContact CD2-CD2 3.62Å; Y156-H164 AromaticContact CD2-NE2 3.51Å; Y156-H164 CarbonylContact O-C 3.54Å; Y156-I165 WeakPolarHBondContact O-CG1 3.26Å; Y156-I165 WeakPolarHBondContact O-CG2 3.28Å; Y156-I165 PolarHBondContact O-N 3.09Å; Y156-R192 HydrophobicContact CD2-CG 4.1Å; Y156-R192 HydrophobicContact CE1-CG 4.23Å; Y156-R192 HydrophobicContact CE2-CG 3.66Å; Y156-R192 WeakPolarHBondContact OH-CD 3.19Å; Y156-R192 PolarHBondContact OH-NH1 3.23Å; Y156-R192 VanDerWaalsContact OH-NH1 3.11Å
157R98Very high97Very high9 Ų955.3 Ų55.33%0.03427%0.267CS..BIsolated β-bridgetrans-138.5153.1169.564.7178.4167.4-161.1-15.1110.2Q120 N123 K155 R162 Q163 E263Q120-R157 PolarHBondContact O-NH2 2.99Å; N123-R157 HydrophobicContact CB-CG 3.81Å; N123-R157 WeakPolarHBondContact OD1-CG 3.47Å; N123-R157 PolarHBondContact OD1-NE 3.45Å; K155-R157 WeakPolarHBondContact CE-O 3.3Å; K155-R157 WeakPolarHBondContact CG-O 3.18Å; R157-R162 VanDerWaalsContact CZ-NH2 3.31Å; R157-Q163 CarbonylContact C-O 3.57Å; R157-Q163 WeakPolarHBondContact CA-O 3.14Å; R157-Q163 WeakPolarHBondContact CB-O 3.38Å; R157-E263 IonicContact CZ-OE1 3.89Å; R157-E263 IonicContact CZ-OE2 3Å; R157-E263 IonicContact NH1-OE1 3.77Å; R157-E263 PolarHBondContact NH1-OE1 2.97Å; R157-E263 IonicContact NH1-OE2 2.72Å; R157-E263 PolarHBondContact NH1-OE2 2.66Å; R157-E263 IonicContact NH2-OE1 3.8Å; R157-E263 PolarHBondContact NH2-OE1 3.49Å
158D97.6Very high96.9Very high54 Ų5462.1 Ų62.129%0.28929%0.293SS..  trans-65.1149.5173.4-175.2-113.3000112K155 R160 T161 R162 Q163K155-D158 IonicContact NZ-OD2 3.87Å; K155-D158 PolarHBondContact NZ-OD2 3.42Å; D158-R160 WeakPolarHBondContact OD1-CA 3.41Å; D158-R160 WeakPolarHBondContact OD1-CB 3.19Å; D158-R160 PolarHBondContact OD1-N 2.94Å; D158-T161 WeakPolarHBondContact CB-OG1 3.49Å; D158-T161 PolarHBondContact OD1-N 3.36Å; D158-R162 VanDerWaalsContact O-CA 3.28Å; D158-R162 WeakPolarHBondContact O-CA 3.44Å; D158-R162 PolarHBondContact O-N 3.33Å; D158-Q163 PolarHBondContact N-O 3.1Å
159S95.3Very high97Very high76 Ų7665.9 Ų65.953%0.53131%0.31SS..THydrogen-bonded Turntrans-71.3-31.3-178-49.20000112.6K155K155-S159 WeakPolarHBondContact CE-OG 3.35Å; K155-S159 PolarHBondContact NZ-OG 3.22Å
160R96.4Very high97.1Very high209 Ų20972.8 Ų72.879%0.78935%0.346SS*.THydrogen-bonded Turntrans-103.8-49.8-173-178.7-177.764.888.6-0.5111.7D158D158-R160 WeakPolarHBondContact OD1-CA 3.41Å; D158-R160 WeakPolarHBondContact OD1-CB 3.19Å; D158-R160 PolarHBondContact OD1-N 2.94Å
161T97.5Very high97.1Very high69 Ų6976.2 Ų76.242%0.42336%0.362SS..THydrogen-bonded Turntrans-85.4-11.3-178.566.90000113.3D158 Q163D158-T161 WeakPolarHBondContact CB-OG1 3.49Å; D158-T161 PolarHBondContact OD1-N 3.36Å; T161-Q163 PolarHBondContact O-N 3.31Å; T161-Q163 WeakPolarHBondContact OG1-CB 3.35Å; T161-Q163 PolarHBondContact OG1-N 3.05Å
162R96.7Very high97.2Very high117 Ų11782.7 Ų82.744%0.44239%0.394SS..  trans57.66.4-174.1-58-75.5-84-164.8-14.4114.6N123 R157 D158 H164N123-R162 PolarHBondContact OD1-NH1 2.88Å; R157-R162 VanDerWaalsContact CZ-NH2 3.31Å; D158-R162 VanDerWaalsContact O-CA 3.28Å; D158-R162 WeakPolarHBondContact O-CA 3.44Å; D158-R162 PolarHBondContact O-N 3.33Å; R162-H164 PolarHBondContact O-N 3.11Å
163Q98.1Very high97.1Very high146 Ų14683.9 Ų83.968%0.68240%0.4SS*.PPolyproline II helixtrans-59.8126.3177.2-173.3-179.823.700110.4R157 D158 T161R157-Q163 CarbonylContact C-O 3.57Å; R157-Q163 WeakPolarHBondContact CA-O 3.14Å; R157-Q163 WeakPolarHBondContact CB-O 3.38Å; D158-Q163 PolarHBondContact N-O 3.1Å; T161-Q163 PolarHBondContact O-N 3.31Å; T161-Q163 WeakPolarHBondContact OG1-CB 3.35Å; T161-Q163 PolarHBondContact OG1-N 3.05Å
164H98.7Very high96.9Very high38 Ų3885 Ų8518%0.17641%0.406CS..BIsolated β-bridgetrans-68.5151.7177.6-159.2-86.7000111.2Y156 R162 F260 D261Y156-H164 AromaticContact CD2-CD2 3.62Å; Y156-H164 AromaticContact CD2-NE2 3.51Å; Y156-H164 CarbonylContact O-C 3.54Å; R162-H164 PolarHBondContact O-N 3.11Å; H164-F260 AromaticContact CE1-CD1 3.96Å; H164-F260 AromaticContact CE1-CE1 3.55Å; H164-F260 AromaticContact CE1-CZ 3.68Å; H164-F260 PolarHBondContact CE1-O 3.18Å; H164-F260 AromaticContact ND1-CE1 3.5Å; H164-F260 AromaticContact ND1-CZ 3.94Å; H164-D261 HydrophobicContact CB-CB 4.39Å
165I98.5Very high96.7Very high38 Ų3883.5 Ų83.520%0.19541%0.405CS..PPolyproline II helixtrans-60.1147.1168.456.8171.9000110Y156 E189 F260Y156-I165 WeakPolarHBondContact O-CG1 3.26Å; Y156-I165 WeakPolarHBondContact O-CG2 3.28Å; Y156-I165 PolarHBondContact O-N 3.09Å; I165-E189 HydrophobicContact CD1-CG 4.06Å; I165-F260 HydrophobicContact CD1-CZ 4.42Å; I165-F260 HydrophobicContact CG1-CZ 4.07Å; I165-F260 VanDerWaalsContact O-CE1 3.27Å; I165-F260 WeakPolarHBondContact O-CE1 3.38Å
166P98.2Very high96.6Very high79 Ų7981.5 Ų81.551%0.51340%0.399SS..PPolyproline II helixtrans-66.8148175.928.1-35.4000111.3
167Y98.6Very high96.6Very high108 Ų10881.8 Ų81.842%0.42440%0.402SS..PPolyproline II helixtrans-59.7140.4170.8-179.7-95.9000110.7E169 I188 F260Y167-E169 HydrophobicContact CD1-CG 4.47Å; Y167-E169 HydrophobicContact CE1-CG 3.53Å; Y167-E169 VanDerWaalsContact CE1-OE1 3.23Å; Y167-E169 WeakPolarHBondContact CE1-OE1 3.35Å; Y167-E169 PolarHBondContact OH-OE1 2.81Å; Y167-I188 HydrophobicContact CD2-CG2 4.25Å; Y167-I188 HydrophobicContact CE2-CG2 3.45Å; Y167-I188 VanDerWaalsContact CE2-CG2 3.45Å; Y167-F260 VanDerWaalsContact CA-CE1 3.45Å; Y167-F260 HydrophobicContact CD2-CB 4.08Å; Y167-F260 HydrophobicContact CD2-CD1 4.03Å; Y167-F260 HydrophobicContact CD2-CD2 4.02Å; Y167-F260 HydrophobicContact CD2-CE1 4.45Å; Y167-F260 HydrophobicContact CD2-CE2 4.46Å; Y167-F260 AromaticContact CD2-CG 3.78Å; Y167-F260 HydrophobicContact CD2-CG 3.78Å; Y167-F260 VanDerWaalsContact N-CE1 3.34Å
168R98.1Very high96.6Very high143 Ų14382.9 Ų82.954%0.5441%0.406SS..  trans-150.5151.2178.6-59.6-177.7-176.7-165-0.7110.2K171 E189R168-K171 HydrophobicContact CB-CD 4.44Å; R168-E189 HydrophobicContact CB-CB 4.06Å; R168-E189 WeakPolarHBondContact O-CB 3.37Å; R168-E189 PolarHBondContact O-N 3Å
169E97.8Very high96.6Very high108 Ų10880.4 Ų80.451%0.50539%0.392SS..  trans-120-170.4177.5-58.8-177.1162.500110.3Y167 K171 G187Y167-E169 HydrophobicContact CD1-CG 4.47Å; Y167-E169 HydrophobicContact CE1-CG 3.53Å; Y167-E169 VanDerWaalsContact CE1-OE1 3.23Å; Y167-E169 WeakPolarHBondContact CE1-OE1 3.35Å; Y167-E169 PolarHBondContact OH-OE1 2.81Å; E169-K171 PolarHBondContact O-N 2.72Å; E169-G187 CarbonylContact C-O 3.58Å; E169-G187 WeakPolarHBondContact CA-O 3.43Å
170N96Very high96.8Very high158 Ų15877 Ų7785%0.84537%0.369SS*.SBendtrans54.635.8-179.8-60.6-69.5000113.4G187N170-G187 PolarHBondContact N-O 3.41Å
171K96.6Very high96.9Very high73 Ų7367.1 Ų67.132%0.31733%0.332SS..PPolyproline II helixtrans-84.6141.4175.7-53.7-59.9-57.1-160.80110.7R168 E169 G187 E189R168-K171 HydrophobicContact CB-CD 4.44Å; E169-K171 PolarHBondContact O-N 2.72Å; K171-G187 VanDerWaalsContact CB-O 3.25Å; K171-G187 WeakPolarHBondContact CB-O 3.41Å; K171-G187 VanDerWaalsContact CG-O 3.26Å; K171-G187 WeakPolarHBondContact CG-O 3.13Å; K171-G187 PolarHBondContact N-O 2.88Å; K171-G187 VanDerWaalsContact O-CA 3.29Å; K171-G187 WeakPolarHBondContact O-CA 3.23Å; K171-E189 HydrophobicContact CD-CB 4.28Å; K171-E189 VanDerWaalsContact CE-CD 3.47Å; K171-E189 WeakPolarHBondContact CE-OE1 3.38Å; K171-E189 WeakPolarHBondContact CE-OE2 3.37Å; K171-E189 HydrophobicContact CG-CB 4.1Å; K171-E189 VanDerWaalsContact NZ-CD 3.28Å; K171-E189 IonicContact NZ-OE1 2.86Å; K171-E189 PolarHBondContact NZ-OE1 2.95Å; K171-E189 IonicContact NZ-OE2 2.66Å; K171-E189 PolarHBondContact NZ-OE2 3.16Å
172N93.8Very high96.9Very high144 Ų14465 Ų6577%0.7732%0.318SS*.PPolyproline II helixtrans-68.9138.5168-69.2-34000110.8T174N172-T174 PolarHBondContact O-N 2.94Å; N172-T174 VanDerWaalsContact O-N 3.12Å; N172-T174 PolarHBondContact O-OG1 3.4Å
173L93Very high97Very high51 Ų5160.7 Ų60.727%0.26730%0.303SS..PPolyproline II helixtrans-50.8118.5173.4-165.589000110.2A177 T184 H185 Y225L173-A177 HydrophobicContact CD2-CB 3.76Å; L173-T184 HydrophobicContact CD1-CG2 3.83Å; L173-T184 HydrophobicContact CG-CG2 4.36Å; L173-H185 HydrophobicContact CD1-CB 4.31Å; L173-Y225 HydrophobicContact CD2-CD1 4.17Å; L173-Y225 HydrophobicContact CD2-CD2 3.45Å; L173-Y225 VanDerWaalsContact CD2-CD2 3.45Å; L173-Y225 HydrophobicContact CD2-CE1 4.37Å; L173-Y225 HydrophobicContact CD2-CE2 3.68Å; L173-Y225 HydrophobicContact CD2-CG 3.7Å
174T92.8Very high97Very high36 Ų3654 Ų5422%0.22127%0.272CS..  trans-118137.8-178.1-57.20000109.2L152 N172 Q190L152-T174 HydrophobicContact CD1-CG2 4.34Å; L152-T174 HydrophobicContact CD2-CG2 3.88Å; N172-T174 PolarHBondContact O-N 2.94Å; N172-T174 VanDerWaalsContact O-N 3.12Å; N172-T174 PolarHBondContact O-OG1 3.4Å; T174-Q190 PolarHBondContact O-NE2 3.01Å
175G93.3Very high96.9Very high20 Ų2053.5 Ų53.521%0.20627%0.27CS..SBendtrans80.7-169.7-17500000114D128 A177D128-G175 WeakPolarHBondContact OD1-CA 3.28Å; G175-A177 PolarHBondContact O-N 2.94Å
176T95.5Very high96.9Very high36 Ų3656.3 Ų56.322%0.22129%0.285CS..  trans-83.1104.6-168.8-59.60000111.6D128 K130 R178 Y179 A180D128-T176 VanDerWaalsContact OD1-CB 3.24Å; D128-T176 WeakPolarHBondContact OD1-CB 3.46Å; D128-T176 PolarHBondContact OD1-N 3.25Å; D128-T176 PolarHBondContact OD1-OG1 3.39Å; K130-T176 WeakPolarHBondContact CD-OG1 3.35Å; T176-R178 HydrophobicContact CG2-CB 4.24Å; T176-R178 PolarHBondContact O-N 2.89Å; T176-Y179 HydrophobicContact CG2-CD2 3.72Å; T176-Y179 HydrophobicContact CG2-CE2 4.05Å; T176-Y179 PolarHBondContact O-N 3.14Å; T176-A180 PolarHBondContact O-N 3.47Å
177A97.1Very high96.8Very high6 Ų653 Ų535%0.0527%0.266CS..THydrogen-bonded Turntrans-44.7-35-17700000115.9L173 G175 Y179 H185 Y225 I228 K232L173-A177 HydrophobicContact CD2-CB 3.76Å; G175-A177 PolarHBondContact O-N 2.94Å; A177-Y179 VanDerWaalsContact C-N 3.29Å; A177-Y179 PolarHBondContact O-N 2.76Å; A177-H185 PolarHBondContact O-NE2 3.18Å; A177-Y225 HydrophobicContact CB-CD1 3.48Å; A177-Y225 VanDerWaalsContact CB-CD1 3.48Å; A177-Y225 HydrophobicContact CB-CE1 3.42Å; A177-Y225 VanDerWaalsContact CB-CE1 3.42Å; A177-Y225 HydrophobicContact CB-CG 4.28Å; A177-I228 HydrophobicContact CB-CD1 4.35Å; A177-K232 PolarHBondContact O-NZ 3.45Å
178R98.1Very high96.8Very high31 Ų3148.8 Ų48.812%0.11725%0.25CS..THydrogen-bonded Turntrans-57.4-40.4176.4-165.6-163.9-64171-1.4111.6T176 Y205 L211 W213 Q214 K232 M424T176-R178 HydrophobicContact CG2-CB 4.24Å; T176-R178 PolarHBondContact O-N 2.89Å; R178-Y205 PolarHBondContact NH1-OH 3.27Å; R178-L211 HydrophobicContact CG-CD1 4.17Å; R178-W213 PolarHBondContact O-NE1 3.08Å; R178-Q214 HydrophobicContact CG-CG 4.08Å; R178-K232 WeakPolarHBondContact O-CE 3.35Å; R178-K232 PolarHBondContact O-NZ 2.76Å; R178-M424 VanDerWaalsContact NH2-CE 3.33Å
179Y98.6Very high96.8Very high2 Ų242.4 Ų42.41%0.00823%0.226CC..THydrogen-bonded Turntrans-105.7-22.1-176.4-49.1-64.2000113.3I129 K130 P131 T176 A177 S198 Y201 V202 Y205 L211I129-Y179 WeakPolarHBondContact O-CB 3.42Å; K130-Y179 HydrophobicContact CB-CD2 3.45Å; K130-Y179 VanDerWaalsContact CB-CD2 3.45Å; K130-Y179 HydrophobicContact CB-CE2 3.61Å; K130-Y179 HydrophobicContact CB-CG 4.44Å; P131-Y179 WeakPolarHBondContact CD-OH 3.31Å; P131-Y179 HydrophobicContact CG-CE1 4.4Å; P131-Y179 HydrophobicContact CG-CE2 4.4Å; P131-Y179 WeakPolarHBondContact CG-OH 3.44Å; T176-Y179 HydrophobicContact CG2-CD2 3.72Å; T176-Y179 HydrophobicContact CG2-CE2 4.05Å; T176-Y179 PolarHBondContact O-N 3.14Å; A177-Y179 VanDerWaalsContact C-N 3.29Å; A177-Y179 PolarHBondContact O-N 2.76Å; Y179-S198 VanDerWaalsContact O-CA 3.3Å; Y179-S198 WeakPolarHBondContact O-CA 3.27Å; Y179-S198 WeakPolarHBondContact O-CB 3.48Å; Y179-S198 PolarHBondContact O-OG 3.17Å; Y179-Y201 VanDerWaalsContact O-CD2 3.28Å; Y179-Y201 WeakPolarHBondContact O-CD2 3.16Å; Y179-V202 HydrophobicContact CD1-CG2 3.67Å; Y179-V202 HydrophobicContact CE1-CG2 4.07Å; Y179-V202 HydrophobicContact CG-CG2 3.96Å; Y179-Y205 HydrophobicContact CE1-CD1 4.29Å; Y179-Y205 HydrophobicContact CE1-CD2 4.45Å; Y179-Y205 HydrophobicContact CE1-CG 4.11Å; Y179-Y205 WeakPolarHBondContact OH-CE1 3.46Å; Y179-L211 HydrophobicContact CD1-CD1 4.11Å; Y179-L211 HydrophobicContact CE1-CD1 4.08Å
180A98.3Very high96.9Very high6 Ų637.8 Ų37.85%0.0521%0.205CC..  trans-50.1141.3179.100000114.7T176 T184 K232T176-A180 PolarHBondContact O-N 3.47Å; A180-T184 HydrophobicContact CB-CG2 3.89Å; A180-K232 PolarHBondContact O-NZ 3.46Å
181S98.6Very high97Very high0 Ų030.3 Ų30.30%017%0.165CC..  trans-60.1160.1179.166.50000113.9N183 T184 H185 D194 E197S181-N183 VanDerWaalsContact C-N 3.29Å; S181-N183 PolarHBondContact O-N 3.41Å; S181-T184 WeakPolarHBondContact O-CB 3.26Å; S181-T184 PolarHBondContact O-N 3.35Å; S181-T184 VanDerWaalsContact O-N 3.14Å; S181-T184 WeakPolarHBondContact OG-CB 3.41Å; S181-T184 PolarHBondContact OG-N 3.35Å; S181-T184 VanDerWaalsContact OG-N 3.08Å; S181-T184 PolarHBondContact OG-OG1 2.86Å; S181-H185 PolarHBondContact O-CD2 3.06Å; S181-H185 PolarHBondContact O-N 3.48Å; S181-D194 VanDerWaalsContact CB-OD1 3.25Å; S181-D194 WeakPolarHBondContact CB-OD1 3.35Å; S181-D194 PolarHBondContact OG-OD1 2.87Å; S181-E197 WeakPolarHBondContact CA-OE1 3.44Å; S181-E197 WeakPolarHBondContact CB-OE2 3.21Å
182I98.4Very high97.1Very high26 Ų2627.4 Ų27.413%0.13315%0.152CC..Hα-helixtrans-58.7-42.4171.8-70.5178.5000110.6T184 H185 L186 E197 K232 M233I182-T184 VanDerWaalsContact C-N 3.26Å; I182-T184 PolarHBondContact O-N 2.89Å; I182-H185 PolarHBondContact O-N 3.3Å; I182-L186 HydrophobicContact CG2-CD1 3.9Å; I182-L186 HydrophobicContact CG2-CG 4.26Å; I182-L186 WeakPolarHBondContact O-CG 3.45Å; I182-L186 PolarHBondContact O-N 2.85Å; I182-E197 PolarHBondContact N-OE1 3.19Å; I182-K232 HydrophobicContact CG1-CB 4.22Å; I182-M233 HydrophobicContact CD1-CG 4.25Å; I182-M233 HydrophobicContact CG1-CG 4.49Å; I182-M233 HydrophobicContact CG2-CG 3.95Å; I182-M233 HydrophobicContact CG2-SD 4.31Å
183N98.4Very high97.3Very high25 Ų2521.8 Ų21.813%0.13412%0.12CC..Hα-helixtrans-57-39.8175.8-53.4-65.5000112.1S181 H185 L186 G187 I188 R193 D194S181-N183 VanDerWaalsContact C-N 3.29Å; S181-N183 PolarHBondContact O-N 3.41Å; N183-H185 VanDerWaalsContact C-N 3.33Å; N183-H185 PolarHBondContact O-N 3.1Å; N183-L186 CarbonylContact O-C 3.48Å; N183-L186 PolarHBondContact O-N 3.17Å; N183-G187 PolarHBondContact O-N 3.36Å; N183-I188 HydrophobicContact CB-CB 4.07Å; N183-I188 HydrophobicContact CB-CD1 4.18Å; N183-I188 HydrophobicContact CB-CG2 4.42Å; N183-I188 WeakPolarHBondContact O-CB 3.35Å; N183-I188 PolarHBondContact O-N 2.93Å; N183-R193 VanDerWaalsContact CG-NH2 3.28Å; N183-R193 PolarHBondContact ND2-NH2 3.2Å; N183-R193 PolarHBondContact OD1-NH2 3.34Å; N183-R193 VanDerWaalsContact OD1-NH2 3.15Å; N183-D194 WeakPolarHBondContact CB-OD1 3.25Å; N183-D194 PolarHBondContact ND2-OD1 3.03Å
184T98.2Very high97.6Very high5 Ų519.4 Ų19.43%0.03111%0.107CC..Hα-helixtrans-62.1-41.6176.9-600000111.7L173 A180 S181 I182 G187 Q190L173-T184 HydrophobicContact CD1-CG2 3.83Å; L173-T184 HydrophobicContact CG-CG2 4.36Å; A180-T184 HydrophobicContact CB-CG2 3.89Å; S181-T184 WeakPolarHBondContact O-CB 3.26Å; S181-T184 PolarHBondContact O-N 3.35Å; S181-T184 VanDerWaalsContact O-N 3.14Å; S181-T184 WeakPolarHBondContact OG-CB 3.41Å; S181-T184 PolarHBondContact OG-N 3.35Å; S181-T184 VanDerWaalsContact OG-N 3.08Å; S181-T184 PolarHBondContact OG-OG1 2.86Å; I182-T184 VanDerWaalsContact C-N 3.26Å; I182-T184 PolarHBondContact O-N 2.89Å; T184-G187 PolarHBondContact O-N 2.68Å; T184-Q190 VanDerWaalsContact OG1-CG 3.28Å; T184-Q190 WeakPolarHBondContact OG1-CG 3.23Å; T184-Q190 PolarHBondContact OG1-NE2 2.96Å
185H97.7Very high97.9Very high28 Ų2817.8 Ų17.813%0.1310%0.097CC..Hα-helixtrans-69.2-32176.3-81.9-80.9000113L173 A177 S181 I182 N183 G187 S229L173-H185 HydrophobicContact CD1-CB 4.31Å; A177-H185 PolarHBondContact O-NE2 3.18Å; S181-H185 PolarHBondContact O-CD2 3.06Å; S181-H185 PolarHBondContact O-N 3.48Å; I182-H185 PolarHBondContact O-N 3.3Å; N183-H185 VanDerWaalsContact C-N 3.33Å; N183-H185 PolarHBondContact O-N 3.1Å; H185-G187 PolarHBondContact O-N 3.05Å; H185-S229 WeakPolarHBondContact CB-OG 3.47Å
186L97Very high98.2Very high97 Ų9716.8 Ų16.851%0.5089%0.088SC..THydrogen-bonded Turntrans-74.63.2171.3-64.8174.6000113.5I182 N183 I188 M233I182-L186 HydrophobicContact CG2-CD1 3.9Å; I182-L186 HydrophobicContact CG2-CG 4.26Å; I182-L186 WeakPolarHBondContact O-CG 3.45Å; I182-L186 PolarHBondContact O-N 2.85Å; N183-L186 CarbonylContact O-C 3.48Å; N183-L186 PolarHBondContact O-N 3.17Å; L186-I188 VanDerWaalsContact C-N 3.28Å; L186-I188 HydrophobicContact CB-CD1 4.18Å; L186-I188 HydrophobicContact CB-CG1 4.24Å; L186-I188 HydrophobicContact CD1-CD1 4.48Å; L186-I188 PolarHBondContact O-N 2.99Å; L186-M233 HydrophobicContact CD2-SD 3.99Å
187G97.5Very high98.3Very high10 Ų1015.2 Ų15.210%0.1038%0.077CC..THydrogen-bonded Turntrans69.124.9179.800000113.8E169 N170 K171 N183 T184 H185E169-G187 CarbonylContact C-O 3.58Å; E169-G187 WeakPolarHBondContact CA-O 3.43Å; N170-G187 PolarHBondContact N-O 3.41Å; K171-G187 VanDerWaalsContact CB-O 3.25Å; K171-G187 WeakPolarHBondContact CB-O 3.41Å; K171-G187 VanDerWaalsContact CG-O 3.26Å; K171-G187 WeakPolarHBondContact CG-O 3.13Å; K171-G187 PolarHBondContact N-O 2.88Å; K171-G187 VanDerWaalsContact O-CA 3.29Å; K171-G187 WeakPolarHBondContact O-CA 3.23Å; N183-G187 PolarHBondContact O-N 3.36Å; T184-G187 PolarHBondContact O-N 2.68Å; H185-G187 PolarHBondContact O-N 3.05Å
188I98.3Very high98.4Very high20 Ų2015.4 Ų15.410%0.1038%0.078CC..PPolyproline II helixtrans-82.8145.1173.1-59.7170.8000108.9Y167 N183 L186 Q190Y167-I188 HydrophobicContact CD2-CG2 4.25Å; Y167-I188 HydrophobicContact CE2-CG2 3.45Å; Y167-I188 VanDerWaalsContact CE2-CG2 3.45Å; N183-I188 HydrophobicContact CB-CB 4.07Å; N183-I188 HydrophobicContact CB-CD1 4.18Å; N183-I188 HydrophobicContact CB-CG2 4.42Å; N183-I188 WeakPolarHBondContact O-CB 3.35Å; N183-I188 PolarHBondContact O-N 2.93Å; L186-I188 VanDerWaalsContact C-N 3.28Å; L186-I188 HydrophobicContact CB-CD1 4.18Å; L186-I188 HydrophobicContact CB-CG1 4.24Å; L186-I188 HydrophobicContact CD1-CD1 4.48Å; L186-I188 PolarHBondContact O-N 2.99Å; I188-Q190 PolarHBondContact O-N 3.09Å
189E98.5Very high98.4Very high8 Ų813.9 Ų13.94%0.0377%0.073CC..PPolyproline II helixtrans-62.6129.8173.5-171.182.9-101.700110K154 I165 R168 K171 F260K154-E189 IonicContact NZ-OE1 3.52Å; K154-E189 PolarHBondContact NZ-OE1 3.16Å; K154-E189 IonicContact NZ-OE2 3.5Å; K154-E189 PolarHBondContact NZ-OE2 2.92Å; I165-E189 HydrophobicContact CD1-CG 4.06Å; R168-E189 HydrophobicContact CB-CB 4.06Å; R168-E189 WeakPolarHBondContact O-CB 3.37Å; R168-E189 PolarHBondContact O-N 3Å; K171-E189 HydrophobicContact CD-CB 4.28Å; K171-E189 VanDerWaalsContact CE-CD 3.47Å; K171-E189 WeakPolarHBondContact CE-OE1 3.38Å; K171-E189 WeakPolarHBondContact CE-OE2 3.37Å; K171-E189 HydrophobicContact CG-CB 4.1Å; K171-E189 VanDerWaalsContact NZ-CD 3.28Å; K171-E189 IonicContact NZ-OE1 2.86Å; K171-E189 PolarHBondContact NZ-OE1 2.95Å; K171-E189 IonicContact NZ-OE2 2.66Å; K171-E189 PolarHBondContact NZ-OE2 3.16Å; E189-F260 HydrophobicContact CB-CE2 4.35Å; E189-F260 VanDerWaalsContact O-CE2 3.22Å; E189-F260 WeakPolarHBondContact O-CE2 3.19Å
190Q98.7Very high98.5Very high12 Ų1214 Ų146%0.0567%0.074CC..PPolyproline II helixtrans-72.2147.1-178.3-69.4174.86.100112.1I125 R127 T174 T184 I188 D194I125-Q190 HydrophobicContact CD1-CB 3.99Å; I125-Q190 WeakPolarHBondContact CD1-O 3.33Å; R127-Q190 VanDerWaalsContact CA-OE1 3.28Å; R127-Q190 VanDerWaalsContact CD-OE1 3.25Å; T174-Q190 PolarHBondContact O-NE2 3.01Å; T184-Q190 VanDerWaalsContact OG1-CG 3.28Å; T184-Q190 WeakPolarHBondContact OG1-CG 3.23Å; T184-Q190 PolarHBondContact OG1-NE2 2.96Å; I188-Q190 PolarHBondContact O-N 3.09Å; Q190-D194 HydrophobicContact CB-CB 4.11Å; Q190-D194 HydrophobicContact CG-CB 4.06Å
191A98.6Very high98.5Very high0 Ų013.7 Ų13.70%07%0.072CC..  trans-137.1-167.1171.200000110.6R193 D194 F260A191-R193 VanDerWaalsContact C-N 3.27Å; A191-R193 PolarHBondContact O-N 3.18Å; A191-D194 PolarHBondContact N-OD2 3.15Å; A191-D194 WeakPolarHBondContact O-CB 3.41Å; A191-D194 PolarHBondContact O-N 3.44Å; A191-F260 HydrophobicContact CB-CD2 3.64Å; A191-F260 HydrophobicContact CB-CE2 3.71Å; A191-F260 HydrophobicContact CB-CG 4.39Å; A191-F260 WeakPolarHBondContact CB-O 3.45Å
192R98.8Very high98.5Very high12 Ų1213.7 Ų13.75%0.0457%0.072CC..Hα-helixtrans-54.9-39.9-173.5-69.5-176.2-85-149.14.3114.2Q120 I125 Y156 D194 M196 D261 N262 E263 P264Q120-R192 HydrophobicContact CB-CG 4.41Å; Q120-R192 HydrophobicContact CG-CG 4.14Å; Q120-R192 PolarHBondContact NE2-O 2.91Å; Q120-R192 VanDerWaalsContact NE2-O 3.16Å; I125-R192 HydrophobicContact CG2-CG 4.29Å; Y156-R192 HydrophobicContact CD2-CG 4.1Å; Y156-R192 HydrophobicContact CE1-CG 4.23Å; Y156-R192 HydrophobicContact CE2-CG 3.66Å; Y156-R192 WeakPolarHBondContact OH-CD 3.19Å; Y156-R192 PolarHBondContact OH-NH1 3.23Å; Y156-R192 VanDerWaalsContact OH-NH1 3.11Å; R192-D194 PolarHBondContact O-N 2.84Å; R192-M196 WeakPolarHBondContact O-CG 3.42Å; R192-M196 PolarHBondContact O-N 3.09Å; R192-D261 PolarHBondContact NH2-O 2.95Å; R192-N262 VanDerWaalsContact CZ-O 3.25Å; R192-N262 PolarHBondContact NE-O 2.94Å; R192-N262 VanDerWaalsContact NH2-C 3.26Å; R192-N262 PolarHBondContact NH2-O 3.47Å; R192-N262 VanDerWaalsContact NH2-O 3.12Å; R192-E263 IonicContact CZ-OE2 2.72Å; R192-E263 IonicContact NH1-OE1 2.72Å; R192-E263 IonicContact NH1-OE2 2.69Å; R192-E263 PolarHBondContact NH1-OE2 2.89Å; R192-E263 IonicContact NH2-OE2 3.28Å; R192-P264 HydrophobicContact CB-CG 3.93Å
193R98.7Very high98.5Very high26 Ų2612.6 Ų12.610%0.0987%0.066CC..Hα-helixtrans-59.3-29.2178.867-175.7-175.9162.95.8113.2N183 A191 M196 E197 M258N183-R193 VanDerWaalsContact CG-NH2 3.28Å; N183-R193 PolarHBondContact ND2-NH2 3.2Å; N183-R193 PolarHBondContact OD1-NH2 3.34Å; N183-R193 VanDerWaalsContact OD1-NH2 3.15Å; A191-R193 VanDerWaalsContact C-N 3.27Å; A191-R193 PolarHBondContact O-N 3.18Å; R193-M196 PolarHBondContact O-N 2.83Å; R193-E197 WeakPolarHBondContact O-CB 3.48Å; R193-E197 PolarHBondContact O-N 3.38Å; R193-M258 HydrophobicContact CB-CB 3.81Å; R193-M258 HydrophobicContact CB-CE 3.81Å; R193-M258 HydrophobicContact CB-SD 4.29Å; R193-M258 WeakPolarHBondContact CD-O 3.43Å; R193-M258 PolarHBondContact NH1-O 2.81Å
194D98.9Very high98.5Very high1 Ų111.4 Ų11.41%0.0056%0.06CC..Hα-helixtrans-80-35.2-172.8-59.4-75.9000112.4S181 N183 Q190 A191 R192 M196 S198S181-D194 VanDerWaalsContact CB-OD1 3.25Å; S181-D194 WeakPolarHBondContact CB-OD1 3.35Å; S181-D194 PolarHBondContact OG-OD1 2.87Å; N183-D194 WeakPolarHBondContact CB-OD1 3.25Å; N183-D194 PolarHBondContact ND2-OD1 3.03Å; Q190-D194 HydrophobicContact CB-CB 4.11Å; Q190-D194 HydrophobicContact CG-CB 4.06Å; A191-D194 PolarHBondContact N-OD2 3.15Å; A191-D194 WeakPolarHBondContact O-CB 3.41Å; A191-D194 PolarHBondContact O-N 3.44Å; R192-D194 PolarHBondContact O-N 2.84Å; D194-M196 VanDerWaalsContact C-N 3.29Å; D194-S198 VanDerWaalsContact O-CB 3.28Å; D194-S198 WeakPolarHBondContact O-CB 3.35Å; D194-S198 PolarHBondContact O-N 2.83Å; D194-S198 PolarHBondContact O-OG 2.9Å
195D98.9Very high98.6Very high2 Ų211.2 Ų11.21%0.0116%0.059CC..Hα-helixtrans-61-41166.6-72-30.2000110.5V116 Q120 I125 H126 R127 I129 S198 L199V116-D195 HydrophobicContact CG1-CB 3.79Å; Q120-D195 PolarHBondContact NE2-OD2 3.23Å; I125-D195 WeakPolarHBondContact CA-OD2 3.26Å; I125-D195 WeakPolarHBondContact CB-OD2 3.47Å; H126-D195 PolarHBondContact N-OD1 3.32Å; H126-D195 PolarHBondContact N-OD2 3.45Å; R127-D195 PolarHBondContact N-OD1 3.1Å; I129-D195 HydrophobicContact CG1-CB 3.92Å; D195-S198 PolarHBondContact O-N 2.97Å; D195-L199 PolarHBondContact O-N 1.9Å
196M98.8Very high98.6Very high0 Ų010 Ų100%05%0.053CC..Hα-helixtrans-71.7-45-178-61.3-60.2-71.700112.4I113 V116 R192 R193 D194 S198 L199 G200 Y251 M258 P264 Y266 L269I113-M196 HydrophobicContact CG1-CE 4.38Å; I113-M196 HydrophobicContact CG2-CE 4.11Å; V116-M196 HydrophobicContact CB-SD 4.16Å; V116-M196 HydrophobicContact CG1-SD 3.61Å; R192-M196 WeakPolarHBondContact O-CG 3.42Å; R192-M196 PolarHBondContact O-N 3.09Å; R193-M196 PolarHBondContact O-N 2.83Å; D194-M196 VanDerWaalsContact C-N 3.29Å; M196-S198 VanDerWaalsContact C-N 3.27Å; M196-S198 PolarHBondContact O-N 3.17Å; M196-L199 WeakPolarHBondContact O-CB 3.34Å; M196-L199 PolarHBondContact O-N 3.34Å; M196-L199 VanDerWaalsContact O-N 3.17Å; M196-G200 PolarHBondContact O-N 3.32Å; M196-Y251 HydrophobicContact CE-CE2 4.4Å; M196-Y251 WeakPolarHBondContact CE-OH 3.36Å; M196-Y251 WeakPolarHBondContact O-CE1 3.43Å; M196-Y251 PolarHBondContact O-OH 2.67Å; M196-Y251 VanDerWaalsContact O-OH 3.08Å; M196-M258 HydrophobicContact CB-CE 4.28Å; M196-P264 HydrophobicContact CG-CB 4.48Å; M196-P264 HydrophobicContact CG-CG 4.21Å; M196-Y266 HydrophobicContact CE-CD1 4.18Å; M196-Y266 HydrophobicContact SD-CD1 4.36Å; M196-Y266 HydrophobicContact SD-CE1 4.31Å; M196-L269 HydrophobicContact CE-CD1 3.48Å; M196-L269 VanDerWaalsContact CE-CD1 3.48Å
197E98.9Very high98.7Very high2 Ų25.7 Ų5.71%0.0093%0.03CC..Hα-helixtrans-59.2-41.3172.8-165.8-166.9134.300110.7S181 I182 R193 L199 G200 Y201 L252 C255 R256S181-E197 WeakPolarHBondContact CA-OE1 3.44Å; S181-E197 WeakPolarHBondContact CB-OE2 3.21Å; I182-E197 PolarHBondContact N-OE1 3.19Å; R193-E197 WeakPolarHBondContact O-CB 3.48Å; R193-E197 PolarHBondContact O-N 3.38Å; E197-L199 VanDerWaalsContact C-N 3.35Å; E197-L199 PolarHBondContact O-N 2.8Å; E197-G200 PolarHBondContact O-N 2.94Å; E197-G200 VanDerWaalsContact O-N 3.16Å; E197-Y201 HydrophobicContact CG-CD2 4.49Å; E197-Y201 HydrophobicContact CG-CE2 3.68Å; E197-Y201 VanDerWaalsContact O-CD2 3.28Å; E197-Y201 WeakPolarHBondContact O-CD2 3.49Å; E197-Y201 PolarHBondContact O-N 3.14Å; E197-Y201 VanDerWaalsContact O-N 3.15Å; E197-Y201 WeakPolarHBondContact OE1-CE2 3.31Å; E197-Y201 VanDerWaalsContact OE1-CZ 3.28Å; E197-Y201 PolarHBondContact OE1-OH 3.32Å; E197-L252 HydrophobicContact CG-CD2 4.46Å; E197-C255 HydrophobicContact CB-CB 4.11Å; E197-R256 HydrophobicContact CG-CG 4.42Å
198S98.9Very high98.7Very high10 Ų109 Ų97%0.074%0.04CC..Hα-helixtrans-62.3-40.3176.1-56.80000112.3Y179 D194 D195 M196 G200 Y201 V202Y179-S198 VanDerWaalsContact O-CA 3.3Å; Y179-S198 WeakPolarHBondContact O-CA 3.27Å; Y179-S198 WeakPolarHBondContact O-CB 3.48Å; Y179-S198 PolarHBondContact O-OG 3.17Å; D194-S198 VanDerWaalsContact O-CB 3.28Å; D194-S198 WeakPolarHBondContact O-CB 3.35Å; D194-S198 PolarHBondContact O-N 2.83Å; D194-S198 PolarHBondContact O-OG 2.9Å; D195-S198 PolarHBondContact O-N 2.97Å; M196-S198 VanDerWaalsContact C-N 3.27Å; M196-S198 PolarHBondContact O-N 3.17Å; S198-G200 VanDerWaalsContact C-N 3.34Å; S198-G200 PolarHBondContact O-N 3.25Å; S198-Y201 PolarHBondContact O-N 3.23Å; S198-V202 WeakPolarHBondContact O-CG2 3.27Å; S198-V202 PolarHBondContact O-N 3.17Å; S198-V202 VanDerWaalsContact O-N 3.08Å
199L98.9Very high98.7Very high0 Ų08.7 Ų8.70%04%0.042CC..Hα-helixtrans-63.3-38.7173.7-176.856.5000111.8T112 I113 V116 I129 F134 D195 M196 E197 Y201 V202 L203T112-L199 HydrophobicContact CG2-CD1 4.48Å; I113-L199 HydrophobicContact CG1-CD2 3.74Å; V116-L199 HydrophobicContact CG2-CD2 4.43Å; I129-L199 HydrophobicContact CG2-CB 3.99Å; I129-L199 HydrophobicContact CG2-CD1 4.35Å; F134-L199 HydrophobicContact CE2-CD1 4.38Å; F134-L199 HydrophobicContact CZ-CD1 4.45Å; D195-L199 PolarHBondContact O-N 1.9Å; M196-L199 WeakPolarHBondContact O-CB 3.34Å; M196-L199 PolarHBondContact O-N 3.34Å; M196-L199 VanDerWaalsContact O-N 3.17Å; E197-L199 VanDerWaalsContact C-N 3.35Å; E197-L199 PolarHBondContact O-N 2.8Å; L199-Y201 VanDerWaalsContact C-N 3.34Å; L199-Y201 PolarHBondContact O-N 2.93Å; L199-V202 HydrophobicContact CD1-CB 4.42Å; L199-V202 HydrophobicContact CD1-CG1 4.45Å; L199-V202 WeakPolarHBondContact O-CA 3.2Å; L199-V202 WeakPolarHBondContact O-CB 3.29Å; L199-V202 PolarHBondContact O-N 3.07Å; L199-L203 WeakPolarHBondContact O-CG 3.41Å; L199-L203 PolarHBondContact O-N 3.01Å
200G98.9Very high98.7Very high3 Ų311.2 Ų11.23%0.0316%0.061CC..Hα-helixtrans-58.6-42.617400000112.9M196 E197 S198 V202 L203 M204 Y251M196-G200 PolarHBondContact O-N 3.32Å; E197-G200 PolarHBondContact O-N 2.94Å; E197-G200 VanDerWaalsContact O-N 3.16Å; S198-G200 VanDerWaalsContact C-N 3.34Å; S198-G200 PolarHBondContact O-N 3.25Å; G200-V202 VanDerWaalsContact C-N 3.31Å; G200-V202 PolarHBondContact O-N 2.81Å; G200-L203 PolarHBondContact O-N 3.45Å; G200-M204 PolarHBondContact O-N 3.31Å; G200-Y251 VanDerWaalsContact CA-CE1 3.45Å
201Y98.9Very high98.7Very high0 Ų010.8 Ų10.80%06%0.059CC..Hα-helixtrans-67.3-29.9173-59.5-50.5000113.1Y179 E197 S198 L199 Y205 W213 L240 L252 R256Y179-Y201 VanDerWaalsContact O-CD2 3.28Å; Y179-Y201 WeakPolarHBondContact O-CD2 3.16Å; E197-Y201 HydrophobicContact CG-CD2 4.49Å; E197-Y201 HydrophobicContact CG-CE2 3.68Å; E197-Y201 VanDerWaalsContact O-CD2 3.28Å; E197-Y201 WeakPolarHBondContact O-CD2 3.49Å; E197-Y201 PolarHBondContact O-N 3.14Å; E197-Y201 VanDerWaalsContact O-N 3.15Å; E197-Y201 WeakPolarHBondContact OE1-CE2 3.31Å; E197-Y201 VanDerWaalsContact OE1-CZ 3.28Å; E197-Y201 PolarHBondContact OE1-OH 3.32Å; S198-Y201 PolarHBondContact O-N 3.23Å; L199-Y201 VanDerWaalsContact C-N 3.34Å; L199-Y201 PolarHBondContact O-N 2.93Å; Y201-Y205 VanDerWaalsContact O-CB 3.23Å; Y201-Y205 WeakPolarHBondContact O-CB 3.2Å; Y201-Y205 PolarHBondContact O-N 3.18Å; Y201-W213 AromaticContact CD1-CH2 3.56Å; Y201-W213 HydrophobicContact CD1-CH2 3.56Å; Y201-W213 AromaticContact CD1-CZ2 3.67Å; Y201-W213 HydrophobicContact CD1-CZ2 3.67Å; Y201-W213 AromaticContact CE1-CH2 3.68Å; Y201-W213 HydrophobicContact CE1-CH2 3.68Å; Y201-W213 HydrophobicContact CE1-CZ2 4.1Å; Y201-W213 HydrophobicContact CG-CH2 4.37Å; Y201-W213 HydrophobicContact CG-CZ2 4.02Å; Y201-L240 HydrophobicContact CD1-CD2 3.91Å; Y201-L240 HydrophobicContact CE1-CD2 3.91Å; Y201-L252 HydrophobicContact CD1-CD2 4.14Å; Y201-L252 HydrophobicContact CE1-CD2 3.98Å; Y201-R256 PolarHBondContact OH-NE 2.93Å; Y201-R256 PolarHBondContact OH-NH2 3.33Å
202V98.9Very high98.7Very high1 Ų113.1 Ų13.11%0.0067%0.073CC..Hα-helixtrans-68.5-43.4173.3166.70000111.6I129 P131 Y179 S198 L199 G200 Y205 F206I129-V202 HydrophobicContact CG2-CG2 4.49Å; P131-V202 HydrophobicContact CG-CG1 4.14Å; P131-V202 HydrophobicContact CG-CG2 4.44Å; Y179-V202 HydrophobicContact CD1-CG2 3.67Å; Y179-V202 HydrophobicContact CE1-CG2 4.07Å; Y179-V202 HydrophobicContact CG-CG2 3.96Å; S198-V202 WeakPolarHBondContact O-CG2 3.27Å; S198-V202 PolarHBondContact O-N 3.17Å; S198-V202 VanDerWaalsContact O-N 3.08Å; L199-V202 HydrophobicContact CD1-CB 4.42Å; L199-V202 HydrophobicContact CD1-CG1 4.45Å; L199-V202 WeakPolarHBondContact O-CA 3.2Å; L199-V202 WeakPolarHBondContact O-CB 3.29Å; L199-V202 PolarHBondContact O-N 3.07Å; G200-V202 VanDerWaalsContact C-N 3.31Å; G200-V202 PolarHBondContact O-N 2.81Å; V202-Y205 WeakPolarHBondContact O-CB 3.31Å; V202-Y205 PolarHBondContact O-N 3.42Å; V202-F206 HydrophobicContact CG1-CD2 4.04Å; V202-F206 HydrophobicContact CG1-CE2 3.39Å; V202-F206 HydrophobicContact CG1-CZ 3.8Å; V202-F206 VanDerWaalsContact O-CD2 3.27Å; V202-F206 WeakPolarHBondContact O-CD2 3.06Å; V202-F206 WeakPolarHBondContact O-CG 3.46Å; V202-F206 PolarHBondContact O-N 3.23Å; V202-F206 VanDerWaalsContact O-N 3.1Å
203L98.9Very high98.6Very high2 Ų212.7 Ų12.71%0.017%0.072CC..Hα-helixtrans-62.9-44.3175.3-62.3176.8000111.4V105 A109 L199 G200 Y205 F206 L207 M248 F273V105-L203 HydrophobicContact CG1-CB 4.18Å; V105-L203 HydrophobicContact CG1-CD2 3.86Å; A109-L203 HydrophobicContact CB-CD1 3.82Å; A109-L203 HydrophobicContact CB-CD2 3.86Å; L199-L203 WeakPolarHBondContact O-CG 3.41Å; L199-L203 PolarHBondContact O-N 3.01Å; G200-L203 PolarHBondContact O-N 3.45Å; L203-Y205 VanDerWaalsContact C-N 3.35Å; L203-Y205 PolarHBondContact O-N 3.15Å; L203-F206 PolarHBondContact O-N 3.3Å; L203-L207 PolarHBondContact O-N 3.23Å; L203-M248 HydrophobicContact CB-SD 4.42Å; L203-F273 HydrophobicContact CD1-CE2 3.73Å; L203-F273 HydrophobicContact CD1-CZ 3.85Å
204M98.8Very high98.6Very high1 Ų114 Ų141%0.0058%0.079CC..Hα-helixtrans-66.3-33.6175.7-71.9-51.3-56.200113.4G200 L207 R208 L211 L240 C241 Y244 M248 L252G200-M204 PolarHBondContact O-N 3.31Å; M204-L207 PolarHBondContact O-N 2.93Å; M204-L207 HydrophobicContact SD-CD1 4.12Å; M204-R208 HydrophobicContact CE-CG 3.97Å; M204-R208 VanDerWaalsContact O-CB 3.27Å; M204-R208 WeakPolarHBondContact O-CB 3.45Å; M204-R208 VanDerWaalsContact O-CG 3.28Å; M204-R208 WeakPolarHBondContact O-CG 3.38Å; M204-R208 PolarHBondContact O-N 3.43Å; M204-L211 HydrophobicContact CB-CD2 4.17Å; M204-L240 VanDerWaalsContact CE-O 3.29Å; M204-L240 WeakPolarHBondContact CE-O 3.19Å; M204-C241 HydrophobicContact CE-CB 4.4Å; M204-Y244 HydrophobicContact CE-CD2 3.88Å; M204-Y244 HydrophobicContact CE-CE2 4.5Å; M204-Y244 HydrophobicContact CE-CG 4.12Å; M204-M248 HydrophobicContact SD-CB 3.52Å; M204-M248 VanDerWaalsContact SD-CB 3.52Å; M204-M248 HydrophobicContact SD-CG 3.76Å; M204-M248 HydrophobicContact SD-SD 4.16Å; M204-L252 HydrophobicContact CG-CD1 4.09Å
205Y98.8Very high98.4Very high1 Ų117.4 Ų17.40%0.00412%0.115CC..Hα-helixtrans-61.3-45.1172.6170.3-105.5000111.7E90 F93 R98 P131 R178 Y179 Y201 V202 L203 L207 R208 G209 L211E90-Y205 PolarHBondContact OE1-OH 2.96Å; E90-Y205 WeakPolarHBondContact OE2-CE1 3.34Å; E90-Y205 VanDerWaalsContact OE2-CZ 3.31Å; E90-Y205 PolarHBondContact OE2-OH 3.1Å; F93-Y205 HydrophobicContact CD1-CD1 4.46Å; F93-Y205 AromaticContact CD1-CE1 3.68Å; F93-Y205 HydrophobicContact CD1-CE1 3.68Å; F93-Y205 AromaticContact CD1-CZ 3.99Å; F93-Y205 AromaticContact CE1-CD1 4Å; F93-Y205 HydrophobicContact CE1-CD1 4Å; F93-Y205 AromaticContact CE1-CE1 3.48Å; F93-Y205 HydrophobicContact CE1-CE1 3.48Å; F93-Y205 VanDerWaalsContact CE1-CE1 3.48Å; F93-Y205 HydrophobicContact CE1-CE2 4.2Å; F93-Y205 AromaticContact CE1-CZ 3.62Å; F93-Y205 HydrophobicContact CZ-CD1 4.48Å; F93-Y205 HydrophobicContact CZ-CE1 4.36Å; F93-Y205 WeakPolarHBondContact CZ-O 3.48Å; R98-Y205 PolarHBondContact NH2-OH 3.21Å; P131-Y205 HydrophobicContact CG-CD1 3.93Å; P131-Y205 HydrophobicContact CG-CE1 3.82Å; R178-Y205 PolarHBondContact NH1-OH 3.27Å; Y179-Y205 HydrophobicContact CE1-CD1 4.29Å; Y179-Y205 HydrophobicContact CE1-CD2 4.45Å; Y179-Y205 HydrophobicContact CE1-CG 4.11Å; Y179-Y205 WeakPolarHBondContact OH-CE1 3.46Å; Y201-Y205 VanDerWaalsContact O-CB 3.23Å; Y201-Y205 WeakPolarHBondContact O-CB 3.2Å; Y201-Y205 PolarHBondContact O-N 3.18Å; V202-Y205 WeakPolarHBondContact O-CB 3.31Å; V202-Y205 PolarHBondContact O-N 3.42Å; L203-Y205 VanDerWaalsContact C-N 3.35Å; L203-Y205 PolarHBondContact O-N 3.15Å; Y205-L207 PolarHBondContact O-N 3.45Å; Y205-R208 PolarHBondContact O-N 3Å; Y205-G209 PolarHBondContact O-N 2.72Å; Y205-L211 HydrophobicContact CD2-CD1 4.41Å; Y205-L211 HydrophobicContact CD2-CG 4.28Å
206F98.8Very high98.2Very high1 Ų119.7 Ų19.70%0.00413%0.127CC..Hα-helixtrans-64.4-35.7178.2-67.6-41.2000113.9L89 F93 F100 V105 L108 P131 V202 L203L89-F206 HydrophobicContact CB-CE1 4.18Å; L89-F206 HydrophobicContact CB-CZ 3.65Å; L89-F206 HydrophobicContact CD1-CE2 4.1Å; L89-F206 HydrophobicContact CD1-CZ 3.91Å; L89-F206 HydrophobicContact CG-CZ 4.43Å; F93-F206 HydrophobicContact CB-CD1 4.41Å; F93-F206 HydrophobicContact CB-CE1 4.33Å; F93-F206 HydrophobicContact CD1-CD1 4.4Å; F93-F206 AromaticContact CD2-CD1 3.81Å; F93-F206 HydrophobicContact CD2-CD1 3.81Å; F93-F206 HydrophobicContact CE2-CB 4.3Å; F93-F206 AromaticContact CE2-CD1 3.99Å; F93-F206 HydrophobicContact CE2-CD1 3.99Å; F93-F206 VanDerWaalsContact CE2-O 3.3Å; F93-F206 WeakPolarHBondContact CE2-O 3.46Å; F93-F206 HydrophobicContact CG-CD1 4.01Å; F93-F206 HydrophobicContact CG-CE1 4.34Å; F93-F206 HydrophobicContact CZ-CD1 4.32Å; F100-F206 HydrophobicContact CB-CB 4.49Å; F100-F206 HydrophobicContact CD2-CB 3.77Å; F100-F206 AromaticContact CD2-CD1 3.74Å; F100-F206 HydrophobicContact CD2-CD1 3.74Å; F100-F206 HydrophobicContact CD2-CD2 4.29Å; F100-F206 HydrophobicContact CD2-CE1 4.39Å; F100-F206 AromaticContact CD2-CG 3.69Å; F100-F206 HydrophobicContact CD2-CG 3.69Å; F100-F206 AromaticContact CE2-CD1 3.61Å; F100-F206 HydrophobicContact CE2-CD1 3.61Å; F100-F206 HydrophobicContact CE2-CD2 4.44Å; F100-F206 AromaticContact CE2-CE1 3.82Å; F100-F206 HydrophobicContact CE2-CE1 3.82Å; F100-F206 AromaticContact CE2-CG 3.97Å; F100-F206 HydrophobicContact CE2-CG 3.97Å; F100-F206 HydrophobicContact CE2-CZ 4.33Å; F100-F206 PolarHBondContact N-O 3.32Å; F100-F206 VanDerWaalsContact N-O 3.11Å; V105-F206 HydrophobicContact CG2-CB 3.81Å; L108-F206 HydrophobicContact CD1-CE2 4.41Å; P131-F206 HydrophobicContact CB-CE1 3.84Å; P131-F206 HydrophobicContact CB-CZ 3.74Å; P131-F206 HydrophobicContact CG-CE1 3.92Å; P131-F206 HydrophobicContact CG-CZ 3.9Å; V202-F206 HydrophobicContact CG1-CD2 4.04Å; V202-F206 HydrophobicContact CG1-CE2 3.39Å; V202-F206 HydrophobicContact CG1-CZ 3.8Å; V202-F206 VanDerWaalsContact O-CD2 3.27Å; V202-F206 WeakPolarHBondContact O-CD2 3.06Å; V202-F206 WeakPolarHBondContact O-CG 3.46Å; V202-F206 PolarHBondContact O-N 3.23Å; V202-F206 VanDerWaalsContact O-N 3.1Å; L203-F206 PolarHBondContact O-N 3.3Å
207L98.5Very high97.9Very high7 Ų728.2 Ų28.24%0.03716%0.164CC..Hα-helixtrans-73.7-40176.9-70.3171.2000112.8L102 V105 L203 M204 Y205 Y244 M248L102-L207 HydrophobicContact CD1-CD2 4.19Å; V105-L207 HydrophobicContact CB-CD2 4.02Å; V105-L207 HydrophobicContact CB-CG 4.34Å; V105-L207 HydrophobicContact CG1-CD1 4.37Å; V105-L207 HydrophobicContact CG1-CD2 4.26Å; V105-L207 HydrophobicContact CG1-CG 4.06Å; V105-L207 HydrophobicContact CG2-CD2 3.72Å; V105-L207 HydrophobicContact CG2-CG 4.02Å; L203-L207 PolarHBondContact O-N 3.23Å; M204-L207 PolarHBondContact O-N 2.93Å; M204-L207 HydrophobicContact SD-CD1 4.12Å; Y205-L207 PolarHBondContact O-N 3.45Å; L207-Y244 HydrophobicContact CB-CD1 3.74Å; L207-Y244 HydrophobicContact CB-CE1 3.67Å; L207-Y244 HydrophobicContact CD1-CD1 4.05Å; L207-Y244 HydrophobicContact CD1-CG 4.5Å; L207-Y244 HydrophobicContact CD2-CD1 4.41Å; L207-Y244 HydrophobicContact CG-CD1 4.29Å; L207-M248 HydrophobicContact CD1-CE 3.87Å; L207-M248 HydrophobicContact CD1-CG 4Å; L207-M248 HydrophobicContact CD1-SD 3.85Å
208R98.1Very high97.7Very high79 Ų7929.9 Ų29.930%0.29818%0.178SC..Hα-helixtrans-92.6-13.3-171.7-65.2-17768.898.611.6115.3M204 Y205 S210 L240 Y244M204-R208 HydrophobicContact CE-CG 3.97Å; M204-R208 VanDerWaalsContact O-CB 3.27Å; M204-R208 WeakPolarHBondContact O-CB 3.45Å; M204-R208 VanDerWaalsContact O-CG 3.28Å; M204-R208 WeakPolarHBondContact O-CG 3.38Å; M204-R208 PolarHBondContact O-N 3.43Å; Y205-R208 PolarHBondContact O-N 3Å; R208-S210 VanDerWaalsContact CB-O 3.26Å; R208-S210 WeakPolarHBondContact CB-O 3.26Å; R208-S210 PolarHBondContact O-N 3.23Å; R208-L240 PolarHBondContact NH1-O 3.47Å; R208-Y244 HydrophobicContact CG-CD2 4.34Å; R208-Y244 HydrophobicContact CG-CE1 4.48Å; R208-Y244 HydrophobicContact CG-CE2 3.6Å
209G98.2Very high97.5Very high15 Ų1532.8 Ų32.816%0.15521%0.209CC..SBendtrans77-30.3-170.900000114.8R98 Y205R98-G209 PolarHBondContact NH2-O 3.28Å; R98-G209 VanDerWaalsContact NH2-O 3.14Å; R98-G209 WeakPolarHBondContact O-CA 3.32Å; Y205-G209 PolarHBondContact O-N 2.72Å
210S98.1Very high97.4Very high61 Ų6136.1 Ų36.143%0.42723%0.23SC..SBendtrans-155.6156.3173.464.80000112.5R208R208-S210 VanDerWaalsContact CB-O 3.26Å; R208-S210 WeakPolarHBondContact CB-O 3.26Å; R208-S210 PolarHBondContact O-N 3.23Å
211L98.5Very high97Very high3 Ų343 Ų432%0.01626%0.259CS..  trans-94.7146.1173.3-66.7163.6000111R178 Y179 M204 Y205 W213 Q214 L240R178-L211 HydrophobicContact CG-CD1 4.17Å; Y179-L211 HydrophobicContact CD1-CD1 4.11Å; Y179-L211 HydrophobicContact CE1-CD1 4.08Å; M204-L211 HydrophobicContact CB-CD2 4.17Å; Y205-L211 HydrophobicContact CD2-CD1 4.41Å; Y205-L211 HydrophobicContact CD2-CG 4.28Å; L211-W213 HydrophobicContact CB-CD2 4.15Å; L211-W213 HydrophobicContact CB-CZ2 3.87Å; L211-W213 HydrophobicContact CD1-CZ2 3.77Å; L211-W213 HydrophobicContact CD2-CH2 4.14Å; L211-W213 HydrophobicContact CD2-CZ2 3.84Å; L211-W213 HydrophobicContact CG-CZ2 4.03Å; L211-W213 PolarHBondContact O-N 2.81Å; L211-Q214 WeakPolarHBondContact O-CB 3.25Å; L211-Q214 PolarHBondContact O-N 3.27Å; L211-L240 HydrophobicContact CD2-CD1 4.18Å
212P98.1Very high96.7Very high48 Ų4851.8 Ų51.831%0.31229%0.292SS..THydrogen-bonded Turntrans-60.8-8.2-174.1-26.135.6000117.3L240P212-L240 HydrophobicContact CG-CD1 3.93Å
213W98.3Very high96.5Very high3 Ų355.7 Ų55.71%0.01131%0.31CS..THydrogen-bonded Turntrans-106.812.8176.650.581.4000113.3R178 Y201 L211 L216 I228 K231 K232 L240R178-W213 PolarHBondContact O-NE1 3.08Å; Y201-W213 AromaticContact CD1-CH2 3.56Å; Y201-W213 HydrophobicContact CD1-CH2 3.56Å; Y201-W213 AromaticContact CD1-CZ2 3.67Å; Y201-W213 HydrophobicContact CD1-CZ2 3.67Å; Y201-W213 AromaticContact CE1-CH2 3.68Å; Y201-W213 HydrophobicContact CE1-CH2 3.68Å; Y201-W213 HydrophobicContact CE1-CZ2 4.1Å; Y201-W213 HydrophobicContact CG-CH2 4.37Å; Y201-W213 HydrophobicContact CG-CZ2 4.02Å; L211-W213 HydrophobicContact CB-CD2 4.15Å; L211-W213 HydrophobicContact CB-CZ2 3.87Å; L211-W213 HydrophobicContact CD1-CZ2 3.77Å; L211-W213 HydrophobicContact CD2-CH2 4.14Å; L211-W213 HydrophobicContact CD2-CZ2 3.84Å; L211-W213 HydrophobicContact CG-CZ2 4.03Å; L211-W213 PolarHBondContact O-N 2.81Å; W213-L216 HydrophobicContact CB-CD1 4.13Å; W213-I228 HydrophobicContact CB-CG1 4.47Å; W213-I228 HydrophobicContact CB-CG2 4.33Å; W213-I228 HydrophobicContact CG-CG2 4.24Å; W213-K231 HydrophobicContact CB-CB 4.08Å; W213-K231 HydrophobicContact CB-CG 4.03Å; W213-K232 HydrophobicContact CD2-CD 4.4Å; W213-K232 HydrophobicContact CD2-CG 3.61Å; W213-K232 HydrophobicContact CE3-CG 3.66Å; W213-K232 HydrophobicContact CG-CG 4.13Å; W213-K232 HydrophobicContact CH2-CG 4.14Å; W213-K232 HydrophobicContact CZ2-CD 4.4Å; W213-K232 HydrophobicContact CZ2-CG 4.1Å; W213-K232 HydrophobicContact CZ3-CG 3.94Å; W213-K232 VanDerWaalsContact NE1-CE 3.26Å; W213-L240 HydrophobicContact CH2-CD1 4.04Å; W213-L240 HydrophobicContact CH2-CD2 3.78Å; W213-L240 HydrophobicContact CZ3-CD1 4.08Å; W213-L240 HydrophobicContact CZ3-CD2 4.25Å
214Q97.1Very high96.4Very high53 Ų5359.1 Ų59.125%0.24833%0.325CS..SBendtrans-78.5165.6166.2-73.6178.6-120.500111.4R178 L211 L216R178-Q214 HydrophobicContact CG-CG 4.08Å; L211-Q214 WeakPolarHBondContact O-CB 3.25Å; L211-Q214 PolarHBondContact O-N 3.27Å; Q214-L216 PolarHBondContact O-N 3.19Å
215G94.5Very high96.2Very high74 Ų7462.5 Ų62.576%0.76334%0.338SS*.SBendtrans70.9-13.6176.700000116.6K217G215-K217 PolarHBondContact O-N 3.27Å
216L95.1Very high96Very high49 Ų4965.7 Ų65.726%0.25735%0.353SS..  trans-53.6119.4-175.4-57.6-178000112.5W213 Q214 K224 R227 I228 K231W213-L216 HydrophobicContact CB-CD1 4.13Å; Q214-L216 PolarHBondContact O-N 3.19Å; L216-K224 WeakPolarHBondContact O-CE 3.36Å; L216-R227 HydrophobicContact CD1-CB 4.21Å; L216-R227 WeakPolarHBondContact CD1-O 3.41Å; L216-I228 HydrophobicContact CD1-CG1 4.13Å; L216-K231 HydrophobicContact CD1-CB 4.13Å
217K93.9Very high95.9Very high180 Ų18071.3 Ų71.378%0.78337%0.374SS*.  trans-73.2143.6173.9-63.1-179.4-179.6178.80110G215 R227G215-K217 PolarHBondContact O-N 3.27Å; K217-R227 WeakPolarHBondContact O-CD 3.43Å; K217-R227 PolarHBondContact O-NH1 3.02Å
218A93.9Very high95.9Very high37 Ų3771.6 Ų71.631%0.30638%0.376SS..  trans-159.8155173.700000109.7Q223 K224A218-Q223 HydrophobicContact CB-CB 3.84Å; A218-K224 HydrophobicContact CB-CB 3.82Å; A218-K224 HydrophobicContact CB-CG 4.41Å
219G95.6Very high95.9Very high70 Ų7068.5 Ų68.572%0.72237%0.366SS*.SBendtrans-76.7-30.1177.900000113.4
220T95.3Very high95.9Very high71 Ų7172.1 Ų72.144%0.43638%0.379SS..SBendtrans-129.3160.2178.375.40000112.8R222 Q223 K224T220-R222 PolarHBondContact O-N 3.12Å; T220-R222 PolarHBondContact OG1-N 3.1Å; T220-Q223 VanDerWaalsContact N-OE1 3.14Å; T220-Q223 PolarHBondContact O-N 3.17Å; T220-Q223 WeakPolarHBondContact OG1-CG 3.29Å; T220-Q223 PolarHBondContact OG1-N 3.48Å; T220-Q223 VanDerWaalsContact OG1-N 3.12Å; T220-K224 PolarHBondContact O-N 2.97Å
221K91.2Very high95.9Very high148 Ų14872.9 Ų72.964%0.64338%0.375SS*.Hα-helixtrans-57.4-35.6173.1-175176.7178.6179.80112.2K224 Y225K221-K224 PolarHBondContact O-N 3.03Å; K221-Y225 HydrophobicContact CD-CE2 4.48Å; K221-Y225 WeakPolarHBondContact CE-OH 3.37Å; K221-Y225 HydrophobicContact CG-CE1 4.42Å; K221-Y225 HydrophobicContact CG-CE2 4.03Å; K221-Y225 PolarHBondContact O-N 2.76Å
222R92.5Very high95.9Very high183 Ų18372.7 Ų72.769%0.69137%0.374SS*.Hα-helixtrans-65.3-53.8175.9177.9178.7164.5162.83.3111.1T220 K224 Y225 E226T220-R222 PolarHBondContact O-N 3.12Å; T220-R222 PolarHBondContact OG1-N 3.1Å; R222-K224 PolarHBondContact O-N 3.33Å; R222-Y225 WeakPolarHBondContact O-CA 3.29Å; R222-Y225 WeakPolarHBondContact O-CB 3.33Å; R222-Y225 PolarHBondContact O-N 2.9Å; R222-E226 IonicContact CZ-OE1 2.64Å; R222-E226 VanDerWaalsContact CZ-OE1 3.3Å; R222-E226 IonicContact NE-OE1 2.73Å; R222-E226 PolarHBondContact NE-OE1 2.84Å; R222-E226 IonicContact NE-OE2 3.16Å; R222-E226 IonicContact NH2-OE1 3.47Å; R222-E226 PolarHBondContact NH2-OE1 3.5Å; R222-E226 PolarHBondContact O-N 3.4Å
223Q95.5Very high95.8Very high83 Ų8374.9 Ų74.939%0.38838%0.381SS..Hα-helixtrans-57.3-32.7175-71.9170.9-10.300112.7A218 T220 E226 R227A218-Q223 HydrophobicContact CB-CB 3.84Å; T220-Q223 VanDerWaalsContact N-OE1 3.14Å; T220-Q223 PolarHBondContact O-N 3.17Å; T220-Q223 WeakPolarHBondContact OG1-CG 3.29Å; T220-Q223 PolarHBondContact OG1-N 3.48Å; T220-Q223 VanDerWaalsContact OG1-N 3.12Å; Q223-E226 VanDerWaalsContact CA-OE2 3.26Å; Q223-E226 WeakPolarHBondContact CA-OE2 3.19Å; Q223-E226 PolarHBondContact N-OE2 3.09Å; Q223-R227 WeakPolarHBondContact O-CB 3.5Å; Q223-R227 WeakPolarHBondContact O-CG 3.47Å; Q223-R227 PolarHBondContact O-N 2.99Å
224K95.4Very high95.8Very high75 Ų7581 Ų8133%0.32641%0.41SS..Hα-helixtrans-67.2-36.9174.9-163.8172.2-174.7174.10112.2L216 A218 T220 K221 R222 I228L216-K224 WeakPolarHBondContact O-CE 3.36Å; A218-K224 HydrophobicContact CB-CB 3.82Å; A218-K224 HydrophobicContact CB-CG 4.41Å; T220-K224 PolarHBondContact O-N 2.97Å; K221-K224 PolarHBondContact O-N 3.03Å; R222-K224 PolarHBondContact O-N 3.33Å; K224-I228 HydrophobicContact CG-CD1 4.32Å; K224-I228 WeakPolarHBondContact O-CD1 3.41Å; K224-I228 WeakPolarHBondContact O-CG1 3.34Å; K224-I228 PolarHBondContact O-N 3.45Å; K224-I228 VanDerWaalsContact O-N 3.15Å
225Y94.1Very high95.9Very high71 Ų7178.8 Ų78.828%0.27840%0.4SS..Hα-helixtrans-73.6-41.5175.9-64.7-17.8000111.6L173 A177 K221 R222 R227 I228 S229L173-Y225 HydrophobicContact CD2-CD1 4.17Å; L173-Y225 HydrophobicContact CD2-CD2 3.45Å; L173-Y225 VanDerWaalsContact CD2-CD2 3.45Å; L173-Y225 HydrophobicContact CD2-CE1 4.37Å; L173-Y225 HydrophobicContact CD2-CE2 3.68Å; L173-Y225 HydrophobicContact CD2-CG 3.7Å; A177-Y225 HydrophobicContact CB-CD1 3.48Å; A177-Y225 VanDerWaalsContact CB-CD1 3.48Å; A177-Y225 HydrophobicContact CB-CE1 3.42Å; A177-Y225 VanDerWaalsContact CB-CE1 3.42Å; A177-Y225 HydrophobicContact CB-CG 4.28Å; K221-Y225 HydrophobicContact CD-CE2 4.48Å; K221-Y225 WeakPolarHBondContact CE-OH 3.37Å; K221-Y225 HydrophobicContact CG-CE1 4.42Å; K221-Y225 HydrophobicContact CG-CE2 4.03Å; K221-Y225 PolarHBondContact O-N 2.76Å; R222-Y225 WeakPolarHBondContact O-CA 3.29Å; R222-Y225 WeakPolarHBondContact O-CB 3.33Å; R222-Y225 PolarHBondContact O-N 2.9Å; Y225-R227 PolarHBondContact O-N 2.76Å; Y225-I228 PolarHBondContact O-N 3.31Å; Y225-I228 VanDerWaalsContact O-N 3.17Å; Y225-S229 PolarHBondContact O-N 3.01Å
226E95.5Very high96Very high68 Ų6878.3 Ų78.332%0.31838%0.384SS..Hα-helixtrans-56.4-49.8173.1-69.7160.4158.200110.6R222 Q223 I228 S229 E230R222-E226 IonicContact CZ-OE1 2.64Å; R222-E226 VanDerWaalsContact CZ-OE1 3.3Å; R222-E226 IonicContact NE-OE1 2.73Å; R222-E226 PolarHBondContact NE-OE1 2.84Å; R222-E226 IonicContact NE-OE2 3.16Å; R222-E226 IonicContact NH2-OE1 3.47Å; R222-E226 PolarHBondContact NH2-OE1 3.5Å; R222-E226 PolarHBondContact O-N 3.4Å; Q223-E226 VanDerWaalsContact CA-OE2 3.26Å; Q223-E226 WeakPolarHBondContact CA-OE2 3.19Å; Q223-E226 PolarHBondContact N-OE2 3.09Å; E226-I228 VanDerWaalsContact C-N 3.34Å; E226-I228 PolarHBondContact O-N 3.15Å; E226-S229 VanDerWaalsContact O-CB 3.29Å; E226-S229 WeakPolarHBondContact O-CB 3.24Å; E226-S229 PolarHBondContact O-N 3.44Å; E226-S229 VanDerWaalsContact O-N 3.1Å; E226-E230 WeakPolarHBondContact O-CG 3.36Å; E226-E230 PolarHBondContact O-N 3.49Å
227R97.4Very high96.2Very high119 Ų11976.1 Ų76.145%0.44937%0.372SS..Hα-helixtrans-63.5-31.2175.2-72.1176.4178.5-159.2-8.4114.9L216 K217 Q223 Y225 E230 K231L216-R227 HydrophobicContact CD1-CB 4.21Å; L216-R227 WeakPolarHBondContact CD1-O 3.41Å; K217-R227 WeakPolarHBondContact O-CD 3.43Å; K217-R227 PolarHBondContact O-NH1 3.02Å; Q223-R227 WeakPolarHBondContact O-CB 3.5Å; Q223-R227 WeakPolarHBondContact O-CG 3.47Å; Q223-R227 PolarHBondContact O-N 2.99Å; Y225-R227 PolarHBondContact O-N 2.76Å; R227-E230 WeakPolarHBondContact CA-OE2 3.27Å; R227-K231 WeakPolarHBondContact O-CB 3.35Å; R227-K231 PolarHBondContact O-N 3.41Å; R227-K231 VanDerWaalsContact O-N 3.09Å
228I97.9Very high96.4Very high13 Ų1372.5 Ų72.57%0.06736%0.358CS..Hα-helixtrans-71.2-39.6173.3-72.5165.8000110.5A177 W213 L216 K224 Y225 E226 K232A177-I228 HydrophobicContact CB-CD1 4.35Å; W213-I228 HydrophobicContact CB-CG1 4.47Å; W213-I228 HydrophobicContact CB-CG2 4.33Å; W213-I228 HydrophobicContact CG-CG2 4.24Å; L216-I228 HydrophobicContact CD1-CG1 4.13Å; K224-I228 HydrophobicContact CG-CD1 4.32Å; K224-I228 WeakPolarHBondContact O-CD1 3.41Å; K224-I228 WeakPolarHBondContact O-CG1 3.34Å; K224-I228 PolarHBondContact O-N 3.45Å; K224-I228 VanDerWaalsContact O-N 3.15Å; Y225-I228 PolarHBondContact O-N 3.31Å; Y225-I228 VanDerWaalsContact O-N 3.17Å; E226-I228 VanDerWaalsContact C-N 3.34Å; E226-I228 PolarHBondContact O-N 3.15Å; I228-K232 HydrophobicContact CG2-CD 4.26Å; I228-K232 WeakPolarHBondContact O-CB 3.31Å; I228-K232 WeakPolarHBondContact O-CG 3.32Å; I228-K232 PolarHBondContact O-N 3.3Å
229S97.4Very high96.6Very high14 Ų1474.4 Ų74.410%0.09837%0.365CS..Hα-helixtrans-61.3-54.3174.3-176.40000111.1H185 Y225 E226 K231 K232 M233H185-S229 WeakPolarHBondContact CB-OG 3.47Å; Y225-S229 PolarHBondContact O-N 3.01Å; E226-S229 VanDerWaalsContact O-CB 3.29Å; E226-S229 WeakPolarHBondContact O-CB 3.24Å; E226-S229 PolarHBondContact O-N 3.44Å; E226-S229 VanDerWaalsContact O-N 3.1Å; S229-K231 VanDerWaalsContact C-N 3.35Å; S229-K231 PolarHBondContact O-N 3.38Å; S229-K232 WeakPolarHBondContact O-CB 3.38Å; S229-K232 PolarHBondContact O-N 3.1Å; S229-K232 VanDerWaalsContact O-N 3.1Å; S229-M233 WeakPolarHBondContact O-CG 3.29Å; S229-M233 PolarHBondContact O-N 2.69Å; S229-M233 WeakPolarHBondContact OG-CE 3.27Å
230E97.8Very high96.7Very high92 Ų9271 Ų7143%0.4333%0.331SS..Hα-helixtrans-49.4-54.1175.4-71159.3-16400110.9E226 R227 K232 M233 Q234E226-E230 WeakPolarHBondContact O-CG 3.36Å; E226-E230 PolarHBondContact O-N 3.49Å; R227-E230 WeakPolarHBondContact CA-OE2 3.27Å; E230-K232 VanDerWaalsContact C-N 3.32Å; E230-K232 PolarHBondContact O-N 3.01Å; E230-M233 PolarHBondContact O-N 2.72Å; E230-Q234 WeakPolarHBondContact O-CB 3.47Å; E230-Q234 WeakPolarHBondContact O-CG 3.29Å; E230-Q234 PolarHBondContact O-N 2.68Å
231K98.3Very high96.9Very high76 Ų7668 Ų6833%0.3331%0.313SS..Hα-helixtrans-68.8-27.5-177.2-172.154.9-178.3168.70113.3W213 L216 R227 S229 T235W213-K231 HydrophobicContact CB-CB 4.08Å; W213-K231 HydrophobicContact CB-CG 4.03Å; L216-K231 HydrophobicContact CD1-CB 4.13Å; R227-K231 WeakPolarHBondContact O-CB 3.35Å; R227-K231 PolarHBondContact O-N 3.41Å; R227-K231 VanDerWaalsContact O-N 3.09Å; S229-K231 VanDerWaalsContact C-N 3.35Å; S229-K231 PolarHBondContact O-N 3.38Å; K231-T235 WeakPolarHBondContact O-CB 3.3Å; K231-T235 PolarHBondContact O-N 2.75Å; K231-T235 PolarHBondContact O-OG1 2.93Å
232K98.4Very high97.2Very high0 Ų067.5 Ų67.50%031%0.313CS..Hα-helixtrans-69.2-42.3171.6-84.6-179.2168.3-1790112.7A177 R178 A180 I182 W213 I228 S229 E230 T235A177-K232 PolarHBondContact O-NZ 3.45Å; R178-K232 WeakPolarHBondContact O-CE 3.35Å; R178-K232 PolarHBondContact O-NZ 2.76Å; A180-K232 PolarHBondContact O-NZ 3.46Å; I182-K232 HydrophobicContact CG1-CB 4.22Å; W213-K232 HydrophobicContact CD2-CD 4.4Å; W213-K232 HydrophobicContact CD2-CG 3.61Å; W213-K232 HydrophobicContact CE3-CG 3.66Å; W213-K232 HydrophobicContact CG-CG 4.13Å; W213-K232 HydrophobicContact CH2-CG 4.14Å; W213-K232 HydrophobicContact CZ2-CD 4.4Å; W213-K232 HydrophobicContact CZ2-CG 4.1Å; W213-K232 HydrophobicContact CZ3-CG 3.94Å; W213-K232 VanDerWaalsContact NE1-CE 3.26Å; I228-K232 HydrophobicContact CG2-CD 4.26Å; I228-K232 WeakPolarHBondContact O-CB 3.31Å; I228-K232 WeakPolarHBondContact O-CG 3.32Å; I228-K232 PolarHBondContact O-N 3.3Å; S229-K232 WeakPolarHBondContact O-CB 3.38Å; S229-K232 PolarHBondContact O-N 3.1Å; S229-K232 VanDerWaalsContact O-N 3.1Å; E230-K232 VanDerWaalsContact C-N 3.32Å; E230-K232 PolarHBondContact O-N 3.01Å; K232-T235 PolarHBondContact O-N 3.3Å
233M97.4Very high97.5Very high93 Ų9362.6 Ų62.646%0.45832%0.319SS..Hα-helixtrans-71.8-36.1177.7-64.9-176.6-65.100111.8I182 L186 S229 E230 T235I182-M233 HydrophobicContact CD1-CG 4.25Å; I182-M233 HydrophobicContact CG1-CG 4.49Å; I182-M233 HydrophobicContact CG2-CG 3.95Å; I182-M233 HydrophobicContact CG2-SD 4.31Å; L186-M233 HydrophobicContact CD2-SD 3.99Å; S229-M233 WeakPolarHBondContact O-CG 3.29Å; S229-M233 PolarHBondContact O-N 2.69Å; S229-M233 WeakPolarHBondContact OG-CE 3.27Å; E230-M233 PolarHBondContact O-N 2.72Å; M233-T235 VanDerWaalsContact C-N 3.26Å; M233-T235 PolarHBondContact O-N 3.35Å
234Q97.9Very high97.6Very high132 Ų13261.6 Ų61.662%0.61731%0.312SS*.THydrogen-bonded Turntrans-78.32.1176.2-67.3169.31.300114.6E230E230-Q234 WeakPolarHBondContact O-CB 3.47Å; E230-Q234 WeakPolarHBondContact O-CG 3.29Å; E230-Q234 PolarHBondContact O-N 2.68Å
235T98.4Very high97.7Very high6 Ų659.5 Ų59.54%0.03731%0.306CS..SBendtrans-115.3103.9177.4-540000109.2K231 K232 M233 V239 L240K231-T235 WeakPolarHBondContact O-CB 3.3Å; K231-T235 PolarHBondContact O-N 2.75Å; K231-T235 PolarHBondContact O-OG1 2.93Å; K232-T235 PolarHBondContact O-N 3.3Å; M233-T235 VanDerWaalsContact C-N 3.26Å; M233-T235 PolarHBondContact O-N 3.35Å; T235-V239 HydrophobicContact CG2-CG1 4.4Å; T235-L240 HydrophobicContact CG2-CB 4.15Å
236P98.1Very high97.9Very high65 Ų6560.8 Ų60.842%0.42232%0.321SS..  trans-54.2153.3171.3-25.434.5000111.9E238 V239 L240P236-E238 PolarHBondContact O-N 3.14Å; P236-V239 HydrophobicContact CB-CB 4.35Å; P236-V239 HydrophobicContact CB-CG2 4.06Å; P236-V239 HydrophobicContact CG-CG2 4.05Å; P236-V239 PolarHBondContact O-N 2.93Å; P236-L240 PolarHBondContact O-N 2.94Å
237V98.5Very high98.1Very high2 Ų258.5 Ų58.51%0.01231%0.31CS..Hα-helixtrans-65.2-34.1-178.7171.90000110.5L240 C241 A249 L252 N253 R256V237-L240 WeakPolarHBondContact O-CB 3.49Å; V237-L240 PolarHBondContact O-N 3.17Å; V237-C241 WeakPolarHBondContact O-CB 3.38Å; V237-C241 PolarHBondContact O-N 2.84Å; V237-C241 PolarHBondContact O-SG 2.92Å; V237-A249 HydrophobicContact CG1-CB 3.89Å; V237-L252 HydrophobicContact CG1-CB 3.57Å; V237-L252 HydrophobicContact CG1-CD1 4.17Å; V237-L252 HydrophobicContact CG2-CB 4.22Å; V237-N253 WeakPolarHBondContact CB-OD1 3.4Å; V237-N253 VanDerWaalsContact CG2-OD1 3.23Å; V237-N253 WeakPolarHBondContact CG2-OD1 3.36Å; V237-R256 VanDerWaalsContact CG2-NH1 3.35Å
238E98Very high98.1Very high105 Ų10553 Ų5349%0.49129%0.29SS..Hα-helixtrans-65.3-44.5179.7-6062.6-134.700110P236 C241 E242 N253P236-E238 PolarHBondContact O-N 3.14Å; E238-C241 CarbonylContact O-C 3.51Å; E238-C241 PolarHBondContact O-N 3.32Å; E238-E242 PolarHBondContact O-N 3.22Å; E238-N253 PolarHBondContact OE1-ND2 3.47Å
239V98.3Very high98.2Very high76 Ų7653 Ų5346%0.46129%0.291SS..Hα-helixtrans-70-33.61751780000111.6T235 P236 C241T235-V239 HydrophobicContact CG2-CG1 4.4Å; P236-V239 HydrophobicContact CB-CB 4.35Å; P236-V239 HydrophobicContact CB-CG2 4.06Å; P236-V239 HydrophobicContact CG-CG2 4.05Å; P236-V239 PolarHBondContact O-N 2.93Å; V239-C241 VanDerWaalsContact C-N 3.35Å
240L98.4Very high98.2Very high0 Ų054.6 Ų54.60%030%0.301CS..Hα-helixtrans-68.1-36.1173.2179.962.5000112Y201 M204 R208 L211 P212 W213 T235 P236 V237 L252Y201-L240 HydrophobicContact CD1-CD2 3.91Å; Y201-L240 HydrophobicContact CE1-CD2 3.91Å; M204-L240 VanDerWaalsContact CE-O 3.29Å; M204-L240 WeakPolarHBondContact CE-O 3.19Å; R208-L240 PolarHBondContact NH1-O 3.47Å; L211-L240 HydrophobicContact CD2-CD1 4.18Å; P212-L240 HydrophobicContact CG-CD1 3.93Å; W213-L240 HydrophobicContact CH2-CD1 4.04Å; W213-L240 HydrophobicContact CH2-CD2 3.78Å; W213-L240 HydrophobicContact CZ3-CD1 4.08Å; W213-L240 HydrophobicContact CZ3-CD2 4.25Å; T235-L240 HydrophobicContact CG2-CB 4.15Å; P236-L240 PolarHBondContact O-N 2.94Å; V237-L240 WeakPolarHBondContact O-CB 3.49Å; V237-L240 PolarHBondContact O-N 3.17Å; L240-L252 HydrophobicContact CD2-CD1 3.87Å
241C98.5Very high98.3Very high7 Ų750.3 Ų50.35%0.04728%0.281CS..Hα-helixtrans-95.20.4-177.4-56.70000114M204 V237 E238 V239 G243 Y244 M248 A249M204-C241 HydrophobicContact CE-CB 4.4Å; V237-C241 WeakPolarHBondContact O-CB 3.38Å; V237-C241 PolarHBondContact O-N 2.84Å; V237-C241 PolarHBondContact O-SG 2.92Å; E238-C241 CarbonylContact O-C 3.51Å; E238-C241 PolarHBondContact O-N 3.32Å; V239-C241 VanDerWaalsContact C-N 3.35Å; C241-G243 PolarHBondContact O-N 2.94Å; C241-Y244 WeakPolarHBondContact O-CB 3.47Å; C241-Y244 PolarHBondContact O-N 2.62Å; C241-M248 HydrophobicContact CB-CB 4.38Å; C241-A249 HydrophobicContact CB-CB 3.97Å
242E98Very high98.3Very high138 Ų13846.7 Ų46.765%0.64527%0.265SS*.THydrogen-bonded Turntrans-52.3127177.6-174.8178.2-151.800111.7E238 Y244E238-E242 PolarHBondContact O-N 3.22Å; E242-Y244 WeakPolarHBondContact O-CD2 3.48Å; E242-Y244 WeakPolarHBondContact O-CE2 3.26Å
243G97.7Very high98.3Very high80 Ų8050 Ų5083%0.82528%0.282SS*.THydrogen-bonded Turntrans82.95.6-175.500000115.6C241C241-G243 PolarHBondContact O-N 2.94Å
244Y98.2Very high98.4Very high61 Ų6148.8 Ų48.824%0.23927%0.273CS..SBendtrans-125.1163.2178.7-58-85.6000111.4M204 L207 R208 C241 E242M204-Y244 HydrophobicContact CE-CD2 3.88Å; M204-Y244 HydrophobicContact CE-CE2 4.5Å; M204-Y244 HydrophobicContact CE-CG 4.12Å; L207-Y244 HydrophobicContact CB-CD1 3.74Å; L207-Y244 HydrophobicContact CB-CE1 3.67Å; L207-Y244 HydrophobicContact CD1-CD1 4.05Å; L207-Y244 HydrophobicContact CD1-CG 4.5Å; L207-Y244 HydrophobicContact CD2-CD1 4.41Å; L207-Y244 HydrophobicContact CG-CD1 4.29Å; R208-Y244 HydrophobicContact CG-CD2 4.34Å; R208-Y244 HydrophobicContact CG-CE1 4.48Å; R208-Y244 HydrophobicContact CG-CE2 3.6Å; C241-Y244 WeakPolarHBondContact O-CB 3.47Å; C241-Y244 PolarHBondContact O-N 2.62Å; E242-Y244 WeakPolarHBondContact O-CD2 3.48Å; E242-Y244 WeakPolarHBondContact O-CE2 3.26Å
245P98.4Very high98.4Very high31 Ų3142.5 Ų42.520%0.20124%0.244CC..  trans-56.7139-179.4-27.936.8000113.6L102 E247 M248 L276L102-P245 HydrophobicContact CD1-CG 4.01Å; L102-P245 HydrophobicContact CD2-CG 3.75Å; P245-E247 WeakPolarHBondContact CB-OE2 3.41Å; P245-E247 PolarHBondContact O-N 2.74Å; P245-E247 VanDerWaalsContact O-N 3.09Å; P245-M248 WeakPolarHBondContact O-CB 3.37Å; P245-M248 WeakPolarHBondContact O-CG 3.4Å; P245-M248 PolarHBondContact O-N 3.45Å; P245-L276 HydrophobicContact CB-CD1 3.98Å; P245-L276 HydrophobicContact CB-CD2 3.5Å; P245-L276 VanDerWaalsContact CB-CD2 3.5Å; P245-L276 HydrophobicContact CB-CG 4.42Å; P245-L276 HydrophobicContact CG-CD1 4.32Å; P245-L276 HydrophobicContact CG-CD2 3.91Å
246V98.3Very high98.4Very high99 Ų9945.6 Ų45.660%0.626%0.255SS*.THydrogen-bonded Turntrans-58.6-26.5-173.3680000113.1M248 A249 V250V246-M248 PolarHBondContact O-N 2.97Å; V246-M248 VanDerWaalsContact O-N 3.13Å; V246-A249 WeakPolarHBondContact O-CB 3.33Å; V246-A249 PolarHBondContact O-N 2.88Å; V246-V250 HydrophobicContact CG2-CG2 4.36Å; V246-V250 WeakPolarHBondContact O-CG2 3.35Å; V246-V250 PolarHBondContact O-N 2.91Å
247E98.6Very high98.4Very high19 Ų1945.5 Ų45.59%0.08927%0.266CS..Hα-helixtrans-50.3-33.7171.5-7381.117700113.3P245 V250 Y251 L272 F273 L276 R279P245-E247 WeakPolarHBondContact CB-OE2 3.41Å; P245-E247 PolarHBondContact O-N 2.74Å; P245-E247 VanDerWaalsContact O-N 3.09Å; E247-V250 PolarHBondContact O-N 2.64Å; E247-Y251 VanDerWaalsContact O-CB 3.3Å; E247-Y251 WeakPolarHBondContact O-CB 2.95Å; E247-Y251 PolarHBondContact O-N 2.66Å; E247-L272 HydrophobicContact CB-CD1 4.25Å; E247-L272 HydrophobicContact CB-CD2 4.31Å; E247-L272 HydrophobicContact CB-CG 3.9Å; E247-L272 HydrophobicContact CG-CD1 3.76Å; E247-L272 HydrophobicContact CG-CG 3.76Å; E247-L272 WeakPolarHBondContact O-CD2 3.45Å; E247-F273 HydrophobicContact CB-CD1 4.11Å; E247-F273 HydrophobicContact CB-CE1 4.04Å; E247-L276 HydrophobicContact CB-CD2 4.11Å; E247-L276 HydrophobicContact CG-CB 4Å; E247-L276 HydrophobicContact CG-CD2 4.12Å; E247-R279 IonicContact OE1-CZ 3.55Å; E247-R279 IonicContact OE1-NE 2.77Å; E247-R279 IonicContact OE1-NH2 3.86Å; E247-R279 PolarHBondContact OE1-NH2 2.79Å; E247-R279 IonicContact OE2-NH2 3.22Å
248M98.6Very high98.4Very high4 Ų445.9 Ų45.92%0.0227%0.268CS..Hα-helixtrans-67.6-39.2177.5-61.3-65.9155.100112L102 L106 L203 M204 L207 C241 P245 V246 L252 F273L102-M248 HydrophobicContact CD1-CE 4.38Å; L106-M248 HydrophobicContact CD2-CE 3.93Å; L203-M248 HydrophobicContact CB-SD 4.42Å; M204-M248 HydrophobicContact SD-CB 3.52Å; M204-M248 VanDerWaalsContact SD-CB 3.52Å; M204-M248 HydrophobicContact SD-CG 3.76Å; M204-M248 HydrophobicContact SD-SD 4.16Å; L207-M248 HydrophobicContact CD1-CE 3.87Å; L207-M248 HydrophobicContact CD1-CG 4Å; L207-M248 HydrophobicContact CD1-SD 3.85Å; C241-M248 HydrophobicContact CB-CB 4.38Å; P245-M248 WeakPolarHBondContact O-CB 3.37Å; P245-M248 WeakPolarHBondContact O-CG 3.4Å; P245-M248 PolarHBondContact O-N 3.45Å; V246-M248 PolarHBondContact O-N 2.97Å; V246-M248 VanDerWaalsContact O-N 3.13Å; M248-L252 PolarHBondContact O-N 3.12Å; M248-F273 HydrophobicContact CE-CD1 3.95Å; M248-F273 HydrophobicContact CE-CE1 3.48Å; M248-F273 VanDerWaalsContact CE-CE1 3.48Å; M248-F273 HydrophobicContact CE-CZ 4.25Å; M248-F273 HydrophobicContact SD-CE1 3.69Å; M248-F273 HydrophobicContact SD-CZ 4.04Å
249A98.7Very high98.4Very high12 Ų1250 Ų5010%0.09928%0.278CS..Hα-helixtrans-71.4-43.3175.400000111.2V237 C241 V246 Y251 L252 N253V237-A249 HydrophobicContact CG1-CB 3.89Å; C241-A249 HydrophobicContact CB-CB 3.97Å; V246-A249 WeakPolarHBondContact O-CB 3.33Å; V246-A249 PolarHBondContact O-N 2.88Å; A249-Y251 VanDerWaalsContact C-N 3.33Å; A249-Y251 PolarHBondContact O-N 3.35Å; A249-L252 PolarHBondContact O-N 2.75Å; A249-N253 WeakPolarHBondContact O-CB 3.31Å; A249-N253 PolarHBondContact O-N 3.12Å
250V98.7Very high98.4Very high49 Ų4947.4 Ų47.430%0.29726%0.261SS..Hα-helixtrans-58.7-44175.6173.80000111.1V246 E247 Y254 Y268 L272V246-V250 HydrophobicContact CG2-CG2 4.36Å; V246-V250 WeakPolarHBondContact O-CG2 3.35Å; V246-V250 PolarHBondContact O-N 2.91Å; E247-V250 PolarHBondContact O-N 2.64Å; V250-Y254 VanDerWaalsContact O-CB 3.26Å; V250-Y254 WeakPolarHBondContact O-CB 3.44Å; V250-Y254 PolarHBondContact O-N 3.46Å; V250-Y268 VanDerWaalsContact CG1-OH 3.27Å; V250-Y268 WeakPolarHBondContact CG1-OH 3.42Å; V250-L272 HydrophobicContact CB-CD1 4.39Å; V250-L272 HydrophobicContact CB-CD2 4.13Å; V250-L272 HydrophobicContact CG1-CD1 3.93Å; V250-L272 HydrophobicContact CG1-CD2 3.86Å
251Y98.9Very high98.4Very high2 Ų251.5 Ų51.51%0.00828%0.283CS..Hα-helixtrans-59.1-49.7175.4179.7-79.5000112I113 M196 G200 E247 A249 Y254 C255 L269 F273I113-Y251 HydrophobicContact CD1-CE2 3.94Å; I113-Y251 HydrophobicContact CG1-CE2 4.34Å; M196-Y251 HydrophobicContact CE-CE2 4.4Å; M196-Y251 WeakPolarHBondContact CE-OH 3.36Å; M196-Y251 WeakPolarHBondContact O-CE1 3.43Å; M196-Y251 PolarHBondContact O-OH 2.67Å; M196-Y251 VanDerWaalsContact O-OH 3.08Å; G200-Y251 VanDerWaalsContact CA-CE1 3.45Å; E247-Y251 VanDerWaalsContact O-CB 3.3Å; E247-Y251 WeakPolarHBondContact O-CB 2.95Å; E247-Y251 PolarHBondContact O-N 2.66Å; A249-Y251 VanDerWaalsContact C-N 3.33Å; A249-Y251 PolarHBondContact O-N 3.35Å; Y251-Y254 PolarHBondContact O-N 2.98Å; Y251-C255 VanDerWaalsContact CE1-SG 3.57Å; Y251-C255 PolarHBondContact O-N 2.94Å; Y251-C255 PolarHBondContact O-SG 2.59Å; Y251-L269 HydrophobicContact CD2-CB 4.22Å; Y251-L269 HydrophobicContact CD2-CD2 3.73Å; Y251-L269 HydrophobicContact CD2-CG 4.37Å; Y251-L269 HydrophobicContact CE2-CB 4.09Å; Y251-L269 HydrophobicContact CE2-CD1 4.07Å; Y251-L269 HydrophobicContact CE2-CD2 4.13Å; Y251-L269 HydrophobicContact CE2-CG 4.33Å; Y251-L269 HydrophobicContact CG-CD2 4.4Å; Y251-F273 HydrophobicContact CD2-CD2 4.47Å; Y251-F273 AromaticContact CD2-CE2 3.38Å; Y251-F273 HydrophobicContact CD2-CE2 3.38Å; Y251-F273 AromaticContact CD2-CZ 3.6Å; Y251-F273 HydrophobicContact CD2-CZ 3.6Å; Y251-F273 AromaticContact CE2-CE2 3.86Å; Y251-F273 HydrophobicContact CE2-CE2 3.86Å; Y251-F273 HydrophobicContact CE2-CZ 4.42Å; Y251-F273 HydrophobicContact CG-CE2 4.05Å; Y251-F273 AromaticContact CG-CZ 3.79Å; Y251-F273 HydrophobicContact CG-CZ 3.79Å
252L98.8Very high98.4Very high0 Ų054 Ų540%030%0.296CS..Hα-helixtrans-68.6-40.8-177.4-83.4170000112.4E197 Y201 M204 V237 L240 M248 A249 C255 R256E197-L252 HydrophobicContact CG-CD2 4.46Å; Y201-L252 HydrophobicContact CD1-CD2 4.14Å; Y201-L252 HydrophobicContact CE1-CD2 3.98Å; M204-L252 HydrophobicContact CG-CD1 4.09Å; V237-L252 HydrophobicContact CG1-CB 3.57Å; V237-L252 HydrophobicContact CG1-CD1 4.17Å; V237-L252 HydrophobicContact CG2-CB 4.22Å; L240-L252 HydrophobicContact CD2-CD1 3.87Å; M248-L252 PolarHBondContact O-N 3.12Å; A249-L252 PolarHBondContact O-N 2.75Å; L252-C255 PolarHBondContact O-N 2.95Å; L252-R256 WeakPolarHBondContact O-CG 3.28Å; L252-R256 PolarHBondContact O-N 3.38Å
253N98.7Very high98.4Very high68 Ų6851.9 Ų51.936%0.36429%0.286SS..Hα-helixtrans-67-38.8175.7-77.3-28.1000111.8V237 E238 A249 C255 R256 G257V237-N253 WeakPolarHBondContact CB-OD1 3.4Å; V237-N253 VanDerWaalsContact CG2-OD1 3.23Å; V237-N253 WeakPolarHBondContact CG2-OD1 3.36Å; E238-N253 PolarHBondContact OE1-ND2 3.47Å; A249-N253 WeakPolarHBondContact O-CB 3.31Å; A249-N253 PolarHBondContact O-N 3.12Å; N253-C255 VanDerWaalsContact C-N 3.34Å; N253-C255 PolarHBondContact O-N 2.73Å; N253-R256 PolarHBondContact O-N 2.92Å; N253-G257 PolarHBondContact O-N 3.12Å
254Y98.7Very high98.4Very high68 Ų6848.2 Ų48.227%0.26725%0.248SC..Hα-helixtrans-57.9-46169.8-179.5-84.3000111.4V250 Y251 G257 M258 N265 Y268 L269V250-Y254 VanDerWaalsContact O-CB 3.26Å; V250-Y254 WeakPolarHBondContact O-CB 3.44Å; V250-Y254 PolarHBondContact O-N 3.46Å; Y251-Y254 PolarHBondContact O-N 2.98Å; Y254-G257 PolarHBondContact O-N 3.3Å; Y254-M258 HydrophobicContact CD1-CE 4.16Å; Y254-M258 HydrophobicContact CE1-CE 3.95Å; Y254-M258 HydrophobicContact CE1-CG 4.13Å; Y254-M258 HydrophobicContact CE1-SD 3.89Å; Y254-M258 PolarHBondContact O-N 2.93Å; Y254-N265 VanDerWaalsContact OH-CB 3.31Å; Y254-N265 WeakPolarHBondContact OH-CB 3.49Å; Y254-N265 PolarHBondContact OH-N 3.17Å; Y254-Y268 HydrophobicContact CD2-CD1 4.03Å; Y254-Y268 AromaticContact CD2-CE1 3.66Å; Y254-Y268 HydrophobicContact CD2-CE1 3.66Å; Y254-Y268 AromaticContact CE2-CD1 4Å; Y254-Y268 HydrophobicContact CE2-CD1 4Å; Y254-Y268 HydrophobicContact CE2-CE1 4.08Å; Y254-Y268 HydrophobicContact CG-CE1 4.16Å; Y254-L269 HydrophobicContact CD1-CD1 3.89Å; Y254-L269 HydrophobicContact CD1-CD2 3.66Å; Y254-L269 HydrophobicContact CD1-CG 4.11Å; Y254-L269 HydrophobicContact CE1-CD1 3.88Å; Y254-L269 HydrophobicContact CE1-CD2 4.22Å; Y254-L269 HydrophobicContact CE1-CG 4.19Å; Y254-L269 HydrophobicContact CG-CD2 3.95Å
255C98.7Very high98.4Very high0 Ų048.9 Ų48.90%026%0.255CS..Hα-helixtrans-64.4-42.7-179.7-66.70000112.9E197 Y251 L252 N253 G257 M258E197-C255 HydrophobicContact CB-CB 4.11Å; Y251-C255 VanDerWaalsContact CE1-SG 3.57Å; Y251-C255 PolarHBondContact O-N 2.94Å; Y251-C255 PolarHBondContact O-SG 2.59Å; L252-C255 PolarHBondContact O-N 2.95Å; N253-C255 VanDerWaalsContact C-N 3.34Å; N253-C255 PolarHBondContact O-N 2.73Å; C255-G257 VanDerWaalsContact C-N 3.33Å; C255-M258 HydrophobicContact CB-CE 4.3Å; C255-M258 PolarHBondContact O-N 3.18Å
256R97.9Very high98.4Very high72 Ų7247.9 Ų47.927%0.27225%0.248SC..Hα-helixtrans-67.1-31.3175.9-71.4179.6176.7-169.22.1112.7E197 Y201 V237 L252 N253 M258E197-R256 HydrophobicContact CG-CG 4.42Å; Y201-R256 PolarHBondContact OH-NE 2.93Å; Y201-R256 PolarHBondContact OH-NH2 3.33Å; V237-R256 VanDerWaalsContact CG2-NH1 3.35Å; L252-R256 WeakPolarHBondContact O-CG 3.28Å; L252-R256 PolarHBondContact O-N 3.38Å; N253-R256 PolarHBondContact O-N 2.92Å; R256-M258 VanDerWaalsContact C-N 3.35Å; R256-M258 PolarHBondContact O-N 3.04Å
257G97.8Very high98.4Very high63 Ų6346 Ų4665%0.64924%0.239SC*.Hα-helixtrans-74.8-13.8178.800000115.7N253 Y254 C255N253-G257 PolarHBondContact O-N 3.12Å; Y254-G257 PolarHBondContact O-N 3.3Å; C255-G257 VanDerWaalsContact C-N 3.33Å
258M98.4Very high98.4Very high10 Ų1049.4 Ų49.45%0.04925%0.252CS..SBendtrans-69.9133.7179.9-76.3-168.1-85.300112.7R193 M196 Y254 C255 R256 N262 P264R193-M258 HydrophobicContact CB-CB 3.81Å; R193-M258 HydrophobicContact CB-CE 3.81Å; R193-M258 HydrophobicContact CB-SD 4.29Å; R193-M258 WeakPolarHBondContact CD-O 3.43Å; R193-M258 PolarHBondContact NH1-O 2.81Å; M196-M258 HydrophobicContact CB-CE 4.28Å; Y254-M258 HydrophobicContact CD1-CE 4.16Å; Y254-M258 HydrophobicContact CE1-CE 3.95Å; Y254-M258 HydrophobicContact CE1-CG 4.13Å; Y254-M258 HydrophobicContact CE1-SD 3.89Å; Y254-M258 PolarHBondContact O-N 2.93Å; C255-M258 HydrophobicContact CB-CE 4.3Å; C255-M258 PolarHBondContact O-N 3.18Å; R256-M258 VanDerWaalsContact C-N 3.35Å; R256-M258 PolarHBondContact O-N 3.04Å; M258-N262 HydrophobicContact CB-CB 4.47Å; M258-P264 HydrophobicContact CE-CB 4.02Å; M258-P264 HydrophobicContact CE-CG 4.03Å; M258-P264 HydrophobicContact SD-CB 3.69Å; M258-P264 HydrophobicContact SD-CG 3.68Å
259R98.4Very high98.4Very high190 Ų19049.2 Ų49.272%0.71725%0.251SS*.  trans-66.9157.6167.2-51.2-179177.3-176.3-1.8110.1D261 N262R259-D261 PolarHBondContact O-N 3.44Å; R259-D261 VanDerWaalsContact O-N 3.16Å; R259-N262 WeakPolarHBondContact CB-OD1 3.43Å; R259-N262 PolarHBondContact N-OD1 2.86Å; R259-N262 WeakPolarHBondContact O-CB 3.45Å; R259-N262 PolarHBondContact O-N 2.78Å; R259-N262 VanDerWaalsContact O-N 3.17Å
260F98.5Very high98.4Very high23 Ų2350 Ų5010%0.10125%0.251CS..THydrogen-bonded Turntrans-53.2-36.6-175.7166-103.7000114.3H164 I165 Y167 E189 A191H164-F260 AromaticContact CE1-CD1 3.96Å; H164-F260 AromaticContact CE1-CE1 3.55Å; H164-F260 AromaticContact CE1-CZ 3.68Å; H164-F260 PolarHBondContact CE1-O 3.18Å; H164-F260 AromaticContact ND1-CE1 3.5Å; H164-F260 AromaticContact ND1-CZ 3.94Å; I165-F260 HydrophobicContact CD1-CZ 4.42Å; I165-F260 HydrophobicContact CG1-CZ 4.07Å; I165-F260 VanDerWaalsContact O-CE1 3.27Å; I165-F260 WeakPolarHBondContact O-CE1 3.38Å; Y167-F260 VanDerWaalsContact CA-CE1 3.45Å; Y167-F260 HydrophobicContact CD2-CB 4.08Å; Y167-F260 HydrophobicContact CD2-CD1 4.03Å; Y167-F260 HydrophobicContact CD2-CD2 4.02Å; Y167-F260 HydrophobicContact CD2-CE1 4.45Å; Y167-F260 HydrophobicContact CD2-CE2 4.46Å; Y167-F260 AromaticContact CD2-CG 3.78Å; Y167-F260 HydrophobicContact CD2-CG 3.78Å; Y167-F260 VanDerWaalsContact N-CE1 3.34Å; E189-F260 HydrophobicContact CB-CE2 4.35Å; E189-F260 VanDerWaalsContact O-CE2 3.22Å; E189-F260 WeakPolarHBondContact O-CE2 3.19Å; A191-F260 HydrophobicContact CB-CD2 3.64Å; A191-F260 HydrophobicContact CB-CE2 3.71Å; A191-F260 HydrophobicContact CB-CG 4.39Å; A191-F260 WeakPolarHBondContact CB-O 3.45Å
261D98.1Very high98.4Very high86 Ų8652 Ų5246%0.4626%0.261SS..THydrogen-bonded Turntrans-95.5-6.4-176.465-17.6000114.6H164 R192 R259H164-D261 HydrophobicContact CB-CB 4.39Å; R192-D261 PolarHBondContact NH2-O 2.95Å; R259-D261 PolarHBondContact O-N 3.44Å; R259-D261 VanDerWaalsContact O-N 3.16Å
262N97.9Very high98.4Very high60 Ų6053.4 Ų53.432%0.32127%0.268SS..  trans-63.6150.2-172.6-71.5172.2000113.2R192 M258 R259R192-N262 VanDerWaalsContact CZ-O 3.25Å; R192-N262 PolarHBondContact NE-O 2.94Å; R192-N262 VanDerWaalsContact NH2-C 3.26Å; R192-N262 PolarHBondContact NH2-O 3.47Å; R192-N262 VanDerWaalsContact NH2-O 3.12Å; M258-N262 HydrophobicContact CB-CB 4.47Å; R259-N262 WeakPolarHBondContact CB-OD1 3.43Å; R259-N262 PolarHBondContact N-OD1 2.86Å; R259-N262 WeakPolarHBondContact O-CB 3.45Å; R259-N262 PolarHBondContact O-N 2.78Å; R259-N262 VanDerWaalsContact O-N 3.17Å
263E98.1Very high98.4Very high92 Ų9253.7 Ų53.743%0.4327%0.269SS..  trans-91.7115.8170-161.4130.5-17900107.8R157 R192R157-E263 IonicContact CZ-OE1 3.89Å; R157-E263 IonicContact CZ-OE2 3Å; R157-E263 IonicContact NH1-OE1 3.77Å; R157-E263 PolarHBondContact NH1-OE1 2.97Å; R157-E263 IonicContact NH1-OE2 2.72Å; R157-E263 PolarHBondContact NH1-OE2 2.66Å; R157-E263 IonicContact NH2-OE1 3.8Å; R157-E263 PolarHBondContact NH2-OE1 3.49Å; R192-E263 IonicContact CZ-OE2 2.72Å; R192-E263 IonicContact NH1-OE1 2.72Å; R192-E263 IonicContact NH1-OE2 2.69Å; R192-E263 PolarHBondContact NH1-OE2 2.89Å; R192-E263 IonicContact NH2-OE2 3.28Å
264P98.3Very high98.4Very high4 Ų454.3 Ų54.33%0.02627%0.267CS..  trans-60140.2178.4-19.128.1000111.4R192 M196 M258 Y266R192-P264 HydrophobicContact CB-CG 3.93Å; M196-P264 HydrophobicContact CG-CB 4.48Å; M196-P264 HydrophobicContact CG-CG 4.21Å; M258-P264 HydrophobicContact CE-CB 4.02Å; M258-P264 HydrophobicContact CE-CG 4.03Å; M258-P264 HydrophobicContact SD-CB 3.69Å; M258-P264 HydrophobicContact SD-CG 3.68Å; P264-Y266 VanDerWaalsContact C-N 3.28Å; P264-Y266 HydrophobicContact CB-CD1 4.05Å; P264-Y266 HydrophobicContact CB-CE1 3.77Å; P264-Y266 HydrophobicContact CG-CE1 3.82Å; P264-Y266 WeakPolarHBondContact O-CD2 3.2Å; P264-Y266 VanDerWaalsContact O-CE2 3.31Å; P264-Y266 WeakPolarHBondContact O-CE2 3.25Å; P264-Y266 PolarHBondContact O-N 3.23Å
265N98.5Very high98.4Very high74 Ų7452.4 Ų52.440%0.39627%0.267SS..  trans-78.981169.7-170.8-18.3000109.8Y254 S267 Y268 L269Y254-N265 VanDerWaalsContact OH-CB 3.31Å; Y254-N265 WeakPolarHBondContact OH-CB 3.49Å; Y254-N265 PolarHBondContact OH-N 3.17Å; N265-S267 PolarHBondContact O-N 3.45Å; N265-S267 PolarHBondContact OD1-N 2.95Å; N265-S267 PolarHBondContact OD1-OG 2.85Å; N265-Y268 VanDerWaalsContact CG-CB 3.42Å; N265-Y268 WeakPolarHBondContact O-CB 3.45Å; N265-Y268 PolarHBondContact O-N 2.82Å; N265-Y268 WeakPolarHBondContact OD1-CB 3.45Å; N265-Y268 PolarHBondContact OD1-N 2.86Å; N265-L269 PolarHBondContact O-N 2.83Å; N265-L269 VanDerWaalsContact O-N 3.1Å
266Y98.6Very high98.4Very high10 Ų1052.4 Ų52.44%0.03927%0.267CS..Hα-helixtrans-60.5-30.4-178.2-46.1-81.6000112.9E117 Q120 M196 P264 R270E117-Y266 HydrophobicContact CB-CD1 3.74Å; E117-Y266 HydrophobicContact CB-CD2 4.13Å; E117-Y266 HydrophobicContact CB-CE1 3.99Å; E117-Y266 HydrophobicContact CB-CE2 4.37Å; E117-Y266 HydrophobicContact CB-CG 3.81Å; E117-Y266 HydrophobicContact CG-CD1 4.16Å; E117-Y266 HydrophobicContact CG-CD2 3.59Å; E117-Y266 HydrophobicContact CG-CE1 4.4Å; E117-Y266 HydrophobicContact CG-CE2 3.87Å; E117-Y266 HydrophobicContact CG-CG 3.75Å; E117-Y266 VanDerWaalsContact OE1-CD2 3.26Å; E117-Y266 WeakPolarHBondContact OE1-CD2 3.28Å; Q120-Y266 WeakPolarHBondContact CB-OH 3.34Å; Q120-Y266 PolarHBondContact OE1-OH 3.13Å; M196-Y266 HydrophobicContact CE-CD1 4.18Å; M196-Y266 HydrophobicContact SD-CD1 4.36Å; M196-Y266 HydrophobicContact SD-CE1 4.31Å; P264-Y266 VanDerWaalsContact C-N 3.28Å; P264-Y266 HydrophobicContact CB-CD1 4.05Å; P264-Y266 HydrophobicContact CB-CE1 3.77Å; P264-Y266 HydrophobicContact CG-CE1 3.82Å; P264-Y266 WeakPolarHBondContact O-CD2 3.2Å; P264-Y266 VanDerWaalsContact O-CE2 3.31Å; P264-Y266 WeakPolarHBondContact O-CE2 3.25Å; P264-Y266 PolarHBondContact O-N 3.23Å; Y266-R270 PolarHBondContact O-N 2.71Å
267S98.4Very high98.4Very high61 Ų6149.6 Ų49.643%0.42726%0.257SS..Hα-helixtrans-72.5-40.6177.365.50000111.8N265 R270 N271N265-S267 PolarHBondContact O-N 3.45Å; N265-S267 PolarHBondContact OD1-N 2.95Å; N265-S267 PolarHBondContact OD1-OG 2.85Å; S267-R270 PolarHBondContact O-N 2.83Å; S267-N271 WeakPolarHBondContact O-CB 3.31Å; S267-N271 PolarHBondContact O-N 3.12Å; S267-N271 PolarHBondContact O-ND2 2.87Å; S267-N271 PolarHBondContact O-OD1 3.46Å
268Y98.6Very high98.4Very high90 Ų9053.8 Ų53.835%0.35326%0.26SS..Hα-helixtrans-56.9-48.9169.2168.3-104.6000111.7V250 Y254 N265 R270 N271 L272V250-Y268 VanDerWaalsContact CG1-OH 3.27Å; V250-Y268 WeakPolarHBondContact CG1-OH 3.42Å; Y254-Y268 HydrophobicContact CD2-CD1 4.03Å; Y254-Y268 AromaticContact CD2-CE1 3.66Å; Y254-Y268 HydrophobicContact CD2-CE1 3.66Å; Y254-Y268 AromaticContact CE2-CD1 4Å; Y254-Y268 HydrophobicContact CE2-CD1 4Å; Y254-Y268 HydrophobicContact CE2-CE1 4.08Å; Y254-Y268 HydrophobicContact CG-CE1 4.16Å; N265-Y268 VanDerWaalsContact CG-CB 3.42Å; N265-Y268 WeakPolarHBondContact O-CB 3.45Å; N265-Y268 PolarHBondContact O-N 2.82Å; N265-Y268 WeakPolarHBondContact OD1-CB 3.45Å; N265-Y268 PolarHBondContact OD1-N 2.86Å; Y268-R270 PolarHBondContact O-N 2.87Å; Y268-N271 PolarHBondContact O-N 2.63Å; Y268-N271 VanDerWaalsContact O-N 3.16Å; Y268-L272 WeakPolarHBondContact O-CB 3.48Å; Y268-L272 PolarHBondContact O-N 2.93Å
269L98.7Very high98.4Very high0 Ų060.9 Ų60.90%029%0.286CS..Hα-helixtrans-67-32.7-177.8-65.6175.7000113.5I113 M196 Y251 Y254 N265 F273I113-L269 HydrophobicContact CD1-CB 4.27Å; M196-L269 HydrophobicContact CE-CD1 3.48Å; M196-L269 VanDerWaalsContact CE-CD1 3.48Å; Y251-L269 HydrophobicContact CD2-CB 4.22Å; Y251-L269 HydrophobicContact CD2-CD2 3.73Å; Y251-L269 HydrophobicContact CD2-CG 4.37Å; Y251-L269 HydrophobicContact CE2-CB 4.09Å; Y251-L269 HydrophobicContact CE2-CD1 4.07Å; Y251-L269 HydrophobicContact CE2-CD2 4.13Å; Y251-L269 HydrophobicContact CE2-CG 4.33Å; Y251-L269 HydrophobicContact CG-CD2 4.4Å; Y254-L269 HydrophobicContact CD1-CD1 3.89Å; Y254-L269 HydrophobicContact CD1-CD2 3.66Å; Y254-L269 HydrophobicContact CD1-CG 4.11Å; Y254-L269 HydrophobicContact CE1-CD1 3.88Å; Y254-L269 HydrophobicContact CE1-CD2 4.22Å; Y254-L269 HydrophobicContact CE1-CG 4.19Å; Y254-L269 HydrophobicContact CG-CD2 3.95Å; N265-L269 PolarHBondContact O-N 2.83Å; N265-L269 VanDerWaalsContact O-N 3.1Å; L269-F273 WeakPolarHBondContact O-CD2 3.36Å
270R98.7Very high98.3Very high28 Ų2856.1 Ų56.111%0.10627%0.272CS..Hα-helixtrans-69.1-47167.3-81.3-173.8-71.4-98.4-7.4112.1D110 I113 T114 E117 Y266 S267 Y268 L272 F273 R274D110-R270 WeakPolarHBondContact OD1-CD 3.49Å; D110-R270 WeakPolarHBondContact OD1-CG 3.49Å; I113-R270 HydrophobicContact CB-CG 4.23Å; I113-R270 HydrophobicContact CD1-CG 4.3Å; I113-R270 HydrophobicContact CG2-CG 3.97Å; T114-R270 PolarHBondContact OG1-NH1 3.34Å; E117-R270 IonicContact OE1-NH2 3.3Å; E117-R270 IonicContact OE2-CZ 2.74Å; E117-R270 IonicContact OE2-NH1 2.66Å; E117-R270 PolarHBondContact OE2-NH1 3.02Å; E117-R270 IonicContact OE2-NH2 2.64Å; E117-R270 PolarHBondContact OE2-NH2 2.58Å; Y266-R270 PolarHBondContact O-N 2.71Å; S267-R270 PolarHBondContact O-N 2.83Å; Y268-R270 PolarHBondContact O-N 2.87Å; R270-L272 PolarHBondContact O-N 2.64Å; R270-F273 PolarHBondContact O-N 3.39Å; R270-F273 VanDerWaalsContact O-N 3.12Å; R270-R274 VanDerWaalsContact O-CG 3.31Å; R270-R274 WeakPolarHBondContact O-CG 3.43Å; R270-R274 PolarHBondContact O-N 3.16Å
271N98.5Very high98.3Very high92 Ų9258.1 Ų58.149%0.49230%0.299SS..Hα-helixtrans-64.7-30.5-175.2-72.8-6.3000112.2S267 Y268 R274 G275S267-N271 WeakPolarHBondContact O-CB 3.31Å; S267-N271 PolarHBondContact O-N 3.12Å; S267-N271 PolarHBondContact O-ND2 2.87Å; S267-N271 PolarHBondContact O-OD1 3.46Å; Y268-N271 PolarHBondContact O-N 2.63Å; Y268-N271 VanDerWaalsContact O-N 3.16Å; N271-R274 PolarHBondContact O-N 3Å; N271-G275 PolarHBondContact O-N 2.92Å
272L98.4Very high98.3Very high31 Ų3156.9 Ų56.916%0.16229%0.289CS..Hα-helixtrans-54.1-55.2169.1-173.168.8000111.3E247 V250 Y268 R270 L276E247-L272 HydrophobicContact CB-CD1 4.25Å; E247-L272 HydrophobicContact CB-CD2 4.31Å; E247-L272 HydrophobicContact CB-CG 3.9Å; E247-L272 HydrophobicContact CG-CD1 3.76Å; E247-L272 HydrophobicContact CG-CG 3.76Å; E247-L272 WeakPolarHBondContact O-CD2 3.45Å; V250-L272 HydrophobicContact CB-CD1 4.39Å; V250-L272 HydrophobicContact CB-CD2 4.13Å; V250-L272 HydrophobicContact CG1-CD1 3.93Å; V250-L272 HydrophobicContact CG1-CD2 3.86Å; Y268-L272 WeakPolarHBondContact O-CB 3.48Å; Y268-L272 PolarHBondContact O-N 2.93Å; R270-L272 PolarHBondContact O-N 2.64Å; L272-L276 PolarHBondContact O-N 2.93Å
273F98.7Very high98.2Very high5 Ų558.7 Ų58.72%0.02230%0.302CS..Hα-helixtrans-73.6-32.1179.4-65.1-46000113.8L106 A109 I113 L203 E247 M248 Y251 L269 R270 F277L106-F273 HydrophobicContact CD2-CB 3.79Å; L106-F273 HydrophobicContact CD2-CD1 3.62Å; L106-F273 HydrophobicContact CD2-CG 3.95Å; A109-F273 HydrophobicContact CB-CD2 3.63Å; A109-F273 HydrophobicContact CB-CE2 4.02Å; A109-F273 HydrophobicContact CB-CG 4.16Å; I113-F273 HydrophobicContact CD1-CD2 3.98Å; I113-F273 HydrophobicContact CD1-CE2 4.09Å; L203-F273 HydrophobicContact CD1-CE2 3.73Å; L203-F273 HydrophobicContact CD1-CZ 3.85Å; E247-F273 HydrophobicContact CB-CD1 4.11Å; E247-F273 HydrophobicContact CB-CE1 4.04Å; M248-F273 HydrophobicContact CE-CD1 3.95Å; M248-F273 HydrophobicContact CE-CE1 3.48Å; M248-F273 VanDerWaalsContact CE-CE1 3.48Å; M248-F273 HydrophobicContact CE-CZ 4.25Å; M248-F273 HydrophobicContact SD-CE1 3.69Å; M248-F273 HydrophobicContact SD-CZ 4.04Å; Y251-F273 HydrophobicContact CD2-CD2 4.47Å; Y251-F273 AromaticContact CD2-CE2 3.38Å; Y251-F273 HydrophobicContact CD2-CE2 3.38Å; Y251-F273 AromaticContact CD2-CZ 3.6Å; Y251-F273 HydrophobicContact CD2-CZ 3.6Å; Y251-F273 AromaticContact CE2-CE2 3.86Å; Y251-F273 HydrophobicContact CE2-CE2 3.86Å; Y251-F273 HydrophobicContact CE2-CZ 4.42Å; Y251-F273 HydrophobicContact CG-CE2 4.05Å; Y251-F273 AromaticContact CG-CZ 3.79Å; Y251-F273 HydrophobicContact CG-CZ 3.79Å; L269-F273 WeakPolarHBondContact O-CD2 3.36Å; R270-F273 PolarHBondContact O-N 3.39Å; R270-F273 VanDerWaalsContact O-N 3.12Å; F273-F277 VanDerWaalsContact O-CB 3.32Å; F273-F277 WeakPolarHBondContact O-CB 3.43Å; F273-F277 PolarHBondContact O-N 3.47Å
274R98.4Very high98.1Very high82 Ų8258.9 Ų58.931%0.30930%0.3SS..Hα-helixtrans-66.2-39.9173.2-69.5171177.7-152.4-10111.9D110 R270 N271 F277 Q278 Y522D110-R274 VanDerWaalsContact CG-NH2 3.26Å; D110-R274 IonicContact OD1-CZ 3.71Å; D110-R274 IonicContact OD1-NE 2.68Å; D110-R274 PolarHBondContact OD1-NE 3.15Å; D110-R274 IonicContact OD1-NH2 3.17Å; D110-R274 PolarHBondContact OD1-NH2 3.13Å; D110-R274 IonicContact OD2-CZ 3.63Å; D110-R274 IonicContact OD2-NE 3.94Å; D110-R274 IonicContact OD2-NH2 3.81Å; D110-R274 PolarHBondContact OD2-NH2 3.31Å; R270-R274 VanDerWaalsContact O-CG 3.31Å; R270-R274 WeakPolarHBondContact O-CG 3.43Å; R270-R274 PolarHBondContact O-N 3.16Å; N271-R274 PolarHBondContact O-N 3Å; R274-F277 WeakPolarHBondContact O-CB 3.01Å; R274-F277 PolarHBondContact O-N 3.12Å; R274-Q278 WeakPolarHBondContact O-CG 3.37Å; R274-Q278 PolarHBondContact O-N 3.15Å; R274-Y522 PolarHBondContact NH2-OH 2.77Å
275G98.2Very high98Very high27 Ų2761.4 Ų61.428%0.27831%0.313SS..Hα-helixtrans-62.5-48.3174.900000111.4N271 F277 Q278 R279N271-G275 PolarHBondContact O-N 2.92Å; G275-F277 PolarHBondContact O-N 3.49Å; G275-Q278 PolarHBondContact O-N 3.35Å; G275-R279 WeakPolarHBondContact O-CG 3.45Å; G275-R279 PolarHBondContact O-N 3.48Å
276L98.4Very high97.8Very high1 Ų161.5 Ų61.51%0.00531%0.31CS..Hα-helixtrans-56.7-48.1171.8176.261.9000112.1L102 L106 P245 E247 L272 Q278 R279 E280L102-L276 HydrophobicContact CD1-CD2 4.38Å; L106-L276 HydrophobicContact CD1-CD2 3.98Å; L106-L276 HydrophobicContact CD1-CG 3.94Å; L106-L276 HydrophobicContact CD2-CD2 3.87Å; P245-L276 HydrophobicContact CB-CD1 3.98Å; P245-L276 HydrophobicContact CB-CD2 3.5Å; P245-L276 VanDerWaalsContact CB-CD2 3.5Å; P245-L276 HydrophobicContact CB-CG 4.42Å; P245-L276 HydrophobicContact CG-CD1 4.32Å; P245-L276 HydrophobicContact CG-CD2 3.91Å; E247-L276 HydrophobicContact CB-CD2 4.11Å; E247-L276 HydrophobicContact CG-CB 4Å; E247-L276 HydrophobicContact CG-CD2 4.12Å; L272-L276 PolarHBondContact O-N 2.93Å; L276-Q278 PolarHBondContact O-N 3.31Å; L276-R279 PolarHBondContact O-N 3.42Å; L276-E280 HydrophobicContact CD1-CG 3.81Å; L276-E280 HydrophobicContact CG-CG 4.25Å; L276-E280 VanDerWaalsContact O-CG 3.3Å; L276-E280 WeakPolarHBondContact O-CG 3.11Å; L276-E280 PolarHBondContact O-N 2.74Å
277F98.5Very high97.7Very high13 Ų1364.4 Ų64.46%0.05733%0.326CS..Hα-helixtrans-55.8-38.1179.1-169.6-90.4000113K103 L106 L107 F273 R274 G275 F282 T283 Y284K103-F277 HydrophobicContact CG-CE2 3.79Å; K103-F277 HydrophobicContact CG-CZ 4.27Å; L106-F277 HydrophobicContact CB-CD2 3.74Å; L106-F277 HydrophobicContact CB-CE2 4.5Å; L106-F277 HydrophobicContact CD1-CB 4.09Å; L106-F277 HydrophobicContact CD1-CD2 4.06Å; L107-F277 HydrophobicContact CD2-CE2 3.8Å; L107-F277 HydrophobicContact CD2-CZ 3.77Å; L107-F277 HydrophobicContact CG-CE2 3.88Å; L107-F277 HydrophobicContact CG-CZ 4.26Å; F273-F277 VanDerWaalsContact O-CB 3.32Å; F273-F277 WeakPolarHBondContact O-CB 3.43Å; F273-F277 PolarHBondContact O-N 3.47Å; R274-F277 WeakPolarHBondContact O-CB 3.01Å; R274-F277 PolarHBondContact O-N 3.12Å; G275-F277 PolarHBondContact O-N 3.49Å; F277-F282 HydrophobicContact CD1-CB 3.96Å; F277-F282 HydrophobicContact CD2-CB 3.96Å; F277-F282 AromaticContact CD2-CD2 3.76Å; F277-F282 HydrophobicContact CD2-CD2 3.76Å; F277-F282 HydrophobicContact CD2-CG 4.36Å; F277-F282 HydrophobicContact CE1-CB 3.67Å; F277-F282 WeakPolarHBondContact CE1-O 3.42Å; F277-F282 HydrophobicContact CE2-CB 3.67Å; F277-F282 HydrophobicContact CE2-CD2 4.02Å; F277-F282 HydrophobicContact CE2-CG 4.27Å; F277-F282 HydrophobicContact CG-CB 4.11Å; F277-F282 HydrophobicContact CG-CD2 4.25Å; F277-F282 HydrophobicContact CZ-CB 3.52Å; F277-F282 PolarHBondContact O-N 2.88Å; F277-F282 VanDerWaalsContact O-N 3.17Å; F277-T283 WeakPolarHBondContact CZ-O 3.2Å; F277-Y284 HydrophobicContact CD1-CD2 4.39Å; F277-Y284 AromaticContact CE1-CD2 3.81Å; F277-Y284 HydrophobicContact CE1-CD2 3.81Å; F277-Y284 HydrophobicContact CE1-CG 4.33Å; F277-Y284 AromaticContact CZ-CD2 3.95Å; F277-Y284 HydrophobicContact CZ-CD2 3.95Å
278Q97.9Very high97.7Very high151 Ų15161.6 Ų61.671%0.70631%0.306SS*.Hα-helixtrans-72.2-41.7174.5-70.6170.6-6.100112.4R274 G275 L276 E280 G281R274-Q278 WeakPolarHBondContact O-CG 3.37Å; R274-Q278 PolarHBondContact O-N 3.15Å; G275-Q278 PolarHBondContact O-N 3.35Å; L276-Q278 PolarHBondContact O-N 3.31Å; Q278-E280 VanDerWaalsContact C-N 3.31Å; Q278-E280 PolarHBondContact O-N 3.2Å; Q278-G281 PolarHBondContact O-N 3.04Å
279R98Very high97.6Very high159 Ų15957.9 Ų57.960%0.629%0.292SS*.Hα-helixtrans-64.5-33.2177.3-68.4-169.2-54.198-7.6113E247 G275 L276 G281E247-R279 IonicContact OE1-CZ 3.55Å; E247-R279 IonicContact OE1-NE 2.77Å; E247-R279 IonicContact OE1-NH2 3.86Å; E247-R279 PolarHBondContact OE1-NH2 2.79Å; E247-R279 IonicContact OE2-NH2 3.22Å; G275-R279 WeakPolarHBondContact O-CG 3.45Å; G275-R279 PolarHBondContact O-N 3.48Å; L276-R279 PolarHBondContact O-N 3.42Å; R279-G281 PolarHBondContact O-N 2.87Å
280E97.8Very high97.5Very high90 Ų9058.2 Ų58.242%0.42129%0.294SS..THydrogen-bonded Turntrans-77.6-1.7174.3-60.8-72.4122.100113.1L102 L276 Q278 F282L102-E280 HydrophobicContact CD2-CG 3.95Å; L276-E280 HydrophobicContact CD1-CG 3.81Å; L276-E280 HydrophobicContact CG-CG 4.25Å; L276-E280 VanDerWaalsContact O-CG 3.3Å; L276-E280 WeakPolarHBondContact O-CG 3.11Å; L276-E280 PolarHBondContact O-N 2.74Å; Q278-E280 VanDerWaalsContact C-N 3.31Å; Q278-E280 PolarHBondContact O-N 3.2Å; E280-F282 VanDerWaalsContact C-N 3.31Å; E280-F282 HydrophobicContact CB-CD1 4.34Å; E280-F282 HydrophobicContact CB-CD2 3.69Å; E280-F282 HydrophobicContact CB-CE1 4.09Å; E280-F282 HydrophobicContact CB-CE2 3.4Å; E280-F282 HydrophobicContact CB-CG 4.15Å; E280-F282 HydrophobicContact CB-CZ 3.61Å; E280-F282 HydrophobicContact CG-CD2 4.46Å; E280-F282 HydrophobicContact CG-CE2 3.84Å; E280-F282 HydrophobicContact CG-CZ 4.17Å; E280-F282 PolarHBondContact O-N 3.17Å
281G97.7Very high97.3Very high64 Ų6459.4 Ų59.466%0.6630%0.302SS*.THydrogen-bonded Turntrans69.820.7178.200000114.9Q278 R279Q278-G281 PolarHBondContact O-N 3.04Å; R279-G281 PolarHBondContact O-N 2.87Å
282F97.9Very high96.8Very high61 Ų6158.9 Ų58.927%0.26830%0.299SS..  trans-77.3135.5-177.1-60.6-38.3000112.8L102 K103 L106 F277 E280L102-F282 HydrophobicContact CB-CE2 4.28Å; L102-F282 HydrophobicContact CB-CZ 4.36Å; L102-F282 HydrophobicContact CD2-CE2 4.21Å; L102-F282 HydrophobicContact CD2-CZ 4.47Å; L102-F282 HydrophobicContact CG-CE2 4.09Å; K103-F282 HydrophobicContact CB-CD1 4.14Å; K103-F282 HydrophobicContact CB-CD2 3.85Å; K103-F282 HydrophobicContact CB-CE1 4.23Å; K103-F282 HydrophobicContact CB-CE2 3.94Å; K103-F282 HydrophobicContact CB-CG 3.97Å; K103-F282 HydrophobicContact CB-CZ 4.14Å; K103-F282 HydrophobicContact CD-CB 4.42Å; K103-F282 HydrophobicContact CD-CD1 4.45Å; K103-F282 HydrophobicContact CD-CG 4.41Å; K103-F282 HydrophobicContact CG-CB 4.14Å; K103-F282 HydrophobicContact CG-CD1 4.37Å; K103-F282 HydrophobicContact CG-CD2 4.16Å; K103-F282 HydrophobicContact CG-CG 3.98Å; L106-F282 HydrophobicContact CD1-CD2 4.41Å; L106-F282 HydrophobicContact CD1-CE2 4.26Å; F277-F282 HydrophobicContact CD1-CB 3.96Å; F277-F282 HydrophobicContact CD2-CB 3.96Å; F277-F282 AromaticContact CD2-CD2 3.76Å; F277-F282 HydrophobicContact CD2-CD2 3.76Å; F277-F282 HydrophobicContact CD2-CG 4.36Å; F277-F282 HydrophobicContact CE1-CB 3.67Å; F277-F282 WeakPolarHBondContact CE1-O 3.42Å; F277-F282 HydrophobicContact CE2-CB 3.67Å; F277-F282 HydrophobicContact CE2-CD2 4.02Å; F277-F282 HydrophobicContact CE2-CG 4.27Å; F277-F282 HydrophobicContact CG-CB 4.11Å; F277-F282 HydrophobicContact CG-CD2 4.25Å; F277-F282 HydrophobicContact CZ-CB 3.52Å; F277-F282 PolarHBondContact O-N 2.88Å; F277-F282 VanDerWaalsContact O-N 3.17Å; E280-F282 VanDerWaalsContact C-N 3.31Å; E280-F282 HydrophobicContact CB-CD1 4.34Å; E280-F282 HydrophobicContact CB-CD2 3.69Å; E280-F282 HydrophobicContact CB-CE1 4.09Å; E280-F282 HydrophobicContact CB-CE2 3.4Å; E280-F282 HydrophobicContact CB-CG 4.15Å; E280-F282 HydrophobicContact CB-CZ 3.61Å; E280-F282 HydrophobicContact CG-CD2 4.46Å; E280-F282 HydrophobicContact CG-CE2 3.84Å; E280-F282 HydrophobicContact CG-CZ 4.17Å; E280-F282 PolarHBondContact O-N 3.17Å
283T96.7Very high96Very high97 Ų9761 Ų6160%0.59531%0.31SS*.  trans-74.7132169.2-45.90000111K103 F277 D285K103-T283 VanDerWaalsContact CE-O 3.27Å; K103-T283 WeakPolarHBondContact CE-O 3.44Å; F277-T283 WeakPolarHBondContact CZ-O 3.2Å; T283-D285 HydrophobicContact CG2-CB 4.04Å; T283-D285 PolarHBondContact O-N 2.98Å
284Y95.3Very high94.7Very high96 Ų9666.8 Ų66.838%0.37634%0.335SS..  trans-82.565.5175-159.2-88.7000110.8L107 F277 F286L107-Y284 HydrophobicContact CD2-CD2 3.53Å; L107-Y284 HydrophobicContact CD2-CE2 3.45Å; L107-Y284 VanDerWaalsContact CD2-CE2 3.45Å; L107-Y284 HydrophobicContact CD2-CG 4.18Å; F277-Y284 HydrophobicContact CD1-CD2 4.39Å; F277-Y284 AromaticContact CE1-CD2 3.81Å; F277-Y284 HydrophobicContact CE1-CD2 3.81Å; F277-Y284 HydrophobicContact CE1-CG 4.33Å; F277-Y284 AromaticContact CZ-CD2 3.95Å; F277-Y284 HydrophobicContact CZ-CD2 3.95Å; Y284-F286 HydrophobicContact CD1-CE2 4.4Å; Y284-F286 HydrophobicContact CD1-CZ 4.24Å; Y284-F286 HydrophobicContact CE1-CD1 4.41Å; Y284-F286 AromaticContact CE1-CE1 3.74Å; Y284-F286 HydrophobicContact CE1-CE1 3.74Å; Y284-F286 HydrophobicContact CE1-CE2 4.24Å; Y284-F286 AromaticContact CE1-CZ 3.65Å; Y284-F286 HydrophobicContact CE1-CZ 3.65Å
285D95.9Very high92.9Very high57 Ų5769.8 Ų69.831%0.30535%0.351SS..SBendtrans-99-0.8-171.65519.2000114.2K103 T283 I287K103-D285 VanDerWaalsContact CE-OD1 3.28Å; K103-D285 WeakPolarHBondContact CE-OD1 3.49Å; K103-D285 IonicContact NZ-OD1 2.95Å; K103-D285 PolarHBondContact NZ-OD1 2.85Å; K103-D285 IonicContact NZ-OD2 2.69Å; K103-D285 PolarHBondContact NZ-OD2 2.75Å; T283-D285 HydrophobicContact CG2-CB 4.04Å; T283-D285 PolarHBondContact O-N 2.98Å; D285-I287 HydrophobicContact CB-CD1 4.23Å; D285-I287 HydrophobicContact CB-CG1 4.09Å; D285-I287 PolarHBondContact O-N 2.99Å; D285-I287 WeakPolarHBondContact OD1-CB 3.28Å; D285-I287 PolarHBondContact OD1-N 2.86Å
286F95.5Very high90.8Very high76 Ų7672.5 Ų72.533%0.33337%0.365SS..  trans5820.9-170-52.8-87.9000115.3N143 Y284 F288N143-F286 HydrophobicContact CB-CB 3.7Å; N143-F286 HydrophobicContact CB-CD1 3.87Å; N143-F286 HydrophobicContact CB-CG 3.91Å; Y284-F286 HydrophobicContact CD1-CE2 4.4Å; Y284-F286 HydrophobicContact CD1-CZ 4.24Å; Y284-F286 HydrophobicContact CE1-CD1 4.41Å; Y284-F286 AromaticContact CE1-CE1 3.74Å; Y284-F286 HydrophobicContact CE1-CE1 3.74Å; Y284-F286 HydrophobicContact CE1-CE2 4.24Å; Y284-F286 AromaticContact CE1-CZ 3.65Å; Y284-F286 HydrophobicContact CE1-CZ 3.65Å; F286-F288 HydrophobicContact CB-CE2 4.37Å; F286-F288 WeakPolarHBondContact O-CD2 3.48Å; F286-F288 WeakPolarHBondContact O-CE2 3.12Å; F286-F288 PolarHBondContact O-N 2.99Å
287I96.3Very high88.4Confident71 Ų7174.7 Ų74.736%0.36439%0.388SS..  trans-87.4102.9173.6-56.7177.8000108.7D285 N291 L292D285-I287 HydrophobicContact CB-CD1 4.23Å; D285-I287 HydrophobicContact CB-CG1 4.09Å; D285-I287 PolarHBondContact O-N 2.99Å; D285-I287 WeakPolarHBondContact OD1-CB 3.28Å; D285-I287 PolarHBondContact OD1-N 2.86Å; I287-N291 HydrophobicContact CG2-CB 4.06Å; I287-L292 HydrophobicContact CG2-CD2 3.79Å; I287-L292 HydrophobicContact CG2-CG 4.08Å
288F97.3Very high85.9Confident2 Ų279.7 Ų79.71%0.00942%0.415CS..  trans-90.6167.6173-52.1-95.4000110.8T104 L107 L108 M136 F286 W290 N291T104-F288 HydrophobicContact CG2-CB 4.22Å; T104-F288 HydrophobicContact CG2-CD1 4.15Å; L107-F288 HydrophobicContact CB-CD1 4.04Å; L107-F288 HydrophobicContact CB-CE1 3.51Å; L107-F288 HydrophobicContact CB-CZ 4.23Å; L107-F288 HydrophobicContact CD1-CD1 4.04Å; L107-F288 HydrophobicContact CD1-CE1 4.07Å; L107-F288 HydrophobicContact CD1-CG 4.48Å; L107-F288 HydrophobicContact CG-CE1 4.44Å; L108-F288 HydrophobicContact CD2-CE1 4.04Å; L108-F288 HydrophobicContact CG-CD1 4.37Å; L108-F288 HydrophobicContact CG-CE1 4.11Å; M136-F288 HydrophobicContact CE-CE2 4.03Å; M136-F288 HydrophobicContact CE-CZ 4.17Å; F286-F288 HydrophobicContact CB-CE2 4.37Å; F286-F288 WeakPolarHBondContact O-CD2 3.48Å; F286-F288 WeakPolarHBondContact O-CE2 3.12Å; F286-F288 PolarHBondContact O-N 2.99Å; F288-W290 VanDerWaalsContact C-N 3.28Å; F288-W290 HydrophobicContact CB-CD2 3.74Å; F288-W290 VanDerWaalsContact CB-CE2 3.4Å; F288-W290 HydrophobicContact CB-CE3 3.98Å; F288-W290 HydrophobicContact CB-CG 4.46Å; F288-W290 HydrophobicContact CB-CH2 3.64Å; F288-W290 HydrophobicContact CB-CZ2 3.38Å; F288-W290 HydrophobicContact CB-CZ3 3.92Å; F288-W290 AromaticContact CD1-CH2 3.52Å; F288-W290 HydrophobicContact CD1-CH2 3.52Å; F288-W290 AromaticContact CD1-CZ2 3.61Å; F288-W290 HydrophobicContact CD1-CZ2 3.61Å; F288-W290 HydrophobicContact CD1-CZ3 4.37Å; F288-W290 AromaticContact CD2-CE2 4Å; F288-W290 HydrophobicContact CD2-CH2 4.35Å; F288-W290 AromaticContact CD2-CZ2 3.59Å; F288-W290 HydrophobicContact CD2-CZ2 3.59Å; F288-W290 HydrophobicContact CE1-CH2 4.2Å; F288-W290 HydrophobicContact CE1-CZ2 4.21Å; F288-W290 HydrophobicContact CE2-CZ2 4.21Å; F288-W290 AromaticContact CG-CE2 3.76Å; F288-W290 AromaticContact CG-CH2 3.6Å; F288-W290 HydrophobicContact CG-CH2 3.6Å; F288-W290 AromaticContact CG-CZ2 3.25Å; F288-W290 HydrophobicContact CG-CZ2 3.25Å; F288-W290 HydrophobicContact CG-CZ3 4.37Å; F288-W290 HydrophobicContact CZ-CZ2 4.48Å; F288-W290 PolarHBondContact O-N 2.95Å; F288-N291 PolarHBondContact N-OD1 2.86Å; F288-N291 VanDerWaalsContact N-OD1 3.08Å; F288-N291 VanDerWaalsContact O-CB 3.31Å; F288-N291 WeakPolarHBondContact O-CB 3.09Å; F288-N291 PolarHBondContact O-N 2.83Å; F288-N291 PolarHBondContact O-OD1 2.92Å
289D97.5Very high83.5Confident13 Ų1377.8 Ų77.87%0.0741%0.41CS..Hα-helixtrans-56.4-38.4-176.6-66.5-46.6000113.9C96 F100 K101 T104 N291 L292 L293C96-D289 HydrophobicContact CB-CB 4.5Å; F100-D289 WeakPolarHBondContact CA-OD2 3.16Å; K101-D289 WeakPolarHBondContact CD-OD1 3.29Å; K101-D289 VanDerWaalsContact CE-OD1 3.25Å; K101-D289 WeakPolarHBondContact CE-OD1 3.32Å; K101-D289 WeakPolarHBondContact CG-OD1 3.35Å; K101-D289 PolarHBondContact N-OD2 3.21Å; K101-D289 IonicContact NZ-OD1 2.73Å; T104-D289 WeakPolarHBondContact CB-OD2 3.32Å; T104-D289 PolarHBondContact OG1-N 3.08Å; T104-D289 VanDerWaalsContact OG1-N 3.11Å; T104-D289 PolarHBondContact OG1-OD1 3.49Å; T104-D289 PolarHBondContact OG1-OD2 2.88Å; D289-N291 PolarHBondContact O-N 2.91Å; D289-L292 PolarHBondContact O-N 2.85Å; D289-L293 PolarHBondContact O-N 2.79Å
290W96.8Very high80.9Confident7 Ų777.7 Ų77.73%0.02742%0.416CS..Hα-helixtrans-72.6-12178.159.276.7000114.3L89 L92 F95 F100 T104 L108 M136 F288 K294L89-W290 HydrophobicContact CD2-CH2 4.25Å; L92-W290 HydrophobicContact CB-CD2 4.25Å; L92-W290 HydrophobicContact CB-CE3 3.88Å; L92-W290 HydrophobicContact CB-CZ3 4.27Å; L92-W290 HydrophobicContact CD1-CD2 3.9Å; L92-W290 HydrophobicContact CD1-CE3 4.12Å; L92-W290 HydrophobicContact CD1-CG 4.47Å; L92-W290 HydrophobicContact CD1-CH2 4.19Å; L92-W290 HydrophobicContact CD1-CZ2 3.96Å; L92-W290 HydrophobicContact CD1-CZ3 4.26Å; L92-W290 HydrophobicContact CD2-CB 3.91Å; L92-W290 HydrophobicContact CD2-CD2 3.94Å; L92-W290 HydrophobicContact CD2-CE3 4.42Å; L92-W290 HydrophobicContact CD2-CG 3.71Å; L92-W290 HydrophobicContact CG-CD2 4.25Å; L92-W290 HydrophobicContact CG-CE3 4.37Å; F95-W290 HydrophobicContact CD1-CB 3.8Å; F95-W290 HydrophobicContact CE1-CB 3.89Å; F100-W290 HydrophobicContact CD1-CZ3 4.48Å; F100-W290 AromaticContact CE1-CE3 3.81Å; F100-W290 HydrophobicContact CE1-CE3 3.81Å; F100-W290 AromaticContact CE1-CZ3 3.77Å; F100-W290 HydrophobicContact CE1-CZ3 3.77Å; F100-W290 HydrophobicContact CE2-CZ3 4.12Å; F100-W290 AromaticContact CZ-CE3 3.99Å; F100-W290 HydrophobicContact CZ-CE3 3.99Å; F100-W290 AromaticContact CZ-CZ3 3.58Å; F100-W290 HydrophobicContact CZ-CZ3 3.58Å; T104-W290 HydrophobicContact CG2-CE3 4.47Å; T104-W290 HydrophobicContact CG2-CH2 4.24Å; T104-W290 HydrophobicContact CG2-CZ3 3.74Å; L108-W290 HydrophobicContact CD1-CH2 4.15Å; L108-W290 HydrophobicContact CD1-CZ3 4.37Å; L108-W290 HydrophobicContact CD2-CH2 4.15Å; L108-W290 HydrophobicContact CG-CH2 4.39Å; M136-W290 HydrophobicContact CE-CZ2 4.1Å; M136-W290 HydrophobicContact CG-CZ2 4.09Å; M136-W290 HydrophobicContact SD-CH2 4.48Å; M136-W290 HydrophobicContact SD-CZ2 3.96Å; F288-W290 VanDerWaalsContact C-N 3.28Å; F288-W290 HydrophobicContact CB-CD2 3.74Å; F288-W290 VanDerWaalsContact CB-CE2 3.4Å; F288-W290 HydrophobicContact CB-CE3 3.98Å; F288-W290 HydrophobicContact CB-CG 4.46Å; F288-W290 HydrophobicContact CB-CH2 3.64Å; F288-W290 HydrophobicContact CB-CZ2 3.38Å; F288-W290 HydrophobicContact CB-CZ3 3.92Å; F288-W290 AromaticContact CD1-CH2 3.52Å; F288-W290 HydrophobicContact CD1-CH2 3.52Å; F288-W290 AromaticContact CD1-CZ2 3.61Å; F288-W290 HydrophobicContact CD1-CZ2 3.61Å; F288-W290 HydrophobicContact CD1-CZ3 4.37Å; F288-W290 AromaticContact CD2-CE2 4Å; F288-W290 HydrophobicContact CD2-CH2 4.35Å; F288-W290 AromaticContact CD2-CZ2 3.59Å; F288-W290 HydrophobicContact CD2-CZ2 3.59Å; F288-W290 HydrophobicContact CE1-CH2 4.2Å; F288-W290 HydrophobicContact CE1-CZ2 4.21Å; F288-W290 HydrophobicContact CE2-CZ2 4.21Å; F288-W290 AromaticContact CG-CE2 3.76Å; F288-W290 AromaticContact CG-CH2 3.6Å; F288-W290 HydrophobicContact CG-CH2 3.6Å; F288-W290 AromaticContact CG-CZ2 3.25Å; F288-W290 HydrophobicContact CG-CZ2 3.25Å; F288-W290 HydrophobicContact CG-CZ3 4.37Å; F288-W290 HydrophobicContact CZ-CZ2 4.48Å; F288-W290 PolarHBondContact O-N 2.95Å; W290-K294 WeakPolarHBondContact O-CG 3.26Å
291N93.7Very high78.3Confident52 Ų5279.9 Ų79.928%0.27843%0.431SS..Hα-helixtrans-73-44169.2-66.190000109.8I287 F288 D289 K294 F295I287-N291 HydrophobicContact CG2-CB 4.06Å; F288-N291 PolarHBondContact N-OD1 2.86Å; F288-N291 VanDerWaalsContact N-OD1 3.08Å; F288-N291 VanDerWaalsContact O-CB 3.31Å; F288-N291 WeakPolarHBondContact O-CB 3.09Å; F288-N291 PolarHBondContact O-N 2.83Å; F288-N291 PolarHBondContact O-OD1 2.92Å; D289-N291 PolarHBondContact O-N 2.91Å; N291-K294 PolarHBondContact O-N 3.02Å; N291-F295 WeakPolarHBondContact O-CD2 3.36Å; N291-F295 WeakPolarHBondContact O-CE2 3.29Å
292L87.2Confident75.7Confident81 Ų8181.1 Ų81.142%0.42443%0.43SS..Hα-helixtrans-65.5-45.4-178.3-59.1176000111.8I287 D289 K294 F295I287-L292 HydrophobicContact CG2-CD2 3.79Å; I287-L292 HydrophobicContact CG2-CG 4.08Å; D289-L292 PolarHBondContact O-N 2.85Å; L292-K294 PolarHBondContact O-N 2.88Å; L292-K294 VanDerWaalsContact O-N 3.11Å; L292-F295 PolarHBondContact O-N 2.8Å
293L81.9Confident73Confident77 Ų7785.5 Ų85.540%0.40345%0.453SS..Hα-helixtrans-61-21.4179.5-66.5174000114F95 C96 D289F95-L293 HydrophobicContact CD1-CD1 4.25Å; F95-L293 HydrophobicContact CE1-CB 3.74Å; F95-L293 HydrophobicContact CE1-CD1 3.98Å; F95-L293 HydrophobicContact CZ-CB 3.63Å; F95-L293 HydrophobicContact CZ-CD1 4.25Å; C96-L293 HydrophobicContact CB-CD1 4.32Å; D289-L293 PolarHBondContact O-N 2.79Å
294K72.6Confident70.5Confident126 Ų12687.3 Ų87.355%0.54846%0.459SS..Hα-helixtrans-76.9-19.6176.8-75175.4179.6-177.60113.7W290 N291 L292W290-K294 WeakPolarHBondContact O-CG 3.26Å; N291-K294 PolarHBondContact O-N 3.02Å; L292-K294 PolarHBondContact O-N 2.88Å; L292-K294 VanDerWaalsContact O-N 3.11Å
295F58.8Low68Low145 Ų14590 Ų9064%0.63648%0.48SS*.Hα-helixtrans-84.6-49.2176.4-64.8-74.3000110.9N291 L292 G297 N298N291-F295 WeakPolarHBondContact O-CD2 3.36Å; N291-F295 WeakPolarHBondContact O-CE2 3.29Å; L292-F295 PolarHBondContact O-N 2.8Å; F295-G297 PolarHBondContact O-N 2.93Å; F295-N298 PolarHBondContact O-N 3.03Å; F295-N298 VanDerWaalsContact O-N 3.09Å
296S54.2Low65.5Low83 Ų8392.8 Ų92.858%0.5850%0.499SS*.Hα-helixtrans-59.7-16.1-178-50.70000115.4
297G48.2Very low63Low47 Ų4795.5 Ų95.549%0.48552%0.522SS..Hα-helixtrans-79.1-15.4177.100000115.5F295F295-G297 PolarHBondContact O-N 2.93Å
298N47.1Very low60.2Low119 Ų11996 Ų9664%0.63654%0.544SS*.Hα-helixtrans-93.6-39.2-175.1-75.7-10.6000113.4F295 Q300 N301F295-N298 PolarHBondContact O-N 3.03Å; F295-N298 VanDerWaalsContact O-N 3.09Å; N298-Q300 VanDerWaalsContact C-N 3.33Å; N298-Q300 PolarHBondContact O-N 3.41Å; N298-N301 PolarHBondContact O-N 2.83Å
299D46.7Very low57.5Low110 Ų110100.4 Ų100.459%0.58858%0.581SS**Hα-helixtrans-66.8-33.1-169.3-56.7-43.4000113.2N301 S302D299-N301 PolarHBondContact O-N 2.96Å; D299-S302 PolarHBondContact O-N 3.12Å; D299-S302 VanDerWaalsContact O-N 3.1Å
300Q44.4Very low54.9Low157 Ų157105.9 Ų105.973%0.73462%0.615SS**THydrogen-bonded Turntrans-59.3-28.7178.9-74.4-80.7-47.100113.7N298N298-Q300 VanDerWaalsContact C-N 3.33Å; N298-Q300 PolarHBondContact O-N 3.41Å
301N42Very low52.2Low136 Ų136112.9 Ų112.973%0.72765%0.653SS**THydrogen-bonded Turntrans-87.1-8.6179.4-82.8-29.9000113.8N298 D299N298-N301 PolarHBondContact O-N 2.83Å; D299-N301 PolarHBondContact O-N 2.96Å
302S43.2Very low49.4Very low91 Ų91117.5 Ų117.564%0.63668%0.677SS**THydrogen-bonded Turntrans-98.2-10.1-172.8-140.40000114.4D299D299-S302 PolarHBondContact O-N 3.12Å; D299-S302 VanDerWaalsContact O-N 3.1Å
303M42.1Very low47.1Very low152 Ų152120 Ų12075%0.74969%0.691SS**SBendtrans-98.9-14.1-177.5-72.4-175166.900115N305M303-N305 PolarHBondContact O-N 2.91Å
304N43.1Very low45.2Very low135 Ų135123.8 Ų123.872%0.72271%0.712SS**THydrogen-bonded Turntrans-876.1-177.4-78.8-17.6000114.9
305N44.1Very low43.4Very low153 Ų153124.7 Ų124.782%0.81872%0.723SS**THydrogen-bonded Turntrans-116.29.7-175.6-96.7-13.1000114.4M303M303-N305 PolarHBondContact O-N 2.91Å
306T43.1Very low42.6Very low115 Ų115124.3 Ų124.371%0.70673%0.728SS**SBendtrans-121.712.4-164.5-20.80000114.6
307T42.9Very low42Very low133 Ų133126.2 Ų126.282%0.81673%0.731SS**SBendtrans-120.42.9-172.647.70000115
308G38.2Very low41.6Very low81 Ų81130.3 Ų130.384%0.83574%0.742SS**SBendtrans-10018.3-168.300000117.8
309A39.4Very low41.4Very low96 Ų96130.3 Ų130.379%0.79374%0.742SS**  trans-146.238.4-162.500000117.1
310V43.4Very low41.2Very low128 Ų128132 Ų13278%0.77675%0.751SS**  trans-138.4133.1174.8-1790000112.7
311N40Very low40.9Very low154 Ų154128.2 Ų128.282%0.82475%0.754SS**  trans63.5104.8165.6-67-1.7000120.9
312N35.6Very low40.9Very low148 Ų148128.8 Ų128.879%0.79176%0.757SS**  trans-79.7169.3150.1-119.8-12.7000110.8
313N38.9Very low40.9Very low133 Ų133132 Ų13271%0.71177%0.767SS**  trans63.2113.5163.1-56.2-6000116.2
314N40.7Very low40.8Very low157 Ų157132.4 Ų132.484%0.8477%0.767SS**  -168.4163.155.2-96.8-29.1000112.7
315N36.1Very low40.5Very low145 Ų145132.4 Ų132.478%0.77577%0.766SS**  trans-84.2152.7173.3-64.1-30.3000112.8
316N41.3Very low40.3Very low138 Ų138132.3 Ų132.374%0.73876%0.764SS**  179.9136.3109.4-91.1-16.4000115.2
317N41.4Very low40Very low122 Ų122131.9 Ų131.965%0.65276%0.761SS**  trans62.8109.4142.6-60.6-12.1000122.3
318N41.1Very low39.7Very low134 Ų134132.5 Ų132.572%0.71776%0.759SS**  60.5144.4110.2-60.56.1000120.3
319N42Very low39.3Very low119 Ų119137.8 Ų137.864%0.63676%0.763SS**  cis-160.8160.114.2-127.98.3000114.3
320N41.8Very low39.2Very low146 Ų146141.6 Ų141.678%0.78176%0.764SS**  trans63.2130.1150.1-61-8.4000122
321G39.5Very low38.7Very low76 Ų76140.8 Ų140.878%0.78476%0.764SS**  trans160.589.4166.400000111.9
322N41.7Very low38.3Very low148 Ų148138.5 Ų138.579%0.79176%0.76SS**  trans-84.2149.4-172-61.8-19000112.8
323D42.1Very low38Very low160 Ų160139.9 Ų139.986%0.85676%0.762SS**  -157.4167.1103.7-120.6-33.9000114.4
324H41.3Very low37.7Very low159 Ų159142.4 Ų142.474%0.73677%0.769SS**  trans-88.1172.4-166.3-86.6-18.6000115.8
325L35.7Very low37.1Very low136 Ų136142.6 Ų142.671%0.71277%0.765SS**  cis177-179.4-27.8-167.967000106.8
326I39.5Very low36.9Very low150 Ų150144.4 Ų144.477%0.76977%0.769SS**  trans86.1128.5162.6-65.3162.4000114.5
327T37Very low36.3Very low106 Ų106145.8 Ų145.865%0.6577%0.771SS**  cis-162.7158.6-10.7-101.10000111.1
328N36.1Very low35.8Very low146 Ų146147.6 Ų147.678%0.78178%0.78SS**  trans58.492.5165.2-72-7.7000120
329Q30.8Very low35.3Very low193 Ų193147.5 Ų147.590%0.90278%0.784SS**  trans-89.5153132.2-64178.91.900109.3
330Q37.5Very low34.7Very low176 Ų176150.6 Ų150.682%0.82279%0.794SS**  trans-144.9141.1157.8-102.9-171.83.300112.8
331S33.2Very low34.1Very low111 Ų111148.5 Ų148.578%0.77679%0.791SS**  trans45.1100.615956.80000119.2
332S30.1Very low33.9Very low105 Ų105150.5 Ų150.573%0.73479%0.793SS**  trans-72.7176.9141.755.40000111.3
333Q29.8Very low33.3Very low178 Ų178154.7 Ų154.783%0.83280%0.798SS**  trans7988.6172.8-49-175.321.700118.6
334Q32.4Very low32.7Very low185 Ų185159.3 Ų159.386%0.86480%0.803SS**  trans-179.2149.2141.9-101.917364.400108.8
335Q28.9Very low32.3Very low161 Ų161155.1 Ų155.175%0.75280%0.803SS**  cis-155.7159.9-35.8-141.617513.800108.8Q337Q335-Q337 PolarHBondContact O-N 2.95Å
336Q30.7Very low32.1Very low183 Ų183157.1 Ų157.186%0.85581%0.808SS**  trans-77.7105.9169.8-67.9173.5-6.500110.3
337Q29Very low31.8Very low167 Ų167157.6 Ų157.678%0.7881%0.807SS**  trans-175.7121.3156.8-107.2149.199.300112.1Q335Q335-Q337 PolarHBondContact O-N 2.95Å
338L32.1Very low31.5Very low161 Ų161159.9 Ų159.984%0.84381%0.81SS**  trans-177.969136.9-102166.4000110.7
339V29.6Very low31.3Very low132 Ų132159.8 Ų159.880%0.881%0.809SS**  trans-117.2144.2156.3-173.90000105.8
340Q29.1Very low31.2Very low184 Ų184158.2 Ų158.286%0.8680%0.802SS**  trans86.267.7178-46-173.43000118.4
341S29.1Very low30.9Very low101 Ų101159.6 Ų159.671%0.70681%0.805SS**  trans-162.6135.7140.939.50000108.6
342S35.5Very low30.8Very low118 Ų118159.5 Ų159.583%0.82580%0.8SS**  cis-129.4134.911-65.60000113.7
343R29.5Very low30.9Very low237 Ų237163.4 Ų163.489%0.89480%0.803SS**  trans-130147.6153.1-83.6-175.5169.5-171.5-2.6106.7
344R29.7Very low31Very low256 Ų256159.9 Ų159.997%0.96680%0.799SS**  trans95.4138.4-166.6-58.8157.4179.8-175.6-0111.9
345G32.7Very low31Very low71 Ų71161.8 Ų161.873%0.73280%0.798SS**  cis-114.5176.9-19.100000110.6
346H31.6Very low31.3Very low178 Ų178160.7 Ų160.782%0.82480%0.797SS**  cis68.388.426.9-96.642.8000115.3
347H34.3Very low31.5Very low160 Ų160161.4 Ų161.474%0.74180%0.797SS**  175.7137.3118.9-93.3-71.9000108.3
348H29.5Very low31.6Very low155 Ų155156.7 Ų156.772%0.71879%0.794SS**  49.1129.897.2-85.9-93.8000113.7
349D31.7Very low31.8Very low144 Ų144155.4 Ų155.477%0.7779%0.793SS**  cis-149.8172.735.2-99.7-41.4000115.7
350E29.8Very low32.1Very low160 Ų160155.2 Ų155.275%0.74880%0.797SS**  trans-70.9148.7167.2-60.518088.400113.5
351K30.4Very low32.3Very low205 Ų205150.1 Ų150.189%0.89179%0.794SS**  trans-16094.2136.8-113.4152.6-166.7162.40116.1
352V31.6Very low32.6Very low108 Ų108153 Ų15366%0.65580%0.802SS**  trans-1129.4134.5-1610000116.7
353K31.1Very low33.1Very low187 Ų187152.8 Ų152.881%0.81380%0.798SS**  175113117.8-95.1169.8-174.3179.40116.7
354S33.2Very low33.3Very low105 Ų105144.2 Ų144.273%0.73478%0.783SS**  trans69.4165.1136.882.30000118.6
355R30.9Very low33.7Very low225 Ų225142.5 Ų142.585%0.84978%0.778SS**  cis-156.9123-4.8-128.6157.9178.1-171.3-1.7105.5
356N35.6Very low34Very low138 Ų138145.3 Ų145.374%0.73878%0.781SS**  90.7150.174.1-167.423.6000114.7
357K35.4Very low34.3Very low197 Ų197141.1 Ų141.186%0.85778%0.777SS**  trans74.1144.3-175.7-51.2178.5177.3-175.80114
358G32.2Very low34.4Very low68 Ų68141.5 Ų141.570%0.70178%0.779SS**  cis-175-179.6-4.300000108.4
359T35.8Very low34.7Very low134 Ų134141.9 Ų141.982%0.82278%0.781SS**  cis-169.6161.3-1.2-40000109.3
360S35.4Very low35Very low128 Ų128139.8 Ų139.890%0.89578%0.783SS**  trans62150.4170.6550000118.4
361G34.3Very low35.2Very low78 Ų78139.4 Ų139.480%0.80479%0.787SS**  cis-150.9170.2200000114
362N34.6Very low35.7Very low162 Ų162136 Ų13687%0.86678%0.784SS**  trans-115.6-168.9-173-141.37.4000108.7
363P45.2Very low36.1Very low113 Ų113136.7 Ų136.773%0.73479%0.79SS**  cis-133.6-170.5-20.241.8-25000113.7
364G34.7Very low36.4Very low56 Ų56136.1 Ų136.158%0.57780%0.795SS**  trans161.5108.3151.200000119
365Y37.8Very low36.6Very low221 Ų221134.4 Ų134.487%0.86779%0.787SS**  trans60.9119.9155.6-48.7-74.9000118.9
366T39.4Very low36.9Very low130 Ų130131.3 Ų131.380%0.79878%0.782SS**  65.8131.754.370.20000114.4
367A37.2Very low37Very low89 Ų89131 Ų13174%0.73678%0.78SS**  cis-164.1-166-5.900000108.3
368Q37.5Very low37Very low168 Ų168126.5 Ų126.579%0.78577%0.774SS**  cis-148.5-99.66.2-169156.3-28.800115.1
369Q35.9Very low37.2Very low164 Ų164129 Ų12977%0.76678%0.78SS**  trans-154.1153.6-161.2-65.3157.9-43.700113.1
370A37.8Very low36.9Very low99 Ų99129.6 Ų129.682%0.81878%0.784SS**  trans-174.5152.6133.200000113.2
371N34.4Very low36.7Very low152 Ų152128.5 Ų128.581%0.81378%0.783SS**  trans-82.2164.6-178.6-54.7-41.7000111.8
372T39.9Very low36.6Very low135 Ų135129.6 Ų129.683%0.82878%0.784SS**  -170.116662.939.40000114
373P40.2Very low36.4Very low121 Ų121127.9 Ų127.979%0.78678%0.78SS**  trans-117.5164.1179.941.7-32.1000115.9
374L37.1Very low35.8Very low175 Ų175131.8 Ų131.892%0.91679%0.79SS**  trans-171173.3165.2-103.4165.1000110.2
375A36.6Very low35.5Very low70 Ų70136 Ų13658%0.57980%0.799SS**  -150.7179.8-91.600000111.7
376H38.9Very low35.3Very low160 Ų160131.1 Ų131.174%0.74180%0.798SS**  trans70.4150.8171.5-60.2-64.4000117.3
377N36.3Very low34.9Very low131 Ų131136.3 Ų136.370%0.70180%0.803SS**  cis-159.3-179.5-11.7-112.2-3.6000110
378S36Very low34.8Very low102 Ų102138.2 Ų138.271%0.71381%0.811SS**  175.7112-57-820000109.8
379S35.9Very low34.5Very low121 Ų121133.4 Ų133.485%0.84681%0.807SS**  trans-160.4119.5166.657.80000114.4
380T29.5Very low34.3Very low146 Ų146135 Ų13590%0.89681%0.811SS**  trans-153.3128.1173.235.80000110.2
381A32.7Very low33.9Very low106 Ų106135.7 Ų135.788%0.87681%0.806SS**  trans-173.7157.3163.100000108.1
382A32.1Very low33.7Very low100 Ų100136.2 Ų136.283%0.82680%0.803SS**  cis-140.6166.60.400000111.2
383V29.1Very low33.1Very low127 Ų127138 Ų13877%0.7780%0.802SS**  trans-111.2141.9171.21700000108.9N385V383-N385 HydrophobicContact CG1-CB 4.38Å
384M33Very low32.4Very low195 Ų195135.5 Ų135.596%0.96180%0.799SS**  trans-128.8146.5155.1-81.9-168.9169.900110.1
385N28.9Very low32.2Very low143 Ų143135.7 Ų135.777%0.76580%0.799SS**  trans-153.3129.9-165.9-177.711.5000109.1V383V383-N385 HydrophobicContact CG1-CB 4.38Å
386S34.1Very low31.7Very low119 Ų119136 Ų13683%0.83281%0.81SS**  trans-148132.1-179.9490000110.8
387R29.7Very low31.3Very low239 Ų239133 Ų13390%0.90281%0.812SS**  trans-102.9132.8-169-69.8166.9157.4177.9-7.7113.3
388S34.9Very low30.9Very low129 Ų129133.6 Ų133.690%0.90282%0.82SS**  trans170.715214351.30000109.1
389G31.5Very low30.7Very low68 Ų68135 Ų13570%0.70183%0.825SS**  cis171.9142.4-10.500000110.8
390F32.5Very low30.4Very low196 Ų196133.8 Ų133.886%0.8682%0.822SS**  trans52.6100.1164.9-81.8-97.7000121.5
391T28.3Very low30.5Very low115 Ų115137.5 Ų137.571%0.70682%0.822SS**  44.4136.312359.10000124.6
392Q30Very low30.7Very low162 Ų162138.5 Ų138.576%0.75782%0.819SS**  trans87.6120.7141.4-82.3-160.913.400122
393Q27.8Very low30.7Very low172 Ų172145.9 Ų145.980%0.80483%0.825SS**  trans60.4131.5137.5-63.1-170.58.800121.1
394G26.1Very low30.6Very low70 Ų70143.4 Ų143.472%0.72283%0.826SS**  trans87.8109.4157.300000114.8
395L32.4Very low30.6Very low178 Ų178143 Ų14393%0.93282%0.824SS**  179.4131.7123.3-96.1164.4000109.2
396G25.7Very low30.9Very low77 Ų77140.4 Ų140.479%0.79482%0.815SS**  trans-88134.8163.600000109.4
397A31.7Very low30.8Very low96 Ų96141.2 Ų141.279%0.79382%0.817SS**  trans-131114.8171.300000108.9
398V27.7Very low31Very low144 Ų144133.8 Ų133.887%0.87380%0.802SS**  trans-80.1126.9-175-179.10000110.2
399T32.1Very low30.9Very low133 Ų133133.2 Ų133.282%0.81680%0.796SS**  trans-131.7141.7160.845.60000109.8
400A29.3Very low31.3Very low95 Ų95135.2 Ų135.279%0.78579%0.79SS**PPolyproline II helixtrans-98.4142.5-15800000114.4
401Y30.9Very low31.2Very low224 Ų224130.4 Ų130.488%0.87878%0.779SS**PPolyproline II helixtrans-88.4131167.1-72.6-91.5000111.1
402P36.2Very low31.3Very low127 Ų127128.6 Ų128.683%0.82578%0.776SS**PPolyproline II helixtrans-61.5136.9160.7-20.933.9000110.7
403R32.9Very low31.4Very low254 Ų254124.2 Ų124.296%0.95877%0.767SS**PPolyproline II helixtrans-70148.7-176.3-56.2173.6-177.8170.9-0.9111.3
404G27.8Very low31.7Very low75 Ų75119.7 Ų119.777%0.77375%0.746SS**  trans-173.2-22.8172.400000123.1
405M32.2Very low32Very low187 Ų187121.8 Ų121.892%0.92174%0.74SS**  trans-163.8146.8174.9-114.6172.7-178.600113.4
406P34.6Very low31.9Very low88 Ų88116.9 Ų116.957%0.57171%0.714SS**  trans-82.2146.7179.432.6-34.6000113S408P406-S408 PolarHBondContact O-N 2.85Å
407P33.4Very low32.3Very low137 Ų137116 Ų11689%0.8969%0.693SS**THydrogen-bonded Turntrans-81.954.3-177.335.3-37.6000113.3
408S32.7Very low32.1Very low83 Ų83115.4 Ų115.458%0.5869%0.688SS**THydrogen-bonded Turntrans-115.1-12.5-179.4540000114.9P406 L410P406-S408 PolarHBondContact O-N 2.85Å; S408-L410 PolarHBondContact O-N 3.44Å
409C33Very low32.2Very low116 Ų116116.4 Ų116.478%0.78468%0.683SS**SBendtrans-100.738.8-170.4-61.10000115.3
410L39.9Very low32Very low110 Ų110111.9 Ų111.958%0.57666%0.657SS**SBendtrans-118.7-32.5-174.9-83.8161.6000117.6S408 A412 Q414S408-L410 PolarHBondContact O-N 3.44Å; L410-A412 PolarHBondContact O-N 3.11Å; L410-Q414 WeakPolarHBondContact O-CG 3.5Å
411P29.7Very low32Very low96 Ų96112.8 Ų112.862%0.62365%0.648SS**Hα-helixtrans-70.1-31-175.6-2435.3000115.8
412A31.2Very low31.9Very low77 Ų77111 Ų11164%0.63665%0.647SS**Hα-helixtrans-73.3-36.6-169.200000114.3L410L410-A412 PolarHBondContact O-N 3.11Å
413A32.7Very low31.4Very low69 Ų69110.2 Ų110.257%0.5764%0.64SS**Hα-helixtrans-83.3-26.7-178.200000113.2
414Q32.9Very low31.1Very low78 Ų78104.4 Ų104.436%0.36463%0.625SS.*Hα-helixtrans-81.7-22.7-171.5-63-162.113.100114.1L410L410-Q414 WeakPolarHBondContact O-CG 3.5Å
415N33.3Very low31Very low113 Ų113105.8 Ų105.860%0.60462%0.623SS**THydrogen-bonded Turntrans-79.3-26.7177.9-81.1-12.8000114.1V417 A418N415-V417 PolarHBondContact O-N 2.75Å; N415-A418 PolarHBondContact O-N 2.81Å
416M30.4Very low30.8Very low76 Ų76105.1 Ų105.137%0.37462%0.623SS.*G310 helixtrans-69.6-36.1-174.8-64.5178.4-174.400112.6F95 A418 Q419F95-M416 HydrophobicContact CB-SD 4.33Å; F95-M416 HydrophobicContact CD2-CE 3.4Å; F95-M416 HydrophobicContact CD2-SD 3.86Å; F95-M416 HydrophobicContact CE2-CE 3.45Å; F95-M416 VanDerWaalsContact CE2-CE 3.45Å; F95-M416 HydrophobicContact CE2-SD 4.4Å; F95-M416 HydrophobicContact CG-CE 4.18Å; F95-M416 HydrophobicContact CG-SD 4.09Å; F95-M416 HydrophobicContact CZ-CE 4.25Å; M416-A418 PolarHBondContact O-N 2.96Å; M416-A418 VanDerWaalsContact O-N 3.13Å; M416-Q419 PolarHBondContact O-N 2.98Å; M416-Q419 VanDerWaalsContact O-N 3.15Å
417V33.5Very low30.4Very low59 Ų59109.5 Ų109.536%0.35864%0.636SS.*G310 helixtrans-62.6-19.6178.3-172.60000112.4I15 N415I15-V417 WeakPolarHBondContact O-CG1 3Å; N415-V417 PolarHBondContact O-N 2.75Å
418A27.6Very low30.4Very low82 Ų82108.8 Ų108.868%0.67863%0.631SS**G310 helixtrans-90-8.6179.500000114.5N415 M416N415-A418 PolarHBondContact O-N 2.81Å; M416-A418 PolarHBondContact O-N 2.96Å; M416-A418 VanDerWaalsContact O-N 3.13Å
419Q30.2Very low30.2Very low165 Ų165112.8 Ų112.877%0.77164%0.64SS**THydrogen-bonded Turntrans-119.4-7.1-167.8-64.9-171-5.600115.6M416M416-Q419 PolarHBondContact O-N 2.98Å; M416-Q419 VanDerWaalsContact O-N 3.15Å
420S28.7Very low30.3Very low38 Ų38112.5 Ų112.527%0.26664%0.637SS.*SBendtrans-82.7-13.2176.749.70000114.7D91 Q422D91-S420 VanDerWaalsContact OD1-CB 3.29Å; D91-S420 WeakPolarHBondContact OD1-CB 3.45Å; D91-S420 PolarHBondContact OD1-OG 3.32Å; S420-Q422 PolarHBondContact O-N 2.73Å; S420-Q422 VanDerWaalsContact O-N 3.08Å
421L28.6Very low30.1Very low115 Ų115114.2 Ų114.260%0.60265%0.647SS**THydrogen-bonded Turntrans-86.851.6-169.9-67.4175.4000115.6
422Q27.9Very low30Very low185 Ų185118.9 Ų118.986%0.86466%0.66SS**THydrogen-bonded Turntrans-131.720.2172.3-75.8-161.9-9.400115.8S420S420-Q422 PolarHBondContact O-N 2.73Å; S420-Q422 VanDerWaalsContact O-N 3.08Å
423V26.9Very low30.2Very low112 Ų112124 Ų12468%0.67967%0.673SS**SBendtrans-127.562.7-174.4-159.20000115
424M25.5Very low30.3Very low131 Ų131126.4 Ų126.465%0.64569%0.686SS**SBendtrans167.362.7136.4-89.7178.9-53.600114.3R178R178-M424 VanDerWaalsContact NH2-CE 3.33Å
425S26.8Very low30.1Very low105 Ų105127.6 Ų127.673%0.73470%0.703SS**  trans-139.557.4170.362.10000113.1Q427S425-Q427 VanDerWaalsContact C-N 3.34Å; S425-Q427 PolarHBondContact O-N 2.64Å
426L26.3Very low30.3Very low173 Ų173129.7 Ų129.791%0.90671%0.714SS**  trans-72.489.2167.6-71.1175.3000109.9
427Q28.2Very low30.6Very low180 Ų180131.5 Ų131.584%0.84173%0.729SS**PPolyproline II helixtrans-73.6128.7156.5-71.6178.2-61.600108.4S425S425-Q427 VanDerWaalsContact C-N 3.34Å; S425-Q427 PolarHBondContact O-N 2.64Å
428P31.7Very low30.6Very low121 Ų121134.5 Ų134.579%0.78675%0.748SS**PPolyproline II helixtrans-67.6130.3166.8-16.931.4000110.1
429Q30.1Very low31Very low168 Ų168135.1 Ų135.179%0.78575%0.753SS**PPolyproline II helixtrans-63.2135.8162-76-78.58.700109N431Q429-N431 PolarHBondContact O-N 3.12Å; Q429-N431 VanDerWaalsContact O-N 3.16Å
430P33.8Very low31.3Very low110 Ų110135 Ų13571%0.71475%0.752SS**  trans-77.499172.830.9-31.8000109.7Q432P430-Q432 PolarHBondContact O-N 2.84Å
431N35.9Very low31.8Very low146 Ų146140.5 Ų140.578%0.78177%0.773SS**  trans-61.9119.4170.7-89.98.9000109.9Q429Q429-N431 PolarHBondContact O-N 3.12Å; Q429-N431 VanDerWaalsContact O-N 3.16Å
432Q28.7Very low32.2Very low193 Ų193142.3 Ų142.390%0.90278%0.778SS**  trans-72.1127.8164-60.71787.700108.5P430P430-Q432 PolarHBondContact O-N 2.84Å
433M35.1Very low32.6Very low184 Ų184137.5 Ų137.591%0.90677%0.77SS**  trans-134143.2160.6-84.6-169.5161.600109.5
434S34.2Very low33.2Very low121 Ų121140.3 Ų140.385%0.84678%0.776SS**  trans-83152.5-163.137.80000113.7
435S29.6Very low33.7Very low103 Ų103141.4 Ų141.472%0.7278%0.779SS**  trans-70142.3172.951.60000112.8
436N36.9Very low34.2Very low157 Ų157144.3 Ų144.384%0.8479%0.785SS**  trans-153.185.8153.4-100.5-24.4000112.8
437T35.5Very low34.6Very low113 Ų113143.2 Ų143.269%0.69378%0.775SS**  53.8101.3118.9-45.30000121.4
438V33.8Very low34.8Very low123 Ų123139.4 Ų139.475%0.74577%0.768SS**  trans68.1118.2133.8-179.20000122
439A36.6Very low35.2Very low94 Ų94142.5 Ų142.578%0.77777%0.771SS**  180112.4117.700000110.3
440H36.2Very low35.4Very low163 Ų163140.3 Ų140.376%0.75577%0.772SS**  72.598.478.6-102.3-50.8000117.1
441H40.3Very low35.5Very low153 Ų153143 Ų14371%0.70878%0.779SS**  173.6142.8109-104.7-88.6000115.3
442H36.9Very low35.3Very low154 Ų154140.4 Ų140.471%0.71377%0.772SS**  trans43.5134.7157-75.224.4000120.9
443A36.7Very low35.5Very low84 Ų84138.2 Ų138.269%0.69477%0.766SS**  cis76.5137.841.300000113.3
444Q37.9Very low35.4Very low170 Ų170134.1 Ų134.179%0.79476%0.756SS**  cis-146.7168.128.7-62.9176.8-6.400115
445H37.1Very low35.4Very low155 Ų155137.2 Ų137.272%0.71876%0.762SS**  trans17.3148.6146.6-87.1-115.7000121.8
446I37.2Very low35.5Very low166 Ų166138.5 Ų138.585%0.85177%0.765SS**  -143.8-177.153-78-179.5000112.1
447Q33.9Very low35.4Very low150 Ų150134.2 Ų134.270%0.70176%0.759SS**  trans-108.8160.7-153.4-62167.1-44.600118.2
448S33.5Very low35.4Very low100 Ų100139.3 Ų139.370%0.69977%0.767SS**  trans62.9113.7141.762.50000123.1
449H38.3Very low35.3Very low185 Ų185143.3 Ų143.386%0.85677%0.77SS**  -159.6142.4122.2-92.2-66000110
450P35.5Very low35Very low122 Ų122146.6 Ų146.679%0.79278%0.775SS**  trans-104122.7178.635.4-28.4000113.1
451I36.7Very low34.9Very low168 Ų168147.2 Ų147.286%0.86278%0.778SS**  trans-137.7150.1171.8-56.9-177.7000109.4
452S30.2Very low34.7Very low91 Ų91146.4 Ų146.464%0.63678%0.784SS**  trans-94.2175.5-176.653.10000114.2
453N33.7Very low34.6Very low147 Ų147145.6 Ų145.679%0.78679%0.789SS**  trans93.8149.5163.6-60.8-26000120.3
454S33.8Very low34.4Very low97 Ų97149.5 Ų149.568%0.67879%0.793SS**  trans60.5112159560000120.3
455L33.2Very low34.1Very low186 Ų186148.4 Ų148.497%0.97479%0.788SS**  trans-12179.4139-97.4171.3000108.7
456T32.5Very low34Very low130 Ų130147.9 Ų147.980%0.79879%0.786SS**  trans-120.4117.6169.337.90000108.1
457G33.7Very low33.9Very low68 Ų68147.9 Ų147.970%0.70178%0.782SS**  trans167.284.9178.400000114.1
458Y35.8Very low33.9Very low219 Ų219148 Ų14886%0.85979%0.788SS**SBendtrans-143.1100.3144.4-104.7-77.8000109.9
459Y32.3Very low34.1Very low207 Ų207151 Ų15181%0.81279%0.794SS**  trans58.8123.3158.9-81.8-102.6000120.8
460N30.3Very low33.8Very low164 Ų164146.9 Ų146.988%0.87779%0.786SS**  trans-14990.4168-164.511.2000108.5
461Q33.4Very low33.8Very low175 Ų175149.3 Ų149.382%0.81879%0.787SS**  trans-161.781.1179-144.8179.632.800115.4
462T37.1Very low33.7Very low137 Ų137146.9 Ų146.984%0.8479%0.785SS**  trans-145.7100.8151-29.60000112.4
463V34.8Very low34.2Very low137 Ų137148.2 Ų148.283%0.8379%0.792SS**  trans56132.9146.4-177.50000120.2
464Q30.9Very low34.4Very low166 Ų166149 Ų14978%0.77679%0.79SS**  trans-78.4154.2173.6-54.9155.5-6.700111.4
465Q32.6Very low34.5Very low147 Ų147152.2 Ų152.269%0.68780%0.799SS**  168.9137.9107.8-93.6-173.935.700113.4
466Q35.8Very low34.6Very low144 Ų144146 Ų14667%0.67378%0.781SS**  trans65.3150.3152.6-62.1-17672.100117
467Q34.4Very low34.7Very low166 Ų166147.1 Ų147.178%0.77679%0.787SS**  cis-143.21612.3-132.9166.447.900110.1
468N33.3Very low34.7Very low152 Ų152148.9 Ų148.981%0.81379%0.789SS**  trans-107.8-174.3177.5-124.6-18.8000109.6
469I37.6Very low34.7Very low163 Ų163146.8 Ų146.884%0.83679%0.787SS**  trans89.7126.4164.8-50.2179.4000116
470S31.9Very low34.9Very low98 Ų98147.3 Ų147.369%0.68579%0.793SS**  trans-119.9172.6164.156.10000109.2
471Q35.8Very low35.1Very low174 Ų174144.1 Ų144.181%0.81379%0.79SS**  trans90.895.5-179.3-51.4-178.442.600116.5
472S34.9Very low35Very low117 Ų117140.8 Ų140.882%0.81879%0.786SS**  62.1153.8106.7-54.30000119.7
473P41.3Very low35.2Very low119 Ų119140.1 Ų140.177%0.77378%0.784SS**  -130.1-169.8-110.336-14.8000113.9
474Q36.2Very low35.1Very low163 Ų163140 Ų14076%0.76278%0.784SS**  trans171146.2138.6-83.9-96.421.900110.5
475L37Very low35.3Very low164 Ų164138.1 Ų138.186%0.85979%0.787SS**  trans38.8134.3155.2-59.7160.6000120.9
476G34.4Very low35.7Very low57 Ų57136.9 Ų136.959%0.58879%0.792SS**  cis159.5146.4-5.900000113.1
477T34.5Very low35.6Very low153 Ų153135.5 Ų135.594%0.93980%0.798SS**  trans64.8151174.3680000117
478S34.7Very low35.9Very low104 Ų104135.5 Ų135.573%0.72780%0.804SS**  cis-146.8152.81.751.40000113.3
479Q34.5Very low35.8Very low176 Ų176136.1 Ų136.182%0.82280%0.804SS**  trans33.4121.4148.9-59.4177.87.400121.7
480F37.1Very low35.8Very low217 Ų217137.8 Ų137.895%0.95281%0.806SS**  -158.5169117.2-106.2-69.9000110.2
481A35.7Very low35.8Very low97 Ų97140.3 Ų140.380%0.80281%0.81SS**  trans-98.2166.5-155.800000116.8
482S30Very low35.8Very low105 Ų105139.6 Ų139.673%0.73481%0.811SS**  trans-86.9176.8178.157.10000113.4
483P40.7Very low35.8Very low124 Ų124139.8 Ų139.881%0.80580%0.802SS**  -144.9165.899.239-24.9000116
484T32.7Very low35.7Very low134 Ų134140.3 Ų140.382%0.82280%0.799SS**  trans-114.5150.1170.749.70000111
485C35.2Very low35.9Very low126 Ų126138.1 Ų138.185%0.85179%0.792SS**  trans-138.8162.6-179.9-105.40000112.1
486P41Very low36.1Very low121 Ų121137.2 Ų137.279%0.78678%0.783SS**  -131.9-173.3-117.941.8-26.3000116.3
487S34.1Very low36.4Very low115 Ų115140.3 Ų140.380%0.80479%0.786SS**  trans-72.6154.7177.9-47.60000114.4
488N41.1Very low36.5Very low167 Ų167140 Ų14089%0.89378%0.779SS**  trans-94.2144.3164.1-90.5-20.1000111.7
489M30.8Very low36.7Very low164 Ų164139.8 Ų139.881%0.80878%0.777SS**  trans-135.3151.9173-170.8-156.8-70.600108.6
490F38.2Very low36.8Very low199 Ų199136.6 Ų136.687%0.87378%0.775SS**  trans-125.3147.6165.8-97.2-89.7000111.4
491L32.3Very low36.8Very low150 Ų150130.4 Ų130.479%0.78576%0.764SS**  trans-82.1172.8-176.1-69.4155.8000110.2
492I36.3Very low37Very low160 Ų160132.9 Ų132.982%0.82176%0.763SS**  -157.512562.2-75.8162.8000113
493N34.9Very low37.5Very low121 Ų121135.4 Ų135.465%0.64777%0.769SS**  trans13.8133.6140.5-144.719.2000122.6
494N39.1Very low37.5Very low129 Ų129134.8 Ų134.869%0.6976%0.764SS**  178.8130.6108.3-90.3-22000114.8
495N38.6Very low37.8Very low118 Ų118136.3 Ų136.363%0.63177%0.766SS**  trans24.1145.2140-64.6-13.8000122.2
496H43Very low37.8Very low144 Ų144135 Ų13567%0.66776%0.758SS**  cis-164.5148.95.6-125.931.7000113.1
497N39.1Very low37.5Very low122 Ų122137.1 Ų137.165%0.65276%0.76SS**  trans51105.1141-62.9-2000124.8
498N37.9Very low37.7Very low147 Ų147138.2 Ų138.279%0.78676%0.761SS**  78.7124.9112.3-109.710.9000125.2
499S37.7Very low37.3Very low99 Ų99134.3 Ų134.369%0.69276%0.761SS**  trans61147.7138.355.30000122.4
500S36.8Very low37.4Very low110 Ų110130 Ų13077%0.76976%0.758SS**  cis-175.1153.3-17.352.70000113.2
501A38.3Very low37.2Very low87 Ų87128.5 Ų128.572%0.71976%0.759SS**  trans86.2150.6150.200000123
502N39.9Very low37.2Very low149 Ų149130.5 Ų130.580%0.79776%0.764SS**  trans82.280.2154.7-63.4-14.3000123.3
503N39.3Very low37.1Very low158 Ų158131.2 Ų131.285%0.84576%0.764SS**  63.6159.1118.2-84.5-0.4000123.3
504P41.6Very low36.9Very low110 Ų110133.3 Ų133.371%0.71477%0.77SS**  trans-117.2170.5-145.542.9-35.3000116.3
505I38Very low36.7Very low167 Ų167134.6 Ų134.686%0.85677%0.771SS**  trans-152.6146.4148.2-106.8153.3000111.9
506S35.6Very low36.5Very low99 Ų99136.3 Ų136.369%0.69278%0.776SS**  trans-14.1151.8175.475.10000125.1
507M35.2Very low36.3Very low165 Ų165134.6 Ų134.681%0.81378%0.778SS**  trans89.1127141.2-71.2-77.8-171.600122.3
508T37Very low36Very low137 Ų137136.5 Ų136.584%0.8479%0.788SS**  trans60.5116.3149.454.10000121.3
509G33.2Very low36Very low86 Ų86135.2 Ų135.289%0.88779%0.785SS**  trans128100.1148.900000116.3
510G34.2Very low35.9Very low72 Ų72138.1 Ų138.174%0.74279%0.793SS**  trans122.1118.7158.100000117.8
511L33Very low35.8Very low169 Ų169140.6 Ų140.689%0.88580%0.797SS**  trans39.399.6136.9-59.6167.9000119.7
512Q32.1Very low35.7Very low192 Ų192144.7 Ų144.790%0.89780%0.795SS**  174.6124.7119.2-97.5172.759.100113.9
513Q34.4Very low35.8Very low174 Ų174142.9 Ų142.981%0.81379%0.791SS**  trans-141.9117.1149.6-76.6-167.97.300105.9
514Q31.4Very low35.5Very low166 Ų166141.3 Ų141.378%0.77679%0.793SS**  69.4150.595.1-70.9-1670.300115.1
515Q34.6Very low35.4Very low155 Ų155143.3 Ų143.372%0.72480%0.796SS**  trans74.4146177-51.2-177.558.500113.9
516Q35Very low35.2Very low154 Ų154142.3 Ų142.372%0.7279%0.792SS**  cis-153.7171.8-10.6-116.5-176.576.700107.9
517P37.8Very low35.1Very low109 Ų109143.5 Ų143.571%0.70880%0.8SS**  trans-73.2143.1-174.530-34.4000113.6T519P517-T519 PolarHBondContact O-N 2.89Å
518N33Very low35Very low162 Ų162142.4 Ų142.487%0.86680%0.798SS**  trans-62.8113.1-177.3-79.6-25.5000113.7
519T37.6Very low34.7Very low120 Ų120141.7 Ų141.774%0.73680%0.797SS**  trans-104.6108.5162.153.10000109.7P517 L521P517-T519 PolarHBondContact O-N 2.89Å; T519-L521 PolarHBondContact O-N 2.73Å
520N36.8Very low34.7Very low159 Ų159143.2 Ų143.285%0.8579%0.789SS**PPolyproline II helixtrans-61.6125177.6-78.5-18.2000111.3
521L34.2Very low34.8Very low163 Ų163146.5 Ų146.585%0.85379%0.789SS**PPolyproline II helixtrans-71.3137.2177-7183.3000110.8T519T519-L521 PolarHBondContact O-N 2.73Å
522Y35Very low34.8Very low172 Ų172146.8 Ų146.868%0.67579%0.785SS**PPolyproline II helixtrans-77.4139152.4-85-96000108.4R274 S524R274-Y522 PolarHBondContact NH2-OH 2.77Å; Y522-S524 PolarHBondContact O-N 3.35Å
523P43.6Very low35Very low112 Ų112145.6 Ų145.673%0.72778%0.779SS**PPolyproline II helixtrans-68.2117.7170.728-32.8000109.9
524S32.5Very low35.7Very low124 Ų124143.2 Ų143.287%0.86778%0.779SS**PPolyproline II helixtrans-66.9129.9165.7-59.90000109.3Y522Y522-S524 PolarHBondContact O-N 3.35Å
525I39.3Very low35.9Very low153 Ų153140.8 Ų140.879%0.78578%0.78SS**  trans-113.8140.4172.3-63.4179.3000107.9
526D33.1Very low35.8Very low146 Ų146141.9 Ų141.978%0.78179%0.785SS**  trans-56.8135.7-154.2-60.8-81.2000117N528D526-N528 PolarHBondContact O-N 2.67Å
527S33.5Very low35.9Very low123 Ų123144 Ų14486%0.8680%0.795SS**  trans-77.691.3163.253.80000110.6
528N33Very low35.6Very low143 Ų143147.3 Ų147.377%0.76580%0.801SS**  trans-127.491.6164-105.7-39.3000110.3D526D526-N528 PolarHBondContact O-N 2.67Å
529C31.8Very low35.7Very low122 Ų122145.5 Ų145.582%0.82480%0.801SS**  trans-137.778.5171.5-163.20000108.3I531C529-I531 PolarHBondContact O-N 3.16Å; C529-I531 VanDerWaalsContact O-N 3.16Å
530T32.4Very low35.5Very low118 Ų118148 Ų14872%0.72480%0.804SS**  trans-65.4110.8-173.7-50.90000111Q532T530-Q532 PolarHBondContact O-N 3.37Å
531I36.5Very low35.5Very low141 Ų141147.7 Ų147.772%0.72380%0.803SS**  trans-74.8102.8168.1-62.3173.2000107.5C529 H533C529-I531 PolarHBondContact O-N 3.16Å; C529-I531 VanDerWaalsContact O-N 3.16Å; I531-H533 PolarHBondContact O-N 3.06Å
532Q33.5Very low35.7Very low175 Ų175146.2 Ų146.282%0.81880%0.801SS**  trans-72.3108.6167.6-75.6-173.7-22.500109.5T530T530-Q532 PolarHBondContact O-N 3.37Å
533H36.4Very low35.6Very low167 Ų167143.2 Ų143.277%0.77380%0.804SS**PPolyproline II helixtrans-72.3131.1158.5-88-100.3000109.1I531 S535I531-H533 PolarHBondContact O-N 3.06Å; H533-S535 PolarHBondContact O-N 3.23Å
534P49.2Very low35.2Very low124 Ų124143 Ų14381%0.80580%0.804SS**PPolyproline II helixtrans-61132.3162.8-2033000109.8
535S35.5Very low35.5Very low114 Ų114145.3 Ų145.380%0.79781%0.805SS**PPolyproline II helixtrans-71.7158.2176.443.90000111.9H533H533-S535 PolarHBondContact O-N 3.23Å
536Q32.8Very low35.8Very low179 Ų179143.3 Ų143.384%0.83680%0.802SS**PPolyproline II helixtrans-66.5138.4175.9-62170.8-2.700110.8
537Q36.1Very low36.2Very low197 Ų197143.2 Ų143.292%0.92181%0.807SS**  trans-126.1139.5150.5-78.6-168.1-19.300109
538Q31.4Very low36.3Very low180 Ų180146 Ų14684%0.84181%0.806SS**  trans-91.5135.8-177.5-63.5169.1-13.600109.9
539S35.9Very low36.6Very low123 Ų123145.1 Ų145.186%0.8681%0.811SS**  trans-143147.8151.858.40000108.8
540Q33.3Very low36.8Very low173 Ų173148 Ų14881%0.80881%0.813SS**  trans-99147.9-167.1-61.7167.8-5.100110.5
541N37.1Very low37.4Very low152 Ų152146.4 Ų146.481%0.81380%0.804SS**  -175.7142.1125.3-89.8-25.8000113.3
542T37.2Very low37.4Very low133 Ų133148.5 Ų148.582%0.81681%0.811SS**  trans-15.4152.9154.747.10000118
543C33.6Very low37.5Very low108 Ų108145 Ų14573%0.7381%0.806SS**  cis-169.8163.818138.10000109
544C36.1Very low37.4Very low109 Ų109141.6 Ų141.674%0.73680%0.801SS**  cis-143.5-104-3.8-77.60000112.7
545L39Very low36.7Very low171 Ų171141.9 Ų141.990%0.89580%0.801SS**  trans-146.5165.8-156.9-76.1176.6000116.6
546P45.2Very low36.7Very low111 Ų111143.6 Ų143.672%0.72180%0.801SS**  trans-118.8-172.9-168.544.7-33.7000115.3
547V41Very low36.8Very low145 Ų145141.4 Ų141.488%0.87980%0.795SS**  trans-137.5153.8166.3-176.90000110.9
548Q36.1Very low36.8Very low181 Ų181139 Ų13985%0.84679%0.788SS**  trans-120158.7-175.3-57.5169.2-36.900112.7
549S39.3Very low37.1Very low124 Ų124136.8 Ų136.887%0.86778%0.782SS**  trans-168.5160.8145.251.70000113.7
550Q35.6Very low37.1Very low183 Ų183138 Ų13886%0.85578%0.779SS**  trans-163.2-178.9-173.5-114.1-161.82300107.6
551P45.7Very low37.1Very low85 Ų85136.5 Ų136.555%0.55278%0.776SS**  cis-139.8-162.9-28.937.6-17.1000113.7
552Q35.8Very low37.1Very low185 Ų185137.5 Ų137.586%0.86478%0.776SS**  trans73.3150.8157.9-67.9174.130.400117.9
553S35.5Very low36.9Very low102 Ų102139.1 Ų139.171%0.71378%0.775SS**  cis-158.4174.112.650.30000114.7
554S34.4Very low36.8Very low95 Ų95139.9 Ų139.966%0.66478%0.776SS**  trans64.4116149.457.90000124.8
555T34.5Very low36.7Very low130 Ų130141.2 Ų141.280%0.79878%0.78SS**  trans28.9143.3130.8560000121.3
556N36.1Very low36.4Very low150 Ų150139.1 Ų139.180%0.80277%0.774SS**  cis-168-176.449.7-155.3-7.9000113.4
557N34.5Very low35.8Very low132 Ų132139.6 Ų139.671%0.70678%0.781SS**  trans-75.7141.9-176.7-67.4-36.2000116.2
558N36.5Very low35.6Very low146 Ų146143.5 Ų143.578%0.78178%0.78SS**  168.7151.2110.7-91.6-31.2000115.7
559N36.1Very low35.4Very low135 Ų135144.3 Ų144.372%0.72278%0.784SS**  trans-3124161.9-54.5-18.6000120
560N37.2Very low35.1Very low149 Ų149144.6 Ų144.680%0.79777%0.774SS**  -179.2164100.1-95.8-42.3000115.1
561N33.1Very low35Very low140 Ų140142.5 Ų142.575%0.74977%0.773SS**  trans-34.1139.6177-57.4-40.3000118
562Q36.1Very low34.3Very low173 Ų173146.7 Ų146.781%0.80879%0.786SS**  -175149114.5-98.5162.232.100114.4
563Q33.7Very low34.1Very low168 Ų168141 Ų14179%0.78578%0.776SS**  trans39109.3153.7-56.6176.914.500118.6
564V30.9Very low34.1Very low124 Ų124143.6 Ų143.675%0.75278%0.78SS**  63.8101.559.3-173.40000114.6
565V33.9Very low33.9Very low137 Ų137142.9 Ų142.983%0.8378%0.776SS**  trans-136.8116.7145.9-179.80000108.5
566T33.3Very low33.9Very low126 Ų126145 Ų14577%0.77378%0.776SS**  trans-130.3109.6174.850.80000110.9R568T566-R568 PolarHBondContact O-N 3.31Å
567S33.2Very low33.8Very low122 Ų122145.8 Ų145.885%0.85378%0.775SS**  trans-94.483.9178.3-60.40000112
568R35.3Very low33.8Very low226 Ų226145.1 Ų145.185%0.85378%0.777SS**PPolyproline II helixtrans-101.4119.3150.6-83.2-174.8174.1-178.4-0107.6T566T566-R568 PolarHBondContact O-N 3.31Å
569Q33.8Very low33.5Very low199 Ų199146.2 Ų146.293%0.9378%0.778SS**PPolyproline II helixtrans-102.1121.3156.4-87.9-176.4-28.300109
570I32.8Very low33.3Very low130 Ų130149 Ų14967%0.66779%0.787SS**PPolyproline II helixtrans-99.6134.5165-65.4170000105.7Q572I570-Q572 HydrophobicContact CG2-CG 4.06Å
571V32.9Very low32.9Very low138 Ų138149.3 Ų149.384%0.83679%0.788SS**  trans-124.9122.7159.1179.80000107
572Q30.5Very low32.8Very low174 Ų174148.1 Ų148.181%0.81379%0.791SS**  trans-111.5153.8168.7-74.3-177.9-23.400108.8I570I570-Q572 HydrophobicContact CG2-CG 4.06Å
573G32.7Very low32.3Very low65 Ų65150 Ų15067%0.6779%0.792SS**  trans149.280.2-17100000107.5
574I34.5Very low32.1Very low156 Ų156149.8 Ų149.880%0.880%0.795SS**  71.4142.670.1-56.9178000111.1
575S30.8Very low31.9Very low81 Ų81150 Ų15057%0.56679%0.791SS**  trans-42.1152-170.3460000115.5
576H34.2Very low31.7Very low174 Ų174148.8 Ų148.881%0.80679%0.785SS**  -151.515354.3-81-90.5000116.2
577H33.9Very low31.5Very low167 Ų167149.3 Ų149.377%0.77378%0.779SS**  trans-81.9151153.2-124.9-36.4000108.3
578P34.6Very low31.4Very low117 Ų117150.3 Ų150.376%0.7677%0.77SS**  -137.9179.382.835.5-20.1000115.1
579Q30.2Very low31.2Very low169 Ų169146 Ų14679%0.7976%0.764SS**  trans-59.8142.3173-58.5152.6-23.100112.1
580Q32.2Very low31Very low195 Ų195140.7 Ų140.791%0.91175%0.748SS**  trans-134.7135.8137.7-76.1-162.8-13.100109.2
581N27.4Very low30.9Very low154 Ų154141.9 Ų141.982%0.82475%0.754SS**  trans-89.9139172.6-76.4-42.6000109.6
582S31.2Very low30.7Very low116 Ų116138.6 Ų138.681%0.81175%0.749SS**  trans-148.975.7158.965.10000111.4
583Y25.5Very low30.7Very low212 Ų212138.6 Ų138.683%0.83175%0.748SS**  trans-72.3119.6156-88.3-97000108.5
584L30Very low30.5Very low163 Ų163141.3 Ų141.385%0.85375%0.752SS**  trans-164102165.3-100.5165.6000105.2
585L27.2Very low30.3Very low128 Ų128141.6 Ų141.667%0.6775%0.753SS**  cis83.295.128.1-150.893.9000114.8
586T30.2Very low30.2Very low112 Ų112141 Ų14169%0.68776%0.76SS**  trans65.1-170.3150.154.80000118.1
587Q29.4Very low30.1Very low138 Ų138136.9 Ų136.965%0.64577%0.765SS**  trans83.9128.1174-47.9-60.262.700116.1
588Q30.7Very low29.8Very low143 Ų143133 Ų13367%0.66877%0.77SS**  cis-168.3-169.5-16.7-137.6170.4-1.100111.5
589N30.2Very low29.7Very low136 Ų136131 Ų13173%0.72777%0.771SS**  trans103.4134.2156.1-55.7-37.2000117
590S30.6Very low29.7Very low86 Ų86130.9 Ų130.960%0.60178%0.775SS**  cis-158.8127.6-9.5-104.80000111.1
591I30.3Very low29.8Very low156 Ų156126.4 Ų126.480%0.877%0.766SS**  86.4123.796.3-68.8175.6000115.1
592G29.5Very low30Very low69 Ų69124.7 Ų124.771%0.71177%0.766SS**  trans107.6150.3139.100000118.2
593Q29.2Very low30.1Very low173 Ų173122 Ų12281%0.80876%0.756SS**  cis-173.8144.4-24.6-129-159.613.500108.9
594V28.7Very low30.5Very low123 Ų123118.2 Ų118.275%0.74576%0.755SS**  trans59.4136.5148.4172.90000116.7
595I29.9Very low30.7Very low162 Ų162115.8 Ų115.883%0.83175%0.747SS**  cis-134161.130.1-53.4166.9000107.6
596G29.7Very low30.9Very low68 Ų68115.9 Ų115.970%0.70175%0.748SS**  cis133.9131.1-3.300000112.9
597G30.6Very low31.3Very low88 Ų88118.1 Ų118.191%0.90775%0.751SS**  trans87.2148.5-179.500000114.8
598G29.1Very low31.5Very low86 Ų86118.7 Ų118.789%0.88775%0.753SS**  cis160.6126-7.900000112.1
599G32.4Very low31.7Very low75 Ų75118.5 Ų118.577%0.77376%0.755SS**  trans166.712117700000114.2
600N30.5Very low32Very low166 Ų166119.9 Ų119.989%0.88876%0.757SS**  trans-82179.5165.1-59.1-41.1000108.4
601S33Very low32.1Very low101 Ų101122.9 Ų122.971%0.70676%0.761SS**  cis-170.61392955.30000114.6
602S32.6Very low32.3Very low118 Ų118122.9 Ų122.983%0.82576%0.758SS**  60135.7126.773.90000124.5
603G33.5Very low32.4Very low59 Ų59126.4 Ų126.461%0.60876%0.756SS**  trans143.310316100000111.7
604T33.7Very low32.7Very low133 Ų133126.3 Ų126.382%0.81676%0.755SS**  65.1129.175.564.80000114
605T33.3Very low32.7Very low111 Ų111128.6 Ų128.668%0.68176%0.758SS**  cis-166.1156.83.76.60000112.7
606N32.6Very low33Very low130 Ų130129.1 Ų129.170%0.69576%0.761SS**  trans34.7131144.1-55.2-10.9000122.3
607H37.7Very low32.9Very low160 Ų160133.3 Ų133.374%0.74177%0.768SS**  -165.5134.597.6-92.975.4000107.5
608Q33.1Very low33.2Very low150 Ų150134.1 Ų134.170%0.70177%0.766SS**  65.4139.275.7-71.6-169.8-5.300113.8
609I35.9Very low33.1Very low138 Ų138135.1 Ų135.171%0.70876%0.759SS**  cis-152.718017-125.3156.9000113.6
610H35.8Very low33Very low166 Ų166137.9 Ų137.977%0.76976%0.761SS**  trans-44.4161.3-179.3-70.5-92.4000118.7
611H33.4Very low33.1Very low148 Ų148136 Ų13669%0.68576%0.756SS**  cis108.379.415.4-165.9-56.9000116.6
612H34.7Very low33Very low156 Ų156140.9 Ų140.972%0.72277%0.765SS**  trans-156135.1156.9-123.765.4000107.4
613Q31.3Very low33Very low143 Ų143138.8 Ų138.867%0.66876%0.762SS**  cis83.599.628.1-168.5172.11.500115.4
614Q34.9Very low32.9Very low172 Ų172143 Ų14380%0.80477%0.77SS**  -167.2162.1129.6-106.7164.261.300112
615Q30Very low33Very low170 Ų170145.8 Ų145.879%0.79477%0.774SS**  trans-109.2145.8177.1-57.9170.98.900108.7
616L35.3Very low33Very low174 Ų174145.1 Ų145.191%0.91177%0.772SS**  trans-138.5128.5156.8-77.3179.5000110.7
617N28.6Very low33.1Very low156 Ų156146 Ų14683%0.83477%0.771SS**  trans-90.7140.1162.2-65.3-53.8000108.3
618A35.4Very low32.8Very low105 Ų105145.5 Ų145.587%0.86877%0.774SS**  trans-146.1134.4160.300000109.3
619S28.3Very low32.6Very low107 Ų107144 Ų14475%0.74877%0.77SS**  trans-103.8161.9175.5-61.80000110.1
620T29.4Very low32.3Very low133 Ų133147.7 Ų147.782%0.81678%0.777SS**  trans60.4130.9164.947.90000116.1
621T33.3Very low31.9Very low127 Ų127147.8 Ų147.878%0.77978%0.777SS**  -164.7170.272.4-64.60000110.9
622F30.1Very low31.9Very low202 Ų202148.9 Ų148.989%0.88679%0.787SS**  trans-50.5149.9175.7-78.6-109.7000115
623G33.6Very low31.6Very low74 Ų74152.8 Ų152.876%0.76380%0.795SS**  trans-157.9109.1164.700000111.3
624N31.1Very low31.5Very low148 Ų148153.9 Ų153.979%0.79181%0.805SS**  trans-80.8144.1173.2-78.6-35.4000110.6
625H34.5Very low31.3Very low192 Ų192154.5 Ų154.589%0.88981%0.807SS**  trans-142.3118.3156.6-108.7-74.9000110.9
626P34.3Very low31.5Very low97 Ų97151.4 Ų151.463%0.6380%0.802SS**  trans-96.3178.7178.435.5-31.4000113.4
627H33.9Very low31.4Very low148 Ų148151.8 Ų151.869%0.68580%0.799SS**  trans71.8112.8173.6-56.8-74.9000118.3
628N32.1Very low31.6Very low150 Ų150150.5 Ų150.580%0.80280%0.797SS**  -139.7123.6107.3-111.4-34.2000109.4
629L27.8Very low31.4Very low119 Ų119154.8 Ų154.862%0.62380%0.797SS**  trans-88.7133.7169.9-85.677.1000108.4
630Y29.7Very low31.6Very low215 Ų215160.8 Ų160.884%0.84380%0.804SS**  trans-127.5105.8149.5-83-76.3000109.6
631H29.1Very low32.1Very low168 Ų168159.2 Ų159.278%0.77879%0.794SS**  trans-80.3126.2173.7-135.3-55.6000108.1
632L32.1Very low32.3Very low170 Ų170158.6 Ų158.689%0.8979%0.793SS**  trans-142153.7163.3-112.7160.6000109.9
633R29.6Very low32.5Very low239 Ų239153.9 Ų153.990%0.90279%0.791SS**  trans-88.8157.8-156.8-95.5178.7171.1161.1-3.9114
634L29.3Very low32.4Very low165 Ų165157 Ų15786%0.86480%0.796SS**  trans-53.7136.3167.4-63.2160.9000111.6
635H30.4Very low32.6Very low185 Ų185154.1 Ų154.186%0.85679%0.792SS**  trans-143.2136.4139.3-111.9-90.5000108
636P34.5Very low32.8Very low105 Ų105150.4 Ų150.468%0.68279%0.788SS**  trans-83.7-177.7175.736.4-35.9000111.7
637E32.6Very low32.8Very low182 Ų182149.5 Ų149.585%0.8580%0.796SS**  trans72.9127.9-174.8-52.4-175.9-153.800113.2
638T31.6Very low32.8Very low130 Ų130152.1 Ų152.180%0.79881%0.808SS**  cis-130.413730.936.60000113.7
639F32.4Very low32.8Very low195 Ų195151.8 Ų151.886%0.85581%0.812SS**  trans-82.1140.1162.3-96.2-103.9000109.5V641F639-V641 HydrophobicContact CD1-CG2 4.27Å
640Y32.8Very low33.3Very low232 Ų232151.5 Ų151.591%0.9182%0.82SS**  trans-123.194.8165.4-136.3-87.3000110.3
641V39.5Very low33.5Very low100 Ų100148.5 Ų148.561%0.60682%0.819SS**PPolyproline II helixtrans-88.6142.5174.8-178.60000108.5F639 A643F639-V641 HydrophobicContact CD1-CG2 4.27Å; V641-A643 PolarHBondContact O-N 3.18Å
642P37.9Very low33.9Very low114 Ų114148.7 Ų148.774%0.7482%0.824SS**PPolyproline II helixtrans-58.1128.3174-23.434.6000111.2T644P642-T644 PolarHBondContact O-N 2.88Å
643A33.8Very low34.1Very low104 Ų104147.3 Ų147.386%0.8682%0.817SS**PPolyproline II helixtrans-71.4118.2-167.800000113.6V641V641-A643 PolarHBondContact O-N 3.18Å
644T32Very low34.7Very low139 Ų139143.6 Ų143.685%0.85382%0.815SS**  trans-137.791.7161.952.80000110.3P642P642-T644 PolarHBondContact O-N 2.88Å
645A35.4Very low35Very low87 Ų87143 Ų14372%0.71981%0.813SS**  trans-149.8128.3165.400000106.7
646S38.7Very low35.4Very low115 Ų115143.1 Ų143.180%0.80481%0.814SS**  58.78950.882.20000111.2
647G33.1Very low35.4Very low77 Ų77144.5 Ų144.579%0.79482%0.816SS**  trans-80.7177.8-16200000116.3
648Q35.3Very low35.7Very low203 Ų203144.5 Ų144.595%0.94981%0.813SS**  trans-132.1155.2159.6-85.4-177.3-9.800109.1
649T32.2Very low35.9Very low144 Ų144144.3 Ų144.388%0.88381%0.812SS**  trans-106.7140.9-167.749.70000112.6
650S36.6Very low35.9Very low112 Ų112140.4 Ų140.478%0.78381%0.809SS**  trans-146.7110.1160.458.90000111.9
651N33.9Very low36.1Very low153 Ų153135.7 Ų135.782%0.81880%0.804SS**  trans26.7115.2152.5-54.1-7000119.6
652I39.1Very low36Very low172 Ų172136.4 Ų136.488%0.88281%0.811SS**  -147.5143.1127.2-100.3149.7000107.3
653N36.5Very low36Very low141 Ų141139.8 Ų139.875%0.75482%0.819SS**  trans-75.7147.4-171-57.2-27.1000112.6
654N40.3Very low36.5Very low161 Ų161141.7 Ų141.786%0.86181%0.814SS**  -165.7154.8124.6-93.6-26.8000110.6
655N36.5Very low36.7Very low153 Ų153142.8 Ų142.882%0.81881%0.813SS**  trans-75.2145.2-175.3-58.8-32.4000111.8
656E38.6Very low37.3Very low186 Ų186144.5 Ų144.587%0.86982%0.817SS**  -172.6174.597.7-98.9179.9-166.300112.3
657N35.7Very low37.2Very low135 Ų135144.7 Ų144.772%0.72282%0.819SS**  trans-89.9146.4-160.5-56.1-71.6000113.9
658F37.9Very low37.3Very low181 Ų181144.7 Ų144.779%0.79482%0.818SS**  174.1127.5100.2-104.5-80.3000115
659T36.6Very low37.5Very low127 Ų127144.6 Ų144.678%0.77982%0.818SS**  trans43127.7150.147.10000123.6
660S30.9Very low37.6Very low113 Ų113146.5 Ų146.579%0.7982%0.817SS**  trans-78.4165.1171-26.40000114.9
661T38.1Very low37.8Very low133 Ų133148.3 Ų148.382%0.81682%0.823SS**  178.1135.1127.2-72.50000110.4
662P37.2Very low38Very low115 Ų115144.4 Ų144.475%0.74782%0.818SS**  trans-85.8154.3178.334.6-35.5000113.6
663M38.3Very low37.9Very low185 Ų185140.1 Ų140.191%0.91182%0.816SS**  trans-99.5150.5179.5-98.6-70.9-78.400113.8
664I44.3Very low38.1Very low144 Ų144138.3 Ų138.374%0.73882%0.821SS**  trans-110.4152.4-168.8-64.9170.2000110.7P666I664-P666 WeakPolarHBondContact O-CD 3.11Å
665L34.9Very low38Very low162 Ų162134.1 Ų134.185%0.84882%0.816SS**  trans-64.5122.8172-83.7164.2000111.6
666P48.6Very low38.3Very low122 Ų122131.5 Ų131.579%0.79281%0.809SS**  trans-79.6141.6170.532.7-33000110.8I664I664-P666 WeakPolarHBondContact O-CD 3.11Å
667S36.6Very low38.4Very low120 Ų120130.1 Ų130.184%0.83981%0.808SS**  trans-140.7141172.8620000111.7
668G35.3Very low38.7Very low76 Ų76127.7 Ų127.778%0.78481%0.807SS**  trans83.4111166.100000117.2
669Q38.6Very low38.6Very low202 Ų202128.5 Ų128.594%0.94481%0.81SS**  -151.2161.5113.7-109172.58.700110.3
670Q35.3Very low38.8Very low184 Ų184133.6 Ų133.686%0.8682%0.815SS**  trans-106.2-167.4-170.7-66.7-176.7-20.500111.7
671V41.4Very low39.7Very low150 Ų150141.5 Ų141.591%0.90984%0.835SS**  trans80.5128.4174.8-165.90000113.8
672G38Very low39.8Very low70 Ų70141.9 Ų141.972%0.72284%0.836SS**  cis168.9133.7-9.500000113.7
673G37.2Very low39.9Very low82 Ų82143.3 Ų143.385%0.84584%0.841SS**  trans70.9176.5177.300000115.2
674A40.2Very low40Very low104 Ų104141 Ų14186%0.8684%0.837SS**  cis-164.8146.5-25.800000109.8
675G38.7Very low39.7Very low72 Ų72140.8 Ų140.874%0.74284%0.843SS**  trans79.5147.9175.900000114.9
676S42.2Very low40.1Very low98 Ų98139.5 Ų139.569%0.68584%0.842SS**  cis140.4140.9-11.453.70000107.9
677N40.9Very low39.5Very low158 Ų158140.7 Ų140.785%0.84585%0.846SS**  trans71.7143.5166.5-58.6-25.4000116.6
678A41.4Very low39.7Very low83 Ų83142.1 Ų142.169%0.68685%0.846SS**  cis-159.4161.6-13.500000112.9
679F35.9Very low40Very low199 Ų199147.2 Ų147.287%0.87385%0.851SS**  trans4.3132.6149.3-76.2-100.5000119.7
680R40.7Very low40.1Very low234 Ų234142.7 Ų142.788%0.88384%0.843SS**  -173.4134.390.9-106-177.4175.7171.80.3114.6
681K50Low40.6Very low278 Ų278138.9 Ų138.9100%1.20984%0.842SS**  trans57.20160.7-72.7-168.5170.5-172.60117.8

Retrieved 681 of 681 residues in 896.4 ms (Link to these results)

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