A0A096NJ71_PAPAN Loading...

Carbonyl reductase (NADPH)

AlphaFold DB , UniProt , Accession A0A096NJ71, Species PAPAN (Papio anubis, Olive baboon), Gene CBR3, Length 277 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
1M40.9Very low81.1Confident241 Ų24162.4 Ų62.4100%1.18736%0.361SS*.  0116.10-68.1172.5-17700106.4S3M1-S3 PolarHBondContact O-N 2.86Å
2S42.5Very low82.5Confident118 Ų11859.2 Ų59.283%0.82535%0.351SS*.  trans-60113.1176.1-176.70000107.7C4S2-C4 PolarHBondContact O-N 3.02Å
3S56.1Low83.7Confident107 Ų10754.6 Ų54.675%0.74832%0.324SS*.  trans-63.7106.8173.255.50000107.3M1 S5M1-S3 PolarHBondContact O-N 2.86Å; S3-S5 PolarHBondContact O-N 3.4Å
4C69.6Low84.7Confident73 Ų7352.9 Ų52.949%0.49331%0.313SS..PPolyproline II helixtrans-52.2126.8171.7-870000108.8S2S2-C4 PolarHBondContact O-N 3.02Å
5S90.9Very high85.4Confident49 Ų4957.2 Ų57.234%0.34332%0.321SS..PPolyproline II helixtrans-49.6145.7178.6-172.10000110.3S3 D32 Y81S3-S5 PolarHBondContact O-N 3.4Å; S5-D32 PolarHBondContact OG-OD1 2.83Å; S5-Y81 WeakPolarHBondContact O-CD1 3.37Å
6R97.4Very high86.1Confident97 Ų9755.2 Ų55.237%0.36632%0.317SS..PPolyproline II helixtrans-68.6150.4169.9-68.1179.268.4-159.21.9108.5F29 G31 D32 N85R6-F29 HydrophobicContact CB-CE1 4Å; R6-F29 HydrophobicContact CB-CZ 3.74Å; R6-G31 CarbonylContact O-C 3.51Å; R6-G31 WeakPolarHBondContact O-CA 3.26Å; R6-D32 PolarHBondContact O-N 3.21Å; R6-N85 VanDerWaalsContact CA-OD1 3.25Å; R6-N85 WeakPolarHBondContact CA-OD1 3.47Å
7V98.8Very high86.7Confident0 Ų053.2 Ų53.20%031%0.305CS..EExtended strand (participates in β ladder)trans-135132.2-179.562.50000112.5D32 V34 L77 Y81 G83 L84 N85 V86V7-D32 CarbonylContact C-O 3.56Å; V7-D32 WeakPolarHBondContact CA-O 3.35Å; V7-D32 HydrophobicContact CG2-CB 4.31Å; V7-V34 HydrophobicContact CG2-CG2 3.59Å; V7-L77 HydrophobicContact CG1-CD2 4.29Å; V7-L77 HydrophobicContact CG2-CD2 4.29Å; V7-Y81 HydrophobicContact CB-CD1 3.74Å; V7-Y81 HydrophobicContact CB-CD2 4.12Å; V7-Y81 HydrophobicContact CB-CE1 3.91Å; V7-Y81 HydrophobicContact CB-CE2 4.28Å; V7-Y81 HydrophobicContact CB-CG 3.85Å; V7-Y81 HydrophobicContact CG1-CD1 3.93Å; V7-Y81 HydrophobicContact CG1-CD2 3.9Å; V7-Y81 HydrophobicContact CG1-CG 3.57Å; V7-Y81 HydrophobicContact CG2-CD1 4.41Å; V7-Y81 HydrophobicContact CG2-CD2 4.13Å; V7-Y81 HydrophobicContact CG2-CE1 4.21Å; V7-Y81 HydrophobicContact CG2-CE2 3.93Å; V7-Y81 HydrophobicContact CG2-CG 4.37Å; V7-G83 WeakPolarHBondContact CG1-O 3.43Å; V7-L84 HydrophobicContact CG1-CD1 3.94Å; V7-N85 PolarHBondContact N-OD1 3.1Å; V7-N85 WeakPolarHBondContact O-CB 3.43Å; V7-N85 PolarHBondContact O-N 3.01Å; V7-V86 PolarHBondContact O-N 3.39Å; V7-V86 VanDerWaalsContact O-N 3.17Å
8A98.9Very high87.4Confident0 Ų050.3 Ų50.30%029%0.289CS..EExtended strand (participates in β ladder)trans-109.2141.8169.900000110.2L25 F29 D32 V33 V34 V86A8-L25 HydrophobicContact CB-CD1 4.23Å; A8-F29 HydrophobicContact CB-CD1 3.84Å; A8-F29 HydrophobicContact CB-CD2 4.36Å; A8-F29 HydrophobicContact CB-CE1 3.8Å; A8-F29 HydrophobicContact CB-CE2 4.32Å; A8-F29 HydrophobicContact CB-CG 4.11Å; A8-F29 HydrophobicContact CB-CZ 4.03Å; A8-D32 PolarHBondContact N-O 2.91Å; A8-V33 HydrophobicContact CB-CG2 4.44Å; A8-V33 CarbonylContact O-C 3.41Å; A8-V33 WeakPolarHBondContact O-CA 3.41Å; A8-V34 PolarHBondContact O-N 2.79Å; A8-V86 CarbonylContact C-O 3.56Å; A8-V86 WeakPolarHBondContact CA-O 3.45Å; A8-V86 HydrophobicContact CB-CB 3.7Å; A8-V86 HydrophobicContact CB-CG1 4.18Å; A8-V86 HydrophobicContact CB-CG2 4.36Å
9L98.9Very high88Confident0 Ų048.3 Ų48.30%028%0.277CS..EExtended strand (participates in β ladder)trans-129135.8-179.3-175.4139.1000111.2T11 V34 T36 L73 L77 L84 V86 L87 V88L9-T11 HydrophobicContact CD2-CG2 3.98Å; L9-V34 HydrophobicContact CD1-CB 4.2Å; L9-V34 HydrophobicContact CD1-CG1 4.07Å; L9-V34 HydrophobicContact CG-CB 4.43Å; L9-T36 HydrophobicContact CD1-CG2 3.83Å; L9-T36 HydrophobicContact CD2-CG2 4.29Å; L9-T36 HydrophobicContact CG-CG2 3.96Å; L9-L73 HydrophobicContact CD1-CD1 3.58Å; L9-L73 HydrophobicContact CD1-CD2 3.6Å; L9-L73 HydrophobicContact CD1-CG 4.01Å; L9-L73 HydrophobicContact CD2-CD2 4.28Å; L9-L77 HydrophobicContact CD1-CD1 4.14Å; L9-L77 HydrophobicContact CD1-CD2 4.39Å; L9-L84 HydrophobicContact CB-CD1 3.94Å; L9-V86 PolarHBondContact N-O 3.26Å; L9-L87 HydrophobicContact CD2-CD1 3.72Å; L9-V88 PolarHBondContact O-N 3.35Å
10V98.9Very high88.5Confident0 Ų046 Ų460%026%0.264CS..EExtended strand (participates in β ladder)trans-122.9124.4176.4-167.70000109.9A13 I21 A22 L25 V34 T36 V88 N90V10-A13 HydrophobicContact CB-CB 3.83Å; V10-A13 HydrophobicContact CG1-CB 3.8Å; V10-I21 HydrophobicContact CG1-CB 4.36Å; V10-I21 HydrophobicContact CG1-CG2 4.24Å; V10-I21 HydrophobicContact CG2-CG2 3.97Å; V10-A22 HydrophobicContact CG2-CB 4.33Å; V10-L25 HydrophobicContact CG2-CD1 3.68Å; V10-V34 PolarHBondContact N-O 2.97Å; V10-V34 VanDerWaalsContact N-O 3.15Å; V10-T36 PolarHBondContact O-N 3.39Å; V10-T36 PolarHBondContact O-OG1 3.01Å; V10-V88 HydrophobicContact CB-CB 4.48Å; V10-V88 HydrophobicContact CG1-CB 4.17Å; V10-V88 HydrophobicContact CG1-CG1 4.24Å; V10-V88 HydrophobicContact CG2-CB 4.3Å; V10-V88 HydrophobicContact CG2-CG2 4.45Å; V10-N90 HydrophobicContact CG1-CB 4.36Å
11T98.8Very high89Confident1 Ų143.8 Ų43.81%0.00625%0.252CS..THydrogen-bonded Turntrans-82.6141.1176.270.10000111.4L9 A13 T36 L62 I64 V88 N89 N90 A91 M121L9-T11 HydrophobicContact CD2-CG2 3.98Å; T11-A13 VanDerWaalsContact C-N 3.34Å; T11-A13 PolarHBondContact O-N 2.93Å; T11-T36 VanDerWaalsContact CA-OG1 3.3Å; T11-T36 WeakPolarHBondContact CA-OG1 3.28Å; T11-L62 HydrophobicContact CG2-CD2 3.72Å; T11-I64 HydrophobicContact CG2-CG2 4.43Å; T11-V88 PolarHBondContact N-O 3.46Å; T11-V88 PolarHBondContact OG1-O 2.93Å; T11-N89 WeakPolarHBondContact OG1-CA 3.42Å; T11-N90 WeakPolarHBondContact O-CB 3.47Å; T11-N90 PolarHBondContact O-ND2 2.97Å; T11-N90 PolarHBondContact OG1-N 2.95Å; T11-A91 PolarHBondContact O-N 3.38Å; T11-A91 PolarHBondContact OG1-N 3.24Å; T11-M121 HydrophobicContact CG2-CE 3.79Å
12G98Very high91.8Very high24 Ų2432.3 Ų32.325%0.24720%0.195CC..THydrogen-bonded Turntrans63.740.417600000112.6T36 N90G12-T36 PolarHBondContact N-O 2.92Å; G12-N90 PolarHBondContact O-ND2 3.31Å
13A97.9Very high94.4Very high0 Ų027.7 Ų27.70%016%0.159CC..  trans-98.714.4-167.100000113.9V10 T11 R15 L19 A22 L35 T36V10-A13 HydrophobicContact CB-CB 3.83Å; V10-A13 HydrophobicContact CG1-CB 3.8Å; T11-A13 VanDerWaalsContact C-N 3.34Å; T11-A13 PolarHBondContact O-N 2.93Å; A13-R15 VanDerWaalsContact C-N 3.33Å; A13-L19 WeakPolarHBondContact O-CA 3.43Å; A13-L19 WeakPolarHBondContact O-CB 3.44Å; A13-L19 WeakPolarHBondContact O-CD1 3.48Å; A13-A22 HydrophobicContact CB-CB 4.36Å; A13-L35 HydrophobicContact CB-CD2 4.31Å; A13-L35 HydrophobicContact CB-CG 3.75Å; A13-L35 WeakPolarHBondContact O-CD1 3.37Å; A13-T36 PolarHBondContact N-O 3.04Å
14N97.6Very high96.5Very high30 Ų3024.4 Ų24.416%0.1613%0.132CC..SBendtrans-82-7.5177.771.1-81.7000114.3A37 R42 A46N14-A37 HydrophobicContact CB-CB 3.76Å; N14-R42 HydrophobicContact CB-CB 4.31Å; N14-A46 HydrophobicContact CB-CB 4.14Å
15R96.1Very high97.9Very high118 Ų11821 Ų2145%0.44511%0.109SC..SBendtrans-163173.7179.164.1177.2179.31780.5111.7A13 L19 D234A13-R15 VanDerWaalsContact C-N 3.33Å; R15-L19 PolarHBondContact O-N 3.4Å; R15-D234 IonicContact CZ-OD2 2.71Å; R15-D234 IonicContact NE-OD2 3.87Å; R15-D234 IonicContact NH1-OD2 3.35Å; R15-D234 PolarHBondContact NH1-OD2 3.44Å
16G96.1Very high98.2Very high25 Ų2520.1 Ų20.126%0.25810%0.103SC..Hα-helixtrans58.2-145.3170.900000113.1G18 L19 A20G16-G18 VanDerWaalsContact C-N 3.29Å; G16-G18 PolarHBondContact O-N 3.28Å; G16-L19 PolarHBondContact O-N 3.34Å; G16-A20 PolarHBondContact O-N 3.39Å
17I97.2Very high98.3Very high21 Ų2122.2 Ų22.211%0.10811%0.111CC..Hα-helixtrans-57.4-41.2-179.5-63.8157.6000111.5L19 A20 I21 P228 V231 T233I17-L19 VanDerWaalsContact C-N 3.32Å; I17-L19 PolarHBondContact O-N 3.22Å; I17-A20 PolarHBondContact O-N 2.67Å; I17-A20 VanDerWaalsContact O-N 3.16Å; I17-I21 HydrophobicContact CG2-CD1 3.56Å; I17-I21 HydrophobicContact CG2-CG1 4.07Å; I17-I21 VanDerWaalsContact O-CG1 3.29Å; I17-I21 WeakPolarHBondContact O-CG1 3.36Å; I17-I21 PolarHBondContact O-N 2.96Å; I17-P228 HydrophobicContact CD1-CB 3.94Å; I17-P228 HydrophobicContact CD1-CG 3.73Å; I17-V231 HydrophobicContact CD1-CB 3.95Å; I17-V231 HydrophobicContact CD1-CG1 4.21Å; I17-V231 HydrophobicContact CD1-CG2 3.94Å; I17-V231 HydrophobicContact CG1-CB 4.13Å; I17-V231 HydrophobicContact CG1-CG1 3.81Å; I17-V231 HydrophobicContact CG1-CG2 4.2Å; I17-T233 HydrophobicContact CD1-CG2 4.36Å; I17-T233 HydrophobicContact CG1-CG2 4.14Å
18G98.3Very high98.3Very high1 Ų127.1 Ų27.11%0.0113%0.134CC..Hα-helixtrans-60.5-39.1-179.800000113.6G16 A22 N90G16-G18 VanDerWaalsContact C-N 3.29Å; G16-G18 PolarHBondContact O-N 3.28Å; G18-A22 PolarHBondContact O-N 3.22Å; G18-N90 VanDerWaalsContact CA-ND2 3.3Å; G18-N90 WeakPolarHBondContact CA-ND2 3.49Å; G18-N90 PolarHBondContact N-OD1 2.91Å
19L98.6Very high98.2Very high13 Ų1327.8 Ų27.87%0.06814%0.137CC..Hα-helixtrans-67.9-41.6175.5-179.260.3000111.6A13 R15 G16 I17 A22 R23 L35 A46 L50A13-L19 WeakPolarHBondContact O-CA 3.43Å; A13-L19 WeakPolarHBondContact O-CB 3.44Å; A13-L19 WeakPolarHBondContact O-CD1 3.48Å; R15-L19 PolarHBondContact O-N 3.4Å; G16-L19 PolarHBondContact O-N 3.34Å; I17-L19 VanDerWaalsContact C-N 3.32Å; I17-L19 PolarHBondContact O-N 3.22Å; L19-A22 PolarHBondContact O-N 2.99Å; L19-R23 WeakPolarHBondContact O-CB 3.46Å; L19-R23 PolarHBondContact O-N 2.92Å; L19-L35 HydrophobicContact CD1-CD1 4.02Å; L19-A46 HydrophobicContact CD1-CB 4.07Å; L19-L50 HydrophobicContact CD1-CD1 3.8Å; L19-L50 HydrophobicContact CD1-CD2 4.11Å; L19-L50 HydrophobicContact CD1-CG 3.94Å
20A98.6Very high98.1Very high2 Ų232.4 Ų32.42%0.01717%0.169CC..Hα-helixtrans-64.6-39.4176.300000112G16 I17 R23 E24 V244 A248G16-A20 PolarHBondContact O-N 3.39Å; I17-A20 PolarHBondContact O-N 2.67Å; I17-A20 VanDerWaalsContact O-N 3.16Å; A20-R23 WeakPolarHBondContact O-CB 3.36Å; A20-R23 PolarHBondContact O-N 2.7Å; A20-E24 PolarHBondContact O-N 3.33Å; A20-V244 HydrophobicContact CB-CB 4.08Å; A20-V244 HydrophobicContact CB-CG2 4.12Å; A20-V244 VanDerWaalsContact CB-O 3.29Å; A20-V244 WeakPolarHBondContact CB-O 3.39Å; A20-A248 HydrophobicContact CB-CB 3.81Å
21I98.9Very high98.1Very high0 Ų033.9 Ų33.90%018%0.184CC..Hα-helixtrans-62.9-46.1173.1-64.9164.6000110.7V10 I17 R23 E24 L25 V88 I138 A248 P251 V252V10-I21 HydrophobicContact CG1-CB 4.36Å; V10-I21 HydrophobicContact CG1-CG2 4.24Å; V10-I21 HydrophobicContact CG2-CG2 3.97Å; I17-I21 HydrophobicContact CG2-CD1 3.56Å; I17-I21 HydrophobicContact CG2-CG1 4.07Å; I17-I21 VanDerWaalsContact O-CG1 3.29Å; I17-I21 WeakPolarHBondContact O-CG1 3.36Å; I17-I21 PolarHBondContact O-N 2.96Å; I21-R23 VanDerWaalsContact C-N 3.32Å; I21-R23 PolarHBondContact O-N 3.19Å; I21-E24 PolarHBondContact O-N 3.02Å; I21-L25 HydrophobicContact CG2-CD1 3.8Å; I21-L25 HydrophobicContact CG2-CG 4.18Å; I21-L25 WeakPolarHBondContact O-CB 3.41Å; I21-L25 VanDerWaalsContact O-CG 3.3Å; I21-L25 WeakPolarHBondContact O-CG 3.37Å; I21-L25 PolarHBondContact O-N 2.87Å; I21-V88 HydrophobicContact CD1-CG1 4.07Å; I21-V88 HydrophobicContact CG2-CG1 4.27Å; I21-V88 HydrophobicContact CG2-CG2 4.31Å; I21-I138 HydrophobicContact CD1-CD1 4.45Å; I21-A248 HydrophobicContact CG1-CB 3.7Å; I21-P251 HydrophobicContact CD1-CB 3.5Å; I21-P251 VanDerWaalsContact CD1-CB 3.5Å; I21-P251 HydrophobicContact CD1-CG 3.88Å; I21-P251 HydrophobicContact CG1-CB 3.91Å; I21-P251 HydrophobicContact CG1-CG 4.43Å; I21-V252 HydrophobicContact CB-CG2 4.47Å; I21-V252 HydrophobicContact CG1-CG2 4.43Å; I21-V252 HydrophobicContact CG2-CG2 4.12Å
22A98.8Very high98Very high0 Ų036.2 Ų36.20%020%0.196CC..Hα-helixtrans-60.2-42.1177.200000111.8V10 A13 G18 L19 L25 C26 L35 L50V10-A22 HydrophobicContact CG2-CB 4.33Å; A13-A22 HydrophobicContact CB-CB 4.36Å; G18-A22 PolarHBondContact O-N 3.22Å; L19-A22 PolarHBondContact O-N 2.99Å; A22-L25 PolarHBondContact O-N 2.96Å; A22-C26 PolarHBondContact O-N 3.21Å; A22-C26 PolarHBondContact O-SG 3.07Å; A22-L35 HydrophobicContact CB-CD1 4.35Å; A22-L50 HydrophobicContact CB-CD1 4.37Å
23R98.8Very high98.1Very high20 Ų2035.2 Ų35.28%0.07519%0.186CC..Hα-helixtrans-57.1-51.6174.7179.9-174.3-69115.24.4111.9L19 A20 I21 C26 R27 L50 E53 L55 E245L19-R23 WeakPolarHBondContact O-CB 3.46Å; L19-R23 PolarHBondContact O-N 2.92Å; A20-R23 WeakPolarHBondContact O-CB 3.36Å; A20-R23 PolarHBondContact O-N 2.7Å; I21-R23 VanDerWaalsContact C-N 3.32Å; I21-R23 PolarHBondContact O-N 3.19Å; R23-C26 WeakPolarHBondContact O-CB 3.22Å; R23-C26 PolarHBondContact O-N 3.04Å; R23-R27 PolarHBondContact O-N 3.46Å; R23-L50 HydrophobicContact CB-CD2 3.79Å; R23-L50 HydrophobicContact CG-CD2 4.06Å; R23-E53 VanDerWaalsContact CD-OE2 3.29Å; R23-E53 WeakPolarHBondContact CD-OE2 3.18Å; R23-E53 IonicContact CZ-OE1 3.73Å; R23-E53 IonicContact CZ-OE2 3.68Å; R23-E53 IonicContact NE-OE1 3.32Å; R23-E53 PolarHBondContact NE-OE1 2.83Å; R23-E53 VanDerWaalsContact NE-OE1 3.17Å; R23-E53 IonicContact NE-OE2 2.72Å; R23-E53 PolarHBondContact NE-OE2 3.49Å; R23-E53 IonicContact NH2-OE1 2.77Å; R23-E53 PolarHBondContact NH2-OE1 2.81Å; R23-E53 IonicContact NH2-OE2 3.11Å; R23-L55 HydrophobicContact CB-CD1 4.38Å; R23-L55 HydrophobicContact CG-CD1 3.7Å; R23-E245 IonicContact NH1-OE1 3.43Å; R23-E245 PolarHBondContact NH1-OE1 3.05Å
24E98.8Very high98.1Very high39 Ų3935.2 Ų35.218%0.18219%0.186CC..Hα-helixtrans-68.5-37.3-178.2-73.5-51.3124.700112.5A20 I21 C26 R27 Q28 V252A20-E24 PolarHBondContact O-N 3.33Å; I21-E24 PolarHBondContact O-N 3.02Å; E24-C26 VanDerWaalsContact C-N 3.32Å; E24-C26 PolarHBondContact O-N 3.09Å; E24-R27 PolarHBondContact O-N 3.08Å; E24-R27 VanDerWaalsContact O-N 3.11Å; E24-R27 IonicContact OE1-CZ 2.68Å; E24-R27 IonicContact OE1-NH1 2.88Å; E24-R27 PolarHBondContact OE1-NH1 3.4Å; E24-Q28 WeakPolarHBondContact O-CB 3.33Å; E24-Q28 WeakPolarHBondContact O-CG 3.19Å; E24-Q28 PolarHBondContact O-N 3.45Å; E24-Q28 PolarHBondContact OE2-NE2 2.91Å; E24-V252 HydrophobicContact CB-CG1 4.24Å; E24-V252 HydrophobicContact CB-CG2 3.71Å
25L98.8Very high98.2Very high0 Ų033.8 Ų33.80%018%0.178CC..Hα-helixtrans-63-39.2171.4-69176000111.4A8 V10 I21 A22 R27 Q28 F29 V33 V88 A255 L256A8-L25 HydrophobicContact CB-CD1 4.23Å; V10-L25 HydrophobicContact CG2-CD1 3.68Å; I21-L25 HydrophobicContact CG2-CD1 3.8Å; I21-L25 HydrophobicContact CG2-CG 4.18Å; I21-L25 WeakPolarHBondContact O-CB 3.41Å; I21-L25 VanDerWaalsContact O-CG 3.3Å; I21-L25 WeakPolarHBondContact O-CG 3.37Å; I21-L25 PolarHBondContact O-N 2.87Å; A22-L25 PolarHBondContact O-N 2.96Å; L25-R27 PolarHBondContact O-N 3.31Å; L25-Q28 PolarHBondContact O-N 3.18Å; L25-F29 HydrophobicContact CB-CB 4.37Å; L25-F29 HydrophobicContact CD2-CB 4.35Å; L25-F29 WeakPolarHBondContact O-CA 3.43Å; L25-F29 WeakPolarHBondContact O-CB 3.39Å; L25-F29 PolarHBondContact O-N 2.58Å; L25-V33 HydrophobicContact CB-CG1 4.17Å; L25-V33 HydrophobicContact CB-CG2 3.86Å; L25-V88 HydrophobicContact CD1-CG2 4.38Å; L25-A255 HydrophobicContact CD2-CB 4.1Å; L25-L256 HydrophobicContact CD2-CD1 4.37Å; L25-L256 HydrophobicContact CD2-CD2 3.84Å; L25-L256 HydrophobicContact CD2-CG 4.06Å
26C98.8Very high98.3Very high32 Ų3228.2 Ų28.222%0.21616%0.157CC..Hα-helixtrans-61.2-27.7174.8-76.10000112.9A22 R23 E24 L55A22-C26 PolarHBondContact O-N 3.21Å; A22-C26 PolarHBondContact O-SG 3.07Å; R23-C26 WeakPolarHBondContact O-CB 3.22Å; R23-C26 PolarHBondContact O-N 3.04Å; E24-C26 VanDerWaalsContact C-N 3.32Å; E24-C26 PolarHBondContact O-N 3.09Å; C26-L55 HydrophobicContact CB-CB 4Å; C26-L55 HydrophobicContact CB-CD1 4.02Å; C26-L55 HydrophobicContact CB-CD2 3.96Å; C26-L55 HydrophobicContact CB-CG 4.21Å
27R98.6Very high98.4Very high141 Ų14127 Ų2753%0.53215%0.145SC..Hα-helixtrans-83.2-35.6178.2-68.8172.7176.4169.1-3.6112.9R23 E24 L25 E53 L55R23-R27 PolarHBondContact O-N 3.46Å; E24-R27 PolarHBondContact O-N 3.08Å; E24-R27 VanDerWaalsContact O-N 3.11Å; E24-R27 IonicContact OE1-CZ 2.68Å; E24-R27 IonicContact OE1-NH1 2.88Å; E24-R27 PolarHBondContact OE1-NH1 3.4Å; L25-R27 PolarHBondContact O-N 3.31Å; R27-E53 IonicContact NH2-OE2 2.73Å; R27-L55 HydrophobicContact CG-CD1 4.49Å; R27-L55 HydrophobicContact CG-CD2 3.79Å
28Q98.4Very high98.5Very high103 Ų10333 Ų3348%0.48117%0.166SC..Hα-helixtrans-114.5-28.6-164.5-58.8-177.349.400114E24 L25 L256E24-Q28 WeakPolarHBondContact O-CB 3.33Å; E24-Q28 WeakPolarHBondContact O-CG 3.19Å; E24-Q28 PolarHBondContact O-N 3.45Å; E24-Q28 PolarHBondContact OE2-NE2 2.91Å; L25-Q28 PolarHBondContact O-N 3.18Å; Q28-L256 HydrophobicContact CB-CD1 3.59Å
29F98.3Very high98.5Very high14 Ų1436 Ų366%0.06118%0.182CC..  trans-78.4126.2-177.3-177-107000111R6 A8 L25 G31 V33 N85 V86 L256R6-F29 HydrophobicContact CB-CE1 4Å; R6-F29 HydrophobicContact CB-CZ 3.74Å; A8-F29 HydrophobicContact CB-CD1 3.84Å; A8-F29 HydrophobicContact CB-CD2 4.36Å; A8-F29 HydrophobicContact CB-CE1 3.8Å; A8-F29 HydrophobicContact CB-CE2 4.32Å; A8-F29 HydrophobicContact CB-CG 4.11Å; A8-F29 HydrophobicContact CB-CZ 4.03Å; L25-F29 HydrophobicContact CB-CB 4.37Å; L25-F29 HydrophobicContact CD2-CB 4.35Å; L25-F29 WeakPolarHBondContact O-CA 3.43Å; L25-F29 WeakPolarHBondContact O-CB 3.39Å; L25-F29 PolarHBondContact O-N 2.58Å; F29-G31 VanDerWaalsContact C-N 3.31Å; F29-G31 PolarHBondContact O-N 3.5Å; F29-V33 HydrophobicContact CB-CG2 4.48Å; F29-V33 HydrophobicContact CD1-CG2 4.34Å; F29-N85 HydrophobicContact CZ-CB 4.12Å; F29-V86 HydrophobicContact CD2-CG2 4.25Å; F29-V86 HydrophobicContact CE2-CG2 3.62Å; F29-V86 HydrophobicContact CZ-CG2 4.26Å; F29-L256 HydrophobicContact CB-CD2 4.15Å; F29-L256 HydrophobicContact CD2-CD2 3.82Å; F29-L256 HydrophobicContact CG-CD2 4.49Å
30S96.8Very high98.5Very high96 Ų9638.4 Ų38.467%0.67120%0.197SC*.SBendtrans-78.679.4174.1-45.10000111.1
31G97.3Very high98.5Very high32 Ų3241.5 Ų41.533%0.3322%0.222SC..SBendtrans161.4-166.1177.500000112.7R6 F29R6-G31 CarbonylContact O-C 3.51Å; R6-G31 WeakPolarHBondContact O-CA 3.26Å; F29-G31 VanDerWaalsContact C-N 3.31Å; F29-G31 PolarHBondContact O-N 3.5Å
32D98.4Very high98.4Very high49 Ų4947.8 Ų47.826%0.26225%0.246SC..EExtended strand (participates in β ladder)trans-77144.4178.2-66.823.6000110.6S5 R6 V7 A8 Y81S5-D32 PolarHBondContact OG-OD1 2.83Å; R6-D32 PolarHBondContact O-N 3.21Å; V7-D32 CarbonylContact C-O 3.56Å; V7-D32 WeakPolarHBondContact CA-O 3.35Å; V7-D32 HydrophobicContact CG2-CB 4.31Å; A8-D32 PolarHBondContact N-O 2.91Å; D32-Y81 HydrophobicContact CB-CE1 3.98Å; D32-Y81 VanDerWaalsContact OD2-CE1 3.25Å; D32-Y81 WeakPolarHBondContact OD2-CE1 3.33Å; D32-Y81 PolarHBondContact OD2-OH 3.03Å
33V98.8Very high98.4Very high4 Ų447.8 Ų47.82%0.02425%0.246CC..EExtended strand (participates in β ladder)trans-116.2122.1170.7-179.50000108.8A8 L25 F29 P57 R58A8-V33 HydrophobicContact CB-CG2 4.44Å; A8-V33 CarbonylContact O-C 3.41Å; A8-V33 WeakPolarHBondContact O-CA 3.41Å; L25-V33 HydrophobicContact CB-CG1 4.17Å; L25-V33 HydrophobicContact CB-CG2 3.86Å; F29-V33 HydrophobicContact CB-CG2 4.48Å; F29-V33 HydrophobicContact CD1-CG2 4.34Å; V33-P57 CarbonylContact O-C 3.55Å; V33-P57 WeakPolarHBondContact O-CA 3.25Å; V33-R58 PolarHBondContact O-N 3.19Å
34V98.8Very high98.4Very high0 Ų051.7 Ų51.70%027%0.265CS..EExtended strand (participates in β ladder)trans-99.8106.2176.7-176.80000108.6V7 A8 L9 V10 T36 R58 H60 F76V7-V34 HydrophobicContact CG2-CG2 3.59Å; A8-V34 PolarHBondContact O-N 2.79Å; L9-V34 HydrophobicContact CD1-CB 4.2Å; L9-V34 HydrophobicContact CD1-CG1 4.07Å; L9-V34 HydrophobicContact CG-CB 4.43Å; V10-V34 PolarHBondContact N-O 2.97Å; V10-V34 VanDerWaalsContact N-O 3.15Å; V34-T36 HydrophobicContact CG1-CG2 3.91Å; V34-R58 WeakPolarHBondContact CA-O 3.47Å; V34-R58 HydrophobicContact CG2-CB 4.31Å; V34-H60 HydrophobicContact CG1-CB 3.88Å; V34-F76 HydrophobicContact CG2-CE1 4.43Å
35L98.7Very high98.4Very high0 Ų052.2 Ų52.20%028%0.276CS..EExtended strand (participates in β ladder)trans-76.6128.5167.8-173.5157.3000108.2A13 L19 A22 A46 V47 L50 P57 R58 F59 H60A13-L35 HydrophobicContact CB-CD2 4.31Å; A13-L35 HydrophobicContact CB-CG 3.75Å; A13-L35 WeakPolarHBondContact O-CD1 3.37Å; L19-L35 HydrophobicContact CD1-CD1 4.02Å; A22-L35 HydrophobicContact CB-CD1 4.35Å; L35-A46 HydrophobicContact CD1-CB 4.03Å; L35-A46 HydrophobicContact CD2-CB 4.39Å; L35-V47 HydrophobicContact CB-CG2 4.34Å; L35-V47 HydrophobicContact CD1-CG2 4.25Å; L35-V47 HydrophobicContact CD2-CG2 4.41Å; L35-L50 HydrophobicContact CD1-CD1 3.96Å; L35-P57 HydrophobicContact CB-CB 4.26Å; L35-R58 PolarHBondContact N-O 3.35Å; L35-F59 HydrophobicContact CD2-CD2 4.01Å; L35-F59 HydrophobicContact CD2-CE2 4.31Å; L35-F59 WeakPolarHBondContact O-CA 3.42Å; L35-F59 WeakPolarHBondContact O-CD2 3.42Å; L35-H60 PolarHBondContact O-N 3.15Å
36T98.9Very high98.4Very high0 Ų052.4 Ų52.40%028%0.277CS..EExtended strand (participates in β ladder)trans-122.4149.1175.772.20000112.8L9 V10 T11 G12 A13 V34 H60 L62L9-T36 HydrophobicContact CD1-CG2 3.83Å; L9-T36 HydrophobicContact CD2-CG2 4.29Å; L9-T36 HydrophobicContact CG-CG2 3.96Å; V10-T36 PolarHBondContact O-N 3.39Å; V10-T36 PolarHBondContact O-OG1 3.01Å; T11-T36 VanDerWaalsContact CA-OG1 3.3Å; T11-T36 WeakPolarHBondContact CA-OG1 3.28Å; G12-T36 PolarHBondContact N-O 2.92Å; A13-T36 PolarHBondContact N-O 3.04Å; V34-T36 HydrophobicContact CG1-CG2 3.91Å; T36-H60 VanDerWaalsContact CA-O 3.24Å; T36-H60 WeakPolarHBondContact CA-O 3.46Å; T36-H60 VanDerWaalsContact CB-O 3.29Å; T36-H60 WeakPolarHBondContact CB-O 3.32Å; T36-H60 HydrophobicContact CG2-CB 4.42Å; T36-H60 WeakPolarHBondContact CG2-O 3.33Å; T36-L62 HydrophobicContact CG2-CB 4.22Å; T36-L62 HydrophobicContact CG2-CD2 4.45Å
37A98.7Very high98.4Very high0 Ų051.5 Ų51.50%027%0.271CS..EExtended strand (participates in β ladder)trans-152.3148178.800000110.3N14 D39 F59 L62N14-A37 HydrophobicContact CB-CB 3.76Å; A37-D39 VanDerWaalsContact C-N 3.33Å; A37-F59 HydrophobicContact CB-CE2 4Å; A37-F59 HydrophobicContact CB-CZ 4.5Å; A37-L62 CarbonylContact C-O 3.17Å; A37-L62 PolarHBondContact O-N 2.77Å
38R97.8Very high98.4Very high148 Ų14850.9 Ų50.956%0.55827%0.274SS*.SBendtrans-67.3-38.4175.967.9-178.8-177.3-173.21.3112Q61 L62 D63R38-Q61 PolarHBondContact O-NE2 3.06Å; R38-L62 WeakPolarHBondContact CA-O 3.14Å; R38-L62 PolarHBondContact N-O 3.49Å; R38-D63 HydrophobicContact CB-CB 3.91Å
39D98.4Very high98.4Very high63 Ų6350.5 Ų50.534%0.33727%0.272SS..SBendtrans-95.7117.4178.4-178.1-59.6000109.2A37 A41 R42 G43A37-D39 VanDerWaalsContact C-N 3.33Å; D39-A41 PolarHBondContact O-N 2.8Å; D39-A41 WeakPolarHBondContact OD1-CB 3.5Å; D39-A41 PolarHBondContact OD1-N 2.71Å; D39-R42 HydrophobicContact CB-CB 4.14Å; D39-R42 HydrophobicContact CB-CG 4.2Å; D39-R42 PolarHBondContact OD1-N 3.19Å; D39-R42 IonicContact OD2-NE 2.79Å; D39-G43 PolarHBondContact O-N 3.2Å
40V98.4Very high98.4Very high63 Ų6349.8 Ų49.838%0.38227%0.269SS..Hα-helixtrans-62.9-43-176.3174.50000111.6G43 Q44 F59 Q61V40-G43 PolarHBondContact O-N 3.42Å; V40-Q44 HydrophobicContact CG1-CG 4.3Å; V40-Q44 WeakPolarHBondContact O-CB 3.12Å; V40-Q44 WeakPolarHBondContact O-CG 3.45Å; V40-Q44 PolarHBondContact O-N 2.96Å; V40-F59 HydrophobicContact CB-CE1 4.47Å; V40-F59 HydrophobicContact CG1-CE1 4.06Å; V40-F59 HydrophobicContact CG2-CE1 4.46Å; V40-Q61 HydrophobicContact CG2-CB 4.03Å; V40-Q61 HydrophobicContact CG2-CG 3.63Å
41A98.5Very high98.5Very high67 Ų6750 Ų5055%0.55426%0.26SS*.Hα-helixtrans-65.6-44.9-177.100000111D39 G43 Q44 A45D39-A41 PolarHBondContact O-N 2.8Å; D39-A41 WeakPolarHBondContact OD1-CB 3.5Å; D39-A41 PolarHBondContact OD1-N 2.71Å; A41-G43 VanDerWaalsContact C-N 3.34Å; A41-G43 PolarHBondContact O-N 2.71Å; A41-Q44 PolarHBondContact O-N 2.98Å; A41-A45 WeakPolarHBondContact O-CB 3.46Å; A41-A45 PolarHBondContact O-N 3.5Å
42R98.4Very high98.5Very high133 Ų13353 Ų5350%0.50228%0.281SS..Hα-helixtrans-65.4-37.7175.4-65.4-177.8-171.6-162.4-0.2112.1N14 D39 A46N14-R42 HydrophobicContact CB-CB 4.31Å; D39-R42 HydrophobicContact CB-CB 4.14Å; D39-R42 HydrophobicContact CB-CG 4.2Å; D39-R42 PolarHBondContact OD1-N 3.19Å; D39-R42 IonicContact OD2-NE 2.79Å; R42-A46 WeakPolarHBondContact O-CB 3.5Å; R42-A46 PolarHBondContact O-N 2.84Å
43G98.5Very high98.5Very high0 Ų054.2 Ų54.20%029%0.285CS..Hα-helixtrans-63.3-46.1175.400000112.7D39 V40 A41 A46 V47D39-G43 PolarHBondContact O-N 3.2Å; V40-G43 PolarHBondContact O-N 3.42Å; A41-G43 VanDerWaalsContact C-N 3.34Å; A41-G43 PolarHBondContact O-N 2.71Å; G43-A46 PolarHBondContact O-N 3.49Å; G43-V47 PolarHBondContact O-N 2.96Å
44Q98.4Very high98.5Very high102 Ų10257.2 Ų57.248%0.47732%0.317SS..Hα-helixtrans-64.9-41.1176.5-73.1176-14.600112.2V40 A41 A46 V47 Q48 F59V40-Q44 HydrophobicContact CG1-CG 4.3Å; V40-Q44 WeakPolarHBondContact O-CB 3.12Å; V40-Q44 WeakPolarHBondContact O-CG 3.45Å; V40-Q44 PolarHBondContact O-N 2.96Å; A41-Q44 PolarHBondContact O-N 2.98Å; Q44-A46 VanDerWaalsContact C-N 3.31Å; Q44-A46 PolarHBondContact O-N 2.97Å; Q44-V47 PolarHBondContact O-N 3.29Å; Q44-Q48 WeakPolarHBondContact O-CG 3.25Å; Q44-Q48 PolarHBondContact O-N 3.2Å; Q44-F59 HydrophobicContact CG-CD1 4.27Å; Q44-F59 HydrophobicContact CG-CE1 4.46Å
45A98.6Very high98.5Very high50 Ų5058.2 Ų58.241%0.41332%0.323SS..Hα-helixtrans-60.6-40.8174.300000111.9A41 Q48 Q49A41-A45 WeakPolarHBondContact O-CB 3.46Å; A41-A45 PolarHBondContact O-N 3.5Å; A45-Q48 PolarHBondContact O-N 3.44Å; A45-Q49 PolarHBondContact O-N 2.87Å
46A98.6Very high98.4Very high3 Ų363 Ų633%0.02536%0.356CS..Hα-helixtrans-65.2-37.4175.300000112.6N14 L19 L35 R42 G43 Q44 Q49 L50N14-A46 HydrophobicContact CB-CB 4.14Å; L19-A46 HydrophobicContact CD1-CB 4.07Å; L35-A46 HydrophobicContact CD1-CB 4.03Å; L35-A46 HydrophobicContact CD2-CB 4.39Å; R42-A46 WeakPolarHBondContact O-CB 3.5Å; R42-A46 PolarHBondContact O-N 2.84Å; G43-A46 PolarHBondContact O-N 3.49Å; Q44-A46 VanDerWaalsContact C-N 3.31Å; Q44-A46 PolarHBondContact O-N 2.97Å; A46-Q49 WeakPolarHBondContact O-CB 3.49Å; A46-Q49 PolarHBondContact O-N 3.29Å; A46-L50 WeakPolarHBondContact O-CG 3.35Å; A46-L50 PolarHBondContact O-N 3.03Å; A46-L50 VanDerWaalsContact O-N 3.11Å
47V98.6Very high98.4Very high14 Ų1463.4 Ų63.49%0.08536%0.358CS..Hα-helixtrans-62.9-45.7171.9166.90000111.4L35 G43 Q44 Q49 L50 Q51 P57 F59L35-V47 HydrophobicContact CB-CG2 4.34Å; L35-V47 HydrophobicContact CD1-CG2 4.25Å; L35-V47 HydrophobicContact CD2-CG2 4.41Å; G43-V47 PolarHBondContact O-N 2.96Å; Q44-V47 PolarHBondContact O-N 3.29Å; V47-Q49 VanDerWaalsContact C-N 3.29Å; V47-Q49 PolarHBondContact O-N 2.95Å; V47-L50 PolarHBondContact O-N 3.29Å; V47-Q51 HydrophobicContact CG1-CG 4.28Å; V47-Q51 WeakPolarHBondContact O-CG 3.42Å; V47-Q51 PolarHBondContact O-N 3.27Å; V47-P57 HydrophobicContact CB-CG 4.47Å; V47-P57 HydrophobicContact CG1-CG 4.26Å; V47-P57 HydrophobicContact CG2-CG 4.13Å; V47-F59 HydrophobicContact CG2-CB 3.96Å; V47-F59 HydrophobicContact CG2-CD2 4.49Å
48Q98.6Very high98.4Very high128 Ų12868 Ų6860%0.59838%0.376SS*.Hα-helixtrans-60.9-39.2177-71.1173.2-4.200112Q44 A45 Q51 A52Q44-Q48 WeakPolarHBondContact O-CG 3.25Å; Q44-Q48 PolarHBondContact O-N 3.2Å; A45-Q48 PolarHBondContact O-N 3.44Å; Q48-Q51 PolarHBondContact O-N 2.98Å; Q48-A52 PolarHBondContact O-N 2.87Å
49Q98.5Very high98.4Very high94 Ų9463.5 Ų63.544%0.43936%0.36SS..Hα-helixtrans-58-49.1173.8179.9-178.1-15.100111.2A45 A46 V47 Q51 A52 E53A45-Q49 PolarHBondContact O-N 2.87Å; A46-Q49 WeakPolarHBondContact O-CB 3.49Å; A46-Q49 PolarHBondContact O-N 3.29Å; V47-Q49 VanDerWaalsContact C-N 3.29Å; V47-Q49 PolarHBondContact O-N 2.95Å; Q49-Q51 VanDerWaalsContact C-N 3.33Å; Q49-Q51 PolarHBondContact O-N 3Å; Q49-A52 WeakPolarHBondContact O-CB 3.13Å; Q49-A52 PolarHBondContact O-N 3.46Å; Q49-E53 PolarHBondContact O-N 3.28Å
50L98.4Very high98.5Very high0 Ų062.3 Ų62.30%035%0.353CS..Hα-helixtrans-68.5-31.6178.6-65.2-177.7000112.5L19 A22 R23 L35 A46 V47 A52 E53 G54 L55 P57L19-L50 HydrophobicContact CD1-CD1 3.8Å; L19-L50 HydrophobicContact CD1-CD2 4.11Å; L19-L50 HydrophobicContact CD1-CG 3.94Å; A22-L50 HydrophobicContact CB-CD1 4.37Å; R23-L50 HydrophobicContact CB-CD2 3.79Å; R23-L50 HydrophobicContact CG-CD2 4.06Å; L35-L50 HydrophobicContact CD1-CD1 3.96Å; A46-L50 WeakPolarHBondContact O-CG 3.35Å; A46-L50 PolarHBondContact O-N 3.03Å; A46-L50 VanDerWaalsContact O-N 3.11Å; V47-L50 PolarHBondContact O-N 3.29Å; L50-A52 VanDerWaalsContact C-N 3.35Å; L50-E53 WeakPolarHBondContact O-CA 3.44Å; L50-E53 WeakPolarHBondContact O-CB 3.46Å; L50-E53 PolarHBondContact O-N 3.18Å; L50-E53 VanDerWaalsContact O-N 3.1Å; L50-G54 PolarHBondContact O-N 3.4Å; L50-L55 HydrophobicContact CB-CB 4.29Å; L50-L55 HydrophobicContact CD2-CD1 4.23Å; L50-L55 WeakPolarHBondContact O-CB 3.35Å; L50-L55 PolarHBondContact O-N 2.95Å; L50-P57 HydrophobicContact CB-CG 3.9Å; L50-P57 HydrophobicContact CD1-CB 4.48Å; L50-P57 HydrophobicContact CD1-CG 3.82Å; L50-P57 HydrophobicContact CG-CG 4.48Å
51Q98.5Very high98.5Very high100 Ų10062.3 Ų62.347%0.46735%0.349SS..Hα-helixtrans-64.2-38.1172.5-73.9172.7-2000112.6V47 Q48 Q49 E53 G54 L55V47-Q51 HydrophobicContact CG1-CG 4.28Å; V47-Q51 WeakPolarHBondContact O-CG 3.42Å; V47-Q51 PolarHBondContact O-N 3.27Å; Q48-Q51 PolarHBondContact O-N 2.98Å; Q49-Q51 VanDerWaalsContact C-N 3.33Å; Q49-Q51 PolarHBondContact O-N 3Å; Q51-E53 PolarHBondContact O-N 2.95Å; Q51-G54 PolarHBondContact O-N 3.19Å; Q51-L55 WeakPolarHBondContact CA-O 3.27Å
52A98.4Very high98.5Very high94 Ų9459.3 Ų59.378%0.77732%0.323SS*.Hα-helixtrans-64.3-22.3173.200000112.7Q48 Q49 L50 G54Q48-A52 PolarHBondContact O-N 2.87Å; Q49-A52 WeakPolarHBondContact O-CB 3.13Å; Q49-A52 PolarHBondContact O-N 3.46Å; L50-A52 VanDerWaalsContact C-N 3.35Å; A52-G54 VanDerWaalsContact C-N 3.29Å
53E98.1Very high98.5Very high75 Ų7555.2 Ų55.235%0.3531%0.311SS..THydrogen-bonded Turntrans-85.13.2172.2-58.4176.9-147.600113.1R23 R27 Q49 L50 Q51 L55R23-E53 VanDerWaalsContact CD-OE2 3.29Å; R23-E53 WeakPolarHBondContact CD-OE2 3.18Å; R23-E53 IonicContact CZ-OE1 3.73Å; R23-E53 IonicContact CZ-OE2 3.68Å; R23-E53 IonicContact NE-OE1 3.32Å; R23-E53 PolarHBondContact NE-OE1 2.83Å; R23-E53 VanDerWaalsContact NE-OE1 3.17Å; R23-E53 IonicContact NE-OE2 2.72Å; R23-E53 PolarHBondContact NE-OE2 3.49Å; R23-E53 IonicContact NH2-OE1 2.77Å; R23-E53 PolarHBondContact NH2-OE1 2.81Å; R23-E53 IonicContact NH2-OE2 3.11Å; R27-E53 IonicContact NH2-OE2 2.73Å; Q49-E53 PolarHBondContact O-N 3.28Å; L50-E53 WeakPolarHBondContact O-CA 3.44Å; L50-E53 WeakPolarHBondContact O-CB 3.46Å; L50-E53 PolarHBondContact O-N 3.18Å; L50-E53 VanDerWaalsContact O-N 3.1Å; Q51-E53 PolarHBondContact O-N 2.95Å; E53-L55 HydrophobicContact CB-CD1 4.44Å; E53-L55 HydrophobicContact CB-CG 4.43Å
54G98.4Very high98.5Very high68 Ų6855.7 Ų55.770%0.70131%0.314SS*.THydrogen-bonded Turntrans81.312.3-177.300000114.6L50 Q51 A52L50-G54 PolarHBondContact O-N 3.4Å; Q51-G54 PolarHBondContact O-N 3.19Å; A52-G54 VanDerWaalsContact C-N 3.29Å
55L98.6Very high98.5Very high21 Ų2153.4 Ų53.411%0.1131%0.305CS..  trans-95.7166.4177.8-54.5172.7000110.8R23 C26 R27 L50 Q51 E53R23-L55 HydrophobicContact CB-CD1 4.38Å; R23-L55 HydrophobicContact CG-CD1 3.7Å; C26-L55 HydrophobicContact CB-CB 4Å; C26-L55 HydrophobicContact CB-CD1 4.02Å; C26-L55 HydrophobicContact CB-CD2 3.96Å; C26-L55 HydrophobicContact CB-CG 4.21Å; R27-L55 HydrophobicContact CG-CD1 4.49Å; R27-L55 HydrophobicContact CG-CD2 3.79Å; L50-L55 HydrophobicContact CB-CB 4.29Å; L50-L55 HydrophobicContact CD2-CD1 4.23Å; L50-L55 WeakPolarHBondContact O-CB 3.35Å; L50-L55 PolarHBondContact O-N 2.95Å; Q51-L55 WeakPolarHBondContact CA-O 3.27Å; E53-L55 HydrophobicContact CB-CD1 4.44Å; E53-L55 HydrophobicContact CB-CG 4.43Å
56S97.8Very high98.5Very high101 Ų10154.6 Ų54.671%0.70630%0.304SS*.  trans-140.661.9-176.7-67.10000112.8
57P98.2Very high98.5Very high7 Ų757.2 Ų57.25%0.04532%0.318CS..  trans-66.3145.2172.430.3-35.2000111V33 L35 V47 L50V33-P57 CarbonylContact O-C 3.55Å; V33-P57 WeakPolarHBondContact O-CA 3.25Å; L35-P57 HydrophobicContact CB-CB 4.26Å; V47-P57 HydrophobicContact CB-CG 4.47Å; V47-P57 HydrophobicContact CG1-CG 4.26Å; V47-P57 HydrophobicContact CG2-CG 4.13Å; L50-P57 HydrophobicContact CB-CG 3.9Å; L50-P57 HydrophobicContact CD1-CB 4.48Å; L50-P57 HydrophobicContact CD1-CG 3.82Å; L50-P57 HydrophobicContact CG-CG 4.48Å
58R98.5Very high98.5Very high97 Ų9762.9 Ų62.937%0.36634%0.343SS..EExtended strand (participates in β ladder)trans-81.4156.7163.4-63.3-166.976.1-179.13109.8V33 V34 L35 E80 Y81V33-R58 PolarHBondContact O-N 3.19Å; V34-R58 WeakPolarHBondContact CA-O 3.47Å; V34-R58 HydrophobicContact CG2-CB 4.31Å; L35-R58 PolarHBondContact N-O 3.35Å; R58-E80 IonicContact NH1-OE2 3.45Å; R58-Y81 WeakPolarHBondContact CD-OH 3.48Å; R58-Y81 PolarHBondContact NH1-OH 2.75Å
59F98.8Very high98.5Very high53 Ų5357.1 Ų57.123%0.23232%0.317CS..EExtended strand (participates in β ladder)trans-112.6140.2173.6-178.4-111.8000111.4L35 A37 V40 Q44 V47 Q61L35-F59 HydrophobicContact CD2-CD2 4.01Å; L35-F59 HydrophobicContact CD2-CE2 4.31Å; L35-F59 WeakPolarHBondContact O-CA 3.42Å; L35-F59 WeakPolarHBondContact O-CD2 3.42Å; A37-F59 HydrophobicContact CB-CE2 4Å; A37-F59 HydrophobicContact CB-CZ 4.5Å; V40-F59 HydrophobicContact CB-CE1 4.47Å; V40-F59 HydrophobicContact CG1-CE1 4.06Å; V40-F59 HydrophobicContact CG2-CE1 4.46Å; Q44-F59 HydrophobicContact CG-CD1 4.27Å; Q44-F59 HydrophobicContact CG-CE1 4.46Å; V47-F59 HydrophobicContact CG2-CB 3.96Å; V47-F59 HydrophobicContact CG2-CD2 4.49Å; F59-Q61 HydrophobicContact CE1-CB 4.42Å; F59-Q61 HydrophobicContact CZ-CB 4.38Å
60H98.8Very high98.6Very high38 Ų3852.7 Ų52.718%0.17630%0.296CS..EExtended strand (participates in β ladder)trans-140.6137.4161.3-165.1-73.5000109.3V34 L35 T36 L73 F76V34-H60 HydrophobicContact CG1-CB 3.88Å; L35-H60 PolarHBondContact O-N 3.15Å; T36-H60 VanDerWaalsContact CA-O 3.24Å; T36-H60 WeakPolarHBondContact CA-O 3.46Å; T36-H60 VanDerWaalsContact CB-O 3.29Å; T36-H60 WeakPolarHBondContact CB-O 3.32Å; T36-H60 HydrophobicContact CG2-CB 4.42Å; T36-H60 WeakPolarHBondContact CG2-O 3.33Å; H60-L73 HydrophobicContact CB-CD1 4Å; H60-F76 AromaticContact CD2-CD1 3.55Å; H60-F76 AromaticContact CD2-CD2 3.74Å; H60-F76 AromaticContact CD2-CE1 3.99Å; H60-F76 AromaticContact CD2-CG 3.42Å; H60-F76 VanDerWaalsContact CD2-CG 3.42Å; H60-F76 WeakPolarHBondContact CD2-CG 3.45Å; H60-F76 AromaticContact NE2-CG 3.68Å
61Q98.8Very high98.6Very high63 Ų6357 Ų5729%0.29431%0.313SS..EExtended strand (participates in β ladder)trans-65.6139.4175.4-169.5-79.4-24.600109.8R38 V40 F59 S69R38-Q61 PolarHBondContact O-NE2 3.06Å; V40-Q61 HydrophobicContact CG2-CB 4.03Å; V40-Q61 HydrophobicContact CG2-CG 3.63Å; F59-Q61 HydrophobicContact CE1-CB 4.42Å; F59-Q61 HydrophobicContact CZ-CB 4.38Å; Q61-S69 PolarHBondContact OE1-OG 2.96Å
62L98.9Very high98.6Very high5 Ų554.8 Ų54.83%0.02631%0.311CS..  trans-152.4117.7173.4-179.866000110.4T11 T36 A37 R38 I64 S69 I70 L73 M121T11-L62 HydrophobicContact CG2-CD2 3.72Å; T36-L62 HydrophobicContact CG2-CB 4.22Å; T36-L62 HydrophobicContact CG2-CD2 4.45Å; A37-L62 CarbonylContact C-O 3.17Å; A37-L62 PolarHBondContact O-N 2.77Å; R38-L62 WeakPolarHBondContact CA-O 3.14Å; R38-L62 PolarHBondContact N-O 3.49Å; L62-I64 HydrophobicContact CD2-CG2 3.86Å; L62-I64 HydrophobicContact CG-CG2 4.03Å; L62-S69 WeakPolarHBondContact CA-OG 3.46Å; L62-I70 HydrophobicContact CD1-CG1 4.17Å; L62-L73 HydrophobicContact CB-CD2 4.45Å; L62-L73 HydrophobicContact CD1-CB 4.32Å; L62-L73 HydrophobicContact CD1-CD2 3.74Å; L62-L73 HydrophobicContact CD2-CD2 3.76Å; L62-L73 HydrophobicContact CG-CD2 4.18Å; L62-M121 HydrophobicContact CD1-CE 4.44Å; L62-M121 HydrophobicContact CD1-SD 4.01Å; L62-M121 HydrophobicContact CD2-CE 3.66Å; L62-M121 HydrophobicContact CD2-SD 4.02Å; L62-M121 HydrophobicContact CG-SD 4.5Å
63D98.8Very high98.6Very high47 Ų4750.3 Ų50.325%0.25127%0.274SS..  trans-105.5117.4158.1-163.8-26.8000108.8R38 D65 D66 S69R38-D63 HydrophobicContact CB-CB 3.91Å; D63-D65 PolarHBondContact O-N 3.09Å; D63-D65 PolarHBondContact OD1-N 3.44Å; D63-D66 HydrophobicContact CB-CB 4.31Å; D63-D66 PolarHBondContact O-N 2.93Å; D63-S69 PolarHBondContact N-OG 2.87Å
64I98.6Very high98.6Very high9 Ų949.2 Ų49.25%0.04627%0.267CS..THydrogen-bonded Turntrans-71.6-19-178.165.3162.4000112T11 L62 D66 I70 A91 T113 A117 M121T11-I64 HydrophobicContact CG2-CG2 4.43Å; L62-I64 HydrophobicContact CD2-CG2 3.86Å; L62-I64 HydrophobicContact CG-CG2 4.03Å; I64-D66 VanDerWaalsContact C-N 3.25Å; I64-D66 PolarHBondContact O-N 3.36Å; I64-I70 WeakPolarHBondContact O-CD1 3.24Å; I64-A91 HydrophobicContact CD1-CB 3.75Å; I64-A91 HydrophobicContact CG1-CB 4.27Å; I64-A91 HydrophobicContact CG2-CB 4.39Å; I64-T113 HydrophobicContact CD1-CG2 3.86Å; I64-T113 HydrophobicContact CG1-CG2 4.2Å; I64-A117 HydrophobicContact CB-CB 3.95Å; I64-A117 HydrophobicContact CD1-CB 3.73Å; I64-A117 HydrophobicContact CG1-CB 3.72Å; I64-A117 WeakPolarHBondContact O-CB 3.49Å; I64-M121 HydrophobicContact CB-CG 4.1Å; I64-M121 HydrophobicContact CB-SD 4.43Å; I64-M121 HydrophobicContact CG2-CG 3.76Å; I64-M121 HydrophobicContact CG2-SD 3.82Å
65D98.6Very high98.7Very high54 Ų5449.7 Ų49.729%0.28925%0.253SS..THydrogen-bonded Turntrans-80.6-6.6175.3-72.1-36.2000112.8D63 T113 A117D63-D65 PolarHBondContact O-N 3.09Å; D63-D65 PolarHBondContact OD1-N 3.44Å; D65-T113 VanDerWaalsContact OD1-CA 3.23Å; D65-T113 WeakPolarHBondContact OD1-CA 3.46Å; D65-T113 PolarHBondContact OD1-OG1 2.71Å; D65-T113 PolarHBondContact OD2-OG1 2.8Å; D65-A117 WeakPolarHBondContact OD1-CB 3.42Å
66D98.8Very high98.7Very high75 Ų7550.4 Ų50.440%0.40126%0.256SS..  trans-112.7109175.8176.113.8000111.6D63 I64 Q68 S69 I70D63-D66 HydrophobicContact CB-CB 4.31Å; D63-D66 PolarHBondContact O-N 2.93Å; I64-D66 VanDerWaalsContact C-N 3.25Å; I64-D66 PolarHBondContact O-N 3.36Å; D66-Q68 PolarHBondContact O-N 2.85Å; D66-Q68 WeakPolarHBondContact OD1-CB 3.33Å; D66-Q68 PolarHBondContact OD1-N 3.25Å; D66-S69 WeakPolarHBondContact O-CB 3.04Å; D66-S69 PolarHBondContact O-N 2.9Å; D66-S69 VanDerWaalsContact O-N 3.07Å; D66-S69 PolarHBondContact OD2-N 3.47Å; D66-I70 WeakPolarHBondContact O-CG1 3.29Å; D66-I70 PolarHBondContact O-N 2.96Å; D66-I70 VanDerWaalsContact O-N 3.09Å
67L98.5Very high98.7Very high59 Ų5945.6 Ų45.631%0.30922%0.222SC..Hα-helixtrans-60.9-29.5179.9-173.660.2000113.5I70 R71 N120 E124L67-I70 HydrophobicContact CD1-CD1 4.45Å; L67-R71 WeakPolarHBondContact O-CB 3.47Å; L67-R71 VanDerWaalsContact O-CG 3.28Å; L67-R71 WeakPolarHBondContact O-CG 3.38Å; L67-R71 PolarHBondContact O-N 2.84Å; L67-N120 HydrophobicContact CD1-CB 4.38Å; L67-E124 HydrophobicContact CD1-CG 4.1Å
68Q98.7Very high98.7Very high133 Ų13352.4 Ų52.462%0.62125%0.247SC*.Hα-helixtrans-69.4-42.1175.1-72.2-80.42.200110.8D66 I70 R71 A72D66-Q68 PolarHBondContact O-N 2.85Å; D66-Q68 WeakPolarHBondContact OD1-CB 3.33Å; D66-Q68 PolarHBondContact OD1-N 3.25Å; Q68-I70 VanDerWaalsContact C-N 3.34Å; Q68-I70 PolarHBondContact O-N 2.96Å; Q68-R71 PolarHBondContact O-N 2.79Å; Q68-A72 WeakPolarHBondContact O-CB 3.48Å; Q68-A72 PolarHBondContact O-N 2.88Å
69S98.8Very high98.7Very high7 Ų755.9 Ų55.95%0.04927%0.265CS..Hα-helixtrans-58.2-44.7173.4-174.50000111.7Q61 L62 D63 D66 R71 A72 L73Q61-S69 PolarHBondContact OE1-OG 2.96Å; L62-S69 WeakPolarHBondContact CA-OG 3.46Å; D63-S69 PolarHBondContact N-OG 2.87Å; D66-S69 WeakPolarHBondContact O-CB 3.04Å; D66-S69 PolarHBondContact O-N 2.9Å; D66-S69 VanDerWaalsContact O-N 3.07Å; D66-S69 PolarHBondContact OD2-N 3.47Å; S69-R71 PolarHBondContact O-N 2.93Å; S69-A72 PolarHBondContact O-N 3.23Å; S69-L73 PolarHBondContact O-N 3.36Å; S69-L73 VanDerWaalsContact O-N 3.08Å
70I98.9Very high98.6Very high0 Ų057.1 Ų57.10%027%0.271CS..Hα-helixtrans-59.4-46.3174.8-57178.3000111.5L62 I64 D66 L67 Q68 L73 R74 N120 M121 E124L62-I70 HydrophobicContact CD1-CG1 4.17Å; I64-I70 WeakPolarHBondContact O-CD1 3.24Å; D66-I70 WeakPolarHBondContact O-CG1 3.29Å; D66-I70 PolarHBondContact O-N 2.96Å; D66-I70 VanDerWaalsContact O-N 3.09Å; L67-I70 HydrophobicContact CD1-CD1 4.45Å; Q68-I70 VanDerWaalsContact C-N 3.34Å; Q68-I70 PolarHBondContact O-N 2.96Å; I70-L73 WeakPolarHBondContact O-CB 3.42Å; I70-L73 PolarHBondContact O-N 2.92Å; I70-R74 PolarHBondContact O-N 3.26Å; I70-N120 HydrophobicContact CD1-CB 3.74Å; I70-M121 HydrophobicContact CB-SD 4.17Å; I70-M121 HydrophobicContact CD1-CG 4.15Å; I70-M121 HydrophobicContact CD1-SD 3.78Å; I70-M121 HydrophobicContact CG1-SD 3.57Å; I70-M121 VanDerWaalsContact CG1-SD 3.57Å; I70-M121 HydrophobicContact CG2-SD 3.69Å; I70-E124 HydrophobicContact CG2-CB 3.63Å; I70-E124 HydrophobicContact CG2-CG 3.84Å
71R98.8Very high98.6Very high92 Ų9255.7 Ų55.735%0.34726%0.264SS..Hα-helixtrans-67.1-39.3-178.9-74.7170175.8171.9-0.8112.4L67 Q68 S69 L73 R74 D75 E124L67-R71 WeakPolarHBondContact O-CB 3.47Å; L67-R71 VanDerWaalsContact O-CG 3.28Å; L67-R71 WeakPolarHBondContact O-CG 3.38Å; L67-R71 PolarHBondContact O-N 2.84Å; Q68-R71 PolarHBondContact O-N 2.79Å; S69-R71 PolarHBondContact O-N 2.93Å; R71-L73 VanDerWaalsContact C-N 3.31Å; R71-L73 PolarHBondContact O-N 3.03Å; R71-R74 WeakPolarHBondContact O-CB 3.3Å; R71-R74 PolarHBondContact O-N 3.45Å; R71-D75 WeakPolarHBondContact O-CB 3.42Å; R71-D75 PolarHBondContact O-N 3.46Å; R71-E124 IonicContact CZ-OE1 3.67Å; R71-E124 IonicContact NE-OE1 3.68Å; R71-E124 PolarHBondContact NE-OE1 3.48Å; R71-E124 IonicContact NH2-OE1 3.17Å; R71-E124 PolarHBondContact NH2-OE1 2.87Å
72A98.9Very high98.5Very high53 Ų5355.4 Ų55.444%0.43828%0.278SS..Hα-helixtrans-59.2-44.4173.900000111Q68 S69 D75 F76Q68-A72 WeakPolarHBondContact O-CB 3.48Å; Q68-A72 PolarHBondContact O-N 2.88Å; S69-A72 PolarHBondContact O-N 3.23Å; A72-D75 PolarHBondContact O-N 3.06Å; A72-F76 WeakPolarHBondContact O-CB 3.47Å; A72-F76 PolarHBondContact O-N 3.17Å
73L98.9Very high98.5Very high0 Ų055.2 Ų55.20%028%0.277CS..Hα-helixtrans-62.9-45.3174.2173.466.4000112.4L9 H60 L62 S69 I70 R71 D75 F76 L77 M121L9-L73 HydrophobicContact CD1-CD1 3.58Å; L9-L73 HydrophobicContact CD1-CD2 3.6Å; L9-L73 HydrophobicContact CD1-CG 4.01Å; L9-L73 HydrophobicContact CD2-CD2 4.28Å; H60-L73 HydrophobicContact CB-CD1 4Å; L62-L73 HydrophobicContact CB-CD2 4.45Å; L62-L73 HydrophobicContact CD1-CB 4.32Å; L62-L73 HydrophobicContact CD1-CD2 3.74Å; L62-L73 HydrophobicContact CD2-CD2 3.76Å; L62-L73 HydrophobicContact CG-CD2 4.18Å; S69-L73 PolarHBondContact O-N 3.36Å; S69-L73 VanDerWaalsContact O-N 3.08Å; I70-L73 WeakPolarHBondContact O-CB 3.42Å; I70-L73 PolarHBondContact O-N 2.92Å; R71-L73 VanDerWaalsContact C-N 3.31Å; R71-L73 PolarHBondContact O-N 3.03Å; L73-D75 VanDerWaalsContact C-N 3.28Å; L73-D75 PolarHBondContact O-N 3.29Å; L73-F76 HydrophobicContact CD1-CD1 4.12Å; L73-F76 WeakPolarHBondContact O-CB 3.44Å; L73-F76 PolarHBondContact O-N 3.21Å; L73-L77 HydrophobicContact CD1-CD1 4.31Å; L73-L77 HydrophobicContact CD1-CG 4.24Å; L73-L77 HydrophobicContact CG-CD1 4.15Å; L73-L77 WeakPolarHBondContact O-CG 3.5Å; L73-L77 PolarHBondContact O-N 2.71Å; L73-M121 HydrophobicContact CD2-CE 4.28Å
74R98.8Very high98.5Very high52 Ų5253 Ų5320%0.19627%0.265CS..Hα-helixtrans-55.5-46.4176.3179.9-159.468.3-166.2-2.9110.9I70 R71 L77 R78 E124 L125 I128I70-R74 PolarHBondContact O-N 3.26Å; R71-R74 WeakPolarHBondContact O-CB 3.3Å; R71-R74 PolarHBondContact O-N 3.45Å; R74-L77 PolarHBondContact O-N 2.83Å; R74-R78 WeakPolarHBondContact O-CG 3.39Å; R74-R78 PolarHBondContact O-N 2.71Å; R74-E124 WeakPolarHBondContact CD-O 3.33Å; R74-E124 IonicContact CZ-OE2 2.95Å; R74-E124 IonicContact NE-OE2 3.61Å; R74-E124 IonicContact NH1-OE2 3.93Å; R74-E124 PolarHBondContact NH1-OE2 3.1Å; R74-L125 HydrophobicContact CB-CD2 3.75Å; R74-L125 HydrophobicContact CG-CD2 4.09Å; R74-I128 HydrophobicContact CG-CD1 4.02Å; R74-I128 HydrophobicContact CG-CG2 4.47Å
75D98.8Very high98.5Very high78 Ų7853 Ų5342%0.41727%0.266SS..Hα-helixtrans-69.4-37.7-177.2-65.6-12.6000111.4R71 A72 L73 R78 K79R71-D75 WeakPolarHBondContact O-CB 3.42Å; R71-D75 PolarHBondContact O-N 3.46Å; A72-D75 PolarHBondContact O-N 3.06Å; L73-D75 VanDerWaalsContact C-N 3.28Å; L73-D75 PolarHBondContact O-N 3.29Å; D75-R78 PolarHBondContact O-N 3.29Å; D75-K79 VanDerWaalsContact O-CB 3.26Å; D75-K79 WeakPolarHBondContact O-CB 3.09Å; D75-K79 PolarHBondContact O-N 3.39Å
76F98.7Very high98.5Very high36 Ų3650.4 Ų50.416%0.15825%0.252CS..Hα-helixtrans-56.5-50.7168.2164.2-96.3000111.9V34 H60 A72 L73 R78 K79 E80 Y81V34-F76 HydrophobicContact CG2-CE1 4.43Å; H60-F76 AromaticContact CD2-CD1 3.55Å; H60-F76 AromaticContact CD2-CD2 3.74Å; H60-F76 AromaticContact CD2-CE1 3.99Å; H60-F76 AromaticContact CD2-CG 3.42Å; H60-F76 VanDerWaalsContact CD2-CG 3.42Å; H60-F76 WeakPolarHBondContact CD2-CG 3.45Å; H60-F76 AromaticContact NE2-CG 3.68Å; A72-F76 WeakPolarHBondContact O-CB 3.47Å; A72-F76 PolarHBondContact O-N 3.17Å; L73-F76 HydrophobicContact CD1-CD1 4.12Å; L73-F76 WeakPolarHBondContact O-CB 3.44Å; L73-F76 PolarHBondContact O-N 3.21Å; F76-R78 VanDerWaalsContact C-N 3.35Å; F76-R78 PolarHBondContact O-N 2.91Å; F76-K79 PolarHBondContact O-N 3.15Å; F76-E80 HydrophobicContact CD2-CG 3.71Å; F76-E80 HydrophobicContact CE2-CB 4.49Å; F76-E80 HydrophobicContact CE2-CG 3.58Å; F76-E80 HydrophobicContact CG-CG 4.41Å; F76-E80 HydrophobicContact CZ-CG 4.17Å; F76-E80 WeakPolarHBondContact O-CB 3.33Å; F76-E80 WeakPolarHBondContact O-CG 3.28Å; F76-E80 PolarHBondContact O-N 2.77Å; F76-Y81 HydrophobicContact CE1-CE2 4.06Å; F76-Y81 HydrophobicContact CZ-CE2 4.13Å
77L98.7Very high98.5Very high0 Ų046.9 Ų46.90%023%0.233CC..Hα-helixtrans-62.6-40.2-179.5-69.8169.6000112.4V7 L9 L73 R74 Y81 G82 G83 L84 L125 I128V7-L77 HydrophobicContact CG1-CD2 4.29Å; V7-L77 HydrophobicContact CG2-CD2 4.29Å; L9-L77 HydrophobicContact CD1-CD1 4.14Å; L9-L77 HydrophobicContact CD1-CD2 4.39Å; L73-L77 HydrophobicContact CD1-CD1 4.31Å; L73-L77 HydrophobicContact CD1-CG 4.24Å; L73-L77 HydrophobicContact CG-CD1 4.15Å; L73-L77 WeakPolarHBondContact O-CG 3.5Å; L73-L77 PolarHBondContact O-N 2.71Å; R74-L77 PolarHBondContact O-N 2.83Å; L77-Y81 HydrophobicContact CD2-CD2 4.11Å; L77-Y81 WeakPolarHBondContact O-CA 3.49Å; L77-Y81 WeakPolarHBondContact O-CB 3.11Å; L77-Y81 PolarHBondContact O-N 2.83Å; L77-G82 PolarHBondContact O-N 3.4Å; L77-G83 PolarHBondContact O-N 3.08Å; L77-L84 HydrophobicContact CD1-CB 4.48Å; L77-L84 HydrophobicContact CD1-CD1 4.31Å; L77-L84 HydrophobicContact CD1-CD2 4.16Å; L77-L84 HydrophobicContact CD2-CD1 4.28Å; L77-L125 HydrophobicContact CD1-CD2 4.09Å; L77-I128 HydrophobicContact CB-CD1 3.91Å; L77-I128 HydrophobicContact CD1-CD1 4.2Å
78R98.2Very high98.6Very high149 Ų14944 Ų4456%0.56222%0.218SC*.Hα-helixtrans-64.6-43.8175.3-71.3-177.978.5168.53.1111.7R74 D75 F76 G82 I128R74-R78 WeakPolarHBondContact O-CG 3.39Å; R74-R78 PolarHBondContact O-N 2.71Å; D75-R78 PolarHBondContact O-N 3.29Å; F76-R78 VanDerWaalsContact C-N 3.35Å; F76-R78 PolarHBondContact O-N 2.91Å; R78-G82 WeakPolarHBondContact O-CA 3.2Å; R78-G82 PolarHBondContact O-N 3.11Å; R78-I128 HydrophobicContact CG-CB 4.34Å; R78-I128 HydrophobicContact CG-CD1 4.11Å; R78-I128 HydrophobicContact CG-CG2 3.75Å
79K97.8Very high98.6Very high171 Ų17138 Ų3874%0.74319%0.19SC*.Hα-helixtrans-67.6-47.5-177.8-178.1-177174.8-172.10112.2D75 F76D75-K79 VanDerWaalsContact O-CB 3.26Å; D75-K79 WeakPolarHBondContact O-CB 3.09Å; D75-K79 PolarHBondContact O-N 3.39Å; F76-K79 PolarHBondContact O-N 3.15Å
80E97.5Very high98.6Very high79 Ų7938.5 Ų38.537%0.36919%0.192SC..Hα-helixtrans-85.4-35.5-171.2-62.9-72.1132.500112.6R58 F76R58-E80 IonicContact NH1-OE2 3.45Å; F76-E80 HydrophobicContact CD2-CG 3.71Å; F76-E80 HydrophobicContact CE2-CB 4.49Å; F76-E80 HydrophobicContact CE2-CG 3.58Å; F76-E80 HydrophobicContact CG-CG 4.41Å; F76-E80 HydrophobicContact CZ-CG 4.17Å; F76-E80 WeakPolarHBondContact O-CB 3.33Å; F76-E80 WeakPolarHBondContact O-CG 3.28Å; F76-E80 PolarHBondContact O-N 2.77Å
81Y98Very high98.5Very high7 Ų739.4 Ų39.43%0.02720%0.199CC..Hα-helixtrans-120.7-10.6-171.1-59.6-78.8000113.5S5 V7 D32 R58 F76 L77 G83 K130S5-Y81 WeakPolarHBondContact O-CD1 3.37Å; V7-Y81 HydrophobicContact CB-CD1 3.74Å; V7-Y81 HydrophobicContact CB-CD2 4.12Å; V7-Y81 HydrophobicContact CB-CE1 3.91Å; V7-Y81 HydrophobicContact CB-CE2 4.28Å; V7-Y81 HydrophobicContact CB-CG 3.85Å; V7-Y81 HydrophobicContact CG1-CD1 3.93Å; V7-Y81 HydrophobicContact CG1-CD2 3.9Å; V7-Y81 HydrophobicContact CG1-CG 3.57Å; V7-Y81 HydrophobicContact CG2-CD1 4.41Å; V7-Y81 HydrophobicContact CG2-CD2 4.13Å; V7-Y81 HydrophobicContact CG2-CE1 4.21Å; V7-Y81 HydrophobicContact CG2-CE2 3.93Å; V7-Y81 HydrophobicContact CG2-CG 4.37Å; D32-Y81 HydrophobicContact CB-CE1 3.98Å; D32-Y81 VanDerWaalsContact OD2-CE1 3.25Å; D32-Y81 WeakPolarHBondContact OD2-CE1 3.33Å; D32-Y81 PolarHBondContact OD2-OH 3.03Å; R58-Y81 WeakPolarHBondContact CD-OH 3.48Å; R58-Y81 PolarHBondContact NH1-OH 2.75Å; F76-Y81 HydrophobicContact CE1-CE2 4.06Å; F76-Y81 HydrophobicContact CZ-CE2 4.13Å; L77-Y81 HydrophobicContact CD2-CD2 4.11Å; L77-Y81 WeakPolarHBondContact O-CA 3.49Å; L77-Y81 WeakPolarHBondContact O-CB 3.11Å; L77-Y81 PolarHBondContact O-N 2.83Å; Y81-G83 WeakPolarHBondContact CB-O 3.31Å; Y81-G83 PolarHBondContact O-N 3.4Å; Y81-K130 VanDerWaalsContact O-CE 3.22Å; Y81-K130 WeakPolarHBondContact O-CE 3.12Å; Y81-K130 PolarHBondContact O-NZ 3.29Å
82G97.7Very high98.3Very high57 Ų5736.4 Ų36.459%0.58820%0.195SC*.SBendtrans68.914.3-172.300000113.9L77 R78L77-G82 PolarHBondContact O-N 3.4Å; R78-G82 WeakPolarHBondContact O-CA 3.2Å; R78-G82 PolarHBondContact O-N 3.11Å
83G98.2Very high98.1Very high1 Ų135.8 Ų35.81%0.0119%0.185CC..SBendtrans144.6-167.3-177.800000113.3V7 L77 Y81 I128V7-G83 WeakPolarHBondContact CG1-O 3.43Å; L77-G83 PolarHBondContact O-N 3.08Å; Y81-G83 WeakPolarHBondContact CB-O 3.31Å; Y81-G83 PolarHBondContact O-N 3.4Å; G83-I128 CarbonylContact C-O 3.55Å; G83-I128 WeakPolarHBondContact CA-O 3.38Å
84L98.7Very high97.8Very high0 Ų037.6 Ų37.60%020%0.2CC..EExtended strand (participates in β ladder)trans-128.3140-175.5-177.359000111.5V7 L9 L77 V86 L87 L125 I128 M129 K130V7-L84 HydrophobicContact CG1-CD1 3.94Å; L9-L84 HydrophobicContact CB-CD1 3.94Å; L77-L84 HydrophobicContact CD1-CB 4.48Å; L77-L84 HydrophobicContact CD1-CD1 4.31Å; L77-L84 HydrophobicContact CD1-CD2 4.16Å; L77-L84 HydrophobicContact CD2-CD1 4.28Å; L84-V86 WeakPolarHBondContact CD1-O 3.5Å; L84-L87 HydrophobicContact CD2-CB 3.84Å; L84-L87 HydrophobicContact CD2-CD1 4.28Å; L84-L87 HydrophobicContact CD2-CG 4.48Å; L84-L125 HydrophobicContact CD2-CB 4.42Å; L84-L125 HydrophobicContact CD2-CD1 4.1Å; L84-I128 PolarHBondContact N-O 3.37Å; L84-M129 HydrophobicContact CB-SD 3.7Å; L84-M129 HydrophobicContact CD2-SD 3.68Å; L84-M129 HydrophobicContact CG-CE 4.47Å; L84-M129 HydrophobicContact CG-SD 3.6Å; L84-M129 VanDerWaalsContact CG-SD 3.6Å; L84-M129 CarbonylContact O-C 3.57Å; L84-M129 WeakPolarHBondContact O-CA 3.35Å; L84-K130 PolarHBondContact O-N 2.92Å
85N98.8Very high97.5Very high10 Ų1037.8 Ų37.85%0.05320%0.202CC..EExtended strand (participates in β ladder)trans-101-39.4177.2-6493.1000112.6R6 V7 F29 M129 G133 R134R6-N85 VanDerWaalsContact CA-OD1 3.25Å; R6-N85 WeakPolarHBondContact CA-OD1 3.47Å; V7-N85 PolarHBondContact N-OD1 3.1Å; V7-N85 WeakPolarHBondContact O-CB 3.43Å; V7-N85 PolarHBondContact O-N 3.01Å; F29-N85 HydrophobicContact CZ-CB 4.12Å; N85-M129 VanDerWaalsContact O-CE 3.31Å; N85-M129 WeakPolarHBondContact O-CE 3.19Å; N85-G133 CarbonylContact O-C 3.57Å; N85-G133 WeakPolarHBondContact O-CA 3.28Å; N85-R134 PolarHBondContact O-N 3.46Å
86V98.9Very high96.8Very high0 Ų040.7 Ų40.70%021%0.211CC..EExtended strand (participates in β ladder)trans-133.8128.1-179.5176.30000109.5V7 A8 L9 F29 L84 V88 R134 A255V7-V86 PolarHBondContact O-N 3.39Å; V7-V86 VanDerWaalsContact O-N 3.17Å; A8-V86 CarbonylContact C-O 3.56Å; A8-V86 WeakPolarHBondContact CA-O 3.45Å; A8-V86 HydrophobicContact CB-CB 3.7Å; A8-V86 HydrophobicContact CB-CG1 4.18Å; A8-V86 HydrophobicContact CB-CG2 4.36Å; L9-V86 PolarHBondContact N-O 3.26Å; F29-V86 HydrophobicContact CD2-CG2 4.25Å; F29-V86 HydrophobicContact CE2-CG2 3.62Å; F29-V86 HydrophobicContact CZ-CG2 4.26Å; L84-V86 WeakPolarHBondContact CD1-O 3.5Å; V86-V88 HydrophobicContact CG1-CG2 4.1Å; V86-R134 CarbonylContact C-O 3.45Å; V86-R134 VanDerWaalsContact CA-O 3.28Å; V86-R134 WeakPolarHBondContact CA-O 3.3Å; V86-R134 HydrophobicContact CG2-CB 4.42Å; V86-A255 HydrophobicContact CG1-CB 3.71Å
87L98.9Very high95.9Very high0 Ų045.4 Ų45.40%025%0.248CC..EExtended strand (participates in β ladder)trans-118.2122.8172.5175.658.2000109.6L9 L84 M121 L125 M129 R134 V135 V136L9-L87 HydrophobicContact CD2-CD1 3.72Å; L84-L87 HydrophobicContact CD2-CB 3.84Å; L84-L87 HydrophobicContact CD2-CD1 4.28Å; L84-L87 HydrophobicContact CD2-CG 4.48Å; L87-M121 HydrophobicContact CD1-CE 4.42Å; L87-L125 HydrophobicContact CD1-CD1 3.85Å; L87-L125 HydrophobicContact CD2-CB 4.09Å; L87-L125 HydrophobicContact CD2-CD1 4.08Å; L87-M129 HydrophobicContact CB-SD 4.31Å; L87-R134 PolarHBondContact N-O 3.27Å; L87-V135 HydrophobicContact CB-CG1 4.27Å; L87-V135 HydrophobicContact CB-CG2 4.33Å; L87-V135 HydrophobicContact CD2-CG1 4.14Å; L87-V135 HydrophobicContact CG-CG1 4.31Å; L87-V135 CarbonylContact O-C 3.5Å; L87-V135 WeakPolarHBondContact O-CA 3.3Å; L87-V136 PolarHBondContact O-N 2.97Å
88V98.9Very high95.3Very high0 Ų051.8 Ų51.80%028%0.283CS..EExtended strand (participates in β ladder)trans-114.6100.4171.6-174.80000109.5L9 V10 T11 I21 L25 V86 N90 V136 I138 A255L9-V88 PolarHBondContact O-N 3.35Å; V10-V88 HydrophobicContact CB-CB 4.48Å; V10-V88 HydrophobicContact CG1-CB 4.17Å; V10-V88 HydrophobicContact CG1-CG1 4.24Å; V10-V88 HydrophobicContact CG2-CB 4.3Å; V10-V88 HydrophobicContact CG2-CG2 4.45Å; T11-V88 PolarHBondContact N-O 3.46Å; T11-V88 PolarHBondContact OG1-O 2.93Å; I21-V88 HydrophobicContact CD1-CG1 4.07Å; I21-V88 HydrophobicContact CG2-CG1 4.27Å; I21-V88 HydrophobicContact CG2-CG2 4.31Å; L25-V88 HydrophobicContact CD1-CG2 4.38Å; V86-V88 HydrophobicContact CG1-CG2 4.1Å; V88-N90 HydrophobicContact CG1-CB 4.18Å; V88-N90 PolarHBondContact O-N 2.88Å; V88-N90 VanDerWaalsContact O-N 3.08Å; V88-V136 CarbonylContact C-O 3.58Å; V88-V136 WeakPolarHBondContact CA-O 3.48Å; V88-V136 HydrophobicContact CG1-CB 4.35Å; V88-V136 HydrophobicContact CG2-CB 4.3Å; V88-V136 HydrophobicContact CG2-CG2 4.48Å; V88-I138 HydrophobicContact CG1-CD1 4.41Å; V88-I138 HydrophobicContact CG1-CG1 4.45Å; V88-A255 HydrophobicContact CG2-CB 4.3Å
89N98.9Very high94.8Very high5 Ų547.2 Ų47.23%0.02727%0.27CS..EExtended strand (participates in β ladder)trans-79.283.9172.8-69.9-47.4000109.5T11 T118 M121 C122 V136 N137 I138T11-N89 WeakPolarHBondContact OG1-CA 3.42Å; N89-T118 HydrophobicContact CB-CG2 4.05Å; N89-M121 WeakPolarHBondContact OD1-CB 3.39Å; N89-C122 PolarHBondContact ND2-SG 3.31Å; N89-C122 VanDerWaalsContact ND2-SG 3.42Å; N89-V136 PolarHBondContact N-O 2.71Å; N89-N137 WeakPolarHBondContact CB-OD1 3.33Å; N89-N137 PolarHBondContact ND2-OD1 3.38Å; N89-I138 WeakPolarHBondContact O-CB 3.39Å; N89-I138 WeakPolarHBondContact O-CG1 3.48Å; N89-I138 PolarHBondContact O-N 2.91Å
90N98.7Very high94.6Very high19 Ų1945.3 Ų45.310%0.10228%0.275CS..  trans-97.6-25.6179.7160.888000114.4V10 T11 G12 G18 V88 A92 I138V10-N90 HydrophobicContact CG1-CB 4.36Å; T11-N90 WeakPolarHBondContact O-CB 3.47Å; T11-N90 PolarHBondContact O-ND2 2.97Å; T11-N90 PolarHBondContact OG1-N 2.95Å; G12-N90 PolarHBondContact O-ND2 3.31Å; G18-N90 VanDerWaalsContact CA-ND2 3.3Å; G18-N90 WeakPolarHBondContact CA-ND2 3.49Å; G18-N90 PolarHBondContact N-OD1 2.91Å; V88-N90 HydrophobicContact CG1-CB 4.18Å; V88-N90 PolarHBondContact O-N 2.88Å; V88-N90 VanDerWaalsContact O-N 3.08Å; N90-A92 PolarHBondContact O-N 3.48Å; N90-I138 HydrophobicContact CB-CG1 3.74Å
91A96.8Very high94.5Very high18 Ų1844.4 Ų44.415%0.14927%0.271CS..  trans-61.7127.5-174.600000110.9T11 I64T11-A91 PolarHBondContact O-N 3.38Å; T11-A91 PolarHBondContact OG1-N 3.24Å; I64-A91 HydrophobicContact CD1-CB 3.75Å; I64-A91 HydrophobicContact CG1-CB 4.27Å; I64-A91 HydrophobicContact CG2-CB 4.39Å
92A95.6Very high94.4Very high30 Ų3047.7 Ų47.725%0.24829%0.293CS..  trans-157160.5-17900000111N90 N114 M235N90-A92 PolarHBondContact O-N 3.48Å; A92-N114 WeakPolarHBondContact CA-OD1 3.44Å; A92-N114 WeakPolarHBondContact CB-OD1 3.46Å; A92-M235 HydrophobicContact CB-CE 4.4Å; A92-M235 WeakPolarHBondContact O-CE 3.49Å
93V95.1Very high94.4Very high40 Ų4048 Ų4824%0.24228%0.278CS..  trans-124.9152.5171.2-600000110.1T113 N114V93-T113 HydrophobicContact CG1-CG2 4.11Å; V93-T113 HydrophobicContact CG2-CG2 4.38Å; V93-N114 PolarHBondContact N-OD1 2.91Å; V93-N114 PolarHBondContact O-ND2 3.45Å; V93-N114 PolarHBondContact O-OD1 2.91Å
94A92.3Very high94.3Very high37 Ų3750 Ų5031%0.30629%0.289SS..  trans-149.1150.217000000108.1Y194 M235A94-Y194 HydrophobicContact CB-CD2 3.6Å; A94-Y194 HydrophobicContact CB-CE2 3.9Å; A94-Y194 HydrophobicContact CB-CG 4.28Å; A94-M235 HydrophobicContact CB-CE 4.21Å; A94-M235 HydrophobicContact CB-CG 3.81Å; A94-M235 HydrophobicContact CB-SD 3.83Å
95F91.3Very high94.3Very high57 Ų5752.9 Ų52.925%0.2530%0.304CS..  trans-100.1147.6172.8-64.1-90000109.2D99 M101 K106 M109 T110F95-D99 HydrophobicContact CB-CB 4.37Å; F95-M101 HydrophobicContact CD1-SD 4.2Å; F95-M101 HydrophobicContact CE1-CE 3.91Å; F95-M101 HydrophobicContact CE1-SD 3.5Å; F95-M101 WeakPolarHBondContact CE1-SD 3.33Å; F95-M101 HydrophobicContact CZ-CE 4.49Å; F95-M101 HydrophobicContact CZ-SD 3.75Å; F95-K106 HydrophobicContact CB-CD 4.09Å; F95-K106 HydrophobicContact CB-CG 4.19Å; F95-K106 HydrophobicContact CD1-CG 4.21Å; F95-K106 HydrophobicContact CD2-CB 3.91Å; F95-K106 HydrophobicContact CD2-CG 3.83Å; F95-K106 HydrophobicContact CE2-CB 4.18Å; F95-K106 HydrophobicContact CE2-CG 4.24Å; F95-K106 HydrophobicContact CG-CB 4.39Å; F95-K106 HydrophobicContact CG-CD 4.26Å; F95-K106 HydrophobicContact CG-CG 3.81Å; F95-M109 HydrophobicContact CE2-CB 3.96Å; F95-M109 HydrophobicContact CZ-CB 3.87Å; F95-M109 HydrophobicContact CZ-CE 3.93Å; F95-M109 HydrophobicContact CZ-CG 4.46Å; F95-M109 HydrophobicContact CZ-SD 3.81Å; F95-T110 WeakPolarHBondContact CD2-OG1 3.32Å; F95-T110 WeakPolarHBondContact CE2-OG1 3.37Å
96K85.8Confident94.2Very high139 Ų13954 Ų5460%0.60431%0.308SS*.  trans-70.6154.9173.7-62.9-175.5177.5-179.10110.4D98 D99K96-D98 WeakPolarHBondContact CB-OD1 3.45Å; K96-D98 PolarHBondContact O-N 2.83Å; K96-D99 VanDerWaalsContact O-CB 3.23Å; K96-D99 WeakPolarHBondContact O-CB 3.49Å; K96-D99 PolarHBondContact O-N 3.28Å; K96-D99 VanDerWaalsContact O-N 3.13Å
97S79.9Confident94.2Very high134 Ų13454 Ų5494%0.93731%0.308SS*.THydrogen-bonded Turntrans-61.3-29.8179.9-53.10000113.1
98D84.5Confident94.2Very high135 Ų13558 Ų5872%0.72233%0.327SS*.THydrogen-bonded Turntrans-92.73.4179.563.9-24.4000114K96K96-D98 WeakPolarHBondContact CB-OD1 3.45Å; K96-D98 PolarHBondContact O-N 2.83Å
99D89.1Confident94.2Very high53 Ų5362.1 Ų62.128%0.28335%0.347SS..  trans-64.6128.6177-170.2-57.4000110F95 K96 M101 K106F95-D99 HydrophobicContact CB-CB 4.37Å; K96-D99 VanDerWaalsContact O-CB 3.23Å; K96-D99 WeakPolarHBondContact O-CB 3.49Å; K96-D99 PolarHBondContact O-N 3.28Å; K96-D99 VanDerWaalsContact O-N 3.13Å; D99-M101 PolarHBondContact O-N 3.42Å; D99-M101 WeakPolarHBondContact OD1-CB 3.2Å; D99-M101 PolarHBondContact OD1-N 2.96Å; D99-K106 WeakPolarHBondContact O-CE 3.41Å; D99-K106 PolarHBondContact O-NZ 3.46Å
100P92.8Very high94.1Very high131 Ų13162 Ų6285%0.85135%0.347SS*.  trans-76.5-4.6-175.132.2-37000113.9
101M95.3Very high94.1Very high59 Ų5961.1 Ų61.129%0.29134%0.342SS..SBendtrans-60.2138.4-178.7-178178-71.500111.5F95 D99 I105 K106 M109F95-M101 HydrophobicContact CD1-SD 4.2Å; F95-M101 HydrophobicContact CE1-CE 3.91Å; F95-M101 HydrophobicContact CE1-SD 3.5Å; F95-M101 WeakPolarHBondContact CE1-SD 3.33Å; F95-M101 HydrophobicContact CZ-CE 4.49Å; F95-M101 HydrophobicContact CZ-SD 3.75Å; D99-M101 PolarHBondContact O-N 3.42Å; D99-M101 WeakPolarHBondContact OD1-CB 3.2Å; D99-M101 PolarHBondContact OD1-N 2.96Å; M101-I105 HydrophobicContact CE-CG2 4.45Å; M101-I105 HydrophobicContact CG-CB 3.92Å; M101-I105 HydrophobicContact CG-CG2 3.84Å; M101-I105 HydrophobicContact SD-CB 4.19Å; M101-I105 HydrophobicContact SD-CG2 3.57Å; M101-I105 VanDerWaalsContact SD-CG2 3.57Å; M101-K106 HydrophobicContact CB-CG 4.03Å; M101-K106 HydrophobicContact CG-CG 3.94Å; M101-K106 WeakPolarHBondContact O-CE 3.45Å; M101-K106 PolarHBondContact O-NZ 3.01Å; M101-K106 VanDerWaalsContact O-NZ 3.11Å; M101-K106 HydrophobicContact SD-CG 4.02Å; M101-M109 HydrophobicContact CE-SD 4.03Å; M101-M109 HydrophobicContact SD-SD 3.76Å
102P96.9Very high94.2Very high77 Ų7765.8 Ų65.850%0.536%0.359SS..  trans-55148.6175.8-27.836.4000113.2D104 I105 K106P102-D104 WeakPolarHBondContact CB-OD1 3.39Å; P102-D104 PolarHBondContact O-N 3.42Å; P102-I105 HydrophobicContact CB-CG1 4.09Å; P102-I105 HydrophobicContact CG-CG1 4.38Å; P102-I105 PolarHBondContact O-N 3.35Å; P102-K106 WeakPolarHBondContact O-CG 3.23Å; P102-K106 PolarHBondContact O-N 3.23Å
103F96.4Very high94.4Very high62 Ų6265.1 Ų65.127%0.27235%0.352SS..Hα-helixtrans-63.8-40.9-172.5-175.6-98.4000113K106 A107 F175 T179 H184 P193F103-K106 WeakPolarHBondContact O-CB 3.5Å; F103-K106 PolarHBondContact O-N 3.21Å; F103-A107 WeakPolarHBondContact O-CB 3.48Å; F103-A107 PolarHBondContact O-N 3.11Å; F103-F175 HydrophobicContact CE1-CZ 4.38Å; F103-F175 HydrophobicContact CZ-CZ 4.44Å; F103-T179 HydrophobicContact CD1-CG2 3.76Å; F103-T179 HydrophobicContact CE1-CG2 3.42Å; F103-T179 VanDerWaalsContact CE1-CG2 3.42Å; F103-H184 AromaticContact CD1-CE1 3.99Å; F103-H184 AromaticContact CE1-CD2 3.83Å; F103-H184 AromaticContact CE1-CE1 3.75Å; F103-H184 AromaticContact CE1-NE2 3.52Å; F103-H184 AromaticContact CZ-NE2 3.95Å; F103-P193 HydrophobicContact CD2-CG 4.04Å; F103-P193 HydrophobicContact CE1-CG 4.2Å; F103-P193 VanDerWaalsContact CE2-CD 3.42Å; F103-P193 HydrophobicContact CE2-CG 3.53Å; F103-P193 HydrophobicContact CZ-CG 3.6Å
104D97.8Very high94.5Very high43 Ų4363.2 Ų63.223%0.2334%0.34CS..Hα-helixtrans-62.2-43.1176.764.9-51000111.9P102 A107 E108 K180P102-D104 WeakPolarHBondContact CB-OD1 3.39Å; P102-D104 PolarHBondContact O-N 3.42Å; D104-A107 PolarHBondContact O-N 3.23Å; D104-E108 PolarHBondContact O-N 3.46Å; D104-K180 HydrophobicContact CB-CG 4Å
105I97.8Very high94.9Very high62 Ų6261.4 Ų61.432%0.31833%0.326SS..Hα-helixtrans-66.2-43176.3-55.3-58.6000110.5M101 P102 A107 E108 M109M101-I105 HydrophobicContact CE-CG2 4.45Å; M101-I105 HydrophobicContact CG-CB 3.92Å; M101-I105 HydrophobicContact CG-CG2 3.84Å; M101-I105 HydrophobicContact SD-CB 4.19Å; M101-I105 HydrophobicContact SD-CG2 3.57Å; M101-I105 VanDerWaalsContact SD-CG2 3.57Å; P102-I105 HydrophobicContact CB-CG1 4.09Å; P102-I105 HydrophobicContact CG-CG1 4.38Å; P102-I105 PolarHBondContact O-N 3.35Å; I105-A107 VanDerWaalsContact C-N 3.28Å; I105-A107 PolarHBondContact O-N 3.32Å; I105-E108 PolarHBondContact O-N 2.9Å; I105-M109 HydrophobicContact CG2-CG 4.39Å; I105-M109 HydrophobicContact CG2-SD 3.92Å; I105-M109 WeakPolarHBondContact O-CB 3.36Å; I105-M109 VanDerWaalsContact O-CG 3.31Å; I105-M109 WeakPolarHBondContact O-CG 3.41Å; I105-M109 PolarHBondContact O-N 3.35Å
106K97.6Very high95.2Very high33 Ų3360.9 Ų60.914%0.14332%0.323CS..Hα-helixtrans-59-41.6172.7-71.5175.4179.8161.80111.1F95 D99 M101 P102 F103 T110F95-K106 HydrophobicContact CB-CD 4.09Å; F95-K106 HydrophobicContact CB-CG 4.19Å; F95-K106 HydrophobicContact CD1-CG 4.21Å; F95-K106 HydrophobicContact CD2-CB 3.91Å; F95-K106 HydrophobicContact CD2-CG 3.83Å; F95-K106 HydrophobicContact CE2-CB 4.18Å; F95-K106 HydrophobicContact CE2-CG 4.24Å; F95-K106 HydrophobicContact CG-CB 4.39Å; F95-K106 HydrophobicContact CG-CD 4.26Å; F95-K106 HydrophobicContact CG-CG 3.81Å; D99-K106 WeakPolarHBondContact O-CE 3.41Å; D99-K106 PolarHBondContact O-NZ 3.46Å; M101-K106 HydrophobicContact CB-CG 4.03Å; M101-K106 HydrophobicContact CG-CG 3.94Å; M101-K106 WeakPolarHBondContact O-CE 3.45Å; M101-K106 PolarHBondContact O-NZ 3.01Å; M101-K106 VanDerWaalsContact O-NZ 3.11Å; M101-K106 HydrophobicContact SD-CG 4.02Å; P102-K106 WeakPolarHBondContact O-CG 3.23Å; P102-K106 PolarHBondContact O-N 3.23Å; F103-K106 WeakPolarHBondContact O-CB 3.5Å; F103-K106 PolarHBondContact O-N 3.21Å; K106-T110 WeakPolarHBondContact O-CB 3.38Å; K106-T110 PolarHBondContact O-N 3.49Å; K106-T110 PolarHBondContact O-OG1 2.92Å
107A98.1Very high95.8Very high0 Ų054.3 Ų54.30%030%0.295CS..Hα-helixtrans-65.4-49.1179.600000112.5F103 D104 I105 M109 T110 L111 F175 T179 P193F103-A107 WeakPolarHBondContact O-CB 3.48Å; F103-A107 PolarHBondContact O-N 3.11Å; D104-A107 PolarHBondContact O-N 3.23Å; I105-A107 VanDerWaalsContact C-N 3.28Å; I105-A107 PolarHBondContact O-N 3.32Å; A107-M109 PolarHBondContact O-N 2.85Å; A107-T110 PolarHBondContact O-N 3.44Å; A107-L111 WeakPolarHBondContact O-CB 3.27Å; A107-L111 WeakPolarHBondContact O-CD1 3.12Å; A107-L111 PolarHBondContact O-N 2.82Å; A107-F175 HydrophobicContact CB-CE1 3.86Å; A107-F175 HydrophobicContact CB-CZ 4.32Å; A107-T179 HydrophobicContact CB-CG2 4.04Å; A107-P193 HydrophobicContact CB-CB 3.8Å; A107-P193 HydrophobicContact CB-CG 4.05Å
108E98.4Very high96.7Very high84 Ų8448.2 Ų48.239%0.39325%0.252SS..Hα-helixtrans-58.1-50.9176.6178.8163.5-158.600111.6D104 I105 T110 K112 V176 K180D104-E108 PolarHBondContact O-N 3.46Å; I105-E108 PolarHBondContact O-N 2.9Å; E108-T110 PolarHBondContact O-N 3.01Å; E108-K112 WeakPolarHBondContact O-CB 3.48Å; E108-K112 PolarHBondContact O-N 2.83Å; E108-V176 HydrophobicContact CB-CG1 3.9Å; E108-V176 HydrophobicContact CG-CG1 4.39Å; E108-K180 VanDerWaalsContact CD-NZ 3.28Å; E108-K180 IonicContact OE1-NZ 3.79Å; E108-K180 PolarHBondContact OE1-NZ 3.36Å; E108-K180 WeakPolarHBondContact OE2-CE 3.49Å; E108-K180 IonicContact OE2-NZ 2.71Å; E108-K180 PolarHBondContact OE2-NZ 3.19Å
109M98.3Very high97.4Very high86 Ų8644.7 Ų44.742%0.42423%0.229SC..Hα-helixtrans-64.1-42.3-179.5-69.3-179.370.700112.2F95 M101 I105 A107 T113F95-M109 HydrophobicContact CE2-CB 3.96Å; F95-M109 HydrophobicContact CZ-CB 3.87Å; F95-M109 HydrophobicContact CZ-CE 3.93Å; F95-M109 HydrophobicContact CZ-CG 4.46Å; F95-M109 HydrophobicContact CZ-SD 3.81Å; M101-M109 HydrophobicContact CE-SD 4.03Å; M101-M109 HydrophobicContact SD-SD 3.76Å; I105-M109 HydrophobicContact CG2-CG 4.39Å; I105-M109 HydrophobicContact CG2-SD 3.92Å; I105-M109 WeakPolarHBondContact O-CB 3.36Å; I105-M109 VanDerWaalsContact O-CG 3.31Å; I105-M109 WeakPolarHBondContact O-CG 3.41Å; I105-M109 PolarHBondContact O-N 3.35Å; A107-M109 PolarHBondContact O-N 2.85Å; M109-T113 PolarHBondContact O-N 3.4Å
110T98.4Very high97.9Very high3 Ų344.5 Ų44.52%0.01823%0.227CC..Hα-helixtrans-68.7-45.2-178.1-56.10000111.5F95 K106 A107 E108 N114 Y194F95-T110 WeakPolarHBondContact CD2-OG1 3.32Å; F95-T110 WeakPolarHBondContact CE2-OG1 3.37Å; K106-T110 WeakPolarHBondContact O-CB 3.38Å; K106-T110 PolarHBondContact O-N 3.49Å; K106-T110 PolarHBondContact O-OG1 2.92Å; A107-T110 PolarHBondContact O-N 3.44Å; E108-T110 PolarHBondContact O-N 3.01Å; T110-N114 VanDerWaalsContact CG2-ND2 3.35Å; T110-N114 WeakPolarHBondContact CG2-ND2 3.18Å; T110-N114 WeakPolarHBondContact O-CB 3.38Å; T110-N114 PolarHBondContact O-N 2.91Å; T110-Y194 HydrophobicContact CG2-CD2 4.45Å
111L98.6Very high98.2Very high0 Ų038.2 Ų38.20%019%0.187CC..Hα-helixtrans-71-34.4179.8-90.973000112.2A107 T113 F115 F116 M172 F175 V176A107-L111 WeakPolarHBondContact O-CB 3.27Å; A107-L111 WeakPolarHBondContact O-CD1 3.12Å; A107-L111 PolarHBondContact O-N 2.82Å; L111-T113 PolarHBondContact O-N 3.42Å; L111-F115 WeakPolarHBondContact O-CB 3.48Å; L111-F115 PolarHBondContact O-N 2.82Å; L111-F116 HydrophobicContact CB-CD2 4.4Å; L111-F116 HydrophobicContact CB-CE2 4.2Å; L111-F116 WeakPolarHBondContact O-CD2 3.43Å; L111-F116 PolarHBondContact O-N 2.85Å; L111-M172 HydrophobicContact CD2-CB 4.07Å; L111-M172 VanDerWaalsContact CD2-O 3.3Å; L111-M172 WeakPolarHBondContact CD2-O 3.1Å; L111-M172 HydrophobicContact CD2-SD 4.2Å; L111-F175 HydrophobicContact CD1-CD1 3.89Å; L111-F175 HydrophobicContact CD1-CE1 3.8Å; L111-F175 HydrophobicContact CD2-CD1 3.7Å; L111-F175 HydrophobicContact CD2-CE1 4.46Å; L111-F175 HydrophobicContact CG-CD1 4.48Å; L111-V176 HydrophobicContact CB-CG2 4.12Å; L111-V176 HydrophobicContact CD2-CG2 3.69Å; L111-V176 HydrophobicContact CG-CG2 4.42Å
112K98.8Very high98.3Very high117 Ų11735.4 Ų35.451%0.50917%0.173SC..Iπ-helixtrans-51.3-56173.4-178.1-177.9176.6-175.20110.8E108 F116 A117E108-K112 WeakPolarHBondContact O-CB 3.48Å; E108-K112 PolarHBondContact O-N 2.83Å; K112-F116 WeakPolarHBondContact O-CB 3.27Å; K112-F116 PolarHBondContact O-N 3.3Å; K112-A117 WeakPolarHBondContact O-CB 3.31Å; K112-A117 PolarHBondContact O-N 2.97Å
113T98.6Very high98.4Very high15 Ų1534 Ų349%0.09216%0.161CC..Iπ-helixtrans-79.3-49.3-177.2-50.20000112.7I64 D65 V93 M109 L111 A117I64-T113 HydrophobicContact CD1-CG2 3.86Å; I64-T113 HydrophobicContact CG1-CG2 4.2Å; D65-T113 VanDerWaalsContact OD1-CA 3.23Å; D65-T113 WeakPolarHBondContact OD1-CA 3.46Å; D65-T113 PolarHBondContact OD1-OG1 2.71Å; D65-T113 PolarHBondContact OD2-OG1 2.8Å; V93-T113 HydrophobicContact CG1-CG2 4.11Å; V93-T113 HydrophobicContact CG2-CG2 4.38Å; M109-T113 PolarHBondContact O-N 3.4Å; L111-T113 PolarHBondContact O-N 3.42Å; T113-A117 WeakPolarHBondContact O-CB 3.45Å
114N98.8Very high98.5Very high0 Ų032.4 Ų32.40%016%0.155CC..Iπ-helixtrans-74-37.1-169.7-67.5-2.6000112.4A92 V93 T110 T118 S197 V201A92-N114 WeakPolarHBondContact CA-OD1 3.44Å; A92-N114 WeakPolarHBondContact CB-OD1 3.46Å; V93-N114 PolarHBondContact N-OD1 2.91Å; V93-N114 PolarHBondContact O-ND2 3.45Å; V93-N114 PolarHBondContact O-OD1 2.91Å; T110-N114 VanDerWaalsContact CG2-ND2 3.35Å; T110-N114 WeakPolarHBondContact CG2-ND2 3.18Å; T110-N114 WeakPolarHBondContact O-CB 3.38Å; T110-N114 PolarHBondContact O-N 2.91Å; N114-T118 VanDerWaalsContact O-CB 3.27Å; N114-T118 WeakPolarHBondContact O-CB 3.34Å; N114-T118 PolarHBondContact O-OG1 2.81Å; N114-S197 WeakPolarHBondContact CB-OG 3.32Å; N114-S197 PolarHBondContact ND2-OG 2.8Å; N114-V201 WeakPolarHBondContact O-CG2 3.28Å
115F98.9Very high98.6Very high0 Ų030.3 Ų30.30%014%0.144CC..Iπ-helixtrans-103.6-62-176.1176-102.5000112.2L111 A117 T118 R119 L168 V169 M172 L204L111-F115 WeakPolarHBondContact O-CB 3.48Å; L111-F115 PolarHBondContact O-N 2.82Å; F115-A117 PolarHBondContact O-N 3.36Å; F115-T118 PolarHBondContact O-N 3.34Å; F115-R119 WeakPolarHBondContact O-CB 3.26Å; F115-R119 PolarHBondContact O-N 2.73Å; F115-L168 HydrophobicContact CE2-CD2 3.78Å; F115-L168 HydrophobicContact CE2-CG 4.01Å; F115-L168 HydrophobicContact CZ-CD2 4.02Å; F115-L168 HydrophobicContact CZ-CG 3.86Å; F115-V169 HydrophobicContact CE1-CG2 4.18Å; F115-V169 HydrophobicContact CZ-CG2 4.26Å; F115-M172 HydrophobicContact CD1-CB 3.74Å; F115-M172 HydrophobicContact CD1-CG 3.64Å; F115-M172 HydrophobicContact CD2-CG 4.12Å; F115-M172 HydrophobicContact CE1-CB 3.62Å; F115-M172 HydrophobicContact CE1-CG 3.46Å; F115-M172 VanDerWaalsContact CE1-CG 3.46Å; F115-M172 HydrophobicContact CE2-CG 3.94Å; F115-M172 HydrophobicContact CG-CB 4.47Å; F115-M172 HydrophobicContact CG-CG 3.97Å; F115-M172 HydrophobicContact CZ-CB 4.27Å; F115-M172 HydrophobicContact CZ-CG 3.62Å; F115-L204 HydrophobicContact CE2-CB 4.25Å; F115-L204 HydrophobicContact CE2-CD2 4.45Å
116F98.9Very high98.6Very high45 Ų4527.8 Ų27.820%0.19713%0.13CC..Iπ-helixtrans-67.1-42.5-170.9-67.9-69.5000112.5L111 K112 R119 N120 V169 M172 K173L111-F116 HydrophobicContact CB-CD2 4.4Å; L111-F116 HydrophobicContact CB-CE2 4.2Å; L111-F116 WeakPolarHBondContact O-CD2 3.43Å; L111-F116 PolarHBondContact O-N 2.85Å; K112-F116 WeakPolarHBondContact O-CB 3.27Å; K112-F116 PolarHBondContact O-N 3.3Å; F116-R119 WeakPolarHBondContact O-CB 3.48Å; F116-R119 PolarHBondContact O-N 2.98Å; F116-N120 VanDerWaalsContact O-CG 3.23Å; F116-N120 PolarHBondContact O-N 3.42Å; F116-N120 PolarHBondContact O-ND2 3Å; F116-N120 PolarHBondContact O-OD1 2.71Å; F116-V169 HydrophobicContact CE1-CG1 4.24Å; F116-M172 HydrophobicContact CZ-CB 4.04Å; F116-K173 HydrophobicContact CE1-CG 4.21Å; F116-K173 HydrophobicContact CZ-CG 3.77Å
117A98.8Very high98.7Very high2 Ų230.6 Ų30.62%0.01715%0.152CC..Iπ-helixtrans-67.8-42.6175.800000112.7I64 D65 K112 T113 F115 R119 N120 M121I64-A117 HydrophobicContact CB-CB 3.95Å; I64-A117 HydrophobicContact CD1-CB 3.73Å; I64-A117 HydrophobicContact CG1-CB 3.72Å; I64-A117 WeakPolarHBondContact O-CB 3.49Å; D65-A117 WeakPolarHBondContact OD1-CB 3.42Å; K112-A117 WeakPolarHBondContact O-CB 3.31Å; K112-A117 PolarHBondContact O-N 2.97Å; T113-A117 WeakPolarHBondContact O-CB 3.45Å; F115-A117 PolarHBondContact O-N 3.36Å; A117-R119 VanDerWaalsContact C-N 3.28Å; A117-R119 PolarHBondContact O-N 2.63Å; A117-N120 WeakPolarHBondContact O-CB 3.43Å; A117-N120 PolarHBondContact O-N 2.98Å; A117-N120 VanDerWaalsContact O-N 3.09Å; A117-M121 WeakPolarHBondContact O-CG 3.12Å; A117-M121 PolarHBondContact O-N 3.04Å
118T98.9Very high98.7Very high6 Ų631.6 Ų31.64%0.03716%0.157CC..Hα-helixtrans-57.4-41.3170.9-59.90000111.9N89 N114 F115 M121 C122N89-T118 HydrophobicContact CB-CG2 4.05Å; N114-T118 VanDerWaalsContact O-CB 3.27Å; N114-T118 WeakPolarHBondContact O-CB 3.34Å; N114-T118 PolarHBondContact O-OG1 2.81Å; F115-T118 PolarHBondContact O-N 3.34Å; T118-M121 WeakPolarHBondContact O-CB 3.38Å; T118-M121 PolarHBondContact O-N 2.93Å; T118-C122 PolarHBondContact O-N 3.38Å; T118-C122 PolarHBondContact O-SG 3Å
119R98.8Very high98.7Very high61 Ų6127.7 Ų27.723%0.2314%0.139CC..Hα-helixtrans-61.2-44.4173.7177.3-173.7170.1-90.9-6.3111.7F115 F116 A117 M121 C122 N123 E165 L204F115-R119 WeakPolarHBondContact O-CB 3.26Å; F115-R119 PolarHBondContact O-N 2.73Å; F116-R119 WeakPolarHBondContact O-CB 3.48Å; F116-R119 PolarHBondContact O-N 2.98Å; A117-R119 VanDerWaalsContact C-N 3.28Å; A117-R119 PolarHBondContact O-N 2.63Å; R119-M121 VanDerWaalsContact C-N 3.35Å; R119-C122 PolarHBondContact O-N 3.07Å; R119-N123 PolarHBondContact NH2-ND2 3Å; R119-N123 WeakPolarHBondContact O-CB 3.46Å; R119-N123 PolarHBondContact O-N 3.01Å; R119-E165 IonicContact CZ-OE1 2.79Å; R119-E165 IonicContact NE-OE1 3.7Å; R119-E165 PolarHBondContact NE-OE1 3.33Å; R119-E165 IonicContact NH2-OE1 3.12Å; R119-E165 PolarHBondContact NH2-OE1 3.32Å; R119-L204 HydrophobicContact CB-CD2 3.86Å; R119-L204 HydrophobicContact CG-CD2 4.38Å
120N98.8Very high98.7Very high48 Ų4825.8 Ų25.826%0.25713%0.129SC..Hα-helixtrans-62.8-41.6177.4-68.1-19.3000111.7L67 I70 F116 A117 C122 N123 E124L67-N120 HydrophobicContact CD1-CB 4.38Å; I70-N120 HydrophobicContact CD1-CB 3.74Å; F116-N120 VanDerWaalsContact O-CG 3.23Å; F116-N120 PolarHBondContact O-N 3.42Å; F116-N120 PolarHBondContact O-ND2 3Å; F116-N120 PolarHBondContact O-OD1 2.71Å; A117-N120 WeakPolarHBondContact O-CB 3.43Å; A117-N120 PolarHBondContact O-N 2.98Å; A117-N120 VanDerWaalsContact O-N 3.09Å; N120-C122 PolarHBondContact O-N 2.94Å; N120-N123 PolarHBondContact O-N 3.4Å; N120-E124 WeakPolarHBondContact O-CB 3.34Å; N120-E124 WeakPolarHBondContact O-CG 3.44Å; N120-E124 PolarHBondContact O-N 3.16Å
121M98.8Very high98.6Very high0 Ų028.7 Ų28.70%015%0.147CC..Hα-helixtrans-55.5-50.1172-72.9-61.8-61.800111.5T11 L62 I64 I70 L73 L87 N89 A117 T118 R119 N123 E124 L125T11-M121 HydrophobicContact CG2-CE 3.79Å; L62-M121 HydrophobicContact CD1-CE 4.44Å; L62-M121 HydrophobicContact CD1-SD 4.01Å; L62-M121 HydrophobicContact CD2-CE 3.66Å; L62-M121 HydrophobicContact CD2-SD 4.02Å; L62-M121 HydrophobicContact CG-SD 4.5Å; I64-M121 HydrophobicContact CB-CG 4.1Å; I64-M121 HydrophobicContact CB-SD 4.43Å; I64-M121 HydrophobicContact CG2-CG 3.76Å; I64-M121 HydrophobicContact CG2-SD 3.82Å; I70-M121 HydrophobicContact CB-SD 4.17Å; I70-M121 HydrophobicContact CD1-CG 4.15Å; I70-M121 HydrophobicContact CD1-SD 3.78Å; I70-M121 HydrophobicContact CG1-SD 3.57Å; I70-M121 VanDerWaalsContact CG1-SD 3.57Å; I70-M121 HydrophobicContact CG2-SD 3.69Å; L73-M121 HydrophobicContact CD2-CE 4.28Å; L87-M121 HydrophobicContact CD1-CE 4.42Å; N89-M121 WeakPolarHBondContact OD1-CB 3.39Å; A117-M121 WeakPolarHBondContact O-CG 3.12Å; A117-M121 PolarHBondContact O-N 3.04Å; T118-M121 WeakPolarHBondContact O-CB 3.38Å; T118-M121 PolarHBondContact O-N 2.93Å; R119-M121 VanDerWaalsContact C-N 3.35Å; M121-N123 PolarHBondContact O-N 2.68Å; M121-E124 PolarHBondContact O-N 3.17Å; M121-L125 HydrophobicContact CE-CD1 3.45Å; M121-L125 VanDerWaalsContact CE-CD1 3.45Å; M121-L125 HydrophobicContact CE-CG 4.36Å; M121-L125 VanDerWaalsContact O-CB 3.28Å; M121-L125 WeakPolarHBondContact O-CB 3.37Å; M121-L125 WeakPolarHBondContact O-CG 3.45Å; M121-L125 PolarHBondContact O-N 3.45Å
122C98.8Very high98.6Very high0 Ų032.1 Ų32.10%016%0.163CC..Hα-helixtrans-61-44.3176.9-72.20000112N89 T118 R119 N120 E124 L126 L208N89-C122 PolarHBondContact ND2-SG 3.31Å; N89-C122 VanDerWaalsContact ND2-SG 3.42Å; T118-C122 PolarHBondContact O-N 3.38Å; T118-C122 PolarHBondContact O-SG 3Å; R119-C122 PolarHBondContact O-N 3.07Å; N120-C122 PolarHBondContact O-N 2.94Å; C122-E124 PolarHBondContact O-N 2.79Å; C122-L126 HydrophobicContact CB-CD1 3.98Å; C122-L126 HydrophobicContact CB-CG 4.32Å; C122-L126 WeakPolarHBondContact O-CB 3.31Å; C122-L126 WeakPolarHBondContact O-CD1 3.45Å; C122-L126 WeakPolarHBondContact O-CG 3.41Å; C122-L126 PolarHBondContact O-N 3.37Å; C122-L208 HydrophobicContact CB-CD1 3.79Å
123N98.6Very high98.6Very high46 Ų4626.6 Ų26.625%0.24614%0.139CC..Hα-helixtrans-67.4-34.8-177.7-75.9-17.3000113.1R119 N120 M121 P127 E165R119-N123 PolarHBondContact NH2-ND2 3Å; R119-N123 WeakPolarHBondContact O-CB 3.46Å; R119-N123 PolarHBondContact O-N 3.01Å; N120-N123 PolarHBondContact O-N 3.4Å; M121-N123 PolarHBondContact O-N 2.68Å; N123-P127 VanDerWaalsContact O-CD 3.27Å; N123-P127 WeakPolarHBondContact O-CD 3.44Å; N123-P127 WeakPolarHBondContact O-CG 3.29Å; N123-E165 PolarHBondContact ND2-OE1 2.85Å
124E98.8Very high98.6Very high29 Ų2926.1 Ų26.114%0.13614%0.136CC..Hα-helixtrans-82.7-31.8178.3-68.3-71.1-179.500112.8L67 I70 R71 R74 N120 M121 C122L67-E124 HydrophobicContact CD1-CG 4.1Å; I70-E124 HydrophobicContact CG2-CB 3.63Å; I70-E124 HydrophobicContact CG2-CG 3.84Å; R71-E124 IonicContact CZ-OE1 3.67Å; R71-E124 IonicContact NE-OE1 3.68Å; R71-E124 PolarHBondContact NE-OE1 3.48Å; R71-E124 IonicContact NH2-OE1 3.17Å; R71-E124 PolarHBondContact NH2-OE1 2.87Å; R74-E124 WeakPolarHBondContact CD-O 3.33Å; R74-E124 IonicContact CZ-OE2 2.95Å; R74-E124 IonicContact NE-OE2 3.61Å; R74-E124 IonicContact NH1-OE2 3.93Å; R74-E124 PolarHBondContact NH1-OE2 3.1Å; N120-E124 WeakPolarHBondContact O-CB 3.34Å; N120-E124 WeakPolarHBondContact O-CG 3.44Å; N120-E124 PolarHBondContact O-N 3.16Å; M121-E124 PolarHBondContact O-N 3.17Å; C122-E124 PolarHBondContact O-N 2.79Å
125L98.8Very high98.6Very high0 Ų026.2 Ų26.20%014%0.136CC..Hα-helixtrans-101.2-28.7-173.4-59-171.8000115.1R74 L77 L84 L87 M121 P127 I128 M129R74-L125 HydrophobicContact CB-CD2 3.75Å; R74-L125 HydrophobicContact CG-CD2 4.09Å; L77-L125 HydrophobicContact CD1-CD2 4.09Å; L84-L125 HydrophobicContact CD2-CB 4.42Å; L84-L125 HydrophobicContact CD2-CD1 4.1Å; L87-L125 HydrophobicContact CD1-CD1 3.85Å; L87-L125 HydrophobicContact CD2-CB 4.09Å; L87-L125 HydrophobicContact CD2-CD1 4.08Å; M121-L125 HydrophobicContact CE-CD1 3.45Å; M121-L125 VanDerWaalsContact CE-CD1 3.45Å; M121-L125 HydrophobicContact CE-CG 4.36Å; M121-L125 VanDerWaalsContact O-CB 3.28Å; M121-L125 WeakPolarHBondContact O-CB 3.37Å; M121-L125 WeakPolarHBondContact O-CG 3.45Å; M121-L125 PolarHBondContact O-N 3.45Å; L125-P127 VanDerWaalsContact C-CD 3.43Å; L125-P127 VanDerWaalsContact C-N 3.34Å; L125-I128 HydrophobicContact CD2-CD1 4.04Å; L125-I128 HydrophobicContact CD2-CG1 4.5Å; L125-I128 WeakPolarHBondContact O-CG1 3.18Å; L125-I128 PolarHBondContact O-N 2.91Å; L125-M129 PolarHBondContact O-N 3.39Å
126L98.4Very high98.6Very high8 Ų826.3 Ų26.34%0.04214%0.137CC..G310 helixtrans-57.1-38.8176.2-74.4174.3000113.9C122 I128 M129 V135 L208 R216 V223C122-L126 HydrophobicContact CB-CD1 3.98Å; C122-L126 HydrophobicContact CB-CG 4.32Å; C122-L126 WeakPolarHBondContact O-CB 3.31Å; C122-L126 WeakPolarHBondContact O-CD1 3.45Å; C122-L126 WeakPolarHBondContact O-CG 3.41Å; C122-L126 PolarHBondContact O-N 3.37Å; L126-I128 PolarHBondContact O-N 3.47Å; L126-M129 HydrophobicContact CD2-CG 4.18Å; L126-M129 PolarHBondContact O-N 3.5Å; L126-V135 HydrophobicContact CD2-CG2 3.8Å; L126-L208 HydrophobicContact CD1-CB 4.46Å; L126-L208 HydrophobicContact CD1-CD1 4.04Å; L126-L208 HydrophobicContact CD1-CD2 3.59Å; L126-L208 HydrophobicContact CD1-CG 4.22Å; L126-R216 PolarHBondContact O-NH1 2.85Å; L126-V223 HydrophobicContact CD2-CG2 4.5Å
127P98.6Very high98.6Very high92 Ų9224.1 Ų24.160%0.59713%0.127SC*.G310 helixtrans-61-24.1176.8-25.736.5000114N123 L125N123-P127 VanDerWaalsContact O-CD 3.27Å; N123-P127 WeakPolarHBondContact O-CD 3.44Å; N123-P127 WeakPolarHBondContact O-CG 3.29Å; L125-P127 VanDerWaalsContact C-CD 3.43Å; L125-P127 VanDerWaalsContact C-N 3.34Å
128I98.5Very high98.6Very high21 Ų2124.6 Ų24.611%0.10813%0.129CC..G310 helixtrans-103.52.4-179.170.3161.5000113.3R74 L77 R78 G83 L84 L125 L126 K130R74-I128 HydrophobicContact CG-CD1 4.02Å; R74-I128 HydrophobicContact CG-CG2 4.47Å; L77-I128 HydrophobicContact CB-CD1 3.91Å; L77-I128 HydrophobicContact CD1-CD1 4.2Å; R78-I128 HydrophobicContact CG-CB 4.34Å; R78-I128 HydrophobicContact CG-CD1 4.11Å; R78-I128 HydrophobicContact CG-CG2 3.75Å; G83-I128 CarbonylContact C-O 3.55Å; G83-I128 WeakPolarHBondContact CA-O 3.38Å; L84-I128 PolarHBondContact N-O 3.37Å; L125-I128 HydrophobicContact CD2-CD1 4.04Å; L125-I128 HydrophobicContact CD2-CG1 4.5Å; L125-I128 WeakPolarHBondContact O-CG1 3.18Å; L125-I128 PolarHBondContact O-N 2.91Å; L126-I128 PolarHBondContact O-N 3.47Å; I128-K130 PolarHBondContact O-N 2.98Å
129M98.6Very high98.6Very high2 Ų224.3 Ų24.31%0.0113%0.128CC..EExtended strand (participates in β ladder)trans-63130.4172.7-69.9-61.5-63.600109.7L84 N85 L87 L125 L126 V135 R216 I221L84-M129 HydrophobicContact CB-SD 3.7Å; L84-M129 HydrophobicContact CD2-SD 3.68Å; L84-M129 HydrophobicContact CG-CE 4.47Å; L84-M129 HydrophobicContact CG-SD 3.6Å; L84-M129 VanDerWaalsContact CG-SD 3.6Å; L84-M129 CarbonylContact O-C 3.57Å; L84-M129 WeakPolarHBondContact O-CA 3.35Å; N85-M129 VanDerWaalsContact O-CE 3.31Å; N85-M129 WeakPolarHBondContact O-CE 3.19Å; L87-M129 HydrophobicContact CB-SD 4.31Å; L125-M129 PolarHBondContact O-N 3.39Å; L126-M129 HydrophobicContact CD2-CG 4.18Å; L126-M129 PolarHBondContact O-N 3.5Å; M129-V135 HydrophobicContact CE-CG2 3.9Å; M129-V135 HydrophobicContact CG-CG2 4.37Å; M129-V135 HydrophobicContact SD-CG2 4.33Å; M129-R216 PolarHBondContact O-NH1 3.2Å; M129-R216 PolarHBondContact O-NH2 3.4Å; M129-I221 HydrophobicContact CB-CD1 3.85Å
130K98.3Very high98.5Very high47 Ų4722.2 Ų22.220%0.20412%0.122CC..EExtended strand (participates in β ladder)trans-77.2161.2176.3-66.5-179179.6175.70110.8Y81 L84 I128 G133Y81-K130 VanDerWaalsContact O-CE 3.22Å; Y81-K130 WeakPolarHBondContact O-CE 3.12Å; Y81-K130 PolarHBondContact O-NZ 3.29Å; L84-K130 PolarHBondContact O-N 2.92Å; I128-K130 PolarHBondContact O-N 2.98Å; K130-G133 WeakPolarHBondContact O-CA 3.3Å; K130-G133 PolarHBondContact O-N 3.18Å; K130-G133 VanDerWaalsContact O-N 3.1Å
131P97.8Very high98.4Very high64 Ų6422.4 Ų22.442%0.41612%0.123SC..EExtended strand (participates in β ladder)trans-52.4149.1168.6-26.435.4000112.4G133 D219P131-G133 PolarHBondContact O-N 3.22Å; P131-D219 CarbonylContact C-O 3.57Å; P131-D219 WeakPolarHBondContact CA-O 3.34Å; P131-D219 HydrophobicContact CB-CB 4.32Å; P131-D219 HydrophobicContact CG-CB 4.4Å
132H98Very high98.3Very high72 Ų7225.5 Ų25.533%0.33314%0.138SC..EExtended strand (participates in β ladder)trans57.926.2-170.8-47.6-83.7000112.9R134 D219 R220 P259H132-R134 VanDerWaalsContact CA-NH1 3.32Å; H132-R134 WeakPolarHBondContact O-CD 3.43Å; H132-R134 PolarHBondContact O-NH1 3.33Å; H132-D219 PolarHBondContact N-O 3.15Å; H132-R220 WeakPolarHBondContact CA-O 3.42Å; H132-P259 HydrophobicContact CB-CB 4.26Å; H132-P259 PolarHBondContact ND1-O 2.8Å
133G98.4Very high98.2Very high0 Ų025.5 Ų25.50%014%0.138CC..EExtended strand (participates in β ladder)trans-72.4149.4177.800000113N85 K130 P131 I221 L222N85-G133 CarbonylContact O-C 3.57Å; N85-G133 WeakPolarHBondContact O-CA 3.28Å; K130-G133 WeakPolarHBondContact O-CA 3.3Å; K130-G133 PolarHBondContact O-N 3.18Å; K130-G133 VanDerWaalsContact O-N 3.1Å; P131-G133 PolarHBondContact O-N 3.22Å; G133-I221 VanDerWaalsContact O-CA 3.26Å; G133-I221 WeakPolarHBondContact O-CA 3.29Å; G133-L222 PolarHBondContact O-N 3.09Å
134R98.9Very high98.1Very high6 Ų624.9 Ų24.92%0.02313%0.134CC..EExtended strand (participates in β ladder)trans-120134.2174.7-84.669.9-172.8149.213.6110.1N85 V86 L87 H132 L222 L254 L257 P258N85-R134 PolarHBondContact O-N 3.46Å; V86-R134 CarbonylContact C-O 3.45Å; V86-R134 VanDerWaalsContact CA-O 3.28Å; V86-R134 WeakPolarHBondContact CA-O 3.3Å; V86-R134 HydrophobicContact CG2-CB 4.42Å; L87-R134 PolarHBondContact N-O 3.27Å; H132-R134 VanDerWaalsContact CA-NH1 3.32Å; H132-R134 WeakPolarHBondContact O-CD 3.43Å; H132-R134 PolarHBondContact O-NH1 3.33Å; R134-L222 CarbonylContact C-O 3.58Å; R134-L222 WeakPolarHBondContact CA-O 3.35Å; R134-L254 VanDerWaalsContact CG-O 3.28Å; R134-L254 WeakPolarHBondContact CG-O 3.25Å; R134-L257 HydrophobicContact CG-CB 4.32Å; R134-L257 VanDerWaalsContact CZ-O 3.31Å; R134-L257 PolarHBondContact NE-O 3.34Å; R134-P258 PolarHBondContact NH2-O 3.47Å
135V98.9Very high97.9Very high2 Ų230.9 Ų30.91%0.01216%0.155CC..EExtended strand (participates in β ladder)trans-123.7125.3174.6-175.50000108.7L87 L126 M129 I221 L222 V223 N224L87-V135 HydrophobicContact CB-CG1 4.27Å; L87-V135 HydrophobicContact CB-CG2 4.33Å; L87-V135 HydrophobicContact CD2-CG1 4.14Å; L87-V135 HydrophobicContact CG-CG1 4.31Å; L87-V135 CarbonylContact O-C 3.5Å; L87-V135 WeakPolarHBondContact O-CA 3.3Å; L126-V135 HydrophobicContact CD2-CG2 3.8Å; M129-V135 HydrophobicContact CE-CG2 3.9Å; M129-V135 HydrophobicContact CG-CG2 4.37Å; M129-V135 HydrophobicContact SD-CG2 4.33Å; V135-I221 HydrophobicContact CG2-CG2 4.49Å; V135-L222 PolarHBondContact N-O 3.24Å; V135-V223 HydrophobicContact CB-CB 4.29Å; V135-V223 HydrophobicContact CB-CG1 4.13Å; V135-V223 HydrophobicContact CB-CG2 3.89Å; V135-V223 HydrophobicContact CG1-CG1 4.19Å; V135-V223 HydrophobicContact CG2-CG2 4.1Å; V135-V223 WeakPolarHBondContact O-CA 3.13Å; V135-N224 PolarHBondContact O-N 3.16Å
136V98.9Very high97.8Very high1 Ų131 Ų311%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-119.9116.2-178.2-173.90000108.1L87 V88 N89 I138 P251 L254 A255L87-V136 PolarHBondContact O-N 2.97Å; V88-V136 CarbonylContact C-O 3.58Å; V88-V136 WeakPolarHBondContact CA-O 3.48Å; V88-V136 HydrophobicContact CG1-CB 4.35Å; V88-V136 HydrophobicContact CG2-CB 4.3Å; V88-V136 HydrophobicContact CG2-CG2 4.48Å; N89-V136 PolarHBondContact N-O 2.71Å; V136-I138 HydrophobicContact CG1-CD1 4.07Å; V136-P251 HydrophobicContact CG1-CB 4.32Å; V136-L254 HydrophobicContact CG1-CB 4.28Å; V136-L254 HydrophobicContact CG1-CD1 4.15Å; V136-L254 HydrophobicContact CG2-CB 3.67Å; V136-A255 HydrophobicContact CG2-CB 4.07Å
137N98.9Very high97.8Very high0 Ų030.8 Ų30.80%016%0.155CC..EExtended strand (participates in β ladder)trans-101.6115.3175.1-65.6-31.1000109N89 S139 V201 S205 N224 A225 C226N89-N137 WeakPolarHBondContact CB-OD1 3.33Å; N89-N137 PolarHBondContact ND2-OD1 3.38Å; N137-S139 PolarHBondContact O-N 2.77Å; N137-V201 HydrophobicContact CB-CG1 3.85Å; N137-S205 WeakPolarHBondContact CB-OG 3.47Å; N137-S205 PolarHBondContact ND2-OG 2.79Å; N137-N224 PolarHBondContact N-O 2.92Å; N137-A225 CarbonylContact O-C 3.58Å; N137-A225 VanDerWaalsContact O-CA 3.25Å; N137-A225 WeakPolarHBondContact O-CA 3.41Å; N137-C226 PolarHBondContact O-N 3.3Å
138I98.8Very high97.7Very high11 Ų1132.6 Ų32.66%0.05616%0.156CC..EExtended strand (participates in β ladder)trans-74.4103.4178-54.9-55.1000109.1I21 V88 N89 N90 V136 K198 C226 P228 P251I21-I138 HydrophobicContact CD1-CD1 4.45Å; V88-I138 HydrophobicContact CG1-CD1 4.41Å; V88-I138 HydrophobicContact CG1-CG1 4.45Å; N89-I138 WeakPolarHBondContact O-CB 3.39Å; N89-I138 WeakPolarHBondContact O-CG1 3.48Å; N89-I138 PolarHBondContact O-N 2.91Å; N90-I138 HydrophobicContact CB-CG1 3.74Å; V136-I138 HydrophobicContact CG1-CD1 4.07Å; I138-K198 PolarHBondContact O-NZ 3.34Å; I138-C226 VanDerWaalsContact CD1-SG 3.51Å; I138-P228 HydrophobicContact CG2-CG 4.22Å; I138-P251 HydrophobicContact CD1-CB 3.8Å; I138-P251 HydrophobicContact CD1-CG 3.5Å
139S98.4Very high97.7Very high1 Ų137 Ų371%0.00718%0.179CC..  trans-95.2-149.8172.5-166.20000110.3N137 K198 T202 C226N137-S139 PolarHBondContact O-N 2.77Å; S139-K198 PolarHBondContact OG-O 3.42Å; S139-T202 WeakPolarHBondContact CB-OG1 3.18Å; S139-T202 PolarHBondContact OG-OG1 3.32Å; S139-C226 CarbonylContact C-O 3.51Å; S139-C226 WeakPolarHBondContact CA-O 3.49Å; S139-C226 PolarHBondContact N-O 3.32Å
140S97.6Very high97.7Very high16 Ų1637.2 Ų37.211%0.11218%0.181CC..  trans-159.5148.4173.9178.80000109.5Q142 C143S140-Q142 PolarHBondContact O-N 2.84Å; S140-Q142 VanDerWaalsContact O-N 3.09Å; S140-Q142 WeakPolarHBondContact OG-CB 3.36Å; S140-Q142 PolarHBondContact OG-N 3.04Å; S140-C143 VanDerWaalsContact O-CB 3.3Å; S140-C143 WeakPolarHBondContact O-CB 3.31Å; S140-C143 PolarHBondContact O-N 2.93Å; S140-C143 PolarHBondContact O-SG 2.97Å
141L96.3Very high97.7Very high52 Ų5237 Ų3727%0.27219%0.185SC..THydrogen-bonded Turntrans-61.1-14.9169.4-68.4179.3000112.8C143 L144 C227 L268 H270 Q275L141-C143 PolarHBondContact O-N 2.86Å; L141-C143 VanDerWaalsContact O-N 3.15Å; L141-L144 HydrophobicContact CD2-CD1 3.92Å; L141-L144 PolarHBondContact O-N 3.46Å; L141-C227 HydrophobicContact CB-CB 4.49Å; L141-C227 HydrophobicContact CD2-CB 4.22Å; L141-C227 HydrophobicContact CG-CB 3.74Å; L141-C227 PolarHBondContact N-SG 2.98Å; L141-L268 HydrophobicContact CD2-CD2 4.38Å; L141-H270 HydrophobicContact CD1-CB 4.47Å; L141-H270 HydrophobicContact CD2-CB 4.24Å; L141-Q275 HydrophobicContact CD2-CG 4.1Å
142Q95.3Very high97.7Very high66 Ų6641.3 Ų41.331%0.30820%0.2SC..Hα-helixtrans-58-20.9166.6-71-88.390.700112.7S140 L144 R145 A146 Y194S140-Q142 PolarHBondContact O-N 2.84Å; S140-Q142 VanDerWaalsContact O-N 3.09Å; S140-Q142 WeakPolarHBondContact OG-CB 3.36Å; S140-Q142 PolarHBondContact OG-N 3.04Å; Q142-L144 VanDerWaalsContact C-N 3.34Å; Q142-R145 VanDerWaalsContact OE1-NH1 3.17Å; Q142-A146 WeakPolarHBondContact O-CB 3.32Å; Q142-A146 PolarHBondContact O-N 2.84Å; Q142-Y194 HydrophobicContact CB-CD1 4.18Å; Q142-Y194 HydrophobicContact CB-CE1 4.15Å; Q142-Y194 HydrophobicContact CG-CD1 4.3Å; Q142-Y194 HydrophobicContact CG-CE1 4.18Å
143C96.8Very high97.7Very high0 Ų043 Ų430%021%0.211CC..Hα-helixtrans-65.5-36.3173.574.90000112.6S140 L141 A146 F147 K198 L199 T202S140-C143 VanDerWaalsContact O-CB 3.3Å; S140-C143 WeakPolarHBondContact O-CB 3.31Å; S140-C143 PolarHBondContact O-N 2.93Å; S140-C143 PolarHBondContact O-SG 2.97Å; L141-C143 PolarHBondContact O-N 2.86Å; L141-C143 VanDerWaalsContact O-N 3.15Å; C143-A146 PolarHBondContact O-N 3.32Å; C143-F147 WeakPolarHBondContact O-CB 3.44Å; C143-F147 PolarHBondContact O-N 3.28Å; C143-K198 HydrophobicContact CB-CB 4.04Å; C143-L199 HydrophobicContact CB-CB 4.21Å; C143-T202 PolarHBondContact SG-OG1 2.91Å; C143-T202 VanDerWaalsContact SG-OG1 3.4Å
144L96.8Very high97.7Very high32 Ų3243.3 Ų43.317%0.16821%0.213CC..Hα-helixtrans-69.3-44.1178.4-62.9178.1000110.1L141 Q142 A146 F147 E148 L268 W277L141-L144 HydrophobicContact CD2-CD1 3.92Å; L141-L144 PolarHBondContact O-N 3.46Å; Q142-L144 VanDerWaalsContact C-N 3.34Å; L144-A146 VanDerWaalsContact C-N 3.33Å; L144-A146 PolarHBondContact O-N 2.99Å; L144-F147 WeakPolarHBondContact O-CB 3.3Å; L144-F147 PolarHBondContact O-N 2.85Å; L144-E148 WeakPolarHBondContact O-CG 3.41Å; L144-E148 PolarHBondContact O-N 2.72Å; L144-L268 HydrophobicContact CD1-CD2 4.08Å; L144-L268 HydrophobicContact CD2-CD2 3.91Å; L144-L268 HydrophobicContact CG-CD2 3.91Å; L144-W277 HydrophobicContact CD2-CE3 3.72Å; L144-W277 HydrophobicContact CD2-CZ3 3.85Å
145R95.1Very high97.7Very high155 Ų15544.8 Ų44.859%0.58522%0.22SC*.Hα-helixtrans-61.7-40.2173.5-66.9-180177.8174.9-4.8112.5Q142 F147 N149Q142-R145 VanDerWaalsContact OE1-NH1 3.17Å; R145-F147 VanDerWaalsContact C-N 3.34Å; R145-N149 WeakPolarHBondContact O-CB 3.46Å; R145-N149 PolarHBondContact O-N 3.08Å; R145-N149 PolarHBondContact O-ND2 3Å
146A97.2Very high97.7Very high3 Ų351.4 Ų51.43%0.02525%0.251CS..Hα-helixtrans-65.3-42.9176.100000110.9Q142 C143 L144 N149 C150 P190 G195Q142-A146 WeakPolarHBondContact O-CB 3.32Å; Q142-A146 PolarHBondContact O-N 2.84Å; C143-A146 PolarHBondContact O-N 3.32Å; L144-A146 VanDerWaalsContact C-N 3.33Å; L144-A146 PolarHBondContact O-N 2.99Å; A146-N149 CarbonylContact O-C 3.58Å; A146-N149 PolarHBondContact O-N 2.84Å; A146-C150 PolarHBondContact O-N 3.44Å; A146-C150 PolarHBondContact O-SG 2.94Å; A146-P190 HydrophobicContact CB-CG 4.06Å; A146-P190 WeakPolarHBondContact O-CG 3.36Å; A146-G195 VanDerWaalsContact CB-C 3.44Å
147F97.8Very high97.6Very high4 Ų456.1 Ų56.12%0.01827%0.271CS..Hα-helixtrans-60.5-48.4176.1176.3-85000112.2C143 L144 R145 N149 C150 Q155 F158 R159 L199 W277C143-F147 WeakPolarHBondContact O-CB 3.44Å; C143-F147 PolarHBondContact O-N 3.28Å; L144-F147 WeakPolarHBondContact O-CB 3.3Å; L144-F147 PolarHBondContact O-N 2.85Å; R145-F147 VanDerWaalsContact C-N 3.34Å; F147-N149 PolarHBondContact O-N 3.19Å; F147-C150 VanDerWaalsContact O-CB 3.29Å; F147-C150 WeakPolarHBondContact O-CB 3.49Å; F147-C150 PolarHBondContact O-N 3.5Å; F147-Q155 HydrophobicContact CD1-CG 4.39Å; F147-Q155 HydrophobicContact CE1-CB 4.14Å; F147-Q155 HydrophobicContact CE1-CG 3.82Å; F147-Q155 HydrophobicContact CE2-CB 3.95Å; F147-Q155 HydrophobicContact CE2-CG 4.07Å; F147-Q155 WeakPolarHBondContact CE2-O 3.42Å; F147-Q155 HydrophobicContact CZ-CB 3.51Å; F147-Q155 HydrophobicContact CZ-CG 3.64Å; F147-Q155 WeakPolarHBondContact O-CG 3.18Å; F147-F158 HydrophobicContact CD2-CB 3.97Å; F147-F158 HydrophobicContact CE2-CB 3.79Å; F147-R159 HydrophobicContact CE2-CG 3.89Å; F147-R159 HydrophobicContact CZ-CG 3.63Å; F147-R159 VanDerWaalsContact CZ-NE 3.28Å; F147-L199 HydrophobicContact CB-CD1 4.28Å; F147-L199 HydrophobicContact CD2-CD1 4.1Å; F147-W277 HydrophobicContact CD2-CZ2 4.23Å
148E97.4Very high97.6Very high130 Ų13056.1 Ų56.161%0.60727%0.272SS*.Hα-helixtrans-60.3-30.5178-73.5168.5171.800112.9L144 Q155L144-E148 WeakPolarHBondContact O-CG 3.41Å; L144-E148 PolarHBondContact O-N 2.72Å; E148-Q155 PolarHBondContact O-NE2 3.27Å
149N97.8Very high97.5Very high113 Ų11361.3 Ų61.360%0.60429%0.29SS*.THydrogen-bonded Turntrans-90.52.9177.7-70.8-51.8000113.5R145 A146 F147 P190R145-N149 WeakPolarHBondContact O-CB 3.46Å; R145-N149 PolarHBondContact O-N 3.08Å; R145-N149 PolarHBondContact O-ND2 3Å; A146-N149 CarbonylContact O-C 3.58Å; A146-N149 PolarHBondContact O-N 2.84Å; F147-N149 PolarHBondContact O-N 3.19Å; N149-P190 HydrophobicContact CB-CB 3.72Å
150C98.5Very high97.4Very high7 Ų763 Ų635%0.04730%0.303CS..SBendtrans-77.5155.9168.8-68.60000110.5A146 F147 L154 Q155 G188A146-C150 PolarHBondContact O-N 3.44Å; A146-C150 PolarHBondContact O-SG 2.94Å; F147-C150 VanDerWaalsContact O-CB 3.29Å; F147-C150 WeakPolarHBondContact O-CB 3.49Å; F147-C150 PolarHBondContact O-N 3.5Å; C150-L154 HydrophobicContact CB-CB 3.81Å; C150-L154 HydrophobicContact CB-CD1 4.38Å; C150-Q155 HydrophobicContact CB-CG 4.01Å; C150-Q155 PolarHBondContact O-NE2 3.41Å; C150-G188 CarbonylContact C-O 3.56Å; C150-G188 VanDerWaalsContact CA-O 3.25Å; C150-G188 WeakPolarHBondContact CA-O 3.21Å
151S98.6Very high97.2Very high42 Ų4269 Ų6929%0.29433%0.329SS..  trans-59.3158.6167.1630000112.2D153 L154 Q155 G188S151-D153 VanDerWaalsContact C-N 3.29Å; S151-D153 PolarHBondContact O-N 2.73Å; S151-L154 PolarHBondContact O-N 3.46Å; S151-L154 VanDerWaalsContact O-N 3.07Å; S151-L154 PolarHBondContact OG-N 3.41Å; S151-Q155 WeakPolarHBondContact O-CG 3.4Å; S151-Q155 PolarHBondContact O-N 3.44Å; S151-G188 PolarHBondContact N-O 2.67Å
152E98.2Very high97.2Very high155 Ų15572.2 Ų72.272%0.72435%0.351SS*.Hα-helixtrans-54.3-45.3177.4-66.5-177167.700111.6L154 Q155 E156E152-L154 VanDerWaalsContact C-N 3.31Å; E152-L154 PolarHBondContact O-N 2.92Å; E152-Q155 WeakPolarHBondContact O-CB 3.34Å; E152-Q155 PolarHBondContact O-N 3.38Å; E152-Q155 VanDerWaalsContact O-N 3.12Å; E152-E156 WeakPolarHBondContact O-CG 3.28Å; E152-E156 PolarHBondContact O-N 2.95Å
153D98.1Very high97.3Very high106 Ų10669.8 Ų69.857%0.56734%0.34SS*.Hα-helixtrans-55.8-41.9175.8-72.17.1000113.3S151 K157S151-D153 VanDerWaalsContact C-N 3.29Å; S151-D153 PolarHBondContact O-N 2.73Å; D153-K157 WeakPolarHBondContact O-CD 3.4Å; D153-K157 VanDerWaalsContact O-CG 3.27Å; D153-K157 WeakPolarHBondContact O-CG 3.4Å; D153-K157 PolarHBondContact O-N 2.9Å
154L98.6Very high97.4Very high7 Ų773.1 Ų73.14%0.03736%0.36CS..Hα-helixtrans-73.3-39.8177.9-77.6173.9000110.9C150 S151 E152 E156 K157 F158 L171 G188 W189C150-L154 HydrophobicContact CB-CB 3.81Å; C150-L154 HydrophobicContact CB-CD1 4.38Å; S151-L154 PolarHBondContact O-N 3.46Å; S151-L154 VanDerWaalsContact O-N 3.07Å; S151-L154 PolarHBondContact OG-N 3.41Å; E152-L154 VanDerWaalsContact C-N 3.31Å; E152-L154 PolarHBondContact O-N 2.92Å; L154-E156 VanDerWaalsContact C-N 3.34Å; L154-E156 PolarHBondContact O-N 3.34Å; L154-K157 PolarHBondContact O-N 2.97Å; L154-F158 HydrophobicContact CB-CD2 4.39Å; L154-F158 HydrophobicContact CB-CE2 4.24Å; L154-F158 HydrophobicContact CD2-CE2 4.28Å; L154-F158 WeakPolarHBondContact O-CD2 3.41Å; L154-F158 PolarHBondContact O-N 3.36Å; L154-L171 HydrophobicContact CD2-CD2 3.99Å; L154-G188 WeakPolarHBondContact CD1-O 3.37Å; L154-W189 HydrophobicContact CD1-CD2 3.75Å; L154-W189 HydrophobicContact CD1-CE3 3.86Å; L154-W189 HydrophobicContact CD1-CG 4.22Å; L154-W189 HydrophobicContact CD1-CH2 4.44Å; L154-W189 HydrophobicContact CD1-CZ2 4.36Å; L154-W189 HydrophobicContact CD1-CZ3 4.21Å; L154-W189 HydrophobicContact CD2-CH2 3.84Å; L154-W189 HydrophobicContact CD2-CZ2 3.9Å; L154-W189 HydrophobicContact CD2-CZ3 4.24Å
155Q98.4Very high97.5Very high38 Ų3872.7 Ų72.718%0.17836%0.357CS..Hα-helixtrans-59.4-44.2175.6-72.5-173.639.100111.7F147 E148 C150 S151 E152 F158 R159F147-Q155 HydrophobicContact CD1-CG 4.39Å; F147-Q155 HydrophobicContact CE1-CB 4.14Å; F147-Q155 HydrophobicContact CE1-CG 3.82Å; F147-Q155 HydrophobicContact CE2-CB 3.95Å; F147-Q155 HydrophobicContact CE2-CG 4.07Å; F147-Q155 WeakPolarHBondContact CE2-O 3.42Å; F147-Q155 HydrophobicContact CZ-CB 3.51Å; F147-Q155 HydrophobicContact CZ-CG 3.64Å; F147-Q155 WeakPolarHBondContact O-CG 3.18Å; E148-Q155 PolarHBondContact O-NE2 3.27Å; C150-Q155 HydrophobicContact CB-CG 4.01Å; C150-Q155 PolarHBondContact O-NE2 3.41Å; S151-Q155 WeakPolarHBondContact O-CG 3.4Å; S151-Q155 PolarHBondContact O-N 3.44Å; E152-Q155 WeakPolarHBondContact O-CB 3.34Å; E152-Q155 PolarHBondContact O-N 3.38Å; E152-Q155 VanDerWaalsContact O-N 3.12Å; Q155-F158 PolarHBondContact O-N 3.27Å; Q155-R159 WeakPolarHBondContact O-CB 3.39Å; Q155-R159 PolarHBondContact O-N 3.02Å
156E97.8Very high97.7Very high141 Ų14167.1 Ų67.166%0.65935%0.348SS*.Hα-helixtrans-59.8-46.8174.9-74.1-172.4171.300111.6E152 L154 F158 R159 S160E152-E156 WeakPolarHBondContact O-CG 3.28Å; E152-E156 PolarHBondContact O-N 2.95Å; L154-E156 VanDerWaalsContact C-N 3.34Å; L154-E156 PolarHBondContact O-N 3.34Å; E156-F158 PolarHBondContact O-N 2.95Å; E156-R159 PolarHBondContact O-N 3.49Å; E156-S160 PolarHBondContact O-N 3.09Å
157K98.2Very high97.7Very high99 Ų9970.5 Ų70.543%0.4337%0.365SS..Hα-helixtrans-60.1-45177.5-71.4169.2-169.3169.20112D153 L154 S160 L171D153-K157 WeakPolarHBondContact O-CD 3.4Å; D153-K157 VanDerWaalsContact O-CG 3.27Å; D153-K157 WeakPolarHBondContact O-CG 3.4Å; D153-K157 PolarHBondContact O-N 2.9Å; L154-K157 PolarHBondContact O-N 2.97Å; K157-S160 WeakPolarHBondContact O-CB 3.38Å; K157-S160 PolarHBondContact O-N 2.94Å; K157-L171 HydrophobicContact CB-CD1 4.18Å; K157-L171 HydrophobicContact CD-CD2 4.13Å
158F98.1Very high97.8Very high1 Ų170.3 Ų70.30%0.00436%0.364CS..Hα-helixtrans-74.2-23.3-179.1-71.8-53.1000114.3F147 L154 Q155 E156 L168 L171 M172 W189 L199 V203 W277F147-F158 HydrophobicContact CD2-CB 3.97Å; F147-F158 HydrophobicContact CE2-CB 3.79Å; L154-F158 HydrophobicContact CB-CD2 4.39Å; L154-F158 HydrophobicContact CB-CE2 4.24Å; L154-F158 HydrophobicContact CD2-CE2 4.28Å; L154-F158 WeakPolarHBondContact O-CD2 3.41Å; L154-F158 PolarHBondContact O-N 3.36Å; Q155-F158 PolarHBondContact O-N 3.27Å; E156-F158 PolarHBondContact O-N 2.95Å; F158-L168 HydrophobicContact CD1-CD1 4.19Å; F158-L168 HydrophobicContact CE1-CD1 3.8Å; F158-L171 HydrophobicContact CD1-CD1 4.24Å; F158-L171 HydrophobicContact CE1-CB 4.29Å; F158-L171 HydrophobicContact CE1-CD1 3.75Å; F158-L171 HydrophobicContact CZ-CB 4.32Å; F158-L171 HydrophobicContact CZ-CD1 4.14Å; F158-M172 HydrophobicContact CE1-CE 3.64Å; F158-M172 HydrophobicContact CZ-CE 3.53Å; F158-W189 HydrophobicContact CE2-CH2 4.21Å; F158-W189 AromaticContact CE2-CZ3 3.76Å; F158-W189 HydrophobicContact CE2-CZ3 3.76Å; F158-W189 AromaticContact CZ-CH2 3.81Å; F158-W189 HydrophobicContact CZ-CH2 3.81Å; F158-W189 AromaticContact CZ-CZ3 3.63Å; F158-W189 HydrophobicContact CZ-CZ3 3.63Å; F158-L199 HydrophobicContact CB-CD1 4.18Å; F158-L199 HydrophobicContact CD1-CD1 4.15Å; F158-L199 HydrophobicContact CD1-CG 4.4Å; F158-L199 HydrophobicContact CD2-CD1 4.17Å; F158-L199 HydrophobicContact CD2-CD2 3.83Å; F158-L199 HydrophobicContact CD2-CG 4.34Å; F158-L199 HydrophobicContact CE1-CG 4.39Å; F158-L199 HydrophobicContact CE2-CD2 3.69Å; F158-L199 HydrophobicContact CE2-CG 4.34Å; F158-L199 HydrophobicContact CG-CD1 3.91Å; F158-L199 HydrophobicContact CG-CD2 4.36Å; F158-L199 HydrophobicContact CG-CG 4.38Å; F158-L199 HydrophobicContact CZ-CD2 4.09Å; F158-L199 HydrophobicContact CZ-CG 4.37Å; F158-V203 HydrophobicContact CB-CG2 4.3Å; F158-V203 HydrophobicContact CD1-CG2 4.01Å; F158-W277 PolarHBondContact O-NE1 3.46Å
159R95.8Very high97.8Very high119 Ų11964.7 Ų64.745%0.44934%0.339SS..Hα-helixtrans-82.6-21.5172.1-79.8-179.2176.8138.4-2.9113.5F147 Q155 E156 E161 W277F147-R159 HydrophobicContact CE2-CG 3.89Å; F147-R159 HydrophobicContact CZ-CG 3.63Å; F147-R159 VanDerWaalsContact CZ-NE 3.28Å; Q155-R159 WeakPolarHBondContact O-CB 3.39Å; Q155-R159 PolarHBondContact O-N 3.02Å; E156-R159 PolarHBondContact O-N 3.49Å; R159-E161 PolarHBondContact O-N 3.49Å; R159-W277 PolarHBondContact NE-OXT 3.36Å
160S96.6Very high97.9Very high38 Ų3863.7 Ų63.727%0.26633%0.334SS..  trans-51.8125.7-176.71750000112.9E156 K157 T162 L163E156-S160 PolarHBondContact O-N 3.09Å; K157-S160 WeakPolarHBondContact O-CB 3.38Å; K157-S160 PolarHBondContact O-N 2.94Å; S160-T162 PolarHBondContact O-N 2.85Å; S160-T162 PolarHBondContact OG-N 3.48Å; S160-T162 PolarHBondContact OG-OG1 3.48Å; S160-T162 VanDerWaalsContact OG-OG1 3.07Å; S160-L163 PolarHBondContact OG-N 2.71Å
161E94.3Very high97.9Very high142 Ų14264.2 Ų64.266%0.66434%0.336SS*.THydrogen-bonded Turntrans-75-12.7175.7-60.8-168155.300112.7R159 R210R159-E161 PolarHBondContact O-N 3.49Å; E161-R210 WeakPolarHBondContact O-CD 3.42Å; E161-R210 PolarHBondContact O-NE 3.07Å; E161-R210 PolarHBondContact O-NH1 3.22Å; E161-R210 PolarHBondContact O-NH2 3.37Å
162T96.3Very high97.9Very high119 Ų11962.2 Ų62.273%0.7332%0.322SS*.THydrogen-bonded Turntrans-104.7-3.8179.158.50000113.3S160 T164S160-T162 PolarHBondContact O-N 2.85Å; S160-T162 PolarHBondContact OG-N 3.48Å; S160-T162 PolarHBondContact OG-OG1 3.48Å; S160-T162 VanDerWaalsContact OG-OG1 3.07Å; T162-T164 PolarHBondContact O-N 3.01Å
163L97.9Very high97.9Very high15 Ų1560.1 Ų60.18%0.07931%0.31CS..  trans-52.9124.9176.2-170.576.3000110.3S160 D167 L168 L171 V203 I207 R210S160-L163 PolarHBondContact OG-N 2.71Å; L163-D167 HydrophobicContact CD1-CB 3.48Å; L163-D167 VanDerWaalsContact CD1-CB 3.48Å; L163-D167 HydrophobicContact CG-CB 4.12Å; L163-L168 HydrophobicContact CD2-CB 4.1Å; L163-L168 HydrophobicContact CD2-CD1 4.29Å; L163-L171 HydrophobicContact CD1-CD1 4.27Å; L163-V203 HydrophobicContact CD2-CG1 3.65Å; L163-I207 HydrophobicContact CD2-CD1 4.44Å; L163-R210 PolarHBondContact O-NH2 2.84Å
164T98.4Very high98Very high70 Ų7058.7 Ų58.743%0.42930%0.299SS..  trans-85.5164.6179730000111.5T162 G166 D167 L168T162-T164 PolarHBondContact O-N 3.01Å; T164-G166 PolarHBondContact O-N 3.02Å; T164-G166 PolarHBondContact OG1-N 3.41Å; T164-D167 VanDerWaalsContact CB-OD2 3.31Å; T164-D167 WeakPolarHBondContact CB-OD2 3.42Å; T164-D167 WeakPolarHBondContact CG2-OD2 3.49Å; T164-D167 PolarHBondContact N-OD2 3.22Å; T164-D167 PolarHBondContact O-N 3Å; T164-D167 PolarHBondContact OG1-N 3.22Å; T164-D167 VanDerWaalsContact OG1-N 3.13Å; T164-D167 PolarHBondContact OG1-OD2 2.9Å; T164-L168 PolarHBondContact O-N 3.4Å; T164-L168 VanDerWaalsContact O-N 3.07Å
165E98.4Very high98Very high23 Ų2358.3 Ų58.311%0.10730%0.297CS..Hα-helixtrans-60.7-32.9172.2-167.2-173.413000111.7R119 N123 V169 L204 I207 R211R119-E165 IonicContact CZ-OE1 2.79Å; R119-E165 IonicContact NE-OE1 3.7Å; R119-E165 PolarHBondContact NE-OE1 3.33Å; R119-E165 IonicContact NH2-OE1 3.12Å; R119-E165 PolarHBondContact NH2-OE1 3.32Å; N123-E165 PolarHBondContact ND2-OE1 2.85Å; E165-V169 WeakPolarHBondContact O-CB 3.22Å; E165-V169 VanDerWaalsContact O-CG2 3.27Å; E165-V169 WeakPolarHBondContact O-CG2 3.12Å; E165-V169 PolarHBondContact O-N 3.13Å; E165-L204 HydrophobicContact CG-CD1 4.07Å; E165-I207 HydrophobicContact CB-CG2 4.15Å; E165-R211 IonicContact OE2-CZ 2.71Å; E165-R211 IonicContact OE2-NH1 2.71Å; E165-R211 PolarHBondContact OE2-NH1 3.26Å
166G98.6Very high98Very high37 Ų3757.2 Ų57.238%0.38129%0.293SS..Hα-helixtrans-65.8-49.5176.200000111.9T164 L168 V169 D170T164-G166 PolarHBondContact O-N 3.02Å; T164-G166 PolarHBondContact OG1-N 3.41Å; G166-L168 VanDerWaalsContact C-N 3.3Å; G166-L168 PolarHBondContact O-N 3.36Å; G166-V169 WeakPolarHBondContact O-CB 3.44Å; G166-V169 PolarHBondContact O-N 3.36Å; G166-V169 VanDerWaalsContact O-N 3.09Å; G166-D170 PolarHBondContact O-N 2.99Å
167D98.6Very high98Very high74 Ų7455.2 Ų55.240%0.39628%0.284SS..Hα-helixtrans-59.4-42.4177.7-54.1-44.2000111.4L163 T164 V169 D170 L171L163-D167 HydrophobicContact CD1-CB 3.48Å; L163-D167 VanDerWaalsContact CD1-CB 3.48Å; L163-D167 HydrophobicContact CG-CB 4.12Å; T164-D167 VanDerWaalsContact CB-OD2 3.31Å; T164-D167 WeakPolarHBondContact CB-OD2 3.42Å; T164-D167 WeakPolarHBondContact CG2-OD2 3.49Å; T164-D167 PolarHBondContact N-OD2 3.22Å; T164-D167 PolarHBondContact O-N 3Å; T164-D167 PolarHBondContact OG1-N 3.22Å; T164-D167 VanDerWaalsContact OG1-N 3.13Å; T164-D167 PolarHBondContact OG1-OD2 2.9Å; D167-V169 VanDerWaalsContact C-N 3.35Å; D167-V169 PolarHBondContact O-N 3.07Å; D167-D170 PolarHBondContact O-N 3.18Å; D167-L171 WeakPolarHBondContact O-CG 3.16Å; D167-L171 PolarHBondContact O-N 3.03Å
168L98.8Very high98.1Very high0 Ų051 Ų510%027%0.266CS..Hα-helixtrans-63-42176.1-179.961.8000111.9F115 F158 L163 T164 G166 D170 L171 M172 V203 L204 I207F115-L168 HydrophobicContact CE2-CD2 3.78Å; F115-L168 HydrophobicContact CE2-CG 4.01Å; F115-L168 HydrophobicContact CZ-CD2 4.02Å; F115-L168 HydrophobicContact CZ-CG 3.86Å; F158-L168 HydrophobicContact CD1-CD1 4.19Å; F158-L168 HydrophobicContact CE1-CD1 3.8Å; L163-L168 HydrophobicContact CD2-CB 4.1Å; L163-L168 HydrophobicContact CD2-CD1 4.29Å; T164-L168 PolarHBondContact O-N 3.4Å; T164-L168 VanDerWaalsContact O-N 3.07Å; G166-L168 VanDerWaalsContact C-N 3.3Å; G166-L168 PolarHBondContact O-N 3.36Å; L168-D170 VanDerWaalsContact C-N 3.29Å; L168-D170 PolarHBondContact O-N 3.33Å; L168-L171 PolarHBondContact O-N 3.4Å; L168-M172 HydrophobicContact CD1-CE 4.33Å; L168-M172 HydrophobicContact CD1-CG 4.34Å; L168-M172 VanDerWaalsContact O-CG 3.3Å; L168-M172 WeakPolarHBondContact O-CG 3.41Å; L168-M172 PolarHBondContact O-N 3.49Å; L168-V203 HydrophobicContact CD1-CB 4.08Å; L168-V203 HydrophobicContact CD1-CG1 3.96Å; L168-V203 HydrophobicContact CD2-CB 4Å; L168-V203 HydrophobicContact CD2-CG1 3.91Å; L168-V203 HydrophobicContact CG-CG1 4.47Å; L168-L204 HydrophobicContact CD2-CB 3.91Å; L168-I207 HydrophobicContact CB-CD1 3.96Å; L168-I207 HydrophobicContact CD2-CD1 3.7Å; L168-I207 HydrophobicContact CG-CD1 4.45Å
169V98.8Very high98.1Very high13 Ų1351.2 Ų51.28%0.07927%0.268CS..Hα-helixtrans-59.9-42.8175.6159.20000110.9F115 F116 E165 G166 D167 M172 K173F115-V169 HydrophobicContact CE1-CG2 4.18Å; F115-V169 HydrophobicContact CZ-CG2 4.26Å; F116-V169 HydrophobicContact CE1-CG1 4.24Å; E165-V169 WeakPolarHBondContact O-CB 3.22Å; E165-V169 VanDerWaalsContact O-CG2 3.27Å; E165-V169 WeakPolarHBondContact O-CG2 3.12Å; E165-V169 PolarHBondContact O-N 3.13Å; G166-V169 WeakPolarHBondContact O-CB 3.44Å; G166-V169 PolarHBondContact O-N 3.36Å; G166-V169 VanDerWaalsContact O-N 3.09Å; D167-V169 VanDerWaalsContact C-N 3.35Å; D167-V169 PolarHBondContact O-N 3.07Å; V169-M172 PolarHBondContact O-N 3.49Å; V169-K173 HydrophobicContact CG1-CD 4.17Å; V169-K173 WeakPolarHBondContact O-CG 3.48Å; V169-K173 PolarHBondContact O-N 3.48Å
170D98.8Very high98.2Very high92 Ų9249.6 Ų49.649%0.49226%0.264SS..Hα-helixtrans-69-37.1-179.9-68.3-20.2000111.8G166 D167 L168 K173 K174G166-D170 PolarHBondContact O-N 2.99Å; D167-D170 PolarHBondContact O-N 3.18Å; L168-D170 VanDerWaalsContact C-N 3.29Å; L168-D170 PolarHBondContact O-N 3.33Å; D170-K173 PolarHBondContact O-N 3.19Å; D170-K173 IonicContact OD1-NZ 3.96Å; D170-K174 WeakPolarHBondContact O-CB 3.5Å; D170-K174 PolarHBondContact O-N 2.82Å
171L98.9Very high98.3Very high18 Ų1852 Ų529%0.09427%0.274CS..Hα-helixtrans-60.5-46.1170.5-74171.9000112.3L154 K157 F158 L163 D167 L168 K173 K174 F175 W189L154-L171 HydrophobicContact CD2-CD2 3.99Å; K157-L171 HydrophobicContact CB-CD1 4.18Å; K157-L171 HydrophobicContact CD-CD2 4.13Å; F158-L171 HydrophobicContact CD1-CD1 4.24Å; F158-L171 HydrophobicContact CE1-CB 4.29Å; F158-L171 HydrophobicContact CE1-CD1 3.75Å; F158-L171 HydrophobicContact CZ-CB 4.32Å; F158-L171 HydrophobicContact CZ-CD1 4.14Å; L163-L171 HydrophobicContact CD1-CD1 4.27Å; D167-L171 WeakPolarHBondContact O-CG 3.16Å; D167-L171 PolarHBondContact O-N 3.03Å; L168-L171 PolarHBondContact O-N 3.4Å; L171-K173 PolarHBondContact O-N 3.4Å; L171-K174 PolarHBondContact O-N 3.25Å; L171-F175 PolarHBondContact O-N 3.38Å; L171-W189 HydrophobicContact CB-CH2 4.27Å; L171-W189 HydrophobicContact CD2-CH2 4.44Å; L171-W189 WeakPolarHBondContact O-CH2 3.4Å; L171-W189 WeakPolarHBondContact O-CZ2 3.48Å
172M98.8Very high98.5Very high0 Ų053.7 Ų53.70%028%0.282CS..Hα-helixtrans-66.7-37179.4-67.1-61.297.500112.1L111 F115 F116 F158 L168 V169 V176 W189 V196L111-M172 HydrophobicContact CD2-CB 4.07Å; L111-M172 VanDerWaalsContact CD2-O 3.3Å; L111-M172 WeakPolarHBondContact CD2-O 3.1Å; L111-M172 HydrophobicContact CD2-SD 4.2Å; F115-M172 HydrophobicContact CD1-CB 3.74Å; F115-M172 HydrophobicContact CD1-CG 3.64Å; F115-M172 HydrophobicContact CD2-CG 4.12Å; F115-M172 HydrophobicContact CE1-CB 3.62Å; F115-M172 HydrophobicContact CE1-CG 3.46Å; F115-M172 VanDerWaalsContact CE1-CG 3.46Å; F115-M172 HydrophobicContact CE2-CG 3.94Å; F115-M172 HydrophobicContact CG-CB 4.47Å; F115-M172 HydrophobicContact CG-CG 3.97Å; F115-M172 HydrophobicContact CZ-CB 4.27Å; F115-M172 HydrophobicContact CZ-CG 3.62Å; F116-M172 HydrophobicContact CZ-CB 4.04Å; F158-M172 HydrophobicContact CE1-CE 3.64Å; F158-M172 HydrophobicContact CZ-CE 3.53Å; L168-M172 HydrophobicContact CD1-CE 4.33Å; L168-M172 HydrophobicContact CD1-CG 4.34Å; L168-M172 VanDerWaalsContact O-CG 3.3Å; L168-M172 WeakPolarHBondContact O-CG 3.41Å; L168-M172 PolarHBondContact O-N 3.49Å; V169-M172 PolarHBondContact O-N 3.49Å; M172-V176 PolarHBondContact O-N 2.87Å; M172-W189 HydrophobicContact CE-CH2 4.28Å; M172-W189 HydrophobicContact CE-CZ3 4.28Å; M172-V196 HydrophobicContact CE-CG1 4.01Å; M172-V196 HydrophobicContact SD-CG1 4.09Å
173K98.8Very high98.6Very high110 Ų11049.5 Ų49.548%0.47826%0.255SS..Hα-helixtrans-65.6-43.5171.7-72.9173.6-177.7166.30111.7F116 V169 D170 L171 F175 V176 E177F116-K173 HydrophobicContact CE1-CG 4.21Å; F116-K173 HydrophobicContact CZ-CG 3.77Å; V169-K173 HydrophobicContact CG1-CD 4.17Å; V169-K173 WeakPolarHBondContact O-CG 3.48Å; V169-K173 PolarHBondContact O-N 3.48Å; D170-K173 PolarHBondContact O-N 3.19Å; D170-K173 IonicContact OD1-NZ 3.96Å; L171-K173 PolarHBondContact O-N 3.4Å; K173-F175 VanDerWaalsContact C-N 3.33Å; K173-F175 PolarHBondContact O-N 3.14Å; K173-V176 PolarHBondContact O-N 3.14Å; K173-E177 PolarHBondContact O-N 3.21Å
174K98.8Very high98.6Very high76 Ų7649.6 Ų49.633%0.3326%0.256SS..Hα-helixtrans-59.1-43.3177.9173.3163.3169.3510111.3D170 L171 V176 E177 D178 E187 W189D170-K174 WeakPolarHBondContact O-CB 3.5Å; D170-K174 PolarHBondContact O-N 2.82Å; L171-K174 PolarHBondContact O-N 3.25Å; K174-V176 PolarHBondContact O-N 3.22Å; K174-E177 PolarHBondContact O-N 2.86Å; K174-D178 WeakPolarHBondContact CE-OD2 3.46Å; K174-D178 WeakPolarHBondContact CG-OD2 3.41Å; K174-D178 IonicContact NZ-OD1 2.85Å; K174-D178 PolarHBondContact NZ-OD1 3.22Å; K174-D178 IonicContact NZ-OD2 2.79Å; K174-D178 PolarHBondContact NZ-OD2 3.45Å; K174-D178 WeakPolarHBondContact O-CB 3.14Å; K174-D178 PolarHBondContact O-N 3Å; K174-E187 IonicContact NZ-OE2 3.78Å; K174-E187 PolarHBondContact NZ-OE2 2.77Å; K174-W189 HydrophobicContact CG-CZ2 4.35Å
175F98.8Very high98.6Very high0 Ų052.1 Ų52.10%026%0.262CS..Hα-helixtrans-54.9-51.8173.8173-113.6000111.8F103 A107 L111 L171 K173 E177 D178 T179 W189 P193 V196F103-F175 HydrophobicContact CE1-CZ 4.38Å; F103-F175 HydrophobicContact CZ-CZ 4.44Å; A107-F175 HydrophobicContact CB-CE1 3.86Å; A107-F175 HydrophobicContact CB-CZ 4.32Å; L111-F175 HydrophobicContact CD1-CD1 3.89Å; L111-F175 HydrophobicContact CD1-CE1 3.8Å; L111-F175 HydrophobicContact CD2-CD1 3.7Å; L111-F175 HydrophobicContact CD2-CE1 4.46Å; L111-F175 HydrophobicContact CG-CD1 4.48Å; L171-F175 PolarHBondContact O-N 3.38Å; K173-F175 VanDerWaalsContact C-N 3.33Å; K173-F175 PolarHBondContact O-N 3.14Å; F175-E177 VanDerWaalsContact C-N 3.32Å; F175-E177 PolarHBondContact O-N 3.29Å; F175-D178 PolarHBondContact O-N 3.11Å; F175-T179 HydrophobicContact CD2-CG2 4.12Å; F175-T179 HydrophobicContact CE1-CG2 4.34Å; F175-T179 HydrophobicContact CE2-CG2 3.71Å; F175-T179 HydrophobicContact CZ-CG2 3.83Å; F175-T179 WeakPolarHBondContact O-CG2 3.49Å; F175-T179 PolarHBondContact O-N 3Å; F175-W189 HydrophobicContact CB-CD2 3.95Å; F175-W189 HydrophobicContact CB-CE3 4.08Å; F175-W189 HydrophobicContact CB-CH2 3.98Å; F175-W189 HydrophobicContact CB-CZ2 3.84Å; F175-W189 HydrophobicContact CB-CZ3 4.1Å; F175-W189 HydrophobicContact CD2-CB 3.74Å; F175-W189 AromaticContact CD2-CD2 3.61Å; F175-W189 HydrophobicContact CD2-CD2 3.61Å; F175-W189 AromaticContact CD2-CE3 3.86Å; F175-W189 HydrophobicContact CD2-CE3 3.86Å; F175-W189 AromaticContact CD2-CG 3.57Å; F175-W189 HydrophobicContact CD2-CG 3.57Å; F175-W189 HydrophobicContact CE2-CB 3.95Å; F175-W189 HydrophobicContact CE2-CG 4.29Å; F175-W189 HydrophobicContact CG-CD2 4.19Å; F175-W189 HydrophobicContact CG-CE3 4.24Å; F175-P193 HydrophobicContact CE1-CB 4.05Å; F175-P193 HydrophobicContact CZ-CB 4.17Å; F175-P193 HydrophobicContact CZ-CG 4.4Å; F175-V196 HydrophobicContact CB-CG1 4.24Å; F175-V196 HydrophobicContact CD1-CB 4.05Å; F175-V196 HydrophobicContact CD1-CG1 3.59Å; F175-V196 HydrophobicContact CD1-CG2 4.45Å; F175-V196 HydrophobicContact CD2-CG1 4.28Å; F175-V196 HydrophobicContact CD2-CG2 4.26Å; F175-V196 HydrophobicContact CE1-CB 3.86Å; F175-V196 HydrophobicContact CE1-CG1 3.95Å; F175-V196 HydrophobicContact CE1-CG2 4.12Å; F175-V196 HydrophobicContact CE2-CG2 3.91Å; F175-V196 HydrophobicContact CG-CB 4.45Å; F175-V196 HydrophobicContact CG-CG1 3.76Å; F175-V196 HydrophobicContact CZ-CB 4.1Å; F175-V196 HydrophobicContact CZ-CG1 4.44Å; F175-V196 HydrophobicContact CZ-CG2 3.84Å
176V98.7Very high98.6Very high15 Ų1560 Ų609%0.09129%0.291CS..Hα-helixtrans-57.3-46.2178.3179.70000111.2E108 L111 M172 K173 K174 T179 K180E108-V176 HydrophobicContact CB-CG1 3.9Å; E108-V176 HydrophobicContact CG-CG1 4.39Å; L111-V176 HydrophobicContact CB-CG2 4.12Å; L111-V176 HydrophobicContact CD2-CG2 3.69Å; L111-V176 HydrophobicContact CG-CG2 4.42Å; M172-V176 PolarHBondContact O-N 2.87Å; K173-V176 PolarHBondContact O-N 3.14Å; K174-V176 PolarHBondContact O-N 3.22Å; V176-T179 PolarHBondContact O-N 3.32Å; V176-T179 PolarHBondContact O-OG1 2.97Å; V176-K180 HydrophobicContact CG1-CD 4.49Å; V176-K180 WeakPolarHBondContact O-CG 3.49Å; V176-K180 PolarHBondContact O-N 3.24Å; V176-K180 VanDerWaalsContact O-N 3.16Å
177E98.8Very high98.6Very high98 Ų9861.8 Ų61.846%0.45829%0.29SS..Hα-helixtrans-64.1-42.5179.7-172.957.6-150.700112.4K173 K174 F175 T179 K180 N181K173-E177 PolarHBondContact O-N 3.21Å; K174-E177 PolarHBondContact O-N 2.86Å; F175-E177 VanDerWaalsContact C-N 3.32Å; F175-E177 PolarHBondContact O-N 3.29Å; E177-T179 VanDerWaalsContact C-N 3.27Å; E177-T179 PolarHBondContact O-N 3.45Å; E177-K180 WeakPolarHBondContact O-CB 3.29Å; E177-K180 PolarHBondContact O-N 3.34Å; E177-N181 PolarHBondContact O-N 2.85Å; E177-N181 VanDerWaalsContact O-N 3.07Å; E177-N181 PolarHBondContact O-ND2 3.35Å; E177-N181 PolarHBondContact OE1-ND2 3.23Å
178D98.8Very high98.5Very high12 Ų1259 Ų596%0.06428%0.278CS..Hα-helixtrans-65.5-32.2178.5-65.5-22.3000111.5K174 F175 N181 E182 V183 H184 E187 W189K174-D178 WeakPolarHBondContact CE-OD2 3.46Å; K174-D178 WeakPolarHBondContact CG-OD2 3.41Å; K174-D178 IonicContact NZ-OD1 2.85Å; K174-D178 PolarHBondContact NZ-OD1 3.22Å; K174-D178 IonicContact NZ-OD2 2.79Å; K174-D178 PolarHBondContact NZ-OD2 3.45Å; K174-D178 WeakPolarHBondContact O-CB 3.14Å; K174-D178 PolarHBondContact O-N 3Å; F175-D178 PolarHBondContact O-N 3.11Å; D178-N181 PolarHBondContact O-N 2.63Å; D178-E182 PolarHBondContact O-N 3.39Å; D178-E182 VanDerWaalsContact O-N 3.15Å; D178-V183 HydrophobicContact CB-CG2 4.09Å; D178-V183 PolarHBondContact O-N 3.38Å; D178-H184 HydrophobicContact CB-CB 3.9Å; D178-H184 PolarHBondContact O-N 3.07Å; D178-E187 HydrophobicContact CB-CG 4.43Å; D178-W189 PolarHBondContact OD2-NE1 2.88Å
179T98.4Very high98.5Very high5 Ų559.2 Ų59.23%0.03128%0.279CS..Hα-helixtrans-68.5-38.8173.263.50000112.6F103 A107 F175 V176 E177 N181 E182 H184F103-T179 HydrophobicContact CD1-CG2 3.76Å; F103-T179 HydrophobicContact CE1-CG2 3.42Å; F103-T179 VanDerWaalsContact CE1-CG2 3.42Å; A107-T179 HydrophobicContact CB-CG2 4.04Å; F175-T179 HydrophobicContact CD2-CG2 4.12Å; F175-T179 HydrophobicContact CE1-CG2 4.34Å; F175-T179 HydrophobicContact CE2-CG2 3.71Å; F175-T179 HydrophobicContact CZ-CG2 3.83Å; F175-T179 WeakPolarHBondContact O-CG2 3.49Å; F175-T179 PolarHBondContact O-N 3Å; V176-T179 PolarHBondContact O-N 3.32Å; V176-T179 PolarHBondContact O-OG1 2.97Å; E177-T179 VanDerWaalsContact C-N 3.27Å; E177-T179 PolarHBondContact O-N 3.45Å; T179-N181 VanDerWaalsContact C-N 3.26Å; T179-N181 PolarHBondContact O-N 2.87Å; T179-E182 PolarHBondContact O-N 3.1Å; T179-E182 VanDerWaalsContact O-N 3.15Å; T179-H184 HydrophobicContact CG2-CB 3.92Å
180K98.2Very high98.5Very high84 Ų8459 Ų5937%0.36528%0.278SS..Hα-helixtrans-64.9-33.2176.3-71.5176.9177.3-172.70112.2D104 E108 V176 E177 E182D104-K180 HydrophobicContact CB-CG 4Å; E108-K180 VanDerWaalsContact CD-NZ 3.28Å; E108-K180 IonicContact OE1-NZ 3.79Å; E108-K180 PolarHBondContact OE1-NZ 3.36Å; E108-K180 WeakPolarHBondContact OE2-CE 3.49Å; E108-K180 IonicContact OE2-NZ 2.71Å; E108-K180 PolarHBondContact OE2-NZ 3.19Å; V176-K180 HydrophobicContact CG1-CD 4.49Å; V176-K180 WeakPolarHBondContact O-CG 3.49Å; V176-K180 PolarHBondContact O-N 3.24Å; V176-K180 VanDerWaalsContact O-N 3.16Å; E177-K180 WeakPolarHBondContact O-CB 3.29Å; E177-K180 PolarHBondContact O-N 3.34Å; K180-E182 VanDerWaalsContact C-N 3.33Å
181N98.2Very high98.4Very high90 Ų9059 Ų5948%0.48128%0.277SS..THydrogen-bonded Turntrans-88.61.7177.5-66.9-56.1000113.2E177 D178 T179 V183E177-N181 PolarHBondContact O-N 2.85Å; E177-N181 VanDerWaalsContact O-N 3.07Å; E177-N181 PolarHBondContact O-ND2 3.35Å; E177-N181 PolarHBondContact OE1-ND2 3.23Å; D178-N181 PolarHBondContact O-N 2.63Å; T179-N181 VanDerWaalsContact C-N 3.26Å; T179-N181 PolarHBondContact O-N 2.87Å; N181-V183 HydrophobicContact CB-CG2 3.93Å; N181-V183 WeakPolarHBondContact O-CG1 3.41Å; N181-V183 PolarHBondContact O-N 3.32Å
182E97.9Very high98.3Very high177 Ų17759.6 Ų59.683%0.82728%0.283SS*.THydrogen-bonded Turntrans56.933.7-179.2-55-176.7162.900113.9D178 T179 K180D178-E182 PolarHBondContact O-N 3.39Å; D178-E182 VanDerWaalsContact O-N 3.15Å; T179-E182 PolarHBondContact O-N 3.1Å; T179-E182 VanDerWaalsContact O-N 3.15Å; K180-E182 VanDerWaalsContact C-N 3.33Å
183V98.4Very high98.2Very high30 Ų3060.3 Ų60.318%0.18229%0.288CS..  trans-1201.5-178.1-65.60000113.5D178 N181 E185 R186 E187D178-V183 HydrophobicContact CB-CG2 4.09Å; D178-V183 PolarHBondContact O-N 3.38Å; N181-V183 HydrophobicContact CB-CG2 3.93Å; N181-V183 WeakPolarHBondContact O-CG1 3.41Å; N181-V183 PolarHBondContact O-N 3.32Å; V183-E185 VanDerWaalsContact C-N 3.32Å; V183-E185 PolarHBondContact O-N 2.9Å; V183-R186 VanDerWaalsContact CG1-NH2 3.3Å; V183-R186 WeakPolarHBondContact O-CB 3.35Å; V183-R186 PolarHBondContact O-N 3.49Å; V183-E187 HydrophobicContact CB-CG 4.3Å; V183-E187 HydrophobicContact CG2-CG 4.01Å; V183-E187 WeakPolarHBondContact O-CG 3.39Å; V183-E187 PolarHBondContact O-N 3.42Å
184H98.6Very high98.2Very high17 Ų1757.1 Ų57.18%0.07927%0.273CS..THydrogen-bonded Turntrans-56.6-40.7-171.265.2-77000113.6F103 D178 T179 R186 E187 G188 W189 N191F103-H184 AromaticContact CD1-CE1 3.99Å; F103-H184 AromaticContact CE1-CD2 3.83Å; F103-H184 AromaticContact CE1-CE1 3.75Å; F103-H184 AromaticContact CE1-NE2 3.52Å; F103-H184 AromaticContact CZ-NE2 3.95Å; D178-H184 HydrophobicContact CB-CB 3.9Å; D178-H184 PolarHBondContact O-N 3.07Å; T179-H184 HydrophobicContact CG2-CB 3.92Å; H184-R186 PolarHBondContact O-N 3.18Å; H184-E187 CarbonylContact O-C 3.56Å; H184-E187 PolarHBondContact O-N 3.16Å; H184-G188 PolarHBondContact O-N 3.15Å; H184-G188 VanDerWaalsContact O-N 3.16Å; H184-W189 HydrophobicContact CB-CB 4.03Å; H184-W189 HydrophobicContact CB-CG 4.35Å; H184-W189 WeakPolarHBondContact O-CB 3.45Å; H184-W189 PolarHBondContact O-N 3.36Å; H184-N191 PolarHBondContact NE2-OD1 3.3Å
185E98.1Very high98.1Very high123 Ų12353.5 Ų53.558%0.57526%0.258SS*.THydrogen-bonded Turntrans-64.4-41.5177-58.9-172.5-11600111.9V183 E187 G188 N191V183-E185 VanDerWaalsContact C-N 3.32Å; V183-E185 PolarHBondContact O-N 2.9Å; E185-E187 VanDerWaalsContact C-N 3.29Å; E185-E187 PolarHBondContact O-N 3.36Å; E185-G188 PolarHBondContact O-N 3Å; E185-N191 WeakPolarHBondContact CG-OD1 3.35Å; E185-N191 PolarHBondContact OE1-OD1 3.23Å; E185-N191 PolarHBondContact OE2-ND2 2.9Å
186R98.1Very high98.1Very high190 Ų19053.5 Ų53.572%0.71726%0.258SS*.THydrogen-bonded Turntrans-66.1-34.8176.6-172.4-175.670.1-160-0.6111.7V183 H184 G188V183-R186 VanDerWaalsContact CG1-NH2 3.3Å; V183-R186 WeakPolarHBondContact O-CB 3.35Å; V183-R186 PolarHBondContact O-N 3.49Å; H184-R186 PolarHBondContact O-N 3.18Å; R186-G188 PolarHBondContact O-N 2.96Å
187E98.5Very high98.1Very high74 Ų7452.8 Ų52.835%0.34625%0.253SS..THydrogen-bonded Turntrans-771.3174.5-61.7-66.7126.700112.7K174 D178 V183 H184 E185K174-E187 IonicContact NZ-OE2 3.78Å; K174-E187 PolarHBondContact NZ-OE2 2.77Å; D178-E187 HydrophobicContact CB-CG 4.43Å; V183-E187 HydrophobicContact CB-CG 4.3Å; V183-E187 HydrophobicContact CG2-CG 4.01Å; V183-E187 WeakPolarHBondContact O-CG 3.39Å; V183-E187 PolarHBondContact O-N 3.42Å; H184-E187 CarbonylContact O-C 3.56Å; H184-E187 PolarHBondContact O-N 3.16Å; E185-E187 VanDerWaalsContact C-N 3.29Å; E185-E187 PolarHBondContact O-N 3.36Å
188G98.4Very high98.1Very high14 Ų1448.3 Ų48.314%0.14423%0.232CC..THydrogen-bonded Turntrans91.411.2172.300000115.1C150 S151 L154 H184 E185 R186C150-G188 CarbonylContact C-O 3.56Å; C150-G188 VanDerWaalsContact CA-O 3.25Å; C150-G188 WeakPolarHBondContact CA-O 3.21Å; S151-G188 PolarHBondContact N-O 2.67Å; L154-G188 WeakPolarHBondContact CD1-O 3.37Å; H184-G188 PolarHBondContact O-N 3.15Å; H184-G188 VanDerWaalsContact O-N 3.16Å; E185-G188 PolarHBondContact O-N 3Å; R186-G188 PolarHBondContact O-N 2.96Å
189W98.7Very high98.1Very high6 Ų647.8 Ų47.82%0.02323%0.229CC..  trans-84.6150.1178.9-62.4105.8000112.8L154 F158 L171 M172 K174 F175 D178 H184 V196L154-W189 HydrophobicContact CD1-CD2 3.75Å; L154-W189 HydrophobicContact CD1-CE3 3.86Å; L154-W189 HydrophobicContact CD1-CG 4.22Å; L154-W189 HydrophobicContact CD1-CH2 4.44Å; L154-W189 HydrophobicContact CD1-CZ2 4.36Å; L154-W189 HydrophobicContact CD1-CZ3 4.21Å; L154-W189 HydrophobicContact CD2-CH2 3.84Å; L154-W189 HydrophobicContact CD2-CZ2 3.9Å; L154-W189 HydrophobicContact CD2-CZ3 4.24Å; F158-W189 HydrophobicContact CE2-CH2 4.21Å; F158-W189 AromaticContact CE2-CZ3 3.76Å; F158-W189 HydrophobicContact CE2-CZ3 3.76Å; F158-W189 AromaticContact CZ-CH2 3.81Å; F158-W189 HydrophobicContact CZ-CH2 3.81Å; F158-W189 AromaticContact CZ-CZ3 3.63Å; F158-W189 HydrophobicContact CZ-CZ3 3.63Å; L171-W189 HydrophobicContact CB-CH2 4.27Å; L171-W189 HydrophobicContact CD2-CH2 4.44Å; L171-W189 WeakPolarHBondContact O-CH2 3.4Å; L171-W189 WeakPolarHBondContact O-CZ2 3.48Å; M172-W189 HydrophobicContact CE-CH2 4.28Å; M172-W189 HydrophobicContact CE-CZ3 4.28Å; K174-W189 HydrophobicContact CG-CZ2 4.35Å; F175-W189 HydrophobicContact CB-CD2 3.95Å; F175-W189 HydrophobicContact CB-CE3 4.08Å; F175-W189 HydrophobicContact CB-CH2 3.98Å; F175-W189 HydrophobicContact CB-CZ2 3.84Å; F175-W189 HydrophobicContact CB-CZ3 4.1Å; F175-W189 HydrophobicContact CD2-CB 3.74Å; F175-W189 AromaticContact CD2-CD2 3.61Å; F175-W189 HydrophobicContact CD2-CD2 3.61Å; F175-W189 AromaticContact CD2-CE3 3.86Å; F175-W189 HydrophobicContact CD2-CE3 3.86Å; F175-W189 AromaticContact CD2-CG 3.57Å; F175-W189 HydrophobicContact CD2-CG 3.57Å; F175-W189 HydrophobicContact CE2-CB 3.95Å; F175-W189 HydrophobicContact CE2-CG 4.29Å; F175-W189 HydrophobicContact CG-CD2 4.19Å; F175-W189 HydrophobicContact CG-CE3 4.24Å; D178-W189 PolarHBondContact OD2-NE1 2.88Å; H184-W189 HydrophobicContact CB-CB 4.03Å; H184-W189 HydrophobicContact CB-CG 4.35Å; H184-W189 WeakPolarHBondContact O-CB 3.45Å; H184-W189 PolarHBondContact O-N 3.36Å; W189-V196 HydrophobicContact CE3-CG1 4.37Å; W189-V196 HydrophobicContact CZ3-CG1 4.18Å
190P97.8Very high98.1Very high8 Ų847.5 Ų47.55%0.05223%0.228CC..  trans-79.515717535.3-38.2000112.2A146 N149 S192 V196A146-P190 HydrophobicContact CB-CG 4.06Å; A146-P190 WeakPolarHBondContact O-CG 3.36Å; N149-P190 HydrophobicContact CB-CB 3.72Å; P190-S192 PolarHBondContact O-N 2.72Å; P190-V196 HydrophobicContact CG-CG2 3.52Å
191N96.1Very high98.2Very high91 Ų9143.6 Ų43.649%0.48721%0.211SC..SBendtrans-7948.3175.8-71.7-40.7000113.7H184 E185H184-N191 PolarHBondContact NE2-OD1 3.3Å; E185-N191 WeakPolarHBondContact CG-OD1 3.35Å; E185-N191 PolarHBondContact OE1-OD1 3.23Å; E185-N191 PolarHBondContact OE2-ND2 2.9Å
192S96.6Very high98.2Very high31 Ų3139.4 Ų39.422%0.21719%0.188CC..  trans-148.194-179.7-177.20000111.7P190 Y194 G195 V196P190-S192 PolarHBondContact O-N 2.72Å; S192-Y194 VanDerWaalsContact C-N 3.27Å; S192-Y194 PolarHBondContact O-N 3.03Å; S192-G195 PolarHBondContact O-N 3.46Å; S192-G195 VanDerWaalsContact O-N 3.09Å; S192-G195 PolarHBondContact OG-N 3.33Å; S192-G195 VanDerWaalsContact OG-N 3.1Å; S192-V196 WeakPolarHBondContact O-CG2 3.17Å; S192-V196 PolarHBondContact O-N 3.02Å
193P97.7Very high98.3Very high15 Ų1531.1 Ų31.110%0.09715%0.15CC..Hα-helixtrans-65.4-34.1-178.8-16.628.5000112.6F103 A107 F175 S197F103-P193 HydrophobicContact CD2-CG 4.04Å; F103-P193 HydrophobicContact CE1-CG 4.2Å; F103-P193 VanDerWaalsContact CE2-CD 3.42Å; F103-P193 HydrophobicContact CE2-CG 3.53Å; F103-P193 HydrophobicContact CZ-CG 3.6Å; A107-P193 HydrophobicContact CB-CB 3.8Å; A107-P193 HydrophobicContact CB-CG 4.05Å; F175-P193 HydrophobicContact CE1-CB 4.05Å; F175-P193 HydrophobicContact CZ-CB 4.17Å; F175-P193 HydrophobicContact CZ-CG 4.4Å; P193-S197 WeakPolarHBondContact O-CB 3.36Å; P193-S197 PolarHBondContact O-N 3.21Å
194Y98Very high98.3Very high44 Ų4429.7 Ų29.717%0.17314%0.141CC..Hα-helixtrans-60.9-49.3170.3-179.8-100.1000111.6A94 T110 Q142 S192 V196 S197 K198 M235A94-Y194 HydrophobicContact CB-CD2 3.6Å; A94-Y194 HydrophobicContact CB-CE2 3.9Å; A94-Y194 HydrophobicContact CB-CG 4.28Å; T110-Y194 HydrophobicContact CG2-CD2 4.45Å; Q142-Y194 HydrophobicContact CB-CD1 4.18Å; Q142-Y194 HydrophobicContact CB-CE1 4.15Å; Q142-Y194 HydrophobicContact CG-CD1 4.3Å; Q142-Y194 HydrophobicContact CG-CE1 4.18Å; S192-Y194 VanDerWaalsContact C-N 3.27Å; S192-Y194 PolarHBondContact O-N 3.03Å; Y194-V196 PolarHBondContact O-N 2.84Å; Y194-S197 PolarHBondContact O-N 3.08Å; Y194-S197 PolarHBondContact O-OG 2.88Å; Y194-K198 HydrophobicContact CD1-CG 4.4Å; Y194-K198 HydrophobicContact CE1-CG 3.98Å; Y194-K198 HydrophobicContact CE2-CD 4.38Å; Y194-K198 HydrophobicContact CE2-CG 4.1Å; Y194-K198 WeakPolarHBondContact O-CG 3.39Å; Y194-K198 PolarHBondContact O-N 3.08Å; Y194-K198 WeakPolarHBondContact OH-CE 3.25Å; Y194-M235 HydrophobicContact CE2-SD 4.44Å
195G98.3Very high98.3Very high0 Ų028.9 Ų28.90%014%0.137CC..Hα-helixtrans-57.1-47.6177.200000112.5A146 S192 S197 K198 L199A146-G195 VanDerWaalsContact CB-C 3.44Å; S192-G195 PolarHBondContact O-N 3.46Å; S192-G195 VanDerWaalsContact O-N 3.09Å; S192-G195 PolarHBondContact OG-N 3.33Å; S192-G195 VanDerWaalsContact OG-N 3.1Å; G195-S197 PolarHBondContact O-N 3.49Å; G195-K198 PolarHBondContact O-N 2.79Å; G195-L199 WeakPolarHBondContact O-CB 3.48Å; G195-L199 PolarHBondContact O-N 3.22Å
196V98.8Very high98.3Very high0 Ų024.9 Ų24.90%012%0.117CC..Hα-helixtrans-62.7-41.1176.7178.60000111.5M172 F175 W189 P190 S192 Y194 K198 L199 G200M172-V196 HydrophobicContact CE-CG1 4.01Å; M172-V196 HydrophobicContact SD-CG1 4.09Å; F175-V196 HydrophobicContact CB-CG1 4.24Å; F175-V196 HydrophobicContact CD1-CB 4.05Å; F175-V196 HydrophobicContact CD1-CG1 3.59Å; F175-V196 HydrophobicContact CD1-CG2 4.45Å; F175-V196 HydrophobicContact CD2-CG1 4.28Å; F175-V196 HydrophobicContact CD2-CG2 4.26Å; F175-V196 HydrophobicContact CE1-CB 3.86Å; F175-V196 HydrophobicContact CE1-CG1 3.95Å; F175-V196 HydrophobicContact CE1-CG2 4.12Å; F175-V196 HydrophobicContact CE2-CG2 3.91Å; F175-V196 HydrophobicContact CG-CB 4.45Å; F175-V196 HydrophobicContact CG-CG1 3.76Å; F175-V196 HydrophobicContact CZ-CB 4.1Å; F175-V196 HydrophobicContact CZ-CG1 4.44Å; F175-V196 HydrophobicContact CZ-CG2 3.84Å; W189-V196 HydrophobicContact CE3-CG1 4.37Å; W189-V196 HydrophobicContact CZ3-CG1 4.18Å; P190-V196 HydrophobicContact CG-CG2 3.52Å; S192-V196 WeakPolarHBondContact O-CG2 3.17Å; S192-V196 PolarHBondContact O-N 3.02Å; Y194-V196 PolarHBondContact O-N 2.84Å; V196-K198 VanDerWaalsContact C-N 3.29Å; V196-K198 PolarHBondContact O-N 3.26Å; V196-L199 WeakPolarHBondContact O-CB 3.41Å; V196-L199 PolarHBondContact O-N 3.05Å; V196-G200 PolarHBondContact O-N 3.38Å
197S98.8Very high98.3Very high0 Ų016.4 Ų16.40%09%0.086CC..Hα-helixtrans-61.5-38.1176.780.90000112.5N114 P193 Y194 G195 G200 V201N114-S197 WeakPolarHBondContact CB-OG 3.32Å; N114-S197 PolarHBondContact ND2-OG 2.8Å; P193-S197 WeakPolarHBondContact O-CB 3.36Å; P193-S197 PolarHBondContact O-N 3.21Å; Y194-S197 PolarHBondContact O-N 3.08Å; Y194-S197 PolarHBondContact O-OG 2.88Å; G195-S197 PolarHBondContact O-N 3.49Å; S197-G200 PolarHBondContact O-N 3.47Å; S197-V201 WeakPolarHBondContact O-CG2 3.26Å; S197-V201 PolarHBondContact O-N 2.73Å
198K98.7Very high98.4Very high4 Ų412.9 Ų12.92%0.0177%0.069CC..Hα-helixtrans-78.1-31.6178.5-64-47.7-162.61710112.3I138 S139 C143 Y194 G195 V196 G200 V201 T202I138-K198 PolarHBondContact O-NZ 3.34Å; S139-K198 PolarHBondContact OG-O 3.42Å; C143-K198 HydrophobicContact CB-CB 4.04Å; Y194-K198 HydrophobicContact CD1-CG 4.4Å; Y194-K198 HydrophobicContact CE1-CG 3.98Å; Y194-K198 HydrophobicContact CE2-CD 4.38Å; Y194-K198 HydrophobicContact CE2-CG 4.1Å; Y194-K198 WeakPolarHBondContact O-CG 3.39Å; Y194-K198 PolarHBondContact O-N 3.08Å; Y194-K198 WeakPolarHBondContact OH-CE 3.25Å; G195-K198 PolarHBondContact O-N 2.79Å; V196-K198 VanDerWaalsContact C-N 3.29Å; V196-K198 PolarHBondContact O-N 3.26Å; K198-G200 VanDerWaalsContact C-N 3.33Å; K198-V201 PolarHBondContact O-N 2.98Å; K198-T202 PolarHBondContact O-N 3.28Å; K198-T202 PolarHBondContact O-OG1 2.86Å; K198-T202 VanDerWaalsContact O-OG1 3.1Å
199L98.7Very high98.3Very high0 Ų012.4 Ų12.40%06%0.064CC..Hα-helixtrans-55.6-48.9164.6164.357.8000110.4C143 F147 F158 G195 V196 V201 T202 V203 W277C143-L199 HydrophobicContact CB-CB 4.21Å; F147-L199 HydrophobicContact CB-CD1 4.28Å; F147-L199 HydrophobicContact CD2-CD1 4.1Å; F158-L199 HydrophobicContact CB-CD1 4.18Å; F158-L199 HydrophobicContact CD1-CD1 4.15Å; F158-L199 HydrophobicContact CD1-CG 4.4Å; F158-L199 HydrophobicContact CD2-CD1 4.17Å; F158-L199 HydrophobicContact CD2-CD2 3.83Å; F158-L199 HydrophobicContact CD2-CG 4.34Å; F158-L199 HydrophobicContact CE1-CG 4.39Å; F158-L199 HydrophobicContact CE2-CD2 3.69Å; F158-L199 HydrophobicContact CE2-CG 4.34Å; F158-L199 HydrophobicContact CG-CD1 3.91Å; F158-L199 HydrophobicContact CG-CD2 4.36Å; F158-L199 HydrophobicContact CG-CG 4.38Å; F158-L199 HydrophobicContact CZ-CD2 4.09Å; F158-L199 HydrophobicContact CZ-CG 4.37Å; G195-L199 WeakPolarHBondContact O-CB 3.48Å; G195-L199 PolarHBondContact O-N 3.22Å; V196-L199 WeakPolarHBondContact O-CB 3.41Å; V196-L199 PolarHBondContact O-N 3.05Å; L199-V201 PolarHBondContact O-N 3Å; L199-T202 PolarHBondContact O-N 3.4Å; L199-V203 HydrophobicContact CD1-CG2 3.89Å; L199-V203 WeakPolarHBondContact O-CG2 3.3Å; L199-V203 PolarHBondContact O-N 3.25Å; L199-W277 HydrophobicContact CD1-CH2 3.33Å; L199-W277 HydrophobicContact CD1-CZ2 3.64Å
200G98.8Very high98.3Very high0 Ų015 Ų150%07%0.073CC..Hα-helixtrans-56-45.9172.700000113.4V196 S197 K198 T202 V203 L204V196-G200 PolarHBondContact O-N 3.38Å; S197-G200 PolarHBondContact O-N 3.47Å; K198-G200 VanDerWaalsContact C-N 3.33Å; G200-T202 PolarHBondContact O-N 3.47Å; G200-V203 PolarHBondContact O-N 2.91Å; G200-L204 WeakPolarHBondContact O-CB 3.36Å; G200-L204 PolarHBondContact O-N 2.96Å
201V98.9Very high98.3Very high2 Ų217.8 Ų17.81%0.0128%0.083CC..Hα-helixtrans-62.7-42.6178.1171.70000112N114 N137 S197 K198 L199 S205N114-V201 WeakPolarHBondContact O-CG2 3.28Å; N137-V201 HydrophobicContact CB-CG1 3.85Å; S197-V201 WeakPolarHBondContact O-CG2 3.26Å; S197-V201 PolarHBondContact O-N 2.73Å; K198-V201 PolarHBondContact O-N 2.98Å; L199-V201 PolarHBondContact O-N 3Å; V201-S205 WeakPolarHBondContact O-CB 3.35Å; V201-S205 PolarHBondContact O-N 3.1Å; V201-S205 PolarHBondContact O-OG 2.98Å
202T98.8Very high98.4Very high1 Ų114 Ų141%0.0066%0.063CC..Hα-helixtrans-64.5-48.3178.6-59.80000111.2S139 C143 K198 L199 G200 L204 S205 R206 A225 L268 W277S139-T202 WeakPolarHBondContact CB-OG1 3.18Å; S139-T202 PolarHBondContact OG-OG1 3.32Å; C143-T202 PolarHBondContact SG-OG1 2.91Å; C143-T202 VanDerWaalsContact SG-OG1 3.4Å; K198-T202 PolarHBondContact O-N 3.28Å; K198-T202 PolarHBondContact O-OG1 2.86Å; K198-T202 VanDerWaalsContact O-OG1 3.1Å; L199-T202 PolarHBondContact O-N 3.4Å; G200-T202 PolarHBondContact O-N 3.47Å; T202-L204 PolarHBondContact O-N 3.48Å; T202-S205 WeakPolarHBondContact O-CB 3.06Å; T202-S205 PolarHBondContact O-N 2.88Å; T202-S205 VanDerWaalsContact O-N 3.14Å; T202-R206 PolarHBondContact O-N 3.4Å; T202-R206 VanDerWaalsContact O-N 3.14Å; T202-A225 HydrophobicContact CG2-CB 4.33Å; T202-L268 HydrophobicContact CG2-CB 4.08Å; T202-L268 HydrophobicContact CG2-CD1 4.37Å; T202-W277 HydrophobicContact CG2-CD2 4.23Å; T202-W277 HydrophobicContact CG2-CE3 3.62Å; T202-W277 HydrophobicContact CG2-CH2 3.82Å; T202-W277 HydrophobicContact CG2-CZ2 4.45Å; T202-W277 HydrophobicContact CG2-CZ3 3.39Å
203V98.8Very high98.3Very high3 Ų316.2 Ų16.22%0.0187%0.072CC..Hα-helixtrans-65.9-39.6178.7-178.20000111.3F158 L163 L168 L199 G200 S205 R206 I207 W277F158-V203 HydrophobicContact CB-CG2 4.3Å; F158-V203 HydrophobicContact CD1-CG2 4.01Å; L163-V203 HydrophobicContact CD2-CG1 3.65Å; L168-V203 HydrophobicContact CD1-CB 4.08Å; L168-V203 HydrophobicContact CD1-CG1 3.96Å; L168-V203 HydrophobicContact CD2-CB 4Å; L168-V203 HydrophobicContact CD2-CG1 3.91Å; L168-V203 HydrophobicContact CG-CG1 4.47Å; L199-V203 HydrophobicContact CD1-CG2 3.89Å; L199-V203 WeakPolarHBondContact O-CG2 3.3Å; L199-V203 PolarHBondContact O-N 3.25Å; G200-V203 PolarHBondContact O-N 2.91Å; V203-S205 PolarHBondContact O-N 2.75Å; V203-R206 WeakPolarHBondContact O-CB 3.4Å; V203-R206 PolarHBondContact O-N 2.77Å; V203-I207 HydrophobicContact CG1-CD1 4.07Å; V203-I207 WeakPolarHBondContact O-CG1 3.49Å; V203-I207 PolarHBondContact O-N 3.04Å; V203-W277 HydrophobicContact CG2-CH2 3.99Å; V203-W277 HydrophobicContact CG2-CZ2 3.35Å
204L98.9Very high98.3Very high0 Ų022.6 Ų22.60%010%0.101CC..Hα-helixtrans-56.6-43.5173178.463.6000110.6F115 R119 E165 L168 G200 T202 R206 I207 L208F115-L204 HydrophobicContact CE2-CB 4.25Å; F115-L204 HydrophobicContact CE2-CD2 4.45Å; R119-L204 HydrophobicContact CB-CD2 3.86Å; R119-L204 HydrophobicContact CG-CD2 4.38Å; E165-L204 HydrophobicContact CG-CD1 4.07Å; L168-L204 HydrophobicContact CD2-CB 3.91Å; G200-L204 WeakPolarHBondContact O-CB 3.36Å; G200-L204 PolarHBondContact O-N 2.96Å; T202-L204 PolarHBondContact O-N 3.48Å; L204-R206 VanDerWaalsContact C-N 3.31Å; L204-R206 PolarHBondContact O-N 3.26Å; L204-I207 PolarHBondContact O-N 3.4Å; L204-L208 HydrophobicContact CD1-CD1 4.14Å; L204-L208 HydrophobicContact CD1-CD2 4.34Å; L204-L208 HydrophobicContact CD1-CG 4.02Å; L204-L208 HydrophobicContact CD2-CD1 4.41Å; L204-L208 HydrophobicContact CG-CD1 3.83Å; L204-L208 HydrophobicContact CG-CG 4.15Å; L204-L208 WeakPolarHBondContact O-CB 3.49Å; L204-L208 WeakPolarHBondContact O-CG 3.39Å; L204-L208 PolarHBondContact O-N 2.88Å
205S98.8Very high98.2Very high0 Ų028.1 Ų28.10%013%0.126CC..Hα-helixtrans-63.6-38.2-179.4-54.20000111.8N137 V201 T202 V203 L208 A209N137-S205 WeakPolarHBondContact CB-OG 3.47Å; N137-S205 PolarHBondContact ND2-OG 2.79Å; V201-S205 WeakPolarHBondContact O-CB 3.35Å; V201-S205 PolarHBondContact O-N 3.1Å; V201-S205 PolarHBondContact O-OG 2.98Å; T202-S205 WeakPolarHBondContact O-CB 3.06Å; T202-S205 PolarHBondContact O-N 2.88Å; T202-S205 VanDerWaalsContact O-N 3.14Å; V203-S205 PolarHBondContact O-N 2.75Å; S205-L208 PolarHBondContact O-N 3.03Å; S205-A209 WeakPolarHBondContact O-CB 3.41Å; S205-A209 PolarHBondContact O-N 3.38Å
206R98.7Very high98.2Very high40 Ų4031.1 Ų31.115%0.15114%0.137CC..Hα-helixtrans-61.6-47.8171.8-65.6172.265.776.4-5.4111.8T202 V203 L204 L208 A209 R210 G266 W277T202-R206 PolarHBondContact O-N 3.4Å; T202-R206 VanDerWaalsContact O-N 3.14Å; V203-R206 WeakPolarHBondContact O-CB 3.4Å; V203-R206 PolarHBondContact O-N 2.77Å; L204-R206 VanDerWaalsContact C-N 3.31Å; L204-R206 PolarHBondContact O-N 3.26Å; R206-L208 PolarHBondContact O-N 3.36Å; R206-A209 PolarHBondContact O-N 3.33Å; R206-R210 WeakPolarHBondContact O-CG 3.29Å; R206-R210 PolarHBondContact O-N 3.3Å; R206-R210 VanDerWaalsContact O-N 3.11Å; R206-G266 VanDerWaalsContact CG-O 3.29Å; R206-G266 WeakPolarHBondContact CG-O 3.14Å; R206-W277 VanDerWaalsContact CZ-CD1 3.46Å
207I98.8Very high98Very high12 Ų1238.9 Ų38.96%0.06217%0.171CC..Hα-helixtrans-60.7-45.8178.2-66.8165.6000111L163 E165 L168 V203 L204 A209 R210 R211L163-I207 HydrophobicContact CD2-CD1 4.44Å; E165-I207 HydrophobicContact CB-CG2 4.15Å; L168-I207 HydrophobicContact CB-CD1 3.96Å; L168-I207 HydrophobicContact CD2-CD1 3.7Å; L168-I207 HydrophobicContact CG-CD1 4.45Å; V203-I207 HydrophobicContact CG1-CD1 4.07Å; V203-I207 WeakPolarHBondContact O-CG1 3.49Å; V203-I207 PolarHBondContact O-N 3.04Å; L204-I207 PolarHBondContact O-N 3.4Å; I207-A209 PolarHBondContact O-N 2.98Å; I207-R210 PolarHBondContact O-N 2.9Å; I207-R211 WeakPolarHBondContact O-CB 3.5Å; I207-R211 PolarHBondContact O-N 3.26Å
208L98.6Very high97.9Very high0 Ų043.3 Ų43.30%021%0.207CC..Hα-helixtrans-64.6-39.8-178.8-68.2176.5000112C122 L126 L204 S205 R206 R211 L212 V223C122-L208 HydrophobicContact CB-CD1 3.79Å; L126-L208 HydrophobicContact CD1-CB 4.46Å; L126-L208 HydrophobicContact CD1-CD1 4.04Å; L126-L208 HydrophobicContact CD1-CD2 3.59Å; L126-L208 HydrophobicContact CD1-CG 4.22Å; L204-L208 HydrophobicContact CD1-CD1 4.14Å; L204-L208 HydrophobicContact CD1-CD2 4.34Å; L204-L208 HydrophobicContact CD1-CG 4.02Å; L204-L208 HydrophobicContact CD2-CD1 4.41Å; L204-L208 HydrophobicContact CG-CD1 3.83Å; L204-L208 HydrophobicContact CG-CG 4.15Å; L204-L208 WeakPolarHBondContact O-CB 3.49Å; L204-L208 WeakPolarHBondContact O-CG 3.39Å; L204-L208 PolarHBondContact O-N 2.88Å; S205-L208 PolarHBondContact O-N 3.03Å; R206-L208 PolarHBondContact O-N 3.36Å; L208-R211 PolarHBondContact O-N 3.4Å; L208-L212 WeakPolarHBondContact O-CG 3.27Å; L208-L212 PolarHBondContact O-N 3.11Å; L208-V223 HydrophobicContact CB-CG1 4.24Å
209A98.3Very high97.8Very high3 Ų345 Ų453%0.02522%0.217CC..Hα-helixtrans-61.1-51.2174.800000111.6S205 R206 I207 R211 L212 D213 Q265S205-A209 WeakPolarHBondContact O-CB 3.41Å; S205-A209 PolarHBondContact O-N 3.38Å; R206-A209 PolarHBondContact O-N 3.33Å; I207-A209 PolarHBondContact O-N 2.98Å; A209-R211 VanDerWaalsContact C-N 3.3Å; A209-R211 PolarHBondContact O-N 2.97Å; A209-L212 PolarHBondContact O-N 2.7Å; A209-L212 VanDerWaalsContact O-N 3.07Å; A209-D213 PolarHBondContact O-N 3.3Å; A209-Q265 HydrophobicContact CB-CG 4Å
210R97.8Very high97.7Very high60 Ų6050.9 Ų50.923%0.22624%0.239CC..Hα-helixtrans-55.6-45.5175.4-67.6-170.1-55.8-111.411.1112E161 L163 R206 I207 L212 D213 E214E161-R210 WeakPolarHBondContact O-CD 3.42Å; E161-R210 PolarHBondContact O-NE 3.07Å; E161-R210 PolarHBondContact O-NH1 3.22Å; E161-R210 PolarHBondContact O-NH2 3.37Å; L163-R210 PolarHBondContact O-NH2 2.84Å; R206-R210 WeakPolarHBondContact O-CG 3.29Å; R206-R210 PolarHBondContact O-N 3.3Å; R206-R210 VanDerWaalsContact O-N 3.11Å; I207-R210 PolarHBondContact O-N 2.9Å; R210-L212 VanDerWaalsContact C-N 3.29Å; R210-L212 PolarHBondContact O-N 3.13Å; R210-D213 PolarHBondContact O-N 3.26Å; R210-D213 VanDerWaalsContact O-N 3.16Å; R210-E214 WeakPolarHBondContact O-CG 3.23Å; R210-E214 PolarHBondContact O-N 2.92Å
211R97.7Very high97.7Very high67 Ų6751.1 Ų51.125%0.25324%0.24SC..Hα-helixtrans-60.9-36.6178.4-174.8173.475.4-172.25112.7E165 I207 L208 A209 K215E165-R211 IonicContact OE2-CZ 2.71Å; E165-R211 IonicContact OE2-NH1 2.71Å; E165-R211 PolarHBondContact OE2-NH1 3.26Å; I207-R211 WeakPolarHBondContact O-CB 3.5Å; I207-R211 PolarHBondContact O-N 3.26Å; L208-R211 PolarHBondContact O-N 3.4Å; A209-R211 VanDerWaalsContact C-N 3.3Å; A209-R211 PolarHBondContact O-N 2.97Å; R211-K215 HydrophobicContact CG-CD 4.09Å; R211-K215 WeakPolarHBondContact O-CB 2.98Å; R211-K215 WeakPolarHBondContact O-CG 3.49Å; R211-K215 PolarHBondContact O-N 2.9Å
212L97.5Very high97.7Very high11 Ų1151.3 Ų51.36%0.05824%0.241CC..Hα-helixtrans-72-39.8175.5-74.5168.5000111.6L208 A209 R210 E214 K215 R216 K217 I221 V223L208-L212 WeakPolarHBondContact O-CG 3.27Å; L208-L212 PolarHBondContact O-N 3.11Å; A209-L212 PolarHBondContact O-N 2.7Å; A209-L212 VanDerWaalsContact O-N 3.07Å; R210-L212 VanDerWaalsContact C-N 3.29Å; R210-L212 PolarHBondContact O-N 3.13Å; L212-E214 PolarHBondContact O-N 2.82Å; L212-K215 PolarHBondContact O-N 3.14Å; L212-R216 HydrophobicContact CD2-CB 4.08Å; L212-R216 HydrophobicContact CD2-CG 4.37Å; L212-R216 CarbonylContact O-C 3.54Å; L212-R216 VanDerWaalsContact O-CA 3.28Å; L212-R216 WeakPolarHBondContact O-CA 3.44Å; L212-R216 PolarHBondContact O-N 2.76Å; L212-K217 PolarHBondContact O-N 3.36Å; L212-K217 VanDerWaalsContact O-N 3.08Å; L212-I221 HydrophobicContact CD1-CB 4.15Å; L212-I221 HydrophobicContact CD1-CG2 3.73Å; L212-I221 HydrophobicContact CD2-CB 4.46Å; L212-I221 HydrophobicContact CD2-CD1 4.35Å; L212-V223 HydrophobicContact CD1-CB 4.48Å; L212-V223 HydrophobicContact CD1-CG2 3.21Å
213D95.5Very high97.7Very high78 Ų7851.2 Ų51.242%0.41724%0.241SC..Hα-helixtrans-64-31.8175.6-68.8-17000112A209 R210 K217 Q265A209-D213 PolarHBondContact O-N 3.3Å; R210-D213 PolarHBondContact O-N 3.26Å; R210-D213 VanDerWaalsContact O-N 3.16Å; D213-K217 WeakPolarHBondContact O-CB 3.4Å; D213-Q265 PolarHBondContact OD1-NE2 3.23Å
214E96.2Very high97.7Very high149 Ų14951.2 Ų51.270%0.69624%0.24SC*.Hα-helixtrans-75.9-46.6174.4-72.2169.7-173.800112.8R210 L212R210-E214 WeakPolarHBondContact O-CG 3.23Å; R210-E214 PolarHBondContact O-N 2.92Å; L212-E214 PolarHBondContact O-N 2.82Å
215K97.1Very high97.7Very high161 Ų16151.3 Ų51.370%0.724%0.241SC*.Hα-helixtrans-102.4-23.8-166.3-61.4-173.2-180-174.30114.8R211 L212R211-K215 HydrophobicContact CG-CD 4.09Å; R211-K215 WeakPolarHBondContact O-CB 2.98Å; R211-K215 WeakPolarHBondContact O-CG 3.49Å; R211-K215 PolarHBondContact O-N 2.9Å; L212-K215 PolarHBondContact O-N 3.14Å
216R97.1Very high97.7Very high62 Ų6251.3 Ų51.323%0.23424%0.241CC..  trans-140.730-170.1-61.9-170.467.8-173.6-1112.5L126 M129 L212 A218 D219 I221L126-R216 PolarHBondContact O-NH1 2.85Å; M129-R216 PolarHBondContact O-NH1 3.2Å; M129-R216 PolarHBondContact O-NH2 3.4Å; L212-R216 HydrophobicContact CD2-CB 4.08Å; L212-R216 HydrophobicContact CD2-CG 4.37Å; L212-R216 CarbonylContact O-C 3.54Å; L212-R216 VanDerWaalsContact O-CA 3.28Å; L212-R216 WeakPolarHBondContact O-CA 3.44Å; L212-R216 PolarHBondContact O-N 2.76Å; R216-A218 VanDerWaalsContact C-N 3.25Å; R216-A218 PolarHBondContact O-N 2.97Å; R216-A218 VanDerWaalsContact O-N 3.15Å; R216-D219 HydrophobicContact CB-CB 4.32Å; R216-D219 IonicContact CZ-OD2 2.67Å; R216-D219 IonicContact NE-OD2 3.94Å; R216-D219 PolarHBondContact NE-OD2 3.26Å; R216-D219 IonicContact NH2-OD2 3.5Å; R216-D219 PolarHBondContact NH2-OD2 2.99Å; R216-D219 WeakPolarHBondContact O-CB 3.43Å; R216-D219 PolarHBondContact O-N 3.38Å; R216-I221 VanDerWaalsContact CZ-CD1 3.46Å
217K95.3Very high97.6Very high163 Ų16349.6 Ų49.671%0.70924%0.235SC*.G310 helixtrans-50.2-43-177.7-164.8170.3-179.6171.10113.8L212 D213 D219 R220L212-K217 PolarHBondContact O-N 3.36Å; L212-K217 VanDerWaalsContact O-N 3.08Å; D213-K217 WeakPolarHBondContact O-CB 3.4Å; K217-D219 PolarHBondContact O-N 2.74Å; K217-R220 PolarHBondContact O-N 2.93Å
218A96Very high97.5Very high93 Ų9349.5 Ų49.577%0.76924%0.235SC*.G310 helixtrans-65.1-24.8-17900000113R216 R220R216-A218 VanDerWaalsContact C-N 3.25Å; R216-A218 PolarHBondContact O-N 2.97Å; R216-A218 VanDerWaalsContact O-N 3.15Å; A218-R220 VanDerWaalsContact C-N 3.26Å; A218-R220 PolarHBondContact O-N 2.75Å
219D97.1Very high97.2Very high40 Ų4050 Ų5021%0.21424%0.24CC..G310 helixtrans-77.4-11.2-178.3-66.4-19.9000112.6P131 H132 R216 K217 I221P131-D219 CarbonylContact C-O 3.57Å; P131-D219 WeakPolarHBondContact CA-O 3.34Å; P131-D219 HydrophobicContact CB-CB 4.32Å; P131-D219 HydrophobicContact CG-CB 4.4Å; H132-D219 PolarHBondContact N-O 3.15Å; R216-D219 HydrophobicContact CB-CB 4.32Å; R216-D219 IonicContact CZ-OD2 2.67Å; R216-D219 IonicContact NE-OD2 3.94Å; R216-D219 PolarHBondContact NE-OD2 3.26Å; R216-D219 IonicContact NH2-OD2 3.5Å; R216-D219 PolarHBondContact NH2-OD2 2.99Å; R216-D219 WeakPolarHBondContact O-CB 3.43Å; R216-D219 PolarHBondContact O-N 3.38Å; K217-D219 PolarHBondContact O-N 2.74Å; D219-I221 VanDerWaalsContact C-N 3.26Å; D219-I221 HydrophobicContact CB-CD1 4Å; D219-I221 HydrophobicContact CB-CG1 4.05Å; D219-I221 PolarHBondContact O-N 3.28Å
220R97.1Very high96.6Very high123 Ų12352.7 Ų52.746%0.46426%0.258SS..  trans49.645.2178.2-57.6-172.3-178.8-177.5-1.4113.3H132 K217 A218H132-R220 WeakPolarHBondContact CA-O 3.42Å; K217-R220 PolarHBondContact O-N 2.93Å; A218-R220 VanDerWaalsContact C-N 3.26Å; A218-R220 PolarHBondContact O-N 2.75Å
221I98.5Very high96.1Very high5 Ų549.9 Ų49.93%0.02625%0.247CC..  trans-86.4125.5174.3-62.1167.3000108.5M129 G133 V135 L212 R216 D219 Q265M129-I221 HydrophobicContact CB-CD1 3.85Å; G133-I221 VanDerWaalsContact O-CA 3.26Å; G133-I221 WeakPolarHBondContact O-CA 3.29Å; V135-I221 HydrophobicContact CG2-CG2 4.49Å; L212-I221 HydrophobicContact CD1-CB 4.15Å; L212-I221 HydrophobicContact CD1-CG2 3.73Å; L212-I221 HydrophobicContact CD2-CB 4.46Å; L212-I221 HydrophobicContact CD2-CD1 4.35Å; R216-I221 VanDerWaalsContact CZ-CD1 3.46Å; D219-I221 VanDerWaalsContact C-N 3.26Å; D219-I221 HydrophobicContact CB-CD1 4Å; D219-I221 HydrophobicContact CB-CG1 4.05Å; D219-I221 PolarHBondContact O-N 3.28Å; I221-Q265 PolarHBondContact O-NE2 2.9Å
222L98.8Very high95.4Very high6 Ų651 Ų513%0.03126%0.255CS..EExtended strand (participates in β ladder)trans-104.8133177.7-58.3-178.5000110.7G133 R134 V135 L257 A261 Q265G133-L222 PolarHBondContact O-N 3.09Å; R134-L222 CarbonylContact C-O 3.58Å; R134-L222 WeakPolarHBondContact CA-O 3.35Å; V135-L222 PolarHBondContact N-O 3.24Å; L222-L257 HydrophobicContact CD1-CB 4.42Å; L222-L257 HydrophobicContact CD1-CD1 3.78Å; L222-A261 HydrophobicContact CD1-CB 4.21Å; L222-Q265 HydrophobicContact CD2-CB 4.08Å; L222-Q265 HydrophobicContact CD2-CG 4.43Å
223V98.8Very high94.6Very high0 Ų051.8 Ų51.80%026%0.26CS..EExtended strand (participates in β ladder)trans-124.6123.4176.8-176.50000108.4L126 V135 L208 L212 Q265 G266L126-V223 HydrophobicContact CD2-CG2 4.5Å; V135-V223 HydrophobicContact CB-CB 4.29Å; V135-V223 HydrophobicContact CB-CG1 4.13Å; V135-V223 HydrophobicContact CB-CG2 3.89Å; V135-V223 HydrophobicContact CG1-CG1 4.19Å; V135-V223 HydrophobicContact CG2-CG2 4.1Å; V135-V223 WeakPolarHBondContact O-CA 3.13Å; L208-V223 HydrophobicContact CB-CG1 4.24Å; L212-V223 HydrophobicContact CD1-CB 4.48Å; L212-V223 HydrophobicContact CD1-CG2 3.21Å; V223-Q265 PolarHBondContact O-OE1 3.33Å; V223-G266 WeakPolarHBondContact O-CA 3.48Å; V223-G266 PolarHBondContact O-N 3.07Å
224N98.9Very high93.5Very high3 Ų353.6 Ų53.62%0.01627%0.27CS..EExtended strand (participates in β ladder)trans-136.5150.1175.6-65.4-77.5000111.4V135 N137 L254 P264 Q265 G266 Q267V135-N224 PolarHBondContact O-N 3.16Å; N137-N224 PolarHBondContact N-O 2.92Å; N224-L254 HydrophobicContact CB-CD1 4Å; N224-L254 HydrophobicContact CB-CD2 4.19Å; N224-P264 PolarHBondContact ND2-O 3.43Å; N224-P264 VanDerWaalsContact OD1-C 3.28Å; N224-P264 PolarHBondContact OD1-O 2.79Å; N224-Q265 WeakPolarHBondContact OD1-CA 3.28Å; N224-Q265 PolarHBondContact OD1-N 3.1Å; N224-G266 PolarHBondContact OD1-N 2.72Å; N224-Q267 PolarHBondContact OD1-N 2.96Å
225A98.9Very high92.5Very high1 Ų149.9 Ų49.91%0.00825%0.254CS..EExtended strand (participates in β ladder)trans-88.2149.9163.300000109.5N137 T202 Q267 L268 V269N137-A225 CarbonylContact O-C 3.58Å; N137-A225 VanDerWaalsContact O-CA 3.25Å; N137-A225 WeakPolarHBondContact O-CA 3.41Å; T202-A225 HydrophobicContact CG2-CB 4.33Å; A225-Q267 PolarHBondContact N-O 3.18Å; A225-L268 HydrophobicContact CB-CD1 4.06Å; A225-L268 CarbonylContact O-C 3.43Å; A225-L268 WeakPolarHBondContact O-CA 3.46Å; A225-V269 PolarHBondContact O-N 3.28Å
226C98.8Very high91.2Very high0 Ų046.1 Ų46.10%024%0.241CC..EExtended strand (participates in β ladder)trans-145.8156.9170.566.70000114.4N137 I138 S139 T250 L254 V269N137-C226 PolarHBondContact O-N 3.3Å; I138-C226 VanDerWaalsContact CD1-SG 3.51Å; S139-C226 CarbonylContact C-O 3.51Å; S139-C226 WeakPolarHBondContact CA-O 3.49Å; S139-C226 PolarHBondContact N-O 3.32Å; C226-T250 HydrophobicContact CB-CG2 3.75Å; C226-L254 HydrophobicContact CB-CD1 3.57Å; C226-V269 CarbonylContact C-O 3.48Å; C226-V269 WeakPolarHBondContact CA-O 3.33Å; C226-V269 HydrophobicContact CB-CB 4.3Å; C226-V269 WeakPolarHBondContact CB-O 3.42Å
227C97.8Very high89.8Confident4 Ų444.6 Ų44.63%0.02725%0.245CC..EExtended strand (participates in β ladder)trans-106.6125.5168.9-177.20000110.5L141 G229 V269 H270L141-C227 HydrophobicContact CB-CB 4.49Å; L141-C227 HydrophobicContact CD2-CB 4.22Å; L141-C227 HydrophobicContact CG-CB 3.74Å; L141-C227 PolarHBondContact N-SG 2.98Å; C227-G229 PolarHBondContact O-N 3.26Å; C227-G229 PolarHBondContact SG-N 3.49Å; C227-V269 PolarHBondContact N-O 3.2Å; C227-H270 HydrophobicContact CB-CB 4.33Å; C227-H270 PolarHBondContact O-ND1 3.47Å
228P95.8Very high88.2Confident11 Ų1145.8 Ų45.87%0.07125%0.25CC..  trans-74.9-4.7176.431.7-34.9000113.3I17 I138 V231 R242 G247I17-P228 HydrophobicContact CD1-CB 3.94Å; I17-P228 HydrophobicContact CD1-CG 3.73Å; I138-P228 HydrophobicContact CG2-CG 4.22Å; P228-V231 HydrophobicContact CB-CG2 4.19Å; P228-R242 PolarHBondContact O-NH1 3.27Å; P228-G247 WeakPolarHBondContact CB-O 3.43Å
229G91.6Very high86.6Confident10 Ų1052.2 Ų52.210%0.10326%0.256CS..  trans81.1-177.7-168.500000112.3C227 V231C227-G229 PolarHBondContact O-N 3.26Å; C227-G229 PolarHBondContact SG-N 3.49Å; G229-V231 PolarHBondContact O-N 3.16Å
230P87.1Confident85.4Confident60 Ų6051 Ų5139%0.3925%0.251SS..SBendtrans-73.5114171.730.8-34000109.1S240 I241 R242P230-S240 WeakPolarHBondContact CB-OG 3.21Å; P230-S240 PolarHBondContact O-OG 3.12Å; P230-I241 HydrophobicContact CB-CG1 4.43Å; P230-I241 HydrophobicContact CG-CD1 3.86Å; P230-I241 HydrophobicContact CG-CG1 3.54Å; P230-R242 VanDerWaalsContact O-CB 3.23Å; P230-R242 WeakPolarHBondContact O-CB 3.47Å; P230-R242 WeakPolarHBondContact O-CG 3.46Å; P230-R242 PolarHBondContact O-N 3.13Å
231V86.1Confident84.8Confident0 Ų051.6 Ų51.60%026%0.262CS..BIsolated β-bridgetrans-120.9136.9-172.4-178.80000111.6I17 P228 G229 T233 D236 S240 R242 T243 V244I17-V231 HydrophobicContact CD1-CB 3.95Å; I17-V231 HydrophobicContact CD1-CG1 4.21Å; I17-V231 HydrophobicContact CD1-CG2 3.94Å; I17-V231 HydrophobicContact CG1-CB 4.13Å; I17-V231 HydrophobicContact CG1-CG1 3.81Å; I17-V231 HydrophobicContact CG1-CG2 4.2Å; P228-V231 HydrophobicContact CB-CG2 4.19Å; G229-V231 PolarHBondContact O-N 3.16Å; V231-T233 HydrophobicContact CB-CG2 4.25Å; V231-T233 HydrophobicContact CG1-CG2 3.85Å; V231-T233 PolarHBondContact O-N 3.02Å; V231-T233 PolarHBondContact O-OG1 3.22Å; V231-D236 PolarHBondContact N-OD2 3.09Å; V231-D236 VanDerWaalsContact N-OD2 3.14Å; V231-D236 WeakPolarHBondContact O-CB 3.37Å; V231-S240 VanDerWaalsContact C-OG 3.31Å; V231-S240 WeakPolarHBondContact CA-OG 3.45Å; V231-S240 PolarHBondContact N-OG 2.86Å; V231-R242 CarbonylContact C-O 3.12Å; V231-R242 HydrophobicContact CG2-CB 4.2Å; V231-T243 WeakPolarHBondContact CG1-O 3.36Å; V231-V244 HydrophobicContact CG1-CB 4.37Å; V231-V244 HydrophobicContact CG1-CG1 3.95Å
232Q82.7Confident84.3Confident92 Ų9253.4 Ų53.443%0.4327%0.268SS..THydrogen-bonded Turntrans-63.493.2176.6-68.1177.419.200110.7S240 R242 V244Q232-S240 WeakPolarHBondContact CG-O 3.45Å; Q232-S240 PolarHBondContact NE2-O 2.93Å; Q232-R242 WeakPolarHBondContact CB-O 3.32Å; Q232-R242 WeakPolarHBondContact CG-O 3.34Å; Q232-R242 PolarHBondContact N-O 2.85Å; Q232-V244 WeakPolarHBondContact O-CG1 3.45Å
233T80.7Confident84Confident26 Ų2655.8 Ų55.816%0.1628%0.283CS..THydrogen-bonded Turntrans-136.7172.2178.662.50000109.6I17 V231 M235 D236 G237 V244I17-T233 HydrophobicContact CD1-CG2 4.36Å; I17-T233 HydrophobicContact CG1-CG2 4.14Å; V231-T233 HydrophobicContact CB-CG2 4.25Å; V231-T233 HydrophobicContact CG1-CG2 3.85Å; V231-T233 PolarHBondContact O-N 3.02Å; V231-T233 PolarHBondContact O-OG1 3.22Å; T233-M235 PolarHBondContact O-N 3.15Å; T233-M235 VanDerWaalsContact O-N 3.1Å; T233-M235 WeakPolarHBondContact OG1-CB 3.3Å; T233-M235 PolarHBondContact OG1-N 3.23Å; T233-D236 PolarHBondContact OG1-N 2.88Å; T233-G237 WeakPolarHBondContact O-CA 3.34Å; T233-G237 PolarHBondContact O-N 3.04Å; T233-V244 HydrophobicContact CG2-CG1 4.02Å
234D73.3Confident83.7Confident117 Ų11757.3 Ų57.363%0.62629%0.292SS*.THydrogen-bonded Turntrans-56.9-22.6169.9-62.9-22.3000112.7R15R15-D234 IonicContact CZ-OD2 2.71Å; R15-D234 IonicContact NE-OD2 3.87Å; R15-D234 IonicContact NH1-OD2 3.35Å; R15-D234 PolarHBondContact NH1-OD2 3.44Å
235M74.9Confident83.5Confident71 Ų7161.3 Ų61.335%0.3531%0.311SS..THydrogen-bonded Turntrans-81.1-52.2-178.1-170.9176.7-73.900112.3A92 A94 Y194 T233A92-M235 HydrophobicContact CB-CE 4.4Å; A92-M235 WeakPolarHBondContact O-CE 3.49Å; A94-M235 HydrophobicContact CB-CE 4.21Å; A94-M235 HydrophobicContact CB-CG 3.81Å; A94-M235 HydrophobicContact CB-SD 3.83Å; Y194-M235 HydrophobicContact CE2-SD 4.44Å; T233-M235 PolarHBondContact O-N 3.15Å; T233-M235 VanDerWaalsContact O-N 3.1Å; T233-M235 WeakPolarHBondContact OG1-CB 3.3Å; T233-M235 PolarHBondContact OG1-N 3.23Å
236D69.8Low83.4Confident81 Ų8165.2 Ų65.243%0.43333%0.329SS..THydrogen-bonded Turntrans-93-14.1-175.7-58.6-31.1000113.2V231 T233V231-D236 PolarHBondContact N-OD2 3.09Å; V231-D236 VanDerWaalsContact N-OD2 3.14Å; V231-D236 WeakPolarHBondContact O-CB 3.37Å; T233-D236 PolarHBondContact OG1-N 2.88Å
237G68.1Low83.2Confident31 Ų3165.2 Ų65.232%0.3233%0.329SS..  trans85173.1178.800000115T233 Y239 S240T233-G237 WeakPolarHBondContact O-CA 3.34Å; T233-G237 PolarHBondContact O-N 3.04Å; G237-Y239 VanDerWaalsContact C-N 3.28Å; G237-Y239 PolarHBondContact O-N 2.87Å; G237-S240 WeakPolarHBondContact O-CB 3.08Å; G237-S240 PolarHBondContact O-N 2.92Å
238K61.8Low83.3Confident187 Ų18765.1 Ų65.181%0.81333%0.328SS*.THydrogen-bonded Turntrans-72.2-14.5-170.4-65.1-176.7177.5-177.10115S240K238-S240 VanDerWaalsContact C-N 3.33Å
239Y61.2Low83.4Confident228 Ų22869 Ų6989%0.89435%0.345SS*.THydrogen-bonded Turntrans-93.96.3-178.5-59.3-70.9000113.3G237G237-Y239 VanDerWaalsContact C-N 3.28Å; G237-Y239 PolarHBondContact O-N 2.87Å
240S72.4Confident83.7Confident15 Ų1568.7 Ų68.711%0.10534%0.342CS..  trans-67.8151.6173.6-161.10000111P230 V231 Q232 G237 K238P230-S240 WeakPolarHBondContact CB-OG 3.21Å; P230-S240 PolarHBondContact O-OG 3.12Å; V231-S240 VanDerWaalsContact C-OG 3.31Å; V231-S240 WeakPolarHBondContact CA-OG 3.45Å; V231-S240 PolarHBondContact N-OG 2.86Å; Q232-S240 WeakPolarHBondContact CG-O 3.45Å; Q232-S240 PolarHBondContact NE2-O 2.93Å; G237-S240 WeakPolarHBondContact O-CB 3.08Å; G237-S240 PolarHBondContact O-N 2.92Å; K238-S240 VanDerWaalsContact C-N 3.33Å
241I84.3Confident84.3Confident136 Ų13665.9 Ų65.970%0.69732%0.323SS*.SBendtrans-88.5-15.6-168.155.6166.7000114.1P230P230-I241 HydrophobicContact CB-CG1 4.43Å; P230-I241 HydrophobicContact CG-CD1 3.86Å; P230-I241 HydrophobicContact CG-CG1 3.54Å
242R87.8Confident84.9Confident43 Ų4366.2 Ų66.216%0.16233%0.325CS..BIsolated β-bridgetrans-110.5145.7-179.1-58.2-177.1178.8-162-7.1113P228 P230 V231 Q232 E246 H270 D271P228-R242 PolarHBondContact O-NH1 3.27Å; P230-R242 VanDerWaalsContact O-CB 3.23Å; P230-R242 WeakPolarHBondContact O-CB 3.47Å; P230-R242 WeakPolarHBondContact O-CG 3.46Å; P230-R242 PolarHBondContact O-N 3.13Å; V231-R242 CarbonylContact C-O 3.12Å; V231-R242 HydrophobicContact CG2-CB 4.2Å; Q232-R242 WeakPolarHBondContact CB-O 3.32Å; Q232-R242 WeakPolarHBondContact CG-O 3.34Å; Q232-R242 PolarHBondContact N-O 2.85Å; R242-E246 WeakPolarHBondContact CA-OE2 3.44Å; R242-E246 HydrophobicContact CB-CB 4.11Å; R242-H270 PolarHBondContact NH1-CE1 2.85Å; R242-D271 IonicContact CZ-OD1 3.23Å; R242-D271 VanDerWaalsContact CZ-OD1 3.23Å; R242-D271 IonicContact CZ-OD2 3.76Å; R242-D271 IonicContact NH1-OD1 2.67Å; R242-D271 PolarHBondContact NH1-OD1 3Å; R242-D271 IonicContact NH1-OD2 3.93Å; R242-D271 IonicContact NH2-OD1 2.96Å; R242-D271 PolarHBondContact NH2-OD1 3.18Å; R242-D271 IonicContact NH2-OD2 2.72Å; R242-D271 PolarHBondContact NH2-OD2 3.24Å
243T93.2Very high85.7Confident55 Ų5566 Ų6634%0.33732%0.321SS..  trans-71.5162.916561.20000111.3V231 E245 E246 G247V231-T243 WeakPolarHBondContact CG1-O 3.36Å; T243-E245 PolarHBondContact O-N 3.3Å; T243-E246 PolarHBondContact N-OE2 3.15Å; T243-E246 PolarHBondContact O-N 2.88Å; T243-E246 VanDerWaalsContact OG1-CG 3.28Å; T243-E246 WeakPolarHBondContact OG1-CG 3.45Å; T243-E246 PolarHBondContact OG1-N 3.13Å; T243-E246 PolarHBondContact OG1-OE2 3.18Å; T243-G247 PolarHBondContact O-N 2.87Å
244V93.3Very high86.5Confident32 Ų3264.9 Ų64.919%0.19431%0.314CS..Hα-helixtrans-66.4-28.2176.7-64.50000112.2A20 V231 Q232 T233 G247 A248A20-V244 HydrophobicContact CB-CB 4.08Å; A20-V244 HydrophobicContact CB-CG2 4.12Å; A20-V244 VanDerWaalsContact CB-O 3.29Å; A20-V244 WeakPolarHBondContact CB-O 3.39Å; V231-V244 HydrophobicContact CG1-CB 4.37Å; V231-V244 HydrophobicContact CG1-CG1 3.95Å; Q232-V244 WeakPolarHBondContact O-CG1 3.45Å; T233-V244 HydrophobicContact CG2-CG1 4.02Å; V244-G247 PolarHBondContact O-N 2.9Å; V244-A248 PolarHBondContact O-N 3.33Å; V244-A248 VanDerWaalsContact O-N 3.08Å
245E94.6Very high87.7Confident87 Ų8759.4 Ų59.441%0.40729%0.285SS..Hα-helixtrans-64.8-50.7173.2-69.166.2-146.800111.3R23 T243 G247 A248 E249R23-E245 IonicContact NH1-OE1 3.43Å; R23-E245 PolarHBondContact NH1-OE1 3.05Å; T243-E245 PolarHBondContact O-N 3.3Å; E245-G247 VanDerWaalsContact C-N 3.28Å; E245-G247 PolarHBondContact O-N 3.07Å; E245-A248 WeakPolarHBondContact O-CB 3.48Å; E245-A248 PolarHBondContact O-N 3.38Å; E245-A248 VanDerWaalsContact O-N 3.08Å; E245-E249 PolarHBondContact O-N 3.24Å
246E95.6Very high88.9Confident84 Ų8458.6 Ų58.639%0.39328%0.282SS..Hα-helixtrans-60.9-38.8174.7-72164.5138.900111.4R242 T243 A248 E249R242-E246 WeakPolarHBondContact CA-OE2 3.44Å; R242-E246 HydrophobicContact CB-CB 4.11Å; T243-E246 PolarHBondContact N-OE2 3.15Å; T243-E246 PolarHBondContact O-N 2.88Å; T243-E246 VanDerWaalsContact OG1-CG 3.28Å; T243-E246 WeakPolarHBondContact OG1-CG 3.45Å; T243-E246 PolarHBondContact OG1-N 3.13Å; T243-E246 PolarHBondContact OG1-OE2 3.18Å; E246-A248 PolarHBondContact O-N 2.93Å; E246-E249 WeakPolarHBondContact O-CB 3.4Å; E246-E249 PolarHBondContact O-N 2.97Å
247G95.9Very high90.2Very high0 Ų055.3 Ų55.30%026%0.264CS..Hα-helixtrans-62.9-28.2175.300000114.3P228 T243 V244 E245 P251P228-G247 WeakPolarHBondContact CB-O 3.43Å; T243-G247 PolarHBondContact O-N 2.87Å; V244-G247 PolarHBondContact O-N 2.9Å; E245-G247 VanDerWaalsContact C-N 3.28Å; E245-G247 PolarHBondContact O-N 3.07Å; G247-P251 WeakPolarHBondContact O-CD 3.13Å
248A98.2Very high91.6Very high1 Ų157.2 Ų57.21%0.00827%0.271CS..Hα-helixtrans-80.4-16179.600000113.3A20 I21 V244 E245 E246 T250 P251 V252A20-A248 HydrophobicContact CB-CB 3.81Å; I21-A248 HydrophobicContact CG1-CB 3.7Å; V244-A248 PolarHBondContact O-N 3.33Å; V244-A248 VanDerWaalsContact O-N 3.08Å; E245-A248 WeakPolarHBondContact O-CB 3.48Å; E245-A248 PolarHBondContact O-N 3.38Å; E245-A248 VanDerWaalsContact O-N 3.08Å; E246-A248 PolarHBondContact O-N 2.93Å; A248-T250 PolarHBondContact O-N 3.26Å; A248-P251 VanDerWaalsContact O-CD 3.3Å; A248-P251 WeakPolarHBondContact O-CD 3.36Å; A248-V252 HydrophobicContact CB-CG2 4.4Å; A248-V252 WeakPolarHBondContact O-CB 3.35Å; A248-V252 WeakPolarHBondContact O-CG2 3.48Å; A248-V252 PolarHBondContact O-N 2.79Å
249E98.5Very high93.1Very high93 Ų9351.8 Ų51.844%0.43526%0.255SS..Hα-helixtrans-60.6-50.9-171.3-72.1-170.4-152.200114.6E245 E246 V252 Y253 K272E245-E249 PolarHBondContact O-N 3.24Å; E246-E249 WeakPolarHBondContact O-CB 3.4Å; E246-E249 PolarHBondContact O-N 2.97Å; E249-V252 PolarHBondContact O-N 3.49Å; E249-Y253 VanDerWaalsContact O-CB 3.26Å; E249-Y253 WeakPolarHBondContact O-CB 3.12Å; E249-Y253 PolarHBondContact O-N 3.44Å; E249-K272 IonicContact OE2-NZ 2.85Å; E249-K272 PolarHBondContact OE2-NZ 3.32Å
250T98.7Very high94.6Very high4 Ų446.3 Ų46.33%0.02524%0.241CC..Hα-helixtrans-66.2-45.1179.8-66.20000111.6C226 A248 V252 Y253 L254 V269 D271 K272C226-T250 HydrophobicContact CB-CG2 3.75Å; A248-T250 PolarHBondContact O-N 3.26Å; T250-V252 PolarHBondContact O-N 3.02Å; T250-Y253 WeakPolarHBondContact O-CB 3.46Å; T250-Y253 PolarHBondContact O-N 3.3Å; T250-L254 HydrophobicContact CG2-CD1 4.34Å; T250-L254 WeakPolarHBondContact O-CG 3.29Å; T250-L254 PolarHBondContact O-N 3.23Å; T250-V269 HydrophobicContact CG2-CB 4.29Å; T250-V269 HydrophobicContact CG2-CG1 3.86Å; T250-D271 WeakPolarHBondContact OG1-CA 3.35Å; T250-D271 PolarHBondContact OG1-N 3.47Å; T250-D271 VanDerWaalsContact OG1-N 3.13Å; T250-K272 PolarHBondContact OG1-N 2.87Å; T250-K272 VanDerWaalsContact OG1-N 3.12Å
251P98.8Very high95.7Very high0 Ų046.6 Ų46.60%024%0.244CC..Hα-helixtrans-56-45.5172.6-2935.1000114.2I21 V136 I138 G247 A248 L254 A255I21-P251 HydrophobicContact CD1-CB 3.5Å; I21-P251 VanDerWaalsContact CD1-CB 3.5Å; I21-P251 HydrophobicContact CD1-CG 3.88Å; I21-P251 HydrophobicContact CG1-CB 3.91Å; I21-P251 HydrophobicContact CG1-CG 4.43Å; V136-P251 HydrophobicContact CG1-CB 4.32Å; I138-P251 HydrophobicContact CD1-CB 3.8Å; I138-P251 HydrophobicContact CD1-CG 3.5Å; G247-P251 WeakPolarHBondContact O-CD 3.13Å; A248-P251 VanDerWaalsContact O-CD 3.3Å; A248-P251 WeakPolarHBondContact O-CD 3.36Å; P251-L254 PolarHBondContact O-N 3.12Å; P251-A255 VanDerWaalsContact O-CB 3.31Å; P251-A255 WeakPolarHBondContact O-CB 3.44Å; P251-A255 PolarHBondContact O-N 2.89Å
252V98.9Very high96.3Very high7 Ų746.2 Ų46.24%0.04224%0.242CC..Hα-helixtrans-66.8-42.3179.4171.80000110.8I21 E24 A248 E249 T250 L254 A255 L256I21-V252 HydrophobicContact CB-CG2 4.47Å; I21-V252 HydrophobicContact CG1-CG2 4.43Å; I21-V252 HydrophobicContact CG2-CG2 4.12Å; E24-V252 HydrophobicContact CB-CG1 4.24Å; E24-V252 HydrophobicContact CB-CG2 3.71Å; A248-V252 HydrophobicContact CB-CG2 4.4Å; A248-V252 WeakPolarHBondContact O-CB 3.35Å; A248-V252 WeakPolarHBondContact O-CG2 3.48Å; A248-V252 PolarHBondContact O-N 2.79Å; E249-V252 PolarHBondContact O-N 3.49Å; T250-V252 PolarHBondContact O-N 3.02Å; V252-L254 VanDerWaalsContact C-N 3.34Å; V252-L254 PolarHBondContact O-N 3.44Å; V252-A255 PolarHBondContact O-N 2.97Å; V252-L256 HydrophobicContact CG1-CD1 3.67Å; V252-L256 HydrophobicContact CG1-CG 4.29Å; V252-L256 WeakPolarHBondContact O-CB 3.4Å; V252-L256 WeakPolarHBondContact O-CG 3.23Å; V252-L256 PolarHBondContact O-N 3.48Å
253Y98.8Very high96.7Very high88 Ų8851.1 Ų51.135%0.34527%0.267SS..Hα-helixtrans-53.6-49.5173.2161.1-103000111.9E249 T250 L256 L257 K272E249-Y253 VanDerWaalsContact O-CB 3.26Å; E249-Y253 WeakPolarHBondContact O-CB 3.12Å; E249-Y253 PolarHBondContact O-N 3.44Å; T250-Y253 WeakPolarHBondContact O-CB 3.46Å; T250-Y253 PolarHBondContact O-N 3.3Å; Y253-L256 PolarHBondContact O-N 2.83Å; Y253-L257 HydrophobicContact CE1-CD2 4.28Å; Y253-L257 HydrophobicContact CE2-CD2 3.96Å; Y253-L257 PolarHBondContact O-N 2.81Å; Y253-K272 HydrophobicContact CD1-CB 3.89Å; Y253-K272 HydrophobicContact CD1-CG 3.8Å; Y253-K272 HydrophobicContact CD2-CD 4.26Å; Y253-K272 HydrophobicContact CD2-CG 4.28Å; Y253-K272 HydrophobicContact CE1-CB 4Å; Y253-K272 HydrophobicContact CE1-CG 4.42Å; Y253-K272 HydrophobicContact CG-CB 4.17Å; Y253-K272 HydrophobicContact CG-CD 4.08Å; Y253-K272 HydrophobicContact CG-CG 3.73Å
254L98.9Very high96.9Very high3 Ų349.1 Ų49.12%0.01626%0.255CS..Hα-helixtrans-67.4-37.5179.1-69.4174.9000112.7R134 V136 N224 C226 T250 P251 V252 L256 L257 P264 V269R134-L254 VanDerWaalsContact CG-O 3.28Å; R134-L254 WeakPolarHBondContact CG-O 3.25Å; V136-L254 HydrophobicContact CG1-CB 4.28Å; V136-L254 HydrophobicContact CG1-CD1 4.15Å; V136-L254 HydrophobicContact CG2-CB 3.67Å; N224-L254 HydrophobicContact CB-CD1 4Å; N224-L254 HydrophobicContact CB-CD2 4.19Å; C226-L254 HydrophobicContact CB-CD1 3.57Å; T250-L254 HydrophobicContact CG2-CD1 4.34Å; T250-L254 WeakPolarHBondContact O-CG 3.29Å; T250-L254 PolarHBondContact O-N 3.23Å; P251-L254 PolarHBondContact O-N 3.12Å; V252-L254 VanDerWaalsContact C-N 3.34Å; V252-L254 PolarHBondContact O-N 3.44Å; L254-L256 VanDerWaalsContact C-N 3.25Å; L254-L256 PolarHBondContact O-N 3.46Å; L254-L257 HydrophobicContact CD2-CD1 4.14Å; L254-P264 HydrophobicContact CD2-CG 3.64Å; L254-V269 HydrophobicContact CD1-CB 4.13Å; L254-V269 HydrophobicContact CD1-CG2 4.36Å; L254-V269 HydrophobicContact CD2-CB 4.45Å; L254-V269 HydrophobicContact CD2-CG1 4.45Å; L254-V269 HydrophobicContact CD2-CG2 4.12Å
255A98.8Very high97.1Very high2 Ų248.8 Ų48.82%0.01725%0.251CS..Hα-helixtrans-65.6-29.2178.400000112.9L25 V86 V88 V136 P251 V252L25-A255 HydrophobicContact CD2-CB 4.1Å; V86-A255 HydrophobicContact CG1-CB 3.71Å; V88-A255 HydrophobicContact CG2-CB 4.3Å; V136-A255 HydrophobicContact CG2-CB 4.07Å; P251-A255 VanDerWaalsContact O-CB 3.31Å; P251-A255 WeakPolarHBondContact O-CB 3.44Å; P251-A255 PolarHBondContact O-N 2.89Å; V252-A255 PolarHBondContact O-N 2.97Å
256L98.8Very high97.3Very high53 Ų5344.9 Ų44.928%0.27724%0.235SC..THydrogen-bonded Turntrans-108.713.6-174.3-60.2-178.9000113.9L25 Q28 F29 V252 Y253 L254L25-L256 HydrophobicContact CD2-CD1 4.37Å; L25-L256 HydrophobicContact CD2-CD2 3.84Å; L25-L256 HydrophobicContact CD2-CG 4.06Å; Q28-L256 HydrophobicContact CB-CD1 3.59Å; F29-L256 HydrophobicContact CB-CD2 4.15Å; F29-L256 HydrophobicContact CD2-CD2 3.82Å; F29-L256 HydrophobicContact CG-CD2 4.49Å; V252-L256 HydrophobicContact CG1-CD1 3.67Å; V252-L256 HydrophobicContact CG1-CG 4.29Å; V252-L256 WeakPolarHBondContact O-CB 3.4Å; V252-L256 WeakPolarHBondContact O-CG 3.23Å; V252-L256 PolarHBondContact O-N 3.48Å; Y253-L256 PolarHBondContact O-N 2.83Å; L254-L256 VanDerWaalsContact C-N 3.25Å; L254-L256 PolarHBondContact O-N 3.46Å
257L98.6Very high97.4Very high13 Ų1343.8 Ų43.87%0.06823%0.23CC..  trans-48.4134.1174.7-75.1171.1000110.7R134 L222 Y253 L254 A261 P264R134-L257 HydrophobicContact CG-CB 4.32Å; R134-L257 VanDerWaalsContact CZ-O 3.31Å; R134-L257 PolarHBondContact NE-O 3.34Å; L222-L257 HydrophobicContact CD1-CB 4.42Å; L222-L257 HydrophobicContact CD1-CD1 3.78Å; Y253-L257 HydrophobicContact CE1-CD2 4.28Å; Y253-L257 HydrophobicContact CE2-CD2 3.96Å; Y253-L257 PolarHBondContact O-N 2.81Å; L254-L257 HydrophobicContact CD2-CD1 4.14Å; L257-A261 HydrophobicContact CB-CB 4.3Å; L257-P264 HydrophobicContact CD1-CG 4.29Å
258P97.2Very high97.5Very high71 Ų7143.9 Ų43.946%0.46123%0.23SC..  trans-54.4146.7-176.3-28.735.4000113.1R134 D260 A261R134-P258 PolarHBondContact NH2-O 3.47Å; P258-D260 VanDerWaalsContact CB-OD1 3.22Å; P258-D260 WeakPolarHBondContact CB-OD1 3.34Å; P258-D260 PolarHBondContact O-N 3.04Å; P258-A261 WeakPolarHBondContact O-CB 3.41Å; P258-A261 PolarHBondContact O-N 2.92Å
259P92.6Very high97.5Very high73 Ų7343.9 Ų43.947%0.47423%0.23SC..THydrogen-bonded Turntrans-54.9-29.1-175.5-27.835.4000115.6H132H132-P259 HydrophobicContact CB-CB 4.26Å; H132-P259 PolarHBondContact ND1-O 2.8Å
260D92.4Very high97.5Very high113 Ų11340.6 Ų40.660%0.60422%0.215SC*.THydrogen-bonded Turntrans-86.2-9.517862.2-36.4000114.2P258 I262P258-D260 VanDerWaalsContact CB-OD1 3.22Å; P258-D260 WeakPolarHBondContact CB-OD1 3.34Å; P258-D260 PolarHBondContact O-N 3.04Å; D260-I262 PolarHBondContact O-N 3.42Å
261A96.4Very high97.4Very high20 Ų2044.1 Ų44.117%0.16523%0.233CC..  trans-60.1135.4175.900000111.2L222 L257 P258L222-A261 HydrophobicContact CD1-CB 4.21Å; L257-A261 HydrophobicContact CB-CB 4.3Å; P258-A261 WeakPolarHBondContact O-CB 3.41Å; P258-A261 PolarHBondContact O-N 2.92Å
262I95.4Very high97.4Very high129 Ų12948.4 Ų48.466%0.66225%0.252SS*.  trans-109.2-11.2174.159.1171.3000112.2D260D260-I262 PolarHBondContact O-N 3.42Å
263E96.5Very high97.4Very high145 Ų14552.3 Ų52.368%0.67828%0.275SS*.  trans-141.8157-178.364.5-176.9-177.800110.9
264P97.9Very high97.4Very high13 Ų1351.2 Ų51.28%0.08428%0.278CS..SBendcis-66.9150.9-9.928.9-35.5000112.4N224 L254 L257 Q267 V269 V274N224-P264 PolarHBondContact ND2-O 3.43Å; N224-P264 VanDerWaalsContact OD1-C 3.28Å; N224-P264 PolarHBondContact OD1-O 2.79Å; L254-P264 HydrophobicContact CD2-CG 3.64Å; L257-P264 HydrophobicContact CD1-CG 4.29Å; P264-Q267 HydrophobicContact CB-CB 4.01Å; P264-Q267 HydrophobicContact CB-CG 3.75Å; P264-V269 HydrophobicContact CB-CG2 4.32Å; P264-V269 HydrophobicContact CG-CG2 4.16Å; P264-V274 HydrophobicContact CB-CG2 4.11Å
265Q97.8Very high97.3Very high25 Ų2553.4 Ų53.412%0.11729%0.288CS..  trans-138.3126.4175.7174.567.3-53.200109A209 D213 I221 L222 V223 N224 Q267A209-Q265 HydrophobicContact CB-CG 4Å; D213-Q265 PolarHBondContact OD1-NE2 3.23Å; I221-Q265 PolarHBondContact O-NE2 2.9Å; L222-Q265 HydrophobicContact CD2-CB 4.08Å; L222-Q265 HydrophobicContact CD2-CG 4.43Å; V223-Q265 PolarHBondContact O-OE1 3.33Å; N224-Q265 WeakPolarHBondContact OD1-CA 3.28Å; N224-Q265 PolarHBondContact OD1-N 3.1Å; Q265-Q267 WeakPolarHBondContact O-CG 3.33Å; Q265-Q267 PolarHBondContact O-N 2.67Å; Q265-Q267 PolarHBondContact O-NE2 3.46Å
266G97.9Very high96.9Very high6 Ų660.4 Ų60.46%0.06233%0.325CS..SBendtrans64.922.2-178.700000114.4R206 V223 N224R206-G266 VanDerWaalsContact CG-O 3.29Å; R206-G266 WeakPolarHBondContact CG-O 3.14Å; V223-G266 WeakPolarHBondContact O-CA 3.48Å; V223-G266 PolarHBondContact O-N 3.07Å; N224-G266 PolarHBondContact OD1-N 2.72Å
267Q98.4Very high96.3Very high60 Ų6060.2 Ų60.228%0.2832%0.321SS..  trans-97.5159.4-175.7-57-53.9-4200112.5N224 A225 P264 Q265 V269 V274N224-Q267 PolarHBondContact OD1-N 2.96Å; A225-Q267 PolarHBondContact N-O 3.18Å; P264-Q267 HydrophobicContact CB-CB 4.01Å; P264-Q267 HydrophobicContact CB-CG 3.75Å; Q265-Q267 WeakPolarHBondContact O-CG 3.33Å; Q265-Q267 PolarHBondContact O-N 2.67Å; Q265-Q267 PolarHBondContact O-NE2 3.46Å; Q267-V269 HydrophobicContact CB-CG2 4.02Å; Q267-V274 HydrophobicContact CB-CG1 4.06Å; Q267-V274 HydrophobicContact CB-CG2 4.17Å; Q267-V274 HydrophobicContact CG-CG1 4.06Å; Q267-V274 HydrophobicContact CG-CG2 4.09Å
268L98.6Very high96.2Very high3 Ų362.6 Ų62.62%0.01633%0.333CS..EExtended strand (participates in β ladder)trans-92.2123.3158.6178.564.4000108.1L141 L144 T202 A225 Q275L141-L268 HydrophobicContact CD2-CD2 4.38Å; L144-L268 HydrophobicContact CD1-CD2 4.08Å; L144-L268 HydrophobicContact CD2-CD2 3.91Å; L144-L268 HydrophobicContact CG-CD2 3.91Å; T202-L268 HydrophobicContact CG2-CB 4.08Å; T202-L268 HydrophobicContact CG2-CD1 4.37Å; A225-L268 HydrophobicContact CB-CD1 4.06Å; A225-L268 CarbonylContact O-C 3.43Å; A225-L268 WeakPolarHBondContact O-CA 3.46Å; L268-Q275 HydrophobicContact CB-CB 4.36Å; L268-Q275 HydrophobicContact CD2-CB 4.14Å; L268-Q275 HydrophobicContact CG-CB 4.15Å; L268-Q275 HydrophobicContact CG-CG 4.36Å; L268-Q275 PolarHBondContact O-N 2.96Å
269V98.8Very high96.1Very high1 Ų162.1 Ų62.11%0.00633%0.327CS..EExtended strand (participates in β ladder)trans-120.5136.8-176-173.50000110.8A225 C226 C227 T250 L254 P264 Q267 V273 V274A225-V269 PolarHBondContact O-N 3.28Å; C226-V269 CarbonylContact C-O 3.48Å; C226-V269 WeakPolarHBondContact CA-O 3.33Å; C226-V269 HydrophobicContact CB-CB 4.3Å; C226-V269 WeakPolarHBondContact CB-O 3.42Å; C227-V269 PolarHBondContact N-O 3.2Å; T250-V269 HydrophobicContact CG2-CB 4.29Å; T250-V269 HydrophobicContact CG2-CG1 3.86Å; L254-V269 HydrophobicContact CD1-CB 4.13Å; L254-V269 HydrophobicContact CD1-CG2 4.36Å; L254-V269 HydrophobicContact CD2-CB 4.45Å; L254-V269 HydrophobicContact CD2-CG1 4.45Å; L254-V269 HydrophobicContact CD2-CG2 4.12Å; P264-V269 HydrophobicContact CB-CG2 4.32Å; P264-V269 HydrophobicContact CG-CG2 4.16Å; Q267-V269 HydrophobicContact CB-CG2 4.02Å; V269-V273 WeakPolarHBondContact CA-O 3.47Å; V269-V274 HydrophobicContact CG2-CG2 4.42Å
270H97.8Very high96.3Very high24 Ų2461.5 Ų61.511%0.11132%0.319CS..EExtended strand (participates in β ladder)trans-141136173.5178.459.3000108.8L141 C227 R242 K272 V273 Q275L141-H270 HydrophobicContact CD1-CB 4.47Å; L141-H270 HydrophobicContact CD2-CB 4.24Å; C227-H270 HydrophobicContact CB-CB 4.33Å; C227-H270 PolarHBondContact O-ND1 3.47Å; R242-H270 PolarHBondContact NH1-CE1 2.85Å; H270-K272 PolarHBondContact O-N 2.89Å; H270-V273 PolarHBondContact N-O 3.33Å; H270-V273 WeakPolarHBondContact O-CA 3.44Å; H270-V273 WeakPolarHBondContact O-CB 3.39Å; H270-V273 PolarHBondContact O-N 2.84Å; H270-Q275 HydrophobicContact CB-CG 3.87Å
271D97.2Very high96.5Very high77 Ų7758.5 Ų58.541%0.41230%0.302SS..THydrogen-bonded Turntrans50.639.6-173.9-65.1-14.7000113.2R242 T250 V273R242-D271 IonicContact CZ-OD1 3.23Å; R242-D271 VanDerWaalsContact CZ-OD1 3.23Å; R242-D271 IonicContact CZ-OD2 3.76Å; R242-D271 IonicContact NH1-OD1 2.67Å; R242-D271 PolarHBondContact NH1-OD1 3Å; R242-D271 IonicContact NH1-OD2 3.93Å; R242-D271 IonicContact NH2-OD1 2.96Å; R242-D271 PolarHBondContact NH2-OD1 3.18Å; R242-D271 IonicContact NH2-OD2 2.72Å; R242-D271 PolarHBondContact NH2-OD2 3.24Å; T250-D271 WeakPolarHBondContact OG1-CA 3.35Å; T250-D271 PolarHBondContact OG1-N 3.47Å; T250-D271 VanDerWaalsContact OG1-N 3.13Å; D271-V273 PolarHBondContact O-N 3.21Å; D271-V273 VanDerWaalsContact O-N 3.13Å
272K98.1Very high96.5Very high91 Ų9160.9 Ų60.940%0.39631%0.31SS..THydrogen-bonded Turntrans61.415.7-177.4-48.5168.9-170.7149.60113.2E249 T250 Y253 H270E249-K272 IonicContact OE2-NZ 2.85Å; E249-K272 PolarHBondContact OE2-NZ 3.32Å; T250-K272 PolarHBondContact OG1-N 2.87Å; T250-K272 VanDerWaalsContact OG1-N 3.12Å; Y253-K272 HydrophobicContact CD1-CB 3.89Å; Y253-K272 HydrophobicContact CD1-CG 3.8Å; Y253-K272 HydrophobicContact CD2-CD 4.26Å; Y253-K272 HydrophobicContact CD2-CG 4.28Å; Y253-K272 HydrophobicContact CE1-CB 4Å; Y253-K272 HydrophobicContact CE1-CG 4.42Å; Y253-K272 HydrophobicContact CG-CB 4.17Å; Y253-K272 HydrophobicContact CG-CD 4.08Å; Y253-K272 HydrophobicContact CG-CG 3.73Å; H270-K272 PolarHBondContact O-N 2.89Å
273V98.1Very high96.6Very high88 Ų8856.3 Ų56.353%0.53329%0.287SS..EExtended strand (participates in β ladder)trans-114.6134177.7-179.70000110.3V269 H270 D271 Q275V269-V273 WeakPolarHBondContact CA-O 3.47Å; H270-V273 PolarHBondContact N-O 3.33Å; H270-V273 WeakPolarHBondContact O-CA 3.44Å; H270-V273 WeakPolarHBondContact O-CB 3.39Å; H270-V273 PolarHBondContact O-N 2.84Å; D271-V273 PolarHBondContact O-N 3.21Å; D271-V273 VanDerWaalsContact O-N 3.13Å; V273-Q275 PolarHBondContact O-N 3.33Å; V273-Q275 PolarHBondContact O-NE2 3.42Å
274V98.3Very high96.6Very high66 Ų6650 Ų5040%0.426%0.259SS..EExtended strand (participates in β ladder)trans-65.5131.2174.5175.20000109.9P264 Q267 V269P264-V274 HydrophobicContact CB-CG2 4.11Å; Q267-V274 HydrophobicContact CB-CG1 4.06Å; Q267-V274 HydrophobicContact CB-CG2 4.17Å; Q267-V274 HydrophobicContact CG-CG1 4.06Å; Q267-V274 HydrophobicContact CG-CG2 4.09Å; V269-V274 HydrophobicContact CG2-CG2 4.42Å
275Q97.6Very high96.5Very high48 Ų4852.8 Ų52.822%0.22427%0.272CS..EExtended strand (participates in β ladder)trans-98.4141.8177.6-54.2-57.9-59.900109.5L141 L268 H270 V273L141-Q275 HydrophobicContact CD2-CG 4.1Å; L268-Q275 HydrophobicContact CB-CB 4.36Å; L268-Q275 HydrophobicContact CD2-CB 4.14Å; L268-Q275 HydrophobicContact CG-CB 4.15Å; L268-Q275 HydrophobicContact CG-CG 4.36Å; L268-Q275 PolarHBondContact O-N 2.96Å; H270-Q275 HydrophobicContact CB-CG 3.87Å; V273-Q275 PolarHBondContact O-N 3.33Å; V273-Q275 PolarHBondContact O-NE2 3.42Å
276N91.1Very high96.4Very high150 Ų15055.2 Ų55.280%0.80229%0.285SS*.PPolyproline II helixtrans-67.1136.5176.1-67.2-21.2000110.4
277W85.3Confident96.3Very high48 Ų4859.6 Ų59.618%0.18231%0.306CS..  trans-112.40177.7-177.3-98.3000110.2L144 F147 F158 R159 L199 T202 V203 R206L144-W277 HydrophobicContact CD2-CE3 3.72Å; L144-W277 HydrophobicContact CD2-CZ3 3.85Å; F147-W277 HydrophobicContact CD2-CZ2 4.23Å; F158-W277 PolarHBondContact O-NE1 3.46Å; R159-W277 PolarHBondContact NE-OXT 3.36Å; L199-W277 HydrophobicContact CD1-CH2 3.33Å; L199-W277 HydrophobicContact CD1-CZ2 3.64Å; T202-W277 HydrophobicContact CG2-CD2 4.23Å; T202-W277 HydrophobicContact CG2-CE3 3.62Å; T202-W277 HydrophobicContact CG2-CH2 3.82Å; T202-W277 HydrophobicContact CG2-CZ2 4.45Å; T202-W277 HydrophobicContact CG2-CZ3 3.39Å; V203-W277 HydrophobicContact CG2-CH2 3.99Å; V203-W277 HydrophobicContact CG2-CZ2 3.35Å; R206-W277 VanDerWaalsContact CZ-CD1 3.46Å

Retrieved 277 of 277 residues in 77.1 ms (Link to these results)

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