A0A096NJ48_PAPAN Loading...

SIM bHLH transcription factor 2

AlphaFold DB , UniProt , Accession A0A096NJ48, Species PAPAN (Papio anubis, Olive baboon), Gene SIM2, Length 667 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
1M67.2Low87.8Confident212 Ų212120.9 Ų120.9100%1.04461%0.613SS**  0-65.60-164.5-179-75.900112.6E3 K4 S5M1-E3 VanDerWaalsContact C-N 3.25Å; M1-E3 PolarHBondContact O-N 3.07Å; M1-E3 VanDerWaalsContact O-N 3.08Å; M1-K4 PolarHBondContact O-N 3.11Å; M1-S5 PolarHBondContact O-N 3.44Å
2K76.9Confident88.5Confident194 Ų194124.3 Ų124.384%0.84361%0.613SS**Hα-helixtrans-47.9-39.2-176.1-67.5-178.4177.8178.50114.9S5 K6K2-S5 WeakPolarHBondContact O-CB 3.5Å; K2-S5 PolarHBondContact O-N 3.14Å; K2-K6 PolarHBondContact O-N 3.01Å
3E82.1Confident89.1Confident143 Ų143126.8 Ų126.867%0.66861%0.611SS**Hα-helixtrans-63.4-43.4178.3-176.1174.3-150.200114.4M1 S5 K6 N7M1-E3 VanDerWaalsContact C-N 3.25Å; M1-E3 PolarHBondContact O-N 3.07Å; M1-E3 VanDerWaalsContact O-N 3.08Å; E3-S5 PolarHBondContact O-N 3.14Å; E3-K6 WeakPolarHBondContact O-CB 3.47Å; E3-K6 PolarHBondContact O-N 3.21Å; E3-K6 VanDerWaalsContact O-N 3.12Å; E3-N7 PolarHBondContact O-N 3.21Å
4K84.4Confident89.6Confident177 Ų177124.8 Ų124.877%0.7760%0.6SS**Hα-helixtrans-59.6-38.8174.6-67.8-169.3176.3-1730110.9M1 A8M1-K4 PolarHBondContact O-N 3.11Å; K4-A8 WeakPolarHBondContact O-CB 3.32Å; K4-A8 PolarHBondContact O-N 3.2Å
5S89.7Confident90.1Very high82 Ų82126.1 Ų126.157%0.57360%0.602SS**Hα-helixtrans-67-41.4174.2-178.90000112.6M1 K2 E3 N7 A8 A9M1-S5 PolarHBondContact O-N 3.44Å; K2-S5 WeakPolarHBondContact O-CB 3.5Å; K2-S5 PolarHBondContact O-N 3.14Å; E3-S5 PolarHBondContact O-N 3.14Å; S5-N7 PolarHBondContact O-N 2.99Å; S5-A8 PolarHBondContact O-N 2.9Å; S5-A9 VanDerWaalsContact O-CB 3.25Å; S5-A9 WeakPolarHBondContact O-CB 3.18Å; S5-A9 PolarHBondContact O-N 3.24Å
6K92.6Very high90.5Very high156 Ų156122.6 Ų122.668%0.67859%0.585SS**Hα-helixtrans-59-46.6174.4-175.5-173.8178-173.70111.5K2 E3 A9 K10K2-K6 PolarHBondContact O-N 3.01Å; E3-K6 WeakPolarHBondContact O-CB 3.47Å; E3-K6 PolarHBondContact O-N 3.21Å; E3-K6 VanDerWaalsContact O-N 3.12Å; K6-A9 PolarHBondContact O-N 3.46Å; K6-K10 WeakPolarHBondContact O-CB 3.43Å; K6-K10 PolarHBondContact O-N 3.05Å
7N92.9Very high90.8Very high83 Ų83120.4 Ų120.444%0.44458%0.577SS.*Hα-helixtrans-69.9-44.2-178.6-66.2-3.8000111.1E3 S5 A9 K10 T11E3-N7 PolarHBondContact O-N 3.21Å; S5-N7 PolarHBondContact O-N 2.99Å; N7-A9 VanDerWaalsContact C-N 3.34Å; N7-A9 PolarHBondContact O-N 3.45Å; N7-K10 WeakPolarHBondContact O-CB 3.38Å; N7-K10 PolarHBondContact O-N 3.34Å; N7-K10 VanDerWaalsContact O-N 3.16Å; N7-T11 PolarHBondContact O-N 3.33Å; N7-T11 PolarHBondContact O-OG1 3.3Å
8A93.4Very high91.1Very high63 Ų63115.4 Ų115.452%0.52156%0.563SS.*Hα-helixtrans-59.9-41.2173.800000112.7K4 S5 R12K4-A8 WeakPolarHBondContact O-CB 3.32Å; K4-A8 PolarHBondContact O-N 3.2Å; S5-A8 PolarHBondContact O-N 2.9Å; A8-R12 WeakPolarHBondContact O-CB 3.43Å; A8-R12 PolarHBondContact O-N 3.27Å
9A94.9Very high91.5Very high30 Ų30116.4 Ų116.425%0.24857%0.566CS.*Hα-helixtrans-67.9-33.6175.700000112.9S5 K6 N7 R13S5-A9 VanDerWaalsContact O-CB 3.25Å; S5-A9 WeakPolarHBondContact O-CB 3.18Å; S5-A9 PolarHBondContact O-N 3.24Å; K6-A9 PolarHBondContact O-N 3.46Å; N7-A9 VanDerWaalsContact C-N 3.34Å; N7-A9 PolarHBondContact O-N 3.45Å; A9-R13 WeakPolarHBondContact O-CG 3.29Å; A9-R13 PolarHBondContact O-N 3.18Å
10K95.3Very high91.8Very high120 Ų120112.7 Ų112.752%0.52255%0.547SS..Hα-helixtrans-64.7-55.5171.8-179.3-176.6160.1179.20110.4K6 N7 R12 R13 E14K6-K10 WeakPolarHBondContact O-CB 3.43Å; K6-K10 PolarHBondContact O-N 3.05Å; N7-K10 WeakPolarHBondContact O-CB 3.38Å; N7-K10 PolarHBondContact O-N 3.34Å; N7-K10 VanDerWaalsContact O-N 3.16Å; K10-R12 VanDerWaalsContact C-N 3.26Å; K10-R12 PolarHBondContact O-N 2.83Å; K10-R13 WeakPolarHBondContact O-CB 3.15Å; K10-R13 PolarHBondContact O-N 3.26Å; K10-E14 WeakPolarHBondContact CE-OE1 3.3Å; K10-E14 HydrophobicContact CG-CG 4.41Å; K10-E14 IonicContact NZ-OE1 3.82Å; K10-E14 PolarHBondContact NZ-OE1 2.68Å; K10-E14 WeakPolarHBondContact O-CG 3.25Å; K10-E14 PolarHBondContact O-N 3.28Å
11T96.1Very high91.9Very high70 Ų70113.5 Ų113.543%0.42955%0.545SS..Hα-helixtrans-60-34.3179.6-56.20000112.6N7 E14 K15N7-T11 PolarHBondContact O-N 3.33Å; N7-T11 PolarHBondContact O-OG1 3.3Å; T11-E14 WeakPolarHBondContact CA-OE2 3.44Å; T11-E14 PolarHBondContact O-N 3.24Å; T11-K15 WeakPolarHBondContact O-CG 3.4Å; T11-K15 PolarHBondContact O-N 3.14Å
12R96.9Very high93.3Very high162 Ų162107.8 Ų107.861%0.61152%0.516SS*.Hα-helixtrans-61.8-47.3172.1-167.7-174.275-147.36.2111.8A8 K10 E14 K15 E16A8-R12 WeakPolarHBondContact O-CB 3.43Å; A8-R12 PolarHBondContact O-N 3.27Å; K10-R12 VanDerWaalsContact C-N 3.26Å; K10-R12 PolarHBondContact O-N 2.83Å; R12-E14 VanDerWaalsContact C-N 3.33Å; R12-E14 PolarHBondContact O-N 2.89Å; R12-K15 PolarHBondContact O-N 3.17Å; R12-E16 WeakPolarHBondContact O-CB 3.47Å; R12-E16 PolarHBondContact O-N 2.86Å
13R96.5Very high94.2Very high157 Ų157101 Ų10159%0.59249%0.489SS*.Hα-helixtrans-65-35177.2-72.4169.8175.4174.2-1.8112.5A9 K10 N17A9-R13 WeakPolarHBondContact O-CG 3.29Å; A9-R13 PolarHBondContact O-N 3.18Å; K10-R13 WeakPolarHBondContact O-CB 3.15Å; K10-R13 PolarHBondContact O-N 3.26Å; R13-N17 VanDerWaalsContact O-CB 3.32Å; R13-N17 WeakPolarHBondContact O-CB 3.41Å; R13-N17 PolarHBondContact O-N 3.26Å; R13-N17 PolarHBondContact O-OD1 2.83Å
14E95.9Very high94.9Very high98 Ų9894.3 Ų94.346%0.45846%0.458SS..Hα-helixtrans-66.6-45.3176.7-71169.3142.400111.3K10 T11 R12 N17 G18K10-E14 WeakPolarHBondContact CE-OE1 3.3Å; K10-E14 HydrophobicContact CG-CG 4.41Å; K10-E14 IonicContact NZ-OE1 3.82Å; K10-E14 PolarHBondContact NZ-OE1 2.68Å; K10-E14 WeakPolarHBondContact O-CG 3.25Å; K10-E14 PolarHBondContact O-N 3.28Å; T11-E14 WeakPolarHBondContact CA-OE2 3.44Å; T11-E14 PolarHBondContact O-N 3.24Å; R12-E14 VanDerWaalsContact C-N 3.33Å; R12-E14 PolarHBondContact O-N 2.89Å; E14-N17 PolarHBondContact O-N 3.3Å; E14-G18 PolarHBondContact O-N 2.97Å; E14-G18 VanDerWaalsContact O-N 3.11Å
15K96.9Very high95.4Very high144 Ų14490.8 Ų90.863%0.62644%0.443SS*.Hα-helixtrans-61.9-50.3171.4-71.7-170.1174.1-162.20112T11 R12 N17 G18 E19T11-K15 WeakPolarHBondContact O-CG 3.4Å; T11-K15 PolarHBondContact O-N 3.14Å; R12-K15 PolarHBondContact O-N 3.17Å; K15-N17 VanDerWaalsContact C-N 3.3Å; K15-N17 PolarHBondContact O-N 3.36Å; K15-G18 WeakPolarHBondContact O-CA 3.47Å; K15-G18 PolarHBondContact O-N 2.67Å; K15-E19 PolarHBondContact O-N 2.99Å
16E96.4Very high95.6Very high71 Ų7193.1 Ų93.133%0.33245%0.448SS..Hα-helixtrans-52.2-46.5177-174.6-159.3128.600111.6R12 G18 E19 F20 K39R12-E16 WeakPolarHBondContact O-CB 3.47Å; R12-E16 PolarHBondContact O-N 2.86Å; E16-G18 VanDerWaalsContact C-N 3.31Å; E16-G18 PolarHBondContact O-N 2.99Å; E16-E19 PolarHBondContact O-N 3.19Å; E16-F20 HydrophobicContact CG-CD2 4.13Å; E16-F20 HydrophobicContact CG-CE2 4.04Å; E16-F20 VanDerWaalsContact O-CD2 3.24Å; E16-F20 WeakPolarHBondContact O-CD2 3.39Å; E16-F20 PolarHBondContact O-N 2.99Å; E16-K39 IonicContact OE1-NZ 2.68Å; E16-K39 PolarHBondContact OE1-NZ 3.28Å
17N95.8Very high95.6Very high85 Ų8586.2 Ų86.246%0.45542%0.419SS..Hα-helixtrans-62.7-35.7175-71.9-2.5000112.8R13 E14 K15 Y21 K39R13-N17 VanDerWaalsContact O-CB 3.32Å; R13-N17 WeakPolarHBondContact O-CB 3.41Å; R13-N17 PolarHBondContact O-N 3.26Å; R13-N17 PolarHBondContact O-OD1 2.83Å; E14-N17 PolarHBondContact O-N 3.3Å; K15-N17 VanDerWaalsContact C-N 3.3Å; K15-N17 PolarHBondContact O-N 3.36Å; N17-Y21 WeakPolarHBondContact O-CB 3.46Å; N17-Y21 PolarHBondContact O-N 3.17Å; N17-K39 VanDerWaalsContact OD1-CE 3.27Å; N17-K39 WeakPolarHBondContact OD1-CE 3.3Å; N17-K39 PolarHBondContact OD1-NZ 3.11Å
18G96.5Very high95.5Very high31 Ų3186.5 Ų86.532%0.3243%0.425SS..Hα-helixtrans-62.4-51.717300000112.1E14 K15 E16 F20 Y21 E22E14-G18 PolarHBondContact O-N 2.97Å; E14-G18 VanDerWaalsContact O-N 3.11Å; K15-G18 WeakPolarHBondContact O-CA 3.47Å; K15-G18 PolarHBondContact O-N 2.67Å; E16-G18 VanDerWaalsContact C-N 3.31Å; E16-G18 PolarHBondContact O-N 2.99Å; G18-F20 VanDerWaalsContact C-N 3.28Å; G18-F20 PolarHBondContact O-N 3.41Å; G18-Y21 WeakPolarHBondContact O-CB 3.47Å; G18-Y21 PolarHBondContact O-N 3.36Å; G18-E22 PolarHBondContact O-N 2.77Å
19E97.4Very high95.3Very high134 Ų13485 Ų8563%0.62641%0.408SS*.Hα-helixtrans-58.1-40.4177-54.3-52.514700111.7K15 E16 Y21 L23K15-E19 PolarHBondContact O-N 2.99Å; E16-E19 PolarHBondContact O-N 3.19Å; E19-Y21 VanDerWaalsContact C-N 3.34Å; E19-Y21 PolarHBondContact O-N 3.29Å; E19-L23 VanDerWaalsContact O-CB 3.22Å; E19-L23 WeakPolarHBondContact O-CB 3.19Å; E19-L23 PolarHBondContact O-N 2.72Å
20F97.4Very high95.2Very high41 Ų4187.1 Ų87.118%0.1842%0.419CS..Hα-helixtrans-61.7-39.2173.5-91.2-71.1000113E16 G18 A24 K39 I42 I43E16-F20 HydrophobicContact CG-CD2 4.13Å; E16-F20 HydrophobicContact CG-CE2 4.04Å; E16-F20 VanDerWaalsContact O-CD2 3.24Å; E16-F20 WeakPolarHBondContact O-CD2 3.39Å; E16-F20 PolarHBondContact O-N 2.99Å; G18-F20 VanDerWaalsContact C-N 3.28Å; G18-F20 PolarHBondContact O-N 3.41Å; F20-A24 WeakPolarHBondContact O-CB 3.38Å; F20-A24 PolarHBondContact O-N 3.12Å; F20-K39 HydrophobicContact CD1-CB 4.07Å; F20-K39 HydrophobicContact CD1-CD 4.44Å; F20-K39 HydrophobicContact CD1-CG 3.83Å; F20-K39 HydrophobicContact CD2-CD 3.7Å; F20-K39 HydrophobicContact CD2-CG 3.95Å; F20-K39 HydrophobicContact CE1-CB 3.68Å; F20-K39 HydrophobicContact CE1-CD 4.32Å; F20-K39 HydrophobicContact CE1-CG 3.87Å; F20-K39 WeakPolarHBondContact CE1-O 3.43Å; F20-K39 HydrophobicContact CE2-CB 4.4Å; F20-K39 HydrophobicContact CE2-CD 3.58Å; F20-K39 HydrophobicContact CE2-CG 4.02Å; F20-K39 HydrophobicContact CG-CD 4.16Å; F20-K39 HydrophobicContact CG-CG 3.88Å; F20-K39 HydrophobicContact CZ-CB 3.88Å; F20-K39 HydrophobicContact CZ-CD 3.92Å; F20-K39 HydrophobicContact CZ-CG 3.98Å; F20-I42 HydrophobicContact CD1-CB 4.29Å; F20-I42 HydrophobicContact CD1-CD1 4.12Å; F20-I42 HydrophobicContact CD1-CG2 4.16Å; F20-I43 HydrophobicContact CE1-CD1 3.72Å; F20-I43 HydrophobicContact CE1-CG1 3.82Å; F20-I43 HydrophobicContact CZ-CD1 4.18Å; F20-I43 HydrophobicContact CZ-CG1 4.25Å
21Y94.8Very high95Very high130 Ų13086 Ų8651%0.5143%0.426SS..Hα-helixtrans-71.4-41.3179.6-175.7-117.5000112.1N17 G18 E19 A24 K25N17-Y21 WeakPolarHBondContact O-CB 3.46Å; N17-Y21 PolarHBondContact O-N 3.17Å; G18-Y21 WeakPolarHBondContact O-CB 3.47Å; G18-Y21 PolarHBondContact O-N 3.36Å; E19-Y21 VanDerWaalsContact C-N 3.34Å; E19-Y21 PolarHBondContact O-N 3.29Å; Y21-A24 PolarHBondContact O-N 3.4Å; Y21-K25 VanDerWaalsContact CD1-CE 3.5Å; Y21-K25 WeakPolarHBondContact O-CG 3.32Å; Y21-K25 PolarHBondContact O-N 2.77Å
22E96.3Very high94.9Very high92 Ų9285.6 Ų85.643%0.4343%0.431SS..Hα-helixtrans-66.6-42.3173.4-58.9-47.2130.400111.5G18 A24 K25 L26G18-E22 PolarHBondContact O-N 2.77Å; E22-A24 VanDerWaalsContact C-N 3.29Å; E22-A24 PolarHBondContact O-N 2.98Å; E22-K25 WeakPolarHBondContact O-CB 3.2Å; E22-K25 PolarHBondContact O-N 3.25Å; E22-K25 VanDerWaalsContact O-N 3.11Å; E22-K25 IonicContact OE1-NZ 3.48Å; E22-K25 PolarHBondContact OE1-NZ 2.85Å; E22-K25 WeakPolarHBondContact OE2-CE 3.12Å; E22-K25 IonicContact OE2-NZ 2.64Å; E22-K25 PolarHBondContact OE2-NZ 2.88Å; E22-L26 WeakPolarHBondContact O-CG 3.38Å; E22-L26 PolarHBondContact O-N 3.27Å
23L96.8Very high94.8Very high51 Ų5180.9 Ų80.927%0.26742%0.417SS..Hα-helixtrans-60.4-37.5175.2-177.359.5000112.4E19 K25 L26 I42 I43 T46E19-L23 VanDerWaalsContact O-CB 3.22Å; E19-L23 WeakPolarHBondContact O-CB 3.19Å; E19-L23 PolarHBondContact O-N 2.72Å; L23-K25 VanDerWaalsContact C-N 3.35Å; L23-K25 PolarHBondContact O-N 2.83Å; L23-L26 PolarHBondContact O-N 3.42Å; L23-I42 HydrophobicContact CB-CG2 4.29Å; L23-I42 HydrophobicContact CD2-CG2 3.85Å; L23-I42 HydrophobicContact CG-CG2 3.87Å; L23-I43 HydrophobicContact CD2-CD1 4.15Å; L23-T46 HydrophobicContact CD1-CG2 4.02Å
24A96.4Very high94.7Very high4 Ų474 Ų743%0.03339%0.392CS..Hα-helixtrans-63.9-36.5175.300000112.6F20 Y21 E22 L26 L27 T34 I42F20-A24 WeakPolarHBondContact O-CB 3.38Å; F20-A24 PolarHBondContact O-N 3.12Å; Y21-A24 PolarHBondContact O-N 3.4Å; E22-A24 VanDerWaalsContact C-N 3.29Å; E22-A24 PolarHBondContact O-N 2.98Å; A24-L26 VanDerWaalsContact C-N 3.26Å; A24-L26 PolarHBondContact O-N 3.45Å; A24-L27 PolarHBondContact O-N 3.48Å; A24-T34 VanDerWaalsContact O-CB 3.23Å; A24-T34 WeakPolarHBondContact O-CB 3.28Å; A24-T34 VanDerWaalsContact O-CG2 3.26Å; A24-T34 WeakPolarHBondContact O-CG2 3.49Å; A24-I42 HydrophobicContact CB-CD1 3.92Å; A24-I42 HydrophobicContact CB-CG1 4.09Å
25K94.9Very high94.6Very high102 Ų10272.8 Ų72.844%0.44340%0.395SS..Hα-helixtrans-67.3-25.1175.1-63.3174.6-155.9167.20113.4Y21 E22 L23 L27Y21-K25 VanDerWaalsContact CD1-CE 3.5Å; Y21-K25 WeakPolarHBondContact O-CG 3.32Å; Y21-K25 PolarHBondContact O-N 2.77Å; E22-K25 WeakPolarHBondContact O-CB 3.2Å; E22-K25 PolarHBondContact O-N 3.25Å; E22-K25 VanDerWaalsContact O-N 3.11Å; E22-K25 IonicContact OE1-NZ 3.48Å; E22-K25 PolarHBondContact OE1-NZ 2.85Å; E22-K25 WeakPolarHBondContact OE2-CE 3.12Å; E22-K25 IonicContact OE2-NZ 2.64Å; E22-K25 PolarHBondContact OE2-NZ 2.88Å; L23-K25 VanDerWaalsContact C-N 3.35Å; L23-K25 PolarHBondContact O-N 2.83Å; K25-L27 VanDerWaalsContact C-N 3.33Å
26L93.8Very high94.4Very high132 Ų13273.7 Ų73.769%0.69140%0.401SS*.THydrogen-bonded Turntrans-84.4-4.3-179.8-64.2174.4000113.5E22 L23 A24E22-L26 WeakPolarHBondContact O-CG 3.38Å; E22-L26 PolarHBondContact O-N 3.27Å; L23-L26 PolarHBondContact O-N 3.42Å; A24-L26 VanDerWaalsContact C-N 3.26Å; A24-L26 PolarHBondContact O-N 3.45Å
27L92.9Very high94.4Very high11 Ų1171.6 Ų71.66%0.05839%0.392CS..SBendtrans-72.8144.2171.4-67.4173.6000110.6A24 K25 L29 T34 L37 L45A24-L27 PolarHBondContact O-N 3.48Å; K25-L27 VanDerWaalsContact C-N 3.33Å; L27-L29 PolarHBondContact O-N 2.99Å; L27-T34 HydrophobicContact CB-CG2 4.17Å; L27-L37 HydrophobicContact CD1-CD1 3.65Å; L27-L45 HydrophobicContact CD1-CB 3.97Å; L27-L45 HydrophobicContact CD1-CD1 4.06Å; L27-L45 HydrophobicContact CD2-CB 3.93Å
28P89.6Confident94.5Very high88 Ų8871.7 Ų71.757%0.57139%0.392SS*.SBendtrans-77.955.7179.536.7-40.7000111.7Y49P28-Y49 HydrophobicContact CB-CE2 4.25Å; P28-Y49 HydrophobicContact CG-CD2 3.68Å; P28-Y49 HydrophobicContact CG-CE2 3.62Å
29L90.6Very high94.5Very high33 Ų3373.8 Ų73.817%0.17339%0.393CS..SBendtrans-136.6149.7-175-68.7175000110.3L27 T34 L45 V117L27-L29 PolarHBondContact O-N 2.99Å; L29-T34 HydrophobicContact CB-CG2 3.6Å; L29-L45 HydrophobicContact CD1-CD1 3.98Å; L29-V117 HydrophobicContact CD1-CG2 4.15Å
30P91.5Very high94.5Very high73 Ų7370.5 Ų70.547%0.47439%0.388SS..  trans-53.2139.7174.8-27.434.6000113.1A32 I33 T34P30-A32 PolarHBondContact O-N 3.42Å; P30-A32 VanDerWaalsContact O-N 3.14Å; P30-I33 HydrophobicContact CB-CG1 4.44Å; P30-I33 HydrophobicContact CG-CD1 4.35Å; P30-I33 WeakPolarHBondContact O-CA 3.24Å; P30-I33 WeakPolarHBondContact O-CB 3.46Å; P30-I33 PolarHBondContact O-N 2.78Å; P30-T34 PolarHBondContact O-N 2.98Å; P30-T34 VanDerWaalsContact O-N 3.08Å
31S91.9Very high94.5Very high96 Ų9669.1 Ų69.167%0.67138%0.384SS*.Hα-helixtrans-58.8-29.2-178.956.70000113.9I33 T34 S35S31-I33 PolarHBondContact O-N 3.11Å; S31-T34 WeakPolarHBondContact CA-OG1 3.35Å; S31-S35 VanDerWaalsContact O-CB 3.29Å; S31-S35 WeakPolarHBondContact O-CB 3.48Å; S31-S35 PolarHBondContact O-N 3.29Å; S31-S35 VanDerWaalsContact O-N 3.1Å; S31-S35 PolarHBondContact O-OG 3.5Å
32A94Very high94.6Very high63 Ų6363.4 Ų63.452%0.52136%0.362SS..Hα-helixtrans-63.8-24172.800000113.3P30 Q36P30-A32 PolarHBondContact O-N 3.42Å; P30-A32 VanDerWaalsContact O-N 3.14Å; A32-Q36 PolarHBondContact O-NE2 3.18Å
33I93.9Very high94.7Very high63 Ų6362.9 Ų62.932%0.32336%0.361SS..Hα-helixtrans-90.4-50.4174-59.2-177.4000109.8P30 S31 S35 Q36 V117P30-I33 HydrophobicContact CB-CG1 4.44Å; P30-I33 HydrophobicContact CG-CD1 4.35Å; P30-I33 WeakPolarHBondContact O-CA 3.24Å; P30-I33 WeakPolarHBondContact O-CB 3.46Å; P30-I33 PolarHBondContact O-N 2.78Å; S31-I33 PolarHBondContact O-N 3.11Å; I33-S35 VanDerWaalsContact C-N 3.27Å; I33-S35 PolarHBondContact O-N 2.6Å; I33-Q36 PolarHBondContact O-N 3.38Å; I33-V117 HydrophobicContact CG2-CG2 3.83Å
34T94.6Very high94.7Very high11 Ų1163.2 Ų63.27%0.06736%0.359CS..Hα-helixtrans-64.4-30.7-172.860.90000113.5A24 L27 L29 P30 S31 Q36 L37A24-T34 VanDerWaalsContact O-CB 3.23Å; A24-T34 WeakPolarHBondContact O-CB 3.28Å; A24-T34 VanDerWaalsContact O-CG2 3.26Å; A24-T34 WeakPolarHBondContact O-CG2 3.49Å; L27-T34 HydrophobicContact CB-CG2 4.17Å; L29-T34 HydrophobicContact CB-CG2 3.6Å; P30-T34 PolarHBondContact O-N 2.98Å; P30-T34 VanDerWaalsContact O-N 3.08Å; S31-T34 WeakPolarHBondContact CA-OG1 3.35Å; T34-Q36 PolarHBondContact O-N 3.2Å; T34-L37 HydrophobicContact CG2-CD1 4.38Å; T34-L37 PolarHBondContact O-N 2.75Å
35S93.6Very high94.8Very high74 Ų7463.6 Ų63.652%0.51736%0.361SS..THydrogen-bonded Turntrans-67.9-12173.6550000115.1S31 I33S31-S35 VanDerWaalsContact O-CB 3.29Å; S31-S35 WeakPolarHBondContact O-CB 3.48Å; S31-S35 PolarHBondContact O-N 3.29Å; S31-S35 VanDerWaalsContact O-N 3.1Å; S31-S35 PolarHBondContact O-OG 3.5Å; I33-S35 VanDerWaalsContact C-N 3.27Å; I33-S35 PolarHBondContact O-N 2.6Å
36Q94.3Very high94.8Very high162 Ų16259.8 Ų59.876%0.75735%0.346SS*.THydrogen-bonded Turntrans-108.3-0.6-179.8-60.3-174.557.800113.4A32 I33 T34A32-Q36 PolarHBondContact O-NE2 3.18Å; I33-Q36 PolarHBondContact O-N 3.38Å; T34-Q36 PolarHBondContact O-N 3.2Å
37L96.2Very high94.9Very high28 Ų2857 Ų5715%0.14733%0.334CS..  trans-73.3140.8-177.6-63.4174.2000112.3L27 T34 I42 L45 V117L27-L37 HydrophobicContact CD1-CD1 3.65Å; T34-L37 HydrophobicContact CG2-CD1 4.38Å; T34-L37 PolarHBondContact O-N 2.75Å; L37-I42 HydrophobicContact CB-CD1 4.22Å; L37-I42 HydrophobicContact CB-CG1 3.69Å; L37-I42 HydrophobicContact CD1-CG1 4.11Å; L37-L45 HydrophobicContact CD1-CD1 3.78Å; L37-L45 HydrophobicContact CD2-CD1 4.01Å; L37-V117 HydrophobicContact CD2-CG1 3.55Å
38D96.4Very high95Very high86 Ų8656.7 Ų56.746%0.4633%0.333SS..  trans-78.5162166.280.8-82.8000111.5A40 S41 I42D38-A40 VanDerWaalsContact C-N 3.31Å; D38-A40 PolarHBondContact O-N 2.82Å; D38-A40 WeakPolarHBondContact OD2-CA 3.44Å; D38-A40 VanDerWaalsContact OD2-CB 3.26Å; D38-A40 WeakPolarHBondContact OD2-CB 3.23Å; D38-A40 PolarHBondContact OD2-N 3.25Å; D38-S41 PolarHBondContact O-N 3.23Å; D38-S41 WeakPolarHBondContact OD1-CB 3.36Å; D38-S41 PolarHBondContact OD1-N 3.4Å; D38-S41 PolarHBondContact OD1-OG 3.42Å; D38-S41 PolarHBondContact OD2-N 3.23Å; D38-S41 VanDerWaalsContact OD2-N 3.16Å; D38-I42 WeakPolarHBondContact O-CG1 3.32Å; D38-I42 PolarHBondContact O-N 2.97Å
39K96.8Very high95.1Very high75 Ų7555.5 Ų55.533%0.32632%0.318SS..Hα-helixtrans-57.1-37.7-178-71.9-173.5168.9-176.80114.2E16 N17 F20 I43E16-K39 IonicContact OE1-NZ 2.68Å; E16-K39 PolarHBondContact OE1-NZ 3.28Å; N17-K39 VanDerWaalsContact OD1-CE 3.27Å; N17-K39 WeakPolarHBondContact OD1-CE 3.3Å; N17-K39 PolarHBondContact OD1-NZ 3.11Å; F20-K39 HydrophobicContact CD1-CB 4.07Å; F20-K39 HydrophobicContact CD1-CD 4.44Å; F20-K39 HydrophobicContact CD1-CG 3.83Å; F20-K39 HydrophobicContact CD2-CD 3.7Å; F20-K39 HydrophobicContact CD2-CG 3.95Å; F20-K39 HydrophobicContact CE1-CB 3.68Å; F20-K39 HydrophobicContact CE1-CD 4.32Å; F20-K39 HydrophobicContact CE1-CG 3.87Å; F20-K39 WeakPolarHBondContact CE1-O 3.43Å; F20-K39 HydrophobicContact CE2-CB 4.4Å; F20-K39 HydrophobicContact CE2-CD 3.58Å; F20-K39 HydrophobicContact CE2-CG 4.02Å; F20-K39 HydrophobicContact CG-CD 4.16Å; F20-K39 HydrophobicContact CG-CG 3.88Å; F20-K39 HydrophobicContact CZ-CB 3.88Å; F20-K39 HydrophobicContact CZ-CD 3.92Å; F20-K39 HydrophobicContact CZ-CG 3.98Å; K39-I43 PolarHBondContact O-N 2.86Å
40A97.1Very high95.2Very high65 Ų6558.5 Ų58.554%0.53733%0.334SS..Hα-helixtrans-72.6-41.1179.900000110.9D38 I42 I43 R44D38-A40 VanDerWaalsContact C-N 3.31Å; D38-A40 PolarHBondContact O-N 2.82Å; D38-A40 WeakPolarHBondContact OD2-CA 3.44Å; D38-A40 VanDerWaalsContact OD2-CB 3.26Å; D38-A40 WeakPolarHBondContact OD2-CB 3.23Å; D38-A40 PolarHBondContact OD2-N 3.25Å; A40-I42 VanDerWaalsContact C-N 3.34Å; A40-I42 PolarHBondContact O-N 3.38Å; A40-I43 PolarHBondContact O-N 3.47Å; A40-R44 VanDerWaalsContact O-CB 3.28Å; A40-R44 WeakPolarHBondContact O-CB 3.45Å; A40-R44 PolarHBondContact O-N 3.25Å
41S97.2Very high95Very high13 Ų1358.1 Ų58.19%0.09132%0.324CS..Hα-helixtrans-62.3-38.2172.7-64.10000112.4D38 R44 L45D38-S41 PolarHBondContact O-N 3.23Å; D38-S41 WeakPolarHBondContact OD1-CB 3.36Å; D38-S41 PolarHBondContact OD1-N 3.4Å; D38-S41 PolarHBondContact OD1-OG 3.42Å; D38-S41 PolarHBondContact OD2-N 3.23Å; D38-S41 VanDerWaalsContact OD2-N 3.16Å; S41-R44 PolarHBondContact O-N 2.92Å; S41-R44 PolarHBondContact OG-NH2 2.97Å; S41-L45 WeakPolarHBondContact O-CB 3.42Å; S41-L45 WeakPolarHBondContact O-CG 3.06Å; S41-L45 PolarHBondContact O-N 3.35Å
42I97.9Very high94.8Very high9 Ų954.8 Ų54.85%0.04630%0.298CS..Hα-helixtrans-58.2-54.9174.5-65.3161.7000110.4F20 L23 A24 L37 D38 A40 R44 L45 T46F20-I42 HydrophobicContact CD1-CB 4.29Å; F20-I42 HydrophobicContact CD1-CD1 4.12Å; F20-I42 HydrophobicContact CD1-CG2 4.16Å; L23-I42 HydrophobicContact CB-CG2 4.29Å; L23-I42 HydrophobicContact CD2-CG2 3.85Å; L23-I42 HydrophobicContact CG-CG2 3.87Å; A24-I42 HydrophobicContact CB-CD1 3.92Å; A24-I42 HydrophobicContact CB-CG1 4.09Å; L37-I42 HydrophobicContact CB-CD1 4.22Å; L37-I42 HydrophobicContact CB-CG1 3.69Å; L37-I42 HydrophobicContact CD1-CG1 4.11Å; D38-I42 WeakPolarHBondContact O-CG1 3.32Å; D38-I42 PolarHBondContact O-N 2.97Å; A40-I42 VanDerWaalsContact C-N 3.34Å; A40-I42 PolarHBondContact O-N 3.38Å; I42-R44 VanDerWaalsContact C-N 3.32Å; I42-R44 PolarHBondContact O-N 3.09Å; I42-L45 PolarHBondContact O-N 3.47Å; I42-T46 PolarHBondContact O-N 2.91Å; I42-T46 PolarHBondContact O-OG1 3.25Å; I42-T46 VanDerWaalsContact O-OG1 3.05Å
43I97.9Very high94.3Very high81 Ų8156.8 Ų56.842%0.41529%0.292SS..Hα-helixtrans-60.6-41178.6-59.6-53.6000111.7F20 L23 K39 A40 T47F20-I43 HydrophobicContact CE1-CD1 3.72Å; F20-I43 HydrophobicContact CE1-CG1 3.82Å; F20-I43 HydrophobicContact CZ-CD1 4.18Å; F20-I43 HydrophobicContact CZ-CG1 4.25Å; L23-I43 HydrophobicContact CD2-CD1 4.15Å; K39-I43 PolarHBondContact O-N 2.86Å; A40-I43 PolarHBondContact O-N 3.47Å; I43-T47 VanDerWaalsContact O-CB 3.28Å; I43-T47 WeakPolarHBondContact O-CB 3.22Å; I43-T47 PolarHBondContact O-N 3.43Å; I43-T47 PolarHBondContact O-OG1 3.27Å
44R97.4Very high93.7Very high59 Ų5956.9 Ų56.922%0.22330%0.303CS..Hα-helixtrans-61-48.9179.4-174.6174.572.2-135.8-13.5111.3A40 S41 I42 T47 S48 V117 T120 N122A40-R44 VanDerWaalsContact O-CB 3.28Å; A40-R44 WeakPolarHBondContact O-CB 3.45Å; A40-R44 PolarHBondContact O-N 3.25Å; S41-R44 PolarHBondContact O-N 2.92Å; S41-R44 PolarHBondContact OG-NH2 2.97Å; I42-R44 VanDerWaalsContact C-N 3.32Å; I42-R44 PolarHBondContact O-N 3.09Å; R44-T47 PolarHBondContact O-N 2.95Å; R44-S48 PolarHBondContact O-N 2.93Å; R44-V117 PolarHBondContact NH2-O 3.07Å; R44-T120 VanDerWaalsContact CD-O 3.3Å; R44-T120 WeakPolarHBondContact CD-O 3.33Å; R44-T120 WeakPolarHBondContact CG-O 3.37Å; R44-T120 PolarHBondContact NE-O 3.49Å; R44-N122 WeakPolarHBondContact CD-OD1 3.28Å; R44-N122 PolarHBondContact NE-OD1 3.48Å; R44-N122 PolarHBondContact NH1-ND2 2.91Å; R44-N122 PolarHBondContact NH1-OD1 2.87Å
45L97.3Very high92.9Very high12 Ų1256.7 Ų56.76%0.06330%0.302CS..Hα-helixtrans-66-44.3179.3-67.1167.8000111.7L27 L29 L37 S41 I42 T47 S48 Y49 V117 T120L27-L45 HydrophobicContact CD1-CB 3.97Å; L27-L45 HydrophobicContact CD1-CD1 4.06Å; L27-L45 HydrophobicContact CD2-CB 3.93Å; L29-L45 HydrophobicContact CD1-CD1 3.98Å; L37-L45 HydrophobicContact CD1-CD1 3.78Å; L37-L45 HydrophobicContact CD2-CD1 4.01Å; S41-L45 WeakPolarHBondContact O-CB 3.42Å; S41-L45 WeakPolarHBondContact O-CG 3.06Å; S41-L45 PolarHBondContact O-N 3.35Å; I42-L45 PolarHBondContact O-N 3.47Å; L45-T47 VanDerWaalsContact C-N 3.31Å; L45-T47 PolarHBondContact O-N 3.01Å; L45-S48 PolarHBondContact O-N 2.81Å; L45-Y49 VanDerWaalsContact O-CB 3.31Å; L45-Y49 WeakPolarHBondContact O-CB 3.34Å; L45-Y49 PolarHBondContact O-N 3.09Å; L45-V117 HydrophobicContact CD1-CG1 4.33Å; L45-T120 HydrophobicContact CD2-CG2 3.87Å
46T96.3Very high92.1Very high22 Ų2255.1 Ų55.114%0.13529%0.285CS..Hα-helixtrans-58.5-43.9174.2-59.10000111.1L23 I42 Y49 L50L23-T46 HydrophobicContact CD1-CG2 4.02Å; I42-T46 PolarHBondContact O-N 2.91Å; I42-T46 PolarHBondContact O-OG1 3.25Å; I42-T46 VanDerWaalsContact O-OG1 3.05Å; T46-Y49 PolarHBondContact O-N 2.83Å; T46-L50 HydrophobicContact CG2-CD1 3.99Å; T46-L50 HydrophobicContact CG2-CG 4.46Å; T46-L50 WeakPolarHBondContact O-CB 3.36Å; T46-L50 VanDerWaalsContact O-CG 3.31Å; T46-L50 WeakPolarHBondContact O-CG 3.37Å; T46-L50 PolarHBondContact O-N 3.04Å
47T95.1Very high90.9Very high72 Ų7250.8 Ų50.844%0.44227%0.271SS..Hα-helixtrans-65.6-43.2-179.5-56.60000111.6I43 R44 L45 L50 K51I43-T47 VanDerWaalsContact O-CB 3.28Å; I43-T47 WeakPolarHBondContact O-CB 3.22Å; I43-T47 PolarHBondContact O-N 3.43Å; I43-T47 PolarHBondContact O-OG1 3.27Å; R44-T47 PolarHBondContact O-N 2.95Å; L45-T47 VanDerWaalsContact C-N 3.31Å; L45-T47 PolarHBondContact O-N 3.01Å; T47-L50 PolarHBondContact O-N 3.15Å; T47-K51 WeakPolarHBondContact O-CB 3.48Å; T47-K51 PolarHBondContact O-N 2.75Å
48S95.4Very high89.3Confident5 Ų557.8 Ų57.84%0.03530%0.304CS..Hα-helixtrans-65.7-41.3175.5-79.20000112.8R44 L45 K51 M52 I101 G121R44-S48 PolarHBondContact O-N 2.93Å; L45-S48 PolarHBondContact O-N 2.81Å; S48-K51 PolarHBondContact O-N 2.91Å; S48-M52 VanDerWaalsContact O-CB 3.31Å; S48-M52 WeakPolarHBondContact O-CB 3.39Å; S48-M52 PolarHBondContact O-N 2.93Å; S48-I101 PolarHBondContact OG-O 2.67Å; S48-G121 WeakPolarHBondContact OG-CA 3.33Å; S48-G121 PolarHBondContact OG-N 3.07Å
49Y92.2Very high87.3Confident63 Ų6355.4 Ų55.425%0.24730%0.299CS..Hα-helixtrans-60.4-45.4174.9177.1-107.3000111.8P28 L45 T46 M52 R53 A63 W64P28-Y49 HydrophobicContact CB-CE2 4.25Å; P28-Y49 HydrophobicContact CG-CD2 3.68Å; P28-Y49 HydrophobicContact CG-CE2 3.62Å; L45-Y49 VanDerWaalsContact O-CB 3.31Å; L45-Y49 WeakPolarHBondContact O-CB 3.34Å; L45-Y49 PolarHBondContact O-N 3.09Å; T46-Y49 PolarHBondContact O-N 2.83Å; Y49-M52 PolarHBondContact O-N 3.41Å; Y49-R53 PolarHBondContact O-N 2.79Å; Y49-A63 PolarHBondContact OH-O 2.84Å; Y49-W64 HydrophobicContact CD1-CZ3 4.15Å; Y49-W64 AromaticContact CD2-CH2 3.92Å; Y49-W64 HydrophobicContact CD2-CH2 3.92Å; Y49-W64 AromaticContact CD2-CZ3 3.52Å; Y49-W64 HydrophobicContact CD2-CZ3 3.52Å; Y49-W64 HydrophobicContact CE1-CE3 4.27Å; Y49-W64 AromaticContact CE1-CZ3 3.86Å; Y49-W64 HydrophobicContact CE1-CZ3 3.86Å; Y49-W64 AromaticContact CE2-CE3 3.86Å; Y49-W64 HydrophobicContact CE2-CE3 3.86Å; Y49-W64 AromaticContact CE2-CH2 3.86Å; Y49-W64 HydrophobicContact CE2-CH2 3.86Å; Y49-W64 AromaticContact CE2-CZ3 3.16Å; Y49-W64 HydrophobicContact CE2-CZ3 3.16Å; Y49-W64 HydrophobicContact CG-CZ3 4.01Å; Y49-W64 AromaticContact CZ-CE3 3.68Å; Y49-W64 AromaticContact CZ-CZ3 3.36Å; Y49-W64 WeakPolarHBondContact O-CH2 3.48Å; Y49-W64 WeakPolarHBondContact O-CZ3 3.41Å
50L91.1Very high85.3Confident97 Ų9757.1 Ų57.151%0.50831%0.311SS..Hα-helixtrans-68.1-37.1175.7-68.1174.6000113T46 T47 R53 A54T46-L50 HydrophobicContact CG2-CD1 3.99Å; T46-L50 HydrophobicContact CG2-CG 4.46Å; T46-L50 WeakPolarHBondContact O-CB 3.36Å; T46-L50 VanDerWaalsContact O-CG 3.31Å; T46-L50 WeakPolarHBondContact O-CG 3.37Å; T46-L50 PolarHBondContact O-N 3.04Å; T47-L50 PolarHBondContact O-N 3.15Å; L50-R53 WeakPolarHBondContact O-CB 3.42Å; L50-R53 PolarHBondContact O-N 2.9Å; L50-A54 PolarHBondContact O-N 2.84Å
51K88.6Confident83.3Confident65 Ų6555.2 Ų55.228%0.28330%0.298SS..Hα-helixtrans-60.6-49.9170.5-86.1-167171-165.60110.9T47 S48 R53 A54 V55 D98 M102T47-K51 WeakPolarHBondContact O-CB 3.48Å; T47-K51 PolarHBondContact O-N 2.75Å; S48-K51 PolarHBondContact O-N 2.91Å; K51-R53 VanDerWaalsContact C-N 3.27Å; K51-R53 PolarHBondContact O-N 3.33Å; K51-A54 WeakPolarHBondContact O-CB 3.2Å; K51-A54 PolarHBondContact O-N 3.17Å; K51-V55 WeakPolarHBondContact O-CG2 3.33Å; K51-V55 PolarHBondContact O-N 2.9Å; K51-V55 VanDerWaalsContact O-N 3.15Å; K51-D98 IonicContact NZ-OD1 2.68Å; K51-D98 PolarHBondContact NZ-OD1 2.8Å; K51-D98 IonicContact NZ-OD2 2.65Å; K51-D98 PolarHBondContact NZ-OD2 3.05Å; K51-M102 HydrophobicContact CB-CG 4.13Å; K51-M102 HydrophobicContact CB-SD 3.74Å; K51-M102 HydrophobicContact CD-CG 4.17Å; K51-M102 HydrophobicContact CD-SD 4.08Å; K51-M102 HydrophobicContact CG-SD 4.49Å
52M87.8Confident81.2Confident25 Ų2557 Ų5712%0.12331%0.307CS..Hα-helixtrans-57.2-39.1179.5-17667.4178.900111.9S48 Y49 A54 V55 F56 W64 V94 Y103S48-M52 VanDerWaalsContact O-CB 3.31Å; S48-M52 WeakPolarHBondContact O-CB 3.39Å; S48-M52 PolarHBondContact O-N 2.93Å; Y49-M52 PolarHBondContact O-N 3.41Å; M52-A54 VanDerWaalsContact C-N 3.34Å; M52-A54 PolarHBondContact O-N 3.09Å; M52-V55 WeakPolarHBondContact O-CB 3.07Å; M52-V55 PolarHBondContact O-N 2.66Å; M52-F56 HydrophobicContact CE-CD2 3.49Å; M52-F56 VanDerWaalsContact CE-CD2 3.49Å; M52-F56 HydrophobicContact CE-CE2 3.48Å; M52-F56 VanDerWaalsContact CE-CE2 3.48Å; M52-F56 PolarHBondContact O-N 3.37Å; M52-F56 HydrophobicContact SD-CD2 3.72Å; M52-F56 HydrophobicContact SD-CE2 3.75Å; M52-W64 HydrophobicContact CB-CH2 4.13Å; M52-W64 HydrophobicContact CG-CH2 4.11Å; M52-W64 HydrophobicContact CG-CZ2 4.14Å; M52-V94 HydrophobicContact CE-CG2 4.03Å; M52-V94 HydrophobicContact SD-CB 4.23Å; M52-V94 HydrophobicContact SD-CG1 4.24Å; M52-V94 HydrophobicContact SD-CG2 4.17Å; M52-Y103 HydrophobicContact CE-CG 4.35Å
53R83.9Confident79.1Confident105 Ų10559.2 Ų59.240%0.39633%0.326SS..Hα-helixtrans-60.1-37.7172.4-170.9176.11671434.6113.6Y49 L50 K51 F56 P57 W64Y49-R53 PolarHBondContact O-N 2.79Å; L50-R53 WeakPolarHBondContact O-CB 3.42Å; L50-R53 PolarHBondContact O-N 2.9Å; K51-R53 VanDerWaalsContact C-N 3.27Å; K51-R53 PolarHBondContact O-N 3.33Å; R53-F56 CarbonylContact O-C 3.57Å; R53-F56 VanDerWaalsContact O-C 3.23Å; R53-F56 PolarHBondContact O-N 3.49Å; R53-P57 VanDerWaalsContact O-CA 3.28Å; R53-P57 WeakPolarHBondContact O-CA 3.44Å; R53-P57 VanDerWaalsContact O-N 3.14Å; R53-W64 HydrophobicContact CB-CD2 4.05Å; R53-W64 HydrophobicContact CB-CE3 3.73Å; R53-W64 HydrophobicContact CB-CH2 3.67Å; R53-W64 HydrophobicContact CB-CZ2 3.98Å; R53-W64 HydrophobicContact CB-CZ3 3.51Å; R53-W64 HydrophobicContact CG-CD2 3.73Å; R53-W64 HydrophobicContact CG-CE3 3.67Å; R53-W64 HydrophobicContact CG-CG 4.19Å; R53-W64 HydrophobicContact CG-CH2 4.44Å; R53-W64 HydrophobicContact CG-CZ2 4.5Å; R53-W64 HydrophobicContact CG-CZ3 4.01Å; R53-W64 PolarHBondContact NH1-O 3.07Å; R53-W64 PolarHBondContact NH2-O 3.32Å
54A80.2Confident77.3Confident66 Ų6655.8 Ų55.855%0.54531%0.308SS..Hα-helixtrans-74.6-26.3178.300000112.8L50 K51 M52 R192L50-A54 PolarHBondContact O-N 2.84Å; K51-A54 WeakPolarHBondContact O-CB 3.2Å; K51-A54 PolarHBondContact O-N 3.17Å; M52-A54 VanDerWaalsContact C-N 3.34Å; M52-A54 PolarHBondContact O-N 3.09Å; A54-R192 PolarHBondContact O-NH1 2.86Å
55V77.4Confident75.1Confident6 Ų656 Ų564%0.03633%0.328CS..Hα-helixtrans-69-49169.2-176.20000110K51 M52 P57 M102 R192 V208K51-V55 WeakPolarHBondContact O-CG2 3.33Å; K51-V55 PolarHBondContact O-N 2.9Å; K51-V55 VanDerWaalsContact O-N 3.15Å; M52-V55 WeakPolarHBondContact O-CB 3.07Å; M52-V55 PolarHBondContact O-N 2.66Å; V55-P57 VanDerWaalsContact C-CD 3.48Å; V55-P57 VanDerWaalsContact O-CD 3.26Å; V55-P57 WeakPolarHBondContact O-CD 3.39Å; V55-M102 HydrophobicContact CG2-CE 3.53Å; V55-M102 HydrophobicContact CG2-SD 3.82Å; V55-R192 PolarHBondContact O-NH2 3.47Å; V55-V208 HydrophobicContact CB-CG1 4.14Å; V55-V208 HydrophobicContact CG1-CG1 3.81Å; V55-V208 HydrophobicContact CG2-CG1 4Å
56F77.7Confident73Confident41 Ų4160.9 Ų60.918%0.1835%0.351CS..  trans-119.870.7-173.8-58.7-78.7000112.3M52 R53 E58 G59 W64 V94 V211M52-F56 HydrophobicContact CE-CD2 3.49Å; M52-F56 VanDerWaalsContact CE-CD2 3.49Å; M52-F56 HydrophobicContact CE-CE2 3.48Å; M52-F56 VanDerWaalsContact CE-CE2 3.48Å; M52-F56 PolarHBondContact O-N 3.37Å; M52-F56 HydrophobicContact SD-CD2 3.72Å; M52-F56 HydrophobicContact SD-CE2 3.75Å; R53-F56 CarbonylContact O-C 3.57Å; R53-F56 VanDerWaalsContact O-C 3.23Å; R53-F56 PolarHBondContact O-N 3.49Å; F56-E58 PolarHBondContact O-N 3.22Å; F56-G59 PolarHBondContact O-N 2.96Å; F56-W64 PolarHBondContact O-NE1 2.99Å; F56-W64 VanDerWaalsContact O-NE1 3.12Å; F56-V94 HydrophobicContact CE2-CG1 4.42Å; F56-V211 HydrophobicContact CZ-CG1 4.49Å; F56-V211 HydrophobicContact CZ-CG2 3.74Å
57P68.4Low70.7Confident71 Ų7165.4 Ų65.446%0.46138%0.38SS..SBendtrans-64.1-26.1-17525.4-35000114R53 V55R53-P57 VanDerWaalsContact O-CA 3.28Å; R53-P57 WeakPolarHBondContact O-CA 3.44Å; R53-P57 VanDerWaalsContact O-N 3.14Å; V55-P57 VanDerWaalsContact C-CD 3.48Å; V55-P57 VanDerWaalsContact O-CD 3.26Å; V55-P57 WeakPolarHBondContact O-CD 3.39Å
58E63.9Low68.7Low176 Ų17663.9 Ų63.982%0.82237%0.373SS*.SBendtrans-102.6-23.2175.3-59.8179.9178.200112.3F56 L60F56-E58 PolarHBondContact O-N 3.22Å; E58-L60 PolarHBondContact O-N 2.99Å
59G54.2Low66.7Low36 Ų3675.4 Ų75.437%0.37142%0.416SS..THydrogen-bonded Turntrans-81.782.7-171.500000113.1F56 W64F56-G59 PolarHBondContact O-N 2.96Å; G59-W64 PolarHBondContact O-NE1 2.81Å
60L54Low64.9Low111 Ų11176 Ų7658%0.58143%0.434SS*.THydrogen-bonded Turntrans164.11.6155.2-91.5154.8000112.2E58 D62 A63 W64E58-L60 PolarHBondContact O-N 2.99Å; L60-D62 PolarHBondContact O-N 3.41Å; L60-A63 HydrophobicContact CB-CB 4.3Å; L60-W64 HydrophobicContact CB-CG 4.48Å; L60-W64 HydrophobicContact CD1-CZ2 3.71Å
61G55.3Low63.5Low25 Ų2572.6 Ų72.626%0.25842%0.422SS..G310 helixtrans62.3-132.1178.200000113A63 W64G61-A63 PolarHBondContact O-N 2.83Å; G61-W64 PolarHBondContact O-N 3Å; G61-W64 VanDerWaalsContact O-N 3.12Å
62D53.1Low62.1Low51 Ų5175.4 Ų75.427%0.27345%0.447SS..G310 helixtrans-50.1-30.7-176.5-49.1-29.6000114.1L60 W64 G65 S68 K78L60-D62 PolarHBondContact O-N 3.41Å; D62-W64 PolarHBondContact O-N 3.44Å; D62-G65 WeakPolarHBondContact O-CA 3.14Å; D62-G65 PolarHBondContact O-N 3.37Å; D62-S68 PolarHBondContact N-OG 3.48Å; D62-S68 WeakPolarHBondContact OD1-CB 3.02Å; D62-S68 PolarHBondContact OD1-OG 2.85Å; D62-K78 IonicContact OD2-NZ 2.71Å; D62-K78 PolarHBondContact OD2-NZ 3.07Å
63A54.3Low60.8Low54 Ų5480.8 Ų80.845%0.44648%0.475SS..G310 helixtrans-67-16-174.900000113.5Y49 L60 G61Y49-A63 PolarHBondContact OH-O 2.84Å; L60-A63 HydrophobicContact CB-CB 4.3Å; G61-A63 PolarHBondContact O-N 2.83Å
64W59Low59.8Low9 Ų978.1 Ų78.13%0.03447%0.469CS..G310 helixtrans-92.1-0.4168.3-65.7135000113.9Y49 M52 R53 F56 G59 L60 G61 D62 Q66Y49-W64 HydrophobicContact CD1-CZ3 4.15Å; Y49-W64 AromaticContact CD2-CH2 3.92Å; Y49-W64 HydrophobicContact CD2-CH2 3.92Å; Y49-W64 AromaticContact CD2-CZ3 3.52Å; Y49-W64 HydrophobicContact CD2-CZ3 3.52Å; Y49-W64 HydrophobicContact CE1-CE3 4.27Å; Y49-W64 AromaticContact CE1-CZ3 3.86Å; Y49-W64 HydrophobicContact CE1-CZ3 3.86Å; Y49-W64 AromaticContact CE2-CE3 3.86Å; Y49-W64 HydrophobicContact CE2-CE3 3.86Å; Y49-W64 AromaticContact CE2-CH2 3.86Å; Y49-W64 HydrophobicContact CE2-CH2 3.86Å; Y49-W64 AromaticContact CE2-CZ3 3.16Å; Y49-W64 HydrophobicContact CE2-CZ3 3.16Å; Y49-W64 HydrophobicContact CG-CZ3 4.01Å; Y49-W64 AromaticContact CZ-CE3 3.68Å; Y49-W64 AromaticContact CZ-CZ3 3.36Å; Y49-W64 WeakPolarHBondContact O-CH2 3.48Å; Y49-W64 WeakPolarHBondContact O-CZ3 3.41Å; M52-W64 HydrophobicContact CB-CH2 4.13Å; M52-W64 HydrophobicContact CG-CH2 4.11Å; M52-W64 HydrophobicContact CG-CZ2 4.14Å; R53-W64 HydrophobicContact CB-CD2 4.05Å; R53-W64 HydrophobicContact CB-CE3 3.73Å; R53-W64 HydrophobicContact CB-CH2 3.67Å; R53-W64 HydrophobicContact CB-CZ2 3.98Å; R53-W64 HydrophobicContact CB-CZ3 3.51Å; R53-W64 HydrophobicContact CG-CD2 3.73Å; R53-W64 HydrophobicContact CG-CE3 3.67Å; R53-W64 HydrophobicContact CG-CG 4.19Å; R53-W64 HydrophobicContact CG-CH2 4.44Å; R53-W64 HydrophobicContact CG-CZ2 4.5Å; R53-W64 HydrophobicContact CG-CZ3 4.01Å; R53-W64 PolarHBondContact NH1-O 3.07Å; R53-W64 PolarHBondContact NH2-O 3.32Å; F56-W64 PolarHBondContact O-NE1 2.99Å; F56-W64 VanDerWaalsContact O-NE1 3.12Å; G59-W64 PolarHBondContact O-NE1 2.81Å; L60-W64 HydrophobicContact CB-CG 4.48Å; L60-W64 HydrophobicContact CD1-CZ2 3.71Å; G61-W64 PolarHBondContact O-N 3Å; G61-W64 VanDerWaalsContact O-N 3.12Å; D62-W64 PolarHBondContact O-N 3.44Å; W64-Q66 VanDerWaalsContact C-N 3.34Å
65G52.3Low59Low63 Ų6378.5 Ų78.565%0.64947%0.468SS*.THydrogen-bonded Turntrans78.315.2-174.300000114.3D62D62-G65 WeakPolarHBondContact O-CA 3.14Å; D62-G65 PolarHBondContact O-N 3.37Å
66Q53Low58.6Low115 Ų11582.1 Ų82.154%0.53749%0.49SS..  trans-74.3127.9162.6-79.4-74.213.700108.5W64 S68W64-Q66 VanDerWaalsContact C-N 3.34Å; Q66-S68 VanDerWaalsContact C-N 3.29Å; Q66-S68 PolarHBondContact O-N 3.14Å
67P48.1Very low58.1Low117 Ų11782.7 Ų82.776%0.7650%0.502SS*.  trans-77.480.9175.431.9-33.9000110.1
68S52Low57.9Low41 Ų4185.2 Ų85.229%0.28751%0.506SS..  trans-54.9145.5163.2-22.10000108.8D62 Q66 A70D62-S68 PolarHBondContact N-OG 3.48Å; D62-S68 WeakPolarHBondContact OD1-CB 3.02Å; D62-S68 PolarHBondContact OD1-OG 2.85Å; Q66-S68 VanDerWaalsContact C-N 3.29Å; Q66-S68 PolarHBondContact O-N 3.14Å; S68-A70 PolarHBondContact O-N 3.33Å
69R53.7Low58.2Low246 Ų24682.4 Ų82.493%0.92849%0.493SS*.  trans-73.281.7165.6-73.8-173.8176.8-171-0.2108.1G71R69-G71 PolarHBondContact O-N 2.81Å
70A55.1Low59.3Low76 Ų7685.9 Ų85.963%0.62850%0.502SS*.  trans-43.3102.1-171.600000111.9S68 D74S68-A70 PolarHBondContact O-N 3.33Å; A70-D74 WeakPolarHBondContact CA-OD2 3.23Å
71G60.9Low60.5Low26 Ų2682.2 Ų82.227%0.26849%0.491SS..  trans-86.8161.1179.700000110.7R69 L73 D74R69-G71 PolarHBondContact O-N 2.81Å; G71-L73 PolarHBondContact O-N 2.97Å; G71-D74 PolarHBondContact N-OD2 3.46Å; G71-D74 PolarHBondContact O-N 3.19Å
72P59.6Low61.6Low124 Ų12483.6 Ų83.681%0.80550%0.497SS*.Hα-helixtrans-53.6-27.8169.7-26.435.5000113
73L61.3Low63.1Low137 Ų13786.1 Ų86.172%0.71751%0.507SS*.Hα-helixtrans-65.4-28.9174.4-90161.2000114.4G71 S75 V76 A77G71-L73 PolarHBondContact O-N 2.97Å; L73-S75 PolarHBondContact O-N 3.03Å; L73-V76 CarbonylContact O-C 3.59Å; L73-V76 PolarHBondContact O-N 3.34Å; L73-A77 WeakPolarHBondContact O-CB 3.16Å; L73-A77 PolarHBondContact O-N 2.97Å
74D62.8Low64.7Low50 Ų5089.1 Ų89.127%0.26752%0.515SS..Hα-helixtrans-73.6-28.7-175-65.6-50.8000112.6A70 G71 K78A70-D74 WeakPolarHBondContact CA-OD2 3.23Å; G71-D74 PolarHBondContact N-OD2 3.46Å; G71-D74 PolarHBondContact O-N 3.19Å; D74-K78 WeakPolarHBondContact O-CD 3.46Å; D74-K78 VanDerWaalsContact O-CG 3.3Å; D74-K78 WeakPolarHBondContact O-CG 3.16Å; D74-K78 PolarHBondContact O-N 3.37Å; D74-K78 VanDerWaalsContact O-N 3.15Å
75S64Low66Low74 Ų7490.4 Ų90.452%0.51752%0.522SS..Hα-helixtrans-67.7-45.5169.9-161.70000110.6L73 A77 K78 E79L73-S75 PolarHBondContact O-N 3.03Å; S75-A77 VanDerWaalsContact C-N 3.31Å; S75-A77 PolarHBondContact O-N 3.2Å; S75-K78 PolarHBondContact O-N 2.87Å; S75-E79 PolarHBondContact O-N 3.24Å; S75-E79 VanDerWaalsContact O-N 3.07Å
76V68.3Low67.6Low81 Ų8194.5 Ų94.549%0.49152%0.524SS..Hα-helixtrans-62.9-38.3176.5-179.20000110.9L73 E79 L80L73-V76 CarbonylContact O-C 3.59Å; L73-V76 PolarHBondContact O-N 3.34Å; V76-E79 PolarHBondContact O-N 2.94Å; V76-L80 WeakPolarHBondContact O-CB 3.49Å; V76-L80 PolarHBondContact O-N 3.04Å
77A66.1Low69.3Low53 Ų5394.8 Ų94.844%0.43853%0.534SS..Hα-helixtrans-65.4-38.6176.800000112.7L73 S75 L80 G81L73-A77 WeakPolarHBondContact O-CB 3.16Å; L73-A77 PolarHBondContact O-N 2.97Å; S75-A77 VanDerWaalsContact C-N 3.31Å; S75-A77 PolarHBondContact O-N 3.2Å; A77-L80 PolarHBondContact O-N 2.82Å; A77-G81 PolarHBondContact O-N 3.12Å
78K65.4Low71.3Confident124 Ų12491.6 Ų91.654%0.53951%0.51SS..Hα-helixtrans-66.9-40.4175.6-72.8163.7-170.5163.40111.7D62 D74 S75D62-K78 IonicContact OD2-NZ 2.71Å; D62-K78 PolarHBondContact OD2-NZ 3.07Å; D74-K78 WeakPolarHBondContact O-CD 3.46Å; D74-K78 VanDerWaalsContact O-CG 3.3Å; D74-K78 WeakPolarHBondContact O-CG 3.16Å; D74-K78 PolarHBondContact O-N 3.37Å; D74-K78 VanDerWaalsContact O-N 3.15Å; S75-K78 PolarHBondContact O-N 2.87Å
79E70.1Confident73Confident117 Ų11793.8 Ų93.855%0.54752%0.519SS..Hα-helixtrans-69.1-39.3172-69.6-178.9172.600112.3S75 V76 G81 S82 H83S75-E79 PolarHBondContact O-N 3.24Å; S75-E79 VanDerWaalsContact O-N 3.07Å; V76-E79 PolarHBondContact O-N 2.94Å; E79-G81 VanDerWaalsContact C-N 3.26Å; E79-G81 PolarHBondContact O-N 3.4Å; E79-S82 PolarHBondContact O-N 2.97Å; E79-S82 PolarHBondContact O-OG 3.24Å; E79-H83 PolarHBondContact O-N 2.88Å; E79-H83 PolarHBondContact O-ND1 2.81Å
80L77.3Confident74.9Confident109 Ų10982 Ų8257%0.57147%0.474SS*.Hα-helixtrans-63.1-32.8178.5-173.667.3000111.8V76 A77 S82 H83 L84V76-L80 WeakPolarHBondContact O-CB 3.49Å; V76-L80 PolarHBondContact O-N 3.04Å; A77-L80 PolarHBondContact O-N 2.82Å; L80-S82 PolarHBondContact O-N 3.16Å; L80-H83 PolarHBondContact O-N 2.93Å; L80-L84 VanDerWaalsContact O-CB 3.24Å; L80-L84 WeakPolarHBondContact O-CB 3.45Å; L80-L84 PolarHBondContact O-N 2.9Å
81G78.9Confident76.9Confident34 Ų3478.4 Ų78.435%0.35145%0.445SS..Hα-helixtrans-59.7-40.6177.600000113.9A77 E79 L85A77-G81 PolarHBondContact O-N 3.12Å; E79-G81 VanDerWaalsContact C-N 3.26Å; E79-G81 PolarHBondContact O-N 3.4Å; G81-L85 WeakPolarHBondContact O-CG 3.49Å; G81-L85 PolarHBondContact O-N 2.85Å
82S79Confident78.6Confident54 Ų5479.1 Ų79.138%0.37844%0.444SS..Hα-helixtrans-73.9-41.3176.764.30000111.7E79 L80 L84 L85 Q86E79-S82 PolarHBondContact O-N 2.97Å; E79-S82 PolarHBondContact O-OG 3.24Å; L80-S82 PolarHBondContact O-N 3.16Å; S82-L84 VanDerWaalsContact C-N 3.34Å; S82-L84 PolarHBondContact O-N 2.95Å; S82-L85 PolarHBondContact O-N 2.7Å; S82-Q86 WeakPolarHBondContact O-CB 3.43Å; S82-Q86 VanDerWaalsContact O-CG 3.28Å; S82-Q86 WeakPolarHBondContact O-CG 3.26Å; S82-Q86 PolarHBondContact O-N 3.17Å
83H84.8Confident80.4Confident104 Ų10473.3 Ų73.348%0.48141%0.406SS..Hα-helixtrans-62.4-38.5174.9-69.990.4000112.5E79 L80 Q86 T87E79-H83 PolarHBondContact O-N 2.88Å; E79-H83 PolarHBondContact O-ND1 2.81Å; L80-H83 PolarHBondContact O-N 2.93Å; H83-Q86 PolarHBondContact O-N 2.95Å; H83-T87 WeakPolarHBondContact O-CB 3.49Å; H83-T87 PolarHBondContact O-N 2.99Å; H83-T87 PolarHBondContact O-OG1 3.16Å
84L86.8Confident82.1Confident117 Ų11767 Ų6761%0.61337%0.372SS*.Hα-helixtrans-62.6-46.6176.1177.962.7000111.1L80 S82 Q86 T87 L88L80-L84 VanDerWaalsContact O-CB 3.24Å; L80-L84 WeakPolarHBondContact O-CB 3.45Å; L80-L84 PolarHBondContact O-N 2.9Å; S82-L84 VanDerWaalsContact C-N 3.34Å; S82-L84 PolarHBondContact O-N 2.95Å; L84-Q86 VanDerWaalsContact C-N 3.34Å; L84-Q86 PolarHBondContact O-N 2.8Å; L84-T87 PolarHBondContact O-N 2.96Å; L84-L88 WeakPolarHBondContact O-CB 3.42Å; L84-L88 PolarHBondContact O-N 3.12Å; L84-L88 VanDerWaalsContact O-N 3.1Å
85L87.1Confident83.7Confident37 Ų3764.6 Ų64.619%0.19436%0.36CS..Hα-helixtrans-66.2-34.4176.3-70.7176.4000112.7G81 S82 V92 T107G81-L85 WeakPolarHBondContact O-CG 3.49Å; G81-L85 PolarHBondContact O-N 2.85Å; S82-L85 PolarHBondContact O-N 2.7Å; L85-V92 HydrophobicContact CD2-CG2 3.94Å; L85-T107 HydrophobicContact CB-CG2 4.19Å
86Q86.2Confident85.1Confident149 Ų14961.3 Ų61.370%0.69634%0.337SS*.Hα-helixtrans-73.4-27.4175.3-71.4172.114.300113.5S82 H83 L84S82-Q86 WeakPolarHBondContact O-CB 3.43Å; S82-Q86 VanDerWaalsContact O-CG 3.28Å; S82-Q86 WeakPolarHBondContact O-CG 3.26Å; S82-Q86 PolarHBondContact O-N 3.17Å; H83-Q86 PolarHBondContact O-N 2.95Å; L84-Q86 VanDerWaalsContact C-N 3.34Å; L84-Q86 PolarHBondContact O-N 2.8Å
87T88.6Confident86.2Confident120 Ų12060.8 Ų60.874%0.73634%0.337SS*.Hα-helixtrans-82-20.6177.3-54.30000111.8H83 L84H83-T87 WeakPolarHBondContact O-CB 3.49Å; H83-T87 PolarHBondContact O-N 2.99Å; H83-T87 PolarHBondContact O-OG1 3.16Å; L84-T87 PolarHBondContact O-N 2.96Å
88L89.4Confident87.5Confident50 Ų5061.6 Ų61.626%0.26233%0.334SS..SBendtrans-78.5120.3179.4-17368.3000111.5L84 G90 V92 V213L84-L88 WeakPolarHBondContact O-CB 3.42Å; L84-L88 PolarHBondContact O-N 3.12Å; L84-L88 VanDerWaalsContact O-N 3.1Å; L88-G90 PolarHBondContact O-N 2.73Å; L88-V92 HydrophobicContact CD2-CG2 3.77Å; L88-V213 HydrophobicContact CD1-CG1 4.03Å; L88-V213 HydrophobicContact CD2-CG1 4.24Å; L88-V213 HydrophobicContact CD2-CG2 4.41Å; L88-V213 HydrophobicContact CG-CG1 4.49Å
89D88.1Confident89Confident87 Ų8755.8 Ų55.847%0.46531%0.309SS..SBendtrans-73.452.4171.5-175.946000111.7Q215D89-Q215 WeakPolarHBondContact O-CG 3.13Å; D89-Q215 PolarHBondContact OD2-NE2 3.38Å
90G93.8Very high90.2Very high0 Ų054.5 Ų54.50%030%0.302CS..EExtended strand (participates in β ladder)trans172.4-152.9-173.300000114.1L88 T107 H111 G214L88-G90 PolarHBondContact O-N 2.73Å; G90-T107 WeakPolarHBondContact O-CB 3.49Å; G90-T107 PolarHBondContact O-OG1 2.68Å; G90-H111 WeakPolarHBondContact CA-CE1 3.5Å; G90-H111 PolarHBondContact N-CE1 3.17Å; G90-H111 VanDerWaalsContact N-CE1 3.27Å; G90-H111 PolarHBondContact N-NE2 3.22Å; G90-H111 PolarHBondContact O-CE1 3.37Å; G90-H111 PolarHBondContact O-ND1 2.83Å; G90-G214 CarbonylContact C-O 3.56Å; G90-G214 WeakPolarHBondContact CA-O 3.41Å
91F96.5Very high91.2Very high0 Ų049.4 Ų49.40%028%0.275CS..EExtended strand (participates in β ladder)trans-141.4146.4179.254.5-89.4000111.5F93 I104 S105 T107 A108 H111 L112 M164 I183 V213 G214F91-F93 HydrophobicContact CD2-CB 4.43Å; F91-F93 HydrophobicContact CD2-CD1 4.01Å; F91-F93 AromaticContact CE2-CD1 3.84Å; F91-F93 HydrophobicContact CE2-CD1 3.84Å; F91-F93 HydrophobicContact CE2-CE1 4.32Å; F91-F93 HydrophobicContact CE2-CG 4.41Å; F91-I104 HydrophobicContact CD2-CD1 3.71Å; F91-I104 HydrophobicContact CD2-CG1 4.04Å; F91-I104 HydrophobicContact CE2-CD1 3.9Å; F91-S105 VanDerWaalsContact CA-OG 3.29Å; F91-S105 WeakPolarHBondContact CA-OG 3.48Å; F91-S105 WeakPolarHBondContact CB-OG 3.31Å; F91-T107 WeakPolarHBondContact CA-OG1 3.48Å; F91-T107 WeakPolarHBondContact CB-OG1 3.33Å; F91-A108 HydrophobicContact CB-CB 3.96Å; F91-A108 HydrophobicContact CD1-CB 4.25Å; F91-A108 HydrophobicContact CD2-CB 4.23Å; F91-A108 HydrophobicContact CG-CB 3.89Å; F91-H111 HydrophobicContact CD1-CB 3.93Å; F91-H111 HydrophobicContact CE1-CB 4.13Å; F91-L112 HydrophobicContact CE1-CD1 4.02Å; F91-L112 HydrophobicContact CE1-CG 4.2Å; F91-L112 HydrophobicContact CZ-CD1 3.86Å; F91-M164 HydrophobicContact CE2-SD 4.28Å; F91-M164 HydrophobicContact CZ-SD 3.78Å; F91-I183 HydrophobicContact CE1-CD1 4.22Å; F91-I183 HydrophobicContact CE1-CG1 4.49Å; F91-I183 HydrophobicContact CE1-CG2 4.36Å; F91-I183 HydrophobicContact CZ-CG1 4.37Å; F91-I183 HydrophobicContact CZ-CG2 3.99Å; F91-V213 CarbonylContact O-C 3.56Å; F91-V213 WeakPolarHBondContact O-CA 3.43Å; F91-G214 WeakPolarHBondContact CD1-O 3.46Å; F91-G214 PolarHBondContact N-O 3.16Å; F91-G214 PolarHBondContact O-N 2.83Å
92V96.4Very high92Very high41 Ų4148.2 Ų48.225%0.24826%0.26CS..EExtended strand (participates in β ladder)trans-89.3137.8172.3-178.70000108L85 L88 Y103 I104 S105 A212 V213L85-V92 HydrophobicContact CD2-CG2 3.94Å; L88-V92 HydrophobicContact CD2-CG2 3.77Å; V92-Y103 HydrophobicContact CB-CE1 4.33Å; V92-Y103 HydrophobicContact CG1-CE1 4.28Å; V92-I104 CarbonylContact O-C 3.44Å; V92-I104 VanDerWaalsContact O-CA 3.29Å; V92-I104 WeakPolarHBondContact O-CA 3.24Å; V92-S105 PolarHBondContact N-OG 3.5Å; V92-S105 PolarHBondContact O-N 2.96Å; V92-A212 WeakPolarHBondContact CA-O 3.49Å; V92-V213 HydrophobicContact CG2-CG2 4.43Å
93F97.3Very high92.8Very high2 Ų249 Ų491%0.00926%0.255CS..EExtended strand (participates in β ladder)trans-143.7151.8175.471-77.8000112.3F91 V95 Y103 I104 I124 C185 L210 A212F91-F93 HydrophobicContact CD2-CB 4.43Å; F91-F93 HydrophobicContact CD2-CD1 4.01Å; F91-F93 AromaticContact CE2-CD1 3.84Å; F91-F93 HydrophobicContact CE2-CD1 3.84Å; F91-F93 HydrophobicContact CE2-CE1 4.32Å; F91-F93 HydrophobicContact CE2-CG 4.41Å; F93-V95 HydrophobicContact CD2-CG2 3.52Å; F93-V95 HydrophobicContact CE2-CG2 3.69Å; F93-Y103 CarbonylContact C-O 3.51Å; F93-Y103 WeakPolarHBondContact CA-O 3.26Å; F93-I104 HydrophobicContact CB-CB 4.14Å; F93-I104 HydrophobicContact CB-CD1 3.84Å; F93-I104 HydrophobicContact CB-CG1 3.92Å; F93-I124 HydrophobicContact CE2-CD1 4.11Å; F93-C185 HydrophobicContact CZ-CB 4.42Å; F93-L210 HydrophobicContact CE2-CD2 4.14Å; F93-L210 HydrophobicContact CZ-CD2 4.49Å; F93-A212 HydrophobicContact CD1-CB 4.19Å; F93-A212 WeakPolarHBondContact CD1-O 3.43Å; F93-A212 HydrophobicContact CE1-CB 3.61Å; F93-A212 HydrophobicContact CE2-CB 4.25Å; F93-A212 HydrophobicContact CZ-CB 3.64Å; F93-A212 PolarHBondContact N-O 3.29Å; F93-A212 PolarHBondContact O-N 3.32Å; F93-A212 VanDerWaalsContact O-O 3.13Å
94V96.9Very high93.4Very high3 Ų344.1 Ų44.12%0.01823%0.233CC..EExtended strand (participates in β ladder)trans-131.5125.7179.2-171.20000109.1M52 F56 I101 M102 Y103 L210 V211M52-V94 HydrophobicContact CE-CG2 4.03Å; M52-V94 HydrophobicContact SD-CB 4.23Å; M52-V94 HydrophobicContact SD-CG1 4.24Å; M52-V94 HydrophobicContact SD-CG2 4.17Å; F56-V94 HydrophobicContact CE2-CG1 4.42Å; V94-I101 CarbonylContact O-C 3.6Å; V94-M102 HydrophobicContact CG1-CE 3.67Å; V94-M102 PolarHBondContact O-N 2.91Å; V94-Y103 HydrophobicContact CG2-CD1 4.33Å; V94-Y103 PolarHBondContact N-O 3.47Å; V94-Y103 PolarHBondContact O-N 3.27Å; V94-L210 CarbonylContact C-O 3.54Å; V94-L210 VanDerWaalsContact CA-O 3.26Å; V94-L210 WeakPolarHBondContact CA-O 3.39Å; V94-L210 WeakPolarHBondContact CG1-O 3.26Å; V94-V211 HydrophobicContact CG1-CG2 4.35Å; V94-V211 HydrophobicContact CG2-CG1 4.36Å
95V97.2Very high93.8Very high0 Ų038.5 Ų38.50%020%0.204CC..EExtended strand (participates in β ladder)trans-120.2130.6-175.7-163.50000109.3F93 G99 K100 I124 M136 L140 G209 L210F93-V95 HydrophobicContact CD2-CG2 3.52Å; F93-V95 HydrophobicContact CE2-CG2 3.69Å; V95-G99 WeakPolarHBondContact CG1-O 3.47Å; V95-K100 WeakPolarHBondContact CA-O 3.46Å; V95-I124 HydrophobicContact CG1-CB 4.42Å; V95-I124 HydrophobicContact CG1-CG2 4.2Å; V95-I124 HydrophobicContact CG2-CD1 3.91Å; V95-M136 HydrophobicContact CG1-CE 4.45Å; V95-M136 HydrophobicContact CG2-CE 4.27Å; V95-L140 HydrophobicContact CB-CD2 4.16Å; V95-L140 HydrophobicContact CG1-CD1 4.36Å; V95-L140 HydrophobicContact CG1-CD2 4.16Å; V95-G209 CarbonylContact O-C 3.53Å; V95-G209 WeakPolarHBondContact O-CA 3.44Å; V95-L210 HydrophobicContact CB-CB 4.38Å; V95-L210 HydrophobicContact CG2-CD2 4.39Å; V95-L210 PolarHBondContact N-O 3.02Å; V95-L210 PolarHBondContact O-N 3.3Å
96A93.9Very high94.1Very high5 Ų541.9 Ų41.94%0.04122%0.219CC..  trans-72.5164.6173.600000111.5D98 G99 K100 M102A96-D98 WeakPolarHBondContact CB-OD1 3.47Å; A96-D98 PolarHBondContact O-N 3.12Å; A96-G99 PolarHBondContact O-N 3.19Å; A96-K100 PolarHBondContact N-O 3.02Å; A96-M102 HydrophobicContact CB-CE 3.93Å; A96-M102 HydrophobicContact CB-CG 3.97Å; A96-M102 HydrophobicContact CB-SD 3.75Å
97S91.3Very high94.6Very high71 Ų7135.9 Ų35.950%0.49719%0.192SC..THydrogen-bonded Turntrans-61.9-18.1170.938.20000113.8G99 I207S97-G99 VanDerWaalsContact C-N 3.26Å; S97-G99 PolarHBondContact O-N 3.5Å; S97-I207 WeakPolarHBondContact CB-O 3.45Å; S97-I207 PolarHBondContact OG-O 3.39Å
98D92.8Very high94.9Very high70 Ų7030.2 Ų30.237%0.37416%0.157SC..THydrogen-bonded Turntrans-84.311.3168.576.3-19.8000114K51 A96 K100K51-D98 IonicContact NZ-OD1 2.68Å; K51-D98 PolarHBondContact NZ-OD1 2.8Å; K51-D98 IonicContact NZ-OD2 2.65Å; K51-D98 PolarHBondContact NZ-OD2 3.05Å; A96-D98 WeakPolarHBondContact CB-OD1 3.47Å; A96-D98 PolarHBondContact O-N 3.12Å; D98-K100 PolarHBondContact O-N 3.39Å; D98-K100 WeakPolarHBondContact OD1-CB 3.36Å; D98-K100 PolarHBondContact OD1-N 3.33Å; D98-K100 VanDerWaalsContact OD2-CD 3.3Å; D98-K100 WeakPolarHBondContact OD2-CD 3.13Å; D98-K100 VanDerWaalsContact OD2-CE 3.31Å; D98-K100 WeakPolarHBondContact OD2-CE 3.33Å; D98-K100 IonicContact OD2-NZ 2.83Å; D98-K100 PolarHBondContact OD2-NZ 3.45Å
99G95.8Very high95.2Very high1 Ų130.2 Ų30.21%0.0116%0.162CC..SBendtrans75.4-0.5178.700000115.2V95 A96 S97 I124V95-G99 WeakPolarHBondContact CG1-O 3.47Å; A96-G99 PolarHBondContact O-N 3.19Å; S97-G99 VanDerWaalsContact C-N 3.26Å; S97-G99 PolarHBondContact O-N 3.5Å; G99-I124 WeakPolarHBondContact O-CG2 3.39Å; G99-I124 PolarHBondContact O-N 2.89Å
100K96.9Very high95.4Very high91 Ų9130.9 Ų30.940%0.39617%0.168SC..BIsolated β-bridgetrans-82.2137.8-177.8-63.5178.3-168.7148.40112.1V95 A96 D98 M102 N122V95-K100 WeakPolarHBondContact CA-O 3.46Å; A96-K100 PolarHBondContact N-O 3.02Å; D98-K100 PolarHBondContact O-N 3.39Å; D98-K100 WeakPolarHBondContact OD1-CB 3.36Å; D98-K100 PolarHBondContact OD1-N 3.33Å; D98-K100 VanDerWaalsContact OD2-CD 3.3Å; D98-K100 WeakPolarHBondContact OD2-CD 3.13Å; D98-K100 VanDerWaalsContact OD2-CE 3.31Å; D98-K100 WeakPolarHBondContact OD2-CE 3.33Å; D98-K100 IonicContact OD2-NZ 2.83Å; D98-K100 PolarHBondContact OD2-NZ 3.45Å; K100-M102 PolarHBondContact O-N 2.93Å; K100-N122 WeakPolarHBondContact CA-O 3.46Å
101I98.1Very high95.4Very high2 Ų231.9 Ų31.91%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-72.5106.3176.5-59.4173.2000108.3S48 V94 Y103 I104 L119 G121 N122 I124 Y127S48-I101 PolarHBondContact OG-O 2.67Å; V94-I101 CarbonylContact O-C 3.6Å; I101-Y103 WeakPolarHBondContact CG2-O 3.48Å; I101-I104 HydrophobicContact CG2-CB 4Å; I101-I104 HydrophobicContact CG2-CG2 4.05Å; I101-L119 HydrophobicContact CD1-CB 4.29Å; I101-L119 HydrophobicContact CD1-CD2 4.17Å; I101-G121 WeakPolarHBondContact O-CA 3.13Å; I101-G121 PolarHBondContact O-N 2.9Å; I101-N122 PolarHBondContact N-O 3.37Å; I101-I124 HydrophobicContact CD1-CB 4.43Å; I101-I124 HydrophobicContact CG1-CB 4.17Å; I101-Y127 HydrophobicContact CD1-CD2 4.3Å
102M95.7Very high95.3Very high8 Ų831.9 Ų31.94%0.03917%0.173CC..EExtended strand (participates in β ladder)trans-79.6-33.2177.1-65.3-172.8-68.200111.7K51 V55 V94 A96 K100K51-M102 HydrophobicContact CB-CG 4.13Å; K51-M102 HydrophobicContact CB-SD 3.74Å; K51-M102 HydrophobicContact CD-CG 4.17Å; K51-M102 HydrophobicContact CD-SD 4.08Å; K51-M102 HydrophobicContact CG-SD 4.49Å; V55-M102 HydrophobicContact CG2-CE 3.53Å; V55-M102 HydrophobicContact CG2-SD 3.82Å; V94-M102 HydrophobicContact CG1-CE 3.67Å; V94-M102 PolarHBondContact O-N 2.91Å; A96-M102 HydrophobicContact CB-CE 3.93Å; A96-M102 HydrophobicContact CB-CG 3.97Å; A96-M102 HydrophobicContact CB-SD 3.75Å; K100-M102 PolarHBondContact O-N 2.93Å
103Y95.8Very high95.3Very high70 Ų7031.3 Ų31.328%0.27518%0.176SC..EExtended strand (participates in β ladder)trans-149.8148.3174.7173.1-95.9000110M52 V92 F93 V94 I101M52-Y103 HydrophobicContact CE-CG 4.35Å; V92-Y103 HydrophobicContact CB-CE1 4.33Å; V92-Y103 HydrophobicContact CG1-CE1 4.28Å; F93-Y103 CarbonylContact C-O 3.51Å; F93-Y103 WeakPolarHBondContact CA-O 3.26Å; V94-Y103 HydrophobicContact CG2-CD1 4.33Å; V94-Y103 PolarHBondContact N-O 3.47Å; V94-Y103 PolarHBondContact O-N 3.27Å; I101-Y103 WeakPolarHBondContact CG2-O 3.48Å
104I97Very high95.3Very high2 Ų231.3 Ų31.31%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-148.5143.3163.3-173.8150.4000108.8F91 V92 F93 I101 A108 Q116 L119F91-I104 HydrophobicContact CD2-CD1 3.71Å; F91-I104 HydrophobicContact CD2-CG1 4.04Å; F91-I104 HydrophobicContact CE2-CD1 3.9Å; V92-I104 CarbonylContact O-C 3.44Å; V92-I104 VanDerWaalsContact O-CA 3.29Å; V92-I104 WeakPolarHBondContact O-CA 3.24Å; F93-I104 HydrophobicContact CB-CB 4.14Å; F93-I104 HydrophobicContact CB-CD1 3.84Å; F93-I104 HydrophobicContact CB-CG1 3.92Å; I101-I104 HydrophobicContact CG2-CB 4Å; I101-I104 HydrophobicContact CG2-CG2 4.05Å; I104-A108 HydrophobicContact CD1-CB 3.88Å; I104-A108 HydrophobicContact CG1-CB 3.79Å; I104-Q116 HydrophobicContact CG2-CG 4.28Å; I104-Q116 WeakPolarHBondContact O-CG 3.43Å; I104-Q116 PolarHBondContact O-NE2 3.36Å; I104-L119 HydrophobicContact CD1-CD1 4.06Å; I104-L119 HydrophobicContact CG2-CB 3.8Å; I104-L119 HydrophobicContact CG2-CD1 4.13Å
105S95.8Very high95.2Very high0 Ų033.6 Ų33.60%019%0.192CC..  trans-74.3150.2-179.961.20000112F91 V92 T107 A108F91-S105 VanDerWaalsContact CA-OG 3.29Å; F91-S105 WeakPolarHBondContact CA-OG 3.48Å; F91-S105 WeakPolarHBondContact CB-OG 3.31Å; V92-S105 PolarHBondContact N-OG 3.5Å; V92-S105 PolarHBondContact O-N 2.96Å; S105-T107 PolarHBondContact O-N 3.03Å; S105-T107 PolarHBondContact OG-OG1 3.03Å; S105-A108 WeakPolarHBondContact O-CB 3.37Å; S105-A108 PolarHBondContact O-N 2.93Å
106E93.5Very high95.2Very high108 Ų10835.2 Ų35.251%0.50520%0.199SC..THydrogen-bonded Turntrans-56-27.7178.8-62.5179.1117.400112.7A108 S109E106-A108 PolarHBondContact O-N 3.11Å; E106-A108 VanDerWaalsContact O-N 3.1Å; E106-S109 WeakPolarHBondContact O-CB 3.28Å; E106-S109 PolarHBondContact O-N 3.17Å; E106-S109 PolarHBondContact O-OG 3.38Å
107T95.1Very high95.3Very high23 Ų2336.3 Ų36.314%0.14121%0.206CC..THydrogen-bonded Turntrans-61-14.1175.861.60000114.2L85 G90 F91 S105 S109 V110 H111L85-T107 HydrophobicContact CB-CG2 4.19Å; G90-T107 WeakPolarHBondContact O-CB 3.49Å; G90-T107 PolarHBondContact O-OG1 2.68Å; F91-T107 WeakPolarHBondContact CA-OG1 3.48Å; F91-T107 WeakPolarHBondContact CB-OG1 3.33Å; S105-T107 PolarHBondContact O-N 3.03Å; S105-T107 PolarHBondContact OG-OG1 3.03Å; T107-S109 PolarHBondContact O-N 3.1Å; T107-V110 WeakPolarHBondContact O-CB 3.48Å; T107-V110 PolarHBondContact O-N 3.46Å; T107-H111 PolarHBondContact O-N 2.9Å; T107-H111 PolarHBondContact O-ND1 3.39Å
108A96.1Very high95.6Very high0 Ų036.2 Ų36.20%020%0.197CC..Hα-helixtrans-58.5-30.3168.800000112.1F91 I104 S105 E106 V110 H111 L112 L119F91-A108 HydrophobicContact CB-CB 3.96Å; F91-A108 HydrophobicContact CD1-CB 4.25Å; F91-A108 HydrophobicContact CD2-CB 4.23Å; F91-A108 HydrophobicContact CG-CB 3.89Å; I104-A108 HydrophobicContact CD1-CB 3.88Å; I104-A108 HydrophobicContact CG1-CB 3.79Å; S105-A108 WeakPolarHBondContact O-CB 3.37Å; S105-A108 PolarHBondContact O-N 2.93Å; E106-A108 PolarHBondContact O-N 3.11Å; E106-A108 VanDerWaalsContact O-N 3.1Å; A108-V110 VanDerWaalsContact C-N 3.32Å; A108-V110 PolarHBondContact O-N 2.71Å; A108-H111 PolarHBondContact O-N 3.42Å; A108-L112 WeakPolarHBondContact O-CB 3.41Å; A108-L112 PolarHBondContact O-N 2.81Å; A108-L119 HydrophobicContact CB-CD1 4.2Å
109S95.1Very high95.8Very high51 Ų5132.9 Ų32.936%0.35718%0.179SC..Hα-helixtrans-64.4-33.2173.8660000113.2E106 T107 H111 G113 L114E106-S109 WeakPolarHBondContact O-CB 3.28Å; E106-S109 PolarHBondContact O-N 3.17Å; E106-S109 PolarHBondContact O-OG 3.38Å; T107-S109 PolarHBondContact O-N 3.1Å; S109-H111 VanDerWaalsContact C-N 3.34Å; S109-G113 WeakPolarHBondContact O-CA 3.4Å; S109-G113 PolarHBondContact O-N 2.8Å; S109-L114 VanDerWaalsContact CA-O 3.24Å; S109-L114 WeakPolarHBondContact CA-O 3.49Å; S109-L114 PolarHBondContact N-O 3.27Å
110V92.8Very high95.9Very high100 Ų10033.4 Ų33.461%0.60618%0.182SC*.Hα-helixtrans-71.5-31.9176.8-1760000111.1T107 A108 L168T107-V110 WeakPolarHBondContact O-CB 3.48Å; T107-V110 PolarHBondContact O-N 3.46Å; A108-V110 VanDerWaalsContact C-N 3.32Å; A108-V110 PolarHBondContact O-N 2.71Å; V110-L168 WeakPolarHBondContact O-CD1 3.43Å
111H92.6Very high95.9Very high21 Ų2129.7 Ų29.710%0.09717%0.17CC..Hα-helixtrans-96.7-31.7-171.9-66.397.7000114.5G90 F91 T107 A108 S109 L168 K181 S216G90-H111 WeakPolarHBondContact CA-CE1 3.5Å; G90-H111 PolarHBondContact N-CE1 3.17Å; G90-H111 VanDerWaalsContact N-CE1 3.27Å; G90-H111 PolarHBondContact N-NE2 3.22Å; G90-H111 PolarHBondContact O-CE1 3.37Å; G90-H111 PolarHBondContact O-ND1 2.83Å; F91-H111 HydrophobicContact CD1-CB 3.93Å; F91-H111 HydrophobicContact CE1-CB 4.13Å; T107-H111 PolarHBondContact O-N 2.9Å; T107-H111 PolarHBondContact O-ND1 3.39Å; A108-H111 PolarHBondContact O-N 3.42Å; S109-H111 VanDerWaalsContact C-N 3.34Å; H111-L168 WeakPolarHBondContact O-CD1 3.47Å; H111-K181 WeakPolarHBondContact O-CD 3.42Å; H111-K181 PolarHBondContact O-NZ 3.39Å; H111-S216 PolarHBondContact CD2-OG 2.83Å; H111-S216 VanDerWaalsContact CD2-OG 3.3Å
112L95.6Very high96Very high1 Ų131.1 Ų31.11%0.00518%0.178CC..Hα-helixtrans-124.5-17.3-176.4-61.6177.2000113.7F91 A108 L114 M164 C166 V167 K181 I183F91-L112 HydrophobicContact CE1-CD1 4.02Å; F91-L112 HydrophobicContact CE1-CG 4.2Å; F91-L112 HydrophobicContact CZ-CD1 3.86Å; A108-L112 WeakPolarHBondContact O-CB 3.41Å; A108-L112 PolarHBondContact O-N 2.81Å; L112-L114 HydrophobicContact CB-CD1 4.39Å; L112-L114 HydrophobicContact CB-CG 4.33Å; L112-L114 PolarHBondContact O-N 2.85Å; L112-M164 HydrophobicContact CD1-CB 4.02Å; L112-M164 HydrophobicContact CD1-CE 4.1Å; L112-M164 HydrophobicContact CD1-SD 4.16Å; L112-M164 HydrophobicContact CD2-CB 3.95Å; L112-C166 HydrophobicContact CD2-CB 4.35Å; L112-C166 CarbonylContact O-C 3.54Å; L112-C166 WeakPolarHBondContact O-CA 3.41Å; L112-V167 PolarHBondContact O-N 2.83Å; L112-K181 HydrophobicContact CD2-CB 4.26Å; L112-K181 HydrophobicContact CD2-CD 4.3Å; L112-I183 HydrophobicContact CD2-CD1 4Å; L112-I183 HydrophobicContact CD2-CG1 4.17Å
113G95.9Very high96.1Very high29 Ų2932.2 Ų32.230%0.29919%0.186SC..SBendtrans79.6-2.2-17600000114.8S109 V167S109-G113 WeakPolarHBondContact O-CA 3.4Å; S109-G113 PolarHBondContact O-N 2.8Å; G113-V167 VanDerWaalsContact C-CG2 3.4Å; G113-V167 VanDerWaalsContact O-CG2 3.28Å; G113-V167 WeakPolarHBondContact O-CG2 3.49Å
114L96.8Very high96.2Very high2 Ų228.9 Ų28.91%0.0117%0.173CC..  trans-89.1142.2179.1-59.6174.1000110.2S109 L112 E118 L119 Y127 K165 V167S109-L114 VanDerWaalsContact CA-O 3.24Å; S109-L114 WeakPolarHBondContact CA-O 3.49Å; S109-L114 PolarHBondContact N-O 3.27Å; L112-L114 HydrophobicContact CB-CD1 4.39Å; L112-L114 HydrophobicContact CB-CG 4.33Å; L112-L114 PolarHBondContact O-N 2.85Å; L114-E118 WeakPolarHBondContact CD2-OE1 3.48Å; L114-L119 HydrophobicContact CB-CD1 3.81Å; L114-L119 HydrophobicContact CB-CD2 4.32Å; L114-L119 HydrophobicContact CB-CG 4.1Å; L114-L119 HydrophobicContact CD1-CD2 4.1Å; L114-Y127 HydrophobicContact CD1-CD1 3.76Å; L114-Y127 HydrophobicContact CD1-CE1 4.37Å; L114-K165 HydrophobicContact CD1-CB 4.32Å; L114-K165 WeakPolarHBondContact CD1-O 3.16Å; L114-V167 HydrophobicContact CD2-CB 4.5Å; L114-V167 HydrophobicContact CD2-CG1 3.88Å; L114-V167 HydrophobicContact CD2-CG2 3.78Å; L114-V167 HydrophobicContact CG-CG2 4.29Å
115S96.5Very high96.3Very high51 Ų5131.5 Ų31.536%0.35718%0.183SC..  trans-87.2150.7-175.774.60000112.9V117 E118 L119S115-V117 PolarHBondContact O-N 2.91Å; S115-E118 PolarHBondContact N-OE2 3.38Å; S115-E118 WeakPolarHBondContact O-CB 3.43Å; S115-E118 PolarHBondContact O-N 3.03Å; S115-E118 WeakPolarHBondContact OG-CB 3.33Å; S115-E118 PolarHBondContact OG-N 2.95Å; S115-E118 VanDerWaalsContact OG-N 3.1Å; S115-L119 WeakPolarHBondContact O-CB 3.28Å; S115-L119 WeakPolarHBondContact O-CD1 3.35Å; S115-L119 WeakPolarHBondContact O-CG 3.48Å; S115-L119 PolarHBondContact O-N 2.92Å
116Q96.6Very high96.4Very high33 Ų3336.9 Ų36.915%0.15421%0.208CC..Hα-helixtrans-56-39.3174.4177.7-174.36400112.1I104 L119 T120I104-Q116 HydrophobicContact CG2-CG 4.28Å; I104-Q116 WeakPolarHBondContact O-CG 3.43Å; I104-Q116 PolarHBondContact O-NE2 3.36Å; Q116-L119 PolarHBondContact O-N 2.86Å; Q116-T120 WeakPolarHBondContact O-CB 3.46Å; Q116-T120 PolarHBondContact O-N 2.89Å; Q116-T120 PolarHBondContact O-OG1 2.85Å
117V96.5Very high96.6Very high29 Ų2932.3 Ų32.318%0.17619%0.187CC..Hα-helixtrans-68.1-36.1179.6168.10000112.6L29 I33 L37 R44 L45 S115L29-V117 HydrophobicContact CD1-CG2 4.15Å; I33-V117 HydrophobicContact CG2-CG2 3.83Å; L37-V117 HydrophobicContact CD2-CG1 3.55Å; R44-V117 PolarHBondContact NH2-O 3.07Å; L45-V117 HydrophobicContact CD1-CG1 4.33Å; S115-V117 PolarHBondContact O-N 2.91Å
118E96.3Very high96.8Very high68 Ų6831.3 Ų31.332%0.31818%0.181SC..Hα-helixtrans-68.2-46.2173.5177.6-170.4177.500111.1L114 S115 N122 Y127L114-E118 WeakPolarHBondContact CD2-OE1 3.48Å; S115-E118 PolarHBondContact N-OE2 3.38Å; S115-E118 WeakPolarHBondContact O-CB 3.43Å; S115-E118 PolarHBondContact O-N 3.03Å; S115-E118 WeakPolarHBondContact OG-CB 3.33Å; S115-E118 PolarHBondContact OG-N 2.95Å; S115-E118 VanDerWaalsContact OG-N 3.1Å; E118-N122 PolarHBondContact O-ND2 2.87Å; E118-Y127 HydrophobicContact CG-CE1 4.4Å; E118-Y127 PolarHBondContact O-OH 2.94Å
119L98Very high96.9Very high0 Ų033.4 Ų33.40%019%0.19CC..Hα-helixtrans-75.1-41-174.1-71.9160.3000113.4I101 I104 A108 L114 S115 Q116 G121 N122 Y127I101-L119 HydrophobicContact CD1-CB 4.29Å; I101-L119 HydrophobicContact CD1-CD2 4.17Å; I104-L119 HydrophobicContact CD1-CD1 4.06Å; I104-L119 HydrophobicContact CG2-CB 3.8Å; I104-L119 HydrophobicContact CG2-CD1 4.13Å; A108-L119 HydrophobicContact CB-CD1 4.2Å; L114-L119 HydrophobicContact CB-CD1 3.81Å; L114-L119 HydrophobicContact CB-CD2 4.32Å; L114-L119 HydrophobicContact CB-CG 4.1Å; L114-L119 HydrophobicContact CD1-CD2 4.1Å; S115-L119 WeakPolarHBondContact O-CB 3.28Å; S115-L119 WeakPolarHBondContact O-CD1 3.35Å; S115-L119 WeakPolarHBondContact O-CG 3.48Å; S115-L119 PolarHBondContact O-N 2.92Å; Q116-L119 PolarHBondContact O-N 2.86Å; L119-G121 PolarHBondContact O-N 3.46Å; L119-N122 PolarHBondContact O-N 2.96Å; L119-Y127 HydrophobicContact CD2-CD1 3.65Å; L119-Y127 HydrophobicContact CD2-CD2 3.9Å; L119-Y127 HydrophobicContact CD2-CE1 3.74Å; L119-Y127 HydrophobicContact CD2-CE2 4Å; L119-Y127 HydrophobicContact CD2-CG 3.72Å
120T98.1Very high97Very high12 Ų1234.9 Ų34.97%0.07420%0.198CC..THydrogen-bonded Turntrans-69.4122.7-167.4-59.20000111.8R44 L45 Q116R44-T120 VanDerWaalsContact CD-O 3.3Å; R44-T120 WeakPolarHBondContact CD-O 3.33Å; R44-T120 WeakPolarHBondContact CG-O 3.37Å; R44-T120 PolarHBondContact NE-O 3.49Å; L45-T120 HydrophobicContact CD2-CG2 3.87Å; Q116-T120 WeakPolarHBondContact O-CB 3.46Å; Q116-T120 PolarHBondContact O-N 2.89Å; Q116-T120 PolarHBondContact O-OG1 2.85Å
121G97.1Very high97.2Very high14 Ų1434.3 Ų34.314%0.14420%0.199CC..THydrogen-bonded Turntrans86.8-7.7178.500000115.9S48 I101 L119S48-G121 WeakPolarHBondContact OG-CA 3.33Å; S48-G121 PolarHBondContact OG-N 3.07Å; I101-G121 WeakPolarHBondContact O-CA 3.13Å; I101-G121 PolarHBondContact O-N 2.9Å; L119-G121 PolarHBondContact O-N 3.46Å
122N98.3Very high97.5Very high32 Ų3233.3 Ų33.317%0.17120%0.195CC..SBendtrans-80.8170.7168.1-71.5-17.5000110.4R44 K100 I101 E118 L119 Y127R44-N122 WeakPolarHBondContact CD-OD1 3.28Å; R44-N122 PolarHBondContact NE-OD1 3.48Å; R44-N122 PolarHBondContact NH1-ND2 2.91Å; R44-N122 PolarHBondContact NH1-OD1 2.87Å; K100-N122 WeakPolarHBondContact CA-O 3.46Å; I101-N122 PolarHBondContact N-O 3.37Å; E118-N122 PolarHBondContact O-ND2 2.87Å; L119-N122 PolarHBondContact O-N 2.96Å; N122-Y127 HydrophobicContact CB-CE2 3.85Å; N122-Y127 PolarHBondContact ND2-OH 3.04Å
123S98.2Very high97.6Very high30 Ų3035.8 Ų35.821%0.2121%0.206CC..BIsolated β-bridgetrans-78.5132.8179.7-170.70000110.8Y125 E126 Y127S123-Y125 PolarHBondContact O-N 2.69Å; S123-Y125 VanDerWaalsContact O-N 3.15Å; S123-Y125 WeakPolarHBondContact OG-CD2 3.18Å; S123-E126 WeakPolarHBondContact CA-OE1 3.4Å; S123-E126 WeakPolarHBondContact CB-OE1 3.32Å; S123-E126 PolarHBondContact N-OE1 2.9Å; S123-E126 WeakPolarHBondContact O-CB 3.21Å; S123-E126 PolarHBondContact O-N 3.2Å; S123-Y127 WeakPolarHBondContact O-CD2 3.49Å
124I98.5Very high97.6Very high1 Ų141.1 Ų41.11%0.00523%0.227CC..G310 helixtrans-58.7-30.3176.3-165.7167.2000111.9F93 V95 G99 I101 E126 Y127 I128 M136 L162F93-I124 HydrophobicContact CE2-CD1 4.11Å; V95-I124 HydrophobicContact CG1-CB 4.42Å; V95-I124 HydrophobicContact CG1-CG2 4.2Å; V95-I124 HydrophobicContact CG2-CD1 3.91Å; G99-I124 WeakPolarHBondContact O-CG2 3.39Å; G99-I124 PolarHBondContact O-N 2.89Å; I101-I124 HydrophobicContact CD1-CB 4.43Å; I101-I124 HydrophobicContact CG1-CB 4.17Å; I124-E126 PolarHBondContact O-N 2.85Å; I124-Y127 PolarHBondContact O-N 2.77Å; I124-I128 HydrophobicContact CG1-CG2 4.1Å; I124-I128 WeakPolarHBondContact O-CG1 3.2Å; I124-I128 PolarHBondContact O-N 2.92Å; I124-I128 VanDerWaalsContact O-N 3.13Å; I124-M136 HydrophobicContact CD1-CE 3.77Å; I124-M136 HydrophobicContact CD1-SD 4.08Å; I124-M136 HydrophobicContact CG2-CE 4.28Å; I124-M136 HydrophobicContact CG2-CG 4.07Å; I124-L162 HydrophobicContact CD1-CD1 4.47Å
125Y98.5Very high97.6Very high56 Ų5643.5 Ų43.522%0.2224%0.238CC..G310 helixtrans-60.9-20.2177.2-61.4-79.6000114S123 Y127 I128 H133 M136 T137S123-Y125 PolarHBondContact O-N 2.69Å; S123-Y125 VanDerWaalsContact O-N 3.15Å; S123-Y125 WeakPolarHBondContact OG-CD2 3.18Å; Y125-Y127 VanDerWaalsContact C-N 3.28Å; Y125-I128 HydrophobicContact CD1-CD1 3.97Å; Y125-I128 HydrophobicContact CD1-CG1 4.47Å; Y125-I128 HydrophobicContact CE1-CD1 4.31Å; Y125-H133 HydrophobicContact CD1-CB 3.98Å; Y125-H133 AromaticContact CD1-CD2 3.97Å; Y125-H133 AromaticContact CD1-CG 3.67Å; Y125-H133 AromaticContact CD1-ND1 3.76Å; Y125-H133 HydrophobicContact CE1-CB 4.15Å; Y125-H133 PolarHBondContact O-CE1 3.26Å; Y125-H133 VanDerWaalsContact O-CE1 3.27Å; Y125-H133 PolarHBondContact O-NE2 2.96Å; Y125-H133 VanDerWaalsContact O-NE2 3.15Å; Y125-M136 HydrophobicContact CE1-CB 4.05Å; Y125-M136 HydrophobicContact CE1-CG 4.2Å; Y125-T137 WeakPolarHBondContact OH-CA 3.46Å; Y125-T137 PolarHBondContact OH-N 3.19Å; Y125-T137 PolarHBondContact OH-OG1 2.72Å; Y125-T137 VanDerWaalsContact OH-OG1 3.12Å
126E98.2Very high97.6Very high113 Ų11341 Ų4153%0.52822%0.222SC..G310 helixtrans-74.4-18.3171.9-64165.7-119.400112.9S123 I124S123-E126 WeakPolarHBondContact CA-OE1 3.4Å; S123-E126 WeakPolarHBondContact CB-OE1 3.32Å; S123-E126 PolarHBondContact N-OE1 2.9Å; S123-E126 WeakPolarHBondContact O-CB 3.21Å; S123-E126 PolarHBondContact O-N 3.2Å; I124-E126 PolarHBondContact O-N 2.85Å
127Y98.3Very high97.6Very high12 Ų1242.5 Ų42.55%0.04723%0.233CC..THydrogen-bonded Turntrans-119-5.3-172.8-55-82.4000113.8I101 L114 E118 L119 N122 S123 I124 Y125 M164 K165I101-Y127 HydrophobicContact CD1-CD2 4.3Å; L114-Y127 HydrophobicContact CD1-CD1 3.76Å; L114-Y127 HydrophobicContact CD1-CE1 4.37Å; E118-Y127 HydrophobicContact CG-CE1 4.4Å; E118-Y127 PolarHBondContact O-OH 2.94Å; L119-Y127 HydrophobicContact CD2-CD1 3.65Å; L119-Y127 HydrophobicContact CD2-CD2 3.9Å; L119-Y127 HydrophobicContact CD2-CE1 3.74Å; L119-Y127 HydrophobicContact CD2-CE2 4Å; L119-Y127 HydrophobicContact CD2-CG 3.72Å; N122-Y127 HydrophobicContact CB-CE2 3.85Å; N122-Y127 PolarHBondContact ND2-OH 3.04Å; S123-Y127 WeakPolarHBondContact O-CD2 3.49Å; I124-Y127 PolarHBondContact O-N 2.77Å; Y125-Y127 VanDerWaalsContact C-N 3.28Å; Y127-M164 CarbonylContact O-C 3.45Å; Y127-M164 WeakPolarHBondContact O-CA 3.23Å; Y127-K165 HydrophobicContact CD1-CD 4.46Å; Y127-K165 PolarHBondContact O-N 3.15Å
128I98.3Very high97.4Very high3 Ų341.9 Ų41.92%0.01523%0.231CC..BIsolated β-bridgetrans-106.8146.5172.858.3158.7000111.6I124 Y125 H133 M136 L162 R163 M164I124-I128 HydrophobicContact CG1-CG2 4.1Å; I124-I128 WeakPolarHBondContact O-CG1 3.2Å; I124-I128 PolarHBondContact O-N 2.92Å; I124-I128 VanDerWaalsContact O-N 3.13Å; Y125-I128 HydrophobicContact CD1-CD1 3.97Å; Y125-I128 HydrophobicContact CD1-CG1 4.47Å; Y125-I128 HydrophobicContact CE1-CD1 4.31Å; I128-H133 PolarHBondContact O-NE2 2.83Å; I128-M136 HydrophobicContact CD1-CB 3.56Å; I128-M136 HydrophobicContact CD1-CG 3.89Å; I128-L162 HydrophobicContact CD1-CD2 4.3Å; I128-L162 HydrophobicContact CG2-CB 4.29Å; I128-L162 HydrophobicContact CG2-CD1 3.83Å; I128-L162 HydrophobicContact CG2-CD2 4.16Å; I128-L162 HydrophobicContact CG2-CG 4.33Å; I128-R163 WeakPolarHBondContact CA-O 3.26Å; I128-M164 HydrophobicContact CG2-CG 4.14Å
129H98.1Very high97.4Very high43 Ų4338.9 Ų38.920%0.19922%0.217CC..  trans-57.5134.2178.6-174.8-88.6000111.2S131 D132 H133 R163 Y180H129-S131 VanDerWaalsContact C-N 3.28Å; H129-S131 PolarHBondContact CE1-OG 2.86Å; H129-S131 VanDerWaalsContact CE1-OG 3.29Å; H129-S131 PolarHBondContact ND1-N 2.84Å; H129-S131 PolarHBondContact O-N 3.39Å; H129-S131 VanDerWaalsContact O-N 3.1Å; H129-D132 PolarHBondContact O-N 2.91Å; H129-H133 PolarHBondContact O-CD2 3.15Å; H129-H133 VanDerWaalsContact O-CD2 3.26Å; H129-R163 HydrophobicContact CB-CB 3.65Å; H129-R163 PolarHBondContact N-O 2.91Å; H129-Y180 HydrophobicContact CB-CD1 3.89Å; H129-Y180 HydrophobicContact CB-CE1 3.92Å; H129-Y180 HydrophobicContact CB-CG 4.33Å; H129-Y180 AromaticContact CD2-CD2 3.87Å; H129-Y180 AromaticContact CD2-CE2 3.82Å
130P97.8Very high97.2Very high82 Ų8239.3 Ų39.353%0.53222%0.219SC..G310 helixtrans-49.8-41.8-175.1-32.437.2000115D132 H133P130-D132 PolarHBondContact O-N 3.2Å; P130-D132 VanDerWaalsContact O-N 3.11Å; P130-H133 VanDerWaalsContact CA-CD2 3.49Å; P130-H133 WeakPolarHBondContact CA-CD2 3.46Å; P130-H133 VanDerWaalsContact O-CB 3.26Å; P130-H133 WeakPolarHBondContact O-CB 3.5Å; P130-H133 PolarHBondContact O-CD2 3.11Å; P130-H133 VanDerWaalsContact O-CG 3.27Å; P130-H133 PolarHBondContact O-N 3.16Å
131S97.3Very high96.8Very high88 Ų8840.9 Ų40.962%0.61523%0.229SC*.G310 helixtrans-70.4-1.3178.5-40.80000115.5H129H129-S131 VanDerWaalsContact C-N 3.28Å; H129-S131 PolarHBondContact CE1-OG 2.86Å; H129-S131 VanDerWaalsContact CE1-OG 3.29Å; H129-S131 PolarHBondContact ND1-N 2.84Å; H129-S131 PolarHBondContact O-N 3.39Å; H129-S131 VanDerWaalsContact O-N 3.1Å
132D97.9Very high96Very high1 Ų141.7 Ų41.71%0.00523%0.234CC..G310 helixtrans-104.91.9171.2-63.2-29.2000112H129 P130 E135 M136 L162 R163 K287H129-D132 PolarHBondContact O-N 2.91Å; P130-D132 PolarHBondContact O-N 3.2Å; P130-D132 VanDerWaalsContact O-N 3.11Å; D132-E135 PolarHBondContact O-N 2.83Å; D132-M136 PolarHBondContact O-N 2.98Å; D132-L162 HydrophobicContact CB-CD2 4.2Å; D132-R163 IonicContact OD1-CZ 3.59Å; D132-R163 IonicContact OD1-NE 2.68Å; D132-R163 PolarHBondContact OD1-NE 3.08Å; D132-R163 IonicContact OD1-NH2 3.09Å; D132-R163 PolarHBondContact OD1-NH2 2.86Å; D132-R163 VanDerWaalsContact OD2-CB 3.26Å; D132-R163 WeakPolarHBondContact OD2-CB 3.41Å; D132-R163 IonicContact OD2-CZ 2.72Å; D132-R163 PolarHBondContact OD2-N 2.84Å; D132-R163 IonicContact OD2-NE 2.92Å; D132-R163 PolarHBondContact OD2-NE 2.83Å; D132-R163 IonicContact OD2-NH2 2.67Å; D132-K287 VanDerWaalsContact OD1-CE 3.28Å; D132-K287 WeakPolarHBondContact OD1-CE 3.49Å; D132-K287 IonicContact OD1-NZ 2.77Å; D132-K287 PolarHBondContact OD1-NZ 3.47Å; D132-K287 VanDerWaalsContact OD1-NZ 3.11Å
133H97.9Very high94.5Very high52 Ų5243.1 Ų43.124%0.24124%0.24CC..Hα-helixtrans-66-41.5-176.1-73.7-158.4000112.8Y125 I128 H129 P130 E135 M136 T137Y125-H133 HydrophobicContact CD1-CB 3.98Å; Y125-H133 AromaticContact CD1-CD2 3.97Å; Y125-H133 AromaticContact CD1-CG 3.67Å; Y125-H133 AromaticContact CD1-ND1 3.76Å; Y125-H133 HydrophobicContact CE1-CB 4.15Å; Y125-H133 PolarHBondContact O-CE1 3.26Å; Y125-H133 VanDerWaalsContact O-CE1 3.27Å; Y125-H133 PolarHBondContact O-NE2 2.96Å; Y125-H133 VanDerWaalsContact O-NE2 3.15Å; I128-H133 PolarHBondContact O-NE2 2.83Å; H129-H133 PolarHBondContact O-CD2 3.15Å; H129-H133 VanDerWaalsContact O-CD2 3.26Å; P130-H133 VanDerWaalsContact CA-CD2 3.49Å; P130-H133 WeakPolarHBondContact CA-CD2 3.46Å; P130-H133 VanDerWaalsContact O-CB 3.26Å; P130-H133 WeakPolarHBondContact O-CB 3.5Å; P130-H133 PolarHBondContact O-CD2 3.11Å; P130-H133 VanDerWaalsContact O-CG 3.27Å; P130-H133 PolarHBondContact O-N 3.16Å; H133-E135 VanDerWaalsContact C-N 3.33Å; H133-E135 PolarHBondContact O-N 2.95Å; H133-M136 PolarHBondContact O-N 3.05Å; H133-T137 WeakPolarHBondContact O-CB 3.49Å; H133-T137 PolarHBondContact O-N 3.29Å; H133-T137 PolarHBondContact O-OG1 3.28Å
134D96.9Very high92.7Very high141 Ų14149.5 Ų49.575%0.75427%0.266SS*.Hα-helixtrans-65.5-36.5177.6-63.9-35.8000111.9T137 A138D134-T137 PolarHBondContact O-N 3.05Å; D134-A138 WeakPolarHBondContact O-CB 3.39Å; D134-A138 PolarHBondContact O-N 3.32Å
135E95.6Very high90.4Very high52 Ų5251.3 Ų51.324%0.24328%0.278CS..Hα-helixtrans-67.6-43.6175.9-174.5176.513900111.3D132 H133 T137 A138 V139 K287D132-E135 PolarHBondContact O-N 2.83Å; H133-E135 VanDerWaalsContact C-N 3.33Å; H133-E135 PolarHBondContact O-N 2.95Å; E135-T137 VanDerWaalsContact C-N 3.3Å; E135-T137 PolarHBondContact O-N 3.44Å; E135-A138 PolarHBondContact O-N 2.84Å; E135-V139 WeakPolarHBondContact O-CB 3.42Å; E135-V139 WeakPolarHBondContact O-CG2 3.41Å; E135-V139 PolarHBondContact O-N 2.71Å; E135-K287 IonicContact OE1-NZ 2.86Å; E135-K287 PolarHBondContact OE1-NZ 2.68Å; E135-K287 IonicContact OE2-NZ 2.94Å; E135-K287 PolarHBondContact OE2-NZ 2.65Å
136M97.2Very high88.1Confident0 Ų055.4 Ų55.40%030%0.303CS..Hα-helixtrans-62.6-38.7173.6-170.568.8-15400111.8V95 I124 Y125 I128 D132 H133 V139 L140 F160 L162 L210V95-M136 HydrophobicContact CG1-CE 4.45Å; V95-M136 HydrophobicContact CG2-CE 4.27Å; I124-M136 HydrophobicContact CD1-CE 3.77Å; I124-M136 HydrophobicContact CD1-SD 4.08Å; I124-M136 HydrophobicContact CG2-CE 4.28Å; I124-M136 HydrophobicContact CG2-CG 4.07Å; Y125-M136 HydrophobicContact CE1-CB 4.05Å; Y125-M136 HydrophobicContact CE1-CG 4.2Å; I128-M136 HydrophobicContact CD1-CB 3.56Å; I128-M136 HydrophobicContact CD1-CG 3.89Å; D132-M136 PolarHBondContact O-N 2.98Å; H133-M136 PolarHBondContact O-N 3.05Å; M136-V139 PolarHBondContact O-N 3.38Å; M136-L140 HydrophobicContact CE-CD1 4Å; M136-L140 HydrophobicContact CE-CD2 3.88Å; M136-L140 HydrophobicContact CE-CG 3.82Å; M136-L140 HydrophobicContact CG-CD1 4.41Å; M136-L140 WeakPolarHBondContact O-CG 3.37Å; M136-L140 PolarHBondContact O-N 2.83Å; M136-F160 HydrophobicContact SD-CE2 3.92Å; M136-F160 HydrophobicContact SD-CZ 4.35Å; M136-L162 HydrophobicContact CB-CD2 4.35Å; M136-L162 HydrophobicContact SD-CD1 3.89Å; M136-L162 HydrophobicContact SD-CD2 4.16Å; M136-L210 HydrophobicContact CE-CD2 3.8Å
137T96.1Very high86.1Confident63 Ų6356.5 Ų56.539%0.38731%0.308SS..Hα-helixtrans-61.9-49.3175.6-54.60000110.4Y125 H133 D134 E135 V139 L140 T141Y125-T137 WeakPolarHBondContact OH-CA 3.46Å; Y125-T137 PolarHBondContact OH-N 3.19Å; Y125-T137 PolarHBondContact OH-OG1 2.72Å; Y125-T137 VanDerWaalsContact OH-OG1 3.12Å; H133-T137 WeakPolarHBondContact O-CB 3.49Å; H133-T137 PolarHBondContact O-N 3.29Å; H133-T137 PolarHBondContact O-OG1 3.28Å; D134-T137 PolarHBondContact O-N 3.05Å; E135-T137 VanDerWaalsContact C-N 3.3Å; E135-T137 PolarHBondContact O-N 3.44Å; T137-V139 VanDerWaalsContact C-N 3.33Å; T137-V139 PolarHBondContact O-N 3.11Å; T137-L140 PolarHBondContact O-N 2.86Å; T137-T141 WeakPolarHBondContact O-CG2 3.38Å; T137-T141 PolarHBondContact O-N 3.3Å; T137-T141 PolarHBondContact O-OG1 3.1Å
138A93.9Very high83.9Confident17 Ų1761.1 Ų61.114%0.1433%0.33CS..Hα-helixtrans-59.5-41.417700000112.4D134 E135 L140 T141 L480D134-A138 WeakPolarHBondContact O-CB 3.39Å; D134-A138 PolarHBondContact O-N 3.32Å; E135-A138 PolarHBondContact O-N 2.84Å; A138-L140 PolarHBondContact O-N 2.91Å; A138-T141 WeakPolarHBondContact CA-OG1 3.48Å; A138-T141 PolarHBondContact O-N 2.89Å; A138-T141 PolarHBondContact O-OG1 2.89Å; A138-L480 HydrophobicContact CB-CD1 4.32Å; A138-L480 WeakPolarHBondContact O-CD1 3.29Å
139V94.9Very high81.8Confident4 Ų468.3 Ų68.32%0.02436%0.363CS..Hα-helixtrans-59.9-42.2175.4161.40000112.4E135 M136 T137 T141 R158 F160 L210E135-V139 WeakPolarHBondContact O-CB 3.42Å; E135-V139 WeakPolarHBondContact O-CG2 3.41Å; E135-V139 PolarHBondContact O-N 2.71Å; M136-V139 PolarHBondContact O-N 3.38Å; T137-V139 VanDerWaalsContact C-N 3.33Å; T137-V139 PolarHBondContact O-N 3.11Å; V139-T141 VanDerWaalsContact C-N 3.31Å; V139-R158 HydrophobicContact CG1-CG 4.29Å; V139-R158 PolarHBondContact O-NE 2.91Å; V139-F160 HydrophobicContact CG1-CD1 4.1Å; V139-F160 HydrophobicContact CG1-CE1 3.66Å; V139-F160 HydrophobicContact CG1-CE2 4.18Å; V139-F160 HydrophobicContact CG1-CZ 3.71Å; V139-F160 HydrophobicContact CG2-CB 4.12Å; V139-F160 HydrophobicContact CG2-CD1 3.88Å; V139-F160 HydrophobicContact CG2-CD2 3.92Å; V139-F160 HydrophobicContact CG2-CE1 4.26Å; V139-F160 HydrophobicContact CG2-CE2 4.27Å; V139-F160 HydrophobicContact CG2-CG 3.72Å; V139-F160 HydrophobicContact CG2-CZ 4.45Å; V139-L210 HydrophobicContact CG1-CD1 4.18Å; V139-L210 HydrophobicContact CG1-CD2 4.01Å
140L94.1Very high79.8Confident9 Ų974.1 Ų74.15%0.04740%0.395CS..Hα-helixtrans-74.4-18.9177.7-68.9174.7000113.3V95 M136 T137 A138 I207 L210V95-L140 HydrophobicContact CB-CD2 4.16Å; V95-L140 HydrophobicContact CG1-CD1 4.36Å; V95-L140 HydrophobicContact CG1-CD2 4.16Å; M136-L140 HydrophobicContact CE-CD1 4Å; M136-L140 HydrophobicContact CE-CD2 3.88Å; M136-L140 HydrophobicContact CE-CG 3.82Å; M136-L140 HydrophobicContact CG-CD1 4.41Å; M136-L140 WeakPolarHBondContact O-CG 3.37Å; M136-L140 PolarHBondContact O-N 2.83Å; T137-L140 PolarHBondContact O-N 2.86Å; A138-L140 PolarHBondContact O-N 2.91Å; L140-I207 WeakPolarHBondContact O-CD1 3.49Å; L140-L210 HydrophobicContact CD2-CB 3.82Å; L140-L210 HydrophobicContact CD2-CD2 4.49Å
141T89.8Confident77.8Confident45 Ų4574.9 Ų74.928%0.27639%0.394SS..SBendtrans-84.3150.7174.657.50000113.3T137 A138 V139 H143 R158 L189T137-T141 WeakPolarHBondContact O-CG2 3.38Å; T137-T141 PolarHBondContact O-N 3.3Å; T137-T141 PolarHBondContact O-OG1 3.1Å; A138-T141 WeakPolarHBondContact CA-OG1 3.48Å; A138-T141 PolarHBondContact O-N 2.89Å; A138-T141 PolarHBondContact O-OG1 2.89Å; V139-T141 VanDerWaalsContact C-N 3.31Å; T141-H143 PolarHBondContact OG1-CE1 3.47Å; T141-R158 PolarHBondContact O-NH2 2.83Å; T141-L189 WeakPolarHBondContact O-CD2 3.39Å
142A80.6Confident76.5Confident31 Ų3178.7 Ų78.726%0.25640%0.402SS..  trans-97.8123.4166.800000109.1L189 I191 I207A142-L189 HydrophobicContact CB-CD2 4.41Å; A142-I191 HydrophobicContact CB-CD1 3.59Å; A142-I207 HydrophobicContact CB-CD1 3.79Å; A142-I207 HydrophobicContact CB-CG1 4.12Å
143H67.2Low75.4Confident62 Ų6282.1 Ų82.129%0.28742%0.418SS..  trans-106.7111.1167.7-65.6-27.3000107.8T141T141-H143 PolarHBondContact OG1-CE1 3.47Å
144Q59.3Low74.6Confident164 Ų16481.1 Ų81.177%0.76641%0.412SS*.  trans13.8115.5176.1-69-177.6-3900119.2
145P51.3Low74.3Confident40 Ų4078.7 Ų78.726%0.2640%0.396SS..  trans-80.6116.514516.8-0.1000109.4H147 Y154P145-H147 PolarHBondContact O-N 2.9Å; P145-Y154 HydrophobicContact CG-CE2 3.97Å; P145-Y154 VanDerWaalsContact CG-OH 3.22Å; P145-Y154 WeakPolarHBondContact CG-OH 3.1Å
146L50.6Low74Confident142 Ų14278 Ų7874%0.74339%0.394SS*.SBendtrans-71.1110164.9-72.3169.9000108.7
147H56.1Low73.8Confident136 Ų13684.7 Ų84.763%0.6343%0.425SS*.  trans56.197.2174.5-60.7-72.5000117.2P145 H149P145-H147 PolarHBondContact O-N 2.9Å; H147-H149 AromaticContact CE1-NE2 3.3Å; H147-H149 PolarHBondContact CE1-NE2 3.2Å; H147-H149 VanDerWaalsContact CE1-NE2 3.3Å; H147-H149 AromaticContact ND1-CD2 3.66Å; H147-H149 AromaticContact ND1-NE2 2.83Å; H147-H149 PolarHBondContact ND1-NE2 2.99Å
148H52.2Low73.8Confident108 Ų10882.1 Ų82.150%0.541%0.408SS..  trans-132.971.1158.8-87.751.6000110L150H148-L150 PolarHBondContact O-N 2.98Å
149H54.1Low73.8Confident154 Ų15484.7 Ų84.771%0.71343%0.426SS*.THydrogen-bonded Turntrans-73.415-171.3-74-61.2000116H147H147-H149 AromaticContact CE1-NE2 3.3Å; H147-H149 PolarHBondContact CE1-NE2 3.2Å; H147-H149 VanDerWaalsContact CE1-NE2 3.3Å; H147-H149 AromaticContact ND1-CD2 3.66Å; H147-H149 AromaticContact ND1-NE2 2.83Å; H147-H149 PolarHBondContact ND1-NE2 2.99Å
150L54.3Low73.9Confident166 Ų16685 Ų8587%0.86943%0.426SS*.THydrogen-bonded Turntrans-134.70-166.2-66174.9000115.7H148H148-L150 PolarHBondContact O-N 2.98Å
151L57.4Low74Confident98 Ų9885.2 Ų85.251%0.51343%0.427SS..  trans-125125.9-179.8-66.4177.9000111.5
152Q69Low74.3Confident168 Ų16883 Ų8379%0.78541%0.414SS*.SBendtrans-75.9-25.4179.6-171.4174.48.600112.9Q193Q152-Q193 PolarHBondContact O-N 2.92Å
153E74.8Confident75.1Confident72 Ų7283.3 Ų83.334%0.33641%0.408SS..EExtended strand (participates in β ladder)trans-139.7138.6175.7-167.1174.7-10800108.6K190 I191 R192E153-K190 VanDerWaalsContact CD-NZ 3.34Å; E153-K190 HydrophobicContact CG-CG 4.47Å; E153-K190 VanDerWaalsContact OE1-CE 3.3Å; E153-K190 WeakPolarHBondContact OE1-CE 3.44Å; E153-K190 IonicContact OE1-NZ 2.88Å; E153-K190 WeakPolarHBondContact OE2-CE 3.38Å; E153-K190 IonicContact OE2-NZ 3.54Å; E153-K190 PolarHBondContact OE2-NZ 3.13Å; E153-I191 WeakPolarHBondContact CA-O 3.31Å; E153-I191 WeakPolarHBondContact CG-O 3.45Å; E153-R192 HydrophobicContact CB-CG 4.41Å; E153-R192 HydrophobicContact CG-CG 3.98Å; E153-R192 WeakPolarHBondContact OE1-CG 3.5Å; E153-R192 IonicContact OE1-CZ 3.79Å; E153-R192 IonicContact OE1-NE 3.63Å; E153-R192 PolarHBondContact OE1-NE 2.94Å; E153-R192 IonicContact OE1-NH2 2.77Å; E153-R192 PolarHBondContact OE1-NH2 3.26Å
154Y82.2Confident76.6Confident31 Ų3180.4 Ų80.412%0.12240%0.395CS..EExtended strand (participates in β ladder)trans-147.6162.3176.469-84.4000111.3P145 I156 I191 Y205P145-Y154 HydrophobicContact CG-CE2 3.97Å; P145-Y154 VanDerWaalsContact CG-OH 3.22Å; P145-Y154 WeakPolarHBondContact CG-OH 3.1Å; Y154-I156 HydrophobicContact CD2-CG1 4.13Å; Y154-I156 HydrophobicContact CE2-CD1 4.04Å; Y154-I156 HydrophobicContact CE2-CG1 3.85Å; Y154-I191 HydrophobicContact CD1-CB 4.44Å; Y154-I191 HydrophobicContact CE1-CB 4.02Å; Y154-I191 HydrophobicContact CE1-CG2 3.74Å; Y154-I191 HydrophobicContact CE2-CB 4.2Å; Y154-I191 HydrophobicContact CE2-CD1 3.85Å; Y154-I191 HydrophobicContact CE2-CG2 4.49Å; Y154-I191 PolarHBondContact N-O 2.88Å; Y154-I191 PolarHBondContact O-N 3.18Å; Y154-Y205 AromaticContact CE1-CD1 3.71Å; Y154-Y205 HydrophobicContact CE1-CD1 3.71Å; Y154-Y205 AromaticContact CE1-CE1 3.64Å; Y154-Y205 HydrophobicContact CE1-CE1 3.64Å
155E88.9Confident78.4Confident90 Ų9076.2 Ų76.242%0.42137%0.374SS..EExtended strand (participates in β ladder)trans-129.1126.4-170.4-66.5-179.7168.300109.2Y188 L189 K190E155-Y188 HydrophobicContact CB-CD2 3.84Å; E155-Y188 HydrophobicContact CB-CG 4.09Å; E155-Y188 HydrophobicContact CG-CD2 3.67Å; E155-Y188 HydrophobicContact CG-CE2 3.93Å; E155-Y188 HydrophobicContact CG-CG 4.36Å; E155-Y188 VanDerWaalsContact OE1-CE2 3.23Å; E155-Y188 WeakPolarHBondContact OE1-CE2 3.5Å; E155-L189 WeakPolarHBondContact CA-O 3.12Å; E155-K190 HydrophobicContact CG-CB 4.42Å; E155-K190 HydrophobicContact CG-CG 4.12Å; E155-K190 IonicContact OE1-NZ 3.57Å; E155-K190 PolarHBondContact OE1-NZ 2.91Å
156I90.3Very high80.5Confident39 Ų3974.9 Ų74.920%0.237%0.366CS..EExtended strand (participates in β ladder)trans-104.2121.4177.4-42.3179.5000108.8Y154 R158 Y188 L189 I191Y154-I156 HydrophobicContact CD2-CG1 4.13Å; Y154-I156 HydrophobicContact CE2-CD1 4.04Å; Y154-I156 HydrophobicContact CE2-CG1 3.85Å; I156-R158 VanDerWaalsContact CG2-NH1 3.27Å; I156-Y188 CarbonylContact O-C 3.59Å; I156-Y188 VanDerWaalsContact O-CA 3.26Å; I156-Y188 WeakPolarHBondContact O-CA 3.3Å; I156-L189 PolarHBondContact N-O 3.15Å; I156-L189 PolarHBondContact O-N 3.02Å; I156-I191 HydrophobicContact CD1-CD1 3.55Å; I156-I191 HydrophobicContact CG1-CD1 3.96Å
157E93.7Very high82.7Confident139 Ų13972 Ų7265%0.6535%0.354SS*.EExtended strand (participates in β ladder)trans-55.9146.8176.9-65.5-171.5164.400112.7
158R94.5Very high84.4Confident9 Ų967.5 Ų67.53%0.03433%0.334CS..EExtended strand (participates in β ladder)trans-139.2125.6177.2-68.3-67.7179.3-105.612.8108.9V139 T141 I156 F160 S186 G187 L189 L210V139-R158 HydrophobicContact CG1-CG 4.29Å; V139-R158 PolarHBondContact O-NE 2.91Å; T141-R158 PolarHBondContact O-NH2 2.83Å; I156-R158 VanDerWaalsContact CG2-NH1 3.27Å; R158-F160 HydrophobicContact CB-CD1 4.31Å; R158-F160 HydrophobicContact CB-CE1 4.27Å; R158-S186 CarbonylContact O-C 3.43Å; R158-S186 WeakPolarHBondContact O-CA 3.23Å; R158-G187 PolarHBondContact N-O 2.89Å; R158-G187 PolarHBondContact O-N 2.95Å; R158-L189 HydrophobicContact CG-CB 4.21Å; R158-L210 HydrophobicContact CB-CD1 4Å; R158-L210 HydrophobicContact CG-CD1 3.94Å
159S94.9Very high85.9Confident72 Ų7265.5 Ų65.550%0.50334%0.336SS..EExtended strand (participates in β ladder)trans-141.8130.3162.4-167.10000111.4H184 C185S159-H184 PolarHBondContact OG-NE2 3.15Å; S159-C185 WeakPolarHBondContact CA-O 3.45Å; S159-C185 PolarHBondContact OG-O 3.27Å
160F95.9Very high87.1Confident9 Ų966.9 Ų66.94%0.03934%0.34CS..EExtended strand (participates in β ladder)trans-161.6176.1-164.261.7-75.6000109.9M136 V139 R158 L162 H184 C185 L210M136-F160 HydrophobicContact SD-CE2 3.92Å; M136-F160 HydrophobicContact SD-CZ 4.35Å; V139-F160 HydrophobicContact CG1-CD1 4.1Å; V139-F160 HydrophobicContact CG1-CE1 3.66Å; V139-F160 HydrophobicContact CG1-CE2 4.18Å; V139-F160 HydrophobicContact CG1-CZ 3.71Å; V139-F160 HydrophobicContact CG2-CB 4.12Å; V139-F160 HydrophobicContact CG2-CD1 3.88Å; V139-F160 HydrophobicContact CG2-CD2 3.92Å; V139-F160 HydrophobicContact CG2-CE1 4.26Å; V139-F160 HydrophobicContact CG2-CE2 4.27Å; V139-F160 HydrophobicContact CG2-CG 3.72Å; V139-F160 HydrophobicContact CG2-CZ 4.45Å; R158-F160 HydrophobicContact CB-CD1 4.31Å; R158-F160 HydrophobicContact CB-CE1 4.27Å; F160-L162 HydrophobicContact CD2-CD2 4.24Å; F160-L162 HydrophobicContact CD2-CG 3.98Å; F160-L162 HydrophobicContact CE2-CD1 3.71Å; F160-L162 HydrophobicContact CE2-CD2 4.08Å; F160-L162 HydrophobicContact CE2-CG 3.66Å; F160-H184 PolarHBondContact O-CD2 3.04Å; F160-C185 HydrophobicContact CD1-CB 3.78Å; F160-C185 HydrophobicContact CD2-CB 4.06Å; F160-C185 HydrophobicContact CE1-CB 3.4Å; F160-C185 HydrophobicContact CE2-CB 3.73Å; F160-C185 HydrophobicContact CG-CB 4.08Å; F160-C185 HydrophobicContact CZ-CB 3.36Å; F160-C185 PolarHBondContact N-O 3.26Å; F160-C185 VanDerWaalsContact N-O 3.07Å; F160-C185 PolarHBondContact O-N 2.9Å; F160-L210 HydrophobicContact CE1-CD2 4.27Å; F160-L210 HydrophobicContact CZ-CD2 3.9Å
161F96.9Very high88.1Confident14 Ų1470 Ų706%0.06134%0.34CS..EExtended strand (participates in β ladder)trans-129.4130.6-178.5-67.3-95.2000110.9V182 I183 H184 L217 L283 K287 V290 T291F161-V182 HydrophobicContact CB-CG1 4.48Å; F161-V182 HydrophobicContact CD1-CG1 4.09Å; F161-I183 WeakPolarHBondContact CA-O 3.4Å; F161-H184 HydrophobicContact CD1-CB 3.95Å; F161-H184 HydrophobicContact CE1-CB 3.62Å; F161-H184 AromaticContact CE1-CD2 3.58Å; F161-H184 AromaticContact CE1-CG 3.69Å; F161-H184 AromaticContact CE2-CD2 3.96Å; F161-H184 HydrophobicContact CZ-CB 4.4Å; F161-H184 AromaticContact CZ-CD2 3.5Å; F161-H184 VanDerWaalsContact CZ-CD2 3.5Å; F161-H184 WeakPolarHBondContact CZ-CD2 3.5Å; F161-H184 AromaticContact CZ-CG 3.96Å; F161-L217 HydrophobicContact CD1-CD1 4.34Å; F161-L217 HydrophobicContact CE1-CD1 4.15Å; F161-L217 HydrophobicContact CE1-CD2 4.46Å; F161-L283 HydrophobicContact CD2-CD1 3.85Å; F161-L283 HydrophobicContact CE2-CD1 4.11Å; F161-K287 HydrophobicContact CB-CD 4.1Å; F161-K287 PolarHBondContact O-NZ 2.9Å; F161-V290 HydrophobicContact CE1-CG2 4.34Å; F161-V290 HydrophobicContact CE2-CG2 3.92Å; F161-V290 HydrophobicContact CZ-CG2 3.84Å; F161-T291 WeakPolarHBondContact CZ-O 3.26Å
162L96.8Very high88.8Confident0 Ų070.7 Ų70.70%035%0.345CS..EExtended strand (participates in β ladder)trans-115.8140.1175.9-68173.8000111I124 I128 D132 M136 F160 M164 I183I124-L162 HydrophobicContact CD1-CD1 4.47Å; I128-L162 HydrophobicContact CD1-CD2 4.3Å; I128-L162 HydrophobicContact CG2-CB 4.29Å; I128-L162 HydrophobicContact CG2-CD1 3.83Å; I128-L162 HydrophobicContact CG2-CD2 4.16Å; I128-L162 HydrophobicContact CG2-CG 4.33Å; D132-L162 HydrophobicContact CB-CD2 4.2Å; M136-L162 HydrophobicContact CB-CD2 4.35Å; M136-L162 HydrophobicContact SD-CD1 3.89Å; M136-L162 HydrophobicContact SD-CD2 4.16Å; F160-L162 HydrophobicContact CD2-CD2 4.24Å; F160-L162 HydrophobicContact CD2-CG 3.98Å; F160-L162 HydrophobicContact CE2-CD1 3.71Å; F160-L162 HydrophobicContact CE2-CD2 4.08Å; F160-L162 HydrophobicContact CE2-CG 3.66Å; L162-M164 HydrophobicContact CB-CG 3.86Å; L162-M164 HydrophobicContact CD1-CG 4.48Å; L162-M164 HydrophobicContact CD1-SD 4.46Å; L162-M164 PolarHBondContact O-N 2.92Å; L162-I183 PolarHBondContact N-O 2.81Å; L162-I183 PolarHBondContact O-N 3.33Å
163R97.5Very high89.2Confident37 Ų3762.7 Ų62.714%0.1431%0.308CS..EExtended strand (participates in β ladder)trans-85100160.3-68.7168.7-74.1-166.7-6.9108.2I128 H129 D132 Y180 K181 V182 V286 K287I128-R163 WeakPolarHBondContact CA-O 3.26Å; H129-R163 HydrophobicContact CB-CB 3.65Å; H129-R163 PolarHBondContact N-O 2.91Å; D132-R163 IonicContact OD1-CZ 3.59Å; D132-R163 IonicContact OD1-NE 2.68Å; D132-R163 PolarHBondContact OD1-NE 3.08Å; D132-R163 IonicContact OD1-NH2 3.09Å; D132-R163 PolarHBondContact OD1-NH2 2.86Å; D132-R163 VanDerWaalsContact OD2-CB 3.26Å; D132-R163 WeakPolarHBondContact OD2-CB 3.41Å; D132-R163 IonicContact OD2-CZ 2.72Å; D132-R163 PolarHBondContact OD2-N 2.84Å; D132-R163 IonicContact OD2-NE 2.92Å; D132-R163 PolarHBondContact OD2-NE 2.83Å; D132-R163 IonicContact OD2-NH2 2.67Å; R163-Y180 WeakPolarHBondContact O-CD1 3.13Å; R163-K181 CarbonylContact C-O 3.48Å; R163-K181 WeakPolarHBondContact CA-O 3.38Å; R163-V182 HydrophobicContact CG-CG2 4.31Å; R163-V286 PolarHBondContact NH1-O 3.02Å; R163-K287 HydrophobicContact CG-CB 4.43Å
164M97.8Very high89.5Confident1 Ų160 Ų601%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-95141.3179.6-60.5-165.874.100111.2F91 L112 Y127 I128 L162 C166 Y180 K181 I183F91-M164 HydrophobicContact CE2-SD 4.28Å; F91-M164 HydrophobicContact CZ-SD 3.78Å; L112-M164 HydrophobicContact CD1-CB 4.02Å; L112-M164 HydrophobicContact CD1-CE 4.1Å; L112-M164 HydrophobicContact CD1-SD 4.16Å; L112-M164 HydrophobicContact CD2-CB 3.95Å; Y127-M164 CarbonylContact O-C 3.45Å; Y127-M164 WeakPolarHBondContact O-CA 3.23Å; I128-M164 HydrophobicContact CG2-CG 4.14Å; L162-M164 HydrophobicContact CB-CG 3.86Å; L162-M164 HydrophobicContact CD1-CG 4.48Å; L162-M164 HydrophobicContact CD1-SD 4.46Å; L162-M164 PolarHBondContact O-N 2.92Å; M164-C166 PolarHBondContact O-N 3.24Å; M164-Y180 CarbonylContact O-C 3.51Å; M164-Y180 VanDerWaalsContact O-CA 3.26Å; M164-Y180 WeakPolarHBondContact O-CA 3.46Å; M164-K181 PolarHBondContact N-O 2.99Å; M164-K181 PolarHBondContact O-N 3.22Å; M164-I183 HydrophobicContact CB-CG1 3.99Å; M164-I183 HydrophobicContact CG-CB 4.24Å; M164-I183 HydrophobicContact CG-CG1 3.87Å; M164-I183 HydrophobicContact SD-CB 4.17Å; M164-I183 HydrophobicContact SD-CG1 3.91Å; M164-I183 HydrophobicContact SD-CG2 4.3Å
165K97.6Very high89.5Confident76 Ų7661.6 Ų61.633%0.3331%0.309SS..EExtended strand (participates in β ladder)trans-56.3130.6177.2-179-173.9176.8-167.30109.9L114 Y127 Y180L114-K165 HydrophobicContact CD1-CB 4.32Å; L114-K165 WeakPolarHBondContact CD1-O 3.16Å; Y127-K165 HydrophobicContact CD1-CD 4.46Å; Y127-K165 PolarHBondContact O-N 3.15Å; K165-Y180 HydrophobicContact CB-CD1 4.37Å; K165-Y180 HydrophobicContact CB-CE1 4.24Å
166C95.6Very high89.4Confident12 Ų1260.1 Ų60.18%0.08131%0.307CS..  trans-129.9120.9-177.7-175.10000109.7L112 M164 T176 G179 K181L112-C166 HydrophobicContact CD2-CB 4.35Å; L112-C166 CarbonylContact O-C 3.54Å; L112-C166 WeakPolarHBondContact O-CA 3.41Å; M164-C166 PolarHBondContact O-N 3.24Å; C166-T176 HydrophobicContact CB-CG2 4.09Å; C166-G179 PolarHBondContact N-O 3.48Å; C166-K181 HydrophobicContact CB-CB 3.87Å
167V95.6Very high89.2Confident82 Ų8262.2 Ų62.250%0.49732%0.323SS..  trans-107.74.6-178.8-59.90000112.9L112 G113 L114L112-V167 PolarHBondContact O-N 2.83Å; G113-V167 VanDerWaalsContact C-CG2 3.4Å; G113-V167 VanDerWaalsContact O-CG2 3.28Å; G113-V167 WeakPolarHBondContact O-CG2 3.49Å; L114-V167 HydrophobicContact CD2-CB 4.5Å; L114-V167 HydrophobicContact CD2-CG1 3.88Å; L114-V167 HydrophobicContact CD2-CG2 3.78Å; L114-V167 HydrophobicContact CG-CG2 4.29Å
168L91.6Very high89Confident40 Ų4060.9 Ų60.921%0.20933%0.329CS..SBendtrans-62144172.5-68169.6000111.1V110 H111 A173V110-L168 WeakPolarHBondContact O-CD1 3.43Å; H111-L168 WeakPolarHBondContact O-CD1 3.47Å; L168-A173 HydrophobicContact CB-CB 3.71Å
169A84.9Confident88.8Confident67 Ų6762.1 Ų62.155%0.55435%0.346SS*.  trans-60143.5169.500000110.5R171 N172 A173A169-R171 PolarHBondContact O-N 2.95Å; A169-N172 PolarHBondContact O-N 2.81Å; A169-A173 PolarHBondContact O-N 2.75Å
170K78.4Confident88.8Confident183 Ų18361.6 Ų61.680%0.79633%0.333SS*.Hα-helixtrans-49.5-26.6-173.1-174174.2179178.10116
171R75.8Confident88.7Confident230 Ų23061.6 Ų61.687%0.86833%0.333SS*.Hα-helixtrans-72.1-26.7175.6-71.3-173.4-75.4133.5-6.1113.9A169A169-R171 PolarHBondContact O-N 2.95Å
172N72.8Confident88.7Confident113 Ų11361.3 Ų61.360%0.60433%0.332SS*.Hα-helixtrans-110.2-26.7-175.4-58.622.6000111.6A169 G174A169-N172 PolarHBondContact O-N 2.81Å; N172-G174 PolarHBondContact O-N 3.11Å
173A76.4Confident88.6Confident1 Ų161.3 Ų61.31%0.00833%0.332CS..Hα-helixtrans-62.3-28177.800000113.3L168 A169 T176 K181L168-A173 HydrophobicContact CB-CB 3.71Å; A169-A173 PolarHBondContact O-N 2.75Å; A173-T176 HydrophobicContact CB-CG2 3.78Å; A173-K181 WeakPolarHBondContact O-CE 3.32Å; A173-K181 PolarHBondContact O-NZ 2.85Å
174G80.7Confident88.6Confident15 Ų1561.1 Ų61.116%0.15533%0.333CS..  trans72-136.9-164.600000110.9N172 P219N172-G174 PolarHBondContact O-N 3.11Å; G174-P219 VanDerWaalsContact CA-CB 3.47Å; G174-P219 WeakPolarHBondContact CA-O 3.47Å
175L82.8Confident88.6Confident64 Ų6461 Ų6134%0.33533%0.332SS..SBendtrans-84.6123.2178.9-61.5175.9000111.1T312L175-T312 HydrophobicContact CD1-CG2 3.45Å; L175-T312 VanDerWaalsContact CD1-CG2 3.45Å
176T87.6Confident88.5Confident60 Ų6059.7 Ų59.737%0.36833%0.332SS..  trans-138.4141.3177.457.80000110.9C166 A173 Y180 K181C166-T176 HydrophobicContact CB-CG2 4.09Å; A173-T176 HydrophobicContact CB-CG2 3.78Å; T176-Y180 CarbonylContact C-O 3.56Å; T176-Y180 WeakPolarHBondContact CA-O 3.38Å; T176-Y180 VanDerWaalsContact CB-O 3.32Å; T176-Y180 WeakPolarHBondContact CB-O 3.37Å; T176-K181 HydrophobicContact CG2-CB 4.15Å
177C85.8Confident88.5Confident82 Ų8260.4 Ų60.455%0.55434%0.342SS*.BIsolated β-bridgetrans-115.6127.4171.5-166.40000109.6G179 Y180C177-G179 PolarHBondContact O-N 3.01Å; C177-Y180 PolarHBondContact N-O 3.22Å; C177-Y180 PolarHBondContact O-N 2.83Å
178S88.1Confident88.4Confident111 Ų11159.6 Ų59.678%0.77633%0.33SS*.THydrogen-bonded Turntrans49.732.7179.1-56.70000115.7Y180S178-Y180 WeakPolarHBondContact O-CD2 3.45Å
179G91.9Very high88.5Confident36 Ų3657.7 Ų57.737%0.37132%0.32SS..THydrogen-bonded Turntrans83.411.3-177.100000115.2C166 C177C166-G179 PolarHBondContact N-O 3.48Å; C177-G179 PolarHBondContact O-N 3.01Å
180Y94.8Very high88.7Confident61 Ų6155.4 Ų55.424%0.23930%0.298CS..EExtended strand (participates in β ladder)trans-117146.4174.6-60.7-96.3000111.6H129 R163 M164 K165 T176 C177 S178H129-Y180 HydrophobicContact CB-CD1 3.89Å; H129-Y180 HydrophobicContact CB-CE1 3.92Å; H129-Y180 HydrophobicContact CB-CG 4.33Å; H129-Y180 AromaticContact CD2-CD2 3.87Å; H129-Y180 AromaticContact CD2-CE2 3.82Å; R163-Y180 WeakPolarHBondContact O-CD1 3.13Å; M164-Y180 CarbonylContact O-C 3.51Å; M164-Y180 VanDerWaalsContact O-CA 3.26Å; M164-Y180 WeakPolarHBondContact O-CA 3.46Å; K165-Y180 HydrophobicContact CB-CD1 4.37Å; K165-Y180 HydrophobicContact CB-CE1 4.24Å; T176-Y180 CarbonylContact C-O 3.56Å; T176-Y180 WeakPolarHBondContact CA-O 3.38Å; T176-Y180 VanDerWaalsContact CB-O 3.32Å; T176-Y180 WeakPolarHBondContact CB-O 3.37Å; C177-Y180 PolarHBondContact N-O 3.22Å; C177-Y180 PolarHBondContact O-N 2.83Å; S178-Y180 WeakPolarHBondContact O-CD2 3.45Å
181K94.1Very high89.1Confident9 Ų946.7 Ų46.74%0.03926%0.26CS..EExtended strand (participates in β ladder)trans-114.4142.1176.4-168.9-178.4-169.5-175.60109.5H111 L112 R163 M164 C166 A173 T176 I183 S216H111-K181 WeakPolarHBondContact O-CD 3.42Å; H111-K181 PolarHBondContact O-NZ 3.39Å; L112-K181 HydrophobicContact CD2-CB 4.26Å; L112-K181 HydrophobicContact CD2-CD 4.3Å; R163-K181 CarbonylContact C-O 3.48Å; R163-K181 WeakPolarHBondContact CA-O 3.38Å; M164-K181 PolarHBondContact N-O 2.99Å; M164-K181 PolarHBondContact O-N 3.22Å; C166-K181 HydrophobicContact CB-CB 3.87Å; A173-K181 WeakPolarHBondContact O-CE 3.32Å; A173-K181 PolarHBondContact O-NZ 2.85Å; T176-K181 HydrophobicContact CG2-CB 4.15Å; K181-I183 HydrophobicContact CD-CD1 4.13Å; K181-I183 HydrophobicContact CG-CD1 4.35Å; K181-I183 PolarHBondContact O-N 2.82Å; K181-S216 WeakPolarHBondContact CE-OG 3.48Å; K181-S216 PolarHBondContact NZ-OG 2.83Å
182V95Very high89.4Confident8 Ų838 Ų385%0.04823%0.227CC..EExtended strand (participates in β ladder)trans-79.7121174-173.90000109.4F161 R163 L217 K287 Q289F161-V182 HydrophobicContact CB-CG1 4.48Å; F161-V182 HydrophobicContact CD1-CG1 4.09Å; R163-V182 HydrophobicContact CG-CG2 4.31Å; V182-L217 HydrophobicContact CB-CD1 4.17Å; V182-L217 HydrophobicContact CG1-CD1 3.71Å; V182-K287 HydrophobicContact CG2-CB 4.45Å; V182-K287 WeakPolarHBondContact CG2-O 3.48Å; V182-Q289 HydrophobicContact CB-CB 4.06Å; V182-Q289 HydrophobicContact CB-CG 4.46Å; V182-Q289 HydrophobicContact CG1-CB 4.26Å; V182-Q289 HydrophobicContact CG2-CB 4.04Å; V182-Q289 HydrophobicContact CG2-CG 4.21Å
183I96.4Very high89.4Confident0 Ų033.4 Ų33.40%020%0.202CC..EExtended strand (participates in β ladder)trans-110130.4174.7-58.4-56.4000108F91 L112 F161 L162 M164 K181 G214 Q215F91-I183 HydrophobicContact CE1-CD1 4.22Å; F91-I183 HydrophobicContact CE1-CG1 4.49Å; F91-I183 HydrophobicContact CE1-CG2 4.36Å; F91-I183 HydrophobicContact CZ-CG1 4.37Å; F91-I183 HydrophobicContact CZ-CG2 3.99Å; L112-I183 HydrophobicContact CD2-CD1 4Å; L112-I183 HydrophobicContact CD2-CG1 4.17Å; F161-I183 WeakPolarHBondContact CA-O 3.4Å; L162-I183 PolarHBondContact N-O 2.81Å; L162-I183 PolarHBondContact O-N 3.33Å; M164-I183 HydrophobicContact CB-CG1 3.99Å; M164-I183 HydrophobicContact CG-CB 4.24Å; M164-I183 HydrophobicContact CG-CG1 3.87Å; M164-I183 HydrophobicContact SD-CB 4.17Å; M164-I183 HydrophobicContact SD-CG1 3.91Å; M164-I183 HydrophobicContact SD-CG2 4.3Å; K181-I183 HydrophobicContact CD-CD1 4.13Å; K181-I183 HydrophobicContact CG-CD1 4.35Å; K181-I183 PolarHBondContact O-N 2.82Å; I183-G214 VanDerWaalsContact CG2-CA 3.5Å; I183-Q215 WeakPolarHBondContact CA-O 3.43Å
184H96.3Very high89Confident32 Ų3239.1 Ų39.115%0.14822%0.224CC..EExtended strand (participates in β ladder)trans-85.7122.8167.7-180-146.3000108.2S159 F160 F161 G214 Q215 L217S159-H184 PolarHBondContact OG-NE2 3.15Å; F160-H184 PolarHBondContact O-CD2 3.04Å; F161-H184 HydrophobicContact CD1-CB 3.95Å; F161-H184 HydrophobicContact CE1-CB 3.62Å; F161-H184 AromaticContact CE1-CD2 3.58Å; F161-H184 AromaticContact CE1-CG 3.69Å; F161-H184 AromaticContact CE2-CD2 3.96Å; F161-H184 HydrophobicContact CZ-CB 4.4Å; F161-H184 AromaticContact CZ-CD2 3.5Å; F161-H184 VanDerWaalsContact CZ-CD2 3.5Å; F161-H184 WeakPolarHBondContact CZ-CD2 3.5Å; F161-H184 AromaticContact CZ-CG 3.96Å; H184-G214 WeakPolarHBondContact O-CA 3.45Å; H184-Q215 PolarHBondContact N-O 3.38Å; H184-Q215 PolarHBondContact O-N 2.83Å; H184-L217 HydrophobicContact CB-CD2 3.97Å
185C97.5Very high87.8Confident0 Ų046 Ų460%026%0.255CS..EExtended strand (participates in β ladder)trans-104.8134.9178.8-63.70000110F93 S159 F160 V213F93-C185 HydrophobicContact CZ-CB 4.42Å; S159-C185 WeakPolarHBondContact CA-O 3.45Å; S159-C185 PolarHBondContact OG-O 3.27Å; F160-C185 HydrophobicContact CD1-CB 3.78Å; F160-C185 HydrophobicContact CD2-CB 4.06Å; F160-C185 HydrophobicContact CE1-CB 3.4Å; F160-C185 HydrophobicContact CE2-CB 3.73Å; F160-C185 HydrophobicContact CG-CB 4.08Å; F160-C185 HydrophobicContact CZ-CB 3.36Å; F160-C185 PolarHBondContact N-O 3.26Å; F160-C185 VanDerWaalsContact N-O 3.07Å; F160-C185 PolarHBondContact O-N 2.9Å; C185-V213 WeakPolarHBondContact CA-O 3.11Å
186S96.4Very high86.5Confident47 Ų4749.9 Ų49.933%0.32928%0.275SS..EExtended strand (participates in β ladder)trans-142.6140.7175.557.40000110.7R158 A212 V213R158-S186 CarbonylContact O-C 3.43Å; R158-S186 WeakPolarHBondContact O-CA 3.23Å; S186-A212 CarbonylContact O-C 3.59Å; S186-A212 VanDerWaalsContact O-CA 3.28Å; S186-A212 WeakPolarHBondContact O-CA 3.49Å; S186-A212 WeakPolarHBondContact O-CB 3.38Å; S186-V213 PolarHBondContact N-O 3.41Å; S186-V213 PolarHBondContact O-N 3.48Å
187G95.9Very high84.7Confident27 Ų2753.9 Ų53.928%0.27829%0.294SS..EExtended strand (participates in β ladder)trans160.1-149.4-175.600000112.5R158 V211R158-G187 PolarHBondContact N-O 2.89Å; R158-G187 PolarHBondContact O-N 2.95Å; G187-V211 CarbonylContact C-O 3.23Å; G187-V211 VanDerWaalsContact CA-O 3.29Å; G187-V211 WeakPolarHBondContact CA-O 3.32Å
188Y93.9Very high83.1Confident66 Ų6657.6 Ų57.626%0.25931%0.305SS..EExtended strand (participates in β ladder)trans-144.8149.7-177.358.3-96.3000113.4E155 I156 K190 V211E155-Y188 HydrophobicContact CB-CD2 3.84Å; E155-Y188 HydrophobicContact CB-CG 4.09Å; E155-Y188 HydrophobicContact CG-CD2 3.67Å; E155-Y188 HydrophobicContact CG-CE2 3.93Å; E155-Y188 HydrophobicContact CG-CG 4.36Å; E155-Y188 VanDerWaalsContact OE1-CE2 3.23Å; E155-Y188 WeakPolarHBondContact OE1-CE2 3.5Å; I156-Y188 CarbonylContact O-C 3.59Å; I156-Y188 VanDerWaalsContact O-CA 3.26Å; I156-Y188 WeakPolarHBondContact O-CA 3.3Å; Y188-K190 HydrophobicContact CD2-CB 4.15Å; Y188-K190 HydrophobicContact CE2-CB 4.07Å; Y188-K190 HydrophobicContact CE2-CD 4.32Å; Y188-K190 HydrophobicContact CE2-CG 4.45Å; Y188-V211 HydrophobicContact CD2-CB 4.19Å; Y188-V211 HydrophobicContact CD2-CG2 4.26Å; Y188-V211 HydrophobicContact CE1-CB 4.17Å; Y188-V211 HydrophobicContact CE1-CG1 4.29Å; Y188-V211 HydrophobicContact CE2-CB 3.71Å; Y188-V211 HydrophobicContact CE2-CG1 4.43Å; Y188-V211 HydrophobicContact CE2-CG2 3.55Å; Y188-V211 PolarHBondContact N-O 3.01Å; Y188-V211 PolarHBondContact O-N 3.38Å
189L92.5Very high81.2Confident0 Ų057.6 Ų57.60%031%0.305CS..EExtended strand (participates in β ladder)trans-90.5114.4168-169.272000108.5T141 A142 E155 I156 R158 I191 I207 L210T141-L189 WeakPolarHBondContact O-CD2 3.39Å; A142-L189 HydrophobicContact CB-CD2 4.41Å; E155-L189 WeakPolarHBondContact CA-O 3.12Å; I156-L189 PolarHBondContact N-O 3.15Å; I156-L189 PolarHBondContact O-N 3.02Å; R158-L189 HydrophobicContact CG-CB 4.21Å; L189-I191 HydrophobicContact CD2-CD1 4.33Å; L189-I191 HydrophobicContact CG-CG1 4.47Å; L189-I207 HydrophobicContact CD1-CG2 3.7Å; L189-I207 HydrophobicContact CD2-CG2 4.07Å; L189-I207 HydrophobicContact CG-CG2 3.92Å; L189-L210 HydrophobicContact CD1-CB 4.18Å
190K89Confident79.3Confident18 Ų1863.5 Ų63.58%0.07833%0.327CS..EExtended strand (participates in β ladder)trans-87.8127.9-177.5-166.7173.3-177.775.10110.5E153 E155 Y188 V208 G209E153-K190 VanDerWaalsContact CD-NZ 3.34Å; E153-K190 HydrophobicContact CG-CG 4.47Å; E153-K190 VanDerWaalsContact OE1-CE 3.3Å; E153-K190 WeakPolarHBondContact OE1-CE 3.44Å; E153-K190 IonicContact OE1-NZ 2.88Å; E153-K190 WeakPolarHBondContact OE2-CE 3.38Å; E153-K190 IonicContact OE2-NZ 3.54Å; E153-K190 PolarHBondContact OE2-NZ 3.13Å; E155-K190 HydrophobicContact CG-CB 4.42Å; E155-K190 HydrophobicContact CG-CG 4.12Å; E155-K190 IonicContact OE1-NZ 3.57Å; E155-K190 PolarHBondContact OE1-NZ 2.91Å; Y188-K190 HydrophobicContact CD2-CB 4.15Å; Y188-K190 HydrophobicContact CE2-CB 4.07Å; Y188-K190 HydrophobicContact CE2-CD 4.32Å; Y188-K190 HydrophobicContact CE2-CG 4.45Å; K190-V208 HydrophobicContact CB-CB 4.46Å; K190-V208 WeakPolarHBondContact O-CB 3.28Å; K190-V208 PolarHBondContact O-N 2.84Å; K190-G209 PolarHBondContact N-O 2.97Å; K190-G209 PolarHBondContact O-N 3.22Å
191I86.2Confident77.1Confident0 Ų072.5 Ų72.50%036%0.363CS..EExtended strand (participates in β ladder)trans-131.9133.2-172.8-56.8176.9000110.1A142 E153 Y154 I156 L189 Y205 Q206A142-I191 HydrophobicContact CB-CD1 3.59Å; E153-I191 WeakPolarHBondContact CA-O 3.31Å; E153-I191 WeakPolarHBondContact CG-O 3.45Å; Y154-I191 HydrophobicContact CD1-CB 4.44Å; Y154-I191 HydrophobicContact CE1-CB 4.02Å; Y154-I191 HydrophobicContact CE1-CG2 3.74Å; Y154-I191 HydrophobicContact CE2-CB 4.2Å; Y154-I191 HydrophobicContact CE2-CD1 3.85Å; Y154-I191 HydrophobicContact CE2-CG2 4.49Å; Y154-I191 PolarHBondContact N-O 2.88Å; Y154-I191 PolarHBondContact O-N 3.18Å; I156-I191 HydrophobicContact CD1-CD1 3.55Å; I156-I191 HydrophobicContact CG1-CD1 3.96Å; L189-I191 HydrophobicContact CD2-CD1 4.33Å; L189-I191 HydrophobicContact CG-CG1 4.47Å; I191-Y205 HydrophobicContact CG2-CD1 4.09Å; I191-Y205 HydrophobicContact CG2-CG 4.31Å; I191-Q206 WeakPolarHBondContact CA-O 3.5Å
192R82.6Confident75Confident47 Ų4779.2 Ų79.218%0.17740%0.399CS..EExtended strand (participates in β ladder)trans-103.1134.7170.7-76.9171-177.6150.513.6109.7A54 V55 E153 Y194 Y205 Q206 V208A54-R192 PolarHBondContact O-NH1 2.86Å; V55-R192 PolarHBondContact O-NH2 3.47Å; E153-R192 HydrophobicContact CB-CG 4.41Å; E153-R192 HydrophobicContact CG-CG 3.98Å; E153-R192 WeakPolarHBondContact OE1-CG 3.5Å; E153-R192 IonicContact OE1-CZ 3.79Å; E153-R192 IonicContact OE1-NE 3.63Å; E153-R192 PolarHBondContact OE1-NE 2.94Å; E153-R192 IonicContact OE1-NH2 2.77Å; E153-R192 PolarHBondContact OE1-NH2 3.26Å; R192-Y194 HydrophobicContact CB-CE2 4.1Å; R192-Y205 CarbonylContact O-C 3.59Å; R192-Y205 WeakPolarHBondContact O-CA 3.45Å; R192-Q206 PolarHBondContact N-O 3.35Å; R192-Q206 PolarHBondContact O-N 2.81Å; R192-V208 HydrophobicContact CB-CG2 4.09Å; R192-V208 HydrophobicContact CG-CG2 3.72Å
193Q73.7Confident73.1Confident18 Ų1880.6 Ų80.68%0.08441%0.409CS..EExtended strand (participates in β ladder)trans-91.3128.5168.3-175.8170-29.400109.2Q152 M195 Y205Q152-Q193 PolarHBondContact O-N 2.92Å; Q193-M195 PolarHBondContact NE2-SD 3.01Å; Q193-Y205 HydrophobicContact CB-CD1 3.84Å; Q193-Y205 HydrophobicContact CB-CE1 3.73Å; Q193-Y205 HydrophobicContact CG-CD1 4.02Å; Q193-Y205 HydrophobicContact CG-CE1 3.66Å; Q193-Y205 PolarHBondContact OE1-OH 3.18Å
194Y66.8Low71.6Confident120 Ų12083.2 Ų83.247%0.47143%0.426SS..PPolyproline II helixtrans-99.2135.7164.6-69.7-90.5000109R192 C204 Q206R192-Y194 HydrophobicContact CB-CE2 4.1Å; Y194-C204 PolarHBondContact N-O 3.48Å; Y194-C204 PolarHBondContact O-SG 2.84Å; Y194-Q206 HydrophobicContact CD2-CB 4.1Å; Y194-Q206 HydrophobicContact CE2-CB 3.7Å; Y194-Q206 PolarHBondContact OH-OE1 2.88Å
195M57.2Low70.6Confident161 Ų16185 Ų8579%0.79343%0.432SS*.  trans-91104.9162.9-70.3-59.4-60.900106.9Q193Q193-M195 PolarHBondContact NE2-SD 3.01Å
196L55.1Low69.9Low145 Ų14589.3 Ų89.376%0.75945%0.453SS*.  trans-81.2141.6167.7-156.373.2000108.9
197D49.2Very low69.4Low144 Ų14488.8 Ų88.877%0.7745%0.446SS*.  trans-71.1133.2-175.3-161.46.8000111.9
198M52.5Low69Low159 Ų15988.3 Ų88.378%0.78344%0.437SS*.SBendtrans19.4104.8169.1-15770.366.400119
199S48.2Very low68.9Low111 Ų11185.1 Ų85.178%0.77643%0.425SS*.SBend175.3-26.3129.642.30000117.4
200L51.4Low69Low160 Ų16085.1 Ų85.184%0.83843%0.425SS*.  trans-129.9148.3-173.7-70.2175.6000113.8D202L200-D202 VanDerWaalsContact C-N 3.34Å; L200-D202 PolarHBondContact O-N 2.89Å
201Y50Low69.3Low251 Ų25185.2 Ų85.298%0.98443%0.427SS*.SBendtrans-77.470-175.7-87.1-98000112.8
202D50Low69.8Low150 Ų15085.4 Ų85.480%0.80243%0.428SS*.  trans-147123.6161.4-144.2-11.8000111.7L200 C204L200-D202 VanDerWaalsContact C-N 3.34Å; L200-D202 PolarHBondContact O-N 2.89Å; D202-C204 PolarHBondContact O-N 3.42Å
203S53.6Low70.5Confident37 Ų3785.1 Ų85.126%0.25943%0.432SS..  trans-77.1106.2179.3-66.80000109Y205S203-Y205 WeakPolarHBondContact O-CD2 3.41Å; S203-Y205 WeakPolarHBondContact O-CE2 3.26Å; S203-Y205 PolarHBondContact O-N 3.12Å
204C66.6Low71.6Confident54 Ų5484.3 Ų84.337%0.36543%0.428SS..  trans-7692.6-175.256.50000112.4Y194 D202Y194-C204 PolarHBondContact N-O 3.48Å; Y194-C204 PolarHBondContact O-SG 2.84Å; D202-C204 PolarHBondContact O-N 3.42Å
205Y74.7Confident72.9Confident70 Ų7081.7 Ų81.728%0.27542%0.42SS..EExtended strand (participates in β ladder)trans-84131.2174.3-61.6-69.3000111.9Y154 I191 R192 Q193 S203Y154-Y205 AromaticContact CE1-CD1 3.71Å; Y154-Y205 HydrophobicContact CE1-CD1 3.71Å; Y154-Y205 AromaticContact CE1-CE1 3.64Å; Y154-Y205 HydrophobicContact CE1-CE1 3.64Å; I191-Y205 HydrophobicContact CG2-CD1 4.09Å; I191-Y205 HydrophobicContact CG2-CG 4.31Å; R192-Y205 CarbonylContact O-C 3.59Å; R192-Y205 WeakPolarHBondContact O-CA 3.45Å; Q193-Y205 HydrophobicContact CB-CD1 3.84Å; Q193-Y205 HydrophobicContact CB-CE1 3.73Å; Q193-Y205 HydrophobicContact CG-CD1 4.02Å; Q193-Y205 HydrophobicContact CG-CE1 3.66Å; Q193-Y205 PolarHBondContact OE1-OH 3.18Å; S203-Y205 WeakPolarHBondContact O-CD2 3.41Å; S203-Y205 WeakPolarHBondContact O-CE2 3.26Å; S203-Y205 PolarHBondContact O-N 3.12Å
206Q83.3Confident74.4Confident91 Ų9174.2 Ų74.243%0.42538%0.384SS..EExtended strand (participates in β ladder)trans-99.2118.5167.1-171.6-174.43900110I191 R192 Y194 V208I191-Q206 WeakPolarHBondContact CA-O 3.5Å; R192-Q206 PolarHBondContact N-O 3.35Å; R192-Q206 PolarHBondContact O-N 2.81Å; Y194-Q206 HydrophobicContact CD2-CB 4.1Å; Y194-Q206 HydrophobicContact CE2-CB 3.7Å; Y194-Q206 PolarHBondContact OH-OE1 2.88Å; Q206-V208 PolarHBondContact O-N 3.38Å
207I85.3Confident75.8Confident35 Ų3567.6 Ų67.618%0.17935%0.349CS..EExtended strand (participates in β ladder)trans-74.3109.8168-55.5177.1000108S97 L140 A142 L189S97-I207 WeakPolarHBondContact CB-O 3.45Å; S97-I207 PolarHBondContact OG-O 3.39Å; L140-I207 WeakPolarHBondContact O-CD1 3.49Å; A142-I207 HydrophobicContact CB-CD1 3.79Å; A142-I207 HydrophobicContact CB-CG1 4.12Å; L189-I207 HydrophobicContact CD1-CG2 3.7Å; L189-I207 HydrophobicContact CD2-CG2 4.07Å; L189-I207 HydrophobicContact CG-CG2 3.92Å
208V86.8Confident76.9Confident17 Ų1762.7 Ų62.710%0.10333%0.325CS..EExtended strand (participates in β ladder)trans-79-42.9-175-166.50000110.4V55 K190 R192 Q206V55-V208 HydrophobicContact CB-CG1 4.14Å; V55-V208 HydrophobicContact CG1-CG1 3.81Å; V55-V208 HydrophobicContact CG2-CG1 4Å; K190-V208 HydrophobicContact CB-CB 4.46Å; K190-V208 WeakPolarHBondContact O-CB 3.28Å; K190-V208 PolarHBondContact O-N 2.84Å; R192-V208 HydrophobicContact CB-CG2 4.09Å; R192-V208 HydrophobicContact CG-CG2 3.72Å; Q206-V208 PolarHBondContact O-N 3.38Å
209G91.4Very high77.2Confident0 Ų058.5 Ų58.50%031%0.31CS..EExtended strand (participates in β ladder)trans163.2166.8174.200000113.6V95 K190V95-G209 CarbonylContact O-C 3.53Å; V95-G209 WeakPolarHBondContact O-CA 3.44Å; K190-G209 PolarHBondContact N-O 2.97Å; K190-G209 PolarHBondContact O-N 3.22Å
210L95.4Very high77.6Confident0 Ų055.3 Ų55.30%029%0.287CS..EExtended strand (participates in β ladder)trans-84.4130.7167.6175.374.6000109.1F93 V94 V95 M136 V139 L140 R158 F160 L189 A212F93-L210 HydrophobicContact CE2-CD2 4.14Å; F93-L210 HydrophobicContact CZ-CD2 4.49Å; V94-L210 CarbonylContact C-O 3.54Å; V94-L210 VanDerWaalsContact CA-O 3.26Å; V94-L210 WeakPolarHBondContact CA-O 3.39Å; V94-L210 WeakPolarHBondContact CG1-O 3.26Å; V95-L210 HydrophobicContact CB-CB 4.38Å; V95-L210 HydrophobicContact CG2-CD2 4.39Å; V95-L210 PolarHBondContact N-O 3.02Å; V95-L210 PolarHBondContact O-N 3.3Å; M136-L210 HydrophobicContact CE-CD2 3.8Å; V139-L210 HydrophobicContact CG1-CD1 4.18Å; V139-L210 HydrophobicContact CG1-CD2 4.01Å; L140-L210 HydrophobicContact CD2-CB 3.82Å; L140-L210 HydrophobicContact CD2-CD2 4.49Å; R158-L210 HydrophobicContact CB-CD1 4Å; R158-L210 HydrophobicContact CG-CD1 3.94Å; F160-L210 HydrophobicContact CE1-CD2 4.27Å; F160-L210 HydrophobicContact CZ-CD2 3.9Å; L189-L210 HydrophobicContact CD1-CB 4.18Å; L210-A212 HydrophobicContact CD1-CB 4.45Å; L210-A212 HydrophobicContact CD2-CB 4.29Å; L210-A212 HydrophobicContact CG-CB 4.15Å
211V95.6Very high77.7Confident20 Ų2050 Ų5012%0.12127%0.267CS..EExtended strand (participates in β ladder)trans-112.7120.1169.7-1730000107.1F56 V94 G187 Y188F56-V211 HydrophobicContact CZ-CG1 4.49Å; F56-V211 HydrophobicContact CZ-CG2 3.74Å; V94-V211 HydrophobicContact CG1-CG2 4.35Å; V94-V211 HydrophobicContact CG2-CG1 4.36Å; G187-V211 CarbonylContact C-O 3.23Å; G187-V211 VanDerWaalsContact CA-O 3.29Å; G187-V211 WeakPolarHBondContact CA-O 3.32Å; Y188-V211 HydrophobicContact CD2-CB 4.19Å; Y188-V211 HydrophobicContact CD2-CG2 4.26Å; Y188-V211 HydrophobicContact CE1-CB 4.17Å; Y188-V211 HydrophobicContact CE1-CG1 4.29Å; Y188-V211 HydrophobicContact CE2-CB 3.71Å; Y188-V211 HydrophobicContact CE2-CG1 4.43Å; Y188-V211 HydrophobicContact CE2-CG2 3.55Å; Y188-V211 PolarHBondContact N-O 3.01Å; Y188-V211 PolarHBondContact O-N 3.38Å
212A97.1Very high78Confident4 Ų438.7 Ų38.73%0.03322%0.223CC..EExtended strand (participates in β ladder)trans-149155.7-172.900000114.7V92 F93 S186 L210V92-A212 WeakPolarHBondContact CA-O 3.49Å; F93-A212 HydrophobicContact CD1-CB 4.19Å; F93-A212 WeakPolarHBondContact CD1-O 3.43Å; F93-A212 HydrophobicContact CE1-CB 3.61Å; F93-A212 HydrophobicContact CE2-CB 4.25Å; F93-A212 HydrophobicContact CZ-CB 3.64Å; F93-A212 PolarHBondContact N-O 3.29Å; F93-A212 PolarHBondContact O-N 3.32Å; F93-A212 VanDerWaalsContact O-O 3.13Å; S186-A212 CarbonylContact O-C 3.59Å; S186-A212 VanDerWaalsContact O-CA 3.28Å; S186-A212 WeakPolarHBondContact O-CA 3.49Å; S186-A212 WeakPolarHBondContact O-CB 3.38Å; L210-A212 HydrophobicContact CD1-CB 4.45Å; L210-A212 HydrophobicContact CD2-CB 4.29Å; L210-A212 HydrophobicContact CG-CB 4.15Å
213V97.2Very high78.2Confident41 Ų4135.1 Ų35.125%0.24821%0.207CC..EExtended strand (participates in β ladder)trans-95.6133.5161.5170.90000108.3L88 F91 V92 C185 S186L88-V213 HydrophobicContact CD1-CG1 4.03Å; L88-V213 HydrophobicContact CD2-CG1 4.24Å; L88-V213 HydrophobicContact CD2-CG2 4.41Å; L88-V213 HydrophobicContact CG-CG1 4.49Å; F91-V213 CarbonylContact O-C 3.56Å; F91-V213 WeakPolarHBondContact O-CA 3.43Å; V92-V213 HydrophobicContact CG2-CG2 4.43Å; C185-V213 WeakPolarHBondContact CA-O 3.11Å; S186-V213 PolarHBondContact N-O 3.41Å; S186-V213 PolarHBondContact O-N 3.48Å
214G96.9Very high78.5Confident0 Ų040.8 Ų40.80%023%0.229CC..EExtended strand (participates in β ladder)trans-104104.4164.900000109.9G90 F91 I183 H184G90-G214 CarbonylContact C-O 3.56Å; G90-G214 WeakPolarHBondContact CA-O 3.41Å; F91-G214 WeakPolarHBondContact CD1-O 3.46Å; F91-G214 PolarHBondContact N-O 3.16Å; F91-G214 PolarHBondContact O-N 2.83Å; I183-G214 VanDerWaalsContact CG2-CA 3.5Å; H184-G214 WeakPolarHBondContact O-CA 3.45Å
215Q94.1Very high78.7Confident65 Ų6540.2 Ų40.230%0.30422%0.222SC..EExtended strand (participates in β ladder)trans-88.9133.9173.3175.2154.829.300110.2D89 I183 H184D89-Q215 WeakPolarHBondContact O-CG 3.13Å; D89-Q215 PolarHBondContact OD2-NE2 3.38Å; I183-Q215 WeakPolarHBondContact CA-O 3.43Å; H184-Q215 PolarHBondContact N-O 3.38Å; H184-Q215 PolarHBondContact O-N 2.83Å
216S87.8Confident79Confident5 Ų544.7 Ų44.74%0.03524%0.243CC..EExtended strand (participates in β ladder)trans-73.2132167.8-74.70000109.9H111 K181H111-S216 PolarHBondContact CD2-OG 2.83Å; H111-S216 VanDerWaalsContact CD2-OG 3.3Å; K181-S216 WeakPolarHBondContact CE-OG 3.48Å; K181-S216 PolarHBondContact NZ-OG 2.83Å
217L83.8Confident79.1Confident6 Ų641.4 Ų41.43%0.03123%0.228CC..PPolyproline II helixtrans-67.7147168.7-61.8-177.6000110.1F161 V182 H184 Q289 T291F161-L217 HydrophobicContact CD1-CD1 4.34Å; F161-L217 HydrophobicContact CE1-CD1 4.15Å; F161-L217 HydrophobicContact CE1-CD2 4.46Å; V182-L217 HydrophobicContact CB-CD1 4.17Å; V182-L217 HydrophobicContact CG1-CD1 3.71Å; H184-L217 HydrophobicContact CB-CD2 3.97Å; L217-Q289 HydrophobicContact CD1-CB 3.51Å; L217-T291 WeakPolarHBondContact CD2-OG1 3.49Å
218P72.7Confident79.2Confident41 Ų4146.6 Ų46.627%0.26625%0.246SC..PPolyproline II helixtrans-49.4128.3-169.4-32.936.6000113.5S220 Y310P218-S220 VanDerWaalsContact C-N 3.33Å; P218-S220 PolarHBondContact O-N 2.79Å; P218-Y310 HydrophobicContact CG-CD1 4.36Å
219P60.3Low79.3Confident71 Ų7149.8 Ų49.846%0.46127%0.27SS..  trans-77.2-17.4-166.429.6-36.7000114.2G174G174-P219 VanDerWaalsContact CA-CB 3.47Å; G174-P219 WeakPolarHBondContact CA-O 3.47Å
220S55.3Low79.3Confident43 Ų4353 Ų5330%0.30129%0.287SS..SBendtrans-70.2150.1-173.3-54.20000112.8P218 I222P218-S220 VanDerWaalsContact C-N 3.33Å; P218-S220 PolarHBondContact O-N 2.79Å; S220-I222 PolarHBondContact O-N 2.99Å; S220-I222 VanDerWaalsContact O-N 3.12Å
221A54.8Low79.2Confident50 Ų5053.3 Ų53.341%0.41329%0.288SS..  trans-58117.2148.400000107.2T223 E224A221-T223 PolarHBondContact O-N 3.27Å; A221-T223 PolarHBondContact O-OG1 2.82Å; A221-E224 PolarHBondContact O-N 2.96Å
222I54.5Low79.2Confident13 Ų1352.6 Ų52.67%0.06728%0.284CS..G310 helixtrans-54.6-20.7-166.7-75.4170.3000113.8S220 E224 I225 M233 V326 V328S220-I222 PolarHBondContact O-N 2.99Å; S220-I222 VanDerWaalsContact O-N 3.12Å; I222-E224 PolarHBondContact O-N 3.3Å; I222-I225 HydrophobicContact CB-CD1 4.46Å; I222-I225 HydrophobicContact CG1-CD1 4.2Å; I222-I225 PolarHBondContact O-N 2.83Å; I222-M233 HydrophobicContact CG2-CG 3.83Å; I222-V326 HydrophobicContact CB-CB 4.34Å; I222-V326 HydrophobicContact CB-CG1 3.77Å; I222-V326 HydrophobicContact CD1-CB 4.26Å; I222-V326 HydrophobicContact CD1-CG1 4.4Å; I222-V326 WeakPolarHBondContact CD1-O 3.33Å; I222-V326 HydrophobicContact CG2-CB 4.45Å; I222-V326 HydrophobicContact CG2-CG1 3.49Å; I222-V326 VanDerWaalsContact CG2-CG1 3.49Å; I222-V328 HydrophobicContact CB-CG2 4.38Å; I222-V328 HydrophobicContact CD1-CG2 4.49Å; I222-V328 HydrophobicContact CG1-CG2 4.24Å; I222-V328 HydrophobicContact CG2-CG2 3.4Å; I222-V328 VanDerWaalsContact CG2-CG2 3.4Å
223T54.7Low79Confident75 Ų7553.3 Ų53.346%0.4629%0.287SS..G310 helixtrans-56.9-21.5170.541.70000116.2A221A221-T223 PolarHBondContact O-N 3.27Å; A221-T223 PolarHBondContact O-OG1 2.82Å
224E60.1Low78.9Confident156 Ų15651.6 Ų51.673%0.72928%0.276SS*.G310 helixtrans-99.5-3.6-175.3-66.6174.8-165.400113.5A221 I222 K226A221-E224 PolarHBondContact O-N 2.96Å; I222-E224 PolarHBondContact O-N 3.3Å; E224-K226 PolarHBondContact O-N 2.88Å
225I70.4Confident78.8Confident41 Ų4156.4 Ų56.421%0.2129%0.294CS..SBendtrans-73.4126.2-178.9-65171.1000109.4I222 L227 V328I222-I225 HydrophobicContact CB-CD1 4.46Å; I222-I225 HydrophobicContact CG1-CD1 4.2Å; I222-I225 PolarHBondContact O-N 2.83Å; I225-L227 VanDerWaalsContact C-N 3.34Å; I225-L227 HydrophobicContact CG2-CD2 4.33Å; I225-L227 PolarHBondContact O-N 3.43Å; I225-V328 HydrophobicContact CD1-CG2 3.74Å
226K81.1Confident78.9Confident164 Ų16453.3 Ų53.371%0.71328%0.28SS*.  trans-68.791.3171.8-173.1-176.2179.1-178.50109.5E224 Y228E224-K226 PolarHBondContact O-N 2.88Å; K226-Y228 WeakPolarHBondContact O-CD2 3.39Å; K226-Y228 WeakPolarHBondContact O-CE2 3.37Å
227L85.5Confident79.3Confident22 Ų2255.2 Ų55.212%0.11529%0.293CS..  trans-63.4135.3174.6-59.3175.4000110.5I225 M231 M233 R248 V328I225-L227 VanDerWaalsContact C-N 3.34Å; I225-L227 HydrophobicContact CG2-CD2 4.33Å; I225-L227 PolarHBondContact O-N 3.43Å; L227-M231 HydrophobicContact CB-CB 4.44Å; L227-M231 HydrophobicContact CD2-CB 4.35Å; L227-M231 HydrophobicContact CD2-CE 3.99Å; L227-M233 HydrophobicContact CD1-CB 3.61Å; L227-M233 HydrophobicContact CD2-CB 4.31Å; L227-R248 VanDerWaalsContact C-NH1 3.34Å; L227-R248 VanDerWaalsContact CB-NH1 3.31Å; L227-R248 PolarHBondContact O-NH1 2.81Å; L227-V328 HydrophobicContact CD2-CG1 3.99Å
228Y87.3Confident79.9Confident144 Ų14458.1 Ų58.157%0.56531%0.308SS*.  trans-90.4-166.6175-67.2-101.6000110.5K226 M231 R248K226-Y228 WeakPolarHBondContact O-CD2 3.39Å; K226-Y228 WeakPolarHBondContact O-CE2 3.37Å; Y228-M231 HydrophobicContact CD2-SD 3.66Å; Y228-M231 HydrophobicContact CG-SD 4.26Å; Y228-R248 WeakPolarHBondContact O-CD 3.22Å; Y228-R248 PolarHBondContact O-NH1 2.87Å; Y228-R248 VanDerWaalsContact O-NH1 3.11Å
229S88.4Confident81.1Confident84 Ų8460 Ų6059%0.58732%0.316SS*.THydrogen-bonded Turntrans-76.1-42.7179.547.60000112.8M231S229-M231 PolarHBondContact O-N 3.43Å
230N93.1Very high82.9Confident69 Ų6957 Ų5737%0.36930%0.296SS..THydrogen-bonded Turntrans-78.623175.475.8-51.9000113.3V331N230-V331 PolarHBondContact ND2-O 2.73Å; N230-V331 WeakPolarHBondContact O-CB 3.41Å; N230-V331 PolarHBondContact O-N 2.65Å
231M93.6Very high84.9Confident5 Ų557.8 Ų57.83%0.02529%0.294CS..EExtended strand (participates in β ladder)trans-136.1132.7-175.2-65.217766.600111.1L227 Y228 S229 V328 N329 Y330L227-M231 HydrophobicContact CB-CB 4.44Å; L227-M231 HydrophobicContact CD2-CB 4.35Å; L227-M231 HydrophobicContact CD2-CE 3.99Å; Y228-M231 HydrophobicContact CD2-SD 3.66Å; Y228-M231 HydrophobicContact CG-SD 4.26Å; S229-M231 PolarHBondContact O-N 3.43Å; M231-V328 HydrophobicContact CE-CG1 3.35Å; M231-N329 WeakPolarHBondContact CA-O 3.47Å; M231-Y330 HydrophobicContact CE-CD1 4.06Å; M231-Y330 HydrophobicContact CE-CD2 4.45Å; M231-Y330 HydrophobicContact CE-CE1 3.45Å; M231-Y330 VanDerWaalsContact CE-CE1 3.45Å; M231-Y330 HydrophobicContact CE-CE2 3.9Å; M231-Y330 HydrophobicContact CG-CD1 3.9Å; M231-Y330 HydrophobicContact CG-CE1 4.16Å; M231-Y330 HydrophobicContact CG-CG 4.4Å; M231-Y330 HydrophobicContact SD-CD1 3.92Å; M231-Y330 HydrophobicContact SD-CE1 3.55Å; M231-Y330 VanDerWaalsContact SD-CE1 3.55Å
232F94.1Very high86.9Confident5 Ų555.6 Ų55.62%0.02228%0.275CS..EExtended strand (participates in β ladder)trans-131.2151.7170.770.8-82.1000110.5F234 L245 R248 V249 V252 L297 N329 V331F232-F234 HydrophobicContact CE2-CD1 4.21Å; F232-L245 HydrophobicContact CD2-CD2 4.44Å; F232-L245 HydrophobicContact CE2-CD2 4.36Å; F232-R248 HydrophobicContact CB-CB 4.44Å; F232-V249 HydrophobicContact CB-CB 4.39Å; F232-V249 HydrophobicContact CD2-CB 4.11Å; F232-V249 HydrophobicContact CD2-CG2 4.09Å; F232-V249 HydrophobicContact CE2-CG2 4.16Å; F232-V249 HydrophobicContact CG-CB 4.23Å; F232-V249 HydrophobicContact CG-CG2 4.4Å; F232-V252 HydrophobicContact CD1-CG2 4Å; F232-V252 HydrophobicContact CE1-CG2 4.45Å; F232-L297 HydrophobicContact CE1-CD2 4.14Å; F232-L297 HydrophobicContact CZ-CD2 3.68Å; F232-N329 HydrophobicContact CD1-CB 3.98Å; F232-N329 HydrophobicContact CD2-CB 4.3Å; F232-N329 HydrophobicContact CE1-CB 3.55Å; F232-N329 HydrophobicContact CE2-CB 3.91Å; F232-N329 HydrophobicContact CG-CB 4.33Å; F232-N329 HydrophobicContact CZ-CB 3.51Å; F232-N329 PolarHBondContact N-O 3.38Å; F232-N329 VanDerWaalsContact N-O 3.16Å; F232-N329 WeakPolarHBondContact O-CB 3.4Å; F232-N329 PolarHBondContact O-N 3.22Å; F232-N329 PolarHBondContact O-ND2 3.4Å; F232-V331 HydrophobicContact CD1-CG2 4.02Å; F232-V331 HydrophobicContact CE1-CG2 3.9Å
233M93.5Very high88.9Confident20 Ų2058.4 Ų58.410%0.09929%0.29CS..EExtended strand (participates in β ladder)trans-112.9142.8177.9178.7-101.8-68.800109.9I222 L227 R235 F244 L245 D246 V326 S327I222-M233 HydrophobicContact CG2-CG 3.83Å; L227-M233 HydrophobicContact CD1-CB 3.61Å; L227-M233 HydrophobicContact CD2-CB 4.31Å; M233-R235 HydrophobicContact SD-CG 4.4Å; M233-F244 HydrophobicContact CE-CE1 4.21Å; M233-F244 HydrophobicContact SD-CD1 4.3Å; M233-F244 HydrophobicContact SD-CE1 4.09Å; M233-L245 WeakPolarHBondContact O-CA 3.31Å; M233-D246 PolarHBondContact O-N 3.1Å; M233-V326 HydrophobicContact CG-CG1 4.18Å; M233-V326 HydrophobicContact SD-CG1 4.04Å; M233-S327 VanDerWaalsContact CA-O 3.31Å; M233-S327 WeakPolarHBondContact CA-O 3.48Å
234F94.8Very high90.8Very high5 Ų559.1 Ų59.12%0.02229%0.286CS..EExtended strand (participates in β ladder)trans-128.7156.8169.472.1-113.5000111.9F232 A236 L240 L242 F244 L245 L265 I325 V326 S327 N329F232-F234 HydrophobicContact CE2-CD1 4.21Å; F234-A236 HydrophobicContact CD2-CB 4.06Å; F234-A236 HydrophobicContact CE2-CB 3.94Å; F234-L240 HydrophobicContact CE2-CD2 4.33Å; F234-L240 HydrophobicContact CZ-CD2 4.45Å; F234-L242 HydrophobicContact CB-CD2 4.24Å; F234-L242 HydrophobicContact CD1-CD2 4.24Å; F234-L242 HydrophobicContact CD2-CD2 3.68Å; F234-L242 HydrophobicContact CE2-CD2 4.01Å; F234-L242 HydrophobicContact CG-CD2 3.83Å; F234-L242 HydrophobicContact CZ-CD2 4.43Å; F234-F244 CarbonylContact C-O 3.59Å; F234-F244 VanDerWaalsContact CA-O 3.23Å; F234-F244 WeakPolarHBondContact CA-O 3.3Å; F234-F244 WeakPolarHBondContact CB-O 3.47Å; F234-L245 HydrophobicContact CB-CD2 4.34Å; F234-L245 HydrophobicContact CB-CG 3.83Å; F234-L265 HydrophobicContact CE1-CD2 4.12Å; F234-L265 HydrophobicContact CZ-CD2 3.91Å; F234-I325 HydrophobicContact CE2-CG2 4.43Å; F234-V326 WeakPolarHBondContact O-CA 3.21Å; F234-V326 WeakPolarHBondContact O-CG1 3.24Å; F234-S327 PolarHBondContact N-O 3.01Å; F234-S327 PolarHBondContact O-N 3.48Å; F234-N329 WeakPolarHBondContact CD1-ND2 3.38Å; F234-N329 WeakPolarHBondContact CE1-OD1 3.15Å
235R94.8Very high92.5Very high101 Ų10152.2 Ų52.238%0.38125%0.254SS..EExtended strand (participates in β ladder)trans-113.2143.3160.6-55.5-176.9173.4178-2.3109.1M233 I243 F244 I325 V326M233-R235 HydrophobicContact SD-CG 4.4Å; R235-I243 HydrophobicContact CB-CD1 4.19Å; R235-I243 HydrophobicContact CB-CG1 3.85Å; R235-I243 WeakPolarHBondContact O-CG1 3.36Å; R235-I243 PolarHBondContact O-N 2.99Å; R235-F244 HydrophobicContact CB-CB 4.15Å; R235-F244 HydrophobicContact CG-CB 4.38Å; R235-F244 HydrophobicContact CG-CD1 4.22Å; R235-F244 PolarHBondContact N-O 3.12Å; R235-F244 PolarHBondContact O-N 3.31Å; R235-I325 CarbonylContact C-O 3.56Å; R235-I325 VanDerWaalsContact CA-O 3.32Å; R235-I325 WeakPolarHBondContact CA-O 3.27Å; R235-V326 HydrophobicContact CG-CG1 4.18Å; R235-V326 HydrophobicContact CG-CG2 4.12Å
236A96.8Very high93.5Very high0 Ų051.4 Ų51.40%025%0.25CS..EExtended strand (participates in β ladder)trans-138.1158.6178.400000111.5F234 L240 K241 L242 C324 I325F234-A236 HydrophobicContact CD2-CB 4.06Å; F234-A236 HydrophobicContact CE2-CB 3.94Å; A236-L240 HydrophobicContact CB-CD2 4.39Å; A236-K241 CarbonylContact C-O 3.49Å; A236-K241 WeakPolarHBondContact CA-O 3.31Å; A236-K241 WeakPolarHBondContact CB-O 3.35Å; A236-L242 HydrophobicContact CB-CD2 4.33Å; A236-C324 CarbonylContact O-C 3.58Å; A236-C324 WeakPolarHBondContact O-CA 3.49Å; A236-C324 VanDerWaalsContact O-CB 3.28Å; A236-C324 WeakPolarHBondContact O-CB 3.45Å; A236-I325 HydrophobicContact CB-CB 4.33Å; A236-I325 PolarHBondContact N-O 3.49Å; A236-I325 PolarHBondContact O-N 2.77Å
237S96.9Very high94.1Very high44 Ų4447.5 Ų47.531%0.30824%0.244SC..  trans-67.8169.7161.2-73.30000110.8D239 L240 K241S237-D239 WeakPolarHBondContact CB-OD1 3.41Å; S237-D239 PolarHBondContact O-N 2.89Å; S237-D239 VanDerWaalsContact O-N 3.09Å; S237-L240 PolarHBondContact O-N 3.36Å; S237-K241 PolarHBondContact N-O 2.95Å
238L96.2Very high94.5Very high67 Ų6749.3 Ų49.335%0.35125%0.249SC..THydrogen-bonded Turntrans-69.6-3-175-55.1176.2000114.3H281 L285 V313 P322 I325L238-H281 PolarHBondContact O-NE2 2.59Å; L238-L285 HydrophobicContact CB-CD2 4.22Å; L238-L285 HydrophobicContact CD2-CD2 4.48Å; L238-V313 HydrophobicContact CD2-CG1 4.27Å; L238-P322 HydrophobicContact CD1-CB 3.8Å; L238-P322 HydrophobicContact CD2-CB 4.05Å; L238-I325 HydrophobicContact CD2-CG1 4.35Å
239D96.8Very high94.9Very high81 Ų8142.4 Ų42.443%0.43322%0.222SC..THydrogen-bonded Turntrans-99.76.617360.4-9.8000112.6S237 K241S237-D239 WeakPolarHBondContact CB-OD1 3.41Å; S237-D239 PolarHBondContact O-N 2.89Å; S237-D239 VanDerWaalsContact O-N 3.09Å; D239-K241 VanDerWaalsContact C-N 3.26Å; D239-K241 PolarHBondContact O-N 2.91Å; D239-K241 WeakPolarHBondContact OD1-CB 3.48Å; D239-K241 PolarHBondContact OD1-N 3.4Å
240L97.7Very high95.2Very high7 Ų740.1 Ų40.14%0.03721%0.205CC..  trans61.521.1-167.7-69.3172.2000115.1F234 A236 S237 L242 T264 L265 Y266 H281 I325F234-L240 HydrophobicContact CE2-CD2 4.33Å; F234-L240 HydrophobicContact CZ-CD2 4.45Å; A236-L240 HydrophobicContact CB-CD2 4.39Å; S237-L240 PolarHBondContact O-N 3.36Å; L240-L242 PolarHBondContact O-N 3.14Å; L240-T264 VanDerWaalsContact O-CA 3.3Å; L240-T264 WeakPolarHBondContact O-CA 3.32Å; L240-L265 HydrophobicContact CB-CB 4.22Å; L240-L265 PolarHBondContact O-N 2.8Å; L240-Y266 HydrophobicContact CB-CE2 4.36Å; L240-Y266 HydrophobicContact CD1-CE2 4.05Å; L240-H281 HydrophobicContact CD1-CB 3.86Å; L240-I325 HydrophobicContact CD2-CD1 3.74Å; L240-I325 HydrophobicContact CD2-CG2 4.22Å; L240-I325 HydrophobicContact CG-CD1 4.19Å
241K98.2Very high95.2Very high61 Ų6143.7 Ų43.727%0.26522%0.219SC..BIsolated β-bridgetrans-67.8118.8165.8-173.3-179.7173.1-172.30110.4A236 S237 D239 E262 K263 T264A236-K241 CarbonylContact C-O 3.49Å; A236-K241 WeakPolarHBondContact CA-O 3.31Å; A236-K241 WeakPolarHBondContact CB-O 3.35Å; S237-K241 PolarHBondContact N-O 2.95Å; D239-K241 VanDerWaalsContact C-N 3.26Å; D239-K241 PolarHBondContact O-N 2.91Å; D239-K241 WeakPolarHBondContact OD1-CB 3.48Å; D239-K241 PolarHBondContact OD1-N 3.4Å; K241-E262 WeakPolarHBondContact CE-O 3.29Å; K241-E262 WeakPolarHBondContact CE-OE1 3.48Å; K241-E262 VanDerWaalsContact CE-OE2 3.23Å; K241-E262 WeakPolarHBondContact CE-OE2 3.37Å; K241-E262 VanDerWaalsContact NZ-CD 3.27Å; K241-E262 IonicContact NZ-OE1 2.83Å; K241-E262 PolarHBondContact NZ-OE1 2.89Å; K241-E262 IonicContact NZ-OE2 3.59Å; K241-E262 PolarHBondContact NZ-OE2 2.93Å; K241-K263 CarbonylContact C-O 3.59Å; K241-K263 WeakPolarHBondContact CA-O 3.38Å; K241-T264 HydrophobicContact CB-CG2 4.05Å
242L97.4Very high95.3Very high3 Ų344.6 Ų44.62%0.01623%0.225CC..EExtended strand (participates in β ladder)trans-73.9124.8-173.1-61.8171.9000110.8F234 A236 L240 L245 L260 I261 E262 K263F234-L242 HydrophobicContact CB-CD2 4.24Å; F234-L242 HydrophobicContact CD1-CD2 4.24Å; F234-L242 HydrophobicContact CD2-CD2 3.68Å; F234-L242 HydrophobicContact CE2-CD2 4.01Å; F234-L242 HydrophobicContact CG-CD2 3.83Å; F234-L242 HydrophobicContact CZ-CD2 4.43Å; A236-L242 HydrophobicContact CB-CD2 4.33Å; L240-L242 PolarHBondContact O-N 3.14Å; L242-L245 HydrophobicContact CB-CD1 4.06Å; L242-L245 HydrophobicContact CD1-CD1 4.33Å; L242-L260 HydrophobicContact CD1-CB 4.13Å; L242-L260 WeakPolarHBondContact CD1-O 3.29Å; L242-I261 WeakPolarHBondContact O-CA 3.44Å; L242-E262 PolarHBondContact O-N 2.84Å; L242-K263 PolarHBondContact N-O 3.41Å
243I95.8Very high95.3Very high73 Ų7344.4 Ų44.437%0.37422%0.224SC..EExtended strand (participates in β ladder)trans-116.1-14.6-177.562.1170.5000113.5R235 C324R235-I243 HydrophobicContact CB-CD1 4.19Å; R235-I243 HydrophobicContact CB-CG1 3.85Å; R235-I243 WeakPolarHBondContact O-CG1 3.36Å; R235-I243 PolarHBondContact O-N 2.99Å; I243-C324 HydrophobicContact CD1-CB 4.49Å
244F94.9Very high95.4Very high90 Ų9045.1 Ų45.140%0.39524%0.237SC..EExtended strand (participates in β ladder)trans-160.6140.9174.8170.3-91.6000110M233 F234 R235M233-F244 HydrophobicContact CE-CE1 4.21Å; M233-F244 HydrophobicContact SD-CD1 4.3Å; M233-F244 HydrophobicContact SD-CE1 4.09Å; F234-F244 CarbonylContact C-O 3.59Å; F234-F244 VanDerWaalsContact CA-O 3.23Å; F234-F244 WeakPolarHBondContact CA-O 3.3Å; F234-F244 WeakPolarHBondContact CB-O 3.47Å; R235-F244 HydrophobicContact CB-CB 4.15Å; R235-F244 HydrophobicContact CG-CB 4.38Å; R235-F244 HydrophobicContact CG-CD1 4.22Å; R235-F244 PolarHBondContact N-O 3.12Å; R235-F244 PolarHBondContact O-N 3.31Å
245L94.5Very high95.4Very high10 Ų1045.2 Ų45.25%0.05224%0.237CC..EExtended strand (participates in β ladder)trans-133.9146.6168.1-69.892.3000110.9F232 M233 F234 L242 V249 P257 L260 I261F232-L245 HydrophobicContact CD2-CD2 4.44Å; F232-L245 HydrophobicContact CE2-CD2 4.36Å; M233-L245 WeakPolarHBondContact O-CA 3.31Å; F234-L245 HydrophobicContact CB-CD2 4.34Å; F234-L245 HydrophobicContact CB-CG 3.83Å; L242-L245 HydrophobicContact CB-CD1 4.06Å; L242-L245 HydrophobicContact CD1-CD1 4.33Å; L245-V249 HydrophobicContact CB-CG1 4.26Å; L245-V249 HydrophobicContact CD2-CB 4.27Å; L245-V249 HydrophobicContact CD2-CG1 4.14Å; L245-V249 HydrophobicContact CD2-CG2 4Å; L245-P257 HydrophobicContact CB-CB 4.13Å; L245-P257 HydrophobicContact CB-CG 4.46Å; L245-L260 HydrophobicContact CD1-CB 4.08Å; L245-L260 HydrophobicContact CD2-CB 4.3Å; L245-L260 HydrophobicContact CD2-CD1 3.7Å; L245-I261 HydrophobicContact CD1-CD1 4.41Å; L245-I261 HydrophobicContact CD1-CG1 3.68Å
246D92.4Very high95.5Very high24 Ų2444.2 Ų44.213%0.12824%0.237CC..  trans-67.3139.7165.5-175.2-69.9000110.6M233 R248 V249M233-D246 PolarHBondContact O-N 3.1Å; D246-R248 PolarHBondContact O-N 3.06Å; D246-R248 VanDerWaalsContact O-N 3.11Å; D246-R248 WeakPolarHBondContact OD1-CB 3.4Å; D246-R248 IonicContact OD1-CZ 3.37Å; D246-R248 PolarHBondContact OD1-N 2.83Å; D246-R248 IonicContact OD1-NE 3.21Å; D246-R248 PolarHBondContact OD1-NE 2.79Å; D246-R248 IonicContact OD1-NH2 3.03Å; D246-R248 IonicContact OD2-CZ 2.66Å; D246-R248 IonicContact OD2-NE 3.11Å; D246-R248 IonicContact OD2-NH2 2.68Å; D246-R248 PolarHBondContact OD2-NH2 2.81Å; D246-V249 WeakPolarHBondContact O-CG1 3.38Å; D246-V249 PolarHBondContact O-N 2.87Å
247S93.1Very high95.5Very high82 Ų8245.4 Ų45.457%0.57324%0.244SC*.THydrogen-bonded Turntrans-63.6-15.7-174.754.10000114.9V249 T250S247-V249 PolarHBondContact O-N 3.41Å; S247-V249 VanDerWaalsContact O-N 3.15Å; S247-T250 WeakPolarHBondContact O-CB 3.28Å; S247-T250 PolarHBondContact O-N 3.32Å; S247-T250 VanDerWaalsContact O-N 3.12Å; S247-T250 PolarHBondContact O-OG1 3.46Å
248R93.8Very high95.4Very high60 Ų6050.9 Ų50.923%0.22627%0.265CS..THydrogen-bonded Turntrans-61.6-17.8173.2-81.9166.2-79.6-156.1-10.7114.1L227 Y228 F232 D246 T250 E251 V252L227-R248 VanDerWaalsContact C-NH1 3.34Å; L227-R248 VanDerWaalsContact CB-NH1 3.31Å; L227-R248 PolarHBondContact O-NH1 2.81Å; Y228-R248 WeakPolarHBondContact O-CD 3.22Å; Y228-R248 PolarHBondContact O-NH1 2.87Å; Y228-R248 VanDerWaalsContact O-NH1 3.11Å; F232-R248 HydrophobicContact CB-CB 4.44Å; D246-R248 PolarHBondContact O-N 3.06Å; D246-R248 VanDerWaalsContact O-N 3.11Å; D246-R248 WeakPolarHBondContact OD1-CB 3.4Å; D246-R248 IonicContact OD1-CZ 3.37Å; D246-R248 PolarHBondContact OD1-N 2.83Å; D246-R248 IonicContact OD1-NE 3.21Å; D246-R248 PolarHBondContact OD1-NE 2.79Å; D246-R248 IonicContact OD1-NH2 3.03Å; D246-R248 IonicContact OD2-CZ 2.66Å; D246-R248 IonicContact OD2-NE 3.11Å; D246-R248 IonicContact OD2-NH2 2.68Å; D246-R248 PolarHBondContact OD2-NH2 2.81Å; R248-T250 PolarHBondContact O-N 3.28Å; R248-T250 VanDerWaalsContact O-N 3.16Å; R248-E251 PolarHBondContact O-N 3.47Å; R248-V252 WeakPolarHBondContact O-CG2 3.18Å; R248-V252 PolarHBondContact O-N 3.05Å
249V95.6Very high95.3Very high0 Ų049.4 Ų49.40%026%0.258CS..Hα-helixtrans-55.4-30.5172.471.10000112.1F232 L245 D246 S247 T253 Y255 P257 L260F232-V249 HydrophobicContact CB-CB 4.39Å; F232-V249 HydrophobicContact CD2-CB 4.11Å; F232-V249 HydrophobicContact CD2-CG2 4.09Å; F232-V249 HydrophobicContact CE2-CG2 4.16Å; F232-V249 HydrophobicContact CG-CB 4.23Å; F232-V249 HydrophobicContact CG-CG2 4.4Å; L245-V249 HydrophobicContact CB-CG1 4.26Å; L245-V249 HydrophobicContact CD2-CB 4.27Å; L245-V249 HydrophobicContact CD2-CG1 4.14Å; L245-V249 HydrophobicContact CD2-CG2 4Å; D246-V249 WeakPolarHBondContact O-CG1 3.38Å; D246-V249 PolarHBondContact O-N 2.87Å; S247-V249 PolarHBondContact O-N 3.41Å; S247-V249 VanDerWaalsContact O-N 3.15Å; V249-T253 HydrophobicContact CG2-CG2 4.37Å; V249-T253 PolarHBondContact O-N 2.98Å; V249-T253 PolarHBondContact O-OG1 3.36Å; V249-Y255 CarbonylContact C-O 3.52Å; V249-P257 HydrophobicContact CG1-CG 3.95Å; V249-L260 HydrophobicContact CG1-CD1 4.39Å; V249-L260 HydrophobicContact CG2-CD1 3.68Å
250T95.8Very high95.2Very high36 Ų3646 Ų4622%0.22124%0.239CC..Hα-helixtrans-64.2-42.6173.7-48.50000112.2S247 R248 G254 Y255 E256S247-T250 WeakPolarHBondContact O-CB 3.28Å; S247-T250 PolarHBondContact O-N 3.32Å; S247-T250 VanDerWaalsContact O-N 3.12Å; S247-T250 PolarHBondContact O-OG1 3.46Å; R248-T250 PolarHBondContact O-N 3.28Å; R248-T250 VanDerWaalsContact O-N 3.16Å; T250-G254 WeakPolarHBondContact O-CA 3.18Å; T250-G254 PolarHBondContact O-N 2.69Å; T250-Y255 WeakPolarHBondContact CA-O 3.32Å; T250-Y255 PolarHBondContact N-O 2.89Å; T250-Y255 VanDerWaalsContact N-O 3.17Å; T250-Y255 PolarHBondContact OG1-O 3.33Å; T250-E256 WeakPolarHBondContact CG2-OE1 3.47Å; T250-E256 WeakPolarHBondContact CG2-OE2 3.41Å; T250-E256 PolarHBondContact OG1-OE2 3.41Å
251E93.7Very high95.2Very high144 Ų14448.3 Ų48.367%0.67325%0.251SS*.Hα-helixtrans-67.1-39.3-179.4-64.5175.2-160.200111.8R248R248-E251 PolarHBondContact O-N 3.47Å
252V93.9Very high95Very high23 Ų2351 Ų5114%0.13926%0.264CS..Hα-helixtrans-93.5-19.6-174.1-61.80000115.2F232 R248 V305 V331F232-V252 HydrophobicContact CD1-CG2 4Å; F232-V252 HydrophobicContact CE1-CG2 4.45Å; R248-V252 WeakPolarHBondContact O-CG2 3.18Å; R248-V252 PolarHBondContact O-N 3.05Å; V252-V305 WeakPolarHBondContact O-CG1 3.36Å; V252-V331 HydrophobicContact CB-CG1 4.38Å; V252-V331 HydrophobicContact CB-CG2 3.99Å; V252-V331 HydrophobicContact CG1-CG2 4.26Å; V252-V331 HydrophobicContact CG2-CG2 3.85Å
253T95.3Very high94.9Very high1 Ų153.6 Ų53.61%0.00628%0.276CS..Hα-helixtrans-127.3-12.3179.268.20000115.1V249 Y255 L297 S299 K300 V305V249-T253 HydrophobicContact CG2-CG2 4.37Å; V249-T253 PolarHBondContact O-N 2.98Å; V249-T253 PolarHBondContact O-OG1 3.36Å; T253-Y255 PolarHBondContact O-N 3.48Å; T253-Y255 WeakPolarHBondContact OG1-CB 3.24Å; T253-Y255 PolarHBondContact OG1-N 2.9Å; T253-Y255 VanDerWaalsContact OG1-N 3.17Å; T253-L297 HydrophobicContact CG2-CD2 3.77Å; T253-L297 HydrophobicContact CG2-CG 4.42Å; T253-S299 CarbonylContact O-C 3.42Å; T253-S299 WeakPolarHBondContact O-CA 3.28Å; T253-S299 WeakPolarHBondContact O-CB 3.04Å; T253-K300 PolarHBondContact O-N 2.84Å; T253-V305 HydrophobicContact CG2-CG2 4.11Å
254G94.7Very high95Very high36 Ų3651.7 Ų51.737%0.37127%0.267SS..SBendtrans73.6-1.9-169.200000115.2T250 K300T250-G254 WeakPolarHBondContact O-CA 3.18Å; T250-G254 PolarHBondContact O-N 2.69Å; G254-K300 WeakPolarHBondContact O-CB 3.3Å; G254-K300 WeakPolarHBondContact O-CD 3.36Å
255Y95.9Very high95.1Very high7 Ų747.8 Ų47.83%0.02725%0.251CS..  trans-85.6130.9172.2-76.9-71.2000111.4V249 T250 T253 D259 L260 L298 S299 K300V249-Y255 CarbonylContact C-O 3.52Å; T250-Y255 WeakPolarHBondContact CA-O 3.32Å; T250-Y255 PolarHBondContact N-O 2.89Å; T250-Y255 VanDerWaalsContact N-O 3.17Å; T250-Y255 PolarHBondContact OG1-O 3.33Å; T253-Y255 PolarHBondContact O-N 3.48Å; T253-Y255 WeakPolarHBondContact OG1-CB 3.24Å; T253-Y255 PolarHBondContact OG1-N 2.9Å; T253-Y255 VanDerWaalsContact OG1-N 3.17Å; Y255-D259 HydrophobicContact CD1-CB 3.65Å; Y255-D259 HydrophobicContact CE1-CB 4.39Å; Y255-L260 HydrophobicContact CD1-CD2 3.92Å; Y255-L260 HydrophobicContact CD1-CG 4.44Å; Y255-L260 HydrophobicContact CD2-CD2 3.93Å; Y255-L260 HydrophobicContact CE1-CD2 4.27Å; Y255-L260 HydrophobicContact CE2-CD2 4.28Å; Y255-L260 HydrophobicContact CG-CD1 4.29Å; Y255-L260 HydrophobicContact CG-CD2 3.73Å; Y255-L260 HydrophobicContact CG-CG 4.12Å; Y255-L298 WeakPolarHBondContact CE2-O 3.3Å; Y255-S299 VanDerWaalsContact CE2-C 3.5Å; Y255-K300 HydrophobicContact CD1-CB 3.69Å; Y255-K300 HydrophobicContact CD1-CD 3.99Å; Y255-K300 HydrophobicContact CD1-CG 3.77Å; Y255-K300 HydrophobicContact CD2-CB 4.06Å; Y255-K300 HydrophobicContact CE1-CB 3.89Å; Y255-K300 HydrophobicContact CE1-CG 3.88Å; Y255-K300 HydrophobicContact CE2-CB 4.23Å; Y255-K300 HydrophobicContact CG-CB 3.79Å; Y255-K300 HydrophobicContact CG-CG 4.36Å
256E96.1Very high95.2Very high80 Ų8049.9 Ų49.937%0.37426%0.258SS..  trans-72.9151166-61.2-63.5173.200110.1T250 Q258 D259T250-E256 WeakPolarHBondContact CG2-OE1 3.47Å; T250-E256 WeakPolarHBondContact CG2-OE2 3.41Å; T250-E256 PolarHBondContact OG1-OE2 3.41Å; E256-Q258 HydrophobicContact CB-CG 3.89Å; E256-Q258 PolarHBondContact O-N 3.31Å; E256-D259 PolarHBondContact N-OD2 2.7Å; E256-D259 WeakPolarHBondContact O-CB 3.32Å; E256-D259 PolarHBondContact O-N 2.74Å
257P96.4Very high95.4Very high25 Ų2553.9 Ų53.916%0.16228%0.276CS..Hα-helixtrans-48.9-38.1174.8-31.636.7000114.1L245 V249 D259 L260 I261L245-P257 HydrophobicContact CB-CB 4.13Å; L245-P257 HydrophobicContact CB-CG 4.46Å; V249-P257 HydrophobicContact CG1-CG 3.95Å; P257-D259 VanDerWaalsContact C-N 3.29Å; P257-D259 PolarHBondContact O-N 3.31Å; P257-L260 PolarHBondContact O-N 3.3Å; P257-I261 HydrophobicContact CB-CD1 4.21Å; P257-I261 WeakPolarHBondContact O-CB 3.36Å; P257-I261 WeakPolarHBondContact O-CD1 3.16Å; P257-I261 VanDerWaalsContact O-CG1 3.24Å; P257-I261 WeakPolarHBondContact O-CG1 3.44Å; P257-I261 PolarHBondContact O-N 2.86Å
258Q95.4Very high95.5Very high159 Ų15950 Ų5074%0.74325%0.249SC*.Hα-helixtrans-68.2-20.1178.269.7-171.11.600114.5E256 L260E256-Q258 HydrophobicContact CB-CG 3.89Å; E256-Q258 PolarHBondContact O-N 3.31Å; Q258-L260 VanDerWaalsContact C-N 3.29Å
259D94.2Very high95.7Very high36 Ų3647.6 Ų47.619%0.19324%0.241CC..Hα-helixtrans-76.7-20.5175-56.7-43.5000111.8Y255 E256 P257 K263 K300Y255-D259 HydrophobicContact CD1-CB 3.65Å; Y255-D259 HydrophobicContact CE1-CB 4.39Å; E256-D259 PolarHBondContact N-OD2 2.7Å; E256-D259 WeakPolarHBondContact O-CB 3.32Å; E256-D259 PolarHBondContact O-N 2.74Å; P257-D259 VanDerWaalsContact C-N 3.29Å; P257-D259 PolarHBondContact O-N 3.31Å; D259-K263 WeakPolarHBondContact O-CE 3.37Å; D259-K263 PolarHBondContact O-NZ 2.91Å; D259-K300 IonicContact OD1-NZ 3.29Å; D259-K300 PolarHBondContact OD1-NZ 3.3Å; D259-K300 VanDerWaalsContact OD1-NZ 3.09Å; D259-K300 WeakPolarHBondContact OD2-CE 3.49Å; D259-K300 IonicContact OD2-NZ 3.52Å; D259-K300 PolarHBondContact OD2-NZ 2.95Å
260L95.4Very high95.8Very high8 Ų848.8 Ų48.84%0.04225%0.246CC..Hα-helixtrans-112.1-29.9-169.2-59.5177000112.9L242 L245 V249 Y255 P257 Q258 K263 H268L242-L260 HydrophobicContact CD1-CB 4.13Å; L242-L260 WeakPolarHBondContact CD1-O 3.29Å; L245-L260 HydrophobicContact CD1-CB 4.08Å; L245-L260 HydrophobicContact CD2-CB 4.3Å; L245-L260 HydrophobicContact CD2-CD1 3.7Å; V249-L260 HydrophobicContact CG1-CD1 4.39Å; V249-L260 HydrophobicContact CG2-CD1 3.68Å; Y255-L260 HydrophobicContact CD1-CD2 3.92Å; Y255-L260 HydrophobicContact CD1-CG 4.44Å; Y255-L260 HydrophobicContact CD2-CD2 3.93Å; Y255-L260 HydrophobicContact CE1-CD2 4.27Å; Y255-L260 HydrophobicContact CE2-CD2 4.28Å; Y255-L260 HydrophobicContact CG-CD1 4.29Å; Y255-L260 HydrophobicContact CG-CD2 3.73Å; Y255-L260 HydrophobicContact CG-CG 4.12Å; P257-L260 PolarHBondContact O-N 3.3Å; Q258-L260 VanDerWaalsContact C-N 3.29Å; L260-K263 PolarHBondContact O-N 2.96Å; L260-H268 WeakPolarHBondContact CD2-CE1 3.46Å; L260-H268 WeakPolarHBondContact CD2-ND1 3.34Å
261I96.4Very high95.8Very high56 Ų5649.7 Ų49.729%0.28726%0.262SS..THydrogen-bonded Turntrans-60.7149.4175.8-75.2165.4000110.7L242 L245 P257 K263L242-I261 WeakPolarHBondContact O-CA 3.44Å; L245-I261 HydrophobicContact CD1-CD1 4.41Å; L245-I261 HydrophobicContact CD1-CG1 3.68Å; P257-I261 HydrophobicContact CB-CD1 4.21Å; P257-I261 WeakPolarHBondContact O-CB 3.36Å; P257-I261 WeakPolarHBondContact O-CD1 3.16Å; P257-I261 VanDerWaalsContact O-CG1 3.24Å; P257-I261 WeakPolarHBondContact O-CG1 3.44Å; P257-I261 PolarHBondContact O-N 2.86Å; I261-K263 PolarHBondContact O-N 3.02Å; I261-K263 VanDerWaalsContact O-N 3.14Å
262E93.7Very high96Very high117 Ų11747 Ų4755%0.54726%0.258SS..THydrogen-bonded Turntrans64.7-3.4-171.8-65.7-67.892.800116.3K241 L242K241-E262 WeakPolarHBondContact CE-O 3.29Å; K241-E262 WeakPolarHBondContact CE-OE1 3.48Å; K241-E262 VanDerWaalsContact CE-OE2 3.23Å; K241-E262 WeakPolarHBondContact CE-OE2 3.37Å; K241-E262 VanDerWaalsContact NZ-CD 3.27Å; K241-E262 IonicContact NZ-OE1 2.83Å; K241-E262 PolarHBondContact NZ-OE1 2.89Å; K241-E262 IonicContact NZ-OE2 3.59Å; K241-E262 PolarHBondContact NZ-OE2 2.93Å; L242-E262 PolarHBondContact O-N 2.84Å
263K95.7Very high96.2Very high58 Ų5846.4 Ų46.425%0.25226%0.255SS..SBendtrans-95.2157.6168.6-61.6172-176.2169.60111.1K241 L242 D259 L260 I261 H268 E345K241-K263 CarbonylContact C-O 3.59Å; K241-K263 WeakPolarHBondContact CA-O 3.38Å; L242-K263 PolarHBondContact N-O 3.41Å; D259-K263 WeakPolarHBondContact O-CE 3.37Å; D259-K263 PolarHBondContact O-NZ 2.91Å; L260-K263 PolarHBondContact O-N 2.96Å; I261-K263 PolarHBondContact O-N 3.02Å; I261-K263 VanDerWaalsContact O-N 3.14Å; K263-H268 VanDerWaalsContact CD-NE2 3.32Å; K263-H268 WeakPolarHBondContact CD-NE2 3.35Å; K263-E345 WeakPolarHBondContact CE-OE1 3.33Å; K263-E345 IonicContact NZ-OE1 2.72Å; K263-E345 PolarHBondContact NZ-OE1 3.27Å; K263-E345 IonicContact NZ-OE2 3.46Å; K263-E345 PolarHBondContact NZ-OE2 3.27Å
264T97.3Very high96.3Very high33 Ų3348.4 Ų48.420%0.20227%0.266CS..BIsolated β-bridgetrans-83.6144.6168.166.30000110.8L240 K241 Y266 H267L240-T264 VanDerWaalsContact O-CA 3.3Å; L240-T264 WeakPolarHBondContact O-CA 3.32Å; K241-T264 HydrophobicContact CB-CG2 4.05Å; T264-Y266 PolarHBondContact O-N 3.07Å; T264-H267 PolarHBondContact N-ND1 2.81Å; T264-H267 WeakPolarHBondContact O-CB 3.13Å; T264-H267 PolarHBondContact O-N 3Å; T264-H267 PolarHBondContact O-ND1 3.16Å; T264-H267 VanDerWaalsContact O-ND1 3.09Å; T264-H267 PolarHBondContact OG1-CE1 3.01Å; T264-H267 VanDerWaalsContact OG1-CE1 3.25Å; T264-H267 PolarHBondContact OG1-ND1 3.34Å
265L97.6Very high96.4Very high8 Ų852 Ų524%0.04227%0.272CS..G310 helixtrans-49.3-32.5179.8179.459.5000113.1F234 L240 H267 H268 V269 L277 L297F234-L265 HydrophobicContact CE1-CD2 4.12Å; F234-L265 HydrophobicContact CZ-CD2 3.91Å; L240-L265 HydrophobicContact CB-CB 4.22Å; L240-L265 PolarHBondContact O-N 2.8Å; L265-H267 PolarHBondContact O-N 3.1Å; L265-H267 VanDerWaalsContact O-N 3.15Å; L265-H268 PolarHBondContact O-N 2.82Å; L265-V269 HydrophobicContact CD1-CG2 4.23Å; L265-V269 HydrophobicContact CG-CG2 4.01Å; L265-V269 VanDerWaalsContact O-CG2 3.23Å; L265-V269 WeakPolarHBondContact O-CG2 3.13Å; L265-L277 HydrophobicContact CD2-CD1 4.26Å; L265-L277 HydrophobicContact CD2-CD2 4.02Å; L265-L277 HydrophobicContact CG-CD2 4.06Å; L265-L297 HydrophobicContact CD1-CD1 3.97Å
266Y97.6Very high96.3Very high55 Ų5556.2 Ų56.222%0.21629%0.292CS..G310 helixtrans-54.9-26.4175.4-63.7-73.1000115.1L240 T264 H268 V274 L277 R278 H281L240-Y266 HydrophobicContact CB-CE2 4.36Å; L240-Y266 HydrophobicContact CD1-CE2 4.05Å; T264-Y266 PolarHBondContact O-N 3.07Å; Y266-H268 PolarHBondContact O-N 2.85Å; Y266-V274 HydrophobicContact CD1-CG1 4.07Å; Y266-V274 HydrophobicContact CE1-CG1 4.48Å; Y266-L277 HydrophobicContact CD1-CD2 3.9Å; Y266-L277 HydrophobicContact CD1-CG 4.42Å; Y266-L277 HydrophobicContact CE1-CB 4.21Å; Y266-L277 HydrophobicContact CE1-CD2 3.82Å; Y266-L277 HydrophobicContact CE1-CG 3.85Å; Y266-R278 HydrophobicContact CE1-CB 4.39Å; Y266-R278 WeakPolarHBondContact OH-CA 3.21Å; Y266-H281 AromaticContact CE2-ND1 3.94Å; Y266-H281 AromaticContact CZ-ND1 3.86Å; Y266-H281 WeakPolarHBondContact OH-CB 3.26Å; Y266-H281 PolarHBondContact OH-ND1 3.05Å
267H95.8Very high96.4Very high107 Ų10752.9 Ų52.950%0.49528%0.277SS..G310 helixtrans-68.3-22.1176.3-68.477.1000113T264 L265T264-H267 PolarHBondContact N-ND1 2.81Å; T264-H267 WeakPolarHBondContact O-CB 3.13Å; T264-H267 PolarHBondContact O-N 3Å; T264-H267 PolarHBondContact O-ND1 3.16Å; T264-H267 VanDerWaalsContact O-ND1 3.09Å; T264-H267 PolarHBondContact OG1-CE1 3.01Å; T264-H267 VanDerWaalsContact OG1-CE1 3.25Å; T264-H267 PolarHBondContact OG1-ND1 3.34Å; L265-H267 PolarHBondContact O-N 3.1Å; L265-H267 VanDerWaalsContact O-N 3.15Å
268H96.1Very high96.5Very high2 Ų257.1 Ų57.11%0.00929%0.289CS..G310 helixtrans-111.98.3-173.8-51.2-69.9000112.5L260 K263 L265 Y266 L297 L298 E345L260-H268 WeakPolarHBondContact CD2-CE1 3.46Å; L260-H268 WeakPolarHBondContact CD2-ND1 3.34Å; K263-H268 VanDerWaalsContact CD-NE2 3.32Å; K263-H268 WeakPolarHBondContact CD-NE2 3.35Å; L265-H268 PolarHBondContact O-N 2.82Å; Y266-H268 PolarHBondContact O-N 2.85Å; H268-L297 HydrophobicContact CB-CD1 3.91Å; H268-L297 CarbonylContact O-C 3.23Å; H268-L297 WeakPolarHBondContact O-CA 3.49Å; H268-L298 WeakPolarHBondContact O-CG 3.16Å; H268-L298 PolarHBondContact O-N 3.38Å; H268-E345 IonicContact CE1-OE2 3.71Å; H268-E345 PolarHBondContact CE1-OE2 2.98Å; H268-E345 VanDerWaalsContact CE1-OE2 3.29Å; H268-E345 IonicContact ND1-OE2 3.66Å
269V97.6Very high96.5Very high8 Ų856.1 Ų56.15%0.04828%0.28CS..BIsolated β-bridgetrans-106.6135.6-175.7170.80000109.5L265 G271 D273 V274 L277 Y295L265-V269 HydrophobicContact CD1-CG2 4.23Å; L265-V269 HydrophobicContact CG-CG2 4.01Å; L265-V269 VanDerWaalsContact O-CG2 3.23Å; L265-V269 WeakPolarHBondContact O-CG2 3.13Å; V269-G271 PolarHBondContact O-N 3.18Å; V269-D273 HydrophobicContact CG1-CB 4.14Å; V269-V274 HydrophobicContact CG1-CG2 4.14Å; V269-L277 HydrophobicContact CB-CD2 4.23Å; V269-L277 HydrophobicContact CG1-CD2 4.13Å; V269-L277 HydrophobicContact CG2-CD2 3.55Å; V269-Y295 HydrophobicContact CG1-CD2 4.19Å; V269-Y295 HydrophobicContact CG2-CD2 4.04Å; V269-Y295 HydrophobicContact CG2-CE2 3.9Å
270H97.6Very high96.7Very high26 Ų2654.7 Ų54.712%0.1227%0.273CS..  trans-57.8132.6178.2-175.1-76.6000111.3C272 D273 R296 L342H270-C272 VanDerWaalsContact C-N 3.32Å; H270-C272 VanDerWaalsContact CE1-SG 3.57Å; H270-C272 PolarHBondContact ND1-N 3.26Å; H270-C272 PolarHBondContact O-N 3.33Å; H270-C272 VanDerWaalsContact O-N 3.12Å; H270-D273 WeakPolarHBondContact O-CB 3.34Å; H270-D273 PolarHBondContact O-N 3.45Å; H270-R296 HydrophobicContact CB-CB 3.63Å; H270-R296 PolarHBondContact CE1-NH1 3.17Å; H270-R296 PolarHBondContact N-O 2.76Å; H270-R296 PolarHBondContact ND1-NH2 2.85Å; H270-L342 VanDerWaalsContact CD2-CD1 3.47Å; H270-L342 WeakPolarHBondContact CD2-CD1 3.46Å
271G95.9Very high96.8Very high54 Ų5455.4 Ų55.456%0.55728%0.276SS*.G310 helixtrans-51.8-42.2-168.700000115.3V269 D273 V274V269-G271 PolarHBondContact O-N 3.18Å; G271-D273 PolarHBondContact O-N 3.12Å; G271-V274 WeakPolarHBondContact O-CB 3.03Å; G271-V274 PolarHBondContact O-N 2.95Å
272C97.3Very high96.9Very high87 Ų8758.1 Ų58.159%0.58829%0.287SS*.G310 helixtrans-62.4-20176.9-54.10000114.5H270H270-C272 VanDerWaalsContact C-N 3.32Å; H270-C272 VanDerWaalsContact CE1-SG 3.57Å; H270-C272 PolarHBondContact ND1-N 3.26Å; H270-C272 PolarHBondContact O-N 3.33Å; H270-C272 VanDerWaalsContact O-N 3.12Å
273D98.1Very high97Very high12 Ų1253 Ų536%0.06426%0.264CS..G310 helixtrans-99.1-11-174.7-52.5-13.5000111.6V269 H270 G271 F275 H276 L277 R296V269-D273 HydrophobicContact CG1-CB 4.14Å; H270-D273 WeakPolarHBondContact O-CB 3.34Å; H270-D273 PolarHBondContact O-N 3.45Å; G271-D273 PolarHBondContact O-N 3.12Å; D273-F275 VanDerWaalsContact C-N 3.3Å; D273-F275 PolarHBondContact O-N 3.44Å; D273-H276 WeakPolarHBondContact O-CB 3.33Å; D273-H276 PolarHBondContact O-N 2.69Å; D273-L277 PolarHBondContact O-N 2.89Å; D273-R296 IonicContact OD1-CZ 3.6Å; D273-R296 IonicContact OD1-NE 3.52Å; D273-R296 IonicContact OD1-NH2 2.75Å; D273-R296 PolarHBondContact OD1-NH2 2.81Å; D273-R296 WeakPolarHBondContact OD2-CB 3.28Å; D273-R296 IonicContact OD2-CZ 2.89Å; D273-R296 PolarHBondContact OD2-N 3.36Å; D273-R296 IonicContact OD2-NE 3.57Å; D273-R296 PolarHBondContact OD2-NE 3.36Å; D273-R296 IonicContact OD2-NH2 3.38Å
274V96.6Very high97Very high42 Ų4250.4 Ų50.426%0.25525%0.253SS..Hα-helixtrans-56.9-38.6-177.4169.10000112.7Y266 V269 G271 L277 R278Y266-V274 HydrophobicContact CD1-CG1 4.07Å; Y266-V274 HydrophobicContact CE1-CG1 4.48Å; V269-V274 HydrophobicContact CG1-CG2 4.14Å; G271-V274 WeakPolarHBondContact O-CB 3.03Å; G271-V274 PolarHBondContact O-N 2.95Å; V274-L277 PolarHBondContact O-N 3.34Å; V274-R278 WeakPolarHBondContact O-CB 3.45Å; V274-R278 PolarHBondContact O-N 2.93Å
275F96.6Very high96.8Very high113 Ų11352.9 Ų52.950%0.49626%0.264SS..Hα-helixtrans-69.5-37.7177.5-68.5-79.2000112.5D273 R278 Y279 Y444D273-F275 VanDerWaalsContact C-N 3.3Å; D273-F275 PolarHBondContact O-N 3.44Å; F275-R278 PolarHBondContact O-N 3.35Å; F275-Y279 PolarHBondContact O-N 2.98Å; F275-Y444 VanDerWaalsContact CD1-OH 3.3Å; F275-Y444 WeakPolarHBondContact CD1-OH 3.32Å; F275-Y444 WeakPolarHBondContact CD2-OH 3.29Å; F275-Y444 VanDerWaalsContact CE1-OH 3.25Å; F275-Y444 WeakPolarHBondContact CE1-OH 3.42Å; F275-Y444 WeakPolarHBondContact CE2-OH 3.42Å; F275-Y444 WeakPolarHBondContact CG-OH 3.49Å; F275-Y444 VanDerWaalsContact CZ-OH 3.29Å; F275-Y444 WeakPolarHBondContact CZ-OH 3.45Å
276H95.5Very high96.7Very high95 Ų9555.7 Ų55.744%0.4428%0.282SS..Hα-helixtrans-65.7-41173.8-65.5116.6000111.6D273 Y279 A280D273-H276 WeakPolarHBondContact O-CB 3.33Å; D273-H276 PolarHBondContact O-N 2.69Å; H276-Y279 PolarHBondContact O-N 3.49Å; H276-A280 PolarHBondContact O-N 3.39Å
277L97.7Very high96.5Very high10 Ų1053.8 Ų53.85%0.05227%0.274CS..Hα-helixtrans-66.7-39.7173.6-177.962.3000112.1L265 Y266 V269 D273 V274 Y279 A280 H281 T292L265-L277 HydrophobicContact CD2-CD1 4.26Å; L265-L277 HydrophobicContact CD2-CD2 4.02Å; L265-L277 HydrophobicContact CG-CD2 4.06Å; Y266-L277 HydrophobicContact CD1-CD2 3.9Å; Y266-L277 HydrophobicContact CD1-CG 4.42Å; Y266-L277 HydrophobicContact CE1-CB 4.21Å; Y266-L277 HydrophobicContact CE1-CD2 3.82Å; Y266-L277 HydrophobicContact CE1-CG 3.85Å; V269-L277 HydrophobicContact CB-CD2 4.23Å; V269-L277 HydrophobicContact CG1-CD2 4.13Å; V269-L277 HydrophobicContact CG2-CD2 3.55Å; D273-L277 PolarHBondContact O-N 2.89Å; V274-L277 PolarHBondContact O-N 3.34Å; L277-Y279 VanDerWaalsContact C-N 3.33Å; L277-Y279 PolarHBondContact O-N 3.29Å; L277-A280 PolarHBondContact O-N 2.78Å; L277-H281 VanDerWaalsContact O-CB 3.26Å; L277-H281 WeakPolarHBondContact O-CB 3.37Å; L277-H281 PolarHBondContact O-N 3.4Å; L277-T292 HydrophobicContact CD1-CG2 4.41Å
278R97.9Very high96.3Very high114 Ų11449.6 Ų49.643%0.4326%0.26SS..Hα-helixtrans-61-40.7174.4-175.4-179.4176.4-165.3-1.1111.9Y266 V274 F275 H281 H282Y266-R278 HydrophobicContact CE1-CB 4.39Å; Y266-R278 WeakPolarHBondContact OH-CA 3.21Å; V274-R278 WeakPolarHBondContact O-CB 3.45Å; V274-R278 PolarHBondContact O-N 2.93Å; F275-R278 PolarHBondContact O-N 3.35Å; R278-H281 PolarHBondContact O-N 2.68Å; R278-H282 PolarHBondContact O-N 3.07Å
279Y96.6Very high96.2Very high137 Ų13750 Ų5054%0.53726%0.262SS..Hα-helixtrans-64.6-47.4174.6179.8-105.8000112F275 H276 L277 H281 H282 L283F275-Y279 PolarHBondContact O-N 2.98Å; H276-Y279 PolarHBondContact O-N 3.49Å; L277-Y279 VanDerWaalsContact C-N 3.33Å; L277-Y279 PolarHBondContact O-N 3.29Å; Y279-H281 VanDerWaalsContact C-N 3.33Å; Y279-H281 PolarHBondContact O-N 3.03Å; Y279-H282 PolarHBondContact O-N 3.26Å; Y279-L283 HydrophobicContact CD1-CD1 4.02Å; Y279-L283 HydrophobicContact CE1-CD1 3.44Å; Y279-L283 VanDerWaalsContact CE1-CD1 3.44Å; Y279-L283 HydrophobicContact CE1-CG 4.19Å; Y279-L283 HydrophobicContact CE2-CG 4.49Å; Y279-L283 PolarHBondContact O-N 3.34Å
280A97.6Very high96Very high7 Ų749.8 Ų49.86%0.05826%0.26CS..Hα-helixtrans-61.8-39.5175.800000112.5H276 L277 L283 L284 V290 T292H276-A280 PolarHBondContact O-N 3.39Å; L277-A280 PolarHBondContact O-N 2.78Å; A280-L283 PolarHBondContact O-N 3.15Å; A280-L284 WeakPolarHBondContact O-CB 3.43Å; A280-L284 PolarHBondContact O-N 2.85Å; A280-V290 HydrophobicContact CB-CG1 4.35Å; A280-V290 HydrophobicContact CB-CG2 4.26Å; A280-T292 HydrophobicContact CB-CG2 4.01Å
281H98.3Very high95.9Very high22 Ų2248.9 Ų48.910%0.10226%0.257CS..Hα-helixtrans-64.5-39.6175.3-177.3-158.3000112.2L238 L240 Y266 L277 R278 Y279 L284 L285L238-H281 PolarHBondContact O-NE2 2.59Å; L240-H281 HydrophobicContact CD1-CB 3.86Å; Y266-H281 AromaticContact CE2-ND1 3.94Å; Y266-H281 AromaticContact CZ-ND1 3.86Å; Y266-H281 WeakPolarHBondContact OH-CB 3.26Å; Y266-H281 PolarHBondContact OH-ND1 3.05Å; L277-H281 VanDerWaalsContact O-CB 3.26Å; L277-H281 WeakPolarHBondContact O-CB 3.37Å; L277-H281 PolarHBondContact O-N 3.4Å; R278-H281 PolarHBondContact O-N 2.68Å; Y279-H281 VanDerWaalsContact C-N 3.33Å; Y279-H281 PolarHBondContact O-N 3.03Å; H281-L284 WeakPolarHBondContact O-CB 3.37Å; H281-L284 PolarHBondContact O-N 3.48Å; H281-L285 WeakPolarHBondContact O-CG 3.47Å; H281-L285 PolarHBondContact O-N 3.43Å; H281-L285 VanDerWaalsContact O-N 3.1Å
282H97.1Very high95.9Very high113 Ų11346.9 Ų46.952%0.52323%0.234SC..Hα-helixtrans-63-47.8173.1178.367.4000111.8R278 Y279 L284 L285 V286R278-H282 PolarHBondContact O-N 3.07Å; Y279-H282 PolarHBondContact O-N 3.26Å; H282-L284 VanDerWaalsContact C-N 3.3Å; H282-L284 PolarHBondContact O-N 2.94Å; H282-L285 PolarHBondContact O-N 2.8Å; H282-L285 VanDerWaalsContact O-N 3.17Å; H282-V286 WeakPolarHBondContact O-CG2 3.31Å; H282-V286 PolarHBondContact O-N 3.05Å
283L95.9Very high95.8Very high10 Ų1049.5 Ų49.55%0.05224%0.235CC..Hα-helixtrans-57.7-42.1174.9-74.5177.4000112.3F161 Y279 A280 L285 V286 K287 V290F161-L283 HydrophobicContact CD2-CD1 3.85Å; F161-L283 HydrophobicContact CE2-CD1 4.11Å; Y279-L283 HydrophobicContact CD1-CD1 4.02Å; Y279-L283 HydrophobicContact CE1-CD1 3.44Å; Y279-L283 VanDerWaalsContact CE1-CD1 3.44Å; Y279-L283 HydrophobicContact CE1-CG 4.19Å; Y279-L283 HydrophobicContact CE2-CG 4.49Å; Y279-L283 PolarHBondContact O-N 3.34Å; A280-L283 PolarHBondContact O-N 3.15Å; L283-L285 VanDerWaalsContact C-N 3.33Å; L283-L285 PolarHBondContact O-N 3.25Å; L283-V286 PolarHBondContact O-N 3.39Å; L283-K287 HydrophobicContact CD2-CD 4.49Å; L283-K287 WeakPolarHBondContact O-CB 3.49Å; L283-K287 PolarHBondContact O-N 2.79Å; L283-V290 HydrophobicContact CB-CG2 3.91Å; L283-V290 HydrophobicContact CD1-CG2 4.25Å
284L95.6Very high95.8Very high4 Ų455.5 Ų55.52%0.02126%0.258CS..Hα-helixtrans-58.7-41.9176.2177.360.3000112.3A280 H281 H282 G288 V290 A311 V313 I325A280-L284 WeakPolarHBondContact O-CB 3.43Å; A280-L284 PolarHBondContact O-N 2.85Å; H281-L284 WeakPolarHBondContact O-CB 3.37Å; H281-L284 PolarHBondContact O-N 3.48Å; H282-L284 VanDerWaalsContact C-N 3.3Å; H282-L284 PolarHBondContact O-N 2.94Å; L284-G288 CarbonylContact O-C 3.55Å; L284-G288 WeakPolarHBondContact O-CA 3.38Å; L284-G288 PolarHBondContact O-N 2.96Å; L284-V290 HydrophobicContact CB-CB 4.13Å; L284-V290 HydrophobicContact CB-CG1 3.81Å; L284-V290 HydrophobicContact CD1-CG1 4.32Å; L284-V290 HydrophobicContact CD2-CG1 4.47Å; L284-V290 HydrophobicContact CG-CG1 4.43Å; L284-A311 HydrophobicContact CD1-CB 4.18Å; L284-A311 WeakPolarHBondContact CD1-O 3.44Å; L284-A311 HydrophobicContact CD2-CB 3.72Å; L284-V313 HydrophobicContact CD1-CG2 3.9Å; L284-V313 HydrophobicContact CG-CG2 3.98Å; L284-V313 WeakPolarHBondContact O-CG2 3.4Å; L284-I325 HydrophobicContact CD2-CD1 3.7Å; L284-I325 HydrophobicContact CD2-CG1 3.93Å; L284-I325 HydrophobicContact CD2-CG2 3.85Å
285L94.4Very high95.9Very high85 Ų8553.7 Ų53.745%0.44525%0.247SC..Hα-helixtrans-73.6-32.1178.4-67.5173.7000113L238 H281 H282 L283L238-L285 HydrophobicContact CB-CD2 4.22Å; L238-L285 HydrophobicContact CD2-CD2 4.48Å; H281-L285 WeakPolarHBondContact O-CG 3.47Å; H281-L285 PolarHBondContact O-N 3.43Å; H281-L285 VanDerWaalsContact O-N 3.1Å; H282-L285 PolarHBondContact O-N 2.8Å; H282-L285 VanDerWaalsContact O-N 3.17Å; L283-L285 VanDerWaalsContact C-N 3.33Å; L283-L285 PolarHBondContact O-N 3.25Å
286V93.9Very high95.9Very high67 Ų6750.3 Ų50.341%0.40623%0.23SC..Hα-helixtrans-83.3-38.6-179.2173.80000113R163 H282 L283R163-V286 PolarHBondContact NH1-O 3.02Å; H282-V286 WeakPolarHBondContact O-CG2 3.31Å; H282-V286 PolarHBondContact O-N 3.05Å; L283-V286 PolarHBondContact O-N 3.39Å
287K94Very high96.1Very high15 Ų1546.2 Ų46.27%0.06521%0.212CC..Hα-helixtrans-108.4-14.5-173.5-55.8-167.7-172.6-162.20113.5D132 E135 F161 R163 V182 L283D132-K287 VanDerWaalsContact OD1-CE 3.28Å; D132-K287 WeakPolarHBondContact OD1-CE 3.49Å; D132-K287 IonicContact OD1-NZ 2.77Å; D132-K287 PolarHBondContact OD1-NZ 3.47Å; D132-K287 VanDerWaalsContact OD1-NZ 3.11Å; E135-K287 IonicContact OE1-NZ 2.86Å; E135-K287 PolarHBondContact OE1-NZ 2.68Å; E135-K287 IonicContact OE2-NZ 2.94Å; E135-K287 PolarHBondContact OE2-NZ 2.65Å; F161-K287 HydrophobicContact CB-CD 4.1Å; F161-K287 PolarHBondContact O-NZ 2.9Å; R163-K287 HydrophobicContact CG-CB 4.43Å; V182-K287 HydrophobicContact CG2-CB 4.45Å; V182-K287 WeakPolarHBondContact CG2-O 3.48Å; L283-K287 HydrophobicContact CD2-CD 4.49Å; L283-K287 WeakPolarHBondContact O-CB 3.49Å; L283-K287 PolarHBondContact O-N 2.79Å
288G91.8Very high96.1Very high18 Ų1846 Ų4619%0.18621%0.211CC..SBendtrans90.5-15.5174.600000115.2L284 V313L284-G288 CarbonylContact O-C 3.55Å; L284-G288 WeakPolarHBondContact O-CA 3.38Å; L284-G288 PolarHBondContact O-N 2.96Å; G288-V313 PolarHBondContact O-N 2.95Å
289Q93.6Very high96Very high11 Ų1140.8 Ų40.85%0.05119%0.192CC..EExtended strand (participates in β ladder)trans-145.9153.3174.5-55.5-170.4-91.900110.2V182 L217 A311 T312V182-Q289 HydrophobicContact CB-CB 4.06Å; V182-Q289 HydrophobicContact CB-CG 4.46Å; V182-Q289 HydrophobicContact CG1-CB 4.26Å; V182-Q289 HydrophobicContact CG2-CB 4.04Å; V182-Q289 HydrophobicContact CG2-CG 4.21Å; L217-Q289 HydrophobicContact CD1-CB 3.51Å; Q289-A311 WeakPolarHBondContact CA-O 3.31Å; Q289-T312 HydrophobicContact CG-CG2 4.21Å; Q289-T312 WeakPolarHBondContact CG-OG1 3.11Å; Q289-T312 PolarHBondContact NE2-OG1 3.24Å
290V94.9Very high95.9Very high3 Ų336.3 Ų36.32%0.01818%0.175CC..EExtended strand (participates in β ladder)trans-154.2152.4174.281.20000111.6F161 A280 L283 L284 A311F161-V290 HydrophobicContact CE1-CG2 4.34Å; F161-V290 HydrophobicContact CE2-CG2 3.92Å; F161-V290 HydrophobicContact CZ-CG2 3.84Å; A280-V290 HydrophobicContact CB-CG1 4.35Å; A280-V290 HydrophobicContact CB-CG2 4.26Å; L283-V290 HydrophobicContact CB-CG2 3.91Å; L283-V290 HydrophobicContact CD1-CG2 4.25Å; L284-V290 HydrophobicContact CB-CB 4.13Å; L284-V290 HydrophobicContact CB-CG1 3.81Å; L284-V290 HydrophobicContact CD1-CG1 4.32Å; L284-V290 HydrophobicContact CD2-CG1 4.47Å; L284-V290 HydrophobicContact CG-CG1 4.43Å; V290-A311 HydrophobicContact CG1-CB 4.23Å; V290-A311 PolarHBondContact N-O 3.38Å; V290-A311 PolarHBondContact O-N 3.4Å
291T94.7Very high95.7Very high8 Ų843.3 Ų43.35%0.04920%0.2CC..EExtended strand (participates in β ladder)trans-106.7129.9158.9-53.20000108.6F161 L217 Q308 S309 Y310F161-T291 WeakPolarHBondContact CZ-O 3.26Å; L217-T291 WeakPolarHBondContact CD2-OG1 3.49Å; T291-Q308 HydrophobicContact CG2-CG 3.99Å; T291-S309 CarbonylContact C-O 3.54Å; T291-S309 WeakPolarHBondContact CA-O 3.37Å; T291-Y310 HydrophobicContact CG2-CD1 3.88Å; T291-Y310 HydrophobicContact CG2-CD2 4.41Å; T291-Y310 HydrophobicContact CG2-CE1 3.51Å; T291-Y310 HydrophobicContact CG2-CE2 4.07Å; T291-Y310 HydrophobicContact CG2-CG 4.31Å; T291-Y310 WeakPolarHBondContact OG1-CD1 3.44Å; T291-Y310 WeakPolarHBondContact OG1-CE1 3.4Å
292T96.2Very high95.5Very high11 Ų1142.3 Ų42.37%0.06720%0.195CC..PPolyproline II helixtrans-73.1158.2176.967.80000111.6L277 A280 Y295 Q308 S309L277-T292 HydrophobicContact CD1-CG2 4.41Å; A280-T292 HydrophobicContact CB-CG2 4.01Å; T292-Y295 HydrophobicContact CG2-CE1 4.5Å; T292-Q308 WeakPolarHBondContact O-CG 3.32Å; T292-Q308 PolarHBondContact O-NE2 3.01Å; T292-Q308 VanDerWaalsContact O-NE2 3.12Å; T292-S309 PolarHBondContact N-O 2.91Å; T292-S309 PolarHBondContact OG1-N 3Å
293K94.7Very high95.5Very high143 Ų14336.9 Ų36.962%0.62217%0.17SC*.PPolyproline II helixtrans-60.6163.9150.8-69.2-168.4178.5-173.80109.3Y295K293-Y295 PolarHBondContact O-N 2.86Å
294Y97.5Very high95.6Very high138 Ų13837.3 Ų37.354%0.54117%0.171SC..PPolyproline II helixtrans-60.3131.9168.6-51.4-42.6000109.8V307 Q308 L332Y294-V307 WeakPolarHBondContact CA-O 3.41Å; Y294-Q308 HydrophobicContact CD1-CB 3.95Å; Y294-Q308 HydrophobicContact CD1-CG 4.19Å; Y294-Q308 HydrophobicContact CE1-CB 4.12Å; Y294-Q308 HydrophobicContact CE1-CG 4.23Å; Y294-L332 HydrophobicContact CD1-CD1 3.41Å; Y294-L332 VanDerWaalsContact CD1-CD1 3.41Å; Y294-L332 HydrophobicContact CE1-CD1 3.68Å; Y294-L332 HydrophobicContact CG-CD1 4.06Å
295Y98.5Very high95.7Very high4 Ų437.1 Ų37.12%0.01617%0.17CC..EExtended strand (participates in β ladder)trans-137.3158.4176.774.2-87.1000110.2V269 T292 K293 L297 V307 S309V269-Y295 HydrophobicContact CG1-CD2 4.19Å; V269-Y295 HydrophobicContact CG2-CD2 4.04Å; V269-Y295 HydrophobicContact CG2-CE2 3.9Å; T292-Y295 HydrophobicContact CG2-CE1 4.5Å; K293-Y295 PolarHBondContact O-N 2.86Å; Y295-L297 HydrophobicContact CE2-CB 4.16Å; Y295-L297 HydrophobicContact CE2-CD1 4.37Å; Y295-V307 HydrophobicContact CD1-CB 4.41Å; Y295-V307 WeakPolarHBondContact CD1-O 3.47Å; Y295-V307 HydrophobicContact CE1-CB 3.93Å; Y295-V307 HydrophobicContact CE1-CG1 3.86Å; Y295-V307 HydrophobicContact CE2-CB 4.26Å; Y295-V307 PolarHBondContact N-O 2.98Å; Y295-V307 PolarHBondContact O-N 3.27Å; Y295-S309 WeakPolarHBondContact CE1-OG 3.28Å; Y295-S309 PolarHBondContact OH-OG 3.29Å
296R98.4Very high95.9Very high41 Ų4136.5 Ų36.516%0.15516%0.162CC..EExtended strand (participates in β ladder)trans-94.9119.7179.3-67.1164.5-75.6-169.3-11110.8H270 D273 W304 V305 W306H270-R296 HydrophobicContact CB-CB 3.63Å; H270-R296 PolarHBondContact CE1-NH1 3.17Å; H270-R296 PolarHBondContact N-O 2.76Å; H270-R296 PolarHBondContact ND1-NH2 2.85Å; D273-R296 IonicContact OD1-CZ 3.6Å; D273-R296 IonicContact OD1-NE 3.52Å; D273-R296 IonicContact OD1-NH2 2.75Å; D273-R296 PolarHBondContact OD1-NH2 2.81Å; D273-R296 WeakPolarHBondContact OD2-CB 3.28Å; D273-R296 IonicContact OD2-CZ 2.89Å; D273-R296 PolarHBondContact OD2-N 3.36Å; D273-R296 IonicContact OD2-NE 3.57Å; D273-R296 PolarHBondContact OD2-NE 3.36Å; D273-R296 IonicContact OD2-NH2 3.38Å; R296-W304 HydrophobicContact CB-CB 3.96Å; R296-W304 HydrophobicContact CB-CD2 4.43Å; R296-W304 HydrophobicContact CB-CG 3.77Å; R296-W304 VanDerWaalsContact CG-CD1 3.45Å; R296-W304 HydrophobicContact CG-CD2 4.33Å; R296-W304 HydrophobicContact CG-CG 3.87Å; R296-V305 WeakPolarHBondContact CA-O 3.13Å; R296-W306 HydrophobicContact CG-CD2 3.7Å; R296-W306 HydrophobicContact CG-CE3 3.72Å; R296-W306 HydrophobicContact CG-CG 4.43Å; R296-W306 HydrophobicContact CG-CH2 3.76Å; R296-W306 HydrophobicContact CG-CZ2 3.71Å; R296-W306 HydrophobicContact CG-CZ3 3.75Å
297L97.9Very high96.1Very high9 Ų933.3 Ų33.35%0.04714%0.143CC..EExtended strand (participates in β ladder)trans-94.7121.2170.7-175.172.2000108.2F232 T253 L265 H268 Y295 W304 V305 V307F232-L297 HydrophobicContact CE1-CD2 4.14Å; F232-L297 HydrophobicContact CZ-CD2 3.68Å; T253-L297 HydrophobicContact CG2-CD2 3.77Å; T253-L297 HydrophobicContact CG2-CG 4.42Å; L265-L297 HydrophobicContact CD1-CD1 3.97Å; H268-L297 HydrophobicContact CB-CD1 3.91Å; H268-L297 CarbonylContact O-C 3.23Å; H268-L297 WeakPolarHBondContact O-CA 3.49Å; Y295-L297 HydrophobicContact CE2-CB 4.16Å; Y295-L297 HydrophobicContact CE2-CD1 4.37Å; L297-W304 CarbonylContact O-C 3.6Å; L297-W304 WeakPolarHBondContact O-CA 3.21Å; L297-W304 VanDerWaalsContact O-CB 3.32Å; L297-W304 WeakPolarHBondContact O-CB 3.38Å; L297-V305 HydrophobicContact CB-CG2 4.16Å; L297-V305 PolarHBondContact N-O 2.91Å; L297-V305 PolarHBondContact O-N 2.89Å; L297-V307 HydrophobicContact CB-CG2 3.65Å; L297-V307 HydrophobicContact CD2-CG2 4.12Å
298L97.6Very high96.3Very high7 Ų734.1 Ų34.14%0.03715%0.147CC..EExtended strand (participates in β ladder)trans-62.1145.3-178.9-60.9-179.4000111.1Y255 H268 G303 W304 L342Y255-L298 WeakPolarHBondContact CE2-O 3.3Å; H268-L298 WeakPolarHBondContact O-CG 3.16Å; H268-L298 PolarHBondContact O-N 3.38Å; L298-G303 WeakPolarHBondContact CA-O 3.48Å; L298-W304 HydrophobicContact CD2-CB 4.4Å; L298-L342 HydrophobicContact CD2-CB 4.14Å; L298-L342 HydrophobicContact CD2-CD1 3.81Å
299S96.6Very high96.4Very high4 Ų433.4 Ų33.43%0.02814%0.139CC..PPolyproline II helixtrans-92.2158.3173113.50000111.5T253 Y255 R301 G302 G303 Q346T253-S299 CarbonylContact O-C 3.42Å; T253-S299 WeakPolarHBondContact O-CA 3.28Å; T253-S299 WeakPolarHBondContact O-CB 3.04Å; Y255-S299 VanDerWaalsContact CE2-C 3.5Å; S299-R301 PolarHBondContact O-N 2.8Å; S299-R301 PolarHBondContact OG-N 2.89Å; S299-G302 WeakPolarHBondContact CB-O 3.47Å; S299-G302 PolarHBondContact O-N 3.36Å; S299-G302 PolarHBondContact OG-O 3.36Å; S299-G303 PolarHBondContact N-O 2.95Å; S299-Q346 WeakPolarHBondContact O-CG 3.36Å; S299-Q346 PolarHBondContact O-NE2 3.25Å
300K95.1Very high96.5Very high43 Ų4335.1 Ų35.119%0.18715%0.145CC..THydrogen-bonded Turntrans-61.3-27.9-177.6-173.4170.7-170.6164.90114.4T253 G254 Y255 D259 Q346 T349T253-K300 PolarHBondContact O-N 2.84Å; G254-K300 WeakPolarHBondContact O-CB 3.3Å; G254-K300 WeakPolarHBondContact O-CD 3.36Å; Y255-K300 HydrophobicContact CD1-CB 3.69Å; Y255-K300 HydrophobicContact CD1-CD 3.99Å; Y255-K300 HydrophobicContact CD1-CG 3.77Å; Y255-K300 HydrophobicContact CD2-CB 4.06Å; Y255-K300 HydrophobicContact CE1-CB 3.89Å; Y255-K300 HydrophobicContact CE1-CG 3.88Å; Y255-K300 HydrophobicContact CE2-CB 4.23Å; Y255-K300 HydrophobicContact CG-CB 3.79Å; Y255-K300 HydrophobicContact CG-CG 4.36Å; D259-K300 IonicContact OD1-NZ 3.29Å; D259-K300 PolarHBondContact OD1-NZ 3.3Å; D259-K300 VanDerWaalsContact OD1-NZ 3.09Å; D259-K300 WeakPolarHBondContact OD2-CE 3.49Å; D259-K300 IonicContact OD2-NZ 3.52Å; D259-K300 PolarHBondContact OD2-NZ 2.95Å; K300-Q346 WeakPolarHBondContact O-CA 3.39Å; K300-T349 HydrophobicContact CG-CG2 4.46Å
301R92.8Very high96.4Very high154 Ų15435.4 Ų35.458%0.58115%0.148SC*.THydrogen-bonded Turntrans-106.80.5-171.9-67-176.5177.6-102.41.3114.7S299 Q341S299-R301 PolarHBondContact O-N 2.8Å; S299-R301 PolarHBondContact OG-N 2.89Å; R301-Q341 PolarHBondContact O-NE2 3.42Å
302G94.4Very high96.3Very high0 Ų035.4 Ų35.40%015%0.148CC..SBendtrans123162-171.200000111.4S299 K338 L340S299-G302 WeakPolarHBondContact CB-O 3.47Å; S299-G302 PolarHBondContact O-N 3.36Å; S299-G302 PolarHBondContact OG-O 3.36Å; G302-K338 CarbonylContact C-O 3.54Å; G302-K338 VanDerWaalsContact C-O 3.23Å; G302-K338 WeakPolarHBondContact CA-O 3.15Å; G302-L340 CarbonylContact C-O 3.58Å; G302-L340 WeakPolarHBondContact CA-O 3.25Å
303G96.9Very high96.1Very high0 Ų035.5 Ų35.50%015%0.148CC..SBendtrans67.5-161.7-176.700000114.2L298 S299 E336 Y337 L340 Q346L298-G303 WeakPolarHBondContact CA-O 3.48Å; S299-G303 PolarHBondContact N-O 2.95Å; G303-E336 WeakPolarHBondContact CA-O 3.28Å; G303-Y337 WeakPolarHBondContact CA-O 3.33Å; G303-Y337 PolarHBondContact N-O 3.05Å; G303-L340 PolarHBondContact N-O 3.03Å; G303-Q346 PolarHBondContact O-NE2 3.08Å
304W98.1Very high95.7Very high18 Ų1831.4 Ų31.47%0.06814%0.135CC..EExtended strand (participates in β ladder)trans-154166.4-174.96175.9000113R296 L297 L298 W306 I335 E336 Y337 L340 L342R296-W304 HydrophobicContact CB-CB 3.96Å; R296-W304 HydrophobicContact CB-CD2 4.43Å; R296-W304 HydrophobicContact CB-CG 3.77Å; R296-W304 VanDerWaalsContact CG-CD1 3.45Å; R296-W304 HydrophobicContact CG-CD2 4.33Å; R296-W304 HydrophobicContact CG-CG 3.87Å; L297-W304 CarbonylContact O-C 3.6Å; L297-W304 WeakPolarHBondContact O-CA 3.21Å; L297-W304 VanDerWaalsContact O-CB 3.32Å; L297-W304 WeakPolarHBondContact O-CB 3.38Å; L298-W304 HydrophobicContact CD2-CB 4.4Å; W304-W306 AromaticContact NE1-NE1 3.66Å; W304-I335 CarbonylContact O-C 3.59Å; W304-I335 WeakPolarHBondContact O-CA 3.24Å; W304-E336 PolarHBondContact N-O 3.34Å; W304-E336 VanDerWaalsContact N-O 3.11Å; W304-E336 PolarHBondContact NE1-OE2 3.31Å; W304-E336 PolarHBondContact O-N 2.92Å; W304-Y337 AromaticContact CH2-CD2 3.35Å; W304-Y337 HydrophobicContact CH2-CD2 3.35Å; W304-Y337 AromaticContact CH2-CE2 3.84Å; W304-Y337 HydrophobicContact CH2-CE2 3.84Å; W304-Y337 AromaticContact CH2-CG 3.95Å; W304-Y337 HydrophobicContact CH2-CG 3.95Å; W304-Y337 AromaticContact CZ2-CD2 3.29Å; W304-Y337 HydrophobicContact CZ2-CD2 3.29Å; W304-Y337 AromaticContact CZ2-CE2 3.59Å; W304-Y337 HydrophobicContact CZ2-CE2 3.59Å; W304-Y337 HydrophobicContact CZ2-CG 4.3Å; W304-Y337 HydrophobicContact CZ3-CD2 4.12Å; W304-Y337 HydrophobicContact CZ3-CG 4.42Å; W304-L340 HydrophobicContact CZ3-CD2 4.06Å; W304-L342 HydrophobicContact CE3-CD1 3.72Å; W304-L342 HydrophobicContact CZ3-CD1 3.79Å
305V98.2Very high95.1Very high1 Ų129 Ų291%0.00613%0.129CC..EExtended strand (participates in β ladder)trans-114.6148.7161.6-65.20000110.5V252 T253 R296 L297 V307 V331 I335V252-V305 WeakPolarHBondContact O-CG1 3.36Å; T253-V305 HydrophobicContact CG2-CG2 4.11Å; R296-V305 WeakPolarHBondContact CA-O 3.13Å; L297-V305 HydrophobicContact CB-CG2 4.16Å; L297-V305 PolarHBondContact N-O 2.91Å; L297-V305 PolarHBondContact O-N 2.89Å; V305-V307 HydrophobicContact CG2-CG2 3.92Å; V305-V331 HydrophobicContact CB-CG1 3.89Å; V305-V331 HydrophobicContact CG1-CG1 4.25Å; V305-V331 HydrophobicContact CG2-CG1 4.05Å; V305-I335 HydrophobicContact CG1-CB 4.26Å; V305-I335 HydrophobicContact CG1-CG1 3.64Å
306W98.4Very high94.3Very high71 Ų7131.2 Ų31.227%0.26914%0.141SC..EExtended strand (participates in β ladder)trans-79.3134.9169.8-72.193.9000111.1R296 W304 L332 T333 E336R296-W306 HydrophobicContact CG-CD2 3.7Å; R296-W306 HydrophobicContact CG-CE3 3.72Å; R296-W306 HydrophobicContact CG-CG 4.43Å; R296-W306 HydrophobicContact CG-CH2 3.76Å; R296-W306 HydrophobicContact CG-CZ2 3.71Å; R296-W306 HydrophobicContact CG-CZ3 3.75Å; W304-W306 AromaticContact NE1-NE1 3.66Å; W306-L332 HydrophobicContact CB-CB 4.1Å; W306-L332 HydrophobicContact CB-CD1 4.48Å; W306-L332 PolarHBondContact O-N 3.44Å; W306-T333 HydrophobicContact CB-CG2 4.07Å; W306-T333 HydrophobicContact CG-CG2 4.22Å; W306-T333 PolarHBondContact N-OG1 2.88Å; W306-E336 PolarHBondContact NE1-OE1 2.99Å; W306-E336 PolarHBondContact NE1-OE2 3.04Å
307V98.3Very high93.3Very high0 Ų035 Ų350%017%0.174CC..EExtended strand (participates in β ladder)trans-132.1142.5-175.3-175.90000110.9Y294 Y295 L297 V305 N329 Y330 V331Y294-V307 WeakPolarHBondContact CA-O 3.41Å; Y295-V307 HydrophobicContact CD1-CB 4.41Å; Y295-V307 WeakPolarHBondContact CD1-O 3.47Å; Y295-V307 HydrophobicContact CE1-CB 3.93Å; Y295-V307 HydrophobicContact CE1-CG1 3.86Å; Y295-V307 HydrophobicContact CE2-CB 4.26Å; Y295-V307 PolarHBondContact N-O 2.98Å; Y295-V307 PolarHBondContact O-N 3.27Å; L297-V307 HydrophobicContact CB-CG2 3.65Å; L297-V307 HydrophobicContact CD2-CG2 4.12Å; V305-V307 HydrophobicContact CG2-CG2 3.92Å; V307-N329 HydrophobicContact CG1-CB 3.91Å; V307-Y330 VanDerWaalsContact CA-O 3.31Å; V307-Y330 WeakPolarHBondContact CA-O 3.38Å; V307-V331 HydrophobicContact CG2-CG2 4.47Å
308Q97Very high92.4Very high32 Ų3245.7 Ų45.715%0.1521%0.213CC..EExtended strand (participates in β ladder)trans-116.8131.3158.6-163.9173.334.100110.2T291 T292 Y294 Y310 Y330 L332T291-Q308 HydrophobicContact CG2-CG 3.99Å; T292-Q308 WeakPolarHBondContact O-CG 3.32Å; T292-Q308 PolarHBondContact O-NE2 3.01Å; T292-Q308 VanDerWaalsContact O-NE2 3.12Å; Y294-Q308 HydrophobicContact CD1-CB 3.95Å; Y294-Q308 HydrophobicContact CD1-CG 4.19Å; Y294-Q308 HydrophobicContact CE1-CB 4.12Å; Y294-Q308 HydrophobicContact CE1-CG 4.23Å; Q308-Y310 HydrophobicContact CB-CE2 4.47Å; Q308-Y310 HydrophobicContact CG-CE2 4.02Å; Q308-Y310 PolarHBondContact OE1-OH 3.28Å; Q308-Y310 VanDerWaalsContact OE1-OH 3.08Å; Q308-Y330 PolarHBondContact N-O 3.1Å; Q308-Y330 PolarHBondContact O-N 3.19Å; Q308-L332 HydrophobicContact CB-CD1 4.41Å
309S95.5Very high91.6Very high3 Ų348 Ų482%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-113.7132.3-178.2-66.10000112T291 T292 Y295 V328 N329T291-S309 CarbonylContact C-O 3.54Å; T291-S309 WeakPolarHBondContact CA-O 3.37Å; T292-S309 PolarHBondContact N-O 2.91Å; T292-S309 PolarHBondContact OG1-N 3Å; Y295-S309 WeakPolarHBondContact CE1-OG 3.28Å; Y295-S309 PolarHBondContact OH-OG 3.29Å; S309-V328 CarbonylContact C-O 3.58Å; S309-V328 WeakPolarHBondContact CA-O 3.26Å; S309-N329 WeakPolarHBondContact CB-OD1 3.37Å; S309-N329 PolarHBondContact OG-OD1 3.11Å
310Y94.1Very high90.7Very high48 Ų4852.4 Ų52.419%0.18826%0.261CS..EExtended strand (participates in β ladder)trans-108.399.7173.2-66.3-103.5000106.9P218 T291 Q308 S327 V328 Y330P218-Y310 HydrophobicContact CG-CD1 4.36Å; T291-Y310 HydrophobicContact CG2-CD1 3.88Å; T291-Y310 HydrophobicContact CG2-CD2 4.41Å; T291-Y310 HydrophobicContact CG2-CE1 3.51Å; T291-Y310 HydrophobicContact CG2-CE2 4.07Å; T291-Y310 HydrophobicContact CG2-CG 4.31Å; T291-Y310 WeakPolarHBondContact OG1-CD1 3.44Å; T291-Y310 WeakPolarHBondContact OG1-CE1 3.4Å; Q308-Y310 HydrophobicContact CB-CE2 4.47Å; Q308-Y310 HydrophobicContact CG-CE2 4.02Å; Q308-Y310 PolarHBondContact OE1-OH 3.28Å; Q308-Y310 VanDerWaalsContact OE1-OH 3.08Å; Y310-S327 WeakPolarHBondContact O-CA 3.48Å; Y310-V328 PolarHBondContact N-O 3.35Å; Y310-V328 PolarHBondContact O-N 3.01Å; Y310-Y330 AromaticContact CD2-CD2 3.61Å; Y310-Y330 HydrophobicContact CD2-CD2 3.61Å; Y310-Y330 AromaticContact CD2-CE2 3.55Å; Y310-Y330 HydrophobicContact CD2-CE2 3.55Å; Y310-Y330 AromaticContact CE2-CD2 3.67Å; Y310-Y330 HydrophobicContact CE2-CD2 3.67Å; Y310-Y330 AromaticContact CE2-CE2 3.75Å; Y310-Y330 HydrophobicContact CE2-CE2 3.75Å; Y310-Y330 HydrophobicContact CG-CE2 4.43Å
311A93.6Very high90Very high8 Ų859.3 Ų59.37%0.06629%0.286CS..EExtended strand (participates in β ladder)trans-111.8151.3-169.900000112L284 Q289 V290 I325 V326L284-A311 HydrophobicContact CD1-CB 4.18Å; L284-A311 WeakPolarHBondContact CD1-O 3.44Å; L284-A311 HydrophobicContact CD2-CB 3.72Å; Q289-A311 WeakPolarHBondContact CA-O 3.31Å; V290-A311 HydrophobicContact CG1-CB 4.23Å; V290-A311 PolarHBondContact N-O 3.38Å; V290-A311 PolarHBondContact O-N 3.4Å; A311-I325 HydrophobicContact CB-CG2 4.33Å; A311-V326 WeakPolarHBondContact CA-O 3.46Å
312T92.7Very high89.4Confident9 Ų955.2 Ų55.26%0.05528%0.279CS..EExtended strand (participates in β ladder)trans-151.3137.6-172-76.40000111L175 Q289 I325 V326L175-T312 HydrophobicContact CD1-CG2 3.45Å; L175-T312 VanDerWaalsContact CD1-CG2 3.45Å; Q289-T312 HydrophobicContact CG-CG2 4.21Å; Q289-T312 WeakPolarHBondContact CG-OG1 3.11Å; Q289-T312 PolarHBondContact NE2-OG1 3.24Å; T312-I325 WeakPolarHBondContact O-CA 3.47Å; T312-V326 PolarHBondContact N-O 3.26Å; T312-V326 PolarHBondContact O-N 3.43Å
313V91.6Very high89Confident13 Ų1360.9 Ų60.98%0.07931%0.305CS..EExtended strand (participates in β ladder)trans-84.7110.2174.2-178.40000109.8L238 L284 G288 H315 P322 I325L238-V313 HydrophobicContact CD2-CG1 4.27Å; L284-V313 HydrophobicContact CD1-CG2 3.9Å; L284-V313 HydrophobicContact CG-CG2 3.98Å; L284-V313 WeakPolarHBondContact O-CG2 3.4Å; G288-V313 PolarHBondContact O-N 2.95Å; V313-H315 PolarHBondContact O-CE1 2.99Å; V313-H315 PolarHBondContact O-ND1 2.66Å; V313-P322 HydrophobicContact CG1-CB 3.78Å; V313-P322 HydrophobicContact CG1-CG 4.34Å; V313-I325 HydrophobicContact CG2-CG1 4.42Å
314V86.9Confident88.7Confident57 Ų5761.4 Ų61.435%0.34531%0.309SS..EExtended strand (participates in β ladder)trans-83.8129.4173175.80000109.2H323 C324 V326V314-H323 WeakPolarHBondContact O-CB 3.38Å; V314-H323 PolarHBondContact O-N 3.41Å; V314-C324 PolarHBondContact N-O 3.35Å; V314-C324 PolarHBondContact O-N 3Å; V314-V326 HydrophobicContact CB-CG2 4.4Å; V314-V326 HydrophobicContact CG2-CB 4.4Å; V314-V326 HydrophobicContact CG2-CG2 3.61Å
315H84.6Confident88.6Confident87 Ų8760.5 Ų60.540%0.40331%0.306SS..EExtended strand (participates in β ladder)trans-99146.8-178.5-64.468.9000110.7V313 S317 S320 R321V313-H315 PolarHBondContact O-CE1 2.99Å; V313-H315 PolarHBondContact O-ND1 2.66Å; H315-S317 PolarHBondContact O-N 3.37Å; H315-S320 PolarHBondContact CD2-O 3.47Å; H315-R321 WeakPolarHBondContact CA-O 3.23Å
316N82.2Confident88.3Confident50 Ų5060.8 Ų60.827%0.26731%0.307SS..PPolyproline II helixtrans-69122.7178.2-173.6-51.3000110.3R318 S319 S320 R321 H323N316-R318 PolarHBondContact O-N 3.27Å; N316-R318 VanDerWaalsContact O-N 3.14Å; N316-R318 PolarHBondContact OD1-N 2.77Å; N316-S319 WeakPolarHBondContact CB-OG 3.22Å; N316-S319 PolarHBondContact O-N 3.23Å; N316-S319 PolarHBondContact OD1-N 2.57Å; N316-S320 VanDerWaalsContact O-CA 3.32Å; N316-S320 WeakPolarHBondContact O-CA 3.26Å; N316-S320 PolarHBondContact O-N 3.16Å; N316-R321 PolarHBondContact N-O 2.97Å; N316-H323 HydrophobicContact CB-CB 4.28Å
317S76.8Confident88.1Confident122 Ų12257.4 Ų57.485%0.85330%0.295SS*.THydrogen-bonded Turntrans-63.2-20-175.7560000115H315H315-S317 PolarHBondContact O-N 3.37Å
318R79.3Confident87.8Confident232 Ų23257.6 Ų57.688%0.87530%0.296SS*.THydrogen-bonded Turntrans-98.4-31.8179.5-70.2-173.3-73177.7-4.4114N316N316-R318 PolarHBondContact O-N 3.27Å; N316-R318 VanDerWaalsContact O-N 3.14Å; N316-R318 PolarHBondContact OD1-N 2.77Å
319S80.8Confident87.7Confident56 Ų5656.1 Ų56.139%0.39229%0.289SS..THydrogen-bonded Turntrans-114.4-0.3-174.3650000114.9N316 R321N316-S319 WeakPolarHBondContact CB-OG 3.22Å; N316-S319 PolarHBondContact O-N 3.23Å; N316-S319 PolarHBondContact OD1-N 2.57Å; S319-R321 PolarHBondContact O-N 3.21Å
320S77.4Confident87.8Confident97 Ų9759.7 Ų59.768%0.67830%0.302SS*.  trans53.1-3.5-173.170.60000117H315 N316H315-S320 PolarHBondContact CD2-O 3.47Å; N316-S320 VanDerWaalsContact O-CA 3.32Å; N316-S320 WeakPolarHBondContact O-CA 3.26Å; N316-S320 PolarHBondContact O-N 3.16Å
321R80.8Confident87.9Confident188 Ų18857.8 Ų57.871%0.70930%0.296SS*.SBendtrans-69.3146.2177-65.5-176.5-178.8-175.3-1.1111.6H315 N316 S319 H323H315-R321 WeakPolarHBondContact CA-O 3.23Å; N316-R321 PolarHBondContact N-O 2.97Å; S319-R321 PolarHBondContact O-N 3.21Å; R321-H323 PolarHBondContact O-N 2.9Å
322P80.3Confident88.1Confident67 Ų6761.4 Ų61.444%0.43531%0.313SS..EExtended strand (participates in β ladder)trans-48.5132165.9-29.637.4000111.5L238 V313L238-P322 HydrophobicContact CD1-CB 3.8Å; L238-P322 HydrophobicContact CD2-CB 4.05Å; V313-P322 HydrophobicContact CG1-CB 3.78Å; V313-P322 HydrophobicContact CG1-CG 4.34Å
323H84.8Confident88.3Confident119 Ų11963 Ų6355%0.55132%0.324SS*.EExtended strand (participates in β ladder)trans-110.7-49.4-176.9-179.318.3000112.2V314 N316 R321V314-H323 WeakPolarHBondContact O-CB 3.38Å; V314-H323 PolarHBondContact O-N 3.41Å; N316-H323 HydrophobicContact CB-CB 4.28Å; R321-H323 PolarHBondContact O-N 2.9Å
324C92.4Very high88.5Confident11 Ų1169.9 Ų69.97%0.07436%0.355CS..EExtended strand (participates in β ladder)trans-159.1160.1-178.456.70000110.9A236 I243 V314A236-C324 CarbonylContact O-C 3.58Å; A236-C324 WeakPolarHBondContact O-CA 3.49Å; A236-C324 VanDerWaalsContact O-CB 3.28Å; A236-C324 WeakPolarHBondContact O-CB 3.45Å; I243-C324 HydrophobicContact CD1-CB 4.49Å; V314-C324 PolarHBondContact N-O 3.35Å; V314-C324 PolarHBondContact O-N 3Å
325I94.1Very high89Confident0 Ų069 Ų690%035%0.348CS..EExtended strand (participates in β ladder)trans-86.6140.7163.4-67.9166.2000107.9F234 R235 A236 L238 L240 L284 A311 T312 V313F234-I325 HydrophobicContact CE2-CG2 4.43Å; R235-I325 CarbonylContact C-O 3.56Å; R235-I325 VanDerWaalsContact CA-O 3.32Å; R235-I325 WeakPolarHBondContact CA-O 3.27Å; A236-I325 HydrophobicContact CB-CB 4.33Å; A236-I325 PolarHBondContact N-O 3.49Å; A236-I325 PolarHBondContact O-N 2.77Å; L238-I325 HydrophobicContact CD2-CG1 4.35Å; L240-I325 HydrophobicContact CD2-CD1 3.74Å; L240-I325 HydrophobicContact CD2-CG2 4.22Å; L240-I325 HydrophobicContact CG-CD1 4.19Å; L284-I325 HydrophobicContact CD2-CD1 3.7Å; L284-I325 HydrophobicContact CD2-CG1 3.93Å; L284-I325 HydrophobicContact CD2-CG2 3.85Å; A311-I325 HydrophobicContact CB-CG2 4.33Å; T312-I325 WeakPolarHBondContact O-CA 3.47Å; V313-I325 HydrophobicContact CG2-CG1 4.42Å
326V92.7Very high89.6Confident6 Ų667.9 Ų67.94%0.03634%0.342CS..EExtended strand (participates in β ladder)trans-124.3138.5165.1-166.90000108I222 M233 F234 R235 A311 T312 V314I222-V326 HydrophobicContact CB-CB 4.34Å; I222-V326 HydrophobicContact CB-CG1 3.77Å; I222-V326 HydrophobicContact CD1-CB 4.26Å; I222-V326 HydrophobicContact CD1-CG1 4.4Å; I222-V326 WeakPolarHBondContact CD1-O 3.33Å; I222-V326 HydrophobicContact CG2-CB 4.45Å; I222-V326 HydrophobicContact CG2-CG1 3.49Å; I222-V326 VanDerWaalsContact CG2-CG1 3.49Å; M233-V326 HydrophobicContact CG-CG1 4.18Å; M233-V326 HydrophobicContact SD-CG1 4.04Å; F234-V326 WeakPolarHBondContact O-CA 3.21Å; F234-V326 WeakPolarHBondContact O-CG1 3.24Å; R235-V326 HydrophobicContact CG-CG1 4.18Å; R235-V326 HydrophobicContact CG-CG2 4.12Å; A311-V326 WeakPolarHBondContact CA-O 3.46Å; T312-V326 PolarHBondContact N-O 3.26Å; T312-V326 PolarHBondContact O-N 3.43Å; V314-V326 HydrophobicContact CB-CG2 4.4Å; V314-V326 HydrophobicContact CG2-CB 4.4Å; V314-V326 HydrophobicContact CG2-CG2 3.61Å
327S93.9Very high90.3Very high1 Ų172.8 Ų72.81%0.00736%0.358CS..EExtended strand (participates in β ladder)trans-135.2133-176.1-172.10000111.8M233 F234 Y310 N329M233-S327 VanDerWaalsContact CA-O 3.31Å; M233-S327 WeakPolarHBondContact CA-O 3.48Å; F234-S327 PolarHBondContact N-O 3.01Å; F234-S327 PolarHBondContact O-N 3.48Å; Y310-S327 WeakPolarHBondContact O-CA 3.48Å; S327-N329 PolarHBondContact O-ND2 3.3Å; S327-N329 PolarHBondContact OG-OD1 2.82Å
328V93Very high91.1Very high4 Ų472.1 Ų72.12%0.02434%0.34CS..EExtended strand (participates in β ladder)trans-93.7130.5162-176.10000108.2I222 I225 L227 M231 S309 Y310 Y330I222-V328 HydrophobicContact CB-CG2 4.38Å; I222-V328 HydrophobicContact CD1-CG2 4.49Å; I222-V328 HydrophobicContact CG1-CG2 4.24Å; I222-V328 HydrophobicContact CG2-CG2 3.4Å; I222-V328 VanDerWaalsContact CG2-CG2 3.4Å; I225-V328 HydrophobicContact CD1-CG2 3.74Å; L227-V328 HydrophobicContact CD2-CG1 3.99Å; M231-V328 HydrophobicContact CE-CG1 3.35Å; S309-V328 CarbonylContact C-O 3.58Å; S309-V328 WeakPolarHBondContact CA-O 3.26Å; Y310-V328 PolarHBondContact N-O 3.35Å; Y310-V328 PolarHBondContact O-N 3.01Å; V328-Y330 HydrophobicContact CB-CE2 4.41Å; V328-Y330 HydrophobicContact CG1-CD2 4.14Å; V328-Y330 HydrophobicContact CG1-CE2 3.66Å
329N95.3Very high91.8Very high0 Ų069 Ų690%034%0.335CS..EExtended strand (participates in β ladder)trans-123.4113.5-173.1-43.7-78.4000108.2M231 F232 F234 V307 S309 S327M231-N329 WeakPolarHBondContact CA-O 3.47Å; F232-N329 HydrophobicContact CD1-CB 3.98Å; F232-N329 HydrophobicContact CD2-CB 4.3Å; F232-N329 HydrophobicContact CE1-CB 3.55Å; F232-N329 HydrophobicContact CE2-CB 3.91Å; F232-N329 HydrophobicContact CG-CB 4.33Å; F232-N329 HydrophobicContact CZ-CB 3.51Å; F232-N329 PolarHBondContact N-O 3.38Å; F232-N329 VanDerWaalsContact N-O 3.16Å; F232-N329 WeakPolarHBondContact O-CB 3.4Å; F232-N329 PolarHBondContact O-N 3.22Å; F232-N329 PolarHBondContact O-ND2 3.4Å; F234-N329 WeakPolarHBondContact CD1-ND2 3.38Å; F234-N329 WeakPolarHBondContact CE1-OD1 3.15Å; V307-N329 HydrophobicContact CG1-CB 3.91Å; S309-N329 WeakPolarHBondContact CB-OD1 3.37Å; S309-N329 PolarHBondContact OG-OD1 3.11Å; S327-N329 PolarHBondContact O-ND2 3.3Å; S327-N329 PolarHBondContact OG-OD1 2.82Å
330Y95.7Very high92.4Very high78 Ų7870 Ų7031%0.30634%0.336SS..EExtended strand (participates in β ladder)trans-90.5118.9177.9-69.4-102.7000108.5M231 V307 Q308 Y310 V328M231-Y330 HydrophobicContact CE-CD1 4.06Å; M231-Y330 HydrophobicContact CE-CD2 4.45Å; M231-Y330 HydrophobicContact CE-CE1 3.45Å; M231-Y330 VanDerWaalsContact CE-CE1 3.45Å; M231-Y330 HydrophobicContact CE-CE2 3.9Å; M231-Y330 HydrophobicContact CG-CD1 3.9Å; M231-Y330 HydrophobicContact CG-CE1 4.16Å; M231-Y330 HydrophobicContact CG-CG 4.4Å; M231-Y330 HydrophobicContact SD-CD1 3.92Å; M231-Y330 HydrophobicContact SD-CE1 3.55Å; M231-Y330 VanDerWaalsContact SD-CE1 3.55Å; V307-Y330 VanDerWaalsContact CA-O 3.31Å; V307-Y330 WeakPolarHBondContact CA-O 3.38Å; Q308-Y330 PolarHBondContact N-O 3.1Å; Q308-Y330 PolarHBondContact O-N 3.19Å; Y310-Y330 AromaticContact CD2-CD2 3.61Å; Y310-Y330 HydrophobicContact CD2-CD2 3.61Å; Y310-Y330 AromaticContact CD2-CE2 3.55Å; Y310-Y330 HydrophobicContact CD2-CE2 3.55Å; Y310-Y330 AromaticContact CE2-CD2 3.67Å; Y310-Y330 HydrophobicContact CE2-CD2 3.67Å; Y310-Y330 AromaticContact CE2-CE2 3.75Å; Y310-Y330 HydrophobicContact CE2-CE2 3.75Å; Y310-Y330 HydrophobicContact CG-CE2 4.43Å; V328-Y330 HydrophobicContact CB-CE2 4.41Å; V328-Y330 HydrophobicContact CG1-CD2 4.14Å; V328-Y330 HydrophobicContact CG1-CE2 3.66Å
331V97.3Very high93.2Very high9 Ų968.8 Ų68.86%0.05532%0.32CS..EExtended strand (participates in β ladder)trans-85.9128173.3-176.90000108.5N230 F232 V252 V305 V307 T333N230-V331 PolarHBondContact ND2-O 2.73Å; N230-V331 WeakPolarHBondContact O-CB 3.41Å; N230-V331 PolarHBondContact O-N 2.65Å; F232-V331 HydrophobicContact CD1-CG2 4.02Å; F232-V331 HydrophobicContact CE1-CG2 3.9Å; V252-V331 HydrophobicContact CB-CG1 4.38Å; V252-V331 HydrophobicContact CB-CG2 3.99Å; V252-V331 HydrophobicContact CG1-CG2 4.26Å; V252-V331 HydrophobicContact CG2-CG2 3.85Å; V305-V331 HydrophobicContact CB-CG1 3.89Å; V305-V331 HydrophobicContact CG1-CG1 4.25Å; V305-V331 HydrophobicContact CG2-CG1 4.05Å; V307-V331 HydrophobicContact CG2-CG2 4.47Å; V331-T333 VanDerWaalsContact CG1-O 3.28Å; V331-T333 WeakPolarHBondContact CG1-O 3.45Å
332L97.1Very high93.8Very high83 Ų8363.4 Ų63.444%0.43531%0.305SS..  trans-105.4-21.2-169-52.4178.6000112.6Y294 W306 Q308Y294-L332 HydrophobicContact CD1-CD1 3.41Å; Y294-L332 VanDerWaalsContact CD1-CD1 3.41Å; Y294-L332 HydrophobicContact CE1-CD1 3.68Å; Y294-L332 HydrophobicContact CG-CD1 4.06Å; W306-L332 HydrophobicContact CB-CB 4.1Å; W306-L332 HydrophobicContact CB-CD1 4.48Å; W306-L332 PolarHBondContact O-N 3.44Å; Q308-L332 HydrophobicContact CB-CD1 4.41Å
333T97.1Very high94.2Very high44 Ų4461.5 Ų61.527%0.2729%0.293SS..SBendtrans-138.1157.9-179.565.30000111.5W306 V331W306-T333 HydrophobicContact CB-CG2 4.07Å; W306-T333 HydrophobicContact CG-CG2 4.22Å; W306-T333 PolarHBondContact N-OG1 2.88Å; V331-T333 VanDerWaalsContact CG1-O 3.28Å; V331-T333 WeakPolarHBondContact CG1-O 3.45Å
334E96.1Very high94.3Very high156 Ų15662.8 Ų62.873%0.72930%0.303SS*.SBendtrans-58.3168.5155.5-70.7-63.8148.200111.4E336E334-E336 PolarHBondContact O-N 2.94Å; E334-E336 VanDerWaalsContact O-N 3.11Å
335I97.1Very high93.9Very high39 Ų3964.7 Ų64.720%0.231%0.311CS..  trans-66.4111.7176.5-56.1163.4000110W304 V305 K338W304-I335 CarbonylContact O-C 3.59Å; W304-I335 WeakPolarHBondContact O-CA 3.24Å; V305-I335 HydrophobicContact CG1-CB 4.26Å; V305-I335 HydrophobicContact CG1-CG1 3.64Å; I335-K338 HydrophobicContact CB-CG 4.07Å; I335-K338 HydrophobicContact CG2-CG 3.68Å; I335-K338 VanDerWaalsContact O-CE 3.28Å; I335-K338 WeakPolarHBondContact O-CE 3.41Å
336E97.5Very high93.6Very high63 Ų6364.7 Ų64.729%0.29431%0.311SS..BIsolated β-bridgetrans-81.3148.1173.2-54.2-175157.900110.3G303 W304 W306 E334 K338G303-E336 WeakPolarHBondContact CA-O 3.28Å; W304-E336 PolarHBondContact N-O 3.34Å; W304-E336 VanDerWaalsContact N-O 3.11Å; W304-E336 PolarHBondContact NE1-OE2 3.31Å; W304-E336 PolarHBondContact O-N 2.92Å; W306-E336 PolarHBondContact NE1-OE1 2.99Å; W306-E336 PolarHBondContact NE1-OE2 3.04Å; E334-E336 PolarHBondContact O-N 2.94Å; E334-E336 VanDerWaalsContact O-N 3.11Å; E336-K338 PolarHBondContact O-N 3.49Å
337Y96.1Very high93Very high153 Ų15367.2 Ų67.260%0.633%0.326SS*.SBendtrans51.244.4174.6-57-87.8000115.3G303 W304 E339 L340G303-Y337 WeakPolarHBondContact CA-O 3.33Å; G303-Y337 PolarHBondContact N-O 3.05Å; W304-Y337 AromaticContact CH2-CD2 3.35Å; W304-Y337 HydrophobicContact CH2-CD2 3.35Å; W304-Y337 AromaticContact CH2-CE2 3.84Å; W304-Y337 HydrophobicContact CH2-CE2 3.84Å; W304-Y337 AromaticContact CH2-CG 3.95Å; W304-Y337 HydrophobicContact CH2-CG 3.95Å; W304-Y337 AromaticContact CZ2-CD2 3.29Å; W304-Y337 HydrophobicContact CZ2-CD2 3.29Å; W304-Y337 AromaticContact CZ2-CE2 3.59Å; W304-Y337 HydrophobicContact CZ2-CE2 3.59Å; W304-Y337 HydrophobicContact CZ2-CG 4.3Å; W304-Y337 HydrophobicContact CZ3-CD2 4.12Å; W304-Y337 HydrophobicContact CZ3-CG 4.42Å; Y337-E339 PolarHBondContact O-N 2.89Å; Y337-L340 WeakPolarHBondContact O-CB 3.47Å; Y337-L340 PolarHBondContact O-N 3.44Å
338K94.6Very high91.6Very high109 Ų10970.7 Ų70.747%0.47435%0.351SS..THydrogen-bonded Turntrans-45.2-36.2-174.4-71.1174.3177175.30116.1G302 I335 E336G302-K338 CarbonylContact C-O 3.54Å; G302-K338 VanDerWaalsContact C-O 3.23Å; G302-K338 WeakPolarHBondContact CA-O 3.15Å; I335-K338 HydrophobicContact CB-CG 4.07Å; I335-K338 HydrophobicContact CG2-CG 3.68Å; I335-K338 VanDerWaalsContact O-CE 3.28Å; I335-K338 WeakPolarHBondContact O-CE 3.41Å; E336-K338 PolarHBondContact O-N 3.49Å
339E93Very high89.9Confident166 Ų16671.5 Ų71.578%0.77636%0.355SS*.THydrogen-bonded Turntrans-80.5-19-179.3-48.4-47.4122.800113.7Y337 Q341Y337-E339 PolarHBondContact O-N 2.89Å; E339-Q341 PolarHBondContact O-N 3.37Å; E339-Q341 PolarHBondContact O-NE2 2.94Å
340L94.4Very high87.8Confident78 Ų7874.2 Ų74.241%0.40838%0.378SS..  trans-77.3108.9-172.4179.456.2000111.4G302 G303 W304 Y337 L342G302-L340 CarbonylContact C-O 3.58Å; G302-L340 WeakPolarHBondContact CA-O 3.25Å; G303-L340 PolarHBondContact N-O 3.03Å; W304-L340 HydrophobicContact CZ3-CD2 4.06Å; Y337-L340 WeakPolarHBondContact O-CB 3.47Å; Y337-L340 PolarHBondContact O-N 3.44Å; L340-L342 HydrophobicContact CD1-CD2 4.27Å; L340-L342 HydrophobicContact CD2-CD2 4.23Å; L340-L342 HydrophobicContact CG-CD2 3.96Å; L340-L342 HydrophobicContact CG-CG 4.21Å
341Q94.3Very high85.5Confident71 Ų7178.3 Ų78.333%0.33240%0.397SS..  trans-83.3122.1177.8-49.4-57.1-56.800110.3R301 E339 V347R301-Q341 PolarHBondContact O-NE2 3.42Å; E339-Q341 PolarHBondContact O-N 3.37Å; E339-Q341 PolarHBondContact O-NE2 2.94Å; Q341-V347 HydrophobicContact CB-CG2 3.78Å; Q341-V347 HydrophobicContact CG-CG2 4.11Å
342L92.7Very high83Confident75 Ų7581.3 Ų81.339%0.39342%0.418SS..  trans-118.3-20.1-179.3-63.9-178.1000113.6H270 L298 W304 L340H270-L342 VanDerWaalsContact CD2-CD1 3.47Å; H270-L342 WeakPolarHBondContact CD2-CD1 3.46Å; L298-L342 HydrophobicContact CD2-CB 4.14Å; L298-L342 HydrophobicContact CD2-CD1 3.81Å; W304-L342 HydrophobicContact CE3-CD1 3.72Å; W304-L342 HydrophobicContact CZ3-CD1 3.79Å; L340-L342 HydrophobicContact CD1-CD2 4.27Å; L340-L342 HydrophobicContact CD2-CD2 4.23Å; L340-L342 HydrophobicContact CG-CD2 3.96Å; L340-L342 HydrophobicContact CG-CG 4.21Å
343S89.9Confident80.4Confident26 Ų2682.8 Ų82.818%0.18242%0.423CS..SBendtrans-130.6155.6172.887.10000112.6E345 Q346S343-E345 PolarHBondContact O-N 3.31Å; S343-Q346 PolarHBondContact O-N 3.1Å
344L86.9Confident77.8Confident147 Ų14786.1 Ų86.177%0.7744%0.439SS*.Hα-helixtrans-59.8-28.2180-174.863.1000112.7V347 S348L344-V347 PolarHBondContact O-N 3.48Å; L344-S348 PolarHBondContact O-N 3Å
345E83.2Confident74.9Confident50 Ų5083 Ų8323%0.23444%0.435CS..Hα-helixtrans-66-39.7178.9-52.3-159.6159.700111.8K263 H268 S343 S348 T349K263-E345 WeakPolarHBondContact CE-OE1 3.33Å; K263-E345 IonicContact NZ-OE1 2.72Å; K263-E345 PolarHBondContact NZ-OE1 3.27Å; K263-E345 IonicContact NZ-OE2 3.46Å; K263-E345 PolarHBondContact NZ-OE2 3.27Å; H268-E345 IonicContact CE1-OE2 3.71Å; H268-E345 PolarHBondContact CE1-OE2 2.98Å; H268-E345 VanDerWaalsContact CE1-OE2 3.29Å; H268-E345 IonicContact ND1-OE2 3.66Å; S343-E345 PolarHBondContact O-N 3.31Å; E345-S348 WeakPolarHBondContact O-CB 3.45Å; E345-S348 PolarHBondContact O-N 3.33Å; E345-S348 PolarHBondContact O-OG 2.79Å; E345-T349 PolarHBondContact O-OG1 2.93Å
346Q88.3Confident72.1Confident1 Ų191.8 Ų91.81%0.00547%0.466CS..Hα-helixtrans-64.1-46179-55176.9-60.100110.1S299 K300 G303 S343 S348 T349S299-Q346 WeakPolarHBondContact O-CG 3.36Å; S299-Q346 PolarHBondContact O-NE2 3.25Å; K300-Q346 WeakPolarHBondContact O-CA 3.39Å; G303-Q346 PolarHBondContact O-NE2 3.08Å; S343-Q346 PolarHBondContact O-N 3.1Å; Q346-S348 VanDerWaalsContact C-N 3.3Å; Q346-S348 PolarHBondContact O-N 2.84Å; Q346-T349 PolarHBondContact O-N 2.68Å
347V80.4Confident69.4Low58 Ų5899.2 Ų99.235%0.35249%0.491SS..Hα-helixtrans-60.1-36.2175.6-177.40000112.4Q341 L344 T349Q341-V347 HydrophobicContact CB-CG2 3.78Å; Q341-V347 HydrophobicContact CG-CG2 4.11Å; L344-V347 PolarHBondContact O-N 3.48Å; V347-T349 VanDerWaalsContact C-N 3.27Å; V347-T349 PolarHBondContact O-N 3.14Å
348S63.9Low66.9Low75 Ų7597.9 Ų97.952%0.52450%0.499SS..Hα-helixtrans-62.4-34.9-178.2790000112.9L344 E345 Q346L344-S348 PolarHBondContact O-N 3Å; E345-S348 WeakPolarHBondContact O-CB 3.45Å; E345-S348 PolarHBondContact O-N 3.33Å; E345-S348 PolarHBondContact O-OG 2.79Å; Q346-S348 VanDerWaalsContact C-N 3.3Å; Q346-S348 PolarHBondContact O-N 2.84Å
349T56Low64.1Low21 Ų2197 Ų9713%0.12951%0.512CS..Hα-helixtrans-69-39.2-175.1-52.80000112.1K300 E345 Q346 V347 K351 S352K300-T349 HydrophobicContact CG-CG2 4.46Å; E345-T349 PolarHBondContact O-OG1 2.93Å; Q346-T349 PolarHBondContact O-N 2.68Å; V347-T349 VanDerWaalsContact C-N 3.27Å; V347-T349 PolarHBondContact O-N 3.14Å; T349-K351 PolarHBondContact O-N 3.24Å; T349-S352 PolarHBondContact O-N 3.21Å; T349-S352 PolarHBondContact O-OG 3.49Å
350A51.8Low61.5Low57 Ų5796.6 Ų96.647%0.47152%0.515SS..Hα-helixtrans-55.1-47.8-178.900000112.9S352 Q353A350-S352 PolarHBondContact O-N 3.4Å; A350-S352 VanDerWaalsContact O-N 3.14Å; A350-Q353 PolarHBondContact O-N 3Å; A350-Q353 VanDerWaalsContact O-N 3.17Å
351K48.6Very low58.6Low164 Ų16498.3 Ų98.371%0.71353%0.533SS*.Hα-helixtrans-65.3-20.3-175.2-62.8-171.2179.5-176.60114.4T349 Q353T349-K351 PolarHBondContact O-N 3.24Å; K351-Q353 VanDerWaalsContact C-N 3.33Å
352S44.7Very low55.7Low71 Ų71101.3 Ų101.350%0.49756%0.557SS.*Hα-helixtrans-71.5-24.8177.272.40000114T349 A350T349-S352 PolarHBondContact O-N 3.21Å; T349-S352 PolarHBondContact O-OG 3.49Å; A350-S352 PolarHBondContact O-N 3.4Å; A350-S352 VanDerWaalsContact O-N 3.14Å
353Q42.8Very low52.9Low114 Ų114102.6 Ų102.653%0.53357%0.571SS.*Hα-helixtrans-88.1-23.5-169.3-160.9164-22.800112.7A350 K351A350-Q353 PolarHBondContact O-N 3Å; A350-Q353 VanDerWaalsContact O-N 3.17Å; K351-Q353 VanDerWaalsContact C-N 3.33Å
354D41.2Very low50.3Low115 Ų115110.9 Ų110.962%0.61561%0.608SS**Hα-helixtrans-83.2-21.5177-67-40.7000113.8W356 R357D354-W356 PolarHBondContact O-N 2.91Å; D354-R357 PolarHBondContact O-N 3.02Å
355S36.3Very low47.7Very low91 Ų91112.1 Ų112.164%0.63661%0.609SS**THydrogen-bonded Turntrans-61.2-8.6-175.4-1700000115.2
356W38.1Very low45.3Very low223 Ų223116.7 Ų116.785%0.84564%0.641SS**THydrogen-bonded Turntrans-110.41.4-175.3-68.4103.3000114.8D354D354-W356 PolarHBondContact O-N 2.91Å
357R39.9Very low42.7Very low218 Ų218127.6 Ų127.682%0.82368%0.682SS**SBendtrans-92.9-8.2179.2-71.9-164.9179.6-88.14.3115.4D354D354-R357 PolarHBondContact O-N 3.02Å
358T43.3Very low40.5Very low125 Ų125135.2 Ų135.277%0.76771%0.71SS**  trans-111.661-176.4-43.80000112.3
359A37.4Very low39Very low92 Ų92138.4 Ų138.476%0.7672%0.721SS**  trans-121.2102.6163.400000108
360L37.4Very low38Very low157 Ų157144.2 Ų144.282%0.82276%0.756SS**  trans-69144.4179.8-8779.2000110.9
361S33.3Very low37Very low113 Ų113149.8 Ų149.879%0.7977%0.769SS**  trans-79.6124.1172.7-177.90000110.9
362T33.1Very low36.8Very low135 Ų135147.5 Ų147.583%0.82877%0.771SS**  trans-141.4118.6159.4-350000109.4
363S34.7Very low36.1Very low101 Ų101154.5 Ų154.571%0.70679%0.793SS**  trans-85.7149.1-176.7-51.60000112.8
364Q34.4Very low35.6Very low201 Ų201155.7 Ų155.794%0.93980%0.803SS**  -164.6159.7127.3-109.3170.310.500112.7
365E33.4Very low35.2Very low172 Ų172157 Ų15780%0.80482%0.815SS**  trans-92.1161.6-171.8-59.2177.883.500113.6
366T31.6Very low35.1Very low146 Ų146161.8 Ų161.890%0.89683%0.825SS**  -166.9140.5115.215.10000112.9
367R34.6Very low34.9Very low230 Ų230160.6 Ų160.687%0.86883%0.831SS**  trans-85.9144.5170.7-76.3169.7159.6166.8-5.8111.5
368K34.6Very low34.4Very low219 Ų219159.3 Ų159.395%0.95283%0.831SS**  trans-141.9158.3137.1-72.7-159.3177.6178.40111.2
369L32.9Very low33.7Very low141 Ų141158.3 Ų158.374%0.73883%0.825SS**  trans-142.7129.4-167.5163.770.1000110.3K371L369-K371 HydrophobicContact CD1-CG 4.32Å
370V33Very low33.4Very low143 Ų143163 Ų16387%0.86783%0.828SS**  trans-144.7144.4159.7-175.90000109
371K30.8Very low33.1Very low175 Ų175163.7 Ų163.776%0.76183%0.832SS**  trans-114.3-161.6176-64.6-177.9175.61770110.3L369L369-K371 HydrophobicContact CD1-CG 4.32Å
372P45.3Very low32.8Very low116 Ų116169.3 Ų169.375%0.75384%0.836SS**  -119.5-179.5-88.839-24.5000112.2
373K30.2Very low32.6Very low218 Ų218168.6 Ų168.695%0.94883%0.831SS**  trans-148.4161.6150-115.3164.3-1721770111.5
374N31.5Very low32.6Very low139 Ų139171.1 Ų171.174%0.74384%0.837SS**  trans-137.7126.7-156.2174.326000111.2
375T33.5Very low32.6Very low143 Ų143166.5 Ų166.588%0.87782%0.824SS**  trans-161.6143.9152.211.40000110.3
376K34.2Very low32.5Very low191 Ų191169.3 Ų169.383%0.8383%0.829SS**  trans-108.2140169.5-61.7173.4-178.1173.80108.9
377M33.5Very low32.9Very low198 Ų198167.9 Ų167.998%0.97582%0.822SS**  trans-153.4170.1142.2-96.3-60.817100107.8
378K30.7Very low33.2Very low191 Ų191162.5 Ų162.583%0.8382%0.817SS**  trans-130.6154.7-149.7-168.6-166.9179.2-177.30112.4
379T28.4Very low33Very low103 Ų103161.7 Ų161.763%0.63282%0.817SS**  trans116.7110.3142-46.80000117.9
380K30Very low32.9Very low192 Ų192163.5 Ų163.584%0.83582%0.821SS**  trans75.2128.8148.5-74.1175.3-177.3-177.20122.5
381L31.1Very low32.6Very low170 Ų170166.5 Ų166.589%0.8982%0.819SS**  trans55.8120.3143.7-111.867.2000120.9
382R27.4Very low32.2Very low232 Ų232163.5 Ų163.588%0.87582%0.82SS**  trans-132.9109.9158.6-173.2177-177.1175.21.5107.1
383T29.8Very low31.4Very low120 Ų120161.9 Ų161.974%0.73681%0.811SS**  68.4120.286.7-370000114
384N33.8Very low31.2Very low154 Ų154161.1 Ų161.182%0.82481%0.808SS**  trans-68.3142.4173.1-149.410.7000110.7
385P35Very low30.8Very low103 Ų103163.6 Ų163.667%0.66982%0.815SS**  trans-105.3103.4-179.835.2-27.2000113.2
386Y30.4Very low30.4Very low232 Ų232164.2 Ų164.291%0.9181%0.81SS**  trans-164.2148138.1-95.6-67.2000109.7
387P39.2Very low30Very low116 Ų116161 Ų16175%0.75380%0.802SS**  trans-86.2169.9-168.8-11.330.3000115.7
388P42.8Very low29.6Very low117 Ų117159.3 Ų159.376%0.7679%0.789SS**  trans-103.8168.2-169.240.3-35.8000115.3
389Q29.6Very low29.4Very low201 Ų201157.1 Ų157.194%0.93979%0.785SS**  trans-132160.5151.7-76.6-169.2-28.800111.2
390Q30.5Very low29.2Very low179 Ų179160.5 Ų160.584%0.83679%0.794SS**  trans-122.9164.5-165.5-84.1175.9-51.900110
391Y25.8Very low28.9Very low207 Ų207157.5 Ų157.581%0.81280%0.796SS**  cis-175.5140.9-25.1-150.3-92.2000106.5
392S24.2Very low28.6Very low112 Ų112152.5 Ų152.578%0.78379%0.785SS**  trans174.1156.9161.9179.80000110.8
393S28.4Very low28.7Very low81 Ų81150.4 Ų150.457%0.56679%0.785SS**  -172.3114.4-79.149.20000110.1
394F25Very low28.4Very low202 Ų202152.8 Ų152.889%0.88679%0.793SS**  trans38.2126.5159.4-64.5-84.6000121.5
395Q23.6Very low28Very low191 Ų191148.9 Ų148.989%0.89379%0.789SS**  -168.716794.7-104.9-169.4-10.200114
396M25.3Very low27.5Very low157 Ų157150.5 Ų150.577%0.77379%0.792SS**  trans-82.6179165.4-71172.352.700109.2
397D25.3Very low27.2Very low124 Ų124150.1 Ų150.166%0.66379%0.789SS**  cis-170.7178.133.6-160.16.7000113.2
398K26.2Very low26.5Very low161 Ų161156 Ų15670%0.780%0.796SS**  trans89.5122.8148-82.2-172.3168.2-173.80124.2
399L25.6Very low25.6Very low145 Ų145154.7 Ų154.776%0.75980%0.796SS**  99.4162127.4-78171.3000121.5
400E23.4Very low25.9Very low175 Ų175150.9 Ų150.982%0.81879%0.791SS**  trans-120.6175.7-147.6-57.5173.293.700114.3
401C24.8Very low26.5Very low129 Ų129148 Ų14887%0.87279%0.788SS**  trans84.9112.3145.9-153.70000119.5
402G25.5Very low27.8Very low64 Ų64144 Ų14466%0.6679%0.788SS**  109.2115.1102.400000120.4
403Q28.1Very low28Very low188 Ų188142.9 Ų142.988%0.87978%0.784SS**  trans73.4123.2141.6-77.8-173.4-27.300123.3
404L24.6Very low28.1Very low170 Ų170144.5 Ų144.589%0.8980%0.796SS**  77.2122.6128.6-15972.9000119.7
405G24.3Very low28.3Very low73 Ų73139.4 Ų139.475%0.75379%0.791SS**  trans-177.719.4-179.700000122.8
406N25.6Very low29.2Very low137 Ų137136.2 Ų136.273%0.73379%0.787SS**  trans26.1135.5153.5-106.5-1.9000124.5
407W23.5Very low29.6Very low224 Ų224135.1 Ų135.185%0.84879%0.789SS**  trans84.6143.7148.6-68.1118.2000124.1
408R25.3Very low30.1Very low239 Ų239134.7 Ų134.790%0.90279%0.793SS**  trans77.1154.6167.6-52.3-171.9-156.9-103.33118.3
409A24.1Very low31Very low90 Ų90133.3 Ų133.374%0.74480%0.8SS**  cis-178.2133.4-37.900000109.1
410S35.8Very low31Very low120 Ų120134.7 Ų134.784%0.83980%0.803SS**  trans-82.3159.8163.5-44.20000110.8
411P41.9Very low31.8Very low120 Ų120131.2 Ų131.278%0.77980%0.795SS**  -155.1-158.9116.538.2-15.6000113.4
412P53.9Low31.8Very low123 Ų123133.2 Ų133.280%0.79979%0.792SS**  -139.7176.2-74.343.9-28.1000115.7
413A27.7Very low31.9Very low87 Ų87137.3 Ų137.372%0.71980%0.798SS**  trans-173104141.200000109.8
414S29.8Very low31.7Very low116 Ų116136.5 Ų136.581%0.81179%0.794SS**  65.7132.389.369.70000115.9
415A31.1Very low31.8Very low94 Ų94132.1 Ų132.178%0.77778%0.777SS**  cis-172.4-169.8-7.700000107.4
416P41.8Very low31.9Very low125 Ų125137.4 Ų137.481%0.81278%0.782SS**  cis-126.5-160.6-12.342.2-23.8000113.5
417V33.2Very low31.9Very low134 Ų134136.4 Ų136.481%0.81279%0.786SS**  trans-142.4147.9-167.2171.80000113.3
418P35.7Very low32Very low115 Ų115130.2 Ų130.275%0.74778%0.777SS**  trans-108.6164.5158.337.9-28.8000113.6
419P44.9Very low32.1Very low131 Ų131126.7 Ų126.785%0.85178%0.776SS**  trans-100.5171-149.938.5-38.7000119.4
420E26.6Very low32.3Very low175 Ų175128.9 Ų128.982%0.81878%0.775SS**  trans-58.2173.6169.7-99.6-165128.600116
421P39.4Very low31.8Very low101 Ų101131.6 Ų131.666%0.65678%0.779SS**  cis-148.9174.935.144-23.3000121.5
422Q25.8Very low30.9Very low171 Ų171136.8 Ų136.880%0.79978%0.784SS**  trans77.682144.4-80.3161.8-0.700122.5
423L25.9Very low29.5Very low151 Ų151136.8 Ų136.879%0.79178%0.783SS**  41.2127.9112-152.683.2000121.7
424H24.2Very low29.5Very low170 Ų170137.6 Ų137.679%0.78778%0.78SS**  -169.9137.1121.5-103.9-67.3000114.4
425S27.7Very low29.3Very low79 Ų79137.1 Ų137.155%0.55278%0.777SS**  trans21.4114.1155.8-72.30000121.2
426E27Very low29Very low183 Ų183142.7 Ų142.786%0.85578%0.78SS**  96.1150.189.7-80.3169.6111.500113
427S25Very low28.2Very low116 Ų116141.3 Ų141.381%0.81177%0.773SS**  cis-130.3165.3-0.661.80000111.8
428S25.2Very low27.8Very low94 Ų94141.3 Ų141.366%0.65777%0.768SS**  trans-101.2144.8176.9171.60000110.8
429D27.2Very low27.4Very low166 Ų166141.2 Ų141.289%0.88877%0.767SS**  trans-149.4150.4143.6-131.2-26.3000112.3
430L27.6Very low26.5Very low136 Ų136141.9 Ų141.971%0.71276%0.757SS**  trans-114.3130.3-162.9-71.1165.5000112.9
431L25.1Very low26.4Very low176 Ų176137.7 Ų137.792%0.92175%0.747SS**  trans-129.5112.7165.2-73.7178.1000111.7
432Y24.6Very low25.9Very low229 Ų229140 Ų14090%0.89874%0.744SS**  trans-90.3116.6176.4-119.9-95.2000110.4
433T24.9Very low25.9Very low124 Ų124140.4 Ų140.476%0.76175%0.745SS**  trans-139.2132.8161.753.10000110.6
434P27.7Very low26.1Very low103 Ų103141.1 Ų141.167%0.66974%0.738SS**  trans-82.6118.7179.831-32.7000111.6Y436P434-Y436 HydrophobicContact CB-CE2 4.32Å; P434-Y436 HydrophobicContact CG-CE2 4.32Å; P434-Y436 PolarHBondContact O-N 3.42Å
435S24Very low26.2Very low107 Ų107136.2 Ų136.275%0.74873%0.734SS**  trans-77.395.3179.639.40000112.6S437S435-S437 PolarHBondContact O-N 3.42Å
436Y25.4Very low26.2Very low211 Ų211141.5 Ų141.583%0.82775%0.749SS**  trans-78.364.3169.7-79.4-85.2000112.4P434P434-Y436 HydrophobicContact CB-CE2 4.32Å; P434-Y436 HydrophobicContact CG-CE2 4.32Å; P434-Y436 PolarHBondContact O-N 3.42Å
437S24.6Very low26.2Very low96 Ų96142 Ų14267%0.67175%0.749SS**  trans-101.987.3171.555.80000110.5S435 P439S435-S437 PolarHBondContact O-N 3.42Å; S437-P439 WeakPolarHBondContact O-CD 3.44Å
438L26.1Very low26.3Very low134 Ų134142 Ų14270%0.70275%0.746SS**  trans-86.3115172.9-73.9172.1000110.4F440L438-F440 HydrophobicContact CB-CD2 4.13Å; L438-F440 HydrophobicContact CB-CE2 3.79Å; L438-F440 HydrophobicContact CD1-CE2 4.12Å; L438-F440 HydrophobicContact CG-CE2 4.46Å; L438-F440 PolarHBondContact O-N 3.11Å
439P27.5Very low26.5Very low112 Ų112144.8 Ų144.873%0.72775%0.753SS**  trans-81.7116.7177.832.1-32.2000110.7S437S437-P439 WeakPolarHBondContact O-CD 3.44Å
440F25.5Very low26.5Very low145 Ų145144.1 Ų144.164%0.63675%0.749SS**  trans-123.572.4174.2-74-64.7000111.8L438 Y442L438-F440 HydrophobicContact CB-CD2 4.13Å; L438-F440 HydrophobicContact CB-CE2 3.79Å; L438-F440 HydrophobicContact CD1-CE2 4.12Å; L438-F440 HydrophobicContact CG-CE2 4.46Å; L438-F440 PolarHBondContact O-N 3.11Å; F440-Y442 HydrophobicContact CB-CD2 4.31Å; F440-Y442 HydrophobicContact CB-CE2 4.13Å; F440-Y442 HydrophobicContact CD1-CE2 4.42Å; F440-Y442 PolarHBondContact O-N 3.49Å
441S24.7Very low26.6Very low87 Ų87142.5 Ų142.561%0.60875%0.749SS**  trans-69.3104.7167.8-590000110.2
442Y27.7Very low26.7Very low151 Ų151142.5 Ų142.559%0.59274%0.744SS**  trans-96.1106170.3-84-86.8000110.2F440F440-Y442 HydrophobicContact CB-CD2 4.31Å; F440-Y442 HydrophobicContact CB-CE2 4.13Å; F440-Y442 HydrophobicContact CD1-CE2 4.42Å; F440-Y442 PolarHBondContact O-N 3.49Å
443H26.4Very low27.2Very low178 Ų178137.1 Ų137.182%0.82474%0.735SS**PPolyproline II helixtrans-73.5129.5165.5-65.7-90.6000109.5
444Y29.8Very low27.4Very low166 Ų166140.9 Ų140.965%0.65174%0.741SS**PPolyproline II helixtrans-79.7123161.4-98.9-91.5000108.9F275F275-Y444 VanDerWaalsContact CD1-OH 3.3Å; F275-Y444 WeakPolarHBondContact CD1-OH 3.32Å; F275-Y444 WeakPolarHBondContact CD2-OH 3.29Å; F275-Y444 VanDerWaalsContact CE1-OH 3.25Å; F275-Y444 WeakPolarHBondContact CE1-OH 3.42Å; F275-Y444 WeakPolarHBondContact CE2-OH 3.42Å; F275-Y444 WeakPolarHBondContact CG-OH 3.49Å; F275-Y444 VanDerWaalsContact CZ-OH 3.29Å; F275-Y444 WeakPolarHBondContact CZ-OH 3.45Å
445G26.7Very low27.3Very low68 Ų68140.6 Ų140.670%0.70174%0.742SS**PPolyproline II helixtrans-74.8147.6171.700000111.5
446H28.4Very low27.5Very low189 Ų189141.3 Ų141.388%0.87575%0.747SS**PPolyproline II helixtrans-61142.8165.1-86.2-112000110.5
447F25.2Very low27.7Very low194 Ų194140.2 Ų140.285%0.85175%0.746SS**PPolyproline II helixtrans-66.7136.5153.5-90.6-96.4000108.7L449F447-L449 PolarHBondContact O-N 3.26Å
448P28.1Very low28.2Very low115 Ų115145.1 Ų145.175%0.74776%0.756SS**  trans-69.6115.2174.128.5-32.5000109.5
449L29.6Very low28.6Very low153 Ų153144.5 Ų144.580%0.80176%0.76SS**  trans-99.4103.7163.4-168.877.1000107.4F447 S451F447-L449 PolarHBondContact O-N 3.26Å; L449-S451 PolarHBondContact O-N 2.67Å; L449-S451 VanDerWaalsContact O-N 3.11Å; L449-S451 PolarHBondContact O-OG 2.64Å; L449-S451 VanDerWaalsContact O-OG 3.07Å
450D28Very low28.6Very low152 Ų152147.6 Ų147.681%0.81377%0.766SS**  trans-57.4117.5-179.2-83.8-47.3000111
451S27.9Very low28.8Very low102 Ų102148.5 Ų148.571%0.71378%0.777SS**  trans-136.860.2-176.8380000110.5L449L449-S451 PolarHBondContact O-N 2.67Å; L449-S451 VanDerWaalsContact O-N 3.11Å; L449-S451 PolarHBondContact O-OG 2.64Å; L449-S451 VanDerWaalsContact O-OG 3.07Å
452H28.8Very low29.3Very low176 Ų176150 Ų15082%0.81578%0.784SS**  trans-59.5148.1155.4-86.2-93000109.8
453V33.4Very low29.4Very low117 Ų117147.2 Ų147.271%0.70979%0.793SS**  trans68.5100.5-176.4-158.20000111.6
454F29.5Very low29.5Very low202 Ų202148.8 Ų148.889%0.88680%0.798SS**  -139.8150.454.2-91.9-88.2000114.3
455S26.1Very low29.4Very low98 Ų98151.5 Ų151.569%0.68581%0.813SS**  trans-102.3133.2169.8-171.20000111.4
456S28.8Very low29.4Very low122 Ų122151.6 Ų151.685%0.85381%0.814SS**  trans-153.8157.9161.8-85.80000110.3
457K29.9Very low29.4Very low187 Ų187151.9 Ų151.981%0.81382%0.816SS**  trans-125.4161.2-157.9-60.3178.7-179.6177.60113.2
458K33.2Very low29.6Very low200 Ų200147.8 Ų147.887%0.8781%0.809SS**  trans85.6155.7164.9-57.8-179177.4-178.70116.4
459P34.8Very low29.6Very low120 Ų120150.9 Ų150.978%0.77981%0.813SS**  cis-132.4164.8-31.633.5-16.8000114.1
460M27.5Very low29.5Very low177 Ų177146.9 Ų146.987%0.87281%0.809SS**  trans-84.1146.8166.9-71.7177.665.100112.3
461L31.1Very low29.6Very low165 Ų165145.1 Ų145.186%0.86481%0.808SS**  trans-140.9161.7152.9-82.4-174.4000109.7
462P33.8Very low29.7Very low117 Ų117145 Ų14576%0.7681%0.805SS**  trans-97.6164.2-142.736.6-38.3000116.8
463A29.9Very low30.2Very low94 Ų94141 Ų14178%0.77780%0.796SS**  trans-75.2161177.800000114.3
464K28.2Very low30.2Very low211 Ų211142.2 Ų142.292%0.91779%0.794SS**  trans-130.7143159.3-75.8-172.2174.7-1780110
465F28Very low30.3Very low223 Ų223136.7 Ų136.798%0.97878%0.777SS**  trans-88.2151.4178-104.4-110.5000111.6
466G26.8Very low30.5Very low70 Ų70134.4 Ų134.472%0.72276%0.764SS**  trans168.193.7165.200000117.8
467Q28.5Very low30.9Very low194 Ų194133.8 Ų133.891%0.90774%0.743SS**  trans69.2159.2157.3-74.8-89.2-61.500118.2
468P30.1Very low31Very low108 Ų108133 Ų13370%0.70174%0.74SS**  trans-100.7149.6-149.337.2-35.3000116.1
469Q27.1Very low31.1Very low180 Ų180131.5 Ų131.584%0.84173%0.733SS**  trans-116.5129165.7-82.3-84.1-15.900109
470G28.8Very low31.1Very low69 Ų69128.3 Ų128.371%0.71171%0.709SS**PPolyproline II helixtrans-77.2120.4167.700000109.5P472G470-P472 VanDerWaalsContact O-CD 3.24Å; G470-P472 WeakPolarHBondContact O-CD 3.47Å
471S28.4Very low31.3Very low115 Ų115123.2 Ų123.280%0.80469%0.691SS**PPolyproline II helixtrans-74.3117.6-165.855.80000114.3
472P32Very low31.1Very low100 Ų100121.2 Ų121.265%0.64969%0.686SS**PPolyproline II helixtrans-80.3127.1168.5-8.528000110.4G470 E474 R477G470-P472 VanDerWaalsContact O-CD 3.24Å; G470-P472 WeakPolarHBondContact O-CD 3.47Å; P472-E474 PolarHBondContact O-N 3.47Å; P472-R477 PolarHBondContact O-NH2 3.08Å
473C38.8Very low30.9Very low91 Ų91122.1 Ų122.162%0.61568%0.684SS**  trans-40.6123.1-171.5-168.50000115.3V475C473-V475 VanDerWaalsContact C-N 3.34Å
474E32.5Very low31Very low143 Ų143123.5 Ų123.567%0.66869%0.685SS**SBendtrans-75.6-20175.5-95.1164.9177.900114.1P472 A476 R477P472-E474 PolarHBondContact O-N 3.47Å; E474-A476 VanDerWaalsContact C-N 3.28Å; E474-A476 PolarHBondContact O-N 3.06Å; E474-R477 VanDerWaalsContact CG-CZ 3.47Å; E474-R477 WeakPolarHBondContact O-CB 3.4Å; E474-R477 WeakPolarHBondContact O-CG 2.74Å; E474-R477 PolarHBondContact O-N 3.47Å; E474-R477 IonicContact OE1-NH1 2.65Å
475V31.8Very low31Very low86 Ų86118 Ų11852%0.52168%0.679SS.*G310 helixtrans-68.8-23.9-168.9-172.30000113.2C473 R477C473-V475 VanDerWaalsContact C-N 3.34Å; V475-R477 PolarHBondContact O-N 3.12Å
476A31.1Very low31.2Very low50 Ų50113.4 Ų113.441%0.41367%0.674SS.*G310 helixtrans-66.6-18.1177.700000113.8E474 F478E474-A476 VanDerWaalsContact C-N 3.28Å; E474-A476 PolarHBondContact O-N 3.06Å; A476-F478 PolarHBondContact O-N 2.9Å
477R36.2Very low31.2Very low110 Ų110112.8 Ų112.842%0.41567%0.668SS.*G310 helixtrans-80-13.5-163.9-59.5179.2-164.6154.317.1115.4P472 E474 V475P472-R477 PolarHBondContact O-NH2 3.08Å; E474-R477 VanDerWaalsContact CG-CZ 3.47Å; E474-R477 WeakPolarHBondContact O-CB 3.4Å; E474-R477 WeakPolarHBondContact O-CG 2.74Å; E474-R477 PolarHBondContact O-N 3.47Å; E474-R477 IonicContact OE1-NH1 2.65Å; V475-R477 PolarHBondContact O-N 3.12Å
478F32.8Very low31.1Very low171 Ų171112.7 Ų112.775%0.7567%0.667SS**G310 helixtrans-108.6-10.9-164.2-113.1-82.8000117A476A476-F478 PolarHBondContact O-N 2.9Å
479F34.3Very low30.8Very low167 Ų167112.5 Ų112.573%0.73267%0.668SS**SBendtrans-107.8-2.2-169-73.2-74.3000115.9
480L34.8Very low30.7Very low53 Ų53111.5 Ų111.528%0.27766%0.663SS.*SBendtrans-96.115.2179.2-70.7175.3000113.8A138A138-L480 HydrophobicContact CB-CD1 4.32Å; A138-L480 WeakPolarHBondContact O-CD1 3.29Å
481S32.4Very low30.5Very low70 Ų70119.2 Ų119.249%0.4967%0.671SS.*  trans-150.566.9-16658.60000114.4
482T27.4Very low30.3Very low124 Ų124121.4 Ų121.476%0.76167%0.668SS**  trans-141.598.6164.458.70000112.4
483L28.3Very low30Very low135 Ų135127.7 Ų127.771%0.70768%0.68SS**  trans-121.7125.6156.2-92.5169000107.2A485L483-A485 PolarHBondContact O-N 3.5Å
484P33.3Very low29.3Very low123 Ų123127.6 Ų127.680%0.79969%0.686SS**  trans-72.7120.1166.2-8.425.1000108.7
485A28Very low29Very low96 Ų96128.7 Ų128.779%0.79370%0.696SS**  trans-65.4152.916800000110.5L483 G487L483-A485 PolarHBondContact O-N 3.5Å; A485-G487 PolarHBondContact O-N 3.49Å
486S31.6Very low29Very low126 Ų126129.3 Ų129.388%0.88170%0.702SS**  trans-66.2100.1-178.5177.60000112.2
487G26.6Very low28.9Very low57 Ų57134.4 Ų134.459%0.58872%0.722SS**  trans-106.4127164.300000110.9A485 C489A485-G487 PolarHBondContact O-N 3.49Å; G487-C489 PolarHBondContact O-N 2.9Å
488E27.2Very low28.4Very low192 Ų192135.6 Ų135.690%0.89774%0.741SS**  trans-73.492.6177.8-68-166.6128.700111.4Q490E488-Q490 PolarHBondContact O-N 3.32Å
489C24.3Very low28.4Very low105 Ų105132.3 Ų132.371%0.70974%0.737SS**  trans-75.984.5171.6-68.10000110.9G487 W491G487-C489 PolarHBondContact O-N 2.9Å; C489-W491 VanDerWaalsContact O-CD1 3.31Å; C489-W491 PolarHBondContact O-N 2.92Å; C489-W491 VanDerWaalsContact O-N 3.14Å
490Q23.5Very low28Very low158 Ų158129.5 Ų129.574%0.73874%0.738SS**  trans-70.9102.4176-170.8171.239.400111.2E488 H492E488-Q490 PolarHBondContact O-N 3.32Å; Q490-H492 PolarHBondContact O-N 3.26Å; Q490-H492 VanDerWaalsContact O-N 3.14Å
491W25.6Very low27.6Very low231 Ų231133.2 Ų133.288%0.87577%0.768SS**  trans-72.9102.1177.8-70.293.2000111.7C489 Y493C489-W491 VanDerWaalsContact O-CD1 3.31Å; C489-W491 PolarHBondContact O-N 2.92Å; C489-W491 VanDerWaalsContact O-N 3.14Å; W491-Y493 PolarHBondContact O-N 2.94Å
492H23.6Very low27.3Very low162 Ų162135 Ų13575%0.7578%0.781SS**PPolyproline II helixtrans-73.2119.8167.2-77-82000110.8Q490Q490-H492 PolarHBondContact O-N 3.26Å; Q490-H492 VanDerWaalsContact O-N 3.14Å
493Y25.5Very low27.2Very low232 Ų232134.4 Ų134.491%0.9178%0.782SS**PPolyproline II helixtrans-67.1133.8168.8-96.9-100.4000110.7W491W491-Y493 PolarHBondContact O-N 2.94Å
494A23.7Very low27.1Very low89 Ų89134.2 Ų134.274%0.73679%0.786SS**PPolyproline II helixtrans-102.3129.2168.100000110.3
495N26.9Very low26.9Very low165 Ų165132.6 Ų132.688%0.88278%0.784SS**  trans-157.4162.7158.9-109-20.2000109.2
496P32.9Very low26.9Very low99 Ų99137.6 Ų137.664%0.64379%0.787SS**  trans-103.6167.4-137.938.7-39.3000116.4
497L27.1Very low26.8Very low158 Ų158139.9 Ų139.983%0.82778%0.784SS**  trans29.8133.7143.1-53.7167.6000117.7
498V27.2Very low27.7Very low135 Ų135142.3 Ų142.382%0.81879%0.789SS**  cis-146.1-153.643.8-1430000111.6
499P33.1Very low28.7Very low102 Ų102138.8 Ų138.866%0.66278%0.783SS**  trans-124.8174.5-13144.5-26.6000118.8
500S25.2Very low29Very low108 Ų108142.2 Ų142.276%0.75579%0.788SS**  trans68.7122.3148.567.30000121.3
501S25.5Very low29.9Very low130 Ų130140.4 Ų140.491%0.90979%0.79SS**  178.3173.7116.744.30000110.4
502S26.6Very low31.3Very low109 Ų109135.1 Ų135.176%0.76279%0.786SS**  trans-128.4149.3-167.555.40000113.6
503S26.2Very low31.7Very low110 Ų110132.1 Ų132.177%0.76979%0.789SS**  160.8159.7118.959.80000115.6
504T26.2Very low32Very low131 Ų131127.6 Ų127.680%0.80478%0.78SS**  trans-7.6147.5153.550.10000119.9
505A28.5Very low32.5Very low90 Ų90129.1 Ų129.174%0.74478%0.781SS**  cis-154.3-139.83.200000110.4
506K27.7Very low32.8Very low200 Ų200125.3 Ų125.387%0.8777%0.772SS**  cis-164.9170.210.3-143.9175.2-178.9175.60112.6
507H30.6Very low32.9Very low175 Ų175131.2 Ų131.281%0.8178%0.782SS**  trans-130.9-177169.1-105.7-72.9000108
508P44.1Very low33.1Very low108 Ų108132.3 Ų132.370%0.70178%0.782SS**  cis-129.7-137.90.443.9-23.5000110.4
509P47.8Very low33.2Very low117 Ų117129.1 Ų129.176%0.7678%0.776SS**  cis-131.5-179.9-28.538.9-20.7000116.2
510E32.3Very low33Very low178 Ų178132.9 Ų132.983%0.83279%0.79SS**  trans-70.6-179.6158.4-81.5-169.7138.200112.8
511P42.8Very low33.2Very low119 Ų119133.8 Ų133.877%0.77379%0.79SS**  cis-154.5-141.745.842.7-13.5000117.6
512P54.9Low34.1Very low121 Ų121133.1 Ų133.179%0.78678%0.783SS**  -138.4-155.9-108.346.4-24.7000117
513A31.1Very low34.2Very low98 Ų98132.9 Ų132.981%0.8178%0.781SS**  trans104.5157.5157.300000119.7
514N32Very low34.3Very low137 Ų137137.5 Ų137.573%0.73378%0.783SS**  cis-172.2151-38.2-162.912.9000112.4
515T33Very low34.3Very low122 Ų122138.7 Ų138.775%0.74878%0.78SS**  trans60.5157159.442.90000121.3
516A33.4Very low34.5Very low84 Ų84138.5 Ų138.569%0.69478%0.778SS**  cis-171.1152.5-16.600000116.7
517R35.2Very low35.2Very low224 Ų224135.4 Ų135.485%0.84578%0.778SS**  trans72.6154.6140.9-81.1-174172.8-168.4-1.3126.5
518H32.8Very low35.2Very low181 Ų181131.7 Ų131.784%0.83878%0.778SS**  trans75.9141.8170.3-60.5-84.1000118.7
519G28Very low34.6Very low68 Ų68131.5 Ų131.570%0.70179%0.786SS**  cis164158-13.800000115.7
520L28.6Very low33.7Very low181 Ų181130.9 Ų130.995%0.94879%0.79SS**  trans99.2153.9168-65.6166.7000121.5
521V30.1Very low33.7Very low126 Ų126129 Ų12976%0.76479%0.791SS**  trans-155.1142.5-164166.50000110.3
522P43.9Very low33Very low117 Ų117135.2 Ų135.276%0.7680%0.799SS**  -136.1137.6118.59.813.2000113.2
523S28.6Very low31.8Very low103 Ų103140.3 Ų140.372%0.7280%0.802SS**  76.4116.782.2-53.20000114.1
524Y27.7Very low31.7Very low207 Ų207145.7 Ų145.781%0.81281%0.808SS**  6614184.4-132-128.7000112.3
525E27.5Very low31.6Very low157 Ų157142.3 Ų142.373%0.73481%0.805SS**  cis-159.9-178.330.1-173.3160.9-163.800111
526A32.4Very low31.4Very low85 Ų85145.1 Ų145.170%0.70281%0.81SS**  trans-131.6145.2172.200000112.5
527P43.1Very low31.2Very low135 Ų135148 Ų14888%0.87781%0.814SS**  trans-122.9171.5164.838.1-26.5000113.6
528A29.7Very low30.9Very low97 Ų97144.4 Ų144.480%0.80282%0.817SS**  trans-131165.1-170.700000114.5
529A31.1Very low31Very low105 Ų105140.3 Ų140.387%0.86881%0.814SS**  trans63.8124.1155.600000120.8
530A28.5Very low32.2Very low103 Ų103142.7 Ų142.785%0.85182%0.817SS**  trans-152.7148.9150.800000110.7
531V32.9Very low33Very low139 Ų139139.8 Ų139.884%0.84281%0.809SS**  trans-130.9133.9-179.7172.20000110.2
532R28.6Very low33.1Very low249 Ų249139 Ų13994%0.9481%0.81SS**  trans-144.5162.2161.3-72.9-160.1173.4-167.8-1.8112.3
533R30Very low32.5Very low228 Ų228142.9 Ų142.986%0.8682%0.815SS**  trans-120.8-172-179.7-79-178.1169.7176.1-3.5110.4
534F29.5Very low33.3Very low212 Ų212143.4 Ų143.493%0.9382%0.816SS**  trans83141.3-174.8-61.4-84.1000114.3
535G28.2Very low33.6Very low65 Ų65138.6 Ų138.667%0.6781%0.812SS**  cis174.1142.8-900000114
536E29.2Very low33.7Very low181 Ų181137 Ų13785%0.84682%0.817SS**  trans53133.7158.2-74.1160.2112.500124.3
537D30.4Very low33.4Very low145 Ų145136 Ų13678%0.77582%0.815SS**  trans24.6129.2146.3-64.63.9000123.6
538T28.6Very low32.9Very low149 Ų149137.9 Ų137.991%0.91481%0.812SS**  -172155.5108.617.60000114.3
539A33.7Very low32.8Very low94 Ų94144.8 Ų144.878%0.77782%0.819SS**  trans-165.3172.4169.100000108.9
540P54.3Low32.8Very low118 Ų118150.5 Ų150.577%0.76682%0.818SS**  cis-118.7-168.9-20.140.5-25.5000111.2
541P46.1Very low32.8Very low120 Ų120154.6 Ų154.678%0.77982%0.819SS**  -151.1179.7107.238.4-21.6000113.3
542S30.5Very low32.7Very low111 Ų111155.7 Ų155.778%0.77682%0.815SS**  cis-169.6159.6-33.157.70000109
543F32.8Very low33.6Very low198 Ų198149.4 Ų149.487%0.86881%0.806SS**  trans-79.2168.1178.1-78.4-90.2000114.5
544P45.1Very low33.7Very low114 Ų114142.2 Ų142.274%0.7480%0.796SS**  -123.8154.696.437.9-32.7000112.4
545S33.9Very low33.8Very low105 Ų105140.9 Ų140.973%0.73480%0.798SS**  cis72.2136.244.7-156.90000112.7
546C28.7Very low33.9Very low123 Ų123141.2 Ų141.283%0.83180%0.801SS**  cis-144.117815-146.70000109.2
547G27.4Very low35.3Very low64 Ų64138.7 Ų138.766%0.6680%0.8SS**  cis-173.8-167.19.600000114.6
548H31.1Very low36.2Very low176 Ų176137 Ų13782%0.81580%0.797SS**  trans-81.4160.5-171.3-69.8-89.7000115.5
549Y28.7Very low36.3Very low241 Ų241139.6 Ų139.695%0.94580%0.796SS**  -148.6168111.4-108.7-77.3000110.9
550R29.9Very low36.1Very low226 Ų226140.2 Ų140.285%0.85380%0.801SS**  trans-151.6127.9-167.9167.3-158.3177.2-166.3-0.5109.7
551E28.8Very low35Very low189 Ų189139.2 Ų139.288%0.88380%0.802SS**  trans-163.1154.2147.8-120.8166.8-179.500114.1
552E31.2Very low34.3Very low161 Ų161145.1 Ų145.175%0.75281%0.809SS**  trans-161132.3174.8-122.2-79.9172.100104.1A554E552-A554 PolarHBondContact OE2-N 3.45Å
553P47.2Very low34.2Very low117 Ų117148.6 Ų148.676%0.7681%0.813SS**  -152125.3113.134.1-14.5000117.2
554A32Very low34.1Very low77 Ų77143.7 Ų143.764%0.63681%0.809SS**  77.4172.9120.100000122.8E552E552-A554 PolarHBondContact OE2-N 3.45Å
555L32.8Very low33.4Very low185 Ų185142.6 Ų142.697%0.96981%0.81SS**  trans76.8154.7175.5-67.1163.6000117.3
556G29.9Very low33.3Very low71 Ų71148.3 Ų148.373%0.73282%0.815SS**  trans-134.7-142.2-151.700000117.2
557P57.7Low33.3Very low128 Ų128149.3 Ų149.383%0.83181%0.812SS**  trans-100.3166.8-134.342.9-41.8000113.9
558P49.3Very low33.4Very low110 Ų110149.7 Ų149.771%0.71482%0.816SS**  -157.2158.187.241.1-21.5000119.4
559K31.4Very low33.4Very low204 Ų204148.4 Ų148.489%0.88782%0.82SS**  trans64.1140.2136.5-75.3174.3178.9176.30123.8
560A30.5Very low33.4Very low107 Ų107148.2 Ų148.288%0.88482%0.818SS**  trans92143.813900000119.7
561A30.8Very low33.4Very low96 Ų96145.7 Ų145.779%0.79382%0.82SS**  trans-107.1159.2-170.700000112.6
562R30Very low33.4Very low244 Ų244140.5 Ų140.592%0.92181%0.809SS**  trans-162.5160.3132.6-115.9172.6178.1-179.1-1.3114.4
563Q29.2Very low33.3Very low185 Ų185140.7 Ų140.786%0.86482%0.815SS**  trans-74.2160.9174.9-75.4154.2-74.100113.1
564A31.1Very low32.3Very low94 Ų94139.5 Ų139.578%0.77782%0.815SS**  128106.412700000117.8
565A30Very low32.1Very low92 Ų92147.7 Ų147.776%0.7683%0.829SS**  75.9147.612700000122.5
566R31.8Very low31.8Very low225 Ų225143.6 Ų143.685%0.84982%0.822SS**  trans67.4148.5165.9-67-172176.1165.7-0.1116.3
567D29.2Very low31.9Very low144 Ų144146.3 Ų146.377%0.7782%0.824SS**  cis-146.3165.2-18.2-90.4-34.1000104.8
568G29Very low31Very low72 Ų72145.7 Ų145.774%0.74282%0.821SS**  cis124.769.523.500000110
569V30.3Very low30Very low148 Ų148149.4 Ų149.490%0.89783%0.828SS**  trans-129.2138.9176.8179.90000110.7
570R30.1Very low29.8Very low237 Ų237145.9 Ų145.989%0.89483%0.828SS**  trans-94.8151.7178.2-68.2171.1166.3173.3-5.8111.7
571L29.8Very low29.7Very low174 Ų174147.3 Ų147.391%0.91183%0.83SS**  trans-148.4161135.4-115.7143.9000109.8
572A28.4Very low29.8Very low79 Ų79147.1 Ų147.165%0.65383%0.829SS**  trans-139.6-165.8-167.900000111.1
573L28.1Very low30.1Very low166 Ų166141.2 Ų141.287%0.86982%0.822SS**  trans80.4143.7-166.5-68.386000113.8
574A27Very low30.5Very low91 Ų91138.6 Ų138.675%0.75282%0.821SS**  cis-157.2166.6-18.900000110.2
575R28.7Very low30.7Very low250 Ų250138.6 Ų138.694%0.94382%0.821SS**  trans-77.6147.4172.8-88.1178.2163.6169-7.2111.8
576A26.7Very low31.4Very low99 Ų99140.1 Ų140.182%0.81882%0.823SS**  trans-143.3152.4154.200000110
577T31.5Very low31.4Very low127 Ų127138.1 Ų138.178%0.77982%0.823SS**  trans-142.5141.217847.10000109.6
578P38.1Very low31.9Very low116 Ų116136.2 Ų136.275%0.75382%0.819SS**  trans-114.6128.2142.2120.5000108.9
579E29Very low32.5Very low187 Ų187139.3 Ų139.387%0.87483%0.826SS**  89.2145.165.8-78.6-168.1141.300113.7
580C27.1Very low32.5Very low130 Ų130135.8 Ų135.888%0.87882%0.819SS**  trans-110.8155.8-169.3-59.40000111.7
581C27.3Very low32.6Very low137 Ų137129 Ų12993%0.92681%0.814SS**  trans-120.9155.3167.1-69.10000111.9
582A32.6Very low32.9Very low93 Ų93126.5 Ų126.577%0.76981%0.808SS**PPolyproline II helixtrans-89.8161.3-170.500000113.4
583P37.2Very low33.1Very low120 Ų120128.5 Ų128.578%0.77981%0.814SS**PPolyproline II helixtrans-83.5155.2-179.134.1-36.1000113.6
584P37Very low33.3Very low130 Ų130129.8 Ų129.884%0.84482%0.816SS**PPolyproline II helixtrans-81.6161.7172.434.3-35.2000113.3
585A35.8Very low33.4Very low94 Ų94133.1 Ų133.178%0.77782%0.82SS**PPolyproline II helixtrans-96.1167.117800000112.3
586P44Very low33.4Very low123 Ų123126.5 Ų126.580%0.79981%0.809SS**PPolyproline II helixtrans-92.3159.2-169.136.5-35.5000115
587E33.6Very low33.3Very low184 Ų184131.8 Ų131.886%0.8682%0.815SS**  trans-129.8165.1175.5-92.1-75.3116.300110.4
588P38.1Very low33Very low104 Ų104131.4 Ų131.468%0.67581%0.812SS**  trans-87.2168.6-155.134-36.3000116.4
589P42.3Very low32.3Very low137 Ų137133.6 Ų133.689%0.8982%0.816SS**  trans-87.3145.1-167.833.8-36.2000115.1
590G30.8Very low32.1Very low73 Ų73131.7 Ų131.775%0.75381%0.811SS**  trans-160.4123.8170.800000114.6
591A32.4Very low32.2Very low96 Ų96132.9 Ų132.979%0.79381%0.809SS**  trans51.9138.7163.800000120.6
592P35Very low32.1Very low121 Ų121135.8 Ų135.879%0.78680%0.802SS**PPolyproline II helixtrans-84.7134.3-179.733.1-33.7000113.3
593P32.3Very low31.9Very low121 Ų121140.5 Ų140.579%0.78681%0.808SS**PPolyproline II helixtrans-74.7147164.731.6-33.4000111.2
594Q33.6Very low31.6Very low193 Ų193144 Ų14490%0.90281%0.805SS**PPolyproline II helixtrans-75.4134.6176.6-65.6175.3-9.200110.9
595L29.2Very low31.2Very low160 Ų160144.4 Ų144.484%0.83881%0.805SS**PPolyproline II helixtrans-88.6136.2174-75.3167.9000110.9
596P28.2Very low30.8Very low111 Ų111146.7 Ų146.772%0.72180%0.803SS**PPolyproline II helixtrans-70.2141.6171.330-33.7000110.8V598P596-V598 PolarHBondContact O-N 2.98Å
597F25Very low30Very low211 Ų211147.4 Ų147.493%0.92581%0.805SS**PPolyproline II helixtrans-69129.6175.7-91.9-110000111.2
598V23.6Very low29.7Very low119 Ų119150.1 Ų150.172%0.72181%0.808SS**  trans-123.2123.3165.1178.50000108P596 L600P596-V598 PolarHBondContact O-N 2.98Å; V598-L600 PolarHBondContact O-N 2.9Å; V598-L600 VanDerWaalsContact O-N 3.16Å
599L24.8Very low29.4Very low161 Ų161157.2 Ų157.284%0.84382%0.821SS**  trans-77.397.1178.8-91.1159.3000110.6
600L25.1Very low28.7Very low147 Ų147153.8 Ų153.877%0.7781%0.811SS**  trans-85.9120.7164.7-72.7170.8000109.6V598V598-L600 PolarHBondContact O-N 2.9Å; V598-L600 VanDerWaalsContact O-N 3.16Å
601N27.6Very low28.8Very low156 Ų156156.7 Ų156.783%0.83482%0.817SS**  trans-64.5143.2177.6-82.9-33.9000111.8H603N601-H603 PolarHBondContact O-N 3.16Å
602Y26.1Very low28.6Very low197 Ų197160.9 Ų160.977%0.77383%0.825SS**  trans-79.2104.5-166-87.9-115.7000113.4R604Y602-R604 HydrophobicContact CD1-CB 4.37Å
603H28.6Very low28.2Very low193 Ų193159.3 Ų159.389%0.89483%0.83SS**  trans-98.5111.3142-91.2-84.4000108.9N601N601-H603 PolarHBondContact O-N 3.16Å
604R30Very low27.9Very low194 Ų194157.2 Ų157.273%0.73283%0.83SS**  trans-143.298.4173.7-128.8179.6-174.9177.43.2113.1Y602Y602-R604 HydrophobicContact CD1-CB 4.37Å
605V29.3Very low27.6Very low137 Ų137152.7 Ų152.783%0.8383%0.826SS**  trans-62.3135.5154.2176.70000107.8
606L27.8Very low27.5Very low143 Ų143149.5 Ų149.575%0.74982%0.823SS**  trans-90.5109.9-172.8-73.6171.8000112.6
607T27.2Very low28.3Very low137 Ų137150.6 Ų150.684%0.8483%0.83SS**  trans-119.476.8162.942.40000110.7R609T607-R609 PolarHBondContact O-N 3.22Å
608R27.6Very low28.5Very low242 Ų242145.2 Ų145.291%0.91383%0.825SS**  trans-73.9111.3168.7-83.9-169.5173-151.41110.3
609R30.5Very low28.7Very low252 Ų252143.9 Ų143.995%0.95183%0.826SS**PPolyproline II helixtrans-99.2116.5146.8-85.9-172170-171.9-2.6108.3T607T607-R609 PolarHBondContact O-N 3.22Å
610G27.7Very low28.9Very low65 Ų65142.1 Ų142.167%0.6783%0.827SS**PPolyproline II helixtrans-95.1155165.500000110.5
611P32.5Very low29Very low135 Ų135138.2 Ų138.288%0.87782%0.823SS**PPolyproline II helixtrans-76.8152.3178.832.7-35000111.9
612L29.9Very low29.1Very low184 Ų184139.5 Ų139.596%0.96383%0.829SS**  trans-112.9131.7164.9-79.8168.5000108.9
613G26.3Very low29.2Very low87 Ų87133.9 Ų133.990%0.89782%0.823SS**  trans-153.3127.6174.400000110.4
614G26.3Very low29.1Very low77 Ų77130.8 Ų130.879%0.79482%0.821SS**  trans-170.7140.7179.900000110.4
615A25.8Very low29.1Very low98 Ų98126 Ų12681%0.8182%0.823SS**  trans-57.3141.4-17700000112.7
616A28.7Very low29.7Very low94 Ų94125.8 Ų125.878%0.77783%0.825SS**  76.1150.952.900000112.4
617P44.6Very low29.7Very low133 Ų133122.8 Ų122.886%0.86483%0.828SS**  cis-135.6-17426.743.8-25.6000118.1
618A28.4Very low29.6Very low99 Ų99119.9 Ų119.982%0.81883%0.825SS**  trans-62.9163.6-171.100000119.4
619A27.7Very low30.6Very low90 Ų90113.9 Ų113.974%0.74482%0.818SS**  -164.7145.9117.800000112.9
620S29.3Very low30.6Very low124 Ų124110.7 Ų110.787%0.86781%0.814SS**  trans26.8138.5154.6570000122.1
621G27.4Very low30.8Very low66 Ų66111.7 Ų111.768%0.6882%0.816SS**  cis158.8-177.92.700000112.1
622L29.4Very low30.8Very low183 Ų183109.7 Ų109.796%0.95881%0.811SS**  trans67153.6177.8-59159.9000116.7
623A28.4Very low30.8Very low79 Ų79106.9 Ų106.965%0.65380%0.801SS**  174.7155.8-55.700000109.3
624C27.4Very low30.9Very low127 Ų127108.1 Ų108.186%0.85880%0.796SS**  trans63113.5160.9-59.70000120.5
625A28.3Very low31.3Very low93 Ų93108.6 Ų108.677%0.76979%0.793SS**  trans-78166.6131.900000108.7
626P41.8Very low31.5Very low134 Ų134112.5 Ų112.587%0.8780%0.799SS**  -151.9-174.46941.1-21000115.6
627G27.8Very low31.6Very low79 Ų79117 Ų11781%0.81480%0.796SS**  trans133.4126.6152.400000117.9
628G25.5Very low31.8Very low76 Ų76116.2 Ų116.278%0.78479%0.791SS**  trans-117.8-158.3148.500000108.6
629P49.1Very low31.9Very low117 Ų117121.9 Ų121.976%0.7679%0.791SS**  cis-135.2-154.37.232.3-7.1000113.5
630E29.6Very low32.3Very low184 Ų184124.6 Ų124.686%0.8679%0.788SS**  trans70171.7164.2-60.1-171.4141.700119.3
631A32.3Very low33.2Very low86 Ų86124.3 Ų124.371%0.71178%0.783SS**  -165.3153.6-58.700000111.8
632A32Very low33.4Very low94 Ų94125.7 Ų125.778%0.77778%0.782SS**  trans65164.6167.900000117
633T30.4Very low34.6Very low124 Ų124122.6 Ų122.676%0.76177%0.773SS**  cis-154151.53.5-25.40000112.8
634S29.9Very low34.8Very low113 Ų113123.6 Ų123.679%0.7978%0.782SS**  trans67.8159.2151.477.50000120.5
635A33.2Very low35Very low87 Ų87122.2 Ų122.272%0.71978%0.779SS**  cis-171.2149.9-33.100000110.9
636L30.3Very low35.1Very low180 Ų180122.2 Ų122.294%0.94278%0.779SS**  trans169.9161.9130.8-91.4164.1000112.3
637R31.6Very low34.6Very low188 Ų188121.5 Ų121.571%0.70978%0.777SS**  trans-156.1162.6-169.2-153.3-177.6-178-161.4-2.1110.2H640R637-H640 PolarHBondContact NH2-CD2 3.47Å
638P48.7Very low35.4Very low117 Ų117123.5 Ų123.576%0.7678%0.776SS**  -149.6153.7104.835.8-18000117.8
639R29.8Very low35.8Very low219 Ų219124.9 Ų124.983%0.82678%0.78SS**  trans20.6124150.4-60.2174.1176.8172.7-2.4120.1
640H36.2Very low34.8Very low146 Ų146122.9 Ų122.968%0.67678%0.781SS**  76.5146.263.5-82.1-49.4000115R637R637-H640 PolarHBondContact NH2-CD2 3.47Å
641P48.9Very low35.1Very low119 Ų119120.7 Ų120.777%0.77378%0.78SS**  cis-131.9-166.835.343.6-27.6000117.8
642S30.1Very low35.4Very low94 Ų94122.4 Ų122.466%0.65778%0.784SS**  trans-144.4-163.8176.9-38.20000106.9
643P55.1Low35.7Very low119 Ų119124.8 Ų124.877%0.77378%0.783SS**  cis-143.3-17821.544.8-25.1000117.7
644A33.5Very low36Very low100 Ų100124.8 Ų124.883%0.82679%0.785SS**  trans59.9136.7151.400000119.6
645A30.7Very low36.1Very low98 Ų98127.9 Ų127.981%0.8179%0.787SS**  cis-157.4-168.7-600000107.4
646A30.8Very low35.8Very low93 Ų93134.8 Ų134.877%0.76980%0.796SS**  cis-153.9-156.78.300000111
647S30.9Very low35.8Very low118 Ų118134.4 Ų134.483%0.82579%0.794SS**  trans-139.7170.6-179.4-66.90000109.5
648P46.1Very low35.7Very low121 Ų121129.2 Ų129.279%0.78680%0.799SS**  cis-138.5176.313.343.2-25.1000118
649A32.3Very low34.7Very low105 Ų105128.1 Ų128.187%0.86880%0.8SS**  trans11.7133.8153.800000122.7
650G28.9Very low34.5Very low76 Ų76123.4 Ų123.478%0.78480%0.801SS**  trans-170.3133.4158.400000112.7
651T36.4Very low34Very low138 Ų138122.3 Ų122.385%0.84780%0.804SS**  trans-96142.2177.842.70000112.8
652P38.9Very low33Very low122 Ų122123.8 Ų123.879%0.79280%0.803SS**  trans-106.3142.3164.435.7-28.1000113.2
653L37Very low33.1Very low144 Ų144126 Ų12675%0.75481%0.807SS**PPolyproline II helixtrans-79.6150.7166.1-81.267.9000110.4
654P37.6Very low32.1Very low124 Ų124126.2 Ų126.281%0.80581%0.806SS**PPolyproline II helixtrans-75.9129163.131.5-31.8000110.7
655H30.9Very low32.1Very low177 Ų177129.4 Ų129.482%0.81981%0.809SS**PPolyproline II helixtrans-79.7143.6173.8-79.4-100.1000111.9
656Y28.3Very low32.4Very low233 Ų233128.3 Ų128.391%0.91481%0.808SS**PPolyproline II helixtrans-69130.9165.5-93.9-104.7000110.8
657L30.1Very low32.7Very low171 Ų171139.4 Ų139.490%0.89583%0.83SS**  trans-125.5113.8162.4-81.1169.6000108.6
658G27.8Very low32.8Very low79 Ų79140.5 Ų140.581%0.81483%0.83SS**  trans-81.8124.6177.900000111.5
659A28.5Very low32.1Very low95 Ų95141.5 Ų141.579%0.78583%0.832SS**  trans-99.5106.1175.600000110.9V661A659-V661 PolarHBondContact O-N 3.48Å
660S26Very low32.1Very low120 Ų120143.6 Ų143.684%0.83983%0.83SS**  trans-78.7114.8173.1-62.60000110.7
661V26.5Very low32.3Very low123 Ų123147.5 Ų147.575%0.74583%0.833SS**PPolyproline II helixtrans-91117.1175.4179.70000110A659 I663A659-V661 PolarHBondContact O-N 3.48Å; V661-I663 HydrophobicContact CG1-CG1 4.32Å
662I27.6Very low32Very low149 Ų149148.1 Ų148.176%0.76483%0.832SS**PPolyproline II helixtrans-87.3122.8169.6-60.6173.5000107.9
663I32Very low31.6Very low142 Ų142149.9 Ų149.973%0.72884%0.835SS**PPolyproline II helixtrans-98.1120172.8-59177.6000108.3V661V661-I663 HydrophobicContact CG1-CG1 4.32Å
664T33Very low31.2Very low123 Ų123150.3 Ų150.376%0.75584%0.84SS**PPolyproline II helixtrans-92.9128.4173.842.40000110.5G666T664-G666 PolarHBondContact O-N 2.92Å
665N33.8Very low30.7Very low166 Ų166152.3 Ų152.389%0.88884%0.843SS**PPolyproline II helixtrans-73.2126.4175.7-77-15000110.7
666G38.2Very low30.7Very low76 Ų76150.3 Ų150.378%0.78485%0.845SS**  trans-116.378.7-178.900000113.3T664T664-G666 PolarHBondContact O-N 2.92Å
667R36.5Very low30.9Very low326 Ų326142.7 Ų142.7100%1.2384%0.839SS**  trans54.10170.8-66.4-175175.9179.9-1.4116.4

Retrieved 667 of 667 residues in 134.8 ms (Link to these results)

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