A0A096N1U6_PAPAN Loading...

Protein phosphatase 1B

AlphaFold DB , UniProt , Accession A0A096N1U6, Species PAPAN (Papio anubis, Olive baboon), Gene PPM1B, Length 387 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
1M39.1Very low85.6Confident238 Ų238106.7 Ų106.7100%1.17257%0.574SS**  01120-87.6-179.7-100.400106.3
2G56.3Low86.7Confident55 Ų55101.6 Ų101.657%0.56754%0.542SS*.PPolyproline II helixtrans-66.5164.2174.800000110.6
3A75.8Confident87.6Confident73 Ų73101.2 Ų101.260%0.60354%0.535SS*.PPolyproline II helixtrans-69.1135.3172.400000109.5V34A3-V34 HydrophobicContact CB-CG2 3.75Å; A3-V34 WeakPolarHBondContact O-CG2 3.4Å
4F93.1Very high88.4Confident97 Ų9798.1 Ų98.143%0.42552%0.519SS..EExtended strand (participates in β ladder)trans-96.7153166.8-64.6-65.7000109.2W32 R285F4-W32 CarbonylContact C-O 3.5Å; F4-W32 WeakPolarHBondContact CA-O 3.45Å; F4-W32 HydrophobicContact CD1-CB 4.01Å; F4-R285 HydrophobicContact CD1-CB 4.41Å; F4-R285 HydrophobicContact CE1-CB 3.78Å; F4-R285 HydrophobicContact CZ-CB 4.3Å
5L95.1Very high89.1Confident45 Ų4593.8 Ų93.824%0.23650%0.503CS..EExtended strand (participates in β ladder)trans-73.3159.5169.8-64.5171.9000111K7 K9 W32 R33 V34L5-K7 VanDerWaalsContact C-N 3.26Å; L5-K7 WeakPolarHBondContact CB-O 3.4Å; L5-K7 PolarHBondContact O-N 3.19Å; L5-K9 HydrophobicContact CD1-CD 4.36Å; L5-K9 HydrophobicContact CD1-CG 3.89Å; L5-W32 PolarHBondContact N-O 3.08Å; L5-R33 VanDerWaalsContact CD1-O 3.28Å; L5-R33 WeakPolarHBondContact CD1-O 3.43Å; L5-V34 HydrophobicContact CD2-CB 4.48Å; L5-V34 HydrophobicContact CD2-CG2 3.98Å; L5-V34 HydrophobicContact CG-CG2 4.3Å
6D94.3Very high89.7Confident162 Ų16295.8 Ų95.887%0.86651%0.508SS*.EExtended strand (participates in β ladder)trans-66.6-30.1172.8-61.4-35.5000112.4
7K94.9Very high90.2Very high156 Ų15691.4 Ų91.468%0.67849%0.491SS*.EExtended strand (participates in β ladder)trans-140.5146.9173.4-69-172.6-179.6-175.30109.4L5L5-K7 VanDerWaalsContact C-N 3.26Å; L5-K7 WeakPolarHBondContact CB-O 3.4Å; L5-K7 PolarHBondContact O-N 3.19Å
8P97.4Very high90.7Very high34 Ų3490.4 Ų90.422%0.22150%0.497CS..EExtended strand (participates in β ladder)trans-68.2142.4178.429.3-32.6000110.2T10 G31 W32 L280P8-T10 HydrophobicContact CB-CG2 4.42Å; P8-T10 HydrophobicContact CG-CG2 4.21Å; P8-T10 PolarHBondContact O-N 3.35Å; P8-G31 CarbonylContact C-O 3.59Å; P8-G31 VanDerWaalsContact CA-O 3.24Å; P8-G31 WeakPolarHBondContact CA-O 3.28Å; P8-W32 HydrophobicContact CB-CD2 3.95Å; P8-W32 HydrophobicContact CB-CG 4.06Å; P8-W32 HydrophobicContact CG-CD2 4.31Å; P8-W32 HydrophobicContact CG-CH2 4.49Å; P8-W32 HydrophobicContact CG-CZ2 3.98Å; P8-L280 HydrophobicContact CB-CD1 4.12Å; P8-L280 HydrophobicContact CB-CD2 4.43Å; P8-L280 HydrophobicContact CG-CD2 4.34Å
9K98.3Very high91.1Very high106 Ų10687.1 Ų87.146%0.46149%0.486SS..EExtended strand (participates in β ladder)trans-80.6109.4165.8-75.7-172.6-166167.60109L5 M29 Q30 G31L5-K9 HydrophobicContact CD1-CD 4.36Å; L5-K9 HydrophobicContact CD1-CG 3.89Å; K9-M29 VanDerWaalsContact O-CG 3.29Å; K9-M29 WeakPolarHBondContact O-CG 3.43Å; K9-Q30 HydrophobicContact CB-CB 4.19Å; K9-Q30 VanDerWaalsContact NZ-OE1 3.13Å; K9-G31 PolarHBondContact N-O 2.93Å; K9-G31 PolarHBondContact O-N 3.17Å; K9-G31 VanDerWaalsContact O-N 3.08Å
10T98.3Very high91.5Very high75 Ų7585.5 Ų85.546%0.4648%0.476SS..  trans-95.94.8-174.954.40000114.3P8 K12 M29 L280P8-T10 HydrophobicContact CB-CG2 4.42Å; P8-T10 HydrophobicContact CG-CG2 4.21Å; P8-T10 PolarHBondContact O-N 3.35Å; T10-K12 PolarHBondContact O-N 3.48Å; T10-K12 PolarHBondContact O-NZ 3.02Å; T10-M29 HydrophobicContact CG2-SD 4.47Å; T10-L280 HydrophobicContact CG2-CD2 3.89Å
11E98.6Very high91.8Very high133 Ų13384.2 Ų84.262%0.62148%0.483SS*.  trans-56.5134.3172.7-175.2178.317100110.5H13 M29E11-H13 IonicContact OE1-CE1 3.07Å; E11-M29 WeakPolarHBondContact O-CG 3.44Å
12K98.6Very high94.6Very high45 Ų4573.1 Ų73.120%0.19643%0.428CS..  trans-105130.6-180-58.3-61-171.2-67.60109.9T10 M29 N273 V276 D277T10-K12 PolarHBondContact O-N 3.48Å; T10-K12 PolarHBondContact O-NZ 3.02Å; K12-M29 HydrophobicContact CD-CB 4.06Å; K12-M29 HydrophobicContact CD-CG 4.29Å; K12-M29 HydrophobicContact CD-SD 4.09Å; K12-M29 PolarHBondContact NZ-SD 2.93Å; K12-N273 WeakPolarHBondContact CB-OD1 3.4Å; K12-N273 VanDerWaalsContact CG-OD1 3.31Å; K12-N273 WeakPolarHBondContact CG-OD1 3.48Å; K12-V276 HydrophobicContact CD-CG1 4.32Å; K12-D277 VanDerWaalsContact CE-OD1 3.25Å; K12-D277 WeakPolarHBondContact CE-OD1 3.44Å; K12-D277 IonicContact NZ-OD1 2.83Å; K12-D277 PolarHBondContact NZ-OD1 2.95Å; K12-D277 IonicContact NZ-OD2 3.46Å
13H98.8Very high96.6Very high96 Ų9675.5 Ų75.544%0.44442%0.42SS..EExtended strand (participates in β ladder)trans-101.3109.5166.1-59.3-78.7000108.5E11 S27 S28E11-H13 IonicContact OE1-CE1 3.07Å; H13-S27 WeakPolarHBondContact O-CA 3.3Å; H13-S28 PolarHBondContact N-O 3.41Å; H13-S28 PolarHBondContact O-N 3.26Å
14N98.9Very high97.7Very high58 Ų5873.4 Ų73.431%0.3140%0.397SS..EExtended strand (participates in β ladder)trans-111.1152.1-175.2-62-45000111.7L26 S27 E269 N273N14-L26 WeakPolarHBondContact CA-O 3.48Å; N14-L26 PolarHBondContact OD1-O 3.01Å; N14-S27 WeakPolarHBondContact OD1-CA 3.03Å; N14-S27 VanDerWaalsContact OD1-CB 3.28Å; N14-S27 WeakPolarHBondContact OD1-CB 3.2Å; N14-S27 PolarHBondContact OD1-OG 3.29Å; N14-E269 HydrophobicContact CB-CB 4.12Å; N14-E269 HydrophobicContact CB-CG 4.01Å; N14-N273 PolarHBondContact ND2-ND2 2.81Å; N14-N273 VanDerWaalsContact ND2-ND2 3.18Å; N14-N273 PolarHBondContact ND2-OD1 3.25Å; N14-N273 PolarHBondContact OD1-OD1 3.31Å
15A98.7Very high98Very high34 Ų3468.8 Ų68.828%0.28138%0.376SS..EExtended strand (participates in β ladder)trans-150156.2163.700000109.8G25 L26 E269A15-G25 CarbonylContact O-C 3.32Å; A15-G25 WeakPolarHBondContact O-CA 3.45Å; A15-L26 HydrophobicContact CB-CD1 3.96Å; A15-L26 HydrophobicContact CB-CD2 4.11Å; A15-L26 HydrophobicContact CB-CG 3.91Å; A15-L26 PolarHBondContact N-O 2.85Å; A15-L26 PolarHBondContact O-N 3.41Å; A15-E269 VanDerWaalsContact CA-OE1 3.24Å; A15-E269 WeakPolarHBondContact CA-OE1 3.47Å; A15-E269 PolarHBondContact N-OE1 3.42Å
16H98.8Very high98.2Very high126 Ų12666.7 Ų66.758%0.58337%0.366SS*.EExtended strand (participates in β ladder)trans-145.7166.7174.665.9-89.2000110.9Y24 E269H16-Y24 VanDerWaalsContact C-CZ 3.46Å; H16-Y24 VanDerWaalsContact CA-O 3.24Å; H16-Y24 WeakPolarHBondContact CA-O 3.24Å; H16-Y24 VanDerWaalsContact CB-O 3.25Å; H16-Y24 WeakPolarHBondContact CB-O 2.92Å; H16-Y24 PolarHBondContact O-OH 2.86Å; H16-E269 HydrophobicContact CB-CG 3.89Å; H16-E269 IonicContact CE1-OE1 3.79Å; H16-E269 IonicContact CG-OE1 3.53Å; H16-E269 PolarHBondContact N-OE1 3.37Å; H16-E269 VanDerWaalsContact ND1-CD 3.26Å; H16-E269 IonicContact ND1-OE1 2.71Å; H16-E269 PolarHBondContact ND1-OE1 3.14Å; H16-E269 IonicContact ND1-OE2 3.81Å
17G98.7Very high98.4Very high21 Ų2159 Ų5922%0.21633%0.325CS..EExtended strand (participates in β ladder)trans-174175.317400000112.3R23 Y24G17-R23 WeakPolarHBondContact O-CA 3.46Å; G17-Y24 VanDerWaalsContact N-CE1 3.35Å; G17-Y24 PolarHBondContact N-O 3.11Å; G17-Y24 VanDerWaalsContact N-O 3.12Å; G17-Y24 WeakPolarHBondContact O-CD1 3.43Å; G17-Y24 PolarHBondContact O-N 3.17Å
18A98.7Very high98.6Very high73 Ų7352 Ų5260%0.60330%0.295SS*.EExtended strand (participates in β ladder)trans-150.7153.4179.500000111.2L22 R23A18-L22 VanDerWaalsContact CA-O 3.26Å; A18-L22 WeakPolarHBondContact CA-O 3.2Å; A18-R23 HydrophobicContact CB-CG 4.05Å
19G98.5Very high98.7Very high28 Ų2850.4 Ų50.429%0.28929%0.285SS..EExtended strand (participates in β ladder)trans155165.417800000110.8G21 L22 V44G19-G21 PolarHBondContact O-N 3.17Å; G19-L22 PolarHBondContact N-O 3.27Å; G19-L22 WeakPolarHBondContact O-CA 3.36Å; G19-L22 WeakPolarHBondContact O-CB 3.36Å; G19-L22 PolarHBondContact O-N 3Å; G19-V44 VanDerWaalsContact C-CG1 3.43Å
20N98.3Very high98.7Very high55 Ų5546.6 Ų46.629%0.29427%0.268SS..THydrogen-bonded Turntrans53.729-178.7-60.6-11.3000114.4L22 V44 E51 D52 W53N20-L22 VanDerWaalsContact C-N 3.26Å; N20-L22 PolarHBondContact O-N 3.4Å; N20-V44 HydrophobicContact CB-CG1 4.21Å; N20-E51 PolarHBondContact ND2-O 3.02Å; N20-E51 PolarHBondContact OD1-O 3.43Å; N20-D52 VanDerWaalsContact ND2-C 3.34Å; N20-W53 PolarHBondContact ND2-O 3.35Å
21G98Very high98.7Very high59 Ų5943 Ų4361%0.60825%0.246SC*.THydrogen-bonded Turntrans72.915-175.300000114.5G19G19-G21 PolarHBondContact O-N 3.17Å
22L98.8Very high98.7Very high5 Ų539.9 Ų39.93%0.02623%0.229CC..EExtended strand (participates in β ladder)trans-114.8152.1179-50.5178.1000110.6A18 G19 N20 F56 I139 V293 C294 F295A18-L22 VanDerWaalsContact CA-O 3.26Å; A18-L22 WeakPolarHBondContact CA-O 3.2Å; G19-L22 PolarHBondContact N-O 3.27Å; G19-L22 WeakPolarHBondContact O-CA 3.36Å; G19-L22 WeakPolarHBondContact O-CB 3.36Å; G19-L22 PolarHBondContact O-N 3Å; N20-L22 VanDerWaalsContact C-N 3.26Å; N20-L22 PolarHBondContact O-N 3.4Å; L22-F56 HydrophobicContact CD1-CE2 4.26Å; L22-I139 HydrophobicContact CD1-CB 4.47Å; L22-I139 HydrophobicContact CD1-CD1 3.87Å; L22-I139 HydrophobicContact CD1-CG2 4.25Å; L22-V293 HydrophobicContact CB-CG1 4.42Å; L22-V293 HydrophobicContact CD1-CG1 4.34Å; L22-C294 WeakPolarHBondContact CA-O 3.37Å; L22-F295 HydrophobicContact CD2-CD1 3.41Å; L22-F295 VanDerWaalsContact CD2-CD1 3.41Å; L22-F295 HydrophobicContact CD2-CE1 3.56Å; L22-F295 HydrophobicContact CD2-CG 4.27Å
23R98.9Very high98.6Very high104 Ų10441.6 Ų41.639%0.39223%0.234SC..EExtended strand (participates in β ladder)trans-124.3146.8161.8-66173.163.8-138.11.2107.7G17 A18 D266 L268 V293 C294G17-R23 WeakPolarHBondContact O-CA 3.46Å; A18-R23 HydrophobicContact CB-CG 4.05Å; R23-D266 PolarHBondContact NH1-O 3.44Å; R23-D266 PolarHBondContact NH2-O 3.43Å; R23-L268 HydrophobicContact CB-CD1 3.71Å; R23-V293 CarbonylContact O-C 3.52Å; R23-C294 PolarHBondContact N-O 3.41Å; R23-C294 PolarHBondContact O-N 3.04Å
24Y98.9Very high98.6Very high29 Ų2939.7 Ų39.711%0.11423%0.229CC..EExtended strand (participates in β ladder)trans-137.3153.4171.376.2-88.3000111.6H16 G17 L26 A42 V44 F56 L268 L292H16-Y24 VanDerWaalsContact C-CZ 3.46Å; H16-Y24 VanDerWaalsContact CA-O 3.24Å; H16-Y24 WeakPolarHBondContact CA-O 3.24Å; H16-Y24 VanDerWaalsContact CB-O 3.25Å; H16-Y24 WeakPolarHBondContact CB-O 2.92Å; H16-Y24 PolarHBondContact O-OH 2.86Å; G17-Y24 VanDerWaalsContact N-CE1 3.35Å; G17-Y24 PolarHBondContact N-O 3.11Å; G17-Y24 VanDerWaalsContact N-O 3.12Å; G17-Y24 WeakPolarHBondContact O-CD1 3.43Å; G17-Y24 PolarHBondContact O-N 3.17Å; Y24-L26 HydrophobicContact CD2-CD2 4.42Å; Y24-L26 HydrophobicContact CE2-CD2 4.11Å; Y24-A42 HydrophobicContact CD2-CB 4.15Å; Y24-A42 HydrophobicContact CE2-CB 3.58Å; Y24-V44 HydrophobicContact CD1-CG2 4.04Å; Y24-V44 HydrophobicContact CE1-CG2 3.97Å; Y24-F56 AromaticContact CD1-CE1 3.47Å; Y24-F56 HydrophobicContact CD1-CE1 3.47Å; Y24-F56 VanDerWaalsContact CD1-CE1 3.47Å; Y24-F56 AromaticContact CD1-CZ 3.78Å; Y24-F56 HydrophobicContact CD1-CZ 3.78Å; Y24-F56 HydrophobicContact CD2-CE1 4.02Å; Y24-F56 AromaticContact CE1-CE1 3.97Å; Y24-F56 HydrophobicContact CE1-CE1 3.97Å; Y24-F56 HydrophobicContact CE1-CZ 4.45Å; Y24-F56 HydrophobicContact CE2-CE1 4.5Å; Y24-F56 HydrophobicContact CG-CD1 4.38Å; Y24-F56 AromaticContact CG-CE1 3.48Å; Y24-F56 HydrophobicContact CG-CE1 3.48Å; Y24-F56 VanDerWaalsContact CG-CE1 3.48Å; Y24-F56 HydrophobicContact CG-CZ 4.06Å; Y24-L268 VanDerWaalsContact C-CD1 3.48Å; Y24-L292 CarbonylContact C-O 3.48Å; Y24-L292 WeakPolarHBondContact CA-O 3.42Å; Y24-L292 WeakPolarHBondContact CB-O 3.4Å
25G98.9Very high98.5Very high0 Ų042.8 Ų42.80%024%0.242CC..EExtended strand (participates in β ladder)trans-132.2155162.300000108.6A15 C272 L292A15-G25 CarbonylContact O-C 3.32Å; A15-G25 WeakPolarHBondContact O-CA 3.45Å; G25-C272 PolarHBondContact O-SG 3.17Å; G25-L292 PolarHBondContact N-O 3.39Å; G25-L292 PolarHBondContact O-N 2.86Å
26L98.9Very high98.5Very high2 Ų243.4 Ų43.41%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-143.6156.5173.365.384.5000110.5N14 A15 Y24 H40 A42 I290 V291N14-L26 WeakPolarHBondContact CA-O 3.48Å; N14-L26 PolarHBondContact OD1-O 3.01Å; A15-L26 HydrophobicContact CB-CD1 3.96Å; A15-L26 HydrophobicContact CB-CD2 4.11Å; A15-L26 HydrophobicContact CB-CG 3.91Å; A15-L26 PolarHBondContact N-O 2.85Å; A15-L26 PolarHBondContact O-N 3.41Å; Y24-L26 HydrophobicContact CD2-CD2 4.42Å; Y24-L26 HydrophobicContact CE2-CD2 4.11Å; L26-H40 WeakPolarHBondContact CD1-NE2 3.24Å; L26-H40 VanDerWaalsContact CD2-CD2 3.5Å; L26-H40 WeakPolarHBondContact CD2-CD2 3.36Å; L26-A42 HydrophobicContact CD2-CB 3.82Å; L26-I290 WeakPolarHBondContact CA-O 3.45Å; L26-I290 VanDerWaalsContact CB-O 3.26Å; L26-I290 WeakPolarHBondContact CB-O 3.35Å; L26-V291 HydrophobicContact CB-CB 4.3Å; L26-V291 HydrophobicContact CB-CG1 4.42Å; L26-V291 HydrophobicContact CB-CG2 3.86Å; L26-V291 HydrophobicContact CD2-CG2 4.3Å
27S98.9Very high98.5Very high1 Ų138.8 Ų38.81%0.00722%0.218CC..EExtended strand (participates in β ladder)trans-143.2136173.9-174.20000109.2H13 N14 N273 S289 I290H13-S27 WeakPolarHBondContact O-CA 3.3Å; N14-S27 WeakPolarHBondContact OD1-CA 3.03Å; N14-S27 VanDerWaalsContact OD1-CB 3.28Å; N14-S27 WeakPolarHBondContact OD1-CB 3.2Å; N14-S27 PolarHBondContact OD1-OG 3.29Å; S27-N273 WeakPolarHBondContact CB-OD1 2.91Å; S27-N273 PolarHBondContact OG-OD1 3.5Å; S27-S289 WeakPolarHBondContact O-CA 3.32Å; S27-I290 PolarHBondContact N-O 3.08Å; S27-I290 PolarHBondContact O-N 3.39Å
28S98.9Very high98.5Very high9 Ų938.4 Ų38.46%0.06321%0.211CC..EExtended strand (participates in β ladder)trans-127.1145.7165.372.40000111.9H13 M288 S289H13-S28 PolarHBondContact N-O 3.41Å; H13-S28 PolarHBondContact O-N 3.26Å; S28-M288 CarbonylContact C-O 3.56Å; S28-M288 VanDerWaalsContact CA-O 3.24Å; S28-M288 WeakPolarHBondContact CA-O 2.81Å; S28-S289 VanDerWaalsContact CB-OG 3.25Å; S28-S289 WeakPolarHBondContact CB-OG 3.38Å
29M98.8Very high98.5Very high0 Ų035.3 Ų35.30%019%0.186CC..EExtended strand (participates in β ladder)trans-146.3135.2-176.4-174.7-17976.200110.7K9 T10 E11 K12 V276 L280 M288K9-M29 VanDerWaalsContact O-CG 3.29Å; K9-M29 WeakPolarHBondContact O-CG 3.43Å; T10-M29 HydrophobicContact CG2-SD 4.47Å; E11-M29 WeakPolarHBondContact O-CG 3.44Å; K12-M29 HydrophobicContact CD-CB 4.06Å; K12-M29 HydrophobicContact CD-CG 4.29Å; K12-M29 HydrophobicContact CD-SD 4.09Å; K12-M29 PolarHBondContact NZ-SD 2.93Å; M29-V276 HydrophobicContact CB-CG1 3.56Å; M29-V276 HydrophobicContact CE-CG1 3.44Å; M29-V276 VanDerWaalsContact CE-CG1 3.44Å; M29-V276 HydrophobicContact CG-CG1 4.23Å; M29-V276 HydrophobicContact SD-CG1 3.7Å; M29-L280 HydrophobicContact CE-CB 4Å; M29-L280 HydrophobicContact CE-CD1 4.17Å; M29-L280 HydrophobicContact CE-CD2 3.83Å; M29-L280 HydrophobicContact CE-CG 4.21Å; M29-M288 HydrophobicContact CE-CE 3.36Å; M29-M288 HydrophobicContact CE-SD 4.34Å; M29-M288 PolarHBondContact N-O 3.35Å; M29-M288 PolarHBondContact O-N 3.37Å
30Q98.8Very high98.5Very high25 Ų2537 Ų3712%0.11719%0.186CC..  trans-68.4-37.9-179.6-175.4178.4-37.900112.6K9 R33 V34 M36 N287K9-Q30 HydrophobicContact CB-CB 4.19Å; K9-Q30 VanDerWaalsContact NZ-OE1 3.13Å; Q30-R33 PolarHBondContact NE2-O 3.48Å; Q30-V34 PolarHBondContact NE2-O 3.45Å; Q30-M36 HydrophobicContact CB-CB 4.17Å; Q30-M36 HydrophobicContact CB-SD 4.2Å; Q30-M36 HydrophobicContact CG-CB 4.02Å; Q30-N287 PolarHBondContact O-ND2 2.93Å
31G98.4Very high98.6Very high0 Ų035 Ų350%018%0.176CC..EExtended strand (participates in β ladder)trans66.6-135.8178.700000112.1P8 K9P8-G31 CarbonylContact C-O 3.59Å; P8-G31 VanDerWaalsContact CA-O 3.24Å; P8-G31 WeakPolarHBondContact CA-O 3.28Å; K9-G31 PolarHBondContact N-O 2.93Å; K9-G31 PolarHBondContact O-N 3.17Å; K9-G31 VanDerWaalsContact O-N 3.08Å
32W98.3Very high98.6Very high67 Ų6733.4 Ų33.425%0.25416%0.157SC..EExtended strand (participates in β ladder)trans-84.6-14.9-173.4-72.695.9000114.6F4 L5 P8 R285F4-W32 CarbonylContact C-O 3.5Å; F4-W32 WeakPolarHBondContact CA-O 3.45Å; F4-W32 HydrophobicContact CD1-CB 4.01Å; L5-W32 PolarHBondContact N-O 3.08Å; P8-W32 HydrophobicContact CB-CD2 3.95Å; P8-W32 HydrophobicContact CB-CG 4.06Å; P8-W32 HydrophobicContact CG-CD2 4.31Å; P8-W32 HydrophobicContact CG-CH2 4.49Å; P8-W32 HydrophobicContact CG-CZ2 3.98Å; W32-R285 HydrophobicContact CB-CB 4.07Å; W32-R285 HydrophobicContact CG-CB 4.28Å; W32-R285 HydrophobicContact CG-CG 4.22Å
33R97.8Very high98.6Very high82 Ų8235.3 Ų35.331%0.30917%0.169SC..EExtended strand (participates in β ladder)trans-68149.7178.5-63.8-63.7-162.197.62.1110.6L5 Q30 E35 D286 N287L5-R33 VanDerWaalsContact CD1-O 3.28Å; L5-R33 WeakPolarHBondContact CD1-O 3.43Å; Q30-R33 PolarHBondContact NE2-O 3.48Å; R33-E35 VanDerWaalsContact C-N 3.33Å; R33-E35 WeakPolarHBondContact CB-O 3.43Å; R33-D286 WeakPolarHBondContact CG-OD1 3.47Å; R33-D286 IonicContact CZ-OD1 3.64Å; R33-D286 IonicContact CZ-OD2 2.65Å; R33-D286 IonicContact NE-OD1 3.55Å; R33-D286 PolarHBondContact NE-OD1 3.15Å; R33-D286 IonicContact NE-OD2 3.67Å; R33-D286 IonicContact NH1-OD1 3.21Å; R33-D286 IonicContact NH2-OD1 3.98Å; R33-D286 PolarHBondContact NH2-OD1 3.23Å; R33-D286 IonicContact NH2-OD2 3.97Å; R33-D286 PolarHBondContact NH2-OD2 3.45Å; R33-N287 WeakPolarHBondContact CB-ND2 3.24Å
34V97.6Very high98.6Very high56 Ų5632.3 Ų32.334%0.33916%0.162SC..SBendtrans-69.4-32.9175.5171.40000112.2A3 L5 Q30A3-V34 HydrophobicContact CB-CG2 3.75Å; A3-V34 WeakPolarHBondContact O-CG2 3.4Å; L5-V34 HydrophobicContact CD2-CB 4.48Å; L5-V34 HydrophobicContact CD2-CG2 3.98Å; L5-V34 HydrophobicContact CG-CG2 4.3Å; Q30-V34 PolarHBondContact NE2-O 3.45Å
35E97.7Very high98.5Very high123 Ų12332.2 Ų32.258%0.57517%0.17SC*.SBendtrans-115.5158179.3-58.6-58.415700111R33 E37 N287R33-E35 VanDerWaalsContact C-N 3.33Å; R33-E35 WeakPolarHBondContact CB-O 3.43Å; E35-E37 HydrophobicContact CB-CG 4.22Å; E35-N287 PolarHBondContact O-ND2 2.89Å; E35-N287 PolarHBondContact O-OD1 3.48Å
36M98.3Very high98.4Very high46 Ų4632.4 Ų32.423%0.22717%0.17CC..  trans-107107.6169.5-178.760.2172.900108.3Q30 D38 N287Q30-M36 HydrophobicContact CB-CB 4.17Å; Q30-M36 HydrophobicContact CB-SD 4.2Å; Q30-M36 HydrophobicContact CG-CB 4.02Å; M36-D38 HydrophobicContact CE-CB 3.6Å; M36-D38 HydrophobicContact SD-CB 4.23Å; M36-N287 HydrophobicContact SD-CB 3.86Å
37E98.6Very high97.9Very high30 Ų3035.8 Ų35.814%0.1419%0.193CC..  trans-104.9-11.9-175.3-56.9-168.6139.600113.3E35 G61 H62 A63 G64 A68 N287E35-E37 HydrophobicContact CB-CG 4.22Å; E37-G61 VanDerWaalsContact CB-O 3.26Å; E37-G61 WeakPolarHBondContact CB-O 3.4Å; E37-G61 WeakPolarHBondContact O-CA 3.32Å; E37-G61 PolarHBondContact O-N 3.24Å; E37-H62 WeakPolarHBondContact OE2-CA 3.39Å; E37-A63 PolarHBondContact OE2-N 3.4Å; E37-G64 WeakPolarHBondContact OE1-CA 3.49Å; E37-G64 PolarHBondContact OE1-N 3.45Å; E37-A68 WeakPolarHBondContact O-CB 3.48Å; E37-N287 PolarHBondContact N-OD1 3.38Å
38D98.8Very high97.3Very high13 Ų1344 Ų447%0.0723%0.231CC..  trans-69.5148.7175.6-81.27.8000113.6M36 Y59 D60 C242 S289M36-D38 HydrophobicContact CE-CB 3.6Å; M36-D38 HydrophobicContact SD-CB 4.23Å; D38-Y59 CarbonylContact C-O 2.93Å; D38-Y59 VanDerWaalsContact CA-O 3.29Å; D38-Y59 WeakPolarHBondContact CA-O 3.24Å; D38-D60 WeakPolarHBondContact OD1-CA 3.28Å; D38-C242 PolarHBondContact OD2-SG 3.08Å; D38-S289 WeakPolarHBondContact CB-OG 3.37Å; D38-S289 VanDerWaalsContact OD2-CB 3.22Å; D38-S289 WeakPolarHBondContact OD2-CB 3.32Å; D38-S289 PolarHBondContact OD2-N 2.97Å; D38-S289 PolarHBondContact OD2-OG 3.45Å
39A98.9Very high96.7Very high8 Ų845.7 Ų45.77%0.06625%0.249CC..EExtended strand (participates in β ladder)trans-139.7171.5168.100000111.5Y59 A68A39-Y59 HydrophobicContact CB-CD2 4.25Å; A39-Y59 PolarHBondContact N-O 3.09Å; A39-Y59 WeakPolarHBondContact O-CD2 3.41Å; A39-Y59 PolarHBondContact O-N 2.99Å; A39-A68 HydrophobicContact CB-CB 4.15Å
40H98.9Very high96.5Very high64 Ų6446.2 Ų46.230%0.29625%0.252SS..EExtended strand (participates in β ladder)trans-150.4158.817759-96.7000112.8L26 A57 S72L26-H40 WeakPolarHBondContact CD1-NE2 3.24Å; L26-H40 VanDerWaalsContact CD2-CD2 3.5Å; L26-H40 WeakPolarHBondContact CD2-CD2 3.36Å; H40-A57 CarbonylContact C-O 3.54Å; H40-A57 WeakPolarHBondContact CA-O 3.47Å; H40-A57 WeakPolarHBondContact CB-O 3.23Å; H40-S72 WeakPolarHBondContact O-CB 3.48Å
41T98.9Very high96.4Very high12 Ų1250 Ų507%0.07427%0.27CS..EExtended strand (participates in β ladder)trans-121.7133.9169.6-54.60000108.7V43 F55 F56 A57 Y59 S72T41-V43 HydrophobicContact CG2-CG2 3.93Å; T41-F55 HydrophobicContact CG2-CD1 3.65Å; T41-F55 HydrophobicContact CG2-CE1 3.89Å; T41-F56 CarbonylContact O-C 3.53Å; T41-F56 VanDerWaalsContact O-CA 3.26Å; T41-F56 WeakPolarHBondContact O-CA 3.38Å; T41-A57 PolarHBondContact N-O 3.09Å; T41-A57 PolarHBondContact O-N 3.37Å; T41-Y59 VanDerWaalsContact OG1-CE2 3.25Å; T41-Y59 WeakPolarHBondContact OG1-CE2 3.35Å; T41-Y59 PolarHBondContact OG1-OH 2.6Å; T41-S72 WeakPolarHBondContact OG1-CA 3.25Å; T41-S72 PolarHBondContact OG1-O 2.8Å
42A98.8Very high96.3Very high26 Ų2655.3 Ų55.322%0.21530%0.298CS..EExtended strand (participates in β ladder)trans-140.4106.2171.700000109.9Y24 L26 F56Y24-A42 HydrophobicContact CD2-CB 4.15Å; Y24-A42 HydrophobicContact CE2-CB 3.58Å; L26-A42 HydrophobicContact CD2-CB 3.82Å; A42-F56 HydrophobicContact CB-CD1 3.73Å; A42-F56 HydrophobicContact CB-CE1 3.93Å
43V98.8Very high96.3Very high45 Ų4553.4 Ų53.427%0.27329%0.291SS..EExtended strand (participates in β ladder)trans-131.5124.3-176.4177.70000109.5T41 I46 S54 F55 L76T41-V43 HydrophobicContact CG2-CG2 3.93Å; V43-I46 HydrophobicContact CG1-CG1 4.46Å; V43-S54 CarbonylContact O-C 3.58Å; V43-S54 VanDerWaalsContact O-CA 3.27Å; V43-S54 WeakPolarHBondContact O-CA 3.26Å; V43-S54 WeakPolarHBondContact O-CB 3.27Å; V43-F55 PolarHBondContact N-O 2.7Å; V43-F55 PolarHBondContact O-N 2.92Å; V43-L76 HydrophobicContact CB-CD2 4.4Å; V43-L76 HydrophobicContact CG1-CD2 4.48Å; V43-L76 HydrophobicContact CG2-CD2 4.33Å
44V98.6Very high96.4Very high41 Ų4149.6 Ų49.625%0.24828%0.277CS..EExtended strand (participates in β ladder)trans-111.9118.8169.6179.80000107.7G19 N20 Y24 F56G19-V44 VanDerWaalsContact C-CG1 3.43Å; N20-V44 HydrophobicContact CB-CG1 4.21Å; Y24-V44 HydrophobicContact CD1-CG2 4.04Å; Y24-V44 HydrophobicContact CE1-CG2 3.97Å; V44-F56 HydrophobicContact CG2-CE1 4.38Å; V44-F56 HydrophobicContact CG2-CZ 3.7Å
45G97.7Very high96.5Very high27 Ų2747 Ų4728%0.27826%0.261SS..EExtended strand (participates in β ladder)trans85.984.8-171.300000112.2E51 W53G45-E51 VanDerWaalsContact CA-O 3.22Å; G45-E51 WeakPolarHBondContact CA-O 3.4Å; G45-W53 VanDerWaalsContact CA-O 3.22Å; G45-W53 WeakPolarHBondContact CA-O 3.34Å; G45-W53 PolarHBondContact N-O 3.01Å
46I96.6Very high96.5Very high3 Ų341.2 Ų41.22%0.01523%0.234CC..EExtended strand (participates in β ladder)trans-72.1136.2177-57.6171.3000109V43 L50 E51 W53 F55 L76 T80 M138V43-I46 HydrophobicContact CG1-CG1 4.46Å; I46-L50 HydrophobicContact CB-CB 3.73Å; I46-L50 HydrophobicContact CG2-CB 3.94Å; I46-L50 HydrophobicContact CG2-CD1 3.95Å; I46-L50 PolarHBondContact N-O 3.13Å; I46-L50 CarbonylContact O-C 3.57Å; I46-L50 VanDerWaalsContact O-O 3.05Å; I46-E51 WeakPolarHBondContact O-CA 3.47Å; I46-E51 PolarHBondContact O-N 3Å; I46-E51 VanDerWaalsContact O-N 3.16Å; I46-W53 HydrophobicContact CB-CB 4.45Å; I46-W53 HydrophobicContact CD1-CB 3.69Å; I46-W53 HydrophobicContact CG1-CB 4.18Å; I46-W53 PolarHBondContact N-O 3.27Å; I46-W53 VanDerWaalsContact N-O 3.09Å; I46-F55 HydrophobicContact CD1-CB 4.03Å; I46-F55 HydrophobicContact CG1-CB 4.46Å; I46-L76 HydrophobicContact CD1-CD1 4.1Å; I46-L76 HydrophobicContact CG1-CD2 4.32Å; I46-L76 HydrophobicContact CG2-CD2 4.38Å; I46-T80 HydrophobicContact CG2-CG2 4.31Å; I46-M138 HydrophobicContact CD1-CE 3.72Å
47P88.8Confident96.6Very high74 Ų7439 Ų3948%0.48122%0.223SC..THydrogen-bonded Turntrans-63.1170.5179.7-23.434.3000114.4
48H86.1Confident96.6Very high174 Ų17437.6 Ų37.681%0.80622%0.217SC*.THydrogen-bonded Turntrans66.544.5167.8-51.8-62000115.4
49G86.7Confident96.6Very high44 Ų4437 Ų3745%0.45421%0.213SC..THydrogen-bonded Turntrans92.212175.900000114.3E51G49-E51 WeakPolarHBondContact CA-OE2 3.44Å; G49-E51 PolarHBondContact N-OE1 2.71Å; G49-E51 PolarHBondContact N-OE2 3.02Å
50L94.6Very high96.6Very high10 Ų1037.4 Ų37.45%0.05221%0.214CC..EExtended strand (participates in β ladder)trans-119.329.3177.4-61.7172.1000111I46 D52 W53 T80 F85 L97I46-L50 HydrophobicContact CB-CB 3.73Å; I46-L50 HydrophobicContact CG2-CB 3.94Å; I46-L50 HydrophobicContact CG2-CD1 3.95Å; I46-L50 PolarHBondContact N-O 3.13Å; I46-L50 CarbonylContact O-C 3.57Å; I46-L50 VanDerWaalsContact O-O 3.05Å; L50-D52 PolarHBondContact O-N 3.11Å; L50-D52 VanDerWaalsContact O-N 3.15Å; L50-W53 HydrophobicContact CB-CB 4.15Å; L50-W53 HydrophobicContact CB-CG 4.1Å; L50-W53 HydrophobicContact CD2-CD2 4.06Å; L50-W53 HydrophobicContact CD2-CG 4.08Å; L50-W53 HydrophobicContact CD2-CZ2 4.44Å; L50-W53 WeakPolarHBondContact O-CA 3.43Å; L50-W53 VanDerWaalsContact O-CB 3.27Å; L50-W53 WeakPolarHBondContact O-CB 3.41Å; L50-W53 PolarHBondContact O-N 3.18Å; L50-T80 HydrophobicContact CD1-CG2 3.93Å; L50-F85 HydrophobicContact CD1-CE1 3.77Å; L50-F85 HydrophobicContact CD1-CZ 4.12Å; L50-L97 HydrophobicContact CD2-CD1 3.65Å
51E96.4Very high96.6Very high105 Ų10534.5 Ų34.549%0.49120%0.202SC..EExtended strand (participates in β ladder)trans-63.6-24.4-173.9-64.475.3-163.700112.2N20 G45 I46 G49 W53N20-E51 PolarHBondContact ND2-O 3.02Å; N20-E51 PolarHBondContact OD1-O 3.43Å; G45-E51 VanDerWaalsContact CA-O 3.22Å; G45-E51 WeakPolarHBondContact CA-O 3.4Å; I46-E51 WeakPolarHBondContact O-CA 3.47Å; I46-E51 PolarHBondContact O-N 3Å; I46-E51 VanDerWaalsContact O-N 3.16Å; G49-E51 WeakPolarHBondContact CA-OE2 3.44Å; G49-E51 PolarHBondContact N-OE1 2.71Å; G49-E51 PolarHBondContact N-OE2 3.02Å; E51-W53 VanDerWaalsContact C-N 3.27Å; E51-W53 PolarHBondContact O-N 3.44Å
52D96.8Very high96.5Very high112 Ų11235.6 Ų35.660%0.59921%0.206SC*.EExtended strand (participates in β ladder)trans-86.15.8173.4-61.3-47.2000113.6N20 L50 P141N20-D52 VanDerWaalsContact ND2-C 3.34Å; L50-D52 PolarHBondContact O-N 3.11Å; L50-D52 VanDerWaalsContact O-N 3.15Å; D52-P141 HydrophobicContact CB-CG 3.8Å
53W98.3Very high96.4Very high27 Ų2737.6 Ų37.610%0.10222%0.223CC..EExtended strand (participates in β ladder)trans-106.5154.9177.6-62.955.7000111N20 G45 I46 L50 E51 L97 V102 M138 I139 S140 Y145N20-W53 PolarHBondContact ND2-O 3.35Å; G45-W53 VanDerWaalsContact CA-O 3.22Å; G45-W53 WeakPolarHBondContact CA-O 3.34Å; G45-W53 PolarHBondContact N-O 3.01Å; I46-W53 HydrophobicContact CB-CB 4.45Å; I46-W53 HydrophobicContact CD1-CB 3.69Å; I46-W53 HydrophobicContact CG1-CB 4.18Å; I46-W53 PolarHBondContact N-O 3.27Å; I46-W53 VanDerWaalsContact N-O 3.09Å; L50-W53 HydrophobicContact CB-CB 4.15Å; L50-W53 HydrophobicContact CB-CG 4.1Å; L50-W53 HydrophobicContact CD2-CD2 4.06Å; L50-W53 HydrophobicContact CD2-CG 4.08Å; L50-W53 HydrophobicContact CD2-CZ2 4.44Å; L50-W53 WeakPolarHBondContact O-CA 3.43Å; L50-W53 VanDerWaalsContact O-CB 3.27Å; L50-W53 WeakPolarHBondContact O-CB 3.41Å; L50-W53 PolarHBondContact O-N 3.18Å; E51-W53 VanDerWaalsContact C-N 3.27Å; E51-W53 PolarHBondContact O-N 3.44Å; W53-L97 HydrophobicContact CH2-CB 4.42Å; W53-L97 HydrophobicContact CH2-CD1 4.05Å; W53-L97 HydrophobicContact CZ2-CB 4.39Å; W53-L97 HydrophobicContact CZ2-CD1 3.95Å; W53-V102 HydrophobicContact CH2-CG2 3.77Å; W53-V102 HydrophobicContact CZ3-CG2 4.13Å; W53-M138 HydrophobicContact CE3-CG 3.78Å; W53-M138 HydrophobicContact CE3-SD 4.03Å; W53-M138 HydrophobicContact CZ3-CG 4.05Å; W53-M138 HydrophobicContact CZ3-SD 3.95Å; W53-I139 CarbonylContact C-O 3.5Å; W53-I139 WeakPolarHBondContact CA-O 3.34Å; W53-S140 VanDerWaalsContact CE2-CB 3.48Å; W53-S140 VanDerWaalsContact CZ2-CB 3.45Å; W53-Y145 HydrophobicContact CH2-CE2 4.13Å; W53-Y145 HydrophobicContact CZ3-CD2 4.35Å; W53-Y145 AromaticContact CZ3-CE2 3.97Å; W53-Y145 HydrophobicContact CZ3-CE2 3.97Å
54S98.9Very high96.3Very high1 Ų136.2 Ų36.21%0.00722%0.218CC..EExtended strand (participates in β ladder)trans-132.7153.1176.2-54.30000110.2V43 I139V43-S54 CarbonylContact O-C 3.58Å; V43-S54 VanDerWaalsContact O-CA 3.27Å; V43-S54 WeakPolarHBondContact O-CA 3.26Å; V43-S54 WeakPolarHBondContact O-CB 3.27Å; S54-I139 PolarHBondContact N-O 3.22Å; S54-I139 PolarHBondContact O-N 2.91Å
55F98.9Very high96.2Very high3 Ų336.3 Ų36.31%0.01322%0.22CC..EExtended strand (participates in β ladder)trans-137.9129.5177.6179.7-104.7000110.8T41 V43 I46 A57 L76 V137 M138 I147T41-F55 HydrophobicContact CG2-CD1 3.65Å; T41-F55 HydrophobicContact CG2-CE1 3.89Å; V43-F55 PolarHBondContact N-O 2.7Å; V43-F55 PolarHBondContact O-N 2.92Å; I46-F55 HydrophobicContact CD1-CB 4.03Å; I46-F55 HydrophobicContact CG1-CB 4.46Å; F55-A57 HydrophobicContact CE1-CB 3.83Å; F55-A57 HydrophobicContact CZ-CB 3.77Å; F55-L76 HydrophobicContact CB-CD1 3.84Å; F55-L76 HydrophobicContact CB-CD2 4.01Å; F55-L76 HydrophobicContact CD1-CB 3.99Å; F55-L76 HydrophobicContact CD1-CD1 3.94Å; F55-L76 HydrophobicContact CD1-CD2 4Å; F55-L76 HydrophobicContact CD1-CG 4.2Å; F55-L76 HydrophobicContact CD2-CD1 4.12Å; F55-L76 HydrophobicContact CE1-CB 4.13Å; F55-L76 HydrophobicContact CG-CD1 3.7Å; F55-L76 HydrophobicContact CG-CD2 4.26Å; F55-L76 HydrophobicContact CG-CG 4.4Å; F55-V137 WeakPolarHBondContact CA-O 3.47Å; F55-V137 WeakPolarHBondContact CD2-O 3.34Å; F55-M138 HydrophobicContact CD2-CB 4.15Å; F55-I147 HydrophobicContact CE2-CD1 4.15Å
56F98.9Very high96.2Very high0 Ų038.8 Ų38.80%022%0.221CC..EExtended strand (participates in β ladder)trans-130.8139.7176.3-58.7-83.9000109.3L22 Y24 T41 A42 V44 G136 V137 I139 L240 V291 V293L22-F56 HydrophobicContact CD1-CE2 4.26Å; Y24-F56 AromaticContact CD1-CE1 3.47Å; Y24-F56 HydrophobicContact CD1-CE1 3.47Å; Y24-F56 VanDerWaalsContact CD1-CE1 3.47Å; Y24-F56 AromaticContact CD1-CZ 3.78Å; Y24-F56 HydrophobicContact CD1-CZ 3.78Å; Y24-F56 HydrophobicContact CD2-CE1 4.02Å; Y24-F56 AromaticContact CE1-CE1 3.97Å; Y24-F56 HydrophobicContact CE1-CE1 3.97Å; Y24-F56 HydrophobicContact CE1-CZ 4.45Å; Y24-F56 HydrophobicContact CE2-CE1 4.5Å; Y24-F56 HydrophobicContact CG-CD1 4.38Å; Y24-F56 AromaticContact CG-CE1 3.48Å; Y24-F56 HydrophobicContact CG-CE1 3.48Å; Y24-F56 VanDerWaalsContact CG-CE1 3.48Å; Y24-F56 HydrophobicContact CG-CZ 4.06Å; T41-F56 CarbonylContact O-C 3.53Å; T41-F56 VanDerWaalsContact O-CA 3.26Å; T41-F56 WeakPolarHBondContact O-CA 3.38Å; A42-F56 HydrophobicContact CB-CD1 3.73Å; A42-F56 HydrophobicContact CB-CE1 3.93Å; V44-F56 HydrophobicContact CG2-CE1 4.38Å; V44-F56 HydrophobicContact CG2-CZ 3.7Å; F56-G136 CarbonylContact O-C 3.52Å; F56-G136 WeakPolarHBondContact O-CA 3.47Å; F56-V137 HydrophobicContact CB-CG2 4.06Å; F56-V137 HydrophobicContact CD2-CG2 4.17Å; F56-V137 PolarHBondContact N-O 2.76Å; F56-V137 PolarHBondContact O-N 3.45Å; F56-I139 HydrophobicContact CD2-CD1 4.26Å; F56-I139 HydrophobicContact CE2-CD1 4.27Å; F56-L240 HydrophobicContact CB-CD1 4.21Å; F56-V291 HydrophobicContact CB-CG1 4.26Å; F56-V291 HydrophobicContact CD1-CG1 3.97Å; F56-V291 HydrophobicContact CG-CG1 4.38Å; F56-V293 HydrophobicContact CB-CG2 4.31Å; F56-V293 HydrophobicContact CD1-CG2 4.05Å; F56-V293 HydrophobicContact CD2-CG1 4.37Å; F56-V293 HydrophobicContact CD2-CG2 3.66Å; F56-V293 HydrophobicContact CE1-CG2 4.28Å; F56-V293 HydrophobicContact CE2-CG1 3.92Å; F56-V293 HydrophobicContact CE2-CG2 3.9Å; F56-V293 HydrophobicContact CG-CG2 3.73Å; F56-V293 HydrophobicContact CZ-CG1 4.34Å; F56-V293 HydrophobicContact CZ-CG2 4.19Å
57A99Very high96.3Very high1 Ų138.7 Ų38.71%0.00822%0.22CC..EExtended strand (participates in β ladder)trans-153.5150.8177.200000112.7H40 T41 F55 Y59 V135H40-A57 CarbonylContact C-O 3.54Å; H40-A57 WeakPolarHBondContact CA-O 3.47Å; H40-A57 WeakPolarHBondContact CB-O 3.23Å; T41-A57 PolarHBondContact N-O 3.09Å; T41-A57 PolarHBondContact O-N 3.37Å; F55-A57 HydrophobicContact CE1-CB 3.83Å; F55-A57 HydrophobicContact CZ-CB 3.77Å; A57-Y59 HydrophobicContact CB-CE1 4.17Å; A57-Y59 HydrophobicContact CB-CE2 3.8Å; A57-Y59 WeakPolarHBondContact CB-OH 3.47Å; A57-V135 CarbonylContact C-O 3.48Å; A57-V135 WeakPolarHBondContact CA-O 3.17Å; A57-V135 WeakPolarHBondContact CB-O 3.25Å
58V98.9Very high96.8Very high0 Ų035.1 Ų35.10%020%0.197CC..EExtended strand (participates in β ladder)trans-117.3138.3168.5174.70000107.9V135 L240 C242 V291V58-V135 HydrophobicContact CB-CG1 4.07Å; V58-V135 PolarHBondContact N-O 3.4Å; V58-V135 PolarHBondContact O-N 2.99Å; V58-L240 HydrophobicContact CG2-CB 4.03Å; V58-C242 HydrophobicContact CG1-CB 4.22Å; V58-V291 HydrophobicContact CG2-CG2 3.81Å
59Y98.9Very high97.4Very high0 Ų030.4 Ų30.40%018%0.178CC..EExtended strand (participates in β ladder)trans-125.7114.7179.6-48.1-87.1000107.6D38 A39 T41 A57 C71 L75 A134D38-Y59 CarbonylContact C-O 2.93Å; D38-Y59 VanDerWaalsContact CA-O 3.29Å; D38-Y59 WeakPolarHBondContact CA-O 3.24Å; A39-Y59 HydrophobicContact CB-CD2 4.25Å; A39-Y59 PolarHBondContact N-O 3.09Å; A39-Y59 WeakPolarHBondContact O-CD2 3.41Å; A39-Y59 PolarHBondContact O-N 2.99Å; T41-Y59 VanDerWaalsContact OG1-CE2 3.25Å; T41-Y59 WeakPolarHBondContact OG1-CE2 3.35Å; T41-Y59 PolarHBondContact OG1-OH 2.6Å; A57-Y59 HydrophobicContact CB-CE1 4.17Å; A57-Y59 HydrophobicContact CB-CE2 3.8Å; A57-Y59 WeakPolarHBondContact CB-OH 3.47Å; Y59-C71 HydrophobicContact CD1-CB 3.66Å; Y59-C71 HydrophobicContact CE1-CB 3.7Å; Y59-C71 HydrophobicContact CG-CB 4.31Å; Y59-C71 PolarHBondContact OH-O 2.99Å; Y59-L75 HydrophobicContact CE1-CD2 3.72Å; Y59-A134 HydrophobicContact CD1-CB 3.7Å; Y59-A134 HydrophobicContact CE1-CB 3.86Å
60D98.9Very high97.9Very high16 Ų1630.1 Ų30.19%0.08616%0.163CC..  trans-93.4112.2175.6-173-24.5000107.5D38 S132 T133 S152 C242D38-D60 WeakPolarHBondContact OD1-CA 3.28Å; D60-S132 VanDerWaalsContact C-OG 3.3Å; D60-S132 CarbonylContact O-C 3.56Å; D60-S132 WeakPolarHBondContact O-CA 3.48Å; D60-S132 WeakPolarHBondContact O-CB 3.44Å; D60-S132 PolarHBondContact O-OG 2.84Å; D60-T133 HydrophobicContact CB-CG2 3.98Å; D60-T133 WeakPolarHBondContact CB-OG1 3.3Å; D60-T133 PolarHBondContact N-OG1 3.17Å; D60-T133 PolarHBondContact O-N 3.07Å; D60-S152 WeakPolarHBondContact CB-OG 3.42Å; D60-C242 HydrophobicContact CB-CB 3.94Å; D60-C242 WeakPolarHBondContact OD2-CB 3.2Å
61G98.6Very high98.1Very high3 Ų329.6 Ų29.63%0.03116%0.161CC..EExtended strand (participates in β ladder)trans-88.7145.1-177.700000110.9E37E37-G61 VanDerWaalsContact CB-O 3.26Å; E37-G61 WeakPolarHBondContact CB-O 3.4Å; E37-G61 WeakPolarHBondContact O-CA 3.32Å; E37-G61 PolarHBondContact O-N 3.24Å
62H98.1Very high98.3Very high35 Ų3525.6 Ų25.616%0.16215%0.145CC..EExtended strand (participates in β ladder)trans-136.3143.2173.156.5-104.3000111.5E37 G64 S130 G131 D204E37-H62 WeakPolarHBondContact OE2-CA 3.39Å; H62-G64 VanDerWaalsContact C-N 3.27Å; H62-G64 PolarHBondContact O-N 2.92Å; H62-S130 CarbonylContact O-C 3.55Å; H62-S130 WeakPolarHBondContact O-CA 3.43Å; H62-S130 WeakPolarHBondContact O-CB 3.39Å; H62-G131 PolarHBondContact N-O 2.92Å; H62-G131 VanDerWaalsContact NE2-CA 3.34Å; H62-G131 WeakPolarHBondContact NE2-CA 3.5Å; H62-G131 PolarHBondContact O-N 3.46Å; H62-D204 IonicContact CD2-OD1 3.21Å; H62-D204 IonicContact CE1-OD1 2.66Å; H62-D204 IonicContact CE1-OD2 2.83Å; H62-D204 PolarHBondContact CE1-OD2 2.96Å; H62-D204 VanDerWaalsContact CE1-OD2 3.26Å; H62-D204 IonicContact NE2-OD1 3.17Å; H62-D204 PolarHBondContact NE2-OD1 3.37Å; H62-D204 IonicContact NE2-OD2 3Å; H62-D204 PolarHBondContact NE2-OD2 3.43Å
63A96.3Very high98.3Very high69 Ų6924.8 Ų24.857%0.5714%0.143SC*.SBendtrans59.936.6-17900000113.3E37 S130E37-A63 PolarHBondContact OE2-N 3.4Å; A63-S130 WeakPolarHBondContact O-CA 3.5Å; A63-S130 WeakPolarHBondContact O-CB 3.17Å; A63-S130 PolarHBondContact O-N 3.48Å
64G96Very high98.4Very high16 Ų1626.2 Ų26.217%0.16515%0.151CC..SBendtrans122.9154.1-176.600000111.9E37 H62 S130E37-G64 WeakPolarHBondContact OE1-CA 3.49Å; E37-G64 PolarHBondContact OE1-N 3.45Å; H62-G64 VanDerWaalsContact C-N 3.27Å; H62-G64 PolarHBondContact O-N 2.92Å; G64-S130 WeakPolarHBondContact O-CB 3.43Å
65S96.9Very high98.4Very high43 Ų4326.3 Ų26.330%0.30115%0.152SC..SBendtrans-93.90.3-178.761.70000114V67 A68 N69S65-V67 PolarHBondContact O-N 3.36Å; S65-A68 PolarHBondContact O-N 2.83Å; S65-N69 WeakPolarHBondContact CB-ND2 3.41Å; S65-N69 VanDerWaalsContact O-CB 3.26Å; S65-N69 WeakPolarHBondContact O-CB 3.46Å; S65-N69 PolarHBondContact O-N 3.49Å; S65-N69 PolarHBondContact O-ND2 3.44Å; S65-N69 VanDerWaalsContact O-ND2 3.08Å; S65-N69 PolarHBondContact OG-ND2 2.97Å
66R97.6Very high98.3Very high79 Ų7927.2 Ų27.230%0.29816%0.156SC..Hα-helixtrans-62.6-47.5-170-175.9179.8-171.8135.1-4.5112.8Y70 D122 D128R66-Y70 PolarHBondContact O-N 3.18Å; R66-D122 IonicContact CZ-OD2 3.63Å; R66-D122 VanDerWaalsContact NH1-CB 3.31Å; R66-D122 IonicContact NH1-OD2 3.26Å; R66-D122 PolarHBondContact NH1-OD2 2.95Å; R66-D122 IonicContact NH2-OD2 2.81Å; R66-D122 PolarHBondContact NH2-OD2 3.03Å; R66-D128 WeakPolarHBondContact CB-OD2 3.24Å
67V98.6Very high98.3Very high0 Ų032.4 Ų32.40%018%0.181CC..Hα-helixtrans-66.5-46.4179.8171.50000110.7S65 N69 Y70 C71 M117 L123 S130 L202S65-V67 PolarHBondContact O-N 3.36Å; V67-N69 PolarHBondContact O-N 3.18Å; V67-Y70 PolarHBondContact O-N 2.92Å; V67-C71 WeakPolarHBondContact O-CB 3.47Å; V67-C71 PolarHBondContact O-N 3.47Å; V67-C71 PolarHBondContact O-SG 3.45Å; V67-M117 HydrophobicContact CG1-CE 3.91Å; V67-M117 HydrophobicContact CG1-SD 4.19Å; V67-M117 HydrophobicContact CG2-SD 4.44Å; V67-L123 HydrophobicContact CG2-CD1 4.08Å; V67-L123 HydrophobicContact CG2-CD2 4.25Å; V67-S130 WeakPolarHBondContact CG2-O 3.45Å; V67-S130 WeakPolarHBondContact CG2-OG 3.34Å; V67-S130 PolarHBondContact N-OG 2.98Å; V67-L202 HydrophobicContact CG1-CB 3.98Å
68A98.7Very high98.3Very high0 Ų033.9 Ų33.90%019%0.187CC..Hα-helixtrans-57-48.1177.100000112E37 A39 S65 Y70 C71 S72 S132E37-A68 WeakPolarHBondContact O-CB 3.48Å; A39-A68 HydrophobicContact CB-CB 4.15Å; S65-A68 PolarHBondContact O-N 2.83Å; A68-Y70 PolarHBondContact O-N 3.23Å; A68-C71 PolarHBondContact O-N 3.42Å; A68-S72 PolarHBondContact O-N 3.49Å; A68-S132 WeakPolarHBondContact CB-OG 3.3Å
69N98.7Very high98.3Very high75 Ų7533.9 Ų33.940%0.40119%0.188SC..Hα-helixtrans-64-36.9178.9-75.1-31.6000113.5S65 V67 S72 T73S65-N69 WeakPolarHBondContact CB-ND2 3.41Å; S65-N69 VanDerWaalsContact O-CB 3.26Å; S65-N69 WeakPolarHBondContact O-CB 3.46Å; S65-N69 PolarHBondContact O-N 3.49Å; S65-N69 PolarHBondContact O-ND2 3.44Å; S65-N69 VanDerWaalsContact O-ND2 3.08Å; S65-N69 PolarHBondContact OG-ND2 2.97Å; V67-N69 PolarHBondContact O-N 3.18Å; N69-S72 PolarHBondContact O-OG 3.17Å; N69-T73 PolarHBondContact O-OG1 2.92Å
70Y98.7Very high98.2Very high37 Ų3735 Ų3515%0.14519%0.194CC..Hα-helixtrans-70.5-42.3176.2-168.2-94.1000111R66 V67 A68 S72 T73 H74 I113 Y116 M117 F120R66-Y70 PolarHBondContact O-N 3.18Å; V67-Y70 PolarHBondContact O-N 2.92Å; A68-Y70 PolarHBondContact O-N 3.23Å; Y70-S72 PolarHBondContact O-N 2.92Å; Y70-T73 PolarHBondContact O-N 3.29Å; Y70-T73 PolarHBondContact O-OG1 3Å; Y70-H74 HydrophobicContact CD1-CB 4.22Å; Y70-H74 AromaticContact CD2-CE1 3.79Å; Y70-H74 AromaticContact CD2-ND1 3.55Å; Y70-H74 HydrophobicContact CE1-CB 3.74Å; Y70-H74 AromaticContact CE1-CG 3.87Å; Y70-H74 AromaticContact CE2-CE1 3.53Å; Y70-H74 AromaticContact CE2-CG 3.79Å; Y70-H74 AromaticContact CE2-ND1 3.42Å; Y70-H74 WeakPolarHBondContact CE2-ND1 3.31Å; Y70-H74 AromaticContact CE2-NE2 3.9Å; Y70-H74 AromaticContact CG-ND1 3.88Å; Y70-H74 AromaticContact CZ-CD2 3.9Å; Y70-H74 AromaticContact CZ-CG 3.54Å; Y70-H74 AromaticContact CZ-ND1 3.65Å; Y70-H74 WeakPolarHBondContact O-CB 3.46Å; Y70-H74 PolarHBondContact O-N 3.4Å; Y70-H74 PolarHBondContact O-ND1 2.65Å; Y70-I113 HydrophobicContact CD1-CD1 3.94Å; Y70-I113 HydrophobicContact CD1-CG1 4.06Å; Y70-I113 HydrophobicContact CE1-CD1 3.94Å; Y70-I113 HydrophobicContact CE1-CG1 3.86Å; Y70-Y116 AromaticContact CE1-CD1 3.87Å; Y70-Y116 HydrophobicContact CE1-CD1 3.87Å; Y70-Y116 HydrophobicContact CE1-CE1 4.02Å; Y70-Y116 HydrophobicContact CE2-CE1 4.23Å; Y70-Y116 AromaticContact CZ-CD1 3.83Å; Y70-Y116 AromaticContact CZ-CE1 3.48Å; Y70-Y116 VanDerWaalsContact CZ-CE1 3.48Å; Y70-Y116 WeakPolarHBondContact OH-CD1 3.47Å; Y70-Y116 WeakPolarHBondContact OH-CE1 3.28Å; Y70-M117 HydrophobicContact CD1-CG 3.42Å; Y70-M117 VanDerWaalsContact CD1-CG 3.42Å; Y70-M117 HydrophobicContact CD1-SD 3.42Å; Y70-M117 WeakPolarHBondContact CD1-SD 3.42Å; Y70-M117 HydrophobicContact CE1-CG 3.83Å; Y70-M117 HydrophobicContact CE1-SD 4.36Å; Y70-M117 HydrophobicContact CG-CG 4.11Å; Y70-M117 HydrophobicContact CG-SD 3.92Å; Y70-F120 HydrophobicContact CD1-CE2 4.3Å; Y70-F120 HydrophobicContact CD1-CZ 4.18Å; Y70-F120 AromaticContact CD2-CE2 3.88Å; Y70-F120 HydrophobicContact CD2-CE2 3.88Å; Y70-F120 AromaticContact CD2-CZ 3.71Å; Y70-F120 HydrophobicContact CD2-CZ 3.71Å; Y70-F120 HydrophobicContact CE1-CZ 4.05Å; Y70-F120 HydrophobicContact CE2-CE2 4.24Å; Y70-F120 AromaticContact CE2-CZ 3.59Å; Y70-F120 HydrophobicContact CE2-CZ 3.59Å; Y70-F120 AromaticContact CG-CE2 3.93Å; Y70-F120 HydrophobicContact CG-CE2 3.93Å; Y70-F120 HydrophobicContact CG-CZ 4.02Å; Y70-F120 AromaticContact CZ-CZ 3.79Å
71C98.8Very high98Very high0 Ų037.2 Ų37.20%021%0.209CC..Hα-helixtrans-61.2-42.4177.3-690000112.4Y59 V67 A68 T73 H74 L75 L202Y59-C71 HydrophobicContact CD1-CB 3.66Å; Y59-C71 HydrophobicContact CE1-CB 3.7Å; Y59-C71 HydrophobicContact CG-CB 4.31Å; Y59-C71 PolarHBondContact OH-O 2.99Å; V67-C71 WeakPolarHBondContact O-CB 3.47Å; V67-C71 PolarHBondContact O-N 3.47Å; V67-C71 PolarHBondContact O-SG 3.45Å; A68-C71 PolarHBondContact O-N 3.42Å; C71-T73 PolarHBondContact O-N 2.9Å; C71-T73 VanDerWaalsContact O-N 3.12Å; C71-H74 PolarHBondContact O-N 3.25Å; C71-L75 WeakPolarHBondContact O-CB 3.46Å; C71-L75 PolarHBondContact O-N 3.21Å; C71-L202 WeakPolarHBondContact SG-CD1 3.48Å
72S98.8Very high97.9Very high21 Ų2137.4 Ų37.415%0.14721%0.209CC..Hα-helixtrans-63.6-17.4-179.569.40000114.7H40 T41 A68 N69 Y70H40-S72 WeakPolarHBondContact O-CB 3.48Å; T41-S72 WeakPolarHBondContact OG1-CA 3.25Å; T41-S72 PolarHBondContact OG1-O 2.8Å; A68-S72 PolarHBondContact O-N 3.49Å; N69-S72 PolarHBondContact O-OG 3.17Å; Y70-S72 PolarHBondContact O-N 2.92Å
73T98.5Very high97.7Very high94 Ų9441 Ų4158%0.57723%0.226SC*.Hα-helixtrans-111.3-22.9-178.243.70000113.1N69 Y70 C71N69-T73 PolarHBondContact O-OG1 2.92Å; Y70-T73 PolarHBondContact O-N 3.29Å; Y70-T73 PolarHBondContact O-OG1 3Å; C71-T73 PolarHBondContact O-N 2.9Å; C71-T73 VanDerWaalsContact O-N 3.12Å
74H98.8Very high97.7Very high58 Ų5840.5 Ų40.527%0.26921%0.213SC..Hα-helixtrans-126.7-14.1-170.3-54.584.2000115Y70 C71 L76 E77 H78 I113Y70-H74 HydrophobicContact CD1-CB 4.22Å; Y70-H74 AromaticContact CD2-CE1 3.79Å; Y70-H74 AromaticContact CD2-ND1 3.55Å; Y70-H74 HydrophobicContact CE1-CB 3.74Å; Y70-H74 AromaticContact CE1-CG 3.87Å; Y70-H74 AromaticContact CE2-CE1 3.53Å; Y70-H74 AromaticContact CE2-CG 3.79Å; Y70-H74 AromaticContact CE2-ND1 3.42Å; Y70-H74 WeakPolarHBondContact CE2-ND1 3.31Å; Y70-H74 AromaticContact CE2-NE2 3.9Å; Y70-H74 AromaticContact CG-ND1 3.88Å; Y70-H74 AromaticContact CZ-CD2 3.9Å; Y70-H74 AromaticContact CZ-CG 3.54Å; Y70-H74 AromaticContact CZ-ND1 3.65Å; Y70-H74 WeakPolarHBondContact O-CB 3.46Å; Y70-H74 PolarHBondContact O-N 3.4Å; Y70-H74 PolarHBondContact O-ND1 2.65Å; C71-H74 PolarHBondContact O-N 3.25Å; H74-L76 VanDerWaalsContact C-N 3.34Å; H74-L76 PolarHBondContact O-N 2.96Å; H74-E77 PolarHBondContact O-N 3.26Å; H74-H78 PolarHBondContact O-N 3.41Å; H74-H78 PolarHBondContact O-ND1 2.99Å; H74-I113 HydrophobicContact CB-CD1 4.16Å
75L98.8Very high97.6Very high2 Ų239.9 Ų39.91%0.0121%0.206CC..Hα-helixtrans-61.1-44.3-176.7178.764.1000111.7Y59 C71 E77 H78 I79 F110 I113 A134Y59-L75 HydrophobicContact CE1-CD2 3.72Å; C71-L75 WeakPolarHBondContact O-CB 3.46Å; C71-L75 PolarHBondContact O-N 3.21Å; L75-E77 VanDerWaalsContact C-N 3.29Å; L75-E77 PolarHBondContact O-N 3.13Å; L75-H78 PolarHBondContact O-N 3.36Å; L75-I79 HydrophobicContact CD1-CD1 4.11Å; L75-I79 HydrophobicContact CD1-CG1 4.26Å; L75-I79 HydrophobicContact CD2-CD1 4.41Å; L75-I79 HydrophobicContact CG-CD1 3.84Å; L75-I79 HydrophobicContact CG-CG1 4.39Å; L75-I79 VanDerWaalsContact O-CG1 3.3Å; L75-I79 WeakPolarHBondContact O-CG1 3.49Å; L75-I79 PolarHBondContact O-N 3.22Å; L75-F110 HydrophobicContact CD1-CD2 3.88Å; L75-F110 HydrophobicContact CD1-CE2 3.93Å; L75-F110 HydrophobicContact CD1-CG 4.3Å; L75-F110 HydrophobicContact CD1-CZ 4.35Å; L75-F110 HydrophobicContact CD2-CE1 4.43Å; L75-F110 HydrophobicContact CD2-CE2 3.87Å; L75-F110 HydrophobicContact CD2-CZ 3.76Å; L75-F110 HydrophobicContact CG-CE2 4.34Å; L75-I113 HydrophobicContact CB-CD1 4.13Å; L75-I113 HydrophobicContact CD1-CD1 4.36Å; L75-I113 HydrophobicContact CD1-CG2 3.83Å; L75-A134 HydrophobicContact CD2-CB 4.38Å
76L98.7Very high97.1Very high22 Ų2245.7 Ų45.712%0.11522%0.222CC..Hα-helixtrans-58.7-41.3179.217957.8000112.1V43 I46 F55 H74 I79 T80 M138V43-L76 HydrophobicContact CB-CD2 4.4Å; V43-L76 HydrophobicContact CG1-CD2 4.48Å; V43-L76 HydrophobicContact CG2-CD2 4.33Å; I46-L76 HydrophobicContact CD1-CD1 4.1Å; I46-L76 HydrophobicContact CG1-CD2 4.32Å; I46-L76 HydrophobicContact CG2-CD2 4.38Å; F55-L76 HydrophobicContact CB-CD1 3.84Å; F55-L76 HydrophobicContact CB-CD2 4.01Å; F55-L76 HydrophobicContact CD1-CB 3.99Å; F55-L76 HydrophobicContact CD1-CD1 3.94Å; F55-L76 HydrophobicContact CD1-CD2 4Å; F55-L76 HydrophobicContact CD1-CG 4.2Å; F55-L76 HydrophobicContact CD2-CD1 4.12Å; F55-L76 HydrophobicContact CE1-CB 4.13Å; F55-L76 HydrophobicContact CG-CD1 3.7Å; F55-L76 HydrophobicContact CG-CD2 4.26Å; F55-L76 HydrophobicContact CG-CG 4.4Å; H74-L76 VanDerWaalsContact C-N 3.34Å; H74-L76 PolarHBondContact O-N 2.96Å; L76-I79 PolarHBondContact O-N 2.92Å; L76-T80 HydrophobicContact CD1-CG2 3.89Å; L76-T80 WeakPolarHBondContact O-CB 3.43Å; L76-T80 WeakPolarHBondContact O-CG2 3.24Å; L76-T80 PolarHBondContact O-N 2.89Å; L76-T80 PolarHBondContact O-OG1 3.04Å; L76-M138 HydrophobicContact CD1-CE 3.83Å
77E97.9Very high95.9Very high109 Ų10945.2 Ų45.251%0.50924%0.235SC..Hα-helixtrans-66-44.5177.1-171.8178.6-179.200111.2H74 L75 I79 T80 T81H74-E77 PolarHBondContact O-N 3.26Å; L75-E77 VanDerWaalsContact C-N 3.29Å; L75-E77 PolarHBondContact O-N 3.13Å; E77-I79 PolarHBondContact O-N 2.67Å; E77-T80 PolarHBondContact O-N 2.98Å; E77-T81 HydrophobicContact CG-CG2 3.65Å; E77-T81 VanDerWaalsContact O-CB 3.3Å; E77-T81 WeakPolarHBondContact O-CB 3.24Å; E77-T81 VanDerWaalsContact O-CG2 3.27Å; E77-T81 WeakPolarHBondContact O-CG2 3.43Å; E77-T81 PolarHBondContact O-N 2.78Å; E77-T81 PolarHBondContact O-OG1 3.31Å
78H98.5Very high93.8Very high32 Ų3246 Ų4615%0.14824%0.241CC..Hα-helixtrans-61.3-34.8176.8-75.372.1000112.3H74 L75 N82 G109 I113H74-H78 PolarHBondContact O-N 3.41Å; H74-H78 PolarHBondContact O-ND1 2.99Å; L75-H78 PolarHBondContact O-N 3.36Å; H78-N82 PolarHBondContact O-ND2 3.25Å; H78-G109 WeakPolarHBondContact O-CA 3.29Å; H78-I113 HydrophobicContact CB-CB 4.14Å
79I98.4Very high91.6Very high1 Ų148.8 Ų48.81%0.00527%0.27CS..Hα-helixtrans-69.5-47.8175.2-68.2171.5000111.3L75 L76 E77 N82 F85 I106 F110 M138L75-I79 HydrophobicContact CD1-CD1 4.11Å; L75-I79 HydrophobicContact CD1-CG1 4.26Å; L75-I79 HydrophobicContact CD2-CD1 4.41Å; L75-I79 HydrophobicContact CG-CD1 3.84Å; L75-I79 HydrophobicContact CG-CG1 4.39Å; L75-I79 VanDerWaalsContact O-CG1 3.3Å; L75-I79 WeakPolarHBondContact O-CG1 3.49Å; L75-I79 PolarHBondContact O-N 3.22Å; L76-I79 PolarHBondContact O-N 2.92Å; E77-I79 PolarHBondContact O-N 2.67Å; I79-N82 PolarHBondContact O-ND2 3.11Å; I79-F85 HydrophobicContact CG2-CD2 4Å; I79-F85 HydrophobicContact CG2-CE2 4.1Å; I79-F85 WeakPolarHBondContact O-CB 3.24Å; I79-F85 WeakPolarHBondContact O-CD2 3.43Å; I79-F85 VanDerWaalsContact O-CG 3.31Å; I79-F85 WeakPolarHBondContact O-CG 3.3Å; I79-I106 HydrophobicContact CD1-CG1 4.42Å; I79-I106 HydrophobicContact CD1-CG2 4.44Å; I79-I106 HydrophobicContact CG2-CB 4.42Å; I79-I106 HydrophobicContact CG2-CG1 3.71Å; I79-F110 HydrophobicContact CD1-CD2 4.38Å; I79-F110 HydrophobicContact CD1-CE2 4.08Å; I79-M138 HydrophobicContact CG2-CE 4.37Å
80T97.1Very high89.1Confident22 Ų2254.9 Ų54.914%0.13529%0.293CS..Hα-helixtrans-86.3-23.7-168.252.10000114I46 L50 L76 E77 F85 R86 M138I46-T80 HydrophobicContact CG2-CG2 4.31Å; L50-T80 HydrophobicContact CD1-CG2 3.93Å; L76-T80 HydrophobicContact CD1-CG2 3.89Å; L76-T80 WeakPolarHBondContact O-CB 3.43Å; L76-T80 WeakPolarHBondContact O-CG2 3.24Å; L76-T80 PolarHBondContact O-N 2.89Å; L76-T80 PolarHBondContact O-OG1 3.04Å; E77-T80 PolarHBondContact O-N 2.98Å; T80-F85 HydrophobicContact CG2-CE1 4.11Å; T80-F85 HydrophobicContact CG2-CE2 4.49Å; T80-F85 HydrophobicContact CG2-CZ 4.05Å; T80-F85 WeakPolarHBondContact O-CD1 3.44Å; T80-R86 WeakPolarHBondContact O-CG 3.18Å; T80-M138 HydrophobicContact CG2-CE 3.6Å
81T95.4Very high86.3Confident64 Ų6459.7 Ų59.739%0.39333%0.332SS..Hα-helixtrans-91.6-13.2-175.162.70000114.1E77 R86E77-T81 HydrophobicContact CG-CG2 3.65Å; E77-T81 VanDerWaalsContact O-CB 3.3Å; E77-T81 WeakPolarHBondContact O-CB 3.24Å; E77-T81 VanDerWaalsContact O-CG2 3.27Å; E77-T81 WeakPolarHBondContact O-CG2 3.43Å; E77-T81 PolarHBondContact O-N 2.78Å; E77-T81 PolarHBondContact O-OG1 3.31Å; T81-R86 VanDerWaalsContact O-CD 3.28Å; T81-R86 WeakPolarHBondContact O-CD 3.5Å
82N96Very high83.9Confident6 Ų663.9 Ų63.93%0.03238%0.375CS..SBendtrans-75.8160-178.37568.2000113.2H78 I79 D84 F85 R86 G105 T108 K112H78-N82 PolarHBondContact O-ND2 3.25Å; I79-N82 PolarHBondContact O-ND2 3.11Å; N82-D84 VanDerWaalsContact C-N 3.34Å; N82-D84 PolarHBondContact O-N 2.89Å; N82-D84 PolarHBondContact OD1-N 3.46Å; N82-F85 PolarHBondContact O-N 3.46Å; N82-F85 PolarHBondContact OD1-N 3.44Å; N82-R86 WeakPolarHBondContact O-CB 3.28Å; N82-R86 VanDerWaalsContact O-CG 3.3Å; N82-R86 WeakPolarHBondContact O-CG 3.47Å; N82-R86 PolarHBondContact O-N 3.05Å; N82-G105 PolarHBondContact ND2-O 3.23Å; N82-T108 HydrophobicContact CB-CG2 4.06Å; N82-K112 HydrophobicContact CB-CD 4.41Å
83E94.7Very high81.6Confident111 Ų11167.4 Ų67.452%0.51940%0.4SS..Hα-helixtrans-60.2-36.9-176.259.9-83.1-158.800113.7R86 A87 K112E83-R86 CarbonylContact O-C 3.57Å; E83-R86 PolarHBondContact O-N 3.03Å; E83-A87 WeakPolarHBondContact O-CA 3.46Å; E83-A87 WeakPolarHBondContact O-CB 3.08Å; E83-A87 PolarHBondContact O-N 3.46Å; E83-K112 IonicContact OE1-NZ 2.9Å; E83-K112 PolarHBondContact OE1-NZ 2.66Å; E83-K112 IonicContact OE2-NZ 3.36Å; E83-K112 PolarHBondContact OE2-NZ 3.16Å
84D95.4Very high79.7Confident58 Ų5867 Ų6731%0.3141%0.406SS..Hα-helixtrans-73.2-36.4-176.9-67.4-43.1000111.5N82 N101 N104 T108N82-D84 VanDerWaalsContact C-N 3.34Å; N82-D84 PolarHBondContact O-N 2.89Å; N82-D84 PolarHBondContact OD1-N 3.46Å; D84-N101 WeakPolarHBondContact O-CA 3.47Å; D84-N101 WeakPolarHBondContact O-CB 3.48Å; D84-N101 PolarHBondContact O-ND2 3.19Å; D84-N101 VanDerWaalsContact O-ND2 3.1Å; D84-N104 HydrophobicContact CB-CB 3.95Å; D84-T108 WeakPolarHBondContact OD2-CB 3.19Å; D84-T108 PolarHBondContact OD2-OG1 3.36Å
85F93.9Very high78Confident3 Ų368.6 Ų68.61%0.01342%0.416CS..Hα-helixtrans-67.1-47.2170.5-161.9-87.9000110.4L50 I79 T80 N82 A87 L97 V102 M138L50-F85 HydrophobicContact CD1-CE1 3.77Å; L50-F85 HydrophobicContact CD1-CZ 4.12Å; I79-F85 HydrophobicContact CG2-CD2 4Å; I79-F85 HydrophobicContact CG2-CE2 4.1Å; I79-F85 WeakPolarHBondContact O-CB 3.24Å; I79-F85 WeakPolarHBondContact O-CD2 3.43Å; I79-F85 VanDerWaalsContact O-CG 3.31Å; I79-F85 WeakPolarHBondContact O-CG 3.3Å; T80-F85 HydrophobicContact CG2-CE1 4.11Å; T80-F85 HydrophobicContact CG2-CE2 4.49Å; T80-F85 HydrophobicContact CG2-CZ 4.05Å; T80-F85 WeakPolarHBondContact O-CD1 3.44Å; N82-F85 PolarHBondContact O-N 3.46Å; N82-F85 PolarHBondContact OD1-N 3.44Å; F85-A87 VanDerWaalsContact C-N 3.33Å; F85-A87 PolarHBondContact O-N 2.83Å; F85-L97 HydrophobicContact CD1-CD1 4.2Å; F85-L97 HydrophobicContact CD1-CD2 4.18Å; F85-L97 HydrophobicContact CE1-CD1 3.36Å; F85-L97 HydrophobicContact CE1-CD2 4.15Å; F85-L97 HydrophobicContact CE1-CG 4.43Å; F85-L97 HydrophobicContact CZ-CD1 3.58Å; F85-L97 WeakPolarHBondContact O-CD2 3.22Å; F85-V102 HydrophobicContact CE2-CB 4.45Å; F85-V102 HydrophobicContact CE2-CG1 4.23Å; F85-V102 HydrophobicContact CE2-CG2 4.3Å; F85-M138 HydrophobicContact CE2-CE 4.05Å; F85-M138 HydrophobicContact CE2-SD 3.86Å; F85-M138 HydrophobicContact CZ-CE 3.95Å; F85-M138 HydrophobicContact CZ-SD 4.1Å
86R86.8Confident76.6Confident166 Ų16676.3 Ų76.363%0.62645%0.452SS*.Hα-helixtrans-82.4-0.4-174-64.4-178.471.8174.67.3115.1T80 T81 N82 E83 A88T80-R86 WeakPolarHBondContact O-CG 3.18Å; T81-R86 VanDerWaalsContact O-CD 3.28Å; T81-R86 WeakPolarHBondContact O-CD 3.5Å; N82-R86 WeakPolarHBondContact O-CB 3.28Å; N82-R86 VanDerWaalsContact O-CG 3.3Å; N82-R86 WeakPolarHBondContact O-CG 3.47Å; N82-R86 PolarHBondContact O-N 3.05Å; E83-R86 CarbonylContact O-C 3.57Å; E83-R86 PolarHBondContact O-N 3.03Å; R86-A88 PolarHBondContact O-N 2.94Å
87A72.3Confident76Confident69 Ų6976.3 Ų76.357%0.5745%0.452SS*.THydrogen-bonded Turntrans-63.7-6.2-175.600000114.1E83 F85 G89E83-A87 WeakPolarHBondContact O-CA 3.46Å; E83-A87 WeakPolarHBondContact O-CB 3.08Å; E83-A87 PolarHBondContact O-N 3.46Å; F85-A87 VanDerWaalsContact C-N 3.33Å; F85-A87 PolarHBondContact O-N 2.83Å; A87-G89 PolarHBondContact O-N 2.66Å
88A55.1Low75.7Confident16 Ų1673.5 Ų73.513%0.13244%0.444CS..SBendtrans-81103170.600000112.6R86 E96 L97R86-A88 PolarHBondContact O-N 2.94Å; A88-E96 WeakPolarHBondContact CB-O 3.48Å; A88-L97 HydrophobicContact CB-CD2 3.98Å
89G51.8Low75.6Confident59 Ų5974.2 Ų74.261%0.60845%0.451SS*.  trans115.2108.6151.100000116.5A87A87-G89 PolarHBondContact O-N 2.66Å
90K46.4Very low75.5Confident202 Ų20280.5 Ų80.588%0.87848%0.48SS*.SBendtrans-51.7139.3155.1-68.3173.6178174.20108.8G92K90-G92 PolarHBondContact O-N 3.43Å; K90-G92 VanDerWaalsContact O-N 3.14Å
91S40.8Very low75.4Confident138 Ų13880.9 Ų80.997%0.96548%0.482SS*.THydrogen-bonded Turntrans-31.4114.3174.4-95.30000113.3
92G48.7Very low75.5Confident88 Ų8877.9 Ų77.991%0.90746%0.463SS*.THydrogen-bonded Turntrans132.3-7.5159.400000119.2K90K90-G92 PolarHBondContact O-N 3.43Å; K90-G92 VanDerWaalsContact O-N 3.14Å
93S50.6Low75.6Confident96 Ų9681.3 Ų81.367%0.67148%0.478SS*.SBendtrans-114.4157.5171.776.70000112L95S93-L95 PolarHBondContact O-N 3.12Å
94A57.8Low75.8Confident86 Ų8679 Ų7971%0.71147%0.469SS*.  trans-49.5139.4168.300000109.8E96A94-E96 VanDerWaalsContact C-N 3.31Å; A94-E96 PolarHBondContact O-N 3.24Å
95L62.1Low75.9Confident90 Ų9076.2 Ų76.247%0.47145%0.454SS..  trans-66.787-178.9-116118.3000109.2S93 L97S93-L95 PolarHBondContact O-N 3.12Å; L95-L97 HydrophobicContact CD2-CD1 4.41Å; L95-L97 HydrophobicContact CD2-CD2 3.79Å; L95-L97 HydrophobicContact CD2-CG 3.94Å; L95-L97 PolarHBondContact O-N 2.88Å; L95-L97 VanDerWaalsContact O-N 3.15Å
96E71.1Confident76.2Confident164 Ų16476 Ų7677%0.76645%0.453SS*.  trans-80.690.2165.7-79.6-16314900108.7A88 A94 S98A88-E96 WeakPolarHBondContact CB-O 3.48Å; A94-E96 VanDerWaalsContact C-N 3.31Å; A94-E96 PolarHBondContact O-N 3.24Å; E96-S98 PolarHBondContact O-N 3.27Å
97L84.7Confident76.7Confident22 Ų2272.3 Ų72.312%0.11544%0.439CS..  trans-67.8124.3171.7-70.2168.1000110L50 W53 F85 A88 L95 N101 V102L50-L97 HydrophobicContact CD2-CD1 3.65Å; W53-L97 HydrophobicContact CH2-CB 4.42Å; W53-L97 HydrophobicContact CH2-CD1 4.05Å; W53-L97 HydrophobicContact CZ2-CB 4.39Å; W53-L97 HydrophobicContact CZ2-CD1 3.95Å; F85-L97 HydrophobicContact CD1-CD1 4.2Å; F85-L97 HydrophobicContact CD1-CD2 4.18Å; F85-L97 HydrophobicContact CE1-CD1 3.36Å; F85-L97 HydrophobicContact CE1-CD2 4.15Å; F85-L97 HydrophobicContact CE1-CG 4.43Å; F85-L97 HydrophobicContact CZ-CD1 3.58Å; F85-L97 WeakPolarHBondContact O-CD2 3.22Å; A88-L97 HydrophobicContact CB-CD2 3.98Å; L95-L97 HydrophobicContact CD2-CD1 4.41Å; L95-L97 HydrophobicContact CD2-CD2 3.79Å; L95-L97 HydrophobicContact CD2-CG 3.94Å; L95-L97 PolarHBondContact O-N 2.88Å; L95-L97 VanDerWaalsContact O-N 3.15Å; L97-N101 HydrophobicContact CD2-CB 4.37Å; L97-V102 HydrophobicContact CB-CG2 4.06Å
98S92.7Very high78Confident51 Ų5169.8 Ų69.836%0.35742%0.417SS..  trans-72.8155.5170.977.60000110.8E96 E100 N101 V102E96-S98 PolarHBondContact O-N 3.27Å; S98-E100 PolarHBondContact O-N 3.02Å; S98-N101 PolarHBondContact O-N 2.99Å; S98-N101 VanDerWaalsContact O-N 3.08Å; S98-N101 VanDerWaalsContact OG-CG 3.25Å; S98-N101 PolarHBondContact OG-N 3.06Å; S98-N101 VanDerWaalsContact OG-N 3.1Å; S98-N101 PolarHBondContact OG-OD1 3.36Å; S98-V102 PolarHBondContact O-N 2.95Å; S98-V102 VanDerWaalsContact O-N 3.11Å
99V95.8Very high80.1Confident47 Ų4769 Ų6929%0.28541%0.411SS..Hα-helixtrans-52.9-40.1172.8169.20000111.1V102 K103 Y145 E228V99-V102 PolarHBondContact O-N 3.38Å; V99-K103 HydrophobicContact CG1-CD 4.01Å; V99-K103 HydrophobicContact CG1-CG 4.43Å; V99-K103 VanDerWaalsContact O-CG 3.31Å; V99-K103 WeakPolarHBondContact O-CG 3.22Å; V99-K103 PolarHBondContact O-N 2.89Å; V99-Y145 HydrophobicContact CG1-CE1 4.22Å; V99-E228 HydrophobicContact CG1-CB 4.11Å; V99-E228 HydrophobicContact CG1-CG 4.06Å; V99-E228 HydrophobicContact CG2-CG 4.2Å
100E96.2Very high82.3Confident132 Ų13266.3 Ų66.362%0.61738%0.382SS*.Hα-helixtrans-66.2-40.8178.8-174.5173-174.400112.1S98 V102 K103 N104S98-E100 PolarHBondContact O-N 3.02Å; E100-V102 VanDerWaalsContact C-N 3.33Å; E100-V102 PolarHBondContact O-N 3.36Å; E100-K103 PolarHBondContact O-N 2.87Å; E100-N104 WeakPolarHBondContact CG-ND2 3.47Å; E100-N104 VanDerWaalsContact O-CB 3.31Å; E100-N104 WeakPolarHBondContact O-CB 3.4Å; E100-N104 PolarHBondContact O-N 2.89Å
101N95.4Very high84.8Confident31 Ų3158.2 Ų58.217%0.16635%0.348CS..Hα-helixtrans-61.3-42.9175.3-68.1124.6000111.9D84 L97 S98 G105D84-N101 WeakPolarHBondContact O-CA 3.47Å; D84-N101 WeakPolarHBondContact O-CB 3.48Å; D84-N101 PolarHBondContact O-ND2 3.19Å; D84-N101 VanDerWaalsContact O-ND2 3.1Å; L97-N101 HydrophobicContact CD2-CB 4.37Å; S98-N101 PolarHBondContact O-N 2.99Å; S98-N101 VanDerWaalsContact O-N 3.08Å; S98-N101 VanDerWaalsContact OG-CG 3.25Å; S98-N101 PolarHBondContact OG-N 3.06Å; S98-N101 VanDerWaalsContact OG-N 3.1Å; S98-N101 PolarHBondContact OG-OD1 3.36Å; N101-G105 WeakPolarHBondContact O-CA 3.25Å; N101-G105 PolarHBondContact O-N 3.17Å
102V97.4Very high87.6Confident0 Ų055.7 Ų55.70%032%0.32CS..Hα-helixtrans-63.6-48.7177.8178.90000110.4W53 F85 L97 S98 V99 E100 G105 I106 M138 Y145W53-V102 HydrophobicContact CH2-CG2 3.77Å; W53-V102 HydrophobicContact CZ3-CG2 4.13Å; F85-V102 HydrophobicContact CE2-CB 4.45Å; F85-V102 HydrophobicContact CE2-CG1 4.23Å; F85-V102 HydrophobicContact CE2-CG2 4.3Å; L97-V102 HydrophobicContact CB-CG2 4.06Å; S98-V102 PolarHBondContact O-N 2.95Å; S98-V102 VanDerWaalsContact O-N 3.11Å; V99-V102 PolarHBondContact O-N 3.38Å; E100-V102 VanDerWaalsContact C-N 3.33Å; E100-V102 PolarHBondContact O-N 3.36Å; V102-G105 PolarHBondContact O-N 2.84Å; V102-I106 HydrophobicContact CG1-CD1 3.69Å; V102-I106 HydrophobicContact CG1-CG1 4.46Å; V102-I106 WeakPolarHBondContact O-CB 3.32Å; V102-I106 WeakPolarHBondContact O-CD1 3.14Å; V102-I106 WeakPolarHBondContact O-CG1 3.27Å; V102-I106 PolarHBondContact O-N 3.49Å; V102-M138 HydrophobicContact CG1-SD 4.19Å; V102-Y145 HydrophobicContact CB-CD1 4.34Å; V102-Y145 HydrophobicContact CB-CE1 3.92Å; V102-Y145 HydrophobicContact CB-CE2 4.33Å; V102-Y145 HydrophobicContact CG1-CD1 3.73Å; V102-Y145 HydrophobicContact CG1-CD2 3.78Å; V102-Y145 HydrophobicContact CG1-CE1 3.78Å; V102-Y145 HydrophobicContact CG1-CE2 3.82Å; V102-Y145 HydrophobicContact CG1-CG 3.74Å; V102-Y145 HydrophobicContact CG2-CE1 4.48Å; V102-Y145 HydrophobicContact CG2-CE2 4.23Å
103K98.6Very high90Very high78 Ų7851.5 Ų51.534%0.33928%0.277SS..Hα-helixtrans-63-46.4-179.7-67.4-176.875.9163.70112.4V99 E100 I106 R107 V226V99-K103 HydrophobicContact CG1-CD 4.01Å; V99-K103 HydrophobicContact CG1-CG 4.43Å; V99-K103 VanDerWaalsContact O-CG 3.31Å; V99-K103 WeakPolarHBondContact O-CG 3.22Å; V99-K103 PolarHBondContact O-N 2.89Å; E100-K103 PolarHBondContact O-N 2.87Å; K103-I106 PolarHBondContact O-N 3.28Å; K103-R107 PolarHBondContact O-N 3.28Å; K103-V226 WeakPolarHBondContact CE-O 3.28Å; K103-V226 HydrophobicContact CG-CB 4.29Å; K103-V226 HydrophobicContact CG-CG1 3.89Å; K103-V226 PolarHBondContact NZ-O 2.89Å; K103-V226 VanDerWaalsContact NZ-O 3.1Å
104N98.3Very high92.3Very high62 Ų6247.2 Ų47.233%0.33225%0.246SC..Hα-helixtrans-67.2-41.2177.7-71-16.3000111.2D84 E100 I106 R107 T108D84-N104 HydrophobicContact CB-CB 3.95Å; E100-N104 WeakPolarHBondContact CG-ND2 3.47Å; E100-N104 VanDerWaalsContact O-CB 3.31Å; E100-N104 WeakPolarHBondContact O-CB 3.4Å; E100-N104 PolarHBondContact O-N 2.89Å; N104-I106 PolarHBondContact O-N 3.49Å; N104-R107 PolarHBondContact O-N 2.9Å; N104-T108 WeakPolarHBondContact O-CB 3.46Å; N104-T108 PolarHBondContact O-N 2.86Å; N104-T108 PolarHBondContact O-OG1 2.91Å
105G98.3Very high94.2Very high0 Ų047.5 Ų47.50%023%0.233CC..Hα-helixtrans-61.5-40.1175.700000113.2N82 N101 V102 G109N82-G105 PolarHBondContact ND2-O 3.23Å; N101-G105 WeakPolarHBondContact O-CA 3.25Å; N101-G105 PolarHBondContact O-N 3.17Å; V102-G105 PolarHBondContact O-N 2.84Å; G105-G109 PolarHBondContact O-N 3.31Å
106I98.8Very high95.9Very high0 Ų048.8 Ų48.80%023%0.232CC..Hα-helixtrans-62.6-52.1172.7-69.3158.5000110.2I79 V102 K103 N104 T108 G109 F110 I147 P224 V226I79-I106 HydrophobicContact CD1-CG1 4.42Å; I79-I106 HydrophobicContact CD1-CG2 4.44Å; I79-I106 HydrophobicContact CG2-CB 4.42Å; I79-I106 HydrophobicContact CG2-CG1 3.71Å; V102-I106 HydrophobicContact CG1-CD1 3.69Å; V102-I106 HydrophobicContact CG1-CG1 4.46Å; V102-I106 WeakPolarHBondContact O-CB 3.32Å; V102-I106 WeakPolarHBondContact O-CD1 3.14Å; V102-I106 WeakPolarHBondContact O-CG1 3.27Å; V102-I106 PolarHBondContact O-N 3.49Å; K103-I106 PolarHBondContact O-N 3.28Å; N104-I106 PolarHBondContact O-N 3.49Å; I106-T108 VanDerWaalsContact C-N 3.34Å; I106-T108 PolarHBondContact O-N 2.94Å; I106-G109 PolarHBondContact O-N 3.42Å; I106-G109 VanDerWaalsContact O-N 3.16Å; I106-F110 HydrophobicContact CG2-CD2 4.01Å; I106-F110 HydrophobicContact CG2-CE2 3.94Å; I106-F110 VanDerWaalsContact O-CD2 3.32Å; I106-F110 WeakPolarHBondContact O-CD2 3.4Å; I106-F110 PolarHBondContact O-N 3.16Å; I106-I147 HydrophobicContact CD1-CD1 3.61Å; I106-I147 HydrophobicContact CD1-CG1 3.92Å; I106-I147 HydrophobicContact CG1-CD1 3.93Å; I106-I147 HydrophobicContact CG2-CD1 3.95Å; I106-I147 HydrophobicContact CG2-CG1 4.1Å; I106-I147 HydrophobicContact CG2-CG2 3.77Å; I106-P224 HydrophobicContact CG2-CG 4.04Å; I106-V226 HydrophobicContact CB-CG2 4.04Å; I106-V226 HydrophobicContact CD1-CG1 3.8Å; I106-V226 HydrophobicContact CD1-CG2 4.32Å; I106-V226 HydrophobicContact CG2-CG2 3.56Å
107R98.9Very high97.1Very high87 Ų8741 Ų4133%0.32820%0.196SC..Hα-helixtrans-54.8-50.3178.2-177.4-175.8-178.4-80.8-6.7111.6K103 N104 G109 F110 L111 E223K103-R107 PolarHBondContact O-N 3.28Å; N104-R107 PolarHBondContact O-N 2.9Å; R107-G109 VanDerWaalsContact C-N 3.33Å; R107-G109 PolarHBondContact O-N 3.32Å; R107-F110 PolarHBondContact O-N 2.87Å; R107-L111 WeakPolarHBondContact O-CG 3.4Å; R107-L111 PolarHBondContact O-N 2.93Å; R107-L111 VanDerWaalsContact O-N 3.08Å; R107-E223 HydrophobicContact CG-CG 4.48Å; R107-E223 IonicContact CZ-OE1 2.74Å; R107-E223 IonicContact NE-OE1 3.52Å; R107-E223 PolarHBondContact NE-OE1 2.97Å; R107-E223 IonicContact NH2-OE1 3.97Å; R107-E223 PolarHBondContact NH2-OE1 2.73Å
108T98.8Very high97.6Very high17 Ų1742.8 Ų42.810%0.10420%0.201CC..Hα-helixtrans-64.2-38.2179.5-67.50000111.7N82 D84 N104 I106 F110 L111 K112N82-T108 HydrophobicContact CB-CG2 4.06Å; D84-T108 WeakPolarHBondContact OD2-CB 3.19Å; D84-T108 PolarHBondContact OD2-OG1 3.36Å; N104-T108 WeakPolarHBondContact O-CB 3.46Å; N104-T108 PolarHBondContact O-N 2.86Å; N104-T108 PolarHBondContact O-OG1 2.91Å; I106-T108 VanDerWaalsContact C-N 3.34Å; I106-T108 PolarHBondContact O-N 2.94Å; T108-F110 PolarHBondContact O-N 3.14Å; T108-L111 PolarHBondContact O-N 2.82Å; T108-K112 HydrophobicContact CG2-CD 3.9Å; T108-K112 HydrophobicContact CG2-CG 4.15Å; T108-K112 VanDerWaalsContact O-CB 3.31Å; T108-K112 WeakPolarHBondContact O-CB 3.26Å; T108-K112 VanDerWaalsContact O-CG 3.31Å; T108-K112 WeakPolarHBondContact O-CG 3.38Å; T108-K112 PolarHBondContact O-N 3.44Å
109G98.8Very high97.5Very high0 Ų045.2 Ų45.20%021%0.21CC..Hα-helixtrans-58.4-46.3174.200000112.7H78 G105 I106 R107 K112 I113H78-G109 WeakPolarHBondContact O-CA 3.29Å; G105-G109 PolarHBondContact O-N 3.31Å; I106-G109 PolarHBondContact O-N 3.42Å; I106-G109 VanDerWaalsContact O-N 3.16Å; R107-G109 VanDerWaalsContact C-N 3.33Å; R107-G109 PolarHBondContact O-N 3.32Å; G109-K112 PolarHBondContact O-N 3.16Å; G109-I113 WeakPolarHBondContact O-CG2 3.45Å; G109-I113 PolarHBondContact O-N 3.47Å
110F98.9Very high97.2Very high1 Ų144.7 Ų44.70%0.00420%0.204CC..Hα-helixtrans-62.8-46.1175.9-88.5-107.7000112.7L75 I79 I106 R107 T108 K112 I113 D114 A134 I147 C149 L202 P224L75-F110 HydrophobicContact CD1-CD2 3.88Å; L75-F110 HydrophobicContact CD1-CE2 3.93Å; L75-F110 HydrophobicContact CD1-CG 4.3Å; L75-F110 HydrophobicContact CD1-CZ 4.35Å; L75-F110 HydrophobicContact CD2-CE1 4.43Å; L75-F110 HydrophobicContact CD2-CE2 3.87Å; L75-F110 HydrophobicContact CD2-CZ 3.76Å; L75-F110 HydrophobicContact CG-CE2 4.34Å; I79-F110 HydrophobicContact CD1-CD2 4.38Å; I79-F110 HydrophobicContact CD1-CE2 4.08Å; I106-F110 HydrophobicContact CG2-CD2 4.01Å; I106-F110 HydrophobicContact CG2-CE2 3.94Å; I106-F110 VanDerWaalsContact O-CD2 3.32Å; I106-F110 WeakPolarHBondContact O-CD2 3.4Å; I106-F110 PolarHBondContact O-N 3.16Å; R107-F110 PolarHBondContact O-N 2.87Å; T108-F110 PolarHBondContact O-N 3.14Å; F110-K112 VanDerWaalsContact C-N 3.34Å; F110-K112 PolarHBondContact O-N 2.98Å; F110-I113 WeakPolarHBondContact O-CG2 3.5Å; F110-D114 WeakPolarHBondContact O-CB 3.38Å; F110-D114 PolarHBondContact O-N 3.22Å; F110-D114 VanDerWaalsContact O-N 3.12Å; F110-A134 HydrophobicContact CE1-CB 3.88Å; F110-A134 HydrophobicContact CZ-CB 3.95Å; F110-I147 HydrophobicContact CE2-CG2 3.62Å; F110-I147 HydrophobicContact CZ-CG2 3.66Å; F110-C149 HydrophobicContact CD1-CB 4.14Å; F110-C149 HydrophobicContact CE1-CB 3.6Å; F110-C149 HydrophobicContact CZ-CB 4.48Å; F110-L202 HydrophobicContact CD1-CD1 4.05Å; F110-L202 HydrophobicContact CD1-CD2 4.04Å; F110-L202 HydrophobicContact CD1-CG 4.16Å; F110-L202 HydrophobicContact CE1-CD1 4.12Å; F110-L202 HydrophobicContact CE1-CG 4.5Å; F110-L202 WeakPolarHBondContact O-CD2 3.44Å; F110-P224 HydrophobicContact CB-CG 3.91Å; F110-P224 HydrophobicContact CD1-CB 4Å; F110-P224 HydrophobicContact CD1-CG 4.08Å; F110-P224 HydrophobicContact CD2-CB 4.06Å; F110-P224 HydrophobicContact CD2-CG 3.67Å; F110-P224 HydrophobicContact CE1-CB 4.02Å; F110-P224 HydrophobicContact CE2-CB 4.07Å; F110-P224 HydrophobicContact CE2-CG 4.15Å; F110-P224 HydrophobicContact CG-CB 4.01Å; F110-P224 HydrophobicContact CG-CG 3.61Å; F110-P224 HydrophobicContact CZ-CB 4.05Å
111L98.8Very high95.9Very high32 Ų3241.6 Ų41.617%0.16820%0.196CC..Hα-helixtrans-64.9-39.6178.2-62.6-174.9000112.1R107 T108 E115 T216 P222R107-L111 WeakPolarHBondContact O-CG 3.4Å; R107-L111 PolarHBondContact O-N 2.93Å; R107-L111 VanDerWaalsContact O-N 3.08Å; T108-L111 PolarHBondContact O-N 2.82Å; L111-E115 PolarHBondContact O-N 3.09Å; L111-E115 VanDerWaalsContact O-N 3.16Å; L111-T216 HydrophobicContact CD1-CG2 4.38Å; L111-T216 HydrophobicContact CD2-CG2 3.79Å; L111-P222 HydrophobicContact CD2-CB 4.42Å; L111-P222 HydrophobicContact CD2-CG 3.72Å
112K98.7Very high94.9Very high86 Ų8642.4 Ų42.437%0.37420%0.201SC..Hα-helixtrans-69.9-42.9179.9-76.2-171.5178-170.30112.4N82 E83 T108 G109 F110 E115 Y116N82-K112 HydrophobicContact CB-CD 4.41Å; E83-K112 IonicContact OE1-NZ 2.9Å; E83-K112 PolarHBondContact OE1-NZ 2.66Å; E83-K112 IonicContact OE2-NZ 3.36Å; E83-K112 PolarHBondContact OE2-NZ 3.16Å; T108-K112 HydrophobicContact CG2-CD 3.9Å; T108-K112 HydrophobicContact CG2-CG 4.15Å; T108-K112 VanDerWaalsContact O-CB 3.31Å; T108-K112 WeakPolarHBondContact O-CB 3.26Å; T108-K112 VanDerWaalsContact O-CG 3.31Å; T108-K112 WeakPolarHBondContact O-CG 3.38Å; T108-K112 PolarHBondContact O-N 3.44Å; G109-K112 PolarHBondContact O-N 3.16Å; F110-K112 VanDerWaalsContact C-N 3.34Å; F110-K112 PolarHBondContact O-N 2.98Å; K112-E115 PolarHBondContact O-N 3.18Å; K112-Y116 VanDerWaalsContact O-CB 3.24Å; K112-Y116 WeakPolarHBondContact O-CB 3.37Å; K112-Y116 PolarHBondContact O-N 2.88Å
113I98.7Very high94Very high0 Ų042.9 Ų42.90%020%0.203CC..Hα-helixtrans-68.1-36.6179-163.4171.1000111.5Y70 H74 L75 H78 G109 F110 Y116 M117 L202Y70-I113 HydrophobicContact CD1-CD1 3.94Å; Y70-I113 HydrophobicContact CD1-CG1 4.06Å; Y70-I113 HydrophobicContact CE1-CD1 3.94Å; Y70-I113 HydrophobicContact CE1-CG1 3.86Å; H74-I113 HydrophobicContact CB-CD1 4.16Å; L75-I113 HydrophobicContact CB-CD1 4.13Å; L75-I113 HydrophobicContact CD1-CD1 4.36Å; L75-I113 HydrophobicContact CD1-CG2 3.83Å; H78-I113 HydrophobicContact CB-CB 4.14Å; G109-I113 WeakPolarHBondContact O-CG2 3.45Å; G109-I113 PolarHBondContact O-N 3.47Å; F110-I113 WeakPolarHBondContact O-CG2 3.5Å; I113-Y116 PolarHBondContact O-N 2.77Å; I113-M117 HydrophobicContact CG1-CE 4.16Å; I113-M117 HydrophobicContact CG1-CG 4.35Å; I113-M117 WeakPolarHBondContact O-CB 3.46Å; I113-M117 WeakPolarHBondContact O-CG 3.18Å; I113-M117 PolarHBondContact O-N 3.49Å; I113-L202 HydrophobicContact CG2-CD1 4.1Å; I113-L202 HydrophobicContact CG2-CD2 3.92Å
114D98.7Very high92.9Very high5 Ų548 Ų483%0.02722%0.22CC..Hα-helixtrans-62.2-48.1175.8-161.459.2000111.3F110 Y116 M117 R118 L202 G203 Y205 K208 P222F110-D114 WeakPolarHBondContact O-CB 3.38Å; F110-D114 PolarHBondContact O-N 3.22Å; F110-D114 VanDerWaalsContact O-N 3.12Å; D114-Y116 VanDerWaalsContact C-N 3.34Å; D114-Y116 PolarHBondContact O-N 3.08Å; D114-M117 PolarHBondContact O-N 3.28Å; D114-R118 PolarHBondContact O-N 3.33Å; D114-L202 HydrophobicContact CB-CD2 3.71Å; D114-L202 WeakPolarHBondContact OD1-CA 3.48Å; D114-G203 PolarHBondContact OD1-N 3.25Å; D114-Y205 PolarHBondContact O-OH 3.19Å; D114-K208 IonicContact OD1-NZ 2.81Å; D114-K208 PolarHBondContact OD1-NZ 2.87Å; D114-K208 IonicContact OD2-NZ 3.51Å; D114-K208 PolarHBondContact OD2-NZ 2.74Å; D114-P222 HydrophobicContact CB-CB 3.9Å; D114-P222 HydrophobicContact CB-CG 4.38Å
115E97.8Very high92.1Very high92 Ų9250.5 Ų50.543%0.4323%0.234SC..Hα-helixtrans-68.3-33.9177.2-172.857.7-151.100112.1L111 K112 R118 N119L111-E115 PolarHBondContact O-N 3.09Å; L111-E115 VanDerWaalsContact O-N 3.16Å; K112-E115 PolarHBondContact O-N 3.18Å; E115-R118 WeakPolarHBondContact O-CB 3.34Å; E115-R118 IonicContact OE2-CZ 3.59Å; E115-R118 IonicContact OE2-NH1 2.72Å; E115-R118 PolarHBondContact OE2-NH1 3.39Å; E115-N119 PolarHBondContact O-ND2 3.37Å
116Y97.6Very high91.1Very high118 Ų11851.6 Ų51.646%0.46325%0.246SC..Hα-helixtrans-62-51.3174180-90.8000111.3Y70 K112 I113 D114 R118 N119 F120Y70-Y116 AromaticContact CE1-CD1 3.87Å; Y70-Y116 HydrophobicContact CE1-CD1 3.87Å; Y70-Y116 HydrophobicContact CE1-CE1 4.02Å; Y70-Y116 HydrophobicContact CE2-CE1 4.23Å; Y70-Y116 AromaticContact CZ-CD1 3.83Å; Y70-Y116 AromaticContact CZ-CE1 3.48Å; Y70-Y116 VanDerWaalsContact CZ-CE1 3.48Å; Y70-Y116 WeakPolarHBondContact OH-CD1 3.47Å; Y70-Y116 WeakPolarHBondContact OH-CE1 3.28Å; K112-Y116 VanDerWaalsContact O-CB 3.24Å; K112-Y116 WeakPolarHBondContact O-CB 3.37Å; K112-Y116 PolarHBondContact O-N 2.88Å; I113-Y116 PolarHBondContact O-N 2.77Å; D114-Y116 VanDerWaalsContact C-N 3.34Å; D114-Y116 PolarHBondContact O-N 3.08Å; Y116-R118 VanDerWaalsContact C-N 3.29Å; Y116-R118 PolarHBondContact O-N 2.87Å; Y116-N119 WeakPolarHBondContact O-CB 3.2Å; Y116-N119 PolarHBondContact O-N 2.85Å; Y116-N119 VanDerWaalsContact O-N 3.13Å; Y116-F120 AromaticContact CD1-CE1 3.78Å; Y116-F120 HydrophobicContact CD1-CE1 3.78Å; Y116-F120 AromaticContact CD1-CZ 3.84Å; Y116-F120 HydrophobicContact CD1-CZ 3.84Å; Y116-F120 AromaticContact CE1-CE1 3.35Å; Y116-F120 HydrophobicContact CE1-CE1 3.35Å; Y116-F120 AromaticContact CE1-CZ 3.57Å; Y116-F120 HydrophobicContact CE1-CZ 3.57Å
117M97.8Very high90.5Very high0 Ų058.7 Ų58.70%028%0.28CS..Hα-helixtrans-67.3-28.6-178.6-72.4-169.8-66.400112.9V67 Y70 I113 D114 N119 F120 L123 L202 Y205V67-M117 HydrophobicContact CG1-CE 3.91Å; V67-M117 HydrophobicContact CG1-SD 4.19Å; V67-M117 HydrophobicContact CG2-SD 4.44Å; Y70-M117 HydrophobicContact CD1-CG 3.42Å; Y70-M117 VanDerWaalsContact CD1-CG 3.42Å; Y70-M117 HydrophobicContact CD1-SD 3.42Å; Y70-M117 WeakPolarHBondContact CD1-SD 3.42Å; Y70-M117 HydrophobicContact CE1-CG 3.83Å; Y70-M117 HydrophobicContact CE1-SD 4.36Å; Y70-M117 HydrophobicContact CG-CG 4.11Å; Y70-M117 HydrophobicContact CG-SD 3.92Å; I113-M117 HydrophobicContact CG1-CE 4.16Å; I113-M117 HydrophobicContact CG1-CG 4.35Å; I113-M117 WeakPolarHBondContact O-CB 3.46Å; I113-M117 WeakPolarHBondContact O-CG 3.18Å; I113-M117 PolarHBondContact O-N 3.49Å; D114-M117 PolarHBondContact O-N 3.28Å; M117-N119 PolarHBondContact O-N 3.44Å; M117-N119 VanDerWaalsContact O-N 3.08Å; M117-F120 HydrophobicContact CB-CD2 4.12Å; M117-F120 HydrophobicContact CB-CE2 3.86Å; M117-F120 HydrophobicContact CB-CZ 4.26Å; M117-F120 HydrophobicContact CG-CD2 4.27Å; M117-F120 HydrophobicContact CG-CE2 3.52Å; M117-F120 HydrophobicContact CG-CZ 3.79Å; M117-F120 VanDerWaalsContact O-CB 3.31Å; M117-F120 WeakPolarHBondContact O-CB 3.28Å; M117-F120 VanDerWaalsContact O-CG 3.27Å; M117-F120 WeakPolarHBondContact O-CG 3.47Å; M117-F120 PolarHBondContact O-N 3.44Å; M117-F120 HydrophobicContact SD-CE2 4.38Å; M117-L123 HydrophobicContact CB-CD1 4.44Å; M117-L202 HydrophobicContact CE-CB 4.08Å; M117-Y205 WeakPolarHBondContact CB-OH 3.26Å
118R94.4Very high90.1Very high60 Ų6056.1 Ų56.123%0.22627%0.273CS..Hα-helixtrans-55-26172.4-178.6175.4-86.6178.1-22112.9D114 E115 Y116 F120 Y205 K208D114-R118 PolarHBondContact O-N 3.33Å; E115-R118 WeakPolarHBondContact O-CB 3.34Å; E115-R118 IonicContact OE2-CZ 3.59Å; E115-R118 IonicContact OE2-NH1 2.72Å; E115-R118 PolarHBondContact OE2-NH1 3.39Å; Y116-R118 VanDerWaalsContact C-N 3.29Å; Y116-R118 PolarHBondContact O-N 2.87Å; R118-F120 VanDerWaalsContact C-N 3.34Å; R118-Y205 HydrophobicContact CB-CD1 3.99Å; R118-Y205 HydrophobicContact CB-CE1 3.65Å; R118-Y205 HydrophobicContact CB-CE2 4.31Å; R118-Y205 HydrophobicContact CB-CG 4.45Å; R118-Y205 HydrophobicContact CG-CD1 4.07Å; R118-Y205 HydrophobicContact CG-CE1 4.26Å; R118-Y205 HydrophobicContact CG-CG 4.3Å; R118-Y205 PolarHBondContact N-OH 3Å; R118-K208 PolarHBondContact NH2-O 3.41Å
119N90.5Very high89.9Confident102 Ų10262.5 Ų62.555%0.54530%0.295SS..THydrogen-bonded Turntrans-82.2-6.7178.3-67.2-61.3000114.3E115 Y116 M117 S121E115-N119 PolarHBondContact O-ND2 3.37Å; Y116-N119 WeakPolarHBondContact O-CB 3.2Å; Y116-N119 PolarHBondContact O-N 2.85Å; Y116-N119 VanDerWaalsContact O-N 3.13Å; M117-N119 PolarHBondContact O-N 3.44Å; M117-N119 VanDerWaalsContact O-N 3.08Å; N119-S121 PolarHBondContact O-N 3.23Å
120F88.9Confident89.8Confident36 Ų3662.5 Ų62.516%0.15830%0.295CS..SBendtrans-63.6131.2175.6-63.5-13.6000110.4Y70 Y116 M117 R118 D122 L123 R124Y70-F120 HydrophobicContact CD1-CE2 4.3Å; Y70-F120 HydrophobicContact CD1-CZ 4.18Å; Y70-F120 AromaticContact CD2-CE2 3.88Å; Y70-F120 HydrophobicContact CD2-CE2 3.88Å; Y70-F120 AromaticContact CD2-CZ 3.71Å; Y70-F120 HydrophobicContact CD2-CZ 3.71Å; Y70-F120 HydrophobicContact CE1-CZ 4.05Å; Y70-F120 HydrophobicContact CE2-CE2 4.24Å; Y70-F120 AromaticContact CE2-CZ 3.59Å; Y70-F120 HydrophobicContact CE2-CZ 3.59Å; Y70-F120 AromaticContact CG-CE2 3.93Å; Y70-F120 HydrophobicContact CG-CE2 3.93Å; Y70-F120 HydrophobicContact CG-CZ 4.02Å; Y70-F120 AromaticContact CZ-CZ 3.79Å; Y116-F120 AromaticContact CD1-CE1 3.78Å; Y116-F120 HydrophobicContact CD1-CE1 3.78Å; Y116-F120 AromaticContact CD1-CZ 3.84Å; Y116-F120 HydrophobicContact CD1-CZ 3.84Å; Y116-F120 AromaticContact CE1-CE1 3.35Å; Y116-F120 HydrophobicContact CE1-CE1 3.35Å; Y116-F120 AromaticContact CE1-CZ 3.57Å; Y116-F120 HydrophobicContact CE1-CZ 3.57Å; M117-F120 HydrophobicContact CB-CD2 4.12Å; M117-F120 HydrophobicContact CB-CE2 3.86Å; M117-F120 HydrophobicContact CB-CZ 4.26Å; M117-F120 HydrophobicContact CG-CD2 4.27Å; M117-F120 HydrophobicContact CG-CE2 3.52Å; M117-F120 HydrophobicContact CG-CZ 3.79Å; M117-F120 VanDerWaalsContact O-CB 3.31Å; M117-F120 WeakPolarHBondContact O-CB 3.28Å; M117-F120 VanDerWaalsContact O-CG 3.27Å; M117-F120 WeakPolarHBondContact O-CG 3.47Å; M117-F120 PolarHBondContact O-N 3.44Å; M117-F120 HydrophobicContact SD-CE2 4.38Å; R118-F120 VanDerWaalsContact C-N 3.34Å; F120-D122 PolarHBondContact O-N 3.4Å; F120-D122 VanDerWaalsContact O-N 3.13Å; F120-L123 HydrophobicContact CB-CB 4.26Å; F120-L123 HydrophobicContact CB-CD1 4.08Å; F120-L123 HydrophobicContact CB-CG 4.42Å; F120-L123 HydrophobicContact CD2-CD1 3.65Å; F120-L123 HydrophobicContact CG-CD1 4.3Å; F120-L123 PolarHBondContact O-N 3.36Å; F120-R124 VanDerWaalsContact O-CB 3.23Å; F120-R124 WeakPolarHBondContact O-CB 3.49Å; F120-R124 PolarHBondContact O-N 3.01Å
121S70.7Confident89.8Confident66 Ų6662.4 Ų62.446%0.46230%0.295SS..Hα-helixtrans-51.3-42.9-173.853.70000113N119 N125N119-S121 PolarHBondContact O-N 3.23Å; S121-N125 WeakPolarHBondContact O-CB 3.28Å; S121-N125 PolarHBondContact O-N 2.74Å; S121-N125 PolarHBondContact O-ND2 3.1Å; S121-N125 VanDerWaalsContact O-ND2 3.13Å
122D74.1Confident89.8Confident48 Ų4860.9 Ų60.926%0.25729%0.287SS..Hα-helixtrans-81.5-31.9-170.5-48.8-22.2000110.9R66 F120 G126 M127 D128R66-D122 IonicContact CZ-OD2 3.63Å; R66-D122 VanDerWaalsContact NH1-CB 3.31Å; R66-D122 IonicContact NH1-OD2 3.26Å; R66-D122 PolarHBondContact NH1-OD2 2.95Å; R66-D122 IonicContact NH2-OD2 2.81Å; R66-D122 PolarHBondContact NH2-OD2 3.03Å; F120-D122 PolarHBondContact O-N 3.4Å; F120-D122 VanDerWaalsContact O-N 3.13Å; D122-G126 CarbonylContact O-C 3.52Å; D122-G126 PolarHBondContact O-N 3.29Å; D122-M127 HydrophobicContact CB-CB 4.05Å; D122-M127 WeakPolarHBondContact O-CA 3.37Å; D122-M127 PolarHBondContact O-N 3.16Å; D122-D128 HydrophobicContact CB-CB 4.34Å; D122-D128 PolarHBondContact O-N 3.43Å
123L76.9Confident89.8Confident10 Ų1056.9 Ų56.95%0.05227%0.27CS..Hα-helixtrans-70.7-44.4170.4-72167.1000110.8V67 M117 F120 G126 D128 Y205V67-L123 HydrophobicContact CG2-CD1 4.08Å; V67-L123 HydrophobicContact CG2-CD2 4.25Å; M117-L123 HydrophobicContact CB-CD1 4.44Å; F120-L123 HydrophobicContact CB-CB 4.26Å; F120-L123 HydrophobicContact CB-CD1 4.08Å; F120-L123 HydrophobicContact CB-CG 4.42Å; F120-L123 HydrophobicContact CD2-CD1 3.65Å; F120-L123 HydrophobicContact CG-CD1 4.3Å; F120-L123 PolarHBondContact O-N 3.36Å; L123-G126 PolarHBondContact O-N 3.15Å; L123-D128 WeakPolarHBondContact CA-O 3.25Å; L123-D128 HydrophobicContact CD2-CB 4.03Å; L123-D128 WeakPolarHBondContact CD2-OD1 3.21Å; L123-D128 HydrophobicContact CG-CB 4.43Å; L123-Y205 HydrophobicContact CB-CD2 4.02Å; L123-Y205 HydrophobicContact CB-CE2 3.82Å; L123-Y205 HydrophobicContact CD1-CE2 3.85Å; L123-Y205 HydrophobicContact CD2-CD2 4.43Å; L123-Y205 HydrophobicContact CD2-CE2 4.13Å; L123-Y205 HydrophobicContact CG-CE2 4.13Å
124R77.3Confident89.8Confident185 Ų18557 Ų5770%0.69827%0.271SS*.Hα-helixtrans-65-40.8179.7-177.5179.8171.3-173.6-1112.9F120 G126F120-R124 VanDerWaalsContact O-CB 3.23Å; F120-R124 WeakPolarHBondContact O-CB 3.49Å; F120-R124 PolarHBondContact O-N 3.01Å; R124-G126 VanDerWaalsContact C-N 3.26Å
125N80Confident89.8Confident115 Ų11556.9 Ų56.962%0.61527%0.27SS*.THydrogen-bonded Turntrans-86.73.1179.1-62.5-28.9000112.3S121 M127S121-N125 WeakPolarHBondContact O-CB 3.28Å; S121-N125 PolarHBondContact O-N 2.74Å; S121-N125 PolarHBondContact O-ND2 3.1Å; S121-N125 VanDerWaalsContact O-ND2 3.13Å; N125-M127 VanDerWaalsContact C-N 3.28Å; N125-M127 PolarHBondContact O-N 3.09Å
126G78.4Confident89.8Confident24 Ų2452.6 Ų52.625%0.24725%0.251CS..THydrogen-bonded Turntrans69.918.8176.400000115.2D122 L123 R124 R129D122-G126 CarbonylContact O-C 3.52Å; D122-G126 PolarHBondContact O-N 3.29Å; L123-G126 PolarHBondContact O-N 3.15Å; R124-G126 VanDerWaalsContact C-N 3.26Å; G126-R129 PolarHBondContact O-NE 2.93Å
127M84.7Confident89.9Confident148 Ų14847 Ų4773%0.72923%0.229SC*.SBendtrans-73.4-33.3172.5-70.7179.56000111.8D122 N125D122-M127 HydrophobicContact CB-CB 4.05Å; D122-M127 WeakPolarHBondContact O-CA 3.37Å; D122-M127 PolarHBondContact O-N 3.16Å; N125-M127 VanDerWaalsContact C-N 3.28Å; N125-M127 PolarHBondContact O-N 3.09Å
128D90.9Very high90Very high34 Ų3447 Ų4718%0.18223%0.229CC..  trans-117.6135.7167.7-172.8-68000106.9R66 D122 L123 S130R66-D128 WeakPolarHBondContact CB-OD2 3.24Å; D122-D128 HydrophobicContact CB-CB 4.34Å; D122-D128 PolarHBondContact O-N 3.43Å; L123-D128 WeakPolarHBondContact CA-O 3.25Å; L123-D128 HydrophobicContact CD2-CB 4.03Å; L123-D128 WeakPolarHBondContact CD2-OD1 3.21Å; L123-D128 HydrophobicContact CG-CB 4.43Å; D128-S130 WeakPolarHBondContact OD1-CB 3.43Å; D128-S130 PolarHBondContact OD1-N 2.92Å; D128-S130 PolarHBondContact OD1-OG 3.34Å
129R94.3Very high90.2Very high150 Ų15044.2 Ų44.257%0.56622%0.218SC*.  trans-125.524.9179.1-60.1-174.6-171.2-158.610.2111.1G126 D206G126-R129 PolarHBondContact O-NE 2.93Å; R129-D206 WeakPolarHBondContact CD-OD2 3.12Å; R129-D206 IonicContact CZ-OD2 2.72Å; R129-D206 IonicContact NE-OD2 3.4Å; R129-D206 IonicContact NH1-OD2 2.83Å; R129-D206 PolarHBondContact NH1-OD2 3.06Å
130S97.1Very high90.5Very high0 Ų039.5 Ų39.50%019%0.193CC..  trans-64.7150-176.457.30000111.5H62 A63 G64 V67 D128 D204H62-S130 CarbonylContact O-C 3.55Å; H62-S130 WeakPolarHBondContact O-CA 3.43Å; H62-S130 WeakPolarHBondContact O-CB 3.39Å; A63-S130 WeakPolarHBondContact O-CA 3.5Å; A63-S130 WeakPolarHBondContact O-CB 3.17Å; A63-S130 PolarHBondContact O-N 3.48Å; G64-S130 WeakPolarHBondContact O-CB 3.43Å; V67-S130 WeakPolarHBondContact CG2-O 3.45Å; V67-S130 WeakPolarHBondContact CG2-OG 3.34Å; V67-S130 PolarHBondContact N-OG 2.98Å; D128-S130 WeakPolarHBondContact OD1-CB 3.43Å; D128-S130 PolarHBondContact OD1-N 2.92Å; D128-S130 PolarHBondContact OD1-OG 3.34Å; S130-D204 PolarHBondContact O-N 3.48Å
131G98.5Very high90.9Very high0 Ų041.1 Ų41.10%021%0.208CC..EExtended strand (participates in β ladder)trans-126.9175.8160.800000109.3H62 L202H62-G131 PolarHBondContact N-O 2.92Å; H62-G131 VanDerWaalsContact NE2-CA 3.34Å; H62-G131 WeakPolarHBondContact NE2-CA 3.5Å; H62-G131 PolarHBondContact O-N 3.46Å; G131-L202 CarbonylContact C-O 3.57Å; G131-L202 WeakPolarHBondContact CA-O 3.26Å
132S98.9Very high92.2Very high0 Ų044.5 Ų44.50%021%0.214CC..EExtended strand (participates in β ladder)trans-152.3143.7170.7-167.30000111.7D60 A68 A201 L202D60-S132 VanDerWaalsContact C-OG 3.3Å; D60-S132 CarbonylContact O-C 3.56Å; D60-S132 WeakPolarHBondContact O-CA 3.48Å; D60-S132 WeakPolarHBondContact O-CB 3.44Å; D60-S132 PolarHBondContact O-OG 2.84Å; A68-S132 WeakPolarHBondContact CB-OG 3.3Å; S132-A201 WeakPolarHBondContact O-CA 3.4Å; S132-A201 WeakPolarHBondContact O-CB 3.43Å; S132-L202 PolarHBondContact N-O 3.45Å; S132-L202 PolarHBondContact O-N 2.82Å
133T98.9Very high93.4Very high2 Ų244 Ų441%0.01221%0.21CC..  trans-67.6168161.677.80000110.1D60 C149 S152 V198D60-T133 HydrophobicContact CB-CG2 3.98Å; D60-T133 WeakPolarHBondContact CB-OG1 3.3Å; D60-T133 PolarHBondContact N-OG1 3.17Å; D60-T133 PolarHBondContact O-N 3.07Å; T133-C149 CarbonylContact C-O 3.59Å; T133-C149 WeakPolarHBondContact CA-O 3.47Å; T133-S152 PolarHBondContact OG1-OG 3.25Å; T133-V198 HydrophobicContact CG2-CG1 4.43Å
134A98.9Very high94.4Very high3 Ų343.5 Ų43.53%0.02521%0.207CC..EExtended strand (participates in β ladder)trans-147123.416000000109.4Y59 L75 F110 N148 C149Y59-A134 HydrophobicContact CD1-CB 3.7Å; Y59-A134 HydrophobicContact CE1-CB 3.86Å; L75-A134 HydrophobicContact CD2-CB 4.38Å; F110-A134 HydrophobicContact CE1-CB 3.88Å; F110-A134 HydrophobicContact CZ-CB 3.95Å; A134-N148 CarbonylContact O-C 3.59Å; A134-C149 PolarHBondContact N-O 2.88Å; A134-C149 PolarHBondContact O-N 2.86Å
135V99Very high95.5Very high1 Ų134.8 Ų34.81%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-119134.1165.972.50000109.1A57 V58 I147 N148 A154 T166 L240A57-V135 CarbonylContact C-O 3.48Å; A57-V135 WeakPolarHBondContact CA-O 3.17Å; A57-V135 WeakPolarHBondContact CB-O 3.25Å; V58-V135 HydrophobicContact CB-CG1 4.07Å; V58-V135 PolarHBondContact N-O 3.4Å; V58-V135 PolarHBondContact O-N 2.99Å; V135-I147 CarbonylContact C-O 3.52Å; V135-I147 WeakPolarHBondContact CA-O 3.2Å; V135-N148 HydrophobicContact CG2-CB 4.44Å; V135-A154 HydrophobicContact CG2-CB 3.59Å; V135-T166 HydrophobicContact CG2-CG2 4.29Å; V135-L240 HydrophobicContact CG1-CB 4.42Å
136G98.9Very high96.4Very high2 Ų229.3 Ų29.32%0.02115%0.145CC..EExtended strand (participates in β ladder)trans-154.1164.2-173.200000113.9F56 I147 L240F56-G136 CarbonylContact O-C 3.52Å; F56-G136 WeakPolarHBondContact O-CA 3.47Å; G136-I147 PolarHBondContact N-O 2.96Å; G136-I147 PolarHBondContact O-N 2.83Å; G136-L240 VanDerWaalsContact CA-CD2 3.43Å
137V98.9Very high97.4Very high0 Ų028.3 Ų28.30%013%0.134CC..EExtended strand (participates in β ladder)trans-127.8131.8166.5-65.30000110.1F55 F56 I139 I144 Y145 F146 I238 L240F55-V137 WeakPolarHBondContact CA-O 3.47Å; F55-V137 WeakPolarHBondContact CD2-O 3.34Å; F56-V137 HydrophobicContact CB-CG2 4.06Å; F56-V137 HydrophobicContact CD2-CG2 4.17Å; F56-V137 PolarHBondContact N-O 2.76Å; F56-V137 PolarHBondContact O-N 3.45Å; V137-I139 HydrophobicContact CB-CG1 4.31Å; V137-I139 HydrophobicContact CG2-CD1 3.99Å; V137-I139 HydrophobicContact CG2-CG1 4.08Å; V137-I144 HydrophobicContact CB-CG2 4.22Å; V137-I144 HydrophobicContact CG1-CG2 4.18Å; V137-Y145 CarbonylContact C-O 3.51Å; V137-Y145 VanDerWaalsContact CA-O 3.28Å; V137-Y145 WeakPolarHBondContact CA-O 3.27Å; V137-F146 HydrophobicContact CG1-CD1 3.49Å; V137-F146 VanDerWaalsContact CG1-CD1 3.49Å; V137-F146 HydrophobicContact CG1-CE1 3.5Å; V137-F146 VanDerWaalsContact CG1-CE1 3.5Å; V137-F146 HydrophobicContact CG1-CG 4.02Å; V137-F146 HydrophobicContact CG1-CZ 4.01Å; V137-I238 HydrophobicContact CG1-CD1 4.37Å; V137-I238 HydrophobicContact CG1-CG2 4.08Å; V137-I238 HydrophobicContact CG2-CD1 4.43Å; V137-I238 HydrophobicContact CG2-CG2 4.43Å; V137-L240 HydrophobicContact CG1-CD2 4.35Å; V137-L240 HydrophobicContact CG2-CD1 4.19Å; V137-L240 HydrophobicContact CG2-CD2 4.27Å
138M98.8Very high98Very high0 Ų021.4 Ų21.40%010%0.1CC..EExtended strand (participates in β ladder)trans-104.2117.4165.1-172.9176-122.600107.7I46 W53 F55 L76 I79 T80 F85 V102 Y145 I147I46-M138 HydrophobicContact CD1-CE 3.72Å; W53-M138 HydrophobicContact CE3-CG 3.78Å; W53-M138 HydrophobicContact CE3-SD 4.03Å; W53-M138 HydrophobicContact CZ3-CG 4.05Å; W53-M138 HydrophobicContact CZ3-SD 3.95Å; F55-M138 HydrophobicContact CD2-CB 4.15Å; L76-M138 HydrophobicContact CD1-CE 3.83Å; I79-M138 HydrophobicContact CG2-CE 4.37Å; T80-M138 HydrophobicContact CG2-CE 3.6Å; F85-M138 HydrophobicContact CE2-CE 4.05Å; F85-M138 HydrophobicContact CE2-SD 3.86Å; F85-M138 HydrophobicContact CZ-CE 3.95Å; F85-M138 HydrophobicContact CZ-SD 4.1Å; V102-M138 HydrophobicContact CG1-SD 4.19Å; M138-Y145 PolarHBondContact N-O 3.1Å; M138-Y145 WeakPolarHBondContact O-CD2 3.44Å; M138-Y145 PolarHBondContact O-N 3.43Å; M138-I147 HydrophobicContact CB-CD1 4.37Å
139I98.8Very high98.4Very high2 Ų219.8 Ų19.81%0.019%0.092CC..EExtended strand (participates in β ladder)trans-109.5115.5-173.4-55.9172.6000108.1L22 W53 S54 F56 V137 I144 I238 V293 F295L22-I139 HydrophobicContact CD1-CB 4.47Å; L22-I139 HydrophobicContact CD1-CD1 3.87Å; L22-I139 HydrophobicContact CD1-CG2 4.25Å; W53-I139 CarbonylContact C-O 3.5Å; W53-I139 WeakPolarHBondContact CA-O 3.34Å; S54-I139 PolarHBondContact N-O 3.22Å; S54-I139 PolarHBondContact O-N 2.91Å; F56-I139 HydrophobicContact CD2-CD1 4.26Å; F56-I139 HydrophobicContact CE2-CD1 4.27Å; V137-I139 HydrophobicContact CB-CG1 4.31Å; V137-I139 HydrophobicContact CG2-CD1 3.99Å; V137-I139 HydrophobicContact CG2-CG1 4.08Å; I139-I144 HydrophobicContact CG1-CG2 4.3Å; I139-I144 HydrophobicContact CG2-CG1 4.45Å; I139-I238 HydrophobicContact CD1-CD1 4.26Å; I139-V293 HydrophobicContact CD1-CG1 4.2Å; I139-F295 HydrophobicContact CD1-CZ 4.44Å
140S98.3Very high98.6Very high3 Ų312.7 Ų12.72%0.0217%0.065CC..  trans-96.5176.1171.671.10000110.4W53 K142 H143 R231W53-S140 VanDerWaalsContact CE2-CB 3.48Å; W53-S140 VanDerWaalsContact CZ2-CB 3.45Å; S140-K142 PolarHBondContact O-N 3.19Å; S140-K142 VanDerWaalsContact O-N 3.14Å; S140-K142 PolarHBondContact OG-N 2.85Å; S140-H143 PolarHBondContact N-O 2.88Å; S140-H143 WeakPolarHBondContact OG-CA 3.48Å; S140-H143 PolarHBondContact OG-N 2.88Å; S140-H143 PolarHBondContact OG-O 2.84Å; S140-R231 WeakPolarHBondContact O-CD 3.46Å; S140-R231 PolarHBondContact O-NH1 2.77Å
141P97.4Very high98.7Very high70 Ų7012.9 Ų12.946%0.4557%0.066SC..SBendtrans-56.2-27.9172-30.138000114.6D52D52-P141 HydrophobicContact CB-CG 3.8Å
142K97.8Very high98.7Very high138 Ų13812.9 Ų12.960%0.67%0.066SC*.SBendtrans-117.9-23.8-173-68.7-178.1179.2173.80115.3S140 R231S140-K142 PolarHBondContact O-N 3.19Å; S140-K142 VanDerWaalsContact O-N 3.14Å; S140-K142 PolarHBondContact OG-N 2.85Å; K142-R231 WeakPolarHBondContact O-CB 3.4Å; K142-R231 PolarHBondContact O-N 2.94Å
143H98.7Very high98.7Very high36 Ų3614.7 Ų14.717%0.1677%0.073CC..EExtended strand (participates in β ladder)trans-133.2150.1-172.3-53.797.8000111.5S140 Y145 E228 I229 L230S140-H143 PolarHBondContact N-O 2.88Å; S140-H143 WeakPolarHBondContact OG-CA 3.48Å; S140-H143 PolarHBondContact OG-N 2.88Å; S140-H143 PolarHBondContact OG-O 2.84Å; H143-Y145 HydrophobicContact CB-CD2 4.24Å; H143-Y145 HydrophobicContact CB-CE1 4.48Å; H143-Y145 HydrophobicContact CB-CE2 3.59Å; H143-Y145 PolarHBondContact ND1-OH 3.1Å; H143-E228 HydrophobicContact CB-CG 4.28Å; H143-E228 IonicContact CD2-OE1 3.16Å; H143-E228 PolarHBondContact CD2-OE1 3.45Å; H143-E228 VanDerWaalsContact CD2-OE1 3.23Å; H143-E228 IonicContact NE2-OE1 2.66Å; H143-I229 CarbonylContact C-O 3.5Å; H143-I229 VanDerWaalsContact CA-O 3.32Å; H143-I229 WeakPolarHBondContact CA-O 3.32Å; H143-L230 VanDerWaalsContact CD2-CD2 3.43Å; H143-L230 WeakPolarHBondContact CD2-CD2 3.34Å; H143-L230 VanDerWaalsContact NE2-CD2 3.3Å; H143-L230 WeakPolarHBondContact NE2-CD2 3.44Å
144I98.9Very high98.7Very high0 Ų014.6 Ų14.60%07%0.072CC..EExtended strand (participates in β ladder)trans-107.7122.6164-56.3153.9000106.6V137 I139 F146 L156 I229 R231 I238 F295V137-I144 HydrophobicContact CB-CG2 4.22Å; V137-I144 HydrophobicContact CG1-CG2 4.18Å; I139-I144 HydrophobicContact CG1-CG2 4.3Å; I139-I144 HydrophobicContact CG2-CG1 4.45Å; I144-F146 HydrophobicContact CB-CE2 4.07Å; I144-F146 HydrophobicContact CG2-CD2 3.77Å; I144-F146 HydrophobicContact CG2-CE2 3.29Å; I144-F146 HydrophobicContact CG2-CZ 3.81Å; I144-L156 HydrophobicContact CD1-CD1 4.27Å; I144-L156 HydrophobicContact CD1-CD2 4.39Å; I144-I229 PolarHBondContact N-O 3Å; I144-I229 PolarHBondContact O-N 3.3Å; I144-R231 HydrophobicContact CD1-CG 4.01Å; I144-R231 HydrophobicContact CG1-CG 3.72Å; I144-I238 HydrophobicContact CD1-CD1 4.23Å; I144-I238 HydrophobicContact CG2-CD1 3.83Å; I144-F295 HydrophobicContact CD1-CE1 4.4Å; I144-F295 HydrophobicContact CD1-CE2 4.35Å; I144-F295 HydrophobicContact CD1-CZ 3.66Å; I144-F295 HydrophobicContact CG1-CZ 4.16Å
145Y98.9Very high98.7Very high2 Ų214.5 Ų14.51%0.0087%0.071CC..EExtended strand (participates in β ladder)trans-103.4104.7174-59.4-89.1000108.6W53 V99 V102 V137 M138 H143 Y227 E228W53-Y145 HydrophobicContact CH2-CE2 4.13Å; W53-Y145 HydrophobicContact CZ3-CD2 4.35Å; W53-Y145 AromaticContact CZ3-CE2 3.97Å; W53-Y145 HydrophobicContact CZ3-CE2 3.97Å; V99-Y145 HydrophobicContact CG1-CE1 4.22Å; V102-Y145 HydrophobicContact CB-CD1 4.34Å; V102-Y145 HydrophobicContact CB-CE1 3.92Å; V102-Y145 HydrophobicContact CB-CE2 4.33Å; V102-Y145 HydrophobicContact CG1-CD1 3.73Å; V102-Y145 HydrophobicContact CG1-CD2 3.78Å; V102-Y145 HydrophobicContact CG1-CE1 3.78Å; V102-Y145 HydrophobicContact CG1-CE2 3.82Å; V102-Y145 HydrophobicContact CG1-CG 3.74Å; V102-Y145 HydrophobicContact CG2-CE1 4.48Å; V102-Y145 HydrophobicContact CG2-CE2 4.23Å; V137-Y145 CarbonylContact C-O 3.51Å; V137-Y145 VanDerWaalsContact CA-O 3.28Å; V137-Y145 WeakPolarHBondContact CA-O 3.27Å; M138-Y145 PolarHBondContact N-O 3.1Å; M138-Y145 WeakPolarHBondContact O-CD2 3.44Å; M138-Y145 PolarHBondContact O-N 3.43Å; H143-Y145 HydrophobicContact CB-CD2 4.24Å; H143-Y145 HydrophobicContact CB-CE1 4.48Å; H143-Y145 HydrophobicContact CB-CE2 3.59Å; H143-Y145 PolarHBondContact ND1-OH 3.1Å; Y145-Y227 CarbonylContact C-O 3.58Å; Y145-Y227 WeakPolarHBondContact CA-O 3.49Å; Y145-E228 HydrophobicContact CD1-CB 3.8Å; Y145-E228 HydrophobicContact CD1-CG 4.28Å; Y145-E228 HydrophobicContact CE1-CB 3.76Å; Y145-E228 HydrophobicContact CE1-CG 3.84Å
146F98.9Very high98.7Very high0 Ų014.4 Ų14.40%07%0.071CC..EExtended strand (participates in β ladder)trans-76.8133.8170.8-73-94000109.7V137 I144 A154 L156 F164 T166 V226 Y227 I229 I238V137-F146 HydrophobicContact CG1-CD1 3.49Å; V137-F146 VanDerWaalsContact CG1-CD1 3.49Å; V137-F146 HydrophobicContact CG1-CE1 3.5Å; V137-F146 VanDerWaalsContact CG1-CE1 3.5Å; V137-F146 HydrophobicContact CG1-CG 4.02Å; V137-F146 HydrophobicContact CG1-CZ 4.01Å; I144-F146 HydrophobicContact CB-CE2 4.07Å; I144-F146 HydrophobicContact CG2-CD2 3.77Å; I144-F146 HydrophobicContact CG2-CE2 3.29Å; I144-F146 HydrophobicContact CG2-CZ 3.81Å; F146-A154 HydrophobicContact CD1-CB 3.89Å; F146-A154 HydrophobicContact CE1-CB 4.07Å; F146-L156 HydrophobicContact CE2-CB 4.24Å; F146-L156 HydrophobicContact CZ-CB 3.7Å; F146-F164 HydrophobicContact CB-CD1 4.32Å; F146-F164 HydrophobicContact CB-CE1 3.52Å; F146-F164 HydrophobicContact CB-CZ 4.16Å; F146-F164 AromaticContact CD1-CD1 3.87Å; F146-F164 HydrophobicContact CD1-CD1 3.87Å; F146-F164 AromaticContact CD1-CE1 3.73Å; F146-F164 HydrophobicContact CD1-CE1 3.73Å; F146-F164 AromaticContact CD2-CD1 3.69Å; F146-F164 HydrophobicContact CD2-CD1 3.69Å; F146-F164 AromaticContact CD2-CE1 3.77Å; F146-F164 HydrophobicContact CD2-CE1 3.77Å; F146-F164 HydrophobicContact CE1-CD1 4.12Å; F146-F164 HydrophobicContact CE1-CE1 4.44Å; F146-F164 AromaticContact CE2-CD1 3.96Å; F146-F164 HydrophobicContact CE2-CD1 3.96Å; F146-F164 HydrophobicContact CE2-CE1 4.47Å; F146-F164 AromaticContact CG-CD1 3.67Å; F146-F164 HydrophobicContact CG-CD1 3.67Å; F146-F164 AromaticContact CG-CE1 3.37Å; F146-F164 HydrophobicContact CG-CE1 3.37Å; F146-F164 HydrophobicContact CG-CZ 4.39Å; F146-F164 HydrophobicContact CZ-CD1 4.19Å; F146-T166 HydrophobicContact CB-CG2 4.09Å; F146-T166 HydrophobicContact CD1-CG2 4.24Å; F146-V226 CarbonylContact O-C 3.41Å; F146-V226 VanDerWaalsContact O-CA 3.27Å; F146-V226 WeakPolarHBondContact O-CA 3.2Å; F146-Y227 PolarHBondContact N-O 3.24Å; F146-Y227 PolarHBondContact O-N 3.29Å; F146-I229 HydrophobicContact CD2-CD1 3.92Å; F146-I229 HydrophobicContact CD2-CG1 4.44Å; F146-I229 HydrophobicContact CE2-CD1 3.83Å; F146-I238 HydrophobicContact CE1-CG2 4.07Å; F146-I238 HydrophobicContact CZ-CD1 3.97Å; F146-I238 HydrophobicContact CZ-CG1 4.01Å; F146-I238 HydrophobicContact CZ-CG2 4.4Å
147I98.9Very high98.7Very high4 Ų414.4 Ų14.42%0.0217%0.07CC..EExtended strand (participates in β ladder)trans-128.2124.9-174.6-54.5169000107F55 I106 F110 V135 G136 M138 P224 E225 V226F55-I147 HydrophobicContact CE2-CD1 4.15Å; I106-I147 HydrophobicContact CD1-CD1 3.61Å; I106-I147 HydrophobicContact CD1-CG1 3.92Å; I106-I147 HydrophobicContact CG1-CD1 3.93Å; I106-I147 HydrophobicContact CG2-CD1 3.95Å; I106-I147 HydrophobicContact CG2-CG1 4.1Å; I106-I147 HydrophobicContact CG2-CG2 3.77Å; F110-I147 HydrophobicContact CE2-CG2 3.62Å; F110-I147 HydrophobicContact CZ-CG2 3.66Å; V135-I147 CarbonylContact C-O 3.52Å; V135-I147 WeakPolarHBondContact CA-O 3.2Å; G136-I147 PolarHBondContact N-O 2.96Å; G136-I147 PolarHBondContact O-N 2.83Å; M138-I147 HydrophobicContact CB-CD1 4.37Å; I147-P224 HydrophobicContact CG2-CB 4Å; I147-E225 WeakPolarHBondContact CA-O 3.3Å; I147-V226 HydrophobicContact CG1-CG1 4.44Å
148N98.9Very high98.7Very high3 Ų316.7 Ų16.72%0.0168%0.079CC..EExtended strand (participates in β ladder)trans-135.3135.8175.5-168.940.7000112.8A134 V135 G150 S152 T166 Q167 H169 P224 E225A134-N148 CarbonylContact O-C 3.59Å; V135-N148 HydrophobicContact CG2-CB 4.44Å; N148-G150 PolarHBondContact ND2-O 3.43Å; N148-S152 PolarHBondContact OD1-O 3.02Å; N148-S152 VanDerWaalsContact OD1-O 3.06Å; N148-T166 HydrophobicContact CB-CG2 3.9Å; N148-Q167 PolarHBondContact ND2-O 2.87Å; N148-H169 PolarHBondContact ND2-ND1 2.68Å; N148-H169 VanDerWaalsContact ND2-ND1 3.19Å; N148-H169 PolarHBondContact O-CE1 3.41Å; N148-P224 CarbonylContact O-C 3.51Å; N148-P224 VanDerWaalsContact O-CA 3.32Å; N148-P224 WeakPolarHBondContact O-CA 3.3Å; N148-E225 PolarHBondContact N-O 3.43Å; N148-E225 PolarHBondContact O-N 2.92Å
149C98.9Very high98.7Very high0 Ų022.7 Ų22.70%011%0.111CC..EExtended strand (participates in β ladder)trans-14790.5171.8-170.60000108.3F110 T133 A134 P224F110-C149 HydrophobicContact CD1-CB 4.14Å; F110-C149 HydrophobicContact CE1-CB 3.6Å; F110-C149 HydrophobicContact CZ-CB 4.48Å; T133-C149 CarbonylContact C-O 3.59Å; T133-C149 WeakPolarHBondContact CA-O 3.47Å; A134-C149 PolarHBondContact N-O 2.88Å; A134-C149 PolarHBondContact O-N 2.86Å; C149-P224 HydrophobicContact CB-CB 4.34Å
150G98.8Very high98.7Very high0 Ų023.8 Ų23.80%012%0.123CC..SBendtrans129-162.4-17200000112.5N148 H169 R200N148-G150 PolarHBondContact ND2-O 3.43Å; G150-H169 PolarHBondContact N-ND1 3.27Å; G150-H169 WeakPolarHBondContact O-CB 3.43Å; G150-H169 PolarHBondContact O-N 2.87Å; G150-H169 PolarHBondContact O-ND1 3.22Å; G150-R200 VanDerWaalsContact CA-O 3.3Å; G150-R200 WeakPolarHBondContact CA-O 3.09Å
151D98.8Very high98.7Very high5 Ų530.4 Ų30.43%0.02715%0.153CC..SBendtrans-113.57.4-179.858.2-8.3000114.6D168 K170 V198D151-D168 HydrophobicContact CB-CB 3.98Å; D151-K170 HydrophobicContact CB-CD 3.71Å; D151-K170 IonicContact OD2-NZ 3.06Å; D151-K170 PolarHBondContact OD2-NZ 2.82Å; D151-V198 HydrophobicContact CB-CG1 4.3Å; D151-V198 WeakPolarHBondContact OD1-CG1 3.23Å; D151-V198 WeakPolarHBondContact OD2-CG1 3.29Å
152S98.9Very high98.7Very high0 Ų029 Ų290%014%0.144CC..  trans-62.2154.5151.8-49.80000109.9D60 T133 N148 A241D60-S152 WeakPolarHBondContact CB-OG 3.42Å; T133-S152 PolarHBondContact OG1-OG 3.25Å; N148-S152 PolarHBondContact OD1-O 3.02Å; N148-S152 VanDerWaalsContact OD1-O 3.06Å; S152-A241 WeakPolarHBondContact CB-O 3.45Å
153R98.9Very high98.8Very high38 Ų3825.5 Ų25.514%0.14314%0.136CC..EExtended strand (participates in β ladder)trans-140.6145.8-170.3-162.7-170-58.3146.49.9112.7S165 T166 D168 A241 W246 N251R153-S165 WeakPolarHBondContact CD-OG 3.47Å; R153-T166 WeakPolarHBondContact CA-OG1 3.27Å; R153-T166 WeakPolarHBondContact CG-OG1 3.45Å; R153-D168 IonicContact CZ-OD1 3.72Å; R153-D168 IonicContact CZ-OD2 3.76Å; R153-D168 IonicContact NE-OD1 3.8Å; R153-D168 PolarHBondContact NE-OD1 3.35Å; R153-D168 IonicContact NE-OD2 2.87Å; R153-D168 PolarHBondContact NE-OD2 3.35Å; R153-D168 IonicContact NH2-OD1 3.9Å; R153-D168 IonicContact NH2-OD2 3.32Å; R153-D168 PolarHBondContact NH2-OD2 2.61Å; R153-A241 PolarHBondContact N-O 3.12Å; R153-A241 PolarHBondContact O-N 2.88Å; R153-W246 HydrophobicContact CB-CD2 4.18Å; R153-W246 HydrophobicContact CB-CG 4.1Å; R153-W246 HydrophobicContact CB-CZ2 4.33Å; R153-W246 PolarHBondContact O-NE1 2.85Å; R153-W246 VanDerWaalsContact O-NE1 3.13Å; R153-N251 WeakPolarHBondContact CD-OD1 3.41Å; R153-N251 PolarHBondContact NH1-OD1 3.28Å
154A98.9Very high98.8Very high0 Ų025.4 Ų25.40%014%0.135CC..EExtended strand (participates in β ladder)trans-125.5141.8173.200000110.9V135 F146 S165 T166 I239 L240V135-A154 HydrophobicContact CG2-CB 3.59Å; F146-A154 HydrophobicContact CD1-CB 3.89Å; F146-A154 HydrophobicContact CE1-CB 4.07Å; A154-S165 WeakPolarHBondContact O-CA 3.35Å; A154-T166 HydrophobicContact CB-CG2 4.2Å; A154-T166 PolarHBondContact N-OG1 2.86Å; A154-T166 PolarHBondContact O-N 3.34Å; A154-T166 PolarHBondContact O-OG1 3.23Å; A154-I239 CarbonylContact C-O 3.57Å; A154-I239 WeakPolarHBondContact CA-O 3.43Å; A154-L240 HydrophobicContact CB-CB 4.43Å; A154-L240 HydrophobicContact CB-CD2 4.21Å; A154-L240 HydrophobicContact CB-CG 3.93Å
155V98.9Very high98.8Very high0 Ų026.8 Ų26.80%014%0.144CC..EExtended strand (participates in β ladder)trans-132.3139.2-177.267.80000110.5V162 F164 I238 I239 W246V155-V162 HydrophobicContact CG2-CB 4.42Å; V155-V162 HydrophobicContact CG2-CG1 3.55Å; V155-V162 HydrophobicContact CG2-CG2 4.24Å; V155-F164 CarbonylContact C-O 3.6Å; V155-F164 VanDerWaalsContact CA-O 3.28Å; V155-F164 WeakPolarHBondContact CA-O 3.48Å; V155-F164 WeakPolarHBondContact CG2-O 3.35Å; V155-I238 VanDerWaalsContact O-CA 3.27Å; V155-I238 WeakPolarHBondContact O-CA 3.33Å; V155-I239 HydrophobicContact CG1-CB 3.82Å; V155-I239 HydrophobicContact CG1-CD1 4.3Å; V155-I239 PolarHBondContact N-O 2.91Å; V155-I239 PolarHBondContact O-N 3.28Å; V155-W246 HydrophobicContact CB-CH2 4.38Å; V155-W246 HydrophobicContact CG1-CH2 3.75Å; V155-W246 HydrophobicContact CG1-CZ2 4.41Å
156L98.9Very high98.8Very high0 Ų027 Ų270%015%0.146CC..EExtended strand (participates in β ladder)trans-99127.7169.4-179.559.1000109.4I144 F146 C163 F164 I229 I238 F295I144-L156 HydrophobicContact CD1-CD1 4.27Å; I144-L156 HydrophobicContact CD1-CD2 4.39Å; F146-L156 HydrophobicContact CE2-CB 4.24Å; F146-L156 HydrophobicContact CZ-CB 3.7Å; L156-C163 HydrophobicContact CD2-CB 4.31Å; L156-C163 HydrophobicContact CG-CB 4.25Å; L156-C163 PolarHBondContact O-N 2.9Å; L156-F164 HydrophobicContact CB-CB 4.16Å; L156-F164 PolarHBondContact N-O 3.15Å; L156-F164 PolarHBondContact O-N 2.95Å; L156-I229 HydrophobicContact CD2-CD1 4.27Å; L156-I229 HydrophobicContact CD2-CG2 4.13Å; L156-I238 HydrophobicContact CD1-CD1 4.23Å; L156-I238 HydrophobicContact CD1-CG1 3.63Å; L156-F295 HydrophobicContact CD1-CE2 4.2Å
157Y98.9Very high98.8Very high1 Ų132.8 Ų32.80%0.00417%0.173CC..EExtended strand (participates in β ladder)trans-106125.8168.9-163.2-102.1000109.8G160 Q161 V162 E236 F237 C255 E256 K259Y157-G160 VanDerWaalsContact CE1-CA 3.46Å; Y157-G160 VanDerWaalsContact CZ-CA 3.48Å; Y157-G160 WeakPolarHBondContact OH-CA 3.27Å; Y157-G160 PolarHBondContact OH-O 2.64Å; Y157-Q161 WeakPolarHBondContact CA-O 3.13Å; Y157-Q161 VanDerWaalsContact CD2-O 3.3Å; Y157-Q161 WeakPolarHBondContact CD2-O 3.34Å; Y157-Q161 VanDerWaalsContact CE2-C 3.48Å; Y157-V162 HydrophobicContact CD2-CG2 4.48Å; Y157-E236 HydrophobicContact CD1-CB 4.16Å; Y157-E236 PolarHBondContact O-N 3.31Å; Y157-E236 VanDerWaalsContact O-N 3.13Å; Y157-F237 VanDerWaalsContact CB-CE2 3.41Å; Y157-F237 HydrophobicContact CD1-CD1 4.17Å; Y157-F237 AromaticContact CD1-CE1 3.39Å; Y157-F237 HydrophobicContact CD1-CE1 3.39Å; Y157-F237 HydrophobicContact CD1-CE2 4.24Å; Y157-F237 AromaticContact CD1-CZ 3.43Å; Y157-F237 HydrophobicContact CD1-CZ 3.43Å; Y157-F237 VanDerWaalsContact CD1-CZ 3.43Å; Y157-F237 HydrophobicContact CD2-CZ 4.15Å; Y157-F237 AromaticContact CE1-CE1 3.98Å; Y157-F237 HydrophobicContact CE1-CE1 3.98Å; Y157-F237 HydrophobicContact CE1-CZ 4.06Å; Y157-F237 AromaticContact CG-CE1 3.89Å; Y157-F237 HydrophobicContact CG-CE1 3.89Å; Y157-F237 AromaticContact CG-CE2 3.87Å; Y157-F237 HydrophobicContact CG-CE2 3.87Å; Y157-F237 AromaticContact CG-CZ 3.45Å; Y157-F237 HydrophobicContact CG-CZ 3.45Å; Y157-F237 VanDerWaalsContact CG-CZ 3.45Å; Y157-F237 PolarHBondContact N-O 2.76Å; Y157-F237 PolarHBondContact O-N 3.43Å; Y157-C255 HydrophobicContact CD2-CB 3.44Å; Y157-C255 VanDerWaalsContact CD2-CB 3.44Å; Y157-C255 HydrophobicContact CE2-CB 3.63Å; Y157-C255 HydrophobicContact CG-CB 4.31Å; Y157-E256 PolarHBondContact OH-OE1 2.93Å; Y157-K259 HydrophobicContact CE1-CD 4.12Å; Y157-K259 WeakPolarHBondContact OH-CD 3.34Å
158R98.8Very high98.7Very high48 Ų4834.1 Ų34.118%0.18118%0.18CC..EExtended strand (participates in β ladder)trans-144.3131.3-174.6-179.5-175.6-71.8-175.1-7.7109.1G160 Q161 C163 L230 E234 D235R158-G160 VanDerWaalsContact C-N 3.29Å; R158-G160 PolarHBondContact O-N 2.91Å; R158-Q161 PolarHBondContact N-O 2.83Å; R158-Q161 PolarHBondContact O-N 3.46Å; R158-C163 HydrophobicContact CB-CB 3.71Å; R158-L230 PolarHBondContact NH2-O 3.01Å; R158-E234 WeakPolarHBondContact CA-O 3.36Å; R158-E234 HydrophobicContact CG-CB 3.69Å; R158-E234 WeakPolarHBondContact CG-O 3.41Å; R158-D235 IonicContact CZ-OD1 2.83Å; R158-D235 IonicContact NE-OD1 3.57Å; R158-D235 PolarHBondContact NE-OD1 2.66Å; R158-D235 VanDerWaalsContact NH2-CG 3.28Å; R158-D235 IonicContact NH2-OD1 3.5Å; R158-D235 PolarHBondContact NH2-OD1 3.19Å; R158-D235 IonicContact NH2-OD2 2.67Å; R158-D235 PolarHBondContact NH2-OD2 3.41Å; R158-D235 VanDerWaalsContact NH2-OD2 3.14Å
159N98.2Very high98.7Very high126 Ų12634.2 Ų34.267%0.67418%0.18SC*.THydrogen-bonded Turntrans50.944.4179.1-166.745.1000114.2Q161 E234 E236N159-Q161 VanDerWaalsContact C-N 3.34Å; N159-Q161 PolarHBondContact O-N 3.22Å; N159-E234 HydrophobicContact CB-CB 4.11Å; N159-E234 PolarHBondContact N-O 3.41Å; N159-E236 WeakPolarHBondContact CA-OE1 3.43Å; N159-E236 PolarHBondContact N-OE1 3.47Å
160G98.1Very high98.7Very high26 Ų2636.2 Ų36.227%0.26819%0.189SC..THydrogen-bonded Turntrans74.918.2176.300000114.6Y157 R158 E236Y157-G160 VanDerWaalsContact CE1-CA 3.46Å; Y157-G160 VanDerWaalsContact CZ-CA 3.48Å; Y157-G160 WeakPolarHBondContact OH-CA 3.27Å; Y157-G160 PolarHBondContact OH-O 2.64Å; R158-G160 VanDerWaalsContact C-N 3.29Å; R158-G160 PolarHBondContact O-N 2.91Å; G160-E236 PolarHBondContact N-OE1 2.66Å
161Q98.4Very high98.7Very high141 Ų14136.2 Ų36.266%0.65919%0.189SC*.EExtended strand (participates in β ladder)trans-146154.8-178.1-63.2-169-23.800113Y157 R158 N159 C163Y157-Q161 WeakPolarHBondContact CA-O 3.13Å; Y157-Q161 VanDerWaalsContact CD2-O 3.3Å; Y157-Q161 WeakPolarHBondContact CD2-O 3.34Å; Y157-Q161 VanDerWaalsContact CE2-C 3.48Å; R158-Q161 PolarHBondContact N-O 2.83Å; R158-Q161 PolarHBondContact O-N 3.46Å; N159-Q161 VanDerWaalsContact C-N 3.34Å; N159-Q161 PolarHBondContact O-N 3.22Å; Q161-C163 PolarHBondContact O-N 3.2Å; Q161-C163 VanDerWaalsContact O-N 3.12Å
162V98.8Very high98.7Very high41 Ų4138.9 Ų38.925%0.24821%0.207CC..EExtended strand (participates in β ladder)trans-62.8110.7166.1175.30000108.6V155 Y157 N251 E252 C255V155-V162 HydrophobicContact CG2-CB 4.42Å; V155-V162 HydrophobicContact CG2-CG1 3.55Å; V155-V162 HydrophobicContact CG2-CG2 4.24Å; Y157-V162 HydrophobicContact CD2-CG2 4.48Å; V162-N251 HydrophobicContact CG1-CB 4.5Å; V162-N251 HydrophobicContact CG2-CB 4.31Å; V162-E252 HydrophobicContact CG2-CG 4.21Å; V162-C255 HydrophobicContact CG2-CB 4.15Å
163C98.6Very high98.7Very high64 Ų6441.4 Ų41.443%0.43222%0.221SC..EExtended strand (participates in β ladder)trans-93.4-36.1-177.4175.30000112.4L156 R158 Q161L156-C163 HydrophobicContact CD2-CB 4.31Å; L156-C163 HydrophobicContact CG-CB 4.25Å; L156-C163 PolarHBondContact O-N 2.9Å; R158-C163 HydrophobicContact CB-CB 3.71Å; Q161-C163 PolarHBondContact O-N 3.2Å; Q161-C163 VanDerWaalsContact O-N 3.12Å
164F98.9Very high98.6Very high35 Ų3544.9 Ų44.915%0.15425%0.249CC..EExtended strand (participates in β ladder)trans-151.6148178.3174-94000110.4F146 V155 L156 T166 Y227 I229F146-F164 HydrophobicContact CB-CD1 4.32Å; F146-F164 HydrophobicContact CB-CE1 3.52Å; F146-F164 HydrophobicContact CB-CZ 4.16Å; F146-F164 AromaticContact CD1-CD1 3.87Å; F146-F164 HydrophobicContact CD1-CD1 3.87Å; F146-F164 AromaticContact CD1-CE1 3.73Å; F146-F164 HydrophobicContact CD1-CE1 3.73Å; F146-F164 AromaticContact CD2-CD1 3.69Å; F146-F164 HydrophobicContact CD2-CD1 3.69Å; F146-F164 AromaticContact CD2-CE1 3.77Å; F146-F164 HydrophobicContact CD2-CE1 3.77Å; F146-F164 HydrophobicContact CE1-CD1 4.12Å; F146-F164 HydrophobicContact CE1-CE1 4.44Å; F146-F164 AromaticContact CE2-CD1 3.96Å; F146-F164 HydrophobicContact CE2-CD1 3.96Å; F146-F164 HydrophobicContact CE2-CE1 4.47Å; F146-F164 AromaticContact CG-CD1 3.67Å; F146-F164 HydrophobicContact CG-CD1 3.67Å; F146-F164 AromaticContact CG-CE1 3.37Å; F146-F164 HydrophobicContact CG-CE1 3.37Å; F146-F164 HydrophobicContact CG-CZ 4.39Å; F146-F164 HydrophobicContact CZ-CD1 4.19Å; V155-F164 CarbonylContact C-O 3.6Å; V155-F164 VanDerWaalsContact CA-O 3.28Å; V155-F164 WeakPolarHBondContact CA-O 3.48Å; V155-F164 WeakPolarHBondContact CG2-O 3.35Å; L156-F164 HydrophobicContact CB-CB 4.16Å; L156-F164 PolarHBondContact N-O 3.15Å; L156-F164 PolarHBondContact O-N 2.95Å; F164-T166 HydrophobicContact CE1-CG2 4Å; F164-Y227 HydrophobicContact CE2-CD1 4.03Å; F164-Y227 HydrophobicContact CE2-CD2 4.2Å; F164-Y227 AromaticContact CE2-CG 3.75Å; F164-Y227 HydrophobicContact CE2-CG 3.75Å; F164-Y227 HydrophobicContact CZ-CD1 4.37Å; F164-Y227 AromaticContact CZ-CD2 3.77Å; F164-Y227 HydrophobicContact CZ-CD2 3.77Å; F164-Y227 AromaticContact CZ-CG 3.63Å; F164-Y227 HydrophobicContact CZ-CG 3.63Å; F164-I229 HydrophobicContact CB-CD1 3.38Å; F164-I229 HydrophobicContact CD1-CD1 3.85Å; F164-I229 HydrophobicContact CD2-CD1 3.77Å; F164-I229 HydrophobicContact CG-CD1 3.38Å
165S98.8Very high98.6Very high28 Ų2854.3 Ų54.320%0.19628%0.284CS..EExtended strand (participates in β ladder)trans-137.5141.6169177.20000109R153 A154 N251R153-S165 WeakPolarHBondContact CD-OG 3.47Å; A154-S165 WeakPolarHBondContact O-CA 3.35Å; S165-N251 WeakPolarHBondContact CB-ND2 3.07Å; S165-N251 PolarHBondContact OG-ND2 3.16Å; S165-N251 VanDerWaalsContact OG-ND2 3.16Å
166T98.9Very high98.6Very high7 Ų754.8 Ų54.84%0.04329%0.286CS..PPolyproline II helixtrans-61.7154.9164.257.10000110.1V135 F146 N148 R153 A154 F164V135-T166 HydrophobicContact CG2-CG2 4.29Å; F146-T166 HydrophobicContact CB-CG2 4.09Å; F146-T166 HydrophobicContact CD1-CG2 4.24Å; N148-T166 HydrophobicContact CB-CG2 3.9Å; R153-T166 WeakPolarHBondContact CA-OG1 3.27Å; R153-T166 WeakPolarHBondContact CG-OG1 3.45Å; A154-T166 HydrophobicContact CB-CG2 4.2Å; A154-T166 PolarHBondContact N-OG1 2.86Å; A154-T166 PolarHBondContact O-N 3.34Å; A154-T166 PolarHBondContact O-OG1 3.23Å; F164-T166 HydrophobicContact CE1-CG2 4Å
167Q98.7Very high98.6Very high122 Ų12258.9 Ų58.957%0.5730%0.304SS*.PPolyproline II helixtrans-100.5129.1175.4-61.6-177.810.800109.4N148N148-Q167 PolarHBondContact ND2-O 2.87Å
168D98.8Very high98.6Very high32 Ų3264.1 Ų64.117%0.17133%0.329CS..PPolyproline II helixtrans-69136.7-179-58.62.3000111.1D151 R153 K170 N173D151-D168 HydrophobicContact CB-CB 3.98Å; R153-D168 IonicContact CZ-OD1 3.72Å; R153-D168 IonicContact CZ-OD2 3.76Å; R153-D168 IonicContact NE-OD1 3.8Å; R153-D168 PolarHBondContact NE-OD1 3.35Å; R153-D168 IonicContact NE-OD2 2.87Å; R153-D168 PolarHBondContact NE-OD2 3.35Å; R153-D168 IonicContact NH2-OD1 3.9Å; R153-D168 IonicContact NH2-OD2 3.32Å; R153-D168 PolarHBondContact NH2-OD2 2.61Å; D168-K170 HydrophobicContact CB-CD 4.17Å; D168-K170 HydrophobicContact CB-CG 4.13Å; D168-K170 PolarHBondContact O-N 3.42Å; D168-K170 VanDerWaalsContact O-N 3.12Å; D168-N173 PolarHBondContact O-ND2 3.31Å
169H98.8Very high98.6Very high4 Ų463.2 Ų63.22%0.01933%0.325CS..  trans-87.478.5178.4-67.7104.9000111.4N148 G150 S199 R200 E225N148-H169 PolarHBondContact ND2-ND1 2.68Å; N148-H169 VanDerWaalsContact ND2-ND1 3.19Å; N148-H169 PolarHBondContact O-CE1 3.41Å; G150-H169 PolarHBondContact N-ND1 3.27Å; G150-H169 WeakPolarHBondContact O-CB 3.43Å; G150-H169 PolarHBondContact O-N 2.87Å; G150-H169 PolarHBondContact O-ND1 3.22Å; H169-S199 VanDerWaalsContact C-OG 3.24Å; H169-S199 PolarHBondContact O-N 2.93Å; H169-S199 PolarHBondContact O-OG 2.81Å; H169-R200 HydrophobicContact CB-CB 3.9Å; H169-R200 HydrophobicContact CB-CG 3.88Å; H169-R200 VanDerWaalsContact CD2-CD 3.42Å; H169-R200 WeakPolarHBondContact CD2-CD 3.41Å; H169-R200 VanDerWaalsContact CD2-CZ 3.45Å; H169-R200 PolarHBondContact CD2-NE 3.5Å; H169-R200 PolarHBondContact NE2-NE 3.31Å; H169-R200 PolarHBondContact NE2-NH1 2.6Å; H169-E225 IonicContact CE1-OE2 3.86Å; H169-E225 WeakPolarHBondContact NE2-CG 3.15Å; H169-E225 IonicContact NE2-OE2 2.77Å; H169-E225 PolarHBondContact NE2-OE2 2.87Å
170K98.6Very high98.6Very high43 Ų4357.2 Ų57.219%0.18729%0.293CS..  trans-92.3141.1176.8-50.8-59.3-83.4-1630111.1D151 D168 C172 N173D151-K170 HydrophobicContact CB-CD 3.71Å; D151-K170 IonicContact OD2-NZ 3.06Å; D151-K170 PolarHBondContact OD2-NZ 2.82Å; D168-K170 HydrophobicContact CB-CD 4.17Å; D168-K170 HydrophobicContact CB-CG 4.13Å; D168-K170 PolarHBondContact O-N 3.42Å; D168-K170 VanDerWaalsContact O-N 3.12Å; K170-C172 PolarHBondContact O-N 3Å; K170-N173 PolarHBondContact N-ND2 3.49Å; K170-N173 VanDerWaalsContact O-CB 3.29Å; K170-N173 WeakPolarHBondContact O-CB 3.27Å; K170-N173 PolarHBondContact O-N 3.08Å
171P98.7Very high98.6Very high0 Ų060.9 Ų60.90%030%0.303CS..THydrogen-bonded Turntrans-55.5-25.6177.6-30.137.5000115.2N173 K177 I180 V187 Q190 V192 A197P171-N173 VanDerWaalsContact C-N 3.3Å; P171-K177 WeakPolarHBondContact O-CB 3.33Å; P171-K177 PolarHBondContact O-N 3.23Å; P171-I180 HydrophobicContact CB-CD1 3.93Å; P171-V187 HydrophobicContact CB-CG1 3.89Å; P171-V187 HydrophobicContact CB-CG2 4.12Å; P171-V187 WeakPolarHBondContact O-CG2 3.25Å; P171-Q190 WeakPolarHBondContact CB-O 3.11Å; P171-Q190 WeakPolarHBondContact CD-O 3.14Å; P171-Q190 VanDerWaalsContact CG-O 3.22Å; P171-Q190 WeakPolarHBondContact CG-O 3.44Å; P171-V192 HydrophobicContact CB-CG2 4.04Å; P171-V192 HydrophobicContact CG-CG2 3.68Å; P171-A197 WeakPolarHBondContact CD-O 3.48Å
172C97.8Very high98.7Very high60 Ų6058.8 Ų58.841%0.40530%0.296SS..THydrogen-bonded Turntrans-76.1-14.1177.756.90000114.2K170K170-C172 PolarHBondContact O-N 3Å
173N98.6Very high98.7Very high54 Ų5457.2 Ų57.229%0.28929%0.288SS..SBendtrans-62138.2178.7-68.8-5.7000110.1D168 K170 P171 R175 E176 K177D168-N173 PolarHBondContact O-ND2 3.31Å; K170-N173 PolarHBondContact N-ND2 3.49Å; K170-N173 VanDerWaalsContact O-CB 3.29Å; K170-N173 WeakPolarHBondContact O-CB 3.27Å; K170-N173 PolarHBondContact O-N 3.08Å; P171-N173 VanDerWaalsContact C-N 3.3Å; N173-R175 PolarHBondContact O-N 3.25Å; N173-E176 HydrophobicContact CB-CB 4.11Å; N173-E176 HydrophobicContact CB-CG 3.79Å; N173-E176 PolarHBondContact O-N 3.32Å; N173-E176 VanDerWaalsContact O-N 3.09Å; N173-K177 WeakPolarHBondContact O-CB 3.18Å; N173-K177 PolarHBondContact O-N 2.95Å
174P98.3Very high98.7Very high111 Ų11157.7 Ų57.772%0.72130%0.304SS*.Hα-helixtrans-53.4-47.7-169.1-30.335.7000115E178P174-E178 WeakPolarHBondContact O-CB 3.44Å; P174-E178 PolarHBondContact O-N 2.99Å
175R98.3Very high98.6Very high198 Ų19856.7 Ų56.775%0.74730%0.304SS*.Hα-helixtrans-71.1-34.7-179.7-66.7-175.7178.1176.6-0.3112.9N173 R179N173-R175 PolarHBondContact O-N 3.25Å; R175-R179 PolarHBondContact O-N 2.92Å
176E98.9Very high98.6Very high10 Ų1057.2 Ų57.25%0.04731%0.307CS..Hα-helixtrans-68.3-47.1177.4-57.5-58.811000110.4N173 E178 R179 I180 S199 R200N173-E176 HydrophobicContact CB-CB 4.11Å; N173-E176 HydrophobicContact CB-CG 3.79Å; N173-E176 PolarHBondContact O-N 3.32Å; N173-E176 VanDerWaalsContact O-N 3.09Å; E176-E178 VanDerWaalsContact C-N 3.34Å; E176-E178 PolarHBondContact O-N 2.88Å; E176-R179 VanDerWaalsContact CD-NH1 3.34Å; E176-R179 PolarHBondContact O-N 3.18Å; E176-R179 IonicContact OE1-NH1 3.82Å; E176-R179 IonicContact OE2-CZ 3.47Å; E176-R179 IonicContact OE2-NH1 2.97Å; E176-R179 PolarHBondContact OE2-NH1 3.04Å; E176-R179 IonicContact OE2-NH2 3.61Å; E176-I180 WeakPolarHBondContact O-CD1 3.42Å; E176-I180 VanDerWaalsContact O-CG1 3.24Å; E176-I180 WeakPolarHBondContact O-CG1 3.42Å; E176-I180 PolarHBondContact O-N 3.15Å; E176-S199 VanDerWaalsContact CG-OG 3.26Å; E176-S199 WeakPolarHBondContact CG-OG 3.44Å; E176-S199 VanDerWaalsContact OE2-CB 3.31Å; E176-S199 WeakPolarHBondContact OE2-CB 3.27Å; E176-S199 PolarHBondContact OE2-OG 2.9Å; E176-R200 IonicContact OE1-CZ 3.5Å; E176-R200 IonicContact OE1-NE 2.87Å; E176-R200 PolarHBondContact OE1-NE 3.4Å; E176-R200 VanDerWaalsContact OE1-NE 3.17Å; E176-R200 IonicContact OE1-NH2 3.47Å; E176-R200 PolarHBondContact OE1-NH2 3.35Å; E176-R200 VanDerWaalsContact OE2-CG 3.22Å; E176-R200 WeakPolarHBondContact OE2-CG 3.21Å; E176-R200 IonicContact OE2-NE 3.62Å; E176-R200 PolarHBondContact OE2-NE 2.96Å
177K98.8Very high98.6Very high86 Ų8658.5 Ų58.537%0.37432%0.315SS..Hα-helixtrans-58.8-45.3174.8-177.5175.2179.5-177.80111.7P171 N173 I180 Q181 V187P171-K177 WeakPolarHBondContact O-CB 3.33Å; P171-K177 PolarHBondContact O-N 3.23Å; N173-K177 WeakPolarHBondContact O-CB 3.18Å; N173-K177 PolarHBondContact O-N 2.95Å; K177-I180 PolarHBondContact O-N 3.28Å; K177-Q181 HydrophobicContact CG-CG 4.43Å; K177-Q181 WeakPolarHBondContact O-CB 3.25Å; K177-Q181 VanDerWaalsContact O-CG 3.28Å; K177-Q181 WeakPolarHBondContact O-CG 3.23Å; K177-Q181 PolarHBondContact O-N 2.85Å; K177-V187 HydrophobicContact CB-CG2 4.24Å; K177-V187 HydrophobicContact CG-CB 4.4Å; K177-V187 HydrophobicContact CG-CG2 3.89Å
178E98.8Very high98.5Very high111 Ų11157.6 Ų57.652%0.51931%0.312SS..Hα-helixtrans-59.2-47.8177-179.7177-169.100111.3P174 E176 I180 Q181 N182P174-E178 WeakPolarHBondContact O-CB 3.44Å; P174-E178 PolarHBondContact O-N 2.99Å; E176-E178 VanDerWaalsContact C-N 3.34Å; E176-E178 PolarHBondContact O-N 2.88Å; E178-I180 PolarHBondContact O-N 3.36Å; E178-Q181 PolarHBondContact O-N 2.93Å; E178-N182 VanDerWaalsContact O-CB 3.32Å; E178-N182 WeakPolarHBondContact O-CB 2.87Å; E178-N182 VanDerWaalsContact O-CG 3.22Å; E178-N182 PolarHBondContact O-N 3.41Å; E178-N182 PolarHBondContact O-ND2 3.32Å
179R98.9Very high98.1Very high29 Ų2963.8 Ų63.811%0.10934%0.343CS..Hα-helixtrans-58.1-48.7175-173.7-160.764.8-121.4-3.5111.6R175 E176 Q181 N182 A183 S199 T216 Q218 L219R175-R179 PolarHBondContact O-N 2.92Å; E176-R179 VanDerWaalsContact CD-NH1 3.34Å; E176-R179 PolarHBondContact O-N 3.18Å; E176-R179 IonicContact OE1-NH1 3.82Å; E176-R179 IonicContact OE2-CZ 3.47Å; E176-R179 IonicContact OE2-NH1 2.97Å; E176-R179 PolarHBondContact OE2-NH1 3.04Å; E176-R179 IonicContact OE2-NH2 3.61Å; R179-Q181 VanDerWaalsContact C-N 3.32Å; R179-Q181 PolarHBondContact O-N 2.85Å; R179-N182 PolarHBondContact O-N 3.25Å; R179-A183 WeakPolarHBondContact O-CB 3.42Å; R179-A183 PolarHBondContact O-N 2.78Å; R179-S199 PolarHBondContact NH2-O 2.82Å; R179-T216 WeakPolarHBondContact CD-O 3.3Å; R179-Q218 VanDerWaalsContact CD-O 3.28Å; R179-Q218 WeakPolarHBondContact CD-O 3.44Å; R179-Q218 PolarHBondContact NE-O 3.42Å; R179-L219 PolarHBondContact NH2-O 3.27Å
180I98.9Very high97.9Very high0 Ų069.2 Ų69.20%037%0.369CS..Hα-helixtrans-57.3-45.6179.3-69.9158.3000111P171 E176 K177 E178 A183 G184 G185 V187 V192 L219P171-I180 HydrophobicContact CB-CD1 3.93Å; E176-I180 WeakPolarHBondContact O-CD1 3.42Å; E176-I180 VanDerWaalsContact O-CG1 3.24Å; E176-I180 WeakPolarHBondContact O-CG1 3.42Å; E176-I180 PolarHBondContact O-N 3.15Å; K177-I180 PolarHBondContact O-N 3.28Å; E178-I180 PolarHBondContact O-N 3.36Å; I180-A183 PolarHBondContact O-N 2.78Å; I180-G184 PolarHBondContact O-N 2.94Å; I180-G185 WeakPolarHBondContact O-CA 3.48Å; I180-G185 PolarHBondContact O-N 3.38Å; I180-V187 HydrophobicContact CB-CG2 4.34Å; I180-V187 HydrophobicContact CD1-CG2 3.82Å; I180-V187 HydrophobicContact CG2-CG2 4.05Å; I180-V192 HydrophobicContact CD1-CG2 3.79Å; I180-V192 HydrophobicContact CG1-CG2 4.41Å; I180-V192 HydrophobicContact CG2-CG1 4.18Å; I180-L219 VanDerWaalsContact CG1-O 3.31Å; I180-L219 WeakPolarHBondContact CG1-O 3.41Å; I180-L219 HydrophobicContact CG2-CD2 4.2Å
181Q98.6Very high97.9Very high103 Ų10372.6 Ų72.648%0.48138%0.38SS..Hα-helixtrans-66.8-42.4178.5-71.4177.5-4300111.9K177 E178 R179 A183 G184K177-Q181 HydrophobicContact CG-CG 4.43Å; K177-Q181 WeakPolarHBondContact O-CB 3.25Å; K177-Q181 VanDerWaalsContact O-CG 3.28Å; K177-Q181 WeakPolarHBondContact O-CG 3.23Å; K177-Q181 PolarHBondContact O-N 2.85Å; E178-Q181 PolarHBondContact O-N 2.93Å; R179-Q181 VanDerWaalsContact C-N 3.32Å; R179-Q181 PolarHBondContact O-N 2.85Å; Q181-A183 PolarHBondContact O-N 3.05Å; Q181-G184 PolarHBondContact O-N 3.23Å
182N98.8Very high97.9Very high96 Ų9672.6 Ų72.651%0.51338%0.38SS..Hα-helixtrans-66.2-23176.7-73.4-19.4000113E178 R179 G184 K213E178-N182 VanDerWaalsContact O-CB 3.32Å; E178-N182 WeakPolarHBondContact O-CB 2.87Å; E178-N182 VanDerWaalsContact O-CG 3.22Å; E178-N182 PolarHBondContact O-N 3.41Å; E178-N182 PolarHBondContact O-ND2 3.32Å; R179-N182 PolarHBondContact O-N 3.25Å; N182-G184 VanDerWaalsContact C-N 3.29Å; N182-K213 WeakPolarHBondContact O-CE 3.44Å; N182-K213 PolarHBondContact O-NZ 3.47Å
183A98.8Very high97.9Very high8 Ų872.9 Ų72.97%0.06638%0.378CS..THydrogen-bonded Turntrans-86.67.1171.600000113.2R179 I180 Q181 V210 E217 L219R179-A183 WeakPolarHBondContact O-CB 3.42Å; R179-A183 PolarHBondContact O-N 2.78Å; I180-A183 PolarHBondContact O-N 2.78Å; Q181-A183 PolarHBondContact O-N 3.05Å; A183-V210 HydrophobicContact CB-CG2 4.3Å; A183-V210 WeakPolarHBondContact O-CG1 3.33Å; A183-E217 WeakPolarHBondContact CB-O 3.47Å; A183-L219 HydrophobicContact CB-CD2 3.87Å; A183-L219 HydrophobicContact CB-CG 4.31Å
184G98.6Very high97.7Very high74 Ų7472 Ų7276%0.76338%0.382SS*.THydrogen-bonded Turntrans845.8176.700000115I180 Q181 N182I180-G184 PolarHBondContact O-N 2.94Å; Q181-G184 PolarHBondContact O-N 3.23Å; N182-G184 VanDerWaalsContact C-N 3.29Å
185G98.5Very high97.6Very high15 Ų1570 Ų7016%0.15537%0.37CS..  trans-92.5-171.9175.900000113.8I180 N193I180-G185 WeakPolarHBondContact O-CA 3.48Å; I180-G185 PolarHBondContact O-N 3.38Å; G185-N193 WeakPolarHBondContact CA-OD1 3.29Å
186S98.1Very high97.4Very high39 Ų3961.5 Ų61.527%0.27334%0.34SS..  trans-141.9161.3177.463.50000111.2M188 N193S186-M188 WeakPolarHBondContact OG-CE 3.22Å; S186-N193 PolarHBondContact N-OD1 2.73Å; S186-N193 PolarHBondContact O-N 3.35Å; S186-N193 PolarHBondContact O-OD1 3.02Å; S186-N193 PolarHBondContact OG-OD1 2.71Å
187V98.4Very high97.4Very high34 Ų3462.4 Ų62.421%0.20635%0.349CS..EExtended strand (participates in β ladder)trans-112.8112.7173.6179.50000108.2P171 K177 I180 R191P171-V187 HydrophobicContact CB-CG1 3.89Å; P171-V187 HydrophobicContact CB-CG2 4.12Å; P171-V187 WeakPolarHBondContact O-CG2 3.25Å; K177-V187 HydrophobicContact CB-CG2 4.24Å; K177-V187 HydrophobicContact CG-CB 4.4Å; K177-V187 HydrophobicContact CG-CG2 3.89Å; I180-V187 HydrophobicContact CB-CG2 4.34Å; I180-V187 HydrophobicContact CD1-CG2 3.82Å; I180-V187 HydrophobicContact CG2-CG2 4.05Å; V187-R191 WeakPolarHBondContact CA-O 3.21Å
188M96.4Very high97.3Very high102 Ų10258.7 Ų58.750%0.50233%0.333SS..EExtended strand (participates in β ladder)trans-116.4116.8-179.9-58-178-175.800108.5S186 Q190 R191S186-M188 WeakPolarHBondContact OG-CE 3.22Å; M188-Q190 VanDerWaalsContact C-N 3.33Å; M188-Q190 PolarHBondContact O-N 3.22Å; M188-R191 PolarHBondContact N-O 2.65Å; M188-R191 WeakPolarHBondContact O-CB 3.43Å; M188-R191 PolarHBondContact O-N 2.97Å
189I91.6Very high97.3Very high163 Ų16353.4 Ų53.484%0.83631%0.308SS*.THydrogen-bonded Turntrans49.852.6176.8-40.7176.5000111.5R191I189-R191 PolarHBondContact O-N 2.87Å
190Q94.1Very high97.4Very high117 Ų11753 Ų5355%0.54731%0.307SS..THydrogen-bonded Turntrans66.19.5-177.8-47179.612.400116P171 M188P171-Q190 WeakPolarHBondContact CB-O 3.11Å; P171-Q190 WeakPolarHBondContact CD-O 3.14Å; P171-Q190 VanDerWaalsContact CG-O 3.22Å; P171-Q190 WeakPolarHBondContact CG-O 3.44Å; M188-Q190 VanDerWaalsContact C-N 3.33Å; M188-Q190 PolarHBondContact O-N 3.22Å
191R98.2Very high97.4Very high115 Ų11553 Ų5343%0.43431%0.307SS..EExtended strand (participates in β ladder)trans-116.8141.5-179.1-64.2173.6177.5-84.9-8.6112.9V187 M188 I189 N193 G194 S195 L196 A197V187-R191 WeakPolarHBondContact CA-O 3.21Å; M188-R191 PolarHBondContact N-O 2.65Å; M188-R191 WeakPolarHBondContact O-CB 3.43Å; M188-R191 PolarHBondContact O-N 2.97Å; I189-R191 PolarHBondContact O-N 2.87Å; R191-N193 PolarHBondContact O-N 3.13Å; R191-G194 PolarHBondContact O-N 3.17Å; R191-S195 WeakPolarHBondContact CD-O 3.39Å; R191-S195 PolarHBondContact NH1-O 2.84Å; R191-L196 CarbonylContact C-O 3.51Å; R191-L196 WeakPolarHBondContact CA-O 3.43Å; R191-L196 WeakPolarHBondContact CB-O 3.45Å; R191-A197 HydrophobicContact CG-CB 4.35Å
192V97.8Very high97.4Very high0 Ų048.1 Ų48.10%028%0.284CS..EExtended strand (participates in β ladder)trans-64.4117.2170.5-172.30000108.5P171 I180 G194 S195 L196 Y207 L219P171-V192 HydrophobicContact CB-CG2 4.04Å; P171-V192 HydrophobicContact CG-CG2 3.68Å; I180-V192 HydrophobicContact CD1-CG2 3.79Å; I180-V192 HydrophobicContact CG1-CG2 4.41Å; I180-V192 HydrophobicContact CG2-CG1 4.18Å; V192-G194 PolarHBondContact O-N 3.2Å; V192-S195 PolarHBondContact O-N 2.87Å; V192-L196 HydrophobicContact CB-CB 4.31Å; V192-L196 PolarHBondContact N-O 3.01Å; V192-L196 PolarHBondContact O-N 2.79Å; V192-Y207 HydrophobicContact CB-CE1 4.49Å; V192-Y207 HydrophobicContact CG1-CD1 4.06Å; V192-Y207 HydrophobicContact CG1-CE1 4.21Å; V192-L219 HydrophobicContact CG1-CB 4.07Å
193N97.8Very high97.3Very high65 Ų6543.5 Ų43.535%0.34826%0.259SS..THydrogen-bonded Turntrans51.128-175.2-62.5-25.2000113.9G185 S186 R191 S195G185-N193 WeakPolarHBondContact CA-OD1 3.29Å; S186-N193 PolarHBondContact N-OD1 2.73Å; S186-N193 PolarHBondContact O-N 3.35Å; S186-N193 PolarHBondContact O-OD1 3.02Å; S186-N193 PolarHBondContact OG-OD1 2.71Å; R191-N193 PolarHBondContact O-N 3.13Å; N193-S195 PolarHBondContact O-N 2.95Å
194G96.2Very high97.3Very high36 Ų3643.5 Ų43.537%0.37126%0.258SS..THydrogen-bonded Turntrans773.5-177.500000115R191 V192R191-G194 PolarHBondContact O-N 3.17Å; V192-G194 PolarHBondContact O-N 3.2Å
195S95.9Very high97.3Very high69 Ų6940.9 Ų40.948%0.48323%0.226SC..THydrogen-bonded Turntrans-109.4-68.7-175.2-58.90000112.8R191 V192 N193 Y207R191-S195 WeakPolarHBondContact CD-O 3.39Å; R191-S195 PolarHBondContact NH1-O 2.84Å; V192-S195 PolarHBondContact O-N 2.87Å; N193-S195 PolarHBondContact O-N 2.95Å; S195-Y207 WeakPolarHBondContact CB-OH 3.47Å
196L94.4Very high97.1Very high20 Ų2044.7 Ų44.711%0.10524%0.242CC..BIsolated β-bridgetrans-88.1128.9-169.4-16368.8000112.1R191 V192 V198 Y207 V220R191-L196 CarbonylContact C-O 3.51Å; R191-L196 WeakPolarHBondContact CA-O 3.43Å; R191-L196 WeakPolarHBondContact CB-O 3.45Å; V192-L196 HydrophobicContact CB-CB 4.31Å; V192-L196 PolarHBondContact N-O 3.01Å; V192-L196 PolarHBondContact O-N 2.79Å; L196-V198 HydrophobicContact CD1-CG2 4.28Å; L196-V198 HydrophobicContact CD2-CG2 3.82Å; L196-V198 HydrophobicContact CG-CG2 3.79Å; L196-Y207 HydrophobicContact CB-CE1 4.37Å; L196-Y207 HydrophobicContact CD2-CD2 4.44Å; L196-Y207 HydrophobicContact CD2-CE2 4.43Å; L196-V220 HydrophobicContact CD2-CG1 4.48Å; L196-V220 HydrophobicContact CD2-CG2 3.45Å; L196-V220 VanDerWaalsContact CD2-CG2 3.45Å
197A97.3Very high97.1Very high29 Ų2945 Ų4524%0.2424%0.238CC..SBendtrans-84-9.6-175.800000114.4P171 R191P171-A197 WeakPolarHBondContact CD-O 3.48Å; R191-A197 HydrophobicContact CG-CB 4.35Å
198V98.3Very high97.1Very high7 Ų743.7 Ų43.74%0.04223%0.229CC..  trans-106.8147.9175.2-65.10000111T133 D151 L196 A201T133-V198 HydrophobicContact CG2-CG1 4.43Å; D151-V198 HydrophobicContact CB-CG1 4.3Å; D151-V198 WeakPolarHBondContact OD1-CG1 3.23Å; D151-V198 WeakPolarHBondContact OD2-CG1 3.29Å; L196-V198 HydrophobicContact CD1-CG2 4.28Å; L196-V198 HydrophobicContact CD2-CG2 3.82Å; L196-V198 HydrophobicContact CG-CG2 3.79Å; V198-A201 HydrophobicContact CG2-CB 4.28Å
199S98.8Very high97.1Very high0 Ų043.1 Ų43.10%024%0.235CC..SBendtrans-98.1-15.1173.1650000113H169 E176 R179 V220 S221H169-S199 VanDerWaalsContact C-OG 3.24Å; H169-S199 PolarHBondContact O-N 2.93Å; H169-S199 PolarHBondContact O-OG 2.81Å; E176-S199 VanDerWaalsContact CG-OG 3.26Å; E176-S199 WeakPolarHBondContact CG-OG 3.44Å; E176-S199 VanDerWaalsContact OE2-CB 3.31Å; E176-S199 WeakPolarHBondContact OE2-CB 3.27Å; E176-S199 PolarHBondContact OE2-OG 2.9Å; R179-S199 PolarHBondContact NH2-O 2.82Å; S199-V220 WeakPolarHBondContact O-CA 3.48Å; S199-S221 PolarHBondContact O-N 3.28Å
200R98.9Very high97.5Very high21 Ų2137.1 Ų37.18%0.07921%0.205CC..BIsolated β-bridgetrans-134.2138176.9-57.7-159.6-166.717016.9110.5G150 H169 E176 S221 E223 E225G150-R200 VanDerWaalsContact CA-O 3.3Å; G150-R200 WeakPolarHBondContact CA-O 3.09Å; H169-R200 HydrophobicContact CB-CB 3.9Å; H169-R200 HydrophobicContact CB-CG 3.88Å; H169-R200 VanDerWaalsContact CD2-CD 3.42Å; H169-R200 WeakPolarHBondContact CD2-CD 3.41Å; H169-R200 VanDerWaalsContact CD2-CZ 3.45Å; H169-R200 PolarHBondContact CD2-NE 3.5Å; H169-R200 PolarHBondContact NE2-NE 3.31Å; H169-R200 PolarHBondContact NE2-NH1 2.6Å; E176-R200 IonicContact OE1-CZ 3.5Å; E176-R200 IonicContact OE1-NE 2.87Å; E176-R200 PolarHBondContact OE1-NE 3.4Å; E176-R200 VanDerWaalsContact OE1-NE 3.17Å; E176-R200 IonicContact OE1-NH2 3.47Å; E176-R200 PolarHBondContact OE1-NH2 3.35Å; E176-R200 VanDerWaalsContact OE2-CG 3.22Å; E176-R200 WeakPolarHBondContact OE2-CG 3.21Å; E176-R200 IonicContact OE2-NE 3.62Å; E176-R200 PolarHBondContact OE2-NE 2.96Å; R200-S221 CarbonylContact C-O 3.57Å; R200-S221 WeakPolarHBondContact CA-O 3.31Å; R200-S221 VanDerWaalsContact CB-O 3.22Å; R200-S221 WeakPolarHBondContact CB-O 3.14Å; R200-E223 VanDerWaalsContact CD-O 3.25Å; R200-E223 WeakPolarHBondContact CD-O 3.3Å; R200-E223 PolarHBondContact NH1-O 3.15Å; R200-E225 IonicContact NH2-OE1 2.66Å
201A98.9Very high97.6Very high0 Ų039.2 Ų39.20%022%0.22CC..  trans-169154.9178.900000109.8S132 V198 D204 K208 V220 S221S132-A201 WeakPolarHBondContact O-CA 3.4Å; S132-A201 WeakPolarHBondContact O-CB 3.43Å; V198-A201 HydrophobicContact CG2-CB 4.28Å; A201-D204 WeakPolarHBondContact CB-OD2 3.33Å; A201-K208 PolarHBondContact O-NZ 3.4Å; A201-V220 HydrophobicContact CB-CG1 3.97Å; A201-S221 PolarHBondContact N-O 3.26Å; A201-S221 VanDerWaalsContact N-O 3.08Å
202L98.9Very high97.6Very high0 Ų037.9 Ų37.90%024%0.243CC..EExtended strand (participates in β ladder)trans-78.5152.6159.3-66.4169.1000108.8V67 C71 F110 I113 D114 M117 G131 S132 P222V67-L202 HydrophobicContact CG1-CB 3.98Å; C71-L202 WeakPolarHBondContact SG-CD1 3.48Å; F110-L202 HydrophobicContact CD1-CD1 4.05Å; F110-L202 HydrophobicContact CD1-CD2 4.04Å; F110-L202 HydrophobicContact CD1-CG 4.16Å; F110-L202 HydrophobicContact CE1-CD1 4.12Å; F110-L202 HydrophobicContact CE1-CG 4.5Å; F110-L202 WeakPolarHBondContact O-CD2 3.44Å; I113-L202 HydrophobicContact CG2-CD1 4.1Å; I113-L202 HydrophobicContact CG2-CD2 3.92Å; D114-L202 HydrophobicContact CB-CD2 3.71Å; D114-L202 WeakPolarHBondContact OD1-CA 3.48Å; M117-L202 HydrophobicContact CE-CB 4.08Å; G131-L202 CarbonylContact C-O 3.57Å; G131-L202 WeakPolarHBondContact CA-O 3.26Å; S132-L202 PolarHBondContact N-O 3.45Å; S132-L202 PolarHBondContact O-N 2.82Å; L202-P222 HydrophobicContact CD2-CB 4.05Å
203G98.4Very high97.6Very high0 Ų041.2 Ų41.20%026%0.257CS..EExtended strand (participates in β ladder)trans80.3-139.6-174.700000112.9D114 Y205 K208D114-G203 PolarHBondContact OD1-N 3.25Å; G203-Y205 VanDerWaalsContact C-N 3.29Å; G203-Y205 PolarHBondContact O-N 2.92Å; G203-K208 WeakPolarHBondContact O-CD 3.46Å; G203-K208 WeakPolarHBondContact O-CE 3.35Å; G203-K208 PolarHBondContact O-NZ 3.05Å
204D97.9Very high97.7Very high7 Ų739.3 Ų39.34%0.03725%0.252CS..  trans52.341.3177.3-68.4-48.2000114.3H62 S130 A201 D206 Y207 V220H62-D204 IonicContact CD2-OD1 3.21Å; H62-D204 IonicContact CE1-OD1 2.66Å; H62-D204 IonicContact CE1-OD2 2.83Å; H62-D204 PolarHBondContact CE1-OD2 2.96Å; H62-D204 VanDerWaalsContact CE1-OD2 3.26Å; H62-D204 IonicContact NE2-OD1 3.17Å; H62-D204 PolarHBondContact NE2-OD1 3.37Å; H62-D204 IonicContact NE2-OD2 3Å; H62-D204 PolarHBondContact NE2-OD2 3.43Å; S130-D204 PolarHBondContact O-N 3.48Å; A201-D204 WeakPolarHBondContact CB-OD2 3.33Å; D204-D206 PolarHBondContact O-N 3.39Å; D204-D206 VanDerWaalsContact O-N 3.1Å; D204-Y207 HydrophobicContact CB-CD2 4.09Å; D204-Y207 WeakPolarHBondContact O-CB 3.3Å; D204-Y207 PolarHBondContact O-N 2.96Å; D204-V220 HydrophobicContact CB-CG1 4.31Å
205Y97.6Very high97.8Very high20 Ų2041.2 Ų41.28%0.07826%0.258CS..G310 helixtrans-64.5-24-167.3-56.4-59.3000114.4D114 M117 R118 L123 G203 Y207 K208 C209D114-Y205 PolarHBondContact O-OH 3.19Å; M117-Y205 WeakPolarHBondContact CB-OH 3.26Å; R118-Y205 HydrophobicContact CB-CD1 3.99Å; R118-Y205 HydrophobicContact CB-CE1 3.65Å; R118-Y205 HydrophobicContact CB-CE2 4.31Å; R118-Y205 HydrophobicContact CB-CG 4.45Å; R118-Y205 HydrophobicContact CG-CD1 4.07Å; R118-Y205 HydrophobicContact CG-CE1 4.26Å; R118-Y205 HydrophobicContact CG-CG 4.3Å; R118-Y205 PolarHBondContact N-OH 3Å; L123-Y205 HydrophobicContact CB-CD2 4.02Å; L123-Y205 HydrophobicContact CB-CE2 3.82Å; L123-Y205 HydrophobicContact CD1-CE2 3.85Å; L123-Y205 HydrophobicContact CD2-CD2 4.43Å; L123-Y205 HydrophobicContact CD2-CE2 4.13Å; L123-Y205 HydrophobicContact CG-CE2 4.13Å; G203-Y205 VanDerWaalsContact C-N 3.29Å; G203-Y205 PolarHBondContact O-N 2.92Å; Y205-Y207 PolarHBondContact O-N 2.98Å; Y205-Y207 VanDerWaalsContact O-N 3.15Å; Y205-K208 HydrophobicContact CD1-CD 4.31Å; Y205-K208 PolarHBondContact O-N 2.84Å; Y205-C209 PolarHBondContact O-SG 3.4Å
206D95.9Very high97.9Very high95 Ų9539.2 Ų39.251%0.50824%0.243SC..G310 helixtrans-55.7-28.3171-76.3-5.2000112.1R129 D204R129-D206 WeakPolarHBondContact CD-OD2 3.12Å; R129-D206 IonicContact CZ-OD2 2.72Å; R129-D206 IonicContact NE-OD2 3.4Å; R129-D206 IonicContact NH1-OD2 2.83Å; R129-D206 PolarHBondContact NH1-OD2 3.06Å; D204-D206 PolarHBondContact O-N 3.39Å; D204-D206 VanDerWaalsContact O-N 3.1Å
207Y98.1Very high98.1Very high44 Ų4443 Ų4317%0.17326%0.26CS..G310 helixtrans-932.6178.7-64.1-90.2000113.7V192 S195 L196 D204 Y205 L219 V220V192-Y207 HydrophobicContact CB-CE1 4.49Å; V192-Y207 HydrophobicContact CG1-CD1 4.06Å; V192-Y207 HydrophobicContact CG1-CE1 4.21Å; S195-Y207 WeakPolarHBondContact CB-OH 3.47Å; L196-Y207 HydrophobicContact CB-CE1 4.37Å; L196-Y207 HydrophobicContact CD2-CD2 4.44Å; L196-Y207 HydrophobicContact CD2-CE2 4.43Å; D204-Y207 HydrophobicContact CB-CD2 4.09Å; D204-Y207 WeakPolarHBondContact O-CB 3.3Å; D204-Y207 PolarHBondContact O-N 2.96Å; Y205-Y207 PolarHBondContact O-N 2.98Å; Y205-Y207 VanDerWaalsContact O-N 3.15Å; Y207-L219 HydrophobicContact CD1-CB 4.32Å; Y207-L219 HydrophobicContact CD1-CD1 4.17Å; Y207-L219 WeakPolarHBondContact O-CB 3.39Å; Y207-L219 PolarHBondContact O-N 3.44Å; Y207-V220 HydrophobicContact CD1-CG2 4.2Å; Y207-V220 HydrophobicContact CD2-CG2 4.47Å; Y207-V220 HydrophobicContact CG-CG2 3.83Å
208K98Very high98.2Very high7 Ų742 Ų423%0.0325%0.251CS..SBendtrans-123.230.4-173.8-61.3177.9179.2170.10112.9D114 R118 A201 G203 Y205 Q218 V220D114-K208 IonicContact OD1-NZ 2.81Å; D114-K208 PolarHBondContact OD1-NZ 2.87Å; D114-K208 IonicContact OD2-NZ 3.51Å; D114-K208 PolarHBondContact OD2-NZ 2.74Å; R118-K208 PolarHBondContact NH2-O 3.41Å; A201-K208 PolarHBondContact O-NZ 3.4Å; G203-K208 WeakPolarHBondContact O-CD 3.46Å; G203-K208 WeakPolarHBondContact O-CE 3.35Å; G203-K208 PolarHBondContact O-NZ 3.05Å; Y205-K208 HydrophobicContact CD1-CD 4.31Å; Y205-K208 PolarHBondContact O-N 2.84Å; K208-Q218 VanDerWaalsContact CA-OE1 3.29Å; K208-Q218 HydrophobicContact CB-CB 4.25Å; K208-Q218 HydrophobicContact CB-CG 4.04Å; K208-Q218 HydrophobicContact CG-CB 4.1Å; K208-Q218 HydrophobicContact CG-CG 4.33Å; K208-Q218 PolarHBondContact O-OE1 3.06Å; K208-V220 VanDerWaalsContact CE-O 3.28Å; K208-V220 WeakPolarHBondContact CE-O 3.45Å; K208-V220 WeakPolarHBondContact CG-O 3.32Å
209C97Very high98.2Very high91 Ų9142.5 Ų42.562%0.61525%0.253SS*.  trans-115.421.7-176.2-68.30000113.5Y205 D211Y205-C209 PolarHBondContact O-SG 3.4Å; C209-D211 PolarHBondContact O-N 3.01Å
210V98.3Very high98.2Very high37 Ų3742.5 Ų42.522%0.22425%0.253CS..  trans-78.8115.9179.5-175.90000109.9A183 K213 Q218 L219A183-V210 HydrophobicContact CB-CG2 4.3Å; A183-V210 WeakPolarHBondContact O-CG1 3.33Å; V210-K213 HydrophobicContact CB-CB 4.34Å; V210-K213 HydrophobicContact CB-CG 4.16Å; V210-K213 HydrophobicContact CG1-CB 4.33Å; V210-K213 HydrophobicContact CG1-CG 3.64Å; V210-K213 PolarHBondContact O-N 3.12Å; V210-Q218 PolarHBondContact O-NE2 2.97Å; V210-L219 HydrophobicContact CG2-CD1 4.44Å; V210-L219 HydrophobicContact CG2-CG 4.1Å
211D97.8Very high98.2Very high160 Ų16041.6 Ų41.686%0.85625%0.25SC*.THydrogen-bonded Turntrans-60.1139.3178.1-71.9-33.9000111.9C209 K213C209-D211 PolarHBondContact O-N 3.01Å; D211-K213 VanDerWaalsContact C-N 3.25Å; D211-K213 PolarHBondContact O-N 3.29Å
212G97.8Very high98.2Very high88 Ų8841.6 Ų41.691%0.90725%0.25SS*.THydrogen-bonded Turntrans74.29.5177.800000115.1
213K98.4Very high98.2Very high70 Ų7044 Ų4430%0.30426%0.261SS..  trans-111.8135.9174.6-64.8-61.7-175.4172.40111.3N182 V210 D211 E217 Q218N182-K213 WeakPolarHBondContact O-CE 3.44Å; N182-K213 PolarHBondContact O-NZ 3.47Å; V210-K213 HydrophobicContact CB-CB 4.34Å; V210-K213 HydrophobicContact CB-CG 4.16Å; V210-K213 HydrophobicContact CG1-CB 4.33Å; V210-K213 HydrophobicContact CG1-CG 3.64Å; V210-K213 PolarHBondContact O-N 3.12Å; D211-K213 VanDerWaalsContact C-N 3.25Å; D211-K213 PolarHBondContact O-N 3.29Å; K213-E217 HydrophobicContact CB-CB 4.03Å; K213-E217 HydrophobicContact CD-CB 4.1Å; K213-Q218 PolarHBondContact O-NE2 3.47Å; K213-Q218 VanDerWaalsContact O-NE2 3.08Å
214G98.3Very high98.2Very high24 Ų2444.5 Ų44.525%0.24726%0.264CS..  trans-63.5168.1170.800000112.2T216 E217 Q218G214-T216 PolarHBondContact O-N 2.97Å; G214-E217 PolarHBondContact N-OE2 2.85Å; G214-E217 PolarHBondContact O-N 2.86Å; G214-Q218 PolarHBondContact O-NE2 2.85Å
215P98.3Very high98.3Very high76 Ų7646.3 Ų46.349%0.49427%0.273SS..G310 helixtrans-59.5-31.7-17620-30.3000113.4Q218 P222P215-Q218 WeakPolarHBondContact O-CG 3.28Å; P215-P222 VanDerWaalsContact O-CD 3.31Å; P215-P222 WeakPolarHBondContact O-CD 3.28Å
216T98.7Very high98.3Very high28 Ų2846.1 Ų46.117%0.17227%0.273CS..G310 helixtrans-90.8-1.3179.865.70000113.5L111 R179 G214 E223L111-T216 HydrophobicContact CD1-CG2 4.38Å; L111-T216 HydrophobicContact CD2-CG2 3.79Å; R179-T216 WeakPolarHBondContact CD-O 3.3Å; G214-T216 PolarHBondContact O-N 2.97Å; T216-E223 HydrophobicContact CG2-CB 3.74Å; T216-E223 HydrophobicContact CG2-CG 4.17Å
217E98.8Very high98.5Very high98 Ų9845.9 Ų45.946%0.45827%0.266SS..G310 helixtrans-107.310.3-179.5-56.9179.5121.100112.2A183 K213 G214A183-E217 WeakPolarHBondContact CB-O 3.47Å; K213-E217 HydrophobicContact CB-CB 4.03Å; K213-E217 HydrophobicContact CD-CB 4.1Å; G214-E217 PolarHBondContact N-OE2 2.85Å; G214-E217 PolarHBondContact O-N 2.86Å
218Q98.8Very high98.5Very high10 Ų1047 Ų475%0.04727%0.273CS..SBendtrans-75175.1177.8-65-62.4-3400112R179 K208 V210 K213 G214 P215 V220R179-Q218 VanDerWaalsContact CD-O 3.28Å; R179-Q218 WeakPolarHBondContact CD-O 3.44Å; R179-Q218 PolarHBondContact NE-O 3.42Å; K208-Q218 VanDerWaalsContact CA-OE1 3.29Å; K208-Q218 HydrophobicContact CB-CB 4.25Å; K208-Q218 HydrophobicContact CB-CG 4.04Å; K208-Q218 HydrophobicContact CG-CB 4.1Å; K208-Q218 HydrophobicContact CG-CG 4.33Å; K208-Q218 PolarHBondContact O-OE1 3.06Å; V210-Q218 PolarHBondContact O-NE2 2.97Å; K213-Q218 PolarHBondContact O-NE2 3.47Å; K213-Q218 VanDerWaalsContact O-NE2 3.08Å; G214-Q218 PolarHBondContact O-NE2 2.85Å; P215-Q218 WeakPolarHBondContact O-CG 3.28Å; Q218-V220 VanDerWaalsContact C-N 3.3Å; Q218-V220 PolarHBondContact O-N 2.94Å
219L98.8Very high98.5Very high17 Ų1747.9 Ų47.99%0.08928%0.278CS..SBendtrans-60.4-44.3175.6-61.7169.4000110.6R179 I180 A183 V192 Y207 V210R179-L219 PolarHBondContact NH2-O 3.27Å; I180-L219 VanDerWaalsContact CG1-O 3.31Å; I180-L219 WeakPolarHBondContact CG1-O 3.41Å; I180-L219 HydrophobicContact CG2-CD2 4.2Å; A183-L219 HydrophobicContact CB-CD2 3.87Å; A183-L219 HydrophobicContact CB-CG 4.31Å; V192-L219 HydrophobicContact CG1-CB 4.07Å; Y207-L219 HydrophobicContact CD1-CB 4.32Å; Y207-L219 HydrophobicContact CD1-CD1 4.17Å; Y207-L219 WeakPolarHBondContact O-CB 3.39Å; Y207-L219 PolarHBondContact O-N 3.44Å; V210-L219 HydrophobicContact CG2-CD1 4.44Å; V210-L219 HydrophobicContact CG2-CG 4.1Å
220V98.8Very high98.6Very high0 Ų048.6 Ų48.60%028%0.275CS..SBendtrans-113124.2172.7177.50000108.6L196 S199 A201 D204 Y207 K208 Q218L196-V220 HydrophobicContact CD2-CG1 4.48Å; L196-V220 HydrophobicContact CD2-CG2 3.45Å; L196-V220 VanDerWaalsContact CD2-CG2 3.45Å; S199-V220 WeakPolarHBondContact O-CA 3.48Å; A201-V220 HydrophobicContact CB-CG1 3.97Å; D204-V220 HydrophobicContact CB-CG1 4.31Å; Y207-V220 HydrophobicContact CD1-CG2 4.2Å; Y207-V220 HydrophobicContact CD2-CG2 4.47Å; Y207-V220 HydrophobicContact CG-CG2 3.83Å; K208-V220 VanDerWaalsContact CE-O 3.28Å; K208-V220 WeakPolarHBondContact CE-O 3.45Å; K208-V220 WeakPolarHBondContact CG-O 3.32Å; Q218-V220 VanDerWaalsContact C-N 3.3Å; Q218-V220 PolarHBondContact O-N 2.94Å
221S98.9Very high98.6Very high1 Ų150.4 Ų50.41%0.00728%0.278CS..BIsolated β-bridgetrans-96.1136.8-178.9-178.40000111.4S199 R200 A201 E223S199-S221 PolarHBondContact O-N 3.28Å; R200-S221 CarbonylContact C-O 3.57Å; R200-S221 WeakPolarHBondContact CA-O 3.31Å; R200-S221 VanDerWaalsContact CB-O 3.22Å; R200-S221 WeakPolarHBondContact CB-O 3.14Å; A201-S221 PolarHBondContact N-O 3.26Å; A201-S221 VanDerWaalsContact N-O 3.08Å; S221-E223 VanDerWaalsContact C-N 3.27Å; S221-E223 VanDerWaalsContact OG-CB 3.3Å; S221-E223 WeakPolarHBondContact OG-CB 3.4Å; S221-E223 PolarHBondContact OG-N 2.95Å; S221-E223 VanDerWaalsContact OG-N 3.13Å
222P98.9Very high98.6Very high1 Ų144.2 Ų44.21%0.00625%0.249CC..  trans-83.20.1168.533-32.7000113.3L111 D114 L202 P215 P224L111-P222 HydrophobicContact CD2-CB 4.42Å; L111-P222 HydrophobicContact CD2-CG 3.72Å; D114-P222 HydrophobicContact CB-CB 3.9Å; D114-P222 HydrophobicContact CB-CG 4.38Å; L202-P222 HydrophobicContact CD2-CB 4.05Å; P215-P222 VanDerWaalsContact O-CD 3.31Å; P215-P222 WeakPolarHBondContact O-CD 3.28Å; P222-P224 WeakPolarHBondContact O-CD 3.38Å
223E98.9Very high98.6Very high50 Ų5046.8 Ų46.823%0.23424%0.237CC..PPolyproline II helixtrans-72.5118.1-174.7-171168.2-132.800112.2R107 R200 T216 S221R107-E223 HydrophobicContact CG-CG 4.48Å; R107-E223 IonicContact CZ-OE1 2.74Å; R107-E223 IonicContact NE-OE1 3.52Å; R107-E223 PolarHBondContact NE-OE1 2.97Å; R107-E223 IonicContact NH2-OE1 3.97Å; R107-E223 PolarHBondContact NH2-OE1 2.73Å; R200-E223 VanDerWaalsContact CD-O 3.25Å; R200-E223 WeakPolarHBondContact CD-O 3.3Å; R200-E223 PolarHBondContact NH1-O 3.15Å; T216-E223 HydrophobicContact CG2-CB 3.74Å; T216-E223 HydrophobicContact CG2-CG 4.17Å; S221-E223 VanDerWaalsContact C-N 3.27Å; S221-E223 VanDerWaalsContact OG-CB 3.3Å; S221-E223 WeakPolarHBondContact OG-CB 3.4Å; S221-E223 PolarHBondContact OG-N 2.95Å; S221-E223 VanDerWaalsContact OG-N 3.13Å
224P98.9Very high98.6Very high10 Ų1048.2 Ų48.27%0.06525%0.245CC..PPolyproline II helixtrans-77150.8177.533.7-36.1000110.9I106 F110 I147 N148 C149 P222 V226I106-P224 HydrophobicContact CG2-CG 4.04Å; F110-P224 HydrophobicContact CB-CG 3.91Å; F110-P224 HydrophobicContact CD1-CB 4Å; F110-P224 HydrophobicContact CD1-CG 4.08Å; F110-P224 HydrophobicContact CD2-CB 4.06Å; F110-P224 HydrophobicContact CD2-CG 3.67Å; F110-P224 HydrophobicContact CE1-CB 4.02Å; F110-P224 HydrophobicContact CE2-CB 4.07Å; F110-P224 HydrophobicContact CE2-CG 4.15Å; F110-P224 HydrophobicContact CG-CB 4.01Å; F110-P224 HydrophobicContact CG-CG 3.61Å; F110-P224 HydrophobicContact CZ-CB 4.05Å; I147-P224 HydrophobicContact CG2-CB 4Å; N148-P224 CarbonylContact O-C 3.51Å; N148-P224 VanDerWaalsContact O-CA 3.32Å; N148-P224 WeakPolarHBondContact O-CA 3.3Å; C149-P224 HydrophobicContact CB-CB 4.34Å; P222-P224 WeakPolarHBondContact O-CD 3.38Å; P224-V226 HydrophobicContact CG-CG2 4.45Å
225E98.8Very high98.6Very high46 Ų4647.2 Ų47.222%0.21523%0.234CC..EExtended strand (participates in β ladder)trans-88.8135.4159-70.7-169.6141.700109.9I147 N148 H169 R200 Y227I147-E225 WeakPolarHBondContact CA-O 3.3Å; N148-E225 PolarHBondContact N-O 3.43Å; N148-E225 PolarHBondContact O-N 2.92Å; H169-E225 IonicContact CE1-OE2 3.86Å; H169-E225 WeakPolarHBondContact NE2-CG 3.15Å; H169-E225 IonicContact NE2-OE2 2.77Å; H169-E225 PolarHBondContact NE2-OE2 2.87Å; R200-E225 IonicContact NH2-OE1 2.66Å; E225-Y227 HydrophobicContact CB-CE2 4.34Å
226V98.8Very high98.6Very high15 Ų1544.7 Ų44.79%0.09122%0.215CC..EExtended strand (participates in β ladder)trans-126.3120.3-179.5-170.50000110.5K103 I106 F146 I147 P224K103-V226 WeakPolarHBondContact CE-O 3.28Å; K103-V226 HydrophobicContact CG-CB 4.29Å; K103-V226 HydrophobicContact CG-CG1 3.89Å; K103-V226 PolarHBondContact NZ-O 2.89Å; K103-V226 VanDerWaalsContact NZ-O 3.1Å; I106-V226 HydrophobicContact CB-CG2 4.04Å; I106-V226 HydrophobicContact CD1-CG1 3.8Å; I106-V226 HydrophobicContact CD1-CG2 4.32Å; I106-V226 HydrophobicContact CG2-CG2 3.56Å; F146-V226 CarbonylContact O-C 3.41Å; F146-V226 VanDerWaalsContact O-CA 3.27Å; F146-V226 WeakPolarHBondContact O-CA 3.2Å; I147-V226 HydrophobicContact CG1-CG1 4.44Å; P224-V226 HydrophobicContact CG-CG2 4.45Å
227Y98.7Very high98.6Very high91 Ų9143.3 Ų43.336%0.35721%0.207SC..EExtended strand (participates in β ladder)trans-113.3125.3175.2-75.1-87.6000110Y145 F146 F164 E225Y145-Y227 CarbonylContact C-O 3.58Å; Y145-Y227 WeakPolarHBondContact CA-O 3.49Å; F146-Y227 PolarHBondContact N-O 3.24Å; F146-Y227 PolarHBondContact O-N 3.29Å; F164-Y227 HydrophobicContact CE2-CD1 4.03Å; F164-Y227 HydrophobicContact CE2-CD2 4.2Å; F164-Y227 AromaticContact CE2-CG 3.75Å; F164-Y227 HydrophobicContact CE2-CG 3.75Å; F164-Y227 HydrophobicContact CZ-CD1 4.37Å; F164-Y227 AromaticContact CZ-CD2 3.77Å; F164-Y227 HydrophobicContact CZ-CD2 3.77Å; F164-Y227 AromaticContact CZ-CG 3.63Å; F164-Y227 HydrophobicContact CZ-CG 3.63Å; E225-Y227 HydrophobicContact CB-CE2 4.34Å
228E98.6Very high98.7Very high67 Ų6738.7 Ų38.731%0.31319%0.185SC..EExtended strand (participates in β ladder)trans-92.6137.6172.5164.5-80.9137.500108.7V99 H143 Y145 L230V99-E228 HydrophobicContact CG1-CB 4.11Å; V99-E228 HydrophobicContact CG1-CG 4.06Å; V99-E228 HydrophobicContact CG2-CG 4.2Å; H143-E228 HydrophobicContact CB-CG 4.28Å; H143-E228 IonicContact CD2-OE1 3.16Å; H143-E228 PolarHBondContact CD2-OE1 3.45Å; H143-E228 VanDerWaalsContact CD2-OE1 3.23Å; H143-E228 IonicContact NE2-OE1 2.66Å; Y145-E228 HydrophobicContact CD1-CB 3.8Å; Y145-E228 HydrophobicContact CD1-CG 4.28Å; Y145-E228 HydrophobicContact CE1-CB 3.76Å; Y145-E228 HydrophobicContact CE1-CG 3.84Å; E228-L230 PolarHBondContact OE1-N 3.18Å
229I98.8Very high98.7Very high26 Ų2638.2 Ų38.213%0.13318%0.183CC..EExtended strand (participates in β ladder)trans-133.3125.8172.6-63.4-179.3000108.1H143 I144 F146 L156 F164 R231H143-I229 CarbonylContact C-O 3.5Å; H143-I229 VanDerWaalsContact CA-O 3.32Å; H143-I229 WeakPolarHBondContact CA-O 3.32Å; I144-I229 PolarHBondContact N-O 3Å; I144-I229 PolarHBondContact O-N 3.3Å; F146-I229 HydrophobicContact CD2-CD1 3.92Å; F146-I229 HydrophobicContact CD2-CG1 4.44Å; F146-I229 HydrophobicContact CE2-CD1 3.83Å; L156-I229 HydrophobicContact CD2-CD1 4.27Å; L156-I229 HydrophobicContact CD2-CG2 4.13Å; F164-I229 HydrophobicContact CB-CD1 3.38Å; F164-I229 HydrophobicContact CD1-CD1 3.85Å; F164-I229 HydrophobicContact CD2-CD1 3.77Å; F164-I229 HydrophobicContact CG-CD1 3.38Å; I229-R231 PolarHBondContact O-N 3.29Å
230L98.7Very high98.7Very high105 Ų10537.4 Ų37.455%0.5518%0.179SC..EExtended strand (participates in β ladder)trans-59.4129.2167.6-78.8166.8000110.3H143 R158 E228H143-L230 VanDerWaalsContact CD2-CD2 3.43Å; H143-L230 WeakPolarHBondContact CD2-CD2 3.34Å; H143-L230 VanDerWaalsContact NE2-CD2 3.3Å; H143-L230 WeakPolarHBondContact NE2-CD2 3.44Å; R158-L230 PolarHBondContact NH2-O 3.01Å; E228-L230 PolarHBondContact OE1-N 3.18Å
231R98.7Very high98.7Very high76 Ų7637.4 Ų37.429%0.28718%0.179SC..  trans-61.4145.7170.7-72.2178.864.3179-2.4109.6S140 K142 I144 I229 D235S140-R231 WeakPolarHBondContact O-CD 3.46Å; S140-R231 PolarHBondContact O-NH1 2.77Å; K142-R231 WeakPolarHBondContact O-CB 3.4Å; K142-R231 PolarHBondContact O-N 2.94Å; I144-R231 HydrophobicContact CD1-CG 4.01Å; I144-R231 HydrophobicContact CG1-CG 3.72Å; I229-R231 PolarHBondContact O-N 3.29Å; R231-D235 WeakPolarHBondContact CA-OD2 3.21Å
232A98.2Very high98.7Very high30 Ų3037.3 Ų37.325%0.24818%0.178CC..  trans-135.4157.8179.100000109.6E234 D235A232-E234 WeakPolarHBondContact CB-OE2 3.43Å; A232-E234 PolarHBondContact O-N 3.44Å; A232-D235 PolarHBondContact N-OD2 2.92Å; A232-D235 WeakPolarHBondContact O-CB 3.37Å; A232-D235 PolarHBondContact O-N 3.47Å
233E96.6Very high98.7Very high142 Ų14238.5 Ų38.566%0.66419%0.185SC*.THydrogen-bonded Turntrans-63.1-29.4175.9-68-61.513500110.2D235 N297E233-D235 PolarHBondContact O-N 3.35Å; E233-N297 WeakPolarHBondContact O-CB 3.4Å; E233-N297 PolarHBondContact O-ND2 3.45Å
234E98.4Very high98.6Very high100 Ų10036.1 Ų36.147%0.46717%0.174SC..THydrogen-bonded Turntrans-75-1.3-179.1-51.675.6-162.300113.7R158 N159 A232 E236R158-E234 WeakPolarHBondContact CA-O 3.36Å; R158-E234 HydrophobicContact CG-CB 3.69Å; R158-E234 WeakPolarHBondContact CG-O 3.41Å; N159-E234 HydrophobicContact CB-CB 4.11Å; N159-E234 PolarHBondContact N-O 3.41Å; A232-E234 WeakPolarHBondContact CB-OE2 3.43Å; A232-E234 PolarHBondContact O-N 3.44Å; E234-E236 PolarHBondContact O-N 3.02Å
235D98.8Very high98.6Very high2 Ų235.7 Ų35.71%0.01117%0.171CC..EExtended strand (participates in β ladder)trans-61.5124.7176.2-77.3-33.5000110.7R158 R231 A232 E233 F295R158-D235 IonicContact CZ-OD1 2.83Å; R158-D235 IonicContact NE-OD1 3.57Å; R158-D235 PolarHBondContact NE-OD1 2.66Å; R158-D235 VanDerWaalsContact NH2-CG 3.28Å; R158-D235 IonicContact NH2-OD1 3.5Å; R158-D235 PolarHBondContact NH2-OD1 3.19Å; R158-D235 IonicContact NH2-OD2 2.67Å; R158-D235 PolarHBondContact NH2-OD2 3.41Å; R158-D235 VanDerWaalsContact NH2-OD2 3.14Å; R231-D235 WeakPolarHBondContact CA-OD2 3.21Å; A232-D235 PolarHBondContact N-OD2 2.92Å; A232-D235 WeakPolarHBondContact O-CB 3.37Å; A232-D235 PolarHBondContact O-N 3.47Å; E233-D235 PolarHBondContact O-N 3.35Å; D235-F295 HydrophobicContact CB-CB 4.26Å; D235-F295 HydrophobicContact CB-CD1 4.24Å; D235-F295 HydrophobicContact CB-CD2 3.69Å; D235-F295 HydrophobicContact CB-CE2 4.01Å; D235-F295 HydrophobicContact CB-CG 3.81Å; D235-F295 HydrophobicContact CB-CZ 4.44Å; D235-F295 VanDerWaalsContact O-CB 3.3Å; D235-F295 WeakPolarHBondContact O-CB 3.3Å
236E98.9Very high98.7Very high23 Ų2334 Ų3411%0.10716%0.162CC..EExtended strand (participates in β ladder)trans-106.5-63.9-177.6-72.6175.4-99.400111Y157 N159 G160 E234 F295 A298 P299Y157-E236 HydrophobicContact CD1-CB 4.16Å; Y157-E236 PolarHBondContact O-N 3.31Å; Y157-E236 VanDerWaalsContact O-N 3.13Å; N159-E236 WeakPolarHBondContact CA-OE1 3.43Å; N159-E236 PolarHBondContact N-OE1 3.47Å; G160-E236 PolarHBondContact N-OE1 2.66Å; E234-E236 PolarHBondContact O-N 3.02Å; E236-F295 PolarHBondContact O-N 2.79Å; E236-A298 VanDerWaalsContact O-CB 3.25Å; E236-A298 WeakPolarHBondContact O-CB 3.22Å; E236-P299 WeakPolarHBondContact OE2-CD 3.42Å; E236-P299 WeakPolarHBondContact OE2-CG 3.2Å
237F98.9Very high98.6Very high0 Ų038.6 Ų38.60%019%0.186CC..EExtended strand (participates in β ladder)trans-154.9161.5178.758-98.7000112.9Y157 I239 C255 V258 K259 L262 L292 V293 P299Y157-F237 VanDerWaalsContact CB-CE2 3.41Å; Y157-F237 HydrophobicContact CD1-CD1 4.17Å; Y157-F237 AromaticContact CD1-CE1 3.39Å; Y157-F237 HydrophobicContact CD1-CE1 3.39Å; Y157-F237 HydrophobicContact CD1-CE2 4.24Å; Y157-F237 AromaticContact CD1-CZ 3.43Å; Y157-F237 HydrophobicContact CD1-CZ 3.43Å; Y157-F237 VanDerWaalsContact CD1-CZ 3.43Å; Y157-F237 HydrophobicContact CD2-CZ 4.15Å; Y157-F237 AromaticContact CE1-CE1 3.98Å; Y157-F237 HydrophobicContact CE1-CE1 3.98Å; Y157-F237 HydrophobicContact CE1-CZ 4.06Å; Y157-F237 AromaticContact CG-CE1 3.89Å; Y157-F237 HydrophobicContact CG-CE1 3.89Å; Y157-F237 AromaticContact CG-CE2 3.87Å; Y157-F237 HydrophobicContact CG-CE2 3.87Å; Y157-F237 AromaticContact CG-CZ 3.45Å; Y157-F237 HydrophobicContact CG-CZ 3.45Å; Y157-F237 VanDerWaalsContact CG-CZ 3.45Å; Y157-F237 PolarHBondContact N-O 2.76Å; Y157-F237 PolarHBondContact O-N 3.43Å; F237-I239 HydrophobicContact CD2-CD1 4.1Å; F237-I239 HydrophobicContact CD2-CG1 4.04Å; F237-I239 HydrophobicContact CE2-CD1 3.73Å; F237-I239 HydrophobicContact CE2-CG1 4.2Å; F237-C255 HydrophobicContact CE2-CB 4.45Å; F237-C255 HydrophobicContact CZ-CB 4.42Å; F237-V258 HydrophobicContact CD2-CG1 4.22Å; F237-V258 HydrophobicContact CE1-CG1 4.37Å; F237-V258 HydrophobicContact CE2-CB 4.36Å; F237-V258 HydrophobicContact CE2-CG1 3.94Å; F237-V258 HydrophobicContact CZ-CB 4.37Å; F237-V258 HydrophobicContact CZ-CG1 4.02Å; F237-K259 HydrophobicContact CE1-CB 4.33Å; F237-K259 HydrophobicContact CZ-CB 4.47Å; F237-L262 HydrophobicContact CD1-CD1 3.81Å; F237-L262 HydrophobicContact CE1-CD1 4.16Å; F237-L262 HydrophobicContact CG-CD1 4.43Å; F237-L292 HydrophobicContact CB-CD1 3.96Å; F237-L292 HydrophobicContact CD2-CD1 4.04Å; F237-L292 HydrophobicContact CG-CD1 4.16Å; F237-V293 CarbonylContact C-O 3.58Å; F237-V293 WeakPolarHBondContact CA-O 3.38Å; F237-V293 WeakPolarHBondContact CB-O 3.42Å; F237-P299 HydrophobicContact CE1-CG 4.39Å
238I98.9Very high98.6Very high0 Ų036 Ų360%018%0.18CC..EExtended strand (participates in β ladder)trans-118.3139.1169.9-67.8162.1000108.3V137 I139 I144 F146 V155 L156 L240 V293 F295V137-I238 HydrophobicContact CG1-CD1 4.37Å; V137-I238 HydrophobicContact CG1-CG2 4.08Å; V137-I238 HydrophobicContact CG2-CD1 4.43Å; V137-I238 HydrophobicContact CG2-CG2 4.43Å; I139-I238 HydrophobicContact CD1-CD1 4.26Å; I144-I238 HydrophobicContact CD1-CD1 4.23Å; I144-I238 HydrophobicContact CG2-CD1 3.83Å; F146-I238 HydrophobicContact CE1-CG2 4.07Å; F146-I238 HydrophobicContact CZ-CD1 3.97Å; F146-I238 HydrophobicContact CZ-CG1 4.01Å; F146-I238 HydrophobicContact CZ-CG2 4.4Å; V155-I238 VanDerWaalsContact O-CA 3.27Å; V155-I238 WeakPolarHBondContact O-CA 3.33Å; L156-I238 HydrophobicContact CD1-CD1 4.23Å; L156-I238 HydrophobicContact CD1-CG1 3.63Å; I238-L240 HydrophobicContact CG2-CD1 3.75Å; I238-L240 HydrophobicContact CG2-CG 4.21Å; I238-V293 HydrophobicContact CB-CB 4.37Å; I238-V293 PolarHBondContact N-O 3.4Å; I238-V293 PolarHBondContact O-N 3.06Å; I238-F295 HydrophobicContact CD1-CE2 3.72Å; I238-F295 HydrophobicContact CD1-CZ 3.69Å; I238-F295 HydrophobicContact CG1-CE2 3.89Å; I238-F295 HydrophobicContact CG1-CZ 4.39Å
239I99Very high98.6Very high0 Ų032.9 Ų32.90%017%0.165CC..EExtended strand (participates in β ladder)trans-113.8133.5168.8-63.4158.9000107.8A154 V155 F237 W246 L254 V258 I290 V291 L292A154-I239 CarbonylContact C-O 3.57Å; A154-I239 WeakPolarHBondContact CA-O 3.43Å; V155-I239 HydrophobicContact CG1-CB 3.82Å; V155-I239 HydrophobicContact CG1-CD1 4.3Å; V155-I239 PolarHBondContact N-O 2.91Å; V155-I239 PolarHBondContact O-N 3.28Å; F237-I239 HydrophobicContact CD2-CD1 4.1Å; F237-I239 HydrophobicContact CD2-CG1 4.04Å; F237-I239 HydrophobicContact CE2-CD1 3.73Å; F237-I239 HydrophobicContact CE2-CG1 4.2Å; I239-W246 HydrophobicContact CG2-CH2 4.17Å; I239-W246 HydrophobicContact CG2-CZ2 4.02Å; I239-L254 HydrophobicContact CD1-CD2 4.32Å; I239-L254 HydrophobicContact CD1-CG 4.1Å; I239-L254 HydrophobicContact CG2-CD2 3.93Å; I239-V258 HydrophobicContact CD1-CB 4.06Å; I239-V258 HydrophobicContact CD1-CG1 4.28Å; I239-V258 HydrophobicContact CD1-CG2 3.71Å; I239-V258 HydrophobicContact CG1-CG2 4.45Å; I239-I290 HydrophobicContact CG2-CD1 3.7Å; I239-I290 HydrophobicContact CG2-CG1 3.98Å; I239-V291 WeakPolarHBondContact CA-O 3.49Å; I239-L292 HydrophobicContact CG1-CD1 3.93Å
240L98.9Very high98.6Very high0 Ų033.8 Ų33.80%017%0.174CC..EExtended strand (participates in β ladder)trans-119.9129.7166.8-5494.4000107.8F56 V58 V135 G136 V137 A154 I238 I290 V291 V293F56-L240 HydrophobicContact CB-CD1 4.21Å; V58-L240 HydrophobicContact CG2-CB 4.03Å; V135-L240 HydrophobicContact CG1-CB 4.42Å; G136-L240 VanDerWaalsContact CA-CD2 3.43Å; V137-L240 HydrophobicContact CG1-CD2 4.35Å; V137-L240 HydrophobicContact CG2-CD1 4.19Å; V137-L240 HydrophobicContact CG2-CD2 4.27Å; A154-L240 HydrophobicContact CB-CB 4.43Å; A154-L240 HydrophobicContact CB-CD2 4.21Å; A154-L240 HydrophobicContact CB-CG 3.93Å; I238-L240 HydrophobicContact CG2-CD1 3.75Å; I238-L240 HydrophobicContact CG2-CG 4.21Å; L240-I290 CarbonylContact O-C 3.44Å; L240-I290 VanDerWaalsContact O-CA 3.28Å; L240-I290 WeakPolarHBondContact O-CA 3.29Å; L240-V291 HydrophobicContact CB-CB 4.34Å; L240-V291 HydrophobicContact CD1-CB 4.07Å; L240-V291 HydrophobicContact CD1-CG1 4.24Å; L240-V291 PolarHBondContact N-O 3.04Å; L240-V291 PolarHBondContact O-N 3.23Å; L240-V293 HydrophobicContact CD1-CG2 4.28Å
241A98.9Very high98.7Very high0 Ų030.1 Ų30.10%016%0.155CC..EExtended strand (participates in β ladder)trans-152.5158.5176.300000112.9S152 R153 I245 W246 S289 I290S152-A241 WeakPolarHBondContact CB-O 3.45Å; R153-A241 PolarHBondContact N-O 3.12Å; R153-A241 PolarHBondContact O-N 2.88Å; A241-I245 HydrophobicContact CB-CB 3.85Å; A241-I245 HydrophobicContact CB-CG1 3.86Å; A241-I245 HydrophobicContact CB-CG2 4.13Å; A241-W246 HydrophobicContact CB-CZ2 4.3Å; A241-W246 PolarHBondContact O-NE1 3.37Å; A241-S289 WeakPolarHBondContact CA-O 3.39Å; A241-S289 VanDerWaalsContact CB-O 3.27Å; A241-S289 WeakPolarHBondContact CB-O 3.21Å; A241-I290 HydrophobicContact CB-CB 4.21Å; A241-I290 HydrophobicContact CB-CG1 4.36Å
242C98.9Very high98.7Very high0 Ų031.6 Ų31.60%017%0.165CC..  trans-75.3172.3170.462.80000112.1D38 V58 D60 G244 I245 W246 S289D38-C242 PolarHBondContact OD2-SG 3.08Å; V58-C242 HydrophobicContact CG1-CB 4.22Å; D60-C242 HydrophobicContact CB-CB 3.94Å; D60-C242 WeakPolarHBondContact OD2-CB 3.2Å; C242-G244 PolarHBondContact O-N 2.96Å; C242-I245 PolarHBondContact O-N 3.14Å; C242-W246 PolarHBondContact O-N 3.28Å; C242-S289 PolarHBondContact N-O 3.11Å; C242-S289 PolarHBondContact SG-N 3.1Å
243D98.6Very high98.7Very high26 Ų2634 Ų3414%0.13917%0.171CC..Hα-helixtrans-65.6-25.3-177.572.2-12000112.5I245 W246 D247D243-I245 CarbonylContact O-C 3.51Å; D243-I245 PolarHBondContact O-N 3.47Å; D243-W246 PolarHBondContact O-N 3.36Å; D243-D247 VanDerWaalsContact O-CB 3.26Å; D243-D247 WeakPolarHBondContact O-CB 3.38Å; D243-D247 PolarHBondContact O-N 3.13Å
244G98.6Very high98.8Very high0 Ų027.2 Ų27.20%014%0.14CC..Hα-helixtrans-53.6-21.2171.600000114.8C242 S284 M288C242-G244 PolarHBondContact O-N 2.96Å; G244-S284 VanDerWaalsContact O-CB 3.23Å; G244-S284 WeakPolarHBondContact O-CB 3.37Å; G244-S284 PolarHBondContact O-OG 3.44Å; G244-M288 WeakPolarHBondContact O-CG 3.39Å
245I98.9Very high98.8Very high0 Ų022.5 Ų22.50%012%0.117CC..Hα-helixtrans-92.6-50.1168.6-60.8-60.4000111.1A241 C242 D243 D247 V248 M249 L254 V275 V276 C279 M288A241-I245 HydrophobicContact CB-CB 3.85Å; A241-I245 HydrophobicContact CB-CG1 3.86Å; A241-I245 HydrophobicContact CB-CG2 4.13Å; C242-I245 PolarHBondContact O-N 3.14Å; D243-I245 CarbonylContact O-C 3.51Å; D243-I245 PolarHBondContact O-N 3.47Å; I245-D247 VanDerWaalsContact C-N 3.29Å; I245-D247 PolarHBondContact O-N 2.85Å; I245-V248 WeakPolarHBondContact O-CG2 3.46Å; I245-V248 PolarHBondContact O-N 3.15Å; I245-M249 PolarHBondContact O-N 2.85Å; I245-L254 HydrophobicContact CG2-CD2 3.69Å; I245-V275 HydrophobicContact CD1-CG1 4.18Å; I245-V275 HydrophobicContact CG2-CG1 4.18Å; I245-V276 HydrophobicContact CD1-CG2 4.38Å; I245-C279 HydrophobicContact CD1-CB 3.77Å; I245-M288 HydrophobicContact CD1-CB 3.88Å; I245-M288 HydrophobicContact CD1-CG 3.73Å; I245-M288 HydrophobicContact CD1-SD 3.97Å; I245-M288 HydrophobicContact CG1-CB 4.43Å; I245-M288 HydrophobicContact CG1-CG 4.33Å
246W98.8Very high98.8Very high12 Ų1225.4 Ų25.45%0.04513%0.131CC..Hα-helixtrans-71.9-17.9-171.4-60.8116.4000115R153 V155 I239 A241 C242 D243 V248 L254R153-W246 HydrophobicContact CB-CD2 4.18Å; R153-W246 HydrophobicContact CB-CG 4.1Å; R153-W246 HydrophobicContact CB-CZ2 4.33Å; R153-W246 PolarHBondContact O-NE1 2.85Å; R153-W246 VanDerWaalsContact O-NE1 3.13Å; V155-W246 HydrophobicContact CB-CH2 4.38Å; V155-W246 HydrophobicContact CG1-CH2 3.75Å; V155-W246 HydrophobicContact CG1-CZ2 4.41Å; I239-W246 HydrophobicContact CG2-CH2 4.17Å; I239-W246 HydrophobicContact CG2-CZ2 4.02Å; A241-W246 HydrophobicContact CB-CZ2 4.3Å; A241-W246 PolarHBondContact O-NE1 3.37Å; C242-W246 PolarHBondContact O-N 3.28Å; D243-W246 PolarHBondContact O-N 3.36Å; W246-V248 PolarHBondContact O-N 3.14Å; W246-L254 HydrophobicContact CE3-CD2 4.15Å; W246-L254 HydrophobicContact CH2-CD2 3.52Å; W246-L254 HydrophobicContact CZ2-CD2 4.13Å; W246-L254 HydrophobicContact CZ3-CB 4.07Å; W246-L254 HydrophobicContact CZ3-CD2 3.5Å; W246-L254 HydrophobicContact CZ3-CG 4.39Å
247D98.4Very high98.8Very high110 Ų11024.3 Ų24.359%0.58813%0.126SC*.THydrogen-bonded Turntrans-68.1-23.6175.2-85.2-2.9000112.3D243 I245D243-D247 VanDerWaalsContact O-CB 3.26Å; D243-D247 WeakPolarHBondContact O-CB 3.38Å; D243-D247 PolarHBondContact O-N 3.13Å; I245-D247 VanDerWaalsContact C-N 3.29Å; I245-D247 PolarHBondContact O-N 2.85Å
248V98.8Very high98.8Very high37 Ų3724.3 Ų24.322%0.22413%0.126CC..THydrogen-bonded Turntrans-122.3-7.1-174.6-61.20000114.4I245 W246 C279 K282I245-V248 WeakPolarHBondContact O-CG2 3.46Å; I245-V248 PolarHBondContact O-N 3.15Å; W246-V248 PolarHBondContact O-N 3.14Å; V248-C279 HydrophobicContact CG2-CB 3.59Å; V248-K282 HydrophobicContact CB-CB 3.98Å; V248-K282 HydrophobicContact CG2-CB 4.2Å
249M98.8Very high98.8Very high2 Ų226.9 Ų26.91%0.0114%0.137CC..SBendtrans-138.6125.5173.6-65.3-169.371.500110.7I245 E253 L254 F257 T278 C279 K282I245-M249 PolarHBondContact O-N 2.85Å; M249-E253 HydrophobicContact CE-CB 4.27Å; M249-L254 HydrophobicContact CB-CB 4.22Å; M249-L254 HydrophobicContact CE-CB 4.33Å; M249-L254 HydrophobicContact CE-CD1 4.08Å; M249-L254 HydrophobicContact SD-CD1 4Å; M249-F257 HydrophobicContact CE-CB 3.89Å; M249-F257 HydrophobicContact CE-CD1 4.33Å; M249-F257 HydrophobicContact CE-CG 4.19Å; M249-T278 HydrophobicContact SD-CG2 4.11Å; M249-C279 VanDerWaalsContact SD-SG 3.64Å; M249-K282 HydrophobicContact CG-CD 3.71Å; M249-K282 HydrophobicContact SD-CD 4.12Å
250S98.8Very high98.8Very high45 Ų4527.5 Ų27.532%0.31514%0.142SC..  trans-69.5168.7172.564.30000112.2E252 E253 L254S250-E252 VanDerWaalsContact C-N 3.34Å; S250-E252 PolarHBondContact O-N 2.84Å; S250-E253 VanDerWaalsContact CB-OE2 3.29Å; S250-E253 WeakPolarHBondContact CB-OE2 3.46Å; S250-E253 PolarHBondContact N-OE2 3.14Å; S250-E253 PolarHBondContact O-N 2.85Å; S250-E253 WeakPolarHBondContact OG-CB 3.31Å; S250-E253 VanDerWaalsContact OG-CD 3.24Å; S250-E253 WeakPolarHBondContact OG-CG 3.42Å; S250-E253 PolarHBondContact OG-N 2.79Å; S250-E253 PolarHBondContact OG-OE2 3.2Å; S250-L254 WeakPolarHBondContact O-CB 3.03Å; S250-L254 PolarHBondContact O-N 2.68Å
251N98.8Very high98.8Very high27 Ų2728.2 Ų28.214%0.14414%0.144CC..Hα-helixtrans-54.8-49.6179.1-67.1-4.4000111.8R153 V162 S165 C255R153-N251 WeakPolarHBondContact CD-OD1 3.41Å; R153-N251 PolarHBondContact NH1-OD1 3.28Å; V162-N251 HydrophobicContact CG1-CB 4.5Å; V162-N251 HydrophobicContact CG2-CB 4.31Å; S165-N251 WeakPolarHBondContact CB-ND2 3.07Å; S165-N251 PolarHBondContact OG-ND2 3.16Å; S165-N251 VanDerWaalsContact OG-ND2 3.16Å; N251-C255 WeakPolarHBondContact O-CB 3.42Å; N251-C255 PolarHBondContact O-N 2.68Å; N251-C255 PolarHBondContact O-SG 3.18Å
252E98.8Very high98.8Very high108 Ų10828.4 Ų28.451%0.50515%0.145SC..Hα-helixtrans-69-44.2-178-66.469.8-152.500111.5V162 S250 L254 C255 E256V162-E252 HydrophobicContact CG2-CG 4.21Å; S250-E252 VanDerWaalsContact C-N 3.34Å; S250-E252 PolarHBondContact O-N 2.84Å; E252-L254 VanDerWaalsContact C-N 3.34Å; E252-L254 PolarHBondContact O-N 2.96Å; E252-C255 PolarHBondContact O-N 2.88Å; E252-E256 WeakPolarHBondContact O-CG 3.27Å; E252-E256 PolarHBondContact O-N 3.32Å
253E98.8Very high98.8Very high80 Ų8031.4 Ų31.437%0.37416%0.159SC..Hα-helixtrans-60.1-44.9178.2-73169.912800111.8M249 S250 F257M249-E253 HydrophobicContact CE-CB 4.27Å; S250-E253 VanDerWaalsContact CB-OE2 3.29Å; S250-E253 WeakPolarHBondContact CB-OE2 3.46Å; S250-E253 PolarHBondContact N-OE2 3.14Å; S250-E253 PolarHBondContact O-N 2.85Å; S250-E253 WeakPolarHBondContact OG-CB 3.31Å; S250-E253 VanDerWaalsContact OG-CD 3.24Å; S250-E253 WeakPolarHBondContact OG-CG 3.42Å; S250-E253 PolarHBondContact OG-N 2.79Å; S250-E253 PolarHBondContact OG-OE2 3.2Å; E253-F257 VanDerWaalsContact O-CB 3.27Å; E253-F257 WeakPolarHBondContact O-CB 3.45Å; E253-F257 PolarHBondContact O-N 3.45Å
254L98.9Very high98.8Very high0 Ų031.5 Ų31.50%016%0.16CC..Hα-helixtrans-70-39.8-179.3-175.159.7000112I239 I245 W246 M249 S250 E252 F257 V258 V275I239-L254 HydrophobicContact CD1-CD2 4.32Å; I239-L254 HydrophobicContact CD1-CG 4.1Å; I239-L254 HydrophobicContact CG2-CD2 3.93Å; I245-L254 HydrophobicContact CG2-CD2 3.69Å; W246-L254 HydrophobicContact CE3-CD2 4.15Å; W246-L254 HydrophobicContact CH2-CD2 3.52Å; W246-L254 HydrophobicContact CZ2-CD2 4.13Å; W246-L254 HydrophobicContact CZ3-CB 4.07Å; W246-L254 HydrophobicContact CZ3-CD2 3.5Å; W246-L254 HydrophobicContact CZ3-CG 4.39Å; M249-L254 HydrophobicContact CB-CB 4.22Å; M249-L254 HydrophobicContact CE-CB 4.33Å; M249-L254 HydrophobicContact CE-CD1 4.08Å; M249-L254 HydrophobicContact SD-CD1 4Å; S250-L254 WeakPolarHBondContact O-CB 3.03Å; S250-L254 PolarHBondContact O-N 2.68Å; E252-L254 VanDerWaalsContact C-N 3.34Å; E252-L254 PolarHBondContact O-N 2.96Å; L254-F257 PolarHBondContact O-N 3.24Å; L254-V258 HydrophobicContact CD1-CG2 4.15Å; L254-V258 HydrophobicContact CG-CG2 4.43Å; L254-V258 WeakPolarHBondContact O-CB 3.26Å; L254-V258 WeakPolarHBondContact O-CG2 3.46Å; L254-V258 PolarHBondContact O-N 2.85Å; L254-V275 HydrophobicContact CD1-CB 4.35Å; L254-V275 HydrophobicContact CD1-CG1 3.54Å; L254-V275 HydrophobicContact CD1-CG2 3.86Å
255C98.9Very high98.8Very high0 Ų032.5 Ų32.50%017%0.167CC..Hα-helixtrans-64.4-45.3177.4-71.10000112.2Y157 V162 F237 N251 E252 F257 V258 K259Y157-C255 HydrophobicContact CD2-CB 3.44Å; Y157-C255 VanDerWaalsContact CD2-CB 3.44Å; Y157-C255 HydrophobicContact CE2-CB 3.63Å; Y157-C255 HydrophobicContact CG-CB 4.31Å; V162-C255 HydrophobicContact CG2-CB 4.15Å; F237-C255 HydrophobicContact CE2-CB 4.45Å; F237-C255 HydrophobicContact CZ-CB 4.42Å; N251-C255 WeakPolarHBondContact O-CB 3.42Å; N251-C255 PolarHBondContact O-N 2.68Å; N251-C255 PolarHBondContact O-SG 3.18Å; E252-C255 PolarHBondContact O-N 2.88Å; C255-F257 VanDerWaalsContact C-N 3.32Å; C255-F257 PolarHBondContact O-N 2.93Å; C255-V258 PolarHBondContact O-N 2.93Å; C255-K259 WeakPolarHBondContact O-CB 3.18Å; C255-K259 PolarHBondContact O-N 2.82Å
256E98.9Very high98.7Very high64 Ų6437.1 Ų37.130%0.29919%0.192SC..Hα-helixtrans-65.8-37.4176.3-68.5-54.6126.600111.6Y157 E252 K259 S260 P352Y157-E256 PolarHBondContact OH-OE1 2.93Å; E252-E256 WeakPolarHBondContact O-CG 3.27Å; E252-E256 PolarHBondContact O-N 3.32Å; E256-K259 IonicContact OE2-NZ 3.86Å; E256-S260 WeakPolarHBondContact O-CB 3.17Å; E256-S260 PolarHBondContact O-N 3.12Å; E256-P352 HydrophobicContact CB-CB 4.02Å; E256-P352 HydrophobicContact CB-CG 4.13Å
257F98.9Very high98.7Very high0 Ų040.3 Ų40.30%021%0.21CC..Hα-helixtrans-61.7-52.9174.4-175.7-114.5000111.3M249 E253 L254 C255 K259 S260 R261 W274 V275 T278 P351 P352M249-F257 HydrophobicContact CE-CB 3.89Å; M249-F257 HydrophobicContact CE-CD1 4.33Å; M249-F257 HydrophobicContact CE-CG 4.19Å; E253-F257 VanDerWaalsContact O-CB 3.27Å; E253-F257 WeakPolarHBondContact O-CB 3.45Å; E253-F257 PolarHBondContact O-N 3.45Å; L254-F257 PolarHBondContact O-N 3.24Å; C255-F257 VanDerWaalsContact C-N 3.32Å; C255-F257 PolarHBondContact O-N 2.93Å; F257-K259 VanDerWaalsContact C-N 3.35Å; F257-K259 PolarHBondContact O-N 2.95Å; F257-S260 WeakPolarHBondContact O-CB 3.34Å; F257-S260 PolarHBondContact O-N 2.66Å; F257-S260 VanDerWaalsContact O-N 3.1Å; F257-S260 PolarHBondContact O-OG 3.25Å; F257-R261 HydrophobicContact CD1-CG 4.36Å; F257-R261 HydrophobicContact CD2-CG 4.43Å; F257-R261 HydrophobicContact CE1-CG 4.02Å; F257-R261 HydrophobicContact CE2-CG 4.1Å; F257-R261 HydrophobicContact CZ-CG 3.89Å; F257-R261 WeakPolarHBondContact O-CG 3.12Å; F257-R261 PolarHBondContact O-N 3.38Å; F257-W274 HydrophobicContact CE1-CB 4.42Å; F257-W274 HydrophobicContact CZ-CB 4.38Å; F257-V275 HydrophobicContact CD1-CG2 3.96Å; F257-V275 HydrophobicContact CE1-CG2 3.99Å; F257-T278 HydrophobicContact CE1-CG2 4.44Å; F257-T278 HydrophobicContact CZ-CG2 4.33Å; F257-T278 VanDerWaalsContact CZ-OG1 3.28Å; F257-T278 WeakPolarHBondContact CZ-OG1 3.26Å; F257-P351 HydrophobicContact CD2-CB 3.75Å; F257-P351 HydrophobicContact CE2-CB 3.63Å; F257-P351 HydrophobicContact CE2-CG 4.33Å; F257-P352 VanDerWaalsContact CA-O 3.23Å; F257-P352 WeakPolarHBondContact CA-O 3.41Å; F257-P352 VanDerWaalsContact CB-O 3.25Å; F257-P352 WeakPolarHBondContact CB-O 3.15Å; F257-P352 PolarHBondContact N-O 2.96Å
258V98.9Very high98.8Very high0 Ų035.3 Ų35.30%018%0.184CC..Hα-helixtrans-58.4-45.2178.9165.80000111.4F237 I239 L254 C255 S260 R261 L262 V271 V275 L292F237-V258 HydrophobicContact CD2-CG1 4.22Å; F237-V258 HydrophobicContact CE1-CG1 4.37Å; F237-V258 HydrophobicContact CE2-CB 4.36Å; F237-V258 HydrophobicContact CE2-CG1 3.94Å; F237-V258 HydrophobicContact CZ-CB 4.37Å; F237-V258 HydrophobicContact CZ-CG1 4.02Å; I239-V258 HydrophobicContact CD1-CB 4.06Å; I239-V258 HydrophobicContact CD1-CG1 4.28Å; I239-V258 HydrophobicContact CD1-CG2 3.71Å; I239-V258 HydrophobicContact CG1-CG2 4.45Å; L254-V258 HydrophobicContact CD1-CG2 4.15Å; L254-V258 HydrophobicContact CG-CG2 4.43Å; L254-V258 WeakPolarHBondContact O-CB 3.26Å; L254-V258 WeakPolarHBondContact O-CG2 3.46Å; L254-V258 PolarHBondContact O-N 2.85Å; C255-V258 PolarHBondContact O-N 2.93Å; V258-S260 VanDerWaalsContact C-N 3.35Å; V258-S260 PolarHBondContact O-N 3.3Å; V258-R261 PolarHBondContact O-N 2.97Å; V258-R261 VanDerWaalsContact O-N 3.1Å; V258-L262 HydrophobicContact CG1-CD1 3.88Å; V258-L262 HydrophobicContact CG1-CG 4.28Å; V258-L262 WeakPolarHBondContact O-CG 3.5Å; V258-L262 PolarHBondContact O-N 2.81Å; V258-V271 HydrophobicContact CG1-CG1 4.31Å; V258-V275 HydrophobicContact CG2-CG2 3.74Å; V258-L292 HydrophobicContact CG1-CD1 3.79Å; V258-L292 HydrophobicContact CG1-CD2 4Å
259K98.8Very high98.8Very high53 Ų5335.5 Ų35.523%0.2318%0.182CC..Hα-helixtrans-55-49.8173.4172.1179.2171-168.80111.6Y157 F237 C255 E256 F257 R261 L262 E263 P299Y157-K259 HydrophobicContact CE1-CD 4.12Å; Y157-K259 WeakPolarHBondContact OH-CD 3.34Å; F237-K259 HydrophobicContact CE1-CB 4.33Å; F237-K259 HydrophobicContact CZ-CB 4.47Å; C255-K259 WeakPolarHBondContact O-CB 3.18Å; C255-K259 PolarHBondContact O-N 2.82Å; E256-K259 IonicContact OE2-NZ 3.86Å; F257-K259 VanDerWaalsContact C-N 3.35Å; F257-K259 PolarHBondContact O-N 2.95Å; K259-R261 PolarHBondContact O-N 3.47Å; K259-L262 PolarHBondContact O-N 2.83Å; K259-E263 WeakPolarHBondContact O-CG 3.23Å; K259-E263 PolarHBondContact O-N 3.19Å; K259-P299 HydrophobicContact CB-CG 4.47Å; K259-P299 HydrophobicContact CG-CB 4.49Å; K259-P299 HydrophobicContact CG-CG 3.95Å
260S98.8Very high98.8Very high14 Ų1437.7 Ų37.710%0.09819%0.194CC..Hα-helixtrans-60.4-31178.883.10000113E256 F257 V258 V264E256-S260 WeakPolarHBondContact O-CB 3.17Å; E256-S260 PolarHBondContact O-N 3.12Å; F257-S260 WeakPolarHBondContact O-CB 3.34Å; F257-S260 PolarHBondContact O-N 2.66Å; F257-S260 VanDerWaalsContact O-N 3.1Å; F257-S260 PolarHBondContact O-OG 3.25Å; V258-S260 VanDerWaalsContact C-N 3.35Å; V258-S260 PolarHBondContact O-N 3.3Å; S260-V264 WeakPolarHBondContact O-CG2 3.44Å
261R98.8Very high98.8Very high14 Ų1435.6 Ų35.65%0.05318%0.179CC..Hα-helixtrans-79.6-36.5178.5-65.9-51.685.6-174.8-3.8111.8F257 V258 K259 E263 V264 S265 V271 W274 D309F257-R261 HydrophobicContact CD1-CG 4.36Å; F257-R261 HydrophobicContact CD2-CG 4.43Å; F257-R261 HydrophobicContact CE1-CG 4.02Å; F257-R261 HydrophobicContact CE2-CG 4.1Å; F257-R261 HydrophobicContact CZ-CG 3.89Å; F257-R261 WeakPolarHBondContact O-CG 3.12Å; F257-R261 PolarHBondContact O-N 3.38Å; V258-R261 PolarHBondContact O-N 2.97Å; V258-R261 VanDerWaalsContact O-N 3.1Å; K259-R261 PolarHBondContact O-N 3.47Å; R261-E263 VanDerWaalsContact C-N 3.29Å; R261-E263 PolarHBondContact O-N 3.07Å; R261-V264 PolarHBondContact O-N 2.82Å; R261-S265 PolarHBondContact O-N 2.84Å; R261-V271 HydrophobicContact CB-CG1 3.91Å; R261-V271 HydrophobicContact CB-CG2 4.06Å; R261-W274 HydrophobicContact CB-CE3 3.73Å; R261-W274 HydrophobicContact CB-CZ3 3.94Å; R261-W274 VanDerWaalsContact CD-CE3 3.48Å; R261-W274 HydrophobicContact CG-CE3 3.73Å; R261-W274 HydrophobicContact CG-CZ3 4.29Å; R261-D309 IonicContact CZ-OD1 3.23Å; R261-D309 IonicContact NH1-OD1 2.75Å; R261-D309 PolarHBondContact NH1-OD1 2.94Å; R261-D309 IonicContact NH1-OD2 2.96Å; R261-D309 IonicContact NH2-OD1 2.62Å; R261-D309 PolarHBondContact NH2-OD1 3.47Å
262L98.8Very high98.8Very high4 Ų434.3 Ų34.32%0.02117%0.172CC..Hα-helixtrans-65.2-30.9173-73.2171.8000112.7F237 V258 K259 V264 S265 L268 V271 L292 P299F237-L262 HydrophobicContact CD1-CD1 3.81Å; F237-L262 HydrophobicContact CE1-CD1 4.16Å; F237-L262 HydrophobicContact CG-CD1 4.43Å; V258-L262 HydrophobicContact CG1-CD1 3.88Å; V258-L262 HydrophobicContact CG1-CG 4.28Å; V258-L262 WeakPolarHBondContact O-CG 3.5Å; V258-L262 PolarHBondContact O-N 2.81Å; K259-L262 PolarHBondContact O-N 2.83Å; L262-V264 PolarHBondContact O-N 2.91Å; L262-S265 WeakPolarHBondContact CA-O 3.21Å; L262-L268 HydrophobicContact CD2-CD2 3.48Å; L262-L268 VanDerWaalsContact CD2-CD2 3.48Å; L262-V271 HydrophobicContact CD2-CG2 4.23Å; L262-L292 HydrophobicContact CD2-CD2 4.28Å; L262-P299 HydrophobicContact CB-CB 4.06Å; L262-P299 HydrophobicContact CD1-CG 4.49Å
263E98.8Very high98.8Very high64 Ų6430.5 Ų30.530%0.29916%0.155SC..THydrogen-bonded Turntrans-69.9-15.2172-70.6175.4-175.700112.9K259 R261 P299 V301 S302 A305K259-E263 WeakPolarHBondContact O-CG 3.23Å; K259-E263 PolarHBondContact O-N 3.19Å; R261-E263 VanDerWaalsContact C-N 3.29Å; R261-E263 PolarHBondContact O-N 3.07Å; E263-P299 HydrophobicContact CG-CB 4.18Å; E263-V301 CarbonylContact O-C 3.44Å; E263-V301 WeakPolarHBondContact O-CA 3.12Å; E263-S302 PolarHBondContact O-N 2.85Å; E263-A305 HydrophobicContact CB-CB 3.8Å
264V98.6Very high98.8Very high27 Ų2729.5 Ų29.516%0.16415%0.148CC..THydrogen-bonded Turntrans-104.9-33.11791770000112.2S260 R261 L262 W274 A305 V306 D309S260-V264 WeakPolarHBondContact O-CG2 3.44Å; R261-V264 PolarHBondContact O-N 2.82Å; L262-V264 PolarHBondContact O-N 2.91Å; V264-W274 HydrophobicContact CG1-CH2 4.35Å; V264-A305 HydrophobicContact CG2-CB 4.32Å; V264-V306 HydrophobicContact CG1-CG2 4.46Å; V264-D309 HydrophobicContact CG1-CB 4.35Å; V264-D309 HydrophobicContact CG2-CB 3.94Å
265S98.5Very high98.8Very high21 Ų2129.5 Ų29.515%0.14715%0.148CC..  trans-145.3136-175.8179.90000111.1R261 L262 D267R261-S265 PolarHBondContact O-N 2.84Å; L262-S265 WeakPolarHBondContact CA-O 3.21Å; S265-D267 WeakPolarHBondContact OG-CB 3.43Å; S265-D267 PolarHBondContact OG-N 3.44Å
266D98.1Very high98.8Very high98 Ų9829.5 Ų29.552%0.52415%0.148SC..  trans-91-3.7169.771.1-29.4000113R23 L268 V301R23-D266 PolarHBondContact NH1-O 3.44Å; R23-D266 PolarHBondContact NH2-O 3.43Å; D266-L268 PolarHBondContact O-N 3.16Å; D266-V301 HydrophobicContact CB-CG2 3.96Å
267D98.8Very high98.8Very high78 Ų7827.5 Ų27.542%0.41714%0.139SC..  trans-70.8103.1170.2-177.8-14.2000110.4S265 E269 N270 V271S265-D267 WeakPolarHBondContact OG-CB 3.43Å; S265-D267 PolarHBondContact OG-N 3.44Å; D267-E269 PolarHBondContact OD1-N 2.94Å; D267-N270 HydrophobicContact CB-CB 3.96Å; D267-N270 PolarHBondContact O-N 2.97Å; D267-N270 PolarHBondContact OD1-N 2.98Å; D267-N270 VanDerWaalsContact OD1-N 3.11Å; D267-V271 WeakPolarHBondContact O-CG2 3.43Å; D267-V271 PolarHBondContact O-N 3.13Å
268L98.9Very high98.8Very high6 Ų627.6 Ų27.63%0.03114%0.14CC..Hα-helixtrans-72.4-27.4-175.6-56.5-175.1000113R23 Y24 L262 D266 C272 L292 C294R23-L268 HydrophobicContact CB-CD1 3.71Å; Y24-L268 VanDerWaalsContact C-CD1 3.48Å; L262-L268 HydrophobicContact CD2-CD2 3.48Å; L262-L268 VanDerWaalsContact CD2-CD2 3.48Å; D266-L268 PolarHBondContact O-N 3.16Å; L268-C272 WeakPolarHBondContact O-CB 3.15Å; L268-C272 PolarHBondContact O-N 2.9Å; L268-C272 PolarHBondContact O-SG 2.97Å; L268-L292 HydrophobicContact CD2-CD2 4.06Å; L268-C294 HydrophobicContact CD1-CB 4.29Å
269E98.9Very high98.8Very high41 Ų4127.6 Ų27.619%0.19214%0.14CC..Hα-helixtrans-66.9-43.9173.6-62.7-174.5158.800109.6N14 A15 H16 D267 V271 C272 N273N14-E269 HydrophobicContact CB-CB 4.12Å; N14-E269 HydrophobicContact CB-CG 4.01Å; A15-E269 VanDerWaalsContact CA-OE1 3.24Å; A15-E269 WeakPolarHBondContact CA-OE1 3.47Å; A15-E269 PolarHBondContact N-OE1 3.42Å; H16-E269 HydrophobicContact CB-CG 3.89Å; H16-E269 IonicContact CE1-OE1 3.79Å; H16-E269 IonicContact CG-OE1 3.53Å; H16-E269 PolarHBondContact N-OE1 3.37Å; H16-E269 VanDerWaalsContact ND1-CD 3.26Å; H16-E269 IonicContact ND1-OE1 2.71Å; H16-E269 PolarHBondContact ND1-OE1 3.14Å; H16-E269 IonicContact ND1-OE2 3.81Å; D267-E269 PolarHBondContact OD1-N 2.94Å; E269-V271 PolarHBondContact O-N 3.41Å; E269-C272 WeakPolarHBondContact O-CB 3.49Å; E269-C272 PolarHBondContact O-N 3.38Å; E269-N273 PolarHBondContact O-N 3.39Å; E269-N273 PolarHBondContact O-ND2 2.63Å; E269-N273 VanDerWaalsContact O-ND2 3.17Å
270N98.8Very high98.8Very high48 Ų4825.8 Ų25.826%0.25713%0.133SC..Hα-helixtrans-64.6-39.6177.5-172.846.1000112.3D267 C272 N273 W274D267-N270 HydrophobicContact CB-CB 3.96Å; D267-N270 PolarHBondContact O-N 2.97Å; D267-N270 PolarHBondContact OD1-N 2.98Å; D267-N270 VanDerWaalsContact OD1-N 3.11Å; N270-C272 PolarHBondContact O-N 3.34Å; N270-N273 PolarHBondContact O-N 2.82Å; N270-W274 WeakPolarHBondContact ND2-CH2 3.4Å; N270-W274 WeakPolarHBondContact ND2-CZ2 3.3Å; N270-W274 PolarHBondContact O-N 2.91Å
271V98.9Very high98.8Very high0 Ų026.7 Ų26.70%014%0.135CC..Hα-helixtrans-60.7-44.4172.8175.70000111.3V258 R261 L262 D267 E269 W274 V275 L292V258-V271 HydrophobicContact CG1-CG1 4.31Å; R261-V271 HydrophobicContact CB-CG1 3.91Å; R261-V271 HydrophobicContact CB-CG2 4.06Å; L262-V271 HydrophobicContact CD2-CG2 4.23Å; D267-V271 WeakPolarHBondContact O-CG2 3.43Å; D267-V271 PolarHBondContact O-N 3.13Å; E269-V271 PolarHBondContact O-N 3.41Å; V271-W274 HydrophobicContact CG2-CE3 4.26Å; V271-W274 HydrophobicContact CG2-CZ3 4.27Å; V271-W274 PolarHBondContact O-N 3.13Å; V271-V275 WeakPolarHBondContact O-CG2 3.41Å; V271-V275 PolarHBondContact O-N 3.38Å; V271-V275 VanDerWaalsContact O-N 3.12Å; V271-L292 HydrophobicContact CB-CD2 4.14Å; V271-L292 HydrophobicContact CG1-CD2 3.66Å
272C98.9Very high98.7Very high1 Ų129.3 Ų29.31%0.00715%0.147CC..Hα-helixtrans-62-42.7174.8-72.60000112.4G25 L268 E269 N270 W274 V275 V276 I290 L292G25-C272 PolarHBondContact O-SG 3.17Å; L268-C272 WeakPolarHBondContact O-CB 3.15Å; L268-C272 PolarHBondContact O-N 2.9Å; L268-C272 PolarHBondContact O-SG 2.97Å; E269-C272 WeakPolarHBondContact O-CB 3.49Å; E269-C272 PolarHBondContact O-N 3.38Å; N270-C272 PolarHBondContact O-N 3.34Å; C272-W274 VanDerWaalsContact C-N 3.33Å; C272-W274 PolarHBondContact O-N 3.42Å; C272-V275 WeakPolarHBondContact O-CB 3.5Å; C272-V275 PolarHBondContact O-N 2.96Å; C272-V275 VanDerWaalsContact O-N 3.16Å; C272-V276 WeakPolarHBondContact O-CG2 3.37Å; C272-V276 PolarHBondContact O-N 2.9Å; C272-I290 HydrophobicContact CB-CG2 3.82Å; C272-L292 VanDerWaalsContact SG-CB 3.58Å
273N98.9Very high98.7Very high27 Ų2731.4 Ų31.414%0.14417%0.169CC..Hα-helixtrans-60.5-42.7176.2-68.9-32.4000111.8K12 N14 S27 E269 N270 V275 V276 D277K12-N273 WeakPolarHBondContact CB-OD1 3.4Å; K12-N273 VanDerWaalsContact CG-OD1 3.31Å; K12-N273 WeakPolarHBondContact CG-OD1 3.48Å; N14-N273 PolarHBondContact ND2-ND2 2.81Å; N14-N273 VanDerWaalsContact ND2-ND2 3.18Å; N14-N273 PolarHBondContact ND2-OD1 3.25Å; N14-N273 PolarHBondContact OD1-OD1 3.31Å; S27-N273 WeakPolarHBondContact CB-OD1 2.91Å; S27-N273 PolarHBondContact OG-OD1 3.5Å; E269-N273 PolarHBondContact O-N 3.39Å; E269-N273 PolarHBondContact O-ND2 2.63Å; E269-N273 VanDerWaalsContact O-ND2 3.17Å; N270-N273 PolarHBondContact O-N 2.82Å; N273-V275 VanDerWaalsContact C-N 3.31Å; N273-V275 PolarHBondContact O-N 3.02Å; N273-V276 PolarHBondContact O-N 2.71Å; N273-D277 WeakPolarHBondContact O-CB 3.21Å; N273-D277 PolarHBondContact O-N 2.88Å
274W98.9Very high98.7Very high59 Ų5928.7 Ų28.722%0.22316%0.157CC..Hα-helixtrans-60.8-39175-72.4-28.4000112.4F257 R261 V264 N270 V271 C272 T278F257-W274 HydrophobicContact CE1-CB 4.42Å; F257-W274 HydrophobicContact CZ-CB 4.38Å; R261-W274 HydrophobicContact CB-CE3 3.73Å; R261-W274 HydrophobicContact CB-CZ3 3.94Å; R261-W274 VanDerWaalsContact CD-CE3 3.48Å; R261-W274 HydrophobicContact CG-CE3 3.73Å; R261-W274 HydrophobicContact CG-CZ3 4.29Å; V264-W274 HydrophobicContact CG1-CH2 4.35Å; N270-W274 WeakPolarHBondContact ND2-CH2 3.4Å; N270-W274 WeakPolarHBondContact ND2-CZ2 3.3Å; N270-W274 PolarHBondContact O-N 2.91Å; V271-W274 HydrophobicContact CG2-CE3 4.26Å; V271-W274 HydrophobicContact CG2-CZ3 4.27Å; V271-W274 PolarHBondContact O-N 3.13Å; C272-W274 VanDerWaalsContact C-N 3.33Å; C272-W274 PolarHBondContact O-N 3.42Å; W274-T278 WeakPolarHBondContact O-CB 3.48Å; W274-T278 PolarHBondContact O-N 2.89Å; W274-T278 PolarHBondContact O-OG1 3.2Å
275V98.9Very high98.7Very high0 Ų034 Ų340%017%0.174CC..Hα-helixtrans-62.7-51.5174.8171.40000111I245 L254 F257 V258 V271 C272 N273 D277 T278 C279 I290I245-V275 HydrophobicContact CD1-CG1 4.18Å; I245-V275 HydrophobicContact CG2-CG1 4.18Å; L254-V275 HydrophobicContact CD1-CB 4.35Å; L254-V275 HydrophobicContact CD1-CG1 3.54Å; L254-V275 HydrophobicContact CD1-CG2 3.86Å; F257-V275 HydrophobicContact CD1-CG2 3.96Å; F257-V275 HydrophobicContact CE1-CG2 3.99Å; V258-V275 HydrophobicContact CG2-CG2 3.74Å; V271-V275 WeakPolarHBondContact O-CG2 3.41Å; V271-V275 PolarHBondContact O-N 3.38Å; V271-V275 VanDerWaalsContact O-N 3.12Å; C272-V275 WeakPolarHBondContact O-CB 3.5Å; C272-V275 PolarHBondContact O-N 2.96Å; C272-V275 VanDerWaalsContact O-N 3.16Å; N273-V275 VanDerWaalsContact C-N 3.31Å; N273-V275 PolarHBondContact O-N 3.02Å; V275-D277 PolarHBondContact O-N 3.4Å; V275-T278 WeakPolarHBondContact O-CB 3.4Å; V275-T278 PolarHBondContact O-N 3.28Å; V275-C279 PolarHBondContact O-N 3.32Å; V275-C279 PolarHBondContact O-SG 3.21Å; V275-I290 HydrophobicContact CB-CD1 4.03Å; V275-I290 HydrophobicContact CG1-CD1 3.65Å; V275-I290 HydrophobicContact CG2-CD1 4.12Å
276V98.9Very high98.7Very high0 Ų034 Ų340%017%0.173CC..Hα-helixtrans-59.9-47.4-177.8171.70000111.2K12 M29 I245 C272 N273 T278 C279 L280 M288 I290K12-V276 HydrophobicContact CD-CG1 4.32Å; M29-V276 HydrophobicContact CB-CG1 3.56Å; M29-V276 HydrophobicContact CE-CG1 3.44Å; M29-V276 VanDerWaalsContact CE-CG1 3.44Å; M29-V276 HydrophobicContact CG-CG1 4.23Å; M29-V276 HydrophobicContact SD-CG1 3.7Å; I245-V276 HydrophobicContact CD1-CG2 4.38Å; C272-V276 WeakPolarHBondContact O-CG2 3.37Å; C272-V276 PolarHBondContact O-N 2.9Å; N273-V276 PolarHBondContact O-N 2.71Å; V276-T278 PolarHBondContact O-N 2.99Å; V276-C279 PolarHBondContact O-N 3.13Å; V276-L280 PolarHBondContact O-N 2.56Å; V276-M288 HydrophobicContact CG1-CB 4.06Å; V276-M288 HydrophobicContact CG1-SD 4.32Å; V276-M288 HydrophobicContact CG2-CB 4.49Å; V276-I290 HydrophobicContact CG2-CG2 3.73Å
277D98.9Very high98.7Very high22 Ų2229.4 Ų29.412%0.11815%0.149CC..Hα-helixtrans-63.6-43.2176.4-77.4-16.2000111.2K12 N273 V275 C279 L280 H281 N361K12-D277 VanDerWaalsContact CE-OD1 3.25Å; K12-D277 WeakPolarHBondContact CE-OD1 3.44Å; K12-D277 IonicContact NZ-OD1 2.83Å; K12-D277 PolarHBondContact NZ-OD1 2.95Å; K12-D277 IonicContact NZ-OD2 3.46Å; N273-D277 WeakPolarHBondContact O-CB 3.21Å; N273-D277 PolarHBondContact O-N 2.88Å; V275-D277 PolarHBondContact O-N 3.4Å; D277-C279 VanDerWaalsContact C-N 3.28Å; D277-C279 PolarHBondContact O-N 2.87Å; D277-L280 WeakPolarHBondContact O-CB 3.32Å; D277-L280 PolarHBondContact O-N 2.86Å; D277-H281 WeakPolarHBondContact O-CB 3.4Å; D277-H281 PolarHBondContact O-CE1 2.95Å; D277-H281 PolarHBondContact O-N 3.41Å; D277-H281 PolarHBondContact O-ND1 3.23Å; D277-N361 PolarHBondContact OD2-ND2 3.08Å
278T98.9Very high98.7Very high3 Ų325.7 Ų25.72%0.01813%0.129CC..Hα-helixtrans-58.5-42.3177.5-61.40000111.4M249 F257 W274 V275 V276 H281 K282 A357 G358M249-T278 HydrophobicContact SD-CG2 4.11Å; F257-T278 HydrophobicContact CE1-CG2 4.44Å; F257-T278 HydrophobicContact CZ-CG2 4.33Å; F257-T278 VanDerWaalsContact CZ-OG1 3.28Å; F257-T278 WeakPolarHBondContact CZ-OG1 3.26Å; W274-T278 WeakPolarHBondContact O-CB 3.48Å; W274-T278 PolarHBondContact O-N 2.89Å; W274-T278 PolarHBondContact O-OG1 3.2Å; V275-T278 WeakPolarHBondContact O-CB 3.4Å; V275-T278 PolarHBondContact O-N 3.28Å; V276-T278 PolarHBondContact O-N 2.99Å; T278-H281 PolarHBondContact O-N 2.69Å; T278-K282 HydrophobicContact CG2-CD 4.07Å; T278-K282 WeakPolarHBondContact O-CB 3.34Å; T278-K282 VanDerWaalsContact O-CG 3.3Å; T278-K282 WeakPolarHBondContact O-CG 3.31Å; T278-K282 PolarHBondContact O-N 2.78Å; T278-A357 HydrophobicContact CG2-CB 4.43Å; T278-G358 WeakPolarHBondContact OG1-CA 3.31Å
279C98.8Very high98.7Very high0 Ų025.5 Ų25.50%013%0.128CC..Hα-helixtrans-67.8-41.6178.4-65.20000112I245 V248 M249 V275 V276 D277 H281 K282 G283 S284 M288I245-C279 HydrophobicContact CD1-CB 3.77Å; V248-C279 HydrophobicContact CG2-CB 3.59Å; M249-C279 VanDerWaalsContact SD-SG 3.64Å; V275-C279 PolarHBondContact O-N 3.32Å; V275-C279 PolarHBondContact O-SG 3.21Å; V276-C279 PolarHBondContact O-N 3.13Å; D277-C279 VanDerWaalsContact C-N 3.28Å; D277-C279 PolarHBondContact O-N 2.87Å; C279-H281 VanDerWaalsContact C-N 3.31Å; C279-H281 PolarHBondContact O-N 2.79Å; C279-K282 PolarHBondContact O-N 3.42Å; C279-G283 PolarHBondContact O-N 3.13Å; C279-S284 VanDerWaalsContact O-CB 3.29Å; C279-S284 WeakPolarHBondContact O-CB 3.41Å; C279-S284 PolarHBondContact O-N 2.8Å; C279-M288 HydrophobicContact CB-SD 3.73Å
280L98.8Very high98.7Very high14 Ų1423.7 Ų23.77%0.07312%0.12CC..Hα-helixtrans-56.3-46.6171.2-177.668.6000111.2P8 T10 M29 V276 D277 K282 G283 M288P8-L280 HydrophobicContact CB-CD1 4.12Å; P8-L280 HydrophobicContact CB-CD2 4.43Å; P8-L280 HydrophobicContact CG-CD2 4.34Å; T10-L280 HydrophobicContact CG2-CD2 3.89Å; M29-L280 HydrophobicContact CE-CB 4Å; M29-L280 HydrophobicContact CE-CD1 4.17Å; M29-L280 HydrophobicContact CE-CD2 3.83Å; M29-L280 HydrophobicContact CE-CG 4.21Å; V276-L280 PolarHBondContact O-N 2.56Å; D277-L280 WeakPolarHBondContact O-CB 3.32Å; D277-L280 PolarHBondContact O-N 2.86Å; L280-K282 VanDerWaalsContact C-N 3.29Å; L280-K282 PolarHBondContact O-N 3.37Å; L280-G283 PolarHBondContact O-N 3.01Å; L280-M288 HydrophobicContact CB-CE 4.04Å; L280-M288 HydrophobicContact CD1-CE 4.03Å
281H98.3Very high98.7Very high33 Ų3321.5 Ų21.515%0.15311%0.108CC..Hα-helixtrans-70.4-23.5-179.8-63.9131.7000113.9D277 T278 C279 A357 R360 N361D277-H281 WeakPolarHBondContact O-CB 3.4Å; D277-H281 PolarHBondContact O-CE1 2.95Å; D277-H281 PolarHBondContact O-N 3.41Å; D277-H281 PolarHBondContact O-ND1 3.23Å; T278-H281 PolarHBondContact O-N 2.69Å; C279-H281 VanDerWaalsContact C-N 3.31Å; C279-H281 PolarHBondContact O-N 2.79Å; H281-A357 HydrophobicContact CB-CB 3.91Å; H281-R360 HydrophobicContact CB-CB 4.38Å; H281-R360 WeakPolarHBondContact CD2-CD 3.36Å; H281-R360 PolarHBondContact CD2-NE 3.36Å; H281-R360 VanDerWaalsContact CD2-NE 3.33Å; H281-N361 PolarHBondContact CE1-OD1 3.05Å
282K98.3Very high98.7Very high70 Ų7021.5 Ų21.530%0.30411%0.108SC..THydrogen-bonded Turntrans-79.5-1.4170.3-75.4172174.6-79.10113.3V248 M249 T278 C279 L280 G353 A357V248-K282 HydrophobicContact CB-CB 3.98Å; V248-K282 HydrophobicContact CG2-CB 4.2Å; M249-K282 HydrophobicContact CG-CD 3.71Å; M249-K282 HydrophobicContact SD-CD 4.12Å; T278-K282 HydrophobicContact CG2-CD 4.07Å; T278-K282 WeakPolarHBondContact O-CB 3.34Å; T278-K282 VanDerWaalsContact O-CG 3.3Å; T278-K282 WeakPolarHBondContact O-CG 3.31Å; T278-K282 PolarHBondContact O-N 2.78Å; C279-K282 PolarHBondContact O-N 3.42Å; L280-K282 VanDerWaalsContact C-N 3.29Å; L280-K282 PolarHBondContact O-N 3.37Å; K282-G353 WeakPolarHBondContact CE-O 3.27Å; K282-G353 PolarHBondContact NZ-O 3.01Å; K282-A357 HydrophobicContact CG-CB 3.77Å
283G97.9Very high98.7Very high47 Ų4721.5 Ų21.549%0.48511%0.108SC..THydrogen-bonded Turntrans103.69173.600000114.7C279 L280 R285C279-G283 PolarHBondContact O-N 3.13Å; L280-G283 PolarHBondContact O-N 3.01Å; G283-R285 PolarHBondContact O-N 3.48Å
284S98.5Very high98.7Very high7 Ų720.5 Ų20.55%0.04910%0.103CC..  trans-60.2128.6170.6-179.50000109.9G244 C279G244-S284 VanDerWaalsContact O-CB 3.23Å; G244-S284 WeakPolarHBondContact O-CB 3.37Å; G244-S284 PolarHBondContact O-OG 3.44Å; C279-S284 VanDerWaalsContact O-CB 3.29Å; C279-S284 WeakPolarHBondContact O-CB 3.41Å; C279-S284 PolarHBondContact O-N 2.8Å
285R98.3Very high98.7Very high138 Ų13818.1 Ų18.152%0.5219%0.094SC..  trans-112.213.9178.4-64.5-174-179.1-1750.5112.6F4 W32 G283F4-R285 HydrophobicContact CD1-CB 4.41Å; F4-R285 HydrophobicContact CE1-CB 3.78Å; F4-R285 HydrophobicContact CZ-CB 4.3Å; W32-R285 HydrophobicContact CB-CB 4.07Å; W32-R285 HydrophobicContact CG-CB 4.28Å; W32-R285 HydrophobicContact CG-CG 4.22Å; G283-R285 PolarHBondContact O-N 3.48Å
286D98.4Very high98.6Very high22 Ų2221.7 Ų21.712%0.11812%0.119CC..SBendtrans-99174.8-177.1-135.7-32.4000113.5R33 M288R33-D286 WeakPolarHBondContact CG-OD1 3.47Å; R33-D286 IonicContact CZ-OD1 3.64Å; R33-D286 IonicContact CZ-OD2 2.65Å; R33-D286 IonicContact NE-OD1 3.55Å; R33-D286 PolarHBondContact NE-OD1 3.15Å; R33-D286 IonicContact NE-OD2 3.67Å; R33-D286 IonicContact NH1-OD1 3.21Å; R33-D286 IonicContact NH2-OD1 3.98Å; R33-D286 PolarHBondContact NH2-OD1 3.23Å; R33-D286 IonicContact NH2-OD2 3.97Å; R33-D286 PolarHBondContact NH2-OD2 3.45Å; D286-M288 WeakPolarHBondContact O-CE 3.49Å
287N98.8Very high98.5Very high2 Ų225.7 Ų25.71%0.01114%0.14CC..  trans-59.7147.5154.6-63.3156.3000108.9Q30 R33 E35 M36 E37Q30-N287 PolarHBondContact O-ND2 2.93Å; R33-N287 WeakPolarHBondContact CB-ND2 3.24Å; E35-N287 PolarHBondContact O-ND2 2.89Å; E35-N287 PolarHBondContact O-OD1 3.48Å; M36-N287 HydrophobicContact SD-CB 3.86Å; E37-N287 PolarHBondContact N-OD1 3.38Å
288M98.9Very high98.5Very high0 Ų024.9 Ų24.90%014%0.137CC..EExtended strand (participates in β ladder)trans-136.2123.5-178.8-79.3170.6-87.300109.4S28 M29 G244 I245 V276 C279 L280 D286S28-M288 CarbonylContact C-O 3.56Å; S28-M288 VanDerWaalsContact CA-O 3.24Å; S28-M288 WeakPolarHBondContact CA-O 2.81Å; M29-M288 HydrophobicContact CE-CE 3.36Å; M29-M288 HydrophobicContact CE-SD 4.34Å; M29-M288 PolarHBondContact N-O 3.35Å; M29-M288 PolarHBondContact O-N 3.37Å; G244-M288 WeakPolarHBondContact O-CG 3.39Å; I245-M288 HydrophobicContact CD1-CB 3.88Å; I245-M288 HydrophobicContact CD1-CG 3.73Å; I245-M288 HydrophobicContact CD1-SD 3.97Å; I245-M288 HydrophobicContact CG1-CB 4.43Å; I245-M288 HydrophobicContact CG1-CG 4.33Å; V276-M288 HydrophobicContact CG1-CB 4.06Å; V276-M288 HydrophobicContact CG1-SD 4.32Å; V276-M288 HydrophobicContact CG2-CB 4.49Å; C279-M288 HydrophobicContact CB-SD 3.73Å; L280-M288 HydrophobicContact CB-CE 4.04Å; L280-M288 HydrophobicContact CD1-CE 4.03Å; D286-M288 WeakPolarHBondContact O-CE 3.49Å
289S98.9Very high98.5Very high2 Ų225.7 Ų25.71%0.01414%0.142CC..EExtended strand (participates in β ladder)trans-131.8135.6172.5-61.70000110.2S27 S28 D38 A241 C242S27-S289 WeakPolarHBondContact O-CA 3.32Å; S28-S289 VanDerWaalsContact CB-OG 3.25Å; S28-S289 WeakPolarHBondContact CB-OG 3.38Å; D38-S289 WeakPolarHBondContact CB-OG 3.37Å; D38-S289 VanDerWaalsContact OD2-CB 3.22Å; D38-S289 WeakPolarHBondContact OD2-CB 3.32Å; D38-S289 PolarHBondContact OD2-N 2.97Å; D38-S289 PolarHBondContact OD2-OG 3.45Å; A241-S289 WeakPolarHBondContact CA-O 3.39Å; A241-S289 VanDerWaalsContact CB-O 3.27Å; A241-S289 WeakPolarHBondContact CB-O 3.21Å; C242-S289 PolarHBondContact N-O 3.11Å; C242-S289 PolarHBondContact SG-N 3.1Å
290I98.9Very high98.4Very high3 Ų331.8 Ų31.82%0.01517%0.169CC..EExtended strand (participates in β ladder)trans-137.2138.3175.9-179.7167.5000110.5L26 S27 I239 L240 A241 C272 V275 V276L26-I290 WeakPolarHBondContact CA-O 3.45Å; L26-I290 VanDerWaalsContact CB-O 3.26Å; L26-I290 WeakPolarHBondContact CB-O 3.35Å; S27-I290 PolarHBondContact N-O 3.08Å; S27-I290 PolarHBondContact O-N 3.39Å; I239-I290 HydrophobicContact CG2-CD1 3.7Å; I239-I290 HydrophobicContact CG2-CG1 3.98Å; L240-I290 CarbonylContact O-C 3.44Å; L240-I290 VanDerWaalsContact O-CA 3.28Å; L240-I290 WeakPolarHBondContact O-CA 3.29Å; A241-I290 HydrophobicContact CB-CB 4.21Å; A241-I290 HydrophobicContact CB-CG1 4.36Å; C272-I290 HydrophobicContact CB-CG2 3.82Å; V275-I290 HydrophobicContact CB-CD1 4.03Å; V275-I290 HydrophobicContact CG1-CD1 3.65Å; V275-I290 HydrophobicContact CG2-CD1 4.12Å; V276-I290 HydrophobicContact CG2-CG2 3.73Å
291V99Very high98.4Very high1 Ų134.1 Ų34.11%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-117.9124.1165.9-177.40000108.3L26 F56 V58 I239 L240 V293L26-V291 HydrophobicContact CB-CB 4.3Å; L26-V291 HydrophobicContact CB-CG1 4.42Å; L26-V291 HydrophobicContact CB-CG2 3.86Å; L26-V291 HydrophobicContact CD2-CG2 4.3Å; F56-V291 HydrophobicContact CB-CG1 4.26Å; F56-V291 HydrophobicContact CD1-CG1 3.97Å; F56-V291 HydrophobicContact CG-CG1 4.38Å; V58-V291 HydrophobicContact CG2-CG2 3.81Å; I239-V291 WeakPolarHBondContact CA-O 3.49Å; L240-V291 HydrophobicContact CB-CB 4.34Å; L240-V291 HydrophobicContact CD1-CB 4.07Å; L240-V291 HydrophobicContact CD1-CG1 4.24Å; L240-V291 PolarHBondContact N-O 3.04Å; L240-V291 PolarHBondContact O-N 3.23Å; V291-V293 HydrophobicContact CG1-CG2 3.99Å
292L98.9Very high98.4Very high1 Ų134.8 Ų34.81%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-107.1118.4173.9175.760.1000109.2Y24 G25 F237 I239 V258 L262 L268 V271 C272Y24-L292 CarbonylContact C-O 3.48Å; Y24-L292 WeakPolarHBondContact CA-O 3.42Å; Y24-L292 WeakPolarHBondContact CB-O 3.4Å; G25-L292 PolarHBondContact N-O 3.39Å; G25-L292 PolarHBondContact O-N 2.86Å; F237-L292 HydrophobicContact CB-CD1 3.96Å; F237-L292 HydrophobicContact CD2-CD1 4.04Å; F237-L292 HydrophobicContact CG-CD1 4.16Å; I239-L292 HydrophobicContact CG1-CD1 3.93Å; V258-L292 HydrophobicContact CG1-CD1 3.79Å; V258-L292 HydrophobicContact CG1-CD2 4Å; L262-L292 HydrophobicContact CD2-CD2 4.28Å; L268-L292 HydrophobicContact CD2-CD2 4.06Å; V271-L292 HydrophobicContact CB-CD2 4.14Å; V271-L292 HydrophobicContact CG1-CD2 3.66Å; C272-L292 VanDerWaalsContact SG-CB 3.58Å
293V98.9Very high98.4Very high0 Ų038.4 Ų38.40%021%0.214CC..EExtended strand (participates in β ladder)trans-112.4114.5177.2-173.50000108.9L22 R23 F56 I139 F237 I238 L240 V291L22-V293 HydrophobicContact CB-CG1 4.42Å; L22-V293 HydrophobicContact CD1-CG1 4.34Å; R23-V293 CarbonylContact O-C 3.52Å; F56-V293 HydrophobicContact CB-CG2 4.31Å; F56-V293 HydrophobicContact CD1-CG2 4.05Å; F56-V293 HydrophobicContact CD2-CG1 4.37Å; F56-V293 HydrophobicContact CD2-CG2 3.66Å; F56-V293 HydrophobicContact CE1-CG2 4.28Å; F56-V293 HydrophobicContact CE2-CG1 3.92Å; F56-V293 HydrophobicContact CE2-CG2 3.9Å; F56-V293 HydrophobicContact CG-CG2 3.73Å; F56-V293 HydrophobicContact CZ-CG1 4.34Å; F56-V293 HydrophobicContact CZ-CG2 4.19Å; I139-V293 HydrophobicContact CD1-CG1 4.2Å; F237-V293 CarbonylContact C-O 3.58Å; F237-V293 WeakPolarHBondContact CA-O 3.38Å; F237-V293 WeakPolarHBondContact CB-O 3.42Å; I238-V293 HydrophobicContact CB-CB 4.37Å; I238-V293 PolarHBondContact N-O 3.4Å; I238-V293 PolarHBondContact O-N 3.06Å; L240-V293 HydrophobicContact CD1-CG2 4.28Å; V291-V293 HydrophobicContact CG1-CG2 3.99Å
294C98.9Very high98.4Very high6 Ų641.9 Ų41.94%0.04122%0.218CC..EExtended strand (participates in β ladder)trans-98.7132.8178.5-68.70000111.5L22 R23 L268 A298L22-C294 WeakPolarHBondContact CA-O 3.37Å; R23-C294 PolarHBondContact N-O 3.41Å; R23-C294 PolarHBondContact O-N 3.04Å; L268-C294 HydrophobicContact CD1-CB 4.29Å; C294-A298 HydrophobicContact CB-CB 3.73Å
295F98.8Very high98.4Very high9 Ų942.3 Ų42.34%0.03922%0.222CC..  trans-85.2176.4168.4-64.6-84000111.1L22 I139 I144 L156 D235 E236 I238 N297 A298L22-F295 HydrophobicContact CD2-CD1 3.41Å; L22-F295 VanDerWaalsContact CD2-CD1 3.41Å; L22-F295 HydrophobicContact CD2-CE1 3.56Å; L22-F295 HydrophobicContact CD2-CG 4.27Å; I139-F295 HydrophobicContact CD1-CZ 4.44Å; I144-F295 HydrophobicContact CD1-CE1 4.4Å; I144-F295 HydrophobicContact CD1-CE2 4.35Å; I144-F295 HydrophobicContact CD1-CZ 3.66Å; I144-F295 HydrophobicContact CG1-CZ 4.16Å; L156-F295 HydrophobicContact CD1-CE2 4.2Å; D235-F295 HydrophobicContact CB-CB 4.26Å; D235-F295 HydrophobicContact CB-CD1 4.24Å; D235-F295 HydrophobicContact CB-CD2 3.69Å; D235-F295 HydrophobicContact CB-CE2 4.01Å; D235-F295 HydrophobicContact CB-CG 3.81Å; D235-F295 HydrophobicContact CB-CZ 4.44Å; D235-F295 VanDerWaalsContact O-CB 3.3Å; D235-F295 WeakPolarHBondContact O-CB 3.3Å; E236-F295 PolarHBondContact O-N 2.79Å; I238-F295 HydrophobicContact CD1-CE2 3.72Å; I238-F295 HydrophobicContact CD1-CZ 3.69Å; I238-F295 HydrophobicContact CG1-CE2 3.89Å; I238-F295 HydrophobicContact CG1-CZ 4.39Å; F295-N297 PolarHBondContact O-N 3.38Å; F295-A298 WeakPolarHBondContact O-CB 3.45Å; F295-A298 PolarHBondContact O-N 2.87Å
296S97.1Very high98.4Very high75 Ų7538.4 Ų38.452%0.52421%0.213SC..THydrogen-bonded Turntrans-55.4-37.8178.645.60000113K300S296-K300 WeakPolarHBondContact O-CE 3.4Å; S296-K300 PolarHBondContact O-NZ 2.62Å
297N96.9Very high98.4Very high84 Ų8443.5 Ų43.545%0.44923%0.234SC..THydrogen-bonded Turntrans-92.79.3-177-74.2-13.1000114.5E233 F295E233-N297 WeakPolarHBondContact O-CB 3.4Å; E233-N297 PolarHBondContact O-ND2 3.45Å; F295-N297 PolarHBondContact O-N 3.38Å
298A98.3Very high98.4Very high5 Ų548.1 Ų48.14%0.04125%0.254CS..SBendtrans-50.2145.7169.100000111.7E236 C294 F295 K300E236-A298 VanDerWaalsContact O-CB 3.25Å; E236-A298 WeakPolarHBondContact O-CB 3.22Å; C294-A298 HydrophobicContact CB-CB 3.73Å; F295-A298 WeakPolarHBondContact O-CB 3.45Å; F295-A298 PolarHBondContact O-N 2.87Å; A298-K300 WeakPolarHBondContact O-CD 3.15Å; A298-K300 VanDerWaalsContact O-CE 3.27Å; A298-K300 WeakPolarHBondContact O-CE 3.32Å; A298-K300 PolarHBondContact O-N 3.45Å; A298-K300 PolarHBondContact O-NZ 2.75Å
299P98.3Very high98.3Very high21 Ų2149 Ų4914%0.13626%0.259CS..  trans-46.5138.7175.2-27.833.2000111.7E236 F237 K259 L262 E263E236-P299 WeakPolarHBondContact OE2-CD 3.42Å; E236-P299 WeakPolarHBondContact OE2-CG 3.2Å; F237-P299 HydrophobicContact CE1-CG 4.39Å; K259-P299 HydrophobicContact CB-CG 4.47Å; K259-P299 HydrophobicContact CG-CB 4.49Å; K259-P299 HydrophobicContact CG-CG 3.95Å; L262-P299 HydrophobicContact CB-CB 4.06Å; L262-P299 HydrophobicContact CD1-CG 4.49Å; E263-P299 HydrophobicContact CG-CB 4.18Å
300K98.1Very high98.3Very high128 Ų12851.3 Ų51.356%0.55728%0.275SS*.  trans-104.3154.3179.6-54.9-55.3178.3-149.60109.6S296 A298 S302S296-K300 WeakPolarHBondContact O-CE 3.4Å; S296-K300 PolarHBondContact O-NZ 2.62Å; A298-K300 WeakPolarHBondContact O-CD 3.15Å; A298-K300 VanDerWaalsContact O-CE 3.27Å; A298-K300 WeakPolarHBondContact O-CE 3.32Å; A298-K300 PolarHBondContact O-N 3.45Å; A298-K300 PolarHBondContact O-NZ 2.75Å; K300-S302 PolarHBondContact O-N 2.81Å
301V98.6Very high98.3Very high63 Ų6356 Ų5638%0.38230%0.297SS..  trans-54.3130.4172.6-177.90000109.5E263 D266 V306E263-V301 CarbonylContact O-C 3.44Å; E263-V301 WeakPolarHBondContact O-CA 3.12Å; D266-V301 HydrophobicContact CB-CG2 3.96Å; V301-V306 HydrophobicContact CG1-CG2 3.65Å
302S98.4Very high98.2Very high47 Ų4756.5 Ų56.533%0.32930%0.299SS..  trans-117.8125.1-179.7169.40000109.4E263 K300 E304 A305 V306E263-S302 PolarHBondContact O-N 2.85Å; K300-S302 PolarHBondContact O-N 2.81Å; S302-E304 PolarHBondContact O-N 3.47Å; S302-E304 VanDerWaalsContact O-N 3.13Å; S302-E304 PolarHBondContact OG-N 2.87Å; S302-A305 PolarHBondContact O-N 3.16Å; S302-V306 WeakPolarHBondContact O-CG2 3.31Å; S302-V306 PolarHBondContact O-N 3.48Å
303D98.3Very high98.2Very high146 Ų14658.2 Ų58.278%0.78131%0.308SS*.Hα-helixtrans-55.4-33.5177.2-68.6-21.8000112.1K307D303-K307 VanDerWaalsContact O-CB 3.24Å; D303-K307 WeakPolarHBondContact O-CB 3.31Å; D303-K307 PolarHBondContact O-N 3.26Å
304E98.1Very high98.1Very high120 Ų12064 Ų6456%0.56133%0.334SS*.Hα-helixtrans-69.6-42.9176.6-171.9-178.6167.600111.8S302 K307 K308S302-E304 PolarHBondContact O-N 3.47Å; S302-E304 VanDerWaalsContact O-N 3.13Å; S302-E304 PolarHBondContact OG-N 2.87Å; E304-K307 PolarHBondContact O-N 3.38Å; E304-K308 HydrophobicContact CG-CD 4.36Å; E304-K308 WeakPolarHBondContact O-CB 3.44Å; E304-K308 WeakPolarHBondContact O-CG 3.33Å; E304-K308 PolarHBondContact O-N 3.36Å; E304-K308 WeakPolarHBondContact OE1-CE 3.37Å; E304-K308 IonicContact OE1-NZ 2.6Å; E304-K308 PolarHBondContact OE1-NZ 2.86Å
305A98.2Very high98.1Very high15 Ų1567.6 Ų67.612%0.12435%0.35CS..Hα-helixtrans-67.4-43.7178.600000111.3E263 V264 S302 K307 K308 D309E263-A305 HydrophobicContact CB-CB 3.8Å; V264-A305 HydrophobicContact CG2-CB 4.32Å; S302-A305 PolarHBondContact O-N 3.16Å; A305-K307 VanDerWaalsContact C-N 3.33Å; A305-K307 PolarHBondContact O-N 3.03Å; A305-K308 PolarHBondContact O-N 2.85Å; A305-D309 WeakPolarHBondContact O-CB 3.3Å; A305-D309 PolarHBondContact O-N 3.5Å
306V98.4Very high98.1Very high56 Ų5667.1 Ų67.134%0.33935%0.348SS..Hα-helixtrans-58-46.1174.2173.50000110.9V264 V301 S302 D309 S310V264-V306 HydrophobicContact CG1-CG2 4.46Å; V301-V306 HydrophobicContact CG1-CG2 3.65Å; S302-V306 WeakPolarHBondContact O-CG2 3.31Å; S302-V306 PolarHBondContact O-N 3.48Å; V306-D309 PolarHBondContact O-N 2.85Å; V306-S310 WeakPolarHBondContact O-CB 3.45Å; V306-S310 PolarHBondContact O-N 3.16Å
307K98.2Very high98.1Very high130 Ų13066.6 Ų66.657%0.56534%0.337SS*.Hα-helixtrans-62.7-46.2177.7-177.8176.8171.2-177.30111.7D303 E304 A305 S310 E311D303-K307 VanDerWaalsContact O-CB 3.24Å; D303-K307 WeakPolarHBondContact O-CB 3.31Å; D303-K307 PolarHBondContact O-N 3.26Å; E304-K307 PolarHBondContact O-N 3.38Å; A305-K307 VanDerWaalsContact C-N 3.33Å; A305-K307 PolarHBondContact O-N 3.03Å; K307-S310 PolarHBondContact O-N 3.12Å; K307-E311 WeakPolarHBondContact CE-OE1 3.37Å; K307-E311 HydrophobicContact CG-CG 4.49Å; K307-E311 IonicContact NZ-OE1 3.92Å; K307-E311 WeakPolarHBondContact O-CB 3.34Å; K307-E311 WeakPolarHBondContact O-CG 3.11Å; K307-E311 PolarHBondContact O-N 2.93Å
308K97.9Very high98.1Very high99 Ų9965.4 Ų65.443%0.4334%0.335SS..Hα-helixtrans-61.6-42.5177.8-76.7176.2-175.8167.80112.3E304 A305 E311 L312E304-K308 HydrophobicContact CG-CD 4.36Å; E304-K308 WeakPolarHBondContact O-CB 3.44Å; E304-K308 WeakPolarHBondContact O-CG 3.33Å; E304-K308 PolarHBondContact O-N 3.36Å; E304-K308 WeakPolarHBondContact OE1-CE 3.37Å; E304-K308 IonicContact OE1-NZ 2.6Å; E304-K308 PolarHBondContact OE1-NZ 2.86Å; A305-K308 PolarHBondContact O-N 2.85Å; K308-E311 PolarHBondContact O-N 2.93Å; K308-L312 WeakPolarHBondContact O-CB 3.42Å; K308-L312 PolarHBondContact O-N 3.47Å
309D97.9Very high98Very high19 Ų1966.8 Ų66.810%0.10234%0.339CS..Hα-helixtrans-66.3-39.9178.7-160.976.7000111R261 V264 A305 V306 L312 D313 K359R261-D309 IonicContact CZ-OD1 3.23Å; R261-D309 IonicContact NH1-OD1 2.75Å; R261-D309 PolarHBondContact NH1-OD1 2.94Å; R261-D309 IonicContact NH1-OD2 2.96Å; R261-D309 IonicContact NH2-OD1 2.62Å; R261-D309 PolarHBondContact NH2-OD1 3.47Å; V264-D309 HydrophobicContact CG1-CB 4.35Å; V264-D309 HydrophobicContact CG2-CB 3.94Å; A305-D309 WeakPolarHBondContact O-CB 3.3Å; A305-D309 PolarHBondContact O-N 3.5Å; V306-D309 PolarHBondContact O-N 2.85Å; D309-L312 PolarHBondContact O-N 2.83Å; D309-D313 PolarHBondContact O-N 3.19Å; D309-K359 VanDerWaalsContact CG-NZ 3.34Å; D309-K359 IonicContact OD1-NZ 3.63Å; D309-K359 PolarHBondContact OD1-NZ 3.38Å; D309-K359 VanDerWaalsContact OD1-NZ 3.16Å; D309-K359 IonicContact OD2-NZ 2.88Å; D309-K359 PolarHBondContact OD2-NZ 3.43Å
310S97.9Very high97.9Very high49 Ų4965.8 Ų65.834%0.34333%0.333SS..Hα-helixtrans-67.3-36.7174.5-176.80000113.6V306 K307 D313 K314V306-S310 WeakPolarHBondContact O-CB 3.45Å; V306-S310 PolarHBondContact O-N 3.16Å; K307-S310 PolarHBondContact O-N 3.12Å; S310-D313 PolarHBondContact O-N 2.84Å; S310-K314 WeakPolarHBondContact O-CG 3.26Å; S310-K314 PolarHBondContact O-N 2.83Å; S310-K314 VanDerWaalsContact O-N 3.09Å
311E98.3Very high97.8Very high102 Ų10262.9 Ų62.948%0.47732%0.321SS..Hα-helixtrans-66.8-40.1174.1-76.2173.917600111.4K307 K308 H315K307-E311 WeakPolarHBondContact CE-OE1 3.37Å; K307-E311 HydrophobicContact CG-CG 4.49Å; K307-E311 IonicContact NZ-OE1 3.92Å; K307-E311 WeakPolarHBondContact O-CB 3.34Å; K307-E311 WeakPolarHBondContact O-CG 3.11Å; K307-E311 PolarHBondContact O-N 2.93Å; K308-E311 PolarHBondContact O-N 2.93Å; E311-H315 WeakPolarHBondContact O-CB 3.25Å; E311-H315 PolarHBondContact O-N 2.83Å
312L98.1Very high97.6Very high11 Ų1163.7 Ų63.76%0.05832%0.32CS..Hα-helixtrans-62.5-43.8172.8174.864.5000111.4K308 D309 H315 L316 I347 N349 L350 K359K308-L312 WeakPolarHBondContact O-CB 3.42Å; K308-L312 PolarHBondContact O-N 3.47Å; D309-L312 PolarHBondContact O-N 2.83Å; L312-H315 WeakPolarHBondContact O-CB 3.42Å; L312-H315 PolarHBondContact O-N 3.34Å; L312-L316 HydrophobicContact CD1-CD1 4.24Å; L312-L316 HydrophobicContact CD1-CG 4.21Å; L312-L316 HydrophobicContact CG-CD1 4.13Å; L312-L316 HydrophobicContact CG-CG 4.5Å; L312-L316 WeakPolarHBondContact O-CG 3.31Å; L312-L316 PolarHBondContact O-N 3.06Å; L312-I347 HydrophobicContact CD1-CG2 3.82Å; L312-N349 WeakPolarHBondContact CD2-O 3.22Å; L312-L350 HydrophobicContact CD1-CD2 4.37Å; L312-L350 HydrophobicContact CD2-CD2 4.32Å; L312-K359 HydrophobicContact CD2-CD 4.11Å; L312-K359 HydrophobicContact CD2-CG 4.15Å
313D98.2Very high97.4Very high37 Ų3761.8 Ų61.820%0.19831%0.307CS..Hα-helixtrans-56-56.8176.3-76.3-15.3000110.4D309 S310 H315 L316 E317 K359 V362D309-D313 PolarHBondContact O-N 3.19Å; S310-D313 PolarHBondContact O-N 2.84Å; D313-H315 PolarHBondContact O-N 2.98Å; D313-L316 CarbonylContact O-C 3.58Å; D313-L316 WeakPolarHBondContact O-CA 3.13Å; D313-L316 WeakPolarHBondContact O-CB 3.28Å; D313-L316 PolarHBondContact O-N 3.16Å; D313-E317 VanDerWaalsContact O-CG 3.28Å; D313-E317 WeakPolarHBondContact O-CG 3.44Å; D313-E317 PolarHBondContact O-N 2.98Å; D313-K359 WeakPolarHBondContact OD1-CE 3.22Å; D313-K359 IonicContact OD1-NZ 3.14Å; D313-K359 PolarHBondContact OD1-NZ 3.46Å; D313-K359 IonicContact OD2-NZ 3.61Å; D313-V362 HydrophobicContact CB-CG1 4.18Å
314K98.1Very high97Very high123 Ų12355.2 Ų55.254%0.53527%0.271SS..Hα-helixtrans-54.6-39.7178.1-71.7172-177.1168.50112.6S310 E317 S318S310-K314 WeakPolarHBondContact O-CG 3.26Å; S310-K314 PolarHBondContact O-N 2.83Å; S310-K314 VanDerWaalsContact O-N 3.09Å; K314-E317 PolarHBondContact O-N 3.48Å; K314-S318 PolarHBondContact O-N 2.81Å; K314-S318 PolarHBondContact O-OG 2.86Å
315H98Very high96.6Very high80 Ų8056.9 Ų56.937%0.3728%0.279SS..Hα-helixtrans-61.2-49.4175.6179.265000111.3E311 L312 D313 E317 S318 R319E311-H315 WeakPolarHBondContact O-CB 3.25Å; E311-H315 PolarHBondContact O-N 2.83Å; L312-H315 WeakPolarHBondContact O-CB 3.42Å; L312-H315 PolarHBondContact O-N 3.34Å; D313-H315 PolarHBondContact O-N 2.98Å; H315-E317 PolarHBondContact O-N 3.02Å; H315-S318 PolarHBondContact O-N 2.92Å; H315-R319 VanDerWaalsContact O-CG 3.32Å; H315-R319 WeakPolarHBondContact O-CG 3.37Å; H315-R319 PolarHBondContact O-N 3.02Å
316L97.9Very high96Very high0 Ų063.1 Ų63.10%030%0.303CS..Hα-helixtrans-61.5-42.1176.7-68.7171.7000111.9L312 D313 S318 R319 V320 I347 L356 K359 I363L312-L316 HydrophobicContact CD1-CD1 4.24Å; L312-L316 HydrophobicContact CD1-CG 4.21Å; L312-L316 HydrophobicContact CG-CD1 4.13Å; L312-L316 HydrophobicContact CG-CG 4.5Å; L312-L316 WeakPolarHBondContact O-CG 3.31Å; L312-L316 PolarHBondContact O-N 3.06Å; D313-L316 CarbonylContact O-C 3.58Å; D313-L316 WeakPolarHBondContact O-CA 3.13Å; D313-L316 WeakPolarHBondContact O-CB 3.28Å; D313-L316 PolarHBondContact O-N 3.16Å; L316-S318 PolarHBondContact O-N 2.88Å; L316-R319 PolarHBondContact O-N 2.67Å; L316-V320 VanDerWaalsContact O-CG2 3.28Å; L316-V320 WeakPolarHBondContact O-CG2 3.42Å; L316-V320 PolarHBondContact O-N 3.26Å; L316-I347 HydrophobicContact CD2-CD1 3.81Å; L316-I347 HydrophobicContact CD2-CG2 4.3Å; L316-L356 HydrophobicContact CD2-CD1 4.21Å; L316-K359 HydrophobicContact CD1-CB 3.56Å; L316-K359 HydrophobicContact CD1-CG 3.94Å; L316-I363 HydrophobicContact CB-CG1 4.39Å; L316-I363 HydrophobicContact CD1-CD1 4.47Å; L316-I363 HydrophobicContact CD1-CG1 4.42Å; L316-I363 HydrophobicContact CD2-CD1 4.38Å
317E97.6Very high94.8Very high64 Ų6461.6 Ų61.630%0.29930%0.296SS..Hα-helixtrans-57.1-50.9176.1-58.1-167.1137.900110.9D313 K314 H315 R319 V320 E321 V362 V366D313-E317 VanDerWaalsContact O-CG 3.28Å; D313-E317 WeakPolarHBondContact O-CG 3.44Å; D313-E317 PolarHBondContact O-N 2.98Å; K314-E317 PolarHBondContact O-N 3.48Å; H315-E317 PolarHBondContact O-N 3.02Å; E317-R319 PolarHBondContact O-N 3.15Å; E317-V320 PolarHBondContact O-N 2.83Å; E317-E321 WeakPolarHBondContact O-CG 3.1Å; E317-E321 PolarHBondContact O-N 2.76Å; E317-V362 HydrophobicContact CG-CG1 4.44Å; E317-V366 HydrophobicContact CB-CG2 3.91Å; E317-V366 HydrophobicContact CG-CG2 3.59Å
318S97.1Very high93Very high58 Ų5858 Ų5841%0.40630%0.295SS..Hα-helixtrans-63.2-38.3177.5-62.10000112.6K314 H315 L316 E321 E322K314-S318 PolarHBondContact O-N 2.81Å; K314-S318 PolarHBondContact O-OG 2.86Å; H315-S318 PolarHBondContact O-N 2.92Å; L316-S318 PolarHBondContact O-N 2.88Å; S318-E321 PolarHBondContact O-N 3.23Å; S318-E322 WeakPolarHBondContact O-CG 3.01Å; S318-E322 PolarHBondContact O-N 3.08Å
319R96.8Very high91.2Very high35 Ų3562.3 Ų62.313%0.13232%0.317CS..Hα-helixtrans-63.3-42.9175.8-70.5-53.6-55.5122.86.6111.6H315 L316 E317 E322 I323 L342 E345H315-R319 VanDerWaalsContact O-CG 3.32Å; H315-R319 WeakPolarHBondContact O-CG 3.37Å; H315-R319 PolarHBondContact O-N 3.02Å; L316-R319 PolarHBondContact O-N 2.67Å; E317-R319 PolarHBondContact O-N 3.15Å; R319-E322 IonicContact CZ-OE2 2.68Å; R319-E322 IonicContact NH1-OE1 3.99Å; R319-E322 PolarHBondContact NH1-OE1 3.1Å; R319-E322 IonicContact NH1-OE2 2.68Å; R319-E322 PolarHBondContact NH1-OE2 2.68Å; R319-E322 PolarHBondContact O-N 3.18Å; R319-I323 WeakPolarHBondContact O-CD1 3.22Å; R319-I323 VanDerWaalsContact O-CG1 3.23Å; R319-I323 WeakPolarHBondContact O-CG1 3.33Å; R319-I323 PolarHBondContact O-N 2.81Å; R319-L342 HydrophobicContact CB-CD2 3.75Å; R319-L342 HydrophobicContact CG-CD2 4.45Å; R319-E345 IonicContact CZ-OE1 2.99Å; R319-E345 IonicContact CZ-OE2 3.66Å; R319-E345 IonicContact NE-OE1 3.66Å; R319-E345 IonicContact NE-OE2 3.47Å; R319-E345 PolarHBondContact NE-OE2 2.72Å; R319-E345 IonicContact NH2-OE1 2.67Å; R319-E345 PolarHBondContact NH2-OE1 3.39Å; R319-E345 IonicContact NH2-OE2 2.83Å
320V96.3Very high89.6Confident0 Ų070.6 Ų70.60%036%0.355CS..Hα-helixtrans-62.8-45.4176.8174.10000110.5L316 E317 E322 I323 M324 V338 L342 I363 V366 L370L316-V320 VanDerWaalsContact O-CG2 3.28Å; L316-V320 WeakPolarHBondContact O-CG2 3.42Å; L316-V320 PolarHBondContact O-N 3.26Å; E317-V320 PolarHBondContact O-N 2.83Å; V320-E322 PolarHBondContact O-N 2.81Å; V320-I323 PolarHBondContact O-N 3.2Å; V320-M324 HydrophobicContact CG1-CG 4.23Å; V320-M324 WeakPolarHBondContact O-CB 3.47Å; V320-M324 WeakPolarHBondContact O-CG 3.2Å; V320-M324 PolarHBondContact O-N 2.86Å; V320-V338 HydrophobicContact CG1-CG1 4.45Å; V320-V338 HydrophobicContact CG2-CG1 4.18Å; V320-L342 HydrophobicContact CG2-CD1 4.06Å; V320-I363 HydrophobicContact CG2-CB 4.43Å; V320-I363 HydrophobicContact CG2-CG1 4.48Å; V320-I363 HydrophobicContact CG2-CG2 3.79Å; V320-V366 HydrophobicContact CB-CG1 4.03Å; V320-V366 HydrophobicContact CG1-CB 4.24Å; V320-V366 HydrophobicContact CG1-CG1 3.77Å; V320-L370 HydrophobicContact CG1-CD1 4.26Å
321E95.2Very high88.5Confident67 Ų6770.5 Ų70.531%0.31336%0.361SS..Hα-helixtrans-56.1-49175.6-74.6170.6-179.300111.5E317 S318 I323 M324 E325 V366 R369 L370E317-E321 WeakPolarHBondContact O-CG 3.1Å; E317-E321 PolarHBondContact O-N 2.76Å; S318-E321 PolarHBondContact O-N 3.23Å; E321-I323 PolarHBondContact O-N 2.67Å; E321-M324 PolarHBondContact O-N 3.22Å; E321-E325 WeakPolarHBondContact O-CG 3.42Å; E321-E325 PolarHBondContact O-N 2.83Å; E321-V366 HydrophobicContact CG-CG1 4.33Å; E321-R369 IonicContact OE1-NH2 3.17Å; E321-R369 PolarHBondContact OE1-NH2 3.33Å; E321-R369 VanDerWaalsContact OE1-NH2 3.17Å; E321-L370 HydrophobicContact CB-CD1 4.42Å; E321-L370 HydrophobicContact CG-CD1 3.72Å; E321-L370 HydrophobicContact CG-CD2 4.4Å
322E94.6Very high87.7Confident79 Ų7970.2 Ų70.237%0.36936%0.361SS..Hα-helixtrans-62.6-38.8177.7-77.2-173.6-130.100114S318 R319 V320 K326S318-E322 WeakPolarHBondContact O-CG 3.01Å; S318-E322 PolarHBondContact O-N 3.08Å; R319-E322 IonicContact CZ-OE2 2.68Å; R319-E322 IonicContact NH1-OE1 3.99Å; R319-E322 PolarHBondContact NH1-OE1 3.1Å; R319-E322 IonicContact NH1-OE2 2.68Å; R319-E322 PolarHBondContact NH1-OE2 2.68Å; R319-E322 PolarHBondContact O-N 3.18Å; V320-E322 PolarHBondContact O-N 2.81Å; E322-K326 WeakPolarHBondContact O-CG 3.48Å; E322-K326 PolarHBondContact O-N 2.85Å; E322-K326 VanDerWaalsContact O-N 3.13Å; E322-K326 IonicContact OE2-NZ 2.69Å
323I93.6Very high87.3Confident8 Ų870.2 Ų70.24%0.04136%0.362CS..Hα-helixtrans-64.5-46.2176.9-70164.2000109.5R319 V320 E321 E325 K326 S327 P333 V338 I341 L342R319-I323 WeakPolarHBondContact O-CD1 3.22Å; R319-I323 VanDerWaalsContact O-CG1 3.23Å; R319-I323 WeakPolarHBondContact O-CG1 3.33Å; R319-I323 PolarHBondContact O-N 2.81Å; V320-I323 PolarHBondContact O-N 3.2Å; E321-I323 PolarHBondContact O-N 2.67Å; I323-E325 PolarHBondContact O-N 3.36Å; I323-K326 PolarHBondContact O-N 2.57Å; I323-S327 PolarHBondContact O-N 3.05Å; I323-S327 PolarHBondContact O-OG 3.1Å; I323-P333 HydrophobicContact CG2-CG 4.41Å; I323-V338 HydrophobicContact CD1-CG1 4.36Å; I323-V338 HydrophobicContact CG2-CG2 4.06Å; I323-I341 HydrophobicContact CD1-CB 4.1Å; I323-I341 HydrophobicContact CD1-CG2 3.64Å; I323-I341 HydrophobicContact CG1-CG2 4.04Å; I323-I341 HydrophobicContact CG2-CD1 3.73Å; I323-L342 HydrophobicContact CD1-CD2 3.81Å; I323-L342 HydrophobicContact CD1-CG 3.98Å
324M90.4Very high87Confident8 Ų871.6 Ų71.64%0.03937%0.369CS..Hα-helixtrans-66-36.7-179.1-66.9-63.6-71.800112.3V320 E321 M332 P333 V338 Y367 L370 N371V320-M324 HydrophobicContact CG1-CG 4.23Å; V320-M324 WeakPolarHBondContact O-CB 3.47Å; V320-M324 WeakPolarHBondContact O-CG 3.2Å; V320-M324 PolarHBondContact O-N 2.86Å; E321-M324 PolarHBondContact O-N 3.22Å; M324-M332 HydrophobicContact CE-CE 4.15Å; M324-M332 HydrophobicContact CE-CG 4.38Å; M324-M332 HydrophobicContact CE-SD 3.54Å; M324-M332 VanDerWaalsContact CE-SD 3.54Å; M324-P333 HydrophobicContact SD-CG 3.75Å; M324-V338 HydrophobicContact SD-CG2 4.01Å; M324-Y367 HydrophobicContact CE-CD2 4.1Å; M324-Y367 HydrophobicContact CE-CE2 3.77Å; M324-Y367 HydrophobicContact SD-CD2 3.76Å; M324-Y367 HydrophobicContact SD-CE2 3.6Å; M324-L370 HydrophobicContact CB-CD1 4.22Å; M324-L370 HydrophobicContact CG-CD1 4.03Å; M324-N371 HydrophobicContact CE-CB 3.97Å
325E89.6Confident86.8Confident154 Ų15466.8 Ų66.872%0.7235%0.349SS*.Hα-helixtrans-67.3-46.9175.9-76.2-178.5175.700112.6E321 I323 S327 G328E321-E325 WeakPolarHBondContact O-CG 3.42Å; E321-E325 PolarHBondContact O-N 2.83Å; I323-E325 PolarHBondContact O-N 3.36Å; E325-S327 VanDerWaalsContact C-N 3.3Å; E325-S327 PolarHBondContact O-N 3.01Å; E325-G328 PolarHBondContact O-N 2.91Å; E325-G328 VanDerWaalsContact O-N 3.15Å
326K85.2Confident86.5Confident146 Ų14665.6 Ų65.664%0.63535%0.353SS*.Hα-helixtrans-64.7-34-178.2-75.1174.5-175165.60112.9E322 I323 G328E322-K326 WeakPolarHBondContact O-CG 3.48Å; E322-K326 PolarHBondContact O-N 2.85Å; E322-K326 VanDerWaalsContact O-N 3.13Å; E322-K326 IonicContact OE2-NZ 2.69Å; I323-K326 PolarHBondContact O-N 2.57Å; K326-G328 VanDerWaalsContact C-N 3.26Å; K326-G328 PolarHBondContact O-N 3.21Å
327S73.8Confident86.3Confident25 Ų2569 Ų6918%0.17537%0.369CS..G310 helixtrans-79.4-6.4178.5-62.10000113.7I323 E325 E329 E330 G331 P333I323-S327 PolarHBondContact O-N 3.05Å; I323-S327 PolarHBondContact O-OG 3.1Å; E325-S327 VanDerWaalsContact C-N 3.3Å; E325-S327 PolarHBondContact O-N 3.01Å; S327-E329 PolarHBondContact O-N 2.82Å; S327-E329 VanDerWaalsContact O-N 3.09Å; S327-E330 PolarHBondContact O-N 3.08Å; S327-E330 VanDerWaalsContact O-N 3.11Å; S327-G331 CarbonylContact O-C 3.46Å; S327-G331 PolarHBondContact O-N 3.31Å; S327-G331 VanDerWaalsContact O-O 3.05Å; S327-P333 VanDerWaalsContact CB-CD 3.45Å
328G61.1Low86.2Confident53 Ų5366 Ų6655%0.54636%0.355SS..G310 helixtrans-58.7-20.8177.600000114.7E325 K326E325-G328 PolarHBondContact O-N 2.91Å; E325-G328 VanDerWaalsContact O-N 3.15Å; K326-G328 VanDerWaalsContact C-N 3.26Å; K326-G328 PolarHBondContact O-N 3.21Å
329E60Low86.2Confident191 Ų19164.5 Ų64.589%0.89334%0.342SS*.G310 helixtrans-86.5-23.5177.5-63.3-173.1169.400113.8S327S327-E329 PolarHBondContact O-N 2.82Å; S327-E329 VanDerWaalsContact O-N 3.09Å
330E64.1Low86.1Confident193 Ų19369.1 Ų69.190%0.90236%0.359SS*.THydrogen-bonded Turntrans-114-5.5-177.1-68.6-174.7164.700113.9S327S327-E330 PolarHBondContact O-N 3.08Å; S327-E330 VanDerWaalsContact O-N 3.11Å
331G75.4Confident86.1Confident46 Ų4671.6 Ų71.647%0.47437%0.372SS..  trans114.4141.2-178.700000112.2S327S327-G331 CarbonylContact O-C 3.46Å; S327-G331 PolarHBondContact O-N 3.31Å; S327-G331 VanDerWaalsContact O-O 3.05Å
332M81.4Confident86.2Confident96 Ų9668.4 Ų68.447%0.47336%0.357SS..PPolyproline II helixtrans-65.7128.7-175.1-84.4-151.5169.900112.7M324 N371M324-M332 HydrophobicContact CE-CE 4.15Å; M324-M332 HydrophobicContact CE-CG 4.38Å; M324-M332 HydrophobicContact CE-SD 3.54Å; M324-M332 VanDerWaalsContact CE-SD 3.54Å; M332-N371 HydrophobicContact SD-CB 4.29Å
333P89.3Confident86.1Confident12 Ų1268.3 Ų68.38%0.07837%0.365CS..PPolyproline II helixtrans-70.9151.1-178.129.2-31.8000110.4I323 M324 S327 H337 V338 Y367 R374I323-P333 HydrophobicContact CG2-CG 4.41Å; M324-P333 HydrophobicContact SD-CG 3.75Å; S327-P333 VanDerWaalsContact CB-CD 3.45Å; P333-H337 HydrophobicContact CB-CB 4Å; P333-V338 HydrophobicContact CB-CG2 4.24Å; P333-V338 HydrophobicContact CG-CG2 3.89Å; P333-Y367 WeakPolarHBondContact O-CE2 3.28Å; P333-Y367 PolarHBondContact O-OH 2.85Å; P333-R374 PolarHBondContact O-NH1 3.13Å
334D91.6Very high86.2Confident65 Ų6572.2 Ų72.235%0.34840%0.398SS..PPolyproline II helixtrans-73.1164164.150.946.2000112.1A336 H337 V338 Y367 R374D334-A336 PolarHBondContact O-N 3.32Å; D334-A336 PolarHBondContact OD1-N 3.44Å; D334-H337 WeakPolarHBondContact O-CB 3.47Å; D334-H337 PolarHBondContact O-N 3.28Å; D334-H337 VanDerWaalsContact O-N 3.1Å; D334-H337 WeakPolarHBondContact OD1-CB 3.12Å; D334-H337 PolarHBondContact OD1-N 3.32Å; D334-V338 PolarHBondContact O-N 2.83Å; D334-Y367 WeakPolarHBondContact CA-OH 3.45Å; D334-R374 VanDerWaalsContact N-NH1 3.2Å; D334-R374 IonicContact OD2-NH2 3.61Å
335L93.4Very high86.4Confident23 Ų2374.7 Ų74.712%0.1241%0.41CS..Hα-helixtrans-57.2-36.6177.1-178.962000111.6H337 V338 M339 I363 E364 Y367L335-H337 VanDerWaalsContact C-N 3.32Å; L335-H337 PolarHBondContact O-N 2.88Å; L335-V338 PolarHBondContact O-N 3.38Å; L335-M339 HydrophobicContact CD1-CG 4.27Å; L335-M339 HydrophobicContact CG-CG 4.33Å; L335-M339 WeakPolarHBondContact O-CB 3.31Å; L335-M339 VanDerWaalsContact O-CG 3.24Å; L335-M339 WeakPolarHBondContact O-CG 3.29Å; L335-M339 PolarHBondContact O-N 3.17Å; L335-I363 HydrophobicContact CD1-CG2 4.15Å; L335-E364 HydrophobicContact CD2-CB 4.07Å; L335-E364 HydrophobicContact CD2-CG 3.77Å; L335-Y367 HydrophobicContact CB-CD1 4.14Å; L335-Y367 HydrophobicContact CB-CE1 4.11Å; L335-Y367 HydrophobicContact CB-CG 4.39Å; L335-Y367 HydrophobicContact CD1-CD1 4.28Å; L335-Y367 HydrophobicContact CD1-CD2 4.27Å; L335-Y367 HydrophobicContact CD1-CG 3.89Å
336A92.8Very high86.5Confident55 Ų5575.1 Ų75.146%0.45542%0.417SS..Hα-helixtrans-61.9-41.3177.200000111.6D334 M339 R340D334-A336 PolarHBondContact O-N 3.32Å; D334-A336 PolarHBondContact OD1-N 3.44Å; A336-M339 PolarHBondContact O-N 3.03Å; A336-R340 WeakPolarHBondContact O-CB 3.47Å; A336-R340 PolarHBondContact O-N 3.48Å
337H93.2Very high87Confident72 Ų7268.7 Ų68.733%0.33339%0.39SS..Hα-helixtrans-66.8-42.7175.2-167.6107.4000111.9P333 D334 L335 R340 I341P333-H337 HydrophobicContact CB-CB 4Å; D334-H337 WeakPolarHBondContact O-CB 3.47Å; D334-H337 PolarHBondContact O-N 3.28Å; D334-H337 VanDerWaalsContact O-N 3.1Å; D334-H337 WeakPolarHBondContact OD1-CB 3.12Å; D334-H337 PolarHBondContact OD1-N 3.32Å; L335-H337 VanDerWaalsContact C-N 3.32Å; L335-H337 PolarHBondContact O-N 2.88Å; H337-R340 PolarHBondContact CE1-NH1 3Å; H337-R340 PolarHBondContact ND1-NH1 3.23Å; H337-R340 WeakPolarHBondContact O-CB 3.28Å; H337-R340 PolarHBondContact O-N 3.12Å; H337-I341 VanDerWaalsContact CD2-CD1 3.5Å; H337-I341 WeakPolarHBondContact CD2-CD1 3.36Å; H337-I341 WeakPolarHBondContact O-CG1 3.31Å; H337-I341 PolarHBondContact O-N 2.95Å
338V95.5Very high87.8Confident0 Ų071.2 Ų71.20%041%0.405CS..Hα-helixtrans-59.5-48174.1175.20000110.8V320 I323 M324 P333 D334 L335 R340 I341 L342 I363 Y367V320-V338 HydrophobicContact CG1-CG1 4.45Å; V320-V338 HydrophobicContact CG2-CG1 4.18Å; I323-V338 HydrophobicContact CD1-CG1 4.36Å; I323-V338 HydrophobicContact CG2-CG2 4.06Å; M324-V338 HydrophobicContact SD-CG2 4.01Å; P333-V338 HydrophobicContact CB-CG2 4.24Å; P333-V338 HydrophobicContact CG-CG2 3.89Å; D334-V338 PolarHBondContact O-N 2.83Å; L335-V338 PolarHBondContact O-N 3.38Å; V338-R340 VanDerWaalsContact C-N 3.29Å; V338-R340 PolarHBondContact O-N 3.17Å; V338-I341 PolarHBondContact O-N 3.06Å; V338-L342 HydrophobicContact CG1-CD1 4.08Å; V338-L342 WeakPolarHBondContact O-CG 3.24Å; V338-L342 PolarHBondContact O-N 2.8Å; V338-I363 HydrophobicContact CG1-CG2 4.39Å; V338-Y367 HydrophobicContact CG2-CD2 3.97Å; V338-Y367 HydrophobicContact CG2-CE2 3.98Å
339M96.5Very high89.4Confident27 Ų2774.7 Ų74.713%0.13341%0.411CS..Hα-helixtrans-59.9-39.2176.5-70.3-62.6-62.400111.8L335 A336 L342 S343 L356 R360 I363L335-M339 HydrophobicContact CD1-CG 4.27Å; L335-M339 HydrophobicContact CG-CG 4.33Å; L335-M339 WeakPolarHBondContact O-CB 3.31Å; L335-M339 VanDerWaalsContact O-CG 3.24Å; L335-M339 WeakPolarHBondContact O-CG 3.29Å; L335-M339 PolarHBondContact O-N 3.17Å; A336-M339 PolarHBondContact O-N 3.03Å; M339-L342 PolarHBondContact O-N 2.8Å; M339-S343 VanDerWaalsContact O-CB 3.3Å; M339-S343 WeakPolarHBondContact O-CB 3.42Å; M339-S343 PolarHBondContact O-N 2.68Å; M339-S343 PolarHBondContact O-OG 2.62Å; M339-L356 HydrophobicContact CE-CD2 3.8Å; M339-L356 HydrophobicContact CE-CG 3.84Å; M339-R360 HydrophobicContact CE-CB 4.21Å; M339-R360 HydrophobicContact CE-CG 4.27Å; M339-R360 HydrophobicContact SD-CG 4.36Å; M339-I363 HydrophobicContact CE-CD1 4.22Å; M339-I363 HydrophobicContact SD-CB 4.19Å; M339-I363 HydrophobicContact SD-CD1 3.74Å; M339-I363 HydrophobicContact SD-CG2 3.67Å
340R95.1Very high91.2Very high132 Ų13268 Ų6850%0.49838%0.381SS..Hα-helixtrans-62.8-44.6176.7-161-173.2-40.7101.26.8111.9A336 H337 V338 S343 A344A336-R340 WeakPolarHBondContact O-CB 3.47Å; A336-R340 PolarHBondContact O-N 3.48Å; H337-R340 PolarHBondContact CE1-NH1 3Å; H337-R340 PolarHBondContact ND1-NH1 3.23Å; H337-R340 WeakPolarHBondContact O-CB 3.28Å; H337-R340 PolarHBondContact O-N 3.12Å; V338-R340 VanDerWaalsContact C-N 3.29Å; V338-R340 PolarHBondContact O-N 3.17Å; R340-S343 WeakPolarHBondContact CA-OG 3.32Å; R340-S343 PolarHBondContact O-N 3.15Å; R340-S343 PolarHBondContact O-OG 3.1Å; R340-A344 PolarHBondContact O-N 3.15Å; R340-A344 VanDerWaalsContact O-N 3.15Å
341I95.6Very high92.8Very high51 Ų5159 Ų5926%0.26234%0.339SS..Hα-helixtrans-60.3-52.2175.9-67.1170.2000109.9I323 H337 V338 S343 A344 E345I323-I341 HydrophobicContact CD1-CB 4.1Å; I323-I341 HydrophobicContact CD1-CG2 3.64Å; I323-I341 HydrophobicContact CG1-CG2 4.04Å; I323-I341 HydrophobicContact CG2-CD1 3.73Å; H337-I341 VanDerWaalsContact CD2-CD1 3.5Å; H337-I341 WeakPolarHBondContact CD2-CD1 3.36Å; H337-I341 WeakPolarHBondContact O-CG1 3.31Å; H337-I341 PolarHBondContact O-N 2.95Å; V338-I341 PolarHBondContact O-N 3.06Å; I341-S343 VanDerWaalsContact C-N 3.26Å; I341-S343 PolarHBondContact O-N 2.94Å; I341-A344 WeakPolarHBondContact O-CB 3.37Å; I341-A344 PolarHBondContact O-N 2.88Å; I341-E345 PolarHBondContact O-N 2.79Å
342L96.9Very high93.9Very high1 Ų159.7 Ų59.71%0.00534%0.336CS..Hα-helixtrans-59.8-36.4179.6-68.1173.2000112.3R319 V320 I323 V338 M339 A344 E345 I347 L356 I363R319-L342 HydrophobicContact CB-CD2 3.75Å; R319-L342 HydrophobicContact CG-CD2 4.45Å; V320-L342 HydrophobicContact CG2-CD1 4.06Å; I323-L342 HydrophobicContact CD1-CD2 3.81Å; I323-L342 HydrophobicContact CD1-CG 3.98Å; V338-L342 HydrophobicContact CG1-CD1 4.08Å; V338-L342 WeakPolarHBondContact O-CG 3.24Å; V338-L342 PolarHBondContact O-N 2.8Å; M339-L342 PolarHBondContact O-N 2.8Å; L342-A344 VanDerWaalsContact C-N 3.28Å; L342-A344 PolarHBondContact O-N 3.35Å; L342-E345 PolarHBondContact O-N 3.21Å; L342-I347 HydrophobicContact CB-CD1 4.11Å; L342-I347 HydrophobicContact CD2-CD1 4.06Å; L342-I347 WeakPolarHBondContact O-CD1 3.47Å; L342-L356 HydrophobicContact CB-CD1 4.38Å; L342-L356 HydrophobicContact CB-CD2 3.78Å; L342-I363 HydrophobicContact CD1-CD1 3.75Å; L342-I363 HydrophobicContact CD1-CG1 4.02Å; L342-I363 HydrophobicContact CD1-CG2 3.9Å
343S94.5Very high94.6Very high77 Ų7756.1 Ų56.154%0.53832%0.324SS..Hα-helixtrans-69-25.2177.774.90000113.7M339 R340 I341M339-S343 VanDerWaalsContact O-CB 3.3Å; M339-S343 WeakPolarHBondContact O-CB 3.42Å; M339-S343 PolarHBondContact O-N 2.68Å; M339-S343 PolarHBondContact O-OG 2.62Å; R340-S343 WeakPolarHBondContact CA-OG 3.32Å; R340-S343 PolarHBondContact O-N 3.15Å; R340-S343 PolarHBondContact O-OG 3.1Å; I341-S343 VanDerWaalsContact C-N 3.26Å; I341-S343 PolarHBondContact O-N 2.94Å
344A94.6Very high94.9Very high89 Ų8955.6 Ų55.674%0.73632%0.321SS*.Hα-helixtrans-82.8-15.4174.500000112.4R340 I341 L342R340-A344 PolarHBondContact O-N 3.15Å; R340-A344 VanDerWaalsContact O-N 3.15Å; I341-A344 WeakPolarHBondContact O-CB 3.37Å; I341-A344 PolarHBondContact O-N 2.88Å; L342-A344 VanDerWaalsContact C-N 3.28Å; L342-A344 PolarHBondContact O-N 3.35Å
345E94.7Very high95.2Very high60 Ų6053.7 Ų53.728%0.2832%0.316SS..SBendtrans-82.5141174.3-66.4180-164.800110.6R319 I341 L342 I347R319-E345 IonicContact CZ-OE1 2.99Å; R319-E345 IonicContact CZ-OE2 3.66Å; R319-E345 IonicContact NE-OE1 3.66Å; R319-E345 IonicContact NE-OE2 3.47Å; R319-E345 PolarHBondContact NE-OE2 2.72Å; R319-E345 IonicContact NH2-OE1 2.67Å; R319-E345 PolarHBondContact NH2-OE1 3.39Å; R319-E345 IonicContact NH2-OE2 2.83Å; I341-E345 PolarHBondContact O-N 2.79Å; L342-E345 PolarHBondContact O-N 3.21Å; E345-I347 VanDerWaalsContact C-N 3.29Å; E345-I347 HydrophobicContact CB-CD1 4.37Å; E345-I347 HydrophobicContact CB-CG1 3.97Å; E345-I347 PolarHBondContact O-N 2.83Å
346N92Very high95.4Very high164 Ų16453.7 Ų53.788%0.87732%0.316SS*.  trans-82.475.7174.1-17330.6000110.2P348N346-P348 WeakPolarHBondContact O-CD 3.42Å
347I94.9Very high95.7Very high11 Ų1152 Ų526%0.05630%0.302CS..  trans-77.6114.5-178.7-59.4168.7000109.2L312 L316 L342 E345 L350 L356L312-I347 HydrophobicContact CD1-CG2 3.82Å; L316-I347 HydrophobicContact CD2-CD1 3.81Å; L316-I347 HydrophobicContact CD2-CG2 4.3Å; L342-I347 HydrophobicContact CB-CD1 4.11Å; L342-I347 HydrophobicContact CD2-CD1 4.06Å; L342-I347 WeakPolarHBondContact O-CD1 3.47Å; E345-I347 VanDerWaalsContact C-N 3.29Å; E345-I347 HydrophobicContact CB-CD1 4.37Å; E345-I347 HydrophobicContact CB-CG1 3.97Å; E345-I347 PolarHBondContact O-N 2.83Å; I347-L350 HydrophobicContact CB-CD1 4.32Å; I347-L350 HydrophobicContact CB-CG 4.37Å; I347-L350 HydrophobicContact CG2-CD2 4.14Å; I347-L350 HydrophobicContact CG2-CG 4.19Å; I347-L356 HydrophobicContact CD1-CD1 4.16Å
348P91.7Very high95.8Very high77 Ų7749.2 Ų49.250%0.529%0.293SS..THydrogen-bonded Turntrans-73.7160.2-178.832.1-35.5000111.7N346 L350N346-P348 WeakPolarHBondContact O-CD 3.42Å; P348-L350 VanDerWaalsContact C-N 3.25Å; P348-L350 PolarHBondContact O-N 2.77Å
349N93.8Very high96Very high126 Ų12649.5 Ų49.567%0.67429%0.294SS*.THydrogen-bonded Turntrans63.718.4171.8-49.3-48.8000116.1L312L312-N349 WeakPolarHBondContact CD2-O 3.22Å
350L97.9Very high96Very high50 Ų5052 Ų5226%0.26230%0.302SS..PPolyproline II helixtrans-55.5147.2168.8-70.3172.7000110.8L312 I347 P348 L356 K359L312-L350 HydrophobicContact CD1-CD2 4.37Å; L312-L350 HydrophobicContact CD2-CD2 4.32Å; I347-L350 HydrophobicContact CB-CD1 4.32Å; I347-L350 HydrophobicContact CB-CG 4.37Å; I347-L350 HydrophobicContact CG2-CD2 4.14Å; I347-L350 HydrophobicContact CG2-CG 4.19Å; P348-L350 VanDerWaalsContact C-N 3.25Å; P348-L350 PolarHBondContact O-N 2.77Å; L350-L356 HydrophobicContact CD1-CB 4.36Å; L350-L356 HydrophobicContact CD2-CD1 4.11Å; L350-K359 HydrophobicContact CD2-CG 4.24Å
351P97.8Very high96.1Very high4 Ų449 Ų493%0.02630%0.296CS..PPolyproline II helixtrans-55.8130.5179.4-24.633.5000111.4F257 G354 G355 K359F257-P351 HydrophobicContact CD2-CB 3.75Å; F257-P351 HydrophobicContact CE2-CB 3.63Å; F257-P351 HydrophobicContact CE2-CG 4.33Å; P351-G354 PolarHBondContact O-N 3.19Å; P351-G355 PolarHBondContact O-N 3.47Å; P351-K359 HydrophobicContact CG-CD 3.73Å; P351-K359 HydrophobicContact CG-CG 4.1Å
352P98.1Very high96.1Very high61 Ų6148.2 Ų48.240%0.39629%0.293SS..THydrogen-bonded Turntrans-60.6141.1178.327.7-35.5000110.2E256 F257 G354E256-P352 HydrophobicContact CB-CB 4.02Å; E256-P352 HydrophobicContact CB-CG 4.13Å; F257-P352 VanDerWaalsContact CA-O 3.23Å; F257-P352 WeakPolarHBondContact CA-O 3.41Å; F257-P352 VanDerWaalsContact CB-O 3.25Å; F257-P352 WeakPolarHBondContact CB-O 3.15Å; F257-P352 PolarHBondContact N-O 2.96Å; P352-G354 PolarHBondContact O-N 2.72Å
353G96.8Very high96.2Very high22 Ų2248.1 Ų48.123%0.22729%0.293CS..THydrogen-bonded Turntrans72.4-45.9-173.900000114.3K282K282-G353 WeakPolarHBondContact CE-O 3.27Å; K282-G353 PolarHBondContact NZ-O 3.01Å
354G96.5Very high96.3Very high1 Ų147.8 Ų47.81%0.0128%0.283CS..THydrogen-bonded Turntrans-71.5-38179.900000114P351 P352 A357 G358P351-G354 PolarHBondContact O-N 3.19Å; P352-G354 PolarHBondContact O-N 2.72Å; G354-A357 PolarHBondContact O-N 2.88Å; G354-G358 PolarHBondContact O-N 3.08Å
355G97.7Very high96.3Very high24 Ų2446.6 Ų46.625%0.24727%0.273CS..THydrogen-bonded Turntrans57.3-147.2-176.900000112.4P351 A357 G358P351-G355 PolarHBondContact O-N 3.47Å; G355-A357 VanDerWaalsContact C-N 3.29Å; G355-A357 PolarHBondContact O-N 3.45Å; G355-G358 PolarHBondContact O-N 3.22Å
356L97.6Very high96.4Very high24 Ų2443.8 Ų43.813%0.12626%0.26CS..THydrogen-bonded Turntrans-66.2-31.4178.8-167.667.4000112.4L316 M339 L342 I347 L350 G358 K359 R360 I363L316-L356 HydrophobicContact CD2-CD1 4.21Å; M339-L356 HydrophobicContact CE-CD2 3.8Å; M339-L356 HydrophobicContact CE-CG 3.84Å; L342-L356 HydrophobicContact CB-CD1 4.38Å; L342-L356 HydrophobicContact CB-CD2 3.78Å; I347-L356 HydrophobicContact CD1-CD1 4.16Å; L350-L356 HydrophobicContact CD1-CB 4.36Å; L350-L356 HydrophobicContact CD2-CD1 4.11Å; L356-G358 PolarHBondContact O-N 3.45Å; L356-K359 CarbonylContact O-C 3.53Å; L356-K359 PolarHBondContact O-N 3.2Å; L356-R360 PolarHBondContact O-N 2.81Å; L356-I363 HydrophobicContact CD1-CD1 3.73Å; L356-I363 HydrophobicContact CG-CD1 4.14Å
357A97.8Very high96.5Very high18 Ų1836.6 Ų36.615%0.14922%0.221CC..G310 helixtrans-59-36.4176.100000111.9T278 H281 K282 G354 G355 K359 R360T278-A357 HydrophobicContact CG2-CB 4.43Å; H281-A357 HydrophobicContact CB-CB 3.91Å; K282-A357 HydrophobicContact CG-CB 3.77Å; G354-A357 PolarHBondContact O-N 2.88Å; G355-A357 VanDerWaalsContact C-N 3.29Å; G355-A357 PolarHBondContact O-N 3.45Å; A357-K359 PolarHBondContact O-N 2.86Å; A357-K359 VanDerWaalsContact O-N 3.16Å; A357-R360 WeakPolarHBondContact O-CB 3.36Å; A357-R360 PolarHBondContact O-N 3.25Å
358G96.9Very high96.4Very high14 Ų1438.4 Ų38.414%0.14423%0.234CC..G310 helixtrans-67-9.717500000115.1T278 G354 G355 L356T278-G358 WeakPolarHBondContact OG1-CA 3.31Å; G354-G358 PolarHBondContact O-N 3.08Å; G355-G358 PolarHBondContact O-N 3.22Å; L356-G358 PolarHBondContact O-N 3.45Å
359K98.1Very high96.5Very high6 Ų641.3 Ų41.33%0.02624%0.235CC..G310 helixtrans-1177.1175.9-54.3-60.7-67.8-175.80112.9D309 L312 D313 L316 L350 P351 L356 A357 N361 V362 I363D309-K359 VanDerWaalsContact CG-NZ 3.34Å; D309-K359 IonicContact OD1-NZ 3.63Å; D309-K359 PolarHBondContact OD1-NZ 3.38Å; D309-K359 VanDerWaalsContact OD1-NZ 3.16Å; D309-K359 IonicContact OD2-NZ 2.88Å; D309-K359 PolarHBondContact OD2-NZ 3.43Å; L312-K359 HydrophobicContact CD2-CD 4.11Å; L312-K359 HydrophobicContact CD2-CG 4.15Å; D313-K359 WeakPolarHBondContact OD1-CE 3.22Å; D313-K359 IonicContact OD1-NZ 3.14Å; D313-K359 PolarHBondContact OD1-NZ 3.46Å; D313-K359 IonicContact OD2-NZ 3.61Å; L316-K359 HydrophobicContact CD1-CB 3.56Å; L316-K359 HydrophobicContact CD1-CG 3.94Å; L350-K359 HydrophobicContact CD2-CG 4.24Å; P351-K359 HydrophobicContact CG-CD 3.73Å; P351-K359 HydrophobicContact CG-CG 4.1Å; L356-K359 CarbonylContact O-C 3.53Å; L356-K359 PolarHBondContact O-N 3.2Å; A357-K359 PolarHBondContact O-N 2.86Å; A357-K359 VanDerWaalsContact O-N 3.16Å; K359-N361 VanDerWaalsContact C-N 3.33Å; K359-N361 PolarHBondContact O-N 3.49Å; K359-V362 WeakPolarHBondContact O-CB 3.45Å; K359-V362 PolarHBondContact O-N 2.96Å; K359-V362 VanDerWaalsContact O-N 3.09Å; K359-I363 PolarHBondContact O-N 3.05Å
360R97.6Very high96.4Very high79 Ų7938.2 Ų38.230%0.29822%0.219SC..Hα-helixtrans-59.5-38.9-176.8177.1157.2164.5-178.26.4113.3H281 M339 L356 A357 V362 I363 E364H281-R360 HydrophobicContact CB-CB 4.38Å; H281-R360 WeakPolarHBondContact CD2-CD 3.36Å; H281-R360 PolarHBondContact CD2-NE 3.36Å; H281-R360 VanDerWaalsContact CD2-NE 3.33Å; M339-R360 HydrophobicContact CE-CB 4.21Å; M339-R360 HydrophobicContact CE-CG 4.27Å; M339-R360 HydrophobicContact SD-CG 4.36Å; L356-R360 PolarHBondContact O-N 2.81Å; A357-R360 WeakPolarHBondContact O-CB 3.36Å; A357-R360 PolarHBondContact O-N 3.25Å; R360-V362 VanDerWaalsContact C-N 3.26Å; R360-V362 PolarHBondContact O-N 2.92Å; R360-I363 PolarHBondContact O-N 3.43Å; R360-I363 VanDerWaalsContact O-N 3.17Å; R360-E364 VanDerWaalsContact O-CB 3.3Å; R360-E364 WeakPolarHBondContact O-CB 3.4Å; R360-E364 PolarHBondContact O-N 3.28Å
361N96.3Very high95.9Very high69 Ų6937.1 Ų37.137%0.36921%0.213SC..Hα-helixtrans-59-36.8176.4-73.2-10.2000112.8D277 H281 K359 A365D277-N361 PolarHBondContact OD2-ND2 3.08Å; H281-N361 PolarHBondContact CE1-OD1 3.05Å; K359-N361 VanDerWaalsContact C-N 3.33Å; K359-N361 PolarHBondContact O-N 3.49Å; N361-A365 VanDerWaalsContact O-CB 3.3Å; N361-A365 WeakPolarHBondContact O-CB 3.32Å; N361-A365 PolarHBondContact O-N 3.28Å
362V96.9Very high95.1Very high35 Ų3540.8 Ų40.821%0.21224%0.237CC..Hα-helixtrans-67.8-46.8177178.10000110.1D313 E317 K359 R360 E364 A365 V366D313-V362 HydrophobicContact CB-CG1 4.18Å; E317-V362 HydrophobicContact CG-CG1 4.44Å; K359-V362 WeakPolarHBondContact O-CB 3.45Å; K359-V362 PolarHBondContact O-N 2.96Å; K359-V362 VanDerWaalsContact O-N 3.09Å; R360-V362 VanDerWaalsContact C-N 3.26Å; R360-V362 PolarHBondContact O-N 2.92Å; V362-E364 PolarHBondContact O-N 2.91Å; V362-A365 PolarHBondContact O-N 3.33Å; V362-V366 PolarHBondContact O-N 3.03Å
363I97.8Very high93.9Very high0 Ų044.9 Ų44.90%025%0.25CS..Hα-helixtrans-61.3-46.1178.5-65.7161.1000110.8L316 V320 L335 V338 M339 L342 L356 K359 R360 V366 Y367L316-I363 HydrophobicContact CB-CG1 4.39Å; L316-I363 HydrophobicContact CD1-CD1 4.47Å; L316-I363 HydrophobicContact CD1-CG1 4.42Å; L316-I363 HydrophobicContact CD2-CD1 4.38Å; V320-I363 HydrophobicContact CG2-CB 4.43Å; V320-I363 HydrophobicContact CG2-CG1 4.48Å; V320-I363 HydrophobicContact CG2-CG2 3.79Å; L335-I363 HydrophobicContact CD1-CG2 4.15Å; V338-I363 HydrophobicContact CG1-CG2 4.39Å; M339-I363 HydrophobicContact CE-CD1 4.22Å; M339-I363 HydrophobicContact SD-CB 4.19Å; M339-I363 HydrophobicContact SD-CD1 3.74Å; M339-I363 HydrophobicContact SD-CG2 3.67Å; L342-I363 HydrophobicContact CD1-CD1 3.75Å; L342-I363 HydrophobicContact CD1-CG1 4.02Å; L342-I363 HydrophobicContact CD1-CG2 3.9Å; L356-I363 HydrophobicContact CD1-CD1 3.73Å; L356-I363 HydrophobicContact CG-CD1 4.14Å; K359-I363 PolarHBondContact O-N 3.05Å; R360-I363 PolarHBondContact O-N 3.43Å; R360-I363 VanDerWaalsContact O-N 3.17Å; I363-V366 PolarHBondContact O-N 3.29Å; I363-Y367 WeakPolarHBondContact O-CB 3.37Å; I363-Y367 PolarHBondContact O-N 2.9Å
364E96.1Very high92.3Very high70 Ų7049.1 Ų49.133%0.32726%0.259SS..Hα-helixtrans-66.7-39.2-179.4-176.3162.4-17500112.1L335 R360 V362 V366 Y367 S368L335-E364 HydrophobicContact CD2-CB 4.07Å; L335-E364 HydrophobicContact CD2-CG 3.77Å; R360-E364 VanDerWaalsContact O-CB 3.3Å; R360-E364 WeakPolarHBondContact O-CB 3.4Å; R360-E364 PolarHBondContact O-N 3.28Å; V362-E364 PolarHBondContact O-N 2.91Å; E364-V366 VanDerWaalsContact C-N 3.33Å; E364-V366 PolarHBondContact O-N 3.09Å; E364-Y367 PolarHBondContact O-N 3.22Å; E364-S368 WeakPolarHBondContact O-CB 3.44Å; E364-S368 PolarHBondContact O-N 3.42Å; E364-S368 PolarHBondContact O-OG 3.32Å; E364-S368 VanDerWaalsContact O-OG 3.11Å
365A95.4Very high90.1Very high64 Ų6457.4 Ų57.453%0.52930%0.298SS..Hα-helixtrans-60-42.5175.300000112.2N361 V362 R369N361-A365 VanDerWaalsContact O-CB 3.3Å; N361-A365 WeakPolarHBondContact O-CB 3.32Å; N361-A365 PolarHBondContact O-N 3.28Å; V362-A365 PolarHBondContact O-N 3.33Å; A365-R369 WeakPolarHBondContact O-CB 3.45Å; A365-R369 PolarHBondContact O-N 2.84Å; A365-R369 VanDerWaalsContact O-N 3.14Å
366V96Very high87.5Confident1 Ų160.9 Ų60.91%0.00632%0.318CS..Hα-helixtrans-69.5-44.9175.3178.30000111.3E317 V320 E321 V362 I363 E364 S368 R369 L370E317-V366 HydrophobicContact CB-CG2 3.91Å; E317-V366 HydrophobicContact CG-CG2 3.59Å; V320-V366 HydrophobicContact CB-CG1 4.03Å; V320-V366 HydrophobicContact CG1-CB 4.24Å; V320-V366 HydrophobicContact CG1-CG1 3.77Å; E321-V366 HydrophobicContact CG-CG1 4.33Å; V362-V366 PolarHBondContact O-N 3.03Å; I363-V366 PolarHBondContact O-N 3.29Å; E364-V366 VanDerWaalsContact C-N 3.33Å; E364-V366 PolarHBondContact O-N 3.09Å; V366-S368 VanDerWaalsContact C-N 3.33Å; V366-S368 PolarHBondContact O-N 3.3Å; V366-R369 WeakPolarHBondContact O-CB 3.37Å; V366-R369 PolarHBondContact O-N 2.93Å; V366-L370 HydrophobicContact CG1-CD1 3.81Å; V366-L370 HydrophobicContact CG1-CG 4.31Å; V366-L370 WeakPolarHBondContact O-CG 3Å; V366-L370 PolarHBondContact O-N 2.92Å
367Y95.1Very high84.5Confident13 Ų1366.3 Ų66.35%0.05135%0.347CS..Hα-helixtrans-55.1-49177.4179.6-91.3000111.5M324 P333 D334 L335 V338 I363 E364 R369 L370 N371 R374M324-Y367 HydrophobicContact CE-CD2 4.1Å; M324-Y367 HydrophobicContact CE-CE2 3.77Å; M324-Y367 HydrophobicContact SD-CD2 3.76Å; M324-Y367 HydrophobicContact SD-CE2 3.6Å; P333-Y367 WeakPolarHBondContact O-CE2 3.28Å; P333-Y367 PolarHBondContact O-OH 2.85Å; D334-Y367 WeakPolarHBondContact CA-OH 3.45Å; L335-Y367 HydrophobicContact CB-CD1 4.14Å; L335-Y367 HydrophobicContact CB-CE1 4.11Å; L335-Y367 HydrophobicContact CB-CG 4.39Å; L335-Y367 HydrophobicContact CD1-CD1 4.28Å; L335-Y367 HydrophobicContact CD1-CD2 4.27Å; L335-Y367 HydrophobicContact CD1-CG 3.89Å; V338-Y367 HydrophobicContact CG2-CD2 3.97Å; V338-Y367 HydrophobicContact CG2-CE2 3.98Å; I363-Y367 WeakPolarHBondContact O-CB 3.37Å; I363-Y367 PolarHBondContact O-N 2.9Å; E364-Y367 PolarHBondContact O-N 3.22Å; Y367-R369 VanDerWaalsContact C-N 3.33Å; Y367-R369 PolarHBondContact O-N 3.39Å; Y367-L370 PolarHBondContact O-N 3.47Å; Y367-N371 HydrophobicContact CE1-CB 4.33Å; Y367-N371 PolarHBondContact O-N 2.98Å; Y367-N371 PolarHBondContact OH-ND2 3.32Å; Y367-N371 VanDerWaalsContact OH-ND2 3.08Å; Y367-R374 PolarHBondContact OH-NH1 3.36Å
368S93.4Very high82Confident49 Ų4969.5 Ų69.534%0.34338%0.383SS..Hα-helixtrans-65.5-34.3179.3-64.70000112.7E364 V366 L370 N371 P372E364-S368 WeakPolarHBondContact O-CB 3.44Å; E364-S368 PolarHBondContact O-N 3.42Å; E364-S368 PolarHBondContact O-OG 3.32Å; E364-S368 VanDerWaalsContact O-OG 3.11Å; V366-S368 VanDerWaalsContact C-N 3.33Å; V366-S368 PolarHBondContact O-N 3.3Å; S368-L370 VanDerWaalsContact C-N 3.34Å; S368-N371 CarbonylContact O-C 3.41Å; S368-P372 WeakPolarHBondContact O-CA 3.39Å
369R94Very high78.9Confident137 Ų13772.1 Ų72.152%0.51741%0.41SS..Hα-helixtrans-63.8-39.3173-179177.870.1-150.76.1112E321 A365 V366 Y367E321-R369 IonicContact OE1-NH2 3.17Å; E321-R369 PolarHBondContact OE1-NH2 3.33Å; E321-R369 VanDerWaalsContact OE1-NH2 3.17Å; A365-R369 WeakPolarHBondContact O-CB 3.45Å; A365-R369 PolarHBondContact O-N 2.84Å; A365-R369 VanDerWaalsContact O-N 3.14Å; V366-R369 WeakPolarHBondContact O-CB 3.37Å; V366-R369 PolarHBondContact O-N 2.93Å; Y367-R369 VanDerWaalsContact C-N 3.33Å; Y367-R369 PolarHBondContact O-N 3.39Å
370L91.1Very high76.4Confident62 Ų6277.4 Ų77.433%0.32545%0.454SS..Hα-helixtrans-83.1-22.6-179.3-62.9173.1000113.2V320 E321 M324 V366 Y367 S368V320-L370 HydrophobicContact CG1-CD1 4.26Å; E321-L370 HydrophobicContact CB-CD1 4.42Å; E321-L370 HydrophobicContact CG-CD1 3.72Å; E321-L370 HydrophobicContact CG-CD2 4.4Å; M324-L370 HydrophobicContact CB-CD1 4.22Å; M324-L370 HydrophobicContact CG-CD1 4.03Å; V366-L370 HydrophobicContact CG1-CD1 3.81Å; V366-L370 HydrophobicContact CG1-CG 4.31Å; V366-L370 WeakPolarHBondContact O-CG 3Å; V366-L370 PolarHBondContact O-N 2.92Å; Y367-L370 PolarHBondContact O-N 3.47Å; S368-L370 VanDerWaalsContact C-N 3.34Å
371N87.7Confident73.3Confident27 Ų2776.4 Ų76.414%0.14447%0.469CS..  trans-132.263.7-179.4-168.516000112.8M324 M332 Y367 S368 H373M324-N371 HydrophobicContact CE-CB 3.97Å; M332-N371 HydrophobicContact SD-CB 4.29Å; Y367-N371 HydrophobicContact CE1-CB 4.33Å; Y367-N371 PolarHBondContact O-N 2.98Å; Y367-N371 PolarHBondContact OH-ND2 3.32Å; Y367-N371 VanDerWaalsContact OH-ND2 3.08Å; S368-N371 CarbonylContact O-C 3.41Å; N371-H373 PolarHBondContact O-N 2.93Å
372P80.8Confident70.6Confident81 Ų8181.3 Ų81.353%0.52650%0.495SS..THydrogen-bonded Turntrans-72.3-11.8-170.729.4-36.9000114.6S368S368-P372 WeakPolarHBondContact O-CA 3.39Å
373H72.8Confident67.9Low147 Ų14787.1 Ų87.168%0.68152%0.524SS*.THydrogen-bonded Turntrans-98.1-2.2-171.7-62.7-53.1000114.5N371 S376N371-H373 PolarHBondContact O-N 2.93Å; H373-S376 PolarHBondContact O-OG 2.93Å
374R62.2Low65.1Low111 Ų11196.2 Ų96.242%0.41957%0.566SS.*G310 helixtrans-81.4-17.1-174.8-164.8171.1-179.5162.82114.3P333 D334 Y367 S376 D377P333-R374 PolarHBondContact O-NH1 3.13Å; D334-R374 VanDerWaalsContact N-NH1 3.2Å; D334-R374 IonicContact OD2-NH2 3.61Å; Y367-R374 PolarHBondContact OH-NH1 3.36Å; R374-S376 PolarHBondContact O-N 2.88Å; R374-D377 PolarHBondContact O-N 3.23Å
375E51.6Low62.5Low174 Ų17497.3 Ų97.381%0.81358%0.575SS**G310 helixtrans-67.7-16175.7-69.6-164.7147.800113.5
376S41.8Very low59.6Low97 Ų9799.9 Ų99.968%0.67859%0.586SS**G310 helixtrans-86.8-15.1178.254.50000115.3H373 R374 G378H373-S376 PolarHBondContact O-OG 2.93Å; R374-S376 PolarHBondContact O-N 2.88Å; S376-G378 PolarHBondContact O-N 3.46Å
377D36.3Very low56.9Low138 Ų138113.2 Ų113.274%0.73864%0.636SS**  trans-98.380.5179.2-81.3-15.1000110.4R374 G379R374-D377 PolarHBondContact O-N 3.23Å; D377-G379 VanDerWaalsContact C-N 3.29Å; D377-G379 PolarHBondContact O-N 2.95Å
378G44.7Very low55Low86 Ų86118.2 Ų118.289%0.88767%0.665SS**  trans-63.287.116600000111S376S376-G378 PolarHBondContact O-N 3.46Å
379G32Very low53Low69 Ų69121.8 Ų121.871%0.71168%0.682SS**  trans-107.9102.3168.200000110D377 G381D377-G379 VanDerWaalsContact C-N 3.29Å; D377-G379 PolarHBondContact O-N 2.95Å; G379-G381 PolarHBondContact O-N 3.44Å
380A44.4Very low50.7Low116 Ų116121 Ų12196%0.95969%0.691SS**  trans-57.9105.116400000108.9
381G33Very low48.3Very low59 Ų59124.5 Ų124.561%0.60871%0.713SS**  trans-122120.8167.700000107.4G379 L383G379-G381 PolarHBondContact O-N 3.44Å; G381-L383 PolarHBondContact O-N 2.85Å
382D39Very low45.8Very low171 Ų171130.6 Ų130.691%0.91475%0.748SS**  trans-41.1116.3-174.4-70-50.6000113.5E384D382-E384 VanDerWaalsContact C-N 3.32Å; D382-E384 PolarHBondContact O-N 3.38Å; D382-E384 VanDerWaalsContact O-N 3.13Å
383L40.8Very low43.5Very low158 Ų158133.9 Ų133.983%0.82776%0.763SS**  trans-81.378.5170-73.8163.6000109.3G381G381-L383 PolarHBondContact O-N 2.85Å
384E38.3Very low41.4Very low190 Ų190132.9 Ų132.989%0.88877%0.769SS**  trans-93.688.2145.6-77.6-167.7164.600107.3D382D382-E384 VanDerWaalsContact C-N 3.32Å; D382-E384 PolarHBondContact O-N 3.38Å; D382-E384 VanDerWaalsContact O-N 3.13Å
385D42.1Very low39.8Very low94 Ų94134.6 Ų134.650%0.50380%0.796SS.*  trans-96122.7168.3-153.4-1.9000107.7W387D385-W387 PolarHBondContact O-N 2.99Å; D385-W387 VanDerWaalsContact O-N 3.08Å
386P33.8Very low38.8Very low117 Ų117131.3 Ų131.376%0.7680%0.795SS**  trans-88.250.8-173.836.7-34.9000111.8
387W39.9Very low38.6Very low281 Ų281134.5 Ų134.5100%1.06481%0.805SS**  trans-118.20170.6-65.4105.8000110.7D385D385-W387 PolarHBondContact O-N 2.99Å; D385-W387 VanDerWaalsContact O-N 3.08Å

Retrieved 387 of 387 residues in 1903 ms (Link to these results)

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