A0A5K4FDG8_SCHMA Loading...

protein-serine/threonine phosphatase

AlphaFold DB , UniProt , Accession A0A5K4FDG8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,457 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
1M28.3Very low48.7Very low214 Ų214109.2 Ų109.2100%1.05469%0.691SS**  0141.70-66.3173.4174.400108.9E833M1-E833 PolarHBondContact N-OE1 3.5Å
2A28.5Very low52.1Low102 Ų102102.4 Ų102.484%0.84365%0.647SS**  trans-144.9127.9165.200000106.6A4A2-A4 PolarHBondContact O-N 3.43Å
3T29.6Very low55.1Low138 Ų13898.2 Ų98.285%0.84762%0.622SS**  trans-73.4120.9-173.443.40000110.6A5T3-A5 VanDerWaalsContact C-N 3.3Å; T3-A5 PolarHBondContact O-N 2.8Å
4A29Very low57.5Low102 Ų10291.3 Ų91.384%0.84358%0.578SS**  trans-64.893164.100000108.7A2 S6A2-A4 PolarHBondContact O-N 3.43Å; A4-S6 PolarHBondContact O-N 3.27Å
5A32.6Very low59.4Low95 Ų9588.6 Ų88.679%0.78556%0.562SS**  trans-72.777.6174.200000109.2T3 S7T3-A5 VanDerWaalsContact C-N 3.3Å; T3-A5 PolarHBondContact O-N 2.8Å; A5-S7 PolarHBondContact O-N 3.04Å
6S39.5Very low61Low105 Ų10591.9 Ų91.973%0.73457%0.574SS**  trans-46.6127.9164.51790000108.6A4 S8A4-S6 PolarHBondContact O-N 3.27Å; S6-S8 VanDerWaalsContact C-N 3.32Å; S6-S8 PolarHBondContact O-N 3.08Å
7S50.9Low62.2Low54 Ų5494.5 Ų94.538%0.37858%0.583SS.*  trans-65.192.6-17839.70000109.2A5 K9 L81A5-S7 PolarHBondContact O-N 3.04Å; S7-K9 PolarHBondContact O-N 2.81Å; S7-L81 WeakPolarHBondContact O-CD1 3.33Å
8S56.5Low63Low81 Ų8189.6 Ų89.657%0.56655%0.553SS**  trans-66.2106.8-168.848.90000110S6 Q10S6-S8 VanDerWaalsContact C-N 3.32Å; S6-S8 PolarHBondContact O-N 3.08Å; S8-Q10 WeakPolarHBondContact O-CG 3.47Å; S8-Q10 PolarHBondContact O-N 3.43Å
9K71.1Confident63.6Low131 Ų13190.6 Ų90.657%0.5756%0.559SS**  trans-55.4107.6176-64.9169.3-175.2170.80108.2S7 P11 F80 L81S7-K9 PolarHBondContact O-N 2.81Å; K9-P11 WeakPolarHBondContact O-CD 3.33Å; K9-F80 CarbonylContact C-O 3.57Å; K9-F80 WeakPolarHBondContact CA-O 3.49Å; K9-L81 HydrophobicContact CG-CD1 4.13Å
10Q80.9Confident64.2Low101 Ų10188.6 Ų88.647%0.47256%0.557SS.*EExtended strand (participates in β ladder)trans-84.7117.6-176.8-65.8-170.6-12.600109.1S8 V12 F80S8-Q10 WeakPolarHBondContact O-CG 3.47Å; S8-Q10 PolarHBondContact O-N 3.43Å; Q10-V12 PolarHBondContact O-N 2.72Å; Q10-F80 PolarHBondContact N-O 3.32Å; Q10-F80 PolarHBondContact O-N 3.21Å
11P88.4Confident65Low78 Ų7889.4 Ų89.451%0.50656%0.557SS.*EExtended strand (participates in β ladder)trans-70.6122.7171.229.3-32.1000109K9 V76K9-P11 WeakPolarHBondContact O-CD 3.33Å; P11-V76 HydrophobicContact CB-CG1 3.9Å; P11-V76 HydrophobicContact CB-CG2 4.01Å
12V89.7Confident67.7Low28 Ų2879.3 Ų79.317%0.1751%0.508CS..EExtended strand (participates in β ladder)trans-96.4120172.8-178.60000107.8Q10 P56 L77 F78 F80Q10-V12 PolarHBondContact O-N 2.72Å; V12-P56 HydrophobicContact CG2-CG 4.28Å; V12-L77 PolarHBondContact O-N 2.76Å; V12-F78 HydrophobicContact CB-CD1 4.21Å; V12-F78 HydrophobicContact CB-CD2 4.12Å; V12-F78 HydrophobicContact CB-CE1 3.81Å; V12-F78 HydrophobicContact CB-CE2 3.73Å; V12-F78 HydrophobicContact CB-CG 4.35Å; V12-F78 HydrophobicContact CB-CZ 3.55Å; V12-F78 HydrophobicContact CG1-CD1 4.49Å; V12-F78 HydrophobicContact CG1-CE1 3.7Å; V12-F78 HydrophobicContact CG1-CE2 4.25Å; V12-F78 HydrophobicContact CG1-CZ 3.56Å; V12-F78 HydrophobicContact CG2-CD2 4.13Å; V12-F78 HydrophobicContact CG2-CE1 4.45Å; V12-F78 HydrophobicContact CG2-CE2 3.51Å; V12-F78 HydrophobicContact CG2-CZ 3.7Å; V12-F78 PolarHBondContact N-O 2.94Å; V12-F78 PolarHBondContact O-N 3.3Å; V12-F80 HydrophobicContact CG2-CB 4.04Å
13C91.4Very high70.5Confident48 Ų4877.5 Ų77.532%0.32449%0.486SS..EExtended strand (participates in β ladder)trans-103.3163-176.6-61.80000112.9P15 G74 C75C13-P15 WeakPolarHBondContact O-CD 3.5Å; C13-G74 PolarHBondContact SG-O 3.16Å; C13-C75 CarbonylContact C-O 3.57Å; C13-C75 WeakPolarHBondContact CA-O 3.38Å; C13-C75 WeakPolarHBondContact CB-O 3.06Å
14V88.4Confident73.5Confident1 Ų171 Ų711%0.00645%0.446CS..PPolyproline II helixtrans-56.5123.9162.3-179.50000108.8V18 L43 V71 V72 G74 C75 L77V14-V18 HydrophobicContact CG1-CB 3.72Å; V14-V18 HydrophobicContact CG1-CG1 3.89Å; V14-V18 HydrophobicContact CG1-CG2 3.75Å; V14-L43 HydrophobicContact CG1-CD1 3.96Å; V14-L43 HydrophobicContact CG2-CD1 4.18Å; V14-V71 HydrophobicContact CG2-CB 3.8Å; V14-V71 HydrophobicContact CG2-CG2 3.63Å; V14-V72 WeakPolarHBondContact CB-O 3.38Å; V14-G74 PolarHBondContact O-N 3.27Å; V14-C75 HydrophobicContact CG2-CB 4.31Å; V14-C75 PolarHBondContact N-O 3.35Å; V14-L77 HydrophobicContact CG2-CD1 4.07Å; V14-L77 HydrophobicContact CG2-CD2 3.7Å; V14-L77 HydrophobicContact CG2-CG 3.82Å
15P86.7Confident76.5Confident51 Ų5170.9 Ų70.933%0.33143%0.427SS..PPolyproline II helixtrans-60.3145.2-179.2-27.737000114.1C13 N17 V18 I53C13-P15 WeakPolarHBondContact O-CD 3.5Å; P15-N17 VanDerWaalsContact CB-OD1 3.26Å; P15-N17 WeakPolarHBondContact CB-OD1 3.44Å; P15-N17 PolarHBondContact O-N 3.03Å; P15-N17 VanDerWaalsContact O-N 3.08Å; P15-V18 HydrophobicContact CB-CG2 4.27Å; P15-V18 VanDerWaalsContact O-CB 3.31Å; P15-V18 WeakPolarHBondContact O-CB 3.27Å; P15-V18 VanDerWaalsContact O-CG2 3.31Å; P15-V18 WeakPolarHBondContact O-CG2 3.25Å; P15-V18 PolarHBondContact O-N 2.88Å; P15-I53 HydrophobicContact CG-CD1 4.24Å
16D84.7Confident79.3Confident142 Ų14267.6 Ų67.676%0.75940%0.395SS*.THydrogen-bonded Turntrans-65.2-14.3-175.7-61.2-39.1000114.7V18D16-V18 VanDerWaalsContact C-N 3.34Å
17N81.1Confident81.9Confident136 Ų13667 Ų6773%0.72738%0.379SS*.THydrogen-bonded Turntrans-85.4-4.3174.869.1-26.1000113.5P15P15-N17 VanDerWaalsContact CB-OD1 3.26Å; P15-N17 WeakPolarHBondContact CB-OD1 3.44Å; P15-N17 PolarHBondContact O-N 3.03Å; P15-N17 VanDerWaalsContact O-N 3.08Å
18V76.3Confident83.7Confident5 Ų564.9 Ų64.93%0.0336%0.364CS..  trans-75122172.4179.70000109.1V14 P15 D16 K22 I51 P73V14-V18 HydrophobicContact CG1-CB 3.72Å; V14-V18 HydrophobicContact CG1-CG1 3.89Å; V14-V18 HydrophobicContact CG1-CG2 3.75Å; P15-V18 HydrophobicContact CB-CG2 4.27Å; P15-V18 VanDerWaalsContact O-CB 3.31Å; P15-V18 WeakPolarHBondContact O-CB 3.27Å; P15-V18 VanDerWaalsContact O-CG2 3.31Å; P15-V18 WeakPolarHBondContact O-CG2 3.25Å; P15-V18 PolarHBondContact O-N 2.88Å; D16-V18 VanDerWaalsContact C-N 3.34Å; V18-K22 HydrophobicContact CG1-CD 4.41Å; V18-K22 HydrophobicContact CG1-CG 3.56Å; V18-I51 HydrophobicContact CG1-CD1 4.33Å; V18-I51 HydrophobicContact CG2-CD1 3.79Å; V18-P73 WeakPolarHBondContact O-CD 2.96Å; V18-P73 VanDerWaalsContact O-CG 3.32Å; V18-P73 WeakPolarHBondContact O-CG 3.24Å
19T75.7Confident85.2Confident110 Ų11067.9 Ų67.968%0.67537%0.368SS*.  trans-112.5146.6176.255.40000111.1
20G74Confident85.8Confident50 Ų5066.8 Ų66.852%0.51536%0.36SS..SBendtrans81.7172.7-172.100000113.3
21D81.1Confident85.9Confident106 Ų10670.3 Ų70.357%0.56737%0.369SS*.  trans-76.1134.5170.9-66.5-35.6000109T70 V72D21-T70 HydrophobicContact CB-CG2 3.77Å; D21-V72 WeakPolarHBondContact OD1-CG1 3.43Å
22K85Confident85.8Confident2 Ų270 Ų701%0.00936%0.361CS..EExtended strand (participates in β ladder)trans-118150175.5-69.1-73.1174.5179.10111V18 L43 V44 D45 S48 G49 T70 V71V18-K22 HydrophobicContact CG1-CD 4.41Å; V18-K22 HydrophobicContact CG1-CG 3.56Å; K22-L43 HydrophobicContact CB-CB 4.05Å; K22-L43 HydrophobicContact CD-CB 4.31Å; K22-L43 HydrophobicContact CG-CB 4.19Å; K22-V44 CarbonylContact C-O 3.15Å; K22-V44 WeakPolarHBondContact CA-O 3.04Å; K22-D45 HydrophobicContact CD-CB 3.75Å; K22-D45 IonicContact NZ-OD2 3.83Å; K22-S48 PolarHBondContact NZ-OG 3.41Å; K22-G49 PolarHBondContact NZ-O 3.18Å; K22-T70 CarbonylContact O-C 3.53Å; K22-T70 VanDerWaalsContact O-CA 3.29Å; K22-T70 WeakPolarHBondContact O-CA 3.45Å; K22-V71 HydrophobicContact CB-CG2 4.07Å; K22-V71 PolarHBondContact N-O 3.03Å; K22-V71 WeakPolarHBondContact O-CG2 3.45Å; K22-V71 PolarHBondContact O-N 3.28Å
23V88.6Confident85.6Confident64 Ų6471.5 Ų71.539%0.38837%0.368SS..EExtended strand (participates in β ladder)trans-98.3132.4170.7179.80000109L43 V44V23-L43 WeakPolarHBondContact O-CA 3.3Å; V23-V44 PolarHBondContact N-O 3.36Å; V23-V44 PolarHBondContact O-N 3.32Å
24V91.6Very high85.5Confident0 Ų069.4 Ų69.40%035%0.353CS..EExtended strand (participates in β ladder)trans-82.8128.6174.1-176.60000110.3W26 C41 L43 G68 A69 V71 L77V24-W26 HydrophobicContact CG1-CD2 4.1Å; V24-W26 HydrophobicContact CG1-CG 4.49Å; V24-W26 HydrophobicContact CG1-CH2 4.43Å; V24-W26 HydrophobicContact CG1-CZ2 3.81Å; V24-C41 HydrophobicContact CG1-CB 4.1Å; V24-L43 HydrophobicContact CB-CD2 4.46Å; V24-L43 HydrophobicContact CG2-CD2 3.86Å; V24-G68 WeakPolarHBondContact O-CA 3.29Å; V24-G68 PolarHBondContact O-N 3.21Å; V24-A69 PolarHBondContact N-O 2.52Å; V24-A69 VanDerWaalsContact N-O 3.08Å; V24-V71 HydrophobicContact CG2-CB 4.35Å; V24-V71 HydrophobicContact CG2-CG1 3.67Å; V24-V71 HydrophobicContact CG2-CG2 3.69Å; V24-L77 HydrophobicContact CG2-CD2 3.6Å
25H91.8Very high85.5Confident100 Ų10071.7 Ų71.746%0.46337%0.366SS..EExtended strand (participates in β ladder)trans-122.6114.2167.4-176.7-45.7000109.4C41 E42 E67H25-C41 CarbonylContact O-C 3.55Å; H25-C41 WeakPolarHBondContact O-CA 3.36Å; H25-C41 WeakPolarHBondContact O-CB 3.42Å; H25-E42 PolarHBondContact N-O 3.24Å; H25-E42 PolarHBondContact O-N 3.4Å; H25-E67 WeakPolarHBondContact CA-OE1 3.42Å; H25-E67 IonicContact CD2-OE1 3.98Å; H25-E67 IonicContact CG-OE1 3.42Å; H25-E67 IonicContact ND1-OE1 2.74Å
26W93Very high85.5Confident27 Ų2772.3 Ų72.310%0.10237%0.37CS..EExtended strand (participates in β ladder)trans-74.1152.1-179.3-63.2106.2000112.3V24 I40 C41 M64 K65 E67 L77 F78V24-W26 HydrophobicContact CG1-CD2 4.1Å; V24-W26 HydrophobicContact CG1-CG 4.49Å; V24-W26 HydrophobicContact CG1-CH2 4.43Å; V24-W26 HydrophobicContact CG1-CZ2 3.81Å; W26-I40 HydrophobicContact CE3-CG2 3.83Å; W26-I40 HydrophobicContact CZ3-CG2 3.51Å; W26-C41 HydrophobicContact CD2-CB 4.15Å; W26-C41 HydrophobicContact CE3-CB 3.65Å; W26-C41 HydrophobicContact CZ3-CB 4.02Å; W26-M64 HydrophobicContact CB-CE 4.26Å; W26-M64 HydrophobicContact CD2-CE 3.38Å; W26-M64 HydrophobicContact CE3-CE 3.51Å; W26-M64 HydrophobicContact CE3-CG 4.42Å; W26-M64 HydrophobicContact CG-CE 3.68Å; W26-M64 HydrophobicContact CH2-CB 3.94Å; W26-M64 HydrophobicContact CH2-CG 3.88Å; W26-M64 HydrophobicContact CZ2-CB 3.64Å; W26-M64 HydrophobicContact CZ2-CE 4.41Å; W26-M64 HydrophobicContact CZ2-CG 4.05Å; W26-M64 HydrophobicContact CZ3-CE 4.09Å; W26-M64 HydrophobicContact CZ3-CG 4.04Å; W26-K65 HydrophobicContact CZ2-CB 3.94Å; W26-K65 WeakPolarHBondContact CZ2-O 3.47Å; W26-K65 PolarHBondContact NE1-O 2.91Å; W26-E67 PolarHBondContact N-OE2 2.98Å; W26-L77 HydrophobicContact CH2-CB 4.28Å; W26-L77 WeakPolarHBondContact CH2-O 3.36Å; W26-F78 HydrophobicContact CH2-CB 3.95Å; W26-F78 AromaticContact CH2-CD1 3.97Å; W26-F78 HydrophobicContact CH2-CD1 3.97Å; W26-F78 HydrophobicContact CH2-CG 4.4Å; W26-F78 HydrophobicContact CZ3-CB 4.3Å; W26-F78 AromaticContact CZ3-CD1 3.88Å; W26-F78 HydrophobicContact CZ3-CD1 3.88Å; W26-F78 HydrophobicContact CZ3-CG 4.4Å
27K92.5Very high85.5Confident91 Ų9169.6 Ų69.640%0.39636%0.362SS..SBendtrans-117.8-2.3171.7-77.9170.5168.2171.60112.7S39 I40 E42 D52K27-S39 WeakPolarHBondContact CD-OG 3.34Å; K27-S39 PolarHBondContact NZ-OG 2.79Å; K27-I40 PolarHBondContact N-O 2.85Å; K27-E42 HydrophobicContact CD-CG 4.39Å; K27-E42 WeakPolarHBondContact CE-OE1 3.38Å; K27-E42 IonicContact NZ-OE1 3.36Å; K27-E42 PolarHBondContact NZ-OE1 2.95Å; K27-D52 IonicContact NZ-OD1 3.84Å; K27-D52 PolarHBondContact NZ-OD1 2.79Å
28I90.2Very high85.8Confident11 Ų1165 Ų656%0.05634%0.338CS..SBendtrans-136.6163.2-176.563.5155.1000111Q32 V34 V38 I40 V61 M64I28-Q32 HydrophobicContact CB-CB 4.33Å; I28-Q32 HydrophobicContact CB-CG 4.47Å; I28-V34 HydrophobicContact CD1-CG1 3.93Å; I28-V34 HydrophobicContact CG2-CG1 4.47Å; I28-V38 HydrophobicContact CG2-CG1 3.95Å; I28-I40 HydrophobicContact CD1-CB 4.32Å; I28-I40 HydrophobicContact CD1-CG1 4.03Å; I28-I40 HydrophobicContact CD1-CG2 3.88Å; I28-I40 HydrophobicContact CG1-CB 4.46Å; I28-I40 HydrophobicContact CG1-CG2 4.06Å; I28-V61 HydrophobicContact CD1-CB 3.61Å; I28-V61 HydrophobicContact CD1-CG1 3.89Å; I28-V61 HydrophobicContact CD1-CG2 3.56Å; I28-M64 HydrophobicContact CG1-CE 4.45Å
29H87.2Confident86.5Confident143 Ų14365.6 Ų65.666%0.66234%0.343SS*.  trans-91.8160.6175.5-56.981.3000111.7Q32H29-Q32 HydrophobicContact CB-CB 4.42Å; H29-Q32 PolarHBondContact ND1-OE1 2.85Å; H29-Q32 WeakPolarHBondContact O-CB 3.46Å; H29-Q32 PolarHBondContact O-N 2.89Å; H29-Q32 VanDerWaalsContact O-N 3.08Å
30R84.5Confident87.3Confident108 Ų10860.4 Ų60.441%0.40831%0.311SS..THydrogen-bonded Turntrans-65.7134.2173.5-178.3160.5179.3-123.33.2111.2Q32 T62 M64 D1024R30-Q32 PolarHBondContact O-N 3.4Å; R30-T62 WeakPolarHBondContact CD-O 3.25Å; R30-T62 VanDerWaalsContact CG-O 3.29Å; R30-T62 WeakPolarHBondContact CG-O 3.43Å; R30-T62 PolarHBondContact NE-O 2.9Å; R30-M64 VanDerWaalsContact CA-SD 3.53Å; R30-M64 HydrophobicContact CB-SD 3.82Å; R30-M64 HydrophobicContact CG-SD 4.33Å; R30-D1024 IonicContact CZ-OD1 2.65Å; R30-D1024 IonicContact CZ-OD2 3.15Å; R30-D1024 VanDerWaalsContact CZ-OD2 3.25Å; R30-D1024 IonicContact NH1-OD1 3.97Å; R30-D1024 IonicContact NH1-OD2 2.73Å; R30-D1024 PolarHBondContact NH1-OD2 2.98Å; R30-D1024 IonicContact NH2-OD1 2.63Å; R30-D1024 PolarHBondContact NH2-OD1 3.44Å; R30-D1024 IonicContact NH2-OD2 2.71Å; R30-D1024 PolarHBondContact NH2-OD2 3.02Å; R30-D1024 VanDerWaalsContact NH2-OD2 3.12Å
31R83.1Confident88.1Confident176 Ų17658 Ų5866%0.66429%0.287SS*.THydrogen-bonded Turntrans59.426.8-168.9-56-179.6-177173.61.8113.6W60 V61R31-W60 VanDerWaalsContact O-CZ3 3.27Å; R31-W60 WeakPolarHBondContact O-CZ3 3.45Å; R31-V61 WeakPolarHBondContact CA-O 3.44Å; R31-V61 PolarHBondContact N-O 2.79Å
32Q85.4Confident88.6Confident72 Ų7254.5 Ų54.534%0.33627%0.267SS..  trans-73.9139.3166.2-172.6165.6-19.900110.6I28 H29 R30 V61I28-Q32 HydrophobicContact CB-CB 4.33Å; I28-Q32 HydrophobicContact CB-CG 4.47Å; H29-Q32 HydrophobicContact CB-CB 4.42Å; H29-Q32 PolarHBondContact ND1-OE1 2.85Å; H29-Q32 WeakPolarHBondContact O-CB 3.46Å; H29-Q32 PolarHBondContact O-N 2.89Å; H29-Q32 VanDerWaalsContact O-N 3.08Å; R30-Q32 PolarHBondContact O-N 3.4Å; Q32-V61 PolarHBondContact O-N 3.08Å
33L86.5Confident88.9Confident59 Ų5954.4 Ų54.431%0.30927%0.267SS..EExtended strand (participates in β ladder)trans-71.1133.2169.4177.971.8000109.5W60 C96L33-W60 HydrophobicContact CB-CE3 4.19Å; L33-W60 HydrophobicContact CB-CH2 4.2Å; L33-W60 HydrophobicContact CB-CZ3 4Å; L33-W60 HydrophobicContact CD1-CD2 4.32Å; L33-W60 HydrophobicContact CD1-CZ2 4.15Å; L33-C96 HydrophobicContact CD1-CB 3.76Å
34V88.6Confident88.8Confident3 Ų353.4 Ų53.42%0.01826%0.26CS..EExtended strand (participates in β ladder)trans-131.5157.2-179.1-61.10000112.1I28 V38 I40 A55 Y58 G59 V61 F80I28-V34 HydrophobicContact CD1-CG1 3.93Å; I28-V34 HydrophobicContact CG2-CG1 4.47Å; V34-V38 HydrophobicContact CB-CB 4.34Å; V34-V38 HydrophobicContact CB-CG1 4.35Å; V34-V38 HydrophobicContact CG1-CG1 4.03Å; V34-I40 HydrophobicContact CG1-CG1 4.34Å; V34-I40 HydrophobicContact CG2-CD1 4.44Å; V34-A55 HydrophobicContact CB-CB 3.88Å; V34-A55 HydrophobicContact CG2-CB 3.55Å; V34-Y58 WeakPolarHBondContact O-CA 3.44Å; V34-G59 WeakPolarHBondContact CG2-O 3.44Å; V34-G59 PolarHBondContact N-O 3.21Å; V34-G59 PolarHBondContact O-N 3.27Å; V34-V61 HydrophobicContact CG1-CG2 4.03Å; V34-V61 HydrophobicContact CG2-CG2 3.89Å; V34-F80 HydrophobicContact CG2-CD2 4.4Å; V34-F80 HydrophobicContact CG2-CE2 3.92Å
35N88.5Confident88.1Confident50 Ų5055.4 Ų55.427%0.26727%0.271SS..  trans-133168.5173.574.853.2000109.9S37 V38 A55 Y58N35-S37 PolarHBondContact O-N 3.1Å; N35-S37 PolarHBondContact OD1-N 3.5Å; N35-S37 PolarHBondContact OD1-OG 3.46Å; N35-V38 WeakPolarHBondContact O-CB 3.42Å; N35-V38 PolarHBondContact O-N 3.08Å; N35-A55 WeakPolarHBondContact O-CB 3.43Å; N35-Y58 HydrophobicContact CB-CD1 3.52Å; N35-Y58 HydrophobicContact CB-CE1 3.42Å; N35-Y58 VanDerWaalsContact CB-CE1 3.42Å; N35-Y58 HydrophobicContact CB-CG 4.22Å
36P85.7Confident86.9Confident63 Ų6358.9 Ų58.941%0.40929%0.293SS..THydrogen-bonded Turntrans-60.3-15.5-172.7-26.636.1000117.5Y58P36-Y58 HydrophobicContact CG-CD2 4.27Å; P36-Y58 HydrophobicContact CG-CE2 4.21Å
37S85Confident85.6Confident86 Ų8662.1 Ų62.160%0.60133%0.325SS*.THydrogen-bonded Turntrans-89.9-17.2173.971.30000113.3N35 S39N35-S37 PolarHBondContact O-N 3.1Å; N35-S37 PolarHBondContact OD1-N 3.5Å; N35-S37 PolarHBondContact OD1-OG 3.46Å; S37-S39 PolarHBondContact O-N 3.39Å
38V88.1Confident84.2Confident38 Ų3861 Ų6123%0.2333%0.329CS..  trans-70.2124.4178.6178.10000110.6I28 V34 N35 R54 A55I28-V38 HydrophobicContact CG2-CG1 3.95Å; V34-V38 HydrophobicContact CB-CB 4.34Å; V34-V38 HydrophobicContact CB-CG1 4.35Å; V34-V38 HydrophobicContact CG1-CG1 4.03Å; N35-V38 WeakPolarHBondContact O-CB 3.42Å; N35-V38 PolarHBondContact O-N 3.08Å; V38-R54 WeakPolarHBondContact O-CA 3.47Å; V38-A55 PolarHBondContact O-N 2.9Å
39S90.8Very high83.2Confident19 Ų1962.2 Ų62.213%0.13334%0.344CS..EExtended strand (participates in β ladder)trans-79.3130.6164.3179.40000110.1K27 S37 D52K27-S39 WeakPolarHBondContact CD-OG 3.34Å; K27-S39 PolarHBondContact NZ-OG 2.79Å; S37-S39 PolarHBondContact O-N 3.39Å; S39-D52 WeakPolarHBondContact CB-OD1 3.38Å; S39-D52 PolarHBondContact OG-OD1 3.45Å
40I91.8Very high83Confident0 Ų064 Ų640%035%0.345CS..EExtended strand (participates in β ladder)trans-96-44.3-174.4-72.5174.6000110.7W26 K27 I28 V34 I53 A55 V61 F78W26-I40 HydrophobicContact CE3-CG2 3.83Å; W26-I40 HydrophobicContact CZ3-CG2 3.51Å; K27-I40 PolarHBondContact N-O 2.85Å; I28-I40 HydrophobicContact CD1-CB 4.32Å; I28-I40 HydrophobicContact CD1-CG1 4.03Å; I28-I40 HydrophobicContact CD1-CG2 3.88Å; I28-I40 HydrophobicContact CG1-CB 4.46Å; I28-I40 HydrophobicContact CG1-CG2 4.06Å; V34-I40 HydrophobicContact CG1-CG1 4.34Å; V34-I40 HydrophobicContact CG2-CD1 4.44Å; I40-I53 WeakPolarHBondContact CB-O 3.35Å; I40-I53 PolarHBondContact N-O 3.38Å; I40-A55 VanDerWaalsContact CD1-CA 3.47Å; I40-A55 HydrophobicContact CD1-CB 3.77Å; I40-A55 HydrophobicContact CG1-CB 4.45Å; I40-V61 HydrophobicContact CD1-CG2 3.71Å; I40-V61 HydrophobicContact CG1-CG2 4.31Å; I40-F78 HydrophobicContact CB-CE1 4.39Å; I40-F78 HydrophobicContact CD1-CE1 4.07Å; I40-F78 HydrophobicContact CD1-CE2 3.72Å; I40-F78 HydrophobicContact CD1-CZ 3.37Å; I40-F78 HydrophobicContact CG2-CD1 3.92Å; I40-F78 HydrophobicContact CG2-CE1 3.67Å; I40-F78 HydrophobicContact CG2-CZ 4.07Å
41C91.8Very high83.1Confident0 Ų061.6 Ų61.60%034%0.34CS..EExtended strand (participates in β ladder)trans-155.2156.9176.155.90000111.7V24 H25 W26 I53V24-C41 HydrophobicContact CG1-CB 4.1Å; H25-C41 CarbonylContact O-C 3.55Å; H25-C41 WeakPolarHBondContact O-CA 3.36Å; H25-C41 WeakPolarHBondContact O-CB 3.42Å; W26-C41 HydrophobicContact CD2-CB 4.15Å; W26-C41 HydrophobicContact CE3-CB 3.65Å; W26-C41 HydrophobicContact CZ3-CB 4.02Å; C41-I53 PolarHBondContact N-O 3.14Å; C41-I53 PolarHBondContact O-N 3.29Å
42E91.2Very high83.4Confident33 Ų3356.1 Ų56.115%0.15432%0.324CS..EExtended strand (participates in β ladder)trans-98.6137163.2-67.6-176.2177.800109.7H25 K27 V44 R50 I51H25-E42 PolarHBondContact N-O 3.24Å; H25-E42 PolarHBondContact O-N 3.4Å; K27-E42 HydrophobicContact CD-CG 4.39Å; K27-E42 WeakPolarHBondContact CE-OE1 3.38Å; K27-E42 IonicContact NZ-OE1 3.36Å; K27-E42 PolarHBondContact NZ-OE1 2.95Å; E42-V44 HydrophobicContact CB-CG2 4.14Å; E42-R50 WeakPolarHBondContact OE2-CD 3.2Å; E42-R50 IonicContact OE2-CZ 3.25Å; E42-R50 IonicContact OE2-NE 3.59Å; E42-R50 IonicContact OE2-NH1 2.72Å; E42-R50 PolarHBondContact OE2-NH1 2.88Å; E42-I51 WeakPolarHBondContact CA-O 3.45Å
43L90.5Very high83.7Confident0 Ų053.4 Ų53.40%031%0.311CS..EExtended strand (participates in β ladder)trans-99.4116.2166.7-54.1-178.2000108.6V14 K22 V23 V24 R50 I51 I53 V71 L77V14-L43 HydrophobicContact CG1-CD1 3.96Å; V14-L43 HydrophobicContact CG2-CD1 4.18Å; K22-L43 HydrophobicContact CB-CB 4.05Å; K22-L43 HydrophobicContact CD-CB 4.31Å; K22-L43 HydrophobicContact CG-CB 4.19Å; V23-L43 WeakPolarHBondContact O-CA 3.3Å; V24-L43 HydrophobicContact CB-CD2 4.46Å; V24-L43 HydrophobicContact CG2-CD2 3.86Å; L43-R50 CarbonylContact O-C 3.42Å; L43-R50 WeakPolarHBondContact O-CA 3.21Å; L43-I51 HydrophobicContact CB-CB 4.27Å; L43-I51 PolarHBondContact N-O 3.26Å; L43-I51 PolarHBondContact O-N 3.16Å; L43-I53 HydrophobicContact CD1-CD1 3.96Å; L43-I53 HydrophobicContact CD1-CG1 3.98Å; L43-I53 HydrophobicContact CG-CD1 4.38Å; L43-I53 HydrophobicContact CG-CG1 3.9Å; L43-V71 HydrophobicContact CD2-CG2 4.17Å; L43-L77 HydrophobicContact CD1-CD1 4.33Å; L43-L77 HydrophobicContact CD2-CD1 4.22Å; L43-L77 HydrophobicContact CD2-CD2 3.91Å
44V86.4Confident83.9Confident42 Ų4257.1 Ų57.126%0.25532%0.321SS..EExtended strand (participates in β ladder)trans-114.4143.6-171.3-173.10000110.9K22 V23 E42 R50K22-V44 CarbonylContact C-O 3.15Å; K22-V44 WeakPolarHBondContact CA-O 3.04Å; V23-V44 PolarHBondContact N-O 3.36Å; V23-V44 PolarHBondContact O-N 3.32Å; E42-V44 HydrophobicContact CB-CG2 4.14Å; V44-R50 HydrophobicContact CG1-CG 4.47Å; V44-R50 HydrophobicContact CG2-CG 4.18Å
45D77.8Confident83.9Confident42 Ų4257.3 Ų57.323%0.22532%0.323CS..  trans-146145.3162.8140.861.5000108.6K22 A47 S48 G49K22-D45 HydrophobicContact CD-CB 3.75Å; K22-D45 IonicContact NZ-OD2 3.83Å; D45-A47 VanDerWaalsContact CG-N 3.33Å; D45-A47 PolarHBondContact O-N 3.08Å; D45-A47 PolarHBondContact OD1-N 3.08Å; D45-A47 PolarHBondContact OD2-N 3.15Å; D45-S48 VanDerWaalsContact OD2-CB 3.24Å; D45-S48 WeakPolarHBondContact OD2-CB 3.32Å; D45-S48 PolarHBondContact OD2-N 2.93Å; D45-S48 PolarHBondContact OD2-OG 2.87Å; D45-G49 PolarHBondContact O-N 2.85Å
46D66.6Low83.8Confident174 Ų17458.5 Ų58.593%0.9333%0.334SS*.THydrogen-bonded Turntrans-57.8-27.6-178.3-62.8-26.6000113.1
47A65.9Low83.9Confident94 Ų9456.3 Ų56.378%0.77732%0.322SS*.THydrogen-bonded Turntrans-99.9-30.7-17400000115.4D45D45-A47 VanDerWaalsContact CG-N 3.33Å; D45-A47 PolarHBondContact O-N 3.08Å; D45-A47 PolarHBondContact OD1-N 3.08Å; D45-A47 PolarHBondContact OD2-N 3.15Å
48S61.9Low84.1Confident68 Ų6856.4 Ų56.448%0.47631%0.31SS..THydrogen-bonded Turntrans-126.96.9-166.768.60000116.2K22 D45K22-S48 PolarHBondContact NZ-OG 3.41Å; D45-S48 VanDerWaalsContact OD2-CB 3.24Å; D45-S48 WeakPolarHBondContact OD2-CB 3.32Å; D45-S48 PolarHBondContact OD2-N 2.93Å; D45-S48 PolarHBondContact OD2-OG 2.87Å
49G69.8Low84.1Confident36 Ų3654.6 Ų54.637%0.37130%0.299SS..  trans82.9179168.800000115.7K22 D45K22-G49 PolarHBondContact NZ-O 3.18Å; D45-G49 PolarHBondContact O-N 2.85Å
50R82.6Confident84Confident180 Ų18058.4 Ų58.468%0.67931%0.311SS*.  trans-91.8141.4-169.5-45.2-160.9-167179.70.6112.5E42 L43 V44E42-R50 WeakPolarHBondContact OE2-CD 3.2Å; E42-R50 IonicContact OE2-CZ 3.25Å; E42-R50 IonicContact OE2-NE 3.59Å; E42-R50 IonicContact OE2-NH1 2.72Å; E42-R50 PolarHBondContact OE2-NH1 2.88Å; L43-R50 CarbonylContact O-C 3.42Å; L43-R50 WeakPolarHBondContact O-CA 3.21Å; V44-R50 HydrophobicContact CG1-CG 4.47Å; V44-R50 HydrophobicContact CG2-CG 4.18Å
51I86.9Confident83.9Confident59 Ų5958.4 Ų58.430%0.30331%0.311SS..EExtended strand (participates in β ladder)trans-122.5120.6177.2-54.1177.1000109.2V18 E42 L43 I53V18-I51 HydrophobicContact CG1-CD1 4.33Å; V18-I51 HydrophobicContact CG2-CD1 3.79Å; E42-I51 WeakPolarHBondContact CA-O 3.45Å; L43-I51 HydrophobicContact CB-CB 4.27Å; L43-I51 PolarHBondContact N-O 3.26Å; L43-I51 PolarHBondContact O-N 3.16Å; I51-I53 HydrophobicContact CG2-CD1 4.25Å
52D90.1Very high83.7Confident60 Ų6059.6 Ų59.632%0.32132%0.318SS..EExtended strand (participates in β ladder)trans-85.8109.6-175.9-166.559.1000110.6K27 S39 R54K27-D52 IonicContact NZ-OD1 3.84Å; K27-D52 PolarHBondContact NZ-OD1 2.79Å; S39-D52 WeakPolarHBondContact CB-OD1 3.38Å; S39-D52 PolarHBondContact OG-OD1 3.45Å; D52-R54 IonicContact OD2-CZ 2.9Å; D52-R54 IonicContact OD2-NE 3.49Å; D52-R54 PolarHBondContact OD2-NE 3.14Å; D52-R54 IonicContact OD2-NH2 3.3Å; D52-R54 PolarHBondContact OD2-NH2 3.2Å
53I91Very high83.4Confident15 Ų1561.7 Ų61.78%0.07733%0.327CS..EExtended strand (participates in β ladder)trans-93.9119.5178.2-55.7-62.2000109P15 I40 C41 L43 I51 L77 F78P15-I53 HydrophobicContact CG-CD1 4.24Å; I40-I53 WeakPolarHBondContact CB-O 3.35Å; I40-I53 PolarHBondContact N-O 3.38Å; C41-I53 PolarHBondContact N-O 3.14Å; C41-I53 PolarHBondContact O-N 3.29Å; L43-I53 HydrophobicContact CD1-CD1 3.96Å; L43-I53 HydrophobicContact CD1-CG1 3.98Å; L43-I53 HydrophobicContact CG-CD1 4.38Å; L43-I53 HydrophobicContact CG-CG1 3.9Å; I51-I53 HydrophobicContact CG2-CD1 4.25Å; I53-L77 HydrophobicContact CG1-CD1 4.14Å; I53-L77 HydrophobicContact CG2-CD1 4.31Å; I53-F78 HydrophobicContact CG2-CE1 4Å
54R91.4Very high83.4Confident138 Ų13863.9 Ų63.952%0.52134%0.337SS..EExtended strand (participates in β ladder)trans-106.1165.2-177.2-62.7-172.6178.7-153.1-7.5113V38 D52V38-R54 WeakPolarHBondContact O-CA 3.47Å; D52-R54 IonicContact OD2-CZ 2.9Å; D52-R54 IonicContact OD2-NE 3.49Å; D52-R54 PolarHBondContact OD2-NE 3.14Å; D52-R54 IonicContact OD2-NH2 3.3Å; D52-R54 PolarHBondContact OD2-NH2 3.2Å
55A88.5Confident83.6Confident7 Ų765 Ų656%0.05834%0.339CS..  trans-65.7137.9175.200000111.9V34 N35 V38 I40 G57V34-A55 HydrophobicContact CB-CB 3.88Å; V34-A55 HydrophobicContact CG2-CB 3.55Å; N35-A55 WeakPolarHBondContact O-CB 3.43Å; V38-A55 PolarHBondContact O-N 2.9Å; I40-A55 VanDerWaalsContact CD1-CA 3.47Å; I40-A55 HydrophobicContact CD1-CB 3.77Å; I40-A55 HydrophobicContact CG1-CB 4.45Å; A55-G57 PolarHBondContact O-N 3Å
56P86.6Confident84.2Confident75 Ų7569 Ų6949%0.48736%0.36SS..SBendtrans-76.4-7177.232.6-36.8000113.5V12 F80V12-P56 HydrophobicContact CG2-CG 4.28Å; P56-F80 HydrophobicContact CG-CB 4.17Å; P56-F80 HydrophobicContact CG-CD1 3.55Å; P56-F80 HydrophobicContact CG-CD2 3.97Å; P56-F80 HydrophobicContact CG-CE1 3.82Å; P56-F80 HydrophobicContact CG-CE2 4.23Å; P56-F80 HydrophobicContact CG-CG 3.62Å; P56-F80 HydrophobicContact CG-CZ 4.15Å
57G86.4Confident85.3Confident17 Ų1765.7 Ų65.718%0.17534%0.339CS..SBendtrans-177.1-172.3-175.900000112A55A55-G57 PolarHBondContact O-N 3Å
58Y88.9Confident86.4Confident87 Ų8763.1 Ų63.134%0.34132%0.322SS..SBendtrans-79.7126.8165.1-71.2-96.4000109.7V34 N35 P36 C83 C96 A98V34-Y58 WeakPolarHBondContact O-CA 3.44Å; N35-Y58 HydrophobicContact CB-CD1 3.52Å; N35-Y58 HydrophobicContact CB-CE1 3.42Å; N35-Y58 VanDerWaalsContact CB-CE1 3.42Å; N35-Y58 HydrophobicContact CB-CG 4.22Å; P36-Y58 HydrophobicContact CG-CD2 4.27Å; P36-Y58 HydrophobicContact CG-CE2 4.21Å; Y58-C83 PolarHBondContact O-N 3.15Å; Y58-C96 WeakPolarHBondContact CD1-O 3.38Å; Y58-A98 HydrophobicContact CD1-CB 3.71Å; Y58-A98 HydrophobicContact CD2-CB 3.84Å; Y58-A98 HydrophobicContact CE1-CB 3.9Å; Y58-A98 HydrophobicContact CE2-CB 4.04Å; Y58-A98 HydrophobicContact CG-CB 3.67Å
59G88.5Confident87.7Confident0 Ų060.7 Ų60.70%031%0.306CS..EExtended strand (participates in β ladder)trans165.6-161-176.300000113.7V34 L81V34-G59 WeakPolarHBondContact CG2-O 3.44Å; V34-G59 PolarHBondContact N-O 3.21Å; V34-G59 PolarHBondContact O-N 3.27Å; G59-L81 CarbonylContact C-O 3.54Å; G59-L81 VanDerWaalsContact CA-O 3.22Å; G59-L81 WeakPolarHBondContact CA-O 3.29Å
60W89.4Confident88.6Confident100 Ų10063.1 Ų63.138%0.37931%0.314SS..EExtended strand (participates in β ladder)trans-118.1138.1-171.8-5887000111.6R31 L33 T62 L81R31-W60 VanDerWaalsContact O-CZ3 3.27Å; R31-W60 WeakPolarHBondContact O-CZ3 3.45Å; L33-W60 HydrophobicContact CB-CE3 4.19Å; L33-W60 HydrophobicContact CB-CH2 4.2Å; L33-W60 HydrophobicContact CB-CZ3 4Å; L33-W60 HydrophobicContact CD1-CD2 4.32Å; L33-W60 HydrophobicContact CD1-CZ2 4.15Å; W60-T62 HydrophobicContact CB-CG2 4.37Å; W60-L81 HydrophobicContact CB-CB 4.4Å; W60-L81 PolarHBondContact N-O 3.36Å; W60-L81 PolarHBondContact O-N 3.45Å
61V89.5Confident88.9Confident0 Ų054.6 Ų54.60%028%0.282CS..EExtended strand (participates in β ladder)trans-93119.8170.4178.20000109.4I28 R31 Q32 V34 I40 M64 F78I28-V61 HydrophobicContact CD1-CB 3.61Å; I28-V61 HydrophobicContact CD1-CG1 3.89Å; I28-V61 HydrophobicContact CD1-CG2 3.56Å; R31-V61 WeakPolarHBondContact CA-O 3.44Å; R31-V61 PolarHBondContact N-O 2.79Å; Q32-V61 PolarHBondContact O-N 3.08Å; V34-V61 HydrophobicContact CG1-CG2 4.03Å; V34-V61 HydrophobicContact CG2-CG2 3.89Å; I40-V61 HydrophobicContact CD1-CG2 3.71Å; I40-V61 HydrophobicContact CG1-CG2 4.31Å; V61-M64 HydrophobicContact CG1-CG 3.74Å; V61-M64 HydrophobicContact CG1-SD 3.97Å; V61-F78 HydrophobicContact CB-CD2 4.4Å; V61-F78 HydrophobicContact CG1-CB 3.76Å; V61-F78 HydrophobicContact CG1-CD2 3.7Å; V61-F78 HydrophobicContact CG1-CG 3.86Å; V61-F78 HydrophobicContact CG2-CD2 4.01Å; V61-F78 HydrophobicContact CG2-CE2 4.04Å
62T87.1Confident89Confident25 Ų2554.8 Ų54.815%0.15329%0.286CS..EExtended strand (participates in β ladder)trans-108.7-72.7-162.961.40000114.9R30 W60 N79 L81R30-T62 WeakPolarHBondContact CD-O 3.25Å; R30-T62 VanDerWaalsContact CG-O 3.29Å; R30-T62 WeakPolarHBondContact CG-O 3.43Å; R30-T62 PolarHBondContact NE-O 2.9Å; W60-T62 HydrophobicContact CB-CG2 4.37Å; T62-N79 PolarHBondContact N-O 3.46Å; T62-N79 WeakPolarHBondContact OG1-CB 3.35Å; T62-N79 PolarHBondContact OG1-O 3Å; T62-L81 HydrophobicContact CG2-CB 4.07Å
63K85.8Confident88.8Confident76 Ų7654.5 Ų54.533%0.3329%0.287SS..EExtended strand (participates in β ladder)trans-88.1145.7166.7-60.7-177.1-172.31760108.6F78 N79 D1026K63-F78 CarbonylContact O-C 3.49Å; K63-F78 WeakPolarHBondContact O-CA 3.39Å; K63-F78 WeakPolarHBondContact O-CB 3.38Å; K63-N79 HydrophobicContact CB-CB 4.25Å; K63-N79 PolarHBondContact O-N 2.81Å; K63-D1026 WeakPolarHBondContact CE-OD1 3.46Å; K63-D1026 WeakPolarHBondContact CE-OD2 3.48Å; K63-D1026 IonicContact NZ-OD1 2.71Å; K63-D1026 PolarHBondContact NZ-OD1 3.36Å; K63-D1026 IonicContact NZ-OD2 3.78Å; K63-D1026 PolarHBondContact NZ-OD2 2.88Å
64M90.4Very high88.6Confident46 Ų4655.8 Ų55.823%0.22730%0.303CS..EExtended strand (participates in β ladder)trans-137.6146.7178.5-73.115573.700108.5W26 I28 R30 V61 L77 F78W26-M64 HydrophobicContact CB-CE 4.26Å; W26-M64 HydrophobicContact CD2-CE 3.38Å; W26-M64 HydrophobicContact CE3-CE 3.51Å; W26-M64 HydrophobicContact CE3-CG 4.42Å; W26-M64 HydrophobicContact CG-CE 3.68Å; W26-M64 HydrophobicContact CH2-CB 3.94Å; W26-M64 HydrophobicContact CH2-CG 3.88Å; W26-M64 HydrophobicContact CZ2-CB 3.64Å; W26-M64 HydrophobicContact CZ2-CE 4.41Å; W26-M64 HydrophobicContact CZ2-CG 4.05Å; W26-M64 HydrophobicContact CZ3-CE 4.09Å; W26-M64 HydrophobicContact CZ3-CG 4.04Å; I28-M64 HydrophobicContact CG1-CE 4.45Å; R30-M64 VanDerWaalsContact CA-SD 3.53Å; R30-M64 HydrophobicContact CB-SD 3.82Å; R30-M64 HydrophobicContact CG-SD 4.33Å; V61-M64 HydrophobicContact CG1-CG 3.74Å; V61-M64 HydrophobicContact CG1-SD 3.97Å; M64-L77 CarbonylContact C-O 3.51Å; M64-L77 WeakPolarHBondContact CA-O 3.48Å; M64-F78 HydrophobicContact CG-CB 4.09Å
65K90.2Very high88.5Confident66 Ų6651 Ų5129%0.28729%0.291SS..PPolyproline II helixtrans-58155.4159.3-93.5-94.3-169.9162.80110.5W26 A69 T70 V71 V76 L77W26-K65 HydrophobicContact CZ2-CB 3.94Å; W26-K65 WeakPolarHBondContact CZ2-O 3.47Å; W26-K65 PolarHBondContact NE1-O 2.91Å; K65-A69 HydrophobicContact CD-CB 3.92Å; K65-T70 PolarHBondContact NZ-O 3.29Å; K65-V71 HydrophobicContact CD-CG1 3.97Å; K65-V71 HydrophobicContact CG-CG1 4.38Å; K65-V76 WeakPolarHBondContact CG-O 3.4Å; K65-L77 PolarHBondContact N-O 2.92Å
66D90.8Very high88.6Confident125 Ų12553.7 Ų53.767%0.66831%0.307SS*.PPolyproline II helixtrans-64.2150.7175.1-44.6-78000111.9A69D66-A69 HydrophobicContact CB-CB 4.3Å; D66-A69 WeakPolarHBondContact O-CB 3.14Å; D66-A69 PolarHBondContact O-N 2.82Å
67E90.3Very high88.9Confident105 Ų10550.2 Ų50.249%0.49128%0.284SS..THydrogen-bonded Turntrans-62.1137.1171.5179.858.6-151.900110.1H25 W26 A69H25-E67 WeakPolarHBondContact CA-OE1 3.42Å; H25-E67 IonicContact CD2-OE1 3.98Å; H25-E67 IonicContact CG-OE1 3.42Å; H25-E67 IonicContact ND1-OE1 2.74Å; W26-E67 PolarHBondContact N-OE2 2.98Å; E67-A69 PolarHBondContact O-N 3.37Å
68G88.2Confident89.1Confident40 Ų4049.5 Ų49.541%0.41228%0.276SS..THydrogen-bonded Turntrans72.83.2-175.500000114.9V24 T70V24-G68 WeakPolarHBondContact O-CA 3.29Å; V24-G68 PolarHBondContact O-N 3.21Å; G68-T70 PolarHBondContact O-N 2.8Å
69A89Confident89.2Confident18 Ų1846.6 Ų46.615%0.14927%0.266CS..  trans-66.4132.6-179.700000112.1V24 K65 D66 E67V24-A69 PolarHBondContact N-O 2.52Å; V24-A69 VanDerWaalsContact N-O 3.08Å; K65-A69 HydrophobicContact CD-CB 3.92Å; D66-A69 HydrophobicContact CB-CB 4.3Å; D66-A69 WeakPolarHBondContact O-CB 3.14Å; D66-A69 PolarHBondContact O-N 2.82Å; E67-A69 PolarHBondContact O-N 3.37Å
70T89Confident89.3Confident86 Ų8646.9 Ų46.953%0.52827%0.267SS..EExtended strand (participates in β ladder)trans-70.5137.3170.1-40.60000110.8D21 K22 K65 G68D21-T70 HydrophobicContact CB-CG2 3.77Å; K22-T70 CarbonylContact O-C 3.53Å; K22-T70 VanDerWaalsContact O-CA 3.29Å; K22-T70 WeakPolarHBondContact O-CA 3.45Å; K65-T70 PolarHBondContact NZ-O 3.29Å; G68-T70 PolarHBondContact O-N 2.8Å
71V89.4Confident89.3Confident2 Ų244.1 Ų44.11%0.01226%0.26CS..EExtended strand (participates in β ladder)trans-139.9149.4-178.8-65.80000111.7V14 K22 V24 L43 K65 C75 L77V14-V71 HydrophobicContact CG2-CB 3.8Å; V14-V71 HydrophobicContact CG2-CG2 3.63Å; K22-V71 HydrophobicContact CB-CG2 4.07Å; K22-V71 PolarHBondContact N-O 3.03Å; K22-V71 WeakPolarHBondContact O-CG2 3.45Å; K22-V71 PolarHBondContact O-N 3.28Å; V24-V71 HydrophobicContact CG2-CB 4.35Å; V24-V71 HydrophobicContact CG2-CG1 3.67Å; V24-V71 HydrophobicContact CG2-CG2 3.69Å; L43-V71 HydrophobicContact CD2-CG2 4.17Å; K65-V71 HydrophobicContact CD-CG1 3.97Å; K65-V71 HydrophobicContact CG-CG1 4.38Å; V71-C75 HydrophobicContact CB-CB 4.27Å; V71-C75 HydrophobicContact CG1-CB 4.43Å; V71-L77 HydrophobicContact CG1-CD2 4.16Å; V71-L77 HydrophobicContact CG2-CD2 4.24Å
72V87.7Confident89.2Confident63 Ų6346.3 Ų46.338%0.38227%0.274SS..  trans-117.2160.3175.7-670000109.6V14 D21 G74 C75V14-V72 WeakPolarHBondContact CB-O 3.38Å; D21-V72 WeakPolarHBondContact OD1-CG1 3.43Å; V72-G74 PolarHBondContact O-N 3.36Å; V72-C75 VanDerWaalsContact CG2-SG 3.52Å; V72-C75 VanDerWaalsContact O-CB 3.3Å; V72-C75 WeakPolarHBondContact O-CB 3.28Å; V72-C75 PolarHBondContact O-N 2.86Å; V72-C75 VanDerWaalsContact O-N 3.08Å
73P87Confident89.3Confident54 Ų5445.9 Ų45.935%0.35127%0.272SS..THydrogen-bonded Turntrans-45.7138.4170.918.3-34.3000112.7V18 C75V18-P73 WeakPolarHBondContact O-CD 2.96Å; V18-P73 VanDerWaalsContact O-CG 3.32Å; V18-P73 WeakPolarHBondContact O-CG 3.24Å; P73-C75 VanDerWaalsContact C-N 3.3Å; P73-C75 PolarHBondContact O-N 3.43Å
74G86.4Confident89.3Confident41 Ų4145 Ų4542%0.42327%0.273SS..THydrogen-bonded Turntrans81.8-13-176.100000115.9C13 V14 V72 V76C13-G74 PolarHBondContact SG-O 3.16Å; V14-G74 PolarHBondContact O-N 3.27Å; V72-G74 PolarHBondContact O-N 3.36Å; G74-V76 PolarHBondContact O-N 3.37Å
75C89.5Confident89.3Confident38 Ų3843.8 Ų43.826%0.25727%0.267SS..  trans-65.5132.7173.5-82.90000111.8C13 V14 V71 V72 P73 L77C13-C75 CarbonylContact C-O 3.57Å; C13-C75 WeakPolarHBondContact CA-O 3.38Å; C13-C75 WeakPolarHBondContact CB-O 3.06Å; V14-C75 HydrophobicContact CG2-CB 4.31Å; V14-C75 PolarHBondContact N-O 3.35Å; V71-C75 HydrophobicContact CB-CB 4.27Å; V71-C75 HydrophobicContact CG1-CB 4.43Å; V72-C75 VanDerWaalsContact CG2-SG 3.52Å; V72-C75 VanDerWaalsContact O-CB 3.3Å; V72-C75 WeakPolarHBondContact O-CB 3.28Å; V72-C75 PolarHBondContact O-N 2.86Å; V72-C75 VanDerWaalsContact O-N 3.08Å; P73-C75 VanDerWaalsContact C-N 3.3Å; P73-C75 PolarHBondContact O-N 3.43Å; C75-L77 PolarHBondContact O-N 2.87Å
76V90.7Very high89.2Confident64 Ų6443.1 Ų43.139%0.38827%0.265SS..EExtended strand (participates in β ladder)trans-61.9126.5169.7-1740000109.4P11 K65 G74P11-V76 HydrophobicContact CB-CG1 3.9Å; P11-V76 HydrophobicContact CB-CG2 4.01Å; K65-V76 WeakPolarHBondContact CG-O 3.4Å; G74-V76 PolarHBondContact O-N 3.37Å
77L92.1Very high89.1Confident1 Ų138.9 Ų38.91%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-90.2-51.3171.7-67.4171.2000110.1V12 V14 V24 W26 L43 I53 M64 K65 V71 C75V12-L77 PolarHBondContact O-N 2.76Å; V14-L77 HydrophobicContact CG2-CD1 4.07Å; V14-L77 HydrophobicContact CG2-CD2 3.7Å; V14-L77 HydrophobicContact CG2-CG 3.82Å; V24-L77 HydrophobicContact CG2-CD2 3.6Å; W26-L77 HydrophobicContact CH2-CB 4.28Å; W26-L77 WeakPolarHBondContact CH2-O 3.36Å; L43-L77 HydrophobicContact CD1-CD1 4.33Å; L43-L77 HydrophobicContact CD2-CD1 4.22Å; L43-L77 HydrophobicContact CD2-CD2 3.91Å; I53-L77 HydrophobicContact CG1-CD1 4.14Å; I53-L77 HydrophobicContact CG2-CD1 4.31Å; M64-L77 CarbonylContact C-O 3.51Å; M64-L77 WeakPolarHBondContact CA-O 3.48Å; K65-L77 PolarHBondContact N-O 2.92Å; V71-L77 HydrophobicContact CG1-CD2 4.16Å; V71-L77 HydrophobicContact CG2-CD2 4.24Å; C75-L77 PolarHBondContact O-N 2.87Å
78F91.3Very high89Confident2 Ų233.9 Ų33.91%0.00922%0.22CC..EExtended strand (participates in β ladder)trans-153.4163.5-178.661.3-87.7000112.9V12 W26 I40 I53 V61 K63 M64 F80V12-F78 HydrophobicContact CB-CD1 4.21Å; V12-F78 HydrophobicContact CB-CD2 4.12Å; V12-F78 HydrophobicContact CB-CE1 3.81Å; V12-F78 HydrophobicContact CB-CE2 3.73Å; V12-F78 HydrophobicContact CB-CG 4.35Å; V12-F78 HydrophobicContact CB-CZ 3.55Å; V12-F78 HydrophobicContact CG1-CD1 4.49Å; V12-F78 HydrophobicContact CG1-CE1 3.7Å; V12-F78 HydrophobicContact CG1-CE2 4.25Å; V12-F78 HydrophobicContact CG1-CZ 3.56Å; V12-F78 HydrophobicContact CG2-CD2 4.13Å; V12-F78 HydrophobicContact CG2-CE1 4.45Å; V12-F78 HydrophobicContact CG2-CE2 3.51Å; V12-F78 HydrophobicContact CG2-CZ 3.7Å; V12-F78 PolarHBondContact N-O 2.94Å; V12-F78 PolarHBondContact O-N 3.3Å; W26-F78 HydrophobicContact CH2-CB 3.95Å; W26-F78 AromaticContact CH2-CD1 3.97Å; W26-F78 HydrophobicContact CH2-CD1 3.97Å; W26-F78 HydrophobicContact CH2-CG 4.4Å; W26-F78 HydrophobicContact CZ3-CB 4.3Å; W26-F78 AromaticContact CZ3-CD1 3.88Å; W26-F78 HydrophobicContact CZ3-CD1 3.88Å; W26-F78 HydrophobicContact CZ3-CG 4.4Å; I40-F78 HydrophobicContact CB-CE1 4.39Å; I40-F78 HydrophobicContact CD1-CE1 4.07Å; I40-F78 HydrophobicContact CD1-CE2 3.72Å; I40-F78 HydrophobicContact CD1-CZ 3.37Å; I40-F78 HydrophobicContact CG2-CD1 3.92Å; I40-F78 HydrophobicContact CG2-CE1 3.67Å; I40-F78 HydrophobicContact CG2-CZ 4.07Å; I53-F78 HydrophobicContact CG2-CE1 4Å; V61-F78 HydrophobicContact CB-CD2 4.4Å; V61-F78 HydrophobicContact CG1-CB 3.76Å; V61-F78 HydrophobicContact CG1-CD2 3.7Å; V61-F78 HydrophobicContact CG1-CG 3.86Å; V61-F78 HydrophobicContact CG2-CD2 4.01Å; V61-F78 HydrophobicContact CG2-CE2 4.04Å; K63-F78 CarbonylContact O-C 3.49Å; K63-F78 WeakPolarHBondContact O-CA 3.39Å; K63-F78 WeakPolarHBondContact O-CB 3.38Å; M64-F78 HydrophobicContact CG-CB 4.09Å; F78-F80 HydrophobicContact CD2-CB 4.42Å; F78-F80 HydrophobicContact CE2-CB 4.12Å
79N91.5Very high88.9Confident27 Ų2732.9 Ų32.914%0.14421%0.205CC..EExtended strand (participates in β ladder)trans-100.8117.4170.3-78.47.8000110.5T62 K63T62-N79 PolarHBondContact N-O 3.46Å; T62-N79 WeakPolarHBondContact OG1-CB 3.35Å; T62-N79 PolarHBondContact OG1-O 3Å; K63-N79 HydrophobicContact CB-CB 4.25Å; K63-N79 PolarHBondContact O-N 2.81Å
80F89.8Confident88.7Confident5 Ų536.9 Ų36.92%0.02222%0.219CC..EExtended strand (participates in β ladder)trans-87.5138173.8-177.9-108.4000111.5K9 Q10 V12 V34 P56 F78 P82K9-F80 CarbonylContact C-O 3.57Å; K9-F80 WeakPolarHBondContact CA-O 3.49Å; Q10-F80 PolarHBondContact N-O 3.32Å; Q10-F80 PolarHBondContact O-N 3.21Å; V12-F80 HydrophobicContact CG2-CB 4.04Å; V34-F80 HydrophobicContact CG2-CD2 4.4Å; V34-F80 HydrophobicContact CG2-CE2 3.92Å; P56-F80 HydrophobicContact CG-CB 4.17Å; P56-F80 HydrophobicContact CG-CD1 3.55Å; P56-F80 HydrophobicContact CG-CD2 3.97Å; P56-F80 HydrophobicContact CG-CE1 3.82Å; P56-F80 HydrophobicContact CG-CE2 4.23Å; P56-F80 HydrophobicContact CG-CG 3.62Å; P56-F80 HydrophobicContact CG-CZ 4.15Å; F78-F80 HydrophobicContact CD2-CB 4.42Å; F78-F80 HydrophobicContact CE2-CB 4.12Å; F80-P82 HydrophobicContact CE1-CB 3.84Å
81L89.3Confident88.5Confident42 Ų4233 Ų3322%0.2220%0.195CC..EExtended strand (participates in β ladder)trans-118.7107.4171.9-176.367.5000108.6S7 K9 G59 W60 T62S7-L81 WeakPolarHBondContact O-CD1 3.33Å; K9-L81 HydrophobicContact CG-CD1 4.13Å; G59-L81 CarbonylContact C-O 3.54Å; G59-L81 VanDerWaalsContact CA-O 3.22Å; G59-L81 WeakPolarHBondContact CA-O 3.29Å; W60-L81 HydrophobicContact CB-CB 4.4Å; W60-L81 PolarHBondContact N-O 3.36Å; W60-L81 PolarHBondContact O-N 3.45Å; T62-L81 HydrophobicContact CG2-CB 4.07Å
82P88.2Confident88.5Confident47 Ų4733.5 Ų33.531%0.30520%0.197SC..EExtended strand (participates in β ladder)trans-63.5147.2179.126.1-34.1000111.4F80F80-P82 HydrophobicContact CE1-CB 3.84Å
83C88.1Confident88.6Confident16 Ų1630.5 Ų30.511%0.10818%0.179CC..  trans-69.4136.6171.8-169.60000111Y58 H85 C96Y58-C83 PolarHBondContact O-N 3.15Å; C83-H85 PolarHBondContact SG-N 3.12Å; C83-C96 HydrophobicContact CB-CB 3.93Å; C83-C96 PolarHBondContact SG-SG 3.08Å
84T87.4Confident88.7Confident58 Ų5829.6 Ų29.636%0.35618%0.176SC..  trans-95.7-5.8179.831.60000113.4H86 S115T84-H86 WeakPolarHBondContact CB-NE2 3.24Å; T84-H86 PolarHBondContact OG1-CD2 3.12Å; T84-H86 PolarHBondContact OG1-NE2 3.4Å; T84-S115 WeakPolarHBondContact O-CB 3.49Å; T84-S115 PolarHBondContact O-N 2.88Å; T84-S115 PolarHBondContact O-OG 2.95Å
85H89.1Confident88.6Confident20 Ų2030.8 Ų30.89%0.09317%0.171CC..  trans53.556.8177.1-46.6-57.3000112.5C83 V87 V88 C93 E95 C96 L100 A114 S115 A116C83-H85 PolarHBondContact SG-N 3.12Å; H85-V87 VanDerWaalsContact C-N 3.3Å; H85-V88 HydrophobicContact CB-CG2 3.97Å; H85-C93 HydrophobicContact CB-CB 4.35Å; H85-C93 WeakPolarHBondContact ND1-CB 3.38Å; H85-C93 PolarHBondContact ND1-SG 3.07Å; H85-E95 VanDerWaalsContact CA-OE2 3.24Å; H85-E95 WeakPolarHBondContact CA-OE2 3.44Å; H85-E95 PolarHBondContact N-OE2 3.44Å; H85-C96 VanDerWaalsContact CE1-SG 3.55Å; H85-L100 HydrophobicContact CB-CD1 4.11Å; H85-A114 HydrophobicContact CB-CB 3.79Å; H85-S115 PolarHBondContact O-OG 2.87Å; H85-A116 VanDerWaalsContact O-CB 3.22Å; H85-A116 WeakPolarHBondContact O-CB 3.37Å; H85-A116 PolarHBondContact O-N 3.44Å
86H88.5Confident88.6Confident52 Ų5229.4 Ų29.424%0.24116%0.162CC..  trans-69.7-23.1177.9-67.4-74.5000113.3T84 E95 S115 V129 S130 V133T84-H86 WeakPolarHBondContact CB-NE2 3.24Å; T84-H86 PolarHBondContact OG1-CD2 3.12Å; T84-H86 PolarHBondContact OG1-NE2 3.4Å; H86-E95 WeakPolarHBondContact CB-OE1 3.24Å; H86-E95 IonicContact CD2-OE1 3.25Å; H86-E95 PolarHBondContact CD2-OE1 3.16Å; H86-E95 IonicContact CD2-OE2 2.94Å; H86-E95 IonicContact CG-OE1 3.12Å; H86-E95 PolarHBondContact N-OE2 3.19Å; H86-S115 WeakPolarHBondContact CA-OG 3.37Å; H86-S115 PolarHBondContact N-OG 2.82Å; H86-S115 PolarHBondContact ND1-OG 2.96Å; H86-V129 CarbonylContact O-C 3.59Å; H86-V129 WeakPolarHBondContact O-CA 3.19Å; H86-S130 PolarHBondContact ND1-OG 3.26Å; H86-S130 PolarHBondContact O-N 3.28Å; H86-V133 HydrophobicContact CB-CG2 4Å
87V89.5Confident88.3Confident35 Ų3528.9 Ų28.921%0.21217%0.169CC..EExtended strand (participates in β ladder)trans-130.8123.7174.7-1760000109.7H85 C93 A94 L127 V129 V133H85-V87 VanDerWaalsContact C-N 3.3Å; V87-C93 WeakPolarHBondContact O-CA 3.3Å; V87-A94 HydrophobicContact CB-CB 4.2Å; V87-A94 HydrophobicContact CG1-CB 3.87Å; V87-A94 PolarHBondContact O-N 2.88Å; V87-L127 HydrophobicContact CG1-CD1 3.87Å; V87-V129 HydrophobicContact CG1-CG1 4.43Å; V87-V129 HydrophobicContact CG2-CG1 4.21Å; V87-V133 HydrophobicContact CG2-CG1 4.44Å
88V87.6Confident88.1Confident0 Ų028.9 Ų28.90%017%0.169CC..EExtended strand (participates in β ladder)trans-139.2127.6-177.3175.90000110.5H85 L92 C93 L100 A114 A116 H128H85-V88 HydrophobicContact CB-CG2 3.97Å; V88-L92 WeakPolarHBondContact CA-O 3.4Å; V88-C93 HydrophobicContact CG2-CB 4.33Å; V88-L100 HydrophobicContact CG1-CD1 4.23Å; V88-L100 HydrophobicContact CG2-CD1 3.75Å; V88-A114 HydrophobicContact CG2-CB 4.05Å; V88-A116 HydrophobicContact CB-CB 3.7Å; V88-A116 HydrophobicContact CG2-CB 3.59Å; V88-H128 PolarHBondContact N-O 2.89Å; V88-H128 PolarHBondContact O-N 2.84Å
89M86.6Confident87.9Confident20 Ų2032.8 Ų32.810%0.09919%0.19CC..EExtended strand (participates in β ladder)trans-123.3130.5173-171-173.2-65.400108.7D91 L92 L127 L1105M89-D91 PolarHBondContact O-N 2.83Å; M89-D91 VanDerWaalsContact O-N 3.13Å; M89-L92 PolarHBondContact N-O 2.82Å; M89-L92 PolarHBondContact O-N 2.93Å; M89-L127 HydrophobicContact CB-CD1 4.27Å; M89-L127 HydrophobicContact CE-CB 4.12Å; M89-L127 HydrophobicContact CE-CD1 3.94Å; M89-L127 HydrophobicContact CE-CD2 4.04Å; M89-L127 HydrophobicContact CE-CG 4.25Å; M89-L1105 HydrophobicContact CE-CD2 3.77Å; M89-L1105 HydrophobicContact SD-CD2 3.81Å
90K83.7Confident87.7Confident102 Ų10231.7 Ų31.744%0.44318%0.184SC..THydrogen-bonded Turntrans49.438.9-178.2-64.9-179.9177.2177.60114.1L92 R101 E126K90-L92 HydrophobicContact CB-CD1 4.49Å; K90-L92 PolarHBondContact O-N 2.84Å; K90-R101 PolarHBondContact O-NH2 3.18Å; K90-E126 WeakPolarHBondContact CE-OE2 3.2Å; K90-E126 HydrophobicContact CG-CB 4.31Å; K90-E126 WeakPolarHBondContact CG-OE2 3.33Å
91D85.5Confident87.4Confident3 Ų334.7 Ų34.72%0.01620%0.195CC..THydrogen-bonded Turntrans64.26.5-173.2-48.9-55.1000116M89 L100 R101 S107 G108 R110M89-D91 PolarHBondContact O-N 2.83Å; M89-D91 VanDerWaalsContact O-N 3.13Å; D91-L100 WeakPolarHBondContact O-CA 3.32Å; D91-L100 WeakPolarHBondContact O-CB 3.32Å; D91-L100 VanDerWaalsContact O-CG 3.26Å; D91-L100 WeakPolarHBondContact O-CG 3.45Å; D91-L100 PolarHBondContact O-N 3.04Å; D91-R101 HydrophobicContact CB-CB 3.92Å; D91-R101 IonicContact OD2-CZ 2.7Å; D91-R101 IonicContact OD2-NE 2.96Å; D91-R101 PolarHBondContact OD2-NE 3.46Å; D91-R101 IonicContact OD2-NH2 2.68Å; D91-R101 PolarHBondContact OD2-NH2 3.06Å; D91-S107 WeakPolarHBondContact OD2-CA 3.5Å; D91-G108 PolarHBondContact OD1-N 2.67Å; D91-G108 PolarHBondContact OD2-N 2.94Å; D91-R110 HydrophobicContact CB-CG 4.38Å; D91-R110 WeakPolarHBondContact OD1-CG 3.3Å; D91-R110 IonicContact OD1-CZ 2.82Å; D91-R110 IonicContact OD1-NE 2.78Å; D91-R110 PolarHBondContact OD1-NE 3.12Å; D91-R110 IonicContact OD1-NH2 3.26Å
92L88.5Confident87Confident14 Ų1440 Ų407%0.07321%0.212CC..EExtended strand (participates in β ladder)trans-97129.9172-68.9123.8000110.2V88 M89 K90 N99 A1106V88-L92 WeakPolarHBondContact CA-O 3.4Å; M89-L92 PolarHBondContact N-O 2.82Å; M89-L92 PolarHBondContact O-N 2.93Å; K90-L92 HydrophobicContact CB-CD1 4.49Å; K90-L92 PolarHBondContact O-N 2.84Å; L92-N99 HydrophobicContact CD2-CB 3.72Å; L92-N99 HydrophobicContact CG-CB 4.33Å; L92-A1106 HydrophobicContact CB-CB 3.7Å; L92-A1106 WeakPolarHBondContact CB-O 3.48Å; L92-A1106 WeakPolarHBondContact CD1-O 3.4Å
93C90.4Very high86.3Confident0 Ų047 Ų470%024%0.241CC..EExtended strand (participates in β ladder)trans-81.8119.5-179.6179.30000111.3H85 V87 V88 E95 G97 A98H85-C93 HydrophobicContact CB-CB 4.35Å; H85-C93 WeakPolarHBondContact ND1-CB 3.38Å; H85-C93 PolarHBondContact ND1-SG 3.07Å; V87-C93 WeakPolarHBondContact O-CA 3.3Å; V88-C93 HydrophobicContact CG2-CB 4.33Å; C93-E95 PolarHBondContact O-N 3.3Å; C93-G97 WeakPolarHBondContact O-CA 3.25Å; C93-G97 PolarHBondContact O-N 2.89Å; C93-A98 HydrophobicContact CB-CB 4.36Å; C93-A98 PolarHBondContact N-O 3.45Å
94A88.5Confident85.6Confident35 Ų3550.5 Ų50.529%0.28928%0.28SS..THydrogen-bonded Turntrans-69.8-19-17900000113.6V87V87-A94 HydrophobicContact CB-CB 4.2Å; V87-A94 HydrophobicContact CG1-CB 3.87Å; V87-A94 PolarHBondContact O-N 2.88Å
95E86Confident84.7Confident66 Ų6648.7 Ų48.731%0.30827%0.273SS..THydrogen-bonded Turntrans-83.8-29.4-179.2-56.1175.1111.900113.7H85 H86 C93H85-E95 VanDerWaalsContact CA-OE2 3.24Å; H85-E95 WeakPolarHBondContact CA-OE2 3.44Å; H85-E95 PolarHBondContact N-OE2 3.44Å; H86-E95 WeakPolarHBondContact CB-OE1 3.24Å; H86-E95 IonicContact CD2-OE1 3.25Å; H86-E95 PolarHBondContact CD2-OE1 3.16Å; H86-E95 IonicContact CD2-OE2 2.94Å; H86-E95 IonicContact CG-OE1 3.12Å; H86-E95 PolarHBondContact N-OE2 3.19Å; C93-E95 PolarHBondContact O-N 3.3Å
96C87.6Confident83.8Confident9 Ų952 Ų526%0.06129%0.29CS..THydrogen-bonded Turntrans-1360.4-172.369.10000115.5L33 Y58 C83 H85 A98L33-C96 HydrophobicContact CD1-CB 3.76Å; Y58-C96 WeakPolarHBondContact CD1-O 3.38Å; C83-C96 HydrophobicContact CB-CB 3.93Å; C83-C96 PolarHBondContact SG-SG 3.08Å; H85-C96 VanDerWaalsContact CE1-SG 3.55Å; C96-A98 PolarHBondContact O-N 2.8Å; C96-A98 WeakPolarHBondContact SG-CB 3.14Å
97G85.8Confident82.8Confident52 Ų5251.4 Ų51.454%0.53629%0.292SS..  trans695.4-177.600000114.8C93 N99C93-G97 WeakPolarHBondContact O-CA 3.25Å; C93-G97 PolarHBondContact O-N 2.89Å; G97-N99 PolarHBondContact O-N 3Å
98A86.4Confident81.6Confident2 Ų252.2 Ų52.22%0.01731%0.307CS..  trans-66.3119.7179.500000110.8Y58 C93 C96 L100Y58-A98 HydrophobicContact CD1-CB 3.71Å; Y58-A98 HydrophobicContact CD2-CB 3.84Å; Y58-A98 HydrophobicContact CE1-CB 3.9Å; Y58-A98 HydrophobicContact CE2-CB 4.04Å; Y58-A98 HydrophobicContact CG-CB 3.67Å; C93-A98 HydrophobicContact CB-CB 4.36Å; C93-A98 PolarHBondContact N-O 3.45Å; C96-A98 PolarHBondContact O-N 2.8Å; C96-A98 WeakPolarHBondContact SG-CB 3.14Å; A98-L100 HydrophobicContact CB-CD2 3.82Å; A98-L100 PolarHBondContact O-N 3.43Å
99N87.3Confident80.9Confident83 Ų8355.5 Ų55.544%0.44432%0.322SS..BIsolated β-bridgetrans-73.9111.9163.8-169.3-24.4000108.5L92 G97 R101L92-N99 HydrophobicContact CD2-CB 3.72Å; L92-N99 HydrophobicContact CG-CB 4.33Å; G97-N99 PolarHBondContact O-N 3Å; N99-R101 WeakPolarHBondContact OD1-CB 3.38Å; N99-R101 PolarHBondContact OD1-N 3.19Å
100L87.6Confident80.4Confident5 Ų557.5 Ų57.53%0.02633%0.329CS..  trans-88.2-10.7-178-47.5-179000112H85 V88 D91 A98 R110 I111 A114H85-L100 HydrophobicContact CB-CD1 4.11Å; V88-L100 HydrophobicContact CG1-CD1 4.23Å; V88-L100 HydrophobicContact CG2-CD1 3.75Å; D91-L100 WeakPolarHBondContact O-CA 3.32Å; D91-L100 WeakPolarHBondContact O-CB 3.32Å; D91-L100 VanDerWaalsContact O-CG 3.26Å; D91-L100 WeakPolarHBondContact O-CG 3.45Å; D91-L100 PolarHBondContact O-N 3.04Å; A98-L100 HydrophobicContact CB-CD2 3.82Å; A98-L100 PolarHBondContact O-N 3.43Å; L100-R110 HydrophobicContact CB-CB 4.5Å; L100-R110 HydrophobicContact CB-CG 4.32Å; L100-R110 CarbonylContact O-C 3.54Å; L100-R110 WeakPolarHBondContact O-CA 3.33Å; L100-I111 WeakPolarHBondContact O-CG1 3.35Å; L100-I111 PolarHBondContact O-N 2.64Å; L100-A114 HydrophobicContact CD1-CB 3.83Å
101R84.8Confident79.8Confident67 Ų6757.7 Ų57.725%0.25333%0.334SS..BIsolated β-bridgetrans-70.8139.9179.8-168.8176-65.5139.54.6110.5K90 D91 N99 S107 I111K90-R101 PolarHBondContact O-NH2 3.18Å; D91-R101 HydrophobicContact CB-CB 3.92Å; D91-R101 IonicContact OD2-CZ 2.7Å; D91-R101 IonicContact OD2-NE 2.96Å; D91-R101 PolarHBondContact OD2-NE 3.46Å; D91-R101 IonicContact OD2-NH2 2.68Å; D91-R101 PolarHBondContact OD2-NH2 3.06Å; N99-R101 WeakPolarHBondContact OD1-CB 3.38Å; N99-R101 PolarHBondContact OD1-N 3.19Å; R101-S107 PolarHBondContact NH2-OG 2.84Å; R101-I111 WeakPolarHBondContact O-CD1 3.35Å
102R80.7Confident79.1Confident154 Ų15460.7 Ų60.758%0.58135%0.352SS*.PPolyproline II helixtrans-61.1139.8171.7-171.2175.1-60.5-158.8-0.1110.9G104 G105 E109 I111R102-G104 PolarHBondContact O-N 2.98Å; R102-G104 VanDerWaalsContact O-N 3.15Å; R102-G105 WeakPolarHBondContact O-CA 3.34Å; R102-G105 PolarHBondContact O-N 2.76Å; R102-E109 WeakPolarHBondContact CB-O 3.41Å; R102-E109 PolarHBondContact N-O 2.99Å; R102-I111 HydrophobicContact CB-CG1 4.09Å
103E73.7Confident78.2Confident195 Ų19568.1 Ų68.191%0.91139%0.392SS*.THydrogen-bonded Turntrans-55.1119.4170.9-170175-152.100110.3G105E103-G105 VanDerWaalsContact C-N 3.28Å; E103-G105 PolarHBondContact O-N 3.32Å
104G72.4Confident77.4Confident89 Ų8969.1 Ų69.192%0.91840%0.4SS*.THydrogen-bonded Turntrans74.14.1-173.500000116.4R102R102-G104 PolarHBondContact O-N 2.98Å; R102-G104 VanDerWaalsContact O-N 3.15Å
105G69.6Low77.1Confident20 Ų2069.5 Ų69.521%0.20640%0.401CS..PPolyproline II helixtrans-79.7168173.900000113.5R102 E103R102-G105 WeakPolarHBondContact O-CA 3.34Å; R102-G105 PolarHBondContact O-N 2.76Å; E103-G105 VanDerWaalsContact C-N 3.28Å; E103-G105 PolarHBondContact O-N 3.32Å
106I69.4Low76.8Confident90 Ų9066.4 Ų66.446%0.46239%0.386SS..PPolyproline II helixtrans-89.7169.5172.559.6171.5000112.1G108 E109I106-G108 PolarHBondContact O-N 3.25Å; I106-E109 HydrophobicContact CG1-CB 4.47Å; I106-E109 HydrophobicContact CG1-CG 3.77Å; I106-E109 PolarHBondContact N-OE2 3.24Å; I106-E109 PolarHBondContact O-N 3.13Å
107S66.5Low76.4Confident39 Ų3969.7 Ų69.727%0.27341%0.41SS..THydrogen-bonded Turntrans-53.3130.1172.8-1550000110.9D91 R101 E1346D91-S107 WeakPolarHBondContact OD2-CA 3.5Å; R101-S107 PolarHBondContact NH2-OG 2.84Å; S107-E1346 WeakPolarHBondContact CB-OE1 3.43Å
108G65.7Low75.9Confident51 Ų5168.3 Ų68.353%0.52639%0.39SS..THydrogen-bonded Turntrans86.2-11.8-173.900000116.3D91 I106 R110D91-G108 PolarHBondContact OD1-N 2.67Å; D91-G108 PolarHBondContact OD2-N 2.94Å; I106-G108 PolarHBondContact O-N 3.25Å; G108-R110 VanDerWaalsContact C-N 3.25Å; G108-R110 PolarHBondContact O-N 3.5Å
109E72.3Confident75.4Confident70 Ų7069.6 Ų69.633%0.32740%0.397SS..  trans-81.670.2173-73.3-173.1152.700111.2R102 I106 R852R102-E109 WeakPolarHBondContact CB-O 3.41Å; R102-E109 PolarHBondContact N-O 2.99Å; I106-E109 HydrophobicContact CG1-CB 4.47Å; I106-E109 HydrophobicContact CG1-CG 3.77Å; I106-E109 PolarHBondContact N-OE2 3.24Å; I106-E109 PolarHBondContact O-N 3.13Å; E109-R852 IonicContact OE1-NH2 2.7Å; E109-R852 PolarHBondContact OE1-NH2 2.96Å
110R76.4Confident74.6Confident61 Ų6167.1 Ų67.123%0.2338%0.384CS..BIsolated β-bridgetrans-70.1150-177.8-60.7-179-173.7166.23.9113D91 L100 G108 A116D91-R110 HydrophobicContact CB-CG 4.38Å; D91-R110 WeakPolarHBondContact OD1-CG 3.3Å; D91-R110 IonicContact OD1-CZ 2.82Å; D91-R110 IonicContact OD1-NE 2.78Å; D91-R110 PolarHBondContact OD1-NE 3.12Å; D91-R110 IonicContact OD1-NH2 3.26Å; L100-R110 HydrophobicContact CB-CB 4.5Å; L100-R110 HydrophobicContact CB-CG 4.32Å; L100-R110 CarbonylContact O-C 3.54Å; L100-R110 WeakPolarHBondContact O-CA 3.33Å; G108-R110 VanDerWaalsContact C-N 3.25Å; G108-R110 PolarHBondContact O-N 3.5Å; R110-A116 PolarHBondContact NH1-O 2.82Å
111I71.7Confident73.7Confident107 Ų10769.3 Ų69.355%0.54940%0.397SS..SBendtrans-80.4-40.6174.6-57.5168.9000110.2L100 R101 R102L100-I111 WeakPolarHBondContact O-CG1 3.35Å; L100-I111 PolarHBondContact O-N 2.64Å; R101-I111 WeakPolarHBondContact O-CD1 3.35Å; R102-I111 HydrophobicContact CB-CG1 4.09Å
112T70.4Confident72.7Confident66 Ų6667.8 Ų67.841%0.40539%0.393SS..SBendtrans-122148.3-177.6480000110.7A114T112-A114 PolarHBondContact O-N 3.28Å
113D68.9Low71.7Confident170 Ų17061.1 Ų61.191%0.90937%0.371SS*.  trans-70.5113.1171.6-66.4-45.1000109.3
114A74.5Confident71.6Confident21 Ų2154.1 Ų54.117%0.17434%0.339CS..  trans-85146.4170.800000110.4H85 V88 L100 T112 A116H85-A114 HydrophobicContact CB-CB 3.79Å; V88-A114 HydrophobicContact CG2-CB 4.05Å; L100-A114 HydrophobicContact CD1-CB 3.83Å; T112-A114 PolarHBondContact O-N 3.28Å; A114-A116 HydrophobicContact CB-CB 4.4Å; A114-A116 PolarHBondContact O-N 3.23Å
115S81Confident71.4Confident43 Ų4352.8 Ų52.830%0.30131%0.314SS..SBendtrans-68.2-24.4169.861.70000112.4T84 H85 H86 S117 S130T84-S115 WeakPolarHBondContact O-CB 3.49Å; T84-S115 PolarHBondContact O-N 2.88Å; T84-S115 PolarHBondContact O-OG 2.95Å; H85-S115 PolarHBondContact O-OG 2.87Å; H86-S115 WeakPolarHBondContact CA-OG 3.37Å; H86-S115 PolarHBondContact N-OG 2.82Å; H86-S115 PolarHBondContact ND1-OG 2.96Å; S115-S117 PolarHBondContact O-N 2.82Å; S115-S117 PolarHBondContact O-OG 2.84Å; S115-S130 WeakPolarHBondContact O-CA 3.39Å; S115-S130 WeakPolarHBondContact O-CB 3.47Å
116A80.9Confident71.6Confident1 Ų154.9 Ų54.91%0.00832%0.319CS..  trans-62.9107.7173.900000114.1H85 V88 R110 A114 H128 V129H85-A116 VanDerWaalsContact O-CB 3.22Å; H85-A116 WeakPolarHBondContact O-CB 3.37Å; H85-A116 PolarHBondContact O-N 3.44Å; V88-A116 HydrophobicContact CB-CB 3.7Å; V88-A116 HydrophobicContact CG2-CB 3.59Å; R110-A116 PolarHBondContact NH1-O 2.82Å; A114-A116 HydrophobicContact CB-CB 4.4Å; A114-A116 PolarHBondContact O-N 3.23Å; A116-H128 HydrophobicContact CB-CB 3.99Å; A116-H128 WeakPolarHBondContact CB-O 3.38Å; A116-V129 WeakPolarHBondContact CA-O 3.13Å
117S79.6Confident72.2Confident78 Ų7851.2 Ų51.255%0.54530%0.3SS..  trans-142.5-11.2-172.952.60000115.5S115 V129S115-S117 PolarHBondContact O-N 2.82Å; S115-S117 PolarHBondContact O-OG 2.84Å; S117-V129 PolarHBondContact N-O 2.68Å
118I74.2Confident73Confident23 Ų2351.7 Ų51.712%0.11830%0.298CS..EExtended strand (participates in β ladder)trans-107.6119.9-179.5-56.4-175000109.7M120 H128 V129 E131 A134 A256I118-M120 HydrophobicContact CG2-SD 4.28Å; I118-M120 PolarHBondContact O-N 3.09Å; I118-H128 CarbonylContact O-C 3.57Å; I118-H128 WeakPolarHBondContact O-CA 3.39Å; I118-V129 PolarHBondContact N-O 2.92Å; I118-V129 PolarHBondContact O-N 3.16Å; I118-E131 HydrophobicContact CD1-CB 4.06Å; I118-E131 HydrophobicContact CD1-CG 4.07Å; I118-A134 HydrophobicContact CB-CB 4.42Å; I118-A134 HydrophobicContact CD1-CB 3.92Å; I118-A134 HydrophobicContact CG2-CB 4.3Å; I118-A256 HydrophobicContact CG2-CB 4.48Å
119P75.8Confident73.9Confident28 Ų2849.6 Ų49.618%0.18228%0.275CS..EExtended strand (participates in β ladder)trans-76.1118174.430.8-33000110.6L127 F245P119-L127 WeakPolarHBondContact CA-O 3.16Å; P119-F245 HydrophobicContact CG-CE1 3.94Å; P119-F245 HydrophobicContact CG-CZ 3.79Å
120M70.4Confident74.6Confident31 Ų3146.4 Ų46.415%0.15326%0.26CS..  trans-86.5-55.9-176.7-66.4-61.1-66.500112.5I118 H122 L127 V129 A134 I137I118-M120 HydrophobicContact CG2-SD 4.28Å; I118-M120 PolarHBondContact O-N 3.09Å; M120-H122 PolarHBondContact O-N 2.8Å; M120-H122 PolarHBondContact O-ND1 3.44Å; M120-H122 VanDerWaalsContact O-ND1 3.17Å; M120-L127 PolarHBondContact N-O 2.76Å; M120-V129 HydrophobicContact CG-CB 4.14Å; M120-V129 HydrophobicContact CG-CG1 3.71Å; M120-V129 HydrophobicContact CG-CG2 3.31Å; M120-V129 HydrophobicContact SD-CG2 3.63Å; M120-A134 HydrophobicContact CE-CB 4.37Å; M120-A134 HydrophobicContact SD-CB 3.57Å; M120-A134 VanDerWaalsContact SD-CB 3.57Å; M120-I137 HydrophobicContact CE-CB 3.83Å; M120-I137 HydrophobicContact CE-CD1 4.09Å; M120-I137 HydrophobicContact CE-CG2 3.7Å
121V68.9Low75Confident51 Ų5148.7 Ų48.731%0.30927%0.274SS..  trans-83.4111.8-173.8179.30000108.4A123 I124 L127V121-A123 HydrophobicContact CG1-CB 4.24Å; V121-A123 PolarHBondContact O-N 3.43Å; V121-I124 HydrophobicContact CB-CB 4.22Å; V121-I124 HydrophobicContact CB-CG1 4.46Å; V121-I124 HydrophobicContact CG1-CB 4.12Å; V121-I124 HydrophobicContact CG1-CD1 4.07Å; V121-I124 HydrophobicContact CG1-CG1 3.86Å; V121-I124 CarbonylContact O-C 3.58Å; V121-I124 WeakPolarHBondContact O-CA 3.49Å; V121-I124 PolarHBondContact O-N 3.01Å; V121-L127 HydrophobicContact CB-CD2 4.41Å; V121-L127 HydrophobicContact CG2-CD2 3.88Å
122H63.6Low75.7Confident35 Ų3547.1 Ų47.116%0.16227%0.269CS..THydrogen-bonded Turntrans-59.1-34.9-175-49.813.5000111.5M120 I124 H210 L239M120-H122 PolarHBondContact O-N 2.8Å; M120-H122 PolarHBondContact O-ND1 3.44Å; M120-H122 VanDerWaalsContact O-ND1 3.17Å; H122-I124 VanDerWaalsContact C-N 3.25Å; H122-I124 PolarHBondContact O-N 3.42Å; H122-H210 AromaticContact NE2-ND1 3.71Å; H122-L239 HydrophobicContact CB-CD1 3.93Å
123A60.8Low76.5Confident15 Ų1545.3 Ų45.312%0.12426%0.258CS..THydrogen-bonded Turntrans-71.5-13.6175.800000114.2V121 R217V121-A123 HydrophobicContact CG1-CB 4.24Å; V121-A123 PolarHBondContact O-N 3.43Å; A123-R217 PolarHBondContact O-NH1 2.82Å; A123-R217 PolarHBondContact O-NH2 3.37Å
124I71.4Confident77.3Confident48 Ų4837.2 Ų37.225%0.24621%0.214CC..  trans-13671.8-175.9-46.1175.1000109V121 H122 E126 L127V121-I124 HydrophobicContact CB-CB 4.22Å; V121-I124 HydrophobicContact CB-CG1 4.46Å; V121-I124 HydrophobicContact CG1-CB 4.12Å; V121-I124 HydrophobicContact CG1-CD1 4.07Å; V121-I124 HydrophobicContact CG1-CG1 3.86Å; V121-I124 CarbonylContact O-C 3.58Å; V121-I124 WeakPolarHBondContact O-CA 3.49Å; V121-I124 PolarHBondContact O-N 3.01Å; H122-I124 VanDerWaalsContact C-N 3.25Å; H122-I124 PolarHBondContact O-N 3.42Å; I124-E126 PolarHBondContact O-N 2.81Å; I124-L127 HydrophobicContact CB-CB 4.36Å; I124-L127 HydrophobicContact CG2-CB 3.98Å; I124-L127 WeakPolarHBondContact O-CB 3.43Å; I124-L127 PolarHBondContact O-N 3.2Å
125P67.3Low77.8Confident61 Ų6139.1 Ų39.140%0.39622%0.222SC..THydrogen-bonded Turntrans-63.6-12.1-17726.7-35.9000114L127 H128 E243P125-L127 VanDerWaalsContact C-N 3.34Å; P125-H128 PolarHBondContact O-CE1 2.93Å; P125-E243 HydrophobicContact CG-CG 4.33Å
126E74.3Confident78.1Confident64 Ų6442.9 Ų42.930%0.29924%0.235SC..THydrogen-bonded Turntrans-75.9-18.9173.7-62.5172167.600113.2K90 I124 H128K90-E126 WeakPolarHBondContact CE-OE2 3.2Å; K90-E126 HydrophobicContact CG-CB 4.31Å; K90-E126 WeakPolarHBondContact CG-OE2 3.33Å; I124-E126 PolarHBondContact O-N 2.81Å; E126-H128 PolarHBondContact O-N 2.91Å; E126-H128 PolarHBondContact O-ND1 2.86Å
127L82.6Confident78.4Confident13 Ų1345.8 Ų45.87%0.06825%0.249CC..EExtended strand (participates in β ladder)trans-83.795.4178.3176.653.8000110.7V87 M89 P119 M120 V121 I124 P125 L1103V87-L127 HydrophobicContact CG1-CD1 3.87Å; M89-L127 HydrophobicContact CB-CD1 4.27Å; M89-L127 HydrophobicContact CE-CB 4.12Å; M89-L127 HydrophobicContact CE-CD1 3.94Å; M89-L127 HydrophobicContact CE-CD2 4.04Å; M89-L127 HydrophobicContact CE-CG 4.25Å; P119-L127 WeakPolarHBondContact CA-O 3.16Å; M120-L127 PolarHBondContact N-O 2.76Å; V121-L127 HydrophobicContact CB-CD2 4.41Å; V121-L127 HydrophobicContact CG2-CD2 3.88Å; I124-L127 HydrophobicContact CB-CB 4.36Å; I124-L127 HydrophobicContact CG2-CB 3.98Å; I124-L127 WeakPolarHBondContact O-CB 3.43Å; I124-L127 PolarHBondContact O-N 3.2Å; P125-L127 VanDerWaalsContact C-N 3.34Å; L127-L1103 HydrophobicContact CD2-CD2 4.04Å
128H82.6Confident78.7Confident49 Ų4942.7 Ų42.723%0.22723%0.229CC..EExtended strand (participates in β ladder)trans-95.4141.4178-61.767.7000110.7V88 A116 I118 P125 E126V88-H128 PolarHBondContact N-O 2.89Å; V88-H128 PolarHBondContact O-N 2.84Å; A116-H128 HydrophobicContact CB-CB 3.99Å; A116-H128 WeakPolarHBondContact CB-O 3.38Å; I118-H128 CarbonylContact O-C 3.57Å; I118-H128 WeakPolarHBondContact O-CA 3.39Å; P125-H128 PolarHBondContact O-CE1 2.93Å; E126-H128 PolarHBondContact O-N 2.91Å; E126-H128 PolarHBondContact O-ND1 2.86Å
129V85.2Confident79.5Confident6 Ų644.5 Ų44.54%0.03624%0.238CC..EExtended strand (participates in β ladder)trans-125165.1167.5-45.80000111.7H86 V87 A116 S117 I118 M120 V133 A134H86-V129 CarbonylContact O-C 3.59Å; H86-V129 WeakPolarHBondContact O-CA 3.19Å; V87-V129 HydrophobicContact CG1-CG1 4.43Å; V87-V129 HydrophobicContact CG2-CG1 4.21Å; A116-V129 WeakPolarHBondContact CA-O 3.13Å; S117-V129 PolarHBondContact N-O 2.68Å; I118-V129 PolarHBondContact N-O 2.92Å; I118-V129 PolarHBondContact O-N 3.16Å; M120-V129 HydrophobicContact CG-CB 4.14Å; M120-V129 HydrophobicContact CG-CG1 3.71Å; M120-V129 HydrophobicContact CG-CG2 3.31Å; M120-V129 HydrophobicContact SD-CG2 3.63Å; V129-V133 HydrophobicContact CB-CB 4.06Å; V129-V133 HydrophobicContact CB-CG1 3.85Å; V129-V133 HydrophobicContact CG1-CG1 4.16Å; V129-V133 HydrophobicContact CG2-CB 4.14Å; V129-V133 HydrophobicContact CG2-CG1 4.07Å; V129-A134 HydrophobicContact CG2-CB 3.81Å
130S87.3Confident80.2Confident4 Ų447 Ų473%0.02825%0.248CC..  trans-77.9158.817565.40000112.3H86 S115 T132 V133 A134H86-S130 PolarHBondContact ND1-OG 3.26Å; H86-S130 PolarHBondContact O-N 3.28Å; S115-S130 WeakPolarHBondContact O-CA 3.39Å; S115-S130 WeakPolarHBondContact O-CB 3.47Å; S130-T132 PolarHBondContact O-N 3.4Å; S130-T132 VanDerWaalsContact O-N 3.12Å; S130-T132 PolarHBondContact OG-OG1 2.99Å; S130-V133 PolarHBondContact O-N 3.06Å; S130-A134 PolarHBondContact O-N 3.1Å
131E84.8Confident81.1Confident108 Ų10849.3 Ų49.351%0.50526%0.261SS..Hα-helixtrans-55.3-34.4-177.8-164.8160.9-139.100112.7I118 D135 K255I118-E131 HydrophobicContact CD1-CB 4.06Å; I118-E131 HydrophobicContact CD1-CG 4.07Å; E131-D135 WeakPolarHBondContact O-CB 3.35Å; E131-D135 PolarHBondContact O-N 3.45Å; E131-K255 IonicContact OE1-NZ 2.68Å; E131-K255 PolarHBondContact OE1-NZ 2.99Å
132T85.7Confident82.3Confident74 Ų7448.9 Ų48.945%0.45426%0.255SS..Hα-helixtrans-61.6-51.9172.151.30000113.7S130 A134 D135 E136S130-T132 PolarHBondContact O-N 3.4Å; S130-T132 VanDerWaalsContact O-N 3.12Å; S130-T132 PolarHBondContact OG-OG1 2.99Å; T132-A134 VanDerWaalsContact C-N 3.29Å; T132-A134 PolarHBondContact O-N 3.46Å; T132-D135 PolarHBondContact O-N 2.96Å; T132-E136 VanDerWaalsContact O-CG 3.32Å; T132-E136 WeakPolarHBondContact O-CG 3.46Å; T132-E136 PolarHBondContact O-N 3.3Å
133V86.5Confident83.7Confident28 Ų2852.6 Ų52.617%0.1727%0.272CS..Hα-helixtrans-67.5-33-179.2173.80000110.9H86 V87 V129 S130 E136 I137H86-V133 HydrophobicContact CB-CG2 4Å; V87-V133 HydrophobicContact CG2-CG1 4.44Å; V129-V133 HydrophobicContact CB-CB 4.06Å; V129-V133 HydrophobicContact CB-CG1 3.85Å; V129-V133 HydrophobicContact CG1-CG1 4.16Å; V129-V133 HydrophobicContact CG2-CB 4.14Å; V129-V133 HydrophobicContact CG2-CG1 4.07Å; S130-V133 PolarHBondContact O-N 3.06Å; V133-E136 PolarHBondContact O-N 3.47Å; V133-I137 HydrophobicContact CG1-CD1 3.77Å; V133-I137 HydrophobicContact CG1-CG1 4.39Å; V133-I137 WeakPolarHBondContact O-CB 3.41Å; V133-I137 VanDerWaalsContact O-CG1 3.26Å; V133-I137 WeakPolarHBondContact O-CG1 3.44Å; V133-I137 PolarHBondContact O-N 3.03Å
134A85.8Confident85.3Confident0 Ų054.8 Ų54.80%029%0.287CS..Hα-helixtrans-64.7-43.4171.900000112.1I118 M120 V129 S130 T132 A138 P259I118-A134 HydrophobicContact CB-CB 4.42Å; I118-A134 HydrophobicContact CD1-CB 3.92Å; I118-A134 HydrophobicContact CG2-CB 4.3Å; M120-A134 HydrophobicContact CE-CB 4.37Å; M120-A134 HydrophobicContact SD-CB 3.57Å; M120-A134 VanDerWaalsContact SD-CB 3.57Å; V129-A134 HydrophobicContact CG2-CB 3.81Å; S130-A134 PolarHBondContact O-N 3.1Å; T132-A134 VanDerWaalsContact C-N 3.29Å; T132-A134 PolarHBondContact O-N 3.46Å; A134-A138 WeakPolarHBondContact O-CB 3.35Å; A134-A138 PolarHBondContact O-N 3.05Å; A134-P259 HydrophobicContact CB-CG 4.39Å
135D85.3Confident86.5Confident61 Ų6153.3 Ų53.333%0.32628%0.28SS..Hα-helixtrans-70-28.5177.3-91.8-17.8000113.6E131 T132 L139 R260E131-D135 WeakPolarHBondContact O-CB 3.35Å; E131-D135 PolarHBondContact O-N 3.45Å; T132-D135 PolarHBondContact O-N 2.96Å; D135-L139 WeakPolarHBondContact O-CB 3.43Å; D135-L139 PolarHBondContact O-N 3.42Å; D135-L139 VanDerWaalsContact O-N 3.16Å; D135-R260 PolarHBondContact O-NH1 2.93Å
136E87.5Confident87.9Confident123 Ų12351.2 Ų51.258%0.57527%0.265SS*.Hα-helixtrans-72.4-53.3173.8-75.1161.5-161.900111.3T132 V133 A138 L139 Q140T132-E136 VanDerWaalsContact O-CG 3.32Å; T132-E136 WeakPolarHBondContact O-CG 3.46Å; T132-E136 PolarHBondContact O-N 3.3Å; V133-E136 PolarHBondContact O-N 3.47Å; E136-A138 VanDerWaalsContact C-N 3.34Å; E136-A138 PolarHBondContact O-N 3.19Å; E136-L139 WeakPolarHBondContact O-CB 3.29Å; E136-L139 PolarHBondContact O-N 2.94Å; E136-L139 VanDerWaalsContact O-N 3.07Å; E136-Q140 PolarHBondContact O-N 3.04Å
137I86.5Confident88.9Confident61 Ų6152.2 Ų52.231%0.31328%0.284SS..Hα-helixtrans-58.4-47.3176.5-66.9165.8000110.1M120 V133 L139 Q140 D141M120-I137 HydrophobicContact CE-CB 3.83Å; M120-I137 HydrophobicContact CE-CD1 4.09Å; M120-I137 HydrophobicContact CE-CG2 3.7Å; V133-I137 HydrophobicContact CG1-CD1 3.77Å; V133-I137 HydrophobicContact CG1-CG1 4.39Å; V133-I137 WeakPolarHBondContact O-CB 3.41Å; V133-I137 VanDerWaalsContact O-CG1 3.26Å; V133-I137 WeakPolarHBondContact O-CG1 3.44Å; V133-I137 PolarHBondContact O-N 3.03Å; I137-L139 PolarHBondContact O-N 3.5Å; I137-Q140 PolarHBondContact O-N 2.95Å; I137-Q140 VanDerWaalsContact O-N 3.12Å; I137-D141 PolarHBondContact O-N 3.46Å
138A87.3Confident89.6Confident14 Ų1454.5 Ų54.512%0.11631%0.305CS..Hα-helixtrans-68.8-18.8179.300000113.7A134 E136 Q142 P259 R260A134-A138 WeakPolarHBondContact O-CB 3.35Å; A134-A138 PolarHBondContact O-N 3.05Å; E136-A138 VanDerWaalsContact C-N 3.34Å; E136-A138 PolarHBondContact O-N 3.19Å; A138-Q142 VanDerWaalsContact O-CB 3.31Å; A138-Q142 WeakPolarHBondContact O-CB 3.46Å; A138-Q142 PolarHBondContact O-N 2.87Å; A138-P259 HydrophobicContact CB-CG 3.56Å; A138-R260 VanDerWaalsContact C-CD 3.46Å; A138-R260 HydrophobicContact CB-CG 3.85Å; A138-R260 WeakPolarHBondContact O-CD 3.5Å
139L90.4Very high90.3Very high60 Ų6057.1 Ų57.131%0.31431%0.313SS..Hα-helixtrans-74.9-44.4169.9177.660.3000110.2D135 E136 I137 Q142 Q143 R260D135-L139 WeakPolarHBondContact O-CB 3.43Å; D135-L139 PolarHBondContact O-N 3.42Å; D135-L139 VanDerWaalsContact O-N 3.16Å; E136-L139 WeakPolarHBondContact O-CB 3.29Å; E136-L139 PolarHBondContact O-N 2.94Å; E136-L139 VanDerWaalsContact O-N 3.07Å; I137-L139 PolarHBondContact O-N 3.5Å; L139-Q142 PolarHBondContact O-N 3.18Å; L139-Q143 HydrophobicContact CD1-CG 4.4Å; L139-Q143 WeakPolarHBondContact O-CB 3.4Å; L139-Q143 WeakPolarHBondContact O-CG 3.45Å; L139-Q143 PolarHBondContact O-N 2.89Å; L139-R260 VanDerWaalsContact CA-CD 3.49Å; L139-R260 VanDerWaalsContact N-CD 3.33Å
140Q90.7Very high90.9Very high81 Ų8159.8 Ų59.838%0.37932%0.324SS..Hα-helixtrans-63.9-41.7176.5-175.916448.600112E136 I137 Q143 S144E136-Q140 PolarHBondContact O-N 3.04Å; I137-Q140 PolarHBondContact O-N 2.95Å; I137-Q140 VanDerWaalsContact O-N 3.12Å; Q140-Q143 PolarHBondContact O-N 3.26Å; Q140-S144 VanDerWaalsContact O-CB 3.31Å; Q140-S144 WeakPolarHBondContact O-CB 3.47Å; Q140-S144 PolarHBondContact O-N 3.32Å; Q140-S144 PolarHBondContact O-OG 2.83Å
141D89.7Confident91.4Very high80 Ų8059.6 Ų59.643%0.42832%0.323SS..Hα-helixtrans-60.7-46.3172.4-77.5-29.7000111.3I137 Q143 S144 L145I137-D141 PolarHBondContact O-N 3.46Å; D141-Q143 VanDerWaalsContact C-N 3.34Å; D141-Q143 PolarHBondContact O-N 3.26Å; D141-S144 PolarHBondContact O-N 3.44Å; D141-L145 WeakPolarHBondContact O-CB 3.24Å; D141-L145 VanDerWaalsContact O-CG 3.27Å; D141-L145 WeakPolarHBondContact O-CG 3.49Å; D141-L145 PolarHBondContact O-N 3Å
142Q92.9Very high92.1Very high41 Ų4154.6 Ų54.619%0.19230%0.299CS..Hα-helixtrans-61.6-41.1177.9-167.6-161.1-102.200111.9A138 L139 L146 L264A138-Q142 VanDerWaalsContact O-CB 3.31Å; A138-Q142 WeakPolarHBondContact O-CB 3.46Å; A138-Q142 PolarHBondContact O-N 2.87Å; L139-Q142 PolarHBondContact O-N 3.18Å; Q142-L146 HydrophobicContact CG-CD1 4.32Å; Q142-L146 WeakPolarHBondContact O-CB 3.36Å; Q142-L146 VanDerWaalsContact O-CG 3.3Å; Q142-L146 WeakPolarHBondContact O-CG 3.38Å; Q142-L146 PolarHBondContact O-N 3.36Å; Q142-L146 VanDerWaalsContact O-N 3.12Å; Q142-L264 HydrophobicContact CB-CD1 4.44Å; Q142-L264 HydrophobicContact CG-CD1 3.67Å
143Q93.7Very high92.7Very high113 Ų11351.1 Ų51.153%0.52828%0.278SS..Hα-helixtrans-66.1-45.5175.8-74.7171.4-39.300111.5L139 Q140 D141 L145 L146 A147L139-Q143 HydrophobicContact CD1-CG 4.4Å; L139-Q143 WeakPolarHBondContact O-CB 3.4Å; L139-Q143 WeakPolarHBondContact O-CG 3.45Å; L139-Q143 PolarHBondContact O-N 2.89Å; Q140-Q143 PolarHBondContact O-N 3.26Å; D141-Q143 VanDerWaalsContact C-N 3.34Å; D141-Q143 PolarHBondContact O-N 3.26Å; Q143-L145 PolarHBondContact O-N 3.41Å; Q143-L146 PolarHBondContact O-N 2.89Å; Q143-A147 WeakPolarHBondContact O-CB 3.41Å; Q143-A147 PolarHBondContact O-N 3.42Å
144S94.8Very high93.2Very high62 Ų6249.8 Ų49.843%0.43427%0.27SS..Hα-helixtrans-62-42.4179.5-57.50000111.9Q140 D141 A148Q140-S144 VanDerWaalsContact O-CB 3.31Å; Q140-S144 WeakPolarHBondContact O-CB 3.47Å; Q140-S144 PolarHBondContact O-N 3.32Å; Q140-S144 PolarHBondContact O-OG 2.83Å; D141-S144 PolarHBondContact O-N 3.44Å; S144-A148 VanDerWaalsContact O-CB 3.27Å; S144-A148 WeakPolarHBondContact O-CB 3.27Å; S144-A148 PolarHBondContact O-N 2.84Å
145L95.7Very high93.7Very high16 Ų1649.9 Ų49.98%0.08427%0.271CS..Hα-helixtrans-63.3-46.1174.9-74.5165.9000112D141 Q143 A148 R149 K150 V152 Q208 L264D141-L145 WeakPolarHBondContact O-CB 3.24Å; D141-L145 VanDerWaalsContact O-CG 3.27Å; D141-L145 WeakPolarHBondContact O-CG 3.49Å; D141-L145 PolarHBondContact O-N 3Å; Q143-L145 PolarHBondContact O-N 3.41Å; L145-A148 CarbonylContact O-C 3.48Å; L145-A148 PolarHBondContact O-N 3.5Å; L145-R149 PolarHBondContact O-N 3.14Å; L145-R149 VanDerWaalsContact O-N 3.11Å; L145-K150 HydrophobicContact CD2-CB 4.11Å; L145-K150 PolarHBondContact O-N 3.17Å; L145-V152 HydrophobicContact CD1-CG2 3.52Å; L145-V152 HydrophobicContact CD2-CG2 4.33Å; L145-Q208 HydrophobicContact CD2-CB 3.81Å; L145-L264 HydrophobicContact CB-CD1 4Å; L145-L264 HydrophobicContact CD1-CD1 4.07Å
146L95.7Very high94.3Very high17 Ų1747.4 Ų47.49%0.08926%0.257CS..Hα-helixtrans-65.2-42178.4-74.9170.4000112.3Q142 Q143 R149 L264 Y500 F501 Y504 L563Q142-L146 HydrophobicContact CG-CD1 4.32Å; Q142-L146 WeakPolarHBondContact O-CB 3.36Å; Q142-L146 VanDerWaalsContact O-CG 3.3Å; Q142-L146 WeakPolarHBondContact O-CG 3.38Å; Q142-L146 PolarHBondContact O-N 3.36Å; Q142-L146 VanDerWaalsContact O-N 3.12Å; Q143-L146 PolarHBondContact O-N 2.89Å; L146-R149 WeakPolarHBondContact O-CA 3.27Å; L146-R149 PolarHBondContact O-N 2.84Å; L146-L264 HydrophobicContact CD2-CD2 3.77Å; L146-L264 HydrophobicContact CG-CD1 4.34Å; L146-L264 HydrophobicContact CG-CD2 4.3Å; L146-Y500 HydrophobicContact CD2-CE1 4.45Å; L146-F501 HydrophobicContact CD2-CE1 4.16Å; L146-F501 HydrophobicContact CD2-CZ 4.49Å; L146-Y504 HydrophobicContact CD1-CE2 4.1Å; L146-Y504 HydrophobicContact CD2-CD1 4.39Å; L146-Y504 HydrophobicContact CD2-CD2 4.1Å; L146-Y504 HydrophobicContact CD2-CE1 4.07Å; L146-Y504 HydrophobicContact CD2-CE2 3.79Å; L146-Y504 HydrophobicContact CD2-CG 4.38Å; L146-L563 HydrophobicContact CD1-CD1 3.97Å; L146-L563 HydrophobicContact CD1-CD2 4.12Å; L146-L563 HydrophobicContact CD2-CD1 4.35Å
147A96.2Very high94.8Very high86 Ų8641.5 Ų41.571%0.71123%0.23SC*.Hα-helixtrans-63.8-43.9176.500000111.9Q143 R149Q143-A147 WeakPolarHBondContact O-CB 3.41Å; Q143-A147 PolarHBondContact O-N 3.42Å; A147-R149 PolarHBondContact O-N 3.25Å; A147-R149 VanDerWaalsContact O-N 3.17Å
148A96.9Very high95.3Very high60 Ų6038.8 Ų38.850%0.49622%0.216SC..THydrogen-bonded Turntrans-72.50.8173.100000113.9S144 L145 K150S144-A148 VanDerWaalsContact O-CB 3.27Å; S144-A148 WeakPolarHBondContact O-CB 3.27Å; S144-A148 PolarHBondContact O-N 2.84Å; L145-A148 CarbonylContact O-C 3.48Å; L145-A148 PolarHBondContact O-N 3.5Å; A148-K150 VanDerWaalsContact C-N 3.26Å; A148-K150 HydrophobicContact CB-CG 4.12Å; A148-K150 WeakPolarHBondContact O-CG 3.38Å; A148-K150 PolarHBondContact O-N 3.27Å
149R97.9Very high95.6Very high105 Ų10538.3 Ų38.340%0.39621%0.211SC..THydrogen-bonded Turntrans46.546-171.6-63.3177.871.783.4-13.5112.8L145 L146 A147 H497 F501 D505L145-R149 PolarHBondContact O-N 3.14Å; L145-R149 VanDerWaalsContact O-N 3.11Å; L146-R149 WeakPolarHBondContact O-CA 3.27Å; L146-R149 PolarHBondContact O-N 2.84Å; A147-R149 PolarHBondContact O-N 3.25Å; A147-R149 VanDerWaalsContact O-N 3.17Å; R149-H497 PolarHBondContact O-CE1 2.88Å; R149-H497 PolarHBondContact O-NE2 2.87Å; R149-F501 VanDerWaalsContact CA-CZ 3.5Å; R149-F501 HydrophobicContact CB-CD1 4.29Å; R149-F501 HydrophobicContact CB-CE1 4.02Å; R149-F501 HydrophobicContact CB-CZ 4.14Å; R149-F501 HydrophobicContact CG-CD1 4.26Å; R149-F501 HydrophobicContact CG-CE1 4.13Å; R149-F501 WeakPolarHBondContact O-CE2 3.19Å; R149-D505 IonicContact CZ-OD1 3.82Å; R149-D505 IonicContact CZ-OD2 3.86Å; R149-D505 IonicContact NH1-OD1 2.67Å; R149-D505 PolarHBondContact NH1-OD1 2.9Å; R149-D505 IonicContact NH1-OD2 3.2Å; R149-D505 IonicContact NH2-OD1 3.64Å; R149-D505 PolarHBondContact NH2-OD1 3.17Å; R149-D505 IonicContact NH2-OD2 2.95Å; R149-D505 PolarHBondContact NH2-OD2 3.32Å
150K98.3Very high95.9Very high62 Ų6235.5 Ų35.527%0.2720%0.197SC..  trans-112.7152.7175.8-58.1-159.4-174.9-165.40112.8L145 A148 S204 Q205 Y206L145-K150 HydrophobicContact CD2-CB 4.11Å; L145-K150 PolarHBondContact O-N 3.17Å; A148-K150 VanDerWaalsContact C-N 3.26Å; A148-K150 HydrophobicContact CB-CG 4.12Å; A148-K150 WeakPolarHBondContact O-CG 3.38Å; A148-K150 PolarHBondContact O-N 3.27Å; K150-S204 PolarHBondContact NZ-O 2.83Å; K150-Q205 WeakPolarHBondContact CE-O 3.44Å; K150-Y206 VanDerWaalsContact CA-O 3.29Å; K150-Y206 WeakPolarHBondContact CA-O 3.15Å
151L98.3Very high96.2Very high0 Ų031.9 Ų31.90%018%0.18CC..EExtended strand (participates in β ladder)trans-102.4175.3165.7-67.5-179.8000110.1Y206 Y207 Q208 L264 H497 Y500 F501 V566L151-Y206 PolarHBondContact N-O 3.34Å; L151-Y207 HydrophobicContact CB-CD1 3.54Å; L151-Y207 HydrophobicContact CB-CE1 3.45Å; L151-Y207 VanDerWaalsContact CB-CE1 3.45Å; L151-Y207 HydrophobicContact CB-CG 4.49Å; L151-Y207 HydrophobicContact CD1-CE1 3.87Å; L151-Y207 HydrophobicContact CG-CE1 4.27Å; L151-Y207 CarbonylContact O-C 3.48Å; L151-Y207 VanDerWaalsContact O-CA 3.28Å; L151-Y207 WeakPolarHBondContact O-CA 3.41Å; L151-Q208 PolarHBondContact O-N 2.7Å; L151-L264 HydrophobicContact CD2-CB 4.2Å; L151-L264 HydrophobicContact CD2-CD2 3.72Å; L151-H497 HydrophobicContact CD1-CB 4.35Å; L151-Y500 HydrophobicContact CD1-CG 4.34Å; L151-Y500 HydrophobicContact CD2-CD1 3.68Å; L151-Y500 HydrophobicContact CD2-CD2 4.3Å; L151-Y500 HydrophobicContact CD2-CE1 3.89Å; L151-Y500 HydrophobicContact CD2-CE2 4.47Å; L151-Y500 HydrophobicContact CD2-CG 3.92Å; L151-F501 HydrophobicContact CD2-CE2 4.2Å; L151-F501 HydrophobicContact CG-CE2 4.09Å; L151-V566 HydrophobicContact CD1-CG2 3.92Å; L151-V566 HydrophobicContact CD2-CG2 3.89Å
152V97.6Very high96.5Very high2 Ų228 Ų281%0.01216%0.159CC..EExtended strand (participates in β ladder)trans-101.2138.8169.1-175.60000109.4L145 L154 Q208 F258 L264 V265 C266L145-V152 HydrophobicContact CD1-CG2 3.52Å; L145-V152 HydrophobicContact CD2-CG2 4.33Å; V152-L154 HydrophobicContact CG1-CD2 4.24Å; V152-Q208 WeakPolarHBondContact CA-O 3.46Å; V152-F258 HydrophobicContact CG1-CE1 4.06Å; V152-F258 HydrophobicContact CG1-CZ 3.79Å; V152-F258 HydrophobicContact CG2-CE1 4.24Å; V152-L264 PolarHBondContact N-O 2.88Å; V152-V265 HydrophobicContact CB-CG2 4.36Å; V152-C266 PolarHBondContact O-N 3.49Å
153L98.2Very high96.6Very high1 Ų126.2 Ų26.21%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-122.4114.5173-17463.4000110.4V155 L203 Y207 Q208 M209 H210 C266 I268 L493L153-V155 HydrophobicContact CD2-CG2 3.97Å; L153-V155 HydrophobicContact CG-CG2 3.79Å; L153-L203 HydrophobicContact CD2-CD1 4.18Å; L153-Y207 HydrophobicContact CB-CD1 3.65Å; L153-Y207 HydrophobicContact CB-CE1 4.39Å; L153-Y207 HydrophobicContact CB-CG 3.98Å; L153-Q208 PolarHBondContact N-O 3.49Å; L153-M209 HydrophobicContact CB-CG 4.28Å; L153-M209 HydrophobicContact CD2-CG 4.37Å; L153-M209 HydrophobicContact CD2-SD 4.45Å; L153-M209 WeakPolarHBondContact O-CA 3.38Å; L153-H210 PolarHBondContact O-N 3.11Å; L153-C266 WeakPolarHBondContact CA-O 3.49Å; L153-C266 HydrophobicContact CD1-CB 3.98Å; L153-I268 HydrophobicContact CD1-CG1 4.15Å; L153-I268 HydrophobicContact CD1-CG2 4.19Å; L153-I268 HydrophobicContact CD2-CD1 4.24Å; L153-I268 HydrophobicContact CG-CG1 4.44Å; L153-L493 HydrophobicContact CD1-CD1 4.5Å; L153-L493 HydrophobicContact CD1-CD2 3.88Å; L153-L493 HydrophobicContact CD2-CD1 4.04Å
154L97.3Very high96.7Very high1 Ų120.9 Ų20.91%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-84.2126.9167.4-53.2-171.5000108.9V152 H210 L254 F258 V265 C266 I267 I268 W275V152-L154 HydrophobicContact CG1-CD2 4.24Å; L154-H210 HydrophobicContact CD2-CB 3.78Å; L154-L254 HydrophobicContact CD1-CD2 3.92Å; L154-F258 HydrophobicContact CD1-CE2 4.23Å; L154-F258 HydrophobicContact CD2-CE2 4.09Å; L154-F258 HydrophobicContact CD2-CZ 4.02Å; L154-V265 HydrophobicContact CD1-CG1 4.15Å; L154-V265 HydrophobicContact CG-CG1 4.02Å; L154-C266 PolarHBondContact N-O 2.8Å; L154-I267 HydrophobicContact CB-CB 4.46Å; L154-I267 HydrophobicContact CB-CG1 4.24Å; L154-I267 HydrophobicContact CB-CG2 4.23Å; L154-I267 HydrophobicContact CD1-CD1 4.17Å; L154-I267 HydrophobicContact CD1-CG1 4.05Å; L154-I267 HydrophobicContact CG-CG1 4.29Å; L154-I268 PolarHBondContact O-N 2.68Å; L154-W275 HydrophobicContact CD1-CH2 3.66Å; L154-W275 HydrophobicContact CD1-CZ2 4.36Å; L154-W275 HydrophobicContact CD1-CZ3 4.21Å
155V97.9Very high96.7Very high2 Ų218.1 Ų18.11%0.01211%0.107CC..EExtended strand (participates in β ladder)trans-122.1117.5-173.2-1770000109.5L153 I161 H210 I211 C212 F234 I268L153-V155 HydrophobicContact CD2-CG2 3.97Å; L153-V155 HydrophobicContact CG-CG2 3.79Å; V155-I161 HydrophobicContact CG1-CD1 3.98Å; V155-I161 HydrophobicContact CG1-CG1 4.45Å; V155-I161 HydrophobicContact CG1-CG2 4.16Å; V155-H210 PolarHBondContact N-O 2.99Å; V155-I211 CarbonylContact O-C 3.46Å; V155-I211 WeakPolarHBondContact O-CA 3.36Å; V155-C212 PolarHBondContact O-N 3.08Å; V155-F234 HydrophobicContact CB-CE1 4.3Å; V155-F234 HydrophobicContact CG2-CE1 4.24Å; V155-I268 HydrophobicContact CB-CG1 4.37Å; V155-I268 HydrophobicContact CG1-CD1 4.15Å; V155-I268 HydrophobicContact CG1-CG1 4.35Å; V155-I268 HydrophobicContact CG2-CD1 4.08Å; V155-I268 HydrophobicContact CG2-CG1 4.13Å
156D97.8Very high96.5Very high8 Ų820.1 Ų20.14%0.04312%0.117CC..  trans-78.4163.2165.2177.371.6000112D158 T160 K250 I268 D269D156-D158 PolarHBondContact OD2-N 3.18Å; D156-T160 HydrophobicContact CB-CG2 4.1Å; D156-T160 WeakPolarHBondContact CB-OG1 3.35Å; D156-T160 WeakPolarHBondContact O-CB 3.48Å; D156-T160 WeakPolarHBondContact O-CG2 3.4Å; D156-T160 WeakPolarHBondContact OD2-CB 3.32Å; D156-T160 PolarHBondContact OD2-OG1 2.87Å; D156-K250 IonicContact OD1-NZ 2.63Å; D156-K250 PolarHBondContact OD1-NZ 2.87Å; D156-I268 PolarHBondContact N-O 2.99Å; D156-D269 HydrophobicContact CB-CB 4.29Å; D156-D269 WeakPolarHBondContact CB-OD2 3.34Å
157L97.7Very high96.3Very high0 Ų022.2 Ų22.20%013%0.128CC..  trans-99.9-66.5-179.6-57.2-178.6000113Q159 T160 I161 I162 I211 T213 L223L157-Q159 PolarHBondContact O-N 3.29Å; L157-T160 PolarHBondContact O-N 3.46Å; L157-T160 VanDerWaalsContact O-N 3.14Å; L157-I161 HydrophobicContact CD2-CD1 3.86Å; L157-I161 HydrophobicContact CD2-CG1 4.13Å; L157-I161 PolarHBondContact O-N 3Å; L157-I162 HydrophobicContact CB-CD1 4.11Å; L157-I162 HydrophobicContact CB-CG1 4.1Å; L157-I162 WeakPolarHBondContact O-CG1 3.46Å; L157-I162 PolarHBondContact O-N 3.46Å; L157-I211 HydrophobicContact CD1-CG2 3.94Å; L157-I211 HydrophobicContact CD2-CD1 4.15Å; L157-I211 HydrophobicContact CD2-CG1 4.13Å; L157-I211 HydrophobicContact CD2-CG2 4.02Å; L157-I211 HydrophobicContact CG-CG2 3.93Å; L157-T213 HydrophobicContact CD1-CG2 3.89Å; L157-T213 HydrophobicContact CG-CG2 4.39Å; L157-L223 HydrophobicContact CD1-CB 4.28Å; L157-L223 HydrophobicContact CD1-CD1 3.87Å
158D95.9Very high95.8Very high4 Ų422.9 Ų22.92%0.02113%0.126CC..BIsolated β-bridgetrans-75.3121.1-163.2-65.7-64.6000111.7D156 T160 Y219 N297D156-D158 PolarHBondContact OD2-N 3.18Å; D158-T160 PolarHBondContact O-N 3.16Å; D158-Y219 PolarHBondContact OD1-OH 3.03Å; D158-Y219 WeakPolarHBondContact OD2-CE1 3.31Å; D158-N297 PolarHBondContact OD2-ND2 3.37Å
159Q94.2Very high95.3Very high3 Ų325.6 Ų25.61%0.01413%0.128CC..THydrogen-bonded Turntrans61.3-0.9-167.7-50.9-155.6-15.200114.8L157 I162 H163 D270 P286 Y287 I293 G294L157-Q159 PolarHBondContact O-N 3.29Å; Q159-I162 WeakPolarHBondContact CA-O 3.45Å; Q159-I162 PolarHBondContact N-O 3.5Å; Q159-H163 PolarHBondContact NE2-NE2 3.44Å; Q159-D270 HydrophobicContact CB-CB 4.46Å; Q159-D270 WeakPolarHBondContact CB-OD2 3.47Å; Q159-P286 HydrophobicContact CB-CB 4.27Å; Q159-P286 CarbonylContact O-C 3.58Å; Q159-P286 WeakPolarHBondContact O-CA 3.24Å; Q159-Y287 WeakPolarHBondContact CG-O 3.4Å; Q159-Y287 PolarHBondContact O-N 2.81Å; Q159-I293 PolarHBondContact NE2-O 3.12Å; Q159-G294 VanDerWaalsContact NE2-C 3.27Å
160T96.5Very high94.8Very high2 Ų220.6 Ų20.61%0.01211%0.109CC..THydrogen-bonded Turntrans-92.9-60.5172.3-59.90000112.1D156 L157 D158 R193 D270 V284D156-T160 HydrophobicContact CB-CG2 4.1Å; D156-T160 WeakPolarHBondContact CB-OG1 3.35Å; D156-T160 WeakPolarHBondContact O-CB 3.48Å; D156-T160 WeakPolarHBondContact O-CG2 3.4Å; D156-T160 WeakPolarHBondContact OD2-CB 3.32Å; D156-T160 PolarHBondContact OD2-OG1 2.87Å; L157-T160 PolarHBondContact O-N 3.46Å; L157-T160 VanDerWaalsContact O-N 3.14Å; D158-T160 PolarHBondContact O-N 3.16Å; T160-R193 WeakPolarHBondContact O-CD 3.46Å; T160-R193 PolarHBondContact O-NH1 2.84Å; T160-D270 PolarHBondContact OG1-N 3.06Å; T160-D270 VanDerWaalsContact OG1-N 3.15Å; T160-V284 HydrophobicContact CG2-CG2 4.13Å
161I96.4Very high94Very high4 Ų424.5 Ų24.52%0.02113%0.127CC..THydrogen-bonded Turntrans-122-7.7176.561.4167.2000114.6V155 L157 R193 L196 I227V155-I161 HydrophobicContact CG1-CD1 3.98Å; V155-I161 HydrophobicContact CG1-CG1 4.45Å; V155-I161 HydrophobicContact CG1-CG2 4.16Å; L157-I161 HydrophobicContact CD2-CD1 3.86Å; L157-I161 HydrophobicContact CD2-CG1 4.13Å; L157-I161 PolarHBondContact O-N 3Å; I161-R193 WeakPolarHBondContact O-CB 3.46Å; I161-R193 PolarHBondContact O-N 2.91Å; I161-L196 HydrophobicContact CB-CD1 3.81Å; I161-L196 HydrophobicContact CB-CD2 4.32Å; I161-L196 HydrophobicContact CD1-CD1 4.14Å; I161-L196 HydrophobicContact CD1-CD2 4.31Å; I161-L196 HydrophobicContact CG2-CD1 3.92Å; I161-I227 HydrophobicContact CD1-CD1 4.12Å
162I96Very high93.4Very high0 Ų028 Ų280%014%0.142CC..EExtended strand (participates in β ladder)trans-138.6164.817560.9163000110.8L157 Q159 T190 R191 L192 L223 I227L157-I162 HydrophobicContact CB-CD1 4.11Å; L157-I162 HydrophobicContact CB-CG1 4.1Å; L157-I162 WeakPolarHBondContact O-CG1 3.46Å; L157-I162 PolarHBondContact O-N 3.46Å; Q159-I162 WeakPolarHBondContact CA-O 3.45Å; Q159-I162 PolarHBondContact N-O 3.5Å; I162-T190 HydrophobicContact CB-CG2 3.8Å; I162-T190 HydrophobicContact CD1-CG2 3.86Å; I162-T190 HydrophobicContact CG1-CG2 4.4Å; I162-T190 HydrophobicContact CG2-CG2 4.07Å; I162-R191 WeakPolarHBondContact CA-O 3.42Å; I162-L192 HydrophobicContact CG2-CD2 3.55Å; I162-L223 HydrophobicContact CD1-CD1 3.33Å; I162-L223 HydrophobicContact CD1-CD2 3.73Å; I162-L223 HydrophobicContact CD1-CG 4.12Å; I162-I227 HydrophobicContact CG2-CD1 3.88Å
163H95.4Very high92.8Very high2 Ų229.3 Ų29.31%0.00915%0.146CC..EExtended strand (participates in β ladder)trans-132.6134.9161.3-166.2-153.1000109.5Q159 T190 R191 Y287 F289 F290 I293Q159-H163 PolarHBondContact NE2-NE2 3.44Å; H163-T190 CarbonylContact O-C 3.57Å; H163-T190 WeakPolarHBondContact O-CA 3.27Å; H163-R191 PolarHBondContact N-O 2.82Å; H163-R191 PolarHBondContact O-N 3.34Å; H163-Y287 HydrophobicContact CB-CD1 3.79Å; H163-Y287 HydrophobicContact CB-CE1 4.05Å; H163-F289 HydrophobicContact CB-CB 4.34Å; H163-F289 PolarHBondContact ND1-N 2.89Å; H163-F290 PolarHBondContact CE1-O 3.38Å; H163-F290 AromaticContact ND1-CD2 3.8Å; H163-F290 PolarHBondContact ND1-N 2.89Å; H163-F290 WeakPolarHBondContact O-CE2 3.23Å; H163-I293 PolarHBondContact CE1-O 2.88Å
164T95.6Very high92.1Very high1 Ų134.7 Ų34.71%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-125.1140.3-174.5-55.80000111.1Y188 H189 T190 Y219 I296T164-Y188 HydrophobicContact CG2-CD1 4.05Å; T164-H189 CarbonylContact C-O 3.5Å; T164-H189 WeakPolarHBondContact CA-O 3.38Å; T164-T190 VanDerWaalsContact CG2-OG1 3.26Å; T164-T190 WeakPolarHBondContact CG2-OG1 3.4Å; T164-T190 WeakPolarHBondContact OG1-CG2 3.21Å; T164-T190 PolarHBondContact OG1-OG1 3.35Å; T164-Y219 VanDerWaalsContact CB-OH 3.25Å; T164-Y219 WeakPolarHBondContact CB-OH 3.41Å; T164-Y219 HydrophobicContact CG2-CE2 4.22Å; T164-Y219 PolarHBondContact OG1-OH 3.13Å; T164-I296 HydrophobicContact CG2-CD1 3.65Å; T164-I296 WeakPolarHBondContact O-CG2 3.35Å
165T94.3Very high91.5Very high5 Ų539.8 Ų39.83%0.03120%0.197CC..EExtended strand (participates in β ladder)trans-133.3156.9171.4-171.20000111.7D167 A170 H189 F290T165-D167 HydrophobicContact CG2-CB 4.01Å; T165-D167 WeakPolarHBondContact OG1-CB 3.31Å; T165-D167 PolarHBondContact OG1-N 3.04Å; T165-D167 VanDerWaalsContact OG1-N 3.12Å; T165-A170 HydrophobicContact CG2-CB 3.52Å; T165-H189 HydrophobicContact CG2-CB 4.05Å; T165-H189 PolarHBondContact N-O 3.47Å; T165-H189 PolarHBondContact O-N 2.7Å; T165-F290 HydrophobicContact CG2-CB 4.43Å; T165-F290 HydrophobicContact CG2-CD1 3.74Å; T165-F290 HydrophobicContact CG2-CD2 3.58Å; T165-F290 HydrophobicContact CG2-CE1 3.79Å; T165-F290 HydrophobicContact CG2-CE2 3.63Å; T165-F290 HydrophobicContact CG2-CG 3.63Å; T165-F290 HydrophobicContact CG2-CZ 3.75Å
166N92.2Very high91.2Very high58 Ų5840.9 Ų40.931%0.3120%0.204SC..  trans-101.88.4169.5-63-39.1000112P168 Y188N166-P168 VanDerWaalsContact O-CD 3.3Å; N166-P168 WeakPolarHBondContact O-CD 3.28Å; N166-Y188 VanDerWaalsContact OD1-CD1 3.28Å; N166-Y188 WeakPolarHBondContact OD1-CD1 3.01Å
167D91.3Very high91Very high60 Ų6044.2 Ų44.232%0.32122%0.219SC..  trans-61.5119.4176174.317.3000111.1T165 Q169 A170 H189T165-D167 HydrophobicContact CG2-CB 4.01Å; T165-D167 WeakPolarHBondContact OG1-CB 3.31Å; T165-D167 PolarHBondContact OG1-N 3.04Å; T165-D167 VanDerWaalsContact OG1-N 3.12Å; D167-Q169 PolarHBondContact O-N 3.38Å; D167-Q169 VanDerWaalsContact O-N 3.1Å; D167-Q169 PolarHBondContact OD1-N 2.7Å; D167-A170 VanDerWaalsContact O-CB 3.32Å; D167-A170 WeakPolarHBondContact O-CB 3.44Å; D167-A170 PolarHBondContact O-N 2.9Å; D167-A170 VanDerWaalsContact O-N 3.09Å; D167-H189 PolarHBondContact O-CE1 3.44Å; D167-H189 PolarHBondContact O-ND1 3.4Å
168P86.7Confident90.8Very high101 Ų10152.8 Ų52.866%0.65625%0.251SS*.THydrogen-bonded Turntrans-62-12.2175.4-23.335.4000114.9N166 F171N166-P168 VanDerWaalsContact O-CD 3.3Å; N166-P168 WeakPolarHBondContact O-CD 3.28Å; P168-F171 WeakPolarHBondContact O-CD1 3.37Å; P168-F171 WeakPolarHBondContact O-CE1 3.3Å
169Q86.3Confident90.7Very high117 Ų11753.7 Ų53.755%0.54725%0.254SS..THydrogen-bonded Turntrans-87.6-4.9174-56.5-167.911.200114.4D167 F171 K172D167-Q169 PolarHBondContact O-N 3.38Å; D167-Q169 VanDerWaalsContact O-N 3.1Å; D167-Q169 PolarHBondContact OD1-N 2.7Å; Q169-F171 PolarHBondContact O-N 3.15Å; Q169-K172 VanDerWaalsContact O-CD 3.27Å; Q169-K172 WeakPolarHBondContact O-CD 3.11Å; Q169-K172 WeakPolarHBondContact O-CE 3.05Å; Q169-K172 VanDerWaalsContact O-CG 3.23Å; Q169-K172 WeakPolarHBondContact O-CG 3.47Å; Q169-K172 PolarHBondContact O-N 2.94Å; Q169-K172 VanDerWaalsContact OE1-NZ 3.09Å
170A87.1Confident90.7Very high0 Ų061 Ų610%028%0.282CS..G310 helixtrans-67.9-18.6-172.400000114.5T165 D167 K172 Y173 H189 F290T165-A170 HydrophobicContact CG2-CB 3.52Å; D167-A170 VanDerWaalsContact O-CB 3.32Å; D167-A170 WeakPolarHBondContact O-CB 3.44Å; D167-A170 PolarHBondContact O-N 2.9Å; D167-A170 VanDerWaalsContact O-N 3.09Å; A170-K172 PolarHBondContact O-N 3.43Å; A170-K172 VanDerWaalsContact O-N 3.13Å; A170-Y173 WeakPolarHBondContact O-CD2 3.21Å; A170-Y173 PolarHBondContact O-N 3.09Å; A170-H189 HydrophobicContact CB-CB 3.58Å; A170-F290 HydrophobicContact CB-CD1 4.37Å; A170-F290 HydrophobicContact CB-CE1 3.77Å; A170-F290 HydrophobicContact CB-CZ 4.29Å
171F81.5Confident90.5Very high144 Ų14461.3 Ų61.363%0.63228%0.283SS*.G310 helixtrans-65.2-10.5176.673.3-94.9000114.6P168 Q169 Y173P168-F171 WeakPolarHBondContact O-CD1 3.37Å; P168-F171 WeakPolarHBondContact O-CE1 3.3Å; Q169-F171 PolarHBondContact O-N 3.15Å; F171-Y173 PolarHBondContact O-N 2.8Å
172K85.2Confident90.2Very high73 Ų7365 Ų6532%0.31731%0.308SS..G310 helixtrans-72.8-14.2178.773.3-163.2167.3-169.70114Q169 A170 I471Q169-K172 VanDerWaalsContact O-CD 3.27Å; Q169-K172 WeakPolarHBondContact O-CD 3.11Å; Q169-K172 WeakPolarHBondContact O-CE 3.05Å; Q169-K172 VanDerWaalsContact O-CG 3.23Å; Q169-K172 WeakPolarHBondContact O-CG 3.47Å; Q169-K172 PolarHBondContact O-N 2.94Å; Q169-K172 VanDerWaalsContact OE1-NZ 3.09Å; A170-K172 PolarHBondContact O-N 3.43Å; A170-K172 VanDerWaalsContact O-N 3.13Å; K172-I471 HydrophobicContact CB-CD1 4.49Å; K172-I471 HydrophobicContact CG-CG2 4.35Å; K172-I471 WeakPolarHBondContact O-CG2 3.29Å
173Y84.4Confident89.8Confident29 Ų2968.5 Ų68.511%0.11434%0.344CS..SBendtrans-98.2145.1176-46.9-71.3000110.4A170 F171 F289 F290 I471 I474 E475 M478A170-Y173 WeakPolarHBondContact O-CD2 3.21Å; A170-Y173 PolarHBondContact O-N 3.09Å; F171-Y173 PolarHBondContact O-N 2.8Å; Y173-F289 AromaticContact CD2-CE1 3.99Å; Y173-F289 HydrophobicContact CD2-CE1 3.99Å; Y173-F289 AromaticContact CG-CE1 3.98Å; Y173-F289 HydrophobicContact CG-CE1 3.98Å; Y173-F289 HydrophobicContact CG-CZ 4.12Å; Y173-F290 HydrophobicContact CD2-CD1 4.37Å; Y173-F290 HydrophobicContact CD2-CE1 4.02Å; Y173-F290 HydrophobicContact CE2-CD1 4.19Å; Y173-F290 HydrophobicContact CE2-CE1 4.28Å; Y173-I471 HydrophobicContact CD1-CG2 4.42Å; Y173-I474 HydrophobicContact CE1-CG2 4.37Å; Y173-E475 HydrophobicContact CD1-CB 4.46Å; Y173-M478 HydrophobicContact CD1-CE 4.29Å; Y173-M478 HydrophobicContact CE1-CE 4Å; Y173-M478 HydrophobicContact CE1-SD 4.2Å; Y173-M478 HydrophobicContact CE2-CE 4.43Å
174K84.4Confident89.4Confident115 Ų11569.5 Ų69.550%0.535%0.351SS..THydrogen-bonded Turntrans-73.5167.6173.4-54.9179.7-159.7116.60110.9V176 E475K174-V176 PolarHBondContact O-N 3Å; K174-E475 WeakPolarHBondContact CB-OE1 3.36Å; K174-E475 WeakPolarHBondContact CE-OE2 3.16Å; K174-E475 WeakPolarHBondContact CG-OE1 3.41Å; K174-E475 PolarHBondContact N-OE1 3.44Å; K174-E475 IonicContact NZ-OE2 3.12Å; K174-E475 PolarHBondContact NZ-OE2 3.15Å
175N85.6Confident89Confident108 Ų10874.8 Ų74.858%0.57839%0.386SS*.THydrogen-bonded Turntrans56.718.5175.1-52.2-22.1000113.7R191N175-R191 WeakPolarHBondContact O-CD 3.4Å
176V91.4Very high88.9Confident24 Ų2478.4 Ų78.415%0.14540%0.404CS..EExtended strand (participates in β ladder)trans-98.5113.3173.2172.90000108.1K174 H189 T190 R191 F289 F290K174-V176 PolarHBondContact O-N 3Å; V176-H189 HydrophobicContact CG1-CB 3.69Å; V176-T190 CarbonylContact C-O 3.57Å; V176-T190 WeakPolarHBondContact CA-O 3.48Å; V176-R191 HydrophobicContact CG2-CB 4.27Å; V176-F289 HydrophobicContact CG2-CE1 3.87Å; V176-F290 HydrophobicContact CG1-CZ 4.07Å; V176-F290 HydrophobicContact CG2-CE1 4.22Å; V176-F290 HydrophobicContact CG2-CZ 4.01Å
177H92.6Very high88.9Confident78 Ų7877.2 Ų77.236%0.36140%0.399SS..EExtended strand (participates in β ladder)trans-77.5129.9175.7-58.8-93.7000109.5H189 T190 M226H177-H189 WeakPolarHBondContact O-CA 3.49Å; H177-T190 PolarHBondContact N-O 2.94Å; H177-T190 PolarHBondContact O-N 2.85Å; H177-M226 HydrophobicContact CB-CE 3.49Å; H177-M226 VanDerWaalsContact CB-CE 3.49Å; H177-M226 HydrophobicContact CB-SD 3.49Å; H177-M226 WeakPolarHBondContact CB-SD 3.32Å
178R93.4Very high89.1Confident180 Ų18075.8 Ų75.868%0.67939%0.39SS*.EExtended strand (participates in β ladder)trans-111.5124.4-177.7-179.8-178.2174.1-133-0.2109.9V187 Y188R178-V187 HydrophobicContact CG-CG1 3.55Å; R178-Y188 WeakPolarHBondContact CA-O 3.32Å
179Y93.9Very high89.5Confident23 Ų2371.2 Ų71.29%0.0936%0.359CS..EExtended strand (participates in β ladder)trans-148167.9179.360.8-86.4000112.5L181 Y188 T190 Y219 Q222 L223 M226Y179-L181 HydrophobicContact CD2-CD2 4.07Å; Y179-L181 HydrophobicContact CE2-CD2 3.74Å; Y179-L181 HydrophobicContact CE2-CG 4.29Å; Y179-Y188 HydrophobicContact CD2-CD2 4.49Å; Y179-Y188 HydrophobicContact CD2-CG 4.46Å; Y179-Y188 HydrophobicContact CE2-CD2 4.26Å; Y179-Y188 AromaticContact CE2-CG 3.91Å; Y179-Y188 HydrophobicContact CE2-CG 3.91Å; Y179-Y188 PolarHBondContact N-O 2.89Å; Y179-Y188 PolarHBondContact O-N 3.05Å; Y179-T190 WeakPolarHBondContact CE1-OG1 3.27Å; Y179-T190 PolarHBondContact OH-OG1 3.09Å; Y179-Y219 WeakPolarHBondContact OH-CE2 3.28Å; Y179-Q222 HydrophobicContact CD2-CG 3.48Å; Y179-Q222 VanDerWaalsContact CD2-CG 3.48Å; Y179-Q222 HydrophobicContact CE2-CB 4.47Å; Y179-Q222 HydrophobicContact CE2-CG 3.63Å; Y179-Q222 HydrophobicContact CG-CG 4.07Å; Y179-L223 HydrophobicContact CE1-CD2 4.31Å; Y179-L223 WeakPolarHBondContact OH-CD2 3.45Å; Y179-M226 HydrophobicContact CD1-CE 3.62Å; Y179-M226 HydrophobicContact CE1-CE 3.62Å
180R93.7Very high89.9Confident156 Ų15665.6 Ų65.659%0.58933%0.333SS*.EExtended strand (participates in β ladder)trans-123.8131.4172.2179.4-177-69.1128.9-3.9107.7S184R180-S184 VanDerWaalsContact CD-O 3.28Å; R180-S184 WeakPolarHBondContact CD-O 3.18Å; R180-S184 WeakPolarHBondContact CG-O 3.1Å
181L92.9Very high90.2Very high9 Ų966.7 Ų66.75%0.04734%0.337CS..  trans-75.7143.7172.6-61.3179000110.3Y179 G183 S184 Y188 V218 Y219 Q222Y179-L181 HydrophobicContact CD2-CD2 4.07Å; Y179-L181 HydrophobicContact CE2-CD2 3.74Å; Y179-L181 HydrophobicContact CE2-CG 4.29Å; L181-G183 PolarHBondContact O-N 3.42Å; L181-S184 WeakPolarHBondContact O-CB 3.11Å; L181-S184 PolarHBondContact O-N 2.89Å; L181-Y188 HydrophobicContact CB-CE2 4.21Å; L181-Y188 HydrophobicContact CD1-CD2 4.4Å; L181-Y188 HydrophobicContact CD1-CE1 4.19Å; L181-Y188 HydrophobicContact CD1-CE2 3.74Å; L181-Y188 HydrophobicContact CG-CD2 3.99Å; L181-Y188 HydrophobicContact CG-CE2 3.66Å; L181-V218 HydrophobicContact CB-CG1 4.41Å; L181-V218 HydrophobicContact CD2-CG1 4.28Å; L181-Y219 HydrophobicContact CD1-CD2 4.18Å; L181-Q222 HydrophobicContact CD2-CB 3.88Å; L181-Q222 HydrophobicContact CD2-CG 4Å
182P90Very high90.9Very high81 Ų8161.3 Ų61.353%0.52632%0.315SS..THydrogen-bonded Turntrans-44138.7165.7-30.735.5000112.7S184 V218P182-S184 PolarHBondContact O-N 3.13Å; P182-V218 HydrophobicContact CB-CG1 4.49Å; P182-V218 HydrophobicContact CG-CG1 4.15Å
183G87.6Confident91.3Very high75 Ų7558 Ų5877%0.77330%0.301SS*.THydrogen-bonded Turntrans66-8.7-174.800000116.9L181L181-G183 PolarHBondContact O-N 3.42Å
184S87Confident91.7Very high22 Ų2257 Ų5715%0.15430%0.298CS..  trans-98.1131.8-176.3-168.50000112.5R180 L181 P182 L186R180-S184 VanDerWaalsContact CD-O 3.28Å; R180-S184 WeakPolarHBondContact CD-O 3.18Å; R180-S184 WeakPolarHBondContact CG-O 3.1Å; L181-S184 WeakPolarHBondContact O-CB 3.11Å; L181-S184 PolarHBondContact O-N 2.89Å; P182-S184 PolarHBondContact O-N 3.13Å; S184-L186 PolarHBondContact O-N 2.61Å; S184-L186 PolarHBondContact OG-N 3.28Å
185P88.1Confident92.2Very high112 Ų11255 Ų5573%0.72729%0.29SS*.  trans-74.7-16.3170.332.2-35.1000112.5
186L90.8Very high92.7Very high81 Ų8150.3 Ų50.342%0.42427%0.265SS..PPolyproline II helixtrans-75.6142.6-173.9-59.1178.4000111.9S184 Y188S184-L186 PolarHBondContact O-N 2.61Å; S184-L186 PolarHBondContact OG-N 3.28Å; L186-Y188 HydrophobicContact CB-CE2 3.89Å
187V92.7Very high92.8Very high34 Ų3455.7 Ų55.721%0.20629%0.288CS..EExtended strand (participates in β ladder)trans-100.7117171179.50000108R178 H189R178-V187 HydrophobicContact CG-CG1 3.55Å; V187-H189 PolarHBondContact O-ND1 3.08Å
188Y95.3Very high92.9Very high30 Ų3057.1 Ų57.112%0.11829%0.293CS..EExtended strand (participates in β ladder)trans-89.7135.5178.4-63.4-102.2000108.7T164 N166 R178 Y179 L181 L186 Y219 I296T164-Y188 HydrophobicContact CG2-CD1 4.05Å; N166-Y188 VanDerWaalsContact OD1-CD1 3.28Å; N166-Y188 WeakPolarHBondContact OD1-CD1 3.01Å; R178-Y188 WeakPolarHBondContact CA-O 3.32Å; Y179-Y188 HydrophobicContact CD2-CD2 4.49Å; Y179-Y188 HydrophobicContact CD2-CG 4.46Å; Y179-Y188 HydrophobicContact CE2-CD2 4.26Å; Y179-Y188 AromaticContact CE2-CG 3.91Å; Y179-Y188 HydrophobicContact CE2-CG 3.91Å; Y179-Y188 PolarHBondContact N-O 2.89Å; Y179-Y188 PolarHBondContact O-N 3.05Å; L181-Y188 HydrophobicContact CB-CE2 4.21Å; L181-Y188 HydrophobicContact CD1-CD2 4.4Å; L181-Y188 HydrophobicContact CD1-CE1 4.19Å; L181-Y188 HydrophobicContact CD1-CE2 3.74Å; L181-Y188 HydrophobicContact CG-CD2 3.99Å; L181-Y188 HydrophobicContact CG-CE2 3.66Å; L186-Y188 HydrophobicContact CB-CE2 3.89Å; Y188-Y219 HydrophobicContact CD1-CD2 4.3Å; Y188-Y219 AromaticContact CD1-CE2 3.99Å; Y188-Y219 HydrophobicContact CD1-CE2 3.99Å; Y188-Y219 HydrophobicContact CE1-CD2 4.34Å; Y188-Y219 HydrophobicContact CE1-CE2 4.32Å; Y188-I296 HydrophobicContact CD1-CD1 4.18Å; Y188-I296 HydrophobicContact CE1-CD1 4.21Å
189H95.2Very high93Very high4 Ų448.8 Ų48.82%0.01926%0.263CS..EExtended strand (participates in β ladder)trans-122.7110.2178-62.996.9000108.2T164 T165 D167 A170 V176 H177 V187 F290T164-H189 CarbonylContact C-O 3.5Å; T164-H189 WeakPolarHBondContact CA-O 3.38Å; T165-H189 HydrophobicContact CG2-CB 4.05Å; T165-H189 PolarHBondContact N-O 3.47Å; T165-H189 PolarHBondContact O-N 2.7Å; D167-H189 PolarHBondContact O-CE1 3.44Å; D167-H189 PolarHBondContact O-ND1 3.4Å; A170-H189 HydrophobicContact CB-CB 3.58Å; V176-H189 HydrophobicContact CG1-CB 3.69Å; H177-H189 WeakPolarHBondContact O-CA 3.49Å; V187-H189 PolarHBondContact O-ND1 3.08Å; H189-F290 HydrophobicContact CB-CZ 4.4Å; H189-F290 VanDerWaalsContact O-CE2 3.23Å; H189-F290 WeakPolarHBondContact O-CE2 3.44Å; H189-F290 WeakPolarHBondContact O-CZ 3.39Å
190T95.5Very high93.2Very high0 Ų048 Ų480%026%0.26CS..EExtended strand (participates in β ladder)trans-116.8123.9-173.8-60.40000111.3I162 H163 T164 V176 H177 Y179 L223I162-T190 HydrophobicContact CB-CG2 3.8Å; I162-T190 HydrophobicContact CD1-CG2 3.86Å; I162-T190 HydrophobicContact CG1-CG2 4.4Å; I162-T190 HydrophobicContact CG2-CG2 4.07Å; H163-T190 CarbonylContact O-C 3.57Å; H163-T190 WeakPolarHBondContact O-CA 3.27Å; T164-T190 VanDerWaalsContact CG2-OG1 3.26Å; T164-T190 WeakPolarHBondContact CG2-OG1 3.4Å; T164-T190 WeakPolarHBondContact OG1-CG2 3.21Å; T164-T190 PolarHBondContact OG1-OG1 3.35Å; V176-T190 CarbonylContact C-O 3.57Å; V176-T190 WeakPolarHBondContact CA-O 3.48Å; H177-T190 PolarHBondContact N-O 2.94Å; H177-T190 PolarHBondContact O-N 2.85Å; Y179-T190 WeakPolarHBondContact CE1-OG1 3.27Å; Y179-T190 PolarHBondContact OH-OG1 3.09Å; T190-L223 HydrophobicContact CG2-CD2 3.92Å
191R94.1Very high93.4Very high22 Ų2243.2 Ų43.28%0.08325%0.246CC..EExtended strand (participates in β ladder)trans-92.8125.5166.7-177.471.1171.596-14.8108.2I162 H163 N175 V176 Y287 F289 F290 D479I162-R191 WeakPolarHBondContact CA-O 3.42Å; H163-R191 PolarHBondContact N-O 2.82Å; H163-R191 PolarHBondContact O-N 3.34Å; N175-R191 WeakPolarHBondContact O-CD 3.4Å; V176-R191 HydrophobicContact CG2-CB 4.27Å; R191-Y287 HydrophobicContact CG-CE1 4.25Å; R191-Y287 WeakPolarHBondContact CG-OH 3.45Å; R191-F289 HydrophobicContact CB-CB 4.15Å; R191-F289 HydrophobicContact CB-CD1 3.64Å; R191-F289 HydrophobicContact CB-CE1 4.11Å; R191-F289 HydrophobicContact CB-CG 3.88Å; R191-F289 HydrophobicContact CG-CB 4.11Å; R191-F289 HydrophobicContact CG-CD1 3.76Å; R191-F289 HydrophobicContact CG-CD2 3.78Å; R191-F289 HydrophobicContact CG-CE1 4.04Å; R191-F289 HydrophobicContact CG-CE2 4.05Å; R191-F289 HydrophobicContact CG-CG 3.62Å; R191-F289 HydrophobicContact CG-CZ 4.17Å; R191-F290 HydrophobicContact CB-CE2 4.47Å; R191-F290 HydrophobicContact CB-CZ 4.4Å; R191-D479 IonicContact CZ-OD1 2.71Å; R191-D479 IonicContact CZ-OD2 3.9Å; R191-D479 IonicContact NE-OD1 2.73Å; R191-D479 PolarHBondContact NE-OD1 2.98Å; R191-D479 IonicContact NE-OD2 2.65Å; R191-D479 IonicContact NH2-OD1 3.28Å; R191-D479 PolarHBondContact NH2-OD1 2.71Å; R191-D479 IonicContact NH2-OD2 3.91Å; R191-D479 PolarHBondContact NH2-OD2 3.43Å
192L94.6Very high93.6Very high32 Ų3244.1 Ų44.117%0.16825%0.253CS..EExtended strand (participates in β ladder)trans-72.7140.3167.4-55.7-175.2000109.3I162 L196 M226 I227I162-L192 HydrophobicContact CG2-CD2 3.55Å; L192-L196 HydrophobicContact CB-CD2 4.25Å; L192-L196 HydrophobicContact CD2-CD2 4.34Å; L192-M226 HydrophobicContact CD2-SD 4.09Å; L192-I227 HydrophobicContact CD2-CD1 4.28Å; L192-I227 HydrophobicContact CD2-CG1 3.85Å
193R94.9Very high94Very high3 Ų340.4 Ų40.41%0.01123%0.229CC..PPolyproline II helixtrans-64.7143.9176.5-166.7170.6-166.6160.314.1110.6T160 I161 L196 K285 Y287 D482 L486T160-R193 WeakPolarHBondContact O-CD 3.46Å; T160-R193 PolarHBondContact O-NH1 2.84Å; I161-R193 WeakPolarHBondContact O-CB 3.46Å; I161-R193 PolarHBondContact O-N 2.91Å; R193-L196 WeakPolarHBondContact O-CB 3.44Å; R193-L196 PolarHBondContact O-N 3.35Å; R193-K285 VanDerWaalsContact CZ-O 3.28Å; R193-K285 PolarHBondContact NH1-O 3.46Å; R193-K285 PolarHBondContact NH2-O 3.11Å; R193-Y287 HydrophobicContact CB-CD1 3.77Å; R193-Y287 HydrophobicContact CB-CD2 4.49Å; R193-Y287 HydrophobicContact CB-CE1 3.82Å; R193-Y287 HydrophobicContact CB-CG 4.13Å; R193-Y287 HydrophobicContact CG-CD1 3.97Å; R193-Y287 HydrophobicContact CG-CD2 3.85Å; R193-Y287 HydrophobicContact CG-CE1 4.22Å; R193-Y287 HydrophobicContact CG-CE2 4.09Å; R193-Y287 HydrophobicContact CG-CG 3.79Å; R193-D482 IonicContact CZ-OD2 2.7Å; R193-D482 IonicContact NE-OD2 3.75Å; R193-D482 PolarHBondContact NE-OD2 3.02Å; R193-D482 VanDerWaalsContact NH2-CG 3.35Å; R193-D482 IonicContact NH2-OD1 3.54Å; R193-D482 PolarHBondContact NH2-OD1 3.16Å; R193-D482 VanDerWaalsContact NH2-OD1 3.12Å; R193-D482 IonicContact NH2-OD2 3.62Å; R193-D482 PolarHBondContact NH2-OD2 3.13Å; R193-L486 HydrophobicContact CB-CD1 3.84Å; R193-L486 HydrophobicContact CB-CG 4.47Å; R193-L486 HydrophobicContact CG-CD1 3.84Å; R193-L486 HydrophobicContact CG-CG 3.91Å
194P93.1Very high94.5Very high8 Ų838.2 Ų38.25%0.05220%0.201CC..THydrogen-bonded Turntrans-54.5147.2-176.5-30.338.2000114.3L196 D483 L486P194-L196 PolarHBondContact O-N 3.45Å; P194-L196 VanDerWaalsContact O-N 3.07Å; P194-D483 VanDerWaalsContact CB-OD1 3.31Å; P194-D483 WeakPolarHBondContact CB-OD1 3.39Å; P194-L486 WeakPolarHBondContact O-CD1 3.21Å
195H93.9Very high94.9Very high73 Ų7342.9 Ų42.934%0.33822%0.221SC..THydrogen-bonded Turntrans5710.9-176.5-51-52.3000117.6E197 K198 V199 D483 L487H195-E197 VanDerWaalsContact C-N 3.34Å; H195-E197 PolarHBondContact O-N 2.92Å; H195-E197 VanDerWaalsContact O-N 3.16Å; H195-K198 PolarHBondContact O-N 3.33Å; H195-K198 VanDerWaalsContact O-N 3.15Å; H195-V199 HydrophobicContact CB-CG2 4.39Å; H195-V199 WeakPolarHBondContact O-CG2 3.25Å; H195-V199 PolarHBondContact O-N 3.48Å; H195-D483 PolarHBondContact CD2-O 2.89Å; H195-L487 HydrophobicContact CB-CD2 4.02Å; H195-L487 HydrophobicContact CB-CG 4.16Å; H195-L487 WeakPolarHBondContact CD2-CD1 3.37Å
196L95.1Very high95.4Very high10 Ų1041.1 Ų41.15%0.05220%0.2CC..Hα-helixtrans-48.9-46.2-175.4-179.460000114.5I161 L192 R193 P194 V199 L200 I227 L486I161-L196 HydrophobicContact CB-CD1 3.81Å; I161-L196 HydrophobicContact CB-CD2 4.32Å; I161-L196 HydrophobicContact CD1-CD1 4.14Å; I161-L196 HydrophobicContact CD1-CD2 4.31Å; I161-L196 HydrophobicContact CG2-CD1 3.92Å; L192-L196 HydrophobicContact CB-CD2 4.25Å; L192-L196 HydrophobicContact CD2-CD2 4.34Å; R193-L196 WeakPolarHBondContact O-CB 3.44Å; R193-L196 PolarHBondContact O-N 3.35Å; P194-L196 PolarHBondContact O-N 3.45Å; P194-L196 VanDerWaalsContact O-N 3.07Å; L196-V199 PolarHBondContact O-N 3.15Å; L196-L200 HydrophobicContact CD1-CD1 3.8Å; L196-L200 HydrophobicContact CD1-CD2 4.47Å; L196-L200 HydrophobicContact CD1-CG 3.92Å; L196-L200 HydrophobicContact CG-CD1 3.89Å; L196-L200 HydrophobicContact CG-CG 4.37Å; L196-L200 WeakPolarHBondContact O-CG 3.42Å; L196-L200 PolarHBondContact O-N 3.43Å; L196-I227 HydrophobicContact CD2-CD1 4.4Å; L196-I227 HydrophobicContact CD2-CG1 4.3Å; L196-I227 HydrophobicContact CD2-CG2 4.02Å; L196-L486 HydrophobicContact CB-CD1 4.16Å; L196-L486 HydrophobicContact CD1-CD1 3.93Å
197E93.9Very high95.8Very high136 Ų13637.4 Ų37.464%0.63618%0.18SC*.Hα-helixtrans-64.6-48.5-179.5-173.3172.3-152.900112.5H195 V199 L200 D201H195-E197 VanDerWaalsContact C-N 3.34Å; H195-E197 PolarHBondContact O-N 2.92Å; H195-E197 VanDerWaalsContact O-N 3.16Å; E197-V199 PolarHBondContact O-N 2.84Å; E197-L200 PolarHBondContact O-N 3.08Å; E197-D201 PolarHBondContact O-N 3.19Å
198K94.9Very high95.9Very high108 Ų10838.8 Ų38.847%0.4719%0.185SC..Hα-helixtrans-54.1-40.5175.3179.1178.6175-175.60111.1H195 C202 L487 E978H195-K198 PolarHBondContact O-N 3.33Å; H195-K198 VanDerWaalsContact O-N 3.15Å; K198-C202 WeakPolarHBondContact O-CB 3.31Å; K198-C202 PolarHBondContact O-N 2.67Å; K198-C202 VanDerWaalsContact O-N 3.17Å; K198-L487 HydrophobicContact CD-CD2 4.07Å; K198-E978 IonicContact NZ-OE1 3.22Å
199V96.7Very high96Very high6 Ų637.5 Ų37.54%0.03618%0.18CC..Hα-helixtrans-75.2-39.8-178.5172.30000112.3H195 L196 E197 C202 L203 L486 L487 Q490H195-V199 HydrophobicContact CB-CG2 4.39Å; H195-V199 WeakPolarHBondContact O-CG2 3.25Å; H195-V199 PolarHBondContact O-N 3.48Å; L196-V199 PolarHBondContact O-N 3.15Å; E197-V199 PolarHBondContact O-N 2.84Å; V199-C202 PolarHBondContact O-N 2.89Å; V199-L203 HydrophobicContact CG1-CD1 3.66Å; V199-L203 HydrophobicContact CG1-CG 4.24Å; V199-L203 WeakPolarHBondContact O-CB 3.47Å; V199-L203 VanDerWaalsContact O-CG 3.26Å; V199-L203 WeakPolarHBondContact O-CG 3.39Å; V199-L203 PolarHBondContact O-N 3.43Å; V199-L486 HydrophobicContact CG2-CB 4.04Å; V199-L487 HydrophobicContact CG2-CD2 3.93Å; V199-Q490 HydrophobicContact CG1-CB 4.07Å; V199-Q490 HydrophobicContact CG1-CG 4.34Å; V199-Q490 HydrophobicContact CG2-CB 4.29Å
200L97.6Very high96Very high7 Ų738 Ų384%0.03718%0.182CC..Hα-helixtrans-68.1-41.1175.6-69.9174.3000112.3L196 E197 C202 L203 S204 M209 I227 Y233 F234L196-L200 HydrophobicContact CD1-CD1 3.8Å; L196-L200 HydrophobicContact CD1-CD2 4.47Å; L196-L200 HydrophobicContact CD1-CG 3.92Å; L196-L200 HydrophobicContact CG-CD1 3.89Å; L196-L200 HydrophobicContact CG-CG 4.37Å; L196-L200 WeakPolarHBondContact O-CG 3.42Å; L196-L200 PolarHBondContact O-N 3.43Å; E197-L200 PolarHBondContact O-N 3.08Å; L200-C202 VanDerWaalsContact C-N 3.34Å; L200-C202 PolarHBondContact O-N 2.98Å; L200-L203 PolarHBondContact O-N 2.79Å; L200-S204 VanDerWaalsContact O-CB 3.3Å; L200-S204 WeakPolarHBondContact O-CB 3.21Å; L200-S204 PolarHBondContact O-N 2.81Å; L200-M209 HydrophobicContact CB-CE 4.38Å; L200-M209 HydrophobicContact CD2-CE 3.96Å; L200-M209 HydrophobicContact CD2-SD 3.67Å; L200-M209 WeakPolarHBondContact O-CE 3.2Å; L200-I227 HydrophobicContact CD1-CG2 3.46Å; L200-I227 VanDerWaalsContact CD1-CG2 3.46Å; L200-Y233 HydrophobicContact CB-CD1 4.11Å; L200-Y233 HydrophobicContact CB-CD2 3.8Å; L200-Y233 HydrophobicContact CB-CE1 3.97Å; L200-Y233 HydrophobicContact CB-CE2 3.63Å; L200-Y233 HydrophobicContact CB-CG 4.02Å; L200-Y233 HydrophobicContact CD1-CD2 3.71Å; L200-Y233 HydrophobicContact CD1-CE2 3.85Å; L200-Y233 HydrophobicContact CD1-CG 4.47Å; L200-Y233 HydrophobicContact CG-CD2 4.32Å; L200-Y233 HydrophobicContact CG-CE2 4.4Å; L200-F234 HydrophobicContact CD1-CE2 4.21Å; L200-F234 HydrophobicContact CD1-CZ 4.4Å; L200-F234 HydrophobicContact CD2-CE2 4.43Å; L200-F234 HydrophobicContact CD2-CZ 3.88Å
201D97.2Very high96Very high54 Ų5438.1 Ų38.129%0.28918%0.183SC..Hα-helixtrans-62.2-41.5175.1-108.6-38.1000111.5E197 S204 Q205 R232 Y233E197-D201 PolarHBondContact O-N 3.19Å; D201-S204 PolarHBondContact O-OG 2.52Å; D201-Q205 PolarHBondContact O-NE2 3.26Å; D201-R232 VanDerWaalsContact CG-NH2 3.29Å; D201-R232 IonicContact OD1-CZ 2.64Å; D201-R232 VanDerWaalsContact OD1-CZ 3.25Å; D201-R232 IonicContact OD1-NH1 2.7Å; D201-R232 PolarHBondContact OD1-NH1 3.04Å; D201-R232 IonicContact OD1-NH2 2.92Å; D201-R232 PolarHBondContact OD1-NH2 3.44Å; D201-R232 VanDerWaalsContact OD1-NH2 3.16Å; D201-R232 IonicContact OD2-CZ 2.68Å; D201-R232 IonicContact OD2-NH1 2.61Å; D201-R232 PolarHBondContact OD2-NH1 3.12Å; D201-R232 IonicContact OD2-NH2 3.2Å; D201-R232 PolarHBondContact OD2-NH2 2.85Å; D201-Y233 HydrophobicContact CB-CE1 4.4Å; D201-Y233 VanDerWaalsContact CG-OH 3.31Å; D201-Y233 PolarHBondContact OD2-OH 2.82Å
202C97.7Very high95.9Very high28 Ų2837.1 Ų37.119%0.18918%0.179CC..Hα-helixtrans-63.7-55.4173.5-174.30000112K198 V199 L200 S204 Q205 Y206 Q490K198-C202 WeakPolarHBondContact O-CB 3.31Å; K198-C202 PolarHBondContact O-N 2.67Å; K198-C202 VanDerWaalsContact O-N 3.17Å; V199-C202 PolarHBondContact O-N 2.89Å; L200-C202 VanDerWaalsContact C-N 3.34Å; L200-C202 PolarHBondContact O-N 2.98Å; C202-S204 VanDerWaalsContact C-N 3.27Å; C202-S204 PolarHBondContact O-N 3.07Å; C202-Q205 PolarHBondContact O-N 2.68Å; C202-Y206 WeakPolarHBondContact O-CD2 3.28Å; C202-Q490 HydrophobicContact CB-CG 4.37Å; C202-Q490 VanDerWaalsContact SG-CD 3.55Å
203L98Very high95.9Very high4 Ų435.6 Ų35.62%0.02117%0.171CC..Hα-helixtrans-64.8-28.3-175.2-69.3174.1000113L153 V199 L200 Q205 Y206 Y207 M209 Q490 L493L153-L203 HydrophobicContact CD2-CD1 4.18Å; V199-L203 HydrophobicContact CG1-CD1 3.66Å; V199-L203 HydrophobicContact CG1-CG 4.24Å; V199-L203 WeakPolarHBondContact O-CB 3.47Å; V199-L203 VanDerWaalsContact O-CG 3.26Å; V199-L203 WeakPolarHBondContact O-CG 3.39Å; V199-L203 PolarHBondContact O-N 3.43Å; L200-L203 PolarHBondContact O-N 2.79Å; L203-Q205 PolarHBondContact O-N 2.82Å; L203-Q205 VanDerWaalsContact O-N 3.08Å; L203-Y206 PolarHBondContact O-N 2.99Å; L203-Y207 HydrophobicContact CD2-CD2 4Å; L203-Y207 HydrophobicContact CD2-CE2 4.14Å; L203-Y207 PolarHBondContact O-N 3.43Å; L203-M209 HydrophobicContact CB-SD 4.03Å; L203-Q490 HydrophobicContact CD2-CG 4.18Å; L203-Q490 HydrophobicContact CG-CG 4.29Å; L203-L493 HydrophobicContact CD1-CD1 3.66Å; L203-L493 HydrophobicContact CD2-CB 3.8Å; L203-L493 HydrophobicContact CD2-CD1 3.95Å; L203-L493 HydrophobicContact CG-CD1 4.5Å
204S97.2Very high95.9Very high29 Ų2935.9 Ų35.920%0.20317%0.173CC..Hα-helixtrans-57-24.5177.376.10000114.3K150 L200 D201 C202K150-S204 PolarHBondContact NZ-O 2.83Å; L200-S204 VanDerWaalsContact O-CB 3.3Å; L200-S204 WeakPolarHBondContact O-CB 3.21Å; L200-S204 PolarHBondContact O-N 2.81Å; D201-S204 PolarHBondContact O-OG 2.52Å; C202-S204 VanDerWaalsContact C-N 3.27Å; C202-S204 PolarHBondContact O-N 3.07Å
205Q97.2Very high95.8Very high119 Ų11935.5 Ų35.556%0.55617%0.17SC*.Hα-helixtrans-75.7-31177.5-62.3169.349.400111.7K150 D201 C202 L203K150-Q205 WeakPolarHBondContact CE-O 3.44Å; D201-Q205 PolarHBondContact O-NE2 3.26Å; C202-Q205 PolarHBondContact O-N 2.68Å; L203-Q205 PolarHBondContact O-N 2.82Å; L203-Q205 VanDerWaalsContact O-N 3.08Å
206Y98.3Very high95.7Very high75 Ų7534.4 Ų34.429%0.29417%0.167SC..Hα-helixtrans-107.3-19.9-172.7-59.6-87.3000113.5K150 L151 C202 L203 L494 H497K150-Y206 VanDerWaalsContact CA-O 3.29Å; K150-Y206 WeakPolarHBondContact CA-O 3.15Å; L151-Y206 PolarHBondContact N-O 3.34Å; C202-Y206 WeakPolarHBondContact O-CD2 3.28Å; L203-Y206 PolarHBondContact O-N 2.99Å; Y206-L494 HydrophobicContact CD1-CD2 4.02Å; Y206-L494 HydrophobicContact CD2-CD2 3.35Å; Y206-L494 HydrophobicContact CE1-CD2 4.16Å; Y206-L494 HydrophobicContact CE2-CD2 3.53Å; Y206-L494 HydrophobicContact CG-CD2 3.62Å; Y206-H497 AromaticContact CD1-CE1 3.65Å; Y206-H497 AromaticContact CD1-CG 3.98Å; Y206-H497 AromaticContact CD1-ND1 3.71Å; Y206-H497 AromaticContact CD1-NE2 3.86Å; Y206-H497 PolarHBondContact O-CD2 2.94Å; Y206-H497 VanDerWaalsContact O-CD2 3.24Å
207Y98.4Very high95.5Very high3 Ų337.7 Ų37.71%0.01218%0.178CC..EExtended strand (participates in β ladder)trans-134.6137.8-174.2-70.4-90.1000112.4L151 L153 L203 C266 L493 H497L151-Y207 HydrophobicContact CB-CD1 3.54Å; L151-Y207 HydrophobicContact CB-CE1 3.45Å; L151-Y207 VanDerWaalsContact CB-CE1 3.45Å; L151-Y207 HydrophobicContact CB-CG 4.49Å; L151-Y207 HydrophobicContact CD1-CE1 3.87Å; L151-Y207 HydrophobicContact CG-CE1 4.27Å; L151-Y207 CarbonylContact O-C 3.48Å; L151-Y207 VanDerWaalsContact O-CA 3.28Å; L151-Y207 WeakPolarHBondContact O-CA 3.41Å; L153-Y207 HydrophobicContact CB-CD1 3.65Å; L153-Y207 HydrophobicContact CB-CE1 4.39Å; L153-Y207 HydrophobicContact CB-CG 3.98Å; L203-Y207 HydrophobicContact CD2-CD2 4Å; L203-Y207 HydrophobicContact CD2-CE2 4.14Å; L203-Y207 PolarHBondContact O-N 3.43Å; Y207-C266 HydrophobicContact CE1-CB 4.04Å; Y207-L493 HydrophobicContact CE2-CB 4Å; Y207-L493 PolarHBondContact OH-O 3.17Å; Y207-H497 HydrophobicContact CE2-CB 4.23Å
208Q96.1Very high95.4Very high64 Ų6434.3 Ų34.330%0.29917%0.167SC..EExtended strand (participates in β ladder)trans-81.1114.5158.7-174-178.869.100107.9L145 L151 V152 L153L145-Q208 HydrophobicContact CD2-CB 3.81Å; L151-Q208 PolarHBondContact O-N 2.7Å; V152-Q208 WeakPolarHBondContact CA-O 3.46Å; L153-Q208 PolarHBondContact N-O 3.49Å
209M96.3Very high95.4Very high2 Ų229.2 Ų29.21%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-98.1138.5-171.8-59.5-174.7-76.100112.2L153 L200 L203 Y233 F234 R237L153-M209 HydrophobicContact CB-CG 4.28Å; L153-M209 HydrophobicContact CD2-CG 4.37Å; L153-M209 HydrophobicContact CD2-SD 4.45Å; L153-M209 WeakPolarHBondContact O-CA 3.38Å; L200-M209 HydrophobicContact CB-CE 4.38Å; L200-M209 HydrophobicContact CD2-CE 3.96Å; L200-M209 HydrophobicContact CD2-SD 3.67Å; L200-M209 WeakPolarHBondContact O-CE 3.2Å; L203-M209 HydrophobicContact CB-SD 4.03Å; M209-Y233 HydrophobicContact CE-CD1 4.1Å; M209-Y233 HydrophobicContact CE-CG 4.17Å; M209-F234 HydrophobicContact CB-CD1 3.87Å; M209-F234 HydrophobicContact CB-CE1 3.71Å; M209-R237 PolarHBondContact O-NE 3.17Å
210H94.8Very high95.3Very high16 Ų1629 Ų297%0.07414%0.143CC..EExtended strand (participates in β ladder)trans-127.1138.3177.4-63.5-132.1000109.4H122 L153 L154 V155 R237H122-H210 AromaticContact NE2-ND1 3.71Å; L153-H210 PolarHBondContact O-N 3.11Å; L154-H210 HydrophobicContact CD2-CB 3.78Å; V155-H210 PolarHBondContact N-O 2.99Å; H210-R237 CarbonylContact C-O 3.58Å; H210-R237 WeakPolarHBondContact CA-O 3.4Å; H210-R237 HydrophobicContact CB-CB 4.15Å
211I95.3Very high95.1Very high1 Ų132 Ų321%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-82.3133.7167.3-70.1170.2000109.1V155 L157 T213 A224 F234 R237 I238 L239V155-I211 CarbonylContact O-C 3.46Å; V155-I211 WeakPolarHBondContact O-CA 3.36Å; L157-I211 HydrophobicContact CD1-CG2 3.94Å; L157-I211 HydrophobicContact CD2-CD1 4.15Å; L157-I211 HydrophobicContact CD2-CG1 4.13Å; L157-I211 HydrophobicContact CD2-CG2 4.02Å; L157-I211 HydrophobicContact CG-CG2 3.93Å; I211-T213 HydrophobicContact CG2-CG2 4Å; I211-A224 HydrophobicContact CD1-CB 3.95Å; I211-F234 HydrophobicContact CD1-CB 4.29Å; I211-F234 HydrophobicContact CD1-CD1 4.21Å; I211-F234 HydrophobicContact CD1-CD2 3.82Å; I211-F234 HydrophobicContact CD1-CE1 4.49Å; I211-F234 HydrophobicContact CD1-CE2 4.15Å; I211-F234 HydrophobicContact CD1-CG 3.85Å; I211-F234 HydrophobicContact CD1-CZ 4.47Å; I211-F234 HydrophobicContact CG1-CB 4.45Å; I211-F234 HydrophobicContact CG1-CD1 3.65Å; I211-F234 HydrophobicContact CG1-CD2 4.15Å; I211-F234 HydrophobicContact CG1-CE1 3.79Å; I211-F234 HydrophobicContact CG1-CE2 4.3Å; I211-F234 HydrophobicContact CG1-CG 3.83Å; I211-F234 HydrophobicContact CG1-CZ 4.12Å; I211-R237 PolarHBondContact N-O 3.4Å; I211-I238 HydrophobicContact CB-CG1 4.34Å; I211-I238 HydrophobicContact CB-CG2 4.24Å; I211-I238 HydrophobicContact CD1-CG1 4.33Å; I211-I238 HydrophobicContact CG2-CG2 4.09Å; I211-L239 PolarHBondContact O-N 2.96Å
212C93.8Very high95Very high2 Ų232.5 Ų32.51%0.01416%0.157CC..EExtended strand (participates in β ladder)trans-138.791.4174.4-170.60000110.7V155 L239 K250 W275V155-C212 PolarHBondContact O-N 3.08Å; C212-L239 WeakPolarHBondContact CA-O 3.36Å; C212-K250 WeakPolarHBondContact O-CE 3.2Å; C212-K250 PolarHBondContact O-NZ 3.2Å; C212-W275 HydrophobicContact CB-CH2 4.42Å; C212-W275 HydrophobicContact CB-CZ2 4.28Å
213T94.4Very high94.9Very high0 Ų031.1 Ų31.10%015%0.148CC..  trans-121.3153.6-169.1-179.30000112.9L157 I211 G215 A220 L239 S240 R241L157-T213 HydrophobicContact CD1-CG2 3.89Å; L157-T213 HydrophobicContact CG-CG2 4.39Å; I211-T213 HydrophobicContact CG2-CG2 4Å; T213-G215 VanDerWaalsContact C-N 3.34Å; T213-G215 PolarHBondContact OG1-N 3.28Å; T213-A220 HydrophobicContact CG2-CB 3.76Å; T213-L239 PolarHBondContact N-O 3.07Å; T213-S240 CarbonylContact O-C 3.59Å; T213-S240 WeakPolarHBondContact O-CA 3.38Å; T213-R241 PolarHBondContact O-N 3.16Å; T213-R241 VanDerWaalsContact O-N 3.16Å
214F93.3Very high94.8Very high9 Ų931.5 Ų31.54%0.03915%0.152CC..SBendtrans-88.75.2166.1-77.6-40.4000114.4R241 K250 V274F214-R241 HydrophobicContact CD1-CB 4.4Å; F214-R241 HydrophobicContact CD1-CG 4.38Å; F214-R241 WeakPolarHBondContact O-CB 3.44Å; F214-R241 WeakPolarHBondContact O-CD 3.5Å; F214-R241 VanDerWaalsContact O-CZ 3.28Å; F214-R241 PolarHBondContact O-NE 3.16Å; F214-R241 PolarHBondContact O-NH1 2.78Å; F214-K250 HydrophobicContact CD2-CG 4.5Å; F214-K250 HydrophobicContact CE1-CG 3.9Å; F214-K250 HydrophobicContact CE2-CG 3.92Å; F214-K250 HydrophobicContact CZ-CG 3.58Å; F214-V274 HydrophobicContact CD2-CG1 4.31Å; F214-V274 HydrophobicContact CE2-CB 3.83Å; F214-V274 HydrophobicContact CE2-CG1 3.67Å
215G92.3Very high94.6Very high0 Ų033.1 Ų33.10%016%0.163CC..SBendtrans-60.7158.5158.300000112.1T213 S240 R241 N297T213-G215 VanDerWaalsContact C-N 3.34Å; T213-G215 PolarHBondContact OG1-N 3.28Å; G215-S240 WeakPolarHBondContact O-CB 3.37Å; G215-R241 WeakPolarHBondContact O-CB 3.31Å; G215-R241 PolarHBondContact O-N 3.43Å; G215-N297 VanDerWaalsContact CA-CG 3.49Å
216N91.4Very high94.4Very high49 Ų4929.4 Ų29.426%0.26215%0.146SC..  trans-76.3166.6171.4752.9000110.9V218 Y219 A220 D242N216-V218 VanDerWaalsContact C-N 3.29Å; N216-V218 PolarHBondContact O-N 2.93Å; N216-Y219 PolarHBondContact O-N 2.93Å; N216-Y219 WeakPolarHBondContact OD1-CB 3.13Å; N216-Y219 PolarHBondContact OD1-N 3Å; N216-A220 WeakPolarHBondContact O-CB 3.33Å; N216-A220 PolarHBondContact O-N 3.11Å; N216-D242 WeakPolarHBondContact CA-OD2 3.22Å; N216-D242 WeakPolarHBondContact CB-OD2 3.41Å
217R90.5Very high94.3Very high79 Ų7926.5 Ų26.530%0.29814%0.136SC..Hα-helixtrans-58-41.3-175.3-169.6-176.8-177110.5-10.3112.3A123 A220 H221 S240 D242 E243A123-R217 PolarHBondContact O-NH1 2.82Å; A123-R217 PolarHBondContact O-NH2 3.37Å; R217-A220 PolarHBondContact O-N 3.31Å; R217-H221 WeakPolarHBondContact O-CB 3.31Å; R217-H221 PolarHBondContact O-CD2 3.49Å; R217-H221 VanDerWaalsContact O-CD2 3.27Å; R217-H221 PolarHBondContact O-N 2.99Å; R217-S240 WeakPolarHBondContact CA-OG 3.36Å; R217-S240 PolarHBondContact N-OG 3.38Å; R217-D242 HydrophobicContact CB-CB 4.49Å; R217-D242 WeakPolarHBondContact CB-OD2 3.36Å; R217-D242 PolarHBondContact N-OD2 3.03Å; R217-E243 VanDerWaalsContact CD-OE1 3.26Å; R217-E243 WeakPolarHBondContact CD-OE1 3.47Å; R217-E243 IonicContact CZ-OE1 3.18Å; R217-E243 IonicContact NE-OE1 3.33Å; R217-E243 IonicContact NH1-OE1 2.7Å; R217-E243 PolarHBondContact NH1-OE1 3.41Å
218V92.8Very high94.2Very high65 Ų6526.7 Ų26.739%0.39414%0.137SC..Hα-helixtrans-63.5-43.9-179.7-169.90000111.1L181 P182 N216 Q222L181-V218 HydrophobicContact CB-CG1 4.41Å; L181-V218 HydrophobicContact CD2-CG1 4.28Å; P182-V218 HydrophobicContact CB-CG1 4.49Å; P182-V218 HydrophobicContact CG-CG1 4.15Å; N216-V218 VanDerWaalsContact C-N 3.29Å; N216-V218 PolarHBondContact O-N 2.93Å; V218-Q222 VanDerWaalsContact O-CB 3.28Å; V218-Q222 WeakPolarHBondContact O-CB 3.31Å; V218-Q222 PolarHBondContact O-N 2.73Å
219Y94.8Very high94.1Very high2 Ų228.3 Ų28.31%0.00815%0.153CC..Hα-helixtrans-64.7-47.8174.3-179.4-102.7000112D158 T164 Y179 L181 Y188 N216 H221 Q222 L223 I296 N297D158-Y219 PolarHBondContact OD1-OH 3.03Å; D158-Y219 WeakPolarHBondContact OD2-CE1 3.31Å; T164-Y219 VanDerWaalsContact CB-OH 3.25Å; T164-Y219 WeakPolarHBondContact CB-OH 3.41Å; T164-Y219 HydrophobicContact CG2-CE2 4.22Å; T164-Y219 PolarHBondContact OG1-OH 3.13Å; Y179-Y219 WeakPolarHBondContact OH-CE2 3.28Å; L181-Y219 HydrophobicContact CD1-CD2 4.18Å; Y188-Y219 HydrophobicContact CD1-CD2 4.3Å; Y188-Y219 AromaticContact CD1-CE2 3.99Å; Y188-Y219 HydrophobicContact CD1-CE2 3.99Å; Y188-Y219 HydrophobicContact CE1-CD2 4.34Å; Y188-Y219 HydrophobicContact CE1-CE2 4.32Å; N216-Y219 PolarHBondContact O-N 2.93Å; N216-Y219 WeakPolarHBondContact OD1-CB 3.13Å; N216-Y219 PolarHBondContact OD1-N 3Å; Y219-H221 PolarHBondContact O-N 3.05Å; Y219-Q222 PolarHBondContact O-N 2.91Å; Y219-L223 HydrophobicContact CD1-CD1 3.65Å; Y219-L223 HydrophobicContact CD2-CD1 4.25Å; Y219-L223 HydrophobicContact CE1-CD1 3.27Å; Y219-L223 HydrophobicContact CE2-CD1 3.92Å; Y219-L223 HydrophobicContact CG-CD1 4.14Å; Y219-L223 VanDerWaalsContact CZ-CD1 3.43Å; Y219-L223 WeakPolarHBondContact O-CG 3.26Å; Y219-L223 PolarHBondContact O-N 2.87Å; Y219-I296 HydrophobicContact CE2-CD1 4.21Å; Y219-N297 WeakPolarHBondContact CE1-ND2 3.21Å
220A94.9Very high93.9Very high0 Ų036 Ų360%019%0.187CC..Hα-helixtrans-60.6-43.1179.800000112.2T213 N216 R217 L223 A224 I238T213-A220 HydrophobicContact CG2-CB 3.76Å; N216-A220 WeakPolarHBondContact O-CB 3.33Å; N216-A220 PolarHBondContact O-N 3.11Å; R217-A220 PolarHBondContact O-N 3.31Å; A220-L223 PolarHBondContact O-N 3.33Å; A220-A224 VanDerWaalsContact O-CB 3.29Å; A220-A224 WeakPolarHBondContact O-CB 3.37Å; A220-A224 PolarHBondContact O-N 3Å; A220-I238 HydrophobicContact CB-CG2 3.91Å
221H93Very high93.8Very high72 Ų7242.8 Ų42.833%0.33321%0.212SC..Hα-helixtrans-69.5-36.8175.9-85.4-96.4000113.1R217 Y219 L223 A224 S225R217-H221 WeakPolarHBondContact O-CB 3.31Å; R217-H221 PolarHBondContact O-CD2 3.49Å; R217-H221 VanDerWaalsContact O-CD2 3.27Å; R217-H221 PolarHBondContact O-N 2.99Å; Y219-H221 PolarHBondContact O-N 3.05Å; H221-L223 VanDerWaalsContact C-N 3.29Å; H221-L223 PolarHBondContact O-N 3.08Å; H221-A224 PolarHBondContact O-N 3.36Å; H221-S225 PolarHBondContact O-N 3.31Å; H221-S225 PolarHBondContact O-OG 3.15Å
222Q95.1Very high93.7Very high63 Ų6348 Ų4829%0.29423%0.231SC..Hα-helixtrans-68.5-27.6176.8-178.757.88100112.9Y179 L181 V218 Y219 S225Y179-Q222 HydrophobicContact CD2-CG 3.48Å; Y179-Q222 VanDerWaalsContact CD2-CG 3.48Å; Y179-Q222 HydrophobicContact CE2-CB 4.47Å; Y179-Q222 HydrophobicContact CE2-CG 3.63Å; Y179-Q222 HydrophobicContact CG-CG 4.07Å; L181-Q222 HydrophobicContact CD2-CB 3.88Å; L181-Q222 HydrophobicContact CD2-CG 4Å; V218-Q222 VanDerWaalsContact O-CB 3.28Å; V218-Q222 WeakPolarHBondContact O-CB 3.31Å; V218-Q222 PolarHBondContact O-N 2.73Å; Y219-Q222 PolarHBondContact O-N 2.91Å; Q222-S225 PolarHBondContact NE2-OG 2.78Å; Q222-S225 PolarHBondContact O-OG 3.15Å; Q222-S225 VanDerWaalsContact O-OG 3.09Å
223L95.8Very high93.8Very high0 Ų048.2 Ų48.20%023%0.232CC..Hα-helixtrans-82.9-38.9171.7-70.9168.4000112L157 I162 Y179 T190 Y219 A220 H221 S225 M226 I227L157-L223 HydrophobicContact CD1-CB 4.28Å; L157-L223 HydrophobicContact CD1-CD1 3.87Å; I162-L223 HydrophobicContact CD1-CD1 3.33Å; I162-L223 HydrophobicContact CD1-CD2 3.73Å; I162-L223 HydrophobicContact CD1-CG 4.12Å; Y179-L223 HydrophobicContact CE1-CD2 4.31Å; Y179-L223 WeakPolarHBondContact OH-CD2 3.45Å; T190-L223 HydrophobicContact CG2-CD2 3.92Å; Y219-L223 HydrophobicContact CD1-CD1 3.65Å; Y219-L223 HydrophobicContact CD2-CD1 4.25Å; Y219-L223 HydrophobicContact CE1-CD1 3.27Å; Y219-L223 HydrophobicContact CE2-CD1 3.92Å; Y219-L223 HydrophobicContact CG-CD1 4.14Å; Y219-L223 VanDerWaalsContact CZ-CD1 3.43Å; Y219-L223 WeakPolarHBondContact O-CG 3.26Å; Y219-L223 PolarHBondContact O-N 2.87Å; A220-L223 PolarHBondContact O-N 3.33Å; H221-L223 VanDerWaalsContact C-N 3.29Å; H221-L223 PolarHBondContact O-N 3.08Å; L223-S225 VanDerWaalsContact C-N 3.3Å; L223-S225 PolarHBondContact O-N 2.99Å; L223-M226 HydrophobicContact CD2-CE 4.3Å; L223-M226 HydrophobicContact CD2-SD 4.36Å; L223-M226 WeakPolarHBondContact O-CB 3.42Å; L223-M226 PolarHBondContact O-N 3.14Å; L223-I227 HydrophobicContact CB-CD1 4.47Å; L223-I227 WeakPolarHBondContact O-CB 3.38Å; L223-I227 WeakPolarHBondContact O-CG1 3.5Å; L223-I227 PolarHBondContact O-N 2.82Å
224A95Very high93.7Very high12 Ų1248.3 Ų48.310%0.09923%0.232CC..Hα-helixtrans-62.4-35.6175.100000112.3I211 A220 H221 M226 D228 I238I211-A224 HydrophobicContact CD1-CB 3.95Å; A220-A224 VanDerWaalsContact O-CB 3.29Å; A220-A224 WeakPolarHBondContact O-CB 3.37Å; A220-A224 PolarHBondContact O-N 3Å; H221-A224 PolarHBondContact O-N 3.36Å; A224-M226 VanDerWaalsContact C-N 3.28Å; A224-M226 PolarHBondContact O-N 2.7Å; A224-D228 CarbonylContact O-C 3.6Å; A224-D228 WeakPolarHBondContact O-CA 3.11Å; A224-D228 PolarHBondContact O-N 3.28Å; A224-I238 HydrophobicContact CB-CD1 3.57Å
225S93.3Very high93.5Very high63 Ų6349.9 Ų49.944%0.44124%0.244SC..Hα-helixtrans-70.7-21.8173.661.10000113.9H221 Q222 L223 P229H221-S225 PolarHBondContact O-N 3.31Å; H221-S225 PolarHBondContact O-OG 3.15Å; Q222-S225 PolarHBondContact NE2-OG 2.78Å; Q222-S225 PolarHBondContact O-OG 3.15Å; Q222-S225 VanDerWaalsContact O-OG 3.09Å; L223-S225 VanDerWaalsContact C-N 3.3Å; L223-S225 PolarHBondContact O-N 2.99Å; S225-P229 WeakPolarHBondContact O-CA 3.4Å; S225-P229 WeakPolarHBondContact O-CB 3.37Å
226M93.7Very high93.2Very high40 Ų4056 Ų5620%0.19727%0.273CS..Hα-helixtrans-84.6-41.2176-178.5-168.9-59.200112.2H177 Y179 L192 L223 A224H177-M226 HydrophobicContact CB-CE 3.49Å; H177-M226 VanDerWaalsContact CB-CE 3.49Å; H177-M226 HydrophobicContact CB-SD 3.49Å; H177-M226 WeakPolarHBondContact CB-SD 3.32Å; Y179-M226 HydrophobicContact CD1-CE 3.62Å; Y179-M226 HydrophobicContact CE1-CE 3.62Å; L192-M226 HydrophobicContact CD2-SD 4.09Å; L223-M226 HydrophobicContact CD2-CE 4.3Å; L223-M226 HydrophobicContact CD2-SD 4.36Å; L223-M226 WeakPolarHBondContact O-CB 3.42Å; L223-M226 PolarHBondContact O-N 3.14Å; A224-M226 VanDerWaalsContact C-N 3.28Å; A224-M226 PolarHBondContact O-N 2.7Å
227I95.4Very high93.1Very high15 Ų1556.6 Ų56.68%0.07727%0.271CS..Hα-helixtrans-87.2-32.6-176-61.9166.1000111.8I161 I162 L192 L196 L200 L223 P229 F234I161-I227 HydrophobicContact CD1-CD1 4.12Å; I162-I227 HydrophobicContact CG2-CD1 3.88Å; L192-I227 HydrophobicContact CD2-CD1 4.28Å; L192-I227 HydrophobicContact CD2-CG1 3.85Å; L196-I227 HydrophobicContact CD2-CD1 4.4Å; L196-I227 HydrophobicContact CD2-CG1 4.3Å; L196-I227 HydrophobicContact CD2-CG2 4.02Å; L200-I227 HydrophobicContact CD1-CG2 3.46Å; L200-I227 VanDerWaalsContact CD1-CG2 3.46Å; L223-I227 HydrophobicContact CB-CD1 4.47Å; L223-I227 WeakPolarHBondContact O-CB 3.38Å; L223-I227 WeakPolarHBondContact O-CG1 3.5Å; L223-I227 PolarHBondContact O-N 2.82Å; I227-P229 VanDerWaalsContact C-CD 3.48Å; I227-F234 HydrophobicContact CG2-CE2 4.16Å
228D95.6Very high93.1Very high6 Ų653.2 Ų53.23%0.03226%0.259CS..  trans-132.959.4-178.7-171.818.9000111.6A224 K230 R231 R232 Y233 F234 S235A224-D228 CarbonylContact O-C 3.6Å; A224-D228 WeakPolarHBondContact O-CA 3.11Å; A224-D228 PolarHBondContact O-N 3.28Å; D228-K230 PolarHBondContact O-N 3Å; D228-K230 VanDerWaalsContact O-N 3.12Å; D228-R231 VanDerWaalsContact CG-CA 3.44Å; D228-R231 PolarHBondContact O-N 3.13Å; D228-R231 VanDerWaalsContact OD1-CA 3.3Å; D228-R231 WeakPolarHBondContact OD1-CA 3.43Å; D228-R231 PolarHBondContact OD1-N 3.19Å; D228-R231 VanDerWaalsContact OD2-CA 3.26Å; D228-R231 WeakPolarHBondContact OD2-CA 3.49Å; D228-R232 PolarHBondContact OD1-N 2.98Å; D228-R232 PolarHBondContact OD2-N 3.3Å; D228-Y233 HydrophobicContact CB-CD2 3.86Å; D228-Y233 HydrophobicContact CB-CG 4.46Å; D228-Y233 VanDerWaalsContact CG-N 3.33Å; D228-Y233 PolarHBondContact OD1-N 2.76Å; D228-Y233 WeakPolarHBondContact OD2-CA 3.41Å; D228-Y233 PolarHBondContact OD2-N 2.9Å; D228-F234 HydrophobicContact CB-CD2 3.95Å; D228-F234 PolarHBondContact OD2-N 3.37Å; D228-S235 PolarHBondContact OD2-N 3.17Å
229P94Very high93Very high99 Ų9950.4 Ų50.464%0.64324%0.242SC*.THydrogen-bonded Turntrans-59.3-27.4-178.223.5-34.2000113S225 I227S225-P229 WeakPolarHBondContact O-CA 3.4Å; S225-P229 WeakPolarHBondContact O-CB 3.37Å; I227-P229 VanDerWaalsContact C-CD 3.48Å
230K93.5Very high92.8Very high164 Ų16450.3 Ų50.371%0.71324%0.242SC*.THydrogen-bonded Turntrans-90.21177.5-66176.8-177.5170.70113.5D228 R232D228-K230 PolarHBondContact O-N 3Å; D228-K230 VanDerWaalsContact O-N 3.12Å; K230-R232 HydrophobicContact CB-CG 3.77Å; K230-R232 PolarHBondContact O-N 2.63Å
231R92.2Very high92.5Very high157 Ų15753.7 Ų53.759%0.59225%0.254SS*.SBendtrans56.126.6179.5-67.9-167.3-175.6-165.65115.5D228 S235D228-R231 VanDerWaalsContact CG-CA 3.44Å; D228-R231 PolarHBondContact O-N 3.13Å; D228-R231 VanDerWaalsContact OD1-CA 3.3Å; D228-R231 WeakPolarHBondContact OD1-CA 3.43Å; D228-R231 PolarHBondContact OD1-N 3.19Å; D228-R231 VanDerWaalsContact OD2-CA 3.26Å; D228-R231 WeakPolarHBondContact OD2-CA 3.49Å; R231-S235 WeakPolarHBondContact O-CA 3.24Å; R231-S235 WeakPolarHBondContact O-CB 3.42Å; R231-S235 PolarHBondContact O-OG 3.31Å
232R93.5Very high92.1Very high112 Ų11254.9 Ų54.942%0.42326%0.263SS..SBendtrans-77.1-37.7-178-57-171.8-61.8144.9-4.2113D201 D228 K230D201-R232 VanDerWaalsContact CG-NH2 3.29Å; D201-R232 IonicContact OD1-CZ 2.64Å; D201-R232 VanDerWaalsContact OD1-CZ 3.25Å; D201-R232 IonicContact OD1-NH1 2.7Å; D201-R232 PolarHBondContact OD1-NH1 3.04Å; D201-R232 IonicContact OD1-NH2 2.92Å; D201-R232 PolarHBondContact OD1-NH2 3.44Å; D201-R232 VanDerWaalsContact OD1-NH2 3.16Å; D201-R232 IonicContact OD2-CZ 2.68Å; D201-R232 IonicContact OD2-NH1 2.61Å; D201-R232 PolarHBondContact OD2-NH1 3.12Å; D201-R232 IonicContact OD2-NH2 3.2Å; D201-R232 PolarHBondContact OD2-NH2 2.85Å; D228-R232 PolarHBondContact OD1-N 2.98Å; D228-R232 PolarHBondContact OD2-N 3.3Å; K230-R232 HydrophobicContact CB-CG 3.77Å; K230-R232 PolarHBondContact O-N 2.63Å
233Y94.5Very high91.5Very high6 Ų653 Ų532%0.02425%0.254CS..SBendtrans-89.4-51.1-169.4-54.4-37000112.2L200 D201 M209 D228 R237L200-Y233 HydrophobicContact CB-CD1 4.11Å; L200-Y233 HydrophobicContact CB-CD2 3.8Å; L200-Y233 HydrophobicContact CB-CE1 3.97Å; L200-Y233 HydrophobicContact CB-CE2 3.63Å; L200-Y233 HydrophobicContact CB-CG 4.02Å; L200-Y233 HydrophobicContact CD1-CD2 3.71Å; L200-Y233 HydrophobicContact CD1-CE2 3.85Å; L200-Y233 HydrophobicContact CD1-CG 4.47Å; L200-Y233 HydrophobicContact CG-CD2 4.32Å; L200-Y233 HydrophobicContact CG-CE2 4.4Å; D201-Y233 HydrophobicContact CB-CE1 4.4Å; D201-Y233 VanDerWaalsContact CG-OH 3.31Å; D201-Y233 PolarHBondContact OD2-OH 2.82Å; M209-Y233 HydrophobicContact CE-CD1 4.1Å; M209-Y233 HydrophobicContact CE-CG 4.17Å; D228-Y233 HydrophobicContact CB-CD2 3.86Å; D228-Y233 HydrophobicContact CB-CG 4.46Å; D228-Y233 VanDerWaalsContact CG-N 3.33Å; D228-Y233 PolarHBondContact OD1-N 2.76Å; D228-Y233 WeakPolarHBondContact OD2-CA 3.41Å; D228-Y233 PolarHBondContact OD2-N 2.9Å; Y233-R237 PolarHBondContact O-NH2 2.87Å
234F93.5Very high90.7Very high2 Ų253.8 Ų53.81%0.00926%0.26CS..SBendtrans-114.6-30.4-172.3-53.8-71000112.4V155 L200 M209 I211 I227 D228 Q236 R237V155-F234 HydrophobicContact CB-CE1 4.3Å; V155-F234 HydrophobicContact CG2-CE1 4.24Å; L200-F234 HydrophobicContact CD1-CE2 4.21Å; L200-F234 HydrophobicContact CD1-CZ 4.4Å; L200-F234 HydrophobicContact CD2-CE2 4.43Å; L200-F234 HydrophobicContact CD2-CZ 3.88Å; M209-F234 HydrophobicContact CB-CD1 3.87Å; M209-F234 HydrophobicContact CB-CE1 3.71Å; I211-F234 HydrophobicContact CD1-CB 4.29Å; I211-F234 HydrophobicContact CD1-CD1 4.21Å; I211-F234 HydrophobicContact CD1-CD2 3.82Å; I211-F234 HydrophobicContact CD1-CE1 4.49Å; I211-F234 HydrophobicContact CD1-CE2 4.15Å; I211-F234 HydrophobicContact CD1-CG 3.85Å; I211-F234 HydrophobicContact CD1-CZ 4.47Å; I211-F234 HydrophobicContact CG1-CB 4.45Å; I211-F234 HydrophobicContact CG1-CD1 3.65Å; I211-F234 HydrophobicContact CG1-CD2 4.15Å; I211-F234 HydrophobicContact CG1-CE1 3.79Å; I211-F234 HydrophobicContact CG1-CE2 4.3Å; I211-F234 HydrophobicContact CG1-CG 3.83Å; I211-F234 HydrophobicContact CG1-CZ 4.12Å; I227-F234 HydrophobicContact CG2-CE2 4.16Å; D228-F234 HydrophobicContact CB-CD2 3.95Å; D228-F234 PolarHBondContact OD2-N 3.37Å; F234-Q236 PolarHBondContact O-N 3.08Å; F234-R237 VanDerWaalsContact C-NH2 3.25Å; F234-R237 VanDerWaalsContact O-CB 3.29Å; F234-R237 WeakPolarHBondContact O-CB 3.49Å; F234-R237 PolarHBondContact O-N 3.01Å; F234-R237 PolarHBondContact O-NE 2.83Å; F234-R237 PolarHBondContact O-NH2 2.91Å
235S88.9Confident89.9Confident42 Ų4258.9 Ų58.929%0.29428%0.28SS..THydrogen-bonded Turntrans59.6-80.5175.1-37.70000115.4D228 R231 R237D228-S235 PolarHBondContact OD2-N 3.17Å; R231-S235 WeakPolarHBondContact O-CA 3.24Å; R231-S235 WeakPolarHBondContact O-CB 3.42Å; R231-S235 PolarHBondContact O-OG 3.31Å; S235-R237 PolarHBondContact OG-NH1 2.89Å; S235-R237 PolarHBondContact OG-NH2 3.04Å
236Q85.1Confident89.2Confident128 Ų12858.6 Ų58.660%0.59827%0.273SS*.THydrogen-bonded Turntrans-1363.8172.3-57.9-168.931.200112.5F234 I238F234-Q236 PolarHBondContact O-N 3.08Å; Q236-I238 PolarHBondContact O-N 2.84Å
237R90.5Very high88.5Confident61 Ų6159.6 Ų59.623%0.2328%0.283CS..  trans-8066.8-176.7-62.3173.8-67-78.8-2.8110.1M209 H210 I211 Y233 F234 S235M209-R237 PolarHBondContact O-NE 3.17Å; H210-R237 CarbonylContact C-O 3.58Å; H210-R237 WeakPolarHBondContact CA-O 3.4Å; H210-R237 HydrophobicContact CB-CB 4.15Å; I211-R237 PolarHBondContact N-O 3.4Å; Y233-R237 PolarHBondContact O-NH2 2.87Å; F234-R237 VanDerWaalsContact C-NH2 3.25Å; F234-R237 VanDerWaalsContact O-CB 3.29Å; F234-R237 WeakPolarHBondContact O-CB 3.49Å; F234-R237 PolarHBondContact O-N 3.01Å; F234-R237 PolarHBondContact O-NE 2.83Å; F234-R237 PolarHBondContact O-NH2 2.91Å; S235-R237 PolarHBondContact OG-NH1 2.89Å; S235-R237 PolarHBondContact OG-NH2 3.04Å
238I90.8Very high87.8Confident9 Ų962.4 Ų62.45%0.04630%0.301CS..EExtended strand (participates in β ladder)trans-122.1123.9-179.3-54178.7000108.2I211 A220 A224 Q236I211-I238 HydrophobicContact CB-CG1 4.34Å; I211-I238 HydrophobicContact CB-CG2 4.24Å; I211-I238 HydrophobicContact CD1-CG1 4.33Å; I211-I238 HydrophobicContact CG2-CG2 4.09Å; A220-I238 HydrophobicContact CB-CG2 3.91Å; A224-I238 HydrophobicContact CB-CD1 3.57Å; Q236-I238 PolarHBondContact O-N 2.84Å
239L90.4Very high87.4Confident6 Ų663.2 Ų63.23%0.03131%0.306CS..EExtended strand (participates in β ladder)trans-113.2122.2164.7-166.678.1000108.1H122 I211 C212 T213 E243 N253 L257H122-L239 HydrophobicContact CB-CD1 3.93Å; I211-L239 PolarHBondContact O-N 2.96Å; C212-L239 WeakPolarHBondContact CA-O 3.36Å; T213-L239 PolarHBondContact N-O 3.07Å; L239-E243 HydrophobicContact CD1-CB 3.76Å; L239-N253 HydrophobicContact CD2-CB 3.91Å; L239-L257 HydrophobicContact CD2-CD1 4.37Å
240S91.2Very high87.2Confident0 Ų058.6 Ų58.60%028%0.276CS..  trans-107177.4173.985.40000110.5T213 G215 R217 D242 E243 C244T213-S240 CarbonylContact O-C 3.59Å; T213-S240 WeakPolarHBondContact O-CA 3.38Å; G215-S240 WeakPolarHBondContact O-CB 3.37Å; R217-S240 WeakPolarHBondContact CA-OG 3.36Å; R217-S240 PolarHBondContact N-OG 3.38Å; S240-D242 PolarHBondContact O-N 2.96Å; S240-D242 PolarHBondContact OG-N 3.05Å; S240-D242 VanDerWaalsContact OG-N 3.16Å; S240-E243 WeakPolarHBondContact CA-OE2 3.45Å; S240-E243 VanDerWaalsContact CB-OE2 3.23Å; S240-E243 WeakPolarHBondContact CB-OE2 3.27Å; S240-E243 PolarHBondContact N-OE2 3.49Å; S240-E243 PolarHBondContact O-N 3.03Å; S240-E243 PolarHBondContact OG-OE2 2.81Å; S240-C244 PolarHBondContact O-N 2.75Å; S240-C244 PolarHBondContact O-SG 3.28Å
241R88.5Confident87Confident71 Ų7152 Ų5227%0.26825%0.25SC..THydrogen-bonded Turntrans-57.5-27.4172.7-174.5173.660.6-145.30.1113.2T213 F214 G215 E243 C244T213-R241 PolarHBondContact O-N 3.16Å; T213-R241 VanDerWaalsContact O-N 3.16Å; F214-R241 HydrophobicContact CD1-CB 4.4Å; F214-R241 HydrophobicContact CD1-CG 4.38Å; F214-R241 WeakPolarHBondContact O-CB 3.44Å; F214-R241 WeakPolarHBondContact O-CD 3.5Å; F214-R241 VanDerWaalsContact O-CZ 3.28Å; F214-R241 PolarHBondContact O-NE 3.16Å; F214-R241 PolarHBondContact O-NH1 2.78Å; G215-R241 WeakPolarHBondContact O-CB 3.31Å; G215-R241 PolarHBondContact O-N 3.43Å; R241-E243 VanDerWaalsContact C-N 3.28Å; R241-E243 PolarHBondContact O-N 3.23Å; R241-C244 PolarHBondContact O-N 3.25Å
242D84.4Confident86.6Confident96 Ų9646.6 Ų46.651%0.51324%0.239SC..THydrogen-bonded Turntrans-76.6-18.7-174.4-54.9-27.6000112.1N216 R217 S240N216-D242 WeakPolarHBondContact CA-OD2 3.22Å; N216-D242 WeakPolarHBondContact CB-OD2 3.41Å; R217-D242 HydrophobicContact CB-CB 4.49Å; R217-D242 WeakPolarHBondContact CB-OD2 3.36Å; R217-D242 PolarHBondContact N-OD2 3.03Å; S240-D242 PolarHBondContact O-N 2.96Å; S240-D242 PolarHBondContact OG-N 3.05Å; S240-D242 VanDerWaalsContact OG-N 3.16Å
243E81.2Confident86.2Confident24 Ų2441.3 Ų41.311%0.11222%0.219CC..THydrogen-bonded Turntrans-108.2-4.2173.6-51.885.3-167.700113.6P125 R217 L239 S240 R241P125-E243 HydrophobicContact CG-CG 4.33Å; R217-E243 VanDerWaalsContact CD-OE1 3.26Å; R217-E243 WeakPolarHBondContact CD-OE1 3.47Å; R217-E243 IonicContact CZ-OE1 3.18Å; R217-E243 IonicContact NE-OE1 3.33Å; R217-E243 IonicContact NH1-OE1 2.7Å; R217-E243 PolarHBondContact NH1-OE1 3.41Å; L239-E243 HydrophobicContact CD1-CB 3.76Å; S240-E243 WeakPolarHBondContact CA-OE2 3.45Å; S240-E243 VanDerWaalsContact CB-OE2 3.23Å; S240-E243 WeakPolarHBondContact CB-OE2 3.27Å; S240-E243 PolarHBondContact N-OE2 3.49Å; S240-E243 PolarHBondContact O-N 3.03Å; S240-E243 PolarHBondContact OG-OE2 2.81Å; R241-E243 VanDerWaalsContact C-N 3.28Å; R241-E243 PolarHBondContact O-N 3.23Å
244C79.1Confident85.8Confident16 Ų1641.9 Ų41.911%0.10822%0.222CC..  trans-72.8126.2178.3-77.10000111.8S240 R241 N246 N253S240-C244 PolarHBondContact O-N 2.75Å; S240-C244 PolarHBondContact O-SG 3.28Å; R241-C244 PolarHBondContact O-N 3.25Å; C244-N246 PolarHBondContact O-N 3.1Å; C244-N246 VanDerWaalsContact O-N 3.08Å; C244-N253 WeakPolarHBondContact CA-OD1 3.21Å; C244-N253 PolarHBondContact SG-ND2 2.73Å; C244-N253 VanDerWaalsContact SG-ND2 3.4Å
245F78Confident85.2Confident120 Ų12048.1 Ų48.153%0.52625%0.249SC..SBendtrans-62.3-19.6177.6-52.1-49.2000114.1P119 A252 N253 A256P119-F245 HydrophobicContact CG-CE1 3.94Å; P119-F245 HydrophobicContact CG-CZ 3.79Å; F245-A252 HydrophobicContact CB-CB 4.43Å; F245-N253 HydrophobicContact CD2-CB 4.42Å; F245-N253 WeakPolarHBondContact CD2-OD1 3.38Å; F245-N253 PolarHBondContact N-OD1 3.13Å; F245-A256 HydrophobicContact CE2-CB 3.58Å; F245-A256 HydrophobicContact CZ-CB 3.77Å
246N80Confident84.5Confident56 Ų5646.8 Ų46.830%0.29924%0.241SC..  trans-136.8126.9177.8-172.9-44.8000109.4C244 V248 T249 A252C244-N246 PolarHBondContact O-N 3.1Å; C244-N246 VanDerWaalsContact O-N 3.08Å; N246-V248 PolarHBondContact O-N 3.06Å; N246-V248 PolarHBondContact OD1-N 2.75Å; N246-T249 HydrophobicContact CB-CG2 4.09Å; N246-T249 WeakPolarHBondContact ND2-CG2 3.15Å; N246-T249 PolarHBondContact OD1-N 2.84Å; N246-A252 HydrophobicContact CB-CB 3.64Å
247P78.4Confident84.2Confident61 Ų6142 Ų4240%0.39622%0.219SC..SBendtrans-76.8-5.3-177.730.8-35.5000114.4F299P247-F299 HydrophobicContact CB-CE2 3.72Å; P247-F299 HydrophobicContact CB-CZ 3.72Å; P247-F299 WeakPolarHBondContact O-CD2 3.42Å; P247-F299 WeakPolarHBondContact O-CE2 3.42Å
248V79.7Confident84Confident75 Ų7540.6 Ų40.646%0.45522%0.215SC..SBendtrans-112.8-33.5-176.2-175.20000112.7N246N246-V248 PolarHBondContact O-N 3.06Å; N246-V248 PolarHBondContact OD1-N 2.75Å
249T87Confident83.5Confident22 Ų2241.3 Ų41.314%0.13522%0.22CC..  trans-124.6125.8177.2166.40000111.9N246 S251 V274 D276N246-T249 HydrophobicContact CB-CG2 4.09Å; N246-T249 WeakPolarHBondContact ND2-CG2 3.15Å; N246-T249 PolarHBondContact OD1-N 2.84Å; T249-S251 VanDerWaalsContact C-N 3.27Å; T249-S251 VanDerWaalsContact OG1-CB 3.23Å; T249-S251 WeakPolarHBondContact OG1-CB 3.34Å; T249-S251 PolarHBondContact OG1-N 3.05Å; T249-S251 VanDerWaalsContact OG1-N 3.11Å; T249-S251 PolarHBondContact OG1-OG 2.97Å; T249-V274 CarbonylContact C-O 3.54Å; T249-V274 WeakPolarHBondContact CA-O 3.27Å; T249-V274 PolarHBondContact OG1-O 3.46Å; T249-D276 PolarHBondContact OG1-OD2 3.28Å
250K91.1Very high83.2Confident3 Ų346 Ų461%0.01324%0.237CC..G310 helixtrans-70.9-23.8172.6-59.5179.2-178.6-179.80111.5D156 C212 F214 A252 N253 D269 V274 W275D156-K250 IonicContact OD1-NZ 2.63Å; D156-K250 PolarHBondContact OD1-NZ 2.87Å; C212-K250 WeakPolarHBondContact O-CE 3.2Å; C212-K250 PolarHBondContact O-NZ 3.2Å; F214-K250 HydrophobicContact CD2-CG 4.5Å; F214-K250 HydrophobicContact CE1-CG 3.9Å; F214-K250 HydrophobicContact CE2-CG 3.92Å; F214-K250 HydrophobicContact CZ-CG 3.58Å; K250-A252 PolarHBondContact O-N 3.11Å; K250-A252 VanDerWaalsContact O-N 3.16Å; K250-N253 PolarHBondContact O-N 3.13Å; K250-N253 VanDerWaalsContact O-N 3.15Å; K250-N253 PolarHBondContact O-ND2 3.47Å; K250-D269 IonicContact NZ-OD2 3.27Å; K250-D269 PolarHBondContact NZ-OD2 2.86Å; K250-V274 HydrophobicContact CD-CG2 4Å; K250-V274 HydrophobicContact CG-CB 4.38Å; K250-V274 HydrophobicContact CG-CG2 4.36Å; K250-V274 PolarHBondContact N-O 2.87Å; K250-W275 HydrophobicContact CB-CD2 3.93Å; K250-W275 HydrophobicContact CB-CE3 3.8Å; K250-W275 HydrophobicContact CB-CH2 3.57Å; K250-W275 HydrophobicContact CB-CZ2 3.67Å; K250-W275 HydrophobicContact CB-CZ3 3.61Å; K250-W275 HydrophobicContact CD-CD2 4.49Å; K250-W275 HydrophobicContact CD-CH2 4.24Å; K250-W275 HydrophobicContact CD-CZ2 3.53Å; K250-W275 HydrophobicContact CG-CZ2 4.25Å
251S89.1Confident83Confident25 Ų2547.7 Ų47.718%0.17526%0.255CS..G310 helixtrans-55.9-32.1178.4-49.30000113.5T249 N253 L254 W275 D276T249-S251 VanDerWaalsContact C-N 3.27Å; T249-S251 VanDerWaalsContact OG1-CB 3.23Å; T249-S251 WeakPolarHBondContact OG1-CB 3.34Å; T249-S251 PolarHBondContact OG1-N 3.05Å; T249-S251 VanDerWaalsContact OG1-N 3.11Å; T249-S251 PolarHBondContact OG1-OG 2.97Å; S251-N253 PolarHBondContact O-N 2.84Å; S251-N253 VanDerWaalsContact O-N 3.1Å; S251-L254 WeakPolarHBondContact O-CB 3.49Å; S251-L254 WeakPolarHBondContact O-CG 2.96Å; S251-L254 PolarHBondContact O-N 3.32Å; S251-W275 WeakPolarHBondContact OG-CA 3.46Å; S251-W275 PolarHBondContact OG-O 3.5Å; S251-D276 WeakPolarHBondContact CB-OD2 3.38Å; S251-D276 PolarHBondContact OG-N 2.77Å; S251-D276 PolarHBondContact OG-OD2 3.24Å
252A84.1Confident83.2Confident43 Ų4345.9 Ų45.936%0.35525%0.251SS..G310 helixtrans-55.2-30.5-179.400000112.5F245 N246 K250F245-A252 HydrophobicContact CB-CB 4.43Å; N246-A252 HydrophobicContact CB-CB 3.64Å; K250-A252 PolarHBondContact O-N 3.11Å; K250-A252 VanDerWaalsContact O-N 3.16Å
253N84.4Confident83.7Confident2 Ų242.9 Ų42.91%0.01123%0.234CC..G310 helixtrans-76.7-26.1-178.6-51.2-57.7000112.7L239 C244 F245 K250 S251 K255 A256 L257L239-N253 HydrophobicContact CD2-CB 3.91Å; C244-N253 WeakPolarHBondContact CA-OD1 3.21Å; C244-N253 PolarHBondContact SG-ND2 2.73Å; C244-N253 VanDerWaalsContact SG-ND2 3.4Å; F245-N253 HydrophobicContact CD2-CB 4.42Å; F245-N253 WeakPolarHBondContact CD2-OD1 3.38Å; F245-N253 PolarHBondContact N-OD1 3.13Å; K250-N253 PolarHBondContact O-N 3.13Å; K250-N253 VanDerWaalsContact O-N 3.15Å; K250-N253 PolarHBondContact O-ND2 3.47Å; S251-N253 PolarHBondContact O-N 2.84Å; S251-N253 VanDerWaalsContact O-N 3.1Å; N253-K255 VanDerWaalsContact C-N 3.29Å; N253-K255 PolarHBondContact O-N 2.87Å; N253-K255 VanDerWaalsContact O-N 3.09Å; N253-A256 PolarHBondContact O-N 2.98Å; N253-L257 HydrophobicContact CB-CD1 4.36Å; N253-L257 HydrophobicContact CB-CD2 4.06Å; N253-L257 HydrophobicContact CB-CG 4.11Å; N253-L257 WeakPolarHBondContact O-CG 3.38Å; N253-L257 PolarHBondContact O-N 2.97Å
254L86.1Confident84.4Confident17 Ų1742.2 Ų42.29%0.08923%0.231CC..Hα-helixtrans-55.4-35-166.7-71.1172.1000114.6L154 S251 A256 F258 L262 I267 W275L154-L254 HydrophobicContact CD1-CD2 3.92Å; S251-L254 WeakPolarHBondContact O-CB 3.49Å; S251-L254 WeakPolarHBondContact O-CG 2.96Å; S251-L254 PolarHBondContact O-N 3.32Å; L254-A256 VanDerWaalsContact C-N 3.34Å; L254-F258 HydrophobicContact CD2-CD2 4.44Å; L254-F258 PolarHBondContact O-N 3.07Å; L254-L262 HydrophobicContact CB-CD2 4.28Å; L254-L262 HydrophobicContact CD1-CD1 4Å; L254-L262 HydrophobicContact CD2-CD2 4.04Å; L254-I267 HydrophobicContact CD2-CD1 4.42Å; L254-W275 HydrophobicContact CD1-CE3 4.11Å; L254-W275 HydrophobicContact CD1-CZ3 4.06Å; L254-W275 HydrophobicContact CD2-CH2 4.49Å; L254-W275 HydrophobicContact CD2-CZ3 3.75Å; L254-W275 HydrophobicContact CG-CE3 4.44Å; L254-W275 HydrophobicContact CG-CZ3 3.9Å
255K80.8Confident85.3Confident133 Ų13341.5 Ų41.558%0.57823%0.227SC*.Hα-helixtrans-71.4-26.6177.5-157.7-134.3167.2-164.10113E131 N253 P259E131-K255 IonicContact OE1-NZ 2.68Å; E131-K255 PolarHBondContact OE1-NZ 2.99Å; N253-K255 VanDerWaalsContact C-N 3.29Å; N253-K255 PolarHBondContact O-N 2.87Å; N253-K255 VanDerWaalsContact O-N 3.09Å; K255-P259 WeakPolarHBondContact O-CA 3.28Å
256A75.3Confident86.2Confident14 Ų1435.8 Ų35.812%0.11620%0.202CC..Hα-helixtrans-84.2-37.6174.700000111.5I118 F245 N253 L254I118-A256 HydrophobicContact CG2-CB 4.48Å; F245-A256 HydrophobicContact CE2-CB 3.58Å; F245-A256 HydrophobicContact CZ-CB 3.77Å; N253-A256 PolarHBondContact O-N 2.98Å; L254-A256 VanDerWaalsContact C-N 3.34Å
257L78.7Confident87.1Confident27 Ų2733.1 Ų33.114%0.14119%0.188CC..Hα-helixtrans-69.2-36179-43.8-163.4000111.5L239 N253L239-L257 HydrophobicContact CD2-CD1 4.37Å; N253-L257 HydrophobicContact CB-CD1 4.36Å; N253-L257 HydrophobicContact CB-CD2 4.06Å; N253-L257 HydrophobicContact CB-CG 4.11Å; N253-L257 WeakPolarHBondContact O-CG 3.38Å; N253-L257 PolarHBondContact O-N 2.97Å
258F86.2Confident88.1Confident32 Ų3230.6 Ų30.614%0.1417%0.17CC..  trans-138.973.6-175.1-51.4-70.2000111V152 L154 L254 R260 G261 L262 V265V152-F258 HydrophobicContact CG1-CE1 4.06Å; V152-F258 HydrophobicContact CG1-CZ 3.79Å; V152-F258 HydrophobicContact CG2-CE1 4.24Å; L154-F258 HydrophobicContact CD1-CE2 4.23Å; L154-F258 HydrophobicContact CD2-CE2 4.09Å; L154-F258 HydrophobicContact CD2-CZ 4.02Å; L254-F258 HydrophobicContact CD2-CD2 4.44Å; L254-F258 PolarHBondContact O-N 3.07Å; F258-R260 PolarHBondContact O-N 2.85Å; F258-G261 PolarHBondContact O-N 3.03Å; F258-L262 HydrophobicContact CB-CD2 4Å; F258-L262 HydrophobicContact CD2-CD2 3.79Å; F258-L262 HydrophobicContact CG-CD2 4.22Å; F258-V265 HydrophobicContact CD1-CG2 3.92Å; F258-V265 HydrophobicContact CD2-CG1 4.43Å; F258-V265 HydrophobicContact CD2-CG2 3.76Å; F258-V265 HydrophobicContact CE1-CG2 4.05Å; F258-V265 HydrophobicContact CE2-CG1 4.02Å; F258-V265 HydrophobicContact CE2-CG2 3.9Å; F258-V265 HydrophobicContact CG-CG2 3.79Å; F258-V265 HydrophobicContact CZ-CG1 4.44Å; F258-V265 HydrophobicContact CZ-CG2 4.06Å
259P80.4Confident88.9Confident25 Ų2527.1 Ų27.116%0.16215%0.149CC..THydrogen-bonded Turntrans-60.9-31.9-175.223.5-33.3000113A134 A138 K255 G261A134-P259 HydrophobicContact CB-CG 4.39Å; A138-P259 HydrophobicContact CB-CG 3.56Å; K255-P259 WeakPolarHBondContact O-CA 3.28Å; P259-G261 PolarHBondContact O-N 3.34Å
260R84Confident89.3Confident104 Ų10426.5 Ų26.539%0.39215%0.145SC..THydrogen-bonded Turntrans-76.21.3174.4-55.9-168.476.181.59115D135 A138 L139 F258D135-R260 PolarHBondContact O-NH1 2.93Å; A138-R260 VanDerWaalsContact C-CD 3.46Å; A138-R260 HydrophobicContact CB-CG 3.85Å; A138-R260 WeakPolarHBondContact O-CD 3.5Å; L139-R260 VanDerWaalsContact CA-CD 3.49Å; L139-R260 VanDerWaalsContact N-CD 3.33Å; F258-R260 PolarHBondContact O-N 2.85Å
261G87.2Confident89.3Confident36 Ų3628.3 Ų28.337%0.37115%0.152SC..  trans96.1175.2175.100000115.2F258 P259 N263F258-G261 PolarHBondContact O-N 3.03Å; P259-G261 PolarHBondContact O-N 3.34Å; G261-N263 VanDerWaalsContact C-N 3.33Å; G261-N263 PolarHBondContact O-N 2.78Å
262L92.4Very high89.3Confident33 Ų3327.1 Ų27.117%0.17314%0.144CC..SBendtrans-9424.5-162.9-55.1178000114.1L254 F258 L264 V265 N280L254-L262 HydrophobicContact CB-CD2 4.28Å; L254-L262 HydrophobicContact CD1-CD1 4Å; L254-L262 HydrophobicContact CD2-CD2 4.04Å; F258-L262 HydrophobicContact CB-CD2 4Å; F258-L262 HydrophobicContact CD2-CD2 3.79Å; F258-L262 HydrophobicContact CG-CD2 4.22Å; L262-L264 VanDerWaalsContact C-N 3.26Å; L262-L264 PolarHBondContact O-N 3.3Å; L262-V265 HydrophobicContact CB-CB 4.31Å; L262-V265 HydrophobicContact CB-CG2 4.46Å; L262-V265 HydrophobicContact CD2-CB 4.3Å; L262-V265 HydrophobicContact CD2-CG2 4.06Å; L262-V265 PolarHBondContact O-N 3.18Å; L262-N280 PolarHBondContact O-ND2 3.13Å
263N94.5Very high89.6Confident32 Ų3228.1 Ų28.117%0.17114%0.141CC..THydrogen-bonded Turntrans-56.9-39.4-171.6-50.9-54.8000112.6G261 Y500 L563 H565 V566G261-N263 VanDerWaalsContact C-N 3.33Å; G261-N263 PolarHBondContact O-N 2.78Å; N263-Y500 WeakPolarHBondContact O-CE2 3.41Å; N263-L563 HydrophobicContact CB-CD2 3.86Å; N263-H565 PolarHBondContact OD1-CD2 2.81Å; N263-H565 VanDerWaalsContact OD1-CD2 3.27Å; N263-V566 WeakPolarHBondContact O-CG2 3.36Å; N263-V566 PolarHBondContact O-N 2.84Å
264L96.4Very high89.9Confident10 Ų1028 Ų285%0.05214%0.141CC..THydrogen-bonded Turntrans-100.3-1.5-177.2-62.4172.9000114.1Q142 L145 L146 L151 V152 L262 Y500 L563Q142-L264 HydrophobicContact CB-CD1 4.44Å; Q142-L264 HydrophobicContact CG-CD1 3.67Å; L145-L264 HydrophobicContact CB-CD1 4Å; L145-L264 HydrophobicContact CD1-CD1 4.07Å; L146-L264 HydrophobicContact CD2-CD2 3.77Å; L146-L264 HydrophobicContact CG-CD1 4.34Å; L146-L264 HydrophobicContact CG-CD2 4.3Å; L151-L264 HydrophobicContact CD2-CB 4.2Å; L151-L264 HydrophobicContact CD2-CD2 3.72Å; V152-L264 PolarHBondContact N-O 2.88Å; L262-L264 VanDerWaalsContact C-N 3.26Å; L262-L264 PolarHBondContact O-N 3.3Å; L264-Y500 HydrophobicContact CD2-CE1 3.74Å; L264-Y500 WeakPolarHBondContact CD2-OH 3.48Å; L264-L563 HydrophobicContact CD2-CD2 4.3Å; L264-L563 HydrophobicContact CG-CD2 4.39Å
265V97Very high90.2Very high2 Ų227.4 Ų27.41%0.01214%0.137CC..EExtended strand (participates in β ladder)trans-95.5124-165.6-174.60000111V152 L154 F258 L262 I267 N280V152-V265 HydrophobicContact CB-CG2 4.36Å; L154-V265 HydrophobicContact CD1-CG1 4.15Å; L154-V265 HydrophobicContact CG-CG1 4.02Å; F258-V265 HydrophobicContact CD1-CG2 3.92Å; F258-V265 HydrophobicContact CD2-CG1 4.43Å; F258-V265 HydrophobicContact CD2-CG2 3.76Å; F258-V265 HydrophobicContact CE1-CG2 4.05Å; F258-V265 HydrophobicContact CE2-CG1 4.02Å; F258-V265 HydrophobicContact CE2-CG2 3.9Å; F258-V265 HydrophobicContact CG-CG2 3.79Å; F258-V265 HydrophobicContact CZ-CG1 4.44Å; F258-V265 HydrophobicContact CZ-CG2 4.06Å; L262-V265 HydrophobicContact CB-CB 4.31Å; L262-V265 HydrophobicContact CB-CG2 4.46Å; L262-V265 HydrophobicContact CD2-CB 4.3Å; L262-V265 HydrophobicContact CD2-CG2 4.06Å; L262-V265 PolarHBondContact O-N 3.18Å; V265-I267 HydrophobicContact CG1-CG1 4.26Å; V265-N280 WeakPolarHBondContact O-CB 3.33Å; V265-N280 PolarHBondContact O-ND2 3.26Å
266C97.8Very high90.7Very high0 Ų026 Ų260%014%0.136CC..EExtended strand (participates in β ladder)trans-109.2149.1167.6-165.60000109.6V152 L153 L154 Y207 V566V152-C266 PolarHBondContact O-N 3.49Å; L153-C266 WeakPolarHBondContact CA-O 3.49Å; L153-C266 HydrophobicContact CD1-CB 3.98Å; L154-C266 PolarHBondContact N-O 2.8Å; Y207-C266 HydrophobicContact CE1-CB 4.04Å; C266-V566 HydrophobicContact CB-CG1 4.14Å
267I98.4Very high91.4Very high0 Ų028.8 Ų28.80%014%0.144CC..EExtended strand (participates in β ladder)trans-131.5130.6-177.6-50.4-178.9000108.7L154 L254 V265 W275 N280 L281 I282L154-I267 HydrophobicContact CB-CB 4.46Å; L154-I267 HydrophobicContact CB-CG1 4.24Å; L154-I267 HydrophobicContact CB-CG2 4.23Å; L154-I267 HydrophobicContact CD1-CD1 4.17Å; L154-I267 HydrophobicContact CD1-CG1 4.05Å; L154-I267 HydrophobicContact CG-CG1 4.29Å; L254-I267 HydrophobicContact CD2-CD1 4.42Å; V265-I267 HydrophobicContact CG1-CG1 4.26Å; I267-W275 HydrophobicContact CD1-CD2 4.1Å; I267-W275 HydrophobicContact CD1-CE3 3.89Å; I267-W275 HydrophobicContact CD1-CH2 4.45Å; I267-W275 HydrophobicContact CD1-CZ3 4.09Å; I267-W275 HydrophobicContact CG2-CD2 3.95Å; I267-W275 VanDerWaalsContact CG2-CE2 3.47Å; I267-W275 HydrophobicContact CG2-CG 4.25Å; I267-W275 HydrophobicContact CG2-CH2 4.48Å; I267-W275 HydrophobicContact CG2-CZ2 3.77Å; I267-N280 HydrophobicContact CD1-CB 4.4Å; I267-N280 HydrophobicContact CG1-CB 4.42Å; I267-N280 PolarHBondContact N-O 3.03Å; I267-N280 VanDerWaalsContact N-O 3.09Å; I267-L281 HydrophobicContact CB-CD1 4.17Å; I267-L281 HydrophobicContact CG2-CD1 3.79Å; I267-I282 PolarHBondContact O-N 2.74Å
268I98.4Very high92.1Very high7 Ų728.8 Ų28.84%0.03615%0.146CC..EExtended strand (participates in β ladder)trans-116.8124.5167.156.1173.7000110L153 L154 V155 D156 I282 V284 L489 L493L153-I268 HydrophobicContact CD1-CG1 4.15Å; L153-I268 HydrophobicContact CD1-CG2 4.19Å; L153-I268 HydrophobicContact CD2-CD1 4.24Å; L153-I268 HydrophobicContact CG-CG1 4.44Å; L154-I268 PolarHBondContact O-N 2.68Å; V155-I268 HydrophobicContact CB-CG1 4.37Å; V155-I268 HydrophobicContact CG1-CD1 4.15Å; V155-I268 HydrophobicContact CG1-CG1 4.35Å; V155-I268 HydrophobicContact CG2-CD1 4.08Å; V155-I268 HydrophobicContact CG2-CG1 4.13Å; D156-I268 PolarHBondContact N-O 2.99Å; I268-I282 HydrophobicContact CG2-CB 4.1Å; I268-I282 HydrophobicContact CG2-CD1 4.33Å; I268-V284 HydrophobicContact CB-CG1 4.03Å; I268-V284 HydrophobicContact CG2-CG1 4.15Å; I268-L489 HydrophobicContact CD1-CD2 4.18Å; I268-L489 HydrophobicContact CG2-CD1 4.2Å; I268-L489 HydrophobicContact CG2-CD2 4.26Å; I268-L493 HydrophobicContact CG2-CD2 4.48Å
269D97.7Very high92.5Very high2 Ų230.8 Ų30.81%0.01116%0.164CC..EExtended strand (participates in β ladder)trans-157.6141.8-176.8-158-62000108.4D156 K250 R271 W275 L281 H283 V284D156-D269 HydrophobicContact CB-CB 4.29Å; D156-D269 WeakPolarHBondContact CB-OD2 3.34Å; K250-D269 IonicContact NZ-OD2 3.27Å; K250-D269 PolarHBondContact NZ-OD2 2.86Å; D269-R271 PolarHBondContact O-N 3.23Å; D269-R271 PolarHBondContact OD1-N 3.1Å; D269-W275 VanDerWaalsContact CG-NE1 3.3Å; D269-W275 PolarHBondContact OD2-NE1 3.35Å; D269-L281 HydrophobicContact CB-CD1 3.75Å; D269-H283 WeakPolarHBondContact O-CA 3.47Å; D269-V284 PolarHBondContact O-N 3.07Å
270D94.8Very high93.3Very high9 Ų929.7 Ų29.75%0.04816%0.157CC..SBendtrans-78-10.5176.993.3-57.6000112.6Q159 T160 H283 V284 P286Q159-D270 HydrophobicContact CB-CB 4.46Å; Q159-D270 WeakPolarHBondContact CB-OD2 3.47Å; T160-D270 PolarHBondContact OG1-N 3.06Å; T160-D270 VanDerWaalsContact OG1-N 3.15Å; D270-H283 PolarHBondContact O-CD2 2.81Å; D270-H283 VanDerWaalsContact O-CD2 3.22Å; D270-H283 PolarHBondContact O-NE2 3.17Å; D270-V284 HydrophobicContact CB-CG2 3.96Å; D270-P286 HydrophobicContact CB-CB 4.2Å; D270-P286 HydrophobicContact CB-CG 4.03Å; D270-P286 VanDerWaalsContact OD2-CB 3.29Å; D270-P286 WeakPolarHBondContact OD2-CB 3.46Å; D270-P286 WeakPolarHBondContact OD2-CG 3.48Å
271R90.9Very high94Very high41 Ų4125.5 Ų25.516%0.15514%0.142CC..  trans-118.3122.4-177.1-73.4168.566.2-159.1-12.2111.5D269 E273 V274 D295D269-R271 PolarHBondContact O-N 3.23Å; D269-R271 PolarHBondContact OD1-N 3.1Å; R271-E273 WeakPolarHBondContact CB-OE2 3.27Å; R271-E273 IonicContact CZ-OE1 2.81Å; R271-E273 VanDerWaalsContact CZ-OE1 3.24Å; R271-E273 IonicContact NE-OE1 3.73Å; R271-E273 PolarHBondContact NE-OE1 2.92Å; R271-E273 IonicContact NH2-OE1 2.79Å; R271-E273 PolarHBondContact NH2-OE1 3.04Å; R271-V274 HydrophobicContact CB-CG1 4.13Å; R271-V274 HydrophobicContact CB-CG2 4.06Å; R271-V274 WeakPolarHBondContact O-CG2 3.5Å; R271-D295 IonicContact CZ-OD2 2.75Å; R271-D295 IonicContact NH1-OD2 2.82Å; R271-D295 PolarHBondContact NH1-OD2 3.3Å
272G90.9Very high94.5Very high1 Ų123.9 Ų23.91%0.0113%0.125CC..SBendtrans-84.8-28.2-176.600000114.3W275 W277G272-W275 PolarHBondContact O-N 3.02Å; G272-W277 WeakPolarHBondContact O-CA 3.31Å; G272-W277 PolarHBondContact O-N 3.01Å
273E88.7Confident94.6Very high63 Ų6323.2 Ų23.229%0.29412%0.121SC..G310 helixtrans-73.7-31.9-177.280.7-65.2168.100112.8R271 W275 D276R271-E273 WeakPolarHBondContact CB-OE2 3.27Å; R271-E273 IonicContact CZ-OE1 2.81Å; R271-E273 VanDerWaalsContact CZ-OE1 3.24Å; R271-E273 IonicContact NE-OE1 3.73Å; R271-E273 PolarHBondContact NE-OE1 2.92Å; R271-E273 IonicContact NH2-OE1 2.79Å; R271-E273 PolarHBondContact NH2-OE1 3.04Å; E273-W275 PolarHBondContact O-N 3.07Å; E273-D276 PolarHBondContact O-N 3.32Å
274V90.6Very high94.7Very high1 Ų121.7 Ų21.71%0.00611%0.113CC..G310 helixtrans-68.8-15.4177.6-51.90000113.2F214 T249 K250 R271F214-V274 HydrophobicContact CD2-CG1 4.31Å; F214-V274 HydrophobicContact CE2-CB 3.83Å; F214-V274 HydrophobicContact CE2-CG1 3.67Å; T249-V274 CarbonylContact C-O 3.54Å; T249-V274 WeakPolarHBondContact CA-O 3.27Å; T249-V274 PolarHBondContact OG1-O 3.46Å; K250-V274 HydrophobicContact CD-CG2 4Å; K250-V274 HydrophobicContact CG-CB 4.38Å; K250-V274 HydrophobicContact CG-CG2 4.36Å; K250-V274 PolarHBondContact N-O 2.87Å; R271-V274 HydrophobicContact CB-CG1 4.13Å; R271-V274 HydrophobicContact CB-CG2 4.06Å; R271-V274 WeakPolarHBondContact O-CG2 3.5Å
275W93.3Very high94.5Very high3 Ų323.6 Ų23.61%0.01112%0.121CC..G310 helixtrans-110.417.5173.4-68107.2000112.8L154 C212 K250 S251 L254 I267 D269 G272 E273 W277 S278 L281L154-W275 HydrophobicContact CD1-CH2 3.66Å; L154-W275 HydrophobicContact CD1-CZ2 4.36Å; L154-W275 HydrophobicContact CD1-CZ3 4.21Å; C212-W275 HydrophobicContact CB-CH2 4.42Å; C212-W275 HydrophobicContact CB-CZ2 4.28Å; K250-W275 HydrophobicContact CB-CD2 3.93Å; K250-W275 HydrophobicContact CB-CE3 3.8Å; K250-W275 HydrophobicContact CB-CH2 3.57Å; K250-W275 HydrophobicContact CB-CZ2 3.67Å; K250-W275 HydrophobicContact CB-CZ3 3.61Å; K250-W275 HydrophobicContact CD-CD2 4.49Å; K250-W275 HydrophobicContact CD-CH2 4.24Å; K250-W275 HydrophobicContact CD-CZ2 3.53Å; K250-W275 HydrophobicContact CG-CZ2 4.25Å; S251-W275 WeakPolarHBondContact OG-CA 3.46Å; S251-W275 PolarHBondContact OG-O 3.5Å; L254-W275 HydrophobicContact CD1-CE3 4.11Å; L254-W275 HydrophobicContact CD1-CZ3 4.06Å; L254-W275 HydrophobicContact CD2-CH2 4.49Å; L254-W275 HydrophobicContact CD2-CZ3 3.75Å; L254-W275 HydrophobicContact CG-CE3 4.44Å; L254-W275 HydrophobicContact CG-CZ3 3.9Å; I267-W275 HydrophobicContact CD1-CD2 4.1Å; I267-W275 HydrophobicContact CD1-CE3 3.89Å; I267-W275 HydrophobicContact CD1-CH2 4.45Å; I267-W275 HydrophobicContact CD1-CZ3 4.09Å; I267-W275 HydrophobicContact CG2-CD2 3.95Å; I267-W275 VanDerWaalsContact CG2-CE2 3.47Å; I267-W275 HydrophobicContact CG2-CG 4.25Å; I267-W275 HydrophobicContact CG2-CH2 4.48Å; I267-W275 HydrophobicContact CG2-CZ2 3.77Å; D269-W275 VanDerWaalsContact CG-NE1 3.3Å; D269-W275 PolarHBondContact OD2-NE1 3.35Å; G272-W275 PolarHBondContact O-N 3.02Å; E273-W275 PolarHBondContact O-N 3.07Å; W275-W277 PolarHBondContact O-N 3.17Å; W275-S278 VanDerWaalsContact O-CB 3.29Å; W275-S278 WeakPolarHBondContact O-CB 3.41Å; W275-S278 PolarHBondContact O-N 2.69Å; W275-L281 HydrophobicContact CB-CD2 4.28Å
276D91.3Very high94.3Very high105 Ų10524.7 Ų24.756%0.56113%0.128SC*.THydrogen-bonded Turntrans51.725.6-176.5-62.7-88000113.4T249 S251 E273T249-D276 PolarHBondContact OG1-OD2 3.28Å; S251-D276 WeakPolarHBondContact CB-OD2 3.38Å; S251-D276 PolarHBondContact OG-N 2.77Å; S251-D276 PolarHBondContact OG-OD2 3.24Å; E273-D276 PolarHBondContact O-N 3.32Å
277W90.4Very high94.1Very high72 Ų7224.8 Ų24.827%0.27313%0.128SC..THydrogen-bonded Turntrans53.943.7-169.1-60.487.8000114.5G272 W275 H283 L600 R603G272-W277 WeakPolarHBondContact O-CA 3.31Å; G272-W277 PolarHBondContact O-N 3.01Å; W275-W277 PolarHBondContact O-N 3.17Å; W277-H283 HydrophobicContact CZ3-CB 4.48Å; W277-L600 HydrophobicContact CE3-CD1 4.46Å; W277-L600 HydrophobicContact CH2-CD1 3.34Å; W277-L600 HydrophobicContact CH2-CD2 4.08Å; W277-L600 HydrophobicContact CH2-CG 4.36Å; W277-L600 HydrophobicContact CZ2-CD1 3.88Å; W277-L600 HydrophobicContact CZ2-CD2 4.48Å; W277-L600 HydrophobicContact CZ3-CD1 3.67Å; W277-R603 VanDerWaalsContact CD1-NH1 3.25Å
278S93.7Very high93.7Very high27 Ų2731.9 Ų31.919%0.18916%0.155CC..  trans-44.3140.3173.9176.30000113.2W275 N280 L281W275-S278 VanDerWaalsContact O-CB 3.29Å; W275-S278 WeakPolarHBondContact O-CB 3.41Å; W275-S278 PolarHBondContact O-N 2.69Å; S278-N280 PolarHBondContact O-N 2.9Å; S278-N280 VanDerWaalsContact O-N 3.11Å; S278-N280 PolarHBondContact OG-N 2.89Å; S278-L281 WeakPolarHBondContact O-CB 3.32Å; S278-L281 PolarHBondContact O-N 2.99Å; S278-L281 VanDerWaalsContact O-N 3.13Å
279S94.8Very high93.3Very high74 Ų7431.6 Ų31.652%0.51715%0.153SC..THydrogen-bonded Turntrans-65.1-13.7177.759.90000114.1S567S279-S567 VanDerWaalsContact C-CB 3.49Å; S279-S567 WeakPolarHBondContact O-CB 3.32Å; S279-S567 VanDerWaalsContact OG-CB 3.27Å; S279-S567 WeakPolarHBondContact OG-CB 3.45Å; S279-S567 PolarHBondContact OG-OG 3.42Å
280N97Very high92.9Very high2 Ų231.8 Ų31.81%0.01115%0.154CC..THydrogen-bonded Turntrans-94-2.8-179.9-64.559.5000112.6L262 V265 I267 S278 H565L262-N280 PolarHBondContact O-ND2 3.13Å; V265-N280 WeakPolarHBondContact O-CB 3.33Å; V265-N280 PolarHBondContact O-ND2 3.26Å; I267-N280 HydrophobicContact CD1-CB 4.4Å; I267-N280 HydrophobicContact CG1-CB 4.42Å; I267-N280 PolarHBondContact N-O 3.03Å; I267-N280 VanDerWaalsContact N-O 3.09Å; S278-N280 PolarHBondContact O-N 2.9Å; S278-N280 VanDerWaalsContact O-N 3.11Å; S278-N280 PolarHBondContact OG-N 2.89Å; N280-H565 PolarHBondContact OD1-CE1 3.29Å
281L97.2Very high92.2Very high16 Ų1635.1 Ų35.18%0.08418%0.176CC..EExtended strand (participates in β ladder)trans-83.7128.1-178.9177.666.5000112.6I267 D269 W275 S278 H283I267-L281 HydrophobicContact CB-CD1 4.17Å; I267-L281 HydrophobicContact CG2-CD1 3.79Å; D269-L281 HydrophobicContact CB-CD1 3.75Å; W275-L281 HydrophobicContact CB-CD2 4.28Å; S278-L281 WeakPolarHBondContact O-CB 3.32Å; S278-L281 PolarHBondContact O-N 2.99Å; S278-L281 VanDerWaalsContact O-N 3.13Å; L281-H283 HydrophobicContact CD2-CB 4.28Å; L281-H283 HydrophobicContact CG-CB 4.44Å
282I97.7Very high91.7Very high1 Ų140.9 Ų40.91%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-95.499.4157.3-50.4177.2000107I267 I268 V284 L489 I492 L493 I496 I570 W715I267-I282 PolarHBondContact O-N 2.74Å; I268-I282 HydrophobicContact CG2-CB 4.1Å; I268-I282 HydrophobicContact CG2-CD1 4.33Å; I282-V284 WeakPolarHBondContact O-CG1 3.41Å; I282-V284 PolarHBondContact O-N 3.27Å; I282-L489 HydrophobicContact CG2-CD1 4.03Å; I282-I492 HydrophobicContact CD1-CG2 4.32Å; I282-L493 HydrophobicContact CD1-CD2 3.65Å; I282-L493 HydrophobicContact CD1-CG 4.35Å; I282-I496 HydrophobicContact CD1-CD1 3.44Å; I282-I496 VanDerWaalsContact CD1-CD1 3.44Å; I282-I496 HydrophobicContact CG1-CD1 4.32Å; I282-I570 HydrophobicContact CG1-CD1 4.3Å; I282-W715 HydrophobicContact CD1-CZ2 4.42Å; I282-W715 HydrophobicContact CG1-CZ2 4.1Å; I282-W715 HydrophobicContact CG2-CZ2 4.08Å
283H95.6Very high91.5Very high20 Ų2043.4 Ų43.49%0.09322%0.223CC..EExtended strand (participates in β ladder)trans-69.7106.6175.1169.6-127000109.1D269 D270 W277 L281 H712D269-H283 WeakPolarHBondContact O-CA 3.47Å; D270-H283 PolarHBondContact O-CD2 2.81Å; D270-H283 VanDerWaalsContact O-CD2 3.22Å; D270-H283 PolarHBondContact O-NE2 3.17Å; W277-H283 HydrophobicContact CZ3-CB 4.48Å; L281-H283 HydrophobicContact CD2-CB 4.28Å; L281-H283 HydrophobicContact CG-CB 4.44Å; H283-H712 AromaticContact CG-NE2 3.66Å; H283-H712 AromaticContact ND1-CD2 3.83Å; H283-H712 AromaticContact ND1-CE1 3.68Å; H283-H712 AromaticContact ND1-NE2 2.99Å; H283-H712 PolarHBondContact ND1-NE2 3.14Å; H283-H712 PolarHBondContact O-NE2 3.27Å
284V95.6Very high91.3Very high0 Ų042.3 Ų42.30%023%0.228CC..PPolyproline II helixtrans-86164.8-173.7-55.40000112.4T160 I268 D269 D270 I282 P286 Y485 L489 Y713T160-V284 HydrophobicContact CG2-CG2 4.13Å; I268-V284 HydrophobicContact CB-CG1 4.03Å; I268-V284 HydrophobicContact CG2-CG1 4.15Å; D269-V284 PolarHBondContact O-N 3.07Å; D270-V284 HydrophobicContact CB-CG2 3.96Å; I282-V284 WeakPolarHBondContact O-CG1 3.41Å; I282-V284 PolarHBondContact O-N 3.27Å; V284-P286 WeakPolarHBondContact O-CD 3.13Å; V284-Y485 HydrophobicContact CB-CE1 4.13Å; V284-L489 HydrophobicContact CG1-CD1 4.04Å; V284-L489 HydrophobicContact CG1-CD2 3.76Å; V284-Y713 VanDerWaalsContact C-CD1 3.5Å; V284-Y713 VanDerWaalsContact C-CE1 3.4Å; V284-Y713 WeakPolarHBondContact O-CE1 3.27Å
285K93.3Very high91.2Very high50 Ų5043.8 Ų43.822%0.21724%0.236CC..PPolyproline II helixtrans-66.9123.8171.1177.7-177168.2-1610109.5R193 Y287 A481 D482 Y485 Y713R193-K285 VanDerWaalsContact CZ-O 3.28Å; R193-K285 PolarHBondContact NH1-O 3.46Å; R193-K285 PolarHBondContact NH2-O 3.11Å; K285-Y287 PolarHBondContact O-N 3.47Å; K285-A481 PolarHBondContact NZ-O 2.8Å; K285-D482 VanDerWaalsContact CD-OD1 3.28Å; K285-D482 WeakPolarHBondContact CD-OD1 3.47Å; K285-D482 WeakPolarHBondContact CE-OD1 3.26Å; K285-D482 IonicContact NZ-OD1 3.21Å; K285-D482 PolarHBondContact NZ-OD1 3.12Å; K285-Y485 HydrophobicContact CB-CD1 4.41Å; K285-Y485 HydrophobicContact CB-CD2 4.29Å; K285-Y485 HydrophobicContact CB-CE1 3.97Å; K285-Y485 HydrophobicContact CB-CE2 3.89Å; K285-Y485 HydrophobicContact CD-CD2 4.16Å; K285-Y485 HydrophobicContact CD-CE2 4.48Å; K285-Y485 HydrophobicContact CD-CG 4.42Å; K285-Y485 PolarHBondContact N-OH 3.12Å; K285-Y713 HydrophobicContact CB-CD1 4Å; K285-Y713 HydrophobicContact CB-CD2 3.84Å; K285-Y713 HydrophobicContact CB-CE1 4.29Å; K285-Y713 HydrophobicContact CB-CE2 4.1Å; K285-Y713 HydrophobicContact CB-CG 3.8Å; K285-Y713 HydrophobicContact CG-CD2 4.16Å; K285-Y713 HydrophobicContact CG-CE2 4.23Å; K285-Y713 VanDerWaalsContact N-CD1 3.3Å
286P92.3Very high91.1Very high24 Ų2446.3 Ų46.316%0.15625%0.249CC..PPolyproline II helixtrans-58.6121.6174.3-26.535000112.3Q159 D270 V284 R288Q159-P286 HydrophobicContact CB-CB 4.27Å; Q159-P286 CarbonylContact O-C 3.58Å; Q159-P286 WeakPolarHBondContact O-CA 3.24Å; D270-P286 HydrophobicContact CB-CB 4.2Å; D270-P286 HydrophobicContact CB-CG 4.03Å; D270-P286 VanDerWaalsContact OD2-CB 3.29Å; D270-P286 WeakPolarHBondContact OD2-CB 3.46Å; D270-P286 WeakPolarHBondContact OD2-CG 3.48Å; V284-P286 WeakPolarHBondContact O-CD 3.13Å; P286-R288 PolarHBondContact O-N 2.97Å
287Y93.5Very high91Very high3 Ų342.3 Ų42.31%0.01223%0.228CC..  trans-76.9115176-176.7-133.4000110.3Q159 H163 R191 R193 K285 F289 D482Q159-Y287 WeakPolarHBondContact CG-O 3.4Å; Q159-Y287 PolarHBondContact O-N 2.81Å; H163-Y287 HydrophobicContact CB-CD1 3.79Å; H163-Y287 HydrophobicContact CB-CE1 4.05Å; R191-Y287 HydrophobicContact CG-CE1 4.25Å; R191-Y287 WeakPolarHBondContact CG-OH 3.45Å; R193-Y287 HydrophobicContact CB-CD1 3.77Å; R193-Y287 HydrophobicContact CB-CD2 4.49Å; R193-Y287 HydrophobicContact CB-CE1 3.82Å; R193-Y287 HydrophobicContact CB-CG 4.13Å; R193-Y287 HydrophobicContact CG-CD1 3.97Å; R193-Y287 HydrophobicContact CG-CD2 3.85Å; R193-Y287 HydrophobicContact CG-CE1 4.22Å; R193-Y287 HydrophobicContact CG-CE2 4.09Å; R193-Y287 HydrophobicContact CG-CG 3.79Å; K285-Y287 PolarHBondContact O-N 3.47Å; Y287-F289 HydrophobicContact CE1-CB 4.23Å; Y287-F289 HydrophobicContact CE2-CB 4.32Å; Y287-D482 HydrophobicContact CD2-CB 4.3Å; Y287-D482 WeakPolarHBondContact CD2-OD2 3.46Å; Y287-D482 HydrophobicContact CE2-CB 4.35Å
288R89.6Confident90.5Very high148 Ų14839.9 Ų39.956%0.55822%0.223SC*.  trans-129.473.5-175.5-66.4-175.1-177.9147.410110.8P286P286-R288 PolarHBondContact O-N 2.97Å
289F90.1Very high89.2Confident2 Ų242 Ų421%0.00923%0.229CC..  trans-61.1-73.3169.6-173.8-107.1000110.4H163 Y173 V176 R191 Y287 P291 M478 D479H163-F289 HydrophobicContact CB-CB 4.34Å; H163-F289 PolarHBondContact ND1-N 2.89Å; Y173-F289 AromaticContact CD2-CE1 3.99Å; Y173-F289 HydrophobicContact CD2-CE1 3.99Å; Y173-F289 AromaticContact CG-CE1 3.98Å; Y173-F289 HydrophobicContact CG-CE1 3.98Å; Y173-F289 HydrophobicContact CG-CZ 4.12Å; V176-F289 HydrophobicContact CG2-CE1 3.87Å; R191-F289 HydrophobicContact CB-CB 4.15Å; R191-F289 HydrophobicContact CB-CD1 3.64Å; R191-F289 HydrophobicContact CB-CE1 4.11Å; R191-F289 HydrophobicContact CB-CG 3.88Å; R191-F289 HydrophobicContact CG-CB 4.11Å; R191-F289 HydrophobicContact CG-CD1 3.76Å; R191-F289 HydrophobicContact CG-CD2 3.78Å; R191-F289 HydrophobicContact CG-CE1 4.04Å; R191-F289 HydrophobicContact CG-CE2 4.05Å; R191-F289 HydrophobicContact CG-CG 3.62Å; R191-F289 HydrophobicContact CG-CZ 4.17Å; Y287-F289 HydrophobicContact CE1-CB 4.23Å; Y287-F289 HydrophobicContact CE2-CB 4.32Å; F289-P291 VanDerWaalsContact O-CD 3.23Å; F289-P291 WeakPolarHBondContact O-CD 3.46Å; F289-M478 HydrophobicContact CD1-CE 3.75Å; F289-M478 HydrophobicContact CD2-CB 4.09Å; F289-M478 HydrophobicContact CD2-CE 3.73Å; F289-M478 HydrophobicContact CE1-CE 3.6Å; F289-M478 HydrophobicContact CE2-CB 4.08Å; F289-M478 HydrophobicContact CE2-CE 3.59Å; F289-M478 HydrophobicContact CG-CE 3.82Å; F289-M478 HydrophobicContact CZ-CE 3.52Å; F289-M478 WeakPolarHBondContact O-CE 3.31Å; F289-D479 VanDerWaalsContact CE2-OD1 3.31Å; F289-D479 WeakPolarHBondContact CE2-OD1 3.5Å
290F90.1Very high86.9Confident6 Ų643 Ų433%0.02623%0.233CC..SBendtrans-59.1117.5176.9-53.7-63.4000112.5H163 T165 A170 Y173 V176 H189 R191 I293H163-F290 PolarHBondContact CE1-O 3.38Å; H163-F290 AromaticContact ND1-CD2 3.8Å; H163-F290 PolarHBondContact ND1-N 2.89Å; H163-F290 WeakPolarHBondContact O-CE2 3.23Å; T165-F290 HydrophobicContact CG2-CB 4.43Å; T165-F290 HydrophobicContact CG2-CD1 3.74Å; T165-F290 HydrophobicContact CG2-CD2 3.58Å; T165-F290 HydrophobicContact CG2-CE1 3.79Å; T165-F290 HydrophobicContact CG2-CE2 3.63Å; T165-F290 HydrophobicContact CG2-CG 3.63Å; T165-F290 HydrophobicContact CG2-CZ 3.75Å; A170-F290 HydrophobicContact CB-CD1 4.37Å; A170-F290 HydrophobicContact CB-CE1 3.77Å; A170-F290 HydrophobicContact CB-CZ 4.29Å; Y173-F290 HydrophobicContact CD2-CD1 4.37Å; Y173-F290 HydrophobicContact CD2-CE1 4.02Å; Y173-F290 HydrophobicContact CE2-CD1 4.19Å; Y173-F290 HydrophobicContact CE2-CE1 4.28Å; V176-F290 HydrophobicContact CG1-CZ 4.07Å; V176-F290 HydrophobicContact CG2-CE1 4.22Å; V176-F290 HydrophobicContact CG2-CZ 4.01Å; H189-F290 HydrophobicContact CB-CZ 4.4Å; H189-F290 VanDerWaalsContact O-CE2 3.23Å; H189-F290 WeakPolarHBondContact O-CE2 3.44Å; H189-F290 WeakPolarHBondContact O-CZ 3.39Å; R191-F290 HydrophobicContact CB-CE2 4.47Å; R191-F290 HydrophobicContact CB-CZ 4.4Å; F290-I293 HydrophobicContact CB-CB 4.03Å; F290-I293 HydrophobicContact CB-CG1 3.83Å
291P79.7Confident84.4Confident79 Ų7951.7 Ų51.751%0.51327%0.266SS..THydrogen-bonded Turntrans-65.6150.9179.2-22.735.2000112.8F289 I293 M478F289-P291 VanDerWaalsContact O-CD 3.23Å; F289-P291 WeakPolarHBondContact O-CD 3.46Å; P291-I293 PolarHBondContact O-N 3.28Å; P291-M478 HydrophobicContact CG-SD 4.35Å
292D80Confident81.7Confident162 Ų16254 Ų5487%0.86628%0.284SS*.THydrogen-bonded Turntrans57.1-0.2-177-69-40000116.4
293I86.2Confident78.6Confident54 Ų5458.1 Ų58.128%0.27731%0.312SS..  trans-89.5134.6173.7-55.5-57.6000110.5Q159 H163 F290 P291 I296Q159-I293 PolarHBondContact NE2-O 3.12Å; H163-I293 PolarHBondContact CE1-O 2.88Å; F290-I293 HydrophobicContact CB-CB 4.03Å; F290-I293 HydrophobicContact CB-CG1 3.83Å; P291-I293 PolarHBondContact O-N 3.28Å; I293-I296 HydrophobicContact CG2-CG2 4.33Å
294G86.1Confident75.4Confident40 Ų4064.7 Ų64.741%0.41234%0.343SS..  trans-102.4-178.3171.600000112.2Q159 I296Q159-G294 VanDerWaalsContact NE2-C 3.27Å; G294-I296 PolarHBondContact O-N 3.42Å; G294-I296 VanDerWaalsContact O-N 3.1Å
295D88.6Confident72.2Confident31 Ų3167.8 Ų67.817%0.16637%0.365CS..  trans-51.2115.4166.2167.313.9000110.2R271 N297 A298R271-D295 IonicContact CZ-OD2 2.75Å; R271-D295 IonicContact NH1-OD2 2.82Å; R271-D295 PolarHBondContact NH1-OD2 3.3Å; D295-N297 VanDerWaalsContact C-N 3.25Å; D295-N297 PolarHBondContact O-N 3.37Å; D295-N297 WeakPolarHBondContact OD1-CA 3.36Å; D295-N297 WeakPolarHBondContact OD1-CB 3.46Å; D295-N297 PolarHBondContact OD1-N 3.46Å; D295-A298 HydrophobicContact CB-CB 4Å; D295-A298 VanDerWaalsContact CG-N 3.26Å; D295-A298 WeakPolarHBondContact O-CB 3.3Å; D295-A298 PolarHBondContact O-N 2.9Å; D295-A298 PolarHBondContact OD1-N 2.9Å; D295-A298 VanDerWaalsContact OD1-N 3.09Å; D295-A298 WeakPolarHBondContact OD2-CA 3.4Å; D295-A298 WeakPolarHBondContact OD2-CB 3.26Å; D295-A298 PolarHBondContact OD2-N 2.86Å
296I91Very high69.1Low57 Ų5768.8 Ų68.829%0.29238%0.378SS..THydrogen-bonded Turntrans-75.8-13.5-178.261.8162.9000113.3T164 Y188 Y219 I293 G294T164-I296 HydrophobicContact CG2-CD1 3.65Å; T164-I296 WeakPolarHBondContact O-CG2 3.35Å; Y188-I296 HydrophobicContact CD1-CD1 4.18Å; Y188-I296 HydrophobicContact CE1-CD1 4.21Å; Y219-I296 HydrophobicContact CE2-CD1 4.21Å; I293-I296 HydrophobicContact CG2-CG2 4.33Å; G294-I296 PolarHBondContact O-N 3.42Å; G294-I296 VanDerWaalsContact O-N 3.1Å
297N87.8Confident66Low21 Ų2173.6 Ų73.611%0.11241%0.409CS..THydrogen-bonded Turntrans-102.5-3177.5-72.3-53.5000112.7D158 G215 Y219 D295D158-N297 PolarHBondContact OD2-ND2 3.37Å; G215-N297 VanDerWaalsContact CA-CG 3.49Å; Y219-N297 WeakPolarHBondContact CE1-ND2 3.21Å; D295-N297 VanDerWaalsContact C-N 3.25Å; D295-N297 PolarHBondContact O-N 3.37Å; D295-N297 WeakPolarHBondContact OD1-CA 3.36Å; D295-N297 WeakPolarHBondContact OD1-CB 3.46Å; D295-N297 PolarHBondContact OD1-N 3.46Å
298A80.2Confident62.9Low20 Ų2080.8 Ų80.817%0.16545%0.447CS..SBendtrans-56.5137.6174.800000111.9D295D295-A298 HydrophobicContact CB-CB 4Å; D295-A298 VanDerWaalsContact CG-N 3.26Å; D295-A298 WeakPolarHBondContact O-CB 3.3Å; D295-A298 PolarHBondContact O-N 2.9Å; D295-A298 PolarHBondContact OD1-N 2.9Å; D295-A298 VanDerWaalsContact OD1-N 3.09Å; D295-A298 WeakPolarHBondContact OD2-CA 3.4Å; D295-A298 WeakPolarHBondContact OD2-CB 3.26Å; D295-A298 PolarHBondContact OD2-N 2.86Å
299F66.8Low60.1Low73 Ų7379.1 Ų79.132%0.3246%0.458SS..  trans-64133.3172.3-103.8-91.3000110.5P247 W301 S302P247-F299 HydrophobicContact CB-CE2 3.72Å; P247-F299 HydrophobicContact CB-CZ 3.72Å; P247-F299 WeakPolarHBondContact O-CD2 3.42Å; P247-F299 WeakPolarHBondContact O-CE2 3.42Å; F299-W301 PolarHBondContact O-N 2.87Å; F299-S302 PolarHBondContact O-N 2.72Å; F299-S302 PolarHBondContact O-OG 3.29Å
300P47.7Very low57.2Low93 Ų9384.5 Ų84.560%0.60450%0.496SS*.THydrogen-bonded Turntrans-59-2.8-172.3-2936000117.4
301W42.7Very low54.4Low186 Ų18689.6 Ų89.671%0.70553%0.533SS*.THydrogen-bonded Turntrans-80.4-27179.6-60.5-14000113.4F299 S303F299-W301 PolarHBondContact O-N 2.87Å; W301-S303 VanDerWaalsContact C-N 3.35Å
302S40.2Very low52.1Low65 Ų6591.2 Ų91.246%0.45555%0.546SS..THydrogen-bonded Turntrans-74.5-23.617554.70000113.3F299F299-S302 PolarHBondContact O-N 2.72Å; F299-S302 PolarHBondContact O-OG 3.29Å
303S33.1Very low49.7Very low86 Ų8690.6 Ų90.660%0.60154%0.541SS*.THydrogen-bonded Turntrans-98.922.5-167.8-65.60000115.8W301 S305W301-S303 VanDerWaalsContact C-N 3.35Å; S303-S305 PolarHBondContact O-N 3.06Å
304Q27.9Very low47Very low158 Ų15893.9 Ų93.974%0.73857%0.566SS**  trans-75.441.3-177.8-68.4-153.243.100115.9S306Q304-S306 PolarHBondContact O-N 3.12Å
305S29.9Very low44.1Very low66 Ų6698.1 Ų98.146%0.46258%0.584SS.*  trans-87.775164.2154.10000109.9S303 R752S303-S305 PolarHBondContact O-N 3.06Å; S305-R752 PolarHBondContact OG-NH1 3.2Å; S305-R752 PolarHBondContact OG-NH2 2.89Å
306S26.8Very low41.4Very low70 Ų70101.8 Ų101.849%0.4961%0.612SS.*  trans-73.5139.7-161.851.30000117.4Q304Q304-S306 PolarHBondContact O-N 3.12Å
307P27.1Very low38.5Very low125 Ų125104.3 Ų104.381%0.81263%0.634SS**  trans-98.948.9163.239.3-33.6000112.1S309P307-S309 PolarHBondContact O-N 2.99Å
308L28.9Very low35.7Very low154 Ų154107.8 Ų107.881%0.80666%0.66SS**  trans-68.1109169.4-129.976.3000109.3
309S31.9Very low33.2Very low113 Ų113116.6 Ų116.679%0.7970%0.695SS**  trans-77155.1176.353.60000111P307P307-S309 PolarHBondContact O-N 2.99Å
310S28.5Very low31.5Very low115 Ų115116.8 Ų116.880%0.80472%0.718SS**  trans-81.4134.5-174.251.30000113
311S31.2Very low30.5Very low114 Ų114118 Ų11880%0.79773%0.729SS**  trans-157.9152.7150.6-104.30000113.8
312S32Very low29.6Very low113 Ų113115.2 Ų115.279%0.7974%0.736SS**  trans46.1108.6162.154.40000120.3
313I28.5Very low28.8Very low149 Ų149118.2 Ų118.276%0.76475%0.752SS**  trans-87.4136.4161-56.3161.1000109.4T315I313-T315 HydrophobicContact CG2-CG2 3.63Å
314P30.4Very low28.5Very low122 Ų122119.5 Ų119.579%0.79276%0.761SS**  trans-96.9116.7154.432.6-26000110.6
315T26.1Very low28.4Very low129 Ų129118 Ų11879%0.79176%0.763SS**  trans-95.6105.3-177.550.90000113.4I313I313-T315 HydrophobicContact CG2-CG2 3.63Å
316S31.1Very low28.1Very low109 Ų109119.9 Ų119.976%0.76278%0.776SS**  trans-163.9148.2160.952.80000111
317S30.3Very low28.2Very low109 Ų109123 Ų12376%0.76279%0.793SS**  cis-168.9115.5-27.846.70000110.9
318S28.3Very low28.2Very low94 Ų94126.3 Ų126.366%0.65779%0.794SS**  trans78.4151.3151.4-149.90000122
319F29.1Very low28.2Very low205 Ų205125.6 Ų125.690%0.89980%0.796SS**  trans71.2140.3165.9-57.1-67.4000120.2
320G30.7Very low28Very low78 Ų78125.9 Ų125.980%0.80479%0.793SS**  trans139.633.7165.800000119.4
321S25.6Very low27.9Very low119 Ų119128.8 Ų128.883%0.83279%0.794SS**  trans-93.9116179167.50000113.5
322C23.7Very low27.6Very low126 Ų126128.6 Ų128.685%0.85179%0.793SS**  trans-149.2115159.751.10000113.8
323T23.5Very low27.5Very low129 Ų129128.5 Ų128.579%0.79179%0.792SS**  trans-91.7138.2167.650.20000110.9
324S27.5Very low27.3Very low113 Ų113126.2 Ų126.279%0.7979%0.789SS**  trans-169.7116.9150.3-89.80000116
325T25Very low27.1Very low125 Ų125125.7 Ų125.777%0.76779%0.788SS**  65.290.7118.2-43.50000120.7
326S24.4Very low27.1Very low107 Ų107127 Ų12775%0.74879%0.789SS**  51114.1123.4170.70000120.9
327T29.8Very low26.9Very low136 Ų136128.6 Ų128.683%0.83479%0.789SS**  trans-132131.2138.6-7.40000110.2
328K25.1Very low26.7Very low193 Ų193127.8 Ų127.884%0.83978%0.783SS**  trans-73.3138.6162.4-78.3-176.2172.4-173.70108.8
329V30.6Very low26.5Very low140 Ų140128.9 Ų128.985%0.84878%0.782SS**  trans-128.8133.7155.5-172.60000106.7
330T26.2Very low26.2Very low118 Ų118125.5 Ų125.572%0.72478%0.782SS**  trans-92.8165.7-174.339.30000112.6
331E26.8Very low25.9Very low176 Ų176126.2 Ų126.282%0.82278%0.775SS**  trans-62.8146.4-177-53116.5135.100113.4
332S25.3Very low25.8Very low111 Ų111126.7 Ų126.778%0.77677%0.768SS**  trans178.4157.7131.5-80.40000111.5
333S29.4Very low26Very low110 Ų110127.1 Ų127.177%0.76977%0.767SS**  trans56.5103170.538.40000116.5
334S25.1Very low26.1Very low102 Ų102128.7 Ų128.771%0.71377%0.765SS**  94.6129.352.567.80000113.7
335S24.6Very low26.2Very low110 Ų110130.8 Ų130.877%0.76977%0.766SS**  trans49.682.6155.260.80000118.1
336L28Very low26.4Very low156 Ų156131 Ų13182%0.81776%0.761SS**  trans-132.3118.5144.3-74178.7000110.5
337L26.3Very low26.6Very low143 Ų143133.4 Ų133.475%0.74977%0.766SS**  trans44.1114.9133.6-49.7176.3000117.9
338S25.5Very low26.7Very low93 Ų93136.5 Ų136.565%0.6577%0.768SS**  64.4128.361.582.70000114.2
339N23.7Very low27.1Very low116 Ų116132.1 Ų132.162%0.6276%0.762SS**  trans73.1108.5-167.6-63-13.7000115.5
340C24.2Very low27.1Very low134 Ų134132.8 Ų132.891%0.90576%0.76SS**  trans-134.551.4157.8-69.40000110.8
341S23.8Very low27.4Very low93 Ų93135.2 Ų135.265%0.6576%0.763SS**  trans-72.7154.9154.139.10000109.5
342N23.9Very low27.6Very low130 Ų130132.6 Ų132.670%0.69576%0.755SS**  trans6698.2-175.4-57.4-17.7000116
343V26.9Very low27.7Very low135 Ų135133 Ų13382%0.81875%0.753SS**  trans-108105.5149.5176.60000107.6L345V343-L345 PolarHBondContact O-N 3.07Å
344Q26.9Very low27.6Very low162 Ų162134.3 Ų134.376%0.75775%0.751SS**  trans-77.1117.3169-73.3179.1-34.700109.2I346Q344-I346 HydrophobicContact CB-CG1 4.19Å; Q344-I346 PolarHBondContact O-N 3.42Å; Q344-I346 VanDerWaalsContact O-N 3.17Å
345L28.1Very low27.8Very low156 Ų156133.5 Ų133.582%0.81775%0.745SS**  trans-76.195.7161.1-76.9169.7000108.2V343V343-L345 PolarHBondContact O-N 3.07Å
346I28.9Very low28.1Very low129 Ų129136.4 Ų136.466%0.66275%0.747SS**  trans-83.2113171.8-63.8177.1000108.3Q344Q344-I346 HydrophobicContact CB-CG1 4.19Å; Q344-I346 PolarHBondContact O-N 3.42Å; Q344-I346 VanDerWaalsContact O-N 3.17Å
347D30.4Very low27.9Very low158 Ų158135.6 Ų135.685%0.84575%0.748SS**  trans-59.4141.9170.2-105.7-37.4000111.2
348K31.5Very low27.9Very low202 Ų202133 Ų13388%0.87874%0.742SS**  trans-107.998178.4-74-174.2178.2178.50111.1
349S32.6Very low28.1Very low101 Ų101137 Ų13771%0.70675%0.75SS**  trans-112.6102.1162.4620000110.8
350D31.9Very low28.2Very low153 Ų153137.5 Ų137.582%0.81876%0.757SS**  trans60.9150.7140.7-55.2-33.9000123.7
351E31.4Very low28.4Very low169 Ų169138.7 Ų138.779%0.7976%0.755SS**  trans79.9130.9155.8-68.3-82107.300122.3
352N30.3Very low28.5Very low122 Ų122141.6 Ų141.665%0.65276%0.758SS**  trans66.187.9149.5-81.2-56.5000123.9
353V29Very low28.7Very low119 Ų119141.5 Ų141.572%0.72176%0.757SS**  53.794.1104-178.10000118.3
354N25.5Very low28.7Very low138 Ų138141.5 Ų141.574%0.73875%0.751SS**  53.9108.9119.5-179.964.6000120.4
355S30.8Very low28.7Very low84 Ų84140.7 Ų140.759%0.58775%0.751SS**  176.5134.8108.5-76.20000114.4
356Q29.5Very low28.6Very low172 Ų172138 Ų13880%0.80474%0.744SS**  trans58.7119.1139.5-65.2176.16.700119
357V25.1Very low28.8Very low138 Ų138139 Ų13984%0.83675%0.746SS**  65.2125.280.1173.60000111.2
358S26.1Very low28.7Very low89 Ų89138 Ų13862%0.62274%0.741SS**  cis-15017023.250.90000115.4
359E28.5Very low28.6Very low176 Ų176135 Ų13582%0.82274%0.74SS**  trans60.3108.8140.9-74.6161.2167.200122.3
360V26.2Very low28.3Very low127 Ų127138 Ų13877%0.7774%0.742SS**  trans-17.3126.9137.5-179.90000115.3
361N29.2Very low28Very low160 Ų160135.5 Ų135.586%0.85673%0.733SS**  trans-157.3159.7130.1-105.9-43.6000111.8
362E25.7Very low27.7Very low154 Ų154136 Ų13672%0.7273%0.732SS**  trans-85.7176.9-170.8-58.1178.915000114.2
363N27.8Very low27.5Very low127 Ų127134.7 Ų134.768%0.67973%0.733SS**  trans94.1128.4142.1-73.2-46.8000121.6
364I27.7Very low27.4Very low136 Ų136135.2 Ų135.270%0.69773%0.731SS**  trans88.991.8138.4-68.8168.2000119.4
365I26.6Very low27.6Very low145 Ų145134.6 Ų134.674%0.74473%0.728SS**  70.5116.8114.8-67.5169.1000120.6
366S26.3Very low27.5Very low98 Ų98135.8 Ų135.869%0.68573%0.728SS**  trans94.7141.1137-80.40000125.3
367H32.2Very low27.5Very low150 Ų150133.1 Ų133.169%0.69472%0.719SS**  trans61.2100.6145.6-75.1-64.8000121.5
368D28Very low27.7Very low137 Ų137133 Ų13373%0.73371%0.713SS**  65.6164.3106.7-61.5-3.9000123.3
369V30.1Very low27.8Very low141 Ų141134 Ų13486%0.85572%0.717SS**  trans92.7109.1161.7-169.10000115.8
370E25.8Very low27.7Very low162 Ų162131 Ų13176%0.75771%0.71SS**  trans-57.3157.4167.7-37.5169.7118.200111.9
371T25.6Very low27.9Very low102 Ų102130.5 Ų130.563%0.62671%0.707SS**  176.3147.2101.231.30000113.2
372K26.5Very low27.8Very low180 Ų180127.1 Ų127.178%0.78370%0.702SS**  trans36129.3132.6-59.5163.3-171.6162.60117
373S26.2Very low28Very low94 Ų94127.1 Ų127.166%0.65771%0.705SS**  cis170.5173.724410000111.6
374N26.6Very low27.9Very low130 Ų130127.6 Ų127.670%0.69571%0.708SS**  trans63.4108.1140.7-74.717.1000120
375N28.5Very low27.9Very low125 Ų125127.5 Ų127.567%0.66871%0.708SS**  138.9136.288.6-94.713.5000116.3
376N29.3Very low27.8Very low109 Ų109126.1 Ų126.158%0.58371%0.707SS**  trans75107.7136.7-70.951.4000121.5
377D30.1Very low27.9Very low115 Ų115130.4 Ų130.462%0.61572%0.716SS**  99.5138106.2-72.7-0.2000121.4
378N29.8Very low27.6Very low135 Ų135132.9 Ų132.972%0.72273%0.725SS**  trans70.8139.9143.4-66.1-21.1000118
379T28.3Very low28.1Very low112 Ų112131.9 Ų131.969%0.68773%0.726SS**  cis-157.9167.3-0.74.30000111.4
380T26Very low27.8Very low112 Ų112131.6 Ų131.669%0.68772%0.724SS**  trans15.8136.5138.5-19.60000117.3
381T29.9Very low27.8Very low116 Ų116134.1 Ų134.171%0.71273%0.727SS**  -169.7149.460.4-51.10000112.5
382A26.8Very low27.7Very low89 Ų89133.8 Ų133.874%0.73673%0.728SS**  trans-106.3146.1167.300000111.2
383I30.2Very low27.8Very low155 Ų155130.8 Ų130.880%0.79572%0.724SS**  trans-146.2146.5163.525.2-161.7000109.7
384N24.6Very low27.9Very low136 Ų136131.6 Ų131.673%0.72773%0.725SS**  trans-100.3-160.3-163.6-45.1-66.9000112.6
385N28.8Very low28.1Very low134 Ų134131.2 Ų131.272%0.71772%0.723SS**  trans95.7112.8163.5-50-14.9000113.6
386T24.5Very low28.2Very low116 Ų116133.4 Ų133.471%0.71273%0.727SS**  60.3117.262.271.90000111.8
387E27.9Very low28.4Very low189 Ų189133.9 Ų133.988%0.88373%0.734SS**  -161.7-173.879.3-92.1176.3174.800113.9
388K25.8Very low28.4Very low202 Ų202135 Ų13588%0.87874%0.74SS**  trans-99-147.7-178.6-61-178.1175.2179.20112.4
389P37.8Very low28.6Very low116 Ų116135.6 Ų135.675%0.75374%0.743SS**  -121.7178.7-120.138.9-19.3000114.7
390V25.7Very low28.8Very low135 Ų135137.3 Ų137.382%0.81875%0.748SS**  trans163.9128.9156145.60000105.6
391R24.7Very low29Very low215 Ų215138 Ų13881%0.81175%0.754SS**  cis106.5122.327178174.3-178.8171.15.6112.1
392C23.5Very low28.9Very low95 Ų95137.6 Ų137.664%0.64276%0.756SS**  trans68.9153.2169-700000115.9
393T28.1Very low28.9Very low116 Ų116139.2 Ų139.271%0.71276%0.757SS**  cis-155.2129.63.53.50000109.2
394V28.9Very low28.6Very low111 Ų111138.4 Ų138.467%0.67376%0.759SS**  70108.1101.3176.10000117
395D30.3Very low28.6Very low123 Ų123137.2 Ų137.266%0.65876%0.757SS**  -174.2127.5114.9-98.5-32.1000109.5
396K32.1Very low28.7Very low171 Ų171137.2 Ų137.274%0.74376%0.762SS**  63.4136.987.4-63.4-165.7-158.689.50113.8
397T31.9Very low28.8Very low118 Ų118138.3 Ų138.372%0.72476%0.763SS**  cis-145.1154.122.950.40000113.7
398N31.2Very low29Very low139 Ų139136.8 Ų136.874%0.74376%0.761SS**  trans37.9145.3140.3-67.638.2000121.8
399D34.2Very low29.1Very low148 Ų148133.8 Ų133.879%0.79176%0.755SS**  cis-142.7167.336.4-92.3-49.4000115
400N31.7Very low28.7Very low148 Ų148135.6 Ų135.679%0.79176%0.758SS**  trans-65.8151.1179.2-71.7-38.3000113.5
401P30.3Very low28.8Very low127 Ų127137.8 Ų137.883%0.82576%0.764SS**  cis-146.113645.138-17.5000118.5
402S28.6Very low28.9Very low107 Ų107135.1 Ų135.175%0.74876%0.76SS**  trans-162.3166.2161.255.40000112.6
403V25.1Very low28.9Very low123 Ų123136.9 Ų136.975%0.74576%0.757SS**  trans4.8116.2165.9-175.20000117.7T405V403-T405 HydrophobicContact CG1-CG2 4.17Å
404T25.5Very low28.8Very low138 Ų138137.4 Ų137.485%0.84776%0.764SS**  trans-106.882.4159.8550000110.8
405T24Very low28.6Very low110 Ų110137.7 Ų137.768%0.67576%0.758SS**PPolyproline II helixtrans-84.3125.5148.542.80000107.1V403V403-T405 HydrophobicContact CG1-CG2 4.17Å
406T30.7Very low28.4Very low135 Ų135139 Ų13983%0.82877%0.771SS**PPolyproline II helixtrans-101.4118.7167.345.50000108.3
407D27.4Very low28.2Very low138 Ų138137.4 Ų137.474%0.73877%0.766SS**PPolyproline II helixtrans-65.6145-179.4-46.9-74.2000111.8
408N31.3Very low28Very low157 Ų157137.8 Ų137.884%0.8477%0.774SS**  trans-139144.8137.8-92.2-46000106.8
409N27.3Very low27.8Very low140 Ų140136.6 Ų136.675%0.74977%0.771SS**  trans-70.4136.9179.9-37.7-81.6000109.1
410D29.7Very low27.5Very low154 Ų154136.3 Ų136.382%0.82477%0.77SS**  -159.1146.5102.6-81.4-34.5000108.7
411I27.9Very low27.5Very low181 Ų181134 Ų13493%0.92877%0.772SS**  trans-107.393-176.7-59.1177.6000108
412E26.4Very low27.4Very low159 Ų159135.2 Ų135.274%0.74377%0.771SS**  trans-117.7141.7177.9-166.1161.8-121.800112.3C414E412-C414 PolarHBondContact O-N 2.76Å
413F24.5Very low27.4Very low131 Ų131135.7 Ų135.758%0.57577%0.769SS**  trans-95.896.6-168.5175.9-97.8000109.7Q415 V1326F413-Q415 VanDerWaalsContact C-N 3.32Å; F413-Q415 HydrophobicContact CD1-CG 3.96Å; F413-Q415 HydrophobicContact CE1-CG 4.09Å; F413-Q415 PolarHBondContact O-N 3.35Å; F413-V1326 HydrophobicContact CB-CG2 3.63Å; F413-V1326 HydrophobicContact CD1-CG2 3.67Å; F413-V1326 HydrophobicContact CD2-CG1 4.28Å; F413-V1326 HydrophobicContact CD2-CG2 3.94Å; F413-V1326 HydrophobicContact CE1-CG1 4.47Å; F413-V1326 HydrophobicContact CE1-CG2 4.22Å; F413-V1326 HydrophobicContact CE2-CG1 4.07Å; F413-V1326 HydrophobicContact CE2-CG2 4.45Å; F413-V1326 HydrophobicContact CG-CG2 3.51Å; F413-V1326 HydrophobicContact CZ-CG1 4.17Å
414C25.1Very low27.4Very low127 Ų127136 Ų13686%0.85877%0.771SS**  trans-66.485.5-178.4-740000112.9E412E412-C414 PolarHBondContact O-N 2.76Å
415Q25.4Very low27.6Very low117 Ų117136.8 Ų136.855%0.54777%0.77SS.*  trans-56.6149.6150.3-55.6171.5800109.1F413 Q417F413-Q415 VanDerWaalsContact C-N 3.32Å; F413-Q415 HydrophobicContact CD1-CG 3.96Å; F413-Q415 HydrophobicContact CE1-CG 4.09Å; F413-Q415 PolarHBondContact O-N 3.35Å; Q415-Q417 HydrophobicContact CB-CG 4.41Å; Q415-Q417 PolarHBondContact O-N 2.87Å
416T25.4Very low27.6Very low151 Ų151141.2 Ų141.293%0.92678%0.78SS**SBendtrans-80.663.7173.949.30000111.8
417Q27.6Very low27.6Very low137 Ų137140.9 Ų140.964%0.6478%0.783SS**  trans-90.5143.7161.1-60.2-164.240.100109.4Q415Q415-Q417 HydrophobicContact CB-CG 4.41Å; Q415-Q417 PolarHBondContact O-N 2.87Å
418S28.3Very low27.8Very low127 Ų127139.3 Ų139.389%0.88878%0.783SS**  trans-109.8108178.6-680000109.6
419T26.9Very low27.6Very low113 Ų113141.4 Ų141.469%0.69379%0.785SS**  trans-123.6119.2-176.245.20000112.9
420N28.7Very low27.9Very low143 Ų143139.9 Ų139.977%0.76579%0.785SS**  trans44.594.8146.7-57.9-10.5000119.3N422N420-N422 PolarHBondContact O-N 3.42Å; N420-N422 VanDerWaalsContact O-N 3.15Å
421A31.1Very low27.8Very low100 Ų100137.4 Ų137.483%0.82678%0.775SS**  trans-73.595.8159.900000111.1V423A421-V423 PolarHBondContact O-N 3Å
422N28.4Very low27.9Very low151 Ų151135.2 Ų135.281%0.80777%0.766SS**  trans-67.899.2177.4-87.4-42.5000112.5N420 T424N420-N422 PolarHBondContact O-N 3.42Å; N420-N422 VanDerWaalsContact O-N 3.15Å; N422-T424 PolarHBondContact O-N 2.7Å
423V29.7Very low28.1Very low118 Ų118133.4 Ų133.472%0.71576%0.761SS**  trans-81.2113.5171.4177.30000110.2A421 L425A421-V423 PolarHBondContact O-N 3Å; V423-L425 HydrophobicContact CG1-CD1 4.36Å; V423-L425 HydrophobicContact CG1-CG 4.32Å; V423-L425 PolarHBondContact O-N 3.29Å; V423-L425 VanDerWaalsContact O-N 3.15Å
424T24.4Very low28.4Very low128 Ų128134.2 Ų134.279%0.78577%0.769SS**  trans-76.598178.1-59.80000111.6N422N422-T424 PolarHBondContact O-N 2.7Å
425L28.6Very low28.7Very low156 Ų156131.4 Ų131.482%0.81776%0.763SS**  trans-117.2142.2166.4-80.7170.3000112.1V423V423-L425 HydrophobicContact CG1-CD1 4.36Å; V423-L425 HydrophobicContact CG1-CG 4.32Å; V423-L425 PolarHBondContact O-N 3.29Å; V423-L425 VanDerWaalsContact O-N 3.15Å
426K25.3Very low28.9Very low202 Ų202132.4 Ų132.488%0.87877%0.772SS**  trans-100.8131-172.1-58.4165.2-175.4166.90110
427S30.9Very low29.4Very low128 Ų128132.4 Ų132.490%0.89576%0.761SS**  trans-144.8163.2152.8-162.80000110.7
428S30.7Very low29.5Very low106 Ų106132 Ų13274%0.74176%0.761SS**  trans-128.7129.5-162.255.60000113.7
429K27.5Very low29.6Very low201 Ų201131.4 Ų131.487%0.87475%0.748SS**  trans1.8119.9162.6-68.5-175.6173.9-1740118.8
430S32.7Very low29.8Very low107 Ų107130.7 Ų130.775%0.74874%0.74SS**  trans-152.899.1133.451.30000108.1
431T27.5Very low30.1Very low102 Ų102130.1 Ų130.163%0.62674%0.737SS**  56.611677.167.90000114.5
432D29.8Very low30.7Very low136 Ų136128.6 Ų128.673%0.72772%0.719SS**  trans77.3139.3140.8-62.924.7000117.5
433N30.6Very low30.9Very low121 Ų121126 Ų12665%0.64771%0.709SS**  cis-166.4166.3-1-125.8-35.8000114.9
434I31.5Very low31.1Very low147 Ų147126.2 Ų126.275%0.75471%0.71SS**  trans66.9117.5148.6-65158.2000120.6
435G30.9Very low31.6Very low69 Ų69126 Ų12671%0.71171%0.709SS**  96.4150.1122.100000119.6
436D31.2Very low31.8Very low138 Ų138122.6 Ų122.674%0.73870%0.703SS**  cis-165.9150.8-12.9-139.7-15.4000112.6
437H34.4Very low32.4Very low151 Ų151119.1 Ų119.170%0.69970%0.699SS**  trans56.6159.2165-81.6-92.1000122.4
438I31.1Very low32.7Very low127 Ų127117.8 Ų117.865%0.65169%0.685SS**  cis-173.3158.5-45.9-123.5159.2000113.4
439D30.7Very low33Very low115 Ų115120.2 Ų120.262%0.61569%0.69SS**  trans70.5107.7159.8-75.418.5000124.6
440D30.5Very low33.2Very low98 Ų98116.6 Ų116.652%0.52468%0.68SS.*  60.2122.5114-68.718.1000122.7R1311D440-R1311 IonicContact OD2-CZ 3.13Å; D440-R1311 IonicContact OD2-NH2 2.68Å; D440-R1311 PolarHBondContact OD2-NH2 3.36Å
441N35.8Very low33.5Very low132 Ų132119.3 Ų119.371%0.70669%0.686SS**  cis58.5167.945.3-138.614000113.8F1309N441-F1309 VanDerWaalsContact O-CE1 3.23Å; N441-F1309 WeakPolarHBondContact O-CE1 3.39Å
442P42.1Very low33.8Very low67 Ų67122.2 Ų122.244%0.43570%0.698SS.*  cis-118-145.4-2423.53.3000110.9
443T33.2Very low33.9Very low98 Ų98123 Ų12360%0.60170%0.697SS**  cis-169.8153.114.8-17.70000113.8
444T34Very low34Very low121 Ų121124.2 Ų124.274%0.74270%0.702SS**  trans67.3155.5146.843.10000122
445T34.2Very low33.9Very low124 Ų124124.1 Ų124.176%0.76170%0.699SS**  cis-154.2136.922.2-21.10000115.1
446A33.8Very low34Very low84 Ų84128.2 Ų128.269%0.69470%0.703SS**  trans38.8159.9145.700000122.4
447V38.4Very low33.9Very low129 Ų129127.2 Ų127.278%0.78270%0.702SS**  cis-139.9113.420.8177.50000108.8
448V35.7Very low33.6Very low100 Ų100125.7 Ų125.761%0.60671%0.708SS**  62.2109.198.7-175.80000116.4N450V448-N450 WeakPolarHBondContact CG1-ND2 3.33Å
449D38.6Very low33.6Very low157 Ų157124.4 Ų124.484%0.8471%0.711SS**  -144164.5115.5-124.2-33.2000110.2
450N30.7Very low33.8Very low126 Ų126127.5 Ų127.567%0.67472%0.721SS**  trans-122.6129.8-153.3-48.4-92.6000115.5V448V448-N450 WeakPolarHBondContact CG1-ND2 3.33Å
451D39.7Very low33.7Very low164 Ų164131.9 Ų131.988%0.87774%0.736SS**  trans-129.9137.1157.5-103.8-46.9000108.2E453D451-E453 PolarHBondContact O-N 3.35Å
452D32.4Very low33.9Very low163 Ų163132.5 Ų132.587%0.87274%0.739SS**  trans-77.482.1-170.5-77.5-54.6000113.6I454D452-I454 PolarHBondContact O-N 3.48Å
453E32.7Very low33.8Very low153 Ų153137.8 Ų137.872%0.71576%0.758SS**  trans-71.6104.3167.2-171.9-173.5-133.900111D451 Q455D451-E453 PolarHBondContact O-N 3.35Å; E453-Q455 VanDerWaalsContact C-N 3.33Å; E453-Q455 HydrophobicContact CG-CG 4.24Å; E453-Q455 PolarHBondContact O-N 3.35Å; E453-Q455 PolarHBondContact OE2-NE2 3.45Å
454I32.7Very low34.1Very low146 Ų146138.6 Ų138.675%0.74976%0.759SS**  trans-7388.3172-55.8-180000109.6D452 L456D452-I454 PolarHBondContact O-N 3.48Å; I454-L456 HydrophobicContact CG2-CD1 4.42Å; I454-L456 PolarHBondContact O-N 3.48Å
455Q28.5Very low34.4Very low145 Ų145137 Ų13768%0.67875%0.752SS**  trans-65.9102.3169.8-66-174.1-1.800110.2E453 T457E453-Q455 VanDerWaalsContact C-N 3.33Å; E453-Q455 HydrophobicContact CG-CG 4.24Å; E453-Q455 PolarHBondContact O-N 3.35Å; E453-Q455 PolarHBondContact OE2-NE2 3.45Å; Q455-T457 PolarHBondContact O-N 2.77Å
456L32.8Very low35.2Very low154 Ų154135.7 Ų135.781%0.80674%0.741SS**  trans-63.3107.2168.8-96.586.8000109.6I454I454-L456 HydrophobicContact CG2-CD1 4.42Å; I454-L456 PolarHBondContact O-N 3.48Å
457T29.3Very low36.5Very low118 Ų118135 Ų13572%0.72473%0.73SS**  trans-67142.9177.9480000111.5Q455 S459Q455-T457 PolarHBondContact O-N 2.77Å; T457-S459 PolarHBondContact O-N 3.02Å
458S29.6Very low37.5Very low118 Ų118133.2 Ų133.283%0.82572%0.716SS**SBendtrans-81.975.2-162.857.30000113.7
459S30.1Very low38.9Very low100 Ų100130.4 Ų130.470%0.69970%0.701SS**  trans-144.210.6175.657.70000117.5T457T457-S459 PolarHBondContact O-N 3.02Å
460E34.4Very low40.4Very low180 Ų180126.2 Ų126.284%0.84168%0.675SS**  trans-12647.6176.2-64.6-163.3161.900114.1D462E460-D462 PolarHBondContact O-N 3.27Å
461K29.3Very low42.2Very low190 Ų190122.4 Ų122.483%0.82665%0.654SS**  trans-85.5104.8166.6-67.4-176.4179.7-178.70109.2
462D39.5Very low43.5Very low145 Ų145119 Ų11978%0.77563%0.632SS**SBendtrans171.6-11.3146.7-90.5-9.1000114.2E460E460-D462 PolarHBondContact O-N 3.27Å
463H39.5Very low45.2Very low179 Ų179117.1 Ų117.183%0.82962%0.617SS**SBendtrans-115.8-7.9-178.4-73.7-25.3000116.6
464N40.1Very low46.9Very low115 Ų115113.5 Ų113.562%0.61560%0.602SS**SBendtrans-95.1-3.6-175.8-1523.4000114.5
465S39.8Very low48.5Very low86 Ų86107.1 Ų107.160%0.60157%0.569SS**Hα-helixtrans-66.7-40.4178.747.40000112.8S467 L468 S469S465-S467 VanDerWaalsContact C-N 3.31Å; S465-S467 PolarHBondContact O-N 3.05Å; S465-L468 PolarHBondContact O-N 2.73Å; S465-S469 PolarHBondContact O-N 2.92Å; S465-S469 PolarHBondContact O-OG 3.32Å
466D51.5Low50.3Low98 Ų98105.7 Ų105.752%0.52457%0.565SS.*Hα-helixtrans-78.3-11.4-171-16745.8000114.2S469 K470D466-S469 WeakPolarHBondContact CA-OG 3.36Å; D466-S469 PolarHBondContact O-OG 3.16Å; D466-S469 VanDerWaalsContact O-OG 3.12Å; D466-K470 WeakPolarHBondContact O-CG 3.25Å; D466-K470 PolarHBondContact O-NZ 2.77Å; D466-K470 IonicContact OD1-NZ 3.99Å; D466-K470 PolarHBondContact OD1-NZ 2.68Å; D466-K470 IonicContact OD2-NZ 3.82Å; D466-K470 PolarHBondContact OD2-NZ 3.49Å
467S60.8Low51.9Low68 Ų68105.4 Ų105.448%0.47656%0.56SS.*Hα-helixtrans-85.3-39.6167.1-63.80000111.3S465 K470 I471S465-S467 VanDerWaalsContact C-N 3.31Å; S465-S467 PolarHBondContact O-N 3.05Å; S467-K470 PolarHBondContact O-N 3.35Å; S467-I471 WeakPolarHBondContact O-CG1 3.05Å; S467-I471 PolarHBondContact O-N 3.2Å; S467-I471 VanDerWaalsContact O-N 3.15Å
468L60.1Low53.6Low93 Ų93101.1 Ų101.149%0.48753%0.532SS..Hα-helixtrans-74.2-28.5-177.7-159.277.3000112.5S465 K472S465-L468 PolarHBondContact O-N 2.73Å; L468-K472 WeakPolarHBondContact O-CD 3.31Å; L468-K472 VanDerWaalsContact O-CG 3.27Å; L468-K472 WeakPolarHBondContact O-CG 3.22Å; L468-K472 PolarHBondContact O-N 2.73Å
469S64.1Low55.4Low40 Ų4096.7 Ų96.728%0.2850%0.499SS..Hα-helixtrans-61-54.6168.651.10000111.1S465 D466 I471 K472 E473S465-S469 PolarHBondContact O-N 2.92Å; S465-S469 PolarHBondContact O-OG 3.32Å; D466-S469 WeakPolarHBondContact CA-OG 3.36Å; D466-S469 PolarHBondContact O-OG 3.16Å; D466-S469 VanDerWaalsContact O-OG 3.12Å; S469-I471 VanDerWaalsContact C-N 3.31Å; S469-I471 PolarHBondContact O-N 2.94Å; S469-K472 CarbonylContact O-C 3.47Å; S469-K472 WeakPolarHBondContact O-CA 3.49Å; S469-K472 WeakPolarHBondContact O-CB 3.35Å; S469-K472 PolarHBondContact O-N 2.83Å; S469-E473 WeakPolarHBondContact O-CG 3.41Å; S469-E473 PolarHBondContact O-N 3.25Å
470K70.4Confident57.1Low70 Ų7095.3 Ų95.330%0.30449%0.493SS..Hα-helixtrans-60.4-37.1-178.8-66.2179.2-17262.90112.9D466 S467 E473 I474D466-K470 WeakPolarHBondContact O-CG 3.25Å; D466-K470 PolarHBondContact O-NZ 2.77Å; D466-K470 IonicContact OD1-NZ 3.99Å; D466-K470 PolarHBondContact OD1-NZ 2.68Å; D466-K470 IonicContact OD2-NZ 3.82Å; D466-K470 PolarHBondContact OD2-NZ 3.49Å; S467-K470 PolarHBondContact O-N 3.35Å; K470-E473 PolarHBondContact O-N 3.23Å; K470-I474 WeakPolarHBondContact O-CB 3.49Å; K470-I474 WeakPolarHBondContact O-CD1 3.36Å; K470-I474 VanDerWaalsContact O-CG1 3.23Å; K470-I474 WeakPolarHBondContact O-CG1 3.42Å; K470-I474 PolarHBondContact O-N 2.93Å
471I69Low58.7Low46 Ų4690 Ų9024%0.23648%0.48CS..Hα-helixtrans-64.6-41.2174.3-68.2167000110.9K172 Y173 S467 S469 E475K172-I471 HydrophobicContact CB-CD1 4.49Å; K172-I471 HydrophobicContact CG-CG2 4.35Å; K172-I471 WeakPolarHBondContact O-CG2 3.29Å; Y173-I471 HydrophobicContact CD1-CG2 4.42Å; S467-I471 WeakPolarHBondContact O-CG1 3.05Å; S467-I471 PolarHBondContact O-N 3.2Å; S467-I471 VanDerWaalsContact O-N 3.15Å; S469-I471 VanDerWaalsContact C-N 3.31Å; S469-I471 PolarHBondContact O-N 2.94Å; I471-E475 WeakPolarHBondContact O-CB 3.3Å; I471-E475 PolarHBondContact O-N 3.05Å
472K66Low61.1Low92 Ų9281.2 Ų81.240%0.444%0.442SS..Hα-helixtrans-68.1-38.5175.5-70.3168.2-177177.80112.7L468 S469 E475 I476L468-K472 WeakPolarHBondContact O-CD 3.31Å; L468-K472 VanDerWaalsContact O-CG 3.27Å; L468-K472 WeakPolarHBondContact O-CG 3.22Å; L468-K472 PolarHBondContact O-N 2.73Å; S469-K472 CarbonylContact O-C 3.47Å; S469-K472 WeakPolarHBondContact O-CA 3.49Å; S469-K472 WeakPolarHBondContact O-CB 3.35Å; S469-K472 PolarHBondContact O-N 2.83Å; K472-E475 PolarHBondContact O-N 3.12Å; K472-I476 WeakPolarHBondContact O-CB 3.41Å; K472-I476 WeakPolarHBondContact O-CD1 3.38Å; K472-I476 WeakPolarHBondContact O-CG1 3.45Å; K472-I476 PolarHBondContact O-N 2.71Å
473E68.7Low62.9Low123 Ų12378 Ų7858%0.57543%0.425SS*.Hα-helixtrans-62.6-46.2175.6-72.2166.5179.600111S469 K470 I476 E477S469-E473 WeakPolarHBondContact O-CG 3.41Å; S469-E473 PolarHBondContact O-N 3.25Å; K470-E473 PolarHBondContact O-N 3.23Å; E473-I476 PolarHBondContact O-N 2.99Å; E473-E477 PolarHBondContact O-N 3.12Å
474I67.6Low65.2Low78 Ų7874 Ų7440%0.441%0.41SS..Hα-helixtrans-63.3-43.9175.1-71.9166.4000111.3Y173 K470 E477 M478Y173-I474 HydrophobicContact CE1-CG2 4.37Å; K470-I474 WeakPolarHBondContact O-CB 3.49Å; K470-I474 WeakPolarHBondContact O-CD1 3.36Å; K470-I474 VanDerWaalsContact O-CG1 3.23Å; K470-I474 WeakPolarHBondContact O-CG1 3.42Å; K470-I474 PolarHBondContact O-N 2.93Å; I474-E477 PolarHBondContact O-N 2.96Å; I474-M478 HydrophobicContact CG2-CG 4.42Å; I474-M478 HydrophobicContact CG2-SD 3.43Å; I474-M478 WeakPolarHBondContact CG2-SD 3.42Å; I474-M478 WeakPolarHBondContact O-CB 3.23Å; I474-M478 VanDerWaalsContact O-CG 3.23Å; I474-M478 WeakPolarHBondContact O-CG 3.47Å; I474-M478 PolarHBondContact O-N 3.19Å
475E67.6Low67.8Low11 Ų1168.6 Ų68.65%0.05138%0.381CS..Hα-helixtrans-59-45.2175.2171.7178-102.600112.1Y173 K174 I471 K472 M478 D479Y173-E475 HydrophobicContact CD1-CB 4.46Å; K174-E475 WeakPolarHBondContact CB-OE1 3.36Å; K174-E475 WeakPolarHBondContact CE-OE2 3.16Å; K174-E475 WeakPolarHBondContact CG-OE1 3.41Å; K174-E475 PolarHBondContact N-OE1 3.44Å; K174-E475 IonicContact NZ-OE2 3.12Å; K174-E475 PolarHBondContact NZ-OE2 3.15Å; I471-E475 WeakPolarHBondContact O-CB 3.3Å; I471-E475 PolarHBondContact O-N 3.05Å; K472-E475 PolarHBondContact O-N 3.12Å; E475-M478 PolarHBondContact O-N 2.9Å; E475-D479 PolarHBondContact O-N 3.39Å
476I65.8Low70.4Confident115 Ų11564.7 Ų64.759%0.5935%0.353SS*.Hα-helixtrans-66-42176.8-69.7163.3000111K472 E473 M478 A480K472-I476 WeakPolarHBondContact O-CB 3.41Å; K472-I476 WeakPolarHBondContact O-CD1 3.38Å; K472-I476 WeakPolarHBondContact O-CG1 3.45Å; K472-I476 PolarHBondContact O-N 2.71Å; E473-I476 PolarHBondContact O-N 2.99Å; I476-M478 VanDerWaalsContact C-N 3.34Å; I476-M478 PolarHBondContact O-N 2.67Å; I476-A480 WeakPolarHBondContact O-CB 3.16Å; I476-A480 PolarHBondContact O-N 2.82Å
477E66.3Low72.5Confident149 Ų14961.9 Ų61.970%0.69634%0.338SS*.Hα-helixtrans-64.7-37.3175.8-171.3176.2-165.200112E473 I474 A481E473-E477 PolarHBondContact O-N 3.12Å; I474-E477 PolarHBondContact O-N 2.96Å; E477-A481 WeakPolarHBondContact O-CB 3.44Å; E477-A481 PolarHBondContact O-N 2.75Å
478M65.6Low74.1Confident28 Ų2860.4 Ų60.414%0.13832%0.322CS..Hα-helixtrans-68.5-43.9177.8-78.216246.800113.1Y173 F289 P291 I474 E475 I476Y173-M478 HydrophobicContact CD1-CE 4.29Å; Y173-M478 HydrophobicContact CE1-CE 4Å; Y173-M478 HydrophobicContact CE1-SD 4.2Å; Y173-M478 HydrophobicContact CE2-CE 4.43Å; F289-M478 HydrophobicContact CD1-CE 3.75Å; F289-M478 HydrophobicContact CD2-CB 4.09Å; F289-M478 HydrophobicContact CD2-CE 3.73Å; F289-M478 HydrophobicContact CE1-CE 3.6Å; F289-M478 HydrophobicContact CE2-CB 4.08Å; F289-M478 HydrophobicContact CE2-CE 3.59Å; F289-M478 HydrophobicContact CG-CE 3.82Å; F289-M478 HydrophobicContact CZ-CE 3.52Å; F289-M478 WeakPolarHBondContact O-CE 3.31Å; P291-M478 HydrophobicContact CG-SD 4.35Å; I474-M478 HydrophobicContact CG2-CG 4.42Å; I474-M478 HydrophobicContact CG2-SD 3.43Å; I474-M478 WeakPolarHBondContact CG2-SD 3.42Å; I474-M478 WeakPolarHBondContact O-CB 3.23Å; I474-M478 VanDerWaalsContact O-CG 3.23Å; I474-M478 WeakPolarHBondContact O-CG 3.47Å; I474-M478 PolarHBondContact O-N 3.19Å; E475-M478 PolarHBondContact O-N 2.9Å; I476-M478 VanDerWaalsContact C-N 3.34Å; I476-M478 PolarHBondContact O-N 2.67Å
479D66.8Low75.9Confident24 Ų2456.2 Ų56.213%0.12830%0.3CS..Hα-helixtrans-74.3-44.8177.3-79.3-27.8000111.6R191 F289 E475 A481 D482 D483R191-D479 IonicContact CZ-OD1 2.71Å; R191-D479 IonicContact CZ-OD2 3.9Å; R191-D479 IonicContact NE-OD1 2.73Å; R191-D479 PolarHBondContact NE-OD1 2.98Å; R191-D479 IonicContact NE-OD2 2.65Å; R191-D479 IonicContact NH2-OD1 3.28Å; R191-D479 PolarHBondContact NH2-OD1 2.71Å; R191-D479 IonicContact NH2-OD2 3.91Å; R191-D479 PolarHBondContact NH2-OD2 3.43Å; F289-D479 VanDerWaalsContact CE2-OD1 3.31Å; F289-D479 WeakPolarHBondContact CE2-OD1 3.5Å; E475-D479 PolarHBondContact O-N 3.39Å; D479-A481 PolarHBondContact O-N 2.7Å; D479-D482 PolarHBondContact O-N 3.19Å; D479-D483 PolarHBondContact O-N 3.44Å
480A66.2Low77.5Confident71 Ų7155.8 Ų55.859%0.58729%0.293SS*.Hα-helixtrans-62.9-16.6-179.900000114.1I476 D482I476-A480 WeakPolarHBondContact O-CB 3.16Å; I476-A480 PolarHBondContact O-N 2.82Å; A480-D482 VanDerWaalsContact C-N 3.25Å; A480-D482 PolarHBondContact O-N 3.06Å
481A68.1Low78.8Confident68 Ų6855 Ų5556%0.56229%0.291SS*.THydrogen-bonded Turntrans-74.2-10.3173.800000114.1K285 E477 D479K285-A481 PolarHBondContact NZ-O 2.8Å; E477-A481 WeakPolarHBondContact O-CB 3.44Å; E477-A481 PolarHBondContact O-N 2.75Å; D479-A481 PolarHBondContact O-N 2.7Å
482D79.8Confident80.2Confident7 Ų753 Ų534%0.03728%0.28CS..THydrogen-bonded Turntrans-149.15.4-176.6-155.155000115.4R193 K285 Y287 D479 A480 D484 Y485R193-D482 IonicContact CZ-OD2 2.7Å; R193-D482 IonicContact NE-OD2 3.75Å; R193-D482 PolarHBondContact NE-OD2 3.02Å; R193-D482 VanDerWaalsContact NH2-CG 3.35Å; R193-D482 IonicContact NH2-OD1 3.54Å; R193-D482 PolarHBondContact NH2-OD1 3.16Å; R193-D482 VanDerWaalsContact NH2-OD1 3.12Å; R193-D482 IonicContact NH2-OD2 3.62Å; R193-D482 PolarHBondContact NH2-OD2 3.13Å; K285-D482 VanDerWaalsContact CD-OD1 3.28Å; K285-D482 WeakPolarHBondContact CD-OD1 3.47Å; K285-D482 WeakPolarHBondContact CE-OD1 3.26Å; K285-D482 IonicContact NZ-OD1 3.21Å; K285-D482 PolarHBondContact NZ-OD1 3.12Å; Y287-D482 HydrophobicContact CD2-CB 4.3Å; Y287-D482 WeakPolarHBondContact CD2-OD2 3.46Å; Y287-D482 HydrophobicContact CE2-CB 4.35Å; D479-D482 PolarHBondContact O-N 3.19Å; A480-D482 VanDerWaalsContact C-N 3.25Å; A480-D482 PolarHBondContact O-N 3.06Å; D482-D484 PolarHBondContact O-N 2.81Å; D482-Y485 WeakPolarHBondContact O-CB 3.45Å; D482-Y485 PolarHBondContact O-N 3.05Å; D482-Y485 VanDerWaalsContact O-N 3.09Å; D482-Y485 WeakPolarHBondContact OD1-CB 3.29Å
483D78.1Confident81.7Confident77 Ų7748.6 Ų48.641%0.41226%0.262SS..THydrogen-bonded Turntrans-51.5-50.4-172.1-15329.8000113.3P194 H195 D479 Y485P194-D483 VanDerWaalsContact CB-OD1 3.31Å; P194-D483 WeakPolarHBondContact CB-OD1 3.39Å; H195-D483 PolarHBondContact CD2-O 2.89Å; D479-D483 PolarHBondContact O-N 3.44Å; D483-Y485 VanDerWaalsContact C-N 3.32Å; D483-Y485 PolarHBondContact O-N 3.38Å
484D87.7Confident83.1Confident95 Ų9543.6 Ų43.651%0.50824%0.239SC..THydrogen-bonded Turntrans-77.4-10-177.774.8-15.3000114.8D482 L486 L487 R488D482-D484 PolarHBondContact O-N 2.81Å; D484-L486 PolarHBondContact O-N 2.92Å; D484-L487 WeakPolarHBondContact O-CB 3.28Å; D484-L487 PolarHBondContact O-N 3.44Å; D484-L487 VanDerWaalsContact O-N 3.1Å; D484-R488 PolarHBondContact O-N 2.86Å
485Y93.8Very high84.6Confident2 Ų243 Ų431%0.00823%0.232CC..Hα-helixtrans-67-39.9-161.2-176.3-98.5000113.5V284 K285 D482 D483 L487 R488 L489 Y713V284-Y485 HydrophobicContact CB-CE1 4.13Å; K285-Y485 HydrophobicContact CB-CD1 4.41Å; K285-Y485 HydrophobicContact CB-CD2 4.29Å; K285-Y485 HydrophobicContact CB-CE1 3.97Å; K285-Y485 HydrophobicContact CB-CE2 3.89Å; K285-Y485 HydrophobicContact CD-CD2 4.16Å; K285-Y485 HydrophobicContact CD-CE2 4.48Å; K285-Y485 HydrophobicContact CD-CG 4.42Å; K285-Y485 PolarHBondContact N-OH 3.12Å; D482-Y485 WeakPolarHBondContact O-CB 3.45Å; D482-Y485 PolarHBondContact O-N 3.05Å; D482-Y485 VanDerWaalsContact O-N 3.09Å; D482-Y485 WeakPolarHBondContact OD1-CB 3.29Å; D483-Y485 VanDerWaalsContact C-N 3.32Å; D483-Y485 PolarHBondContact O-N 3.38Å; Y485-L487 VanDerWaalsContact C-N 3.33Å; Y485-L487 PolarHBondContact O-N 3.47Å; Y485-R488 PolarHBondContact O-N 2.81Å; Y485-L489 PolarHBondContact O-N 3Å; Y485-Y713 PolarHBondContact OH-O 2.92Å
486L95Very high86Confident4 Ų442.5 Ų42.52%0.02123%0.229CC..Hα-helixtrans-70.8-27.8177.1-74.1-170.4000112.8R193 P194 L196 V199 D484 L489 Q490R193-L486 HydrophobicContact CB-CD1 3.84Å; R193-L486 HydrophobicContact CB-CG 4.47Å; R193-L486 HydrophobicContact CG-CD1 3.84Å; R193-L486 HydrophobicContact CG-CG 3.91Å; P194-L486 WeakPolarHBondContact O-CD1 3.21Å; L196-L486 HydrophobicContact CB-CD1 4.16Å; L196-L486 HydrophobicContact CD1-CD1 3.93Å; V199-L486 HydrophobicContact CG2-CB 4.04Å; D484-L486 PolarHBondContact O-N 2.92Å; L486-L489 HydrophobicContact CD2-CD2 3.9Å; L486-L489 PolarHBondContact O-N 3.05Å; L486-Q490 WeakPolarHBondContact O-CB 3.22Å; L486-Q490 PolarHBondContact O-N 2.85Å
487L95.5Very high87.6Confident39 Ų3937.7 Ų37.720%0.20420%0.204CC..Hα-helixtrans-67.4-39.4170.9-61.1175.9000110.7H195 K198 V199 D484 Y485 Q490 E491H195-L487 HydrophobicContact CB-CD2 4.02Å; H195-L487 HydrophobicContact CB-CG 4.16Å; H195-L487 WeakPolarHBondContact CD2-CD1 3.37Å; K198-L487 HydrophobicContact CD-CD2 4.07Å; V199-L487 HydrophobicContact CG2-CD2 3.93Å; D484-L487 WeakPolarHBondContact O-CB 3.28Å; D484-L487 PolarHBondContact O-N 3.44Å; D484-L487 VanDerWaalsContact O-N 3.1Å; Y485-L487 VanDerWaalsContact C-N 3.33Å; Y485-L487 PolarHBondContact O-N 3.47Å; L487-Q490 WeakPolarHBondContact O-CB 3.37Å; L487-Q490 PolarHBondContact O-N 2.73Å; L487-E491 PolarHBondContact O-N 3.36Å
488R94.7Very high89.1Confident37 Ų3735.7 Ų35.714%0.1419%0.19CC..Hα-helixtrans-66.1-40.3174.1-157.571.2-135.7-76.54.1112.5D484 Y485 Q490 E491 I492 H714 D716D484-R488 PolarHBondContact O-N 2.86Å; Y485-R488 PolarHBondContact O-N 2.81Å; R488-Q490 VanDerWaalsContact C-N 3.33Å; R488-E491 IonicContact CZ-OE1 3.56Å; R488-E491 IonicContact CZ-OE2 3.9Å; R488-E491 VanDerWaalsContact CZ-OE2 3.22Å; R488-E491 IonicContact NE-OE1 3.31Å; R488-E491 IonicContact NE-OE2 2.78Å; R488-E491 PolarHBondContact NE-OE2 3.46Å; R488-E491 IonicContact NH2-OE1 3.34Å; R488-E491 PolarHBondContact NH2-OE1 3.01Å; R488-E491 IonicContact NH2-OE2 2.78Å; R488-E491 PolarHBondContact NH2-OE2 3.2Å; R488-E491 PolarHBondContact O-N 3.02Å; R488-I492 WeakPolarHBondContact O-CG1 3.37Å; R488-I492 PolarHBondContact O-N 3.16Å; R488-I492 VanDerWaalsContact O-N 3.09Å; R488-H714 PolarHBondContact NH1-O 3.26Å; R488-D716 IonicContact CZ-OD1 3.35Å; R488-D716 IonicContact CZ-OD2 2.75Å; R488-D716 IonicContact NH1-OD1 3Å; R488-D716 PolarHBondContact NH1-OD1 2.85Å; R488-D716 VanDerWaalsContact NH1-OD1 3.16Å; R488-D716 IonicContact NH1-OD2 3.12Å; R488-D716 PolarHBondContact NH1-OD2 3.24Å; R488-D716 IonicContact NH2-OD1 2.7Å; R488-D716 PolarHBondContact NH2-OD1 3.44Å; R488-D716 IonicContact NH2-OD2 2.67Å; R488-D716 PolarHBondContact NH2-OD2 3.46Å
489L97.1Very high90.7Very high4 Ų436.7 Ų36.72%0.02120%0.196CC..Hα-helixtrans-64.8-37.6174.2-174.960.8000111.8I268 I282 V284 Y485 L486 I492 L493I268-L489 HydrophobicContact CD1-CD2 4.18Å; I268-L489 HydrophobicContact CG2-CD1 4.2Å; I268-L489 HydrophobicContact CG2-CD2 4.26Å; I282-L489 HydrophobicContact CG2-CD1 4.03Å; V284-L489 HydrophobicContact CG1-CD1 4.04Å; V284-L489 HydrophobicContact CG1-CD2 3.76Å; Y485-L489 PolarHBondContact O-N 3Å; L486-L489 HydrophobicContact CD2-CD2 3.9Å; L486-L489 PolarHBondContact O-N 3.05Å; L489-I492 PolarHBondContact O-N 3.25Å; L489-L493 HydrophobicContact CG-CD1 4.16Å; L489-L493 WeakPolarHBondContact O-CB 3.5Å; L489-L493 WeakPolarHBondContact O-CG 3.11Å; L489-L493 PolarHBondContact O-N 2.92Å
490Q97.8Very high92.2Very high31 Ų3135.5 Ų35.515%0.14519%0.19CC..Hα-helixtrans-59.3-47.4172.4-170.1-161.6-8600111.3V199 C202 L203 L486 L487 R488 I492 L493 L494V199-Q490 HydrophobicContact CG1-CB 4.07Å; V199-Q490 HydrophobicContact CG1-CG 4.34Å; V199-Q490 HydrophobicContact CG2-CB 4.29Å; C202-Q490 HydrophobicContact CB-CG 4.37Å; C202-Q490 VanDerWaalsContact SG-CD 3.55Å; L203-Q490 HydrophobicContact CD2-CG 4.18Å; L203-Q490 HydrophobicContact CG-CG 4.29Å; L486-Q490 WeakPolarHBondContact O-CB 3.22Å; L486-Q490 PolarHBondContact O-N 2.85Å; L487-Q490 WeakPolarHBondContact O-CB 3.37Å; L487-Q490 PolarHBondContact O-N 2.73Å; R488-Q490 VanDerWaalsContact C-N 3.33Å; Q490-I492 PolarHBondContact O-N 2.98Å; Q490-L493 PolarHBondContact O-N 3.49Å; Q490-L494 HydrophobicContact CG-CD1 4.06Å; Q490-L494 HydrophobicContact CG-CG 4.44Å; Q490-L494 WeakPolarHBondContact O-CB 3.33Å; Q490-L494 VanDerWaalsContact O-CG 3.27Å; Q490-L494 WeakPolarHBondContact O-CG 3.26Å; Q490-L494 PolarHBondContact O-N 3.42Å
491E97.1Very high93.7Very high55 Ų5532.3 Ų32.326%0.25716%0.163SC..Hα-helixtrans-58.5-45.3176-171.6-140111.300111.8L487 R488 L493 L494 R495L487-E491 PolarHBondContact O-N 3.36Å; R488-E491 IonicContact CZ-OE1 3.56Å; R488-E491 IonicContact CZ-OE2 3.9Å; R488-E491 VanDerWaalsContact CZ-OE2 3.22Å; R488-E491 IonicContact NE-OE1 3.31Å; R488-E491 IonicContact NE-OE2 2.78Å; R488-E491 PolarHBondContact NE-OE2 3.46Å; R488-E491 IonicContact NH2-OE1 3.34Å; R488-E491 PolarHBondContact NH2-OE1 3.01Å; R488-E491 IonicContact NH2-OE2 2.78Å; R488-E491 PolarHBondContact NH2-OE2 3.2Å; R488-E491 PolarHBondContact O-N 3.02Å; E491-L493 PolarHBondContact O-N 3.1Å; E491-L494 PolarHBondContact O-N 3.03Å; E491-R495 WeakPolarHBondContact O-CB 3.14Å; E491-R495 VanDerWaalsContact O-CG 3.26Å; E491-R495 WeakPolarHBondContact O-CG 3.42Å; E491-R495 PolarHBondContact O-N 2.9Å; E491-R495 WeakPolarHBondContact OE1-CD 3.49Å; E491-R495 IonicContact OE1-CZ 2.82Å; E491-R495 IonicContact OE1-NE 3.99Å; E491-R495 IonicContact OE1-NH1 3.8Å; E491-R495 PolarHBondContact OE1-NH1 2.89Å
492I98Very high95Very high2 Ų234.4 Ų34.41%0.0116%0.159CC..Hα-helixtrans-60.4-45.5177.7-68.5163.5000111I282 R488 L489 Q490 R495 I496 W715I282-I492 HydrophobicContact CD1-CG2 4.32Å; R488-I492 WeakPolarHBondContact O-CG1 3.37Å; R488-I492 PolarHBondContact O-N 3.16Å; R488-I492 VanDerWaalsContact O-N 3.09Å; L489-I492 PolarHBondContact O-N 3.25Å; Q490-I492 PolarHBondContact O-N 2.98Å; I492-R495 PolarHBondContact O-N 3.12Å; I492-I496 HydrophobicContact CG2-CD1 4Å; I492-I496 WeakPolarHBondContact O-CD1 3.36Å; I492-I496 VanDerWaalsContact O-CG1 3.3Å; I492-I496 WeakPolarHBondContact O-CG1 3.47Å; I492-I496 PolarHBondContact O-N 2.74Å; I492-W715 HydrophobicContact CD1-CB 3.98Å; I492-W715 HydrophobicContact CD1-CD2 4.35Å; I492-W715 HydrophobicContact CD1-CG 3.82Å; I492-W715 HydrophobicContact CG1-CB 4.22Å; I492-W715 HydrophobicContact CG1-CD2 4.4Å; I492-W715 HydrophobicContact CG1-CG 4.21Å; I492-W715 HydrophobicContact CG2-CD2 3.73Å; I492-W715 HydrophobicContact CG2-CE3 3.78Å; I492-W715 HydrophobicContact CG2-CG 4.34Å; I492-W715 HydrophobicContact CG2-CH2 3.95Å; I492-W715 HydrophobicContact CG2-CZ2 3.91Å; I492-W715 HydrophobicContact CG2-CZ3 3.87Å
493L98.6Very high95.8Very high1 Ų135.1 Ų35.11%0.00516%0.164CC..Hα-helixtrans-64.4-46.6177.3-74167.6000111.8L153 L203 Y207 I268 I282 L489 Q490 E491 R495 I496 H497L153-L493 HydrophobicContact CD1-CD1 4.5Å; L153-L493 HydrophobicContact CD1-CD2 3.88Å; L153-L493 HydrophobicContact CD2-CD1 4.04Å; L203-L493 HydrophobicContact CD1-CD1 3.66Å; L203-L493 HydrophobicContact CD2-CB 3.8Å; L203-L493 HydrophobicContact CD2-CD1 3.95Å; L203-L493 HydrophobicContact CG-CD1 4.5Å; Y207-L493 HydrophobicContact CE2-CB 4Å; Y207-L493 PolarHBondContact OH-O 3.17Å; I268-L493 HydrophobicContact CG2-CD2 4.48Å; I282-L493 HydrophobicContact CD1-CD2 3.65Å; I282-L493 HydrophobicContact CD1-CG 4.35Å; L489-L493 HydrophobicContact CG-CD1 4.16Å; L489-L493 WeakPolarHBondContact O-CB 3.5Å; L489-L493 WeakPolarHBondContact O-CG 3.11Å; L489-L493 PolarHBondContact O-N 2.92Å; Q490-L493 PolarHBondContact O-N 3.49Å; E491-L493 PolarHBondContact O-N 3.1Å; L493-R495 VanDerWaalsContact C-N 3.29Å; L493-R495 PolarHBondContact O-N 3Å; L493-I496 WeakPolarHBondContact O-CB 3.3Å; L493-I496 PolarHBondContact O-N 3.24Å; L493-I496 VanDerWaalsContact O-N 3.11Å; L493-H497 PolarHBondContact O-N 3.03Å
494L98.5Very high96.6Very high18 Ų1832.7 Ų32.79%0.09415%0.149CC..Hα-helixtrans-60.7-37.8175.1-67.8173.5000111.8Y206 Q490 E491 H497 R498Y206-L494 HydrophobicContact CD1-CD2 4.02Å; Y206-L494 HydrophobicContact CD2-CD2 3.35Å; Y206-L494 HydrophobicContact CE1-CD2 4.16Å; Y206-L494 HydrophobicContact CE2-CD2 3.53Å; Y206-L494 HydrophobicContact CG-CD2 3.62Å; Q490-L494 HydrophobicContact CG-CD1 4.06Å; Q490-L494 HydrophobicContact CG-CG 4.44Å; Q490-L494 WeakPolarHBondContact O-CB 3.33Å; Q490-L494 VanDerWaalsContact O-CG 3.27Å; Q490-L494 WeakPolarHBondContact O-CG 3.26Å; Q490-L494 PolarHBondContact O-N 3.42Å; E491-L494 PolarHBondContact O-N 3.03Å; L494-H497 PolarHBondContact O-N 2.83Å; L494-R498 WeakPolarHBondContact O-CB 3.49Å; L494-R498 WeakPolarHBondContact O-CG 3.29Å; L494-R498 PolarHBondContact O-N 2.9Å
495R98Very high96.9Very high66 Ų6630.5 Ų30.525%0.24914%0.137CC..Hα-helixtrans-65.3-38.5173.7-75.4167.665.7-170.8-0.6112.2E491 I492 L493 N499E491-R495 WeakPolarHBondContact O-CB 3.14Å; E491-R495 VanDerWaalsContact O-CG 3.26Å; E491-R495 WeakPolarHBondContact O-CG 3.42Å; E491-R495 PolarHBondContact O-N 2.9Å; E491-R495 WeakPolarHBondContact OE1-CD 3.49Å; E491-R495 IonicContact OE1-CZ 2.82Å; E491-R495 IonicContact OE1-NE 3.99Å; E491-R495 IonicContact OE1-NH1 3.8Å; E491-R495 PolarHBondContact OE1-NH1 2.89Å; I492-R495 PolarHBondContact O-N 3.12Å; L493-R495 VanDerWaalsContact C-N 3.29Å; L493-R495 PolarHBondContact O-N 3Å; R495-N499 WeakPolarHBondContact O-CB 3.46Å; R495-N499 PolarHBondContact O-N 3.41Å; R495-N499 PolarHBondContact O-ND2 3.23Å
496I98.6Very high96.8Very high0 Ų034.1 Ų34.10%016%0.156CC..Hα-helixtrans-64.7-48.3173.6-68.6159.3000110.5I282 I492 L493 N499 Y500 V566 I569 I570 L573 W715I282-I496 HydrophobicContact CD1-CD1 3.44Å; I282-I496 VanDerWaalsContact CD1-CD1 3.44Å; I282-I496 HydrophobicContact CG1-CD1 4.32Å; I492-I496 HydrophobicContact CG2-CD1 4Å; I492-I496 WeakPolarHBondContact O-CD1 3.36Å; I492-I496 VanDerWaalsContact O-CG1 3.3Å; I492-I496 WeakPolarHBondContact O-CG1 3.47Å; I492-I496 PolarHBondContact O-N 2.74Å; L493-I496 WeakPolarHBondContact O-CB 3.3Å; L493-I496 PolarHBondContact O-N 3.24Å; L493-I496 VanDerWaalsContact O-N 3.11Å; I496-N499 PolarHBondContact O-N 3.23Å; I496-Y500 WeakPolarHBondContact O-CB 3.46Å; I496-Y500 PolarHBondContact O-N 3.19Å; I496-V566 HydrophobicContact CG2-CG1 4.24Å; I496-I569 HydrophobicContact CG2-CG2 4.25Å; I496-I570 HydrophobicContact CD1-CG1 3.9Å; I496-I570 HydrophobicContact CG1-CG1 4.25Å; I496-I570 HydrophobicContact CG2-CG1 4.42Å; I496-L573 HydrophobicContact CB-CD1 4.49Å; I496-L573 HydrophobicContact CG1-CD1 3.75Å; I496-W715 HydrophobicContact CD1-CH2 3.75Å; I496-W715 HydrophobicContact CD1-CZ3 4.18Å; I496-W715 HydrophobicContact CG1-CH2 4.28Å; I496-W715 HydrophobicContact CG1-CZ3 4.29Å
497H98.7Very high96.6Very high14 Ų1436.6 Ų36.67%0.06517%0.165CC..Hα-helixtrans-57.7-54.7177.3177.4-72.6000111.9R149 L151 Y206 Y207 L493 L494 N499 Y500 F501R149-H497 PolarHBondContact O-CE1 2.88Å; R149-H497 PolarHBondContact O-NE2 2.87Å; L151-H497 HydrophobicContact CD1-CB 4.35Å; Y206-H497 AromaticContact CD1-CE1 3.65Å; Y206-H497 AromaticContact CD1-CG 3.98Å; Y206-H497 AromaticContact CD1-ND1 3.71Å; Y206-H497 AromaticContact CD1-NE2 3.86Å; Y206-H497 PolarHBondContact O-CD2 2.94Å; Y206-H497 VanDerWaalsContact O-CD2 3.24Å; Y207-H497 HydrophobicContact CE2-CB 4.23Å; L493-H497 PolarHBondContact O-N 3.03Å; L494-H497 PolarHBondContact O-N 2.83Å; H497-N499 VanDerWaalsContact C-N 3.3Å; H497-N499 PolarHBondContact O-N 2.77Å; H497-Y500 WeakPolarHBondContact O-CB 3.33Å; H497-Y500 PolarHBondContact O-N 3.26Å; H497-Y500 VanDerWaalsContact O-N 3.1Å; H497-F501 AromaticContact CD2-CD2 3.9Å; H497-F501 AromaticContact CD2-CE2 3.8Å; H497-F501 AromaticContact CE1-CD2 3.41Å; H497-F501 VanDerWaalsContact CE1-CD2 3.41Å; H497-F501 WeakPolarHBondContact CE1-CD2 3.19Å; H497-F501 AromaticContact CE1-CE2 3.84Å; H497-F501 AromaticContact ND1-CD2 3.85Å; H497-F501 AromaticContact NE2-CD2 3.45Å; H497-F501 WeakPolarHBondContact NE2-CD2 2.81Å; H497-F501 AromaticContact NE2-CE2 3.38Å; H497-F501 WeakPolarHBondContact NE2-CE2 3.49Å; H497-F501 PolarHBondContact O-N 3.25Å
498R98.3Very high96.2Very high107 Ų10740.1 Ų40.140%0.40418%0.181SC..Hα-helixtrans-54.3-44.3177.7-71.5170.5-177.7179.82.3111.6L494 K502 D975L494-R498 WeakPolarHBondContact O-CB 3.49Å; L494-R498 WeakPolarHBondContact O-CG 3.29Å; L494-R498 PolarHBondContact O-N 2.9Å; R498-K502 VanDerWaalsContact O-CB 3.3Å; R498-K502 WeakPolarHBondContact O-CB 3.42Å; R498-K502 PolarHBondContact O-N 3.03Å; R498-D975 IonicContact CZ-OD2 2.84Å; R498-D975 IonicContact NH1-OD2 2.98Å; R498-D975 PolarHBondContact NH1-OD2 3.35Å; R498-D975 IonicContact NH2-OD2 3.69Å; R498-D975 PolarHBondContact NH2-OD2 2.78Å
499N98.1Very high95.8Very high48 Ų4842.4 Ų42.426%0.25720%0.199SC..Hα-helixtrans-71.7-36.3178.3-84.5-95.9000113R495 I496 H497 T503 I569R495-N499 WeakPolarHBondContact O-CB 3.46Å; R495-N499 PolarHBondContact O-N 3.41Å; R495-N499 PolarHBondContact O-ND2 3.23Å; I496-N499 PolarHBondContact O-N 3.23Å; H497-N499 VanDerWaalsContact C-N 3.3Å; H497-N499 PolarHBondContact O-N 2.77Å; N499-T503 WeakPolarHBondContact O-CB 3.34Å; N499-T503 PolarHBondContact O-N 3.25Å; N499-T503 PolarHBondContact O-OG1 2.93Å; N499-I569 HydrophobicContact CB-CG2 3.56Å
500Y98.2Very high94.8Very high0 Ų043.8 Ų43.80%021%0.214CC..Hα-helixtrans-61.1-52.2175.4-175.8-85.7000110.3L146 L151 N263 L264 I496 H497 T503 Y504 L563 P564 V566 I569L146-Y500 HydrophobicContact CD2-CE1 4.45Å; L151-Y500 HydrophobicContact CD1-CG 4.34Å; L151-Y500 HydrophobicContact CD2-CD1 3.68Å; L151-Y500 HydrophobicContact CD2-CD2 4.3Å; L151-Y500 HydrophobicContact CD2-CE1 3.89Å; L151-Y500 HydrophobicContact CD2-CE2 4.47Å; L151-Y500 HydrophobicContact CD2-CG 3.92Å; N263-Y500 WeakPolarHBondContact O-CE2 3.41Å; L264-Y500 HydrophobicContact CD2-CE1 3.74Å; L264-Y500 WeakPolarHBondContact CD2-OH 3.48Å; I496-Y500 WeakPolarHBondContact O-CB 3.46Å; I496-Y500 PolarHBondContact O-N 3.19Å; H497-Y500 WeakPolarHBondContact O-CB 3.33Å; H497-Y500 PolarHBondContact O-N 3.26Å; H497-Y500 VanDerWaalsContact O-N 3.1Å; Y500-T503 CarbonylContact O-C 3.36Å; Y500-T503 WeakPolarHBondContact O-CA 3.41Å; Y500-T503 WeakPolarHBondContact O-CB 3.21Å; Y500-T503 PolarHBondContact O-N 3.26Å; Y500-Y504 PolarHBondContact O-N 2.81Å; Y500-L563 WeakPolarHBondContact OH-CD2 3.27Å; Y500-L563 WeakPolarHBondContact OH-CG 3.33Å; Y500-P564 HydrophobicContact CE2-CB 4.07Å; Y500-P564 WeakPolarHBondContact CE2-O 3.39Å; Y500-P564 PolarHBondContact OH-O 3.07Å; Y500-V566 HydrophobicContact CD2-CB 4.49Å; Y500-V566 HydrophobicContact CD2-CG2 3.61Å; Y500-V566 HydrophobicContact CE2-CG2 3.86Å; Y500-V566 HydrophobicContact CG-CG2 4.37Å; Y500-I569 HydrophobicContact CD2-CG1 4.1Å
501F97.9Very high93.1Very high4 Ų448.5 Ų48.52%0.01824%0.236CC..Hα-helixtrans-69.6-38.9-178.4-79.6-76.2000112.8L146 R149 L151 H497 T503 Y504 D505L146-F501 HydrophobicContact CD2-CE1 4.16Å; L146-F501 HydrophobicContact CD2-CZ 4.49Å; R149-F501 VanDerWaalsContact CA-CZ 3.5Å; R149-F501 HydrophobicContact CB-CD1 4.29Å; R149-F501 HydrophobicContact CB-CE1 4.02Å; R149-F501 HydrophobicContact CB-CZ 4.14Å; R149-F501 HydrophobicContact CG-CD1 4.26Å; R149-F501 HydrophobicContact CG-CE1 4.13Å; R149-F501 WeakPolarHBondContact O-CE2 3.19Å; L151-F501 HydrophobicContact CD2-CE2 4.2Å; L151-F501 HydrophobicContact CG-CE2 4.09Å; H497-F501 AromaticContact CD2-CD2 3.9Å; H497-F501 AromaticContact CD2-CE2 3.8Å; H497-F501 AromaticContact CE1-CD2 3.41Å; H497-F501 VanDerWaalsContact CE1-CD2 3.41Å; H497-F501 WeakPolarHBondContact CE1-CD2 3.19Å; H497-F501 AromaticContact CE1-CE2 3.84Å; H497-F501 AromaticContact ND1-CD2 3.85Å; H497-F501 AromaticContact NE2-CD2 3.45Å; H497-F501 WeakPolarHBondContact NE2-CD2 2.81Å; H497-F501 AromaticContact NE2-CE2 3.38Å; H497-F501 WeakPolarHBondContact NE2-CE2 3.49Å; H497-F501 PolarHBondContact O-N 3.25Å; F501-T503 PolarHBondContact O-N 2.96Å; F501-T503 VanDerWaalsContact O-N 3.1Å; F501-Y504 AromaticContact CD1-CD1 3.94Å; F501-Y504 HydrophobicContact CD1-CD1 3.94Å; F501-Y504 HydrophobicContact CD1-CG 4.46Å; F501-Y504 HydrophobicContact CE1-CD1 4.15Å; F501-Y504 PolarHBondContact O-N 3.08Å; F501-D505 PolarHBondContact O-N 2.88Å; F501-D505 VanDerWaalsContact O-OD2 3.13Å
502K96.3Very high91.3Very high112 Ų11248.6 Ų48.649%0.48723%0.234SC..Hα-helixtrans-55.3-30.2168.1-173.6169.3-177.4167.90112.4R498 L506 E971R498-K502 VanDerWaalsContact O-CB 3.3Å; R498-K502 WeakPolarHBondContact O-CB 3.42Å; R498-K502 PolarHBondContact O-N 3.03Å; K502-L506 WeakPolarHBondContact O-CD1 3.18Å; K502-L506 VanDerWaalsContact O-CG 3.29Å; K502-L506 WeakPolarHBondContact O-CG 3.41Å; K502-E971 IonicContact NZ-OE1 3.17Å; K502-E971 IonicContact NZ-OE2 2.7Å; K502-E971 PolarHBondContact NZ-OE2 2.79Å
503T95.3Very high89Confident22 Ų2252.4 Ų52.414%0.13525%0.252CS..Hα-helixtrans-82.7-35175.6-52.50000112.8N499 Y500 F501 W507 Y512 P564 I569N499-T503 WeakPolarHBondContact O-CB 3.34Å; N499-T503 PolarHBondContact O-N 3.25Å; N499-T503 PolarHBondContact O-OG1 2.93Å; Y500-T503 CarbonylContact O-C 3.36Å; Y500-T503 WeakPolarHBondContact O-CA 3.41Å; Y500-T503 WeakPolarHBondContact O-CB 3.21Å; Y500-T503 PolarHBondContact O-N 3.26Å; F501-T503 PolarHBondContact O-N 2.96Å; F501-T503 VanDerWaalsContact O-N 3.1Å; T503-W507 WeakPolarHBondContact O-CB 3.42Å; T503-W507 PolarHBondContact O-N 2.81Å; T503-Y512 HydrophobicContact CG2-CD2 4.06Å; T503-Y512 HydrophobicContact CG2-CE2 3.52Å; T503-P564 HydrophobicContact CG2-CB 4.01Å; T503-P564 HydrophobicContact CG2-CG 4.01Å; T503-I569 HydrophobicContact CG2-CD1 4.41Å
504Y95.5Very high86.5Confident25 Ų2560.6 Ų60.610%0.09829%0.29CS..Hα-helixtrans-66.8-42.6174.8178-111.4000112.5L146 Y500 F501 L506 W507 Q508 L563L146-Y504 HydrophobicContact CD1-CE2 4.1Å; L146-Y504 HydrophobicContact CD2-CD1 4.39Å; L146-Y504 HydrophobicContact CD2-CD2 4.1Å; L146-Y504 HydrophobicContact CD2-CE1 4.07Å; L146-Y504 HydrophobicContact CD2-CE2 3.79Å; L146-Y504 HydrophobicContact CD2-CG 4.38Å; Y500-Y504 PolarHBondContact O-N 2.81Å; F501-Y504 AromaticContact CD1-CD1 3.94Å; F501-Y504 HydrophobicContact CD1-CD1 3.94Å; F501-Y504 HydrophobicContact CD1-CG 4.46Å; F501-Y504 HydrophobicContact CE1-CD1 4.15Å; F501-Y504 PolarHBondContact O-N 3.08Å; Y504-L506 VanDerWaalsContact C-N 3.32Å; Y504-L506 PolarHBondContact O-N 3.41Å; Y504-W507 AromaticContact CD2-CE3 3.74Å; Y504-W507 HydrophobicContact CD2-CE3 3.74Å; Y504-W507 HydrophobicContact CD2-CZ3 4.18Å; Y504-W507 AromaticContact CE2-CE3 3.6Å; Y504-W507 HydrophobicContact CE2-CE3 3.6Å; Y504-W507 AromaticContact CE2-CZ3 3.57Å; Y504-W507 HydrophobicContact CE2-CZ3 3.57Å; Y504-W507 CarbonylContact O-C 3.5Å; Y504-W507 WeakPolarHBondContact O-CA 3.33Å; Y504-W507 WeakPolarHBondContact O-CB 3.31Å; Y504-W507 PolarHBondContact O-N 2.92Å; Y504-Q508 HydrophobicContact CD1-CG 4.31Å; Y504-Q508 HydrophobicContact CD2-CG 4.47Å; Y504-Q508 VanDerWaalsContact CE1-CD 3.45Å; Y504-Q508 HydrophobicContact CE1-CG 3.9Å; Y504-Q508 HydrophobicContact CE2-CG 4.05Å; Y504-Q508 VanDerWaalsContact CZ-NE2 3.25Å; Y504-Q508 PolarHBondContact O-N 2.84Å; Y504-Q508 PolarHBondContact OH-NE2 3.17Å; Y504-L563 HydrophobicContact CD2-CD1 3.47Å; Y504-L563 VanDerWaalsContact CD2-CD1 3.47Å; Y504-L563 HydrophobicContact CE2-CD1 3.32Å
505D94.8Very high84.2Confident49 Ų4964.8 Ų64.826%0.26231%0.309SS..Hα-helixtrans-66.9-36.4179.3-54-24.5000110.6R149 F501 W507 T509R149-D505 IonicContact CZ-OD1 3.82Å; R149-D505 IonicContact CZ-OD2 3.86Å; R149-D505 IonicContact NH1-OD1 2.67Å; R149-D505 PolarHBondContact NH1-OD1 2.9Å; R149-D505 IonicContact NH1-OD2 3.2Å; R149-D505 IonicContact NH2-OD1 3.64Å; R149-D505 PolarHBondContact NH2-OD1 3.17Å; R149-D505 IonicContact NH2-OD2 2.95Å; R149-D505 PolarHBondContact NH2-OD2 3.32Å; F501-D505 PolarHBondContact O-N 2.88Å; F501-D505 VanDerWaalsContact O-OD2 3.13Å; D505-W507 VanDerWaalsContact C-N 3.29Å; D505-W507 PolarHBondContact O-N 3.45Å; D505-T509 WeakPolarHBondContact O-CB 3.41Å; D505-T509 WeakPolarHBondContact O-CG2 3.5Å; D505-T509 PolarHBondContact O-N 3.48Å; D505-T509 VanDerWaalsContact O-N 3.12Å; D505-T509 PolarHBondContact O-OG1 2.82Å
506L91.6Very high82Confident78 Ų7865.3 Ų65.341%0.40831%0.314SS..Hα-helixtrans-69-24.6170.2-73.8173000113.5K502 Y504 T509 H511 Y512K502-L506 WeakPolarHBondContact O-CD1 3.18Å; K502-L506 VanDerWaalsContact O-CG 3.29Å; K502-L506 WeakPolarHBondContact O-CG 3.41Å; Y504-L506 VanDerWaalsContact C-N 3.32Å; Y504-L506 PolarHBondContact O-N 3.41Å; L506-T509 WeakPolarHBondContact CA-OG1 3.42Å; L506-T509 PolarHBondContact O-OG1 2.95Å; L506-H511 HydrophobicContact CD2-CB 4.22Å; L506-H511 PolarHBondContact O-N 3.34Å; L506-H511 VanDerWaalsContact O-N 3.13Å; L506-Y512 PolarHBondContact O-N 3.36Å
507W90.2Very high79.3Confident56 Ų5670.7 Ų70.721%0.21234%0.339CS..Hα-helixtrans-80.2-46.4175.8170.889.9000111T503 Y504 D505 T509 G510 P560 H562 L563 P564T503-W507 WeakPolarHBondContact O-CB 3.42Å; T503-W507 PolarHBondContact O-N 2.81Å; Y504-W507 AromaticContact CD2-CE3 3.74Å; Y504-W507 HydrophobicContact CD2-CE3 3.74Å; Y504-W507 HydrophobicContact CD2-CZ3 4.18Å; Y504-W507 AromaticContact CE2-CE3 3.6Å; Y504-W507 HydrophobicContact CE2-CE3 3.6Å; Y504-W507 AromaticContact CE2-CZ3 3.57Å; Y504-W507 HydrophobicContact CE2-CZ3 3.57Å; Y504-W507 CarbonylContact O-C 3.5Å; Y504-W507 WeakPolarHBondContact O-CA 3.33Å; Y504-W507 WeakPolarHBondContact O-CB 3.31Å; Y504-W507 PolarHBondContact O-N 2.92Å; D505-W507 VanDerWaalsContact C-N 3.29Å; D505-W507 PolarHBondContact O-N 3.45Å; W507-T509 VanDerWaalsContact C-N 3.3Å; W507-T509 PolarHBondContact O-N 3.48Å; W507-G510 PolarHBondContact O-N 3.24Å; W507-P560 PolarHBondContact NE1-O 3.37Å; W507-H562 PolarHBondContact NE1-O 2.82Å; W507-H562 VanDerWaalsContact NE1-O 3.09Å; W507-L563 HydrophobicContact CE3-CD1 4.33Å; W507-L563 HydrophobicContact CH2-CD1 4.39Å; W507-L563 HydrophobicContact CZ3-CD1 4.13Å; W507-P564 HydrophobicContact CB-CG 3.95Å; W507-P564 HydrophobicContact CG-CG 4.17Å
508Q87.2Confident76.6Confident114 Ų11476 Ų7653%0.53336%0.364SS..Hα-helixtrans-56.6-42.8173.8-73.7-172.5-32.800112Y504 G510Y504-Q508 HydrophobicContact CD1-CG 4.31Å; Y504-Q508 HydrophobicContact CD2-CG 4.47Å; Y504-Q508 VanDerWaalsContact CE1-CD 3.45Å; Y504-Q508 HydrophobicContact CE1-CG 3.9Å; Y504-Q508 HydrophobicContact CE2-CG 4.05Å; Y504-Q508 VanDerWaalsContact CZ-NE2 3.25Å; Y504-Q508 PolarHBondContact O-N 2.84Å; Y504-Q508 PolarHBondContact OH-NE2 3.17Å; Q508-G510 PolarHBondContact O-N 3.28Å
509T86Confident74.2Confident85 Ų8574.6 Ų74.652%0.52136%0.361SS..THydrogen-bonded Turntrans-78.24.9179.256.20000113.7D505 L506 W507 H511D505-T509 WeakPolarHBondContact O-CB 3.41Å; D505-T509 WeakPolarHBondContact O-CG2 3.5Å; D505-T509 PolarHBondContact O-N 3.48Å; D505-T509 VanDerWaalsContact O-N 3.12Å; D505-T509 PolarHBondContact O-OG1 2.82Å; L506-T509 WeakPolarHBondContact CA-OG1 3.42Å; L506-T509 PolarHBondContact O-OG1 2.95Å; W507-T509 VanDerWaalsContact C-N 3.3Å; W507-T509 PolarHBondContact O-N 3.48Å; T509-H511 PolarHBondContact O-N 2.86Å; T509-H511 PolarHBondContact O-ND1 2.82Å
510G75.9Confident71.8Confident33 Ų3375.5 Ų75.534%0.3437%0.368SS..SBendtrans70.2-9.4-178.900000115.9W507 Q508 Y512W507-G510 PolarHBondContact O-N 3.24Å; Q508-G510 PolarHBondContact O-N 3.28Å; G510-Y512 PolarHBondContact O-N 2.8Å
511H62.5Low69Low129 Ų12977.6 Ų77.660%0.59738%0.381SS*.THydrogen-bonded Turntrans-68-19-173.5-77.566.7000113.6L506 T509 H513 H514L506-H511 HydrophobicContact CD2-CB 4.22Å; L506-H511 PolarHBondContact O-N 3.34Å; L506-H511 VanDerWaalsContact O-N 3.13Å; T509-H511 PolarHBondContact O-N 2.86Å; T509-H511 PolarHBondContact O-ND1 2.82Å; H511-H513 PolarHBondContact O-N 2.79Å; H511-H513 VanDerWaalsContact O-N 3.14Å; H511-H514 PolarHBondContact O-N 3.01Å
512Y58.4Low66.4Low58 Ų5881.2 Ų81.223%0.22740%0.4CS..Hα-helixtrans-49.9-38.1179.4-170.6-106.3000114.2T503 L506 G510 H514 H515 H516 P560T503-Y512 HydrophobicContact CG2-CD2 4.06Å; T503-Y512 HydrophobicContact CG2-CE2 3.52Å; L506-Y512 PolarHBondContact O-N 3.36Å; G510-Y512 PolarHBondContact O-N 2.8Å; Y512-H514 PolarHBondContact O-N 2.98Å; Y512-H515 PolarHBondContact O-N 2.84Å; Y512-H516 HydrophobicContact CE1-CB 4.29Å; Y512-H516 AromaticContact CZ-CD2 3.61Å; Y512-H516 PolarHBondContact O-N 2.84Å; Y512-H516 PolarHBondContact OH-CD2 3.13Å; Y512-H516 VanDerWaalsContact OH-CD2 3.23Å; Y512-P560 HydrophobicContact CD1-CB 4.3Å; Y512-P560 HydrophobicContact CD1-CG 3.82Å; Y512-P560 HydrophobicContact CG-CG 4.5Å
513H50.8Low63.8Low82 Ų8283 Ų8338%0.3841%0.412SS..Hα-helixtrans-64.8-41.1-177.8-94.9-61.6000113.6H511 H515 H517 D558 P560H511-H513 PolarHBondContact O-N 2.79Å; H511-H513 VanDerWaalsContact O-N 3.14Å; H513-H515 VanDerWaalsContact C-N 3.3Å; H513-H515 PolarHBondContact O-N 3.36Å; H513-H517 AromaticContact CE1-CD2 3.8Å; H513-H517 VanDerWaalsContact O-CB 3.23Å; H513-H517 WeakPolarHBondContact O-CB 3.47Å; H513-H517 PolarHBondContact O-N 3Å; H513-D558 PolarHBondContact CD2-O 2.92Å; H513-P560 VanDerWaalsContact CD2-CD 3.49Å; H513-P560 WeakPolarHBondContact CD2-CD 3.37Å; H513-P560 VanDerWaalsContact CD2-CG 3.47Å; H513-P560 WeakPolarHBondContact CD2-CG 3.49Å
514H46.7Very low61.3Low172 Ų17284.3 Ų84.380%0.79642%0.421SS*.Hα-helixtrans-62.3-39179.9-102.716.4000111.8H511 Y512 H518H511-H514 PolarHBondContact O-N 3.01Å; Y512-H514 PolarHBondContact O-N 2.98Å; H514-H518 WeakPolarHBondContact O-CB 3.29Å
515H50.1Low58.7Low107 Ų10789 Ų8950%0.49544%0.441SS..Hα-helixtrans-77.4-45.1-179.4-127.2-58.9000112.9Y512 H513 Q519 F969Y512-H515 PolarHBondContact O-N 2.84Å; H513-H515 VanDerWaalsContact C-N 3.3Å; H513-H515 PolarHBondContact O-N 3.36Å; H515-Q519 PolarHBondContact O-N 3.15Å; H515-F969 AromaticContact CE1-CE2 3.65Å; H515-F969 AromaticContact CE1-CZ 3.52Å; H515-F969 AromaticContact ND1-CE2 3.98Å; H515-F969 AromaticContact ND1-CZ 3.65Å
516H51.5Low56.1Low76 Ų7690.1 Ų90.135%0.35246%0.457SS..Hα-helixtrans-77.3-37.2-173.2-150.6-56.6000112.6Y512 H518 Q519 T520Y512-H516 HydrophobicContact CE1-CB 4.29Å; Y512-H516 AromaticContact CZ-CD2 3.61Å; Y512-H516 PolarHBondContact O-N 2.84Å; Y512-H516 PolarHBondContact OH-CD2 3.13Å; Y512-H516 VanDerWaalsContact OH-CD2 3.23Å; H516-H518 VanDerWaalsContact C-N 3.3Å; H516-H518 PolarHBondContact O-N 2.79Å; H516-Q519 PolarHBondContact O-N 3.28Å; H516-T520 PolarHBondContact ND1-OG1 3.49Å; H516-T520 PolarHBondContact O-N 2.87Å; H516-T520 PolarHBondContact O-OG1 2.88Å
517H42.5Very low53.7Low114 Ų11490 Ų9053%0.52846%0.464SS..Hα-helixtrans-67.2-35.3178.3-145.3-51.1000111.2H513 T521H513-H517 AromaticContact CE1-CD2 3.8Å; H513-H517 VanDerWaalsContact O-CB 3.23Å; H513-H517 WeakPolarHBondContact O-CB 3.47Å; H513-H517 PolarHBondContact O-N 3Å; H517-T521 PolarHBondContact ND1-OG1 3.15Å; H517-T521 VanDerWaalsContact O-CB 3.24Å; H517-T521 WeakPolarHBondContact O-CB 3.37Å; H517-T521 PolarHBondContact O-N 2.79Å; H517-T521 PolarHBondContact O-OG1 3.26Å
518H41.1Very low51.3Low126 Ų12693.7 Ų93.758%0.58348%0.483SS*.Hα-helixtrans-68.1-36.1176.1-153.5-50.1000112.4H514 H516 L522H514-H518 WeakPolarHBondContact O-CB 3.29Å; H516-H518 VanDerWaalsContact C-N 3.3Å; H516-H518 PolarHBondContact O-N 2.79Å; H518-L522 WeakPolarHBondContact ND1-CD1 3.46Å; H518-L522 WeakPolarHBondContact O-CB 3.4Å; H518-L522 WeakPolarHBondContact O-CD1 3.2Å; H518-L522 VanDerWaalsContact O-CG 3.22Å; H518-L522 WeakPolarHBondContact O-CG 3.41Å; H518-L522 PolarHBondContact O-N 2.97Å; H518-L522 VanDerWaalsContact O-N 3.14Å
519Q47.7Very low48.9Very low77 Ų7794.3 Ų94.336%0.3649%0.49SS..Hα-helixtrans-69.3-48.1172.3-76.5-169.1-24.800112.4H515 H516 T521 L522 M523H515-Q519 PolarHBondContact O-N 3.15Å; H516-Q519 PolarHBondContact O-N 3.28Å; Q519-T521 PolarHBondContact O-N 3.22Å; Q519-L522 PolarHBondContact O-N 2.83Å; Q519-M523 WeakPolarHBondContact O-CB 3.3Å; Q519-M523 WeakPolarHBondContact O-CG 3.35Å; Q519-M523 PolarHBondContact O-N 2.79Å
520T47.1Very low46.7Very low66 Ų6696.8 Ų96.841%0.40549%0.493SS..Hα-helixtrans-61.8-44.3179.6-59.10000111.2H516 L522 M523 T524H516-T520 PolarHBondContact ND1-OG1 3.49Å; H516-T520 PolarHBondContact O-N 2.87Å; H516-T520 PolarHBondContact O-OG1 2.88Å; T520-L522 PolarHBondContact O-N 2.84Å; T520-M523 PolarHBondContact O-N 2.83Å; T520-T524 HydrophobicContact CG2-CG2 4.45Å; T520-T524 WeakPolarHBondContact O-CG2 3.36Å; T520-T524 PolarHBondContact O-N 3.04Å; T520-T524 PolarHBondContact O-OG1 3.49Å
521T41.1Very low44.7Very low44 Ų44105.8 Ų105.827%0.2752%0.519SS..Hα-helixtrans-69.2-30178.3-61.60000113.4H517 Q519 T524 K525H517-T521 PolarHBondContact ND1-OG1 3.15Å; H517-T521 VanDerWaalsContact O-CB 3.24Å; H517-T521 WeakPolarHBondContact O-CB 3.37Å; H517-T521 PolarHBondContact O-N 2.79Å; H517-T521 PolarHBondContact O-OG1 3.26Å; Q519-T521 PolarHBondContact O-N 3.22Å; T521-T524 PolarHBondContact O-OG1 2.75Å; T521-K525 HydrophobicContact CG2-CD 3.9Å; T521-K525 HydrophobicContact CG2-CG 4.46Å; T521-K525 VanDerWaalsContact O-CB 3.3Å; T521-K525 WeakPolarHBondContact O-CB 3.2Å; T521-K525 VanDerWaalsContact O-CG 3.26Å; T521-K525 WeakPolarHBondContact O-CG 3.34Å; T521-K525 PolarHBondContact O-N 2.85Å
522L42.1Very low43.1Very low80 Ų80104.8 Ų104.842%0.41953%0.526SS..Hα-helixtrans-70.6-39.8170.4-77.1172.5000111.7H518 Q519 T520 A526 L965H518-L522 WeakPolarHBondContact ND1-CD1 3.46Å; H518-L522 WeakPolarHBondContact O-CB 3.4Å; H518-L522 WeakPolarHBondContact O-CD1 3.2Å; H518-L522 VanDerWaalsContact O-CG 3.22Å; H518-L522 WeakPolarHBondContact O-CG 3.41Å; H518-L522 PolarHBondContact O-N 2.97Å; H518-L522 VanDerWaalsContact O-N 3.14Å; Q519-L522 PolarHBondContact O-N 2.83Å; T520-L522 PolarHBondContact O-N 2.84Å; L522-A526 VanDerWaalsContact O-CB 3.22Å; L522-A526 WeakPolarHBondContact O-CB 3.43Å; L522-A526 PolarHBondContact O-N 2.69Å; L522-L965 HydrophobicContact CD1-CD1 4.2Å
523M41.9Very low42Very low149 Ų149108.3 Ų108.373%0.73455%0.549SS*.Hα-helixtrans-66.8-45.8177.2-72.9-107.5162.500112.2Q519 T520 A526 S527Q519-M523 WeakPolarHBondContact O-CB 3.3Å; Q519-M523 WeakPolarHBondContact O-CG 3.35Å; Q519-M523 PolarHBondContact O-N 2.79Å; T520-M523 PolarHBondContact O-N 2.83Å; M523-A526 PolarHBondContact O-N 2.82Å; M523-S527 PolarHBondContact O-N 3.47Å; M523-S527 PolarHBondContact O-OG 3.37Å
524T43.5Very low41.3Very low51 Ų51112.1 Ų112.131%0.31357%0.567SS.*Hα-helixtrans-64.3-48.2177.859.70000111.4T520 T521 A526 S527 E528T520-T524 HydrophobicContact CG2-CG2 4.45Å; T520-T524 WeakPolarHBondContact O-CG2 3.36Å; T520-T524 PolarHBondContact O-N 3.04Å; T520-T524 PolarHBondContact O-OG1 3.49Å; T521-T524 PolarHBondContact O-OG1 2.75Å; T524-A526 PolarHBondContact O-N 3.13Å; T524-S527 WeakPolarHBondContact CA-OG 3.37Å; T524-S527 CarbonylContact O-C 3.6Å; T524-S527 PolarHBondContact O-N 2.86Å; T524-S527 PolarHBondContact O-OG 2.65Å; T524-E528 WeakPolarHBondContact O-CB 3.48Å; T524-E528 VanDerWaalsContact O-CG 3.24Å; T524-E528 WeakPolarHBondContact O-CG 3.35Å; T524-E528 PolarHBondContact O-N 3.49Å
525K41.1Very low40.7Very low123 Ų123108.7 Ų108.754%0.53556%0.562SS.*Hα-helixtrans-62.7-25.4176.7-70.7176.5179.41740113.4T521 N529T521-K525 HydrophobicContact CG2-CD 3.9Å; T521-K525 HydrophobicContact CG2-CG 4.46Å; T521-K525 VanDerWaalsContact O-CB 3.3Å; T521-K525 WeakPolarHBondContact O-CB 3.2Å; T521-K525 VanDerWaalsContact O-CG 3.26Å; T521-K525 WeakPolarHBondContact O-CG 3.34Å; T521-K525 PolarHBondContact O-N 2.85Å; K525-N529 PolarHBondContact O-ND2 3.03Å
526A38.9Very low39.9Very low72 Ų72109.3 Ų109.360%0.59557%0.573SS**Hα-helixtrans-77.5-32.2172.200000113.1L522 M523 T524L522-A526 VanDerWaalsContact O-CB 3.22Å; L522-A526 WeakPolarHBondContact O-CB 3.43Å; L522-A526 PolarHBondContact O-N 2.69Å; M523-A526 PolarHBondContact O-N 2.82Å; T524-A526 PolarHBondContact O-N 3.13Å
527S40.8Very low38.9Very low77 Ų77113.2 Ų113.254%0.53860%0.597SS.*Hα-helixtrans-80.6-35.717452.70000114M523 T524 N529 K530M523-S527 PolarHBondContact O-N 3.47Å; M523-S527 PolarHBondContact O-OG 3.37Å; T524-S527 WeakPolarHBondContact CA-OG 3.37Å; T524-S527 CarbonylContact O-C 3.6Å; T524-S527 PolarHBondContact O-N 2.86Å; T524-S527 PolarHBondContact O-OG 2.65Å; S527-N529 VanDerWaalsContact C-N 3.35Å; S527-N529 PolarHBondContact O-N 3.22Å; S527-K530 PolarHBondContact O-N 2.94Å
528E40.5Very low38.4Very low133 Ų133113.4 Ų113.462%0.62161%0.611SS**Hα-helixtrans-74.5-24.1-175.6-71.5161.2175.300112.7T524 K530T524-E528 WeakPolarHBondContact O-CB 3.48Å; T524-E528 VanDerWaalsContact O-CG 3.24Å; T524-E528 WeakPolarHBondContact O-CG 3.35Å; T524-E528 PolarHBondContact O-N 3.49Å; E528-K530 PolarHBondContact O-N 3.02Å
529N37.9Very low37.9Very low126 Ų126113.1 Ų113.167%0.67462%0.623SS**THydrogen-bonded Turntrans-82.718.9176.4-81-70.5000114.3K525 S527K525-N529 PolarHBondContact O-ND2 3.03Å; S527-N529 VanDerWaalsContact C-N 3.35Å; S527-N529 PolarHBondContact O-N 3.22Å
530K39.4Very low37.1Very low137 Ų137116.7 Ų116.760%0.59664%0.643SS**SBendtrans-139.7131.9165-69.8-175177.5172.90109.9S527 E528S527-K530 PolarHBondContact O-N 2.94Å; E528-K530 PolarHBondContact O-N 3.02Å
531Y32.8Very low36.5Very low223 Ų223119.2 Ų119.288%0.87566%0.658SS**  trans7668.7-176.9-60.7-80.6000116.8
532S29.8Very low35.9Very low107 Ų107125.1 Ų125.175%0.74869%0.688SS**  trans-75.2111.3137.2560000109.1
533D35.1Very low35.4Very low132 Ų132126.9 Ų126.971%0.70670%0.698SS**  168.1125.9126.4-83.8-3.4000112.9
534H36.8Very low34.9Very low163 Ų163124 Ų12476%0.75569%0.693SS**  trans54.691.3155.7-57.3-54.7000120.9
535S32.3Very low34.4Very low99 Ų99131.1 Ų131.169%0.69271%0.714SS**  38.5136.1117.863.60000120
536T34.6Very low33.9Very low121 Ų121134.6 Ų134.674%0.74273%0.729SS**  cis-151.4146.847.150.70000115.5
537N30Very low33.6Very low158 Ų158136.1 Ų136.185%0.84573%0.727SS**  trans31110.1146.9-59.91.8000120.7
538S33Very low33.1Very low118 Ų118138.5 Ų138.583%0.82574%0.738SS**  -152.7138129.648.80000109.8
539S29.2Very low32.5Very low119 Ų119137.2 Ų137.283%0.83274%0.742SS**  trans-106.6129.2-174.642.10000111.1
540I32.1Very low32.1Very low152 Ų152138.6 Ų138.678%0.77975%0.749SS**  trans-130.696.5175.4-59.2-176.2000110
541V32.8Very low31.7Very low120 Ų120137.4 Ų137.473%0.72775%0.753SS**  trans39.987.4146.6-162.70000117.5N543V541-N543 HydrophobicContact CG1-CB 4.31Å
542N28.4Very low31.6Very low167 Ų167133.6 Ų133.689%0.89375%0.748SS**  trans-92.6113145.4-83.4-27.2000108.3
543N32.8Very low31.7Very low118 Ų118134.6 Ų134.663%0.63175%0.752SS**  trans-165.7136170.4-103.3-13.6000107.5V541V541-N543 HydrophobicContact CG1-CB 4.31Å
544S30.7Very low31.9Very low89 Ų89134.2 Ų134.262%0.62276%0.755SS**  cis-146.4116.62.4-65.60000111
545R33.9Very low31.8Very low199 Ų199130 Ų13075%0.75176%0.756SS**  trans-101.581.5157.1-84.2-171.3175.4171.4-1.1109N547R545-N547 VanDerWaalsContact C-N 3.26Å; R545-N547 PolarHBondContact O-N 3.05Å
546K30.2Very low31.8Very low197 Ų197132.7 Ų132.786%0.85776%0.762SS**  trans-85.470166.6-79.4-166.3173.8-173.90109.8
547N33Very low32.1Very low103 Ų103132.6 Ų132.655%0.55176%0.762SS**  trans-77.3127.6162-78-37.9000108.3R545 C549 H562R545-N547 VanDerWaalsContact C-N 3.26Å; R545-N547 PolarHBondContact O-N 3.05Å; N547-C549 PolarHBondContact O-N 3.14Å; N547-H562 PolarHBondContact ND2-CE1 2.69Å; N547-H562 PolarHBondContact ND2-NE2 3.04Å
548V30.1Very low32.4Very low127 Ų127132.2 Ų132.277%0.7776%0.76SS**  trans-69.1113.3175.6176.80000107.6L550V548-L550 HydrophobicContact CG1-CG 4.4Å; V548-L550 PolarHBondContact O-N 2.8Å
549C27.2Very low33Very low106 Ų106130.5 Ų130.572%0.71674%0.744SS**  trans-74.992.4172.5-167.50000108.6N547 T551N547-C549 PolarHBondContact O-N 3.14Å; C549-T551 PolarHBondContact O-N 2.82Å; C549-T551 VanDerWaalsContact O-N 3.12Å
550L29.7Very low33.9Very low155 Ų155125.5 Ų125.581%0.81271%0.708SS**  trans-70.798.9164.6-76.8170.9000107.8V548 N552V548-L550 HydrophobicContact CG1-CG 4.4Å; V548-L550 PolarHBondContact O-N 2.8Å; L550-N552 PolarHBondContact O-N 3.21Å; L550-N552 VanDerWaalsContact O-N 3.16Å
551T31.7Very low35.3Very low113 Ų113124.3 Ų124.369%0.69371%0.708SS**  trans-75.8100.1-177.350.60000110.8C549 P553C549-T551 PolarHBondContact O-N 2.82Å; C549-T551 VanDerWaalsContact O-N 3.12Å; T551-P553 WeakPolarHBondContact O-CD 3.37Å
552N30Very low37.4Very low143 Ų143122.3 Ų122.377%0.76569%0.69SS**  trans-85.1112.6160-82.8-4.4000109L550 T554L550-N552 PolarHBondContact O-N 3.21Å; L550-N552 VanDerWaalsContact O-N 3.16Å; N552-T554 VanDerWaalsContact C-N 3.31Å; N552-T554 PolarHBondContact O-N 2.63Å; N552-T554 VanDerWaalsContact O-N 3.13Å
553P32.9Very low40.3Very low127 Ų127115.4 Ų115.483%0.82565%0.654SS**  trans-89.759.9-175.737.2-35.8000112.2T551T551-P553 WeakPolarHBondContact O-CD 3.37Å
554T39Very low43.1Very low125 Ų125110.2 Ų110.277%0.76763%0.626SS**  trans-132120.7167.8420000109.3N552N552-T554 VanDerWaalsContact C-N 3.31Å; N552-T554 PolarHBondContact O-N 2.63Å; N552-T554 VanDerWaalsContact O-N 3.13Å
555G33.3Very low46.2Very low75 Ų75107.6 Ų107.677%0.77360%0.604SS**  trans-90.6119.7-16700000114
556N32.8Very low49.2Very low155 Ų15598.1 Ų98.183%0.82957%0.568SS**  -166.3150.8128.4-102-37.1000111.9
557T41Very low52.3Low119 Ų11989.3 Ų89.373%0.7353%0.531SS*.  trans54.9113.7175.655.70000117.5V559T557-V559 PolarHBondContact O-N 3.09Å
558D37.1Very low55.4Low150 Ų15089.4 Ų89.480%0.80253%0.532SS*.  trans-61.2106.5158.2-72-64000109.4H513H513-D558 PolarHBondContact CD2-O 2.92Å
559V44.1Very low58.6Low81 Ų8183.8 Ų83.849%0.49150%0.498SS..  trans-91.6139.8165.9179.30000107.5T557 V561T557-V559 PolarHBondContact O-N 3.09Å; V559-V561 PolarHBondContact O-N 2.97Å
560P49.9Very low61.9Low14 Ų1479 Ų799%0.09147%0.465CS..  trans-67.4108.5-178.3-4.817.9000109W507 Y512 H513 H562W507-P560 PolarHBondContact NE1-O 3.37Å; Y512-P560 HydrophobicContact CD1-CB 4.3Å; Y512-P560 HydrophobicContact CD1-CG 3.82Å; Y512-P560 HydrophobicContact CG-CG 4.5Å; H513-P560 VanDerWaalsContact CD2-CD 3.49Å; H513-P560 WeakPolarHBondContact CD2-CD 3.37Å; H513-P560 VanDerWaalsContact CD2-CG 3.47Å; H513-P560 WeakPolarHBondContact CD2-CG 3.49Å; P560-H562 PolarHBondContact O-N 2.99Å
561V60.1Low65.2Low128 Ų12873.4 Ų73.478%0.77644%0.44SS*.SBendtrans-58.4-8.7-171.6-169.20000113.8V559V559-V561 PolarHBondContact O-N 2.97Å
562H76.6Confident68.2Low77 Ų7772.1 Ų72.136%0.35643%0.425SS..SBendtrans-127.4134-175.6-55.8-24.3000111.7W507 N547 P560W507-H562 PolarHBondContact NE1-O 2.82Å; W507-H562 VanDerWaalsContact NE1-O 3.09Å; N547-H562 PolarHBondContact ND2-CE1 2.69Å; N547-H562 PolarHBondContact ND2-NE2 3.04Å; P560-H562 PolarHBondContact O-N 2.99Å
563L89.4Confident71.4Confident23 Ų2366.2 Ų66.212%0.1239%0.394CS..  trans-51.8146.6170.7-169.771.2000111.4L146 N263 L264 Y500 Y504 W507L146-L563 HydrophobicContact CD1-CD1 3.97Å; L146-L563 HydrophobicContact CD1-CD2 4.12Å; L146-L563 HydrophobicContact CD2-CD1 4.35Å; N263-L563 HydrophobicContact CB-CD2 3.86Å; L264-L563 HydrophobicContact CD2-CD2 4.3Å; L264-L563 HydrophobicContact CG-CD2 4.39Å; Y500-L563 WeakPolarHBondContact OH-CD2 3.27Å; Y500-L563 WeakPolarHBondContact OH-CG 3.33Å; Y504-L563 HydrophobicContact CD2-CD1 3.47Å; Y504-L563 VanDerWaalsContact CD2-CD1 3.47Å; Y504-L563 HydrophobicContact CE2-CD1 3.32Å; W507-L563 HydrophobicContact CE3-CD1 4.33Å; W507-L563 HydrophobicContact CH2-CD1 4.39Å; W507-L563 HydrophobicContact CZ3-CD1 4.13Å
564P93.3Very high74.5Confident8 Ų861 Ų615%0.05236%0.358CS..  trans-55.3152.1169.7-2636.4000112.4Y500 T503 W507Y500-P564 HydrophobicContact CE2-CB 4.07Å; Y500-P564 WeakPolarHBondContact CE2-O 3.39Å; Y500-P564 PolarHBondContact OH-O 3.07Å; T503-P564 HydrophobicContact CG2-CB 4.01Å; T503-P564 HydrophobicContact CG2-CG 4.01Å; W507-P564 HydrophobicContact CB-CG 3.95Å; W507-P564 HydrophobicContact CG-CG 4.17Å
565H94.9Very high77.3Confident35 Ų3560.9 Ų60.916%0.16235%0.347CS..  trans-117.5129.1-174.7-160.4-83.6000111.1N263 N280 S567 D568 I569N263-H565 PolarHBondContact OD1-CD2 2.81Å; N263-H565 VanDerWaalsContact OD1-CD2 3.27Å; N280-H565 PolarHBondContact OD1-CE1 3.29Å; H565-S567 PolarHBondContact CE1-OG 3.17Å; H565-S567 VanDerWaalsContact CE1-OG 3.29Å; H565-S567 PolarHBondContact ND1-N 2.73Å; H565-S567 PolarHBondContact ND1-OG 3.06Å; H565-S567 PolarHBondContact O-N 2.95Å; H565-S567 VanDerWaalsContact O-N 3.14Å; H565-D568 PolarHBondContact O-N 3.1Å; H565-I569 PolarHBondContact O-N 3.3Å
566V96.7Very high80.2Confident0 Ų061.7 Ų61.70%034%0.337CS..Hα-helixtrans-53.3-36.1-179161.30000112.6L151 N263 C266 I496 Y500 D568 I569 I570L151-V566 HydrophobicContact CD1-CG2 3.92Å; L151-V566 HydrophobicContact CD2-CG2 3.89Å; N263-V566 WeakPolarHBondContact O-CG2 3.36Å; N263-V566 PolarHBondContact O-N 2.84Å; C266-V566 HydrophobicContact CB-CG1 4.14Å; I496-V566 HydrophobicContact CG2-CG1 4.24Å; Y500-V566 HydrophobicContact CD2-CB 4.49Å; Y500-V566 HydrophobicContact CD2-CG2 3.61Å; Y500-V566 HydrophobicContact CE2-CG2 3.86Å; Y500-V566 HydrophobicContact CG-CG2 4.37Å; V566-D568 VanDerWaalsContact C-N 3.34Å; V566-D568 PolarHBondContact O-N 3.21Å; V566-I569 WeakPolarHBondContact O-CB 3.35Å; V566-I569 PolarHBondContact O-N 3.28Å; V566-I570 HydrophobicContact CG1-CD1 3.69Å; V566-I570 HydrophobicContact CG1-CG1 4.21Å; V566-I570 WeakPolarHBondContact O-CG1 3.45Å; V566-I570 PolarHBondContact O-N 3.36Å
567S96.3Very high83.3Confident11 Ų1154.7 Ų54.78%0.07730%0.299CS..Hα-helixtrans-66.1-29.4178.1690000115S279 H565 I569 I570 A571S279-S567 VanDerWaalsContact C-CB 3.49Å; S279-S567 WeakPolarHBondContact O-CB 3.32Å; S279-S567 VanDerWaalsContact OG-CB 3.27Å; S279-S567 WeakPolarHBondContact OG-CB 3.45Å; S279-S567 PolarHBondContact OG-OG 3.42Å; H565-S567 PolarHBondContact CE1-OG 3.17Å; H565-S567 VanDerWaalsContact CE1-OG 3.29Å; H565-S567 PolarHBondContact ND1-N 2.73Å; H565-S567 PolarHBondContact ND1-OG 3.06Å; H565-S567 PolarHBondContact O-N 2.95Å; H565-S567 VanDerWaalsContact O-N 3.14Å; S567-I569 VanDerWaalsContact C-N 3.35Å; S567-I570 PolarHBondContact O-N 2.9Å; S567-A571 WeakPolarHBondContact O-CB 3.26Å; S567-A571 PolarHBondContact O-N 2.89Å
568D96.3Very high86Confident105 Ų10549.6 Ų49.656%0.56127%0.267SS*.Hα-helixtrans-71-35.7175-71.5-47.6000110.6H565 V566 A571 K572H565-D568 PolarHBondContact O-N 3.1Å; V566-D568 VanDerWaalsContact C-N 3.34Å; V566-D568 PolarHBondContact O-N 3.21Å; D568-A571 PolarHBondContact O-N 2.92Å; D568-K572 VanDerWaalsContact O-CB 3.28Å; D568-K572 WeakPolarHBondContact O-CB 3.48Å; D568-K572 PolarHBondContact O-N 3.22Å
569I97.8Very high88.6Confident10 Ų1042.9 Ų42.95%0.05123%0.234CC..Hα-helixtrans-64.8-48.8172.4-53.5-59.1000110.7I496 N499 Y500 T503 H565 V566 S567 A571 K572 L573I496-I569 HydrophobicContact CG2-CG2 4.25Å; N499-I569 HydrophobicContact CB-CG2 3.56Å; Y500-I569 HydrophobicContact CD2-CG1 4.1Å; T503-I569 HydrophobicContact CG2-CD1 4.41Å; H565-I569 PolarHBondContact O-N 3.3Å; V566-I569 WeakPolarHBondContact O-CB 3.35Å; V566-I569 PolarHBondContact O-N 3.28Å; S567-I569 VanDerWaalsContact C-N 3.35Å; I569-A571 VanDerWaalsContact C-N 3.34Å; I569-A571 PolarHBondContact O-N 2.93Å; I569-K572 PolarHBondContact O-N 2.9Å; I569-L573 HydrophobicContact CG2-CD1 3.91Å; I569-L573 HydrophobicContact CG2-CG 4.46Å; I569-L573 WeakPolarHBondContact O-CB 3.34Å; I569-L573 WeakPolarHBondContact O-CG 3.39Å; I569-L573 PolarHBondContact O-N 3.38Å
570I97.9Very high91Very high6 Ų643.3 Ų43.33%0.03124%0.239CC..Hα-helixtrans-56.5-48174.1-70.7172.1000110.4I282 I496 V566 S567 K572 L573 R574 W715I282-I570 HydrophobicContact CG1-CD1 4.3Å; I496-I570 HydrophobicContact CD1-CG1 3.9Å; I496-I570 HydrophobicContact CG1-CG1 4.25Å; I496-I570 HydrophobicContact CG2-CG1 4.42Å; V566-I570 HydrophobicContact CG1-CD1 3.69Å; V566-I570 HydrophobicContact CG1-CG1 4.21Å; V566-I570 WeakPolarHBondContact O-CG1 3.45Å; V566-I570 PolarHBondContact O-N 3.36Å; S567-I570 PolarHBondContact O-N 2.9Å; I570-K572 VanDerWaalsContact C-N 3.34Å; I570-K572 PolarHBondContact O-N 3.3Å; I570-L573 PolarHBondContact O-N 2.86Å; I570-R574 HydrophobicContact CG2-CG 4.4Å; I570-R574 WeakPolarHBondContact O-CB 3.43Å; I570-R574 VanDerWaalsContact O-CG 3.25Å; I570-R574 WeakPolarHBondContact O-CG 3.36Å; I570-R574 PolarHBondContact O-N 2.95Å; I570-W715 HydrophobicContact CB-CH2 4.32Å; I570-W715 HydrophobicContact CG1-CH2 4.26Å; I570-W715 HydrophobicContact CG2-CH2 3.91Å; I570-W715 HydrophobicContact CG2-CZ2 4.31Å
571A97Very high93Very high36 Ų3649 Ų4930%0.29827%0.268SS..Hα-helixtrans-68.6-29.4-179.600000113.2S567 D568 I569 K575S567-A571 WeakPolarHBondContact O-CB 3.26Å; S567-A571 PolarHBondContact O-N 2.89Å; D568-A571 PolarHBondContact O-N 2.92Å; I569-A571 VanDerWaalsContact C-N 3.34Å; I569-A571 PolarHBondContact O-N 2.93Å; A571-K575 WeakPolarHBondContact O-CD 3.34Å; A571-K575 WeakPolarHBondContact O-CE 3.37Å; A571-K575 WeakPolarHBondContact O-CG 3.34Å; A571-K575 PolarHBondContact O-N 2.82Å
572K96.4Very high94.6Very high86 Ų8643.1 Ų43.137%0.37423%0.232SC..Hα-helixtrans-70.8-51.8173.1-175.8-178.2179.3-174.30110.9D568 I569 I570 K575D568-K572 VanDerWaalsContact O-CB 3.28Å; D568-K572 WeakPolarHBondContact O-CB 3.48Å; D568-K572 PolarHBondContact O-N 3.22Å; I569-K572 PolarHBondContact O-N 2.9Å; I570-K572 VanDerWaalsContact C-N 3.34Å; I570-K572 PolarHBondContact O-N 3.3Å; K572-K575 PolarHBondContact O-N 2.71Å
573L97.2Very high95.6Very high19 Ų1940 Ų4010%0.09922%0.218CC..Hα-helixtrans-63.8-41-179.1-71.1172.2000112.2I496 I569 I570 K575 T576 W715I496-L573 HydrophobicContact CB-CD1 4.49Å; I496-L573 HydrophobicContact CG1-CD1 3.75Å; I569-L573 HydrophobicContact CG2-CD1 3.91Å; I569-L573 HydrophobicContact CG2-CG 4.46Å; I569-L573 WeakPolarHBondContact O-CB 3.34Å; I569-L573 WeakPolarHBondContact O-CG 3.39Å; I569-L573 PolarHBondContact O-N 3.38Å; I570-L573 PolarHBondContact O-N 2.86Å; L573-K575 VanDerWaalsContact C-N 3.32Å; L573-K575 PolarHBondContact O-N 3.01Å; L573-T576 PolarHBondContact O-N 3.05Å; L573-T576 PolarHBondContact O-OG1 2.91Å; L573-W715 HydrophobicContact CB-CE3 4.1Å; L573-W715 HydrophobicContact CB-CZ3 3.64Å; L573-W715 HydrophobicContact CD1-CZ3 4.25Å
574R97.3Very high95.9Very high18 Ų1839 Ų397%0.06821%0.213CC..Hα-helixtrans-65-34.3176.8-69.11766480.91112.3I570 T576 V577 S607 L608 H712 W715I570-R574 HydrophobicContact CG2-CG 4.4Å; I570-R574 WeakPolarHBondContact O-CB 3.43Å; I570-R574 VanDerWaalsContact O-CG 3.25Å; I570-R574 WeakPolarHBondContact O-CG 3.36Å; I570-R574 PolarHBondContact O-N 2.95Å; R574-T576 PolarHBondContact O-N 2.92Å; R574-V577 WeakPolarHBondContact O-CB 3.5Å; R574-V577 VanDerWaalsContact O-CG2 3.24Å; R574-V577 WeakPolarHBondContact O-CG2 3.29Å; R574-V577 PolarHBondContact O-N 3.05Å; R574-V577 VanDerWaalsContact O-N 3.15Å; R574-S607 CarbonylContact C-O 3.54Å; R574-S607 WeakPolarHBondContact CB-O 3.43Å; R574-S607 PolarHBondContact NH2-OG 3.47Å; R574-L608 HydrophobicContact CB-CD2 4.41Å; R574-L608 CarbonylContact O-C 3.53Å; R574-L608 VanDerWaalsContact O-C 3.24Å; R574-L608 WeakPolarHBondContact O-CA 3.47Å; R574-H712 PolarHBondContact NH2-CE1 2.94Å; R574-H712 PolarHBondContact NH2-ND1 3.36Å; R574-W715 HydrophobicContact CG-CD2 3.86Å; R574-W715 HydrophobicContact CG-CE3 3.87Å; R574-W715 HydrophobicContact CG-CH2 3.64Å; R574-W715 HydrophobicContact CG-CZ2 3.6Å; R574-W715 HydrophobicContact CG-CZ3 3.78Å
575K96.9Very high96Very high123 Ų12338.6 Ų38.654%0.53521%0.21SC..Hα-helixtrans-64.2-19.5179.3-78.1166.9-168.81660114.7A571 K572 L573 V577A571-K575 WeakPolarHBondContact O-CD 3.34Å; A571-K575 WeakPolarHBondContact O-CE 3.37Å; A571-K575 WeakPolarHBondContact O-CG 3.34Å; A571-K575 PolarHBondContact O-N 2.82Å; K572-K575 PolarHBondContact O-N 2.71Å; L573-K575 VanDerWaalsContact C-N 3.32Å; L573-K575 PolarHBondContact O-N 3.01Å; K575-V577 VanDerWaalsContact C-N 3.33Å
576T96Very high96Very high92 Ų9237.3 Ų37.356%0.56420%0.204SC*.THydrogen-bonded Turntrans-82.5-10.6177.665.10000113.2L573 R574L573-T576 PolarHBondContact O-N 3.05Å; L573-T576 PolarHBondContact O-OG1 2.91Å; R574-T576 PolarHBondContact O-N 2.92Å
577V97.3Very high95.9Very high8 Ų837.7 Ų37.75%0.04821%0.207CC..THydrogen-bonded Turntrans-69.3-52-170.4179.80000112.9R574 K575 L608 C711 W715 H717R574-V577 WeakPolarHBondContact O-CB 3.5Å; R574-V577 VanDerWaalsContact O-CG2 3.24Å; R574-V577 WeakPolarHBondContact O-CG2 3.29Å; R574-V577 PolarHBondContact O-N 3.05Å; R574-V577 VanDerWaalsContact O-N 3.15Å; K575-V577 VanDerWaalsContact C-N 3.33Å; V577-L608 HydrophobicContact CB-CB 4.23Å; V577-L608 HydrophobicContact CB-CD2 3.99Å; V577-L608 HydrophobicContact CG1-CD1 4.48Å; V577-L608 HydrophobicContact CG1-CD2 4.09Å; V577-L608 HydrophobicContact CG2-CD2 4.11Å; V577-C711 HydrophobicContact CG1-CB 4.37Å; V577-W715 HydrophobicContact CG2-CB 4.14Å; V577-W715 VanDerWaalsContact CG2-O 3.31Å; V577-W715 WeakPolarHBondContact CG2-O 3.41Å; V577-H717 WeakPolarHBondContact O-CB 3.5Å
578L97Very high95.5Very high11 Ų1139.1 Ų39.16%0.05822%0.224CC..THydrogen-bonded Turntrans-104.4-31173.8-61178.5000111.6C582 I584 L608 W707 L708 C711L578-C582 HydrophobicContact CB-CB 3.8Å; L578-C582 WeakPolarHBondContact O-CB 3.41Å; L578-I584 HydrophobicContact CD1-CD1 3.75Å; L578-L608 HydrophobicContact CB-CB 4.31Å; L578-L608 WeakPolarHBondContact CB-O 3.49Å; L578-L608 HydrophobicContact CD1-CB 3.76Å; L578-L608 HydrophobicContact CD1-CD1 3.99Å; L578-L608 HydrophobicContact CG-CB 3.8Å; L578-L608 HydrophobicContact CG-CD1 4.26Å; L578-L608 PolarHBondContact N-O 3.27Å; L578-W707 HydrophobicContact CD2-CH2 3.81Å; L578-W707 HydrophobicContact CD2-CZ2 4.08Å; L578-L708 HydrophobicContact CD1-CD1 4.18Å; L578-C711 HydrophobicContact CD2-CB 4.22Å
579G92.6Very high95.1Very high10 Ų1034.2 Ų34.210%0.10320%0.198CC..  trans65.9174.4177.600000115.1N581 C582 L608 G609G579-N581 PolarHBondContact O-N 2.74Å; G579-C582 PolarHBondContact O-N 3.07Å; G579-L608 PolarHBondContact N-O 2.85Å; G579-G609 CarbonylContact C-O 3.59Å; G579-G609 CarbonylContact O-C 3.55Å; G579-G609 VanDerWaalsContact O-O 3.13Å
580P93.1Very high94.4Very high90 Ų9035 Ų3558%0.58420%0.204SC*.THydrogen-bonded Turntrans-68.6-17.2-17228.2-36.2000114.1I611P580-I611 VanDerWaalsContact O-CD1 3.26Å; P580-I611 WeakPolarHBondContact O-CD1 3.28Å
581N91.9Very high93.2Very high133 Ų13335.8 Ų35.871%0.71121%0.21SC*.THydrogen-bonded Turntrans-80.6-18.2179.5-63.8-27.5000112.7G579 H583G579-N581 PolarHBondContact O-N 2.74Å; N581-H583 PolarHBondContact O-CD2 3.22Å; N581-H583 PolarHBondContact O-N 3.34Å; N581-H583 VanDerWaalsContact O-N 3.09Å
582C95.4Very high92Very high4 Ų439.1 Ų39.13%0.02724%0.237CC..  trans-81.891.9-179-170.10000110.8L578 G579 G610 I611L578-C582 HydrophobicContact CB-CB 3.8Å; L578-C582 WeakPolarHBondContact O-CB 3.41Å; G579-C582 PolarHBondContact O-N 3.07Å; C582-G610 WeakPolarHBondContact O-CA 3.36Å; C582-I611 PolarHBondContact O-N 3.09Å
583H96.1Very high90.9Very high13 Ų1342.1 Ų42.16%0.0625%0.252CS..EExtended strand (participates in β ladder)trans-87.9107.2178.1-66.4-64.5000111.1N581 I611 H613 H661 Y662 T663 T664 H665N581-H583 PolarHBondContact O-CD2 3.22Å; N581-H583 PolarHBondContact O-N 3.34Å; N581-H583 VanDerWaalsContact O-N 3.09Å; H583-I611 CarbonylContact C-O 3.47Å; H583-I611 WeakPolarHBondContact CA-O 3.3Å; H583-H613 AromaticContact ND1-NE2 3.45Å; H583-H613 PolarHBondContact ND1-NE2 3.05Å; H583-H661 AromaticContact CE1-CG 3.61Å; H583-H661 AromaticContact CE1-ND1 3.24Å; H583-H661 PolarHBondContact CE1-ND1 2.57Å; H583-H661 AromaticContact NE2-CE1 3.93Å; H583-H661 AromaticContact NE2-CG 3.59Å; H583-H661 AromaticContact NE2-ND1 2.89Å; H583-H661 PolarHBondContact NE2-ND1 2.88Å; H583-Y662 WeakPolarHBondContact CB-O 3.5Å; H583-T663 CarbonylContact O-C 3.59Å; H583-T664 HydrophobicContact CB-CG2 4.31Å; H583-T664 PolarHBondContact N-OG1 3.24Å; H583-T664 PolarHBondContact O-N 3.27Å; H583-T664 PolarHBondContact O-OG1 3.38Å; H583-H665 PolarHBondContact O-N 2.91Å
584I96.7Very high89.7Confident0 Ų045.7 Ų45.70%027%0.267CS..EExtended strand (participates in β ladder)trans-104.5143.7-171-77.3164.9000111.9L578 L586 V605 I611 L612 H613 H665 I667 W707L578-I584 HydrophobicContact CD1-CD1 3.75Å; I584-L586 HydrophobicContact CG2-CD2 3.99Å; I584-V605 HydrophobicContact CB-CG1 4.1Å; I584-V605 HydrophobicContact CB-CG2 4.42Å; I584-V605 HydrophobicContact CD1-CG1 3.98Å; I584-V605 HydrophobicContact CD1-CG2 3.93Å; I584-V605 HydrophobicContact CG2-CG1 4.26Å; I584-V605 HydrophobicContact CG2-CG2 3.81Å; I584-I611 PolarHBondContact N-O 3.48Å; I584-L612 HydrophobicContact CG2-CD1 4.2Å; I584-H613 PolarHBondContact O-N 2.98Å; I584-H665 CarbonylContact C-O 3.45Å; I584-H665 WeakPolarHBondContact CA-O 3.26Å; I584-H665 HydrophobicContact CG1-CB 3.65Å; I584-I667 HydrophobicContact CB-CD1 4.47Å; I584-I667 HydrophobicContact CD1-CD1 4.09Å; I584-I667 HydrophobicContact CG1-CD1 4.18Å; I584-I667 HydrophobicContact CG2-CD1 3.46Å; I584-I667 VanDerWaalsContact CG2-CD1 3.46Å; I584-I667 HydrophobicContact CG2-CG1 4.05Å; I584-W707 HydrophobicContact CD1-CH2 4.17Å; I584-W707 HydrophobicContact CD1-CZ3 3.94Å
585T96Very high88.9Confident0 Ų047.6 Ų47.60%028%0.282CS..EExtended strand (participates in β ladder)trans-129.5131.7166.4-60.30000110L616 T663 H665 L666 I667 K675T585-L616 HydrophobicContact CG2-CB 4.24Å; T585-T663 WeakPolarHBondContact OG1-CG2 3.33Å; T585-T663 PolarHBondContact OG1-OG1 2.76Å; T585-H665 PolarHBondContact N-O 2.84Å; T585-L666 HydrophobicContact CG2-CD1 4.22Å; T585-L666 WeakPolarHBondContact O-CD1 3.47Å; T585-I667 PolarHBondContact O-N 2.84Å; T585-K675 HydrophobicContact CG2-CD 3.96Å
586L95Very high88.3Confident8 Ų843 Ų434%0.04227%0.267CS..EExtended strand (participates in β ladder)trans-90.8144.1178.1-56179.8000111.9I584 L589 A601 L612 I667 K675I584-L586 HydrophobicContact CG2-CD2 3.99Å; L586-L589 HydrophobicContact CB-CB 4.39Å; L586-L589 HydrophobicContact CD2-CD1 3.95Å; L586-A601 HydrophobicContact CD1-CB 3.73Å; L586-A601 HydrophobicContact CD2-CB 4.29Å; L586-L612 HydrophobicContact CD1-CD1 4.1Å; L586-L612 HydrophobicContact CG-CD1 3.87Å; L586-I667 CarbonylContact C-O 3.57Å; L586-I667 HydrophobicContact CD2-CB 4.1Å; L586-I667 HydrophobicContact CD2-CD1 3.99Å; L586-I667 HydrophobicContact CD2-CG1 4.48Å; L586-K675 PolarHBondContact O-NZ 3.27Å
587S93.5Very high87.7Confident8 Ų841.9 Ų41.96%0.05626%0.257CS..EExtended strand (participates in β ladder)trans-135.3108.9172.9-1640000111.9L589 I667 A668 C669 T673S587-L589 VanDerWaalsContact C-N 3.27Å; S587-L589 PolarHBondContact O-N 2.81Å; S587-I667 PolarHBondContact N-O 2.96Å; S587-A668 CarbonylContact O-C 3.59Å; S587-A668 WeakPolarHBondContact O-CA 3.15Å; S587-C669 PolarHBondContact O-N 2.93Å; S587-T673 WeakPolarHBondContact OG-CB 3.13Å; S587-T673 PolarHBondContact OG-OG1 2.8Å
588G88.2Confident87Confident42 Ų4249.3 Ų49.343%0.43328%0.284SS..SBendtrans82.3-9.2-179.100000115.9P731G588-P731 WeakPolarHBondContact O-CG 3.18Å
589L87.2Confident86.5Confident2 Ų249 Ų491%0.0128%0.283CS..SBendtrans-81.5-17.3174.9-79.9166.9000114.8L586 S587 A601 I667 C669 P705 W709L586-L589 HydrophobicContact CB-CB 4.39Å; L586-L589 HydrophobicContact CD2-CD1 3.95Å; S587-L589 VanDerWaalsContact C-N 3.27Å; S587-L589 PolarHBondContact O-N 2.81Å; L589-A601 HydrophobicContact CB-CB 4.21Å; L589-A601 HydrophobicContact CD1-CB 4.35Å; L589-I667 HydrophobicContact CD1-CB 4.28Å; L589-I667 HydrophobicContact CD1-CG2 3.63Å; L589-C669 WeakPolarHBondContact CD2-SG 3.23Å; L589-C669 WeakPolarHBondContact CG-SG 3.4Å; L589-P705 HydrophobicContact CD1-CB 4.05Å; L589-P705 HydrophobicContact CD1-CG 4.23Å; L589-P705 HydrophobicContact CD2-CB 3.92Å; L589-P705 HydrophobicContact CD2-CG 4.04Å; L589-P705 HydrophobicContact CG-CB 4.43Å; L589-P705 HydrophobicContact CG-CG 4.32Å; L589-W709 HydrophobicContact CD1-CZ3 4.43Å; L589-W709 HydrophobicContact CD2-CH2 4.2Å; L589-W709 HydrophobicContact CD2-CZ3 4.1Å
590S82.8Confident86.3Confident27 Ų2749.2 Ų49.219%0.18928%0.282CS..SBendtrans-105.5132.6173.6-163.80000109.4F594 A596S590-F594 PolarHBondContact OG-O 3.19Å; S590-A596 WeakPolarHBondContact OG-CA 3.43Å
591P73.6Confident86.3Confident22 Ų2245 Ų4514%0.14326%0.255CS..  trans-54.5139.1165.9-22.432.4000110.2H593 F594 I738P591-H593 PolarHBondContact O-N 2.84Å; P591-H593 VanDerWaalsContact O-N 3.11Å; P591-F594 HydrophobicContact CB-CB 3.95Å; P591-F594 HydrophobicContact CG-CB 4.2Å; P591-F594 PolarHBondContact O-N 3.17Å; P591-F594 VanDerWaalsContact O-O 3.12Å; P591-I738 HydrophobicContact CG-CG1 4.47Å; P591-I738 HydrophobicContact CG-CG2 4.23Å
592A72.8Confident86.4Confident106 Ų10638.7 Ų38.788%0.87622%0.221SC*.THydrogen-bonded Turntrans-66.4-18-170.500000114.6
593H72.6Confident86.3Confident148 Ų14843.6 Ų43.669%0.68524%0.239SC*.THydrogen-bonded Turntrans-94.2-6.1174.556.8-108.1000113P591P591-H593 PolarHBondContact O-N 2.84Å; P591-H593 VanDerWaalsContact O-N 3.11Å
594F72.6Confident86.2Confident94 Ų9443.2 Ų43.241%0.41224%0.237SC..SBendtrans-109.6131.6-173.8-153.6-109.9000110.5S590 P591 A596 R598 C599S590-F594 PolarHBondContact OG-O 3.19Å; P591-F594 HydrophobicContact CB-CB 3.95Å; P591-F594 HydrophobicContact CG-CB 4.2Å; P591-F594 PolarHBondContact O-N 3.17Å; P591-F594 VanDerWaalsContact O-O 3.12Å; F594-A596 PolarHBondContact O-N 3.01Å; F594-R598 HydrophobicContact CD1-CB 4.12Å; F594-R598 HydrophobicContact CE1-CB 3.48Å; F594-R598 VanDerWaalsContact CE1-CB 3.48Å; F594-R598 HydrophobicContact CZ-CB 4Å; F594-C599 HydrophobicContact CD1-CB 4.11Å; F594-C599 HydrophobicContact CE1-CB 4.47Å
595P80.5Confident86.2Confident59 Ų5943.2 Ų43.238%0.38324%0.237SC..  trans-60.1128178.6-22.333.2000111.2D597 R598 C599P595-D597 WeakPolarHBondContact CB-OD1 3.34Å; P595-D597 PolarHBondContact O-N 3.39Å; P595-R598 HydrophobicContact CB-CG 4.24Å; P595-R598 PolarHBondContact O-N 3.35Å; P595-C599 PolarHBondContact O-N 2.98Å
596A82.7Confident86.2Confident26 Ų2648.9 Ų48.922%0.21526%0.259CS..THydrogen-bonded Turntrans-62-18.9-176.400000113S590 F594 R598 C599 G602 L612S590-A596 WeakPolarHBondContact OG-CA 3.43Å; F594-A596 PolarHBondContact O-N 3.01Å; A596-R598 VanDerWaalsContact C-N 3.29Å; A596-C599 PolarHBondContact O-SG 2.82Å; A596-G602 WeakPolarHBondContact O-CA 3.3Å; A596-L612 VanDerWaalsContact O-CD2 3.25Å; A596-L612 WeakPolarHBondContact O-CD2 3.48Å
597D83.6Confident86.1Confident68 Ų6850.5 Ų50.536%0.36427%0.27SS..THydrogen-bonded Turntrans-71.8-16171.853.8-69.8000114.9P595 R606 L612P595-D597 WeakPolarHBondContact CB-OD1 3.34Å; P595-D597 PolarHBondContact O-N 3.39Å; D597-R606 PolarHBondContact O-NH1 3.39Å; D597-L612 HydrophobicContact CB-CD2 4.41Å
598R83.5Confident86.3Confident164 Ų16450.1 Ų50.162%0.61927%0.268SS*.THydrogen-bonded Turntrans-109.6-23.8-174.8-60.5-173.2179.5-154.8-2.8114.6F594 P595 A596 R603F594-R598 HydrophobicContact CD1-CB 4.12Å; F594-R598 HydrophobicContact CE1-CB 3.48Å; F594-R598 VanDerWaalsContact CE1-CB 3.48Å; F594-R598 HydrophobicContact CZ-CB 4Å; P595-R598 HydrophobicContact CB-CG 4.24Å; P595-R598 PolarHBondContact O-N 3.35Å; A596-R598 VanDerWaalsContact C-N 3.29Å; R598-R603 WeakPolarHBondContact O-CD 3.4Å
599C87.1Confident86.7Confident5 Ų548.9 Ų48.93%0.03426%0.255CS..SBendtrans-64.9161.2176.968.70000111.5F594 P595 A596 A601 G602 R603F594-C599 HydrophobicContact CD1-CB 4.11Å; F594-C599 HydrophobicContact CE1-CB 4.47Å; P595-C599 PolarHBondContact O-N 2.98Å; A596-C599 PolarHBondContact O-SG 2.82Å; C599-A601 VanDerWaalsContact C-N 3.31Å; C599-A601 PolarHBondContact O-N 2.9Å; C599-G602 WeakPolarHBondContact O-CA 3.48Å; C599-G602 PolarHBondContact O-N 2.95Å; C599-R603 PolarHBondContact O-N 3.16Å
600L88.3Confident87.2Confident15 Ų1549 Ų498%0.07926%0.256CS..Hα-helixtrans-54.4-47.2-175.4-178.453.2000111.7W277 G602 R603 I604 W709 D735W277-L600 HydrophobicContact CE3-CD1 4.46Å; W277-L600 HydrophobicContact CH2-CD1 3.34Å; W277-L600 HydrophobicContact CH2-CD2 4.08Å; W277-L600 HydrophobicContact CH2-CG 4.36Å; W277-L600 HydrophobicContact CZ2-CD1 3.88Å; W277-L600 HydrophobicContact CZ2-CD2 4.48Å; W277-L600 HydrophobicContact CZ3-CD1 3.67Å; L600-G602 VanDerWaalsContact C-N 3.3Å; L600-G602 PolarHBondContact O-N 3.15Å; L600-R603 PolarHBondContact O-N 2.7Å; L600-R603 VanDerWaalsContact O-N 3.13Å; L600-I604 HydrophobicContact CD1-CD1 4Å; L600-I604 HydrophobicContact CD1-CG1 4.08Å; L600-I604 HydrophobicContact CG-CD1 3.85Å; L600-I604 HydrophobicContact CG-CG1 4.37Å; L600-I604 WeakPolarHBondContact O-CG1 3.02Å; L600-I604 PolarHBondContact O-N 3.38Å; L600-W709 HydrophobicContact CD2-CZ2 4.24Å; L600-W709 HydrophobicContact CG-CZ2 4.28Å; L600-D735 HydrophobicContact CB-CB 4.29Å; L600-D735 WeakPolarHBondContact CB-OD2 3.36Å; L600-D735 HydrophobicContact CD2-CB 4.09Å
601A93Very high87.8Confident1 Ų150.7 Ų50.71%0.00826%0.263CS..Hα-helixtrans-52.9-44.3174.300000113L586 L589 C599 I604 V605 L708 W709L586-A601 HydrophobicContact CD1-CB 3.73Å; L586-A601 HydrophobicContact CD2-CB 4.29Å; L589-A601 HydrophobicContact CB-CB 4.21Å; L589-A601 HydrophobicContact CD1-CB 4.35Å; C599-A601 VanDerWaalsContact C-N 3.31Å; C599-A601 PolarHBondContact O-N 2.9Å; A601-I604 PolarHBondContact O-N 2.89Å; A601-V605 WeakPolarHBondContact O-CG2 3.26Å; A601-V605 PolarHBondContact O-N 3.07Å; A601-L708 HydrophobicContact CB-CD2 4.22Å; A601-W709 HydrophobicContact CB-CH2 3.83Å; A601-W709 HydrophobicContact CB-CZ3 4.19Å
602G93.7Very high88.8Confident0 Ų050.7 Ų50.70%026%0.261CS..Hα-helixtrans-71.7-29.9179.700000114.4A596 C599 L600 R606A596-G602 WeakPolarHBondContact O-CA 3.3Å; C599-G602 WeakPolarHBondContact O-CA 3.48Å; C599-G602 PolarHBondContact O-N 2.95Å; L600-G602 VanDerWaalsContact C-N 3.3Å; L600-G602 PolarHBondContact O-N 3.15Å; G602-R606 PolarHBondContact O-N 3.39Å
603R92.1Very high89.8Confident108 Ų10846.7 Ų46.741%0.40822%0.224SC..Hα-helixtrans-71.1-46171.4-64.6177.172.4-161.53.1110.7W277 R598 C599 L600 R606 S607W277-R603 VanDerWaalsContact CD1-NH1 3.25Å; R598-R603 WeakPolarHBondContact O-CD 3.4Å; C599-R603 PolarHBondContact O-N 3.16Å; L600-R603 PolarHBondContact O-N 2.7Å; L600-R603 VanDerWaalsContact O-N 3.13Å; R603-R606 PolarHBondContact O-N 3.3Å; R603-S607 WeakPolarHBondContact O-CB 3.49Å; R603-S607 PolarHBondContact O-N 2.89Å
604I95Very high90.5Very high5 Ų543.4 Ų43.43%0.02622%0.223CC..Hα-helixtrans-55.4-56175.3-70.6173000110.1L600 A601 R606 S607 L608 L708 W709 H712L600-I604 HydrophobicContact CD1-CD1 4Å; L600-I604 HydrophobicContact CD1-CG1 4.08Å; L600-I604 HydrophobicContact CG-CD1 3.85Å; L600-I604 HydrophobicContact CG-CG1 4.37Å; L600-I604 WeakPolarHBondContact O-CG1 3.02Å; L600-I604 PolarHBondContact O-N 3.38Å; A601-I604 PolarHBondContact O-N 2.89Å; I604-R606 VanDerWaalsContact C-N 3.3Å; I604-R606 PolarHBondContact O-N 3.45Å; I604-S607 PolarHBondContact O-N 3Å; I604-S607 PolarHBondContact O-OG 3.48Å; I604-L608 HydrophobicContact CG2-CD1 3.83Å; I604-L608 HydrophobicContact CG2-CG 4.34Å; I604-L608 WeakPolarHBondContact O-CG 3.34Å; I604-L608 PolarHBondContact O-N 3.24Å; I604-L708 HydrophobicContact CG2-CD1 3.92Å; I604-L708 HydrophobicContact CG2-CD2 4.29Å; I604-L708 HydrophobicContact CG2-CG 3.88Å; I604-W709 HydrophobicContact CD1-CD2 4.39Å; I604-W709 HydrophobicContact CD1-CZ2 3.91Å; I604-H712 HydrophobicContact CG2-CB 3.71Å
605V96.7Very high91.3Very high0 Ų042.8 Ų42.80%023%0.23CC..Hα-helixtrans-47.2-50.1179.6165.30000112.2I584 A601 L608 G610 L612 L708I584-V605 HydrophobicContact CB-CG1 4.1Å; I584-V605 HydrophobicContact CB-CG2 4.42Å; I584-V605 HydrophobicContact CD1-CG1 3.98Å; I584-V605 HydrophobicContact CD1-CG2 3.93Å; I584-V605 HydrophobicContact CG2-CG1 4.26Å; I584-V605 HydrophobicContact CG2-CG2 3.81Å; A601-V605 WeakPolarHBondContact O-CG2 3.26Å; A601-V605 PolarHBondContact O-N 3.07Å; V605-L608 PolarHBondContact O-N 3.04Å; V605-G610 WeakPolarHBondContact O-CA 3.39Å; V605-G610 PolarHBondContact O-N 2.9Å; V605-L612 HydrophobicContact CG1-CB 4.03Å; V605-L612 HydrophobicContact CG1-CD1 4.5Å; V605-L708 HydrophobicContact CG2-CD1 3.79Å; V605-L708 HydrophobicContact CG2-CD2 3.83Å; V605-L708 HydrophobicContact CG2-CG 4.49Å
606R95.1Very high91.9Very high119 Ų11941.6 Ų41.645%0.44922%0.221SC..Hα-helixtrans-72.6-36.7179.8-71-162-170.389.1-10.9113.8D597 G602 R603 I604 L608 G609D597-R606 PolarHBondContact O-NH1 3.39Å; G602-R606 PolarHBondContact O-N 3.39Å; R603-R606 PolarHBondContact O-N 3.3Å; I604-R606 VanDerWaalsContact C-N 3.3Å; I604-R606 PolarHBondContact O-N 3.45Å; R606-L608 PolarHBondContact O-N 2.96Å; R606-G609 PolarHBondContact O-N 3.24Å
607S94.7Very high92.4Very high41 Ų4145.7 Ų45.729%0.28723%0.231SC..Hα-helixtrans-61.2-31.4176.575.90000111.5R574 R603 I604 G609R574-S607 CarbonylContact C-O 3.54Å; R574-S607 WeakPolarHBondContact CB-O 3.43Å; R574-S607 PolarHBondContact NH2-OG 3.47Å; R603-S607 WeakPolarHBondContact O-CB 3.49Å; R603-S607 PolarHBondContact O-N 2.89Å; I604-S607 PolarHBondContact O-N 3Å; I604-S607 PolarHBondContact O-OG 3.48Å; S607-G609 VanDerWaalsContact C-N 3.27Å; S607-G609 PolarHBondContact O-N 3.43Å
608L97.4Very high92.8Very high0 Ų044.7 Ų44.70%023%0.225CC..THydrogen-bonded Turntrans-84.77.5176-59.3179.5000113.9R574 V577 L578 G579 I604 V605 R606 G610 L708 C711 H712R574-L608 HydrophobicContact CB-CD2 4.41Å; R574-L608 CarbonylContact O-C 3.53Å; R574-L608 VanDerWaalsContact O-C 3.24Å; R574-L608 WeakPolarHBondContact O-CA 3.47Å; V577-L608 HydrophobicContact CB-CB 4.23Å; V577-L608 HydrophobicContact CB-CD2 3.99Å; V577-L608 HydrophobicContact CG1-CD1 4.48Å; V577-L608 HydrophobicContact CG1-CD2 4.09Å; V577-L608 HydrophobicContact CG2-CD2 4.11Å; L578-L608 HydrophobicContact CB-CB 4.31Å; L578-L608 WeakPolarHBondContact CB-O 3.49Å; L578-L608 HydrophobicContact CD1-CB 3.76Å; L578-L608 HydrophobicContact CD1-CD1 3.99Å; L578-L608 HydrophobicContact CG-CB 3.8Å; L578-L608 HydrophobicContact CG-CD1 4.26Å; L578-L608 PolarHBondContact N-O 3.27Å; G579-L608 PolarHBondContact N-O 2.85Å; I604-L608 HydrophobicContact CG2-CD1 3.83Å; I604-L608 HydrophobicContact CG2-CG 4.34Å; I604-L608 WeakPolarHBondContact O-CG 3.34Å; I604-L608 PolarHBondContact O-N 3.24Å; V605-L608 PolarHBondContact O-N 3.04Å; R606-L608 PolarHBondContact O-N 2.96Å; L608-G610 VanDerWaalsContact C-N 3.33Å; L608-G610 PolarHBondContact O-N 3.45Å; L608-L708 HydrophobicContact CD1-CD1 4.4Å; L608-C711 HydrophobicContact CD1-CB 3.96Å; L608-H712 HydrophobicContact CD1-CB 4.19Å
609G96.4Very high92.9Very high17 Ų1738.3 Ų38.318%0.17521%0.205CC..THydrogen-bonded Turntrans85.2-8.6-179.800000115.8G579 R606 S607G579-G609 CarbonylContact C-O 3.59Å; G579-G609 CarbonylContact O-C 3.55Å; G579-G609 VanDerWaalsContact O-O 3.13Å; R606-G609 PolarHBondContact O-N 3.24Å; S607-G609 VanDerWaalsContact C-N 3.27Å; S607-G609 PolarHBondContact O-N 3.43Å
610G96.3Very high92.5Very high3 Ų343.2 Ų43.23%0.03124%0.239CC..  trans-70.6146.4-176.900000114.2C582 V605 L608C582-G610 WeakPolarHBondContact O-CA 3.36Å; V605-G610 WeakPolarHBondContact O-CA 3.39Å; V605-G610 PolarHBondContact O-N 2.9Å; L608-G610 VanDerWaalsContact C-N 3.33Å; L608-G610 PolarHBondContact O-N 3.45Å
611I95.7Very high91.5Very high64 Ų6445.5 Ų45.533%0.32825%0.251SS..EExtended strand (participates in β ladder)trans-95.9108.3-177.5-64.8-174.9000110.2P580 C582 H583 I584 H613P580-I611 VanDerWaalsContact O-CD1 3.26Å; P580-I611 WeakPolarHBondContact O-CD1 3.28Å; C582-I611 PolarHBondContact O-N 3.09Å; H583-I611 CarbonylContact C-O 3.47Å; H583-I611 WeakPolarHBondContact CA-O 3.3Å; I584-I611 PolarHBondContact N-O 3.48Å; I611-H613 WeakPolarHBondContact CG2-NE2 3.36Å
612L94.9Very high89.6Confident21 Ų2150.3 Ų50.311%0.1128%0.283CS..EExtended strand (participates in β ladder)trans-77133.6179.1-176.567.2000112.9I584 L586 A596 D597 V605I584-L612 HydrophobicContact CG2-CD1 4.2Å; L586-L612 HydrophobicContact CD1-CD1 4.1Å; L586-L612 HydrophobicContact CG-CD1 3.87Å; A596-L612 VanDerWaalsContact O-CD2 3.25Å; A596-L612 WeakPolarHBondContact O-CD2 3.48Å; D597-L612 HydrophobicContact CB-CD2 4.41Å; V605-L612 HydrophobicContact CG1-CB 4.03Å; V605-L612 HydrophobicContact CG1-CD1 4.5Å
613H93.3Very high87.4Confident22 Ų2256.6 Ų56.610%0.10232%0.317CS..EExtended strand (participates in β ladder)trans-114.6133.6170.6-63.4-23.7000111.6H583 I584 I611 S615 R617H583-H613 AromaticContact ND1-NE2 3.45Å; H583-H613 PolarHBondContact ND1-NE2 3.05Å; I584-H613 PolarHBondContact O-N 2.98Å; I611-H613 WeakPolarHBondContact CG2-NE2 3.36Å; H613-S615 VanDerWaalsContact C-N 3.34Å; H613-S615 PolarHBondContact O-N 2.84Å; H613-R617 PolarHBondContact NE2-NH1 2.68Å
614A88Confident85Confident80 Ų8059.9 Ų59.966%0.66134%0.337SS*.SBendtrans-64.8-37.3177.100000112.9K675A614-K675 PolarHBondContact O-NZ 2.98Å
615S89.5Confident82.5Confident80 Ų8063.7 Ų63.756%0.55936%0.364SS*.SBendtrans-121149.7-177.5-630000111H613 R617H613-S615 VanDerWaalsContact C-N 3.34Å; H613-S615 PolarHBondContact O-N 2.84Å; S615-R617 PolarHBondContact O-N 2.9Å
616L93.9Very high79.5Confident35 Ų3571.6 Ų71.618%0.18341%0.406CS..  trans-66.9119.9175.917862.1000109.3T585 L618 T663 L666 K675 A678 A679T585-L616 HydrophobicContact CG2-CB 4.24Å; L616-L618 HydrophobicContact CD1-CD2 4.1Å; L616-L618 HydrophobicContact CD1-CG 4.3Å; L616-L618 HydrophobicContact CD2-CD1 3.99Å; L616-L618 HydrophobicContact CD2-CG 4.42Å; L616-L618 HydrophobicContact CG-CD1 4.1Å; L616-L618 HydrophobicContact CG-CD2 4.34Å; L616-L618 HydrophobicContact CG-CG 3.99Å; L616-T663 HydrophobicContact CD1-CG2 3.77Å; L616-L666 HydrophobicContact CD1-CD2 4.47Å; L616-L666 HydrophobicContact CD2-CD2 4.33Å; L616-K675 HydrophobicContact CB-CD 4.49Å; L616-K675 HydrophobicContact CB-CG 4.38Å; L616-K675 HydrophobicContact CD2-CB 4.2Å; L616-K675 WeakPolarHBondContact CD2-O 3.37Å; L616-A678 HydrophobicContact CD2-CB 3.98Å; L616-A679 HydrophobicContact CD2-CB 4.34Å
617R93.2Very high77.1Confident112 Ų11272 Ų7242%0.42342%0.421SS..  trans-108.6117.9-179.9-64.1179.7-179.8-179-2.6109.2H613 S615 H661 Y662 T663H613-R617 PolarHBondContact NE2-NH1 2.68Å; S615-R617 PolarHBondContact O-N 2.9Å; R617-H661 WeakPolarHBondContact CD-O 3.44Å; R617-H661 PolarHBondContact NH1-O 3.23Å; R617-Y662 HydrophobicContact CB-CD1 4.35Å; R617-T663 PolarHBondContact N-OG1 3.36Å; R617-T663 WeakPolarHBondContact O-CB 3.11Å; R617-T663 PolarHBondContact O-N 3.14Å
618L91.2Very high74.4Confident47 Ų4777 Ų7725%0.24645%0.445CS..  trans-125.1145.8-178.5-61.9171.2000110.3L616 Y662 Y682 L700L616-L618 HydrophobicContact CD1-CD2 4.1Å; L616-L618 HydrophobicContact CD1-CG 4.3Å; L616-L618 HydrophobicContact CD2-CD1 3.99Å; L616-L618 HydrophobicContact CD2-CG 4.42Å; L616-L618 HydrophobicContact CG-CD1 4.1Å; L616-L618 HydrophobicContact CG-CD2 4.34Å; L616-L618 HydrophobicContact CG-CG 3.99Å; L618-Y662 VanDerWaalsContact C-CD1 3.5Å; L618-Y682 HydrophobicContact CB-CD2 4.15Å; L618-Y682 HydrophobicContact CB-CE2 4.47Å; L618-Y682 HydrophobicContact CD1-CD2 4.43Å; L618-Y682 HydrophobicContact CD1-CG 4.19Å; L618-Y682 HydrophobicContact CD2-CD1 4.13Å; L618-Y682 HydrophobicContact CD2-CD2 4.48Å; L618-Y682 HydrophobicContact CD2-CG 4.09Å; L618-L700 HydrophobicContact CD2-CD1 4.4Å; L618-L700 HydrophobicContact CD2-CD2 3.6Å
619P86.7Confident71.8Confident29 Ų2985 Ų8519%0.18849%0.488CS..  trans-56.7141.4170.7-26.134.7000112.7I621 Y662 Y682 H698P619-I621 PolarHBondContact O-N 3.09Å; P619-Y662 HydrophobicContact CB-CE1 4.39Å; P619-Y662 HydrophobicContact CB-CE2 4.31Å; P619-Y662 HydrophobicContact CG-CD1 4.16Å; P619-Y662 HydrophobicContact CG-CD2 3.83Å; P619-Y662 HydrophobicContact CG-CE1 4.21Å; P619-Y662 HydrophobicContact CG-CE2 3.87Å; P619-Y662 HydrophobicContact CG-CG 3.98Å; P619-Y682 HydrophobicContact CB-CE2 4.29Å; P619-Y682 HydrophobicContact CG-CE2 4.36Å; P619-Y682 WeakPolarHBondContact CG-OH 3.36Å; P619-H698 HydrophobicContact CG-CB 3.9Å
620S77.5Confident69.2Low109 Ų10991 Ų9176%0.76252%0.516SS*.  trans-73.610917452.80000110.4C622S620-C622 PolarHBondContact O-N 3.37Å
621I67.5Low66.6Low63 Ų6396.3 Ų96.332%0.32354%0.543SS..  trans-69116.7176.6-59.3160.4000109.1P619 Y682 I685 L689P619-I621 PolarHBondContact O-N 3.09Å; I621-Y682 HydrophobicContact CD1-CD2 3.8Å; I621-Y682 HydrophobicContact CD1-CE2 4.13Å; I621-Y682 HydrophobicContact CG1-CD2 4.23Å; I621-Y682 HydrophobicContact CG1-CE2 4.08Å; I621-I685 HydrophobicContact CD1-CB 3.98Å; I621-I685 HydrophobicContact CD1-CD1 4.06Å; I621-I685 HydrophobicContact CD1-CG2 3.8Å; I621-I685 HydrophobicContact CG2-CG2 4.11Å; I621-L689 HydrophobicContact CG2-CD1 3.92Å
622C53.1Low64.1Low101 Ų101101 Ų10168%0.68256%0.561SS**  trans-87.1114.417455.80000110.5S620 Q624S620-C622 PolarHBondContact O-N 3.37Å; C622-Q624 PolarHBondContact O-N 2.88Å; C622-Q624 VanDerWaalsContact O-N 3.14Å
623N48.1Very low61.4Low132 Ų132107.7 Ų107.771%0.70660%0.597SS**  trans-68.9110.3171.2-74.34.8000109.3S625N623-S625 PolarHBondContact O-N 3.17Å
624Q41.7Very low58.8Low177 Ų177110.2 Ų110.283%0.82763%0.629SS**  trans-74.870.2168.5-67.1-173.51.700110.1C622C622-Q624 PolarHBondContact O-N 2.88Å; C622-Q624 VanDerWaalsContact O-N 3.14Å
625S41.4Very low56.5Low86 Ų86113.2 Ų113.260%0.60163%0.634SS**  trans-138.657.2-179.867.70000111N623N623-S625 PolarHBondContact O-N 3.17Å
626N33.8Very low54Low166 Ų166116.2 Ų116.289%0.88864%0.644SS**  trans-132.776.3168.5-88-24.4000108.4
627V44.3Very low51.2Low126 Ų126121.5 Ų121.576%0.76468%0.678SS**  trans-129.5116.1162.91790000105.8
628D39.6Very low48.2Very low148 Ų148122.8 Ų122.879%0.79170%0.698SS**  trans30.9100.7157.2-46.5-26.8000118.2
629D42.8Very low45.5Very low167 Ų167125.7 Ų125.789%0.89372%0.723SS**  -161.6138.3117.9-126.4-25000113.8
630D41.1Very low43Very low143 Ų143131.8 Ų131.877%0.76575%0.752SS**  trans-95.9119.4174.5-115.8-39.1000108.8
631N42.2Very low40.9Very low114 Ų114132 Ų13261%0.6175%0.751SS**  trans153.7123.9132.2-86.5-81.2000116.4
632K41.8Very low39.3Very low162 Ų162135.6 Ų135.670%0.70478%0.776SS**  trans60.3112.5134.7-61.5179.8177.196.80121.6
633N39.8Very low38.4Very low162 Ų162138.2 Ų138.287%0.86678%0.783SS**  trans68.2121.3132.7-55.7-2.4000120.6
634G38.1Very low37.6Very low75 Ų75139.6 Ų139.677%0.77378%0.783SS**  trans16882.4160.600000116.8
635D38.7Very low37.2Very low143 Ų143139.3 Ų139.377%0.76579%0.786SS**  trans30.5112.4158.2-80.5-55.8000122.4
636N36.7Very low36.7Very low143 Ų143141.2 Ų141.277%0.76579%0.785SS**  51.9104.2123-70.7-52.4000120.7
637T35.7Very low36.7Very low146 Ų146141.5 Ų141.590%0.89679%0.786SS**  trans-150.5148.8132.2-7.50000112.5
638T31.1Very low36.2Very low139 Ų139144.5 Ų144.585%0.85379%0.789SS**  trans-65129.5-162.8-42.60000115.5
639S33.4Very low35.8Very low109 Ų109143 Ų14376%0.76279%0.79SS**  trans-121.1135.216661.20000111.7
640I34.4Very low35.4Very low156 Ų156144 Ų14480%0.879%0.789SS**PPolyproline II helixtrans-87.8132.9178-60.6173.8000109.2
641P32.5Very low35.1Very low113 Ų113141.4 Ų141.473%0.73478%0.782SS**PPolyproline II helixtrans-76.1134.7-17630-34.7000112.6
642V35.6Very low34.6Very low139 Ų139145 Ų14584%0.84280%0.795SS**PPolyproline II helixtrans-83136.4162.9178.40000108.3K644V642-K644 PolarHBondContact O-N 3.22Å; V642-K644 VanDerWaalsContact O-N 3.08Å
643N34.2Very low34Very low156 Ų156140.7 Ų140.783%0.83480%0.797SS**  trans-63.1111.5-173.8-84.3-20.3000112.7
644K30.1Very low33.7Very low161 Ų161139.8 Ų139.870%0.779%0.79SS**  trans-86.6105.7170.9-169-164.2-165-167.40109.2V642 E646V642-K644 PolarHBondContact O-N 3.22Å; V642-K644 VanDerWaalsContact O-N 3.08Å; K644-E646 HydrophobicContact CD-CG 3.93Å; K644-E646 WeakPolarHBondContact CE-OE1 3.39Å; K644-E646 HydrophobicContact CG-CG 4.06Å; K644-E646 IonicContact NZ-OE1 2.89Å; K644-E646 PolarHBondContact NZ-OE1 2.96Å
645L33.3Very low33.4Very low171 Ų171141.4 Ų141.490%0.89580%0.796SS**  trans-99.7102.2167.1-86.3166.2000109.1
646E32.3Very low33.4Very low126 Ų126140.6 Ų140.659%0.58979%0.787SS**  trans-79.4120.1176.8-65.9177.7136.200110.7K644 K648K644-E646 HydrophobicContact CD-CG 3.93Å; K644-E646 WeakPolarHBondContact CE-OE1 3.39Å; K644-E646 HydrophobicContact CG-CG 4.06Å; K644-E646 IonicContact NZ-OE1 2.89Å; K644-E646 PolarHBondContact NZ-OE1 2.96Å; E646-K648 PolarHBondContact O-N 2.97Å
647L33.2Very low33.4Very low173 Ų173139 Ų13991%0.90679%0.787SS**  trans-69.7108.9156.5-87.2160000108.1
648K33.5Very low33.8Very low189 Ų189137.8 Ų137.882%0.82278%0.78SS**  trans-76.2122166.6-72.3-171.9174.6-172.40109.1E646E646-K648 PolarHBondContact O-N 2.97Å
649S31.6Very low34.9Very low116 Ų116134.6 Ų134.681%0.81176%0.763SS**  trans-110.2111175.343.40000111.4
650E34.9Very low36.3Very low189 Ų189133.4 Ų133.488%0.88375%0.752SS**  trans-135.4137.4160.4-66.2176.3-171.600106.6
651S33.9Very low38.7Very low88 Ų88130 Ų13062%0.61573%0.732SS**  cis-162.3160.5-27.958.60000107.7
652H32.2Very low41.5Very low189 Ų189128.3 Ų128.388%0.87571%0.711SS**  trans67.2115.7175.8-51.481.5000116.7
653G29.7Very low44.4Very low72 Ų72121.7 Ų121.774%0.74267%0.671SS**SBendtrans145.3107.6168.500000113.9
654I33.1Very low47.3Very low142 Ų142115.8 Ų115.873%0.72864%0.641SS**  trans37.3101.8162.2-46.7180000116.6H656I654-H656 VanDerWaalsContact C-N 3.33Å; I654-H656 PolarHBondContact O-N 3.44Å
655A31.4Very low50.5Low109 Ų109108.4 Ų108.490%0.90161%0.609SS**  trans-74.575.4176.300000113.2S657A655-S657 PolarHBondContact O-N 3.38Å
656H37.6Very low53.6Low126 Ų126100.3 Ų100.358%0.58357%0.566SS**  trans-66.9129.1163.6-78.6-81.1000110.4I654 V658I654-H656 VanDerWaalsContact C-N 3.33Å; I654-H656 PolarHBondContact O-N 3.44Å; H656-V658 PolarHBondContact O-N 3.03Å
657S38.5Very low56.6Low109 Ų10994.3 Ų94.376%0.76254%0.538SS*.  trans-63.5103.9171.6-176.40000110.2A655 S659A655-S657 PolarHBondContact O-N 3.38Å; S657-S659 PolarHBondContact O-N 3.23Å; S657-S659 VanDerWaalsContact O-N 3.13Å
658V43.8Very low59.6Low122 Ų12286 Ų8674%0.73950%0.495SS*.  trans-79.391.4170.2-178.50000107.4H656 T660H656-V658 PolarHBondContact O-N 3.03Å; V658-T660 PolarHBondContact O-N 3.41Å
659S53Low62.4Low72 Ų7277.1 Ų77.150%0.50346%0.457SS..  trans-54107.8167.2177.40000109.2S657 H661S657-S659 PolarHBondContact O-N 3.23Å; S657-S659 VanDerWaalsContact O-N 3.13Å; S659-H661 VanDerWaalsContact C-N 3.27Å; S659-H661 WeakPolarHBondContact CB-NE2 3.34Å; S659-H661 PolarHBondContact O-CD2 3.09Å; S659-H661 PolarHBondContact O-N 3.21Å; S659-H661 PolarHBondContact OG-CD2 3.09Å; S659-H661 VanDerWaalsContact OG-CD2 3.25Å; S659-H661 PolarHBondContact OG-CE1 3.5Å; S659-H661 PolarHBondContact OG-NE2 3.22Å
660T63.6Low65.3Low84 Ų8475.2 Ų75.252%0.51543%0.432SS..  trans-82.676.4179.152.50000109.7V658 Y662V658-T660 PolarHBondContact O-N 3.41Å; T660-Y662 VanDerWaalsContact O-CD2 3.23Å; T660-Y662 WeakPolarHBondContact O-CD2 3.31Å; T660-Y662 WeakPolarHBondContact O-CE2 3.33Å; T660-Y662 PolarHBondContact O-N 3.01Å; T660-Y662 VanDerWaalsContact O-N 3.13Å; T660-Y662 PolarHBondContact OG1-OH 3.04Å
661H84.2Confident68.1Low85 Ų8572.8 Ų72.839%0.39441%0.414SS..  trans-54.9116.1175-67.4-90000110.9H583 R617 S659H583-H661 AromaticContact CE1-CG 3.61Å; H583-H661 AromaticContact CE1-ND1 3.24Å; H583-H661 PolarHBondContact CE1-ND1 2.57Å; H583-H661 AromaticContact NE2-CE1 3.93Å; H583-H661 AromaticContact NE2-CG 3.59Å; H583-H661 AromaticContact NE2-ND1 2.89Å; H583-H661 PolarHBondContact NE2-ND1 2.88Å; R617-H661 WeakPolarHBondContact CD-O 3.44Å; R617-H661 PolarHBondContact NH1-O 3.23Å; S659-H661 VanDerWaalsContact C-N 3.27Å; S659-H661 WeakPolarHBondContact CB-NE2 3.34Å; S659-H661 PolarHBondContact O-CD2 3.09Å; S659-H661 PolarHBondContact O-N 3.21Å; S659-H661 PolarHBondContact OG-CD2 3.09Å; S659-H661 VanDerWaalsContact OG-CD2 3.25Å; S659-H661 PolarHBondContact OG-CE1 3.5Å; S659-H661 PolarHBondContact OG-NE2 3.22Å
662Y92.7Very high70.8Confident76 Ų7671.2 Ų71.230%0.29841%0.412SS..  trans-94.4163.1-179.4-63.1-66.3000111.3H583 R617 L618 P619 T660 T664 H698H583-Y662 WeakPolarHBondContact CB-O 3.5Å; R617-Y662 HydrophobicContact CB-CD1 4.35Å; L618-Y662 VanDerWaalsContact C-CD1 3.5Å; P619-Y662 HydrophobicContact CB-CE1 4.39Å; P619-Y662 HydrophobicContact CB-CE2 4.31Å; P619-Y662 HydrophobicContact CG-CD1 4.16Å; P619-Y662 HydrophobicContact CG-CD2 3.83Å; P619-Y662 HydrophobicContact CG-CE1 4.21Å; P619-Y662 HydrophobicContact CG-CE2 3.87Å; P619-Y662 HydrophobicContact CG-CG 3.98Å; T660-Y662 VanDerWaalsContact O-CD2 3.23Å; T660-Y662 WeakPolarHBondContact O-CD2 3.31Å; T660-Y662 WeakPolarHBondContact O-CE2 3.33Å; T660-Y662 PolarHBondContact O-N 3.01Å; T660-Y662 VanDerWaalsContact O-N 3.13Å; T660-Y662 PolarHBondContact OG1-OH 3.04Å; Y662-T664 PolarHBondContact O-N 2.96Å; Y662-H698 WeakPolarHBondContact CB-NE2 3.41Å
663T95.4Very high73.7Confident0 Ų063.7 Ų63.70%038%0.38CS..  trans-75.6107.9178.2-60.10000110.5H583 T585 L616 R617 H665 H698 L700H583-T663 CarbonylContact O-C 3.59Å; T585-T663 WeakPolarHBondContact OG1-CG2 3.33Å; T585-T663 PolarHBondContact OG1-OG1 2.76Å; L616-T663 HydrophobicContact CD1-CG2 3.77Å; R617-T663 PolarHBondContact N-OG1 3.36Å; R617-T663 WeakPolarHBondContact O-CB 3.11Å; R617-T663 PolarHBondContact O-N 3.14Å; T663-H665 WeakPolarHBondContact CG2-O 3.43Å; T663-H698 PolarHBondContact O-CE1 3.37Å; T663-H698 PolarHBondContact O-NE2 2.9Å; T663-L700 HydrophobicContact CG2-CD1 4.26Å; T663-L700 WeakPolarHBondContact O-CD1 3.23Å
664T95.4Very high76.7Confident32 Ų3268.4 Ų68.420%0.19638%0.383CS..SBendtrans-73.1-29.5169.4600000112.9H583 Y662 L700 H701H583-T664 HydrophobicContact CB-CG2 4.31Å; H583-T664 PolarHBondContact N-OG1 3.24Å; H583-T664 PolarHBondContact O-N 3.27Å; H583-T664 PolarHBondContact O-OG1 3.38Å; Y662-T664 PolarHBondContact O-N 2.96Å; T664-L700 CarbonylContact O-C 3.57Å; T664-L700 WeakPolarHBondContact O-CA 3.22Å; T664-H701 PolarHBondContact O-N 2.78Å
665H97.3Very high79.7Confident7 Ų764.4 Ų64.43%0.03236%0.36CS..EExtended strand (participates in β ladder)trans-133.5118.7-171-78.682.2000111.8H583 I584 T585 T663 H701 W707 E720H583-H665 PolarHBondContact O-N 2.91Å; I584-H665 CarbonylContact C-O 3.45Å; I584-H665 WeakPolarHBondContact CA-O 3.26Å; I584-H665 HydrophobicContact CG1-CB 3.65Å; T585-H665 PolarHBondContact N-O 2.84Å; T663-H665 WeakPolarHBondContact CG2-O 3.43Å; H665-H701 AromaticContact NE2-CG 3.89Å; H665-W707 AromaticContact CD2-CH2 3.34Å; H665-W707 WeakPolarHBondContact CD2-CH2 3.4Å; H665-W707 AromaticContact CD2-CZ2 3.47Å; H665-W707 VanDerWaalsContact CD2-CZ2 3.47Å; H665-W707 WeakPolarHBondContact CD2-CZ2 3.44Å; H665-W707 AromaticContact CD2-CZ3 3.9Å; H665-W707 AromaticContact CG-CH2 3.88Å; H665-W707 AromaticContact NE2-CH2 3.63Å; H665-W707 AromaticContact NE2-CZ2 3.34Å; H665-W707 VanDerWaalsContact NE2-CZ2 3.34Å; H665-W707 WeakPolarHBondContact NE2-CZ2 3.43Å; H665-E720 WeakPolarHBondContact NE2-CG 3.45Å; H665-E720 IonicContact NE2-OE1 3.77Å
666L97.4Very high82.8Confident0 Ų059.3 Ų59.30%032%0.317CS..EExtended strand (participates in β ladder)trans-103.4104.8169.2178.458.4000109.5T585 L616 K675 V676 A679 L700 H701 L702 V703T585-L666 HydrophobicContact CG2-CD1 4.22Å; T585-L666 WeakPolarHBondContact O-CD1 3.47Å; L616-L666 HydrophobicContact CD1-CD2 4.47Å; L616-L666 HydrophobicContact CD2-CD2 4.33Å; L666-K675 HydrophobicContact CD1-CB 4.13Å; L666-K675 HydrophobicContact CD1-CD 4.39Å; L666-K675 HydrophobicContact CD2-CB 4.19Å; L666-K675 WeakPolarHBondContact CD2-O 3.47Å; L666-V676 HydrophobicContact CD2-CG2 4.07Å; L666-A679 HydrophobicContact CD2-CB 3.48Å; L666-A679 VanDerWaalsContact CD2-CB 3.48Å; L666-L700 HydrophobicContact CB-CD1 4.43Å; L666-H701 PolarHBondContact N-O 3.11Å; L666-L702 HydrophobicContact CB-CD1 4.35Å; L666-L702 HydrophobicContact CD2-CD1 4.07Å; L666-L702 HydrophobicContact CG-CD1 4.08Å; L666-V703 PolarHBondContact O-N 2.82Å; L666-V703 VanDerWaalsContact O-N 3.09Å
667I97.1Very high85.5Confident0 Ų058.4 Ų58.40%031%0.313CS..EExtended strand (participates in β ladder)trans-94119.4178.1-44.6173.9000107.8I584 T585 L586 S587 L589 V703 P705 W707 L708I584-I667 HydrophobicContact CB-CD1 4.47Å; I584-I667 HydrophobicContact CD1-CD1 4.09Å; I584-I667 HydrophobicContact CG1-CD1 4.18Å; I584-I667 HydrophobicContact CG2-CD1 3.46Å; I584-I667 VanDerWaalsContact CG2-CD1 3.46Å; I584-I667 HydrophobicContact CG2-CG1 4.05Å; T585-I667 PolarHBondContact O-N 2.84Å; L586-I667 CarbonylContact C-O 3.57Å; L586-I667 HydrophobicContact CD2-CB 4.1Å; L586-I667 HydrophobicContact CD2-CD1 3.99Å; L586-I667 HydrophobicContact CD2-CG1 4.48Å; S587-I667 PolarHBondContact N-O 2.96Å; L589-I667 HydrophobicContact CD1-CB 4.28Å; L589-I667 HydrophobicContact CD1-CG2 3.63Å; I667-V703 HydrophobicContact CB-CG2 4.27Å; I667-V703 HydrophobicContact CG1-CG2 3.89Å; I667-V703 HydrophobicContact CG2-CG2 4.29Å; I667-P705 HydrophobicContact CG2-CB 4.49Å; I667-W707 HydrophobicContact CD1-CE3 4.01Å; I667-W707 HydrophobicContact CD1-CZ3 3.8Å; I667-W707 HydrophobicContact CG1-CE3 4.24Å; I667-W707 HydrophobicContact CG1-CZ3 4.24Å; I667-L708 HydrophobicContact CD1-CB 4.12Å; I667-L708 HydrophobicContact CD1-CD1 4.24Å; I667-L708 HydrophobicContact CD1-CD2 3.97Å; I667-L708 HydrophobicContact CD1-CG 4.33Å
668A95.7Very high88.2Confident0 Ų055.2 Ų55.20%029%0.294CS..EExtended strand (participates in β ladder)trans-133.1136.4-169.800000113.3S587 V676 L702 V703 P705 L725S587-A668 CarbonylContact O-C 3.59Å; S587-A668 WeakPolarHBondContact O-CA 3.15Å; A668-V676 HydrophobicContact CB-CG2 3.54Å; A668-L702 HydrophobicContact CB-CD1 4.37Å; A668-V703 PolarHBondContact N-O 3.32Å; A668-V703 VanDerWaalsContact N-O 3.08Å; A668-P705 WeakPolarHBondContact O-CD 3.37Å; A668-L725 HydrophobicContact CB-CD1 4.42Å; A668-L725 HydrophobicContact CB-CD2 3.85Å; A668-L725 WeakPolarHBondContact O-CD1 3.37Å
669C92.2Very high90.6Very high1 Ų149.4 Ų49.41%0.00726%0.258CS..SBendtrans-79.2-24.2169.2-70.30000113.2S587 L589 D728 F729S587-C669 PolarHBondContact O-N 2.93Å; L589-C669 WeakPolarHBondContact CD2-SG 3.23Å; L589-C669 WeakPolarHBondContact CG-SG 3.4Å; C669-D728 CarbonylContact O-C 3.6Å; C669-D728 WeakPolarHBondContact O-CA 3.46Å; C669-F729 PolarHBondContact O-N 2.76Å
670R93.2Very high92.5Very high76 Ų7649.8 Ų49.829%0.28725%0.254SS..  trans-141138.4-169.4-61.8-173.2-168.2150.57.4113.1T673 D728R670-T673 HydrophobicContact CB-CG2 4.04Å; R670-D728 WeakPolarHBondContact CA-OD1 3.46Å; R670-D728 WeakPolarHBondContact CB-OD1 3.38Å; R670-D728 HydrophobicContact CG-CB 4.21Å
671R93.7Very high93.8Very high138 Ų13852.6 Ų52.652%0.52126%0.259SS..THydrogen-bonded Turntrans-69.4-34-177.4-66.5176.367.7-178.6-1.5112.7T673 V676 L725 D726 D728R671-T673 VanDerWaalsContact C-N 3.32Å; R671-T673 PolarHBondContact O-N 2.97Å; R671-V676 VanDerWaalsContact O-CG1 3.26Å; R671-V676 WeakPolarHBondContact O-CG1 3.33Å; R671-L725 HydrophobicContact CB-CD2 4.41Å; R671-L725 WeakPolarHBondContact CD-O 3.35Å; R671-L725 HydrophobicContact CG-CD2 3.78Å; R671-L725 HydrophobicContact CG-CG 3.69Å; R671-D726 WeakPolarHBondContact CD-O 3.39Å; R671-D726 PolarHBondContact NH1-O 2.88Å; R671-D728 PolarHBondContact N-OD1 3.41Å
672G90.6Very high94.2Very high56 Ų5649.3 Ų49.358%0.57724%0.244SC*.THydrogen-bonded Turntrans-83.117.2-175.300000116.7H677G672-H677 PolarHBondContact O-CE1 3.45Å
673T92.2Very high94Very high30 Ų3047.5 Ų47.518%0.18424%0.239CC..SBendtrans-86.8150.6-178.969.80000112.2S587 R670 R671 K675 V676 H677S587-T673 WeakPolarHBondContact OG-CB 3.13Å; S587-T673 PolarHBondContact OG-OG1 2.8Å; R670-T673 HydrophobicContact CB-CG2 4.04Å; R671-T673 VanDerWaalsContact C-N 3.32Å; R671-T673 PolarHBondContact O-N 2.97Å; T673-K675 VanDerWaalsContact C-N 3.25Å; T673-K675 PolarHBondContact O-N 3.33Å; T673-V676 PolarHBondContact O-N 2.7Å; T673-V676 VanDerWaalsContact OG1-CG2 3.3Å; T673-V676 WeakPolarHBondContact OG1-CG2 3.46Å; T673-V676 PolarHBondContact OG1-N 2.68Å; T673-H677 PolarHBondContact O-N 3.35Å
674E93.7Very high93.6Very high172 Ų17251.3 Ų51.380%0.80426%0.262SS*.Hα-helixtrans-57.8-37178.3-62.7-177.7168.500112.8H677 A678E674-H677 PolarHBondContact O-N 2.85Å; E674-A678 VanDerWaalsContact O-CB 3.31Å; E674-A678 WeakPolarHBondContact O-CB 3.43Å; E674-A678 PolarHBondContact O-N 3.35Å
675K94.9Very high93.1Very high58 Ų5852.8 Ų52.825%0.25227%0.268SS..Hα-helixtrans-61.2-44.5173.9-65.1-170.4179.7-172.90111.2T585 L586 A614 L616 L666 T673 A678 A679T585-K675 HydrophobicContact CG2-CD 3.96Å; L586-K675 PolarHBondContact O-NZ 3.27Å; A614-K675 PolarHBondContact O-NZ 2.98Å; L616-K675 HydrophobicContact CB-CD 4.49Å; L616-K675 HydrophobicContact CB-CG 4.38Å; L616-K675 HydrophobicContact CD2-CB 4.2Å; L616-K675 WeakPolarHBondContact CD2-O 3.37Å; L666-K675 HydrophobicContact CD1-CB 4.13Å; L666-K675 HydrophobicContact CD1-CD 4.39Å; L666-K675 HydrophobicContact CD2-CB 4.19Å; L666-K675 WeakPolarHBondContact CD2-O 3.47Å; T673-K675 VanDerWaalsContact C-N 3.25Å; T673-K675 PolarHBondContact O-N 3.33Å; K675-A678 PolarHBondContact O-N 2.79Å; K675-A679 WeakPolarHBondContact O-CB 3.49Å; K675-A679 PolarHBondContact O-N 3.47Å
676V96Very high92.2Very high1 Ų153.5 Ų53.51%0.00627%0.272CS..Hα-helixtrans-69-42.8178.9172.90000111.4L666 A668 R671 T673 A678 A679 L680 L702 L725L666-V676 HydrophobicContact CD2-CG2 4.07Å; A668-V676 HydrophobicContact CB-CG2 3.54Å; R671-V676 VanDerWaalsContact O-CG1 3.26Å; R671-V676 WeakPolarHBondContact O-CG1 3.33Å; T673-V676 PolarHBondContact O-N 2.7Å; T673-V676 VanDerWaalsContact OG1-CG2 3.3Å; T673-V676 WeakPolarHBondContact OG1-CG2 3.46Å; T673-V676 PolarHBondContact OG1-N 2.68Å; V676-A678 VanDerWaalsContact C-N 3.31Å; V676-A678 PolarHBondContact O-N 2.96Å; V676-A679 PolarHBondContact O-N 3.29Å; V676-L680 HydrophobicContact CG1-CD1 3.76Å; V676-L680 HydrophobicContact CG1-CG 4.16Å; V676-L680 WeakPolarHBondContact O-CB 3.46Å; V676-L680 WeakPolarHBondContact O-CG 3.22Å; V676-L680 PolarHBondContact O-N 3.09Å; V676-L702 HydrophobicContact CG1-CD1 4.34Å; V676-L702 HydrophobicContact CG1-CD2 3.99Å; V676-L702 HydrophobicContact CG2-CD1 3.97Å; V676-L725 HydrophobicContact CG1-CD2 4.12Å; V676-L725 HydrophobicContact CG2-CD2 3.99Å
677H95Very high91.1Very high107 Ų10757.2 Ų57.250%0.49529%0.292SS..Hα-helixtrans-60.3-38.9173.8-64.6153.5000112.6G672 T673 E674 K681G672-H677 PolarHBondContact O-CE1 3.45Å; T673-H677 PolarHBondContact O-N 3.35Å; E674-H677 PolarHBondContact O-N 2.85Å; H677-K681 VanDerWaalsContact O-CB 3.29Å; H677-K681 WeakPolarHBondContact O-CB 3.41Å; H677-K681 PolarHBondContact O-N 2.89Å
678A94.7Very high89.6Confident43 Ų4362 Ų6236%0.35532%0.318SS..Hα-helixtrans-67.3-42.8175.500000112.5L616 E674 K675 V676 K681 Y682L616-A678 HydrophobicContact CD2-CB 3.98Å; E674-A678 VanDerWaalsContact O-CB 3.31Å; E674-A678 WeakPolarHBondContact O-CB 3.43Å; E674-A678 PolarHBondContact O-N 3.35Å; K675-A678 PolarHBondContact O-N 2.79Å; V676-A678 VanDerWaalsContact C-N 3.31Å; V676-A678 PolarHBondContact O-N 2.96Å; A678-K681 PolarHBondContact O-N 3.09Å; A678-Y682 WeakPolarHBondContact O-CB 3.48Å; A678-Y682 PolarHBondContact O-N 2.89Å
679A94.3Very high87.9Confident0 Ų065.6 Ų65.60%034%0.337CS..Hα-helixtrans-64.1-48.1175.700000112.5L616 L666 K675 V676 K681 Y682 L683 L700L616-A679 HydrophobicContact CD2-CB 4.34Å; L666-A679 HydrophobicContact CD2-CB 3.48Å; L666-A679 VanDerWaalsContact CD2-CB 3.48Å; K675-A679 WeakPolarHBondContact O-CB 3.49Å; K675-A679 PolarHBondContact O-N 3.47Å; V676-A679 PolarHBondContact O-N 3.29Å; A679-K681 VanDerWaalsContact C-N 3.3Å; A679-K681 PolarHBondContact O-N 2.95Å; A679-Y682 WeakPolarHBondContact O-CB 3.35Å; A679-Y682 PolarHBondContact O-N 3.09Å; A679-Y682 VanDerWaalsContact O-N 3.11Å; A679-L683 WeakPolarHBondContact O-CG 3.34Å; A679-L683 PolarHBondContact O-N 3.41Å; A679-L700 HydrophobicContact CB-CD2 3.76Å
680L93.3Very high86.2Confident79 Ų7969.5 Ų69.541%0.41436%0.355SS..Hα-helixtrans-60.5-39.3176.6-72172.3000111.8V676 T684 L702V676-L680 HydrophobicContact CG1-CD1 3.76Å; V676-L680 HydrophobicContact CG1-CG 4.16Å; V676-L680 WeakPolarHBondContact O-CB 3.46Å; V676-L680 WeakPolarHBondContact O-CG 3.22Å; V676-L680 PolarHBondContact O-N 3.09Å; L680-T684 VanDerWaalsContact O-CB 3.31Å; L680-T684 WeakPolarHBondContact O-CB 3.43Å; L680-T684 PolarHBondContact O-N 3.28Å; L680-T684 PolarHBondContact O-OG1 3.05Å; L680-L702 HydrophobicContact CD2-CD2 3.65Å; L680-L702 HydrophobicContact CG-CD2 3.95Å
681K91.7Very high84.5Confident144 Ų14472.9 Ų72.963%0.62638%0.378SS*.Hα-helixtrans-65.1-41.5173.7-178.4179.2177.5-176.70111.9H677 A678 A679 I685H677-K681 VanDerWaalsContact O-CB 3.29Å; H677-K681 WeakPolarHBondContact O-CB 3.41Å; H677-K681 PolarHBondContact O-N 2.89Å; A678-K681 PolarHBondContact O-N 3.09Å; A679-K681 VanDerWaalsContact C-N 3.3Å; A679-K681 PolarHBondContact O-N 2.95Å; K681-I685 HydrophobicContact CG-CD1 3.92Å; K681-I685 WeakPolarHBondContact O-CD1 3.42Å; K681-I685 VanDerWaalsContact O-CG1 3.27Å; K681-I685 WeakPolarHBondContact O-CG1 3.4Å; K681-I685 PolarHBondContact O-N 3.32Å; K681-I685 VanDerWaalsContact O-N 3.1Å
682Y91.5Very high82.6Confident15 Ų1572.1 Ų72.16%0.05938%0.384CS..Hα-helixtrans-62.7-50.8177175.3-93000111.5L618 P619 I621 A678 A679 T684 I685 N686 L700L618-Y682 HydrophobicContact CB-CD2 4.15Å; L618-Y682 HydrophobicContact CB-CE2 4.47Å; L618-Y682 HydrophobicContact CD1-CD2 4.43Å; L618-Y682 HydrophobicContact CD1-CG 4.19Å; L618-Y682 HydrophobicContact CD2-CD1 4.13Å; L618-Y682 HydrophobicContact CD2-CD2 4.48Å; L618-Y682 HydrophobicContact CD2-CG 4.09Å; P619-Y682 HydrophobicContact CB-CE2 4.29Å; P619-Y682 HydrophobicContact CG-CE2 4.36Å; P619-Y682 WeakPolarHBondContact CG-OH 3.36Å; I621-Y682 HydrophobicContact CD1-CD2 3.8Å; I621-Y682 HydrophobicContact CD1-CE2 4.13Å; I621-Y682 HydrophobicContact CG1-CD2 4.23Å; I621-Y682 HydrophobicContact CG1-CE2 4.08Å; A678-Y682 WeakPolarHBondContact O-CB 3.48Å; A678-Y682 PolarHBondContact O-N 2.89Å; A679-Y682 WeakPolarHBondContact O-CB 3.35Å; A679-Y682 PolarHBondContact O-N 3.09Å; A679-Y682 VanDerWaalsContact O-N 3.11Å; Y682-T684 PolarHBondContact O-N 3.03Å; Y682-I685 PolarHBondContact O-N 2.89Å; Y682-N686 HydrophobicContact CE1-CB 4.38Å; Y682-N686 VanDerWaalsContact O-CB 3.28Å; Y682-N686 WeakPolarHBondContact O-CB 3.28Å; Y682-N686 PolarHBondContact O-N 3.25Å; Y682-L700 HydrophobicContact CD1-CD2 3.82Å
683L89.1Confident80.6Confident38 Ų3873.7 Ų73.720%0.19938%0.379CS..Hα-helixtrans-55.1-53.5175.2-71.4169.8000111A679 I685 N686 D687 L700A679-L683 WeakPolarHBondContact O-CG 3.34Å; A679-L683 PolarHBondContact O-N 3.41Å; L683-I685 PolarHBondContact O-N 2.91Å; L683-I685 VanDerWaalsContact O-N 3.13Å; L683-N686 CarbonylContact O-C 3.57Å; L683-N686 WeakPolarHBondContact O-CA 3.37Å; L683-N686 PolarHBondContact O-N 3.05Å; L683-D687 PolarHBondContact O-N 3.5Å; L683-L700 HydrophobicContact CD2-CB 4.11Å; L683-L700 HydrophobicContact CG-CD2 4.28Å
684T87.6Confident78.6Confident81 Ų8180.9 Ų80.950%0.49742%0.416SS..Hα-helixtrans-53.2-39.9178.4-55.10000112.8L680 Y682 N688L680-T684 VanDerWaalsContact O-CB 3.31Å; L680-T684 WeakPolarHBondContact O-CB 3.43Å; L680-T684 PolarHBondContact O-N 3.28Å; L680-T684 PolarHBondContact O-OG1 3.05Å; Y682-T684 PolarHBondContact O-N 3.03Å; T684-N688 PolarHBondContact O-ND2 3.32Å
685I83.9Confident76.6Confident62 Ų6276.9 Ų76.932%0.31841%0.407SS..Hα-helixtrans-75.2-39.8177.2-62162.2000110.9I621 K681 Y682 L683 N688 L689I621-I685 HydrophobicContact CD1-CB 3.98Å; I621-I685 HydrophobicContact CD1-CD1 4.06Å; I621-I685 HydrophobicContact CD1-CG2 3.8Å; I621-I685 HydrophobicContact CG2-CG2 4.11Å; K681-I685 HydrophobicContact CG-CD1 3.92Å; K681-I685 WeakPolarHBondContact O-CD1 3.42Å; K681-I685 VanDerWaalsContact O-CG1 3.27Å; K681-I685 WeakPolarHBondContact O-CG1 3.4Å; K681-I685 PolarHBondContact O-N 3.32Å; K681-I685 VanDerWaalsContact O-N 3.1Å; Y682-I685 PolarHBondContact O-N 2.89Å; L683-I685 PolarHBondContact O-N 2.91Å; L683-I685 VanDerWaalsContact O-N 3.13Å; I685-N688 PolarHBondContact O-N 3.1Å; I685-L689 HydrophobicContact CG2-CD1 3.96Å; I685-L689 HydrophobicContact CG2-CG 4.49Å; I685-L689 WeakPolarHBondContact O-CG 3.15Å; I685-L689 PolarHBondContact O-N 2.85Å; I685-L689 VanDerWaalsContact O-N 3.12Å
686N78.3Confident74.7Confident22 Ų2280.1 Ų80.112%0.11844%0.438CS..Hα-helixtrans-66-38.7-179.3-170.955.3000112.5Y682 L683 N688 L689 Q690Y682-N686 HydrophobicContact CE1-CB 4.38Å; Y682-N686 VanDerWaalsContact O-CB 3.28Å; Y682-N686 WeakPolarHBondContact O-CB 3.28Å; Y682-N686 PolarHBondContact O-N 3.25Å; L683-N686 CarbonylContact O-C 3.57Å; L683-N686 WeakPolarHBondContact O-CA 3.37Å; L683-N686 PolarHBondContact O-N 3.05Å; N686-N688 VanDerWaalsContact C-N 3.35Å; N686-N688 PolarHBondContact O-N 3.18Å; N686-L689 CarbonylContact O-C 3.58Å; N686-L689 PolarHBondContact O-N 3.02Å; N686-Q690 PolarHBondContact ND2-NE2 2.57Å; N686-Q690 WeakPolarHBondContact O-CG 3.24Å; N686-Q690 PolarHBondContact O-N 3.08Å
687D75.7Confident73.2Confident79 Ų7982.6 Ų82.642%0.42246%0.455SS..Hα-helixtrans-64.1-41.2176.1-57-23.7000111L683 L689 Q690 L691L683-D687 PolarHBondContact O-N 3.5Å; D687-L689 PolarHBondContact O-N 3.45Å; D687-Q690 PolarHBondContact O-N 3.07Å; D687-L691 WeakPolarHBondContact O-CG 3.42Å; D687-L691 PolarHBondContact O-N 2.84Å
688N65.1Low72.3Confident100 Ų10079.3 Ų79.354%0.53544%0.44SS..Hα-helixtrans-66.2-20.7172.4-79.6-76.7000113.3T684 I685 N686 N692T684-N688 PolarHBondContact O-ND2 3.32Å; I685-N688 PolarHBondContact O-N 3.1Å; N686-N688 VanDerWaalsContact C-N 3.35Å; N686-N688 PolarHBondContact O-N 3.18Å; N688-N692 PolarHBondContact O-ND2 3.22Å
689L59.8Low71.7Confident75 Ų7580.5 Ų80.539%0.39345%0.445SS..Hα-helixtrans-91-36.4176.4-71.4170000112.8I621 I685 N686 D687 L691 N692 N693I621-L689 HydrophobicContact CG2-CD1 3.92Å; I685-L689 HydrophobicContact CG2-CD1 3.96Å; I685-L689 HydrophobicContact CG2-CG 4.49Å; I685-L689 WeakPolarHBondContact O-CG 3.15Å; I685-L689 PolarHBondContact O-N 2.85Å; I685-L689 VanDerWaalsContact O-N 3.12Å; N686-L689 CarbonylContact O-C 3.58Å; N686-L689 PolarHBondContact O-N 3.02Å; D687-L689 PolarHBondContact O-N 3.45Å; L689-L691 VanDerWaalsContact C-N 3.29Å; L689-L691 PolarHBondContact O-N 3.25Å; L689-N692 CarbonylContact O-C 3.59Å; L689-N692 WeakPolarHBondContact O-CA 3.49Å; L689-N692 PolarHBondContact O-N 3.16Å; L689-N693 PolarHBondContact O-N 3.19Å; L689-N693 VanDerWaalsContact O-N 3.09Å
690Q56.7Low71.7Confident84 Ų8480.9 Ų80.939%0.39345%0.447SS..Hα-helixtrans-61.2-37174.7-76.7178.174.500111.9N686 D687 N692 N693 S697N686-Q690 PolarHBondContact ND2-NE2 2.57Å; N686-Q690 WeakPolarHBondContact O-CG 3.24Å; N686-Q690 PolarHBondContact O-N 3.08Å; D687-Q690 PolarHBondContact O-N 3.07Å; Q690-N692 PolarHBondContact O-N 3.34Å; Q690-N693 PolarHBondContact O-N 2.95Å; Q690-S697 PolarHBondContact OE1-OG 2.78Å
691L57.8Low71.8Confident146 Ų14679.4 Ų79.476%0.76444%0.438SS*.THydrogen-bonded Turntrans-59.8-11.4171-73.3168.8000114.3D687 L689D687-L691 WeakPolarHBondContact O-CG 3.42Å; D687-L691 PolarHBondContact O-N 2.84Å; L689-L691 VanDerWaalsContact C-N 3.29Å; L689-L691 PolarHBondContact O-N 3.25Å
692N52.1Low72Confident122 Ų12274.2 Ų74.265%0.65242%0.417SS*.THydrogen-bonded Turntrans-121.4-14.9-175.4-71.9-73.1000114.6N688 L689 Q690N688-N692 PolarHBondContact O-ND2 3.22Å; L689-N692 CarbonylContact O-C 3.59Å; L689-N692 WeakPolarHBondContact O-CA 3.49Å; L689-N692 PolarHBondContact O-N 3.16Å; Q690-N692 PolarHBondContact O-N 3.34Å
693N49.6Very low72.3Confident89 Ų8973.5 Ų73.548%0.47641%0.414SS..  trans-151.2130.3-179.2-76.9-77.9000113.2L689 Q690 S695L689-N693 PolarHBondContact O-N 3.19Å; L689-N693 VanDerWaalsContact O-N 3.09Å; Q690-N693 PolarHBondContact O-N 2.95Å; N693-S695 PolarHBondContact O-N 3.26Å
694N50.7Low72.6Confident181 Ų18171.7 Ų71.797%0.96841%0.405SS*.  trans-74.333.8174.5-73-0.6000114.1
695S51.6Low73Confident88 Ų8867.9 Ų67.962%0.61538%0.381SS*.SBendtrans-88.8131.8178.6-66.50000110.1N693 S697N693-S695 PolarHBondContact O-N 3.26Å; S695-S697 PolarHBondContact O-N 3.46Å
696S54.7Low73.6Confident127 Ų12768.2 Ų68.289%0.88838%0.382SS*.  trans-52.8102.1-175.856.90000112.7
697S63.2Low74.4Confident52 Ų5267.2 Ų67.236%0.36438%0.376SS..  trans-77.7136.5-17754.50000111.8Q690 S695 S699Q690-S697 PolarHBondContact OE1-OG 2.78Å; S695-S697 PolarHBondContact O-N 3.46Å; S697-S699 PolarHBondContact O-N 3.2Å
698H76.1Confident75.5Confident39 Ų3963.4 Ų63.418%0.18136%0.356CS..  trans-63.4114.7171.3165.4-70.3000110.4P619 Y662 T663P619-H698 HydrophobicContact CG-CB 3.9Å; Y662-H698 WeakPolarHBondContact CB-NE2 3.41Å; T663-H698 PolarHBondContact O-CE1 3.37Å; T663-H698 PolarHBondContact O-NE2 2.9Å
699S83.9Confident76.9Confident67 Ų6759.2 Ų59.247%0.46933%0.333SS..  trans-71.3134.1174.4-161.10000111.4S697 H701S697-S699 PolarHBondContact O-N 3.2Å; S699-H701 PolarHBondContact OG-CD2 2.9Å; S699-H701 PolarHBondContact OG-NE2 3.29Å
700L93.6Very high78.5Confident8 Ų856.6 Ų56.64%0.04232%0.321CS..  trans-131.8108.3176.1172.467.4000109.1L618 T663 T664 L666 A679 Y682 L683L618-L700 HydrophobicContact CD2-CD1 4.4Å; L618-L700 HydrophobicContact CD2-CD2 3.6Å; T663-L700 HydrophobicContact CG2-CD1 4.26Å; T663-L700 WeakPolarHBondContact O-CD1 3.23Å; T664-L700 CarbonylContact O-C 3.57Å; T664-L700 WeakPolarHBondContact O-CA 3.22Å; L666-L700 HydrophobicContact CB-CD1 4.43Å; A679-L700 HydrophobicContact CB-CD2 3.76Å; Y682-L700 HydrophobicContact CD1-CD2 3.82Å; L683-L700 HydrophobicContact CD2-CB 4.11Å; L683-L700 HydrophobicContact CG-CD2 4.28Å
701H95.4Very high80.5Confident48 Ų4852.6 Ų52.622%0.22230%0.302CS..EExtended strand (participates in β ladder)trans-91.1126.7-179.6-57.5-106.4000109.3T664 H665 L666 S699 V703 E720T664-H701 PolarHBondContact O-N 2.78Å; H665-H701 AromaticContact NE2-CG 3.89Å; L666-H701 PolarHBondContact N-O 3.11Å; S699-H701 PolarHBondContact OG-CD2 2.9Å; S699-H701 PolarHBondContact OG-NE2 3.29Å; H701-V703 HydrophobicContact CB-CG1 4.43Å; H701-E720 HydrophobicContact CB-CB 4.17Å; H701-E720 HydrophobicContact CB-CG 4.02Å; H701-E720 IonicContact CE1-OE1 3.98Å; H701-E720 PolarHBondContact CE1-OE1 3.36Å; H701-E720 VanDerWaalsContact CE1-OE1 3.3Å; H701-E720 IonicContact CE1-OE2 3.85Å; H701-E720 IonicContact CG-OE1 3.65Å; H701-E720 VanDerWaalsContact ND1-CD 3.31Å; H701-E720 WeakPolarHBondContact ND1-CG 3.38Å; H701-E720 IonicContact ND1-OE1 3.89Å; H701-E720 PolarHBondContact ND1-OE1 3.5Å; H701-E720 IonicContact ND1-OE2 2.61Å; H701-E720 IonicContact NE2-OE1 3.43Å
702L96.2Very high82.3Confident35 Ų3546 Ų4618%0.18327%0.267CS..EExtended strand (participates in β ladder)trans-106.6104.2175.5171.860000108.9L666 A668 V676 L680 L725L666-L702 HydrophobicContact CB-CD1 4.35Å; L666-L702 HydrophobicContact CD2-CD1 4.07Å; L666-L702 HydrophobicContact CG-CD1 4.08Å; A668-L702 HydrophobicContact CB-CD1 4.37Å; V676-L702 HydrophobicContact CG1-CD1 4.34Å; V676-L702 HydrophobicContact CG1-CD2 3.99Å; V676-L702 HydrophobicContact CG2-CD1 3.97Å; L680-L702 HydrophobicContact CD2-CD2 3.65Å; L680-L702 HydrophobicContact CG-CD2 3.95Å; L702-L725 HydrophobicContact CD1-CB 4.48Å; L702-L725 HydrophobicContact CD1-CD2 4.08Å; L702-L725 HydrophobicContact CG-CB 4.24Å
703V97Very high84.3Confident1 Ų141.6 Ų41.61%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-120.5152.4-169.9-64.50000112.6L666 I667 A668 H701 W707 E720 Y723L666-V703 PolarHBondContact O-N 2.82Å; L666-V703 VanDerWaalsContact O-N 3.09Å; I667-V703 HydrophobicContact CB-CG2 4.27Å; I667-V703 HydrophobicContact CG1-CG2 3.89Å; I667-V703 HydrophobicContact CG2-CG2 4.29Å; A668-V703 PolarHBondContact N-O 3.32Å; A668-V703 VanDerWaalsContact N-O 3.08Å; H701-V703 HydrophobicContact CB-CG1 4.43Å; V703-W707 HydrophobicContact CB-CB 3.94Å; V703-W707 HydrophobicContact CB-CG 4.16Å; V703-W707 HydrophobicContact CG1-CB 4.41Å; V703-W707 HydrophobicContact CG1-CG 4.18Å; V703-W707 HydrophobicContact CG2-CB 4.06Å; V703-W707 HydrophobicContact CG2-CD2 4.01Å; V703-W707 HydrophobicContact CG2-CE3 3.87Å; V703-W707 HydrophobicContact CG2-CG 4.11Å; V703-E720 HydrophobicContact CG1-CB 3.8Å; V703-E720 HydrophobicContact CG1-CG 4.48Å; V703-Y723 CarbonylContact C-O 3.59Å; V703-Y723 VanDerWaalsContact CA-O 3.3Å; V703-Y723 WeakPolarHBondContact CA-O 3.45Å
704S96.7Very high86.4Confident0 Ų039 Ų390%023%0.226CC..  trans-68.9165.3165.583.40000110.7Q706 W707 Y723S704-Q706 PolarHBondContact O-N 3.26Å; S704-Q706 WeakPolarHBondContact OG-CB 3.28Å; S704-Q706 PolarHBondContact OG-N 2.97Å; S704-Q706 PolarHBondContact OG-OE1 2.84Å; S704-Q706 VanDerWaalsContact OG-OE1 3.06Å; S704-W707 PolarHBondContact O-N 2.99Å; S704-Y723 PolarHBondContact N-O 3.32Å
705P95.7Very high88.6Confident0 Ų030.7 Ų30.70%018%0.182CC..THydrogen-bonded Turntrans-65.6-24.6178.6-19.234000113.1L589 I667 A668 W707 L708 W709 F734L589-P705 HydrophobicContact CD1-CB 4.05Å; L589-P705 HydrophobicContact CD1-CG 4.23Å; L589-P705 HydrophobicContact CD2-CB 3.92Å; L589-P705 HydrophobicContact CD2-CG 4.04Å; L589-P705 HydrophobicContact CG-CB 4.43Å; L589-P705 HydrophobicContact CG-CG 4.32Å; I667-P705 HydrophobicContact CG2-CB 4.49Å; A668-P705 WeakPolarHBondContact O-CD 3.37Å; P705-W707 PolarHBondContact O-N 2.99Å; P705-W707 VanDerWaalsContact O-N 3.14Å; P705-L708 PolarHBondContact O-N 2.78Å; P705-W709 HydrophobicContact CB-CE3 4.37Å; P705-W709 HydrophobicContact CB-CZ3 4.27Å; P705-W709 PolarHBondContact O-N 3.03Å; P705-F734 HydrophobicContact CB-CD1 4.08Å; P705-F734 HydrophobicContact CB-CD2 3.82Å; P705-F734 HydrophobicContact CB-CE1 3.89Å; P705-F734 HydrophobicContact CB-CE2 3.6Å; P705-F734 HydrophobicContact CB-CG 4.06Å; P705-F734 HydrophobicContact CB-CZ 3.65Å; P705-F734 HydrophobicContact CG-CD2 4.13Å; P705-F734 HydrophobicContact CG-CE2 3.64Å; P705-F734 HydrophobicContact CG-CZ 3.97Å
706Q94.7Very high90.6Very high70 Ų7029.6 Ų29.633%0.32717%0.169SC..Hα-helixtrans-54.8-34.9-179.8-63.3166.3-69.800112S704 L708 W709 S710 Y723 F729 F734S704-Q706 PolarHBondContact O-N 3.26Å; S704-Q706 WeakPolarHBondContact OG-CB 3.28Å; S704-Q706 PolarHBondContact OG-N 2.97Å; S704-Q706 PolarHBondContact OG-OE1 2.84Å; S704-Q706 VanDerWaalsContact OG-OE1 3.06Å; Q706-L708 VanDerWaalsContact C-N 3.34Å; Q706-L708 PolarHBondContact O-N 3.05Å; Q706-W709 PolarHBondContact O-N 2.91Å; Q706-S710 WeakPolarHBondContact O-CB 3.47Å; Q706-S710 PolarHBondContact O-N 3.21Å; Q706-S710 PolarHBondContact O-OG 3.01Å; Q706-Y723 HydrophobicContact CB-CD1 3.71Å; Q706-Y723 HydrophobicContact CB-CE1 4.17Å; Q706-F729 HydrophobicContact CG-CE1 4.12Å; Q706-F729 VanDerWaalsContact OE1-CE1 3.28Å; Q706-F734 HydrophobicContact CB-CE1 4.37Å; Q706-F734 HydrophobicContact CG-CE1 3.66Å; Q706-F734 HydrophobicContact CG-CZ 3.8Å
707W97.1Very high92.6Very high0 Ų028 Ų280%015%0.147CC..Hα-helixtrans-52.8-48.8174.9177.775.2000112.9L578 I584 H665 I667 V703 S704 P705 S710 C711 H717 V718 E720 Y723L578-W707 HydrophobicContact CD2-CH2 3.81Å; L578-W707 HydrophobicContact CD2-CZ2 4.08Å; I584-W707 HydrophobicContact CD1-CH2 4.17Å; I584-W707 HydrophobicContact CD1-CZ3 3.94Å; H665-W707 AromaticContact CD2-CH2 3.34Å; H665-W707 WeakPolarHBondContact CD2-CH2 3.4Å; H665-W707 AromaticContact CD2-CZ2 3.47Å; H665-W707 VanDerWaalsContact CD2-CZ2 3.47Å; H665-W707 WeakPolarHBondContact CD2-CZ2 3.44Å; H665-W707 AromaticContact CD2-CZ3 3.9Å; H665-W707 AromaticContact CG-CH2 3.88Å; H665-W707 AromaticContact NE2-CH2 3.63Å; H665-W707 AromaticContact NE2-CZ2 3.34Å; H665-W707 VanDerWaalsContact NE2-CZ2 3.34Å; H665-W707 WeakPolarHBondContact NE2-CZ2 3.43Å; I667-W707 HydrophobicContact CD1-CE3 4.01Å; I667-W707 HydrophobicContact CD1-CZ3 3.8Å; I667-W707 HydrophobicContact CG1-CE3 4.24Å; I667-W707 HydrophobicContact CG1-CZ3 4.24Å; V703-W707 HydrophobicContact CB-CB 3.94Å; V703-W707 HydrophobicContact CB-CG 4.16Å; V703-W707 HydrophobicContact CG1-CB 4.41Å; V703-W707 HydrophobicContact CG1-CG 4.18Å; V703-W707 HydrophobicContact CG2-CB 4.06Å; V703-W707 HydrophobicContact CG2-CD2 4.01Å; V703-W707 HydrophobicContact CG2-CE3 3.87Å; V703-W707 HydrophobicContact CG2-CG 4.11Å; S704-W707 PolarHBondContact O-N 2.99Å; P705-W707 PolarHBondContact O-N 2.99Å; P705-W707 VanDerWaalsContact O-N 3.14Å; W707-S710 PolarHBondContact O-N 3.49Å; W707-C711 PolarHBondContact O-N 3Å; W707-C711 PolarHBondContact O-SG 2.9Å; W707-H717 AromaticContact CZ2-CD2 3.79Å; W707-H717 AromaticContact CZ2-NE2 3.54Å; W707-V718 PolarHBondContact NE1-O 3.39Å; W707-E720 HydrophobicContact CZ2-CG 4.42Å; W707-Y723 HydrophobicContact CB-CD1 4.45Å; W707-Y723 HydrophobicContact CB-CD2 4.09Å; W707-Y723 HydrophobicContact CB-CG 3.84Å; W707-Y723 AromaticContact CD1-CD2 3.73Å; W707-Y723 HydrophobicContact CG-CD2 4.34Å
708L97.2Very high94.1Very high0 Ų026.8 Ų26.80%014%0.138CC..Hα-helixtrans-69.7-38.1-177.6-178.465.3000111.7L578 A601 I604 V605 L608 I667 P705 Q706 C711 H712L578-L708 HydrophobicContact CD1-CD1 4.18Å; A601-L708 HydrophobicContact CB-CD2 4.22Å; I604-L708 HydrophobicContact CG2-CD1 3.92Å; I604-L708 HydrophobicContact CG2-CD2 4.29Å; I604-L708 HydrophobicContact CG2-CG 3.88Å; V605-L708 HydrophobicContact CG2-CD1 3.79Å; V605-L708 HydrophobicContact CG2-CD2 3.83Å; V605-L708 HydrophobicContact CG2-CG 4.49Å; L608-L708 HydrophobicContact CD1-CD1 4.4Å; I667-L708 HydrophobicContact CD1-CB 4.12Å; I667-L708 HydrophobicContact CD1-CD1 4.24Å; I667-L708 HydrophobicContact CD1-CD2 3.97Å; I667-L708 HydrophobicContact CD1-CG 4.33Å; P705-L708 PolarHBondContact O-N 2.78Å; Q706-L708 VanDerWaalsContact C-N 3.34Å; Q706-L708 PolarHBondContact O-N 3.05Å; L708-C711 PolarHBondContact O-N 3.2Å; L708-H712 VanDerWaalsContact O-CB 3.31Å; L708-H712 WeakPolarHBondContact O-CB 3.2Å; L708-H712 PolarHBondContact O-N 3.46Å
709W94.8Very high95Very high11 Ų1127.7 Ų27.74%0.04215%0.148CC..Hα-helixtrans-71.6-35.9177-90.8-103.7000111.8L589 L600 A601 I604 P705 Q706 H712 Y713 F734L589-W709 HydrophobicContact CD1-CZ3 4.43Å; L589-W709 HydrophobicContact CD2-CH2 4.2Å; L589-W709 HydrophobicContact CD2-CZ3 4.1Å; L600-W709 HydrophobicContact CD2-CZ2 4.24Å; L600-W709 HydrophobicContact CG-CZ2 4.28Å; A601-W709 HydrophobicContact CB-CH2 3.83Å; A601-W709 HydrophobicContact CB-CZ3 4.19Å; I604-W709 HydrophobicContact CD1-CD2 4.39Å; I604-W709 HydrophobicContact CD1-CZ2 3.91Å; P705-W709 HydrophobicContact CB-CE3 4.37Å; P705-W709 HydrophobicContact CB-CZ3 4.27Å; P705-W709 PolarHBondContact O-N 3.03Å; Q706-W709 PolarHBondContact O-N 2.91Å; W709-H712 WeakPolarHBondContact O-CB 3.25Å; W709-H712 PolarHBondContact O-N 2.93Å; W709-Y713 HydrophobicContact CB-CD2 4.35Å; W709-Y713 HydrophobicContact CB-CE2 4.07Å; W709-Y713 AromaticContact CD1-CE2 3.73Å; W709-Y713 AromaticContact CD1-CZ 3.71Å; W709-Y713 HydrophobicContact CG-CE2 4.34Å; W709-Y713 WeakPolarHBondContact O-CB 3.37Å; W709-Y713 WeakPolarHBondContact O-CD2 3.09Å; W709-Y713 VanDerWaalsContact O-CG 3.32Å; W709-Y713 PolarHBondContact O-N 3.42Å; W709-F734 HydrophobicContact CD2-CB 3.98Å; W709-F734 AromaticContact CD2-CD1 3.98Å; W709-F734 HydrophobicContact CD2-CD1 3.98Å; W709-F734 HydrophobicContact CD2-CG 4.36Å; W709-F734 HydrophobicContact CE3-CB 4.16Å; W709-F734 HydrophobicContact CE3-CD1 4.08Å; W709-F734 HydrophobicContact CE3-CG 4.32Å; W709-F734 HydrophobicContact CG-CD1 4.18Å; W709-F734 HydrophobicContact CH2-CB 3.72Å; W709-F734 HydrophobicContact CZ2-CB 3.54Å; W709-F734 VanDerWaalsContact CZ2-O 3.3Å; W709-F734 WeakPolarHBondContact CZ2-O 3.4Å; W709-F734 HydrophobicContact CZ3-CB 4.03Å; W709-F734 HydrophobicContact CZ3-CG 4.41Å; W709-F734 PolarHBondContact NE1-O 3.34Å; W709-F734 VanDerWaalsContact NE1-O 3.09Å
710S94.4Very high95.6Very high21 Ų2126.4 Ų26.415%0.14713%0.134CC..Hα-helixtrans-63.9-44.5169-76.10000112Q706 W707 H712 Y713 H714 Y723Q706-S710 WeakPolarHBondContact O-CB 3.47Å; Q706-S710 PolarHBondContact O-N 3.21Å; Q706-S710 PolarHBondContact O-OG 3.01Å; W707-S710 PolarHBondContact O-N 3.49Å; S710-H712 PolarHBondContact O-N 3.31Å; S710-Y713 PolarHBondContact O-N 3.47Å; S710-H714 WeakPolarHBondContact O-CB 3.38Å; S710-H714 PolarHBondContact O-CD2 3.25Å; S710-H714 VanDerWaalsContact O-CD2 3.23Å; S710-H714 PolarHBondContact O-N 3.14Å; S710-Y723 VanDerWaalsContact CB-OH 3.27Å; S710-Y723 WeakPolarHBondContact CB-OH 3.35Å; S710-Y723 PolarHBondContact OG-OH 3.31Å
711C97.1Very high95.6Very high0 Ų033.2 Ų33.20%017%0.17CC..Hα-helixtrans-57.5-39.6172.2-63.70000112V577 L578 L608 W707 L708 W715 D716V577-C711 HydrophobicContact CG1-CB 4.37Å; L578-C711 HydrophobicContact CD2-CB 4.22Å; L608-C711 HydrophobicContact CD1-CB 3.96Å; W707-C711 PolarHBondContact O-N 3Å; W707-C711 PolarHBondContact O-SG 2.9Å; L708-C711 PolarHBondContact O-N 3.2Å; C711-W715 WeakPolarHBondContact O-CA 3.29Å; C711-W715 PolarHBondContact O-N 3.47Å; C711-W715 VanDerWaalsContact O-N 3.08Å; C711-D716 WeakPolarHBondContact CA-O 3.5Å
712H95.8Very high95.5Very high7 Ų738.7 Ų38.73%0.03219%0.193CC..Hα-helixtrans-68.8-42.2179.8172.583.3000113.8H283 R574 I604 L608 L708 W709 S710 W715H283-H712 AromaticContact CG-NE2 3.66Å; H283-H712 AromaticContact ND1-CD2 3.83Å; H283-H712 AromaticContact ND1-CE1 3.68Å; H283-H712 AromaticContact ND1-NE2 2.99Å; H283-H712 PolarHBondContact ND1-NE2 3.14Å; H283-H712 PolarHBondContact O-NE2 3.27Å; R574-H712 PolarHBondContact NH2-CE1 2.94Å; R574-H712 PolarHBondContact NH2-ND1 3.36Å; I604-H712 HydrophobicContact CG2-CB 3.71Å; L608-H712 HydrophobicContact CD1-CB 4.19Å; L708-H712 VanDerWaalsContact O-CB 3.31Å; L708-H712 WeakPolarHBondContact O-CB 3.2Å; L708-H712 PolarHBondContact O-N 3.46Å; W709-H712 WeakPolarHBondContact O-CB 3.25Å; W709-H712 PolarHBondContact O-N 2.93Å; S710-H712 PolarHBondContact O-N 3.31Å; H712-W715 VanDerWaalsContact O-CD1 3.23Å
713Y94.9Very high95.4Very high30 Ų3039 Ų3912%0.11819%0.192CC..Hα-helixtrans-83-32.7-175.9-67-45.7000113.6V284 K285 Y485 W709 S710V284-Y713 VanDerWaalsContact C-CD1 3.5Å; V284-Y713 VanDerWaalsContact C-CE1 3.4Å; V284-Y713 WeakPolarHBondContact O-CE1 3.27Å; K285-Y713 HydrophobicContact CB-CD1 4Å; K285-Y713 HydrophobicContact CB-CD2 3.84Å; K285-Y713 HydrophobicContact CB-CE1 4.29Å; K285-Y713 HydrophobicContact CB-CE2 4.1Å; K285-Y713 HydrophobicContact CB-CG 3.8Å; K285-Y713 HydrophobicContact CG-CD2 4.16Å; K285-Y713 HydrophobicContact CG-CE2 4.23Å; K285-Y713 VanDerWaalsContact N-CD1 3.3Å; Y485-Y713 PolarHBondContact OH-O 2.92Å; W709-Y713 HydrophobicContact CB-CD2 4.35Å; W709-Y713 HydrophobicContact CB-CE2 4.07Å; W709-Y713 AromaticContact CD1-CE2 3.73Å; W709-Y713 AromaticContact CD1-CZ 3.71Å; W709-Y713 HydrophobicContact CG-CE2 4.34Å; W709-Y713 WeakPolarHBondContact O-CB 3.37Å; W709-Y713 WeakPolarHBondContact O-CD2 3.09Å; W709-Y713 VanDerWaalsContact O-CG 3.32Å; W709-Y713 PolarHBondContact O-N 3.42Å; S710-Y713 PolarHBondContact O-N 3.47Å
714H94Very high95.3Very high33 Ų3342.3 Ų42.315%0.15321%0.214CC..Hα-helixtrans-97.2-9.3-180-60.2-84.6000113.6R488 S710 D716R488-H714 PolarHBondContact NH1-O 3.26Å; S710-H714 WeakPolarHBondContact O-CB 3.38Å; S710-H714 PolarHBondContact O-CD2 3.25Å; S710-H714 VanDerWaalsContact O-CD2 3.23Å; S710-H714 PolarHBondContact O-N 3.14Å; H714-D716 PolarHBondContact O-N 3.31Å
715W96.3Very high95.3Very high8 Ų843.2 Ų43.23%0.0322%0.218CC..SBendtrans55.630.6-177.1-66.235.9000113.9I282 I492 I496 I570 L573 R574 V577 C711 H712I282-W715 HydrophobicContact CD1-CZ2 4.42Å; I282-W715 HydrophobicContact CG1-CZ2 4.1Å; I282-W715 HydrophobicContact CG2-CZ2 4.08Å; I492-W715 HydrophobicContact CD1-CB 3.98Å; I492-W715 HydrophobicContact CD1-CD2 4.35Å; I492-W715 HydrophobicContact CD1-CG 3.82Å; I492-W715 HydrophobicContact CG1-CB 4.22Å; I492-W715 HydrophobicContact CG1-CD2 4.4Å; I492-W715 HydrophobicContact CG1-CG 4.21Å; I492-W715 HydrophobicContact CG2-CD2 3.73Å; I492-W715 HydrophobicContact CG2-CE3 3.78Å; I492-W715 HydrophobicContact CG2-CG 4.34Å; I492-W715 HydrophobicContact CG2-CH2 3.95Å; I492-W715 HydrophobicContact CG2-CZ2 3.91Å; I492-W715 HydrophobicContact CG2-CZ3 3.87Å; I496-W715 HydrophobicContact CD1-CH2 3.75Å; I496-W715 HydrophobicContact CD1-CZ3 4.18Å; I496-W715 HydrophobicContact CG1-CH2 4.28Å; I496-W715 HydrophobicContact CG1-CZ3 4.29Å; I570-W715 HydrophobicContact CB-CH2 4.32Å; I570-W715 HydrophobicContact CG1-CH2 4.26Å; I570-W715 HydrophobicContact CG2-CH2 3.91Å; I570-W715 HydrophobicContact CG2-CZ2 4.31Å; L573-W715 HydrophobicContact CB-CE3 4.1Å; L573-W715 HydrophobicContact CB-CZ3 3.64Å; L573-W715 HydrophobicContact CD1-CZ3 4.25Å; R574-W715 HydrophobicContact CG-CD2 3.86Å; R574-W715 HydrophobicContact CG-CE3 3.87Å; R574-W715 HydrophobicContact CG-CH2 3.64Å; R574-W715 HydrophobicContact CG-CZ2 3.6Å; R574-W715 HydrophobicContact CG-CZ3 3.78Å; V577-W715 HydrophobicContact CG2-CB 4.14Å; V577-W715 VanDerWaalsContact CG2-O 3.31Å; V577-W715 WeakPolarHBondContact CG2-O 3.41Å; C711-W715 WeakPolarHBondContact O-CA 3.29Å; C711-W715 PolarHBondContact O-N 3.47Å; C711-W715 VanDerWaalsContact O-N 3.08Å; H712-W715 VanDerWaalsContact O-CD1 3.23Å
716D94.5Very high95.1Very high64 Ų6447.1 Ų47.134%0.34224%0.239SC..SBendtrans-127.8155.1176.1-74.31.5000110.8R488 C711 H714 V718R488-D716 IonicContact CZ-OD1 3.35Å; R488-D716 IonicContact CZ-OD2 2.75Å; R488-D716 IonicContact NH1-OD1 3Å; R488-D716 PolarHBondContact NH1-OD1 2.85Å; R488-D716 VanDerWaalsContact NH1-OD1 3.16Å; R488-D716 IonicContact NH1-OD2 3.12Å; R488-D716 PolarHBondContact NH1-OD2 3.24Å; R488-D716 IonicContact NH2-OD1 2.7Å; R488-D716 PolarHBondContact NH2-OD1 3.44Å; R488-D716 IonicContact NH2-OD2 2.67Å; R488-D716 PolarHBondContact NH2-OD2 3.46Å; C711-D716 WeakPolarHBondContact CA-O 3.5Å; H714-D716 PolarHBondContact O-N 3.31Å; D716-V718 PolarHBondContact O-N 2.93Å; D716-V718 VanDerWaalsContact O-N 3.08Å
717H96.3Very high95Very high95 Ų9548.5 Ų48.544%0.4424%0.242SC..  trans-78.388171-157.5-179.7000110.2V577 W707V577-H717 WeakPolarHBondContact O-CB 3.5Å; W707-H717 AromaticContact CZ2-CD2 3.79Å; W707-H717 AromaticContact CZ2-NE2 3.54Å
718V93.9Very high94.8Very high26 Ų2651.1 Ų51.116%0.15826%0.256CS..  trans-72.3140.4-176.7-60.50000112.1W707 D716 E720 Y723W707-V718 PolarHBondContact NE1-O 3.39Å; D716-V718 PolarHBondContact O-N 2.93Å; D716-V718 VanDerWaalsContact O-N 3.08Å; V718-E720 PolarHBondContact O-N 2.83Å; V718-Y723 HydrophobicContact CB-CE2 3.99Å; V718-Y723 HydrophobicContact CG2-CD2 4.23Å; V718-Y723 HydrophobicContact CG2-CE2 3.44Å; V718-Y723 VanDerWaalsContact CG2-CE2 3.44Å
719C95.7Very high94.5Very high58 Ų5851.7 Ų51.739%0.39226%0.258SS..  trans-56.8124.8-177.3176.70000112.5L721 K722 Y723C719-L721 VanDerWaalsContact C-N 3.26Å; C719-L721 PolarHBondContact O-N 3.29Å; C719-K722 WeakPolarHBondContact O-CB 3.38Å; C719-K722 PolarHBondContact O-N 2.94Å; C719-K722 VanDerWaalsContact O-N 3.17Å; C719-Y723 WeakPolarHBondContact O-CD2 3.41Å
720E95.8Very high94.1Very high40 Ų4052.2 Ų52.219%0.18726%0.261CS..G310 helixtrans-63.3-32-173-47.889.5154.400112.2H665 H701 V703 W707 V718 K722 Y723H665-E720 WeakPolarHBondContact NE2-CG 3.45Å; H665-E720 IonicContact NE2-OE1 3.77Å; H701-E720 HydrophobicContact CB-CB 4.17Å; H701-E720 HydrophobicContact CB-CG 4.02Å; H701-E720 IonicContact CE1-OE1 3.98Å; H701-E720 PolarHBondContact CE1-OE1 3.36Å; H701-E720 VanDerWaalsContact CE1-OE1 3.3Å; H701-E720 IonicContact CE1-OE2 3.85Å; H701-E720 IonicContact CG-OE1 3.65Å; H701-E720 VanDerWaalsContact ND1-CD 3.31Å; H701-E720 WeakPolarHBondContact ND1-CG 3.38Å; H701-E720 IonicContact ND1-OE1 3.89Å; H701-E720 PolarHBondContact ND1-OE1 3.5Å; H701-E720 IonicContact ND1-OE2 2.61Å; H701-E720 IonicContact NE2-OE1 3.43Å; V703-E720 HydrophobicContact CG1-CB 3.8Å; V703-E720 HydrophobicContact CG1-CG 4.48Å; W707-E720 HydrophobicContact CZ2-CG 4.42Å; V718-E720 PolarHBondContact O-N 2.83Å; E720-K722 PolarHBondContact O-N 2.92Å; E720-Y723 PolarHBondContact O-N 3.44Å
721L93.3Very high93.6Very high151 Ų15151.8 Ų51.879%0.79126%0.257SS*.G310 helixtrans-62.8-21.9179.5-61.6176.9000113.2C719 Y723C719-L721 VanDerWaalsContact C-N 3.26Å; C719-L721 PolarHBondContact O-N 3.29Å; L721-Y723 VanDerWaalsContact C-N 3.25Å; L721-Y723 PolarHBondContact O-N 3.11Å
722K93.4Very high92.8Very high163 Ų16353.5 Ų53.571%0.70927%0.27SS*.G310 helixtrans-75.1-12.1174.6-65.8-175.3176.3-175.20113.2C719 E720 P724C719-K722 WeakPolarHBondContact O-CB 3.38Å; C719-K722 PolarHBondContact O-N 2.94Å; C719-K722 VanDerWaalsContact O-N 3.17Å; E720-K722 PolarHBondContact O-N 2.92Å; K722-P724 VanDerWaalsContact C-CD 3.44Å
723Y95.7Very high92Very high40 Ų4057.9 Ų57.916%0.15729%0.293CS..SBendtrans-131.153.5-171-54.7-87.4000113.4V703 S704 Q706 W707 S710 V718 C719 E720 L721V703-Y723 CarbonylContact C-O 3.59Å; V703-Y723 VanDerWaalsContact CA-O 3.3Å; V703-Y723 WeakPolarHBondContact CA-O 3.45Å; S704-Y723 PolarHBondContact N-O 3.32Å; Q706-Y723 HydrophobicContact CB-CD1 3.71Å; Q706-Y723 HydrophobicContact CB-CE1 4.17Å; W707-Y723 HydrophobicContact CB-CD1 4.45Å; W707-Y723 HydrophobicContact CB-CD2 4.09Å; W707-Y723 HydrophobicContact CB-CG 3.84Å; W707-Y723 AromaticContact CD1-CD2 3.73Å; W707-Y723 HydrophobicContact CG-CD2 4.34Å; S710-Y723 VanDerWaalsContact CB-OH 3.27Å; S710-Y723 WeakPolarHBondContact CB-OH 3.35Å; S710-Y723 PolarHBondContact OG-OH 3.31Å; V718-Y723 HydrophobicContact CB-CE2 3.99Å; V718-Y723 HydrophobicContact CG2-CD2 4.23Å; V718-Y723 HydrophobicContact CG2-CE2 3.44Å; V718-Y723 VanDerWaalsContact CG2-CE2 3.44Å; C719-Y723 WeakPolarHBondContact O-CD2 3.41Å; E720-Y723 PolarHBondContact O-N 3.44Å; L721-Y723 VanDerWaalsContact C-N 3.25Å; L721-Y723 PolarHBondContact O-N 3.11Å
724P95.2Very high91.6Very high72 Ų7257.7 Ų57.747%0.46829%0.293SS..BIsolated β-bridgetrans-65.2156.2179.331.1-37.1000111.9K722 D726K722-P724 VanDerWaalsContact C-CD 3.44Å; P724-D726 PolarHBondContact O-N 2.7Å
725L95Very high90.8Very high18 Ų1856.9 Ų56.99%0.09429%0.29CS..  trans-80.171.2170.1-16968000111.6A668 R671 V676 L702 F729A668-L725 HydrophobicContact CB-CD1 4.42Å; A668-L725 HydrophobicContact CB-CD2 3.85Å; A668-L725 WeakPolarHBondContact O-CD1 3.37Å; R671-L725 HydrophobicContact CB-CD2 4.41Å; R671-L725 WeakPolarHBondContact CD-O 3.35Å; R671-L725 HydrophobicContact CG-CD2 3.78Å; R671-L725 HydrophobicContact CG-CG 3.69Å; V676-L725 HydrophobicContact CG1-CD2 4.12Å; V676-L725 HydrophobicContact CG2-CD2 3.99Å; L702-L725 HydrophobicContact CD1-CB 4.48Å; L702-L725 HydrophobicContact CD1-CD2 4.08Å; L702-L725 HydrophobicContact CG-CB 4.24Å; L725-F729 HydrophobicContact CD1-CD2 4.44Å; L725-F729 HydrophobicContact CD1-CE2 4.42Å
726D92.5Very high89.3Confident82 Ų8261.1 Ų61.144%0.43932%0.319SS..  trans-76.3-42.3-179.671.9-42.6000112.7R671 P724R671-D726 WeakPolarHBondContact CD-O 3.39Å; R671-D726 PolarHBondContact NH1-O 2.88Å; P724-D726 PolarHBondContact O-N 2.7Å
727R92.7Very high87.8Confident100 Ų10062.6 Ų62.638%0.37733%0.327SS..SBendtrans-126.2167.4-17766-159-178.9162.70.9112.6F729 Y755R727-F729 HydrophobicContact CG-CD2 4.13Å; R727-F729 HydrophobicContact CG-CE1 4.18Å; R727-F729 HydrophobicContact CG-CE2 3.6Å; R727-F729 HydrophobicContact CG-CZ 3.64Å; R727-F729 WeakPolarHBondContact O-CD2 3.2Å; R727-F729 WeakPolarHBondContact O-CE2 3.34Å; R727-Y755 PolarHBondContact NH1-OH 3.16Å
728D93Very high86.4Confident55 Ų5559.1 Ų59.129%0.29431%0.311SS..  trans-83.1129.7166.1-82.42.5000108.6C669 R670 R671 Y747C669-D728 CarbonylContact O-C 3.6Å; C669-D728 WeakPolarHBondContact O-CA 3.46Å; R670-D728 WeakPolarHBondContact CA-OD1 3.46Å; R670-D728 WeakPolarHBondContact CB-OD1 3.38Å; R670-D728 HydrophobicContact CG-CB 4.21Å; R671-D728 PolarHBondContact N-OD1 3.41Å; D728-Y747 WeakPolarHBondContact CB-OH 3.15Å; D728-Y747 PolarHBondContact OD2-OH 3.21Å
729F90.9Very high84.6Confident12 Ų1265.5 Ų65.55%0.05334%0.339CS..  trans-106.1159.3175.7-59.6-104.3000110.9C669 Q706 L725 R727 F734C669-F729 PolarHBondContact O-N 2.76Å; Q706-F729 HydrophobicContact CG-CE1 4.12Å; Q706-F729 VanDerWaalsContact OE1-CE1 3.28Å; L725-F729 HydrophobicContact CD1-CD2 4.44Å; L725-F729 HydrophobicContact CD1-CE2 4.42Å; R727-F729 HydrophobicContact CG-CD2 4.13Å; R727-F729 HydrophobicContact CG-CE1 4.18Å; R727-F729 HydrophobicContact CG-CE2 3.6Å; R727-F729 HydrophobicContact CG-CZ 3.64Å; R727-F729 WeakPolarHBondContact O-CD2 3.2Å; R727-F729 WeakPolarHBondContact O-CE2 3.34Å; F729-F734 HydrophobicContact CB-CE2 3.86Å; F729-F734 HydrophobicContact CB-CZ 4.43Å; F729-F734 HydrophobicContact CD1-CE2 4.05Å; F729-F734 AromaticContact CD1-CZ 3.78Å; F729-F734 HydrophobicContact CD1-CZ 3.78Å; F729-F734 HydrophobicContact CE1-CZ 4.38Å; F729-F734 HydrophobicContact CG-CE2 4.22Å; F729-F734 HydrophobicContact CG-CZ 4.31Å
730H85.7Confident82.4Confident21 Ų2165.9 Ų65.910%0.09734%0.341CS..  trans-96.9142.1172.1-156.6-103.7000110.7S732 D733H730-S732 VanDerWaalsContact C-N 3.26Å; H730-S732 PolarHBondContact ND1-OG 3.1Å; H730-S732 PolarHBondContact O-N 3.13Å; H730-D733 WeakPolarHBondContact CA-OD2 3.39Å; H730-D733 WeakPolarHBondContact CB-OD2 3.39Å; H730-D733 PolarHBondContact N-OD2 2.83Å; H730-D733 VanDerWaalsContact O-CB 3.27Å; H730-D733 WeakPolarHBondContact O-CB 3.4Å; H730-D733 PolarHBondContact O-N 2.9Å
731P84.1Confident80.1Confident12 Ų1268 Ų688%0.07835%0.352CS..G310 helixtrans-60.6-34179.7-25.836.1000113.7G588 D733 F734 D735 I738G588-P731 WeakPolarHBondContact O-CG 3.18Å; P731-D733 PolarHBondContact O-N 3.44Å; P731-D733 VanDerWaalsContact O-N 3.13Å; P731-F734 PolarHBondContact O-N 3.17Å; P731-F734 VanDerWaalsContact O-N 3.09Å; P731-D735 PolarHBondContact O-N 3.11Å; P731-I738 HydrophobicContact CB-CB 4.45Å; P731-I738 HydrophobicContact CB-CD1 3.6Å; P731-I738 HydrophobicContact CB-CG2 4.13Å
732S79.5Confident77.3Confident37 Ų3766.9 Ų66.926%0.25935%0.354SS..G310 helixtrans-66.4-8.4175.768.50000114.7H730 F734 D735H730-S732 VanDerWaalsContact C-N 3.26Å; H730-S732 PolarHBondContact ND1-OG 3.1Å; H730-S732 PolarHBondContact O-N 3.13Å; S732-F734 PolarHBondContact O-N 2.73Å; S732-D735 WeakPolarHBondContact CA-O 3.31Å
733D80.8Confident74.9Confident98 Ų9861.4 Ų61.452%0.52434%0.344SS..G310 helixtrans-75.9-10.3174-49.7-22.8000110.9H730 P731H730-D733 WeakPolarHBondContact CA-OD2 3.39Å; H730-D733 WeakPolarHBondContact CB-OD2 3.39Å; H730-D733 PolarHBondContact N-OD2 2.83Å; H730-D733 VanDerWaalsContact O-CB 3.27Å; H730-D733 WeakPolarHBondContact O-CB 3.4Å; H730-D733 PolarHBondContact O-N 2.9Å; P731-D733 PolarHBondContact O-N 3.44Å; P731-D733 VanDerWaalsContact O-N 3.13Å
734F84.6Confident72.8Confident26 Ų2660.3 Ų60.311%0.11434%0.342CS..THydrogen-bonded Turntrans-132.1-30.4-175.2-55.9-78.8000113.9P705 Q706 W709 F729 P731 S732P705-F734 HydrophobicContact CB-CD1 4.08Å; P705-F734 HydrophobicContact CB-CD2 3.82Å; P705-F734 HydrophobicContact CB-CE1 3.89Å; P705-F734 HydrophobicContact CB-CE2 3.6Å; P705-F734 HydrophobicContact CB-CG 4.06Å; P705-F734 HydrophobicContact CB-CZ 3.65Å; P705-F734 HydrophobicContact CG-CD2 4.13Å; P705-F734 HydrophobicContact CG-CE2 3.64Å; P705-F734 HydrophobicContact CG-CZ 3.97Å; Q706-F734 HydrophobicContact CB-CE1 4.37Å; Q706-F734 HydrophobicContact CG-CE1 3.66Å; Q706-F734 HydrophobicContact CG-CZ 3.8Å; W709-F734 HydrophobicContact CD2-CB 3.98Å; W709-F734 AromaticContact CD2-CD1 3.98Å; W709-F734 HydrophobicContact CD2-CD1 3.98Å; W709-F734 HydrophobicContact CD2-CG 4.36Å; W709-F734 HydrophobicContact CE3-CB 4.16Å; W709-F734 HydrophobicContact CE3-CD1 4.08Å; W709-F734 HydrophobicContact CE3-CG 4.32Å; W709-F734 HydrophobicContact CG-CD1 4.18Å; W709-F734 HydrophobicContact CH2-CB 3.72Å; W709-F734 HydrophobicContact CZ2-CB 3.54Å; W709-F734 VanDerWaalsContact CZ2-O 3.3Å; W709-F734 WeakPolarHBondContact CZ2-O 3.4Å; W709-F734 HydrophobicContact CZ3-CB 4.03Å; W709-F734 HydrophobicContact CZ3-CG 4.41Å; W709-F734 PolarHBondContact NE1-O 3.34Å; W709-F734 VanDerWaalsContact NE1-O 3.09Å; F729-F734 HydrophobicContact CB-CE2 3.86Å; F729-F734 HydrophobicContact CB-CZ 4.43Å; F729-F734 HydrophobicContact CD1-CE2 4.05Å; F729-F734 AromaticContact CD1-CZ 3.78Å; F729-F734 HydrophobicContact CD1-CZ 3.78Å; F729-F734 HydrophobicContact CE1-CZ 4.38Å; F729-F734 HydrophobicContact CG-CE2 4.22Å; F729-F734 HydrophobicContact CG-CZ 4.31Å; P731-F734 PolarHBondContact O-N 3.17Å; P731-F734 VanDerWaalsContact O-N 3.09Å; S732-F734 PolarHBondContact O-N 2.73Å
735D77.2Confident70.4Confident16 Ų1660.6 Ų60.69%0.08634%0.339CS..  trans-138.485.4-178.1-176.5-5.1000107.3L600 P731 S732 D737 I738L600-D735 HydrophobicContact CB-CB 4.29Å; L600-D735 WeakPolarHBondContact CB-OD2 3.36Å; L600-D735 HydrophobicContact CD2-CB 4.09Å; P731-D735 PolarHBondContact O-N 3.11Å; S732-D735 WeakPolarHBondContact CA-O 3.31Å; D735-D737 PolarHBondContact O-N 3.01Å; D735-I738 HydrophobicContact CB-CD1 3.67Å; D735-I738 HydrophobicContact CB-CG1 3.93Å; D735-I738 WeakPolarHBondContact O-CB 3.1Å; D735-I738 PolarHBondContact O-N 2.94Å; D735-I738 VanDerWaalsContact O-N 3.13Å; D735-I738 WeakPolarHBondContact OD2-CD1 3.42Å
736P66.6Low68.1Low98 Ų9870.3 Ų70.364%0.63637%0.374SS*.THydrogen-bonded Turntrans-65.8-23.1-168.226.5-34.7000113.2I738P736-I738 PolarHBondContact O-N 3.4Å
737D61.7Low65.9Low95 Ų9569.6 Ų69.651%0.50837%0.365SS..THydrogen-bonded Turntrans-71.5-8.9176.6-66-25.1000113.2D735 E739D735-D737 PolarHBondContact O-N 3.01Å; D737-E739 PolarHBondContact O-N 3.15Å
738I68.1Low63.7Low21 Ų2165.7 Ų65.711%0.10836%0.355CS..SBendtrans-67.2103.2174.1-66.7178.3000110P591 P731 D735 P736P591-I738 HydrophobicContact CG-CG1 4.47Å; P591-I738 HydrophobicContact CG-CG2 4.23Å; P731-I738 HydrophobicContact CB-CB 4.45Å; P731-I738 HydrophobicContact CB-CD1 3.6Å; P731-I738 HydrophobicContact CB-CG2 4.13Å; D735-I738 HydrophobicContact CB-CD1 3.67Å; D735-I738 HydrophobicContact CB-CG1 3.93Å; D735-I738 WeakPolarHBondContact O-CB 3.1Å; D735-I738 PolarHBondContact O-N 2.94Å; D735-I738 VanDerWaalsContact O-N 3.13Å; D735-I738 WeakPolarHBondContact OD2-CD1 3.42Å; P736-I738 PolarHBondContact O-N 3.4Å
739E54.1Low61.8Low160 Ų16068.7 Ų68.775%0.74837%0.365SS*.  trans-46.8124.5170.3-79.2-161.7163.700111.1D737 I741D737-E739 PolarHBondContact O-N 3.15Å; E739-I741 VanDerWaalsContact C-N 3.35Å; E739-I741 PolarHBondContact O-N 3.16Å
740P49.8Very low60.1Low66 Ų6676.8 Ų76.843%0.42940%0.395SS..  trans-72.690.5179.429-34.3000110.2T744 I745P740-T744 WeakPolarHBondContact CA-OG1 3.25Å; P740-I745 HydrophobicContact CB-CG1 4.07Å; P740-I745 HydrophobicContact CG-CG1 4.26Å; P740-I745 WeakPolarHBondContact O-CG1 3.41Å
741I49.2Very low58.5Low84 Ų8479.4 Ų79.443%0.43141%0.408SS..  trans-28.5126.5176.9-57.5171.9000111E739 G743 T744E739-I741 VanDerWaalsContact C-N 3.35Å; E739-I741 PolarHBondContact O-N 3.16Å; I741-G743 VanDerWaalsContact C-N 3.32Å; I741-G743 CarbonylContact O-C 3.53Å; I741-G743 PolarHBondContact O-N 3.34Å; I741-T744 HydrophobicContact CB-CG2 4.1Å; I741-T744 PolarHBondContact N-OG1 3.36Å; I741-T744 PolarHBondContact O-N 3.09Å; I741-T744 PolarHBondContact O-OG1 2.87Å
742P33.3Very low57Low128 Ų12886 Ų8683%0.83143%0.432SS*.THydrogen-bonded Turntrans-54.184179.9-30.737.7000114.8
743G42.8Very low55.6Low48 Ų4893 Ų9350%0.49545%0.452SS..THydrogen-bonded Turntrans153.8-45.8-167.400000111.8I741 I745 R746I741-G743 VanDerWaalsContact C-N 3.32Å; I741-G743 CarbonylContact O-C 3.53Å; I741-G743 PolarHBondContact O-N 3.34Å; G743-I745 VanDerWaalsContact C-N 3.26Å; G743-I745 PolarHBondContact O-N 2.81Å; G743-R746 PolarHBondContact O-N 3.15Å
744T51.9Low54.2Low18 Ų1893.1 Ų93.111%0.1145%0.45CS..Hα-helixtrans-62.5-32.3169.659.60000111.8P740 I741 R746 Y747 A748P740-T744 WeakPolarHBondContact CA-OG1 3.25Å; I741-T744 HydrophobicContact CB-CG2 4.1Å; I741-T744 PolarHBondContact N-OG1 3.36Å; I741-T744 PolarHBondContact O-N 3.09Å; I741-T744 PolarHBondContact O-OG1 2.87Å; T744-R746 PolarHBondContact O-N 2.77Å; T744-R746 VanDerWaalsContact O-N 3.13Å; T744-Y747 CarbonylContact O-C 3.46Å; T744-Y747 WeakPolarHBondContact O-CA 3.09Å; T744-Y747 WeakPolarHBondContact O-CB 3.39Å; T744-Y747 PolarHBondContact O-N 2.69Å; T744-A748 PolarHBondContact O-N 2.67Å
745I45Very low52.3Low78 Ų7897.8 Ų97.840%0.447%0.467SS..Hα-helixtrans-51-39.6175.7-56.7172.6000112.6P740 G743 K749P740-I745 HydrophobicContact CB-CG1 4.07Å; P740-I745 HydrophobicContact CG-CG1 4.26Å; P740-I745 WeakPolarHBondContact O-CG1 3.41Å; G743-I745 VanDerWaalsContact C-N 3.26Å; G743-I745 PolarHBondContact O-N 2.81Å; I745-K749 WeakPolarHBondContact O-CB 3.19Å; I745-K749 WeakPolarHBondContact O-CG 3.26Å; I745-K749 PolarHBondContact O-N 3.08Å
746R46.1Very low50.8Low221 Ų221104.1 Ų104.183%0.83449%0.491SS*.Hα-helixtrans-72.7-33.8175.8-71.9-174.1-179.2172.31.9112.6G743 T744 R750G743-R746 PolarHBondContact O-N 3.15Å; T744-R746 PolarHBondContact O-N 2.77Å; T744-R746 VanDerWaalsContact O-N 3.13Å; R746-R750 WeakPolarHBondContact O-CB 3.33Å; R746-R750 PolarHBondContact O-N 3.33Å; R746-R750 VanDerWaalsContact O-N 3.1Å
747Y47.7Very low49.9Very low67 Ų67106 Ų10626%0.26349%0.492SS..Hα-helixtrans-70.2-46.6174.4178.8-87.6000110.8D728 T744 R750 M751D728-Y747 WeakPolarHBondContact CB-OH 3.15Å; D728-Y747 PolarHBondContact OD2-OH 3.21Å; T744-Y747 CarbonylContact O-C 3.46Å; T744-Y747 WeakPolarHBondContact O-CA 3.09Å; T744-Y747 WeakPolarHBondContact O-CB 3.39Å; T744-Y747 PolarHBondContact O-N 2.69Å; Y747-R750 CarbonylContact O-C 3.5Å; Y747-R750 WeakPolarHBondContact O-CA 3.38Å; Y747-R750 WeakPolarHBondContact O-CB 3.23Å; Y747-R750 PolarHBondContact O-N 2.98Å; Y747-M751 HydrophobicContact CD1-CG 3.83Å; Y747-M751 HydrophobicContact CD2-CG 4.47Å; Y747-M751 HydrophobicContact CE1-CG 3.54Å; Y747-M751 HydrophobicContact CE2-CG 4.24Å; Y747-M751 HydrophobicContact CE2-SD 4.5Å; Y747-M751 HydrophobicContact CG-CG 4.3Å; Y747-M751 WeakPolarHBondContact O-CG 3.5Å; Y747-M751 PolarHBondContact O-N 3.02Å
748A45.9Very low49.3Very low18 Ų18106.2 Ų106.215%0.14949%0.489CS..Hα-helixtrans-60.3-46.6174.700000112T744 R750 M751 R752T744-A748 PolarHBondContact O-N 2.67Å; A748-R750 PolarHBondContact O-N 2.84Å; A748-M751 PolarHBondContact O-N 3.15Å; A748-R752 WeakPolarHBondContact O-CB 3.35Å; A748-R752 WeakPolarHBondContact O-CG 3.28Å; A748-R752 PolarHBondContact O-N 3.47Å
749K52.9Low48.2Very low118 Ų118110.9 Ų110.951%0.51351%0.51SS..Hα-helixtrans-64.5-24173.4-72.6-170176.9-170.20113.3I745 R753I745-K749 WeakPolarHBondContact O-CB 3.19Å; I745-K749 WeakPolarHBondContact O-CG 3.26Å; I745-K749 PolarHBondContact O-N 3.08Å; K749-R753 WeakPolarHBondContact O-CG 3.27Å
750R54.3Low47.9Very low182 Ų182109.5 Ų109.569%0.68750%0.503SS*.Hα-helixtrans-79.6-45.2170.4176.3175.6-79.5-176.3-6.3112.1R746 Y747 A748 R753 H754R746-R750 WeakPolarHBondContact O-CB 3.33Å; R746-R750 PolarHBondContact O-N 3.33Å; R746-R750 VanDerWaalsContact O-N 3.1Å; Y747-R750 CarbonylContact O-C 3.5Å; Y747-R750 WeakPolarHBondContact O-CA 3.38Å; Y747-R750 WeakPolarHBondContact O-CB 3.23Å; Y747-R750 PolarHBondContact O-N 2.98Å; A748-R750 PolarHBondContact O-N 2.84Å; R750-R753 PolarHBondContact O-N 2.75Å; R750-H754 WeakPolarHBondContact O-CB 3.36Å; R750-H754 PolarHBondContact O-N 2.7Å
751M52.5Low47.4Very low76 Ų76109.5 Ų109.537%0.37451%0.505SS..Hα-helixtrans-71-42-177.1-69.1-62-86.800111.9Y747 A748 R753 H754 Y755Y747-M751 HydrophobicContact CD1-CG 3.83Å; Y747-M751 HydrophobicContact CD2-CG 4.47Å; Y747-M751 HydrophobicContact CE1-CG 3.54Å; Y747-M751 HydrophobicContact CE2-CG 4.24Å; Y747-M751 HydrophobicContact CE2-SD 4.5Å; Y747-M751 HydrophobicContact CG-CG 4.3Å; Y747-M751 WeakPolarHBondContact O-CG 3.5Å; Y747-M751 PolarHBondContact O-N 3.02Å; A748-M751 PolarHBondContact O-N 3.15Å; M751-R753 VanDerWaalsContact C-N 3.29Å; M751-R753 PolarHBondContact O-N 2.93Å; M751-H754 CarbonylContact O-C 3.55Å; M751-H754 PolarHBondContact O-N 3.14Å; M751-Y755 WeakPolarHBondContact O-CB 3.42Å; M751-Y755 PolarHBondContact O-N 3.06Å
752R52.5Low46.8Very low150 Ų150112.8 Ų112.857%0.56652%0.518SS*.Hα-helixtrans-55.4-45.7171-70.5-171.9-169.4173.35.5110.9S305 A748 Y755 Y756S305-R752 PolarHBondContact OG-NH1 3.2Å; S305-R752 PolarHBondContact OG-NH2 2.89Å; A748-R752 WeakPolarHBondContact O-CB 3.35Å; A748-R752 WeakPolarHBondContact O-CG 3.28Å; A748-R752 PolarHBondContact O-N 3.47Å; R752-Y755 PolarHBondContact O-N 3.05Å; R752-Y756 WeakPolarHBondContact O-CB 3.44Å; R752-Y756 PolarHBondContact O-N 3Å
753R50.5Low47Very low184 Ų184112 Ų11269%0.69451%0.506SS*.Hα-helixtrans-62.7-39.5172.9-76.9-177175.5-160.6-2.4113.2K749 R750 M751 H757K749-R753 WeakPolarHBondContact O-CG 3.27Å; R750-R753 PolarHBondContact O-N 2.75Å; M751-R753 VanDerWaalsContact C-N 3.29Å; M751-R753 PolarHBondContact O-N 2.93Å; R753-H757 WeakPolarHBondContact O-CB 3.49Å; R753-H757 PolarHBondContact O-CD2 3Å; R753-H757 PolarHBondContact O-N 3.27Å
754H52Low46.5Very low102 Ų102117 Ų11747%0.47252%0.521SS..Hα-helixtrans-68.1-39.5178.7-132.1-72.2000111.9R750 M751 H757 H758R750-H754 WeakPolarHBondContact O-CB 3.36Å; R750-H754 PolarHBondContact O-N 2.7Å; M751-H754 CarbonylContact O-C 3.55Å; M751-H754 PolarHBondContact O-N 3.14Å; H754-H757 PolarHBondContact O-N 2.96Å; H754-H758 AromaticContact CE1-CD2 3.75Å; H754-H758 AromaticContact CE1-NE2 3.41Å; H754-H758 PolarHBondContact CE1-NE2 2.8Å; H754-H758 AromaticContact ND1-CD2 3.28Å; H754-H758 PolarHBondContact ND1-CD2 3.49Å; H754-H758 VanDerWaalsContact ND1-CD2 3.28Å; H754-H758 AromaticContact ND1-NE2 3.45Å; H754-H758 PolarHBondContact ND1-NE2 3.16Å; H754-H758 WeakPolarHBondContact O-CB 3.26Å; H754-H758 PolarHBondContact O-CD2 2.81Å; H754-H758 VanDerWaalsContact O-CD2 3.27Å; H754-H758 PolarHBondContact O-N 2.85Å
755Y44.8Very low45.5Very low123 Ų123121.9 Ų121.948%0.48256%0.556SS.*Hα-helixtrans-65.4-47.9176-148.4-90.8000110.4R727 M751 R752 H757 H758 H759R727-Y755 PolarHBondContact NH1-OH 3.16Å; M751-Y755 WeakPolarHBondContact O-CB 3.42Å; M751-Y755 PolarHBondContact O-N 3.06Å; R752-Y755 PolarHBondContact O-N 3.05Å; Y755-H757 VanDerWaalsContact C-N 3.34Å; Y755-H757 PolarHBondContact O-N 2.56Å; Y755-H758 PolarHBondContact O-N 2.78Å; Y755-H758 VanDerWaalsContact O-N 3.09Å; Y755-H759 AromaticContact CD1-CD2 3.59Å; Y755-H759 AromaticContact CE1-CD2 3.35Å; Y755-H759 WeakPolarHBondContact CE1-CD2 3.47Å; Y755-H759 AromaticContact CE1-CG 3.89Å; Y755-H759 AromaticContact CE1-NE2 3.65Å; Y755-H759 AromaticContact CE2-NE2 3.89Å; Y755-H759 AromaticContact CZ-CD2 3.61Å; Y755-H759 AromaticContact CZ-NE2 3.42Å; Y755-H759 PolarHBondContact O-N 2.87Å
756Y44.9Very low45Very low149 Ų149123.9 Ų123.958%0.58458%0.577SS**Hα-helixtrans-54.9-47.9172.9-129.4-89.7000111.7R752 H758 H760R752-Y756 WeakPolarHBondContact O-CB 3.44Å; R752-Y756 PolarHBondContact O-N 3Å; Y756-H758 VanDerWaalsContact C-N 3.26Å; Y756-H758 PolarHBondContact O-N 2.7Å; Y756-H760 AromaticContact CE1-CD2 3.95Å; Y756-H760 PolarHBondContact O-N 2.89Å
757H47.7Very low44.7Very low139 Ų139121.4 Ų121.464%0.64458%0.58SS**Hα-helixtrans-72.8-8.1179-78.2-57.1000115.1R753 H754 Y755 S761R753-H757 WeakPolarHBondContact O-CB 3.49Å; R753-H757 PolarHBondContact O-CD2 3Å; R753-H757 PolarHBondContact O-N 3.27Å; H754-H757 PolarHBondContact O-N 2.96Å; Y755-H757 VanDerWaalsContact C-N 3.34Å; Y755-H757 PolarHBondContact O-N 2.56Å; H757-S761 VanDerWaalsContact O-CB 3.25Å; H757-S761 WeakPolarHBondContact O-CB 3.3Å; H757-S761 PolarHBondContact O-OG 2.71Å
758H49.2Very low43.9Very low99 Ų99121.4 Ų121.446%0.45860%0.601SS.*Hα-helixtrans-109.7-36.6176.1-86.6-93.9000113.7H754 Y755 Y756 S761 H762H754-H758 AromaticContact CE1-CD2 3.75Å; H754-H758 AromaticContact CE1-NE2 3.41Å; H754-H758 PolarHBondContact CE1-NE2 2.8Å; H754-H758 AromaticContact ND1-CD2 3.28Å; H754-H758 PolarHBondContact ND1-CD2 3.49Å; H754-H758 VanDerWaalsContact ND1-CD2 3.28Å; H754-H758 AromaticContact ND1-NE2 3.45Å; H754-H758 PolarHBondContact ND1-NE2 3.16Å; H754-H758 WeakPolarHBondContact O-CB 3.26Å; H754-H758 PolarHBondContact O-CD2 2.81Å; H754-H758 VanDerWaalsContact O-CD2 3.27Å; H754-H758 PolarHBondContact O-N 2.85Å; Y755-H758 PolarHBondContact O-N 2.78Å; Y755-H758 VanDerWaalsContact O-N 3.09Å; Y756-H758 VanDerWaalsContact C-N 3.26Å; Y756-H758 PolarHBondContact O-N 2.7Å; H758-S761 WeakPolarHBondContact CA-OG 3.08Å; H758-S761 PolarHBondContact O-OG 2.88Å; H758-H762 PolarHBondContact O-CD2 3.41Å
759H46Very low43.6Very low119 Ų119128.9 Ų128.955%0.55164%0.638SS**Hα-helixtrans-80.7-34.6177.8-81.3-91.8000113Y755Y755-H759 AromaticContact CD1-CD2 3.59Å; Y755-H759 AromaticContact CE1-CD2 3.35Å; Y755-H759 WeakPolarHBondContact CE1-CD2 3.47Å; Y755-H759 AromaticContact CE1-CG 3.89Å; Y755-H759 AromaticContact CE1-NE2 3.65Å; Y755-H759 AromaticContact CE2-NE2 3.89Å; Y755-H759 AromaticContact CZ-CD2 3.61Å; Y755-H759 AromaticContact CZ-NE2 3.42Å; Y755-H759 PolarHBondContact O-N 2.87Å
760H47.3Very low42.7Very low130 Ų130130.6 Ų130.660%0.60265%0.647SS**THydrogen-bonded Turntrans-86.6-3175.2-85.1-64.4000115.1Y756Y756-H760 AromaticContact CE1-CD2 3.95Å; Y756-H760 PolarHBondContact O-N 2.89Å
761S38.5Very low41.9Very low66 Ų66131 Ų13146%0.46266%0.656SS.*THydrogen-bonded Turntrans-95.7-5.6-178.1570000115H757 H758H757-S761 VanDerWaalsContact O-CB 3.25Å; H757-S761 WeakPolarHBondContact O-CB 3.3Å; H757-S761 PolarHBondContact O-OG 2.71Å; H758-S761 WeakPolarHBondContact CA-OG 3.08Å; H758-S761 PolarHBondContact O-OG 2.88Å
762H38Very low41.1Very low154 Ų154134.3 Ų134.371%0.71367%0.671SS**SBendtrans-92.2-6.6177.4-81.2-66.3000114.7H758 N764H758-H762 PolarHBondContact O-CD2 3.41Å; H762-N764 PolarHBondContact O-N 2.74Å
763I36.5Very low40.4Very low110 Ų110135.6 Ų135.656%0.56468%0.683SS**SBendtrans-97.178.7170-51.7176.1000108.7
764N32.2Very low39.6Very low153 Ų153131 Ų13182%0.81868%0.678SS**SBendtrans160.269.5159.6-87.1-37.5000111.4H762H762-N764 PolarHBondContact O-N 2.74Å
765S31.8Very low38.8Very low122 Ų122132 Ų13285%0.85369%0.692SS**  trans-163.470.2169.7-82.10000112.5
766S33.1Very low38.6Very low119 Ų119133.9 Ų133.983%0.83271%0.705SS**  trans-146.869.8176.659.60000111.6
767D39.7Very low38.1Very low169 Ų169132.8 Ų132.890%0.90471%0.709SS**  trans-145.9129.1165.3-136.7-15.1000108.5
768G32.4Very low37.7Very low68 Ų68133.4 Ų133.470%0.70172%0.717SS**  trans-141.4143.7-165.300000113.3
769L38.2Very low37Very low175 Ų175134.7 Ų134.792%0.91673%0.727SS**  trans-151.6142.8171.1-112.4157.3000111.8
770H34.1Very low36.4Very low154 Ų154140.5 Ų140.571%0.71375%0.745SS**  trans-71.5148.3-173-69.2-112.5000113.1
771H38.5Very low36Very low189 Ų189140 Ų14088%0.87575%0.753SS**  -163167.1108.1-104-9.6000114.6
772H35.3Very low35.8Very low146 Ų146148.8 Ų148.868%0.67678%0.776SS**  trans-94.2167.2-163.6-90.8-93.8000115.1
773H37.9Very low35.7Very low177 Ų177149.6 Ų149.682%0.81978%0.78SS**  trans94147.3155.4-53.5-72.2000118.1
774S34.4Very low35.7Very low87 Ų87153 Ų15361%0.60879%0.793SS**  cis-176.1139.2-32-160.50000108.1
775T35Very low35.7Very low123 Ų123154.7 Ų154.776%0.75579%0.788SS**  trans62.9163.7170.8780000116
776H39.4Very low36Very low163 Ų163156.6 Ų156.676%0.75578%0.783SS**  cis-143.8160.81.8-146.3-77.6000110.8
777N35.7Very low36Very low127 Ų127153.8 Ų153.868%0.67977%0.773SS**  trans-48.7149168.9-86.2-18.4000113.6
778D39.4Very low35.9Very low151 Ų151155.8 Ų155.881%0.80778%0.776SS**  -165.2164.395.6-127.2-34.9000117.3
779N34Very low36.1Very low126 Ų126156.8 Ų156.867%0.67477%0.773SS**  trans-95146.6-176.8-68.8-94000113
780R34.1Very low36Very low241 Ų241160.4 Ų160.491%0.90977%0.774SS**  169.3140.8123.2-94.9160.9-179.9-159.80.3114.9
781P37.5Very low36.1Very low119 Ų119160.1 Ų160.177%0.77377%0.773SS**  trans-93.5149.8161.736.2-32.1000112.4
782R34.8Very low36.2Very low252 Ų252160.3 Ų160.395%0.95177%0.774SS**  trans-166.2156.3156.7-116169.4-169.8-164.40.8114.4
783H34.9Very low36.3Very low170 Ų170160.1 Ų160.179%0.78777%0.773SS**  trans-76.5152.8178.5-59.1-94000113.6
784H37.7Very low36.3Very low181 Ų181159.9 Ų159.984%0.83877%0.772SS**  158164.6128.8-80.7-51.9000110.2
785R32.6Very low36.4Very low190 Ų190165.9 Ų165.972%0.71778%0.781SS**  cis-177.6133.6-40.3-167.2-171.9-163.4-148.813.3106.4
786H36.8Very low36.5Very low161 Ų161166.9 Ų166.975%0.74578%0.777SS**  trans66.2149.1-177.8-43.5-62.8000114.6
787G33.2Very low36.4Very low61 Ų61164.8 Ų164.863%0.62978%0.781SS**  cis138.1138.7-10.300000113.1
788H38.8Very low36.5Very low210 Ų210165.1 Ų165.197%0.97278%0.778SS**  trans-167.1168.2155.3-98.6-56.7000111
789S35.7Very low36.4Very low90 Ų90167 Ų16763%0.62978%0.781SS**  trans-135.4157.2-165.6167.50000112.3
790R35.9Very low36.6Very low251 Ų251168.2 Ų168.295%0.94778%0.783SS**  trans-152.9139.5146.8-109.8162.1-169.9-171.41.6112.1
791H36.5Very low36.7Very low148 Ų148160.1 Ų160.169%0.68577%0.768SS**  trans-96.8165.1-179.8-74.1-79.7000112.5
792H39.7Very low36.6Very low193 Ų193162.2 Ų162.289%0.89477%0.767SS**  -147145.7129.2-109.8-82000111.5
793H37.7Very low36.5Very low142 Ų142157.6 Ų157.666%0.65776%0.76SS**  trans-87160.8172.1-67.8-82.7000110.3
794H38.5Very low36.4Very low172 Ų172157.4 Ų157.480%0.79676%0.76SS**  -169179.856.5-116.7-37.3000109.8
795R35.6Very low36.2Very low212 Ų212154.7 Ų154.780%0.875%0.751SS**  cis-140.8-114.710.3-152167.2-152.1-163.33.6114.6
796H37.9Very low36.2Very low144 Ų144155.5 Ų155.567%0.66775%0.754SS**  trans-154.8149-166.2-82.3-99.1000113
797S37.3Very low36.1Very low120 Ų120155.8 Ų155.884%0.83976%0.756SS**  -155.9166.3115.8-1600000110.1
798Q37.5Very low36.1Very low134 Ų134160.7 Ų160.763%0.62677%0.768SS**  trans-142.4151.4-172.3-66.3178.1-52.700112.7
799H37.7Very low35.8Very low189 Ų189158.9 Ų158.988%0.87576%0.759SS**  trans-167.4120.4141.4-93.9-78.2000105.8
800H37.6Very low35.8Very low152 Ų152164.5 Ų164.570%0.70477%0.772SS**  65.3131.454.3-85.6-76.9000114.5
801A37.1Very low35.6Very low71 Ų71160.8 Ų160.859%0.58777%0.765SS**  cis-164.4164.92.800000115
802H35.8Very low35.2Very low163 Ų163157.9 Ų157.976%0.75576%0.762SS**  trans60.3163.3146.1-83.1-56.8000120.1
803L33Very low34.9Very low155 Ų155155.9 Ų155.981%0.81275%0.753SS**  cis-145.8-17815.3-133.2156.4000111.6
804Q31.8Very low34.6Very low166 Ų166156.3 Ų156.378%0.77676%0.755SS**  trans-124.8171-179.2-65.8167.4-86.700111.5
805D32.8Very low34.1Very low125 Ų125155.5 Ų155.567%0.66875%0.751SS**  trans100146.6137-145.330.7000121
806R32.9Very low34Very low207 Ų207154.6 Ų154.678%0.78176%0.755SS**  trans85.3105.5158.4-73153.7-171.6-123-10.1124.3
807H34.2Very low33.5Very low166 Ų166157.9 Ų157.977%0.76976%0.762SS**  13137.3128.8-58.8-80.6000121.5
808N33.3Very low33.3Very low165 Ų165157.9 Ų157.988%0.88276%0.762SS**  -170.2152.3103.5-100.5-50000114.3
809H34.2Very low32.8Very low172 Ų172154.8 Ų154.880%0.79676%0.755SS**  trans-80.2152.7166.7-74.9-72000111.6
810K34.3Very low32.5Very low207 Ų207154 Ų15490%0.975%0.754SS**  trans-163.9126.4130.6-111161.9-173.4178.30116.4
811H31.8Very low32Very low173 Ų173154.1 Ų154.180%0.80176%0.755SS**  trans-33142.7165.1-74.7-84.4000121.5
812S29Very low31.7Very low87 Ų87160.2 Ų160.261%0.60877%0.769SS**  86.4158.1121.9-164.60000121.3
813H33.9Very low31.5Very low152 Ų152160.8 Ų160.870%0.70477%0.772SS**  trans74.4138.7171.7-54.3-77.2000117.1
814Q29.9Very low31.5Very low150 Ų150158.9 Ų158.970%0.70177%0.768SS**  cis-161.4-176.9-29.2-134.2173.2-39.100109.1
815H28.8Very low31.5Very low155 Ų155156.2 Ų156.272%0.71877%0.768SS**  trans-44146.6178.4-41.1-88.2000114.5
816H33.9Very low31.3Very low193 Ų193154.9 Ų154.989%0.89477%0.769SS**  -145.1146.3109.1-122.3-82.7000113.1
817R26.6Very low31.2Very low213 Ų213152.4 Ų152.480%0.80477%0.771SS**  trans-102136.3-178.2175.7-170.5-172.6-176.64.6108.3
818S32.7Very low31.3Very low120 Ų120150.9 Ų150.984%0.83977%0.773SS**  trans-143.9106.5156.1-161.50000108.7
819S27.2Very low31.1Very low70 Ų70151 Ų15149%0.4977%0.774SS.*  trans-68.2153.1159.3-54.40000108.5
820M31.6Very low31.1Very low171 Ų171151.2 Ų151.284%0.84278%0.775SS**  trans-147.296.3150-149.4162.1-173.400107.7
821E26.4Very low31.1Very low156 Ų156149.3 Ų149.373%0.72978%0.775SS**  trans-68.5145.4171.4-64.1126.3162.900109.3
822F32.4Very low31.2Very low199 Ų199148.2 Ų148.287%0.87377%0.773SS**  trans-140.5133.7154.3-111.4-84.3000108.9
823E30Very low31.3Very low175 Ų175149.6 Ų149.682%0.81877%0.77SS**  trans-76.8161.1-168.6-77.9-80.6112.900113.3
824P34.5Very low31.3Very low114 Ų114150 Ų15074%0.7477%0.772SS**  trans-84.3162.3-176.935.1-36.5000113.8
825S30.7Very low31.4Very low110 Ų110151.5 Ų151.577%0.76978%0.776SS**  trans-141.1108.1169.661.50000112.8
826S30Very low31.8Very low98 Ų98151 Ų15169%0.68578%0.777SS**  trans11.9129.4148.856.20000121.4
827D30.5Very low31.7Very low155 Ų155146 Ų14683%0.82976%0.762SS**  58.7104.8126.8-46.8-27.6000121.1
828V35.2Very low32Very low134 Ų134147.1 Ų147.181%0.81277%0.766SS**  trans-139.4133.9133.8-168.60000108.1E830V828-E830 HydrophobicContact CG1-CG 4.5Å
829N30Very low32.6Very low168 Ų168146.8 Ų146.890%0.89876%0.755SS**  trans-94.4134.5167.7-74.9-47.5000109.4
830E34.9Very low33.7Very low175 Ų175147.7 Ų147.782%0.81875%0.754SS**  trans-136139164.5-73.5-165.4139.500111V828 I832V828-E830 HydrophobicContact CG1-CG 4.5Å; E830-I832 PolarHBondContact O-N 3.4Å
831D32.6Very low34.9Very low168 Ų168143.1 Ų143.190%0.89874%0.737SS**  trans-77.7106.3-172.2-68.9-72000113.2E833D831-E833 PolarHBondContact O-N 3.35Å
832I33.9Very low36.8Very low149 Ų149138.7 Ų138.776%0.76472%0.723SS**  trans-89.989.6174.5-56.1-177.9000110.4E830 Q834E830-I832 PolarHBondContact O-N 3.4Å; I832-Q834 PolarHBondContact O-N 3.13Å
833E32.3Very low38.2Very low116 Ų116132.7 Ų132.754%0.54270%0.703SS.*  trans-60108.4159.9-77.7-156.2135.800109.9M1 D831 K835M1-E833 PolarHBondContact N-OE1 3.5Å; D831-E833 PolarHBondContact O-N 3.35Å; E833-K835 VanDerWaalsContact C-N 3.27Å; E833-K835 PolarHBondContact O-N 2.86Å
834Q33.8Very low39.9Very low160 Ų160127.6 Ų127.675%0.74868%0.684SS**  trans-69.383.8172.8-71.2-171-11.900110.9I832 I836I832-Q834 PolarHBondContact O-N 3.13Å; Q834-I836 PolarHBondContact O-N 3.44Å; Q834-I836 VanDerWaalsContact O-N 3.12Å
835K32.4Very low41.5Very low182 Ų182130.1 Ų130.179%0.79168%0.678SS**  trans-58.9113166.7-76.6172.5179.51630109.1E833E833-K835 VanDerWaalsContact C-N 3.27Å; E833-K835 PolarHBondContact O-N 2.86Å
836I35.5Very low43.5Very low144 Ų144128.3 Ų128.374%0.73867%0.666SS**  trans-47.4133.4162.1-60.4171.5000107.5Q834 R838Q834-I836 PolarHBondContact O-N 3.44Å; Q834-I836 VanDerWaalsContact O-N 3.12Å; I836-R838 VanDerWaalsContact C-N 3.31Å; I836-R838 PolarHBondContact O-N 3.32Å
837P31.8Very low45.1Very low88 Ų88126 Ų12657%0.57165%0.653SS**  trans-65.992.1178.227-34.3000109.6L839P837-L839 PolarHBondContact O-N 3.36Å; P837-L839 VanDerWaalsContact O-N 3.16Å
838R34.9Very low47.2Very low237 Ų237123.2 Ų123.289%0.89464%0.637SS**PPolyproline II helixtrans-60.6117.8172.7-73.1-177.2171.6175.4-3.5107.9I836 D840I836-R838 VanDerWaalsContact C-N 3.31Å; I836-R838 PolarHBondContact O-N 3.32Å; R838-D840 PolarHBondContact O-N 3.22Å
839L45.1Very low49.2Very low114 Ų114121.1 Ų121.160%0.59762%0.621SS**PPolyproline II helixtrans-50.3128.3162.9-84.4153.7000108.2P837 P841 V844P837-L839 PolarHBondContact O-N 3.36Å; P837-L839 VanDerWaalsContact O-N 3.16Å; L839-P841 WeakPolarHBondContact O-CD 3.22Å; L839-V844 HydrophobicContact CB-CG2 4.13Å
840D50.2Low51.5Low88 Ų88116.2 Ų116.247%0.47160%0.601SS.*PPolyproline II helixtrans-57.9125.9-179.5177.6-0.4000109.3R838 S842 V843 V844R838-D840 PolarHBondContact O-N 3.22Å; D840-S842 PolarHBondContact O-N 3.28Å; D840-S842 WeakPolarHBondContact OD1-CB 3.49Å; D840-S842 PolarHBondContact OD1-N 2.73Å; D840-S842 PolarHBondContact OD1-OG 3.19Å; D840-S842 WeakPolarHBondContact OD2-CB 3.48Å; D840-S842 PolarHBondContact OD2-OG 3.43Å; D840-V843 HydrophobicContact CB-CG2 4.14Å; D840-V843 WeakPolarHBondContact O-CB 3.35Å; D840-V843 PolarHBondContact O-N 3.48Å; D840-V844 PolarHBondContact O-N 2.91Å
841P55.6Low53.3Low75 Ų75112.1 Ų112.149%0.48758%0.583SS.*Hα-helixtrans-51-24.2172.3-28.836.5000114.2L839 R845L839-P841 WeakPolarHBondContact O-CD 3.22Å; P841-R845 WeakPolarHBondContact O-CB 3.47Å; P841-R845 WeakPolarHBondContact O-CG 3.16Å; P841-R845 PolarHBondContact O-N 2.94Å
842S66.1Low55.5Low63 Ų63110.9 Ų110.944%0.44157%0.566SS.*Hα-helixtrans-65-41.3171.886.80000112.7D840 S846D840-S842 PolarHBondContact O-N 3.28Å; D840-S842 WeakPolarHBondContact OD1-CB 3.49Å; D840-S842 PolarHBondContact OD1-N 2.73Å; D840-S842 PolarHBondContact OD1-OG 3.19Å; D840-S842 WeakPolarHBondContact OD2-CB 3.48Å; D840-S842 PolarHBondContact OD2-OG 3.43Å; S842-S846 VanDerWaalsContact O-CB 3.29Å; S842-S846 WeakPolarHBondContact O-CB 3.43Å; S842-S846 PolarHBondContact O-N 3.46Å
843V63.1Low57.7Low74 Ų74107.9 Ų107.945%0.44856%0.555SS.*Hα-helixtrans-71.4-41.51791770000110.3D840 S846 A847D840-V843 HydrophobicContact CB-CG2 4.14Å; D840-V843 WeakPolarHBondContact O-CB 3.35Å; D840-V843 PolarHBondContact O-N 3.48Å; V843-S846 PolarHBondContact O-N 3.14Å; V843-A847 PolarHBondContact O-N 2.93Å
844V64.3Low60Low68 Ų68108.5 Ų108.541%0.41256%0.558SS.*Hα-helixtrans-63.7-43.8176-177.80000110.9L839 D840 A847 L848L839-V844 HydrophobicContact CB-CG2 4.13Å; D840-V844 PolarHBondContact O-N 2.91Å; V844-A847 PolarHBondContact O-N 2.88Å; V844-L848 HydrophobicContact CG1-CD1 4.16Å; V844-L848 WeakPolarHBondContact O-CG 3.21Å; V844-L848 PolarHBondContact O-N 3.28Å
845R67.9Low62.1Low166 Ų166109.9 Ų109.963%0.62656%0.556SS**Hα-helixtrans-63.1-45.8173.6-72.5171.5-158.8166.26.5112.1P841 A847 L848 D849P841-R845 WeakPolarHBondContact O-CB 3.47Å; P841-R845 WeakPolarHBondContact O-CG 3.16Å; P841-R845 PolarHBondContact O-N 2.94Å; R845-A847 VanDerWaalsContact C-N 3.29Å; R845-A847 PolarHBondContact O-N 3.24Å; R845-L848 CarbonylContact O-C 3.51Å; R845-L848 PolarHBondContact O-N 3.07Å; R845-L848 VanDerWaalsContact O-N 3.08Å; R845-D849 WeakPolarHBondContact O-CB 3.2Å; R845-D849 PolarHBondContact O-N 2.8Å
846S73.4Confident64.4Low72 Ų72104.9 Ų104.950%0.50354%0.535SS..Hα-helixtrans-58.3-39.6178.2-173.30000112.5S842 V843 S850S842-S846 VanDerWaalsContact O-CB 3.29Å; S842-S846 WeakPolarHBondContact O-CB 3.43Å; S842-S846 PolarHBondContact O-N 3.46Å; V843-S846 PolarHBondContact O-N 3.14Å; S846-S850 WeakPolarHBondContact O-CB 3.24Å; S846-S850 PolarHBondContact O-N 3.02Å; S846-S850 PolarHBondContact O-OG 3.29Å
847A63.6Low66.6Low51 Ų51102.2 Ų102.242%0.42152%0.523SS..Hα-helixtrans-65.2-45.5172.400000112.4V843 V844 R845 S850 I851V843-A847 PolarHBondContact O-N 2.93Å; V844-A847 PolarHBondContact O-N 2.88Å; R845-A847 VanDerWaalsContact C-N 3.29Å; R845-A847 PolarHBondContact O-N 3.24Å; A847-S850 WeakPolarHBondContact O-CB 3.31Å; A847-S850 PolarHBondContact O-N 3.48Å; A847-I851 VanDerWaalsContact O-CG1 3.32Å; A847-I851 WeakPolarHBondContact O-CG1 3.39Å; A847-I851 PolarHBondContact O-N 3.37Å
848L74.1Confident68.7Low96 Ų96100.3 Ų100.350%0.50351%0.508SS..Hα-helixtrans-64.9-39177.7-71.1169.4000112.8V844 R845 I851 R852V844-L848 HydrophobicContact CG1-CD1 4.16Å; V844-L848 WeakPolarHBondContact O-CG 3.21Å; V844-L848 PolarHBondContact O-N 3.28Å; R845-L848 CarbonylContact O-C 3.51Å; R845-L848 PolarHBondContact O-N 3.07Å; R845-L848 VanDerWaalsContact O-N 3.08Å; L848-I851 PolarHBondContact O-N 2.77Å; L848-R852 WeakPolarHBondContact O-CB 3.15Å; L848-R852 WeakPolarHBondContact O-CG 3.13Å; L848-R852 PolarHBondContact O-N 3.15Å
849D78.5Confident70.8Confident89 Ų8995.9 Ų95.948%0.47649%0.491SS..Hα-helixtrans-71.5-32.4176.3-73.4-32.1000111.8R845 R852 T853R845-D849 WeakPolarHBondContact O-CB 3.2Å; R845-D849 PolarHBondContact O-N 2.8Å; D849-R852 PolarHBondContact O-N 3.16Å; D849-T853 WeakPolarHBondContact O-CB 3.33Å; D849-T853 WeakPolarHBondContact O-CG2 3.38Å; D849-T853 PolarHBondContact O-N 3.12Å; D849-T853 PolarHBondContact O-OG1 3.18Å
850S77Confident72.5Confident66 Ų6695.2 Ų95.246%0.46248%0.483SS..Hα-helixtrans-63-46.6169-59.40000111.1S846 A847 R852 T853 E854S846-S850 WeakPolarHBondContact O-CB 3.24Å; S846-S850 PolarHBondContact O-N 3.02Å; S846-S850 PolarHBondContact O-OG 3.29Å; A847-S850 WeakPolarHBondContact O-CB 3.31Å; A847-S850 PolarHBondContact O-N 3.48Å; S850-R852 PolarHBondContact O-N 3.08Å; S850-T853 WeakPolarHBondContact CA-OG1 3.36Å; S850-T853 PolarHBondContact O-N 3.35Å; S850-T853 PolarHBondContact O-OG1 3.39Å; S850-T853 VanDerWaalsContact O-OG1 3.06Å; S850-E854 WeakPolarHBondContact O-CB 3.41Å; S850-E854 PolarHBondContact O-N 3.45Å
851I72.9Confident73.6Confident88 Ų8897.6 Ų97.645%0.45149%0.486SS..Hα-helixtrans-64.9-40.3176.8-67163.3000111.4A847 L848 R855A847-I851 VanDerWaalsContact O-CG1 3.32Å; A847-I851 WeakPolarHBondContact O-CG1 3.39Å; A847-I851 PolarHBondContact O-N 3.37Å; L848-I851 PolarHBondContact O-N 2.77Å; I851-R855 WeakPolarHBondContact O-CB 3.42Å; I851-R855 WeakPolarHBondContact O-CG 3.46Å; I851-R855 PolarHBondContact O-N 2.87Å
852R79.6Confident74.5Confident143 Ų143100.2 Ų100.254%0.5449%0.489SS..Hα-helixtrans-63.4-45.6175-80.1178.6165-177.2-6111.7E109 L848 D849 S850 E856E109-R852 IonicContact OE1-NH2 2.7Å; E109-R852 PolarHBondContact OE1-NH2 2.96Å; L848-R852 WeakPolarHBondContact O-CB 3.15Å; L848-R852 WeakPolarHBondContact O-CG 3.13Å; L848-R852 PolarHBondContact O-N 3.15Å; D849-R852 PolarHBondContact O-N 3.16Å; S850-R852 PolarHBondContact O-N 3.08Å; R852-E856 WeakPolarHBondContact O-CB 3.21Å; R852-E856 PolarHBondContact O-N 3.08Å
853T79.8Confident74.7Confident85 Ų85102.6 Ų102.652%0.52150%0.497SS..Hα-helixtrans-69.7-33.7178.7500000112.9D849 S850 N857D849-T853 WeakPolarHBondContact O-CB 3.33Å; D849-T853 WeakPolarHBondContact O-CG2 3.38Å; D849-T853 PolarHBondContact O-N 3.12Å; D849-T853 PolarHBondContact O-OG1 3.18Å; S850-T853 WeakPolarHBondContact CA-OG1 3.36Å; S850-T853 PolarHBondContact O-N 3.35Å; S850-T853 PolarHBondContact O-OG1 3.39Å; S850-T853 VanDerWaalsContact O-OG1 3.06Å; T853-N857 WeakPolarHBondContact O-CB 3.23Å; T853-N857 VanDerWaalsContact O-CG 3.28Å; T853-N857 PolarHBondContact O-N 3.24Å; T853-N857 PolarHBondContact O-ND2 2.87Å
854E79.5Confident74.9Confident130 Ų130108.6 Ų108.661%0.60751%0.511SS*.Hα-helixtrans-67.2-48.5172.2-176.9159.4-138.900112.2S850 E856 N857 D858S850-E854 WeakPolarHBondContact O-CB 3.41Å; S850-E854 PolarHBondContact O-N 3.45Å; E854-E856 VanDerWaalsContact C-N 3.26Å; E854-E856 PolarHBondContact O-N 2.97Å; E854-N857 PolarHBondContact O-N 2.83Å; E854-N857 VanDerWaalsContact O-N 3.14Å; E854-D858 PolarHBondContact O-N 2.64Å
855R78.7Confident74.7Confident188 Ų188113.8 Ų113.871%0.70952%0.523SS*.Hα-helixtrans-55.7-41.5174.9-77.2-178.8173.2-160.9-2.1111.8I851 D858 R859I851-R855 WeakPolarHBondContact O-CB 3.42Å; I851-R855 WeakPolarHBondContact O-CG 3.46Å; I851-R855 PolarHBondContact O-N 2.87Å; R855-D858 PolarHBondContact O-N 2.66Å; R855-R859 PolarHBondContact O-N 2.98Å
856E81.1Confident74.1Confident77 Ų77114 Ų11436%0.3653%0.529SS..Hα-helixtrans-72.1-36.6177.6175.251.7-159.900113.1R852 E854 D858 R859 K860R852-E856 WeakPolarHBondContact O-CB 3.21Å; R852-E856 PolarHBondContact O-N 3.08Å; E854-E856 VanDerWaalsContact C-N 3.26Å; E854-E856 PolarHBondContact O-N 2.97Å; E856-D858 VanDerWaalsContact C-N 3.28Å; E856-D858 PolarHBondContact O-N 2.84Å; E856-R859 WeakPolarHBondContact O-CB 3.09Å; E856-R859 PolarHBondContact O-N 3.31Å; E856-K860 VanDerWaalsContact CG-NZ 3.34Å; E856-K860 WeakPolarHBondContact O-CB 3.44Å; E856-K860 WeakPolarHBondContact O-CG 3.46Å; E856-K860 PolarHBondContact O-N 3.45Å; E856-K860 WeakPolarHBondContact OE1-CE 3.48Å; E856-K860 IonicContact OE1-NZ 2.75Å; E856-K860 PolarHBondContact OE1-NZ 3.06Å
857N81Confident73.2Confident88 Ų88114 Ų11447%0.47153%0.529SS..Hα-helixtrans-62.6-36.2171.5-82-39.1000111.9T853 E854 K860 R861T853-N857 WeakPolarHBondContact O-CB 3.23Å; T853-N857 VanDerWaalsContact O-CG 3.28Å; T853-N857 PolarHBondContact O-N 3.24Å; T853-N857 PolarHBondContact O-ND2 2.87Å; E854-N857 PolarHBondContact O-N 2.83Å; E854-N857 VanDerWaalsContact O-N 3.14Å; N857-K860 WeakPolarHBondContact O-CB 3.41Å; N857-K860 PolarHBondContact O-N 3.24Å; N857-R861 WeakPolarHBondContact O-CG 3.48Å; N857-R861 PolarHBondContact O-N 3.15Å
858D76.5Confident72.7Confident49 Ų49118.9 Ų118.926%0.26254%0.54SS..Hα-helixtrans-76.1-33.3176.5-13765.1000112.9E854 R855 E856 K860 R861 K862E854-D858 PolarHBondContact O-N 2.64Å; R855-D858 PolarHBondContact O-N 2.66Å; E856-D858 VanDerWaalsContact C-N 3.28Å; E856-D858 PolarHBondContact O-N 2.84Å; D858-K860 VanDerWaalsContact C-N 3.34Å; D858-K860 PolarHBondContact O-N 3.01Å; D858-R861 PolarHBondContact O-N 2.99Å; D858-R861 WeakPolarHBondContact OD1-CD 3.18Å; D858-R861 IonicContact OD1-CZ 3.3Å; D858-R861 IonicContact OD1-NE 2.67Å; D858-R861 IonicContact OD1-NH1 3.85Å; D858-R861 PolarHBondContact OD1-NH1 3.23Å; D858-K862 WeakPolarHBondContact O-CG 3.44Å; D858-K862 PolarHBondContact O-N 3.03Å; D858-K862 WeakPolarHBondContact OD2-CE 3.36Å; D858-K862 IonicContact OD2-NZ 3.24Å
859R78.3Confident71.5Confident143 Ų143117.4 Ų117.454%0.5453%0.533SS..Hα-helixtrans-57.4-46.6166.2-141.7171.3-174.2135.91110.6R855 E856 K862 L863 T1343R855-R859 PolarHBondContact O-N 2.98Å; E856-R859 WeakPolarHBondContact O-CB 3.09Å; E856-R859 PolarHBondContact O-N 3.31Å; R859-K862 PolarHBondContact O-N 3.22Å; R859-L863 WeakPolarHBondContact O-CG 3.22Å; R859-L863 PolarHBondContact O-N 3.37Å; R859-T1343 PolarHBondContact NH2-OG1 3.31Å
860K80.6Confident69.9Low100 Ų100122.1 Ų122.144%0.43555%0.55SS..Hα-helixtrans-63.1-39.1173.1-74.2174.5166.799.80113.2E856 N857 D858 L863 R864E856-K860 VanDerWaalsContact CG-NZ 3.34Å; E856-K860 WeakPolarHBondContact O-CB 3.44Å; E856-K860 WeakPolarHBondContact O-CG 3.46Å; E856-K860 PolarHBondContact O-N 3.45Å; E856-K860 WeakPolarHBondContact OE1-CE 3.48Å; E856-K860 IonicContact OE1-NZ 2.75Å; E856-K860 PolarHBondContact OE1-NZ 3.06Å; N857-K860 WeakPolarHBondContact O-CB 3.41Å; N857-K860 PolarHBondContact O-N 3.24Å; D858-K860 VanDerWaalsContact C-N 3.34Å; D858-K860 PolarHBondContact O-N 3.01Å; K860-L863 PolarHBondContact O-N 2.87Å; K860-R864 WeakPolarHBondContact O-CB 3.28Å; K860-R864 WeakPolarHBondContact O-CG 3.38Å; K860-R864 PolarHBondContact O-N 3.17Å
861R74.9Confident68.3Low138 Ų138128.7 Ų128.752%0.52156%0.564SS.*Hα-helixtrans-63.1-45.6173.8-76.1163.2172.9166.81.1111.6N857 D858 R864 R865N857-R861 WeakPolarHBondContact O-CG 3.48Å; N857-R861 PolarHBondContact O-N 3.15Å; D858-R861 PolarHBondContact O-N 2.99Å; D858-R861 WeakPolarHBondContact OD1-CD 3.18Å; D858-R861 IonicContact OD1-CZ 3.3Å; D858-R861 IonicContact OD1-NE 2.67Å; D858-R861 IonicContact OD1-NH1 3.85Å; D858-R861 PolarHBondContact OD1-NH1 3.23Å; R861-R864 PolarHBondContact O-N 3.2Å; R861-R865 PolarHBondContact O-N 3.26Å
862K74.3Confident66.8Low131 Ų131131.8 Ų131.857%0.5758%0.576SS**Hα-helixtrans-62-42.1176.9-70.8172.1-176.4178.60111.4D858 R859 R865 K866D858-K862 WeakPolarHBondContact O-CG 3.44Å; D858-K862 PolarHBondContact O-N 3.03Å; D858-K862 WeakPolarHBondContact OD2-CE 3.36Å; D858-K862 IonicContact OD2-NZ 3.24Å; R859-K862 PolarHBondContact O-N 3.22Å; K862-R865 PolarHBondContact O-N 2.99Å; K862-K866 PolarHBondContact O-N 3.5Å
863L70.8Confident64.9Low113 Ų113129.7 Ų129.759%0.59257%0.573SS**Hα-helixtrans-62.5-44.4172.5-75.3164.5000112.9R859 K860 R865 K866 S867R859-L863 WeakPolarHBondContact O-CG 3.22Å; R859-L863 PolarHBondContact O-N 3.37Å; K860-L863 PolarHBondContact O-N 2.87Å; L863-R865 VanDerWaalsContact C-N 3.31Å; L863-R865 PolarHBondContact O-N 3.25Å; L863-K866 PolarHBondContact O-N 3.48Å; L863-S867 WeakPolarHBondContact O-CB 3.11Å; L863-S867 PolarHBondContact O-N 3.22Å
864R66.2Low62.8Low200 Ų200134.9 Ų134.976%0.75559%0.588SS**Hα-helixtrans-66.4-29.2176.7-70.8177.991.3-172.88.1112.9K860 R861 K868K860-R864 WeakPolarHBondContact O-CB 3.28Å; K860-R864 WeakPolarHBondContact O-CG 3.38Å; K860-R864 PolarHBondContact O-N 3.17Å; R861-R864 PolarHBondContact O-N 3.2Å; R864-K868 PolarHBondContact O-N 2.76Å
865R59.8Low60.7Low176 Ų176139.2 Ų139.266%0.66460%0.598SS**Hα-helixtrans-66.7-54.8169.3-79.8177.1164.8144-5.5111.1R861 K862 L863 S867 K868 N869R861-R865 PolarHBondContact O-N 3.26Å; K862-R865 PolarHBondContact O-N 2.99Å; L863-R865 VanDerWaalsContact C-N 3.31Å; L863-R865 PolarHBondContact O-N 3.25Å; R865-S867 PolarHBondContact O-N 2.8Å; R865-S867 VanDerWaalsContact O-N 3.17Å; R865-K868 PolarHBondContact O-N 2.92Å; R865-N869 PolarHBondContact O-N 3.26Å; R865-N869 PolarHBondContact O-OD1 3.44Å
866K56.7Low58.8Low171 Ų171139 Ų13974%0.74361%0.605SS**Hα-helixtrans-54.2-37.4175.6-73-168.1174.4-171.40112.8K862 L863 K868 K870K862-K866 PolarHBondContact O-N 3.5Å; L863-K866 PolarHBondContact O-N 3.48Å; K866-K868 VanDerWaalsContact C-N 3.34Å; K866-K868 PolarHBondContact O-N 3.32Å; K866-K870 PolarHBondContact O-N 2.86Å
867S54.5Low56.5Low72 Ų72147.2 Ų147.250%0.50363%0.633SS.*Hα-helixtrans-72.1-19.7178.1-161.50000114.8L863 R865L863-S867 WeakPolarHBondContact O-CB 3.11Å; L863-S867 PolarHBondContact O-N 3.22Å; R865-S867 PolarHBondContact O-N 2.8Å; R865-S867 VanDerWaalsContact O-N 3.17Å
868K51.5Low54.1Low153 Ų153154 Ų15467%0.66565%0.652SS**Hα-helixtrans-80.1-48.4174-82-173.8173.9-171.10112.1R864 R865 K866 K870 R871R864-K868 PolarHBondContact O-N 2.76Å; R865-K868 PolarHBondContact O-N 2.92Å; K866-K868 VanDerWaalsContact C-N 3.34Å; K866-K868 PolarHBondContact O-N 3.32Å; K868-K870 VanDerWaalsContact C-N 3.3Å; K868-K870 PolarHBondContact O-N 2.79Å; K868-R871 WeakPolarHBondContact O-CB 3.35Å; K868-R871 PolarHBondContact O-N 3.04Å
869N48.6Very low52Low65 Ų65158.9 Ų158.935%0.34868%0.678SS.*Hα-helixtrans-62.3-39.7-179.5-66.944.9000110.8R865 R871 H872 H873R865-N869 PolarHBondContact O-N 3.26Å; R865-N869 PolarHBondContact O-OD1 3.44Å; N869-R871 PolarHBondContact O-N 3.08Å; N869-H872 PolarHBondContact O-N 3.33Å; N869-H873 PolarHBondContact O-CD2 2.97Å; N869-H873 VanDerWaalsContact O-CD2 3.31Å
870K45.4Very low50.1Low189 Ų189157.6 Ų157.682%0.82269%0.691SS**THydrogen-bonded Turntrans-65.21.6173.7-133.4169.8-170.1173.10115.2K866 K868K866-K870 PolarHBondContact O-N 2.86Å; K868-K870 VanDerWaalsContact C-N 3.3Å; K868-K870 PolarHBondContact O-N 2.79Å
871R43.2Very low47.8Very low204 Ų204156.9 Ų156.977%0.7770%0.699SS**THydrogen-bonded Turntrans-106.6-9.1169.8-76.1-175.2169.1-165.8-2.5114.7K868 N869K868-R871 WeakPolarHBondContact O-CB 3.35Å; K868-R871 PolarHBondContact O-N 3.04Å; N869-R871 PolarHBondContact O-N 3.08Å
872H41.5Very low45.9Very low152 Ų152158.1 Ų158.170%0.70471%0.71SS**THydrogen-bonded Turntrans-87.6-44.3179.4-94.4-105.3000113.7N869 K874N869-H872 PolarHBondContact O-N 3.33Å; H872-K874 PolarHBondContact O-N 3.33Å
873H39.6Very low43.8Very low100 Ų100159.3 Ų159.346%0.46372%0.717SS.*THydrogen-bonded Turntrans-68.41.8-178.3-49.5-76.3000115.1N869 T1333 E1334N869-H873 PolarHBondContact O-CD2 2.97Å; N869-H873 VanDerWaalsContact O-CD2 3.31Å; H873-T1333 PolarHBondContact CE1-OG1 3.04Å; H873-E1334 IonicContact CE1-OE1 3.91Å; H873-E1334 PolarHBondContact CE1-OE1 3.26Å; H873-E1334 IonicContact CE1-OE2 2.79Å; H873-E1334 PolarHBondContact CE1-OE2 3.36Å; H873-E1334 VanDerWaalsContact CE1-OE2 3.28Å; H873-E1334 IonicContact CG-OE2 2.65Å; H873-E1334 VanDerWaalsContact ND1-CD 3.3Å; H873-E1334 IonicContact ND1-OE1 3.84Å; H873-E1334 IonicContact ND1-OE2 3.96Å; H873-E1334 PolarHBondContact ND1-OE2 3.28Å
874K36.7Very low42.2Very low193 Ų193163.3 Ų163.384%0.83973%0.733SS**THydrogen-bonded Turntrans-99.330.4179.8-147.6162.6-169.8167.90113.9H872H872-K874 PolarHBondContact O-N 3.33Å
875R35.5Very low40.6Very low221 Ų221159.9 Ų159.983%0.83473%0.73SS**SBendtrans-129.8-2.9-176.6-104.9-175.7176.5-166.3-1.4117.8
876H37.6Very low39.3Very low183 Ų183155.5 Ų155.585%0.84773%0.731SS**SBendtrans-131.773.6178.6-87.3-87.8000114.2
877R33.3Very low38.3Very low250 Ų250156.8 Ų156.894%0.94374%0.736SS**  trans-172.1102.3142.9-106.4166.4-177.1172.92.8109.8
878R30Very low37.1Very low232 Ų232161.4 Ų161.488%0.87575%0.75SS**  trans-109.6131.7152.8-72.3179.3173.8167.2-3.6106
879D34.2Very low36.3Very low150 Ų150163.6 Ų163.680%0.80276%0.76SS**  169.9150.1120.4-83.5-13.4000110.6
880S36.8Very low35.4Very low116 Ų116168.1 Ų168.181%0.81178%0.784SS**  trans66.4142.7174.3-55.60000118.5
881S32.2Very low34.8Very low86 Ų86166.8 Ų166.860%0.60178%0.784SS**  cis-172.2161.7-39.739.30000109.7
882H36.3Very low34.3Very low164 Ų164162 Ų16276%0.75978%0.781SS**  trans72.5116.5176.5-54.2-77.7000115.2
883H30.5Very low33.7Very low156 Ų156161.6 Ų161.672%0.72278%0.784SS**  69.8107.573.5-92.1-68.2000114D885H883-D885 IonicContact CE1-OD2 3.16Å; H883-D885 IonicContact ND1-OD2 2.69Å; H883-D885 PolarHBondContact ND1-OD2 3.44Å
884E37.2Very low33.3Very low196 Ų196163 Ų16392%0.91679%0.793SS**  -156.3171.690.5-109.8-172-179.100111.8
885D32.1Very low33.2Very low129 Ų129160.7 Ų160.769%0.6979%0.791SS**  trans-115.5145.8-158.8-72-86.9000115H883H883-D885 IonicContact CE1-OD2 3.16Å; H883-D885 IonicContact ND1-OD2 2.69Å; H883-D885 PolarHBondContact ND1-OD2 3.44Å
886A31.5Very low32.9Very low83 Ų83156 Ų15669%0.68678%0.782SS**  trans50.2127.1146.800000121.3
887K36.2Very low32.8Very low198 Ų198155.3 Ų155.386%0.86178%0.784SS**  -164.1154.1108.3-101.1140.9-161.3146.10114.5
888E29.5Very low32.6Very low169 Ų169147.9 Ų147.979%0.7977%0.766SS**  trans-72.2156.4171.1-47.1136.4109.700111.2
889K35.3Very low32.8Very low200 Ų200144.9 Ų144.987%0.8777%0.766SS**  -172.9147.1118.8-101.3153.2-171.1176.70113.5
890N29.7Very low32.5Very low159 Ų159143.1 Ų143.185%0.8576%0.756SS**  trans-67.6132.6164.2-60.9-67.9000110.1
891I32.9Very low32.5Very low161 Ų161145.8 Ų145.883%0.82676%0.761SS**  trans-132.9121.5149.2-65.4-178.4000107.3
892S32.2Very low32.3Very low103 Ų103149.6 Ų149.672%0.7277%0.77SS**  trans-120.9112.1164.756.40000107.1
893L29.1Very low32.2Very low145 Ų145145.6 Ų145.676%0.75977%0.773SS**  trans-172.4136.8166.8-130.770.7000109.7
894I30.2Very low32.1Very low128 Ų128141.8 Ų141.866%0.65678%0.776SS**  trans55.8129.3134-73.3176.1000117.3
895D34.1Very low31.7Very low146 Ų146139.2 Ų139.278%0.78177%0.768SS**  -145.3171.755.7-130.9-38.7000116.9
896N30.4Very low31.7Very low121 Ų121140.2 Ų140.265%0.64777%0.77SS**  trans-117.3133.7175.4-59.4-96.3000111.7T898N896-T898 HydrophobicContact CB-CG2 4.5Å
897L34.5Very low31.7Very low170 Ų170145.3 Ų145.389%0.8978%0.777SS**  trans-145.5110.5151.8-75.1175.2000104.9
898T29.3Very low31.6Very low94 Ų94139.6 Ų139.658%0.57777%0.774SS**  cis54.988.439.275.90000114.9N896N896-T898 HydrophobicContact CB-CG2 4.5Å
899I33.6Very low31.5Very low169 Ų169139 Ų13987%0.86778%0.776SS**  -112.4116.5126.4-62.8179.4000106.2
900N29.8Very low31.5Very low112 Ų112139 Ų13960%0.59978%0.78SS**  trans-94152.6157.3-68.3-37.6000106.5Q902N900-Q902 HydrophobicContact CB-CG 4.36Å
901D35.9Very low31.6Very low172 Ų172136.8 Ų136.892%0.9278%0.777SS**  trans-130.5153.7134.5-132.4-33.2000109.8
902Q28.8Very low31.7Very low166 Ų166135.4 Ų135.478%0.77678%0.781SS**  trans-126.2140.5-160-67.9-169.8-2.400115.5N900N900-Q902 HydrophobicContact CB-CG 4.36Å
903G32.4Very low31.6Very low81 Ų81135.8 Ų135.884%0.83578%0.784SS**  trans144110.5167.900000109.2
904G30.2Very low31.9Very low76 Ų76134.2 Ų134.278%0.78479%0.785SS**  cis124.8155.52800000107.1
905L28Very low31.8Very low141 Ų141133.1 Ų133.174%0.73879%0.789SS**  cis-163166.6-1-124.8173.2000107.9
906M32.7Very low31.6Very low150 Ų150131.2 Ų131.274%0.73979%0.787SS**  trans72.3116.1177.5-46.5-54175.600115.8
907F29.8Very low31.5Very low190 Ų190130.8 Ų130.883%0.83379%0.794SS**  82.8118.152-82.4-73.7000114.9
908G34Very low31.6Very low78 Ų78128 Ų12880%0.80479%0.788SS**  trans178.444.3178.500000115.2
909N29Very low31.8Very low156 Ų156129 Ų12983%0.83480%0.797SS**  trans-72.9141.7171.9-74.6-12.4000110.9
910E35.1Very low31.7Very low201 Ų201126.6 Ų126.694%0.93979%0.794SS**  -156.5161.4122.4-121.7173.9-14300112.6
911S31.3Very low31.8Very low112 Ų112129 Ų12978%0.78381%0.806SS**  trans-127.3143.8-161.558.90000113
912S35.5Very low31.5Very low132 Ų132130.6 Ų130.692%0.92381%0.805SS**  trans-156.1159.2150.751.20000112.9
913S30.2Very low31.8Very low111 Ų111128 Ų12878%0.77681%0.806SS**  trans-110.4136.6-162.855.80000114.3
914S34.4Very low31.8Very low112 Ų112131.6 Ų131.678%0.78381%0.805SS**  trans-178.2118.9144.521.20000107.7
915S29.8Very low31.9Very low106 Ų106133 Ų13374%0.74180%0.804SS**  86131.354.174.50000114.6
916S28.9Very low32Very low106 Ų106131.2 Ų131.274%0.74180%0.803SS**  trans71.6113.9159.361.20000121.8
917S28.5Very low32Very low112 Ų112131 Ų13178%0.78380%0.803SS**  74.4129.9127.7610000122.8
918S35.5Very low31.9Very low111 Ų111129.9 Ų129.978%0.77680%0.801SS**  trans-56.9169.9155-310000112.7
919P34.4Very low32Very low116 Ų116132.1 Ų132.175%0.75380%0.804SS**  -147.2162.7105.139.4-25.7000115.9
920S31Very low32.2Very low117 Ų117131.4 Ų131.482%0.81880%0.8SS**  trans-74.4153.7159.5-48.80000110.8
921L33.3Very low32.3Very low162 Ų162130.3 Ų130.385%0.84880%0.799SS**  trans-133.2131.4166.8-73.5176.2000112.7
922K28.6Very low32.3Very low206 Ų206131.3 Ų131.390%0.89680%0.796SS**  trans-124.8140.6154.2-84.2-172.6173.9-170.60106.6
923S35.6Very low32.4Very low113 Ų113134.6 Ų134.679%0.7980%0.797SS**  trans-165.3142.915952.10000110
924D31.8Very low32.7Very low155 Ų155137.4 Ų137.483%0.82980%0.797SS**  trans-91.6-170.7-169.9-51.9-90.6000114.2
925S33.1Very low32.6Very low107 Ų107140 Ų14075%0.74880%0.802SS**  trans97.291.7146.776.40000122.7
926S29.7Very low32.8Very low103 Ų103138.4 Ų138.472%0.7280%0.802SS**  83.3152.7113.172.80000123.3
927I32.1Very low32.7Very low145 Ų145141.2 Ų141.274%0.74480%0.804SS**  trans9298.1162.2-60.7175.6000118.3
928E27.6Very low33.2Very low167 Ų167142 Ų14278%0.7881%0.807SS**  trans31.9128.6130.9-57.3170.4159.300121.5
929S36.6Very low33Very low124 Ų124142.3 Ų142.387%0.86780%0.799SS**  -157.5128.3126.4-48.90000110.1
930D32.6Very low32.7Very low142 Ų142144 Ų14476%0.75980%0.802SS**  trans-82.6150.6177.9-40.5-79.9000112.9
931L37.4Very low32.8Very low177 Ų177144.5 Ų144.593%0.92781%0.805SS**  trans-153.1100.5150.1-81.4-170.3000110.8
932D31.9Very low32.6Very low133 Ų133142.3 Ų142.371%0.71180%0.803SS**  trans-64.3156.5165.8-68.1-61.5000112.4
933H38.3Very low32.7Very low202 Ų202140.9 Ų140.994%0.93581%0.805SS**  trans-146.2146.1142.1-106.556.9000110.3
934H35Very low32.3Very low170 Ų170140.2 Ų140.279%0.78780%0.8SS**  trans-98.5179.7-165.6-89.3-59.6000115.1
935D34Very low32.1Very low165 Ų165138.5 Ų138.588%0.88280%0.8SS**  trans99.8126.5161.4-58.2-21.5000116.9
936G32.3Very low31.9Very low73 Ų73138.6 Ų138.675%0.75380%0.801SS**  cis174.2139.2-8.500000113.6
937Q28.3Very low31.7Very low166 Ų166138.5 Ų138.578%0.77680%0.801SS**  trans-90.1153.6171.8-80.8-169.4-29.900112.5N939Q937-N939 PolarHBondContact OE1-ND2 3Å
938P38.9Very low31.7Very low129 Ų129140 Ų14084%0.83881%0.806SS**  trans-107.9129.8147.134.1-25.6000111.4
939N29.7Very low31.7Very low116 Ų116140.1 Ų140.162%0.6281%0.807SS**  trans-95.6157.8178.9-92.1-56.8000113Q937Q937-N939 PolarHBondContact OE1-ND2 3Å
940N29.3Very low31.6Very low153 Ų153142.8 Ų142.882%0.81881%0.805SS**  trans48.5122.9149.7-64.6-28.9000120.3
941S33.3Very low31.3Very low126 Ų126140.8 Ų140.888%0.88180%0.803SS**  trans-138.9124.4134.364.10000110.5
942S27.7Very low30.9Very low116 Ų116139.1 Ų139.181%0.81180%0.8SS**  trans-87.815117250.50000110.1
943L31.6Very low30.7Very low176 Ų176141.7 Ų141.792%0.92181%0.805SS**  trans-151.3146.7158.3-110.8169.2000109.8
944S26.5Very low30.4Very low100 Ų100140.7 Ų140.770%0.69980%0.8SS**  trans-132.8176.5-174.362.80000110.5
945S27.5Very low30.1Very low118 Ų118140.7 Ų140.783%0.82580%0.801SS**  trans72.9157.5-178.190.60000114.3
946S30.7Very low29.7Very low110 Ų110138.6 Ų138.677%0.76979%0.794SS**  cis-144.5162.84.849.30000112.2
947S25Very low29.5Very low101 Ų101142.9 Ų142.971%0.70680%0.798SS**  trans-65147.1173.350.60000113.9
948M31.3Very low29.4Very low175 Ų175142.7 Ų142.786%0.86280%0.801SS**  trans-129.8125.5135.6-84.9-166.76700110.1
949E27.2Very low29Very low171 Ų171140.2 Ų140.280%0.79979%0.786SS**  trans-79.3149.9170.8-54.5173.311900109.7
950H34.4Very low29Very low180 Ų180140.6 Ų140.683%0.83379%0.793SS**  trans-141.3114.2145.2-108.4-74.9000110.3
951S26.6Very low29.1Very low100 Ų100139.7 Ų139.770%0.69978%0.784SS**  trans-92.9125.4179.6-174.70000110.8
952T30.6Very low29.1Very low141 Ų141141.3 Ų141.387%0.86578%0.783SS**  trans-128.3121.8160.343.70000109.1
953K27.7Very low29.5Very low187 Ų187139.7 Ų139.781%0.81377%0.771SS**  trans-90.1133179.3-58.4172.1-178.41760110.5
954Q30.1Very low29.5Very low181 Ų181137.6 Ų137.685%0.84676%0.755SS**  trans-165.7105.7147.3-103.9150.90.800105.6
955E29.3Very low29.8Very low171 Ų171138 Ų13880%0.79975%0.748SS**  68.99078.8-69.9-168.7150.700113.4
956T25.5Very low30Very low121 Ų121135.2 Ų135.274%0.74273%0.733SS**  trans30.6109.8137.750.60000119.2
957I29.2Very low30Very low163 Ų163133.6 Ų133.684%0.83672%0.72SS**  -130.2143.9128.2-90.4148000107.5
958I26.4Very low30.4Very low162 Ų162134.3 Ų134.383%0.83172%0.716SS**  trans-119109-178.7-61.2169.5000108.1
959S28.6Very low30.5Very low77 Ų77130.2 Ų130.254%0.53869%0.693SS.*  trans-165.1113.7170.353.20000114.3
960T30.2Very low30.8Very low123 Ų123127.5 Ų127.576%0.75568%0.684SS**  trans47.573.2136.661.40000120.2
961E32.1Very low30.7Very low134 Ų134126 Ų12663%0.62668%0.678SS**  trans-125.9-23.2163.8-63.7-150.9115.300115.9S963 K964E961-S963 PolarHBondContact O-N 2.65Å; E961-K964 PolarHBondContact O-N 3.12Å; E961-K964 VanDerWaalsContact O-N 3.14Å
962N32.3Very low31Very low161 Ų161126.4 Ų126.486%0.86168%0.68SS**THydrogen-bonded Turntrans-68.65179.7-76.50.7000115.4
963S35.8Very low31.2Very low82 Ų82125.8 Ų125.857%0.57367%0.671SS**THydrogen-bonded Turntrans-92.6-17171.348.60000113.9E961E961-S963 PolarHBondContact O-N 2.65Å
964K32.1Very low31.3Very low132 Ų132121.3 Ų121.357%0.57466%0.663SS**THydrogen-bonded Turntrans-83.1-20.8-175.9-69.7179.7179.8170.80114.7E961 A966 C967E961-K964 PolarHBondContact O-N 3.12Å; E961-K964 VanDerWaalsContact O-N 3.14Å; K964-A966 VanDerWaalsContact C-N 3.33Å; K964-A966 PolarHBondContact O-N 2.74Å; K964-C967 PolarHBondContact O-N 2.75Å
965L32.9Very low31.5Very low107 Ų107117.1 Ų117.156%0.5665%0.646SS**THydrogen-bonded Turntrans-81.7-6.1-176.1-71.5170.9000114.5L522L522-L965 HydrophobicContact CD1-CD1 4.2Å
966A32.4Very low31.6Very low60 Ų60116.2 Ų116.250%0.49664%0.641SS.*THydrogen-bonded Turntrans-79.7-42.6165.900000111.2K964 L968 F969K964-A966 VanDerWaalsContact C-N 3.33Å; K964-A966 PolarHBondContact O-N 2.74Å; A966-L968 PolarHBondContact O-N 3.43Å; A966-F969 PolarHBondContact O-N 2.82Å; A966-F969 VanDerWaalsContact O-N 3.09Å
967C30.9Very low31.9Very low76 Ų76115 Ų11551%0.51464%0.638SS.*THydrogen-bonded Turntrans-62.7-7.5-173.3-51.50000115.6K964K964-C967 PolarHBondContact O-N 2.75Å
968L32Very low31.9Very low117 Ų117114.9 Ų114.961%0.61363%0.634SS**THydrogen-bonded Turntrans-96.87177.8-66.4173.6000113.6A966A966-L968 PolarHBondContact O-N 3.43Å
969F34.7Very low32.2Very low88 Ų88113.8 Ų113.839%0.38663%0.628SS.*THydrogen-bonded Turntrans-131.7-4.6170-80.5-76.6000114.7H515 A966 E971H515-F969 AromaticContact CE1-CE2 3.65Å; H515-F969 AromaticContact CE1-CZ 3.52Å; H515-F969 AromaticContact ND1-CE2 3.98Å; H515-F969 AromaticContact ND1-CZ 3.65Å; A966-F969 PolarHBondContact O-N 2.82Å; A966-F969 VanDerWaalsContact O-N 3.09Å; F969-E971 VanDerWaalsContact C-N 3.3Å; F969-E971 PolarHBondContact O-N 3.19Å
970D32.5Very low32.1Very low114 Ų114116.5 Ų116.561%0.6165%0.646SS**  trans-88.757.6173.2-71.4-42.2000111.8S972D970-S972 PolarHBondContact O-N 2.79Å
971E33.6Very low32.1Very low149 Ų149119.7 Ų119.770%0.69665%0.652SS**  trans-74.483.5158.3-76.1-178.2139.100108.1K502 F969 L973K502-E971 IonicContact NZ-OE1 3.17Å; K502-E971 IonicContact NZ-OE2 2.7Å; K502-E971 PolarHBondContact NZ-OE2 2.79Å; F969-E971 VanDerWaalsContact C-N 3.3Å; F969-E971 PolarHBondContact O-N 3.19Å; E971-L973 VanDerWaalsContact C-N 3.32Å; E971-L973 PolarHBondContact O-N 3.09Å
972S31.8Very low32.1Very low108 Ų108121 Ų12176%0.75566%0.664SS**  trans-73.878.9-176.5620000112.1D970 C974D970-S972 PolarHBondContact O-N 2.79Å; S972-C974 PolarHBondContact O-N 3.5Å
973L35.5Very low32Very low129 Ų129123.7 Ų123.768%0.67567%0.667SS**  trans-65.997.3168.4-84.6172.4000110.2E971 D975E971-L973 VanDerWaalsContact C-N 3.32Å; E971-L973 PolarHBondContact O-N 3.09Å; L973-D975 PolarHBondContact O-N 2.83Å
974C29.2Very low31.8Very low93 Ų93124.8 Ų124.863%0.62868%0.675SS**  trans-91.879.8174.4-1550000108.3S972 H976S972-C974 PolarHBondContact O-N 3.5Å; C974-H976 PolarHBondContact O-N 2.88Å; C974-H976 PolarHBondContact SG-CD2 3.32Å
975D33.7Very low31.6Very low93 Ų93126.1 Ų126.150%0.49769%0.687SS.*  trans-69.865175-85.8-14.6000110.4R498 L973 S977R498-D975 IonicContact CZ-OD2 2.84Å; R498-D975 IonicContact NH1-OD2 2.98Å; R498-D975 PolarHBondContact NH1-OD2 3.35Å; R498-D975 IonicContact NH2-OD2 3.69Å; R498-D975 PolarHBondContact NH2-OD2 2.78Å; L973-D975 PolarHBondContact O-N 2.83Å; D975-S977 PolarHBondContact O-N 3.48Å
976H32.7Very low31.5Very low151 Ų151128.6 Ų128.670%0.69970%0.699SS**  trans-86.681.3174.2-90.3-36.1000111.1C974C974-H976 PolarHBondContact O-N 2.88Å; C974-H976 PolarHBondContact SG-CD2 3.32Å
977S30.8Very low31.5Very low96 Ų96131.9 Ų131.967%0.67171%0.708SS**  trans-89.7165153.854.50000110.7D975 I979D975-S977 PolarHBondContact O-N 3.48Å; S977-I979 PolarHBondContact O-N 2.92Å
978E30.6Very low31.4Very low161 Ų161133 Ų13375%0.75272%0.716SS**SBendtrans68.25.9178.3-58.2-174.7-164.600118.4K198K198-E978 IonicContact NZ-OE1 3.22Å
979I31.2Very low31.6Very low139 Ų139133.4 Ų133.471%0.71372%0.718SS**  trans-130.468.9164.8-43.3-179.4000113.2S977S977-I979 PolarHBondContact O-N 2.92Å
980C28Very low31.8Very low134 Ų134136.8 Ų136.891%0.90574%0.74SS**  trans-146.440.9168.3-1010000114.4
981Q29.9Very low32Very low190 Ų190136.9 Ų136.989%0.88875%0.748SS**SBendtrans-112.155.3168.5-70.3-166.7100112.7
982N32.6Very low32Very low162 Ų162138.2 Ų138.287%0.86675%0.751SS**SBendtrans-170.5140.6148.9-104-53.1000111.6S984N982-S984 PolarHBondContact O-N 3Å
983K28.5Very low32.2Very low217 Ų217137.7 Ų137.794%0.94375%0.748SS**  trans-88.798.2-176.1-66.9-179178.9-179.50111.8
984S33Very low31.9Very low104 Ų104139.5 Ų139.573%0.72776%0.758SS**  trans-151.2129.516258.20000112.4N982N982-S984 PolarHBondContact O-N 3Å
985I27.4Very low32.1Very low160 Ų160140.2 Ų140.282%0.82176%0.764SS**  trans-88.3130.4-172.4-60.5166000110.6
986I31.5Very low31.8Very low160 Ų160143.6 Ų143.682%0.82178%0.781SS**  trans-136.9126.4162.8-58-178.4000108.3
987N30.8Very low31.5Very low129 Ų129144.4 Ų144.469%0.6979%0.79SS**  trans-74.2149.3-178.6-72.70.7000112.7
988C29.3Very low31.4Very low100 Ų100146.5 Ų146.568%0.67679%0.793SS**  trans-117.9116.2164.4-173.60000109.5L990C988-L990 VanDerWaalsContact C-N 3.32Å; C988-L990 PolarHBondContact O-N 3.5Å
989D35.8Very low31.2Very low124 Ų124144.2 Ų144.266%0.66379%0.794SS**  trans-85.613-168.7-91.6-56.2000115.3K992D989-K992 IonicContact OD1-NZ 3.79Å
990L39.2Very low31.1Very low160 Ų160144.2 Ų144.284%0.83880%0.795SS**  trans-86.3-12-160.4-81.3169.3000117.5C988C988-L990 VanDerWaalsContact C-N 3.32Å; C988-L990 PolarHBondContact O-N 3.5Å
991C36Very low31.2Very low115 Ų115142.2 Ų142.278%0.77778%0.783SS**  trans-125.3110-175.347.40000113.4
992K34.6Very low31.4Very low178 Ų178140.1 Ų140.177%0.77478%0.777SS**  trans-142.773.5175.8-71.5-175-178.9162.90112.7D989D989-K992 IonicContact OD1-NZ 3.79Å
993S35.6Very low31.2Very low97 Ų97142 Ų14268%0.67878%0.778SS**  trans-160.1119.6167.8530000111.8
994N30.3Very low31.2Very low166 Ų166138.2 Ų138.289%0.88877%0.767SS**  trans-88132.9179.1-65.24.4000111.9
995S33Very low30.9Very low109 Ų109141.2 Ų141.276%0.76277%0.774SS**  trans-152124.7148.754.50000108.5
996L27.7Very low31.2Very low164 Ų164140.9 Ų140.986%0.85977%0.77SS**  trans-69.6134.1-174.2-74.671.1000111.6
997L26.2Very low31.1Very low167 Ų167142.4 Ų142.487%0.87477%0.771SS**  -152.2154.7128.5-103.8166.1000107.7
998L27.3Very low31Very low140 Ų140141.5 Ų141.573%0.73378%0.775SS**  trans-76.1130.3-161.4-76.271.7000112.4
999C26.9Very low31.3Very low114 Ų114142.1 Ų142.177%0.7778%0.778SS**  trans-101100.7156.8-173.20000107.3
1000N29.6Very low30.9Very low138 Ų138141 Ų14174%0.73879%0.785SS**  trans-91.3123.7167.6-80.923.8000108.6
1001S31Very low30.4Very low93 Ų93138.7 Ų138.765%0.6578%0.778SS**  trans-69.3156.9168.3-49.60000111.3
1002D32.7Very low30.2Very low145 Ų145140.5 Ų140.578%0.77578%0.778SS**SBendtrans68147.3155.5-54.9-47.3000120.3
1003K29Very low29.8Very low202 Ų202138.8 Ų138.888%0.87878%0.777SS**  trans45.969.2165.5-62.9-179.2-178.8174.80117.8
1004L29.1Very low29.8Very low137 Ų137139.3 Ų139.372%0.71778%0.778SS**  trans-101.588.1157.3-73.3176.2000112M1006L1004-M1006 VanDerWaalsContact C-N 3.27Å; L1004-M1006 HydrophobicContact CB-CG 4.27Å; L1004-M1006 HydrophobicContact CB-SD 4.46Å; L1004-M1006 HydrophobicContact CD1-CE 4.29Å; L1004-M1006 HydrophobicContact CD1-SD 4Å; L1004-M1006 HydrophobicContact CD2-CE 4.12Å; L1004-M1006 HydrophobicContact CD2-CG 4.31Å; L1004-M1006 HydrophobicContact CD2-SD 4.37Å; L1004-M1006 PolarHBondContact O-N 3.29Å; L1004-M1006 VanDerWaalsContact O-N 3.07Å
1005I26.2Very low29.7Very low168 Ų168141.2 Ų141.286%0.86277%0.774SS**  trans-70.290.3154-59.6173.4000106
1006M32.9Very low29.5Very low153 Ų153143 Ų14375%0.75478%0.781SS**PPolyproline II helixtrans-100.8122.9-172.2-112-177.3171.900113.3L1004L1004-M1006 VanDerWaalsContact C-N 3.27Å; L1004-M1006 HydrophobicContact CB-CG 4.27Å; L1004-M1006 HydrophobicContact CB-SD 4.46Å; L1004-M1006 HydrophobicContact CD1-CE 4.29Å; L1004-M1006 HydrophobicContact CD1-SD 4Å; L1004-M1006 HydrophobicContact CD2-CE 4.12Å; L1004-M1006 HydrophobicContact CD2-CG 4.31Å; L1004-M1006 HydrophobicContact CD2-SD 4.37Å; L1004-M1006 PolarHBondContact O-N 3.29Å; L1004-M1006 VanDerWaalsContact O-N 3.07Å
1007K30.2Very low29.6Very low192 Ų192139.6 Ų139.684%0.83577%0.767SS**PPolyproline II helixtrans-69.9161.1-175.5-59.6179.5178.1-175.40112.1
1008S27.7Very low29.6Very low110 Ų110139.2 Ų139.277%0.76976%0.761SS**PPolyproline II helixtrans-57.2136.8177-175.10000112.6A1010S1008-A1010 PolarHBondContact O-N 2.93Å; S1008-A1010 VanDerWaalsContact O-N 3.12Å
1009P35.5Very low29.7Very low113 Ų113138.4 Ų138.473%0.73476%0.755SS**  trans-7990.5174.632.3-33.8000111.3V1011P1009-V1011 PolarHBondContact O-N 3.47Å
1010A28.3Very low29.7Very low99 Ų99140.9 Ų140.982%0.81875%0.753SS**  trans-70.995.2173.500000111.5S1008S1008-A1010 PolarHBondContact O-N 2.93Å; S1008-A1010 VanDerWaalsContact O-N 3.12Å
1011V29.2Very low29.9Very low113 Ų113140.6 Ų140.669%0.68575%0.752SS**  trans-136.1101-178.8-174.20000113P1009P1009-V1011 PolarHBondContact O-N 3.47Å
1012I31.3Very low29.9Very low153 Ų153145.2 Ų145.279%0.78576%0.763SS**  trans62.9105148.4-54.5171.8000118
1013N26Very low30Very low142 Ų142142 Ų14276%0.75976%0.764SS**  trans-84.3131.3162.9170.6-0.5000111.3Y1015N1013-Y1015 PolarHBondContact OD1-N 3.35Å; N1013-Y1015 VanDerWaalsContact OD1-N 3.13Å
1014P36.3Very low30.2Very low108 Ų108137.1 Ų137.170%0.70175%0.747SS**  trans-115.995.3162.135.7-22.7000113
1015Y28.2Very low30.4Very low205 Ų205139.7 Ų139.780%0.80476%0.756SS**  trans35.7101.1153.2-77.2-95.4000119.1N1013N1013-Y1015 PolarHBondContact OD1-N 3.35Å; N1013-Y1015 VanDerWaalsContact OD1-N 3.13Å
1016V29Very low30.7Very low148 Ų148136.5 Ų136.590%0.89774%0.74SS**  trans-126.8124.5132.3-178.60000107.6
1017T29.9Very low30.7Very low91 Ų91138.9 Ų138.956%0.55875%0.747SS**  trans-75.9143.5179.544.60000111.7I1019T1017-I1019 PolarHBondContact O-N 3.3Å
1018E24.7Very low30.9Very low160 Ų160136.6 Ų136.675%0.74874%0.744SS**  trans-53.8126.9160.6-66.6-164.8158.500109.7K1020E1018-K1020 WeakPolarHBondContact OE2-CE 3.46Å; E1018-K1020 IonicContact OE2-NZ 3.43Å; E1018-K1020 PolarHBondContact OE2-NZ 3.43Å
1019I29.5Very low30.9Very low122 Ų122139.4 Ų139.463%0.62675%0.745SS**  trans-127.3117.7164.8-64.5-177.7000107.3T1017 D1021T1017-I1019 PolarHBondContact O-N 3.3Å; I1019-D1021 HydrophobicContact CG2-CB 4.26Å; I1019-D1021 WeakPolarHBondContact CG2-OD1 3.47Å; I1019-D1021 VanDerWaalsContact CG2-OD2 3.32Å; I1019-D1021 WeakPolarHBondContact CG2-OD2 3.32Å; I1019-D1021 PolarHBondContact O-N 3.1Å
1020K28.7Very low30.7Very low166 Ų166144.5 Ų144.572%0.72275%0.751SS**  trans-99.574.1179-69.4171.4-176.7152.40109.1E1018E1018-K1020 WeakPolarHBondContact OE2-CE 3.46Å; E1018-K1020 IonicContact OE2-NZ 3.43Å; E1018-K1020 PolarHBondContact OE2-NZ 3.43Å
1021D33.3Very low30.6Very low133 Ų133145.2 Ų145.271%0.71175%0.745SS**  trans-101.3121.9169.9-65.1-7.2000106.7I1019I1019-D1021 HydrophobicContact CG2-CB 4.26Å; I1019-D1021 WeakPolarHBondContact CG2-OD1 3.47Å; I1019-D1021 VanDerWaalsContact CG2-OD2 3.32Å; I1019-D1021 WeakPolarHBondContact CG2-OD2 3.32Å; I1019-D1021 PolarHBondContact O-N 3.1Å
1022E30.9Very low30.7Very low189 Ų189147.3 Ų147.388%0.88375%0.751SS**  cis52.19923.1-76.8-150.2-148.100114.4
1023G33.4Very low30.6Very low77 Ų77146.5 Ų146.579%0.79475%0.754SS**  trans120.9107.1170.300000113.9
1024D33.4Very low30.9Very low100 Ų100143.3 Ų143.354%0.53575%0.754SS.*  trans-75.3135.2157.3-73-86.3000110.2R30R30-D1024 IonicContact CZ-OD1 2.65Å; R30-D1024 IonicContact CZ-OD2 3.15Å; R30-D1024 VanDerWaalsContact CZ-OD2 3.25Å; R30-D1024 IonicContact NH1-OD1 3.97Å; R30-D1024 IonicContact NH1-OD2 2.73Å; R30-D1024 PolarHBondContact NH1-OD2 2.98Å; R30-D1024 IonicContact NH2-OD1 2.63Å; R30-D1024 PolarHBondContact NH2-OD1 3.44Å; R30-D1024 IonicContact NH2-OD2 2.71Å; R30-D1024 PolarHBondContact NH2-OD2 3.02Å; R30-D1024 VanDerWaalsContact NH2-OD2 3.12Å
1025Q33.6Very low30.8Very low191 Ų191145.9 Ų145.989%0.89376%0.762SS**  trans-152.9121.7148.9-119.314893.500110.8
1026D32.9Very low31Very low101 Ų101142 Ų14254%0.5476%0.762SS.*  trans-69.9144.5164.6-67.9-65.9000110K63K63-D1026 WeakPolarHBondContact CE-OD1 3.46Å; K63-D1026 WeakPolarHBondContact CE-OD2 3.48Å; K63-D1026 IonicContact NZ-OD1 2.71Å; K63-D1026 PolarHBondContact NZ-OD1 3.36Å; K63-D1026 IonicContact NZ-OD2 3.78Å; K63-D1026 PolarHBondContact NZ-OD2 2.88Å
1027F33Very low31.2Very low203 Ų203142.9 Ų142.989%0.8976%0.76SS**  trans-150.3163136.6-113.1-74.7000111.6
1028N33.8Very low31.2Very low145 Ų145147.2 Ų147.278%0.77577%0.774SS**  trans-87.2156.1-161.1-65.4-43.9000115.1
1029E27.3Very low31.8Very low168 Ų168147.8 Ų147.879%0.78578%0.781SS**  trans-45.2133.6159.6176.3-177.3-169.300113.4
1030Y31.4Very low31.9Very low221 Ų221148.2 Ų148.287%0.86779%0.785SS**  trans-155.3120151.4-124.4-77.1000111.8
1031T26.5Very low32.4Very low113 Ų113148.2 Ų148.269%0.69379%0.793SS**  trans-92.2120.9-175.4-57.80000111.7
1032I31.6Very low32.6Very low157 Ų157148.7 Ų148.781%0.80580%0.795SS**  trans-137.7139.7165.5-61.8-175.5000109.8
1033T29.2Very low33Very low137 Ų137148.2 Ų148.284%0.8479%0.79SS**  trans-93.4150.7-179.1470000112.8
1034G32.8Very low33.2Very low75 Ų75152.4 Ų152.477%0.77379%0.789SS**  trans-172.1137.1174.700000112.8
1035N33.3Very low33.4Very low161 Ų161155.1 Ų155.186%0.86180%0.799SS**  trans-86.4156.2-176.3-76.7-22000112.8
1036P32.7Very low33.5Very low124 Ų124154.3 Ų154.381%0.80579%0.787SS**  trans-78.4166.2-175.433.2-37.6000114
1037I32.8Very low33.7Very low167 Ų167157.8 Ų157.886%0.85680%0.8SS**  trans-131134169.6-65.5178.1000108.3
1038E30.7Very low33.8Very low181 Ų181151 Ų15185%0.84679%0.788SS**  trans-76.1144.4176.9-54.3167.414400111.7
1039L36.7Very low33.9Very low172 Ų172149.3 Ų149.390%0.90178%0.783SS**  trans-151.4144.8150.8-97.3-179.3000109.9
1040N32.8Very low34.3Very low132 Ų132151.2 Ų151.271%0.70678%0.783SS**  trans-95.8170.2-178.7-41.8-69000111.2
1041D38Very low34.4Very low166 Ų166146.3 Ų146.389%0.88877%0.772SS**  -169.1150.1119.5-97.4-21.5000111.9
1042D38.7Very low34.7Very low143 Ų143146.6 Ų146.677%0.76577%0.773SS**  trans-105.1167.9-170.6-59.4-70.6000114.7
1043K38.4Very low34.8Very low179 Ų179147 Ų14778%0.77877%0.772SS**  trans125.3124.9150.3-71.2160.5-174.9168.80114.4
1044E38.6Very low35Very low164 Ų164149 Ų14977%0.76677%0.772SS**  83127.252.7-76-161.7123.600114.5
1045E36.3Very low35.1Very low158 Ų158155.1 Ų155.174%0.73878%0.777SS**  trans137.9146139.1-73.3-142.4130.300114.5
1046R37.1Very low35Very low174 Ų174155.1 Ų155.166%0.65778%0.777SS**  cis-175163.1-25.7-153.7-166.2-179.794.911.2111.4
1047E37Very low35.1Very low173 Ų173152.2 Ų152.281%0.80877%0.77SS**  trans73.4143.1158.6-43.2-158.7143.500120.8
1048G35.3Very low35.4Very low61 Ų61151.2 Ų151.263%0.62977%0.766SS**  cis159.1155.9-17.800000117.6
1049T35.6Very low35.8Very low110 Ų110149.4 Ų149.468%0.67576%0.763SS**  trans62.8147.3145.961.30000120.5
1050R34.8Very low36Very low208 Ų208149.5 Ų149.579%0.78576%0.759SS**  cis-162.9178.88.8-104.6160.5-153.8106.5-0.4106.9
1051N34.2Very low36.3Very low118 Ų118150.5 Ų150.563%0.63176%0.764SS**  cis-145.1-1796.4-117.232000106.4
1052T31.4Very low36.4Very low118 Ų118148.5 Ų148.572%0.72476%0.757SS**  cis100.6138.612.5-38.90000116.9
1053E34.9Very low36.2Very low166 Ų166148.6 Ų148.678%0.77676%0.758SS**  trans87.1105-176.2-59.6178.3-160.800115.3
1054Q33.4Very low36.3Very low180 Ų180146.1 Ų146.184%0.84176%0.757SS**  76.3110.562-77.8-165-24.900116.2
1055F34.7Very low36.3Very low203 Ų203144.6 Ų144.689%0.8976%0.755SS**  -169168.9120-122.5-96.7000111.6
1056N31.2Very low36.3Very low160 Ų160144.9 Ų144.986%0.85676%0.761SS**  trans-109.6164-176.4-61.3-7.1000112.8
1057G35.9Very low36.2Very low64 Ų64140.2 Ų140.266%0.6677%0.767SS**  trans131.9138.2169.300000111.8
1058D38Very low36.1Very low145 Ų145141.7 Ų141.778%0.77577%0.774SS**  cis164.9143.6-24.2-91.8-19.7000103.6
1059D39.1Very low36.3Very low144 Ų144148 Ų14877%0.7779%0.787SS**  trans73.1139.3157.3-57.4-27.3000124.6
1060E40.6Very low36.4Very low174 Ų174150.2 Ų150.281%0.81380%0.795SS**  trans72.495.6149-71176.8-152.600123.5
1061D39.9Very low36.5Very low153 Ų153148.8 Ų148.882%0.81880%0.797SS**  46.5153.3107.8-63.3-10.1000124.5
1062V40.2Very low36.6Very low124 Ų124150.6 Ų150.675%0.75281%0.806SS**  trans90.996.9157.5-162.80000119.8
1063N33.9Very low36.6Very low145 Ų145149.3 Ų149.378%0.77580%0.802SS**  trans27.5143.3130-46.1-2.2000122.3
1064V39.6Very low36.8Very low126 Ų126148 Ų14876%0.76480%0.8SS**  160.4127.7116.6159.30000112.4
1065D39.4Very low36.9Very low133 Ų133144.5 Ų144.571%0.71179%0.786SS**  trans32.5122.1153-53.34.3000123
1066D35.4Very low36.8Very low164 Ų164140.5 Ų140.588%0.87778%0.779SS**  50.3134.6119.1-56.31.5000123.2
1067G35.4Very low36.9Very low76 Ų76140.3 Ų140.378%0.78478%0.778SS**  trans179.791.5164.200000112.3
1068E34.8Very low36.9Very low204 Ų204146 Ų14695%0.95379%0.787SS**  trans-73.4134.4169.6-62.1-178.2124.800110.7
1069E39.6Very low36.9Very low192 Ų192147.3 Ų147.390%0.89779%0.789SS**  trans-137.2157.9165.7-76-163.7152.500111.2
1070D37.9Very low37.1Very low157 Ų157145.7 Ų145.784%0.8478%0.779SS**  trans-66.3148.8-172-50.5-89.9000115
1071E36.7Very low37Very low179 Ų179144.9 Ų144.984%0.83678%0.775SS**  -178.2125.6116.4-95.2-177.1165.400108.8
1072L36.8Very low36.9Very low156 Ų156139.9 Ų139.982%0.81776%0.76SS**  94.2142.665.6-153.278.9000112.5
1073S31.6Very low37.1Very low90 Ų90141.2 Ų141.263%0.62976%0.758SS**  trans-64.7149.4-172.250.80000115.6
1074D38.3Very low37.6Very low139 Ų139140.7 Ų140.774%0.74375%0.751SS**  -170.1159.9110.4-105.8-29.1000117.1
1075L36.1Very low38Very low106 Ų106141.5 Ų141.556%0.55575%0.746SS**  trans37.7111.9152.2-54.3167.4000119.4
1076T32.7Very low38.5Very low120 Ų120142 Ų14274%0.73675%0.745SS**  65.771.158.377.30000118.1
1077N32.7Very low39.5Very low156 Ų156140 Ų14083%0.83473%0.73SS**  trans-179.877.6139.2-98.2-10.8000114
1078E36.3Very low40.5Very low183 Ų183142 Ų14286%0.85572%0.719SS**  trans-136.34170.3-69-171.9152.500114.2I1080E1078-I1080 PolarHBondContact O-N 3.33Å
1079Q37.9Very low41.7Very low173 Ų173136.1 Ų136.181%0.80870%0.697SS**THydrogen-bonded Turntrans-9340-177.6-66.9-167.9-35.600114.1
1080I42.2Very low42.8Very low109 Ų109133.5 Ų133.556%0.55968%0.683SS**THydrogen-bonded Turntrans-134.6-48.4177.3-61.7-177.2000111.2E1078 G1082 E1083 E1084E1078-I1080 PolarHBondContact O-N 3.33Å; I1080-G1082 VanDerWaalsContact C-N 3.26Å; I1080-G1082 PolarHBondContact O-N 2.93Å; I1080-E1083 PolarHBondContact O-N 3.38Å; I1080-E1084 PolarHBondContact O-N 2.9Å
1081E38.9Very low43.9Very low157 Ų157128.3 Ų128.373%0.73466%0.661SS**Hα-helixtrans-65.1-29.7-177.4-62.9179.6169.800112.5E1083 E1084 E1085E1081-E1083 VanDerWaalsContact C-N 3.34Å; E1081-E1083 PolarHBondContact O-N 3.42Å; E1081-E1084 PolarHBondContact O-N 3.34Å; E1081-E1084 VanDerWaalsContact O-N 3.16Å; E1081-E1085 PolarHBondContact O-N 2.89Å
1082G39Very low44.9Very low49 Ų49124.3 Ų124.351%0.50564%0.642SS.*Hα-helixtrans-69.9-20.4172.600000115.5I1080 E1086I1080-G1082 VanDerWaalsContact C-N 3.26Å; I1080-G1082 PolarHBondContact O-N 2.93Å; G1082-E1086 PolarHBondContact O-N 3.12Å
1083E43Very low45.7Very low151 Ų151121.8 Ų121.871%0.70663%0.629SS**Hα-helixtrans-81.1-28.4169.1-69-170.4167.900110.8I1080 E1081 E1087I1080-E1083 PolarHBondContact O-N 3.38Å; E1081-E1083 VanDerWaalsContact C-N 3.34Å; E1081-E1083 PolarHBondContact O-N 3.42Å; E1083-E1087 PolarHBondContact O-N 2.96Å
1084E45.2Very low46.7Very low134 Ų134120.8 Ų120.863%0.62662%0.622SS**Hα-helixtrans-79.9-38.2177-65.1-169.4167.600112.5I1080 E1081 E1086 E1087 E1088I1080-E1084 PolarHBondContact O-N 2.9Å; E1081-E1084 PolarHBondContact O-N 3.34Å; E1081-E1084 VanDerWaalsContact O-N 3.16Å; E1084-E1086 VanDerWaalsContact C-N 3.29Å; E1084-E1086 PolarHBondContact O-N 3.14Å; E1084-E1087 PolarHBondContact O-N 3.4Å; E1084-E1088 WeakPolarHBondContact O-CB 3.34Å; E1084-E1088 PolarHBondContact O-N 2.93Å
1085E47.9Very low47.3Very low143 Ų143120.7 Ų120.767%0.66862%0.622SS**Hα-helixtrans-62.1-35.5167.9-77.2-162.2150.100111.7E1081 E1088 V1089E1081-E1085 PolarHBondContact O-N 2.89Å; E1085-E1088 PolarHBondContact O-N 3.43Å; E1085-V1089 WeakPolarHBondContact O-CB 3.45Å; E1085-V1089 VanDerWaalsContact O-CG2 3.3Å; E1085-V1089 WeakPolarHBondContact O-CG2 3.29Å; E1085-V1089 PolarHBondContact O-N 3.29Å
1086E49.8Very low47.6Very low144 Ų144123.9 Ų123.967%0.67363%0.631SS**Hα-helixtrans-75.4-33.3177.2-153.1-177.3-131.700112.5G1082 E1084 K1090G1082-E1086 PolarHBondContact O-N 3.12Å; E1084-E1086 VanDerWaalsContact C-N 3.29Å; E1084-E1086 PolarHBondContact O-N 3.14Å; E1086-K1090 WeakPolarHBondContact O-CB 3.41Å; E1086-K1090 PolarHBondContact O-N 3.44Å
1087E55.9Low47.7Very low122 Ų122123.8 Ų123.857%0.5763%0.626SS**Hα-helixtrans-69.7-35.1166.6-85.3-154.9156.200112.4E1083 E1084 K1090 A1091E1083-E1087 PolarHBondContact O-N 2.96Å; E1084-E1087 PolarHBondContact O-N 3.4Å; E1087-K1090 PolarHBondContact O-N 2.65Å; E1087-A1091 WeakPolarHBondContact O-CB 3.39Å; E1087-A1091 PolarHBondContact O-N 2.9Å
1088E58.2Low47.7Very low117 Ų117118.8 Ų118.855%0.54760%0.602SS.*Hα-helixtrans-70.9-47.2177.7-166.9-179162.800112.1E1084 E1085 K1090 A1091 Q1092E1084-E1088 WeakPolarHBondContact O-CB 3.34Å; E1084-E1088 PolarHBondContact O-N 2.93Å; E1085-E1088 PolarHBondContact O-N 3.43Å; E1088-K1090 PolarHBondContact O-N 3.3Å; E1088-A1091 WeakPolarHBondContact O-CB 3.36Å; E1088-A1091 PolarHBondContact O-N 2.86Å; E1088-A1091 VanDerWaalsContact O-N 3.09Å; E1088-Q1092 HydrophobicContact CG-CG 4.4Å; E1088-Q1092 WeakPolarHBondContact O-CB 3.46Å; E1088-Q1092 WeakPolarHBondContact O-CG 3.35Å; E1088-Q1092 PolarHBondContact O-N 3.01Å; E1088-Q1092 PolarHBondContact OE1-NE2 3.5Å
1089V59.3Low47.7Very low81 Ų81115.2 Ų115.249%0.49160%0.595SS.*Hα-helixtrans-59.4-33.6174.2168.30000111E1085 L1093E1085-V1089 WeakPolarHBondContact O-CB 3.45Å; E1085-V1089 VanDerWaalsContact O-CG2 3.3Å; E1085-V1089 WeakPolarHBondContact O-CG2 3.29Å; E1085-V1089 PolarHBondContact O-N 3.29Å; V1089-L1093 HydrophobicContact CG1-CD1 4.09Å; V1089-L1093 VanDerWaalsContact O-CB 3.28Å; V1089-L1093 WeakPolarHBondContact O-CB 3.42Å; V1089-L1093 VanDerWaalsContact O-CG 3.27Å; V1089-L1093 WeakPolarHBondContact O-CG 3.38Å; V1089-L1093 PolarHBondContact O-N 2.99Å
1090K62.3Low47.6Very low138 Ų138112.9 Ų112.960%0.659%0.594SS**Hα-helixtrans-77-30.2176.6-172.1177.1-173.2176.10113.3E1086 E1087 E1088 S1094E1086-K1090 WeakPolarHBondContact O-CB 3.41Å; E1086-K1090 PolarHBondContact O-N 3.44Å; E1087-K1090 PolarHBondContact O-N 2.65Å; E1088-K1090 PolarHBondContact O-N 3.3Å; K1090-S1094 WeakPolarHBondContact O-CB 3.37Å; K1090-S1094 PolarHBondContact O-N 2.89Å
1091A61.2Low47.3Very low47 Ų47113.4 Ų113.439%0.38860%0.603SS.*Hα-helixtrans-69.2-49.8169.800000110.7E1087 E1088 L1093 S1094 D1095E1087-A1091 WeakPolarHBondContact O-CB 3.39Å; E1087-A1091 PolarHBondContact O-N 2.9Å; E1088-A1091 WeakPolarHBondContact O-CB 3.36Å; E1088-A1091 PolarHBondContact O-N 2.86Å; E1088-A1091 VanDerWaalsContact O-N 3.09Å; A1091-L1093 VanDerWaalsContact C-N 3.3Å; A1091-L1093 PolarHBondContact O-N 3.09Å; A1091-S1094 WeakPolarHBondContact O-CA 3.08Å; A1091-S1094 WeakPolarHBondContact O-CB 3.42Å; A1091-S1094 PolarHBondContact O-N 3.21Å; A1091-S1094 PolarHBondContact O-OG 2.99Å; A1091-D1095 PolarHBondContact O-N 3.48Å; A1091-D1095 VanDerWaalsContact O-N 3.15Å
1092Q57Low46.9Very low95 Ų95111.4 Ų111.444%0.44460%0.602SS.*Hα-helixtrans-57.6-41.7173.8-66.7178.217.200111.3E1088 S1094 D1095 F1096E1088-Q1092 HydrophobicContact CG-CG 4.4Å; E1088-Q1092 WeakPolarHBondContact O-CB 3.46Å; E1088-Q1092 WeakPolarHBondContact O-CG 3.35Å; E1088-Q1092 PolarHBondContact O-N 3.01Å; E1088-Q1092 PolarHBondContact OE1-NE2 3.5Å; Q1092-S1094 VanDerWaalsContact C-N 3.31Å; Q1092-S1094 PolarHBondContact O-N 3.22Å; Q1092-D1095 PolarHBondContact O-N 3.1Å; Q1092-F1096 WeakPolarHBondContact O-CD2 3.44Å
1093L54.4Low46.6Very low104 Ų104114 Ų11455%0.54560%0.604SS.*Hα-helixtrans-64.3-32.1171.3-82166.7000113.2V1089 A1091 D1095 F1096 L1097V1089-L1093 HydrophobicContact CG1-CD1 4.09Å; V1089-L1093 VanDerWaalsContact O-CB 3.28Å; V1089-L1093 WeakPolarHBondContact O-CB 3.42Å; V1089-L1093 VanDerWaalsContact O-CG 3.27Å; V1089-L1093 WeakPolarHBondContact O-CG 3.38Å; V1089-L1093 PolarHBondContact O-N 2.99Å; A1091-L1093 VanDerWaalsContact C-N 3.3Å; A1091-L1093 PolarHBondContact O-N 3.09Å; L1093-D1095 VanDerWaalsContact C-N 3.3Å; L1093-D1095 PolarHBondContact O-N 2.93Å; L1093-F1096 PolarHBondContact O-N 3.48Å; L1093-L1097 WeakPolarHBondContact O-CG 3.38Å; L1093-L1097 PolarHBondContact O-N 3.37Å
1094S53.2Low46.4Very low69 Ų69110.6 Ų110.648%0.48359%0.592SS.*Hα-helixtrans-69.3-27.1177.378.20000113.2K1090 A1091 Q1092 F1096K1090-S1094 WeakPolarHBondContact O-CB 3.37Å; K1090-S1094 PolarHBondContact O-N 2.89Å; A1091-S1094 WeakPolarHBondContact O-CA 3.08Å; A1091-S1094 WeakPolarHBondContact O-CB 3.42Å; A1091-S1094 PolarHBondContact O-N 3.21Å; A1091-S1094 PolarHBondContact O-OG 2.99Å; Q1092-S1094 VanDerWaalsContact C-N 3.31Å; Q1092-S1094 PolarHBondContact O-N 3.22Å; S1094-F1096 VanDerWaalsContact C-N 3.31Å
1095D50.2Low45.9Very low137 Ų137109.4 Ų109.473%0.73359%0.59SS**Hα-helixtrans-74.6-19.5171.6-66.2-38.1000113A1091 Q1092 L1093A1091-D1095 PolarHBondContact O-N 3.48Å; A1091-D1095 VanDerWaalsContact O-N 3.15Å; Q1092-D1095 PolarHBondContact O-N 3.1Å; L1093-D1095 VanDerWaalsContact C-N 3.3Å; L1093-D1095 PolarHBondContact O-N 2.93Å
1096F41.7Very low45.3Very low172 Ų172103.5 Ų103.575%0.75457%0.565SS**Hα-helixtrans-98.9-12.8176.1-68.6-62.3000114.6Q1092 L1093 S1094Q1092-F1096 WeakPolarHBondContact O-CD2 3.44Å; L1093-F1096 PolarHBondContact O-N 3.48Å; S1094-F1096 VanDerWaalsContact C-N 3.31Å
1097L35.8Very low44.9Very low118 Ų118102 Ų10262%0.61856%0.562SS**SBendtrans-74.2138.7168.8-73.2171.9000109.5L1093L1093-L1097 WeakPolarHBondContact O-CG 3.38Å; L1093-L1097 PolarHBondContact O-N 3.37Å
1098P32.8Very low44.4Very low51 Ų5199.5 Ų99.533%0.33155%0.553SS.*PPolyproline II helixtrans-57.1137.6164.822.7-29.8000109.1
1099P35.8Very low44Very low109 Ų10995.5 Ų95.571%0.70854%0.537SS*.PPolyproline II helixtrans-55.2137.2169.925.2-33.7000108T1101P1099-T1101 PolarHBondContact O-N 3.12Å
1100P35.5Very low43.5Very low123 Ų12392.5 Ų92.580%0.79952%0.518SS*.  trans-51.5109.7-171.7-28.834.7000110.8T1102P1100-T1102 PolarHBondContact O-N 3.41Å
1101T36.1Very low42.8Very low120 Ų12093.1 Ų93.174%0.73653%0.525SS*.  trans-59.9104.2-168.5-51.60000109.2P1099 L1103P1099-T1101 PolarHBondContact O-N 3.12Å; T1101-L1103 PolarHBondContact O-N 3.02Å
1102T31.6Very low42.6Very low116 Ų11699.2 Ų99.271%0.71255%0.545SS*.  trans-60.4103.4178.5-39.50000107.2P1100 V1104P1100-T1102 PolarHBondContact O-N 3.41Å; T1102-V1104 HydrophobicContact CG2-CG2 4.28Å; T1102-V1104 PolarHBondContact O-N 3.15Å
1103L32.4Very low42.6Very low104 Ų10497.8 Ų97.855%0.54554%0.54SS..  trans-67.886.9168.4-83.1168.6000106.6L127 T1101 L1105L127-L1103 HydrophobicContact CD2-CD2 4.04Å; T1101-L1103 PolarHBondContact O-N 3.02Å; L1103-L1105 PolarHBondContact O-N 3.23Å
1104V37.5Very low42.9Very low78 Ų7896.9 Ų96.947%0.47354%0.54SS..  trans-66.285.9168.7-179.10000106.3T1102 A1106T1102-V1104 HydrophobicContact CG2-CG2 4.28Å; T1102-V1104 PolarHBondContact O-N 3.15Å; V1104-A1106 PolarHBondContact O-N 3.46Å
1105L36.1Very low43Very low110 Ų11098.8 Ų98.858%0.57655%0.551SS**  trans-59.1109.2169.6-64.7177.9000106.5M89 L1103 D1107M89-L1105 HydrophobicContact CE-CD2 3.77Å; M89-L1105 HydrophobicContact SD-CD2 3.81Å; L1103-L1105 PolarHBondContact O-N 3.23Å; L1105-D1107 PolarHBondContact O-N 2.89Å
1106A34.7Very low43.6Very low18 Ų1898.8 Ų98.815%0.14955%0.551CS.*SBendtrans-79.174.8-169.900000110.8L92 V1104L92-A1106 HydrophobicContact CB-CB 3.7Å; L92-A1106 WeakPolarHBondContact CB-O 3.48Å; L92-A1106 WeakPolarHBondContact CD1-O 3.4Å; V1104-A1106 PolarHBondContact O-N 3.46Å
1107D40.4Very low44.7Very low114 Ų11492.2 Ų92.261%0.6153%0.528SS*.  trans-164.243.4159.4-96.9-31.1000108.5L1105 P1109L1105-D1107 PolarHBondContact O-N 2.89Å; D1107-P1109 VanDerWaalsContact O-CD 3.27Å; D1107-P1109 WeakPolarHBondContact O-CD 3.23Å
1108N47.2Very low45.9Very low69 Ų6988 Ų8837%0.36951%0.508SS..  trans-86.7110.6-169.8-173.7-2.5000112.8L1110 M1111N1108-L1110 PolarHBondContact O-N 3.33Å; N1108-L1110 WeakPolarHBondContact OD1-CB 3.33Å; N1108-L1110 WeakPolarHBondContact OD1-CD1 3.43Å; N1108-L1110 WeakPolarHBondContact OD1-CG 3.42Å; N1108-L1110 PolarHBondContact OD1-N 2.95Å; N1108-M1111 PolarHBondContact O-N 3.04Å
1109P49.9Very low47.4Very low32 Ų3287.4 Ų87.421%0.20851%0.511CS..G310 helixtrans-67.1-18.4-179.529.7-37.1000113.9D1107 M1111 H1112 M1121 L1453 M1457D1107-P1109 VanDerWaalsContact O-CD 3.27Å; D1107-P1109 WeakPolarHBondContact O-CD 3.23Å; P1109-M1111 PolarHBondContact O-N 3.27Å; P1109-H1112 PolarHBondContact O-N 2.93Å; P1109-M1121 HydrophobicContact CG-CE 4.43Å; P1109-L1453 HydrophobicContact CB-CD2 4.04Å; P1109-L1453 HydrophobicContact CG-CD1 4.4Å; P1109-L1453 HydrophobicContact CG-CD2 4.01Å; P1109-L1453 HydrophobicContact CG-CG 4.41Å; P1109-M1457 HydrophobicContact CG-SD 3.62Å
1110L48Very low48.9Very low18 Ų1889.2 Ų89.29%0.09451%0.507CS..G310 helixtrans-57.4-20.7176.5-71.8161.7000113.4N1108 H1112 L1113 T1118 M1121 L1122N1108-L1110 PolarHBondContact O-N 3.33Å; N1108-L1110 WeakPolarHBondContact OD1-CB 3.33Å; N1108-L1110 WeakPolarHBondContact OD1-CD1 3.43Å; N1108-L1110 WeakPolarHBondContact OD1-CG 3.42Å; N1108-L1110 PolarHBondContact OD1-N 2.95Å; L1110-H1112 VanDerWaalsContact C-N 3.29Å; L1110-H1112 PolarHBondContact O-N 3.41Å; L1110-L1113 HydrophobicContact CD2-CD1 4.3Å; L1110-T1118 HydrophobicContact CB-CG2 4.21Å; L1110-T1118 HydrophobicContact CD2-CG2 4.15Å; L1110-T1118 PolarHBondContact O-OG1 3.17Å; L1110-M1121 HydrophobicContact CD2-CB 3.89Å; L1110-M1121 HydrophobicContact CD2-CE 3.48Å; L1110-M1121 VanDerWaalsContact CD2-CE 3.48Å; L1110-M1121 HydrophobicContact CD2-CG 4.05Å; L1110-M1121 HydrophobicContact CD2-SD 4.38Å; L1110-M1121 HydrophobicContact CG-CE 3.76Å; L1110-L1122 HydrophobicContact CD1-CD2 3.72Å; L1110-L1122 HydrophobicContact CD1-CG 4.17Å; L1110-L1122 HydrophobicContact CD2-CG 4.23Å
1111M47.9Very low50.2Low151 Ų15185.4 Ų85.474%0.74448%0.48SS*.G310 helixtrans-76.9-9176.6-70-62.5-60.300114.3N1108 P1109N1108-M1111 PolarHBondContact O-N 3.04Å; P1109-M1111 PolarHBondContact O-N 3.27Å
1112H56.4Low51.6Low176 Ų17683.2 Ų83.282%0.81546%0.463SS*.G310 helixtrans-104.8-2.2175.7-68.5-54.3000113.5P1109 L1110P1109-H1112 PolarHBondContact O-N 2.93Å; L1110-H1112 VanDerWaalsContact C-N 3.29Å; L1110-H1112 PolarHBondContact O-N 3.41Å
1113L57Low53.3Low65 Ų6579.2 Ų79.234%0.3444%0.441SS..SBendtrans-89.9149.1176.1-69.2175.7000111.2L1110 A1117 T1118 M1121L1110-L1113 HydrophobicContact CD2-CD1 4.3Å; L1113-A1117 HydrophobicContact CB-CB 4.05Å; L1113-A1117 HydrophobicContact CD2-CB 4.3Å; L1113-T1118 WeakPolarHBondContact CB-OG1 3.39Å; L1113-T1118 PolarHBondContact O-OG1 3.37Å; L1113-M1121 HydrophobicContact CD1-CB 4.38Å; L1113-M1121 HydrophobicContact CD1-CE 3.97Å; L1113-M1121 HydrophobicContact CD1-SD 3.84Å
1114P60.7Low55Low84 Ų8480.3 Ų80.355%0.54544%0.444SS..  trans-57.3150.9165.1-24.534000111.5D1116 A1117 T1118P1114-D1116 PolarHBondContact O-N 3.39Å; P1114-A1117 WeakPolarHBondContact O-CA 3.23Å; P1114-A1117 WeakPolarHBondContact O-CB 3.47Å; P1114-A1117 PolarHBondContact O-N 3.46Å; P1114-T1118 PolarHBondContact O-N 3.37Å; P1114-T1118 PolarHBondContact O-OG1 3.34Å
1115P56.1Low56.4Low110 Ų11079.6 Ų79.671%0.71444%0.436SS*.Hα-helixtrans-51.5-37.7-175.7-29.836.2000115G1119P1115-G1119 PolarHBondContact O-N 3.31Å
1116D61.9Low57.6Low136 Ų13678 Ų7873%0.72743%0.426SS*.Hα-helixtrans-71.1-33.3178.3-59.8-30.6000112.8P1114 G1119 K1120P1114-D1116 PolarHBondContact O-N 3.39Å; D1116-G1119 PolarHBondContact O-N 3.5Å; D1116-K1120 WeakPolarHBondContact O-CG 3.43Å; D1116-K1120 PolarHBondContact O-N 3.35Å
1117A64.5Low59.2Low34 Ų3481.4 Ų81.428%0.28144%0.442SS..Hα-helixtrans-76.7-38.2174.900000111.4L1113 P1114 G1119 K1120 M1121L1113-A1117 HydrophobicContact CB-CB 4.05Å; L1113-A1117 HydrophobicContact CD2-CB 4.3Å; P1114-A1117 WeakPolarHBondContact O-CA 3.23Å; P1114-A1117 WeakPolarHBondContact O-CB 3.47Å; P1114-A1117 PolarHBondContact O-N 3.46Å; A1117-G1119 VanDerWaalsContact C-N 3.27Å; A1117-G1119 PolarHBondContact O-N 2.98Å; A1117-K1120 PolarHBondContact O-N 2.97Å; A1117-M1121 VanDerWaalsContact O-CB 3.32Å; A1117-M1121 WeakPolarHBondContact O-CB 3.41Å; A1117-M1121 PolarHBondContact O-N 3.46Å
1118T61Low60.5Low31 Ų3178.8 Ų78.819%0.1944%0.436CS..Hα-helixtrans-57.6-42.5166.6-55.10000110.6L1110 L1113 P1114 L1122L1110-T1118 HydrophobicContact CB-CG2 4.21Å; L1110-T1118 HydrophobicContact CD2-CG2 4.15Å; L1110-T1118 PolarHBondContact O-OG1 3.17Å; L1113-T1118 WeakPolarHBondContact CB-OG1 3.39Å; L1113-T1118 PolarHBondContact O-OG1 3.37Å; P1114-T1118 PolarHBondContact O-N 3.37Å; P1114-T1118 PolarHBondContact O-OG1 3.34Å; T1118-L1122 HydrophobicContact CG2-CD1 3.98Å; T1118-L1122 VanDerWaalsContact O-CB 3.29Å; T1118-L1122 WeakPolarHBondContact O-CB 3.42Å; T1118-L1122 VanDerWaalsContact O-CG 3.24Å; T1118-L1122 WeakPolarHBondContact O-CG 3.37Å; T1118-L1122 PolarHBondContact O-N 2.96Å
1119G65.1Low61.2Low38 Ų3879.3 Ų79.339%0.39244%0.441SS..Hα-helixtrans-64.7-47.4176.800000113.5P1115 D1116 A1117 A1123P1115-G1119 PolarHBondContact O-N 3.31Å; D1116-G1119 PolarHBondContact O-N 3.5Å; A1117-G1119 VanDerWaalsContact C-N 3.27Å; A1117-G1119 PolarHBondContact O-N 2.98Å; G1119-A1123 WeakPolarHBondContact O-CB 3.47Å; G1119-A1123 PolarHBondContact O-N 2.91Å
1120K67.7Low61.6Low146 Ų14680.3 Ų80.364%0.63545%0.445SS*.Hα-helixtrans-59.1-52.4173.3-78.7-177177.4-178.90111.6D1116 A1117 L1122 A1123 E1124D1116-K1120 WeakPolarHBondContact O-CG 3.43Å; D1116-K1120 PolarHBondContact O-N 3.35Å; A1117-K1120 PolarHBondContact O-N 2.97Å; K1120-L1122 VanDerWaalsContact C-N 3.33Å; K1120-L1122 PolarHBondContact O-N 3.21Å; K1120-A1123 WeakPolarHBondContact O-CB 3.47Å; K1120-A1123 PolarHBondContact O-N 2.84Å; K1120-E1124 WeakPolarHBondContact O-CG 3.44Å; K1120-E1124 PolarHBondContact O-N 2.99Å
1121M62.2Low62.5Low44 Ų4485.7 Ų85.722%0.21747%0.47CS..Hα-helixtrans-66.4-33.9-175.7-167.1162.110500112.2P1109 L1110 L1113 A1117 I1125 M1457P1109-M1121 HydrophobicContact CG-CE 4.43Å; L1110-M1121 HydrophobicContact CD2-CB 3.89Å; L1110-M1121 HydrophobicContact CD2-CE 3.48Å; L1110-M1121 VanDerWaalsContact CD2-CE 3.48Å; L1110-M1121 HydrophobicContact CD2-CG 4.05Å; L1110-M1121 HydrophobicContact CD2-SD 4.38Å; L1110-M1121 HydrophobicContact CG-CE 3.76Å; L1113-M1121 HydrophobicContact CD1-CB 4.38Å; L1113-M1121 HydrophobicContact CD1-CE 3.97Å; L1113-M1121 HydrophobicContact CD1-SD 3.84Å; A1117-M1121 VanDerWaalsContact O-CB 3.32Å; A1117-M1121 WeakPolarHBondContact O-CB 3.41Å; A1117-M1121 PolarHBondContact O-N 3.46Å; M1121-I1125 HydrophobicContact CG-CD1 4.19Å; M1121-I1125 WeakPolarHBondContact O-CB 3.3Å; M1121-I1125 WeakPolarHBondContact O-CD1 3.49Å; M1121-I1125 WeakPolarHBondContact O-CG1 3.33Å; M1121-I1125 PolarHBondContact O-N 3.2Å; M1121-M1457 HydrophobicContact CE-CE 3.72Å; M1121-M1457 HydrophobicContact CE-SD 4.1Å; M1121-M1457 HydrophobicContact SD-CE 4.49Å
1122L65.9Low63.3Low74 Ų7483.3 Ų83.339%0.38746%0.456SS..Hα-helixtrans-65.5-39.9169.7-77.7170.5000112.5L1110 T1118 K1120 I1125 E1126L1110-L1122 HydrophobicContact CD1-CD2 3.72Å; L1110-L1122 HydrophobicContact CD1-CG 4.17Å; L1110-L1122 HydrophobicContact CD2-CG 4.23Å; T1118-L1122 HydrophobicContact CG2-CD1 3.98Å; T1118-L1122 VanDerWaalsContact O-CB 3.29Å; T1118-L1122 WeakPolarHBondContact O-CB 3.42Å; T1118-L1122 VanDerWaalsContact O-CG 3.24Å; T1118-L1122 WeakPolarHBondContact O-CG 3.37Å; T1118-L1122 PolarHBondContact O-N 2.96Å; K1120-L1122 VanDerWaalsContact C-N 3.33Å; K1120-L1122 PolarHBondContact O-N 3.21Å; L1122-I1125 PolarHBondContact O-N 3.45Å; L1122-E1126 WeakPolarHBondContact O-CB 3.39Å; L1122-E1126 WeakPolarHBondContact O-CG 3.4Å; L1122-E1126 PolarHBondContact O-N 2.94Å
1123A66Low63.3Low31 Ų3177.5 Ų77.526%0.25643%0.433SS..Hα-helixtrans-66.9-38.8176.600000112.3G1119 K1120 E1126 D1127G1119-A1123 WeakPolarHBondContact O-CB 3.47Å; G1119-A1123 PolarHBondContact O-N 2.91Å; K1120-A1123 WeakPolarHBondContact O-CB 3.47Å; K1120-A1123 PolarHBondContact O-N 2.84Å; A1123-E1126 PolarHBondContact O-N 3.02Å; A1123-D1127 WeakPolarHBondContact O-CB 3.22Å; A1123-D1127 PolarHBondContact O-N 3.3Å
1124E68.9Low63.5Low127 Ų12776 Ų7659%0.59343%0.427SS*.Hα-helixtrans-65.2-40.9174.6-72.6167-159.400111.7K1120 D1127 A1128K1120-E1124 WeakPolarHBondContact O-CG 3.44Å; K1120-E1124 PolarHBondContact O-N 2.99Å; E1124-D1127 PolarHBondContact O-N 3.44Å; E1124-A1128 VanDerWaalsContact O-CB 3.28Å; E1124-A1128 WeakPolarHBondContact O-CB 3.32Å; E1124-A1128 PolarHBondContact O-N 3.27Å
1125I66Low63.5Low63 Ų6377.8 Ų77.832%0.32343%0.428SS..Hα-helixtrans-65.8-42.8173.1-68.2163.8000111.1M1121 L1122 A1128 V1129M1121-I1125 HydrophobicContact CG-CD1 4.19Å; M1121-I1125 WeakPolarHBondContact O-CB 3.3Å; M1121-I1125 WeakPolarHBondContact O-CD1 3.49Å; M1121-I1125 WeakPolarHBondContact O-CG1 3.33Å; M1121-I1125 PolarHBondContact O-N 3.2Å; L1122-I1125 PolarHBondContact O-N 3.45Å; I1125-A1128 PolarHBondContact O-N 3.2Å; I1125-V1129 HydrophobicContact CG2-CG2 4.4Å; I1125-V1129 WeakPolarHBondContact O-CB 3.27Å; I1125-V1129 VanDerWaalsContact O-CG2 3.31Å; I1125-V1129 WeakPolarHBondContact O-CG2 3.36Å; I1125-V1129 PolarHBondContact O-N 2.8Å
1126E62.2Low63.7Low78 Ų7881 Ų8136%0.36443%0.426SS..Hα-helixtrans-62.9-40176.1-77.7-174.2-176.800112.1L1122 A1123 L1130 R1213L1122-E1126 WeakPolarHBondContact O-CB 3.39Å; L1122-E1126 WeakPolarHBondContact O-CG 3.4Å; L1122-E1126 PolarHBondContact O-N 2.94Å; A1123-E1126 PolarHBondContact O-N 3.02Å; E1126-L1130 VanDerWaalsContact O-CB 3.27Å; E1126-L1130 WeakPolarHBondContact O-CB 3.48Å; E1126-L1130 PolarHBondContact O-N 2.85Å; E1126-R1213 IonicContact OE1-NH1 2.87Å; E1126-R1213 PolarHBondContact OE1-NH1 3.09Å
1127D69Low63.1Low89 Ų8975.7 Ų75.748%0.47640%0.401SS..Hα-helixtrans-73.9-33.2177.2-78-13.3000112.4A1123 E1124 L1130 E1131 R1210A1123-D1127 WeakPolarHBondContact O-CB 3.22Å; A1123-D1127 PolarHBondContact O-N 3.3Å; E1124-D1127 PolarHBondContact O-N 3.44Å; D1127-L1130 WeakPolarHBondContact O-CB 3.14Å; D1127-L1130 PolarHBondContact O-N 3.01Å; D1127-E1131 PolarHBondContact O-N 2.93Å; D1127-R1210 IonicContact OD1-NH1 3Å
1128A66.5Low62.4Low58 Ų5876.7 Ų76.748%0.47940%0.404SS..Hα-helixtrans-70.7-41174.100000112.8E1124 I1125 L1130 E1131 E1132E1124-A1128 VanDerWaalsContact O-CB 3.28Å; E1124-A1128 WeakPolarHBondContact O-CB 3.32Å; E1124-A1128 PolarHBondContact O-N 3.27Å; I1125-A1128 PolarHBondContact O-N 3.2Å; A1128-L1130 VanDerWaalsContact C-N 3.31Å; A1128-E1131 PolarHBondContact O-N 3.22Å; A1128-E1131 VanDerWaalsContact O-N 3.15Å; A1128-E1132 PolarHBondContact O-N 3.17Å
1129V63.3Low61.9Low80 Ų8079 Ų7949%0.48542%0.421SS..Hα-helixtrans-66.6-34.7172.7171.60000110.8I1125 E1131 V1133I1125-V1129 HydrophobicContact CG2-CG2 4.4Å; I1125-V1129 WeakPolarHBondContact O-CB 3.27Å; I1125-V1129 VanDerWaalsContact O-CG2 3.31Å; I1125-V1129 WeakPolarHBondContact O-CG2 3.36Å; I1125-V1129 PolarHBondContact O-N 2.8Å; V1129-E1131 VanDerWaalsContact C-N 3.32Å; V1129-V1133 HydrophobicContact CG1-CG2 4.14Å; V1129-V1133 VanDerWaalsContact O-CB 3.25Å; V1129-V1133 WeakPolarHBondContact O-CB 3.41Å; V1129-V1133 WeakPolarHBondContact O-CG2 3.23Å; V1129-V1133 PolarHBondContact O-N 3.45Å
1130L56.8Low60.7Low53 Ų5381.2 Ų81.228%0.27742%0.423SS..Hα-helixtrans-61.4-38.9169.9171.469000111.7E1126 D1127 A1128 T1134 L1206E1126-L1130 VanDerWaalsContact O-CB 3.27Å; E1126-L1130 WeakPolarHBondContact O-CB 3.48Å; E1126-L1130 PolarHBondContact O-N 2.85Å; D1127-L1130 WeakPolarHBondContact O-CB 3.14Å; D1127-L1130 PolarHBondContact O-N 3.01Å; A1128-L1130 VanDerWaalsContact C-N 3.31Å; L1130-T1134 HydrophobicContact CD1-CG2 4.15Å; L1130-T1134 WeakPolarHBondContact O-CB 3.46Å; L1130-T1134 VanDerWaalsContact O-CG2 3.31Å; L1130-T1134 WeakPolarHBondContact O-CG2 3.2Å; L1130-T1134 PolarHBondContact O-N 3.43Å; L1130-T1134 PolarHBondContact O-OG1 2.94Å; L1130-L1206 HydrophobicContact CD1-CD1 3.56Å
1131E66.7Low59.4Low132 Ų13278.2 Ų78.262%0.61742%0.418SS*.Hα-helixtrans-66.2-53.6175-166.2156.4-13200111.4D1127 A1128 V1129 V1133 T1134 E1135D1127-E1131 PolarHBondContact O-N 2.93Å; A1128-E1131 PolarHBondContact O-N 3.22Å; A1128-E1131 VanDerWaalsContact O-N 3.15Å; V1129-E1131 VanDerWaalsContact C-N 3.32Å; E1131-V1133 VanDerWaalsContact C-N 3.34Å; E1131-V1133 PolarHBondContact O-N 3.3Å; E1131-T1134 PolarHBondContact O-N 3Å; E1131-T1134 VanDerWaalsContact O-N 3.08Å; E1131-T1134 PolarHBondContact O-OG1 3.19Å; E1131-T1134 VanDerWaalsContact O-OG1 3.09Å; E1131-E1135 PolarHBondContact O-N 3.38Å
1132E65Low58.2Low100 Ų10085.4 Ų85.447%0.46744%0.443SS..Hα-helixtrans-58-44.9177.7-163.2-138.213400111.6A1128 T1134 E1135 R1136A1128-E1132 PolarHBondContact O-N 3.17Å; E1132-T1134 VanDerWaalsContact C-N 3.29Å; E1132-T1134 PolarHBondContact O-N 2.73Å; E1132-E1135 PolarHBondContact O-N 3.29Å; E1132-R1136 WeakPolarHBondContact O-CB 3.35Å; E1132-R1136 PolarHBondContact O-N 3.3Å; E1132-R1136 WeakPolarHBondContact OE1-CD 3.43Å; E1132-R1136 IonicContact OE1-CZ 3.68Å; E1132-R1136 IonicContact OE1-NH1 3.6Å; E1132-R1136 PolarHBondContact OE1-NH1 3.32Å
1133V57.3Low57Low54 Ų5488.8 Ų88.833%0.32746%0.457SS..Hα-helixtrans-65.9-32-180172.40000111.5V1129 E1131 A1137 V1202V1129-V1133 HydrophobicContact CG1-CG2 4.14Å; V1129-V1133 VanDerWaalsContact O-CB 3.25Å; V1129-V1133 WeakPolarHBondContact O-CB 3.41Å; V1129-V1133 WeakPolarHBondContact O-CG2 3.23Å; V1129-V1133 PolarHBondContact O-N 3.45Å; E1131-V1133 VanDerWaalsContact C-N 3.34Å; E1131-V1133 PolarHBondContact O-N 3.3Å; V1133-A1137 WeakPolarHBondContact O-CB 3.38Å; V1133-A1137 PolarHBondContact O-N 2.87Å; V1133-V1202 HydrophobicContact CG1-CG1 3.94Å
1134T59.9Low55.8Low33 Ų3389.5 Ų89.520%0.20246%0.463CS..Hα-helixtrans-79.4-33.817554.10000113.3L1130 E1131 E1132 A1137 T1138L1130-T1134 HydrophobicContact CD1-CG2 4.15Å; L1130-T1134 WeakPolarHBondContact O-CB 3.46Å; L1130-T1134 VanDerWaalsContact O-CG2 3.31Å; L1130-T1134 WeakPolarHBondContact O-CG2 3.2Å; L1130-T1134 PolarHBondContact O-N 3.43Å; L1130-T1134 PolarHBondContact O-OG1 2.94Å; E1131-T1134 PolarHBondContact O-N 3Å; E1131-T1134 VanDerWaalsContact O-N 3.08Å; E1131-T1134 PolarHBondContact O-OG1 3.19Å; E1131-T1134 VanDerWaalsContact O-OG1 3.09Å; E1132-T1134 VanDerWaalsContact C-N 3.29Å; E1132-T1134 PolarHBondContact O-N 2.73Å; T1134-A1137 PolarHBondContact O-N 2.86Å; T1134-T1138 WeakPolarHBondContact O-CB 3.24Å; T1134-T1138 VanDerWaalsContact O-CG2 3.28Å; T1134-T1138 WeakPolarHBondContact O-CG2 3.36Å; T1134-T1138 PolarHBondContact O-N 3.19Å; T1134-T1138 PolarHBondContact O-OG1 3.02Å
1135E62.6Low54.5Low122 Ų12290.3 Ų90.357%0.5747%0.467SS*.Hα-helixtrans-62.8-43.3167.7-69.9-155.8140.700111.4E1131 E1132 A1137 T1138 S1139E1131-E1135 PolarHBondContact O-N 3.38Å; E1132-E1135 PolarHBondContact O-N 3.29Å; E1135-A1137 PolarHBondContact O-N 2.84Å; E1135-T1138 WeakPolarHBondContact CA-OG1 3.44Å; E1135-T1138 PolarHBondContact O-N 2.92Å; E1135-T1138 VanDerWaalsContact O-N 3.15Å; E1135-T1138 PolarHBondContact O-OG1 3.25Å; E1135-S1139 WeakPolarHBondContact O-CB 3.31Å; E1135-S1139 PolarHBondContact O-N 3.3Å; E1135-S1139 PolarHBondContact O-OG 3.44Å
1136R59.5Low53.3Low177 Ų17794.1 Ų94.167%0.66849%0.486SS*.Hα-helixtrans-71.2-28.1179.4-165172.8-167.5142.71.5113.5E1132E1132-R1136 WeakPolarHBondContact O-CB 3.35Å; E1132-R1136 PolarHBondContact O-N 3.3Å; E1132-R1136 WeakPolarHBondContact OE1-CD 3.43Å; E1132-R1136 IonicContact OE1-CZ 3.68Å; E1132-R1136 IonicContact OE1-NH1 3.6Å; E1132-R1136 PolarHBondContact OE1-NH1 3.32Å
1137A49.9Very low51.8Low26 Ų2699.9 Ų99.922%0.21551%0.506CS..Hα-helixtrans-84.2-8.9170.800000113.6V1133 T1134 E1135V1133-A1137 WeakPolarHBondContact O-CB 3.38Å; V1133-A1137 PolarHBondContact O-N 2.87Å; T1134-A1137 PolarHBondContact O-N 2.86Å; E1135-A1137 PolarHBondContact O-N 2.84Å
1138T48.4Very low50.2Low55 Ų55100.4 Ų100.434%0.33751%0.509SS..Hα-helixtrans-107.9-22.6176.852.70000114.1T1134 E1135 R1195T1134-T1138 WeakPolarHBondContact O-CB 3.24Å; T1134-T1138 VanDerWaalsContact O-CG2 3.28Å; T1134-T1138 WeakPolarHBondContact O-CG2 3.36Å; T1134-T1138 PolarHBondContact O-N 3.19Å; T1134-T1138 PolarHBondContact O-OG1 3.02Å; E1135-T1138 WeakPolarHBondContact CA-OG1 3.44Å; E1135-T1138 PolarHBondContact O-N 2.92Å; E1135-T1138 VanDerWaalsContact O-N 3.15Å; E1135-T1138 PolarHBondContact O-OG1 3.25Å; T1138-R1195 PolarHBondContact O-NH1 2.72Å
1139S50.6Low48.6Very low79 Ų79103.4 Ų103.455%0.55252%0.523SS*.PPolyproline II helixtrans-79.5133.8171.747.40000111.9E1135E1135-S1139 WeakPolarHBondContact O-CB 3.31Å; E1135-S1139 PolarHBondContact O-N 3.3Å; E1135-S1139 PolarHBondContact O-OG 3.44Å
1140I39.4Very low47.4Very low84 Ų84103.6 Ų103.643%0.43153%0.534SS..PPolyproline II helixtrans-100.4133.9176.8-62.6176.3000107.4R1142 A1144I1140-R1142 PolarHBondContact O-N 3.17Å; I1140-A1144 HydrophobicContact CG2-CB 3.79Å
1141P41.5Very low46.4Very low83 Ų83105.7 Ų105.754%0.53955%0.548SS..PPolyproline II helixtrans-58.8136.6171.4-21.533000110.3E1143 A1144P1141-E1143 WeakPolarHBondContact CB-OE2 3.49Å; P1141-E1143 PolarHBondContact O-N 2.87Å; P1141-E1143 VanDerWaalsContact O-N 3.07Å; P1141-A1144 WeakPolarHBondContact O-CB 3.32Å; P1141-A1144 PolarHBondContact O-N 2.59Å
1142R37.4Very low44.7Very low196 Ų196107.1 Ų107.174%0.7456%0.56SS**G310 helixtrans-64.2-20.9-171.9-151.4-178.7-167.6-174.73.8112.7I1140 A1144 E1145I1140-R1142 PolarHBondContact O-N 3.17Å; R1142-A1144 VanDerWaalsContact C-N 3.27Å; R1142-A1144 PolarHBondContact O-N 3.4Å; R1142-E1145 PolarHBondContact O-N 3Å
1143E40.9Very low43.1Very low144 Ų144109.2 Ų109.267%0.67358%0.575SS**G310 helixtrans-66.7-27.1173.1-54.175.4-164.500112.3P1141P1141-E1143 WeakPolarHBondContact CB-OE2 3.49Å; P1141-E1143 PolarHBondContact O-N 2.87Å; P1141-E1143 VanDerWaalsContact O-N 3.07Å
1144A40.5Very low42Very low47 Ų47115.9 Ų115.939%0.38860%0.6SS.*G310 helixtrans-85.7-4.317800000113.6I1140 P1141 R1142 I1146I1140-A1144 HydrophobicContact CG2-CB 3.79Å; P1141-A1144 WeakPolarHBondContact O-CB 3.32Å; P1141-A1144 PolarHBondContact O-N 2.59Å; R1142-A1144 VanDerWaalsContact C-N 3.27Å; R1142-A1144 PolarHBondContact O-N 3.4Å; A1144-I1146 VanDerWaalsContact C-N 3.26Å
1145E41Very low40.6Very low143 Ų143120.4 Ų120.467%0.66862%0.622SS**G310 helixtrans-81.9-4.8168.7-59.7-171.2127.500112.6R1142R1142-E1145 PolarHBondContact O-N 3Å
1146I40.3Very low39.3Very low144 Ų144122.7 Ų122.774%0.73864%0.639SS**SBendtrans-102.6-11-173.9-60.6176.6000112.3A1144A1144-I1146 VanDerWaalsContact C-N 3.26Å
1147Y30.5Very low37.9Very low198 Ų198120 Ų12078%0.77664%0.642SS**  trans-101.982.3-176.2-155.4-94000112.4P1149Y1147-P1149 HydrophobicContact CD1-CG 4.24Å; Y1147-P1149 HydrophobicContact CE1-CG 4.28Å; Y1147-P1149 WeakPolarHBondContact O-CD 3.41Å
1148D36.2Very low37.1Very low101 Ų101124.4 Ų124.454%0.5467%0.671SS.*  trans-91.3111.2167-173.9-19.4000109.8A1150 V1151D1148-A1150 PolarHBondContact O-N 3.47Å; D1148-A1150 WeakPolarHBondContact OD1-CB 3.44Å; D1148-A1150 PolarHBondContact OD1-N 2.94Å; D1148-V1151 HydrophobicContact CB-CG2 4.4Å; D1148-V1151 WeakPolarHBondContact OD2-CG2 3.48Å
1149P33.8Very low36.6Very low120 Ų120126.3 Ų126.378%0.77969%0.687SS**THydrogen-bonded Turntrans-68.3-0.4-179.2-19.433.8000115.2Y1147Y1147-P1149 HydrophobicContact CD1-CG 4.24Å; Y1147-P1149 HydrophobicContact CE1-CG 4.28Å; Y1147-P1149 WeakPolarHBondContact O-CD 3.41Å
1150A37.1Very low35.8Very low85 Ų85128 Ų12870%0.70269%0.694SS**THydrogen-bonded Turntrans-107.50.8-175.500000115D1148D1148-A1150 PolarHBondContact O-N 3.47Å; D1148-A1150 WeakPolarHBondContact OD1-CB 3.44Å; D1148-A1150 PolarHBondContact OD1-N 2.94Å
1151V35Very low35.6Very low96 Ų96130.7 Ų130.758%0.58271%0.709SS**  trans-128.866.4-170.2-164.20000113.3D1148D1148-V1151 HydrophobicContact CB-CG2 4.4Å; D1148-V1151 WeakPolarHBondContact OD2-CG2 3.48Å
1152D32.4Very low35.2Very low163 Ų163132 Ų13287%0.87272%0.72SS**  trans-147.175.7153.6-134.4-14.7000111.2
1153N31.8Very low35.1Very low144 Ų144127.6 Ų127.677%0.7772%0.72SS**  trans-144.556-178.1-154.4-12.2000110.6
1154F33.4Very low34.9Very low194 Ų194125.2 Ų125.285%0.85172%0.719SS**  trans-110.6117.9177.6-99.6-87.9000111.8
1155N31.5Very low34.7Very low127 Ų127129.8 Ų129.868%0.67974%0.737SS**  trans-73.1139.1167.2-67.4-85.8000109.7
1156D33.3Very low34.5Very low170 Ų170129.4 Ų129.491%0.90974%0.739SS**  trans-134.898.9154.8-126.8-25000109.7
1157T31.4Very low34.1Very low122 Ų122130.9 Ų130.975%0.74874%0.743SS**  trans-117.498.9-172.755.20000112.2
1158S33.7Very low34.2Very low117 Ų117128.7 Ų128.782%0.81875%0.75SS**  trans-158.3143.3153.964.30000109
1159S36.2Very low34Very low95 Ų95128.9 Ų128.966%0.66476%0.76SS**  cis-157.5149.47.9520000112
1160T34.6Very low33.9Very low114 Ų114130.1 Ų130.170%0.69977%0.765SS**  trans55.7135.9144.4550000119.9
1161D34.5Very low33.6Very low141 Ų141133.3 Ų133.375%0.75477%0.769SS**  cis-161.6146.411.4-109.4-25000113.5
1162S34.1Very low33.4Very low111 Ų111136.3 Ų136.378%0.77678%0.776SS**  trans55.3133.3155.370.70000119.9
1163S35.7Very low33.4Very low103 Ų103136.7 Ų136.772%0.7278%0.778SS**  cis-169.7153.442.545.60000113.1
1164S35.4Very low33.3Very low95 Ų95134.8 Ų134.866%0.66477%0.771SS**  trans42.4132.9151.150.10000121.2
1165D36Very low33.3Very low142 Ų142133.7 Ų133.776%0.75977%0.766SS**  cis-162.3169.88.7-96.7-26.1000112.4
1166N37.2Very low33.3Very low135 Ų135136.6 Ų136.672%0.72277%0.773SS**  trans65.9100167.2-57.6-31.8000117.4
1167Q32.4Very low33.3Very low176 Ų176136 Ų13682%0.82277%0.765SS**  74.597.763.4-66.8-172.325.600116.4
1168T32.1Very low33.4Very low151 Ų151140.2 Ų140.293%0.92677%0.772SS**  -161.1165109.72.50000110.2
1169S31.4Very low33.2Very low106 Ų106139.1 Ų139.174%0.74177%0.765SS**  trans-155.6140.8-165.659.20000114.2
1170V32Very low33Very low146 Ų146142.6 Ų142.689%0.88577%0.77SS**  trans-137.5135.8153-175.40000108.7
1171I32.3Very low32.9Very low152 Ų152144.3 Ų144.378%0.77977%0.774SS**  trans-135.4159.2174.5-63.4176.8000107
1172E30.5Very low32.5Very low158 Ų158140.6 Ų140.674%0.73876%0.756SS**  trans95106.7172.5-57.9-155.6112.100116.9
1173L31.7Very low32.4Very low172 Ų172140.5 Ų140.590%0.90175%0.751SS**  trans-154.268.3134-113.3168.4000111.4
1174T29.9Very low32.2Very low104 Ų104142.7 Ų142.764%0.63876%0.755SS**  trans-101146.8164.360.70000110.3
1175K33Very low31.9Very low170 Ų170146.3 Ų146.374%0.73976%0.761SS**  trans8666.1172-42.6145.8-169.3150.80118.4
1176F31.6Very low31.8Very low189 Ų189146.4 Ų146.483%0.82976%0.76SS**  trans-153.7140.5145.8-92.4-83.3000107.5
1177H34.1Very low31.7Very low158 Ų158143.6 Ų143.673%0.73175%0.75SS**  cis-152149.4-11.1-155.1-129.7000109.8
1178K32.1Very low32Very low210 Ų210144.1 Ų144.191%0.91375%0.749SS**  trans-94107.5178.5-82.4-174.8175.1178.30112.4
1179S31.6Very low32.3Very low94 Ų94141.3 Ų141.366%0.65773%0.729SS**  trans-160.6107.2163.152.30000115
1180H30.8Very low32.8Very low168 Ų168141.2 Ų141.278%0.77873%0.725SS**  trans6.8113.9158.7-66.3-81000120.5
1181I31.6Very low33.2Very low150 Ų150139 Ų13977%0.76971%0.706SS**  trans-125147135-62.8-179.2000106.9
1182T27.3Very low34.1Very low63 Ų63135 Ų13539%0.38769%0.685SS.*  trans-126.5117.1175.759.90000111F1294T1182-F1294 HydrophobicContact CG2-CE1 3.73Å; T1182-F1294 HydrophobicContact CG2-CZ 3.87Å; T1182-F1294 VanDerWaalsContact OG1-CE1 3.3Å; T1182-F1294 WeakPolarHBondContact OG1-CE1 3.44Å; T1182-F1294 WeakPolarHBondContact OG1-CE2 3.34Å; T1182-F1294 WeakPolarHBondContact OG1-CZ 3.11Å
1183T32.3Very low35.3Very low109 Ų109128.5 Ų128.567%0.66966%0.656SS**  trans-125.8142.4162.440.20000107.3
1184N30.1Very low36.8Very low149 Ų149124.1 Ų124.180%0.79763%0.634SS**  trans-88.5155.2-172.5-67.8-15.7000111.4
1185E30.4Very low38.6Very low170 Ų170123.8 Ų123.879%0.79462%0.621SS**  trans6157.5163.2-64.4-178.4-154.800117.4
1186L34.1Very low40.4Very low144 Ų144121.6 Ų121.675%0.75461%0.608SS**PPolyproline II helixtrans-67.4129142.3-96.7148.9000108.8
1187P34.4Very low42.5Very low77 Ų77113.7 Ų113.750%0.558%0.575SS.*PPolyproline II helixtrans-60.8137.4176.7-23.934.4000112
1188K38.9Very low44.2Very low186 Ų186110.3 Ų110.381%0.80956%0.562SS**SBendtrans-79.4127.8169-66.1179.2-179177.40108.8
1189N38.5Very low46.3Very low93 Ų93101.9 Ų101.950%0.49753%0.527SS..  trans59.9111.1179.5-166.6-10.4000114.8M1191 E1192N1189-M1191 PolarHBondContact O-N 2.97Å; N1189-M1191 VanDerWaalsContact O-N 3.13Å; N1189-M1191 WeakPolarHBondContact OD1-CB 3.48Å; N1189-M1191 WeakPolarHBondContact OD1-CG 3.27Å; N1189-M1191 PolarHBondContact OD1-N 3.36Å; N1189-E1192 PolarHBondContact O-N 3.43Å
1190P42Very low48.7Very low103 Ų10399.2 Ų99.267%0.66950%0.503SS*.Hα-helixtrans-50.2-36.6174.3-28.436.3000114.1E1192 C1193 D1194P1190-E1192 PolarHBondContact O-N 2.82Å; P1190-E1192 VanDerWaalsContact O-N 3.11Å; P1190-C1193 WeakPolarHBondContact O-CB 3.2Å; P1190-C1193 PolarHBondContact O-N 2.89Å; P1190-D1194 PolarHBondContact O-N 3.19Å
1191M41Very low50.9Low99 Ų9996.3 Ų96.349%0.48849%0.489SS..Hα-helixtrans-57.5-28.7179.9-60.2173.573.500113.1N1189 R1195N1189-M1191 PolarHBondContact O-N 2.97Å; N1189-M1191 VanDerWaalsContact O-N 3.13Å; N1189-M1191 WeakPolarHBondContact OD1-CB 3.48Å; N1189-M1191 WeakPolarHBondContact OD1-CG 3.27Å; N1189-M1191 PolarHBondContact OD1-N 3.36Å; M1191-R1195 WeakPolarHBondContact O-CB 3.1Å; M1191-R1195 PolarHBondContact O-N 2.75Å
1192E51Low52.9Low70 Ų7090.8 Ų90.833%0.32746%0.463SS..Hα-helixtrans-76.9-25.6178-143-158.1127.100112.6N1189 P1190 R1196N1189-E1192 PolarHBondContact O-N 3.43Å; P1190-E1192 PolarHBondContact O-N 2.82Å; P1190-E1192 VanDerWaalsContact O-N 3.11Å; E1192-R1196 WeakPolarHBondContact O-CD 3.35Å; E1192-R1196 VanDerWaalsContact O-CG 3.23Å; E1192-R1196 WeakPolarHBondContact O-CG 3.37Å; E1192-R1196 PolarHBondContact O-N 2.97Å; E1192-R1196 VanDerWaalsContact O-N 3.15Å; E1192-R1196 IonicContact OE1-CZ 3.93Å; E1192-R1196 IonicContact OE1-NE 3.6Å; E1192-R1196 PolarHBondContact OE1-NE 3.26Å; E1192-R1196 IonicContact OE1-NH2 3.95Å; E1192-R1196 PolarHBondContact OE1-NH2 2.75Å
1193C54.3Low55.4Low20 Ų2090.8 Ų90.814%0.13546%0.458CS..Hα-helixtrans-69.1-43.6171.3-172.10000110.5P1190 R1196 T1197 E1236 R1240P1190-C1193 WeakPolarHBondContact O-CB 3.2Å; P1190-C1193 PolarHBondContact O-N 2.89Å; C1193-R1196 PolarHBondContact O-N 3.2Å; C1193-T1197 WeakPolarHBondContact O-CB 3.37Å; C1193-T1197 PolarHBondContact O-N 2.9Å; C1193-T1197 PolarHBondContact O-OG1 3.37Å; C1193-E1236 PolarHBondContact SG-OE1 3.17Å; C1193-R1240 PolarHBondContact O-NH2 2.79Å
1194D64.9Low58Low81 Ų8189.5 Ų89.543%0.43344%0.441SS..Hα-helixtrans-62.1-47.2174.1-68.2-44.6000111.8P1190 R1196 T1197 L1198 R1240P1190-D1194 PolarHBondContact O-N 3.19Å; D1194-R1196 VanDerWaalsContact C-N 3.3Å; D1194-R1196 PolarHBondContact O-N 2.82Å; D1194-T1197 PolarHBondContact O-N 3.06Å; D1194-T1197 VanDerWaalsContact O-N 3.08Å; D1194-L1198 WeakPolarHBondContact O-CB 3.29Å; D1194-L1198 PolarHBondContact O-N 3.38Å; D1194-R1240 IonicContact OD1-CZ 2.76Å; D1194-R1240 IonicContact OD1-NH1 2.84Å; D1194-R1240 PolarHBondContact OD1-NH1 3.23Å; D1194-R1240 IonicContact OD1-NH2 3.63Å; D1194-R1240 PolarHBondContact OD1-NH2 3.47Å
1195R66.4Low60.1Low97 Ų9786.3 Ų86.337%0.36642%0.421SS..Hα-helixtrans-57.5-39.7178-163.8174.973.8143.7-0.4112.8T1138 M1191 N1199T1138-R1195 PolarHBondContact O-NH1 2.72Å; M1191-R1195 WeakPolarHBondContact O-CB 3.1Å; M1191-R1195 PolarHBondContact O-N 2.75Å; R1195-N1199 WeakPolarHBondContact O-CB 3.46Å; R1195-N1199 PolarHBondContact O-N 3.07Å; R1195-N1199 VanDerWaalsContact O-N 3.16Å
1196R72Confident62.3Low123 Ų12381.3 Ų81.346%0.46440%0.4SS..Hα-helixtrans-69.9-39.9175.3-70.1169.3-174.1-161.13.4112.4E1192 C1193 D1194 N1199 W1200E1192-R1196 WeakPolarHBondContact O-CD 3.35Å; E1192-R1196 VanDerWaalsContact O-CG 3.23Å; E1192-R1196 WeakPolarHBondContact O-CG 3.37Å; E1192-R1196 PolarHBondContact O-N 2.97Å; E1192-R1196 VanDerWaalsContact O-N 3.15Å; E1192-R1196 IonicContact OE1-CZ 3.93Å; E1192-R1196 IonicContact OE1-NE 3.6Å; E1192-R1196 PolarHBondContact OE1-NE 3.26Å; E1192-R1196 IonicContact OE1-NH2 3.95Å; E1192-R1196 PolarHBondContact OE1-NH2 2.75Å; C1193-R1196 PolarHBondContact O-N 3.2Å; D1194-R1196 VanDerWaalsContact C-N 3.3Å; D1194-R1196 PolarHBondContact O-N 2.82Å; R1196-N1199 PolarHBondContact O-N 2.89Å; R1196-W1200 PolarHBondContact O-N 2.81Å
1197T75Confident64.8Low24 Ų2475.5 Ų75.515%0.14737%0.37CS..Hα-helixtrans-65.4-46.8179.9-53.20000110.7C1193 D1194 N1199 W1200 Q1201 F1233 R1240C1193-T1197 WeakPolarHBondContact O-CB 3.37Å; C1193-T1197 PolarHBondContact O-N 2.9Å; C1193-T1197 PolarHBondContact O-OG1 3.37Å; D1194-T1197 PolarHBondContact O-N 3.06Å; D1194-T1197 VanDerWaalsContact O-N 3.08Å; T1197-N1199 PolarHBondContact O-N 2.93Å; T1197-W1200 PolarHBondContact O-N 2.85Å; T1197-Q1201 PolarHBondContact O-N 2.74Å; T1197-Q1201 VanDerWaalsContact O-N 3.1Å; T1197-F1233 HydrophobicContact CG2-CD1 4.37Å; T1197-F1233 HydrophobicContact CG2-CE1 3.9Å; T1197-R1240 PolarHBondContact OG1-NH2 3.04Å; T1197-R1240 VanDerWaalsContact OG1-NH2 3.11Å
1198L70.6Confident66.9Low87 Ų8773.9 Ų73.946%0.45536%0.358SS..Hα-helixtrans-61.2-43.6176-176.665.7000112D1194 W1200 Q1201 V1202D1194-L1198 WeakPolarHBondContact O-CB 3.29Å; D1194-L1198 PolarHBondContact O-N 3.38Å; L1198-W1200 VanDerWaalsContact C-N 3.32Å; L1198-W1200 PolarHBondContact O-N 3.41Å; L1198-Q1201 WeakPolarHBondContact O-CB 3.5Å; L1198-Q1201 PolarHBondContact O-N 2.67Å; L1198-V1202 PolarHBondContact O-N 3.15Å
1199N74.8Confident68.7Low32 Ų3272.1 Ų72.117%0.17135%0.346CS..Hα-helixtrans-58.8-41.5177.1-174.8-86.9000112R1195 R1196 T1197 Q1201 Q1203R1195-N1199 WeakPolarHBondContact O-CB 3.46Å; R1195-N1199 PolarHBondContact O-N 3.07Å; R1195-N1199 VanDerWaalsContact O-N 3.16Å; R1196-N1199 PolarHBondContact O-N 2.89Å; T1197-N1199 PolarHBondContact O-N 2.93Å; N1199-Q1201 VanDerWaalsContact C-N 3.35Å; N1199-Q1203 WeakPolarHBondContact O-CG 3.36Å; N1199-Q1203 PolarHBondContact O-N 3.24Å; N1199-Q1203 PolarHBondContact OD1-NE2 3.48Å
1200W82.5Confident70.8Confident38 Ų3871.3 Ų71.314%0.14434%0.336CS..Hα-helixtrans-70.4-27.8174.9-60.2-18.6000113.4R1196 T1197 L1198 Q1203 R1204 L1229 R1232 F1233 E1236R1196-W1200 PolarHBondContact O-N 2.81Å; T1197-W1200 PolarHBondContact O-N 2.85Å; L1198-W1200 VanDerWaalsContact C-N 3.32Å; L1198-W1200 PolarHBondContact O-N 3.41Å; W1200-Q1203 PolarHBondContact O-N 2.79Å; W1200-R1204 WeakPolarHBondContact O-CB 3.49Å; W1200-R1204 PolarHBondContact O-N 3.09Å; W1200-L1229 HydrophobicContact CB-CD2 4.23Å; W1200-L1229 HydrophobicContact CG-CD2 4.24Å; W1200-R1232 HydrophobicContact CD2-CB 4.07Å; W1200-R1232 HydrophobicContact CE3-CB 3.75Å; W1200-R1232 HydrophobicContact CH2-CB 3.96Å; W1200-R1232 HydrophobicContact CZ2-CB 4.25Å; W1200-R1232 HydrophobicContact CZ2-CG 4.49Å; W1200-R1232 HydrophobicContact CZ3-CB 3.7Å; W1200-F1233 HydrophobicContact CB-CE1 4.25Å; W1200-F1233 HydrophobicContact CB-CE2 3.78Å; W1200-F1233 HydrophobicContact CB-CZ 3.56Å; W1200-E1236 HydrophobicContact CZ3-CB 3.92Å; W1200-E1236 HydrophobicContact CZ3-CG 4.34Å
1201Q76.5Confident72.7Confident107 Ų10771.7 Ų71.750%0.532%0.324SS..Hα-helixtrans-68.2-47.9176.3-74.7-179.7-35.700109.9T1197 L1198 N1199 Q1203 R1204 E1205 F1233T1197-Q1201 PolarHBondContact O-N 2.74Å; T1197-Q1201 VanDerWaalsContact O-N 3.1Å; L1198-Q1201 WeakPolarHBondContact O-CB 3.5Å; L1198-Q1201 PolarHBondContact O-N 2.67Å; N1199-Q1201 VanDerWaalsContact C-N 3.35Å; Q1201-Q1203 VanDerWaalsContact C-N 3.33Å; Q1201-Q1203 PolarHBondContact O-N 3.31Å; Q1201-R1204 PolarHBondContact O-N 2.97Å; Q1201-E1205 WeakPolarHBondContact O-CB 3.41Å; Q1201-E1205 PolarHBondContact O-N 3.3Å; Q1201-F1233 HydrophobicContact CB-CZ 4.24Å; Q1201-F1233 HydrophobicContact CG-CE1 3.72Å; Q1201-F1233 HydrophobicContact CG-CZ 3.49Å; Q1201-F1233 VanDerWaalsContact CG-CZ 3.49Å
1202V73.9Confident74.3Confident35 Ų3574.2 Ų74.221%0.21234%0.335CS..Hα-helixtrans-57.9-44.6173.9175.30000111.1V1133 L1198 R1204 E1205 L1206V1133-V1202 HydrophobicContact CG1-CG1 3.94Å; L1198-V1202 PolarHBondContact O-N 3.15Å; V1202-R1204 PolarHBondContact O-N 2.87Å; V1202-E1205 PolarHBondContact O-N 3.43Å; V1202-L1206 HydrophobicContact CG1-CD1 3.78Å; V1202-L1206 HydrophobicContact CG1-CG 4.47Å; V1202-L1206 WeakPolarHBondContact O-CB 3.32Å; V1202-L1206 WeakPolarHBondContact O-CG 3.06Å; V1202-L1206 PolarHBondContact O-N 3.48Å
1203Q80.1Confident75.5Confident63 Ų6380.3 Ų80.329%0.29436%0.355SS..Hα-helixtrans-64.1-37.6176.5-73.2-179.6-0.100113.4N1199 W1200 Q1201 L1207 L1229N1199-Q1203 WeakPolarHBondContact O-CG 3.36Å; N1199-Q1203 PolarHBondContact O-N 3.24Å; N1199-Q1203 PolarHBondContact OD1-NE2 3.48Å; W1200-Q1203 PolarHBondContact O-N 2.79Å; Q1201-Q1203 VanDerWaalsContact C-N 3.33Å; Q1201-Q1203 PolarHBondContact O-N 3.31Å; Q1203-L1207 WeakPolarHBondContact O-CB 3.36Å; Q1203-L1207 WeakPolarHBondContact O-CD1 3.26Å; Q1203-L1207 VanDerWaalsContact O-CG 3.24Å; Q1203-L1207 WeakPolarHBondContact O-CG 3.49Å; Q1203-L1207 PolarHBondContact O-N 3.48Å; Q1203-L1229 HydrophobicContact CB-CD1 3.76Å; Q1203-L1229 HydrophobicContact CB-CD2 4.4Å
1204R86.4Confident76.5Confident82 Ų8280.2 Ų80.231%0.30936%0.355SS..Hα-helixtrans-66.6-47.5176.6-174.6-175.5-172.9-9810.2110.7W1200 Q1201 V1202 L1207 V1208 L1229 D1230W1200-R1204 WeakPolarHBondContact O-CB 3.49Å; W1200-R1204 PolarHBondContact O-N 3.09Å; Q1201-R1204 PolarHBondContact O-N 2.97Å; V1202-R1204 PolarHBondContact O-N 2.87Å; R1204-L1207 PolarHBondContact O-N 2.92Å; R1204-V1208 WeakPolarHBondContact O-CG2 3.11Å; R1204-V1208 PolarHBondContact O-N 2.99Å; R1204-L1229 HydrophobicContact CB-CD1 4.09Å; R1204-D1230 IonicContact CZ-OD1 3.16Å; R1204-D1230 IonicContact NE-OD1 2.68Å; R1204-D1230 PolarHBondContact NE-OD1 2.83Å; R1204-D1230 IonicContact NH2-OD1 2.77Å
1205E75.2Confident77.3Confident81 Ų8179.5 Ų79.538%0.37936%0.356SS..Hα-helixtrans-61.2-45.3-179.2-176.860-159.400112.4Q1201 V1202 V1208 R1209Q1201-E1205 WeakPolarHBondContact O-CB 3.41Å; Q1201-E1205 PolarHBondContact O-N 3.3Å; V1202-E1205 PolarHBondContact O-N 3.43Å; E1205-V1208 PolarHBondContact O-N 3.46Å; E1205-R1209 WeakPolarHBondContact O-CG 3.23Å; E1205-R1209 PolarHBondContact O-N 3.28Å; E1205-R1209 IonicContact OE1-CZ 3.73Å; E1205-R1209 IonicContact OE1-NE 3.84Å; E1205-R1209 PolarHBondContact OE1-NE 3.27Å; E1205-R1209 IonicContact OE1-NH2 3.79Å; E1205-R1209 PolarHBondContact OE1-NH2 3.46Å
1206L75.5Confident77.9Confident65 Ų6580 Ų8034%0.3437%0.373SS..Hα-helixtrans-68.2-35.4178-67.5171.6000112.3L1130 V1202 R1209 R1210L1130-L1206 HydrophobicContact CD1-CD1 3.56Å; V1202-L1206 HydrophobicContact CG1-CD1 3.78Å; V1202-L1206 HydrophobicContact CG1-CG 4.47Å; V1202-L1206 WeakPolarHBondContact O-CB 3.32Å; V1202-L1206 WeakPolarHBondContact O-CG 3.06Å; V1202-L1206 PolarHBondContact O-N 3.48Å; L1206-R1209 PolarHBondContact O-N 2.94Å; L1206-R1210 WeakPolarHBondContact O-CB 3.49Å; L1206-R1210 PolarHBondContact O-N 3Å
1207L86.8Confident78.2Confident23 Ų2378.9 Ų78.912%0.1238%0.379CS..Hα-helixtrans-65.5-40.6172.2-77.1168.1000112.4Q1203 R1204 R1210 R1211 I1222 K1225 I1226 L1229Q1203-L1207 WeakPolarHBondContact O-CB 3.36Å; Q1203-L1207 WeakPolarHBondContact O-CD1 3.26Å; Q1203-L1207 VanDerWaalsContact O-CG 3.24Å; Q1203-L1207 WeakPolarHBondContact O-CG 3.49Å; Q1203-L1207 PolarHBondContact O-N 3.48Å; R1204-L1207 PolarHBondContact O-N 2.92Å; L1207-R1210 PolarHBondContact O-N 2.98Å; L1207-R1211 PolarHBondContact O-N 3.13Å; L1207-I1222 HydrophobicContact CB-CG2 4.23Å; L1207-I1222 HydrophobicContact CD2-CG1 4.29Å; L1207-I1222 HydrophobicContact CD2-CG2 4.31Å; L1207-I1222 VanDerWaalsContact O-CG2 3.28Å; L1207-I1222 WeakPolarHBondContact O-CG2 3.48Å; L1207-K1225 HydrophobicContact CD1-CB 3.57Å; L1207-K1225 HydrophobicContact CD1-CD 4.33Å; L1207-K1225 HydrophobicContact CD2-CB 4.1Å; L1207-K1225 HydrophobicContact CD2-CD 3.68Å; L1207-I1226 HydrophobicContact CB-CD1 4.11Å; L1207-I1226 HydrophobicContact CB-CG1 3.73Å; L1207-I1226 HydrophobicContact CD1-CG1 4.23Å; L1207-L1229 HydrophobicContact CD1-CD1 3.72Å
1208V79.5Confident78.3Confident42 Ų4280.3 Ų80.326%0.25538%0.384SS..Hα-helixtrans-60.6-46.4173.71700000110.3R1204 E1205 R1210 R1211 H1212 I1226R1204-V1208 WeakPolarHBondContact O-CG2 3.11Å; R1204-V1208 PolarHBondContact O-N 2.99Å; E1205-V1208 PolarHBondContact O-N 3.46Å; V1208-R1210 PolarHBondContact O-N 2.84Å; V1208-R1211 WeakPolarHBondContact O-CB 3.34Å; V1208-R1211 PolarHBondContact O-N 3.44Å; V1208-R1211 VanDerWaalsContact O-N 3.15Å; V1208-H1212 PolarHBondContact O-CD2 3.42Å; V1208-I1226 HydrophobicContact CG2-CD1 3.93Å
1209R76.8Confident78.7Confident149 Ų14977.7 Ų77.756%0.56237%0.371SS*.Hα-helixtrans-61.3-44.9178.1-68.7170.7-169-176.71.3112.6E1205 L1206 R1211 H1212E1205-R1209 WeakPolarHBondContact O-CG 3.23Å; E1205-R1209 PolarHBondContact O-N 3.28Å; E1205-R1209 IonicContact OE1-CZ 3.73Å; E1205-R1209 IonicContact OE1-NE 3.84Å; E1205-R1209 PolarHBondContact OE1-NE 3.27Å; E1205-R1209 IonicContact OE1-NH2 3.79Å; E1205-R1209 PolarHBondContact OE1-NH2 3.46Å; L1206-R1209 PolarHBondContact O-N 2.94Å; R1209-R1211 VanDerWaalsContact C-N 3.27Å; R1209-R1211 PolarHBondContact O-N 3.14Å; R1209-H1212 PolarHBondContact O-N 3.02Å
1210R81.5Confident79Confident76 Ų7679.6 Ų79.629%0.28739%0.385SS..Hα-helixtrans-62.6-33.2176.1-165.7172.3173.6134.9-1.9112.2D1127 L1206 L1207 V1208 H1212 R1213 A1214 E1218 I1222D1127-R1210 IonicContact OD1-NH1 3Å; L1206-R1210 WeakPolarHBondContact O-CB 3.49Å; L1206-R1210 PolarHBondContact O-N 3Å; L1207-R1210 PolarHBondContact O-N 2.98Å; V1208-R1210 PolarHBondContact O-N 2.84Å; R1210-H1212 PolarHBondContact O-N 3.27Å; R1210-R1213 PolarHBondContact O-N 3.2Å; R1210-R1213 VanDerWaalsContact O-N 3.12Å; R1210-A1214 WeakPolarHBondContact O-CB 3.41Å; R1210-A1214 PolarHBondContact O-N 3.17Å; R1210-A1214 VanDerWaalsContact O-N 3.08Å; R1210-E1218 IonicContact CZ-OE1 3.49Å; R1210-E1218 VanDerWaalsContact CZ-OE1 3.28Å; R1210-E1218 IonicContact NE-OE1 3.99Å; R1210-E1218 PolarHBondContact NE-OE1 3.27Å; R1210-E1218 IonicContact NH2-OE1 3.95Å; R1210-E1218 PolarHBondContact NH2-OE1 2.92Å; R1210-I1222 HydrophobicContact CB-CD1 4.06Å; R1210-I1222 HydrophobicContact CG-CD1 3.87Å
1211R81.3Confident79.1Confident111 Ų11184 Ų8442%0.41941%0.405SS..Hα-helixtrans-53.6-36.2176.9-159.1-170.8-173.5-120.7-0.4113.5L1207 V1208 R1209 R1213 T1219 I1222 D1223L1207-R1211 PolarHBondContact O-N 3.13Å; V1208-R1211 WeakPolarHBondContact O-CB 3.34Å; V1208-R1211 PolarHBondContact O-N 3.44Å; V1208-R1211 VanDerWaalsContact O-N 3.15Å; R1209-R1211 VanDerWaalsContact C-N 3.27Å; R1209-R1211 PolarHBondContact O-N 3.14Å; R1211-R1213 VanDerWaalsContact C-N 3.27Å; R1211-R1213 PolarHBondContact O-N 3.28Å; R1211-T1219 HydrophobicContact CG-CG2 3.93Å; R1211-I1222 HydrophobicContact CB-CG2 3.98Å; R1211-I1222 HydrophobicContact CG-CG2 4.1Å; R1211-D1223 IonicContact CZ-OD1 3.67Å; R1211-D1223 IonicContact CZ-OD2 3.63Å; R1211-D1223 IonicContact NE-OD1 3.65Å; R1211-D1223 PolarHBondContact NE-OD1 3.34Å; R1211-D1223 IonicContact NE-OD2 3.61Å; R1211-D1223 IonicContact NH2-OD1 2.81Å; R1211-D1223 PolarHBondContact NH2-OD1 3.38Å; R1211-D1223 IonicContact NH2-OD2 3.51Å; R1211-D1223 PolarHBondContact NH2-OD2 3.45Å
1212H74.8Confident79.6Confident152 Ų15279.2 Ų79.270%0.70438%0.382SS*.THydrogen-bonded Turntrans-74.8-11.6-177.2-69-84.9000114.3V1208 R1209 R1210V1208-H1212 PolarHBondContact O-CD2 3.42Å; R1209-H1212 PolarHBondContact O-N 3.02Å; R1210-H1212 PolarHBondContact O-N 3.27Å
1213R76.3Confident80.2Confident199 Ų19979.1 Ų79.175%0.75138%0.381SS*.THydrogen-bonded Turntrans-119.6-10.1179.2-60.5177.9-177159.7-2.4113.5E1126 R1210 R1211E1126-R1213 IonicContact OE1-NH1 2.87Å; E1126-R1213 PolarHBondContact OE1-NH1 3.09Å; R1210-R1213 PolarHBondContact O-N 3.2Å; R1210-R1213 VanDerWaalsContact O-N 3.12Å; R1211-R1213 VanDerWaalsContact C-N 3.27Å; R1211-R1213 PolarHBondContact O-N 3.28Å
1214A76.5Confident80.5Confident18 Ų1884 Ų8415%0.14940%0.396CS..SBendtrans-72.7147.6-174.200000113.1R1210 E1218 T1219 I1222R1210-A1214 WeakPolarHBondContact O-CB 3.41Å; R1210-A1214 PolarHBondContact O-N 3.17Å; R1210-A1214 VanDerWaalsContact O-N 3.08Å; A1214-E1218 HydrophobicContact CB-CB 3.98Å; A1214-E1218 HydrophobicContact CB-CG 3.89Å; A1214-T1219 WeakPolarHBondContact CB-OG1 3.4Å; A1214-T1219 PolarHBondContact O-OG1 3.44Å; A1214-I1222 HydrophobicContact CB-CD1 3.64Å
1215S80.1Confident80.6Confident65 Ų6584.2 Ų84.246%0.45540%0.4SS..  trans-62.2154.3168.666.70000111V1217 E1218 T1219S1215-V1217 PolarHBondContact O-N 3.44Å; S1215-E1218 CarbonylContact O-C 3.37Å; S1215-E1218 WeakPolarHBondContact O-CA 3.34Å; S1215-E1218 PolarHBondContact O-N 2.98Å; S1215-E1218 WeakPolarHBondContact OG-CB 3.45Å; S1215-E1218 PolarHBondContact OG-N 3.25Å; S1215-T1219 PolarHBondContact O-N 3.48Å; S1215-T1219 PolarHBondContact O-OG1 3.25Å
1216P79.7Confident81.2Confident109 Ų10981.3 Ų81.371%0.70839%0.386SS*.Hα-helixtrans-54-33.4-178.2-28.935.9000114.8T1220P1216-T1220 WeakPolarHBondContact O-CB 3.16Å; P1216-T1220 PolarHBondContact O-N 3.06Å; P1216-T1220 VanDerWaalsContact O-N 3.08Å; P1216-T1220 PolarHBondContact O-OG1 2.89Å
1217V78.6Confident81.7Confident98 Ų9886 Ų8659%0.59440%0.4SS*.Hα-helixtrans-68.6-40.2174.7179.60000111.6S1215 K1221S1215-V1217 PolarHBondContact O-N 3.44Å; V1217-K1221 WeakPolarHBondContact O-CG 3.47Å; V1217-K1221 PolarHBondContact O-N 3.09Å
1218E76.9Confident81.7Confident55 Ų5593.2 Ų93.226%0.25743%0.425SS..Hα-helixtrans-74.9-40.5176.7-176179.7-164.100112R1210 A1214 S1215 T1220 K1221 I1222R1210-E1218 IonicContact CZ-OE1 3.49Å; R1210-E1218 VanDerWaalsContact CZ-OE1 3.28Å; R1210-E1218 IonicContact NE-OE1 3.99Å; R1210-E1218 PolarHBondContact NE-OE1 3.27Å; R1210-E1218 IonicContact NH2-OE1 3.95Å; R1210-E1218 PolarHBondContact NH2-OE1 2.92Å; A1214-E1218 HydrophobicContact CB-CB 3.98Å; A1214-E1218 HydrophobicContact CB-CG 3.89Å; S1215-E1218 CarbonylContact O-C 3.37Å; S1215-E1218 WeakPolarHBondContact O-CA 3.34Å; S1215-E1218 PolarHBondContact O-N 2.98Å; S1215-E1218 WeakPolarHBondContact OG-CB 3.45Å; S1215-E1218 PolarHBondContact OG-N 3.25Å; E1218-T1220 PolarHBondContact O-N 3.18Å; E1218-K1221 CarbonylContact O-C 3.5Å; E1218-K1221 WeakPolarHBondContact O-CA 3.21Å; E1218-K1221 WeakPolarHBondContact O-CB 3.36Å; E1218-K1221 PolarHBondContact O-N 3.47Å; E1218-I1222 HydrophobicContact CG-CD1 3.97Å; E1218-I1222 HydrophobicContact CG-CG1 4.36Å; E1218-I1222 WeakPolarHBondContact O-CG1 3.48Å; E1218-I1222 PolarHBondContact O-N 2.83Å
1219T78.6Confident82Confident31 Ų3191.6 Ų91.619%0.1942%0.415CS..Hα-helixtrans-53.2-42.3170-59.70000111R1211 A1214 S1215 K1221 I1222 D1223R1211-T1219 HydrophobicContact CG-CG2 3.93Å; A1214-T1219 WeakPolarHBondContact CB-OG1 3.4Å; A1214-T1219 PolarHBondContact O-OG1 3.44Å; S1215-T1219 PolarHBondContact O-N 3.48Å; S1215-T1219 PolarHBondContact O-OG1 3.25Å; T1219-K1221 VanDerWaalsContact C-N 3.33Å; T1219-K1221 PolarHBondContact O-N 3.13Å; T1219-I1222 PolarHBondContact O-N 2.89Å; T1219-D1223 PolarHBondContact O-N 3.24Å
1220T82.5Confident82.4Confident73 Ų7385.9 Ų85.945%0.44840%0.396SS..Hα-helixtrans-64.4-33.4174.1-56.40000112.9P1216 E1218 R1224P1216-T1220 WeakPolarHBondContact O-CB 3.16Å; P1216-T1220 PolarHBondContact O-N 3.06Å; P1216-T1220 VanDerWaalsContact O-N 3.08Å; P1216-T1220 PolarHBondContact O-OG1 2.89Å; E1218-T1220 PolarHBondContact O-N 3.18Å; T1220-R1224 WeakPolarHBondContact O-CG 3.45Å; T1220-R1224 PolarHBondContact O-N 3Å
1221K83.9Confident82.5Confident130 Ų13087.1 Ų87.157%0.56541%0.405SS*.Hα-helixtrans-73.7-37.5173.5-67.3170.3-177.6176.80111.6V1217 E1218 T1219 R1224 K1225V1217-K1221 WeakPolarHBondContact O-CG 3.47Å; V1217-K1221 PolarHBondContact O-N 3.09Å; E1218-K1221 CarbonylContact O-C 3.5Å; E1218-K1221 WeakPolarHBondContact O-CA 3.21Å; E1218-K1221 WeakPolarHBondContact O-CB 3.36Å; E1218-K1221 PolarHBondContact O-N 3.47Å; T1219-K1221 VanDerWaalsContact C-N 3.33Å; T1219-K1221 PolarHBondContact O-N 3.13Å; K1221-R1224 PolarHBondContact O-N 3.46Å; K1221-K1225 PolarHBondContact O-N 3.2Å; K1221-K1225 VanDerWaalsContact O-N 3.16Å
1222I85.9Confident82.6Confident6 Ų687.3 Ų87.33%0.03141%0.406CS..Hα-helixtrans-64.9-48.2176.9-72.8169.1000110.4L1207 R1210 R1211 A1214 E1218 T1219 R1224 K1225 I1226L1207-I1222 HydrophobicContact CB-CG2 4.23Å; L1207-I1222 HydrophobicContact CD2-CG1 4.29Å; L1207-I1222 HydrophobicContact CD2-CG2 4.31Å; L1207-I1222 VanDerWaalsContact O-CG2 3.28Å; L1207-I1222 WeakPolarHBondContact O-CG2 3.48Å; R1210-I1222 HydrophobicContact CB-CD1 4.06Å; R1210-I1222 HydrophobicContact CG-CD1 3.87Å; R1211-I1222 HydrophobicContact CB-CG2 3.98Å; R1211-I1222 HydrophobicContact CG-CG2 4.1Å; A1214-I1222 HydrophobicContact CB-CD1 3.64Å; E1218-I1222 HydrophobicContact CG-CD1 3.97Å; E1218-I1222 HydrophobicContact CG-CG1 4.36Å; E1218-I1222 WeakPolarHBondContact O-CG1 3.48Å; E1218-I1222 PolarHBondContact O-N 2.83Å; T1219-I1222 PolarHBondContact O-N 2.89Å; I1222-R1224 VanDerWaalsContact C-N 3.25Å; I1222-R1224 PolarHBondContact O-N 3.38Å; I1222-K1225 CarbonylContact O-C 3.53Å; I1222-K1225 WeakPolarHBondContact O-CA 3.3Å; I1222-K1225 WeakPolarHBondContact O-CB 3.49Å; I1222-K1225 PolarHBondContact O-N 2.99Å; I1222-I1226 HydrophobicContact CG2-CD1 3.73Å; I1222-I1226 HydrophobicContact CG2-CG1 4.29Å; I1222-I1226 PolarHBondContact O-N 3.28Å
1223D86.5Confident82.8Confident33 Ų3381.7 Ų81.718%0.17638%0.379CS..Hα-helixtrans-60.9-34.9178.3-76.514.6000112R1211 T1219 R1227R1211-D1223 IonicContact CZ-OD1 3.67Å; R1211-D1223 IonicContact CZ-OD2 3.63Å; R1211-D1223 IonicContact NE-OD1 3.65Å; R1211-D1223 PolarHBondContact NE-OD1 3.34Å; R1211-D1223 IonicContact NE-OD2 3.61Å; R1211-D1223 IonicContact NH2-OD1 2.81Å; R1211-D1223 PolarHBondContact NH2-OD1 3.38Å; R1211-D1223 IonicContact NH2-OD2 3.51Å; R1211-D1223 PolarHBondContact NH2-OD2 3.45Å; T1219-D1223 PolarHBondContact O-N 3.24Å; D1223-R1227 WeakPolarHBondContact O-CB 2.99Å; D1223-R1227 VanDerWaalsContact O-CG 3.25Å; D1223-R1227 WeakPolarHBondContact O-CG 3.41Å; D1223-R1227 PolarHBondContact O-N 3.33Å
1224R88.3Confident82.9Confident165 Ų16580.2 Ų80.262%0.62337%0.374SS*.Hα-helixtrans-66.5-33.8170.9-69.5175.3-168.4-171.95112.7T1220 K1221 I1222 R1228T1220-R1224 WeakPolarHBondContact O-CG 3.45Å; T1220-R1224 PolarHBondContact O-N 3Å; K1221-R1224 PolarHBondContact O-N 3.46Å; I1222-R1224 VanDerWaalsContact C-N 3.25Å; I1222-R1224 PolarHBondContact O-N 3.38Å; R1224-R1228 WeakPolarHBondContact O-CD 3.37Å; R1224-R1228 VanDerWaalsContact O-CG 3.25Å; R1224-R1228 WeakPolarHBondContact O-CG 3.18Å; R1224-R1228 PolarHBondContact O-N 2.89Å
1225K86.9Confident82.9Confident88 Ų8887.3 Ų87.338%0.38340%0.396SS..Hα-helixtrans-71.9-45.1174.1-71.8-178.3175.5-178.70111.3L1207 K1221 I1222 R1228 L1229L1207-K1225 HydrophobicContact CD1-CB 3.57Å; L1207-K1225 HydrophobicContact CD1-CD 4.33Å; L1207-K1225 HydrophobicContact CD2-CB 4.1Å; L1207-K1225 HydrophobicContact CD2-CD 3.68Å; K1221-K1225 PolarHBondContact O-N 3.2Å; K1221-K1225 VanDerWaalsContact O-N 3.16Å; I1222-K1225 CarbonylContact O-C 3.53Å; I1222-K1225 WeakPolarHBondContact O-CA 3.3Å; I1222-K1225 WeakPolarHBondContact O-CB 3.49Å; I1222-K1225 PolarHBondContact O-N 2.99Å; K1225-R1228 WeakPolarHBondContact O-CB 2.98Å; K1225-R1228 PolarHBondContact O-N 2.98Å; K1225-R1228 VanDerWaalsContact O-N 3.15Å; K1225-L1229 PolarHBondContact O-N 2.79Å; K1225-L1229 VanDerWaalsContact O-N 3.08Å
1226I88.1Confident82.6Confident19 Ų1984.8 Ų84.810%0.09738%0.377CS..Hα-helixtrans-58.6-53177.8-66.3171000110.3L1207 V1208 I1222 R1228 L1229 D1230L1207-I1226 HydrophobicContact CB-CD1 4.11Å; L1207-I1226 HydrophobicContact CB-CG1 3.73Å; L1207-I1226 HydrophobicContact CD1-CG1 4.23Å; V1208-I1226 HydrophobicContact CG2-CD1 3.93Å; I1222-I1226 HydrophobicContact CG2-CD1 3.73Å; I1222-I1226 HydrophobicContact CG2-CG1 4.29Å; I1222-I1226 PolarHBondContact O-N 3.28Å; I1226-R1228 PolarHBondContact O-N 2.9Å; I1226-R1228 VanDerWaalsContact O-N 3.08Å; I1226-L1229 WeakPolarHBondContact O-CA 3.42Å; I1226-L1229 WeakPolarHBondContact O-CB 3.44Å; I1226-L1229 PolarHBondContact O-N 2.78Å; I1226-D1230 WeakPolarHBondContact CG2-OD2 3.3Å; I1226-D1230 PolarHBondContact O-N 3.43Å
1227R86.8Confident82.3Confident165 Ų16581.9 Ų81.962%0.62336%0.359SS*.Hα-helixtrans-56.1-31.4176.8-68.6175.4-162.2-152.95.5113.4D1223 Q1231D1223-R1227 WeakPolarHBondContact O-CB 2.99Å; D1223-R1227 VanDerWaalsContact O-CG 3.25Å; D1223-R1227 WeakPolarHBondContact O-CG 3.41Å; D1223-R1227 PolarHBondContact O-N 3.33Å; R1227-Q1231 WeakPolarHBondContact O-CB 3.38Å; R1227-Q1231 VanDerWaalsContact O-CG 3.27Å; R1227-Q1231 WeakPolarHBondContact O-CG 3.45Å; R1227-Q1231 PolarHBondContact O-N 2.88Å; R1227-Q1231 VanDerWaalsContact O-N 3.14Å
1228R85.8Confident82Confident174 Ų17486.3 Ų86.366%0.65737%0.365SS*.Hα-helixtrans-74.2-30.9175-76.1171.8176-175.1-0.6112.8R1224 K1225 I1226 R1232R1224-R1228 WeakPolarHBondContact O-CD 3.37Å; R1224-R1228 VanDerWaalsContact O-CG 3.25Å; R1224-R1228 WeakPolarHBondContact O-CG 3.18Å; R1224-R1228 PolarHBondContact O-N 2.89Å; K1225-R1228 WeakPolarHBondContact O-CB 2.98Å; K1225-R1228 PolarHBondContact O-N 2.98Å; K1225-R1228 VanDerWaalsContact O-N 3.15Å; I1226-R1228 PolarHBondContact O-N 2.9Å; I1226-R1228 VanDerWaalsContact O-N 3.08Å; R1228-R1232 WeakPolarHBondContact O-CG 3.37Å; R1228-R1232 PolarHBondContact O-N 3.5Å
1229L86.9Confident81.6Confident8 Ų890 Ų904%0.04238%0.377CS..Hα-helixtrans-73.4-44.9171.7-68.6173.5000111.3W1200 Q1203 R1204 L1207 K1225 I1226 Q1231 R1232 F1233W1200-L1229 HydrophobicContact CB-CD2 4.23Å; W1200-L1229 HydrophobicContact CG-CD2 4.24Å; Q1203-L1229 HydrophobicContact CB-CD1 3.76Å; Q1203-L1229 HydrophobicContact CB-CD2 4.4Å; R1204-L1229 HydrophobicContact CB-CD1 4.09Å; L1207-L1229 HydrophobicContact CD1-CD1 3.72Å; K1225-L1229 PolarHBondContact O-N 2.79Å; K1225-L1229 VanDerWaalsContact O-N 3.08Å; I1226-L1229 WeakPolarHBondContact O-CA 3.42Å; I1226-L1229 WeakPolarHBondContact O-CB 3.44Å; I1226-L1229 PolarHBondContact O-N 2.78Å; L1229-Q1231 VanDerWaalsContact C-N 3.25Å; L1229-Q1231 PolarHBondContact O-N 3.06Å; L1229-R1232 WeakPolarHBondContact O-CA 3.25Å; L1229-R1232 WeakPolarHBondContact O-CB 3.44Å; L1229-R1232 PolarHBondContact O-N 3.49Å; L1229-F1233 VanDerWaalsContact O-CD2 3.29Å; L1229-F1233 WeakPolarHBondContact O-CD2 3.46Å; L1229-F1233 PolarHBondContact O-N 2.89Å
1230D84.3Confident81.1Confident29 Ų2992.5 Ų92.516%0.15538%0.383CS..Hα-helixtrans-59.7-37.8176.6-56.1-40.8000111.5R1204 I1226 R1232 F1233 R1234R1204-D1230 IonicContact CZ-OD1 3.16Å; R1204-D1230 IonicContact NE-OD1 2.68Å; R1204-D1230 PolarHBondContact NE-OD1 2.83Å; R1204-D1230 IonicContact NH2-OD1 2.77Å; I1226-D1230 WeakPolarHBondContact CG2-OD2 3.3Å; I1226-D1230 PolarHBondContact O-N 3.43Å; D1230-R1232 VanDerWaalsContact C-N 3.29Å; D1230-R1232 PolarHBondContact O-N 3.09Å; D1230-F1233 PolarHBondContact O-N 2.83Å; D1230-R1234 WeakPolarHBondContact O-CG 3.4Å; D1230-R1234 PolarHBondContact O-N 2.85Å
1231Q84.1Confident80.2Confident101 Ų10196 Ų9647%0.47239%0.388SS..Hα-helixtrans-64-27.9171.1-77.7-179.214.200114R1227 L1229 R1235R1227-Q1231 WeakPolarHBondContact O-CB 3.38Å; R1227-Q1231 VanDerWaalsContact O-CG 3.27Å; R1227-Q1231 WeakPolarHBondContact O-CG 3.45Å; R1227-Q1231 PolarHBondContact O-N 2.88Å; R1227-Q1231 VanDerWaalsContact O-N 3.14Å; L1229-Q1231 VanDerWaalsContact C-N 3.25Å; L1229-Q1231 PolarHBondContact O-N 3.06Å; Q1231-R1235 VanDerWaalsContact O-CD 3.32Å; Q1231-R1235 WeakPolarHBondContact O-CD 3.49Å; Q1231-R1235 WeakPolarHBondContact O-CG 3.4Å; Q1231-R1235 PolarHBondContact O-N 3.13Å
1232R83.6Confident79.4Confident116 Ų11693 Ų9344%0.43838%0.384SS..Hα-helixtrans-76-45172.5-70.8173.9177.9179.8-1111W1200 R1228 L1229 D1230 R1234 R1235 E1236W1200-R1232 HydrophobicContact CD2-CB 4.07Å; W1200-R1232 HydrophobicContact CE3-CB 3.75Å; W1200-R1232 HydrophobicContact CH2-CB 3.96Å; W1200-R1232 HydrophobicContact CZ2-CB 4.25Å; W1200-R1232 HydrophobicContact CZ2-CG 4.49Å; W1200-R1232 HydrophobicContact CZ3-CB 3.7Å; R1228-R1232 WeakPolarHBondContact O-CG 3.37Å; R1228-R1232 PolarHBondContact O-N 3.5Å; L1229-R1232 WeakPolarHBondContact O-CA 3.25Å; L1229-R1232 WeakPolarHBondContact O-CB 3.44Å; L1229-R1232 PolarHBondContact O-N 3.49Å; D1230-R1232 VanDerWaalsContact C-N 3.29Å; D1230-R1232 PolarHBondContact O-N 3.09Å; R1232-R1234 PolarHBondContact O-N 2.97Å; R1232-R1235 WeakPolarHBondContact O-CB 3.33Å; R1232-R1235 PolarHBondContact O-N 3.29Å; R1232-R1235 VanDerWaalsContact O-N 3.08Å; R1232-E1236 PolarHBondContact O-N 3.29Å
1233F79Confident78.1Confident33 Ų3394.6 Ų94.615%0.14540%0.395CS..Hα-helixtrans-53.3-53.7172.9-79.7-68.9000111.9T1197 W1200 Q1201 L1229 D1230 R1235 E1236 S1237T1197-F1233 HydrophobicContact CG2-CD1 4.37Å; T1197-F1233 HydrophobicContact CG2-CE1 3.9Å; W1200-F1233 HydrophobicContact CB-CE1 4.25Å; W1200-F1233 HydrophobicContact CB-CE2 3.78Å; W1200-F1233 HydrophobicContact CB-CZ 3.56Å; Q1201-F1233 HydrophobicContact CB-CZ 4.24Å; Q1201-F1233 HydrophobicContact CG-CE1 3.72Å; Q1201-F1233 HydrophobicContact CG-CZ 3.49Å; Q1201-F1233 VanDerWaalsContact CG-CZ 3.49Å; L1229-F1233 VanDerWaalsContact O-CD2 3.29Å; L1229-F1233 WeakPolarHBondContact O-CD2 3.46Å; L1229-F1233 PolarHBondContact O-N 2.89Å; D1230-F1233 PolarHBondContact O-N 2.83Å; F1233-R1235 PolarHBondContact O-N 3.13Å; F1233-R1235 VanDerWaalsContact O-N 3.1Å; F1233-E1236 PolarHBondContact O-N 3.08Å; F1233-S1237 WeakPolarHBondContact O-CB 3.43Å; F1233-S1237 PolarHBondContact O-N 2.82Å; F1233-S1237 PolarHBondContact O-OG 3.29Å
1234R77.1Confident76.4Confident169 Ų16997.3 Ų97.364%0.63841%0.409SS*.Hα-helixtrans-59.7-25.4178.9-66.9174.5-165.2166.65.2113.6D1230 R1232 R1238D1230-R1234 WeakPolarHBondContact O-CG 3.4Å; D1230-R1234 PolarHBondContact O-N 2.85Å; R1232-R1234 PolarHBondContact O-N 2.97Å; R1234-R1238 WeakPolarHBondContact O-CD 3.35Å; R1234-R1238 WeakPolarHBondContact O-CG 3.36Å; R1234-R1238 PolarHBondContact O-N 3.06Å
1235R78.1Confident75Confident167 Ų16794.4 Ų94.463%0.6341%0.406SS*.Hα-helixtrans-79.3-40.7174.5-73.1169.6-173.8-175.13.4111.9Q1231 R1232 F1233 R1238 R1239Q1231-R1235 VanDerWaalsContact O-CD 3.32Å; Q1231-R1235 WeakPolarHBondContact O-CD 3.49Å; Q1231-R1235 WeakPolarHBondContact O-CG 3.4Å; Q1231-R1235 PolarHBondContact O-N 3.13Å; R1232-R1235 WeakPolarHBondContact O-CB 3.33Å; R1232-R1235 PolarHBondContact O-N 3.29Å; R1232-R1235 VanDerWaalsContact O-N 3.08Å; F1233-R1235 PolarHBondContact O-N 3.13Å; F1233-R1235 VanDerWaalsContact O-N 3.1Å; R1235-R1238 PolarHBondContact O-N 2.9Å; R1235-R1239 PolarHBondContact O-N 2.96Å; R1235-R1239 VanDerWaalsContact O-N 3.14Å
1236E73.9Confident73.5Confident12 Ų1295.1 Ų95.16%0.05641%0.414CS..Hα-helixtrans-77.3-36.6-179.6-15269.4-173.700112C1193 W1200 R1232 F1233 R1238 R1239 R1240C1193-E1236 PolarHBondContact SG-OE1 3.17Å; W1200-E1236 HydrophobicContact CZ3-CB 3.92Å; W1200-E1236 HydrophobicContact CZ3-CG 4.34Å; R1232-E1236 PolarHBondContact O-N 3.29Å; F1233-E1236 PolarHBondContact O-N 3.08Å; E1236-R1238 PolarHBondContact O-N 3.02Å; E1236-R1239 CarbonylContact O-C 3.35Å; E1236-R1239 WeakPolarHBondContact O-CA 3.38Å; E1236-R1239 WeakPolarHBondContact O-CB 3.23Å; E1236-R1239 PolarHBondContact O-N 2.85Å; E1236-R1239 IonicContact OE1-NH1 3.51Å; E1236-R1239 WeakPolarHBondContact OE2-CD 3.27Å; E1236-R1239 IonicContact OE2-CZ 3.44Å; E1236-R1239 IonicContact OE2-NE 3.34Å; E1236-R1239 IonicContact OE2-NH1 3.48Å; E1236-R1239 PolarHBondContact OE2-NH1 3.18Å; E1236-R1240 PolarHBondContact O-N 3.44Å
1237S72.5Confident72Confident47 Ų4798.9 Ų98.933%0.32943%0.433SS..Hα-helixtrans-69.9-11.8170.8-52.20000113.8F1233 R1241F1233-S1237 WeakPolarHBondContact O-CB 3.43Å; F1233-S1237 PolarHBondContact O-N 2.82Å; F1233-S1237 PolarHBondContact O-OG 3.29Å; S1237-R1241 PolarHBondContact O-NE 2.99Å
1238R71.5Confident70.2Confident191 Ų19197.2 Ų97.272%0.72143%0.43SS*.Hα-helixtrans-84.4-35.5164.1-78.3174.8-174.3-160.80.9111.7R1234 R1235 E1236 S1242R1234-R1238 WeakPolarHBondContact O-CD 3.35Å; R1234-R1238 WeakPolarHBondContact O-CG 3.36Å; R1234-R1238 PolarHBondContact O-N 3.06Å; R1235-R1238 PolarHBondContact O-N 2.9Å; E1236-R1238 PolarHBondContact O-N 3.02Å; R1238-S1242 VanDerWaalsContact O-CB 3.24Å; R1238-S1242 WeakPolarHBondContact O-CB 3.47Å; R1238-S1242 PolarHBondContact O-N 2.99Å
1239R69.7Low68.5Low132 Ų13295.4 Ų95.450%0.49843%0.429SS..Hα-helixtrans-67.5-41.4173.7-77.8166.4159.2174.1-8112.9R1235 E1236 S1242 C1243R1235-R1239 PolarHBondContact O-N 2.96Å; R1235-R1239 VanDerWaalsContact O-N 3.14Å; E1236-R1239 CarbonylContact O-C 3.35Å; E1236-R1239 WeakPolarHBondContact O-CA 3.38Å; E1236-R1239 WeakPolarHBondContact O-CB 3.23Å; E1236-R1239 PolarHBondContact O-N 2.85Å; E1236-R1239 IonicContact OE1-NH1 3.51Å; E1236-R1239 WeakPolarHBondContact OE2-CD 3.27Å; E1236-R1239 IonicContact OE2-CZ 3.44Å; E1236-R1239 IonicContact OE2-NE 3.34Å; E1236-R1239 IonicContact OE2-NH1 3.48Å; E1236-R1239 PolarHBondContact OE2-NH1 3.18Å; R1239-S1242 PolarHBondContact O-N 3.39Å; R1239-C1243 PolarHBondContact O-N 2.9Å
1240R66.7Low66.9Low84 Ų8498 Ų9832%0.31745%0.448SS..Hα-helixtrans-59-60.6175.7-70.9-168.9-174.1-135.40.8110.7C1193 D1194 T1197 E1236 S1242 C1243 D1244C1193-R1240 PolarHBondContact O-NH2 2.79Å; D1194-R1240 IonicContact OD1-CZ 2.76Å; D1194-R1240 IonicContact OD1-NH1 2.84Å; D1194-R1240 PolarHBondContact OD1-NH1 3.23Å; D1194-R1240 IonicContact OD1-NH2 3.63Å; D1194-R1240 PolarHBondContact OD1-NH2 3.47Å; T1197-R1240 PolarHBondContact OG1-NH2 3.04Å; T1197-R1240 VanDerWaalsContact OG1-NH2 3.11Å; E1236-R1240 PolarHBondContact O-N 3.44Å; R1240-S1242 VanDerWaalsContact C-N 3.3Å; R1240-S1242 PolarHBondContact O-N 2.9Å; R1240-C1243 CarbonylContact O-C 3.53Å; R1240-C1243 WeakPolarHBondContact O-CA 3.15Å; R1240-C1243 WeakPolarHBondContact O-CB 3.45Å; R1240-C1243 PolarHBondContact O-N 3.13Å; R1240-D1244 PolarHBondContact O-N 3.17Å
1241R64.4Low65.1Low147 Ų147101.8 Ų101.856%0.55547%0.466SS*.Hα-helixtrans-47.8-49.5173.5-78.8180-87.2-148.2-5.3112.5S1237 C1243 D1244 D1245S1237-R1241 PolarHBondContact O-NE 2.99Å; R1241-C1243 PolarHBondContact O-N 3.15Å; R1241-C1243 VanDerWaalsContact O-N 3.16Å; R1241-D1244 PolarHBondContact O-N 3.15Å; R1241-D1244 VanDerWaalsContact O-N 3.12Å; R1241-D1245 WeakPolarHBondContact O-CB 3.5Å; R1241-D1245 PolarHBondContact O-N 2.88Å; R1241-D1245 VanDerWaalsContact O-OD2 3.05Å
1242S67.1Low63.5Low68 Ų68103.8 Ų103.848%0.47647%0.473SS..Hα-helixtrans-65.1-16.5176.8-175.50000115.9R1238 R1239 R1240 L1246R1238-S1242 VanDerWaalsContact O-CB 3.24Å; R1238-S1242 WeakPolarHBondContact O-CB 3.47Å; R1238-S1242 PolarHBondContact O-N 2.99Å; R1239-S1242 PolarHBondContact O-N 3.39Å; R1240-S1242 VanDerWaalsContact C-N 3.3Å; R1240-S1242 PolarHBondContact O-N 2.9Å; S1242-L1246 VanDerWaalsContact O-CD1 3.25Å; S1242-L1246 WeakPolarHBondContact O-CD1 3.19Å; S1242-L1246 VanDerWaalsContact O-CG 3.3Å; S1242-L1246 WeakPolarHBondContact O-CG 3.21Å
1243C58.6Low61.7Low39 Ų39101.5 Ų101.526%0.26448%0.475SS..Hα-helixtrans-89.7-41.8168.3-85.70000111.4R1239 R1240 R1241 L1246 I1247R1239-C1243 PolarHBondContact O-N 2.9Å; R1240-C1243 CarbonylContact O-C 3.53Å; R1240-C1243 WeakPolarHBondContact O-CA 3.15Å; R1240-C1243 WeakPolarHBondContact O-CB 3.45Å; R1240-C1243 PolarHBondContact O-N 3.13Å; R1241-C1243 PolarHBondContact O-N 3.15Å; R1241-C1243 VanDerWaalsContact O-N 3.16Å; C1243-L1246 PolarHBondContact O-N 3.45Å; C1243-I1247 WeakPolarHBondContact O-CG1 3.18Å; C1243-I1247 PolarHBondContact O-N 2.97Å
1244D51.1Low60Low90 Ų90105.1 Ų105.148%0.48150%0.495SS..Hα-helixtrans-64.2-41.7-179.4-56.4-37.4000110.5R1240 R1241 L1246 I1247 F1248R1240-D1244 PolarHBondContact O-N 3.17Å; R1241-D1244 PolarHBondContact O-N 3.15Å; R1241-D1244 VanDerWaalsContact O-N 3.12Å; D1244-L1246 PolarHBondContact O-N 3.17Å; D1244-I1247 PolarHBondContact O-N 2.81Å; D1244-F1248 WeakPolarHBondContact O-CB 3.1Å; D1244-F1248 PolarHBondContact O-N 2.87Å
1245D59.6Low58.4Low103 Ų103102.5 Ų102.555%0.55149%0.494SS*.Hα-helixtrans-55.7-47171-66.5-32000111.3R1241 F1248 E1249R1241-D1245 WeakPolarHBondContact O-CB 3.5Å; R1241-D1245 PolarHBondContact O-N 2.88Å; R1241-D1245 VanDerWaalsContact O-OD2 3.05Å; D1245-F1248 PolarHBondContact O-N 3.5Å; D1245-E1249 PolarHBondContact O-N 3.03Å
1246L53.6Low56.7Low104 Ų10498.3 Ų98.355%0.54549%0.49SS..Hα-helixtrans-69.2-33.2179.7-72.2174.2000112.7S1242 C1243 D1244 S1250S1242-L1246 VanDerWaalsContact O-CD1 3.25Å; S1242-L1246 WeakPolarHBondContact O-CD1 3.19Å; S1242-L1246 VanDerWaalsContact O-CG 3.3Å; S1242-L1246 WeakPolarHBondContact O-CG 3.21Å; C1243-L1246 PolarHBondContact O-N 3.45Å; D1244-L1246 PolarHBondContact O-N 3.17Å; L1246-S1250 VanDerWaalsContact O-CB 3.27Å; L1246-S1250 WeakPolarHBondContact O-CB 3.44Å; L1246-S1250 PolarHBondContact O-N 3.33Å; L1246-S1250 VanDerWaalsContact O-N 3.14Å
1247I56.9Low55.3Low98 Ų98104.1 Ų104.150%0.50352%0.521SS..Hα-helixtrans-70.3-41.3173.5-69.7166.7000109.7C1243 D1244 S1250 M1251C1243-I1247 WeakPolarHBondContact O-CG1 3.18Å; C1243-I1247 PolarHBondContact O-N 2.97Å; D1244-I1247 PolarHBondContact O-N 2.81Å; I1247-S1250 WeakPolarHBondContact O-CB 3.45Å; I1247-S1250 PolarHBondContact O-N 3.48Å; I1247-M1251 HydrophobicContact CG2-CG 4.45Å; I1247-M1251 HydrophobicContact CG2-SD 4.14Å; I1247-M1251 WeakPolarHBondContact O-CG 3.39Å; I1247-M1251 PolarHBondContact O-N 3Å
1248F48.6Very low53.8Low130 Ų130108.9 Ų108.957%0.5754%0.543SS*.Hα-helixtrans-69.9-40.6-179.7-165.1-102.3000112.7D1244 D1245 S1250 M1251 K1252D1244-F1248 WeakPolarHBondContact O-CB 3.1Å; D1244-F1248 PolarHBondContact O-N 2.87Å; D1245-F1248 PolarHBondContact O-N 3.5Å; F1248-S1250 VanDerWaalsContact C-N 3.33Å; F1248-S1250 PolarHBondContact O-N 3.09Å; F1248-M1251 PolarHBondContact O-N 2.91Å; F1248-K1252 HydrophobicContact CD1-CD 4.47Å; F1248-K1252 HydrophobicContact CE1-CD 4.09Å; F1248-K1252 HydrophobicContact CE1-CG 4.44Å; F1248-K1252 WeakPolarHBondContact O-CB 3.43Å; F1248-K1252 PolarHBondContact O-N 2.81Å
1249E51.7Low51.9Low136 Ų136106.4 Ų106.464%0.63654%0.544SS*.Hα-helixtrans-58.8-44.5168.5-76.5-165.9134.600111.2D1245 K1252 S1253D1245-E1249 PolarHBondContact O-N 3.03Å; E1249-K1252 PolarHBondContact O-N 3.31Å; E1249-S1253 PolarHBondContact O-N 3.11Å
1250S52.2Low50.3Low63 Ų63107.4 Ų107.444%0.44156%0.559SS.*Hα-helixtrans-62.7-44.7178.1-165.10000112L1246 I1247 F1248 S1253 I1254L1246-S1250 VanDerWaalsContact O-CB 3.27Å; L1246-S1250 WeakPolarHBondContact O-CB 3.44Å; L1246-S1250 PolarHBondContact O-N 3.33Å; L1246-S1250 VanDerWaalsContact O-N 3.14Å; I1247-S1250 WeakPolarHBondContact O-CB 3.45Å; I1247-S1250 PolarHBondContact O-N 3.48Å; F1248-S1250 VanDerWaalsContact C-N 3.33Å; F1248-S1250 PolarHBondContact O-N 3.09Å; S1250-S1253 PolarHBondContact O-N 2.92Å; S1250-S1253 PolarHBondContact O-OG 3.37Å; S1250-I1254 WeakPolarHBondContact O-CG1 3.32Å; S1250-I1254 PolarHBondContact O-N 2.71Å; S1250-I1254 VanDerWaalsContact O-N 3.16Å
1251M47.8Very low48.7Very low107 Ų107112.1 Ų112.153%0.52758%0.583SS.*Hα-helixtrans-67.5-36.7176.4-70.3-17676.100112.8I1247 F1248 S1253 I1254 N1255I1247-M1251 HydrophobicContact CG2-CG 4.45Å; I1247-M1251 HydrophobicContact CG2-SD 4.14Å; I1247-M1251 WeakPolarHBondContact O-CG 3.39Å; I1247-M1251 PolarHBondContact O-N 3Å; F1248-M1251 PolarHBondContact O-N 2.91Å; M1251-S1253 VanDerWaalsContact C-N 3.28Å; M1251-S1253 PolarHBondContact O-N 2.92Å; M1251-I1254 PolarHBondContact O-N 2.79Å; M1251-I1254 VanDerWaalsContact O-N 3.16Å; M1251-N1255 PolarHBondContact O-N 2.81Å; M1251-N1255 VanDerWaalsContact O-N 3.07Å
1252K49.7Very low47.1Very low143 Ų143113.5 Ų113.562%0.62259%0.593SS**Hα-helixtrans-59.8-38.5170-92.5-171.8170.3-176.90112.1F1248 E1249 I1254 S1256F1248-K1252 HydrophobicContact CD1-CD 4.47Å; F1248-K1252 HydrophobicContact CE1-CD 4.09Å; F1248-K1252 HydrophobicContact CE1-CG 4.44Å; F1248-K1252 WeakPolarHBondContact O-CB 3.43Å; F1248-K1252 PolarHBondContact O-N 2.81Å; E1249-K1252 PolarHBondContact O-N 3.31Å; K1252-I1254 VanDerWaalsContact C-N 3.29Å; K1252-I1254 PolarHBondContact O-N 3.03Å; K1252-S1256 PolarHBondContact O-N 2.84Å
1253S44.7Very low45.4Very low68 Ų68117.3 Ų117.348%0.47661%0.608SS.*Hα-helixtrans-72.9-16.4176.777.10000114.8E1249 S1250 M1251 S1256E1249-S1253 PolarHBondContact O-N 3.11Å; S1250-S1253 PolarHBondContact O-N 2.92Å; S1250-S1253 PolarHBondContact O-OG 3.37Å; M1251-S1253 VanDerWaalsContact C-N 3.28Å; M1251-S1253 PolarHBondContact O-N 2.92Å; S1253-S1256 PolarHBondContact O-OG 2.82Å
1254I45.2Very low44.2Very low109 Ų109124.1 Ų124.156%0.55964%0.636SS**Hα-helixtrans-88.8-34.6175.8-69164.9000111S1250 M1251 K1252S1250-I1254 WeakPolarHBondContact O-CG1 3.32Å; S1250-I1254 PolarHBondContact O-N 2.71Å; S1250-I1254 VanDerWaalsContact O-N 3.16Å; M1251-I1254 PolarHBondContact O-N 2.79Å; M1251-I1254 VanDerWaalsContact O-N 3.16Å; K1252-I1254 VanDerWaalsContact C-N 3.29Å; K1252-I1254 PolarHBondContact O-N 3.03Å
1255N43.7Very low43.5Very low115 Ų115124 Ų12462%0.61564%0.642SS**Hα-helixtrans-80.7-15.7-179.9-71.3-2.7000113.7M1251 D1257M1251-N1255 PolarHBondContact O-N 2.81Å; M1251-N1255 VanDerWaalsContact O-N 3.07Å; N1255-D1257 VanDerWaalsContact C-N 3.29Å; N1255-D1257 PolarHBondContact O-N 2.85Å
1256S42.3Very low42.4Very low78 Ų78126 Ų12655%0.54565%0.653SS.*THydrogen-bonded Turntrans-73-14.8179.6570000115.4K1252 S1253K1252-S1256 PolarHBondContact O-N 2.84Å; S1253-S1256 PolarHBondContact O-OG 2.82Å
1257D43.9Very low41.7Very low134 Ų134125.8 Ų125.872%0.71766%0.66SS**THydrogen-bonded Turntrans-101.79.9-165.5-77.622.9000113.8N1255N1255-D1257 VanDerWaalsContact C-N 3.29Å; N1255-D1257 PolarHBondContact O-N 2.85Å
1258N40.9Very low40.9Very low147 Ų147127.9 Ų127.979%0.78667%0.672SS**  trans-128.412.6-172.2-100-32.9000116.7
1259D32.1Very low40.2Very low140 Ų140127 Ų12775%0.74968%0.681SS**  trans-95.5100.7172.5-80.6-47000111.8
1260N35.1Very low39.5Very low153 Ų153127 Ų12782%0.81869%0.685SS**  trans-176.181.2158.8-108.6-75.1000113
1261F33Very low38.7Very low183 Ų183127.8 Ų127.880%0.80369%0.691SS**SBendtrans179.5131.8132.9-110.4-143.7000114.8
1262F31.5Very low38.1Very low175 Ų175131.8 Ų131.877%0.76870%0.702SS**  trans67.395.8163.3-81.2-86.4000120.5
1263N30.3Very low37.4Very low148 Ų148132.4 Ų132.479%0.79171%0.711SS**  trans-68158.3159.3-44.9-7.9000112.2
1264E33.9Very low36.9Very low182 Ų182133 Ų13385%0.8572%0.721SS**  trans172.8101.5132.6-97.6169.8-163.900107
1265S37.5Very low36.5Very low89 Ų89135.9 Ų135.962%0.62274%0.738SS**  85.1126.588.667.30000113.1
1266D36.6Very low36Very low144 Ų144140 Ų14077%0.7775%0.746SS**  cis-158.5170.84.2-70.9-43.4000111.2
1267S38.9Very low35.9Very low99 Ų99141.1 Ų141.169%0.69275%0.751SS**  trans69.2146.5147.967.70000122.3
1268D38.7Very low35.5Very low143 Ų143144.2 Ų144.277%0.76576%0.758SS**  cis-167.3155.7-21.3-96.6-31.6000111.5
1269C35.5Very low35.2Very low112 Ų112140.2 Ų140.276%0.75775%0.752SS**  trans60.2165.3153.7870000118.7
1270D35.4Very low35.4Very low134 Ų134145.5 Ų145.572%0.71776%0.761SS**  cis-164.7-177.7-21.8-12039.1000108.9
1271S36.7Very low35.3Very low80 Ų80141.3 Ų141.356%0.55975%0.754SS**  -179.8-179.2-56.1-1690000108
1272Y33.7Very low35.5Very low192 Ų192137.7 Ų137.775%0.75375%0.749SS**  trans60.9114.7168.1-58.8-70.5000116.4
1273D36.4Very low35.7Very low155 Ų155135.6 Ų135.683%0.82975%0.746SS**  cis53.4144.437.9-72.1-26.2000114.6
1274A33.5Very low36Very low82 Ų82135.5 Ų135.568%0.67874%0.741SS**  cis-168.7166.6-21.700000106.6
1275D36.1Very low36.1Very low169 Ų169133.4 Ų133.490%0.90473%0.73SS**  trans-167.1151152-121.1-26.2000116.1
1276Y34.4Very low35.9Very low201 Ų201133.9 Ų133.979%0.78873%0.729SS**  trans-146.3158.3178.7-139-57.5000107.4
1277P39.6Very low35.8Very low102 Ų102133.5 Ų133.566%0.66272%0.723SS**  trans-148.6122.3147.530.9-11.3000118.3
1278K36.1Very low35.5Very low198 Ų198136.5 Ų136.586%0.86172%0.723SS**  60.1141.4118.3-60.5156.6-172.9169.60119.1
1279G34.5Very low35.3Very low63 Ų63136 Ų13665%0.64973%0.725SS**  cis-176.5-175.52.500000107.8
1280W35.3Very low35Very low252 Ų252135.5 Ų135.596%0.95572%0.723SS**  cis-152.8175.215.4-5269.3000106.6
1281G33Very low34.9Very low64 Ų64138.8 Ų138.866%0.6673%0.731SS**  cis96.8147.222.300000112.6
1282P37.7Very low34.6Very low107 Ų107141.1 Ų141.170%0.69573%0.732SS**  cis-145.9170.84.246.4-28.2000118.6
1283D35.9Very low34.5Very low132 Ų132143.8 Ų143.871%0.70674%0.741SS**  trans63.9155.2139.1-62.6-13.1000123.4
1284E36.1Very low34.2Very low146 Ų146142.4 Ų142.468%0.68273%0.728SS**  cis-161.5151.84-132.9-169.7177.200114.4
1285H35.8Very low34.1Very low137 Ų137143.3 Ų143.363%0.63473%0.729SS**  trans53.7157.1132.9-8415.4000124.5
1286V33.3Very low34.1Very low99 Ų99139.4 Ų139.460%0.672%0.715SS**  cis-165143.9-6.81030000116.7
1287H35.4Very low34.1Very low136 Ų136136.3 Ų136.363%0.6371%0.708SS**  trans64.2129.4140.7-75.4-16.3000130.5
1288K33.1Very low33.7Very low163 Ų163139.9 Ų139.971%0.70971%0.713SS**  97.5125.2114.3-78.7172.8176.1153.60126.3
1289V33.3Very low33.4Very low132 Ų132139.1 Ų139.180%0.871%0.705SS**  trans97.5149.4130.3166.30000121.7
1290S29.5Very low33.2Very low101 Ų101145.8 Ų145.871%0.70671%0.71SS**  trans-137.2176.8-155.558.10000115.1
1291K34.2Very low32.9Very low203 Ų203139.2 Ų139.288%0.88369%0.694SS**  trans-170.2154.1155.2-103.3139.7-164.6165.40116.6
1292H30Very low32.5Very low129 Ų129144 Ų14460%0.59770%0.702SS**  trans-89.5163.2-177.2-87.7-100.4000116.1
1293R31.3Very low32Very low249 Ų249142.2 Ų142.294%0.9470%0.703SS**  -161.7161.3128.1-115.9172.7179.3174.90.2117.1
1294F29.2Very low31.7Very low126 Ų126141.3 Ų141.355%0.55371%0.707SS**  trans-95.6168.8-174.2-89.1-112.7000114.5T1182T1182-F1294 HydrophobicContact CG2-CE1 3.73Å; T1182-F1294 HydrophobicContact CG2-CZ 3.87Å; T1182-F1294 VanDerWaalsContact OG1-CE1 3.3Å; T1182-F1294 WeakPolarHBondContact OG1-CE1 3.44Å; T1182-F1294 WeakPolarHBondContact OG1-CE2 3.34Å; T1182-F1294 WeakPolarHBondContact OG1-CZ 3.11Å
1295S32.4Very low31.5Very low100 Ų100142.1 Ų142.170%0.69971%0.711SS**  172.8129.7120-171.60000117.6
1296S35.5Very low31.3Very low87 Ų87143.6 Ų143.661%0.60872%0.718SS**  trans70.2154.4142.5-65.30000122.3
1297Q34.6Very low31.3Very low137 Ų137147 Ų14764%0.6473%0.726SS**  cis-170151.1-9.9-111.4171.640.900115.5
1298K32.1Very low31.2Very low177 Ų177148.8 Ų148.877%0.7773%0.732SS**  trans70.5164.2150.4-63.8156.2175.2152.70121.5
1299R29Very low31.1Very low182 Ų182146.9 Ų146.969%0.68772%0.724SS**  cis-179.9160-41.3-164.9171.9-164.5-154.76.7112
1300W29.9Very low31.1Very low202 Ų202145 Ų14577%0.76572%0.717SS**  trans91.1153161.1-53.496.1000118.8
1301L28.6Very low31.3Very low115 Ų115147.8 Ų147.860%0.60271%0.712SS**  -177141.7-52.1-104.7163.8000113.5
1302I26.5Very low31.3Very low164 Ų164145.7 Ų145.784%0.84171%0.71SS**  trans68136.3153.3-64.1157000122.1
1303G27.2Very low31.4Very low69 Ų69144.1 Ų144.171%0.71171%0.713SS**  trans156.1141.6150.600000117.4
1304S29.5Very low31.6Very low113 Ų113138.8 Ų138.879%0.7971%0.708SS**  trans-147.8162.3-174.6-520000116
1305H31.3Very low31.7Very low164 Ų164138 Ų13876%0.75972%0.718SS**  trans120.6128.7148.5-78.8-89.3000123.7
1306H31.7Very low32Very low168 Ų168139 Ų13978%0.77872%0.723SS**  trans95.5149.7137.2-76.5-47.3000126.9
1307H32.5Very low31.6Very low169 Ų169138.8 Ų138.878%0.78273%0.725SS**  trans-100.1171.4-161.4-71.9-111.5000117.4
1308K33.5Very low31.3Very low174 Ų174139 Ų13976%0.75773%0.729SS**  163.6128.7105.5-88.8-166.2167.8-158.90118.7
1309F31.5Very low31.1Very low124 Ų124139 Ų13954%0.54473%0.732SS.*  trans57.2166136.2-76.4-51.7000123.2N441N441-F1309 VanDerWaalsContact O-CE1 3.23Å; N441-F1309 WeakPolarHBondContact O-CE1 3.39Å
1310S32.7Very low31.1Very low93 Ų93135.1 Ų135.165%0.6573%0.732SS**  cis-176-172.4-14.661.30000109.3
1311R33.9Very low31.3Very low158 Ų158132.9 Ų132.960%0.59674%0.736SS**  cis-168.7173.1-5.3-137.9173.5-171.2-175.23108.8D440D440-R1311 IonicContact OD2-CZ 3.13Å; D440-R1311 IonicContact OD2-NH2 2.68Å; D440-R1311 PolarHBondContact OD2-NH2 3.36Å
1312L33.6Very low31.5Very low160 Ų160133.4 Ų133.484%0.83875%0.746SS**  trans78.8149158.3-64.3170000121
1313S33.6Very low31.5Very low95 Ų95134.1 Ų134.166%0.66475%0.746SS**  cis-174.3155.9-8.253.20000118
1314V34.3Very low32.1Very low138 Ų138135.4 Ų135.484%0.83674%0.741SS**  trans89.1138.3145.3162.60000122.3
1315S31.5Very low32.1Very low108 Ų108137.4 Ų137.476%0.75574%0.743SS**  trans-120.2-147.5-178.8-40.80000110
1316P39.7Very low31.9Very low123 Ų123131.9 Ų131.980%0.79972%0.721SS**  cis-132.3-168.2-23.440.7-22.5000113.6
1317A27.4Very low31.7Very low81 Ų81130 Ų13067%0.66972%0.717SS**  157.6115.2118.700000119
1318I26.5Very low31.5Very low141 Ų141134.1 Ų134.172%0.72373%0.726SS**  trans48.8112.8132.6-33.2165.1000121.7
1319H29.7Very low31.2Very low179 Ų179137.1 Ų137.183%0.82973%0.732SS**  -179.2176.4109.2-101.7-63.9000113.2
1320S27.6Very low31Very low99 Ų99138 Ų13869%0.69274%0.741SS**  trans-119.5149.4-155-46.80000115.5
1321D34.6Very low30.7Very low156 Ų156140.7 Ų140.783%0.83474%0.743SS**  trans23.5137.3137-58.3-9.7000120
1322P32.1Very low30.5Very low126 Ų126137.9 Ų137.982%0.81874%0.74SS**  -146.2169.569.841-23.7000118.5
1323E28.2Very low30.5Very low178 Ų178134.5 Ų134.583%0.83273%0.727SS**  trans-68.1-175.9161.7-58.7-169.3128.500112.8
1324P39.8Very low30.3Very low96 Ų96135.6 Ų135.662%0.62372%0.721SS**  -121.7179.5-57.734-20.8000110.8
1325N28.3Very low30.3Very low155 Ų155135.5 Ų135.583%0.82972%0.716SS**  trans-146.1146.9161-167.223.5000113.7
1326V27.4Very low30.5Very low49 Ų49137.7 Ų137.730%0.29772%0.724SS.*  trans-86157.1176.2-171.50000109.6F413F413-V1326 HydrophobicContact CB-CG2 3.63Å; F413-V1326 HydrophobicContact CD1-CG2 3.67Å; F413-V1326 HydrophobicContact CD2-CG1 4.28Å; F413-V1326 HydrophobicContact CD2-CG2 3.94Å; F413-V1326 HydrophobicContact CE1-CG1 4.47Å; F413-V1326 HydrophobicContact CE1-CG2 4.22Å; F413-V1326 HydrophobicContact CE2-CG1 4.07Å; F413-V1326 HydrophobicContact CE2-CG2 4.45Å; F413-V1326 HydrophobicContact CG-CG2 3.51Å; F413-V1326 HydrophobicContact CZ-CG1 4.17Å
1327N27.2Very low30.2Very low128 Ų128139.2 Ų139.268%0.68472%0.721SS**  trans79.886.4177.4-42.5-76.3000115.5
1328W29.4Very low30.2Very low255 Ų255141.8 Ų141.897%0.96672%0.723SS**  trans-140.325.8165.1-115.614.8000116.8I1330W1328-I1330 PolarHBondContact O-N 2.8Å; W1328-I1330 VanDerWaalsContact O-N 3.15Å
1329W25.4Very low30.6Very low238 Ų238144.2 Ų144.290%0.90273%0.729SS**  trans-71.798.8153.5-13.885.5000108.7
1330I27.8Very low30.6Very low141 Ų141144.8 Ų144.872%0.72373%0.732SS**  trans170.7118.2152.9-94.1154.8000111.3W1328W1328-I1330 PolarHBondContact O-N 2.8Å; W1328-I1330 VanDerWaalsContact O-N 3.15Å
1331Q27.2Very low30.8Very low150 Ų150151.2 Ų151.270%0.70174%0.741SS**  trans68.9122.6155.6-66.2-168.7-97.500118.9
1332D30.2Very low30.8Very low100 Ų100151.7 Ų151.754%0.53574%0.744SS.*  84.5137.281.9-63.2-22.6000112.3
1333T32.1Very low30.7Very low89 Ų89150.7 Ų150.755%0.54674%0.735SS.*  cis-129.6-122-3.4-12.30000110.8H873H873-T1333 PolarHBondContact CE1-OG1 3.04Å
1334E30.8Very low30.8Very low117 Ų117147.3 Ų147.355%0.54773%0.73SS.*  cis-159.5153.4-3.9-141.8132.1-4300109.8H873H873-E1334 IonicContact CE1-OE1 3.91Å; H873-E1334 PolarHBondContact CE1-OE1 3.26Å; H873-E1334 IonicContact CE1-OE2 2.79Å; H873-E1334 PolarHBondContact CE1-OE2 3.36Å; H873-E1334 VanDerWaalsContact CE1-OE2 3.28Å; H873-E1334 IonicContact CG-OE2 2.65Å; H873-E1334 VanDerWaalsContact ND1-CD 3.3Å; H873-E1334 IonicContact ND1-OE1 3.84Å; H873-E1334 IonicContact ND1-OE2 3.96Å; H873-E1334 PolarHBondContact ND1-OE2 3.28Å
1335D32.8Very low30.4Very low137 Ų137147.2 Ų147.273%0.73373%0.729SS**  trans52.596.3159-55.3-15.9000124.4
1336V37.6Very low30.9Very low153 Ų153144.5 Ų144.593%0.92771%0.712SS**  -140.2154.1113.1-178.20000107.6
1337E32.8Very low31.4Very low156 Ų156146.3 Ų146.373%0.72974%0.74SS**  trans-109.4160.2-154.8-47.4-175.185.200118.8
1338N27.9Very low31.9Very low134 Ų134149.8 Ų149.872%0.71775%0.745SS**  trans56.594.5143-59.5-32.9000121
1339K34.2Very low32.8Very low193 Ų193141.6 Ų141.684%0.83972%0.72SS**  trans-152.4146.7133.8-111.7170.6-175.6179.20110.8
1340E29.8Very low33.5Very low191 Ų191137.4 Ų137.489%0.89371%0.706SS**  trans-94136.6178.6-65.6-176.3115.500110.9
1341W32Very low34.5Very low233 Ų233132.6 Ų132.688%0.88369%0.687SS**  trans-140.5139.8169.8-77.4107.1000111.8
1342N33.3Very low35.7Very low167 Ų167127.4 Ų127.489%0.89366%0.664SS**PPolyproline II helixtrans-83.9163.1-179.4-83.2-49.4000112.3
1343T30.5Very low36.6Very low105 Ų105124.5 Ų124.564%0.64465%0.654SS**PPolyproline II helixtrans-88.2121.9-169.354.30000114.1R859R859-T1343 PolarHBondContact NH2-OG1 3.31Å
1344C30.2Very low37.5Very low106 Ų106123.5 Ų123.572%0.71664%0.643SS**PPolyproline II helixtrans-84.5149.3157.5-164.50000110.4
1345P31.1Very low38.7Very low94 Ų94122.8 Ų122.861%0.6164%0.635SS**  trans-10818.3-174.540.9-35000116.5
1346E39.3Very low39.6Very low98 Ų98119.3 Ų119.346%0.45862%0.619SS.*SBendtrans-122.9169179.8-99.5115.5-136.600113.6S107 Y1348S107-E1346 WeakPolarHBondContact CB-OE1 3.43Å; E1346-Y1348 PolarHBondContact O-N 3.3Å
1347G37.5Very low40.2Very low87 Ų87116.4 Ų116.490%0.89759%0.591SS**SBendtrans-74.215-166.400000117.8D1349G1347-D1349 PolarHBondContact O-N 3.05Å
1348Y38.3Very low41.1Very low201 Ų201114.5 Ų114.579%0.78858%0.583SS**  trans-82.5108.8170.6-93.6-105.9000109.5E1346 Y1350E1346-Y1348 PolarHBondContact O-N 3.3Å; Y1348-Y1350 VanDerWaalsContact C-N 3.28Å; Y1348-Y1350 PolarHBondContact O-N 3.09Å
1349D48.8Very low42.3Very low84 Ų84113.5 Ų113.545%0.44958%0.576SS.*  trans-72.693.4159.3-175.814.8000108.4G1347 A1351 D1352 A1353 R1355G1347-D1349 PolarHBondContact O-N 3.05Å; D1349-A1351 PolarHBondContact O-N 3.39Å; D1349-A1351 VanDerWaalsContact O-N 3.09Å; D1349-A1351 WeakPolarHBondContact OD1-CA 3.41Å; D1349-A1351 VanDerWaalsContact OD1-CB 3.3Å; D1349-A1351 WeakPolarHBondContact OD1-CB 3.44Å; D1349-A1351 PolarHBondContact OD1-N 2.93Å; D1349-D1352 HydrophobicContact CB-CB 4.12Å; D1349-D1352 PolarHBondContact O-N 2.99Å; D1349-D1352 PolarHBondContact OD2-N 3.44Å; D1349-A1353 PolarHBondContact O-N 2.64Å; D1349-R1355 IonicContact OD2-CZ 2.88Å; D1349-R1355 IonicContact OD2-NH2 3.49Å; D1349-R1355 PolarHBondContact OD2-NH2 3.42Å
1350Y40Very low42.7Very low150 Ų150109.8 Ų109.859%0.58856%0.563SS**Hα-helixtrans-53.4-27.2173-129.2-82.8000111.3Y1348 A1353 E1354Y1348-Y1350 VanDerWaalsContact C-N 3.28Å; Y1348-Y1350 PolarHBondContact O-N 3.09Å; Y1350-A1353 PolarHBondContact O-N 3.48Å; Y1350-E1354 VanDerWaalsContact O-CB 3.31Å; Y1350-E1354 WeakPolarHBondContact O-CB 3.46Å; Y1350-E1354 PolarHBondContact O-N 2.83Å
1351A47.6Very low43.4Very low40 Ų40106 Ų10633%0.33154%0.541SS..Hα-helixtrans-82-16.3176.300000113.8D1349 R1355D1349-A1351 PolarHBondContact O-N 3.39Å; D1349-A1351 VanDerWaalsContact O-N 3.09Å; D1349-A1351 WeakPolarHBondContact OD1-CA 3.41Å; D1349-A1351 VanDerWaalsContact OD1-CB 3.3Å; D1349-A1351 WeakPolarHBondContact OD1-CB 3.44Å; D1349-A1351 PolarHBondContact OD1-N 2.93Å; A1351-R1355 VanDerWaalsContact C-CZ 3.44Å; A1351-R1355 VanDerWaalsContact CB-NH1 3.33Å; A1351-R1355 WeakPolarHBondContact O-CB 3.45Å; A1351-R1355 WeakPolarHBondContact O-CG 3.34Å; A1351-R1355 PolarHBondContact O-N 2.95Å; A1351-R1355 PolarHBondContact O-NE 3.42Å; A1351-R1355 PolarHBondContact O-NH1 3.48Å
1352D52.9Low43.9Very low41 Ų4198.9 Ų98.922%0.21952%0.52CS..Hα-helixtrans-84.5-30.8165.4-1074.7000110.7D1349 R1355 T1356D1349-D1352 HydrophobicContact CB-CB 4.12Å; D1349-D1352 PolarHBondContact O-N 2.99Å; D1349-D1352 PolarHBondContact OD2-N 3.44Å; D1352-R1355 VanDerWaalsContact CG-NH2 3.32Å; D1352-R1355 IonicContact OD1-CZ 3.8Å; D1352-R1355 IonicContact OD1-NE 3.83Å; D1352-R1355 PolarHBondContact OD1-NE 3.14Å; D1352-R1355 IonicContact OD1-NH2 3.86Å; D1352-R1355 PolarHBondContact OD1-NH2 3.05Å; D1352-T1356 WeakPolarHBondContact O-CB 3.45Å; D1352-T1356 PolarHBondContact O-N 3.27Å; D1352-T1356 PolarHBondContact O-OG1 3.3Å
1353A48.6Very low44.2Very low39 Ų3993.3 Ų93.332%0.32249%0.494SS..Hα-helixtrans-62.7-46.8166.300000110.5D1349 Y1350 T1356 R1357D1349-A1353 PolarHBondContact O-N 2.64Å; Y1350-A1353 PolarHBondContact O-N 3.48Å; A1353-T1356 PolarHBondContact O-N 3.27Å; A1353-R1357 WeakPolarHBondContact O-CB 3.44Å; A1353-R1357 PolarHBondContact O-N 3.09Å
1354E51.1Low44.6Very low68 Ų6895.7 Ų95.732%0.31849%0.492SS..Hα-helixtrans-70.2-38.8176.6-134.362.5-134.500112.4Y1350 T1356 R1357 E1358Y1350-E1354 VanDerWaalsContact O-CB 3.31Å; Y1350-E1354 WeakPolarHBondContact O-CB 3.46Å; Y1350-E1354 PolarHBondContact O-N 2.83Å; E1354-T1356 VanDerWaalsContact C-N 3.33Å; E1354-T1356 PolarHBondContact O-N 2.84Å; E1354-R1357 VanDerWaalsContact CD-NH1 3.31Å; E1354-R1357 CarbonylContact O-C 3.24Å; E1354-R1357 WeakPolarHBondContact O-CA 3.25Å; E1354-R1357 VanDerWaalsContact O-CB 3.31Å; E1354-R1357 WeakPolarHBondContact O-CB 3.48Å; E1354-R1357 PolarHBondContact O-N 3.32Å; E1354-R1357 VanDerWaalsContact O-N 3.13Å; E1354-R1357 WeakPolarHBondContact OE1-CD 3.28Å; E1354-R1357 IonicContact OE1-CZ 3.39Å; E1354-R1357 IonicContact OE1-NE 2.7Å; E1354-R1357 PolarHBondContact OE1-NE 3.04Å; E1354-R1357 IonicContact OE1-NH1 3.07Å; E1354-R1357 PolarHBondContact OE1-NH1 3.12Å; E1354-R1357 IonicContact OE2-CZ 3.71Å; E1354-R1357 IonicContact OE2-NE 3.63Å; E1354-R1357 IonicContact OE2-NH1 2.81Å; E1354-R1357 PolarHBondContact OE2-NH1 3.49Å; E1354-R1357 VanDerWaalsContact OE2-NH1 3.15Å; E1354-E1358 WeakPolarHBondContact O-CB 3.44Å; E1354-E1358 WeakPolarHBondContact O-CG 3.43Å; E1354-E1358 PolarHBondContact O-N 3.37Å
1355R56.7Low45Very low102 Ų10297.2 Ų97.239%0.38548%0.482SS..Hα-helixtrans-64.1-37.4171.1-81.5180-63.7-86.84.8112D1349 A1351 D1352 R1357 E1358 I1359D1349-R1355 IonicContact OD2-CZ 2.88Å; D1349-R1355 IonicContact OD2-NH2 3.49Å; D1349-R1355 PolarHBondContact OD2-NH2 3.42Å; A1351-R1355 VanDerWaalsContact C-CZ 3.44Å; A1351-R1355 VanDerWaalsContact CB-NH1 3.33Å; A1351-R1355 WeakPolarHBondContact O-CB 3.45Å; A1351-R1355 WeakPolarHBondContact O-CG 3.34Å; A1351-R1355 PolarHBondContact O-N 2.95Å; A1351-R1355 PolarHBondContact O-NE 3.42Å; A1351-R1355 PolarHBondContact O-NH1 3.48Å; D1352-R1355 VanDerWaalsContact CG-NH2 3.32Å; D1352-R1355 IonicContact OD1-CZ 3.8Å; D1352-R1355 IonicContact OD1-NE 3.83Å; D1352-R1355 PolarHBondContact OD1-NE 3.14Å; D1352-R1355 IonicContact OD1-NH2 3.86Å; D1352-R1355 PolarHBondContact OD1-NH2 3.05Å; R1355-R1357 VanDerWaalsContact C-N 3.3Å; R1355-E1358 PolarHBondContact O-N 2.83Å; R1355-I1359 WeakPolarHBondContact O-CB 3.48Å; R1355-I1359 WeakPolarHBondContact O-CD1 3.45Å; R1355-I1359 WeakPolarHBondContact O-CG1 3.46Å; R1355-I1359 PolarHBondContact O-N 2.75Å
1356T51.7Low45.3Very low64 Ų6498.2 Ų98.239%0.39348%0.482SS..Hα-helixtrans-68.5-34.5173.6-56.80000110.5D1352 A1353 E1354 M1360D1352-T1356 WeakPolarHBondContact O-CB 3.45Å; D1352-T1356 PolarHBondContact O-N 3.27Å; D1352-T1356 PolarHBondContact O-OG1 3.3Å; A1353-T1356 PolarHBondContact O-N 3.27Å; E1354-T1356 VanDerWaalsContact C-N 3.33Å; E1354-T1356 PolarHBondContact O-N 2.84Å; T1356-M1360 HydrophobicContact CG2-CE 3.73Å; T1356-M1360 WeakPolarHBondContact O-CB 3.2Å; T1356-M1360 WeakPolarHBondContact O-CG 3.34Å; T1356-M1360 PolarHBondContact O-N 3.13Å
1357R49.4Very low45.3Very low91 Ų91102 Ų10234%0.34349%0.493SS..Hα-helixtrans-64.1-49.2170.6-122.9-178.9-84.9176.4-23.7111.3A1353 E1354 R1355 M1360 Y1361A1353-R1357 WeakPolarHBondContact O-CB 3.44Å; A1353-R1357 PolarHBondContact O-N 3.09Å; E1354-R1357 VanDerWaalsContact CD-NH1 3.31Å; E1354-R1357 CarbonylContact O-C 3.24Å; E1354-R1357 WeakPolarHBondContact O-CA 3.25Å; E1354-R1357 VanDerWaalsContact O-CB 3.31Å; E1354-R1357 WeakPolarHBondContact O-CB 3.48Å; E1354-R1357 PolarHBondContact O-N 3.32Å; E1354-R1357 VanDerWaalsContact O-N 3.13Å; E1354-R1357 WeakPolarHBondContact OE1-CD 3.28Å; E1354-R1357 IonicContact OE1-CZ 3.39Å; E1354-R1357 IonicContact OE1-NE 2.7Å; E1354-R1357 PolarHBondContact OE1-NE 3.04Å; E1354-R1357 IonicContact OE1-NH1 3.07Å; E1354-R1357 PolarHBondContact OE1-NH1 3.12Å; E1354-R1357 IonicContact OE2-CZ 3.71Å; E1354-R1357 IonicContact OE2-NE 3.63Å; E1354-R1357 IonicContact OE2-NH1 2.81Å; E1354-R1357 PolarHBondContact OE2-NH1 3.49Å; E1354-R1357 VanDerWaalsContact OE2-NH1 3.15Å; R1355-R1357 VanDerWaalsContact C-N 3.3Å; R1357-M1360 CarbonylContact O-C 3.57Å; R1357-M1360 PolarHBondContact O-N 3.2Å; R1357-Y1361 HydrophobicContact CB-CD2 4.24Å; R1357-Y1361 HydrophobicContact CG-CD2 3.98Å; R1357-Y1361 HydrophobicContact CG-CE2 3.84Å; R1357-Y1361 WeakPolarHBondContact O-CA 3.31Å; R1357-Y1361 VanDerWaalsContact O-CB 3.22Å; R1357-Y1361 WeakPolarHBondContact O-CB 3.35Å; R1357-Y1361 VanDerWaalsContact O-CD2 3.25Å; R1357-Y1361 WeakPolarHBondContact O-CD2 3.46Å; R1357-Y1361 PolarHBondContact O-N 3.49Å
1358E51.6Low45.1Very low117 Ų117105.6 Ų105.655%0.54748%0.48SS..Hα-helixtrans-59-46.7175-73.7176.8138.500110.9E1354 R1355 M1360 Y1361 D1362E1354-E1358 WeakPolarHBondContact O-CB 3.44Å; E1354-E1358 WeakPolarHBondContact O-CG 3.43Å; E1354-E1358 PolarHBondContact O-N 3.37Å; R1355-E1358 PolarHBondContact O-N 2.83Å; E1358-M1360 VanDerWaalsContact C-N 3.34Å; E1358-M1360 PolarHBondContact O-N 3.1Å; E1358-Y1361 CarbonylContact O-C 3.35Å; E1358-Y1361 PolarHBondContact O-N 3.11Å; E1358-Y1361 VanDerWaalsContact O-N 3.12Å; E1358-D1362 WeakPolarHBondContact O-CB 3.41Å; E1358-D1362 PolarHBondContact O-N 2.95Å
1359I52.8Low44.9Very low113 Ų113100.7 Ų100.758%0.57946%0.464SS*.Hα-helixtrans-61.8-39.6175.2-69.9163.4000111.4R1355 S1363R1355-I1359 WeakPolarHBondContact O-CB 3.48Å; R1355-I1359 WeakPolarHBondContact O-CD1 3.45Å; R1355-I1359 WeakPolarHBondContact O-CG1 3.46Å; R1355-I1359 PolarHBondContact O-N 2.75Å; I1359-S1363 WeakPolarHBondContact O-CB 3.45Å; I1359-S1363 PolarHBondContact O-N 2.95Å; I1359-S1363 PolarHBondContact O-OG 2.86Å
1360M43.8Very low44.3Very low114 Ų114100.2 Ų100.256%0.56247%0.468SS*.Hα-helixtrans-74.6-28.1173.6-73.7-153.7-126.400113.4T1356 R1357 E1358 S1363 R1364T1356-M1360 HydrophobicContact CG2-CE 3.73Å; T1356-M1360 WeakPolarHBondContact O-CB 3.2Å; T1356-M1360 WeakPolarHBondContact O-CG 3.34Å; T1356-M1360 PolarHBondContact O-N 3.13Å; R1357-M1360 CarbonylContact O-C 3.57Å; R1357-M1360 PolarHBondContact O-N 3.2Å; E1358-M1360 VanDerWaalsContact C-N 3.34Å; E1358-M1360 PolarHBondContact O-N 3.1Å; M1360-S1363 CarbonylContact O-C 3.58Å; M1360-R1364 WeakPolarHBondContact O-CB 3.3Å; M1360-R1364 WeakPolarHBondContact O-CG 3.26Å; M1360-R1364 PolarHBondContact O-N 2.88Å
1361Y43.6Very low43.9Very low113 Ų11396.7 Ų96.744%0.44346%0.464SS..Hα-helixtrans-80.3-39.1179.1-91.5-62.8000111.4R1357 E1358 R1364 R1365R1357-Y1361 HydrophobicContact CB-CD2 4.24Å; R1357-Y1361 HydrophobicContact CG-CD2 3.98Å; R1357-Y1361 HydrophobicContact CG-CE2 3.84Å; R1357-Y1361 WeakPolarHBondContact O-CA 3.31Å; R1357-Y1361 VanDerWaalsContact O-CB 3.22Å; R1357-Y1361 WeakPolarHBondContact O-CB 3.35Å; R1357-Y1361 VanDerWaalsContact O-CD2 3.25Å; R1357-Y1361 WeakPolarHBondContact O-CD2 3.46Å; R1357-Y1361 PolarHBondContact O-N 3.49Å; E1358-Y1361 CarbonylContact O-C 3.35Å; E1358-Y1361 PolarHBondContact O-N 3.11Å; E1358-Y1361 VanDerWaalsContact O-N 3.12Å; Y1361-R1364 CarbonylContact O-C 3.6Å; Y1361-R1364 WeakPolarHBondContact O-CB 3.48Å; Y1361-R1364 PolarHBondContact O-N 3.46Å; Y1361-R1364 VanDerWaalsContact O-N 3.17Å; Y1361-R1365 WeakPolarHBondContact O-CB 3.49Å; Y1361-R1365 PolarHBondContact O-N 2.96Å
1362D43.2Very low43.3Very low82 Ų82101.4 Ų101.444%0.43948%0.477SS..Hα-helixtrans-67-44.1167.3-77.4-19000110.1E1358 R1364 R1365 D1366E1358-D1362 WeakPolarHBondContact O-CB 3.41Å; E1358-D1362 PolarHBondContact O-N 2.95Å; D1362-R1364 PolarHBondContact O-N 3.27Å; D1362-R1365 CarbonylContact O-C 3.55Å; D1362-R1365 WeakPolarHBondContact O-CA 3.2Å; D1362-R1365 PolarHBondContact O-N 2.66Å; D1362-D1366 PolarHBondContact O-N 3.38Å
1363S40.2Very low42.3Very low50 Ų50109.1 Ų109.135%0.3551%0.505SS..Hα-helixtrans-59.7-17.4170.2-67.70000114.2I1359 M1360 R1367I1359-S1363 WeakPolarHBondContact O-CB 3.45Å; I1359-S1363 PolarHBondContact O-N 2.95Å; I1359-S1363 PolarHBondContact O-OG 2.86Å; M1360-S1363 CarbonylContact O-C 3.58Å; S1363-R1367 VanDerWaalsContact O-CZ 3.31Å; S1363-R1367 PolarHBondContact O-NE 2.86Å; S1363-R1367 PolarHBondContact O-NH2 3.48Å
1364R39Very low41.5Very low155 Ų155115 Ų11559%0.58553%0.525SS*.Hα-helixtrans-93.2-35.4168.9-80.6169.5170.1-170.6-5.4111.6M1360 Y1361 D1362 R1367 Y1368M1360-R1364 WeakPolarHBondContact O-CB 3.3Å; M1360-R1364 WeakPolarHBondContact O-CG 3.26Å; M1360-R1364 PolarHBondContact O-N 2.88Å; Y1361-R1364 CarbonylContact O-C 3.6Å; Y1361-R1364 WeakPolarHBondContact O-CB 3.48Å; Y1361-R1364 PolarHBondContact O-N 3.46Å; Y1361-R1364 VanDerWaalsContact O-N 3.17Å; D1362-R1364 PolarHBondContact O-N 3.27Å; R1364-R1367 CarbonylContact O-C 3.34Å; R1364-R1367 PolarHBondContact O-N 2.94Å; R1364-Y1368 WeakPolarHBondContact O-CB 3.36Å; R1364-Y1368 PolarHBondContact O-N 2.91Å
1365R37.3Very low40.5Very low138 Ų138117.6 Ų117.652%0.52154%0.542SS..Hα-helixtrans-69.3-46.4-178.3-167.9177.4-139.3132.99111.8Y1361 D1362 R1367 Y1368 E1369Y1361-R1365 WeakPolarHBondContact O-CB 3.49Å; Y1361-R1365 PolarHBondContact O-N 2.96Å; D1362-R1365 CarbonylContact O-C 3.55Å; D1362-R1365 WeakPolarHBondContact O-CA 3.2Å; D1362-R1365 PolarHBondContact O-N 2.66Å; R1365-R1367 PolarHBondContact O-N 3.04Å; R1365-Y1368 CarbonylContact O-C 3.57Å; R1365-Y1368 PolarHBondContact O-N 3.38Å; R1365-E1369 VanDerWaalsContact CG-CD 3.48Å; R1365-E1369 HydrophobicContact CG-CG 4Å; R1365-E1369 VanDerWaalsContact CG-OE1 3.28Å; R1365-E1369 WeakPolarHBondContact CG-OE1 3.34Å; R1365-E1369 IonicContact CZ-OE1 3.65Å; R1365-E1369 IonicContact NE-OE1 2.9Å; R1365-E1369 PolarHBondContact NE-OE1 3.02Å; R1365-E1369 IonicContact NE-OE2 2.85Å; R1365-E1369 IonicContact NH2-OE1 3.36Å; R1365-E1369 WeakPolarHBondContact O-CB 3.38Å; R1365-E1369 PolarHBondContact O-N 3.33Å
1366D37.8Very low39.3Very low115 Ų115119.2 Ų119.262%0.61556%0.558SS**Hα-helixtrans-60.4-35.6173.3-66.3-35.6000110.8D1362 S1370D1362-D1366 PolarHBondContact O-N 3.38Å; D1366-S1370 WeakPolarHBondContact O-CB 3.49Å; D1366-S1370 PolarHBondContact O-N 3.41Å; D1366-S1370 VanDerWaalsContact O-N 3.13Å
1367R38.8Very low38.2Very low179 Ų179124.3 Ų124.368%0.67558%0.581SS**Hα-helixtrans-72.4-28.1172.2-86.4-179-84.6-150-9.6114.1S1363 R1364 R1365 C1371S1363-R1367 VanDerWaalsContact O-CZ 3.31Å; S1363-R1367 PolarHBondContact O-NE 2.86Å; S1363-R1367 PolarHBondContact O-NH2 3.48Å; R1364-R1367 CarbonylContact O-C 3.34Å; R1364-R1367 PolarHBondContact O-N 2.94Å; R1365-R1367 PolarHBondContact O-N 3.04Å; R1367-C1371 VanDerWaalsContact O-CB 3.24Å; R1367-C1371 WeakPolarHBondContact O-CB 3.39Å
1368Y34.5Very low37.3Very low161 Ų161123.7 Ų123.763%0.63160%0.595SS**Hα-helixtrans-92.3-26.1179.4-104.5-103.2000114.8R1364 R1365 K1372R1364-Y1368 WeakPolarHBondContact O-CB 3.36Å; R1364-Y1368 PolarHBondContact O-N 2.91Å; R1365-Y1368 CarbonylContact O-C 3.57Å; R1365-Y1368 PolarHBondContact O-N 3.38Å; Y1368-K1372 VanDerWaalsContact O-CD 3.31Å; Y1368-K1372 WeakPolarHBondContact O-CD 3.37Å; Y1368-K1372 WeakPolarHBondContact O-CG 3.44Å
1369E34.4Very low36.2Very low98 Ų98128.1 Ų128.146%0.45861%0.609SS.*Hα-helixtrans-95.5-34-178.1-65.4-175.2-168.600110.9R1365 K1372 Y1373R1365-E1369 VanDerWaalsContact CG-CD 3.48Å; R1365-E1369 HydrophobicContact CG-CG 4Å; R1365-E1369 VanDerWaalsContact CG-OE1 3.28Å; R1365-E1369 WeakPolarHBondContact CG-OE1 3.34Å; R1365-E1369 IonicContact CZ-OE1 3.65Å; R1365-E1369 IonicContact NE-OE1 2.9Å; R1365-E1369 PolarHBondContact NE-OE1 3.02Å; R1365-E1369 IonicContact NE-OE2 2.85Å; R1365-E1369 IonicContact NH2-OE1 3.36Å; R1365-E1369 WeakPolarHBondContact O-CB 3.38Å; R1365-E1369 PolarHBondContact O-N 3.33Å; E1369-K1372 PolarHBondContact O-N 2.9Å; E1369-Y1373 PolarHBondContact O-N 2.82Å
1370S35.3Very low35.1Very low74 Ų74132 Ų13252%0.51762%0.624SS.*Hα-helixtrans-57.4-50.2163.91770000111.4D1366 K1372 Y1373 E1374D1366-S1370 WeakPolarHBondContact O-CB 3.49Å; D1366-S1370 PolarHBondContact O-N 3.41Å; D1366-S1370 VanDerWaalsContact O-N 3.13Å; S1370-K1372 PolarHBondContact O-N 3.29Å; S1370-K1372 VanDerWaalsContact O-N 3.11Å; S1370-Y1373 PolarHBondContact O-N 3.26Å; S1370-Y1373 VanDerWaalsContact O-N 3.13Å; S1370-E1374 PolarHBondContact O-N 2.86Å
1371C31.6Very low34.6Very low76 Ų76134.6 Ų134.651%0.51464%0.635SS.*Hα-helixtrans-64.3-18.5179.9-165.70000113.7R1367 N1375R1367-C1371 VanDerWaalsContact O-CB 3.24Å; R1367-C1371 WeakPolarHBondContact O-CB 3.39Å; C1371-N1375 PolarHBondContact O-ND2 2.81Å
1372K34.3Very low33.9Very low139 Ų139141.3 Ų141.360%0.60466%0.66SS**Hα-helixtrans-89.3-17.7176.6-80.7174.4-176.1173.60114.7Y1368 E1369 S1370Y1368-K1372 VanDerWaalsContact O-CD 3.31Å; Y1368-K1372 WeakPolarHBondContact O-CD 3.37Å; Y1368-K1372 WeakPolarHBondContact O-CG 3.44Å; E1369-K1372 PolarHBondContact O-N 2.9Å; S1370-K1372 PolarHBondContact O-N 3.29Å; S1370-K1372 VanDerWaalsContact O-N 3.11Å
1373Y31.8Very low33.2Very low203 Ų203140.2 Ų140.280%0.79667%0.667SS**Hα-helixtrans-96.2-30.2179.7-103.6-84.1000114.7E1369 S1370E1369-Y1373 PolarHBondContact O-N 2.82Å; S1370-Y1373 PolarHBondContact O-N 3.26Å; S1370-Y1373 VanDerWaalsContact O-N 3.13Å
1374E32.5Very low32.8Very low162 Ų162147.5 Ų147.576%0.75770%0.695SS**G310 helixtrans-81.3-18.7-179-62.1-156.1126.100114.5S1370 N1376S1370-E1374 PolarHBondContact O-N 2.86Å; E1374-N1376 VanDerWaalsContact C-N 3.3Å; E1374-N1376 PolarHBondContact O-N 3.21Å
1375N30.1Very low32.4Very low123 Ų123143.2 Ų143.266%0.65870%0.7SS**G310 helixtrans-80.73-178.1-83.8-63.5000115.5C1371C1371-N1375 PolarHBondContact O-ND2 2.81Å
1376N30.7Very low32Very low137 Ų137143.9 Ų143.973%0.73371%0.713SS**G310 helixtrans-97.6-4.1-170.2-116.6-44.1000116.2E1374E1374-N1376 VanDerWaalsContact C-N 3.3Å; E1374-N1376 PolarHBondContact O-N 3.21Å
1377I30.5Very low31.5Very low170 Ų170146.7 Ų146.787%0.87273%0.727SS**SBendtrans-136.838.5-179.3-33.7179.9000113
1378A30Very low31Very low78 Ų78144.7 Ų144.765%0.64574%0.735SS**SBendtrans-136-4.9-175.800000118
1379Y27.1Very low30.6Very low211 Ų211148.3 Ų148.383%0.82775%0.748SS**  trans-129.444.1-176.8-114-78.6000117Q1381Y1379-Q1381 WeakPolarHBondContact CD1-O 3.44Å; Y1379-Q1381 PolarHBondContact O-N 2.78Å
1380Q30.1Very low30.3Very low194 Ų194150 Ų15091%0.90777%0.769SS**  trans-74.761.2157.8-76.5-162.3-0.700112.5
1381Q33.5Very low30.1Very low168 Ų168152.6 Ų152.679%0.78578%0.776SS**  trans-163.2131.8145-111.5147.1106.900113.2Y1379Y1379-Q1381 WeakPolarHBondContact CD1-O 3.44Å; Y1379-Q1381 PolarHBondContact O-N 2.78Å
1382R28.9Very low30.2Very low255 Ų255158.7 Ų158.796%0.96280%0.795SS**  trans-67154.1-174-55.8162.2175164.2-4.9112.6
1383G29.3Very low29.9Very low58 Ų58156 Ų15660%0.59881%0.806SS**  trans162.773.2146.500000119.3
1384H31.5Very low30.1Very low204 Ų204151.1 Ų151.194%0.94481%0.807SS**  trans64.8153163.3-48.5-94.6000116.2
1385G29.6Very low30.1Very low65 Ų65150.9 Ų150.967%0.6781%0.811SS**  cis158.2112.1-9.600000112.5
1386N29.9Very low30.4Very low152 Ų152153.2 Ų153.281%0.81382%0.824SS**  trans60.8121.3170.3-61.7-4.7000119.3
1387L27.9Very low30.5Very low173 Ų173153.9 Ų153.991%0.90683%0.827SS**  trans-14726.3131.5-145.878.8000114.5R1389L1387-R1389 PolarHBondContact O-N 2.68Å
1388T26.6Very low30.9Very low138 Ų138150.6 Ų150.685%0.84782%0.817SS**  trans-88.361.9177.1370000112.6
1389R27.6Very low31.2Very low236 Ų236155 Ų15589%0.89183%0.825SS**  trans-16896.7169.8-135.1173.6160.6101.3-4.3112.7L1387L1387-R1389 PolarHBondContact O-N 2.68Å
1390C28.3Very low31.6Very low133 Ų133151.7 Ų151.790%0.89982%0.821SS**  trans-165.141.9172.3-114.80000117.2
1391L30.2Very low31.8Very low129 Ų129148.4 Ų148.468%0.67581%0.808SS**SBendtrans-135.1-25.2169-139.986.1000116
1392F34.4Very low31.8Very low205 Ų205146.2 Ų146.290%0.89980%0.802SS**  trans-96.8132.6172.6-62.9-78.2000110.6
1393G27.5Very low32.1Very low81 Ų81141.2 Ų141.284%0.83579%0.79SS**  trans-108.7131.4174.300000110.4
1394A35.1Very low32.4Very low101 Ų101143.5 Ų143.584%0.83580%0.797SS**  trans-136.5121.5158.400000105.2
1395D33Very low32.5Very low157 Ų157138.9 Ų138.984%0.8479%0.787SS**  trans-79.7135.7168-61.5-67.1000107.5
1396D37.2Very low33Very low173 Ų173139.3 Ų139.393%0.92579%0.785SS**  -170.4154.7129.7-99.8-31.9000112.2
1397N33.2Very low33.5Very low150 Ų150138.6 Ų138.680%0.80278%0.781SS**  trans-102.3-169.4-173.8-137.914.5000109.4
1398P37.5Very low34.1Very low102 Ų102136.4 Ų136.466%0.66277%0.77SS**  cis-112.5-159-2023.91.5000109.4
1399E35.8Very low34.8Very low171 Ų171137.1 Ų137.180%0.79976%0.764SS**  cis-148.3137.530.3-75.7-178.4160.100109.1
1400D35.7Very low35.4Very low141 Ų141132.7 Ų132.775%0.75476%0.758SS**  67.8129.390.8-145.121.9000111.7
1401I34Very low36Very low124 Ų124129.8 Ų129.864%0.63674%0.743SS**  -165.8138.459-82.6174.7000110.7
1402N34.6Very low36.5Very low123 Ų123131.2 Ų131.266%0.65875%0.746SS**  trans64.9150.4157.5-70.7-27.3000120.1
1403Q34.5Very low36.7Very low149 Ų149128.1 Ų128.170%0.69674%0.739SS**  cis-160.9149.6-3.1-125.4154.119.700112.5
1404S35.2Very low37.1Very low107 Ų107129.2 Ų129.275%0.74873%0.73SS**  trans58.2140.9153.357.30000119.5
1405S35Very low37.1Very low106 Ų106132.6 Ų132.674%0.74173%0.732SS**  cis-174166.6-6.1460000109.1
1406A38.7Very low37.1Very low75 Ų75128.2 Ų128.262%0.6272%0.724SS**  trans73.5138.9157.200000118.4
1407D40.5Very low37.4Very low136 Ų136126.1 Ų126.173%0.72772%0.72SS**  cis-155.6149-14.2-86.9-28.8000106
1408D40.6Very low37.5Very low127 Ų127125.3 Ų125.368%0.67972%0.72SS**  trans48.9148.9131.2-50.9-16.6000121
1409E43.3Very low37.5Very low154 Ų154124.8 Ų124.872%0.7272%0.719SS**  cis-163.7170.10-121.2166.9174.800109.6
1410D40.1Very low37.3Very low143 Ų143123.7 Ų123.777%0.76572%0.719SS**  trans64.4158.1143.9-73.44.6000124.1
1411A39.9Very low37.4Very low72 Ų72124.8 Ų124.860%0.59572%0.723SS**  cis-177.7141.3-27.700000111.4
1412E40.5Very low37.5Very low158 Ų158123 Ų12374%0.73872%0.721SS**  trans50.4-178.5154.3-51.2-61.617400117.9V1414E1412-V1414 WeakPolarHBondContact OE2-CG2 3.43Å
1413D38.1Very low37.3Very low140 Ų140124.9 Ų124.975%0.74973%0.729SS**  cis-126.1138.7-11.4-97.3-62.9000106.1
1414V36.2Very low37.3Very low105 Ų105121.5 Ų121.564%0.63674%0.735SS**  88.6158.252.7173.90000113.4E1412E1412-V1414 WeakPolarHBondContact OE2-CG2 3.43Å
1415I36.3Very low37.2Very low171 Ų171125.4 Ų125.488%0.87774%0.741SS**  trans82122.7-176.3-45.3174.9000114.6
1416G32.6Very low37.4Very low66 Ų66128 Ų12868%0.6875%0.747SS**  cis-176.7157.8-6.600000113.5
1417P42.8Very low37.1Very low129 Ų129129.9 Ų129.984%0.83876%0.755SS**  trans-115.8173.3-163.142.4-33.9000115.7
1418V35.3Very low36.9Very low133 Ų133126.9 Ų126.981%0.80676%0.756SS**  trans-143.4112.3168.4-179.40000112.5
1419S37.4Very low36.7Very low91 Ų91130.3 Ų130.364%0.63677%0.768SS**  trans22.4128.8157.261.50000121.4
1420D32.2Very low36.2Very low148 Ų148131.6 Ų131.679%0.79178%0.779SS**  79.7121.751.5-69.2-50.2000116.5
1421I36.9Very low35.9Very low163 Ų163127.7 Ų127.784%0.83677%0.773SS**  trans-16998.3143-94.4149.7000104.7
1422S36.5Very low35.6Very low86 Ų86130.8 Ų130.860%0.60178%0.779SS**  6693.186.7-63.70000112.9
1423I31.2Very low35.2Very low163 Ų163129.2 Ų129.284%0.83678%0.776SS**  85.3130.282.3-73.8161.3000112.4
1424G34.9Very low35.2Very low78 Ų78131 Ų13180%0.80478%0.78SS**  trans-178.857.1-178.500000112.6
1425E33Very low35Very low190 Ų190133.2 Ų133.289%0.88879%0.788SS**  trans-75.1147171.8-58.8172.9131.800110.9
1426D37.8Very low35Very low161 Ų161133 Ų13386%0.86179%0.789SS**  trans-149155.5147.5-153.5-11.2000109.2
1427S33.8Very low35Very low114 Ų114137.9 Ų137.980%0.79780%0.799SS**  trans-149.4138.4-159.563.40000114.7
1428G34.7Very low34.6Very low72 Ų72140.7 Ų140.774%0.74280%0.801SS**  trans163.2150.5171.300000111.2
1429E37.8Very low34.3Very low199 Ų199143.6 Ų143.693%0.9381%0.806SS**  cis-139.1178.9-2.8-74-170.9103.500110.6
1430L33Very low34.1Very low181 Ų181148.4 Ų148.495%0.94882%0.818SS**  trans-104.4149.6-174.6-66.3163.1000112.7
1431G34Very low34Very low62 Ų62149.9 Ų149.964%0.63982%0.82SS**  trans162.9120.4166.400000110.3
1432N31.9Very low33.8Very low137 Ų137150.1 Ų150.173%0.73382%0.823SS**  68.612566.8-72.873.6000111.8
1433D32.4Very low33.8Very low124 Ų124154.3 Ų154.366%0.66383%0.833SS**  cis-156-166.1-3.4-80.2-45.5000108.3
1434E38Very low34Very low179 Ų179152.7 Ų152.784%0.83683%0.827SS**  trans80.491.9155.9-64.8172.4-169.300118.4
1435D33.3Very low34.2Very low151 Ų151156.7 Ų156.781%0.80783%0.829SS**  21.3124.6126.2-44.3-19.2000120
1436D36.4Very low34.7Very low167 Ų167152.4 Ų152.489%0.89382%0.815SS**  trans-154.6122.7140.4-102.5-34.9000108.8
1437D31.2Very low35Very low168 Ų168148.3 Ų148.390%0.89879%0.794SS**  trans-91.8111.4173.9-72-57.8000109.2
1438E35Very low35.5Very low187 Ų187150.4 Ų150.487%0.87479%0.791SS**  trans-115124.2167-70.1-161.4137.600111.2E1440E1438-E1440 PolarHBondContact O-N 2.73Å
1439E29.1Very low35.9Very low194 Ų194156 Ų15691%0.90779%0.789SS**  trans-82106.7177.8-59.1174.9136.300109.3
1440E32.4Very low36.4Very low192 Ų192152.6 Ų152.690%0.89777%0.768SS**  trans-92.2141.6166-76.2-158.9141.900111.4E1438E1438-E1440 PolarHBondContact O-N 2.73Å
1441E31.2Very low37.1Very low179 Ų179147.6 Ų147.684%0.83674%0.743SS**  trans-88.7118.9-159.1-60.2174.7121.800112.8E1443E1441-E1443 VanDerWaalsContact C-N 3.31Å; E1441-E1443 PolarHBondContact O-N 2.86Å
1442D31.8Very low37.6Very low168 Ų168149.1 Ų149.190%0.89874%0.741SS**  trans-66.882.9167.1-86.2-47000110.3D1444D1442-D1444 PolarHBondContact O-N 3.33Å
1443E37.4Very low38.1Very low174 Ų174145.1 Ų145.181%0.81372%0.72SS**  trans-67.9116.6173-78.8-155.9134.300111.7E1441 L1445E1441-E1443 VanDerWaalsContact C-N 3.31Å; E1441-E1443 PolarHBondContact O-N 2.86Å; E1443-L1445 PolarHBondContact O-N 3.13Å; E1443-L1445 VanDerWaalsContact O-N 3.13Å
1444D34.2Very low39Very low130 Ų130145.4 Ų145.470%0.69571%0.711SS**  trans-48.8106.2-177.7-107-57.8000114.4D1442 T1446D1442-D1444 PolarHBondContact O-N 3.33Å; D1444-T1446 WeakPolarHBondContact CB-OG1 3.38Å; D1444-T1446 PolarHBondContact O-N 3.45Å; D1444-T1446 VanDerWaalsContact O-N 3.09Å; D1444-T1446 WeakPolarHBondContact OD1-CG2 3.4Å; D1444-T1446 PolarHBondContact OD1-OG1 3.28Å
1445L40.6Very low39.6Very low161 Ų161142.9 Ų142.984%0.84370%0.7SS**  trans-79.428.6166.3-70.5177.6000113.1E1443 D1447E1443-L1445 PolarHBondContact O-N 3.13Å; E1443-L1445 VanDerWaalsContact O-N 3.13Å; L1445-D1447 VanDerWaalsContact C-N 3.28Å; L1445-D1447 PolarHBondContact O-N 3.4Å
1446T42.8Very low40.1Very low100 Ų100143.1 Ų143.161%0.61369%0.694SS**  trans-87.916.3179.452.30000113.6D1444 E1448D1444-T1446 WeakPolarHBondContact CB-OG1 3.38Å; D1444-T1446 PolarHBondContact O-N 3.45Å; D1444-T1446 VanDerWaalsContact O-N 3.09Å; D1444-T1446 WeakPolarHBondContact OD1-CG2 3.4Å; D1444-T1446 PolarHBondContact OD1-OG1 3.28Å; T1446-E1448 PolarHBondContact O-N 3.05Å
1447D43.8Very low40Very low76 Ų76141 Ų14141%0.40668%0.68SS.*  trans-60.7113.3-179.1-175.58.2000112.6L1445 R1449 W1450L1445-D1447 VanDerWaalsContact C-N 3.28Å; L1445-D1447 PolarHBondContact O-N 3.4Å; D1447-R1449 VanDerWaalsContact CG-CB 3.41Å; D1447-R1449 PolarHBondContact O-N 2.74Å; D1447-R1449 WeakPolarHBondContact OD1-CB 3.45Å; D1447-R1449 PolarHBondContact OD1-N 2.85Å; D1447-R1449 VanDerWaalsContact OD1-N 3.13Å; D1447-R1449 VanDerWaalsContact OD2-CB 3.31Å; D1447-R1449 WeakPolarHBondContact OD2-CB 3.27Å; D1447-R1449 WeakPolarHBondContact OD2-CD 3.29Å; D1447-W1450 PolarHBondContact O-N 3.38Å
1448E44.2Very low40.5Very low158 Ų158139.6 Ų139.674%0.73867%0.669SS**G310 helixtrans-53-22176.9-60.8-176.9147.500112.8T1446 W1450 D1451T1446-E1448 PolarHBondContact O-N 3.05Å; E1448-W1450 PolarHBondContact O-N 3.1Å; E1448-D1451 PolarHBondContact O-N 2.97Å
1449R43.2Very low40.8Very low188 Ų188137.1 Ų137.171%0.70966%0.658SS**G310 helixtrans-53.1-26177.5-175.1177.4179.2-173.4-2.5114.6D1447D1447-R1449 VanDerWaalsContact CG-CB 3.41Å; D1447-R1449 PolarHBondContact O-N 2.74Å; D1447-R1449 WeakPolarHBondContact OD1-CB 3.45Å; D1447-R1449 PolarHBondContact OD1-N 2.85Å; D1447-R1449 VanDerWaalsContact OD1-N 3.13Å; D1447-R1449 VanDerWaalsContact OD2-CB 3.31Å; D1447-R1449 WeakPolarHBondContact OD2-CB 3.27Å; D1447-R1449 WeakPolarHBondContact OD2-CD 3.29Å
1450W49.5Very low41.4Very low129 Ų129133.9 Ų133.949%0.48964%0.644SS.*G310 helixtrans-95.1-8.1-175.4-60.6103.2000114.6D1447 E1448 L1453 R1454D1447-W1450 PolarHBondContact O-N 3.38Å; E1448-W1450 PolarHBondContact O-N 3.1Å; W1450-L1453 HydrophobicContact CE3-CD2 3.85Å; W1450-L1453 HydrophobicContact CZ3-CD2 4.02Å; W1450-L1453 WeakPolarHBondContact O-CB 3.31Å; W1450-L1453 PolarHBondContact O-N 3.41Å; W1450-R1454 PolarHBondContact O-N 3.49Å
1451D46.4Very low41.9Very low76 Ų76130.5 Ų130.541%0.40663%0.629SS.*Hα-helixtrans-61.1-39.5-177.9-68.1-35.4000114.4E1448 L1453 R1454 E1455E1448-D1451 PolarHBondContact O-N 2.97Å; D1451-L1453 PolarHBondContact O-N 3.14Å; D1451-L1453 VanDerWaalsContact O-N 3.1Å; D1451-R1454 CarbonylContact O-C 3.54Å; D1451-R1454 PolarHBondContact O-N 3.26Å; D1451-R1454 VanDerWaalsContact O-N 3.1Å; D1451-R1454 IonicContact OD1-CZ 3.28Å; D1451-R1454 IonicContact OD1-NE 2.76Å; D1451-R1454 PolarHBondContact OD1-NE 2.89Å; D1451-R1454 IonicContact OD1-NH2 2.82Å; D1451-R1454 PolarHBondContact OD1-NH2 3.08Å; D1451-R1454 IonicContact OD2-NH2 3.71Å; D1451-E1455 PolarHBondContact O-N 2.61Å
1452P44Very low42.6Very low93 Ų93127.5 Ų127.560%0.60462%0.616SS**Hα-helixtrans-64.3-15.6174.5-22.634.8000114.3F1456P1452-F1456 WeakPolarHBondContact O-CB 3.17Å
1453L43Very low43.3Very low54 Ų54124.8 Ų124.828%0.28360%0.597SS.*Hα-helixtrans-91-35.4173.9-168.563.9000111P1109 W1450 D1451 E1455 F1456 M1457P1109-L1453 HydrophobicContact CB-CD2 4.04Å; P1109-L1453 HydrophobicContact CG-CD1 4.4Å; P1109-L1453 HydrophobicContact CG-CD2 4.01Å; P1109-L1453 HydrophobicContact CG-CG 4.41Å; W1450-L1453 HydrophobicContact CE3-CD2 3.85Å; W1450-L1453 HydrophobicContact CZ3-CD2 4.02Å; W1450-L1453 WeakPolarHBondContact O-CB 3.31Å; W1450-L1453 PolarHBondContact O-N 3.41Å; D1451-L1453 PolarHBondContact O-N 3.14Å; D1451-L1453 VanDerWaalsContact O-N 3.1Å; L1453-E1455 VanDerWaalsContact C-N 3.29Å; L1453-F1456 PolarHBondContact O-N 3.24Å; L1453-M1457 PolarHBondContact O-N 2.92Å
1454R51.7Low43.8Very low129 Ų129121.3 Ų121.349%0.48758%0.582SS.*Hα-helixtrans-65.7-27.1168.5-72.2-173.9-85-1052.8113.3W1450 D1451W1450-R1454 PolarHBondContact O-N 3.49Å; D1451-R1454 CarbonylContact O-C 3.54Å; D1451-R1454 PolarHBondContact O-N 3.26Å; D1451-R1454 VanDerWaalsContact O-N 3.1Å; D1451-R1454 IonicContact OD1-CZ 3.28Å; D1451-R1454 IonicContact OD1-NE 2.76Å; D1451-R1454 PolarHBondContact OD1-NE 2.89Å; D1451-R1454 IonicContact OD1-NH2 2.82Å; D1451-R1454 PolarHBondContact OD1-NH2 3.08Å; D1451-R1454 IonicContact OD2-NH2 3.71Å
1455E49.8Very low44.5Very low127 Ų127120.6 Ų120.659%0.59357%0.573SS**THydrogen-bonded Turntrans-87.1-8.2175.1-162.9179.1-156.500113.1D1451 L1453D1451-E1455 PolarHBondContact O-N 2.61Å; L1453-E1455 VanDerWaalsContact C-N 3.29Å
1456F43.5Very low44.8Very low155 Ų155117.3 Ų117.368%0.6855%0.551SS**THydrogen-bonded Turntrans-102.7-30.1-178174.7-98000114.4P1452 L1453P1452-F1456 WeakPolarHBondContact O-CB 3.17Å; L1453-F1456 PolarHBondContact O-N 3.24Å
1457M35.7Very low45Very low122 Ų122118.8 Ų118.860%0.60155%0.545SS*.  trans-81.60177.7-65.7-173.2-56.800112.3P1109 M1121 L1453P1109-M1457 HydrophobicContact CG-SD 3.62Å; M1121-M1457 HydrophobicContact CE-CE 3.72Å; M1121-M1457 HydrophobicContact CE-SD 4.1Å; M1121-M1457 HydrophobicContact SD-CE 4.49Å; L1453-M1457 PolarHBondContact O-N 2.92Å

Retrieved 1,457 of 1,457 residues in 981.8 ms (Link to these results)

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