A0A077ZK10_TRITR Loading...

SIS 2 and DUF871 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZK10, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 626 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
1M93.1Very high88.7Confident68 Ų6831.9 Ų31.934%0.33518%0.175SC..  0140.40-178.5-164179.600109.2S29 E62 D212 K213 V214M1-S29 VanDerWaalsContact CE-O 3.27Å; M1-S29 WeakPolarHBondContact CE-O 3.47Å; M1-S29 WeakPolarHBondContact CE-OG 3.46Å; M1-S29 VanDerWaalsContact CG-OG 3.25Å; M1-S29 WeakPolarHBondContact CG-OG 3.36Å; M1-E62 HydrophobicContact CE-CB 4.18Å; M1-E62 HydrophobicContact CE-CG 4.04Å; M1-E62 WeakPolarHBondContact CE-OE2 3.35Å; M1-D212 PolarHBondContact N-O 3.45Å; M1-K213 HydrophobicContact CB-CG 4.12Å; M1-K213 WeakPolarHBondContact O-CA 3.31Å; M1-K213 HydrophobicContact SD-CD 3.76Å; M1-K213 HydrophobicContact SD-CG 4Å; M1-V214 PolarHBondContact O-N 2.91Å
2F97.3Very high88.4Confident22 Ų2232.3 Ų32.310%0.09618%0.176CC..EExtended strand (participates in β ladder)trans-109.4134.1174.1-62.9-65.8000112F28 S29 A204 V214 F229 Y232 I233F2-F28 HydrophobicContact CB-CD1 3.73Å; F2-F28 HydrophobicContact CB-CE1 3.83Å; F2-F28 HydrophobicContact CB-CG 4.44Å; F2-F28 WeakPolarHBondContact O-CA 3.33Å; F2-S29 PolarHBondContact O-N 3.31Å; F2-S29 PolarHBondContact O-OG 3.31Å; F2-A204 HydrophobicContact CE1-CB 3.93Å; F2-V214 CarbonylContact C-O 3.53Å; F2-V214 VanDerWaalsContact CA-O 3.29Å; F2-V214 WeakPolarHBondContact CA-O 3.37Å; F2-V214 HydrophobicContact CD1-CB 3.96Å; F2-V214 HydrophobicContact CD1-CG1 4.36Å; F2-V214 HydrophobicContact CE1-CB 4.1Å; F2-V214 HydrophobicContact CE1-CG1 4.45Å; F2-F229 HydrophobicContact CD1-CD1 4.46Å; F2-F229 HydrophobicContact CD1-CE1 4.05Å; F2-F229 HydrophobicContact CE1-CE1 4.11Å; F2-F229 HydrophobicContact CG-CD1 4.43Å; F2-F229 HydrophobicContact CG-CE1 4.45Å; F2-Y232 HydrophobicContact CE2-CD1 4.02Å; F2-Y232 AromaticContact CE2-CE1 3.99Å; F2-Y232 HydrophobicContact CE2-CE1 3.99Å; F2-Y232 HydrophobicContact CZ-CD1 4.28Å; F2-Y232 HydrophobicContact CZ-CE1 4.02Å; F2-I233 HydrophobicContact CD2-CD1 3.67Å; F2-I233 HydrophobicContact CD2-CG1 3.62Å; F2-I233 HydrophobicContact CE2-CD1 4.38Å; F2-I233 HydrophobicContact CE2-CG1 3.87Å; F2-I233 HydrophobicContact CG-CD1 4.47Å
3G97.6Very high88.3Confident0 Ų034.6 Ų34.60%019%0.192CC..EExtended strand (participates in β ladder)trans-132.9-178.4175.100000112.7F28 G30 V214 Y215 I216G3-F28 WeakPolarHBondContact O-CD1 3.43Å; G3-G30 CarbonylContact C-O 3.44Å; G3-G30 WeakPolarHBondContact CA-O 3.21Å; G3-V214 PolarHBondContact N-O 3.43Å; G3-Y215 CarbonylContact O-C 3.56Å; G3-Y215 VanDerWaalsContact O-CA 3.3Å; G3-Y215 WeakPolarHBondContact O-CA 3.29Å; G3-I216 PolarHBondContact O-N 3.4Å
4F97.5Very high88.3Confident0 Ų048.4 Ų48.40%024%0.24CC..EExtended strand (participates in β ladder)trans-150.2161-178.161-81.1000111.8I6 Y19 I20 M23 F28 G30 I31 F32 L61 I216F4-I6 HydrophobicContact CD2-CD1 4.1Å; F4-I6 HydrophobicContact CD2-CG1 4.23Å; F4-I6 HydrophobicContact CE2-CD1 3.91Å; F4-I6 HydrophobicContact CE2-CG1 3.95Å; F4-Y19 AromaticContact CD2-CE1 3.87Å; F4-Y19 HydrophobicContact CD2-CE1 3.87Å; F4-Y19 HydrophobicContact CE2-CE1 4.25Å; F4-I20 HydrophobicContact CE2-CB 4.47Å; F4-I20 HydrophobicContact CE2-CG1 4Å; F4-I20 HydrophobicContact CZ-CB 4.4Å; F4-I20 HydrophobicContact CZ-CG1 4.37Å; F4-I20 HydrophobicContact CZ-CG2 4.17Å; F4-M23 HydrophobicContact CB-CE 3.42Å; F4-M23 VanDerWaalsContact CB-CE 3.42Å; F4-M23 HydrophobicContact CD1-CB 3.74Å; F4-M23 HydrophobicContact CD1-CE 3.75Å; F4-M23 HydrophobicContact CD1-CG 4.08Å; F4-M23 HydrophobicContact CD2-CB 4.43Å; F4-M23 HydrophobicContact CD2-CE 4.34Å; F4-M23 HydrophobicContact CD2-CG 4.1Å; F4-M23 HydrophobicContact CE1-CB 3.39Å; F4-M23 HydrophobicContact CE1-CG 4.1Å; F4-M23 HydrophobicContact CE2-CB 4.12Å; F4-M23 HydrophobicContact CE2-CG 4.09Å; F4-M23 HydrophobicContact CG-CB 4.26Å; F4-M23 HydrophobicContact CG-CE 3.58Å; F4-M23 HydrophobicContact CG-CG 4.09Å; F4-M23 HydrophobicContact CZ-CB 3.59Å; F4-M23 HydrophobicContact CZ-CG 4.08Å; F4-F28 HydrophobicContact CD1-CB 3.8Å; F4-F28 HydrophobicContact CD1-CD1 4.18Å; F4-F28 HydrophobicContact CD1-CG 4.21Å; F4-F28 HydrophobicContact CE1-CB 3.99Å; F4-G30 WeakPolarHBondContact CD1-O 3.37Å; F4-G30 PolarHBondContact N-O 3.3Å; F4-I31 HydrophobicContact CE1-CG1 4.03Å; F4-I31 HydrophobicContact CE2-CD1 4.33Å; F4-I31 HydrophobicContact CE2-CG1 4Å; F4-I31 HydrophobicContact CZ-CD1 4Å; F4-I31 HydrophobicContact CZ-CG1 3.63Å; F4-I31 CarbonylContact O-C 3.43Å; F4-I31 VanDerWaalsContact O-CA 3.31Å; F4-I31 WeakPolarHBondContact O-CA 3.38Å; F4-F32 PolarHBondContact O-N 2.99Å; F4-L61 HydrophobicContact CE1-CD1 4.37Å; F4-L61 HydrophobicContact CZ-CD1 4.16Å; F4-I216 HydrophobicContact CB-CB 4.19Å; F4-I216 HydrophobicContact CB-CG1 4.38Å
5S96Very high88.3Confident0 Ų052.7 Ų52.70%026%0.264CS..EExtended strand (participates in β ladder)trans-98.1139-176.6-56.80000112F32 I216 G217S5-F32 CarbonylContact C-O 3.56Å; S5-F32 VanDerWaalsContact CA-O 3.27Å; S5-F32 WeakPolarHBondContact CA-O 3.34Å; S5-I216 WeakPolarHBondContact CB-O 3.19Å; S5-I216 PolarHBondContact N-O 3.02Å; S5-I216 PolarHBondContact OG-O 2.68Å; S5-G217 VanDerWaalsContact CB-O 3.32Å; S5-G217 WeakPolarHBondContact CB-O 3.4Å; S5-G217 PolarHBondContact OG-O 3.27Å
6I94.1Very high88.4Confident5 Ų551.6 Ų51.63%0.02626%0.261CS..  trans-122.3124.9167-63.9-58.3000108F4 L8 L12 T16 Y19 I20 I31 F32 T33 L52F4-I6 HydrophobicContact CD2-CD1 4.1Å; F4-I6 HydrophobicContact CD2-CG1 4.23Å; F4-I6 HydrophobicContact CE2-CD1 3.91Å; F4-I6 HydrophobicContact CE2-CG1 3.95Å; I6-L8 HydrophobicContact CG2-CD2 4.2Å; I6-L12 HydrophobicContact CG2-CD2 4Å; I6-T16 HydrophobicContact CD1-CG2 4.08Å; I6-T16 HydrophobicContact CG2-CG2 4.28Å; I6-Y19 HydrophobicContact CD1-CD1 3.98Å; I6-Y19 HydrophobicContact CD1-CE1 4.15Å; I6-I20 HydrophobicContact CD1-CD1 4.22Å; I6-I20 HydrophobicContact CD1-CG1 3.82Å; I6-I20 HydrophobicContact CG1-CD1 4.14Å; I6-I20 HydrophobicContact CG1-CG1 4Å; I6-I31 HydrophobicContact CB-CG2 4.13Å; I6-I31 HydrophobicContact CG1-CG2 3.99Å; I6-F32 PolarHBondContact N-O 3.38Å; I6-T33 WeakPolarHBondContact O-CA 3.31Å; I6-T33 WeakPolarHBondContact O-CB 3.34Å; I6-T33 PolarHBondContact O-OG1 3.32Å; I6-L52 HydrophobicContact CB-CD1 4.42Å; I6-L52 HydrophobicContact CB-CD2 4.5Å; I6-L52 HydrophobicContact CG1-CD1 4.43Å; I6-L52 HydrophobicContact CG2-CD1 4.14Å; I6-L52 HydrophobicContact CG2-CD2 4.33Å
7F89.4Confident88.6Confident20 Ų2051.5 Ų51.59%0.08826%0.264CS..  trans-98.8131.5176.3-57-66.3000110.5N9 R182 L189 G217 S219F7-N9 VanDerWaalsContact C-N 3.35Å; F7-N9 WeakPolarHBondContact CB-OD1 3.22Å; F7-R182 VanDerWaalsContact CD1-NH1 3.31Å; F7-R182 HydrophobicContact CD2-CG 4.29Å; F7-R182 HydrophobicContact CE2-CB 4.45Å; F7-R182 HydrophobicContact CE2-CG 4.15Å; F7-L189 HydrophobicContact CZ-CD1 4.09Å; F7-G217 WeakPolarHBondContact CE2-O 3.47Å; F7-G217 WeakPolarHBondContact CZ-O 3.38Å; F7-S219 VanDerWaalsContact CD2-OG 3.27Å; F7-S219 WeakPolarHBondContact CD2-OG 3.4Å
8L85.6Confident88.8Confident2 Ų254.1 Ų54.11%0.0127%0.274CS..  trans-97.823.5-174.4-64.2179.6000112.9I6 E10 L12 T33 L35 R48 L49 L52I6-L8 HydrophobicContact CG2-CD2 4.2Å; L8-E10 PolarHBondContact O-N 3.19Å; L8-L12 HydrophobicContact CD2-CD2 3.82Å; L8-L12 HydrophobicContact CD2-CG 4.29Å; L8-T33 HydrophobicContact CD1-CG2 4.43Å; L8-L35 HydrophobicContact CB-CD2 4.27Å; L8-L35 HydrophobicContact CD1-CD2 4Å; L8-R48 HydrophobicContact CD2-CB 4.32Å; L8-R48 WeakPolarHBondContact O-CD 3.46Å; L8-R48 PolarHBondContact O-NH1 3.5Å; L8-L49 HydrophobicContact CD1-CB 4.48Å; L8-L49 HydrophobicContact CD1-CD1 4.28Å; L8-L52 HydrophobicContact CD1-CD2 4.13Å; L8-L52 HydrophobicContact CD2-CB 4.49Å; L8-L52 HydrophobicContact CD2-CD2 4.12Å; L8-L52 HydrophobicContact CG-CD2 4.37Å
9N76.8Confident89.1Confident67 Ų6752.4 Ų52.436%0.35827%0.265SS..SBendtrans-68.8-20.317564.3-66.7000112.8F7 I37 D40 R48F7-N9 VanDerWaalsContact C-N 3.35Å; F7-N9 WeakPolarHBondContact CB-OD1 3.22Å; N9-I37 HydrophobicContact CB-CD1 3.26Å; N9-D40 WeakPolarHBondContact CA-OD2 3.29Å; N9-R48 PolarHBondContact O-NH1 3.1Å
10E73.2Confident89.4Confident126 Ų12649.8 Ų49.859%0.58925%0.251SS*.SBendtrans-126.5161.9174.6-70.8171.6-156.200109.4L8L8-E10 PolarHBondContact O-N 3.19Å
11G75.1Confident89.6Confident41 Ų4150.6 Ų50.642%0.42325%0.253SS..  trans-61.3146.8172.700000111.4T13G11-T13 PolarHBondContact O-N 2.89Å
12L84.8Confident89.7Confident36 Ų3649.3 Ų49.319%0.18825%0.247CC..  trans-63.7102.3174.1-64.5176.2000109.8I6 L8 T16 D51 L52 I55I6-L12 HydrophobicContact CG2-CD2 4Å; L8-L12 HydrophobicContact CD2-CD2 3.82Å; L8-L12 HydrophobicContact CD2-CG 4.29Å; L12-T16 HydrophobicContact CD2-CG2 3.83Å; L12-D51 HydrophobicContact CD1-CB 3.81Å; L12-L52 HydrophobicContact CD1-CB 3.98Å; L12-I55 HydrophobicContact CD1-CD1 4.02Å
13T87.4Confident89.7Confident63 Ų6348.3 Ų48.339%0.38724%0.242SC..  trans-72.9168.7177.969.10000110.8G11 D15 T16 T17G11-T13 PolarHBondContact O-N 2.89Å; T13-D15 PolarHBondContact O-N 3.33Å; T13-D15 PolarHBondContact OG1-N 2.96Å; T13-T16 PolarHBondContact O-N 3.3Å; T13-T16 PolarHBondContact OG1-N 3.3Å; T13-T16 VanDerWaalsContact OG1-N 3.09Å; T13-T16 PolarHBondContact OG1-OG1 2.81Å; T13-T17 PolarHBondContact O-N 2.88Å; T13-T17 PolarHBondContact O-OG1 2.91Å
14R89Confident89.6Confident228 Ų22849.3 Ų49.386%0.8625%0.25SS*.Hα-helixtrans-57.6-37.9169.7-74-175.4176.2-177.6-0.8111.4T17 Q18R14-T17 PolarHBondContact O-N 2.93Å; R14-Q18 WeakPolarHBondContact O-CB 3.09Å; R14-Q18 PolarHBondContact O-N 3.25Å
15D87.4Confident89.5Confident112 Ų11254.3 Ų54.360%0.59927%0.274SS*.Hα-helixtrans-67.7-41.4179.6-64.9-7.5000111.5T13 T17 Q18 Y19T13-D15 PolarHBondContact O-N 3.33Å; T13-D15 PolarHBondContact OG1-N 2.96Å; D15-T17 VanDerWaalsContact C-N 3.34Å; D15-Q18 PolarHBondContact O-N 3.4Å; D15-Y19 WeakPolarHBondContact O-CB 3.37Å; D15-Y19 PolarHBondContact O-N 3.39Å
16T89.8Confident89.4Confident36 Ų3656.8 Ų56.822%0.22128%0.283CS..Hα-helixtrans-63.7-42.1174.7-49.80000111.1I6 L12 T13 Q18 Y19 I20I6-T16 HydrophobicContact CD1-CG2 4.08Å; I6-T16 HydrophobicContact CG2-CG2 4.28Å; L12-T16 HydrophobicContact CD2-CG2 3.83Å; T13-T16 PolarHBondContact O-N 3.3Å; T13-T16 PolarHBondContact OG1-N 3.3Å; T13-T16 VanDerWaalsContact OG1-N 3.09Å; T13-T16 PolarHBondContact OG1-OG1 2.81Å; T16-Q18 PolarHBondContact O-N 2.8Å; T16-Y19 PolarHBondContact O-N 3.49Å; T16-I20 HydrophobicContact CG2-CD1 4.34Å; T16-I20 WeakPolarHBondContact O-CG1 3.1Å; T16-I20 PolarHBondContact O-N 3.31Å
17T92.2Very high89.5Confident49 Ų4958 Ų5830%0.30130%0.297SS..Hα-helixtrans-64.1-41.7177.5-54.80000111.5T13 R14 D15 I20 K21 I55T13-T17 PolarHBondContact O-N 2.88Å; T13-T17 PolarHBondContact O-OG1 2.91Å; R14-T17 PolarHBondContact O-N 2.93Å; D15-T17 VanDerWaalsContact C-N 3.34Å; T17-I20 PolarHBondContact O-N 2.86Å; T17-K21 PolarHBondContact O-N 3.1Å; T17-K21 VanDerWaalsContact O-N 3.15Å; T17-I55 HydrophobicContact CG2-CD1 4.08Å
18Q92.7Very high89.8Confident98 Ų9857.2 Ų57.246%0.45829%0.294SS..Hα-helixtrans-67.2-37.8176.2-176.855.841.600111.8R14 D15 T16 K21 E22R14-Q18 WeakPolarHBondContact O-CB 3.09Å; R14-Q18 PolarHBondContact O-N 3.25Å; D15-Q18 PolarHBondContact O-N 3.4Å; T16-Q18 PolarHBondContact O-N 2.8Å; Q18-K21 WeakPolarHBondContact O-CB 3.42Å; Q18-K21 PolarHBondContact O-N 2.63Å; Q18-E22 WeakPolarHBondContact O-CB 3.14Å; Q18-E22 PolarHBondContact O-N 3.39Å
19Y93.2Very high90.4Very high23 Ų2359.3 Ų59.39%0.0931%0.308CS..Hα-helixtrans-62.1-46.9174.2176.3-111.1000111.8F4 I6 D15 T16 K21 E22 M23 S219F4-Y19 AromaticContact CD2-CE1 3.87Å; F4-Y19 HydrophobicContact CD2-CE1 3.87Å; F4-Y19 HydrophobicContact CE2-CE1 4.25Å; I6-Y19 HydrophobicContact CD1-CD1 3.98Å; I6-Y19 HydrophobicContact CD1-CE1 4.15Å; D15-Y19 WeakPolarHBondContact O-CB 3.37Å; D15-Y19 PolarHBondContact O-N 3.39Å; T16-Y19 PolarHBondContact O-N 3.49Å; Y19-K21 VanDerWaalsContact C-N 3.3Å; Y19-K21 PolarHBondContact O-N 3.08Å; Y19-E22 PolarHBondContact O-N 2.91Å; Y19-E22 VanDerWaalsContact O-N 3.15Å; Y19-M23 HydrophobicContact CD1-CG 4.32Å; Y19-M23 HydrophobicContact CD2-CG 4.12Å; Y19-M23 HydrophobicContact CE1-CG 3.97Å; Y19-M23 HydrophobicContact CE2-CG 3.74Å; Y19-M23 HydrophobicContact CE2-SD 3.7Å; Y19-M23 HydrophobicContact CG-CG 4.4Å; Y19-M23 VanDerWaalsContact O-CG 3.29Å; Y19-M23 WeakPolarHBondContact O-CG 3.28Å; Y19-M23 PolarHBondContact O-N 2.78Å; Y19-S219 VanDerWaalsContact CE1-O 3.28Å; Y19-S219 WeakPolarHBondContact CE1-O 3.02Å
20I95.2Very high91.4Very high0 Ų056.1 Ų56.10%029%0.291CS..Hα-helixtrans-57.6-44.9176.7-67.4161.9000111F4 I6 T16 T17 M23 A24 I31 L52 I55 Y59 L61F4-I20 HydrophobicContact CE2-CB 4.47Å; F4-I20 HydrophobicContact CE2-CG1 4Å; F4-I20 HydrophobicContact CZ-CB 4.4Å; F4-I20 HydrophobicContact CZ-CG1 4.37Å; F4-I20 HydrophobicContact CZ-CG2 4.17Å; I6-I20 HydrophobicContact CD1-CD1 4.22Å; I6-I20 HydrophobicContact CD1-CG1 3.82Å; I6-I20 HydrophobicContact CG1-CD1 4.14Å; I6-I20 HydrophobicContact CG1-CG1 4Å; T16-I20 HydrophobicContact CG2-CD1 4.34Å; T16-I20 WeakPolarHBondContact O-CG1 3.1Å; T16-I20 PolarHBondContact O-N 3.31Å; T17-I20 PolarHBondContact O-N 2.86Å; I20-M23 PolarHBondContact O-N 3.49Å; I20-A24 PolarHBondContact O-N 3.47Å; I20-A24 VanDerWaalsContact O-N 3.09Å; I20-I31 HydrophobicContact CG2-CD1 4Å; I20-L52 HydrophobicContact CD1-CD1 3.79Å; I20-I55 HydrophobicContact CB-CG2 4.15Å; I20-I55 HydrophobicContact CD1-CG2 4.13Å; I20-I55 HydrophobicContact CG2-CG2 3.49Å; I20-I55 VanDerWaalsContact CG2-CG2 3.49Å; I20-Y59 HydrophobicContact CG2-CD2 4.32Å; I20-L61 HydrophobicContact CG2-CD1 3.82Å
21K95.1Very high92.5Very high67 Ų6750.1 Ų50.129%0.29126%0.263SS..Hα-helixtrans-58.2-49.1175.5175.8-179.3175.5-179.10111.6T17 Q18 Y19 A24 E25 Y59T17-K21 PolarHBondContact O-N 3.1Å; T17-K21 VanDerWaalsContact O-N 3.15Å; Q18-K21 WeakPolarHBondContact O-CB 3.42Å; Q18-K21 PolarHBondContact O-N 2.63Å; Y19-K21 VanDerWaalsContact C-N 3.3Å; Y19-K21 PolarHBondContact O-N 3.08Å; K21-A24 PolarHBondContact O-N 3.48Å; K21-E25 WeakPolarHBondContact CE-OE1 3.35Å; K21-E25 HydrophobicContact CG-CG 4.46Å; K21-E25 IonicContact NZ-OE1 2.95Å; K21-E25 WeakPolarHBondContact O-CG 3.17Å; K21-E25 PolarHBondContact O-N 2.81Å; K21-Y59 HydrophobicContact CB-CE1 4.17Å; K21-Y59 HydrophobicContact CB-CE2 4.06Å; K21-Y59 WeakPolarHBondContact CB-OH 3.29Å; K21-Y59 WeakPolarHBondContact CD-OH 3.36Å; K21-Y59 HydrophobicContact CG-CE1 3.8Å; K21-Y59 WeakPolarHBondContact CG-OH 3.44Å
22E94.5Very high93.5Very high41 Ų4148.2 Ų48.219%0.19224%0.243CC..Hα-helixtrans-63.2-44.2-178.3-162.1178.9-175.300111Q18 Y19 A24 E25 Y26 L226Q18-E22 WeakPolarHBondContact O-CB 3.14Å; Q18-E22 PolarHBondContact O-N 3.39Å; Y19-E22 PolarHBondContact O-N 2.91Å; Y19-E22 VanDerWaalsContact O-N 3.15Å; E22-A24 VanDerWaalsContact C-N 3.33Å; E22-A24 PolarHBondContact O-N 2.98Å; E22-E25 PolarHBondContact O-N 3.27Å; E22-Y26 HydrophobicContact CG-CD2 3.98Å; E22-Y26 HydrophobicContact CG-CE2 3.76Å; E22-Y26 WeakPolarHBondContact O-CB 3.28Å; E22-Y26 WeakPolarHBondContact O-CD2 3.35Å; E22-Y26 PolarHBondContact O-N 2.86Å; E22-L226 HydrophobicContact CB-CD2 4.48Å; E22-L226 HydrophobicContact CG-CD2 3.68Å
23M96.6Very high94Very high0 Ų046.5 Ų46.50%023%0.234CC..Hα-helixtrans-57.6-45.4175.8-66.9-63.7-80.500111.8F4 Y19 I20 Y26 G27 F28 I216 L221 L226F4-M23 HydrophobicContact CB-CE 3.42Å; F4-M23 VanDerWaalsContact CB-CE 3.42Å; F4-M23 HydrophobicContact CD1-CB 3.74Å; F4-M23 HydrophobicContact CD1-CE 3.75Å; F4-M23 HydrophobicContact CD1-CG 4.08Å; F4-M23 HydrophobicContact CD2-CB 4.43Å; F4-M23 HydrophobicContact CD2-CE 4.34Å; F4-M23 HydrophobicContact CD2-CG 4.1Å; F4-M23 HydrophobicContact CE1-CB 3.39Å; F4-M23 HydrophobicContact CE1-CG 4.1Å; F4-M23 HydrophobicContact CE2-CB 4.12Å; F4-M23 HydrophobicContact CE2-CG 4.09Å; F4-M23 HydrophobicContact CG-CB 4.26Å; F4-M23 HydrophobicContact CG-CE 3.58Å; F4-M23 HydrophobicContact CG-CG 4.09Å; F4-M23 HydrophobicContact CZ-CB 3.59Å; F4-M23 HydrophobicContact CZ-CG 4.08Å; Y19-M23 HydrophobicContact CD1-CG 4.32Å; Y19-M23 HydrophobicContact CD2-CG 4.12Å; Y19-M23 HydrophobicContact CE1-CG 3.97Å; Y19-M23 HydrophobicContact CE2-CG 3.74Å; Y19-M23 HydrophobicContact CE2-SD 3.7Å; Y19-M23 HydrophobicContact CG-CG 4.4Å; Y19-M23 VanDerWaalsContact O-CG 3.29Å; Y19-M23 WeakPolarHBondContact O-CG 3.28Å; Y19-M23 PolarHBondContact O-N 2.78Å; I20-M23 PolarHBondContact O-N 3.49Å; M23-Y26 PolarHBondContact O-N 3.16Å; M23-G27 PolarHBondContact O-N 3.32Å; M23-F28 HydrophobicContact CB-CB 4.23Å; M23-F28 HydrophobicContact CB-CD2 4.42Å; M23-F28 HydrophobicContact CB-CG 4.43Å; M23-F28 HydrophobicContact CE-CD1 3.63Å; M23-F28 HydrophobicContact CE-CD2 3.79Å; M23-F28 HydrophobicContact CE-CE1 3.61Å; M23-F28 HydrophobicContact CE-CE2 3.78Å; M23-F28 HydrophobicContact CE-CG 3.73Å; M23-F28 HydrophobicContact CE-CZ 3.69Å; M23-F28 WeakPolarHBondContact O-CB 3.35Å; M23-F28 WeakPolarHBondContact O-CD2 3.31Å; M23-F28 PolarHBondContact O-N 2.85Å; M23-F28 HydrophobicContact SD-CD2 4.2Å; M23-F28 HydrophobicContact SD-CE2 4.22Å; M23-I216 HydrophobicContact CE-CG1 4.44Å; M23-L221 HydrophobicContact CE-CD1 4.18Å; M23-L226 HydrophobicContact CE-CD1 4.49Å; M23-L226 HydrophobicContact SD-CD1 3.41Å; M23-L226 WeakPolarHBondContact SD-CD1 3.49Å; M23-L226 HydrophobicContact SD-CD2 4.41Å
24A96.2Very high94Very high21 Ų2144 Ų4417%0.17422%0.219CC..Hα-helixtrans-62.6-47.5177.200000112.6I20 K21 E22 Y26 G27 Y59 L61I20-A24 PolarHBondContact O-N 3.47Å; I20-A24 VanDerWaalsContact O-N 3.09Å; K21-A24 PolarHBondContact O-N 3.48Å; E22-A24 VanDerWaalsContact C-N 3.33Å; E22-A24 PolarHBondContact O-N 2.98Å; A24-Y26 PolarHBondContact O-N 3.13Å; A24-Y26 VanDerWaalsContact O-N 3.16Å; A24-G27 PolarHBondContact O-N 2.97Å; A24-Y59 HydrophobicContact CB-CD1 4.19Å; A24-Y59 HydrophobicContact CB-CG 4.09Å; A24-L61 HydrophobicContact CB-CD1 4.28Å; A24-L61 HydrophobicContact CB-CD2 4.05Å; A24-L61 HydrophobicContact CB-CG 4.47Å
25E94.9Very high93.3Very high106 Ų10633.4 Ų33.450%0.49518%0.18SC..Hα-helixtrans-61.4-24.9177.6-72.7177167.700112.8K21 E22K21-E25 WeakPolarHBondContact CE-OE1 3.35Å; K21-E25 HydrophobicContact CG-CG 4.46Å; K21-E25 IonicContact NZ-OE1 2.95Å; K21-E25 WeakPolarHBondContact O-CG 3.17Å; K21-E25 PolarHBondContact O-N 2.81Å; E22-E25 PolarHBondContact O-N 3.27Å
26Y95Very high92.2Very high51 Ų5131.7 Ų31.720%0.217%0.168CC..THydrogen-bonded Turntrans-89.2-3.9178.9-81.6-117.3000113.5E22 M23 A24 L226 R227 S230E22-Y26 HydrophobicContact CG-CD2 3.98Å; E22-Y26 HydrophobicContact CG-CE2 3.76Å; E22-Y26 WeakPolarHBondContact O-CB 3.28Å; E22-Y26 WeakPolarHBondContact O-CD2 3.35Å; E22-Y26 PolarHBondContact O-N 2.86Å; M23-Y26 PolarHBondContact O-N 3.16Å; A24-Y26 PolarHBondContact O-N 3.13Å; A24-Y26 VanDerWaalsContact O-N 3.16Å; Y26-L226 HydrophobicContact CD1-CB 4.4Å; Y26-L226 HydrophobicContact CD1-CD1 4.08Å; Y26-L226 HydrophobicContact CD1-CD2 4.23Å; Y26-L226 HydrophobicContact CD1-CG 3.51Å; Y26-L226 WeakPolarHBondContact CD1-O 3.33Å; Y26-L226 HydrophobicContact CE1-CD2 4.36Å; Y26-L226 HydrophobicContact CE1-CG 3.9Å; Y26-L226 HydrophobicContact CG-CD1 4.1Å; Y26-L226 HydrophobicContact CG-CD2 4.29Å; Y26-L226 HydrophobicContact CG-CG 3.85Å; Y26-R227 HydrophobicContact CE1-CB 4.41Å; Y26-R227 HydrophobicContact CE1-CG 3.76Å; Y26-S230 VanDerWaalsContact O-CA 3.25Å; Y26-S230 WeakPolarHBondContact O-CA 3.46Å; Y26-S230 WeakPolarHBondContact O-CB 3.42Å; Y26-S230 PolarHBondContact O-OG 2.98Å
27G95.1Very high90.6Very high30 Ų3031.8 Ų31.831%0.30917%0.167SC..THydrogen-bonded Turntrans105.96.4170.900000115M23 A24M23-G27 PolarHBondContact O-N 3.32Å; A24-G27 PolarHBondContact O-N 2.97Å
28F97.1Very high88.7Confident5 Ų534.5 Ų34.52%0.02219%0.185CC..  trans-72.1142.2169.3-68.8-103.3000109.6F2 G3 F4 M23 L61 I216 L221 L226 F229F2-F28 HydrophobicContact CB-CD1 3.73Å; F2-F28 HydrophobicContact CB-CE1 3.83Å; F2-F28 HydrophobicContact CB-CG 4.44Å; F2-F28 WeakPolarHBondContact O-CA 3.33Å; G3-F28 WeakPolarHBondContact O-CD1 3.43Å; F4-F28 HydrophobicContact CD1-CB 3.8Å; F4-F28 HydrophobicContact CD1-CD1 4.18Å; F4-F28 HydrophobicContact CD1-CG 4.21Å; F4-F28 HydrophobicContact CE1-CB 3.99Å; M23-F28 HydrophobicContact CB-CB 4.23Å; M23-F28 HydrophobicContact CB-CD2 4.42Å; M23-F28 HydrophobicContact CB-CG 4.43Å; M23-F28 HydrophobicContact CE-CD1 3.63Å; M23-F28 HydrophobicContact CE-CD2 3.79Å; M23-F28 HydrophobicContact CE-CE1 3.61Å; M23-F28 HydrophobicContact CE-CE2 3.78Å; M23-F28 HydrophobicContact CE-CG 3.73Å; M23-F28 HydrophobicContact CE-CZ 3.69Å; M23-F28 WeakPolarHBondContact O-CB 3.35Å; M23-F28 WeakPolarHBondContact O-CD2 3.31Å; M23-F28 PolarHBondContact O-N 2.85Å; M23-F28 HydrophobicContact SD-CD2 4.2Å; M23-F28 HydrophobicContact SD-CE2 4.22Å; F28-L61 VanDerWaalsContact O-CD2 3.25Å; F28-L61 WeakPolarHBondContact O-CD2 3.34Å; F28-I216 HydrophobicContact CE1-CD1 4.37Å; F28-I216 HydrophobicContact CE1-CG1 3.95Å; F28-L221 HydrophobicContact CZ-CD1 3.96Å; F28-L226 HydrophobicContact CD2-CD1 4.32Å; F28-L226 HydrophobicContact CE2-CD1 3.73Å; F28-F229 HydrophobicContact CE1-CD1 4.45Å; F28-F229 HydrophobicContact CE2-CB 3.88Å; F28-F229 HydrophobicContact CE2-CD1 4.49Å; F28-F229 HydrophobicContact CE2-CG 4.19Å; F28-F229 HydrophobicContact CZ-CB 3.93Å; F28-F229 AromaticContact CZ-CD1 3.78Å; F28-F229 HydrophobicContact CZ-CD1 3.78Å; F28-F229 HydrophobicContact CZ-CD2 4.15Å; F28-F229 HydrophobicContact CZ-CE1 4.29Å; F28-F229 AromaticContact CZ-CG 3.7Å; F28-F229 HydrophobicContact CZ-CG 3.7Å
29S97Very high86.8Confident45 Ų4537.5 Ų37.532%0.31520%0.199SC..  trans-126.21.4-168.338.80000114.2M1 F2 L61 E62M1-S29 VanDerWaalsContact CE-O 3.27Å; M1-S29 WeakPolarHBondContact CE-O 3.47Å; M1-S29 WeakPolarHBondContact CE-OG 3.46Å; M1-S29 VanDerWaalsContact CG-OG 3.25Å; M1-S29 WeakPolarHBondContact CG-OG 3.36Å; F2-S29 PolarHBondContact O-N 3.31Å; F2-S29 PolarHBondContact O-OG 3.31Å; S29-L61 WeakPolarHBondContact O-CA 3.47Å; S29-E62 PolarHBondContact O-N 3Å
30G97.2Very high85.3Confident0 Ų038.1 Ų38.10%020%0.204CC..EExtended strand (participates in β ladder)trans-149148.5-178.400000113.8G3 F4 E62 Y215G3-G30 CarbonylContact C-O 3.44Å; G3-G30 WeakPolarHBondContact CA-O 3.21Å; F4-G30 WeakPolarHBondContact CD1-O 3.37Å; F4-G30 PolarHBondContact N-O 3.3Å; G30-E62 CarbonylContact C-O 3.6Å; G30-E62 WeakPolarHBondContact CA-O 3.24Å; G30-Y215 WeakPolarHBondContact CA-OH 3.35Å
31I97.6Very high83.9Confident0 Ų041.9 Ų41.90%022%0.224CC..EExtended strand (participates in β ladder)trans-116.4131175.9-61.4-179.7000108.5F4 I6 I20 L52 A56 L61 E62 L63 M64F4-I31 HydrophobicContact CE1-CG1 4.03Å; F4-I31 HydrophobicContact CE2-CD1 4.33Å; F4-I31 HydrophobicContact CE2-CG1 4Å; F4-I31 HydrophobicContact CZ-CD1 4Å; F4-I31 HydrophobicContact CZ-CG1 3.63Å; F4-I31 CarbonylContact O-C 3.43Å; F4-I31 VanDerWaalsContact O-CA 3.31Å; F4-I31 WeakPolarHBondContact O-CA 3.38Å; I6-I31 HydrophobicContact CB-CG2 4.13Å; I6-I31 HydrophobicContact CG1-CG2 3.99Å; I20-I31 HydrophobicContact CG2-CD1 4Å; I31-L52 HydrophobicContact CD1-CD1 4.1Å; I31-L52 HydrophobicContact CG2-CD2 4.34Å; I31-A56 HydrophobicContact CD1-CB 4.32Å; I31-L61 HydrophobicContact CD1-CB 4.41Å; I31-L61 HydrophobicContact CD1-CD1 3.63Å; I31-L61 HydrophobicContact CG1-CB 4.3Å; I31-L61 HydrophobicContact CG1-CD1 3.9Å; I31-E62 PolarHBondContact N-O 3.27Å; I31-L63 HydrophobicContact CB-CD1 3.91Å; I31-L63 HydrophobicContact CG2-CD1 3.71Å; I31-L63 WeakPolarHBondContact O-CA 3.32Å; I31-M64 PolarHBondContact O-N 3.15Å
32F96.4Very high82.6Confident1 Ų140 Ų400%0.00422%0.222CC..EExtended strand (participates in β ladder)trans-103.7137.9164.5175.1-98.7000109.3F4 S5 I6 M64 D66 W141 Y144 F174 Y215F4-F32 PolarHBondContact O-N 2.99Å; S5-F32 CarbonylContact C-O 3.56Å; S5-F32 VanDerWaalsContact CA-O 3.27Å; S5-F32 WeakPolarHBondContact CA-O 3.34Å; I6-F32 PolarHBondContact N-O 3.38Å; F32-M64 HydrophobicContact CD2-CB 4.41Å; F32-M64 HydrophobicContact CD2-CG 4.15Å; F32-D66 HydrophobicContact CE2-CB 3.65Å; F32-D66 HydrophobicContact CZ-CB 3.57Å; F32-W141 HydrophobicContact CB-CH2 4.47Å; F32-W141 HydrophobicContact CB-CZ3 4.05Å; F32-W141 AromaticContact CD2-CE3 3.94Å; F32-W141 HydrophobicContact CD2-CE3 3.94Å; F32-W141 HydrophobicContact CD2-CH2 4.18Å; F32-W141 AromaticContact CD2-CZ3 3.38Å; F32-W141 HydrophobicContact CD2-CZ3 3.38Å; F32-W141 HydrophobicContact CE2-CE3 4.23Å; F32-W141 HydrophobicContact CE2-CZ3 4.14Å; F32-W141 AromaticContact CG-CZ3 3.98Å; F32-W141 HydrophobicContact CG-CZ3 3.98Å; F32-Y144 AromaticContact CE1-CE1 3.83Å; F32-Y144 HydrophobicContact CE1-CE1 3.83Å; F32-Y144 HydrophobicContact CZ-CE1 4.49Å; F32-F174 HydrophobicContact CB-CE1 4.3Å; F32-F174 AromaticContact CD1-CE1 3.81Å; F32-F174 HydrophobicContact CD1-CE1 3.81Å; F32-F174 AromaticContact CD1-CZ 3.79Å; F32-F174 HydrophobicContact CD1-CZ 3.79Å; F32-F174 HydrophobicContact CD2-CZ 4.07Å; F32-F174 HydrophobicContact CE1-CE1 4.32Å; F32-F174 AromaticContact CE1-CZ 3.96Å; F32-F174 HydrophobicContact CE1-CZ 3.96Å; F32-F174 HydrophobicContact CE2-CZ 4.18Å; F32-F174 AromaticContact CG-CE1 3.98Å; F32-F174 HydrophobicContact CG-CE1 3.98Å; F32-F174 AromaticContact CG-CZ 3.85Å; F32-F174 HydrophobicContact CG-CZ 3.85Å; F32-F174 HydrophobicContact CZ-CZ 4.13Å; F32-Y215 HydrophobicContact CB-CD1 3.64Å; F32-Y215 HydrophobicContact CB-CE1 3.91Å
33T93.6Very high81.4Confident0 Ų042.4 Ų42.40%024%0.242CC..EExtended strand (participates in β ladder)trans-139.7146.4170.4-167.10000110.3I6 L8 L49 L52 L63 M64 V65 D66I6-T33 WeakPolarHBondContact O-CA 3.31Å; I6-T33 WeakPolarHBondContact O-CB 3.34Å; I6-T33 PolarHBondContact O-OG1 3.32Å; L8-T33 HydrophobicContact CD1-CG2 4.43Å; T33-L49 HydrophobicContact CG2-CD1 4.49Å; T33-L52 HydrophobicContact CG2-CD2 4.04Å; T33-L63 HydrophobicContact CG2-CD1 4.08Å; T33-M64 PolarHBondContact N-O 2.89Å; T33-V65 HydrophobicContact CG2-CB 4.25Å; T33-V65 HydrophobicContact CG2-CG1 4.12Å; T33-V65 HydrophobicContact CG2-CG2 3.87Å; T33-D66 PolarHBondContact O-N 3.22Å
34S87.3Confident80.5Confident10 Ų1046.4 Ų46.47%0.0726%0.261CS..EExtended strand (participates in β ladder)trans-123.4133.9176.2178.20000110.3D66S34-D66 WeakPolarHBondContact CA-O 3.21Å; S34-D66 PolarHBondContact OG-OD1 2.97Å
35L75.9Confident79.8Confident7 Ų746.1 Ų46.14%0.03726%0.256CS..  trans-105.526.1-175.1-74.5165.6000113.1L8 I37 Y45 L49 V65 D66 I67L8-L35 HydrophobicContact CB-CD2 4.27Å; L8-L35 HydrophobicContact CD1-CD2 4Å; L35-I37 PolarHBondContact O-N 2.71Å; L35-Y45 HydrophobicContact CD2-CD1 3.25Å; L35-Y45 HydrophobicContact CD2-CE1 3.5Å; L35-Y45 VanDerWaalsContact CD2-CE1 3.5Å; L35-Y45 HydrophobicContact CD2-CG 4Å; L35-L49 HydrophobicContact CD1-CD2 4.3Å; L35-V65 HydrophobicContact CD1-CG1 3.57Å; L35-V65 HydrophobicContact CG-CG1 4.39Å; L35-D66 PolarHBondContact N-O 3.45Å; L35-I67 HydrophobicContact CB-CB 4.46Å; L35-I67 HydrophobicContact CB-CD1 4.24Å; L35-I67 HydrophobicContact CB-CG1 4.03Å; L35-I67 HydrophobicContact CD1-CB 4.43Å; L35-I67 HydrophobicContact CD1-CD1 3.54Å; L35-I67 HydrophobicContact CD1-CG1 4.13Å
36H64Low79.3Confident75 Ų7547.4 Ų47.435%0.34726%0.256SS..  trans-92.679.7179.3-83.1100.3000112.7D66 S68 D96H36-D66 IonicContact CE1-OD1 3.69Å; H36-D66 IonicContact ND1-OD1 3.94Å; H36-D66 PolarHBondContact ND1-OD1 2.98Å; H36-D66 VanDerWaalsContact ND1-OD1 3.14Å; H36-S68 PolarHBondContact CE1-N 3.35Å; H36-S68 WeakPolarHBondContact NE2-CB 3.28Å; H36-S68 PolarHBondContact NE2-OG 2.82Å; H36-S68 VanDerWaalsContact NE2-OG 3.08Å; H36-D96 IonicContact CE1-OD2 3.34Å; H36-D96 PolarHBondContact CE1-OD2 2.96Å; H36-D96 IonicContact ND1-OD2 2.82Å; H36-D96 IonicContact NE2-OD2 3.52Å; H36-D96 PolarHBondContact NE2-OD2 3.28Å
37I55.2Low79Confident39 Ų3951.8 Ų51.820%0.228%0.276CS..  trans-138.4103.7168.5-53.5-179.4000109.6N9 L35 E39 D40 Y45N9-I37 HydrophobicContact CB-CD1 3.26Å; L35-I37 PolarHBondContact O-N 2.71Å; I37-E39 HydrophobicContact CG2-CB 4.09Å; I37-E39 WeakPolarHBondContact CG2-OE2 3.45Å; I37-E39 PolarHBondContact O-N 2.72Å; I37-D40 HydrophobicContact CB-CB 4.25Å; I37-D40 HydrophobicContact CG2-CB 4.17Å; I37-D40 PolarHBondContact O-N 3.02Å; I37-Y45 PolarHBondContact O-OH 3.39Å
38P53.4Low78.7Confident106 Ų10651.4 Ų51.469%0.68827%0.265SS*.THydrogen-bonded Turntrans-54.4-27.9174.2-25.132.4000114.2
39E53.2Low78.4Confident161 Ų16151.2 Ų51.275%0.75227%0.265SS*.THydrogen-bonded Turntrans-87-10.4-171.7-57.179-17000114.5I37I37-E39 HydrophobicContact CG2-CB 4.09Å; I37-E39 WeakPolarHBondContact CG2-OE2 3.45Å; I37-E39 PolarHBondContact O-N 2.72Å
40D60.3Low78.1Confident35 Ų3551.4 Ų51.419%0.18726%0.264CS..SBendtrans-88.9151.1-174.1-145.3-16.5000112.4N9 I37 A42 Y45 R48N9-D40 WeakPolarHBondContact CA-OD2 3.29Å; I37-D40 HydrophobicContact CB-CB 4.25Å; I37-D40 HydrophobicContact CG2-CB 4.17Å; I37-D40 PolarHBondContact O-N 3.02Å; D40-A42 PolarHBondContact O-N 2.97Å; D40-Y45 HydrophobicContact CB-CE1 4.41Å; D40-Y45 HydrophobicContact CB-CE2 4.11Å; D40-Y45 WeakPolarHBondContact CB-OH 3.36Å; D40-R48 IonicContact OD1-CZ 3.74Å; D40-R48 IonicContact OD1-NH1 3.65Å; D40-R48 PolarHBondContact OD1-NH1 3.21Å; D40-R48 IonicContact OD1-NH2 3.91Å; D40-R48 IonicContact OD2-CZ 3.6Å; D40-R48 IonicContact OD2-NH1 3.79Å; D40-R48 PolarHBondContact OD2-NH1 3.48Å
41D65.7Low77.9Confident79 Ų7954.7 Ų54.742%0.42228%0.282SS..  trans-70.198.8178.71776.7000109.8S43 Q44D41-S43 PolarHBondContact O-N 2.93Å; D41-S43 VanDerWaalsContact OD1-CB 3.28Å; D41-S43 WeakPolarHBondContact OD1-CB 3.28Å; D41-S43 PolarHBondContact OD1-N 3.39Å; D41-S43 VanDerWaalsContact OD1-N 3.13Å; D41-S43 PolarHBondContact OD1-OG 2.98Å; D41-S43 PolarHBondContact OD2-OG 2.93Å; D41-Q44 HydrophobicContact CB-CG 4.32Å; D41-Q44 PolarHBondContact O-N 3.24Å; D41-Q44 PolarHBondContact OD2-NE2 3.26Å
42A67.5Low77.8Confident29 Ų2954.7 Ų54.724%0.2428%0.282CS..Hα-helixtrans-54.5-24.7-175.900000113.7D40 Q44 Y45 R74D40-A42 PolarHBondContact O-N 2.97Å; A42-Q44 PolarHBondContact O-N 3.48Å; A42-Y45 HydrophobicContact CB-CD2 4.23Å; A42-Y45 PolarHBondContact O-N 3.26Å; A42-R74 HydrophobicContact CB-CB 4.33Å
43S69.7Low77.7Confident90 Ų9054.7 Ų54.763%0.62928%0.281SS*.Hα-helixtrans-64.5-21.1177.476.70000113.5D41D41-S43 PolarHBondContact O-N 2.93Å; D41-S43 VanDerWaalsContact OD1-CB 3.28Å; D41-S43 WeakPolarHBondContact OD1-CB 3.28Å; D41-S43 PolarHBondContact OD1-N 3.39Å; D41-S43 VanDerWaalsContact OD1-N 3.13Å; D41-S43 PolarHBondContact OD1-OG 2.98Å; D41-S43 PolarHBondContact OD2-OG 2.93Å
44Q78.9Confident77.8Confident84 Ų8458 Ų5839%0.39330%0.304SS..Hα-helixtrans-90.8-20.4-178.6-59.3-16722.800113.7D41 A42 R46 K47 R48D41-Q44 HydrophobicContact CB-CG 4.32Å; D41-Q44 PolarHBondContact O-N 3.24Å; D41-Q44 PolarHBondContact OD2-NE2 3.26Å; A42-Q44 PolarHBondContact O-N 3.48Å; Q44-R46 VanDerWaalsContact C-N 3.31Å; Q44-R46 PolarHBondContact O-N 2.96Å; Q44-K47 PolarHBondContact O-N 2.88Å; Q44-K47 VanDerWaalsContact O-N 3.12Å; Q44-R48 WeakPolarHBondContact O-CG 3.44Å; Q44-R48 PolarHBondContact O-N 3.36Å
45Y79.9Confident78.2Confident16 Ų1658.7 Ų58.76%0.06331%0.307CS..Hα-helixtrans-60-40.3-174.6-76.8-54.7000112.9L35 I37 D40 A42 K47 R48 L49L35-Y45 HydrophobicContact CD2-CD1 3.25Å; L35-Y45 HydrophobicContact CD2-CE1 3.5Å; L35-Y45 VanDerWaalsContact CD2-CE1 3.5Å; L35-Y45 HydrophobicContact CD2-CG 4Å; I37-Y45 PolarHBondContact O-OH 3.39Å; D40-Y45 HydrophobicContact CB-CE1 4.41Å; D40-Y45 HydrophobicContact CB-CE2 4.11Å; D40-Y45 WeakPolarHBondContact CB-OH 3.36Å; A42-Y45 HydrophobicContact CB-CD2 4.23Å; A42-Y45 PolarHBondContact O-N 3.26Å; Y45-K47 VanDerWaalsContact C-N 3.27Å; Y45-K47 PolarHBondContact O-N 3.49Å; Y45-R48 PolarHBondContact O-N 2.99Å; Y45-L49 VanDerWaalsContact O-CB 3.3Å; Y45-L49 WeakPolarHBondContact O-CB 3.28Å; Y45-L49 PolarHBondContact O-N 3.18Å
46R85.3Confident79.2Confident132 Ų13258.3 Ų58.350%0.49831%0.306SS..Hα-helixtrans-55.2-46.7177.3-164.1173.7-173.2-126.91.7111.5Q44 T50 A75 F77Q44-R46 VanDerWaalsContact C-N 3.31Å; Q44-R46 PolarHBondContact O-N 2.96Å; R46-T50 VanDerWaalsContact O-CB 3.3Å; R46-T50 WeakPolarHBondContact O-CB 3.4Å; R46-T50 PolarHBondContact O-N 3.42Å; R46-T50 PolarHBondContact O-OG1 3.01Å; R46-A75 VanDerWaalsContact CB-O 3.32Å; R46-A75 WeakPolarHBondContact CB-O 3.48Å; R46-F77 HydrophobicContact CB-CE2 4.4Å; R46-F77 HydrophobicContact CG-CE2 3.84Å; R46-F77 HydrophobicContact CG-CZ 3.69Å
47K88.3Confident80.7Confident143 Ų14359.8 Ų59.862%0.62231%0.311SS*.Hα-helixtrans-66.8-50.9178.9-176.4-177.5174-170.90110.8Q44 Y45 L49 T50 D51Q44-K47 PolarHBondContact O-N 2.88Å; Q44-K47 VanDerWaalsContact O-N 3.12Å; Y45-K47 VanDerWaalsContact C-N 3.27Å; Y45-K47 PolarHBondContact O-N 3.49Å; K47-L49 VanDerWaalsContact C-N 3.33Å; K47-L49 PolarHBondContact O-N 3.36Å; K47-T50 PolarHBondContact O-N 2.67Å; K47-T50 VanDerWaalsContact O-N 3.15Å; K47-D51 WeakPolarHBondContact O-CB 3.4Å; K47-D51 PolarHBondContact O-N 3.45Å
48R88.8Confident82.6Confident22 Ų2262.5 Ų62.58%0.08333%0.329CS..Hα-helixtrans-58.7-42.4-178.9-67.6-178.2-170168.56.4112.3L8 N9 D40 Q44 Y45 D51 L52L8-R48 HydrophobicContact CD2-CB 4.32Å; L8-R48 WeakPolarHBondContact O-CD 3.46Å; L8-R48 PolarHBondContact O-NH1 3.5Å; N9-R48 PolarHBondContact O-NH1 3.1Å; D40-R48 IonicContact OD1-CZ 3.74Å; D40-R48 IonicContact OD1-NH1 3.65Å; D40-R48 PolarHBondContact OD1-NH1 3.21Å; D40-R48 IonicContact OD1-NH2 3.91Å; D40-R48 IonicContact OD2-CZ 3.6Å; D40-R48 IonicContact OD2-NH1 3.79Å; D40-R48 PolarHBondContact OD2-NH1 3.48Å; Q44-R48 WeakPolarHBondContact O-CG 3.44Å; Q44-R48 PolarHBondContact O-N 3.36Å; Y45-R48 PolarHBondContact O-N 2.99Å; R48-D51 PolarHBondContact O-N 3.42Å; R48-L52 WeakPolarHBondContact O-CB 3.17Å; R48-L52 PolarHBondContact O-N 2.91Å
49L90.7Very high84.7Confident1 Ų161.1 Ų61.11%0.00531%0.311CS..Hα-helixtrans-70.3-38.2177-174.162.2000112.2L8 T33 L35 Y45 K47 L52 G53 L63 V65 F77 L85 I88 V90L8-L49 HydrophobicContact CD1-CB 4.48Å; L8-L49 HydrophobicContact CD1-CD1 4.28Å; T33-L49 HydrophobicContact CG2-CD1 4.49Å; L35-L49 HydrophobicContact CD1-CD2 4.3Å; Y45-L49 VanDerWaalsContact O-CB 3.3Å; Y45-L49 WeakPolarHBondContact O-CB 3.28Å; Y45-L49 PolarHBondContact O-N 3.18Å; K47-L49 VanDerWaalsContact C-N 3.33Å; K47-L49 PolarHBondContact O-N 3.36Å; L49-L52 PolarHBondContact O-N 3.43Å; L49-G53 PolarHBondContact O-N 3.34Å; L49-L63 HydrophobicContact CD1-CD2 4.4Å; L49-V65 HydrophobicContact CD1-CG1 4.49Å; L49-V65 HydrophobicContact CD1-CG2 3.86Å; L49-F77 HydrophobicContact CD2-CD2 4.43Å; L49-F77 HydrophobicContact CD2-CE2 3.97Å; L49-L85 HydrophobicContact CD2-CD2 4.41Å; L49-I88 HydrophobicContact CD2-CD1 3.92Å; L49-I88 HydrophobicContact CG-CD1 3.8Å; L49-V90 HydrophobicContact CD1-CG2 4.32Å; L49-V90 HydrophobicContact CD2-CG2 4.35Å; L49-V90 HydrophobicContact CG-CG2 4.43Å
50T91.8Very high86.7Confident49 Ų4962 Ų6230%0.30132%0.315SS..Hα-helixtrans-62.8-44174.2-58.40000111.3R46 K47 G53 S54 I88R46-T50 VanDerWaalsContact O-CB 3.3Å; R46-T50 WeakPolarHBondContact O-CB 3.4Å; R46-T50 PolarHBondContact O-N 3.42Å; R46-T50 PolarHBondContact O-OG1 3.01Å; K47-T50 PolarHBondContact O-N 2.67Å; K47-T50 VanDerWaalsContact O-N 3.15Å; T50-G53 PolarHBondContact O-N 3.31Å; T50-S54 WeakPolarHBondContact O-CB 3.36Å; T50-S54 PolarHBondContact O-N 3.09Å; T50-I88 HydrophobicContact CG2-CB 4.47Å; T50-I88 HydrophobicContact CG2-CG2 4.03Å
51D92.8Very high88.5Confident70 Ų7060.8 Ų60.837%0.37431%0.308SS..Hα-helixtrans-63.6-45.9177.5-66.2-19.2000110.4L12 K47 R48 S54 I55L12-D51 HydrophobicContact CD1-CB 3.81Å; K47-D51 WeakPolarHBondContact O-CB 3.4Å; K47-D51 PolarHBondContact O-N 3.45Å; R48-D51 PolarHBondContact O-N 3.42Å; D51-S54 PolarHBondContact O-N 3.17Å; D51-I55 WeakPolarHBondContact O-CG1 3.45Å; D51-I55 PolarHBondContact O-N 3.48Å; D51-I55 VanDerWaalsContact O-N 3.1Å
52L94.8Very high90Very high0 Ų060.6 Ų60.60%031%0.305CS..Hα-helixtrans-61.2-46176.3-177.459.8000111.8I6 L8 L12 I20 I31 T33 R48 L49 S54 I55 A56 L63I6-L52 HydrophobicContact CB-CD1 4.42Å; I6-L52 HydrophobicContact CB-CD2 4.5Å; I6-L52 HydrophobicContact CG1-CD1 4.43Å; I6-L52 HydrophobicContact CG2-CD1 4.14Å; I6-L52 HydrophobicContact CG2-CD2 4.33Å; L8-L52 HydrophobicContact CD1-CD2 4.13Å; L8-L52 HydrophobicContact CD2-CB 4.49Å; L8-L52 HydrophobicContact CD2-CD2 4.12Å; L8-L52 HydrophobicContact CG-CD2 4.37Å; L12-L52 HydrophobicContact CD1-CB 3.98Å; I20-L52 HydrophobicContact CD1-CD1 3.79Å; I31-L52 HydrophobicContact CD1-CD1 4.1Å; I31-L52 HydrophobicContact CG2-CD2 4.34Å; T33-L52 HydrophobicContact CG2-CD2 4.04Å; R48-L52 WeakPolarHBondContact O-CB 3.17Å; R48-L52 PolarHBondContact O-N 2.91Å; L49-L52 PolarHBondContact O-N 3.43Å; L52-S54 VanDerWaalsContact C-N 3.34Å; L52-S54 PolarHBondContact O-N 3.47Å; L52-I55 PolarHBondContact O-N 2.9Å; L52-A56 WeakPolarHBondContact O-CB 3.33Å; L52-A56 PolarHBondContact O-N 3.1Å; L52-L63 HydrophobicContact CD2-CD1 3.8Å; L52-L63 HydrophobicContact CD2-CD2 4.48Å; L52-L63 HydrophobicContact CG-CD1 4.2Å; L52-L63 HydrophobicContact CG-CD2 4.29Å
53G95.6Very high91.4Very high0 Ų059.2 Ų59.20%029%0.294CS..Hα-helixtrans-63.9-37.4179.100000112.8L49 T50 A56 K57 I88L49-G53 PolarHBondContact O-N 3.34Å; T50-G53 PolarHBondContact O-N 3.31Å; G53-A56 PolarHBondContact O-N 3.42Å; G53-K57 WeakPolarHBondContact O-CG 3.39Å; G53-K57 PolarHBondContact O-N 2.77Å; G53-I88 CarbonylContact C-O 3.56Å; G53-I88 WeakPolarHBondContact CA-O 3.45Å
54S94.7Very high92.7Very high69 Ų6955.2 Ų55.248%0.48327%0.265SS..Hα-helixtrans-63.1-41.7173.7-176.10000112T50 D51 L52 T58 I88T50-S54 WeakPolarHBondContact O-CB 3.36Å; T50-S54 PolarHBondContact O-N 3.09Å; D51-S54 PolarHBondContact O-N 3.17Å; L52-S54 VanDerWaalsContact C-N 3.34Å; L52-S54 PolarHBondContact O-N 3.47Å; S54-T58 PolarHBondContact O-N 2.95Å; S54-T58 PolarHBondContact O-OG1 3.26Å; S54-I88 PolarHBondContact N-O 3.27Å
55I95.3Very high93.4Very high25 Ų2551.3 Ų51.313%0.12825%0.247CC..Hα-helixtrans-65.6-46.2175-64.4165.1000110.3L12 T17 I20 D51 L52 K57 T58 Y59L12-I55 HydrophobicContact CD1-CD1 4.02Å; T17-I55 HydrophobicContact CG2-CD1 4.08Å; I20-I55 HydrophobicContact CB-CG2 4.15Å; I20-I55 HydrophobicContact CD1-CG2 4.13Å; I20-I55 HydrophobicContact CG2-CG2 3.49Å; I20-I55 VanDerWaalsContact CG2-CG2 3.49Å; D51-I55 WeakPolarHBondContact O-CG1 3.45Å; D51-I55 PolarHBondContact O-N 3.48Å; D51-I55 VanDerWaalsContact O-N 3.1Å; L52-I55 PolarHBondContact O-N 2.9Å; I55-K57 VanDerWaalsContact C-N 3.35Å; I55-K57 PolarHBondContact O-N 2.88Å; I55-T58 WeakPolarHBondContact O-CB 3.48Å; I55-T58 PolarHBondContact O-N 3.32Å; I55-T58 VanDerWaalsContact O-N 3.11Å; I55-Y59 HydrophobicContact CG2-CD2 3.83Å; I55-Y59 HydrophobicContact CG2-CE2 3.91Å; I55-Y59 VanDerWaalsContact O-CD2 3.31Å; I55-Y59 WeakPolarHBondContact O-CD2 3.35Å; I55-Y59 PolarHBondContact O-N 3.11Å; I55-Y59 VanDerWaalsContact O-N 3.13Å
56A96.7Very high93.9Very high0 Ų050.9 Ų50.90%025%0.246CC..Hα-helixtrans-57.5-45.9177.900000111.7I31 L52 G53 T58 Y59 Q60 L61 L63I31-A56 HydrophobicContact CD1-CB 4.32Å; L52-A56 WeakPolarHBondContact O-CB 3.33Å; L52-A56 PolarHBondContact O-N 3.1Å; G53-A56 PolarHBondContact O-N 3.42Å; A56-T58 VanDerWaalsContact C-N 3.34Å; A56-T58 PolarHBondContact O-N 3.48Å; A56-Y59 CarbonylContact O-C 3.57Å; A56-Y59 PolarHBondContact O-N 3.26Å; A56-Q60 PolarHBondContact O-N 3.31Å; A56-L61 HydrophobicContact CB-CB 4.24Å; A56-L61 PolarHBondContact O-N 2.82Å; A56-L63 HydrophobicContact CB-CB 4.25Å; A56-L63 HydrophobicContact CB-CD2 4.48Å
57K95.7Very high93.6Very high106 Ų10644.6 Ų44.646%0.46122%0.222SC..Hα-helixtrans-58.5-43.6173.6-78.3-172.2178.3-171.80112.9G53 I55 Y59 Q60 K86 E87G53-K57 WeakPolarHBondContact O-CG 3.39Å; G53-K57 PolarHBondContact O-N 2.77Å; I55-K57 VanDerWaalsContact C-N 3.35Å; I55-K57 PolarHBondContact O-N 2.88Å; K57-Y59 PolarHBondContact O-N 2.69Å; K57-Q60 PolarHBondContact O-N 2.87Å; K57-K86 WeakPolarHBondContact CE-O 3.34Å; K57-K86 PolarHBondContact NZ-O 3.1Å; K57-E87 VanDerWaalsContact NZ-C 3.3Å; K57-E87 PolarHBondContact NZ-O 3.47Å
58T96Very high93.1Very high96 Ų9638.8 Ų38.859%0.58920%0.2SC*.Hα-helixtrans-59.2-37.8-179.4-60.10000111.4S54 I55 A56S54-T58 PolarHBondContact O-N 2.95Å; S54-T58 PolarHBondContact O-OG1 3.26Å; I55-T58 WeakPolarHBondContact O-CB 3.48Å; I55-T58 PolarHBondContact O-N 3.32Å; I55-T58 VanDerWaalsContact O-N 3.11Å; A56-T58 VanDerWaalsContact C-N 3.34Å; A56-T58 PolarHBondContact O-N 3.48Å
59Y95.9Very high92.4Very high77 Ų7738.7 Ų38.730%0.30221%0.205SC..THydrogen-bonded Turntrans-101.210.4-179.8-63.9-68.1000114.3I20 K21 A24 I55 A56 K57 L61I20-Y59 HydrophobicContact CG2-CD2 4.32Å; K21-Y59 HydrophobicContact CB-CE1 4.17Å; K21-Y59 HydrophobicContact CB-CE2 4.06Å; K21-Y59 WeakPolarHBondContact CB-OH 3.29Å; K21-Y59 WeakPolarHBondContact CD-OH 3.36Å; K21-Y59 HydrophobicContact CG-CE1 3.8Å; K21-Y59 WeakPolarHBondContact CG-OH 3.44Å; A24-Y59 HydrophobicContact CB-CD1 4.19Å; A24-Y59 HydrophobicContact CB-CG 4.09Å; I55-Y59 HydrophobicContact CG2-CD2 3.83Å; I55-Y59 HydrophobicContact CG2-CE2 3.91Å; I55-Y59 VanDerWaalsContact O-CD2 3.31Å; I55-Y59 WeakPolarHBondContact O-CD2 3.35Å; I55-Y59 PolarHBondContact O-N 3.11Å; I55-Y59 VanDerWaalsContact O-N 3.13Å; A56-Y59 CarbonylContact O-C 3.57Å; A56-Y59 PolarHBondContact O-N 3.26Å; K57-Y59 PolarHBondContact O-N 2.69Å; Y59-L61 PolarHBondContact O-N 3.19Å
60Q96Very high91.8Very high178 Ų17845.7 Ų45.783%0.83224%0.238SC*.THydrogen-bonded Turntrans53.838.9-179.4-56177.63.300113.5A56 K57A56-Q60 PolarHBondContact O-N 3.31Å; K57-Q60 PolarHBondContact O-N 2.87Å
61L97.4Very high91Very high10 Ų1043.8 Ų43.85%0.05223%0.227CC..  trans-90.5137.9178.4-58.6172.5000110.2F4 I20 A24 F28 S29 I31 A56 Y59F4-L61 HydrophobicContact CE1-CD1 4.37Å; F4-L61 HydrophobicContact CZ-CD1 4.16Å; I20-L61 HydrophobicContact CG2-CD1 3.82Å; A24-L61 HydrophobicContact CB-CD1 4.28Å; A24-L61 HydrophobicContact CB-CD2 4.05Å; A24-L61 HydrophobicContact CB-CG 4.47Å; F28-L61 VanDerWaalsContact O-CD2 3.25Å; F28-L61 WeakPolarHBondContact O-CD2 3.34Å; S29-L61 WeakPolarHBondContact O-CA 3.47Å; I31-L61 HydrophobicContact CD1-CB 4.41Å; I31-L61 HydrophobicContact CD1-CD1 3.63Å; I31-L61 HydrophobicContact CG1-CB 4.3Å; I31-L61 HydrophobicContact CG1-CD1 3.9Å; A56-L61 HydrophobicContact CB-CB 4.24Å; A56-L61 PolarHBondContact O-N 2.82Å; Y59-L61 PolarHBondContact O-N 3.19Å
62E97.5Very high90.3Very high76 Ų7640.5 Ų40.536%0.35521%0.209SC..EExtended strand (participates in β ladder)trans-61.6143.1162.4-68.4-178.2-173.200109.4M1 S29 G30 I31 K213M1-E62 HydrophobicContact CE-CB 4.18Å; M1-E62 HydrophobicContact CE-CG 4.04Å; M1-E62 WeakPolarHBondContact CE-OE2 3.35Å; S29-E62 PolarHBondContact O-N 3Å; G30-E62 CarbonylContact C-O 3.6Å; G30-E62 WeakPolarHBondContact CA-O 3.24Å; I31-E62 PolarHBondContact N-O 3.27Å; E62-K213 IonicContact OE1-NZ 3.66Å; E62-K213 IonicContact OE2-NZ 2.69Å; E62-K213 PolarHBondContact OE2-NZ 3.03Å
63L97.4Very high89.6Confident0 Ų045.2 Ų45.20%023%0.234CC..EExtended strand (participates in β ladder)trans-127.7103.7175.717759.2000109.5I31 T33 L49 L52 A56 V65 V90 T91 G92I31-L63 HydrophobicContact CB-CD1 3.91Å; I31-L63 HydrophobicContact CG2-CD1 3.71Å; I31-L63 WeakPolarHBondContact O-CA 3.32Å; T33-L63 HydrophobicContact CG2-CD1 4.08Å; L49-L63 HydrophobicContact CD1-CD2 4.4Å; L52-L63 HydrophobicContact CD2-CD1 3.8Å; L52-L63 HydrophobicContact CD2-CD2 4.48Å; L52-L63 HydrophobicContact CG-CD1 4.2Å; L52-L63 HydrophobicContact CG-CD2 4.29Å; A56-L63 HydrophobicContact CB-CB 4.25Å; A56-L63 HydrophobicContact CB-CD2 4.48Å; L63-V65 HydrophobicContact CD1-CG2 4.4Å; L63-V65 HydrophobicContact CD2-CG2 4.5Å; L63-V65 HydrophobicContact CG-CG2 4.04Å; L63-V90 HydrophobicContact CD2-CG2 4.14Å; L63-T91 PolarHBondContact N-OG1 3.06Å; L63-T91 PolarHBondContact O-N 3.4Å; L63-T91 PolarHBondContact O-OG1 2.85Å; L63-G92 PolarHBondContact O-N 3.31Å
64M96.6Very high88.8Confident6 Ų651.9 Ų51.93%0.0326%0.26CS..EExtended strand (participates in β ladder)trans-92.9122.2173-177.959.96800109.6I31 F32 T33 R94 T112 A114 W141I31-M64 PolarHBondContact O-N 3.15Å; F32-M64 HydrophobicContact CD2-CB 4.41Å; F32-M64 HydrophobicContact CD2-CG 4.15Å; T33-M64 PolarHBondContact N-O 2.89Å; M64-R94 HydrophobicContact CG-CB 4.28Å; M64-R94 HydrophobicContact SD-CB 4.05Å; M64-R94 PolarHBondContact SD-N 3.44Å; M64-R94 VanDerWaalsContact SD-N 3.44Å; M64-T112 HydrophobicContact CE-CG2 4.05Å; M64-A114 HydrophobicContact CE-CB 3.77Å; M64-A114 HydrophobicContact SD-CB 3.81Å; M64-W141 HydrophobicContact CB-CH2 3.7Å; M64-W141 HydrophobicContact CB-CZ2 3.93Å; M64-W141 HydrophobicContact CB-CZ3 4.42Å; M64-W141 HydrophobicContact CE-CZ2 3.97Å; M64-W141 HydrophobicContact CG-CE3 4.48Å; M64-W141 HydrophobicContact CG-CH2 3.71Å; M64-W141 HydrophobicContact CG-CZ2 3.73Å; M64-W141 HydrophobicContact CG-CZ3 4.12Å
65V93.3Very high87.8Confident1 Ų148.8 Ų48.81%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-112115.9-178.7-175.70000109.9T33 L35 L49 L63 I67 V90 G92 L93 R94T33-V65 HydrophobicContact CG2-CB 4.25Å; T33-V65 HydrophobicContact CG2-CG1 4.12Å; T33-V65 HydrophobicContact CG2-CG2 3.87Å; L35-V65 HydrophobicContact CD1-CG1 3.57Å; L35-V65 HydrophobicContact CG-CG1 4.39Å; L49-V65 HydrophobicContact CD1-CG1 4.49Å; L49-V65 HydrophobicContact CD1-CG2 3.86Å; L63-V65 HydrophobicContact CD1-CG2 4.4Å; L63-V65 HydrophobicContact CD2-CG2 4.5Å; L63-V65 HydrophobicContact CG-CG2 4.04Å; V65-I67 HydrophobicContact CG1-CB 4.16Å; V65-I67 HydrophobicContact CG1-CG2 4.31Å; V65-V90 HydrophobicContact CB-CG1 4.41Å; V65-V90 HydrophobicContact CG2-CB 4.39Å; V65-V90 HydrophobicContact CG2-CG1 3.8Å; V65-V90 HydrophobicContact CG2-CG2 3.75Å; V65-G92 PolarHBondContact N-O 3.07Å; V65-G92 VanDerWaalsContact N-O 3.08Å; V65-L93 HydrophobicContact CB-CD2 4.09Å; V65-L93 WeakPolarHBondContact O-CA 3.38Å; V65-R94 PolarHBondContact O-N 3.21Å
66D90.4Very high87Confident7 Ų749.8 Ų49.84%0.03726%0.255CS..EExtended strand (participates in β ladder)trans-83.8112.1169.9176.6-57.4000109.7F32 T33 S34 L35 H36 R94F32-D66 HydrophobicContact CE2-CB 3.65Å; F32-D66 HydrophobicContact CZ-CB 3.57Å; T33-D66 PolarHBondContact O-N 3.22Å; S34-D66 WeakPolarHBondContact CA-O 3.21Å; S34-D66 PolarHBondContact OG-OD1 2.97Å; L35-D66 PolarHBondContact N-O 3.45Å; H36-D66 IonicContact CE1-OD1 3.69Å; H36-D66 IonicContact ND1-OD1 3.94Å; H36-D66 PolarHBondContact ND1-OD1 2.98Å; H36-D66 VanDerWaalsContact ND1-OD1 3.14Å; D66-R94 HydrophobicContact CB-CB 4.04Å; D66-R94 HydrophobicContact CB-CG 4.45Å; D66-R94 WeakPolarHBondContact OD2-CD 3.28Å; D66-R94 IonicContact OD2-CZ 3.01Å; D66-R94 IonicContact OD2-NE 3.69Å; D66-R94 IonicContact OD2-NH1 2.7Å; D66-R94 PolarHBondContact OD2-NH1 2.9Å
67I80.1Confident86.3Confident1 Ų150.2 Ų50.21%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-152.1137-173.9-160.7173.5000111.4L35 V65 A71 L72 L93 R94L35-I67 HydrophobicContact CB-CB 4.46Å; L35-I67 HydrophobicContact CB-CD1 4.24Å; L35-I67 HydrophobicContact CB-CG1 4.03Å; L35-I67 HydrophobicContact CD1-CB 4.43Å; L35-I67 HydrophobicContact CD1-CD1 3.54Å; L35-I67 HydrophobicContact CD1-CG1 4.13Å; V65-I67 HydrophobicContact CG1-CB 4.16Å; V65-I67 HydrophobicContact CG1-CG2 4.31Å; I67-A71 HydrophobicContact CD1-CB 4.26Å; I67-A71 HydrophobicContact CG1-CB 3.65Å; I67-L72 VanDerWaalsContact CD1-CA 3.42Å; I67-L72 HydrophobicContact CD1-CB 3.77Å; I67-L72 HydrophobicContact CD1-CD1 3.68Å; I67-L72 HydrophobicContact CD1-CG 4.35Å; I67-L72 HydrophobicContact CG1-CB 4.27Å; I67-L72 HydrophobicContact CG2-CB 4.5Å; I67-L72 HydrophobicContact CG2-CD1 4.26Å; I67-L93 HydrophobicContact CG2-CD2 4.27Å; I67-R94 PolarHBondContact N-O 2.84Å
68S77Confident85.7Confident21 Ų2146.5 Ų46.515%0.14724%0.244CC..  trans-79.3155.8167.7510000111.2H36 E70 A71 L72H36-S68 PolarHBondContact CE1-N 3.35Å; H36-S68 WeakPolarHBondContact NE2-CB 3.28Å; H36-S68 PolarHBondContact NE2-OG 2.82Å; H36-S68 VanDerWaalsContact NE2-OG 3.08Å; S68-E70 VanDerWaalsContact C-N 3.29Å; S68-E70 PolarHBondContact O-N 2.99Å; S68-A71 PolarHBondContact O-N 3.21Å; S68-A71 WeakPolarHBondContact OG-CB 3.46Å; S68-L72 PolarHBondContact O-N 3.24Å
69G75.8Confident84.9Confident19 Ų1943.8 Ų43.820%0.19622%0.224CC..Hα-helixtrans-58-39.8179.300000113.9A71 L72 D73G69-A71 VanDerWaalsContact C-N 3.33Å; G69-A71 PolarHBondContact O-N 2.88Å; G69-L72 PolarHBondContact O-N 3.05Å; G69-D73 PolarHBondContact O-N 3.4Å
70E77.1Confident84.1Confident148 Ų14848.6 Ų48.669%0.69225%0.247SC*.Hα-helixtrans-65.9-34.5175.4-63.3-175.1172.300112.8S68 R74S68-E70 VanDerWaalsContact C-N 3.29Å; S68-E70 PolarHBondContact O-N 2.99Å; E70-R74 WeakPolarHBondContact O-CB 3.16Å; E70-R74 VanDerWaalsContact O-CG 3.24Å; E70-R74 WeakPolarHBondContact O-CG 3.47Å; E70-R74 PolarHBondContact O-N 3.22Å; E70-R74 VanDerWaalsContact O-N 3.1Å; E70-R74 PolarHBondContact O-NE 3.3Å
71A75.1Confident83.5Confident9 Ų945.4 Ų45.47%0.07423%0.232CC..Hα-helixtrans-71.8-35.9175.400000111.4I67 S68 G69 R74 A75I67-A71 HydrophobicContact CD1-CB 4.26Å; I67-A71 HydrophobicContact CG1-CB 3.65Å; S68-A71 PolarHBondContact O-N 3.21Å; S68-A71 WeakPolarHBondContact OG-CB 3.46Å; G69-A71 VanDerWaalsContact C-N 3.33Å; G69-A71 PolarHBondContact O-N 2.88Å; A71-R74 PolarHBondContact O-N 2.83Å; A71-A75 WeakPolarHBondContact O-CB 3.2Å; A71-A75 PolarHBondContact O-N 3.42Å
72L78.8Confident82.9Confident1 Ų145 Ų451%0.00523%0.229CC..Hα-helixtrans-63.6-48.4175.5-169.771000111.6I67 S68 G69 R74 A75 G76 F77 F79 L85I67-L72 VanDerWaalsContact CD1-CA 3.42Å; I67-L72 HydrophobicContact CD1-CB 3.77Å; I67-L72 HydrophobicContact CD1-CD1 3.68Å; I67-L72 HydrophobicContact CD1-CG 4.35Å; I67-L72 HydrophobicContact CG1-CB 4.27Å; I67-L72 HydrophobicContact CG2-CB 4.5Å; I67-L72 HydrophobicContact CG2-CD1 4.26Å; S68-L72 PolarHBondContact O-N 3.24Å; G69-L72 PolarHBondContact O-N 3.05Å; L72-R74 VanDerWaalsContact C-N 3.33Å; L72-R74 PolarHBondContact O-N 2.87Å; L72-A75 PolarHBondContact O-N 3.44Å; L72-A75 VanDerWaalsContact O-N 3.17Å; L72-G76 PolarHBondContact O-N 3.34Å; L72-F77 CarbonylContact C-O 3.47Å; L72-F77 HydrophobicContact CD1-CB 3.54Å; L72-F77 HydrophobicContact CD1-CD2 4.45Å; L72-F77 HydrophobicContact CD1-CG 4.36Å; L72-F77 HydrophobicContact CG-CB 3.81Å; L72-F77 PolarHBondContact O-N 3.41Å; L72-F77 VanDerWaalsContact O-O 3.1Å; L72-F79 HydrophobicContact CD2-CD1 3.46Å; L72-F79 VanDerWaalsContact CD2-CD1 3.46Å; L72-F79 HydrophobicContact CD2-CD2 3.96Å; L72-F79 HydrophobicContact CD2-CE1 3.47Å; L72-F79 VanDerWaalsContact CD2-CE1 3.47Å; L72-F79 HydrophobicContact CD2-CE2 3.98Å; L72-F79 HydrophobicContact CD2-CG 3.71Å; L72-F79 HydrophobicContact CD2-CZ 3.73Å; L72-L85 HydrophobicContact CD1-CD1 4.13Å; L72-L85 HydrophobicContact CD1-CD2 4.19Å
73D80.1Confident82.5Confident99 Ų9950.4 Ų50.453%0.52925%0.246SC..Hα-helixtrans-62.6-40.9177.4-73.5-21.6000111.1G69 A75 G76 F77G69-D73 PolarHBondContact O-N 3.4Å; D73-A75 VanDerWaalsContact C-N 3.32Å; D73-A75 PolarHBondContact O-N 3.33Å; D73-G76 PolarHBondContact O-N 3.04Å; D73-F77 WeakPolarHBondContact CA-O 3.3Å
74R77.3Confident82.1Confident140 Ų14053.8 Ų53.853%0.52826%0.262SS..Hα-helixtrans-65.3-32175.2-78.4-173.9-69.4163.2-4.5113.4A42 E70 A71 L72 G76A42-R74 HydrophobicContact CB-CB 4.33Å; E70-R74 WeakPolarHBondContact O-CB 3.16Å; E70-R74 VanDerWaalsContact O-CG 3.24Å; E70-R74 WeakPolarHBondContact O-CG 3.47Å; E70-R74 PolarHBondContact O-N 3.22Å; E70-R74 VanDerWaalsContact O-N 3.1Å; E70-R74 PolarHBondContact O-NE 3.3Å; A71-R74 PolarHBondContact O-N 2.83Å; L72-R74 VanDerWaalsContact C-N 3.33Å; L72-R74 PolarHBondContact O-N 2.87Å; R74-G76 PolarHBondContact O-N 3.43Å
75A74.5Confident81.8Confident5 Ų553.6 Ų53.64%0.04126%0.261CS..THydrogen-bonded Turntrans-75.9-2.2173.200000112.8R46 A71 L72 D73 F77R46-A75 VanDerWaalsContact CB-O 3.32Å; R46-A75 WeakPolarHBondContact CB-O 3.48Å; A71-A75 WeakPolarHBondContact O-CB 3.2Å; A71-A75 PolarHBondContact O-N 3.42Å; L72-A75 PolarHBondContact O-N 3.44Å; L72-A75 VanDerWaalsContact O-N 3.17Å; D73-A75 VanDerWaalsContact C-N 3.32Å; D73-A75 PolarHBondContact O-N 3.33Å; A75-F77 HydrophobicContact CB-CD2 4.06Å
76G78.5Confident81.7Confident45 Ų4557.2 Ų57.246%0.46428%0.277SS..THydrogen-bonded Turntrans78.722.717900000114L72 D73 R74L72-G76 PolarHBondContact O-N 3.34Å; D73-G76 PolarHBondContact O-N 3.04Å; R74-G76 PolarHBondContact O-N 3.43Å
77F82Confident81.8Confident9 Ų963.7 Ų63.74%0.03931%0.307CS..  trans-112.5168.8170.7-63.8-71.3000109.8R46 L49 L72 D73 A75 E84 L85 I88R46-F77 HydrophobicContact CB-CE2 4.4Å; R46-F77 HydrophobicContact CG-CE2 3.84Å; R46-F77 HydrophobicContact CG-CZ 3.69Å; L49-F77 HydrophobicContact CD2-CD2 4.43Å; L49-F77 HydrophobicContact CD2-CE2 3.97Å; L72-F77 CarbonylContact C-O 3.47Å; L72-F77 HydrophobicContact CD1-CB 3.54Å; L72-F77 HydrophobicContact CD1-CD2 4.45Å; L72-F77 HydrophobicContact CD1-CG 4.36Å; L72-F77 HydrophobicContact CG-CB 3.81Å; L72-F77 PolarHBondContact O-N 3.41Å; L72-F77 VanDerWaalsContact O-O 3.1Å; D73-F77 WeakPolarHBondContact CA-O 3.3Å; A75-F77 HydrophobicContact CB-CD2 4.06Å; F77-E84 HydrophobicContact CD1-CB 4.24Å; F77-E84 HydrophobicContact CE1-CB 4.46Å; F77-L85 HydrophobicContact CB-CD2 4.05Å; F77-L85 HydrophobicContact CD1-CD2 3.79Å; F77-L85 HydrophobicContact CD1-CG 4.33Å; F77-L85 HydrophobicContact CD2-CD2 4.03Å; F77-L85 HydrophobicContact CE1-CD2 4.22Å; F77-L85 HydrophobicContact CE2-CD2 4.43Å; F77-L85 HydrophobicContact CG-CD2 3.69Å; F77-L85 HydrophobicContact CG-CG 4.45Å; F77-I88 HydrophobicContact CE1-CD1 3.99Å; F77-I88 HydrophobicContact CE2-CD1 4.22Å; F77-I88 HydrophobicContact CZ-CD1 3.56Å
78S82.3Confident82.3Confident29 Ų2964.9 Ų64.920%0.20331%0.313CS..  trans-146.1144.1176-173.50000111K80 H81S78-K80 PolarHBondContact O-N 3.03Å; S78-K80 VanDerWaalsContact O-N 3.13Å; S78-K80 PolarHBondContact OG-N 2.72Å; S78-H81 CarbonylContact O-C 3.53Å; S78-H81 PolarHBondContact O-N 3.24Å
79F79.4Confident83.1Confident38 Ų3864 Ų6417%0.16731%0.308CS..G310 helixtrans-60.4-20.2171.1-64.4-61.2000112.9L72 H81 L93 M95 I99 L107L72-F79 HydrophobicContact CD2-CD1 3.46Å; L72-F79 VanDerWaalsContact CD2-CD1 3.46Å; L72-F79 HydrophobicContact CD2-CD2 3.96Å; L72-F79 HydrophobicContact CD2-CE1 3.47Å; L72-F79 VanDerWaalsContact CD2-CE1 3.47Å; L72-F79 HydrophobicContact CD2-CE2 3.98Å; L72-F79 HydrophobicContact CD2-CG 3.71Å; L72-F79 HydrophobicContact CD2-CZ 3.73Å; F79-H81 PolarHBondContact O-N 3.05Å; F79-L93 HydrophobicContact CD1-CD1 4.09Å; F79-L93 HydrophobicContact CE1-CD1 3.92Å; F79-M95 HydrophobicContact CD1-CE 4.15Å; F79-M95 HydrophobicContact CE1-CE 3.64Å; F79-M95 HydrophobicContact CE1-SD 3.63Å; F79-M95 HydrophobicContact CZ-CE 3.9Å; F79-M95 HydrophobicContact CZ-SD 3.91Å; F79-I99 HydrophobicContact CD2-CD1 4.3Å; F79-I99 HydrophobicContact CE1-CD1 4.26Å; F79-I99 HydrophobicContact CE2-CD1 3.42Å; F79-I99 VanDerWaalsContact CE2-CD1 3.42Å; F79-I99 HydrophobicContact CZ-CD1 3.42Å; F79-I99 VanDerWaalsContact CZ-CD1 3.42Å; F79-L107 HydrophobicContact CB-CD2 4.24Å; F79-L107 HydrophobicContact CD1-CD1 4.19Å
80K79.6Confident84Confident179 Ų17963.3 Ų63.378%0.77830%0.3SS*.G310 helixtrans-73.9-14174.4-63.5-178.6-179.6176.10113.3S78S78-K80 PolarHBondContact O-N 3.03Å; S78-K80 VanDerWaalsContact O-N 3.13Å; S78-K80 PolarHBondContact OG-N 2.72Å
81H83.7Confident84.9Confident111 Ų11159 Ų5951%0.51428%0.284SS..G310 helixtrans-132.549.7-173.1-59.8-45.6000111.4S78 F79 R83 E84S78-H81 CarbonylContact O-C 3.53Å; S78-H81 PolarHBondContact O-N 3.24Å; F79-H81 PolarHBondContact O-N 3.05Å; H81-R83 PolarHBondContact O-N 3.39Å; H81-E84 HydrophobicContact CB-CG 4.39Å; H81-E84 PolarHBondContact O-N 3.15Å
82L85Confident85.8Confident1 Ų158.6 Ų58.61%0.00528%0.28CS..Hα-helixtrans-54.1-23.2179.4-70.3-174.2000114.7E84 L85 K86 L93 L107 E110 M111L82-E84 PolarHBondContact O-N 3.19Å; L82-L85 HydrophobicContact CD2-CD1 3.97Å; L82-L85 PolarHBondContact O-N 2.62Å; L82-L85 VanDerWaalsContact O-N 3.15Å; L82-K86 PolarHBondContact O-N 3.11Å; L82-K86 VanDerWaalsContact O-N 3.11Å; L82-L93 HydrophobicContact CD2-CD1 3.79Å; L82-L107 HydrophobicContact CD1-CB 4.36Å; L82-L107 HydrophobicContact CD1-CD2 3.45Å; L82-L107 VanDerWaalsContact CD1-CD2 3.45Å; L82-L107 HydrophobicContact CD1-CG 4.49Å; L82-L107 HydrophobicContact CD2-CD2 4.06Å; L82-L107 HydrophobicContact CG-CD2 3.86Å; L82-E110 HydrophobicContact CD1-CB 3.72Å; L82-E110 HydrophobicContact CD1-CG 4.41Å; L82-M111 HydrophobicContact CB-CE 4.31Å; L82-M111 HydrophobicContact CD1-CG 4Å; L82-M111 HydrophobicContact CD1-SD 4.13Å; L82-M111 HydrophobicContact CD2-CE 4.28Å; L82-M111 HydrophobicContact CD2-SD 3.92Å
83R87.7Confident86.5Confident189 Ų18958.6 Ų58.671%0.71328%0.28SS*.Hα-helixtrans-55.9-38.6174.3-68.4-174.4-176.3178.10.9112.3H81 L85 K86 E87H81-R83 PolarHBondContact O-N 3.39Å; R83-L85 VanDerWaalsContact C-N 3.31Å; R83-L85 PolarHBondContact O-N 3.07Å; R83-K86 PolarHBondContact O-N 3.44Å; R83-E87 WeakPolarHBondContact O-CB 3.12Å; R83-E87 VanDerWaalsContact O-CG 3.31Å; R83-E87 WeakPolarHBondContact O-CG 3.33Å; R83-E87 PolarHBondContact O-N 3.11Å
84E89.2Confident87.1Confident71 Ų7154.4 Ų54.433%0.33226%0.257SS..Hα-helixtrans-63.7-38.3179-63.1-175.7-166.300111.6F77 H81 L82 E87 I88F77-E84 HydrophobicContact CD1-CB 4.24Å; F77-E84 HydrophobicContact CE1-CB 4.46Å; H81-E84 HydrophobicContact CB-CG 4.39Å; H81-E84 PolarHBondContact O-N 3.15Å; L82-E84 PolarHBondContact O-N 3.19Å; E84-E87 PolarHBondContact O-N 3.33Å; E84-I88 PolarHBondContact O-N 3.38Å; E84-I88 VanDerWaalsContact O-N 3.16Å
85L90.1Very high87.4Confident2 Ų248.3 Ų48.31%0.0124%0.235CC..Hα-helixtrans-67.7-41.9176.9-68.3171.4000111.6L49 L72 F77 L82 R83 E87 I88 G89 V90 L93 M111L49-L85 HydrophobicContact CD2-CD2 4.41Å; L72-L85 HydrophobicContact CD1-CD1 4.13Å; L72-L85 HydrophobicContact CD1-CD2 4.19Å; F77-L85 HydrophobicContact CB-CD2 4.05Å; F77-L85 HydrophobicContact CD1-CD2 3.79Å; F77-L85 HydrophobicContact CD1-CG 4.33Å; F77-L85 HydrophobicContact CD2-CD2 4.03Å; F77-L85 HydrophobicContact CE1-CD2 4.22Å; F77-L85 HydrophobicContact CE2-CD2 4.43Å; F77-L85 HydrophobicContact CG-CD2 3.69Å; F77-L85 HydrophobicContact CG-CG 4.45Å; L82-L85 HydrophobicContact CD2-CD1 3.97Å; L82-L85 PolarHBondContact O-N 2.62Å; L82-L85 VanDerWaalsContact O-N 3.15Å; R83-L85 VanDerWaalsContact C-N 3.31Å; R83-L85 PolarHBondContact O-N 3.07Å; L85-E87 VanDerWaalsContact C-N 3.32Å; L85-E87 PolarHBondContact O-N 3.27Å; L85-I88 HydrophobicContact CD2-CD1 4.27Å; L85-I88 WeakPolarHBondContact O-CG1 3.44Å; L85-I88 PolarHBondContact O-N 3Å; L85-G89 PolarHBondContact O-N 3.49Å; L85-G89 VanDerWaalsContact O-N 3.09Å; L85-V90 HydrophobicContact CB-CB 4.07Å; L85-V90 HydrophobicContact CB-CG1 4.5Å; L85-V90 HydrophobicContact CB-CG2 4.4Å; L85-V90 HydrophobicContact CD2-CG2 4.29Å; L85-V90 WeakPolarHBondContact O-CB 2.96Å; L85-V90 PolarHBondContact O-N 3.13Å; L85-L93 HydrophobicContact CD1-CD1 3.95Å; L85-L93 HydrophobicContact CD1-CD2 4.24Å; L85-M111 HydrophobicContact CB-CE 4.46Å
86K91.5Very high87.3Confident77 Ų7750.1 Ų50.134%0.33524%0.244SC..Hα-helixtrans-65.1-36.6174.1-67.3175177.2170.60112.2K57 L82 R83 I88 G89 E110 M111K57-K86 WeakPolarHBondContact CE-O 3.34Å; K57-K86 PolarHBondContact NZ-O 3.1Å; L82-K86 PolarHBondContact O-N 3.11Å; L82-K86 VanDerWaalsContact O-N 3.11Å; R83-K86 PolarHBondContact O-N 3.44Å; K86-I88 VanDerWaalsContact C-N 3.32Å; K86-I88 PolarHBondContact O-N 2.76Å; K86-G89 PolarHBondContact O-N 3.18Å; K86-E110 WeakPolarHBondContact CE-O 3.07Å; K86-E110 PolarHBondContact NZ-O 3.02Å; K86-E110 IonicContact NZ-OE2 2.74Å; K86-M111 HydrophobicContact CD-CE 4.4Å; K86-M111 HydrophobicContact CG-CE 3.72Å
87E92.2Very high86.5Confident144 Ų14454.9 Ų54.967%0.67325%0.249SC*.Hα-helixtrans-64.6-34.7177.8-80.7176.5-169.400112.4K57 R83 E84 L85K57-E87 VanDerWaalsContact NZ-C 3.3Å; K57-E87 PolarHBondContact NZ-O 3.47Å; R83-E87 WeakPolarHBondContact O-CB 3.12Å; R83-E87 VanDerWaalsContact O-CG 3.31Å; R83-E87 WeakPolarHBondContact O-CG 3.33Å; R83-E87 PolarHBondContact O-N 3.11Å; E84-E87 PolarHBondContact O-N 3.33Å; L85-E87 VanDerWaalsContact C-N 3.32Å; L85-E87 PolarHBondContact O-N 3.27Å
88I91.3Very high86.2Confident25 Ų2563.7 Ų63.713%0.12829%0.29CS..Hα-helixtrans-81.4-22.1173.466.3173.1000113.2L49 T50 G53 S54 F77 E84 L85 K86 V90L49-I88 HydrophobicContact CD2-CD1 3.92Å; L49-I88 HydrophobicContact CG-CD1 3.8Å; T50-I88 HydrophobicContact CG2-CB 4.47Å; T50-I88 HydrophobicContact CG2-CG2 4.03Å; G53-I88 CarbonylContact C-O 3.56Å; G53-I88 WeakPolarHBondContact CA-O 3.45Å; S54-I88 PolarHBondContact N-O 3.27Å; F77-I88 HydrophobicContact CE1-CD1 3.99Å; F77-I88 HydrophobicContact CE2-CD1 4.22Å; F77-I88 HydrophobicContact CZ-CD1 3.56Å; E84-I88 PolarHBondContact O-N 3.38Å; E84-I88 VanDerWaalsContact O-N 3.16Å; L85-I88 HydrophobicContact CD2-CD1 4.27Å; L85-I88 WeakPolarHBondContact O-CG1 3.44Å; L85-I88 PolarHBondContact O-N 3Å; K86-I88 VanDerWaalsContact C-N 3.32Å; K86-I88 PolarHBondContact O-N 2.76Å; I88-V90 HydrophobicContact CD1-CG2 4.1Å; I88-V90 HydrophobicContact CG1-CG2 4.11Å
89G94Very high86.1Confident4 Ų463.8 Ų63.84%0.04129%0.287CS..THydrogen-bonded Turntrans118.99.9174.300000116.5L85 K86 T91L85-G89 PolarHBondContact O-N 3.49Å; L85-G89 VanDerWaalsContact O-N 3.09Å; K86-G89 PolarHBondContact O-N 3.18Å; G89-T91 PolarHBondContact O-N 3Å
90V94.4Very high86.6Confident3 Ų364.6 Ų64.62%0.01830%0.298CS..  trans-68126.1168.71790000108.8L49 L63 V65 L85 I88 G92 L93L49-V90 HydrophobicContact CD1-CG2 4.32Å; L49-V90 HydrophobicContact CD2-CG2 4.35Å; L49-V90 HydrophobicContact CG-CG2 4.43Å; L63-V90 HydrophobicContact CD2-CG2 4.14Å; V65-V90 HydrophobicContact CB-CG1 4.41Å; V65-V90 HydrophobicContact CG2-CB 4.39Å; V65-V90 HydrophobicContact CG2-CG1 3.8Å; V65-V90 HydrophobicContact CG2-CG2 3.75Å; L85-V90 HydrophobicContact CB-CB 4.07Å; L85-V90 HydrophobicContact CB-CG1 4.5Å; L85-V90 HydrophobicContact CB-CG2 4.4Å; L85-V90 HydrophobicContact CD2-CG2 4.29Å; L85-V90 WeakPolarHBondContact O-CB 2.96Å; L85-V90 PolarHBondContact O-N 3.13Å; I88-V90 HydrophobicContact CD1-CG2 4.1Å; I88-V90 HydrophobicContact CG1-CG2 4.11Å; V90-G92 VanDerWaalsContact CG1-O 3.28Å; V90-G92 WeakPolarHBondContact CG1-O 3.39Å; V90-L93 HydrophobicContact CG1-CD2 3.94Å
91T95.4Very high87.2Confident59 Ų5957.1 Ų57.136%0.36227%0.266SS..  trans-101.7-22.2178.960.30000112.3L63 G89L63-T91 PolarHBondContact N-OG1 3.06Å; L63-T91 PolarHBondContact O-N 3.4Å; L63-T91 PolarHBondContact O-OG1 2.85Å; G89-T91 PolarHBondContact O-N 3Å
92G95Very high87.6Confident0 Ų056.4 Ų56.40%026%0.263CS..EExtended strand (participates in β ladder)trans-157.2163.817500000114.1L63 V65 V90 T112L63-G92 PolarHBondContact O-N 3.31Å; V65-G92 PolarHBondContact N-O 3.07Å; V65-G92 VanDerWaalsContact N-O 3.08Å; V90-G92 VanDerWaalsContact CG1-O 3.28Å; V90-G92 WeakPolarHBondContact CG1-O 3.39Å; G92-T112 CarbonylContact C-O 3.47Å; G92-T112 WeakPolarHBondContact CA-O 3.44Å
93L93.4Very high87.8Confident1 Ų160.5 Ų60.51%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-122.1131.6179.2-63.8173.2000110.3V65 I67 F79 L82 L85 V90 M95 M111 T112 I113 A114V65-L93 HydrophobicContact CB-CD2 4.09Å; V65-L93 WeakPolarHBondContact O-CA 3.38Å; I67-L93 HydrophobicContact CG2-CD2 4.27Å; F79-L93 HydrophobicContact CD1-CD1 4.09Å; F79-L93 HydrophobicContact CE1-CD1 3.92Å; L82-L93 HydrophobicContact CD2-CD1 3.79Å; L85-L93 HydrophobicContact CD1-CD1 3.95Å; L85-L93 HydrophobicContact CD1-CD2 4.24Å; V90-L93 HydrophobicContact CG1-CD2 3.94Å; L93-M95 HydrophobicContact CB-SD 4.05Å; L93-M111 HydrophobicContact CB-SD 4.43Å; L93-M111 HydrophobicContact CD1-SD 3.56Å; L93-M111 VanDerWaalsContact CD1-SD 3.56Å; L93-M111 HydrophobicContact CG-SD 3.61Å; L93-T112 PolarHBondContact N-O 2.76Å; L93-I113 HydrophobicContact CB-CD1 4.1Å; L93-I113 WeakPolarHBondContact O-CA 3.43Å; L93-A114 PolarHBondContact O-N 2.9Å
94R92.7Very high88Confident11 Ų1152 Ų524%0.04225%0.251CS..EExtended strand (participates in β ladder)trans-95.6114.9169.5-177.1176.4-170.6-94.9-1.3108.5M64 V65 D66 I67 A114 W141 N143M64-R94 HydrophobicContact CG-CB 4.28Å; M64-R94 HydrophobicContact SD-CB 4.05Å; M64-R94 PolarHBondContact SD-N 3.44Å; M64-R94 VanDerWaalsContact SD-N 3.44Å; V65-R94 PolarHBondContact O-N 3.21Å; D66-R94 HydrophobicContact CB-CB 4.04Å; D66-R94 HydrophobicContact CB-CG 4.45Å; D66-R94 WeakPolarHBondContact OD2-CD 3.28Å; D66-R94 IonicContact OD2-CZ 3.01Å; D66-R94 IonicContact OD2-NE 3.69Å; D66-R94 IonicContact OD2-NH1 2.7Å; D66-R94 PolarHBondContact OD2-NH1 2.9Å; I67-R94 PolarHBondContact N-O 2.84Å; R94-A114 WeakPolarHBondContact CA-O 3.45Å; R94-A114 HydrophobicContact CB-CB 3.88Å; R94-A114 HydrophobicContact CG-CB 4.02Å; R94-W141 PolarHBondContact NH2-O 2.9Å; R94-N143 PolarHBondContact NH2-OD1 3.44Å
95M82.6Confident88.3Confident11 Ų1148.7 Ų48.75%0.05424%0.236CC..EExtended strand (participates in β ladder)trans-92.5125.1-168.3-59.6-66.8-98.900109.7F79 L93 I99 L107 I113 A114F79-M95 HydrophobicContact CD1-CE 4.15Å; F79-M95 HydrophobicContact CE1-CE 3.64Å; F79-M95 HydrophobicContact CE1-SD 3.63Å; F79-M95 HydrophobicContact CZ-CE 3.9Å; F79-M95 HydrophobicContact CZ-SD 3.91Å; L93-M95 HydrophobicContact CB-SD 4.05Å; M95-I99 HydrophobicContact CE-CB 4.24Å; M95-I99 HydrophobicContact CE-CD1 3.13Å; M95-I99 HydrophobicContact CE-CG1 4.21Å; M95-I99 HydrophobicContact CE-CG2 3.82Å; M95-I99 HydrophobicContact SD-CD1 3.8Å; M95-L107 HydrophobicContact CE-CD1 3.29Å; M95-I113 HydrophobicContact CB-CG2 4.49Å; M95-I113 HydrophobicContact CG-CG2 3.56Å; M95-A114 PolarHBondContact N-O 3.47Å
96D73.7Confident88.4Confident44 Ų4453.8 Ų53.824%0.23526%0.26CS..  trans-86.8177.9174.3-113.5-12000111.8H36H36-D96 IonicContact CE1-OD2 3.34Å; H36-D96 PolarHBondContact CE1-OD2 2.96Å; H36-D96 IonicContact ND1-OD2 2.82Å; H36-D96 IonicContact NE2-OD2 3.52Å; H36-D96 PolarHBondContact NE2-OD2 3.28Å
97Y62.1Low88.4Confident144 Ų14450.9 Ų50.957%0.56525%0.248SC*.THydrogen-bonded Turntrans-50.3146.2175.7-63.5-82.4000111.4T119Y97-T119 WeakPolarHBondContact OH-CG2 3.31Å
98H74.6Confident88.5Confident195 Ų19544 Ų4490%0.90322%0.216SC*.THydrogen-bonded Turntrans97.96.7176.8-48.2-63.5000118.6
99I80.5Confident88.7Confident30 Ų3048 Ų4815%0.15423%0.234CC..  trans-108.9133173.1-57.2178.4000109.2F79 M95 Q103 I104F79-I99 HydrophobicContact CD2-CD1 4.3Å; F79-I99 HydrophobicContact CE1-CD1 4.26Å; F79-I99 HydrophobicContact CE2-CD1 3.42Å; F79-I99 VanDerWaalsContact CE2-CD1 3.42Å; F79-I99 HydrophobicContact CZ-CD1 3.42Å; F79-I99 VanDerWaalsContact CZ-CD1 3.42Å; M95-I99 HydrophobicContact CE-CB 4.24Å; M95-I99 HydrophobicContact CE-CD1 3.13Å; M95-I99 HydrophobicContact CE-CG1 4.21Å; M95-I99 HydrophobicContact CE-CG2 3.82Å; M95-I99 HydrophobicContact SD-CD1 3.8Å; I99-Q103 HydrophobicContact CG2-CB 3.56Å; I99-Q103 HydrophobicContact CG2-CG 4.45Å; I99-I104 HydrophobicContact CG2-CG1 4.15Å
100S89.2Confident88.6Confident56 Ų5652.3 Ų52.339%0.39225%0.253SS..  trans-75153.8-176.471.70000111.9Q102 Q103 I104S100-Q102 PolarHBondContact O-N 3.5Å; S100-Q103 VanDerWaalsContact N-OE1 3.15Å; S100-Q103 WeakPolarHBondContact O-CB 3.38Å; S100-Q103 PolarHBondContact O-N 3.38Å; S100-Q103 WeakPolarHBondContact OG-CG 3.05Å; S100-Q103 PolarHBondContact OG-N 3.42Å; S100-Q103 PolarHBondContact OG-OE1 3.2Å; S100-I104 PolarHBondContact O-N 2.95Å
101N92Very high88.5Confident21 Ų2152.6 Ų52.611%0.11225%0.254CS..Hα-helixtrans-58.7-31174.7-71.7-33.9000112.2I104 A105 D124 E127 L128N101-I104 PolarHBondContact O-N 2.81Å; N101-A105 WeakPolarHBondContact O-CB 2.85Å; N101-A105 PolarHBondContact O-N 2.89Å; N101-D124 WeakPolarHBondContact ND2-CA 3.47Å; N101-D124 PolarHBondContact ND2-OD1 2.97Å; N101-E127 HydrophobicContact CB-CB 3.87Å; N101-E127 PolarHBondContact ND2-OE2 3.1Å; N101-L128 HydrophobicContact CB-CD2 4.1Å; N101-L128 HydrophobicContact CB-CG 4.16Å; N101-L128 WeakPolarHBondContact O-CD2 3.32Å
102Q92.1Very high88.5Confident97 Ų9751.3 Ų51.345%0.45325%0.246SC..Hα-helixtrans-61.6-45.6171.1-178.362.438.600112.4S100 A105 E106S100-Q102 PolarHBondContact O-N 3.5Å; Q102-A105 PolarHBondContact O-N 3Å; Q102-E106 PolarHBondContact NE2-OE1 3.45Å; Q102-E106 WeakPolarHBondContact O-CG 3.49Å; Q102-E106 PolarHBondContact O-N 3.37Å; Q102-E106 VanDerWaalsContact O-N 3.09Å
103Q90.4Very high88.5Confident87 Ų8751.3 Ų51.341%0.40725%0.246SC..Hα-helixtrans-67.7-40.6177.5-71.6173.9-63.900111.2I99 S100 A105 E106 L107I99-Q103 HydrophobicContact CG2-CB 3.56Å; I99-Q103 HydrophobicContact CG2-CG 4.45Å; S100-Q103 VanDerWaalsContact N-OE1 3.15Å; S100-Q103 WeakPolarHBondContact O-CB 3.38Å; S100-Q103 PolarHBondContact O-N 3.38Å; S100-Q103 WeakPolarHBondContact OG-CG 3.05Å; S100-Q103 PolarHBondContact OG-N 3.42Å; S100-Q103 PolarHBondContact OG-OE1 3.2Å; Q103-A105 VanDerWaalsContact C-N 3.3Å; Q103-A105 PolarHBondContact O-N 3.03Å; Q103-E106 PolarHBondContact O-N 3.12Å; Q103-L107 WeakPolarHBondContact O-CG 3.36Å; Q103-L107 PolarHBondContact O-N 3.08Å
104I92.4Very high88.6Confident9 Ų951.3 Ų51.35%0.04625%0.246CC..Hα-helixtrans-58.1-45174.8-70.4160.9000110.5I99 S100 N101 E106 L107 S108 I113 L115 L128 L138I99-I104 HydrophobicContact CG2-CG1 4.15Å; S100-I104 PolarHBondContact O-N 2.95Å; N101-I104 PolarHBondContact O-N 2.81Å; I104-E106 VanDerWaalsContact C-N 3.34Å; I104-E106 PolarHBondContact O-N 3.37Å; I104-L107 PolarHBondContact O-N 3.42Å; I104-S108 PolarHBondContact O-N 3.49Å; I104-I113 HydrophobicContact CG2-CG2 4.01Å; I104-L115 HydrophobicContact CD1-CD2 3.75Å; I104-L115 HydrophobicContact CG1-CD2 4.29Å; I104-L115 HydrophobicContact CG2-CD2 3.93Å; I104-L128 HydrophobicContact CB-CD2 3.84Å; I104-L128 HydrophobicContact CG2-CD2 3.44Å; I104-L128 VanDerWaalsContact CG2-CD2 3.44Å; I104-L138 HydrophobicContact CG2-CD2 4.04Å
105A94Very high88.7Confident2 Ų251.4 Ų51.42%0.01725%0.247CC..Hα-helixtrans-61.7-38.9177.800000113N101 Q102 Q103 S108 L128 A131 A133N101-A105 WeakPolarHBondContact O-CB 2.85Å; N101-A105 PolarHBondContact O-N 2.89Å; Q102-A105 PolarHBondContact O-N 3Å; Q103-A105 VanDerWaalsContact C-N 3.3Å; Q103-A105 PolarHBondContact O-N 3.03Å; A105-S108 PolarHBondContact O-OG 3.16Å; A105-S108 VanDerWaalsContact O-OG 3.1Å; A105-L128 HydrophobicContact CB-CD2 4.47Å; A105-A131 HydrophobicContact CB-CB 3.43Å; A105-A131 VanDerWaalsContact CB-CB 3.43Å; A105-A133 HydrophobicContact CB-CB 3.62Å
106E93.1Very high89.3Confident110 Ų11051.7 Ų51.751%0.51425%0.249SC..Hα-helixtrans-67-42.9175-72.8167.7-16500111.8Q102 Q103 I104 Q109Q102-E106 PolarHBondContact NE2-OE1 3.45Å; Q102-E106 WeakPolarHBondContact O-CG 3.49Å; Q102-E106 PolarHBondContact O-N 3.37Å; Q102-E106 VanDerWaalsContact O-N 3.09Å; Q103-E106 PolarHBondContact O-N 3.12Å; I104-E106 VanDerWaalsContact C-N 3.34Å; I104-E106 PolarHBondContact O-N 3.37Å; E106-Q109 WeakPolarHBondContact O-CB 3.41Å; E106-Q109 PolarHBondContact O-N 3.39Å
107L92.3Very high90.3Very high16 Ų1649.6 Ų49.68%0.08424%0.238CC..Hα-helixtrans-71-32.2-178.8-62.7168000112.2F79 L82 M95 Q103 I104 Q109 E110 M111 I113F79-L107 HydrophobicContact CB-CD2 4.24Å; F79-L107 HydrophobicContact CD1-CD1 4.19Å; L82-L107 HydrophobicContact CD1-CB 4.36Å; L82-L107 HydrophobicContact CD1-CD2 3.45Å; L82-L107 VanDerWaalsContact CD1-CD2 3.45Å; L82-L107 HydrophobicContact CD1-CG 4.49Å; L82-L107 HydrophobicContact CD2-CD2 4.06Å; L82-L107 HydrophobicContact CG-CD2 3.86Å; M95-L107 HydrophobicContact CE-CD1 3.29Å; Q103-L107 WeakPolarHBondContact O-CG 3.36Å; Q103-L107 PolarHBondContact O-N 3.08Å; I104-L107 PolarHBondContact O-N 3.42Å; L107-Q109 PolarHBondContact O-N 2.93Å; L107-E110 PolarHBondContact O-N 2.85Å; L107-M111 PolarHBondContact O-N 3.02Å; L107-I113 HydrophobicContact CB-CD1 3.79Å; L107-I113 HydrophobicContact CB-CG1 3.95Å
108S94.1Very high91.7Very high0 Ų044 Ų440%022%0.22CC..Hα-helixtrans-67.6-20.4177.572.80000113.3I104 A105 E110 M111 D134 H137I104-S108 PolarHBondContact O-N 3.49Å; A105-S108 PolarHBondContact O-OG 3.16Å; A105-S108 VanDerWaalsContact O-OG 3.1Å; S108-E110 PolarHBondContact O-N 3.02Å; S108-M111 WeakPolarHBondContact CA-O 3.33Å; S108-D134 PolarHBondContact OG-N 3.07Å; S108-H137 VanDerWaalsContact O-CB 3.27Å; S108-H137 WeakPolarHBondContact O-CB 3.49Å; S108-H137 PolarHBondContact O-ND1 3.16Å
109Q94.1Very high92.5Very high109 Ų10937.7 Ų37.751%0.50920%0.195SC..THydrogen-bonded Turntrans-67.9-18.8169.6-60.4-61-35.800112.8E106 L107 N132E106-Q109 WeakPolarHBondContact O-CB 3.41Å; E106-Q109 PolarHBondContact O-N 3.39Å; L107-Q109 PolarHBondContact O-N 2.93Å; Q109-N132 PolarHBondContact NE2-O 2.81Å
110E92.3Very high93.1Very high94 Ų9436.7 Ų36.744%0.43919%0.19SC..THydrogen-bonded Turntrans-107.8-40.3-176.9-70.2-157.7-139.500113.2L82 K86 L107 S108L82-E110 HydrophobicContact CD1-CB 3.72Å; L82-E110 HydrophobicContact CD1-CG 4.41Å; K86-E110 WeakPolarHBondContact CE-O 3.07Å; K86-E110 PolarHBondContact NZ-O 3.02Å; K86-E110 IonicContact NZ-OE2 2.74Å; L107-E110 PolarHBondContact O-N 2.85Å; S108-E110 PolarHBondContact O-N 3.02Å
111M93.1Very high93.3Very high8 Ų837 Ų374%0.03919%0.19CC..SBendtrans-151.9169.3-176.861.6172.435.700111.9L82 L85 K86 L93 L107 S108 I113L82-M111 HydrophobicContact CB-CE 4.31Å; L82-M111 HydrophobicContact CD1-CG 4Å; L82-M111 HydrophobicContact CD1-SD 4.13Å; L82-M111 HydrophobicContact CD2-CE 4.28Å; L82-M111 HydrophobicContact CD2-SD 3.92Å; L85-M111 HydrophobicContact CB-CE 4.46Å; K86-M111 HydrophobicContact CD-CE 4.4Å; K86-M111 HydrophobicContact CG-CE 3.72Å; L93-M111 HydrophobicContact CB-SD 4.43Å; L93-M111 HydrophobicContact CD1-SD 3.56Å; L93-M111 VanDerWaalsContact CD1-SD 3.56Å; L93-M111 HydrophobicContact CG-SD 3.61Å; L107-M111 PolarHBondContact O-N 3.02Å; S108-M111 WeakPolarHBondContact CA-O 3.33Å; M111-I113 HydrophobicContact CG-CD1 4.01Å; M111-I113 PolarHBondContact O-N 2.82Å; M111-I113 HydrophobicContact SD-CD1 4.48Å
112T95.8Very high93.5Very high33 Ų3340.6 Ų40.620%0.20221%0.206CC..EExtended strand (participates in β ladder)trans-62.9126.7174.4-53.70000111.2M64 G92 L93 H137 E139M64-T112 HydrophobicContact CE-CG2 4.05Å; G92-T112 CarbonylContact C-O 3.47Å; G92-T112 WeakPolarHBondContact CA-O 3.44Å; L93-T112 PolarHBondContact N-O 2.76Å; T112-H137 CarbonylContact C-O 3.58Å; T112-H137 VanDerWaalsContact CA-O 3.3Å; T112-H137 WeakPolarHBondContact CA-O 3.47Å; T112-E139 VanDerWaalsContact CG2-CD 3.49Å; T112-E139 HydrophobicContact CG2-CG 3.56Å; T112-E139 WeakPolarHBondContact CG2-OE1 3.19Å
113I95.1Very high93.6Very high0 Ų041.1 Ų41.10%021%0.211CC..EExtended strand (participates in β ladder)trans-115.1119174.8-57.1-60000109.4L93 M95 I104 L107 M111 L115 H137 L138 E139L93-I113 HydrophobicContact CB-CD1 4.1Å; L93-I113 WeakPolarHBondContact O-CA 3.43Å; M95-I113 HydrophobicContact CB-CG2 4.49Å; M95-I113 HydrophobicContact CG-CG2 3.56Å; I104-I113 HydrophobicContact CG2-CG2 4.01Å; L107-I113 HydrophobicContact CB-CD1 3.79Å; L107-I113 HydrophobicContact CB-CG1 3.95Å; M111-I113 HydrophobicContact CG-CD1 4.01Å; M111-I113 PolarHBondContact O-N 2.82Å; M111-I113 HydrophobicContact SD-CD1 4.48Å; I113-L115 HydrophobicContact CG2-CD2 4.16Å; I113-H137 PolarHBondContact N-O 3.18Å; I113-L138 HydrophobicContact CB-CD2 3.99Å; I113-L138 WeakPolarHBondContact O-CA 3.34Å; I113-E139 PolarHBondContact O-N 2.86Å
114A95.6Very high93.8Very high0 Ų038.9 Ų38.90%020%0.202CC..EExtended strand (participates in β ladder)trans-92.2125.8174.800000110.4M64 L93 R94 M95 E139 W141M64-A114 HydrophobicContact CE-CB 3.77Å; M64-A114 HydrophobicContact SD-CB 3.81Å; L93-A114 PolarHBondContact O-N 2.9Å; R94-A114 WeakPolarHBondContact CA-O 3.45Å; R94-A114 HydrophobicContact CB-CB 3.88Å; R94-A114 HydrophobicContact CG-CB 4.02Å; M95-A114 PolarHBondContact N-O 3.47Å; A114-E139 CarbonylContact C-O 3.33Å; A114-E139 WeakPolarHBondContact CA-O 3.28Å; A114-E139 HydrophobicContact CB-CB 4.4Å; A114-W141 HydrophobicContact CB-CB 4.41Å; A114-W141 HydrophobicContact CB-CD2 4.29Å; A114-W141 HydrophobicContact CB-CG 3.77Å
115L94.5Very high93.8Very high13 Ų1338.5 Ų38.57%0.06820%0.199CC..EExtended strand (participates in β ladder)trans-101.3153.5175-56.5178.1000109.8I104 I113 A117 I120 L128 E139 W141 F169I104-L115 HydrophobicContact CD1-CD2 3.75Å; I104-L115 HydrophobicContact CG1-CD2 4.29Å; I104-L115 HydrophobicContact CG2-CD2 3.93Å; I113-L115 HydrophobicContact CG2-CD2 4.16Å; L115-A117 PolarHBondContact O-N 3.29Å; L115-A117 VanDerWaalsContact O-N 3.1Å; L115-I120 HydrophobicContact CB-CD1 4.25Å; L115-I120 HydrophobicContact CD1-CD1 3.54Å; L115-L128 HydrophobicContact CD1-CD1 3.7Å; L115-E139 PolarHBondContact N-O 3.11Å; L115-W141 PolarHBondContact O-N 3.2Å; L115-F169 HydrophobicContact CD1-CE1 4.15Å
116N94.4Very high93.9Very high18 Ų1842.9 Ų42.910%0.09622%0.22CC..EExtended strand (participates in β ladder)trans-73.8106.7178.4-174.2-27.6000110S118 T119 I120 N143N116-S118 PolarHBondContact O-N 3.16Å; N116-S118 WeakPolarHBondContact OD1-CB 3.45Å; N116-S118 PolarHBondContact OD1-N 3.3Å; N116-T119 WeakPolarHBondContact CB-OG1 3.43Å; N116-T119 PolarHBondContact O-N 3.49Å; N116-T119 PolarHBondContact O-OG1 2.97Å; N116-I120 PolarHBondContact O-N 3.29Å; N116-I120 VanDerWaalsContact O-N 3.1Å; N116-N143 PolarHBondContact ND2-ND2 3.38Å; N116-N143 PolarHBondContact ND2-OD1 3.05Å; N116-N143 PolarHBondContact OD1-ND2 3.1Å; N116-N143 VanDerWaalsContact OD1-ND2 3.16Å
117A95.4Very high94Very high0 Ų042 Ų420%022%0.215CC..THydrogen-bonded Turntrans-54.4-31.7-177.800000112.1L115 T119 A140 W141 K160 L164L115-A117 PolarHBondContact O-N 3.29Å; L115-A117 VanDerWaalsContact O-N 3.1Å; A117-T119 VanDerWaalsContact C-N 3.34Å; A117-T119 PolarHBondContact O-N 3.38Å; A117-A140 HydrophobicContact CB-CB 4.03Å; A117-W141 PolarHBondContact N-O 3.19Å; A117-K160 WeakPolarHBondContact O-CE 3.25Å; A117-L164 HydrophobicContact CB-CD1 3.87Å
118S90.3Very high94.2Very high27 Ų2741.2 Ų41.219%0.18921%0.211CC..THydrogen-bonded Turntrans-77.6-18-176-48.50000114.2N116N116-S118 PolarHBondContact O-N 3.16Å; N116-S118 WeakPolarHBondContact OD1-CB 3.45Å; N116-S118 PolarHBondContact OD1-N 3.3Å
119T91.5Very high94.2Very high62 Ų6247.5 Ų47.538%0.3824%0.235SC..THydrogen-bonded Turntrans-123.1-17-170.458.80000114.7Y97 N116 A117 T121Y97-T119 WeakPolarHBondContact OH-CG2 3.31Å; N116-T119 WeakPolarHBondContact CB-OG1 3.43Å; N116-T119 PolarHBondContact O-N 3.49Å; N116-T119 PolarHBondContact O-OG1 2.97Å; A117-T119 VanDerWaalsContact C-N 3.34Å; A117-T119 PolarHBondContact O-N 3.38Å; T119-T121 WeakPolarHBondContact O-CG2 3.47Å; T119-T121 PolarHBondContact O-N 3.04Å
120I93.5Very high94.3Very high9 Ų949.8 Ų49.85%0.04625%0.246CC..  trans-59.8133.5173.9-168.3174.3000111.3L115 N116 D124 I125 K160 W163 L164 F169L115-I120 HydrophobicContact CB-CD1 4.25Å; L115-I120 HydrophobicContact CD1-CD1 3.54Å; N116-I120 PolarHBondContact O-N 3.29Å; N116-I120 VanDerWaalsContact O-N 3.1Å; I120-D124 HydrophobicContact CG1-CB 3.92Å; I120-I125 HydrophobicContact CD1-CD1 4.5Å; I120-I125 HydrophobicContact CD1-CG1 3.94Å; I120-I125 HydrophobicContact CG1-CG1 4.22Å; I120-K160 PolarHBondContact O-NZ 2.73Å; I120-W163 HydrophobicContact CG2-CH2 4.44Å; I120-W163 HydrophobicContact CG2-CZ3 4.02Å; I120-L164 HydrophobicContact CG2-CD2 3.85Å; I120-F169 HydrophobicContact CD1-CE1 4.21Å; I120-F169 HydrophobicContact CD1-CE2 4.3Å; I120-F169 HydrophobicContact CD1-CZ 3.67Å
121T94Very high94.5Very high62 Ų6246.1 Ų46.138%0.3823%0.232SC..  trans-112.4170.3-177.672.60000111.8T119 I123 D124 I125T119-T121 WeakPolarHBondContact O-CG2 3.47Å; T119-T121 PolarHBondContact O-N 3.04Å; T121-I123 VanDerWaalsContact C-N 3.25Å; T121-I123 PolarHBondContact O-N 3.41Å; T121-I123 PolarHBondContact OG1-N 3.19Å; T121-D124 WeakPolarHBondContact CA-OD2 3.5Å; T121-D124 WeakPolarHBondContact CB-OD2 3.09Å; T121-D124 PolarHBondContact N-OD2 3.14Å; T121-D124 PolarHBondContact O-N 3.09Å; T121-D124 VanDerWaalsContact OG1-CG 3.32Å; T121-D124 PolarHBondContact OG1-N 3.1Å; T121-D124 PolarHBondContact OG1-OD2 3.3Å; T121-I125 WeakPolarHBondContact O-CG1 3.16Å; T121-I125 PolarHBondContact O-N 3.34Å
122E94.6Very high94.6Very high97 Ų9751.8 Ų51.845%0.45326%0.262SS..Hα-helixtrans-64.6-31.8174.4-174.4169.1-173.500112.3I125 Q126 W163 Y167E122-I125 PolarHBondContact O-N 3.24Å; E122-Q126 VanDerWaalsContact O-CG 3.32Å; E122-Q126 WeakPolarHBondContact O-CG 3.26Å; E122-Q126 PolarHBondContact O-N 3.17Å; E122-W163 HydrophobicContact CB-CZ2 4.14Å; E122-Y167 PolarHBondContact OE1-OH 2.61Å
123I94.8Very high94.5Very high108 Ų10850.8 Ų50.855%0.55426%0.257SS*.Hα-helixtrans-63.7-45.8175.6-62.1172.5000109.5T121 I125 Q126 E127T121-I123 VanDerWaalsContact C-N 3.25Å; T121-I123 PolarHBondContact O-N 3.41Å; T121-I123 PolarHBondContact OG1-N 3.19Å; I123-I125 VanDerWaalsContact C-N 3.29Å; I123-I125 PolarHBondContact O-N 2.64Å; I123-Q126 PolarHBondContact O-N 3.41Å; I123-Q126 VanDerWaalsContact O-N 3.14Å; I123-E127 HydrophobicContact CG2-CG 4.38Å; I123-E127 WeakPolarHBondContact O-CG 3.48Å; I123-E127 PolarHBondContact O-N 3.45Å
124D94.5Very high94.5Very high40 Ų4052.8 Ų52.821%0.21427%0.268CS..Hα-helixtrans-58.8-42.5178.3-59.1-58.2000111.7N101 I120 T121 Q126 E127 L128N101-D124 WeakPolarHBondContact ND2-CA 3.47Å; N101-D124 PolarHBondContact ND2-OD1 2.97Å; I120-D124 HydrophobicContact CG1-CB 3.92Å; T121-D124 WeakPolarHBondContact CA-OD2 3.5Å; T121-D124 WeakPolarHBondContact CB-OD2 3.09Å; T121-D124 PolarHBondContact N-OD2 3.14Å; T121-D124 PolarHBondContact O-N 3.09Å; T121-D124 VanDerWaalsContact OG1-CG 3.32Å; T121-D124 PolarHBondContact OG1-N 3.1Å; T121-D124 PolarHBondContact OG1-OD2 3.3Å; D124-Q126 VanDerWaalsContact C-N 3.35Å; D124-Q126 PolarHBondContact O-N 3.26Å; D124-E127 PolarHBondContact O-N 3.36Å; D124-L128 WeakPolarHBondContact O-CB 3.41Å; D124-L128 WeakPolarHBondContact O-CD1 3.41Å; D124-L128 WeakPolarHBondContact O-CG 3.43Å; D124-L128 PolarHBondContact O-N 3.35Å
125I93.9Very high94.4Very high0 Ų054.5 Ų54.50%028%0.275CS..Hα-helixtrans-65.6-39.3178.5-64.7170.3000111.4I120 T121 E122 I123 L128 R129 F135 W163 Y167 F169I120-I125 HydrophobicContact CD1-CD1 4.5Å; I120-I125 HydrophobicContact CD1-CG1 3.94Å; I120-I125 HydrophobicContact CG1-CG1 4.22Å; T121-I125 WeakPolarHBondContact O-CG1 3.16Å; T121-I125 PolarHBondContact O-N 3.34Å; E122-I125 PolarHBondContact O-N 3.24Å; I123-I125 VanDerWaalsContact C-N 3.29Å; I123-I125 PolarHBondContact O-N 2.64Å; I125-L128 PolarHBondContact O-N 3.03Å; I125-R129 WeakPolarHBondContact O-CG 3.48Å; I125-R129 PolarHBondContact O-N 2.8Å; I125-F135 HydrophobicContact CG2-CE1 4.05Å; I125-F135 HydrophobicContact CG2-CZ 3.99Å; I125-W163 HydrophobicContact CD1-CH2 3.38Å; I125-W163 HydrophobicContact CD1-CZ2 3.72Å; I125-W163 HydrophobicContact CD1-CZ3 4.05Å; I125-W163 HydrophobicContact CG1-CH2 4.48Å; I125-Y167 HydrophobicContact CD1-CD1 4.23Å; I125-Y167 HydrophobicContact CD1-CD2 3.63Å; I125-Y167 HydrophobicContact CD1-CE2 3.99Å; I125-Y167 HydrophobicContact CD1-CG 3.77Å; I125-Y167 HydrophobicContact CG2-CD1 3.56Å; I125-Y167 HydrophobicContact CG2-CE1 3.83Å; I125-Y167 HydrophobicContact CG2-CG 4.11Å; I125-F169 HydrophobicContact CD1-CE2 3.79Å; I125-F169 HydrophobicContact CD1-CZ 4.45Å; I125-F169 HydrophobicContact CG1-CE2 3.96Å; I125-F169 HydrophobicContact CG1-CZ 4.14Å
126Q94.6Very high94.4Very high95 Ų9561 Ų6144%0.44431%0.31SS..Hα-helixtrans-64.4-46.8175.6-72173.35.300110.9E122 I123 D124 L128 R129 E130E122-Q126 VanDerWaalsContact O-CG 3.32Å; E122-Q126 WeakPolarHBondContact O-CG 3.26Å; E122-Q126 PolarHBondContact O-N 3.17Å; I123-Q126 PolarHBondContact O-N 3.41Å; I123-Q126 VanDerWaalsContact O-N 3.14Å; D124-Q126 VanDerWaalsContact C-N 3.35Å; D124-Q126 PolarHBondContact O-N 3.26Å; Q126-L128 VanDerWaalsContact C-N 3.33Å; Q126-L128 PolarHBondContact O-N 3.35Å; Q126-R129 PolarHBondContact O-N 2.86Å; Q126-R129 VanDerWaalsContact O-N 3.15Å; Q126-E130 WeakPolarHBondContact O-CG 3.44Å; Q126-E130 PolarHBondContact O-N 3.49Å
127E96Very high94.4Very high90 Ų9063.4 Ų63.442%0.42132%0.32SS..Hα-helixtrans-60.3-41176.2-70.5-178.1-179.800111.9N101 I123 D124 R129 E130 A131N101-E127 HydrophobicContact CB-CB 3.87Å; N101-E127 PolarHBondContact ND2-OE2 3.1Å; I123-E127 HydrophobicContact CG2-CG 4.38Å; I123-E127 WeakPolarHBondContact O-CG 3.48Å; I123-E127 PolarHBondContact O-N 3.45Å; D124-E127 PolarHBondContact O-N 3.36Å; E127-R129 VanDerWaalsContact C-N 3.35Å; E127-R129 PolarHBondContact O-N 3.31Å; E127-E130 PolarHBondContact O-N 3Å; E127-A131 VanDerWaalsContact O-CB 3.26Å; E127-A131 WeakPolarHBondContact O-CB 3.33Å; E127-A131 PolarHBondContact O-N 3.06Å
128L95.7Very high94.4Very high0 Ų063.4 Ų63.40%032%0.321CS..Hα-helixtrans-63-39.1175.2-73.6166.4000112.3N101 I104 A105 L115 D124 I125 Q126 A131 N132 A133 F135 L138N101-L128 HydrophobicContact CB-CD2 4.1Å; N101-L128 HydrophobicContact CB-CG 4.16Å; N101-L128 WeakPolarHBondContact O-CD2 3.32Å; I104-L128 HydrophobicContact CB-CD2 3.84Å; I104-L128 HydrophobicContact CG2-CD2 3.44Å; I104-L128 VanDerWaalsContact CG2-CD2 3.44Å; A105-L128 HydrophobicContact CB-CD2 4.47Å; L115-L128 HydrophobicContact CD1-CD1 3.7Å; D124-L128 WeakPolarHBondContact O-CB 3.41Å; D124-L128 WeakPolarHBondContact O-CD1 3.41Å; D124-L128 WeakPolarHBondContact O-CG 3.43Å; D124-L128 PolarHBondContact O-N 3.35Å; I125-L128 PolarHBondContact O-N 3.03Å; Q126-L128 VanDerWaalsContact C-N 3.33Å; Q126-L128 PolarHBondContact O-N 3.35Å; L128-A131 PolarHBondContact O-N 2.77Å; L128-N132 PolarHBondContact O-N 3.03Å; L128-A133 HydrophobicContact CB-CB 4Å; L128-A133 HydrophobicContact CD2-CB 4.06Å; L128-A133 VanDerWaalsContact O-CB 3.25Å; L128-A133 WeakPolarHBondContact O-CB 3.47Å; L128-A133 PolarHBondContact O-N 3.2Å; L128-F135 HydrophobicContact CB-CE2 4.26Å; L128-F135 HydrophobicContact CB-CZ 4.12Å; L128-L138 HydrophobicContact CD1-CD1 4.14Å
129R94.6Very high94.7Very high133 Ų13362.8 Ų62.850%0.50232%0.315SS..Hα-helixtrans-67.3-43.9175.2-75.1177.3174.8-175.1-3.4111.8I125 Q126 E127 A131 N132 F135I125-R129 WeakPolarHBondContact O-CG 3.48Å; I125-R129 PolarHBondContact O-N 2.8Å; Q126-R129 PolarHBondContact O-N 2.86Å; Q126-R129 VanDerWaalsContact O-N 3.15Å; E127-R129 VanDerWaalsContact C-N 3.35Å; E127-R129 PolarHBondContact O-N 3.31Å; R129-A131 VanDerWaalsContact C-N 3.26Å; R129-A131 PolarHBondContact O-N 3.5Å; R129-N132 PolarHBondContact O-N 2.88Å; R129-F135 HydrophobicContact CG-CE2 3.53Å; R129-F135 HydrophobicContact CG-CZ 3.61Å
130E96.1Very high94.9Very high157 Ų15759.8 Ų59.873%0.73430%0.297SS*.Hα-helixtrans-63-35.9177-71.6-179.8179.900111.8Q126 E127 N132Q126-E130 WeakPolarHBondContact O-CG 3.44Å; Q126-E130 PolarHBondContact O-N 3.49Å; E127-E130 PolarHBondContact O-N 3Å; E130-N132 PolarHBondContact O-N 2.82Å
131A96Very high95.1Very high17 Ų1759.4 Ų59.414%0.1430%0.295CS..THydrogen-bonded Turntrans-76.80.9174.300000114.1A105 E127 L128 R129A105-A131 HydrophobicContact CB-CB 3.43Å; A105-A131 VanDerWaalsContact CB-CB 3.43Å; E127-A131 VanDerWaalsContact O-CB 3.26Å; E127-A131 WeakPolarHBondContact O-CB 3.33Å; E127-A131 PolarHBondContact O-N 3.06Å; L128-A131 PolarHBondContact O-N 2.77Å; R129-A131 VanDerWaalsContact C-N 3.26Å; R129-A131 PolarHBondContact O-N 3.5Å
132N95.4Very high95.3Very high126 Ų12656.5 Ų56.567%0.67428%0.276SS*.THydrogen-bonded Turntrans57.144-176.2-54.2-76.8000113.6Q109 L128 R129 E130Q109-N132 PolarHBondContact NE2-O 2.81Å; L128-N132 PolarHBondContact O-N 3.03Å; R129-N132 PolarHBondContact O-N 2.88Å; E130-N132 PolarHBondContact O-N 2.82Å
133A95.1Very high95.3Very high12 Ų1253.7 Ų53.710%0.09926%0.264CS..  trans-60.3141.5171.100000111.1A105 L128 F135 L138A105-A133 HydrophobicContact CB-CB 3.62Å; L128-A133 HydrophobicContact CB-CB 4Å; L128-A133 HydrophobicContact CD2-CB 4.06Å; L128-A133 VanDerWaalsContact O-CB 3.25Å; L128-A133 WeakPolarHBondContact O-CB 3.47Å; L128-A133 PolarHBondContact O-N 3.2Å; A133-F135 HydrophobicContact CB-CD2 4.41Å; A133-F135 HydrophobicContact CB-CE2 4.22Å; A133-F135 WeakPolarHBondContact O-CD2 3.3Å; A133-F135 PolarHBondContact O-N 3.5Å; A133-L138 HydrophobicContact CB-CD1 4.03Å
134D94.6Very high95.3Very high43 Ų4350.5 Ų50.523%0.2325%0.246CC..  trans-78100.5168.8-170.2-11.7000110.3S108 D136 H137 L138S108-D134 PolarHBondContact OG-N 3.07Å; D134-D136 PolarHBondContact O-N 2.99Å; D134-D136 WeakPolarHBondContact OD1-CB 3.37Å; D134-D136 PolarHBondContact OD1-N 3.35Å; D134-D136 VanDerWaalsContact OD1-N 3.08Å; D134-H137 HydrophobicContact CB-CB 4.39Å; D134-H137 PolarHBondContact O-N 2.92Å; D134-H137 VanDerWaalsContact O-N 3.11Å; D134-H137 IonicContact OD2-CE1 3.52Å; D134-H137 IonicContact OD2-CG 3.89Å; D134-H137 IonicContact OD2-ND1 3.22Å; D134-H137 PolarHBondContact OD2-ND1 2.86Å; D134-L138 WeakPolarHBondContact O-CG 3.34Å; D134-L138 PolarHBondContact O-N 3.27Å
135F93.2Very high95.4Very high36 Ų3650.5 Ų50.516%0.15824%0.243CC..G310 helixtrans-67.7-20.4-178.7-86.1-106.4000113.2I125 L128 R129 A133 H137 L138 F169I125-F135 HydrophobicContact CG2-CE1 4.05Å; I125-F135 HydrophobicContact CG2-CZ 3.99Å; L128-F135 HydrophobicContact CB-CE2 4.26Å; L128-F135 HydrophobicContact CB-CZ 4.12Å; R129-F135 HydrophobicContact CG-CE2 3.53Å; R129-F135 HydrophobicContact CG-CZ 3.61Å; A133-F135 HydrophobicContact CB-CD2 4.41Å; A133-F135 HydrophobicContact CB-CE2 4.22Å; A133-F135 WeakPolarHBondContact O-CD2 3.3Å; A133-F135 PolarHBondContact O-N 3.5Å; F135-H137 PolarHBondContact O-N 3.05Å; F135-L138 HydrophobicContact CD1-CD1 4.24Å; F135-L138 HydrophobicContact CD2-CD1 4.25Å; F135-L138 HydrophobicContact CE1-CD1 4.31Å; F135-L138 HydrophobicContact CE2-CD1 4.3Å; F135-L138 HydrophobicContact CG-CD1 4.2Å; F135-L138 HydrophobicContact CZ-CD1 4.32Å; F135-L138 PolarHBondContact O-N 3.11Å; F135-F169 HydrophobicContact CD1-CZ 4.42Å; F135-F169 HydrophobicContact CE1-CE2 4.14Å; F135-F169 AromaticContact CE1-CZ 3.95Å; F135-F169 HydrophobicContact CE1-CZ 3.95Å
136D93.5Very high95.4Very high150 Ų15053 Ų5380%0.80226%0.26SS*.G310 helixtrans-71.9-18.6174.2-67.1-22.2000111.3D134D134-D136 PolarHBondContact O-N 2.99Å; D134-D136 WeakPolarHBondContact OD1-CB 3.37Å; D134-D136 PolarHBondContact OD1-N 3.35Å; D134-D136 VanDerWaalsContact OD1-N 3.08Å
137H94.8Very high95.5Very high67 Ų6755.3 Ų55.331%0.3126%0.264SS..G310 helixtrans-103.610.1172.5-66.8155.1000113.4S108 T112 I113 D134 F135S108-H137 VanDerWaalsContact O-CB 3.27Å; S108-H137 WeakPolarHBondContact O-CB 3.49Å; S108-H137 PolarHBondContact O-ND1 3.16Å; T112-H137 CarbonylContact C-O 3.58Å; T112-H137 VanDerWaalsContact CA-O 3.3Å; T112-H137 WeakPolarHBondContact CA-O 3.47Å; I113-H137 PolarHBondContact N-O 3.18Å; D134-H137 HydrophobicContact CB-CB 4.39Å; D134-H137 PolarHBondContact O-N 2.92Å; D134-H137 VanDerWaalsContact O-N 3.11Å; D134-H137 IonicContact OD2-CE1 3.52Å; D134-H137 IonicContact OD2-CG 3.89Å; D134-H137 IonicContact OD2-ND1 3.22Å; D134-H137 PolarHBondContact OD2-ND1 2.86Å; F135-H137 PolarHBondContact O-N 3.05Å
138L95.5Very high95.5Very high1 Ų152.5 Ų52.51%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-102.1128.3174.1-65.8-176.3000111.7I104 I113 L128 A133 D134 F135 F169I104-L138 HydrophobicContact CG2-CD2 4.04Å; I113-L138 HydrophobicContact CB-CD2 3.99Å; I113-L138 WeakPolarHBondContact O-CA 3.34Å; L128-L138 HydrophobicContact CD1-CD1 4.14Å; A133-L138 HydrophobicContact CB-CD1 4.03Å; D134-L138 WeakPolarHBondContact O-CG 3.34Å; D134-L138 PolarHBondContact O-N 3.27Å; F135-L138 HydrophobicContact CD1-CD1 4.24Å; F135-L138 HydrophobicContact CD2-CD1 4.25Å; F135-L138 HydrophobicContact CE1-CD1 4.31Å; F135-L138 HydrophobicContact CE2-CD1 4.3Å; F135-L138 HydrophobicContact CG-CD1 4.2Å; F135-L138 HydrophobicContact CZ-CD1 4.32Å; F135-L138 PolarHBondContact O-N 3.11Å; L138-F169 HydrophobicContact CB-CD1 4.05Å; L138-F169 HydrophobicContact CB-CE1 3.74Å; L138-F169 HydrophobicContact CD1-CE1 4.22Å
139E96.9Very high95.6Very high13 Ų1360 Ų606%0.06129%0.289CS..EExtended strand (participates in β ladder)trans-118.5152.4174.4-54.1-168.6171.700110.7T112 I113 A114 L115 W141 T170 K213T112-E139 VanDerWaalsContact CG2-CD 3.49Å; T112-E139 HydrophobicContact CG2-CG 3.56Å; T112-E139 WeakPolarHBondContact CG2-OE1 3.19Å; I113-E139 PolarHBondContact O-N 2.86Å; A114-E139 CarbonylContact C-O 3.33Å; A114-E139 WeakPolarHBondContact CA-O 3.28Å; A114-E139 HydrophobicContact CB-CB 4.4Å; L115-E139 PolarHBondContact N-O 3.11Å; E139-W141 PolarHBondContact OE2-NE1 2.85Å; E139-T170 CarbonylContact C-O 3.53Å; E139-T170 VanDerWaalsContact CA-O 3.31Å; E139-T170 WeakPolarHBondContact CA-O 3.39Å; E139-T170 HydrophobicContact CG-CG2 4.32Å; E139-K213 WeakPolarHBondContact OE1-CE 3.1Å; E139-K213 IonicContact OE1-NZ 2.72Å; E139-K213 PolarHBondContact OE1-NZ 2.87Å; E139-K213 IonicContact OE2-NZ 3.22Å; E139-K213 PolarHBondContact OE2-NZ 2.96Å
140A96.6Very high95.7Very high0 Ų056.1 Ų56.10%028%0.28CS..EExtended strand (participates in β ladder)trans-114.1109.4174.100000109.6A117 L164 F169 T170 I171 Q172A117-A140 HydrophobicContact CB-CB 4.03Å; A140-L164 HydrophobicContact CB-CD1 3.76Å; A140-L164 HydrophobicContact CB-CD2 3.8Å; A140-L164 HydrophobicContact CB-CG 4.31Å; A140-F169 HydrophobicContact CB-CB 4.08Å; A140-F169 HydrophobicContact CB-CD1 4.15Å; A140-F169 HydrophobicContact CB-CG 4.19Å; A140-T170 PolarHBondContact N-O 2.93Å; A140-I171 WeakPolarHBondContact O-CA 3.44Å; A140-Q172 PolarHBondContact O-N 3.37Å
141W97.1Very high95.8Very high1 Ų149.3 Ų49.30%0.00425%0.25CS..EExtended strand (participates in β ladder)trans-105.6121.7-176-76.451.9000110.9F32 M64 R94 A114 L115 A117 E139 Q172 F174 Y215F32-W141 HydrophobicContact CB-CH2 4.47Å; F32-W141 HydrophobicContact CB-CZ3 4.05Å; F32-W141 AromaticContact CD2-CE3 3.94Å; F32-W141 HydrophobicContact CD2-CE3 3.94Å; F32-W141 HydrophobicContact CD2-CH2 4.18Å; F32-W141 AromaticContact CD2-CZ3 3.38Å; F32-W141 HydrophobicContact CD2-CZ3 3.38Å; F32-W141 HydrophobicContact CE2-CE3 4.23Å; F32-W141 HydrophobicContact CE2-CZ3 4.14Å; F32-W141 AromaticContact CG-CZ3 3.98Å; F32-W141 HydrophobicContact CG-CZ3 3.98Å; M64-W141 HydrophobicContact CB-CH2 3.7Å; M64-W141 HydrophobicContact CB-CZ2 3.93Å; M64-W141 HydrophobicContact CB-CZ3 4.42Å; M64-W141 HydrophobicContact CE-CZ2 3.97Å; M64-W141 HydrophobicContact CG-CE3 4.48Å; M64-W141 HydrophobicContact CG-CH2 3.71Å; M64-W141 HydrophobicContact CG-CZ2 3.73Å; M64-W141 HydrophobicContact CG-CZ3 4.12Å; R94-W141 PolarHBondContact NH2-O 2.9Å; A114-W141 HydrophobicContact CB-CB 4.41Å; A114-W141 HydrophobicContact CB-CD2 4.29Å; A114-W141 HydrophobicContact CB-CG 3.77Å; L115-W141 PolarHBondContact O-N 3.2Å; A117-W141 PolarHBondContact N-O 3.19Å; E139-W141 PolarHBondContact OE2-NE1 2.85Å; W141-Q172 HydrophobicContact CB-CB 4.42Å; W141-Q172 HydrophobicContact CD2-CB 3.66Å; W141-Q172 HydrophobicContact CD2-CG 3.6Å; W141-Q172 HydrophobicContact CE3-CB 4.21Å; W141-Q172 HydrophobicContact CE3-CG 3.63Å; W141-Q172 HydrophobicContact CG-CB 3.74Å; W141-Q172 HydrophobicContact CG-CG 4.19Å; W141-Q172 HydrophobicContact CH2-CG 3.97Å; W141-Q172 HydrophobicContact CZ2-CB 4.33Å; W141-Q172 HydrophobicContact CZ2-CG 3.94Å; W141-Q172 HydrophobicContact CZ3-CG 3.8Å; W141-F174 HydrophobicContact CE3-CE2 4.28Å; W141-F174 HydrophobicContact CE3-CZ 4.01Å; W141-F174 HydrophobicContact CZ3-CZ 4.02Å; W141-Y215 HydrophobicContact CH2-CD1 4.32Å; W141-Y215 HydrophobicContact CH2-CD2 4.16Å; W141-Y215 AromaticContact CH2-CE1 3.89Å; W141-Y215 HydrophobicContact CH2-CE1 3.89Å; W141-Y215 AromaticContact CH2-CE2 3.73Å; W141-Y215 HydrophobicContact CH2-CE2 3.73Å; W141-Y215 HydrophobicContact CH2-CG 4.46Å; W141-Y215 AromaticContact CH2-CZ 3.58Å; W141-Y215 HydrophobicContact CZ2-CE2 4.29Å; W141-Y215 HydrophobicContact CZ3-CD1 4.42Å; W141-Y215 HydrophobicContact CZ3-CD2 4.4Å; W141-Y215 HydrophobicContact CZ3-CE1 4.42Å; W141-Y215 HydrophobicContact CZ3-CE2 4.4Å; W141-Y215 HydrophobicContact CZ3-CG 4.42Å
142H97Very high95.8Very high0 Ų049.6 Ų49.60%025%0.25CC..PPolyproline II helixtrans-70.9155.8170.5-74.6-80.7000111.3L152 Y157 N161 Q172 F174 T191H142-L152 WeakPolarHBondContact ND1-CD1 3.46Å; H142-Y157 AromaticContact CD2-CE2 3.41Å; H142-Y157 VanDerWaalsContact CD2-CE2 3.41Å; H142-Y157 WeakPolarHBondContact CD2-CE2 3.37Å; H142-Y157 AromaticContact CE1-CD2 3.67Å; H142-Y157 AromaticContact CE1-CE2 3.73Å; H142-Y157 AromaticContact CG-CE2 3.78Å; H142-Y157 AromaticContact NE2-CD2 3.74Å; H142-Y157 AromaticContact NE2-CE2 3.38Å; H142-Y157 WeakPolarHBondContact NE2-CE2 3.39Å; H142-N161 PolarHBondContact NE2-OD1 3.01Å; H142-Q172 PolarHBondContact CD2-O 3.17Å; H142-Q172 VanDerWaalsContact CD2-O 3.31Å; H142-Q172 PolarHBondContact N-O 3.41Å; H142-F174 WeakPolarHBondContact O-CD2 3.34Å; H142-F174 VanDerWaalsContact O-CE2 3.26Å; H142-F174 WeakPolarHBondContact O-CE2 3.41Å; H142-T191 HydrophobicContact CB-CG2 3.6Å
143N95.4Very high95.9Very high38 Ų3848.4 Ų48.420%0.20324%0.243CC..PPolyproline II helixtrans-78.4161.8173.2-56.5-63.5000110.8R94 N116 Y145 T191R94-N143 PolarHBondContact NH2-OD1 3.44Å; N116-N143 PolarHBondContact ND2-ND2 3.38Å; N116-N143 PolarHBondContact ND2-OD1 3.05Å; N116-N143 PolarHBondContact OD1-ND2 3.1Å; N116-N143 VanDerWaalsContact OD1-ND2 3.16Å; N143-Y145 HydrophobicContact CB-CE2 4.12Å; N143-Y145 WeakPolarHBondContact O-CE2 3.12Å; N143-T191 PolarHBondContact O-OG1 3.1Å
144Y95.7Very high95.8Very high42 Ų4251 Ų5117%0.16525%0.252CS..PPolyproline II helixtrans-98.8158.2157.354.8-110.3000110.2F32 P146 F174 R182 L189 P190F32-Y144 AromaticContact CE1-CE1 3.83Å; F32-Y144 HydrophobicContact CE1-CE1 3.83Å; F32-Y144 HydrophobicContact CZ-CE1 4.49Å; Y144-P146 HydrophobicContact CD2-CG 4.29Å; Y144-P146 HydrophobicContact CE2-CG 4.39Å; Y144-F174 HydrophobicContact CD1-CD1 4.06Å; Y144-F174 AromaticContact CD1-CD2 3.92Å; Y144-F174 HydrophobicContact CD1-CD2 3.92Å; Y144-F174 HydrophobicContact CD1-CE1 4.09Å; Y144-F174 AromaticContact CD1-CE2 3.96Å; Y144-F174 HydrophobicContact CD1-CE2 3.96Å; Y144-F174 AromaticContact CD1-CG 3.96Å; Y144-F174 HydrophobicContact CD1-CG 3.96Å; Y144-F174 HydrophobicContact CD1-CZ 4.04Å; Y144-F174 HydrophobicContact CE1-CZ 4.4Å; Y144-R182 PolarHBondContact OH-NH1 3.42Å; Y144-L189 WeakPolarHBondContact CB-O 3.37Å; Y144-L189 HydrophobicContact CD2-CB 4.18Å; Y144-L189 HydrophobicContact CD2-CD1 4.01Å; Y144-L189 HydrophobicContact CD2-CD2 3.83Å; Y144-L189 HydrophobicContact CD2-CG 4.23Å; Y144-L189 HydrophobicContact CE2-CD1 4.12Å; Y144-L189 HydrophobicContact CE2-CD2 4.34Å; Y144-L189 HydrophobicContact CG-CB 4.01Å; Y144-L189 HydrophobicContact CG-CD1 4.3Å; Y144-P190 WeakPolarHBondContact CA-O 3.46Å
145Y96.4Very high95.8Very high40 Ų4054.6 Ų54.616%0.15727%0.271CS..  trans-127.6100.1-172.7-61.3-93.2000111.5N143 R147 T150 A151 L152 P190 R196N143-Y145 HydrophobicContact CB-CE2 4.12Å; N143-Y145 WeakPolarHBondContact O-CE2 3.12Å; Y145-R147 VanDerWaalsContact C-N 3.32Å; Y145-R147 PolarHBondContact O-N 3.47Å; Y145-T150 WeakPolarHBondContact CD1-O 3.32Å; Y145-A151 VanDerWaalsContact CD2-CA 3.44Å; Y145-A151 HydrophobicContact CD2-CB 3.66Å; Y145-A151 VanDerWaalsContact CG-CA 3.41Å; Y145-A151 HydrophobicContact CG-CB 3.85Å; Y145-L152 HydrophobicContact CE2-CD1 4.28Å; Y145-L152 HydrophobicContact CE2-CD2 4.35Å; Y145-L152 HydrophobicContact CE2-CG 3.72Å; Y145-L152 VanDerWaalsContact OH-CD2 3.27Å; Y145-L152 WeakPolarHBondContact OH-CD2 3.46Å; Y145-L152 WeakPolarHBondContact OH-CG 3.37Å; Y145-P190 PolarHBondContact N-O 3.45Å; Y145-R196 PolarHBondContact O-NH1 3.06Å; Y145-R196 PolarHBondContact O-NH2 3.12Å
146P94.3Very high96Very high53 Ų5357.8 Ų57.834%0.34428%0.282SS..  trans-64.8-33.9-179.4-18.629.2000113.5Y144 P148 L185 L189Y144-P146 HydrophobicContact CD2-CG 4.29Å; Y144-P146 HydrophobicContact CE2-CG 4.39Å; P146-P148 WeakPolarHBondContact O-CD 3.32Å; P146-L185 WeakPolarHBondContact O-CD1 3.25Å; P146-L189 HydrophobicContact CB-CD2 3.74Å; P146-L189 HydrophobicContact CG-CD2 3.63Å
147R96.5Very high96.1Very high142 Ų14250.8 Ų50.854%0.53625%0.245SC..SBendtrans-79.2123.2-179.6-172.8-178.1174.8-740.9109.2Y145 T150 L185 R196Y145-R147 VanDerWaalsContact C-N 3.32Å; Y145-R147 PolarHBondContact O-N 3.47Å; R147-T150 HydrophobicContact CB-CG2 4.01Å; R147-T150 HydrophobicContact CG-CG2 3.91Å; R147-T150 PolarHBondContact O-N 3.48Å; R147-T150 PolarHBondContact O-OG1 3.12Å; R147-L185 HydrophobicContact CB-CD1 4.15Å; R147-L185 HydrophobicContact CG-CD1 4.48Å; R147-R196 PolarHBondContact O-NH2 2.74Å
148P96.3Very high96.2Very high32 Ų3251.3 Ų51.321%0.20825%0.247CC..THydrogen-bonded Turntrans-51.7151.4169.9-26.535.7000112.3P146 T150 R187P146-P148 WeakPolarHBondContact O-CD 3.32Å; P148-T150 PolarHBondContact O-N 3.47Å; P148-R187 HydrophobicContact CG-CB 3.83Å; P148-R187 HydrophobicContact CG-CG 3.73Å
149E96.8Very high96.1Very high158 Ų15857.9 Ų57.974%0.73828%0.278SS*.THydrogen-bonded Turntrans67.815.1177.5-47.5157.4173.100114.2E193E149-E193 VanDerWaalsContact CA-CD 3.49Å; E149-E193 WeakPolarHBondContact CA-OE1 3.49Å; E149-E193 PolarHBondContact N-OE1 3.45Å; E149-E193 PolarHBondContact N-OE2 3.36Å
150T97.2Very high96.1Very high51 Ų5158.7 Ų58.731%0.31328%0.281SS..  trans-123.8-6.9-177.968.90000114.6Y145 R147 P148 E193Y145-T150 WeakPolarHBondContact CD1-O 3.32Å; R147-T150 HydrophobicContact CB-CG2 4.01Å; R147-T150 HydrophobicContact CG-CG2 3.91Å; R147-T150 PolarHBondContact O-N 3.48Å; R147-T150 PolarHBondContact O-OG1 3.12Å; P148-T150 PolarHBondContact O-N 3.47Å; T150-E193 PolarHBondContact N-OE2 2.97Å
151A97.1Very high96.1Very high13 Ų1358.7 Ų58.711%0.10728%0.281CS..SBendtrans-68.9165.4172.600000110.9Y145 P190 T191 E193Y145-A151 VanDerWaalsContact CD2-CA 3.44Å; Y145-A151 HydrophobicContact CD2-CB 3.66Å; Y145-A151 VanDerWaalsContact CG-CA 3.41Å; Y145-A151 HydrophobicContact CG-CB 3.85Å; A151-P190 HydrophobicContact CB-CG 4.35Å; A151-T191 WeakPolarHBondContact CB-O 3.36Å; A151-E193 HydrophobicContact CB-CB 3.87Å; A151-E193 WeakPolarHBondContact CB-OE2 3.39Å; A151-E193 PolarHBondContact N-OE2 3.44Å
152L97.5Very high96Very high24 Ų2463.3 Ų63.313%0.12630%0.303CS..BIsolated β-bridgetrans-67.1148-170.8-62.1173.8000111.5H142 Y145 W156 Y157 T191 L192 E193H142-L152 WeakPolarHBondContact ND1-CD1 3.46Å; Y145-L152 HydrophobicContact CE2-CD1 4.28Å; Y145-L152 HydrophobicContact CE2-CD2 4.35Å; Y145-L152 HydrophobicContact CE2-CG 3.72Å; Y145-L152 VanDerWaalsContact OH-CD2 3.27Å; Y145-L152 WeakPolarHBondContact OH-CD2 3.46Å; Y145-L152 WeakPolarHBondContact OH-CG 3.37Å; L152-W156 HydrophobicContact CD1-CE3 4.13Å; L152-W156 HydrophobicContact CD1-CZ3 3.72Å; L152-W156 HydrophobicContact CD2-CE3 3.92Å; L152-W156 HydrophobicContact CD2-CZ3 3.82Å; L152-W156 HydrophobicContact CG-CE3 4.42Å; L152-W156 HydrophobicContact CG-CZ3 4.33Å; L152-Y157 HydrophobicContact CD1-CD2 4.05Å; L152-T191 WeakPolarHBondContact CB-O 3.42Å; L152-T191 HydrophobicContact CD1-CG2 3.97Å; L152-T191 PolarHBondContact N-O 2.85Å; L152-L192 HydrophobicContact CB-CD2 4.13Å; L152-E193 PolarHBondContact O-N 3.08Å; L152-E193 VanDerWaalsContact O-N 3.1Å
153D96.8Very high96Very high100 Ų10066.6 Ų66.654%0.53532%0.315SS..PPolyproline II helixtrans-71.3144.1166175.4-97.3000110.6D155 W156 Y157D153-D155 WeakPolarHBondContact OD1-CB 3.45Å; D153-D155 PolarHBondContact OD1-N 3.03Å; D153-W156 HydrophobicContact CB-CB 4.27Å; D153-W156 PolarHBondContact OD1-N 2.92Å; D153-W156 VanDerWaalsContact OD1-N 3.14Å; D153-Y157 VanDerWaalsContact O-CB 3.28Å; D153-Y157 WeakPolarHBondContact O-CB 3.34Å; D153-Y157 PolarHBondContact O-N 2.78Å
154K94Very high96Very high68 Ų6864.8 Ų64.830%0.29631%0.305SS..Hα-helixtrans-67.5-39.9-174.8-167.2-176.2-165.4125.20112.6Y157 H158 L192 E194 D206K154-Y157 PolarHBondContact O-N 2.87Å; K154-H158 WeakPolarHBondContact O-CB 3.44Å; K154-H158 PolarHBondContact O-N 3.06Å; K154-L192 HydrophobicContact CG-CD1 4.41Å; K154-E194 VanDerWaalsContact CD-OE1 3.31Å; K154-E194 WeakPolarHBondContact CD-OE1 3.48Å; K154-E194 WeakPolarHBondContact CE-OE1 3.11Å; K154-E194 IonicContact NZ-OE1 3.59Å; K154-E194 PolarHBondContact NZ-OE1 3.21Å; K154-E194 IonicContact NZ-OE2 2.86Å; K154-D206 VanDerWaalsContact NZ-CG 3.29Å; K154-D206 IonicContact NZ-OD1 3.14Å; K154-D206 PolarHBondContact NZ-OD1 3.35Å; K154-D206 IonicContact NZ-OD2 3.42Å; K154-D206 PolarHBondContact NZ-OD2 3.44Å
155D94.5Very high95.9Very high117 Ų11766.5 Ų66.563%0.62631%0.314SS*.Hα-helixtrans-70.2-42.9-178.1-67.5-23.4000110.1D153 Y157 H158 E159D153-D155 WeakPolarHBondContact OD1-CB 3.45Å; D153-D155 PolarHBondContact OD1-N 3.03Å; D155-Y157 VanDerWaalsContact C-N 3.33Å; D155-Y157 PolarHBondContact O-N 3.41Å; D155-H158 WeakPolarHBondContact O-CB 3.45Å; D155-H158 PolarHBondContact O-N 3.37Å; D155-E159 PolarHBondContact O-N 3.18Å
156W96.3Very high95.8Very high103 Ų10368.6 Ų68.639%0.3934%0.339SS..Hα-helixtrans-60.3-43.6173.8-175.290.9000112.2L152 D153 H158 E159 K160L152-W156 HydrophobicContact CD1-CE3 4.13Å; L152-W156 HydrophobicContact CD1-CZ3 3.72Å; L152-W156 HydrophobicContact CD2-CE3 3.92Å; L152-W156 HydrophobicContact CD2-CZ3 3.82Å; L152-W156 HydrophobicContact CG-CE3 4.42Å; L152-W156 HydrophobicContact CG-CZ3 4.33Å; D153-W156 HydrophobicContact CB-CB 4.27Å; D153-W156 PolarHBondContact OD1-N 2.92Å; D153-W156 VanDerWaalsContact OD1-N 3.14Å; W156-H158 VanDerWaalsContact C-N 3.32Å; W156-H158 PolarHBondContact O-N 3.49Å; W156-E159 PolarHBondContact O-N 3.35Å; W156-K160 HydrophobicContact CE3-CB 4.24Å; W156-K160 HydrophobicContact CH2-CB 4.04Å; W156-K160 HydrophobicContact CH2-CD 4.29Å; W156-K160 HydrophobicContact CH2-CG 3.79Å; W156-K160 HydrophobicContact CZ2-CB 4.42Å; W156-K160 HydrophobicContact CZ2-CD 4.45Å; W156-K160 HydrophobicContact CZ2-CG 4.34Å; W156-K160 HydrophobicContact CZ3-CB 3.93Å; W156-K160 HydrophobicContact CZ3-CG 4.05Å; W156-K160 WeakPolarHBondContact O-CB 3.49Å; W156-K160 PolarHBondContact O-N 2.98Å
157Y96.3Very high95.7Very high4 Ų468.2 Ų68.22%0.01633%0.331CS..Hα-helixtrans-60.8-42.4177.7178.8-97.2000112H142 L152 D153 K154 D155 K160 N161 T191 L192 L207 E210 T211H142-Y157 AromaticContact CD2-CE2 3.41Å; H142-Y157 VanDerWaalsContact CD2-CE2 3.41Å; H142-Y157 WeakPolarHBondContact CD2-CE2 3.37Å; H142-Y157 AromaticContact CE1-CD2 3.67Å; H142-Y157 AromaticContact CE1-CE2 3.73Å; H142-Y157 AromaticContact CG-CE2 3.78Å; H142-Y157 AromaticContact NE2-CD2 3.74Å; H142-Y157 AromaticContact NE2-CE2 3.38Å; H142-Y157 WeakPolarHBondContact NE2-CE2 3.39Å; L152-Y157 HydrophobicContact CD1-CD2 4.05Å; D153-Y157 VanDerWaalsContact O-CB 3.28Å; D153-Y157 WeakPolarHBondContact O-CB 3.34Å; D153-Y157 PolarHBondContact O-N 2.78Å; K154-Y157 PolarHBondContact O-N 2.87Å; D155-Y157 VanDerWaalsContact C-N 3.33Å; D155-Y157 PolarHBondContact O-N 3.41Å; Y157-K160 PolarHBondContact O-N 3Å; Y157-N161 WeakPolarHBondContact CE1-ND2 3.48Å; Y157-N161 WeakPolarHBondContact O-CB 3.41Å; Y157-N161 VanDerWaalsContact O-CG 3.32Å; Y157-N161 PolarHBondContact O-N 3.19Å; Y157-N161 PolarHBondContact OH-ND2 3.15Å; Y157-T191 HydrophobicContact CD2-CG2 4.1Å; Y157-T191 HydrophobicContact CE2-CG2 3.68Å; Y157-L192 HydrophobicContact CD1-CD1 4.3Å; Y157-L192 HydrophobicContact CD1-CD2 4.07Å; Y157-L192 HydrophobicContact CD2-CD2 3.94Å; Y157-L192 HydrophobicContact CE1-CD1 4.47Å; Y157-L192 HydrophobicContact CG-CD2 3.63Å; Y157-L192 HydrophobicContact CG-CG 4.46Å; Y157-L207 HydrophobicContact CE1-CD1 3.8Å; Y157-L207 HydrophobicContact CE2-CD1 4.28Å; Y157-L207 VanDerWaalsContact CZ-CD1 3.49Å; Y157-L207 WeakPolarHBondContact OH-CD1 3.32Å; Y157-L207 WeakPolarHBondContact OH-CG 3.21Å; Y157-E210 HydrophobicContact CE1-CB 4.23Å; Y157-T211 WeakPolarHBondContact OH-CG2 3.33Å
158H95.3Very high95.4Very high78 Ų7864 Ų6436%0.36133%0.331SS..Hα-helixtrans-59-53175.7179.976.1000111.8K154 D155 W156 K160 N161 Q162 E210K154-H158 WeakPolarHBondContact O-CB 3.44Å; K154-H158 PolarHBondContact O-N 3.06Å; D155-H158 WeakPolarHBondContact O-CB 3.45Å; D155-H158 PolarHBondContact O-N 3.37Å; W156-H158 VanDerWaalsContact C-N 3.32Å; W156-H158 PolarHBondContact O-N 3.49Å; H158-K160 VanDerWaalsContact C-N 3.33Å; H158-K160 PolarHBondContact O-N 2.99Å; H158-N161 PolarHBondContact O-N 2.74Å; H158-Q162 WeakPolarHBondContact O-CG 3.28Å; H158-Q162 PolarHBondContact O-N 3.47Å; H158-E210 VanDerWaalsContact CA-OE2 3.29Å; H158-E210 WeakPolarHBondContact CA-OE2 3.48Å; H158-E210 IonicContact CE1-OE1 3.84Å; H158-E210 IonicContact CE1-OE2 3.79Å; H158-E210 IonicContact CG-OE1 3.74Å; H158-E210 IonicContact CG-OE2 3.55Å; H158-E210 IonicContact ND1-OE1 2.85Å; H158-E210 PolarHBondContact ND1-OE1 2.94Å; H158-E210 IonicContact ND1-OE2 2.83Å; H158-E210 PolarHBondContact ND1-OE2 3.4Å
159E95.4Very high95.3Very high138 Ų13862.7 Ų62.765%0.64532%0.323SS*.Hα-helixtrans-59.1-44.1179-70.2-177.5175.200111.8D155 W156 N161 Q162 W163D155-E159 PolarHBondContact O-N 3.18Å; W156-E159 PolarHBondContact O-N 3.35Å; E159-N161 VanDerWaalsContact C-N 3.34Å; E159-N161 PolarHBondContact O-N 3.06Å; E159-Q162 PolarHBondContact O-N 3.01Å; E159-W163 WeakPolarHBondContact O-CB 3.35Å; E159-W163 PolarHBondContact O-N 3.44Å
160K96.4Very high95.2Very high31 Ų3157.4 Ų57.414%0.13530%0.301CS..Hα-helixtrans-63.7-40.6179.4-171.359.4172.3178.50111.8A117 I120 W156 Y157 H158 W163 L164A117-K160 WeakPolarHBondContact O-CE 3.25Å; I120-K160 PolarHBondContact O-NZ 2.73Å; W156-K160 HydrophobicContact CE3-CB 4.24Å; W156-K160 HydrophobicContact CH2-CB 4.04Å; W156-K160 HydrophobicContact CH2-CD 4.29Å; W156-K160 HydrophobicContact CH2-CG 3.79Å; W156-K160 HydrophobicContact CZ2-CB 4.42Å; W156-K160 HydrophobicContact CZ2-CD 4.45Å; W156-K160 HydrophobicContact CZ2-CG 4.34Å; W156-K160 HydrophobicContact CZ3-CB 3.93Å; W156-K160 HydrophobicContact CZ3-CG 4.05Å; W156-K160 WeakPolarHBondContact O-CB 3.49Å; W156-K160 PolarHBondContact O-N 2.98Å; Y157-K160 PolarHBondContact O-N 3Å; H158-K160 VanDerWaalsContact C-N 3.33Å; H158-K160 PolarHBondContact O-N 2.99Å; K160-W163 HydrophobicContact CD-CE3 3.93Å; K160-W163 HydrophobicContact CD-CZ3 4.37Å; K160-W163 PolarHBondContact O-N 3.08Å; K160-L164 HydrophobicContact CG-CD1 4.19Å; K160-L164 WeakPolarHBondContact O-CG 3.2Å; K160-L164 PolarHBondContact O-N 3.23Å
161N96.5Very high95.2Very high0 Ų055 Ų550%029%0.286CS..Hα-helixtrans-71.3-38.3179.6-75.5-3.5000112.8H142 Y157 H158 E159 W163 L164 K165 I171H142-N161 PolarHBondContact NE2-OD1 3.01Å; Y157-N161 WeakPolarHBondContact CE1-ND2 3.48Å; Y157-N161 WeakPolarHBondContact O-CB 3.41Å; Y157-N161 VanDerWaalsContact O-CG 3.32Å; Y157-N161 PolarHBondContact O-N 3.19Å; Y157-N161 PolarHBondContact OH-ND2 3.15Å; H158-N161 PolarHBondContact O-N 2.74Å; E159-N161 VanDerWaalsContact C-N 3.34Å; E159-N161 PolarHBondContact O-N 3.06Å; N161-W163 VanDerWaalsContact C-N 3.28Å; N161-W163 PolarHBondContact O-N 3.46Å; N161-L164 PolarHBondContact O-N 2.96Å; N161-K165 WeakPolarHBondContact O-CB 3.38Å; N161-K165 WeakPolarHBondContact O-CG 3.41Å; N161-K165 PolarHBondContact O-N 2.91Å; N161-I171 HydrophobicContact CB-CD1 3.94Å; N161-I171 WeakPolarHBondContact O-CD1 3.37Å
162Q95.1Very high95.2Very high98 Ų9854.3 Ų54.346%0.45828%0.281SS..Hα-helixtrans-59.6-42.7171.8-68.8-60.3-35.700111.2H158 E159 K165 A166H158-Q162 WeakPolarHBondContact O-CG 3.28Å; H158-Q162 PolarHBondContact O-N 3.47Å; E159-Q162 PolarHBondContact O-N 3.01Å; Q162-K165 PolarHBondContact O-N 3.08Å; Q162-A166 PolarHBondContact O-N 2.91Å; Q162-A166 VanDerWaalsContact O-N 3.07Å
163W96.1Very high95.2Very high68 Ų6853.2 Ų53.226%0.25828%0.275SS..Hα-helixtrans-63.9-46.2176.4178.483.9000112.3I120 E122 I125 E159 K160 N161 A166 Y167I120-W163 HydrophobicContact CG2-CH2 4.44Å; I120-W163 HydrophobicContact CG2-CZ3 4.02Å; E122-W163 HydrophobicContact CB-CZ2 4.14Å; I125-W163 HydrophobicContact CD1-CH2 3.38Å; I125-W163 HydrophobicContact CD1-CZ2 3.72Å; I125-W163 HydrophobicContact CD1-CZ3 4.05Å; I125-W163 HydrophobicContact CG1-CH2 4.48Å; E159-W163 WeakPolarHBondContact O-CB 3.35Å; E159-W163 PolarHBondContact O-N 3.44Å; K160-W163 HydrophobicContact CD-CE3 3.93Å; K160-W163 HydrophobicContact CD-CZ3 4.37Å; K160-W163 PolarHBondContact O-N 3.08Å; N161-W163 VanDerWaalsContact C-N 3.28Å; N161-W163 PolarHBondContact O-N 3.46Å; W163-A166 WeakPolarHBondContact O-CB 3.22Å; W163-A166 PolarHBondContact O-N 2.92Å; W163-Y167 HydrophobicContact CD2-CD2 4.4Å; W163-Y167 HydrophobicContact CD2-CE2 4.31Å; W163-Y167 AromaticContact CE2-CE2 3.66Å; W163-Y167 HydrophobicContact CZ2-CD2 4.38Å; W163-Y167 AromaticContact CZ2-CE2 3.95Å; W163-Y167 HydrophobicContact CZ2-CE2 3.95Å; W163-Y167 AromaticContact NE1-CE2 3.54Å; W163-Y167 VanDerWaalsContact O-CD2 3.29Å; W163-Y167 WeakPolarHBondContact O-CD2 3.21Å
164L95.9Very high95.3Very high0 Ų048.5 Ų48.50%025%0.25CC..Hα-helixtrans-62.4-43.2176.4-74.2168.1000112.4A117 I120 A140 K160 N161 A166 Y167 G168 F169 I171A117-L164 HydrophobicContact CB-CD1 3.87Å; I120-L164 HydrophobicContact CG2-CD2 3.85Å; A140-L164 HydrophobicContact CB-CD1 3.76Å; A140-L164 HydrophobicContact CB-CD2 3.8Å; A140-L164 HydrophobicContact CB-CG 4.31Å; K160-L164 HydrophobicContact CG-CD1 4.19Å; K160-L164 WeakPolarHBondContact O-CG 3.2Å; K160-L164 PolarHBondContact O-N 3.23Å; N161-L164 PolarHBondContact O-N 2.96Å; L164-A166 VanDerWaalsContact C-N 3.29Å; L164-A166 PolarHBondContact O-N 3.14Å; L164-Y167 PolarHBondContact O-N 3.03Å; L164-G168 PolarHBondContact O-N 2.93Å; L164-F169 HydrophobicContact CB-CB 4.44Å; L164-F169 HydrophobicContact CD2-CD2 3.97Å; L164-F169 HydrophobicContact CD2-CE2 4.41Å; L164-F169 HydrophobicContact CD2-CG 4.35Å; L164-F169 PolarHBondContact O-N 2.72Å; L164-I171 HydrophobicContact CB-CD1 3.52Å; L164-I171 HydrophobicContact CB-CG1 4.1Å; L164-I171 HydrophobicContact CD1-CD1 4.18Å; L164-I171 HydrophobicContact CD1-CG1 4.48Å; L164-I171 HydrophobicContact CD1-CG2 4.49Å
165K93.1Very high95.4Very high78 Ų7845.2 Ų45.234%0.33924%0.236SC..Hα-helixtrans-61-37176.6-76.6-178-179-179.50112.2N161 Q162 Y167 G168 I171 E210N161-K165 WeakPolarHBondContact O-CB 3.38Å; N161-K165 WeakPolarHBondContact O-CG 3.41Å; N161-K165 PolarHBondContact O-N 2.91Å; Q162-K165 PolarHBondContact O-N 3.08Å; K165-Y167 PolarHBondContact O-N 2.64Å; K165-G168 PolarHBondContact O-N 2.82Å; K165-I171 HydrophobicContact CD-CD1 4.49Å; K165-I171 HydrophobicContact CG-CD1 3.67Å; K165-E210 WeakPolarHBondContact CE-O 3.45Å; K165-E210 PolarHBondContact NZ-O 2.9Å
166A93.7Very high95.6Very high84 Ų8439.9 Ų39.969%0.69421%0.207SC*.Hα-helixtrans-61.5-22175.700000113.3Q162 W163 L164Q162-A166 PolarHBondContact O-N 2.91Å; Q162-A166 VanDerWaalsContact O-N 3.07Å; W163-A166 WeakPolarHBondContact O-CB 3.22Å; W163-A166 PolarHBondContact O-N 2.92Å; L164-A166 VanDerWaalsContact C-N 3.29Å; L164-A166 PolarHBondContact O-N 3.14Å
167Y92.9Very high95.5Very high46 Ų4635.4 Ų35.418%0.1819%0.193CC..THydrogen-bonded Turntrans-96.2-0.8174.9-74.4-73.1000114.4E122 I125 W163 L164 K165E122-Y167 PolarHBondContact OE1-OH 2.61Å; I125-Y167 HydrophobicContact CD1-CD1 4.23Å; I125-Y167 HydrophobicContact CD1-CD2 3.63Å; I125-Y167 HydrophobicContact CD1-CE2 3.99Å; I125-Y167 HydrophobicContact CD1-CG 3.77Å; I125-Y167 HydrophobicContact CG2-CD1 3.56Å; I125-Y167 HydrophobicContact CG2-CE1 3.83Å; I125-Y167 HydrophobicContact CG2-CG 4.11Å; W163-Y167 HydrophobicContact CD2-CD2 4.4Å; W163-Y167 HydrophobicContact CD2-CE2 4.31Å; W163-Y167 AromaticContact CE2-CE2 3.66Å; W163-Y167 HydrophobicContact CZ2-CD2 4.38Å; W163-Y167 AromaticContact CZ2-CE2 3.95Å; W163-Y167 HydrophobicContact CZ2-CE2 3.95Å; W163-Y167 AromaticContact NE1-CE2 3.54Å; W163-Y167 VanDerWaalsContact O-CD2 3.29Å; W163-Y167 WeakPolarHBondContact O-CD2 3.21Å; L164-Y167 PolarHBondContact O-N 3.03Å; K165-Y167 PolarHBondContact O-N 2.64Å
168G90.3Very high95.4Very high52 Ų5238.2 Ų38.254%0.53621%0.208SC..THydrogen-bonded Turntrans84.713.3176.500000115.1L164 K165L164-G168 PolarHBondContact O-N 2.93Å; K165-G168 PolarHBondContact O-N 2.82Å
169F93.9Very high95.3Very high6 Ų638.8 Ų38.83%0.02621%0.211CC..  trans-69.3140176.5-74.4-83.6000112L115 I120 I125 F135 L138 A140 L164L115-F169 HydrophobicContact CD1-CE1 4.15Å; I120-F169 HydrophobicContact CD1-CE1 4.21Å; I120-F169 HydrophobicContact CD1-CE2 4.3Å; I120-F169 HydrophobicContact CD1-CZ 3.67Å; I125-F169 HydrophobicContact CD1-CE2 3.79Å; I125-F169 HydrophobicContact CD1-CZ 4.45Å; I125-F169 HydrophobicContact CG1-CE2 3.96Å; I125-F169 HydrophobicContact CG1-CZ 4.14Å; F135-F169 HydrophobicContact CD1-CZ 4.42Å; F135-F169 HydrophobicContact CE1-CE2 4.14Å; F135-F169 AromaticContact CE1-CZ 3.95Å; F135-F169 HydrophobicContact CE1-CZ 3.95Å; L138-F169 HydrophobicContact CB-CD1 4.05Å; L138-F169 HydrophobicContact CB-CE1 3.74Å; L138-F169 HydrophobicContact CD1-CE1 4.22Å; A140-F169 HydrophobicContact CB-CB 4.08Å; A140-F169 HydrophobicContact CB-CD1 4.15Å; A140-F169 HydrophobicContact CB-CG 4.19Å; L164-F169 HydrophobicContact CB-CB 4.44Å; L164-F169 HydrophobicContact CD2-CD2 3.97Å; L164-F169 HydrophobicContact CD2-CE2 4.41Å; L164-F169 HydrophobicContact CD2-CG 4.35Å; L164-F169 PolarHBondContact O-N 2.72Å
170T95.3Very high95Very high46 Ų4638.3 Ų38.328%0.28221%0.207SC..EExtended strand (participates in β ladder)trans-74.1126.2158-63.80000108.6E139 A140 D212 K213E139-T170 CarbonylContact C-O 3.53Å; E139-T170 VanDerWaalsContact CA-O 3.31Å; E139-T170 WeakPolarHBondContact CA-O 3.39Å; E139-T170 HydrophobicContact CG-CG2 4.32Å; A140-T170 PolarHBondContact N-O 2.93Å; T170-D212 HydrophobicContact CG2-CB 3.83Å; T170-K213 HydrophobicContact CG2-CD 4.34Å; T170-K213 HydrophobicContact CG2-CG 4.25Å
171I97Very high94.8Very high0 Ų039.4 Ų39.40%021%0.214CC..EExtended strand (participates in β ladder)trans-107.7136.4-173.6-49.3-178.7000111.1A140 N161 L164 K165 T211 D212 K213A140-I171 WeakPolarHBondContact O-CA 3.44Å; N161-I171 HydrophobicContact CB-CD1 3.94Å; N161-I171 WeakPolarHBondContact O-CD1 3.37Å; L164-I171 HydrophobicContact CB-CD1 3.52Å; L164-I171 HydrophobicContact CB-CG1 4.1Å; L164-I171 HydrophobicContact CD1-CD1 4.18Å; L164-I171 HydrophobicContact CD1-CG1 4.48Å; L164-I171 HydrophobicContact CD1-CG2 4.49Å; K165-I171 HydrophobicContact CD-CD1 4.49Å; K165-I171 HydrophobicContact CG-CD1 3.67Å; I171-T211 HydrophobicContact CB-CG2 4.28Å; I171-T211 HydrophobicContact CG2-CG2 3.79Å; I171-D212 PolarHBondContact N-OD2 3.47Å; I171-D212 PolarHBondContact O-N 2.9Å; I171-K213 PolarHBondContact O-N 3.22Å; I171-K213 VanDerWaalsContact O-N 3.08Å
172Q97.4Very high94.4Very high0 Ų042.1 Ų42.10%022%0.224CC..EExtended strand (participates in β ladder)trans-122.8145.6177.2-175.8-80.6-14.700112.3A140 W141 H142 K213 Y215A140-Q172 PolarHBondContact O-N 3.37Å; W141-Q172 HydrophobicContact CB-CB 4.42Å; W141-Q172 HydrophobicContact CD2-CB 3.66Å; W141-Q172 HydrophobicContact CD2-CG 3.6Å; W141-Q172 HydrophobicContact CE3-CB 4.21Å; W141-Q172 HydrophobicContact CE3-CG 3.63Å; W141-Q172 HydrophobicContact CG-CB 3.74Å; W141-Q172 HydrophobicContact CG-CG 4.19Å; W141-Q172 HydrophobicContact CH2-CG 3.97Å; W141-Q172 HydrophobicContact CZ2-CB 4.33Å; W141-Q172 HydrophobicContact CZ2-CG 3.94Å; W141-Q172 HydrophobicContact CZ3-CG 3.8Å; H142-Q172 PolarHBondContact CD2-O 3.17Å; H142-Q172 VanDerWaalsContact CD2-O 3.31Å; H142-Q172 PolarHBondContact N-O 3.41Å; Q172-K213 VanDerWaalsContact CA-O 3.25Å; Q172-K213 WeakPolarHBondContact CA-O 3.44Å; Q172-K213 HydrophobicContact CB-CB 3.92Å; Q172-K213 HydrophobicContact CG-CB 3.8Å; Q172-Y215 HydrophobicContact CG-CD2 3.8Å; Q172-Y215 HydrophobicContact CG-CE2 4.15Å
173G97.5Very high93.9Very high0 Ų038.8 Ų38.80%022%0.216CC..EExtended strand (participates in β ladder)trans-144.8170165.700000114.5K213 V214 Y215G173-K213 PolarHBondContact N-O 3.42Å; G173-K213 VanDerWaalsContact N-O 3.08Å; G173-V214 WeakPolarHBondContact O-CA 3.46Å; G173-Y215 PolarHBondContact O-N 3.31Å
174F98Very high93.4Very high1 Ų141 Ų410%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-109.1144.9-175.9-65.7-86.2000113.1F32 W141 H142 Y144 T191 Y215F32-F174 HydrophobicContact CB-CE1 4.3Å; F32-F174 AromaticContact CD1-CE1 3.81Å; F32-F174 HydrophobicContact CD1-CE1 3.81Å; F32-F174 AromaticContact CD1-CZ 3.79Å; F32-F174 HydrophobicContact CD1-CZ 3.79Å; F32-F174 HydrophobicContact CD2-CZ 4.07Å; F32-F174 HydrophobicContact CE1-CE1 4.32Å; F32-F174 AromaticContact CE1-CZ 3.96Å; F32-F174 HydrophobicContact CE1-CZ 3.96Å; F32-F174 HydrophobicContact CE2-CZ 4.18Å; F32-F174 AromaticContact CG-CE1 3.98Å; F32-F174 HydrophobicContact CG-CE1 3.98Å; F32-F174 AromaticContact CG-CZ 3.85Å; F32-F174 HydrophobicContact CG-CZ 3.85Å; F32-F174 HydrophobicContact CZ-CZ 4.13Å; W141-F174 HydrophobicContact CE3-CE2 4.28Å; W141-F174 HydrophobicContact CE3-CZ 4.01Å; W141-F174 HydrophobicContact CZ3-CZ 4.02Å; H142-F174 WeakPolarHBondContact O-CD2 3.34Å; H142-F174 VanDerWaalsContact O-CE2 3.26Å; H142-F174 WeakPolarHBondContact O-CE2 3.41Å; Y144-F174 HydrophobicContact CD1-CD1 4.06Å; Y144-F174 AromaticContact CD1-CD2 3.92Å; Y144-F174 HydrophobicContact CD1-CD2 3.92Å; Y144-F174 HydrophobicContact CD1-CE1 4.09Å; Y144-F174 AromaticContact CD1-CE2 3.96Å; Y144-F174 HydrophobicContact CD1-CE2 3.96Å; Y144-F174 AromaticContact CD1-CG 3.96Å; Y144-F174 HydrophobicContact CD1-CG 3.96Å; Y144-F174 HydrophobicContact CD1-CZ 4.04Å; Y144-F174 HydrophobicContact CE1-CZ 4.4Å; F174-T191 PolarHBondContact N-OG1 3.33Å; F174-T191 WeakPolarHBondContact O-CB 3.32Å; F174-T191 PolarHBondContact O-N 3.16Å; F174-T191 PolarHBondContact O-OG1 2.89Å; F174-Y215 CarbonylContact C-O 3.54Å; F174-Y215 VanDerWaalsContact CA-O 3.26Å; F174-Y215 WeakPolarHBondContact CA-O 3.43Å
175V97.7Very high93.1Very high0 Ų045 Ų450%026%0.26CS..EExtended strand (participates in β ladder)trans-121.9151.6168.5-61.80000109.6A203 A204 L207 V214 Y215 I216 G217V175-A203 HydrophobicContact CB-CB 4Å; V175-A203 HydrophobicContact CG1-CB 3.83Å; V175-A204 HydrophobicContact CG1-CB 4.44Å; V175-A204 HydrophobicContact CG2-CB 4.18Å; V175-L207 HydrophobicContact CG1-CB 4.29Å; V175-L207 HydrophobicContact CG1-CD2 3.81Å; V175-V214 HydrophobicContact CG1-CG1 3.91Å; V175-V214 HydrophobicContact CG2-CG1 4.02Å; V175-Y215 PolarHBondContact N-O 2.95Å; V175-I216 HydrophobicContact CG2-CD1 3.62Å; V175-I216 WeakPolarHBondContact O-CA 3.27Å; V175-G217 PolarHBondContact O-N 3.08Å
176P97Very high93Very high4 Ų448.4 Ų48.43%0.02627%0.272CS..  trans-72.5151-178.130.8-30000110.5P190 H195 P200 D218P176-P190 HydrophobicContact CG-CB 4.27Å; P176-H195 WeakPolarHBondContact CG-O 3.36Å; P176-P200 WeakPolarHBondContact O-CB 3.39Å; P176-P200 WeakPolarHBondContact O-CG 3.48Å; P176-D218 WeakPolarHBondContact CA-OD2 3.48Å
177G95.9Very high93.1Very high9 Ų951.6 Ų51.69%0.09327%0.266CS..  trans-78.7175164.100000111.7L181 D218 G220G177-L181 VanDerWaalsContact O-CD2 3.28Å; G177-L181 WeakPolarHBondContact O-CD2 3.11Å; G177-D218 PolarHBondContact N-OD2 2.95Å; G177-G220 WeakPolarHBondContact CA-O 3.29Å
178D93.8Very high93.2Very high63 Ų6349.7 Ų49.734%0.33726%0.26SS..SBendtrans-115.6-4.3172.368.3-34.8000113.2P200 G220 L221 S222 V225D178-P200 HydrophobicContact CB-CG 3.89Å; D178-G220 PolarHBondContact N-O 3.09Å; D178-L221 WeakPolarHBondContact OD1-CA 3.43Å; D178-S222 PolarHBondContact OD1-N 3.08Å; D178-S222 WeakPolarHBondContact OD2-CB 3.17Å; D178-S222 PolarHBondContact OD2-OG 2.95Å; D178-V225 WeakPolarHBondContact OD2-CG2 3.5Å
179E92Very high93.5Very high91 Ų9147.3 Ų47.343%0.42524%0.235SC..BIsolated β-bridgetrans-132.3156.9172.5-76-170.4-173.200111.1L181 G220 S222E179-L181 VanDerWaalsContact C-N 3.27Å; E179-L181 PolarHBondContact O-N 2.91Å; E179-G220 PolarHBondContact N-O 3.11Å; E179-G220 CarbonylContact O-C 3.51Å; E179-G220 WeakPolarHBondContact O-CA 3.46Å; E179-G220 PolarHBondContact O-N 3.24Å; E179-S222 VanDerWaalsContact CD-CA 3.41Å; E179-S222 VanDerWaalsContact OE1-CA 3.26Å; E179-S222 WeakPolarHBondContact OE1-CA 3.45Å; E179-S222 WeakPolarHBondContact OE1-CB 3.32Å
180K89.4Confident93.7Very high127 Ų12747 Ų4755%0.55223%0.234SC*.SBendtrans46.150.5178.9-60.6-177.6178.6-179.40112.7S219K180-S219 PolarHBondContact O-N 3.03Å
181L92.8Very high93.8Very high55 Ų5544.8 Ų44.829%0.28822%0.22SC..PPolyproline II helixtrans-57.2141.4178.4-56.9-175.8000110.1G177 E179 G183 Y186 D218G177-L181 VanDerWaalsContact O-CD2 3.28Å; G177-L181 WeakPolarHBondContact O-CD2 3.11Å; E179-L181 VanDerWaalsContact C-N 3.27Å; E179-L181 PolarHBondContact O-N 2.91Å; L181-G183 PolarHBondContact O-N 3.42Å; L181-Y186 HydrophobicContact CB-CD1 4.43Å; L181-Y186 VanDerWaalsContact CD1-O 3.27Å; L181-Y186 WeakPolarHBondContact CD1-O 3.37Å; L181-Y186 WeakPolarHBondContact O-CD1 3.45Å; L181-D218 WeakPolarHBondContact CA-OD1 3.07Å; L181-D218 HydrophobicContact CD2-CB 4.17Å
182R88.8Confident93.9Very high57 Ų5744.9 Ų44.922%0.21522%0.221CC..PPolyproline II helixtrans-73.2133.3-177.1-159.7-175.9-177.7-178.9-3.8110.6F7 Y144 Y186 L189 D218F7-R182 VanDerWaalsContact CD1-NH1 3.31Å; F7-R182 HydrophobicContact CD2-CG 4.29Å; F7-R182 HydrophobicContact CE2-CB 4.45Å; F7-R182 HydrophobicContact CE2-CG 4.15Å; Y144-R182 PolarHBondContact OH-NH1 3.42Å; R182-Y186 PolarHBondContact O-N 3.27Å; R182-L189 HydrophobicContact CB-CD1 3.64Å; R182-L189 HydrophobicContact CB-CG 4.17Å; R182-L189 HydrophobicContact CG-CD1 4.29Å; R182-D218 PolarHBondContact N-OD1 3.43Å
183G84.2Confident93.9Very high27 Ų2747.3 Ų47.328%0.27823%0.232SC..THydrogen-bonded Turntrans-65.4170.2167.600000112.3L181L181-G183 PolarHBondContact O-N 3.42Å
184P85.4Confident93.8Very high114 Ų11451.5 Ų51.574%0.7425%0.251SS*.THydrogen-bonded Turncis-84.2-12.72.132.3-34.6000114Y186P184-Y186 WeakPolarHBondContact O-CD2 3.3Å; P184-Y186 WeakPolarHBondContact O-CE2 3.26Å
185L88.9Confident93.7Very high84 Ų8451.4 Ų51.444%0.4425%0.251SS..THydrogen-bonded Turntrans-92.5-25.8-172.2-63.4178.5000113.8P146 R147 R187P146-L185 WeakPolarHBondContact O-CD1 3.25Å; R147-L185 HydrophobicContact CB-CD1 4.15Å; R147-L185 HydrophobicContact CG-CD1 4.48Å; L185-R187 HydrophobicContact CB-CG 4.05Å; L185-R187 VanDerWaalsContact O-CG 3.32Å; L185-R187 WeakPolarHBondContact O-CG 3.44Å; L185-R187 PolarHBondContact O-N 3.43Å
186Y92.3Very high93.6Very high151 Ų15153.7 Ų53.759%0.59226%0.26SS*.  trans55.337.1-178.7-50.7-82.3000113L181 R182 P184L181-Y186 HydrophobicContact CB-CD1 4.43Å; L181-Y186 VanDerWaalsContact CD1-O 3.27Å; L181-Y186 WeakPolarHBondContact CD1-O 3.37Å; L181-Y186 WeakPolarHBondContact O-CD1 3.45Å; R182-Y186 PolarHBondContact O-N 3.27Å; P184-Y186 WeakPolarHBondContact O-CD2 3.3Å; P184-Y186 WeakPolarHBondContact O-CE2 3.26Å
187R94.5Very high93.2Very high151 Ų15156.5 Ų56.557%0.5729%0.29SS*.SBendtrans-110.621.2-178.9-53.6-60.8-92.6-164.2-7.4113.3P148 L185 R196P148-R187 HydrophobicContact CG-CB 3.83Å; P148-R187 HydrophobicContact CG-CG 3.73Å; L185-R187 HydrophobicContact CB-CG 4.05Å; L185-R187 VanDerWaalsContact O-CG 3.32Å; L185-R187 WeakPolarHBondContact O-CG 3.44Å; L185-R187 PolarHBondContact O-N 3.43Å; R187-R196 PolarHBondContact O-NH1 3.48Å
188G95.1Very high93Very high5 Ų559.9 Ų59.95%0.05230%0.304CS..  trans70.4161.3-17600000113.6P190 R196 D218G188-P190 WeakPolarHBondContact O-CD 3.27Å; G188-R196 PolarHBondContact O-NH1 3.01Å; G188-D218 WeakPolarHBondContact CA-OD2 3.24Å
189L97.1Very high92.9Very high2 Ų260.5 Ų60.51%0.0131%0.305CS..  trans-115.266.8-178-64.1-173000112.7F7 Y144 P146 R182 G217 D218F7-L189 HydrophobicContact CZ-CD1 4.09Å; Y144-L189 WeakPolarHBondContact CB-O 3.37Å; Y144-L189 HydrophobicContact CD2-CB 4.18Å; Y144-L189 HydrophobicContact CD2-CD1 4.01Å; Y144-L189 HydrophobicContact CD2-CD2 3.83Å; Y144-L189 HydrophobicContact CD2-CG 4.23Å; Y144-L189 HydrophobicContact CE2-CD1 4.12Å; Y144-L189 HydrophobicContact CE2-CD2 4.34Å; Y144-L189 HydrophobicContact CG-CB 4.01Å; Y144-L189 HydrophobicContact CG-CD1 4.3Å; P146-L189 HydrophobicContact CB-CD2 3.74Å; P146-L189 HydrophobicContact CG-CD2 3.63Å; R182-L189 HydrophobicContact CB-CD1 3.64Å; R182-L189 HydrophobicContact CB-CG 4.17Å; R182-L189 HydrophobicContact CG-CD1 4.29Å; L189-G217 VanDerWaalsContact CD1-O 3.32Å; L189-G217 WeakPolarHBondContact CD1-O 3.25Å; L189-D218 PolarHBondContact N-OD2 3.15Å
190P97.7Very high93.1Very high0 Ų056.4 Ų56.40%029%0.286CS..  trans-81.9157.1176.536.1-36.7000112.4Y144 Y145 A151 P176 G188 L192 H195 R196Y144-P190 WeakPolarHBondContact CA-O 3.46Å; Y145-P190 PolarHBondContact N-O 3.45Å; A151-P190 HydrophobicContact CB-CG 4.35Å; P176-P190 HydrophobicContact CG-CB 4.27Å; G188-P190 WeakPolarHBondContact O-CD 3.27Å; P190-L192 WeakPolarHBondContact CB-O 3.37Å; P190-H195 HydrophobicContact CB-CB 4.1Å; P190-R196 HydrophobicContact CG-CB 4.25Å
191T98.1Very high93.3Very high0 Ų050.9 Ų50.90%026%0.262CS..SBendtrans-83.3-39.8163.3-72.10000112.4H142 N143 A151 L152 Y157 F174H142-T191 HydrophobicContact CB-CG2 3.6Å; N143-T191 PolarHBondContact O-OG1 3.1Å; A151-T191 WeakPolarHBondContact CB-O 3.36Å; L152-T191 WeakPolarHBondContact CB-O 3.42Å; L152-T191 HydrophobicContact CD1-CG2 3.97Å; L152-T191 PolarHBondContact N-O 2.85Å; Y157-T191 HydrophobicContact CD2-CG2 4.1Å; Y157-T191 HydrophobicContact CE2-CG2 3.68Å; F174-T191 PolarHBondContact N-OG1 3.33Å; F174-T191 WeakPolarHBondContact O-CB 3.32Å; F174-T191 PolarHBondContact O-N 3.16Å; F174-T191 PolarHBondContact O-OG1 2.89Å
192L97.7Very high93.3Very high2 Ų250.4 Ų50.41%0.0127%0.266CS..BIsolated β-bridgetrans-101137.2176.8-67.4-178.1000111.4L152 K154 Y157 P190 E194 H195 L207L152-L192 HydrophobicContact CB-CD2 4.13Å; K154-L192 HydrophobicContact CG-CD1 4.41Å; Y157-L192 HydrophobicContact CD1-CD1 4.3Å; Y157-L192 HydrophobicContact CD1-CD2 4.07Å; Y157-L192 HydrophobicContact CD2-CD2 3.94Å; Y157-L192 HydrophobicContact CE1-CD1 4.47Å; Y157-L192 HydrophobicContact CG-CD2 3.63Å; Y157-L192 HydrophobicContact CG-CG 4.46Å; P190-L192 WeakPolarHBondContact CB-O 3.37Å; L192-E194 VanDerWaalsContact C-N 3.29Å; L192-E194 HydrophobicContact CB-CG 4.06Å; L192-E194 PolarHBondContact O-N 2.89Å; L192-H195 WeakPolarHBondContact O-CB 3.4Å; L192-H195 PolarHBondContact O-N 2.98Å; L192-H195 VanDerWaalsContact O-N 3.09Å; L192-L207 HydrophobicContact CD1-CD1 3.83Å; L192-L207 HydrophobicContact CG-CD1 4.01Å
193E97.8Very high93.7Very high51 Ų5147.7 Ų47.724%0.23826%0.256CS..G310 helixtrans-67.1-33.3-176.6-168.359.2-149.400112.2E149 T150 A151 L152 H195 R196E149-E193 VanDerWaalsContact CA-CD 3.49Å; E149-E193 WeakPolarHBondContact CA-OE1 3.49Å; E149-E193 PolarHBondContact N-OE1 3.45Å; E149-E193 PolarHBondContact N-OE2 3.36Å; T150-E193 PolarHBondContact N-OE2 2.97Å; A151-E193 HydrophobicContact CB-CB 3.87Å; A151-E193 WeakPolarHBondContact CB-OE2 3.39Å; A151-E193 PolarHBondContact N-OE2 3.44Å; L152-E193 PolarHBondContact O-N 3.08Å; L152-E193 VanDerWaalsContact O-N 3.1Å; E193-H195 PolarHBondContact O-N 3.11Å; E193-R196 VanDerWaalsContact O-CB 3.24Å; E193-R196 WeakPolarHBondContact O-CB 3.37Å; E193-R196 PolarHBondContact O-N 3.02Å; E193-R196 WeakPolarHBondContact OE1-CD 3.36Å; E193-R196 IonicContact OE1-CZ 3.8Å; E193-R196 IonicContact OE1-NE 2.67Å; E193-R196 PolarHBondContact OE1-NE 3.13Å; E193-R196 IonicContact OE1-NH2 3.93Å; E193-R196 IonicContact OE2-CZ 2.82Å; E193-R196 IonicContact OE2-NE 2.75Å; E193-R196 PolarHBondContact OE2-NE 2.64Å; E193-R196 IonicContact OE2-NH2 2.92Å; E193-R196 PolarHBondContact OE2-NH2 3.2Å
194E95.3Very high94.3Very high87 Ų8746.4 Ų46.441%0.40724%0.243SC..G310 helixtrans-64.5-16.6174.958.7167.6-148.400114.3K154 L192 R196 D206K154-E194 VanDerWaalsContact CD-OE1 3.31Å; K154-E194 WeakPolarHBondContact CD-OE1 3.48Å; K154-E194 WeakPolarHBondContact CE-OE1 3.11Å; K154-E194 IonicContact NZ-OE1 3.59Å; K154-E194 PolarHBondContact NZ-OE1 3.21Å; K154-E194 IonicContact NZ-OE2 2.86Å; L192-E194 VanDerWaalsContact C-N 3.29Å; L192-E194 HydrophobicContact CB-CG 4.06Å; L192-E194 PolarHBondContact O-N 2.89Å; E194-R196 VanDerWaalsContact C-N 3.32Å; E194-D206 VanDerWaalsContact OE1-OD2 3.11Å
195H96.6Very high94.7Very high0 Ų042.6 Ų42.60%022%0.216CC..G310 helixtrans-84.2-9175.2-67176.8000112.6P176 P190 L192 E193 G197 M198 A203 D206P176-H195 WeakPolarHBondContact CG-O 3.36Å; P190-H195 HydrophobicContact CB-CB 4.1Å; L192-H195 WeakPolarHBondContact O-CB 3.4Å; L192-H195 PolarHBondContact O-N 2.98Å; L192-H195 VanDerWaalsContact O-N 3.09Å; E193-H195 PolarHBondContact O-N 3.11Å; H195-G197 PolarHBondContact O-N 3.41Å; H195-M198 VanDerWaalsContact O-CB 3.3Å; H195-M198 WeakPolarHBondContact O-CB 3.44Å; H195-M198 PolarHBondContact O-N 3.15Å; H195-A203 HydrophobicContact CB-CB 3.86Å; H195-A203 PolarHBondContact CE1-O 3.41Å; H195-A203 VanDerWaalsContact CE1-O 3.28Å; H195-D206 IonicContact CD2-OD2 3.5Å; H195-D206 IonicContact CE1-OD2 2.69Å; H195-D206 IonicContact NE2-OD2 3.24Å; H195-D206 PolarHBondContact NE2-OD2 3.25Å
196R94.9Very high94.9Very high47 Ų4740.8 Ų40.818%0.17721%0.207CC..THydrogen-bonded Turntrans-64.9119.8179.1-165.1174.4-56.7-79.10.1110.5Y145 R147 R187 G188 P190 E193 E194 M198Y145-R196 PolarHBondContact O-NH1 3.06Å; Y145-R196 PolarHBondContact O-NH2 3.12Å; R147-R196 PolarHBondContact O-NH2 2.74Å; R187-R196 PolarHBondContact O-NH1 3.48Å; G188-R196 PolarHBondContact O-NH1 3.01Å; P190-R196 HydrophobicContact CG-CB 4.25Å; E193-R196 VanDerWaalsContact O-CB 3.24Å; E193-R196 WeakPolarHBondContact O-CB 3.37Å; E193-R196 PolarHBondContact O-N 3.02Å; E193-R196 WeakPolarHBondContact OE1-CD 3.36Å; E193-R196 IonicContact OE1-CZ 3.8Å; E193-R196 IonicContact OE1-NE 2.67Å; E193-R196 PolarHBondContact OE1-NE 3.13Å; E193-R196 IonicContact OE1-NH2 3.93Å; E193-R196 IonicContact OE2-CZ 2.82Å; E193-R196 IonicContact OE2-NE 2.75Å; E193-R196 PolarHBondContact OE2-NE 2.64Å; E193-R196 IonicContact OE2-NH2 2.92Å; E193-R196 PolarHBondContact OE2-NH2 3.2Å; E194-R196 VanDerWaalsContact C-N 3.32Å; R196-M198 PolarHBondContact O-N 3.24Å
197G89.6Confident95Very high64 Ų6433.7 Ų33.766%0.6618%0.179SC*.THydrogen-bonded Turntrans73.72-175.100000114.4H195H195-G197 PolarHBondContact O-N 3.41Å
198M91.7Very high95Very high79 Ų7928.4 Ų28.439%0.38917%0.165SC..SBendtrans-73.2149.6171-173.6175.6-78.900109.9H195 R196 A202 A203H195-M198 VanDerWaalsContact O-CB 3.3Å; H195-M198 WeakPolarHBondContact O-CB 3.44Å; H195-M198 PolarHBondContact O-N 3.15Å; R196-M198 PolarHBondContact O-N 3.24Å; M198-A202 HydrophobicContact CG-CB 4.2Å; M198-A202 HydrophobicContact SD-CB 4.22Å; M198-A203 HydrophobicContact CB-CB 4.39Å; M198-A203 HydrophobicContact CG-CB 4.3Å; M198-A203 HydrophobicContact SD-CB 4.12Å
199H92Very high94.6Very high77 Ų7733.8 Ų33.836%0.35619%0.193SC..  trans-55127.3173.2-175.7-70.3000110.9L201 A202 A203 Q228H199-L201 PolarHBondContact ND1-N 3.45Å; H199-L201 PolarHBondContact O-N 2.93Å; H199-A202 HydrophobicContact CB-CB 4.11Å; H199-A202 WeakPolarHBondContact O-CA 3.44Å; H199-A202 WeakPolarHBondContact O-CB 3.49Å; H199-A202 PolarHBondContact O-N 3.5Å; H199-A203 PolarHBondContact O-N 2.94Å; H199-Q228 PolarHBondContact CE1-OE1 3.05Å; H199-Q228 PolarHBondContact NE2-OE1 3.42Å
200P95.5Very high94.2Very high4 Ų435.2 Ų35.23%0.02620%0.199CC..Hα-helixtrans-55.9-43.7-169.5-29.334.9000114.6P176 D178 A202 A203 A204 L221 V225 F229P176-P200 WeakPolarHBondContact O-CB 3.39Å; P176-P200 WeakPolarHBondContact O-CG 3.48Å; D178-P200 HydrophobicContact CB-CG 3.89Å; P200-A202 VanDerWaalsContact C-N 3.34Å; P200-A202 PolarHBondContact O-N 3.08Å; P200-A203 PolarHBondContact O-N 3.32Å; P200-A204 VanDerWaalsContact O-CB 3.3Å; P200-A204 WeakPolarHBondContact O-CB 3.2Å; P200-A204 PolarHBondContact O-N 3.47Å; P200-L221 HydrophobicContact CB-CD2 3.81Å; P200-L221 HydrophobicContact CG-CD2 3.96Å; P200-V225 HydrophobicContact CB-CG1 3.93Å; P200-V225 HydrophobicContact CG-CG1 4.11Å; P200-F229 HydrophobicContact CB-CE2 4.13Å
201L94.6Very high94Very high12 Ų1235.7 Ų35.76%0.06320%0.202CC..Hα-helixtrans-63.5-37.2175-179.960.8000112.8H199 A204 L205 Q228 F229 Y232 L238H199-L201 PolarHBondContact ND1-N 3.45Å; H199-L201 PolarHBondContact O-N 2.93Å; L201-A204 PolarHBondContact O-N 3.4Å; L201-L205 HydrophobicContact CD1-CD1 4.14Å; L201-L205 HydrophobicContact CD1-CD2 4.39Å; L201-L205 HydrophobicContact CD1-CG 4.07Å; L201-L205 HydrophobicContact CG-CD1 4.03Å; L201-L205 HydrophobicContact CG-CG 4.4Å; L201-L205 WeakPolarHBondContact O-CG 3.48Å; L201-L205 PolarHBondContact O-N 3.44Å; L201-Q228 HydrophobicContact CD2-CB 3.74Å; L201-F229 VanDerWaalsContact CA-CZ 3.49Å; L201-F229 HydrophobicContact CB-CD2 4.18Å; L201-F229 HydrophobicContact CB-CE2 3.83Å; L201-F229 HydrophobicContact CB-CZ 4.02Å; L201-F229 HydrophobicContact CD1-CD1 3.68Å; L201-F229 HydrophobicContact CD1-CD2 4.37Å; L201-F229 HydrophobicContact CD1-CE1 3.68Å; L201-F229 HydrophobicContact CD1-CE2 4.38Å; L201-F229 HydrophobicContact CD1-CG 4.04Å; L201-F229 HydrophobicContact CD1-CZ 4.05Å; L201-Y232 HydrophobicContact CD1-CD1 4.4Å; L201-Y232 HydrophobicContact CD1-CG 4.45Å; L201-L238 HydrophobicContact CD2-CD2 4.25Å
202A92.6Very high93.9Very high44 Ų4439.2 Ų39.236%0.36422%0.221SC..Hα-helixtrans-68.1-44.4179.200000110.9M198 H199 P200 A204 L205 D206M198-A202 HydrophobicContact CG-CB 4.2Å; M198-A202 HydrophobicContact SD-CB 4.22Å; H199-A202 HydrophobicContact CB-CB 4.11Å; H199-A202 WeakPolarHBondContact O-CA 3.44Å; H199-A202 WeakPolarHBondContact O-CB 3.49Å; H199-A202 PolarHBondContact O-N 3.5Å; P200-A202 VanDerWaalsContact C-N 3.34Å; P200-A202 PolarHBondContact O-N 3.08Å; A202-A204 VanDerWaalsContact C-N 3.3Å; A202-A204 PolarHBondContact O-N 3.31Å; A202-L205 PolarHBondContact O-N 3.01Å; A202-D206 PolarHBondContact O-N 3.24Å
203A95.8Very high93.9Very high0 Ų040 Ų400%023%0.225CC..Hα-helixtrans-58.6-43.3172.400000111V175 H195 M198 H199 P200 L205 D206 L207V175-A203 HydrophobicContact CB-CB 4Å; V175-A203 HydrophobicContact CG1-CB 3.83Å; H195-A203 HydrophobicContact CB-CB 3.86Å; H195-A203 PolarHBondContact CE1-O 3.41Å; H195-A203 VanDerWaalsContact CE1-O 3.28Å; M198-A203 HydrophobicContact CB-CB 4.39Å; M198-A203 HydrophobicContact CG-CB 4.3Å; M198-A203 HydrophobicContact SD-CB 4.12Å; H199-A203 PolarHBondContact O-N 2.94Å; P200-A203 PolarHBondContact O-N 3.32Å; A203-L205 PolarHBondContact O-N 3.17Å; A203-D206 PolarHBondContact O-N 2.92Å; A203-L207 WeakPolarHBondContact O-CB 3.48Å; A203-L207 PolarHBondContact O-N 3.03Å
204A96.8Very high93.9Very high0 Ų037.7 Ų37.70%021%0.214CC..Hα-helixtrans-63.3-41.3-179.100000112.6F2 V175 P200 L201 A202 L207 S208 V214 F229F2-A204 HydrophobicContact CE1-CB 3.93Å; V175-A204 HydrophobicContact CG1-CB 4.44Å; V175-A204 HydrophobicContact CG2-CB 4.18Å; P200-A204 VanDerWaalsContact O-CB 3.3Å; P200-A204 WeakPolarHBondContact O-CB 3.2Å; P200-A204 PolarHBondContact O-N 3.47Å; L201-A204 PolarHBondContact O-N 3.4Å; A202-A204 VanDerWaalsContact C-N 3.3Å; A202-A204 PolarHBondContact O-N 3.31Å; A204-L207 PolarHBondContact O-N 3.23Å; A204-S208 VanDerWaalsContact O-CB 3.29Å; A204-S208 WeakPolarHBondContact O-CB 3.48Å; A204-S208 PolarHBondContact O-N 3.27Å; A204-S208 PolarHBondContact O-OG 3.29Å; A204-V214 HydrophobicContact CB-CG1 3.89Å; A204-F229 HydrophobicContact CB-CE1 3.7Å; A204-F229 HydrophobicContact CB-CZ 3.72Å
205L94Very high94Very high35 Ų3533.5 Ų33.518%0.18319%0.194CC..Hα-helixtrans-69.3-40177.6-65.4170.2000112L201 A202 A203 L207 S208 N209 Y232 L238L201-L205 HydrophobicContact CD1-CD1 4.14Å; L201-L205 HydrophobicContact CD1-CD2 4.39Å; L201-L205 HydrophobicContact CD1-CG 4.07Å; L201-L205 HydrophobicContact CG-CD1 4.03Å; L201-L205 HydrophobicContact CG-CG 4.4Å; L201-L205 WeakPolarHBondContact O-CG 3.48Å; L201-L205 PolarHBondContact O-N 3.44Å; A202-L205 PolarHBondContact O-N 3.01Å; A203-L205 PolarHBondContact O-N 3.17Å; L205-L207 VanDerWaalsContact C-N 3.35Å; L205-S208 PolarHBondContact O-N 3.09Å; L205-N209 PolarHBondContact O-ND2 3.25Å; L205-Y232 HydrophobicContact CD2-CD1 3.96Å; L205-Y232 HydrophobicContact CD2-CD2 4.24Å; L205-Y232 HydrophobicContact CD2-CE1 3.34Å; L205-Y232 HydrophobicContact CD2-CE2 3.67Å; L205-Y232 HydrophobicContact CD2-CG 4.37Å; L205-Y232 WeakPolarHBondContact CD2-OH 3.29Å; L205-L238 HydrophobicContact CD1-CD1 4.31Å; L205-L238 HydrophobicContact CD1-CD2 3.61Å
206D94.2Very high94.1Very high46 Ų4633.6 Ų33.625%0.24620%0.195CC..Hα-helixtrans-62.2-43.9174.6-175.255.7000111.1K154 E194 H195 A202 A203 N209K154-D206 VanDerWaalsContact NZ-CG 3.29Å; K154-D206 IonicContact NZ-OD1 3.14Å; K154-D206 PolarHBondContact NZ-OD1 3.35Å; K154-D206 IonicContact NZ-OD2 3.42Å; K154-D206 PolarHBondContact NZ-OD2 3.44Å; E194-D206 VanDerWaalsContact OE1-OD2 3.11Å; H195-D206 IonicContact CD2-OD2 3.5Å; H195-D206 IonicContact CE1-OD2 2.69Å; H195-D206 IonicContact NE2-OD2 3.24Å; H195-D206 PolarHBondContact NE2-OD2 3.25Å; A202-D206 PolarHBondContact O-N 3.24Å; A203-D206 PolarHBondContact O-N 2.92Å; D206-N209 WeakPolarHBondContact O-CB 3.38Å; D206-N209 PolarHBondContact O-N 3.03Å; D206-N209 PolarHBondContact O-ND2 2.82Å; D206-N209 VanDerWaalsContact O-ND2 3.14Å
207L94.5Very high94.1Very high1 Ų131.3 Ų31.31%0.00519%0.186CC..Hα-helixtrans-67.4-36.4177.2-153.869.9000113Y157 V175 L192 A203 A204 L205 N209 E210 T211 V214Y157-L207 HydrophobicContact CE1-CD1 3.8Å; Y157-L207 HydrophobicContact CE2-CD1 4.28Å; Y157-L207 VanDerWaalsContact CZ-CD1 3.49Å; Y157-L207 WeakPolarHBondContact OH-CD1 3.32Å; Y157-L207 WeakPolarHBondContact OH-CG 3.21Å; V175-L207 HydrophobicContact CG1-CB 4.29Å; V175-L207 HydrophobicContact CG1-CD2 3.81Å; L192-L207 HydrophobicContact CD1-CD1 3.83Å; L192-L207 HydrophobicContact CG-CD1 4.01Å; A203-L207 WeakPolarHBondContact O-CB 3.48Å; A203-L207 PolarHBondContact O-N 3.03Å; A204-L207 PolarHBondContact O-N 3.23Å; L205-L207 VanDerWaalsContact C-N 3.35Å; L207-N209 PolarHBondContact O-N 3Å; L207-E210 PolarHBondContact O-N 3.44Å; L207-E210 VanDerWaalsContact O-N 3.12Å; L207-T211 PolarHBondContact O-N 3.24Å; L207-T211 PolarHBondContact O-OG1 3.1Å; L207-V214 HydrophobicContact CB-CG2 4.14Å; L207-V214 HydrophobicContact CD2-CG1 4.14Å; L207-V214 HydrophobicContact CD2-CG2 4.2Å; L207-V214 HydrophobicContact CG-CG2 4.39Å
208S93.2Very high94.3Very high40 Ų4028.3 Ų28.328%0.2816%0.155SC..Hα-helixtrans-65.7-15.7-179.2-62.30000113.3A204 L205 E210 V214A204-S208 VanDerWaalsContact O-CB 3.29Å; A204-S208 WeakPolarHBondContact O-CB 3.48Å; A204-S208 PolarHBondContact O-N 3.27Å; A204-S208 PolarHBondContact O-OG 3.29Å; L205-S208 PolarHBondContact O-N 3.09Å; S208-E210 PolarHBondContact O-N 3.17Å; S208-V214 WeakPolarHBondContact OG-CG2 3.24Å
209N87.9Confident94.2Very high119 Ų11926.2 Ų26.264%0.63615%0.148SC*.THydrogen-bonded Turntrans-63.1-26.9173.1-66.5-42.2000112.1L205 D206 L207L205-N209 PolarHBondContact O-ND2 3.25Å; D206-N209 WeakPolarHBondContact O-CB 3.38Å; D206-N209 PolarHBondContact O-N 3.03Å; D206-N209 PolarHBondContact O-ND2 2.82Å; D206-N209 VanDerWaalsContact O-ND2 3.14Å; L207-N209 PolarHBondContact O-N 3Å
210E87.7Confident94.1Very high31 Ų3122.6 Ų22.615%0.14513%0.132CC..THydrogen-bonded Turntrans-125.8-3.5-171.3-60.1-159.1-145.900114.3Y157 H158 K165 L207 S208Y157-E210 HydrophobicContact CE1-CB 4.23Å; H158-E210 VanDerWaalsContact CA-OE2 3.29Å; H158-E210 WeakPolarHBondContact CA-OE2 3.48Å; H158-E210 IonicContact CE1-OE1 3.84Å; H158-E210 IonicContact CE1-OE2 3.79Å; H158-E210 IonicContact CG-OE1 3.74Å; H158-E210 IonicContact CG-OE2 3.55Å; H158-E210 IonicContact ND1-OE1 2.85Å; H158-E210 PolarHBondContact ND1-OE1 2.94Å; H158-E210 IonicContact ND1-OE2 2.83Å; H158-E210 PolarHBondContact ND1-OE2 3.4Å; K165-E210 WeakPolarHBondContact CE-O 3.45Å; K165-E210 PolarHBondContact NZ-O 2.9Å; L207-E210 PolarHBondContact O-N 3.44Å; L207-E210 VanDerWaalsContact O-N 3.12Å; S208-E210 PolarHBondContact O-N 3.17Å
211T93.3Very high94Very high10 Ų1022.8 Ų22.86%0.06113%0.133CC..  trans-127.5153179.250.70000112.5Y157 I171 L207 V214Y157-T211 WeakPolarHBondContact OH-CG2 3.33Å; I171-T211 HydrophobicContact CB-CG2 4.28Å; I171-T211 HydrophobicContact CG2-CG2 3.79Å; L207-T211 PolarHBondContact O-N 3.24Å; L207-T211 PolarHBondContact O-OG1 3.1Å; T211-V214 WeakPolarHBondContact OG1-CG2 3.44Å
212D95.8Very high93.9Very high75 Ų7522.7 Ų22.740%0.40113%0.133SC..SBendtrans-87-31178.6-51.5-70000110.9M1 T170 I171M1-D212 PolarHBondContact N-O 3.45Å; T170-D212 HydrophobicContact CG2-CB 3.83Å; I171-D212 PolarHBondContact N-OD2 3.47Å; I171-D212 PolarHBondContact O-N 2.9Å
213K97.4Very high93.8Very high18 Ų1827.2 Ų27.28%0.07814%0.144CC..EExtended strand (participates in β ladder)trans-126.9132.4-179.3-55.4-169.5174.9-176.50111.3M1 E62 E139 T170 I171 Q172 G173 Y215M1-K213 HydrophobicContact CB-CG 4.12Å; M1-K213 WeakPolarHBondContact O-CA 3.31Å; M1-K213 HydrophobicContact SD-CD 3.76Å; M1-K213 HydrophobicContact SD-CG 4Å; E62-K213 IonicContact OE1-NZ 3.66Å; E62-K213 IonicContact OE2-NZ 2.69Å; E62-K213 PolarHBondContact OE2-NZ 3.03Å; E139-K213 WeakPolarHBondContact OE1-CE 3.1Å; E139-K213 IonicContact OE1-NZ 2.72Å; E139-K213 PolarHBondContact OE1-NZ 2.87Å; E139-K213 IonicContact OE2-NZ 3.22Å; E139-K213 PolarHBondContact OE2-NZ 2.96Å; T170-K213 HydrophobicContact CG2-CD 4.34Å; T170-K213 HydrophobicContact CG2-CG 4.25Å; I171-K213 PolarHBondContact O-N 3.22Å; I171-K213 VanDerWaalsContact O-N 3.08Å; Q172-K213 VanDerWaalsContact CA-O 3.25Å; Q172-K213 WeakPolarHBondContact CA-O 3.44Å; Q172-K213 HydrophobicContact CB-CB 3.92Å; Q172-K213 HydrophobicContact CG-CB 3.8Å; G173-K213 PolarHBondContact N-O 3.42Å; G173-K213 VanDerWaalsContact N-O 3.08Å; K213-Y215 HydrophobicContact CB-CD2 4.42Å; K213-Y215 HydrophobicContact CB-CE2 4.04Å; K213-Y215 HydrophobicContact CD-CE2 4.47Å
214V97.8Very high93.5Very high2 Ų229.9 Ų29.91%0.01216%0.157CC..EExtended strand (participates in β ladder)trans-125.2124.9175.9176.90000109.7M1 F2 G3 G173 V175 A204 L207 S208 T211M1-V214 PolarHBondContact O-N 2.91Å; F2-V214 CarbonylContact C-O 3.53Å; F2-V214 VanDerWaalsContact CA-O 3.29Å; F2-V214 WeakPolarHBondContact CA-O 3.37Å; F2-V214 HydrophobicContact CD1-CB 3.96Å; F2-V214 HydrophobicContact CD1-CG1 4.36Å; F2-V214 HydrophobicContact CE1-CB 4.1Å; F2-V214 HydrophobicContact CE1-CG1 4.45Å; G3-V214 PolarHBondContact N-O 3.43Å; G173-V214 WeakPolarHBondContact O-CA 3.46Å; V175-V214 HydrophobicContact CG1-CG1 3.91Å; V175-V214 HydrophobicContact CG2-CG1 4.02Å; A204-V214 HydrophobicContact CB-CG1 3.89Å; L207-V214 HydrophobicContact CB-CG2 4.14Å; L207-V214 HydrophobicContact CD2-CG1 4.14Å; L207-V214 HydrophobicContact CD2-CG2 4.2Å; L207-V214 HydrophobicContact CG-CG2 4.39Å; S208-V214 WeakPolarHBondContact OG-CG2 3.24Å; T211-V214 WeakPolarHBondContact OG1-CG2 3.44Å
215Y98.1Very high93.3Very high0 Ų030 Ų300%016%0.158CC..EExtended strand (participates in β ladder)trans-115143.1-178.7-78.7-119.9000111.9G3 G30 F32 W141 Q172 G173 F174 V175 K213 G217G3-Y215 CarbonylContact O-C 3.56Å; G3-Y215 VanDerWaalsContact O-CA 3.3Å; G3-Y215 WeakPolarHBondContact O-CA 3.29Å; G30-Y215 WeakPolarHBondContact CA-OH 3.35Å; F32-Y215 HydrophobicContact CB-CD1 3.64Å; F32-Y215 HydrophobicContact CB-CE1 3.91Å; W141-Y215 HydrophobicContact CH2-CD1 4.32Å; W141-Y215 HydrophobicContact CH2-CD2 4.16Å; W141-Y215 AromaticContact CH2-CE1 3.89Å; W141-Y215 HydrophobicContact CH2-CE1 3.89Å; W141-Y215 AromaticContact CH2-CE2 3.73Å; W141-Y215 HydrophobicContact CH2-CE2 3.73Å; W141-Y215 HydrophobicContact CH2-CG 4.46Å; W141-Y215 AromaticContact CH2-CZ 3.58Å; W141-Y215 HydrophobicContact CZ2-CE2 4.29Å; W141-Y215 HydrophobicContact CZ3-CD1 4.42Å; W141-Y215 HydrophobicContact CZ3-CD2 4.4Å; W141-Y215 HydrophobicContact CZ3-CE1 4.42Å; W141-Y215 HydrophobicContact CZ3-CE2 4.4Å; W141-Y215 HydrophobicContact CZ3-CG 4.42Å; Q172-Y215 HydrophobicContact CG-CD2 3.8Å; Q172-Y215 HydrophobicContact CG-CE2 4.15Å; G173-Y215 PolarHBondContact O-N 3.31Å; F174-Y215 CarbonylContact C-O 3.54Å; F174-Y215 VanDerWaalsContact CA-O 3.26Å; F174-Y215 WeakPolarHBondContact CA-O 3.43Å; V175-Y215 PolarHBondContact N-O 2.95Å; K213-Y215 HydrophobicContact CB-CD2 4.42Å; K213-Y215 HydrophobicContact CB-CE2 4.04Å; K213-Y215 HydrophobicContact CD-CE2 4.47Å; Y215-G217 PolarHBondContact O-N 3.47Å
216I97.9Very high93.3Very high1 Ų128.5 Ų28.51%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-72118.4165.3-47.4-54000108G3 F4 S5 M23 F28 V175 L221 F229G3-I216 PolarHBondContact O-N 3.4Å; F4-I216 HydrophobicContact CB-CB 4.19Å; F4-I216 HydrophobicContact CB-CG1 4.38Å; S5-I216 WeakPolarHBondContact CB-O 3.19Å; S5-I216 PolarHBondContact N-O 3.02Å; S5-I216 PolarHBondContact OG-O 2.68Å; M23-I216 HydrophobicContact CE-CG1 4.44Å; F28-I216 HydrophobicContact CE1-CD1 4.37Å; F28-I216 HydrophobicContact CE1-CG1 3.95Å; V175-I216 HydrophobicContact CG2-CD1 3.62Å; V175-I216 WeakPolarHBondContact O-CA 3.27Å; I216-L221 HydrophobicContact CD1-CD1 4.09Å; I216-L221 HydrophobicContact CD1-CD2 4.23Å; I216-L221 HydrophobicContact CG1-CD1 3.93Å; I216-L221 HydrophobicContact CG1-CD2 4.37Å; I216-L221 HydrophobicContact CG1-CG 4.23Å; I216-L221 HydrophobicContact CG2-CD2 4.01Å; I216-L221 HydrophobicContact CG2-CG 4.25Å; I216-F229 HydrophobicContact CD1-CE2 4.3Å; I216-F229 HydrophobicContact CD1-CZ 3.91Å
217G96Very high93.2Very high0 Ų033.6 Ų33.60%017%0.166CC..  trans-72.5-37.6-17900000112.7S5 F7 V175 L189 Y215S5-G217 VanDerWaalsContact CB-O 3.32Å; S5-G217 WeakPolarHBondContact CB-O 3.4Å; S5-G217 PolarHBondContact OG-O 3.27Å; F7-G217 WeakPolarHBondContact CE2-O 3.47Å; F7-G217 WeakPolarHBondContact CZ-O 3.38Å; V175-G217 PolarHBondContact O-N 3.08Å; L189-G217 VanDerWaalsContact CD1-O 3.32Å; L189-G217 WeakPolarHBondContact CD1-O 3.25Å; Y215-G217 PolarHBondContact O-N 3.47Å
218D94.4Very high93.2Very high0 Ų035.8 Ų35.80%018%0.176CC..SBendtrans-83.8172.6178.8-61.2-86.6000112.8P176 G177 L181 R182 G188 L189 G220P176-D218 WeakPolarHBondContact CA-OD2 3.48Å; G177-D218 PolarHBondContact N-OD2 2.95Å; L181-D218 WeakPolarHBondContact CA-OD1 3.07Å; L181-D218 HydrophobicContact CD2-CB 4.17Å; R182-D218 PolarHBondContact N-OD1 3.43Å; G188-D218 WeakPolarHBondContact CA-OD2 3.24Å; L189-D218 PolarHBondContact N-OD2 3.15Å; D218-G220 VanDerWaalsContact C-N 3.33Å; D218-G220 PolarHBondContact O-N 3.4Å
219S89.3Confident93.2Very high35 Ų3533.9 Ų33.925%0.24516%0.162CC..SBendtrans-86.41.6-172.4-47.10000114.5F7 Y19 K180F7-S219 VanDerWaalsContact CD2-OG 3.27Å; F7-S219 WeakPolarHBondContact CD2-OG 3.4Å; Y19-S219 VanDerWaalsContact CE1-O 3.28Å; Y19-S219 WeakPolarHBondContact CE1-O 3.02Å; K180-S219 PolarHBondContact O-N 3.03Å
220G88.9Confident93.6Very high2 Ų228.6 Ų28.62%0.02114%0.135CC..BIsolated β-bridgetrans-154.4144.9-172.500000114.4G177 D178 E179 D218G177-G220 WeakPolarHBondContact CA-O 3.29Å; D178-G220 PolarHBondContact N-O 3.09Å; E179-G220 PolarHBondContact N-O 3.11Å; E179-G220 CarbonylContact O-C 3.51Å; E179-G220 WeakPolarHBondContact O-CA 3.46Å; E179-G220 PolarHBondContact O-N 3.24Å; D218-G220 VanDerWaalsContact C-N 3.33Å; D218-G220 PolarHBondContact O-N 3.4Å
221L93.9Very high93.9Very high8 Ų830.5 Ų30.54%0.04214%0.143CC..  trans-120.4142.7162.4-69.4180000108.9M23 F28 D178 P200 I216 V225 L226 F229M23-L221 HydrophobicContact CE-CD1 4.18Å; F28-L221 HydrophobicContact CZ-CD1 3.96Å; D178-L221 WeakPolarHBondContact OD1-CA 3.43Å; P200-L221 HydrophobicContact CB-CD2 3.81Å; P200-L221 HydrophobicContact CG-CD2 3.96Å; I216-L221 HydrophobicContact CD1-CD1 4.09Å; I216-L221 HydrophobicContact CD1-CD2 4.23Å; I216-L221 HydrophobicContact CG1-CD1 3.93Å; I216-L221 HydrophobicContact CG1-CD2 4.37Å; I216-L221 HydrophobicContact CG1-CG 4.23Å; I216-L221 HydrophobicContact CG2-CD2 4.01Å; I216-L221 HydrophobicContact CG2-CG 4.25Å; L221-V225 HydrophobicContact CD1-CG1 4.28Å; L221-V225 HydrophobicContact CD2-CG1 3.94Å; L221-L226 HydrophobicContact CD1-CD1 4.48Å; L221-F229 HydrophobicContact CD1-CD2 3.91Å; L221-F229 HydrophobicContact CD1-CE2 3.92Å
222S92.3Very high93.9Very high9 Ų933.3 Ų33.36%0.06315%0.152CC..  trans-61.8149168.671.30000110.8D178 E179 E224 V225 L226D178-S222 PolarHBondContact OD1-N 3.08Å; D178-S222 WeakPolarHBondContact OD2-CB 3.17Å; D178-S222 PolarHBondContact OD2-OG 2.95Å; E179-S222 VanDerWaalsContact CD-CA 3.41Å; E179-S222 VanDerWaalsContact OE1-CA 3.26Å; E179-S222 WeakPolarHBondContact OE1-CA 3.45Å; E179-S222 WeakPolarHBondContact OE1-CB 3.32Å; S222-E224 PolarHBondContact O-N 3.22Å; S222-E224 VanDerWaalsContact O-N 3.07Å; S222-V225 PolarHBondContact O-N 2.73Å; S222-V225 WeakPolarHBondContact OG-CG2 3.45Å; S222-V225 PolarHBondContact OG-N 2.73Å; S222-L226 WeakPolarHBondContact O-CB 3.39Å; S222-L226 PolarHBondContact O-N 2.84Å
223K90.9Very high93.8Very high139 Ų13932.2 Ų32.260%0.60415%0.146SC*.Hα-helixtrans-55.2-30.8178.7-69.2-176.8179.4174.80112.9R227K223-R227 WeakPolarHBondContact O-CB 3.23Å; K223-R227 VanDerWaalsContact O-CG 3.23Å; K223-R227 WeakPolarHBondContact O-CG 3.45Å; K223-R227 PolarHBondContact O-N 3.17Å; K223-R227 VanDerWaalsContact O-N 3.1Å
224E89.4Confident93.5Very high56 Ų5637.6 Ų37.626%0.26217%0.17SC..Hα-helixtrans-67.4-51.3176.7179.7170.5-153.900111.2S222 L226 R227 Q228 R241 K329S222-E224 PolarHBondContact O-N 3.22Å; S222-E224 VanDerWaalsContact O-N 3.07Å; E224-L226 VanDerWaalsContact C-N 3.32Å; E224-L226 PolarHBondContact O-N 2.71Å; E224-R227 PolarHBondContact O-N 2.88Å; E224-Q228 WeakPolarHBondContact O-CG 3.49Å; E224-Q228 PolarHBondContact O-N 2.95Å; E224-Q228 VanDerWaalsContact O-N 3.09Å; E224-R241 IonicContact OE1-CZ 3.96Å; E224-R241 IonicContact OE1-NH1 2.62Å; E224-R241 PolarHBondContact OE1-NH1 2.96Å; E224-K329 IonicContact OE2-NZ 3.64Å; E224-K329 PolarHBondContact OE2-NZ 2.86Å
225V92.4Very high93.3Very high4 Ų443.4 Ų43.42%0.02420%0.197CC..Hα-helixtrans-63.2-41.6178.3173.90000110.6D178 P200 L221 S222 R227 Q228 F229D178-V225 WeakPolarHBondContact OD2-CG2 3.5Å; P200-V225 HydrophobicContact CB-CG1 3.93Å; P200-V225 HydrophobicContact CG-CG1 4.11Å; L221-V225 HydrophobicContact CD1-CG1 4.28Å; L221-V225 HydrophobicContact CD2-CG1 3.94Å; S222-V225 PolarHBondContact O-N 2.73Å; S222-V225 WeakPolarHBondContact OG-CG2 3.45Å; S222-V225 PolarHBondContact OG-N 2.73Å; V225-R227 PolarHBondContact O-N 2.77Å; V225-Q228 WeakPolarHBondContact O-CB 3.42Å; V225-Q228 PolarHBondContact O-N 2.98Å; V225-F229 HydrophobicContact CG1-CD2 3.75Å; V225-F229 HydrophobicContact CG1-CE2 3.65Å; V225-F229 WeakPolarHBondContact O-CD2 3.39Å; V225-F229 PolarHBondContact O-N 3.02Å
226L93.6Very high92.9Very high2 Ų251.7 Ų51.71%0.0124%0.235CC..Hα-helixtrans-57.9-46176.3-172.655.8000112E22 M23 Y26 F28 L221 S222 E224 Q228 F229 S230E22-L226 HydrophobicContact CB-CD2 4.48Å; E22-L226 HydrophobicContact CG-CD2 3.68Å; M23-L226 HydrophobicContact CE-CD1 4.49Å; M23-L226 HydrophobicContact SD-CD1 3.41Å; M23-L226 WeakPolarHBondContact SD-CD1 3.49Å; M23-L226 HydrophobicContact SD-CD2 4.41Å; Y26-L226 HydrophobicContact CD1-CB 4.4Å; Y26-L226 HydrophobicContact CD1-CD1 4.08Å; Y26-L226 HydrophobicContact CD1-CD2 4.23Å; Y26-L226 HydrophobicContact CD1-CG 3.51Å; Y26-L226 WeakPolarHBondContact CD1-O 3.33Å; Y26-L226 HydrophobicContact CE1-CD2 4.36Å; Y26-L226 HydrophobicContact CE1-CG 3.9Å; Y26-L226 HydrophobicContact CG-CD1 4.1Å; Y26-L226 HydrophobicContact CG-CD2 4.29Å; Y26-L226 HydrophobicContact CG-CG 3.85Å; F28-L226 HydrophobicContact CD2-CD1 4.32Å; F28-L226 HydrophobicContact CE2-CD1 3.73Å; L221-L226 HydrophobicContact CD1-CD1 4.48Å; S222-L226 WeakPolarHBondContact O-CB 3.39Å; S222-L226 PolarHBondContact O-N 2.84Å; E224-L226 VanDerWaalsContact C-N 3.32Å; E224-L226 PolarHBondContact O-N 2.71Å; L226-Q228 VanDerWaalsContact C-N 3.3Å; L226-Q228 PolarHBondContact O-N 3.4Å; L226-F229 PolarHBondContact O-N 3.21Å; L226-S230 PolarHBondContact O-N 3.48Å
227R92.9Very high92.6Very high154 Ų15453.2 Ų53.258%0.58125%0.248SC*.Hα-helixtrans-61.7-35.7174.3-74.6173.5-171.3-162.82.8112.8Y26 K223 E224 V225 S230 F231Y26-R227 HydrophobicContact CE1-CB 4.41Å; Y26-R227 HydrophobicContact CE1-CG 3.76Å; K223-R227 WeakPolarHBondContact O-CB 3.23Å; K223-R227 VanDerWaalsContact O-CG 3.23Å; K223-R227 WeakPolarHBondContact O-CG 3.45Å; K223-R227 PolarHBondContact O-N 3.17Å; K223-R227 VanDerWaalsContact O-N 3.1Å; E224-R227 PolarHBondContact O-N 2.88Å; V225-R227 PolarHBondContact O-N 2.77Å; R227-S230 PolarHBondContact O-N 3.39Å; R227-F231 WeakPolarHBondContact O-CB 3.37Å; R227-F231 PolarHBondContact O-N 3.42Å
228Q93.2Very high92.3Very high47 Ų4758 Ų5822%0.2227%0.273CS..Hα-helixtrans-68.9-42.7177-67.8168.1-18.400111.7H199 L201 E224 V225 L226 F231 Y232H199-Q228 PolarHBondContact CE1-OE1 3.05Å; H199-Q228 PolarHBondContact NE2-OE1 3.42Å; L201-Q228 HydrophobicContact CD2-CB 3.74Å; E224-Q228 WeakPolarHBondContact O-CG 3.49Å; E224-Q228 PolarHBondContact O-N 2.95Å; E224-Q228 VanDerWaalsContact O-N 3.09Å; V225-Q228 WeakPolarHBondContact O-CB 3.42Å; V225-Q228 PolarHBondContact O-N 2.98Å; L226-Q228 VanDerWaalsContact C-N 3.3Å; L226-Q228 PolarHBondContact O-N 3.4Å; Q228-F231 PolarHBondContact O-N 2.85Å; Q228-Y232 WeakPolarHBondContact O-CB 3.31Å; Q228-Y232 PolarHBondContact O-N 3.47Å
229F95.2Very high92Very high0 Ų064.7 Ų64.70%030%0.302CS..Hα-helixtrans-57.2-49.6171-88.7-83.4000111F2 F28 P200 L201 A204 I216 L221 V225 L226 F231 Y232 I233F2-F229 HydrophobicContact CD1-CD1 4.46Å; F2-F229 HydrophobicContact CD1-CE1 4.05Å; F2-F229 HydrophobicContact CE1-CE1 4.11Å; F2-F229 HydrophobicContact CG-CD1 4.43Å; F2-F229 HydrophobicContact CG-CE1 4.45Å; F28-F229 HydrophobicContact CE1-CD1 4.45Å; F28-F229 HydrophobicContact CE2-CB 3.88Å; F28-F229 HydrophobicContact CE2-CD1 4.49Å; F28-F229 HydrophobicContact CE2-CG 4.19Å; F28-F229 HydrophobicContact CZ-CB 3.93Å; F28-F229 AromaticContact CZ-CD1 3.78Å; F28-F229 HydrophobicContact CZ-CD1 3.78Å; F28-F229 HydrophobicContact CZ-CD2 4.15Å; F28-F229 HydrophobicContact CZ-CE1 4.29Å; F28-F229 AromaticContact CZ-CG 3.7Å; F28-F229 HydrophobicContact CZ-CG 3.7Å; P200-F229 HydrophobicContact CB-CE2 4.13Å; L201-F229 VanDerWaalsContact CA-CZ 3.49Å; L201-F229 HydrophobicContact CB-CD2 4.18Å; L201-F229 HydrophobicContact CB-CE2 3.83Å; L201-F229 HydrophobicContact CB-CZ 4.02Å; L201-F229 HydrophobicContact CD1-CD1 3.68Å; L201-F229 HydrophobicContact CD1-CD2 4.37Å; L201-F229 HydrophobicContact CD1-CE1 3.68Å; L201-F229 HydrophobicContact CD1-CE2 4.38Å; L201-F229 HydrophobicContact CD1-CG 4.04Å; L201-F229 HydrophobicContact CD1-CZ 4.05Å; A204-F229 HydrophobicContact CB-CE1 3.7Å; A204-F229 HydrophobicContact CB-CZ 3.72Å; I216-F229 HydrophobicContact CD1-CE2 4.3Å; I216-F229 HydrophobicContact CD1-CZ 3.91Å; L221-F229 HydrophobicContact CD1-CD2 3.91Å; L221-F229 HydrophobicContact CD1-CE2 3.92Å; V225-F229 HydrophobicContact CG1-CD2 3.75Å; V225-F229 HydrophobicContact CG1-CE2 3.65Å; V225-F229 WeakPolarHBondContact O-CD2 3.39Å; V225-F229 PolarHBondContact O-N 3.02Å; L226-F229 PolarHBondContact O-N 3.21Å; F229-F231 VanDerWaalsContact C-N 3.32Å; F229-F231 PolarHBondContact O-N 3.09Å; F229-Y232 PolarHBondContact O-N 3Å; F229-Y232 VanDerWaalsContact O-N 3.14Å; F229-I233 HydrophobicContact CB-CD1 4.5Å; F229-I233 WeakPolarHBondContact O-CB 3.4Å; F229-I233 VanDerWaalsContact O-CG1 3.24Å; F229-I233 WeakPolarHBondContact O-CG1 3.34Å; F229-I233 PolarHBondContact O-N 3.48Å
230S95.2Very high91.9Very high8 Ų866.4 Ų66.46%0.05631%0.308CS..Hα-helixtrans-63.2-39-179-167.10000113.1Y26 L226 R227 I233 K234Y26-S230 VanDerWaalsContact O-CA 3.25Å; Y26-S230 WeakPolarHBondContact O-CA 3.46Å; Y26-S230 WeakPolarHBondContact O-CB 3.42Å; Y26-S230 PolarHBondContact O-OG 2.98Å; L226-S230 PolarHBondContact O-N 3.48Å; R227-S230 PolarHBondContact O-N 3.39Å; S230-I233 PolarHBondContact O-N 2.98Å; S230-K234 VanDerWaalsContact O-CB 3.32Å; S230-K234 WeakPolarHBondContact O-CB 3.45Å; S230-K234 VanDerWaalsContact O-CG 3.28Å; S230-K234 WeakPolarHBondContact O-CG 3.35Å; S230-K234 PolarHBondContact O-N 3.07Å; S230-K234 WeakPolarHBondContact OG-CE 3.38Å; S230-K234 PolarHBondContact OG-NZ 2.84Å
231F93.8Very high91.9Very high70 Ų7073.9 Ų73.931%0.30734%0.336SS..Hα-helixtrans-62.9-44.9174.1-171.2-90.9000111.2R227 Q228 F229 K234 E235 A237 K239R227-F231 WeakPolarHBondContact O-CB 3.37Å; R227-F231 PolarHBondContact O-N 3.42Å; Q228-F231 PolarHBondContact O-N 2.85Å; F229-F231 VanDerWaalsContact C-N 3.32Å; F229-F231 PolarHBondContact O-N 3.09Å; F231-K234 PolarHBondContact O-N 2.93Å; F231-E235 HydrophobicContact CD1-CB 4.43Å; F231-E235 HydrophobicContact CD2-CG 4.02Å; F231-E235 HydrophobicContact CE1-CB 4.13Å; F231-E235 HydrophobicContact CE1-CG 4.3Å; F231-E235 HydrophobicContact CE2-CB 4.49Å; F231-E235 HydrophobicContact CE2-CG 3.79Å; F231-E235 HydrophobicContact CG-CG 4.38Å; F231-E235 HydrophobicContact CZ-CB 4.16Å; F231-E235 HydrophobicContact CZ-CG 3.93Å; F231-E235 VanDerWaalsContact O-CB 3.29Å; F231-E235 WeakPolarHBondContact O-CB 3.28Å; F231-E235 PolarHBondContact O-N 3.37Å; F231-A237 VanDerWaalsContact CD1-O 3.32Å; F231-A237 WeakPolarHBondContact CD1-O 3.46Å; F231-A237 HydrophobicContact CE1-CB 3.92Å; F231-K239 HydrophobicContact CD1-CB 3.75Å; F231-K239 HydrophobicContact CD2-CD 4.32Å; F231-K239 HydrophobicContact CE1-CB 3.8Å; F231-K239 HydrophobicContact CE2-CD 4.22Å; F231-K239 HydrophobicContact CG-CB 4.3Å; F231-K239 HydrophobicContact CZ-CB 4.37Å; F231-K239 HydrophobicContact CZ-CD 4.34Å
232Y94.6Very high91.6Very high69 Ų6975.6 Ų75.627%0.27135%0.347SS..Hα-helixtrans-62.9-44.9177177.5-101.4000112.4F2 L201 L205 Q228 F229 K234 E236 A237 L238F2-Y232 HydrophobicContact CE2-CD1 4.02Å; F2-Y232 AromaticContact CE2-CE1 3.99Å; F2-Y232 HydrophobicContact CE2-CE1 3.99Å; F2-Y232 HydrophobicContact CZ-CD1 4.28Å; F2-Y232 HydrophobicContact CZ-CE1 4.02Å; L201-Y232 HydrophobicContact CD1-CD1 4.4Å; L201-Y232 HydrophobicContact CD1-CG 4.45Å; L205-Y232 HydrophobicContact CD2-CD1 3.96Å; L205-Y232 HydrophobicContact CD2-CD2 4.24Å; L205-Y232 HydrophobicContact CD2-CE1 3.34Å; L205-Y232 HydrophobicContact CD2-CE2 3.67Å; L205-Y232 HydrophobicContact CD2-CG 4.37Å; L205-Y232 WeakPolarHBondContact CD2-OH 3.29Å; Q228-Y232 WeakPolarHBondContact O-CB 3.31Å; Q228-Y232 PolarHBondContact O-N 3.47Å; F229-Y232 PolarHBondContact O-N 3Å; F229-Y232 VanDerWaalsContact O-N 3.14Å; Y232-K234 VanDerWaalsContact C-N 3.32Å; Y232-K234 PolarHBondContact O-N 2.93Å; Y232-E236 WeakPolarHBondContact O-CA 3.25Å; Y232-E236 PolarHBondContact O-N 3Å; Y232-A237 WeakPolarHBondContact CA-O 3.28Å; Y232-L238 HydrophobicContact CD2-CD2 3.78Å; Y232-L238 HydrophobicContact CE2-CD2 4.36Å; Y232-L238 HydrophobicContact CG-CD2 4.49Å
233I93.5Very high91.6Very high53 Ų5380.5 Ų80.527%0.27237%0.368SS..Hα-helixtrans-63.1-38.4179.4-67.8164.5000111.5F2 F229 S230F2-I233 HydrophobicContact CD2-CD1 3.67Å; F2-I233 HydrophobicContact CD2-CG1 3.62Å; F2-I233 HydrophobicContact CE2-CD1 4.38Å; F2-I233 HydrophobicContact CE2-CG1 3.87Å; F2-I233 HydrophobicContact CG-CD1 4.47Å; F229-I233 HydrophobicContact CB-CD1 4.5Å; F229-I233 WeakPolarHBondContact O-CB 3.4Å; F229-I233 VanDerWaalsContact O-CG1 3.24Å; F229-I233 WeakPolarHBondContact O-CG1 3.34Å; F229-I233 PolarHBondContact O-N 3.48Å; S230-I233 PolarHBondContact O-N 2.98Å
234K91.4Very high91.7Very high130 Ų13076.7 Ų76.757%0.56536%0.363SS*.Hα-helixtrans-84.5-38.2-175.5-71.3170.7178.2161.10113.5S230 F231 Y232S230-K234 VanDerWaalsContact O-CB 3.32Å; S230-K234 WeakPolarHBondContact O-CB 3.45Å; S230-K234 VanDerWaalsContact O-CG 3.28Å; S230-K234 WeakPolarHBondContact O-CG 3.35Å; S230-K234 PolarHBondContact O-N 3.07Å; S230-K234 WeakPolarHBondContact OG-CE 3.38Å; S230-K234 PolarHBondContact OG-NZ 2.84Å; F231-K234 PolarHBondContact O-N 2.93Å; Y232-K234 VanDerWaalsContact C-N 3.32Å; Y232-K234 PolarHBondContact O-N 2.93Å
235E91.9Very high91.8Very high124 Ų12477.2 Ų77.258%0.57937%0.365SS*.Hα-helixtrans-110.5-5.3-170.1-54.8-66.3152.400113.2F231 A237F231-E235 HydrophobicContact CD1-CB 4.43Å; F231-E235 HydrophobicContact CD2-CG 4.02Å; F231-E235 HydrophobicContact CE1-CB 4.13Å; F231-E235 HydrophobicContact CE1-CG 4.3Å; F231-E235 HydrophobicContact CE2-CB 4.49Å; F231-E235 HydrophobicContact CE2-CG 3.79Å; F231-E235 HydrophobicContact CG-CG 4.38Å; F231-E235 HydrophobicContact CZ-CB 4.16Å; F231-E235 HydrophobicContact CZ-CG 3.93Å; F231-E235 VanDerWaalsContact O-CB 3.29Å; F231-E235 WeakPolarHBondContact O-CB 3.28Å; F231-E235 PolarHBondContact O-N 3.37Å; E235-A237 HydrophobicContact CB-CB 4.18Å; E235-A237 PolarHBondContact O-N 3.26Å; E235-A237 VanDerWaalsContact O-N 3.09Å
236E90.3Very high91.9Very high174 Ų17479.3 Ų79.381%0.81338%0.376SS*.SBendtrans51.431.7-172.9-61.1-175.1164.600112.8Y232Y232-E236 WeakPolarHBondContact O-CA 3.25Å; Y232-E236 PolarHBondContact O-N 3Å
237A91.7Very high91.9Very high33 Ų3386.6 Ų86.627%0.27341%0.407SS..  trans-133.8149-171.900000112.3F231 Y232 E235F231-A237 VanDerWaalsContact CD1-O 3.32Å; F231-A237 WeakPolarHBondContact CD1-O 3.46Å; F231-A237 HydrophobicContact CE1-CB 3.92Å; Y232-A237 WeakPolarHBondContact CA-O 3.28Å; E235-A237 HydrophobicContact CB-CB 4.18Å; E235-A237 PolarHBondContact O-N 3.26Å; E235-A237 VanDerWaalsContact O-N 3.09Å
238L90.8Very high92Very high101 Ų10179.7 Ų79.753%0.52938%0.382SS..  trans-94.5122.8173.1-61.4178.8000110.6L201 L205 Y232L201-L238 HydrophobicContact CD2-CD2 4.25Å; L205-L238 HydrophobicContact CD1-CD1 4.31Å; L205-L238 HydrophobicContact CD1-CD2 3.61Å; Y232-L238 HydrophobicContact CD2-CD2 3.78Å; Y232-L238 HydrophobicContact CE2-CD2 4.36Å; Y232-L238 HydrophobicContact CG-CD2 4.49Å
239K88.1Confident92Very high141 Ų14178.1 Ų78.161%0.61338%0.375SS*.  trans-92.2108.1175.1-168.6168.6-175.2171.30110.7F231F231-K239 HydrophobicContact CD1-CB 3.75Å; F231-K239 HydrophobicContact CD2-CD 4.32Å; F231-K239 HydrophobicContact CE1-CB 3.8Å; F231-K239 HydrophobicContact CE2-CD 4.22Å; F231-K239 HydrophobicContact CG-CB 4.3Å; F231-K239 HydrophobicContact CZ-CB 4.37Å; F231-K239 HydrophobicContact CZ-CD 4.34Å
240L87.2Confident91.9Very high71 Ų7184.8 Ų84.837%0.37241%0.406SS..  trans-96.9134.1177.5-56179.8000110.4I309L240-I309 HydrophobicContact CD1-CD1 3.79Å
241R87.3Confident91.8Very high158 Ų15887.5 Ų87.560%0.59642%0.415SS*.  trans-90.1137.5168.6-68.7-176-177.9172.82.1109.7E224 R326 V327E224-R241 IonicContact OE1-CZ 3.96Å; E224-R241 IonicContact OE1-NH1 2.62Å; E224-R241 PolarHBondContact OE1-NH1 2.96Å; R241-R326 WeakPolarHBondContact O-CA 3.49Å; R241-V327 HydrophobicContact CB-CB 4.35Å; R241-V327 HydrophobicContact CB-CG2 4.41Å; R241-V327 PolarHBondContact O-N 3.25Å
242V89Confident91.8Very high44 Ų4484.6 Ų84.627%0.26740%0.403SS..EExtended strand (participates in β ladder)trans-129.4133.5-177.4-60.90000108.8I249 L253 V293 Q325V242-I249 HydrophobicContact CG2-CD1 4.16Å; V242-I249 HydrophobicContact CG2-CG1 4.44Å; V242-L253 HydrophobicContact CG2-CD2 3.94Å; V242-V293 HydrophobicContact CB-CG2 4.36Å; V242-V293 HydrophobicContact CG1-CG2 3.71Å; V242-Q325 CarbonylContact C-O 3.6Å; V242-Q325 WeakPolarHBondContact CA-O 3.45Å
243E91Very high91.7Very high112 Ų11286 Ų8652%0.52342%0.415SS..EExtended strand (participates in β ladder)trans-81.4126.3166.9-174.4-176.9172.800107.6F245 G324 Q325 V327E243-F245 HydrophobicContact CB-CE1 4.46Å; E243-F245 HydrophobicContact CG-CD1 4.45Å; E243-F245 HydrophobicContact CG-CE1 4.06Å; E243-G324 CarbonylContact O-C 3.47Å; E243-G324 WeakPolarHBondContact O-CA 3.5Å; E243-Q325 PolarHBondContact N-O 2.88Å; E243-Q325 PolarHBondContact O-N 3.09Å; E243-V327 HydrophobicContact CB-CG2 4.03Å
244A92.5Very high91.6Very high60 Ų6086.3 Ų86.350%0.49643%0.431SS..EExtended strand (participates in β ladder)trans-83.4130.7-179.500000110.5I249A244-I249 HydrophobicContact CB-CB 4.1Å; A244-I249 HydrophobicContact CB-CG1 4.09Å; A244-I249 HydrophobicContact CB-CG2 3.74Å
245F92Very high91.6Very high67 Ų6785.7 Ų85.729%0.29444%0.438SS..SBendtrans-102.8-17.3174.1-63.4-22.4000113.3E243 R286 V322 V323 Q325E243-F245 HydrophobicContact CB-CE1 4.46Å; E243-F245 HydrophobicContact CG-CD1 4.45Å; E243-F245 HydrophobicContact CG-CE1 4.06Å; F245-R286 VanDerWaalsContact CD2-NH1 3.26Å; F245-V322 HydrophobicContact CD2-CG1 4.06Å; F245-V322 HydrophobicContact CE2-CG1 4.24Å; F245-V323 PolarHBondContact N-O 2.93Å; F245-Q325 HydrophobicContact CE1-CB 4.25Å; F245-Q325 HydrophobicContact CE2-CB 3.71Å; F245-Q325 HydrophobicContact CZ-CB 3.4Å; F245-Q325 HydrophobicContact CZ-CG 4.37Å
246D94Very high91.7Very high48 Ų4883 Ų8326%0.25743%0.426SS..SBendtrans-156.6157179.9-176-95.8000110.4Q248 I249 L283D246-Q248 PolarHBondContact O-N 3.31Å; D246-Q248 VanDerWaalsContact O-N 3.12Å; D246-Q248 WeakPolarHBondContact OD1-CB 3.49Å; D246-Q248 WeakPolarHBondContact OD1-CG 3.49Å; D246-Q248 PolarHBondContact OD1-N 2.94Å; D246-I249 VanDerWaalsContact O-CB 3.32Å; D246-I249 WeakPolarHBondContact O-CB 3.36Å; D246-I249 VanDerWaalsContact O-CG2 3.27Å; D246-I249 WeakPolarHBondContact O-CG2 3.27Å; D246-I249 PolarHBondContact O-N 2.94Å; D246-L283 HydrophobicContact CB-CD1 3.62Å
247K94.2Very high91.8Very high155 Ų15579.5 Ų79.567%0.67441%0.412SS*.THydrogen-bonded Turntrans-56.6-24.6176.262.8178.9176.4-178.80114.1I249 E250K247-I249 PolarHBondContact O-N 3.19Å; K247-E250 WeakPolarHBondContact O-CB 3.39Å; K247-E250 WeakPolarHBondContact O-CG 3.4Å; K247-E250 PolarHBondContact O-N 2.98Å
248Q94.5Very high91.9Very high9 Ų980.5 Ų80.54%0.04241%0.413CS..THydrogen-bonded Turntrans-60-12.6174-69.7-176.235.100113.2D246 E250 Y251 E281 N321 V323D246-Q248 PolarHBondContact O-N 3.31Å; D246-Q248 VanDerWaalsContact O-N 3.12Å; D246-Q248 WeakPolarHBondContact OD1-CB 3.49Å; D246-Q248 WeakPolarHBondContact OD1-CG 3.49Å; D246-Q248 PolarHBondContact OD1-N 2.94Å; Q248-E250 PolarHBondContact O-N 3.23Å; Q248-Y251 HydrophobicContact CB-CD2 4.02Å; Q248-Y251 HydrophobicContact CB-CE2 4.08Å; Q248-Y251 HydrophobicContact CG-CD2 4.17Å; Q248-Y251 HydrophobicContact CG-CE2 3.76Å; Q248-Y251 WeakPolarHBondContact O-CB 3.32Å; Q248-Y251 PolarHBondContact O-N 3.05Å; Q248-Y251 VanDerWaalsContact O-N 3.14Å; Q248-E281 PolarHBondContact NE2-O 3.42Å; Q248-N321 PolarHBondContact NE2-ND2 2.88Å; Q248-N321 PolarHBondContact OE1-ND2 2.89Å; Q248-V323 HydrophobicContact CB-CB 4.42Å; Q248-V323 HydrophobicContact CB-CG1 3.58Å
249I93.8Very high91.9Very high13 Ų1377.9 Ų77.97%0.06740%0.395CS..Hα-helixtrans-55.2-31.3169.4-162.862.7000112.3V242 A244 D246 K247 Y251 V252 L253 V293 V323V242-I249 HydrophobicContact CG2-CD1 4.16Å; V242-I249 HydrophobicContact CG2-CG1 4.44Å; A244-I249 HydrophobicContact CB-CB 4.1Å; A244-I249 HydrophobicContact CB-CG1 4.09Å; A244-I249 HydrophobicContact CB-CG2 3.74Å; D246-I249 VanDerWaalsContact O-CB 3.32Å; D246-I249 WeakPolarHBondContact O-CB 3.36Å; D246-I249 VanDerWaalsContact O-CG2 3.27Å; D246-I249 WeakPolarHBondContact O-CG2 3.27Å; D246-I249 PolarHBondContact O-N 2.94Å; K247-I249 PolarHBondContact O-N 3.19Å; I249-Y251 PolarHBondContact O-N 3.48Å; I249-V252 HydrophobicContact CD1-CB 4.37Å; I249-V252 WeakPolarHBondContact O-CA 3.44Å; I249-V252 WeakPolarHBondContact O-CB 3.46Å; I249-V252 PolarHBondContact O-N 2.86Å; I249-L253 HydrophobicContact CG1-CD2 4.33Å; I249-L253 HydrophobicContact CG1-CG 4.3Å; I249-L253 WeakPolarHBondContact O-CG 3.43Å; I249-L253 PolarHBondContact O-N 2.85Å; I249-V293 HydrophobicContact CD1-CG1 4.32Å; I249-V323 HydrophobicContact CD1-CB 4.44Å; I249-V323 HydrophobicContact CD1-CG2 3.93Å
250E93.6Very high91.9Very high140 Ų14080.8 Ų80.865%0.65441%0.411SS*.Hα-helixtrans-60.1-30179-68.4179.617800112.4K247 Q248 V252K247-E250 WeakPolarHBondContact O-CB 3.39Å; K247-E250 WeakPolarHBondContact O-CG 3.4Å; K247-E250 PolarHBondContact O-N 2.98Å; Q248-E250 PolarHBondContact O-N 3.23Å; E250-V252 VanDerWaalsContact C-N 3.27Å
251Y93.6Very high92.1Very high66 Ų6681.6 Ų81.626%0.25942%0.416SS..Hα-helixtrans-72.2-28.4175.9-49.6-28.1000111.6Q248 I249 K275 I277 P278 I295Q248-Y251 HydrophobicContact CB-CD2 4.02Å; Q248-Y251 HydrophobicContact CB-CE2 4.08Å; Q248-Y251 HydrophobicContact CG-CD2 4.17Å; Q248-Y251 HydrophobicContact CG-CE2 3.76Å; Q248-Y251 WeakPolarHBondContact O-CB 3.32Å; Q248-Y251 PolarHBondContact O-N 3.05Å; Q248-Y251 VanDerWaalsContact O-N 3.14Å; I249-Y251 PolarHBondContact O-N 3.48Å; Y251-K275 PolarHBondContact O-NZ 2.9Å; Y251-I277 HydrophobicContact CD2-CG2 4.37Å; Y251-I277 HydrophobicContact CG-CG2 4.43Å; Y251-P278 HydrophobicContact CD1-CG 4.28Å; Y251-P278 HydrophobicContact CE1-CG 3.62Å; Y251-P278 HydrophobicContact CE2-CG 3.88Å; Y251-P278 WeakPolarHBondContact OH-CG 3.47Å; Y251-I295 HydrophobicContact CD2-CD1 4.22Å
252V93Very high92.1Very high9 Ų980.3 Ų80.36%0.05542%0.417CS..Hα-helixtrans-80.9-51.2-179.8179.30000110.6I249 E250 H256 K275 V293 I295 I307 V323I249-V252 HydrophobicContact CD1-CB 4.37Å; I249-V252 WeakPolarHBondContact O-CA 3.44Å; I249-V252 WeakPolarHBondContact O-CB 3.46Å; I249-V252 PolarHBondContact O-N 2.86Å; E250-V252 VanDerWaalsContact C-N 3.27Å; V252-H256 PolarHBondContact O-CE1 3.14Å; V252-H256 PolarHBondContact O-NE2 2.98Å; V252-K275 PolarHBondContact O-NZ 3.21Å; V252-V293 HydrophobicContact CB-CG1 4.29Å; V252-V293 HydrophobicContact CG1-CG1 3.48Å; V252-V293 VanDerWaalsContact CG1-CG1 3.48Å; V252-V293 HydrophobicContact CG2-CG1 4.3Å; V252-I295 HydrophobicContact CG2-CB 4.34Å; V252-I307 HydrophobicContact CB-CG2 4.3Å; V252-I307 HydrophobicContact CG1-CG2 3.56Å; V252-I307 HydrophobicContact CG2-CD1 4.44Å; V252-I307 HydrophobicContact CG2-CG1 4.17Å; V252-I307 HydrophobicContact CG2-CG2 4.09Å; V252-V323 HydrophobicContact CG2-CG2 3.7Å
253L92.5Very high92.3Very high97 Ų9779.4 Ų79.451%0.50841%0.414SS..  trans-46141.6-172.1-65.1176.2000114.4V242 I249 K275V242-L253 HydrophobicContact CG2-CD2 3.94Å; I249-L253 HydrophobicContact CG1-CD2 4.33Å; I249-L253 HydrophobicContact CG1-CG 4.3Å; I249-L253 WeakPolarHBondContact O-CG 3.43Å; I249-L253 PolarHBondContact O-N 2.85Å; L253-K275 PolarHBondContact O-NZ 3.12Å
254G90.8Very high92.5Very high60 Ų6081.7 Ų81.762%0.61942%0.418SS*.SBendtrans132.3-163.8178.600000112.9H256G254-H256 PolarHBondContact O-CD2 3.01Å; G254-H256 VanDerWaalsContact O-CD2 3.23Å
255T92.1Very high92.7Very high117 Ų11780.6 Ų80.672%0.71840%0.403SS*.  trans-86.2136.8177-54.90000110.1
256H93.8Very high92.9Very high67 Ų6778 Ų7831%0.3139%0.393SS..  trans-132.2139.8177.9-57.5-90.3000110.2V252 G254 S269V252-H256 PolarHBondContact O-CE1 3.14Å; V252-H256 PolarHBondContact O-NE2 2.98Å; G254-H256 PolarHBondContact O-CD2 3.01Å; G254-H256 VanDerWaalsContact O-CD2 3.23Å; H256-S269 WeakPolarHBondContact ND1-CB 3.42Å; H256-S269 PolarHBondContact ND1-OG 3.29Å
257I92.8Very high93Very high102 Ų10278.7 Ų78.752%0.52340%0.396SS..  trans-105.2128.9168.3-58.6176000107A270 E271I257-A270 PolarHBondContact O-N 3.28Å; I257-E271 HydrophobicContact CB-CG 4.43Å; I257-E271 HydrophobicContact CG1-CG 4.39Å
258N92.7Very high93.1Very high54 Ų5473.2 Ų73.229%0.28937%0.371SS..BIsolated β-bridgetrans-64.7139.5171.5-172.734.6000109I267 R268N258-I267 HydrophobicContact CB-CG2 3.86Å; N258-I267 WeakPolarHBondContact OD1-CG2 3.38Å; N258-R268 CarbonylContact C-O 3.58Å; N258-R268 WeakPolarHBondContact CA-O 3.39Å; N258-R268 PolarHBondContact OD1-N 2.82Å; N258-R268 PolarHBondContact OD1-O 3.27Å
259R92Very high93.1Very high45 Ų4573.1 Ų73.117%0.1737%0.372CS..  trans-57.6144.5173.9-75-178.260.9151.93.8111.4D261 R268 A270R259-D261 VanDerWaalsContact C-N 3.28Å; R259-D261 WeakPolarHBondContact CB-OD1 3.49Å; R259-D261 IonicContact CZ-OD1 3.55Å; R259-D261 IonicContact CZ-OD2 3.8Å; R259-D261 IonicContact NE-OD1 2.73Å; R259-D261 PolarHBondContact NE-OD1 3.43Å; R259-D261 IonicContact NE-OD2 3.22Å; R259-D261 VanDerWaalsContact NH2-CG 3.34Å; R259-D261 IonicContact NH2-OD1 3.56Å; R259-D261 PolarHBondContact NH2-OD1 2.91Å; R259-D261 IonicContact NH2-OD2 3.02Å; R259-D261 PolarHBondContact NH2-OD2 3.45Å; R259-D261 PolarHBondContact O-N 2.76Å; R259-R268 HydrophobicContact CB-CB 4.48Å; R259-R268 HydrophobicContact CG-CB 4.22Å; R259-R268 PolarHBondContact N-O 2.76Å; R259-R268 VanDerWaalsContact NH1-NH2 3.12Å; R259-A270 HydrophobicContact CG-CB 3.94Å
260Q87.9Confident93.1Very high203 Ų20373.7 Ų73.795%0.94938%0.378SS*.SBendtrans-62.9-34.1178.2-67.4179-15.900112.5E262Q260-E262 PolarHBondContact O-N 3.35Å; Q260-E262 VanDerWaalsContact O-N 3.11Å
261D90.5Very high92.9Very high87 Ų8770 Ų7047%0.46536%0.361SS..SBendtrans-80.880.2170.958.1-41000110.4R259 A263R259-D261 VanDerWaalsContact C-N 3.28Å; R259-D261 WeakPolarHBondContact CB-OD1 3.49Å; R259-D261 IonicContact CZ-OD1 3.55Å; R259-D261 IonicContact CZ-OD2 3.8Å; R259-D261 IonicContact NE-OD1 2.73Å; R259-D261 PolarHBondContact NE-OD1 3.43Å; R259-D261 IonicContact NE-OD2 3.22Å; R259-D261 VanDerWaalsContact NH2-CG 3.34Å; R259-D261 IonicContact NH2-OD1 3.56Å; R259-D261 PolarHBondContact NH2-OD1 2.91Å; R259-D261 IonicContact NH2-OD2 3.02Å; R259-D261 PolarHBondContact NH2-OD2 3.45Å; R259-D261 PolarHBondContact O-N 2.76Å; D261-A263 PolarHBondContact O-N 3.11Å
262E87.3Confident92.5Very high131 Ų13167.1 Ų67.161%0.61235%0.351SS*.  trans-59.3127.3-173.4-167.3-171.316800112.3Q260 K311Q260-E262 PolarHBondContact O-N 3.35Å; Q260-E262 VanDerWaalsContact O-N 3.11Å; E262-K311 IonicContact OE1-NZ 3.89Å; E262-K311 PolarHBondContact OE1-NZ 2.88Å
263A94.6Very high91.8Very high25 Ų2574.5 Ų74.521%0.20738%0.378CS..  trans-86.2141.2172.500000111.3D261 D265 V266 R268 K311D261-A263 PolarHBondContact O-N 3.11Å; A263-D265 VanDerWaalsContact C-N 3.33Å; A263-D265 PolarHBondContact O-N 3.31Å; A263-V266 HydrophobicContact CB-CG2 3.95Å; A263-V266 WeakPolarHBondContact CB-O 3.24Å; A263-R268 HydrophobicContact CB-CG 4.35Å; A263-K311 WeakPolarHBondContact O-CE 3.49Å; A263-K311 PolarHBondContact O-NZ 3.33Å
264R94.9Very high91.4Very high160 Ų16077.7 Ų77.760%0.60439%0.388SS*.SBendtrans-60.2-39.7177.2-174.5-168.370.2-166.3-7.2113.2K311R264-K311 WeakPolarHBondContact O-CE 3.26Å; R264-K311 PolarHBondContact O-NZ 3.25Å
265D96.2Very high91.1Very high37 Ų3777.8 Ų77.820%0.19837%0.371CS..SBendtrans-101.3-18.3-165.4-61.8-29.3000113.9A263 K311 R312 L314A263-D265 VanDerWaalsContact C-N 3.33Å; A263-D265 PolarHBondContact O-N 3.31Å; D265-K311 WeakPolarHBondContact O-CB 3.34Å; D265-K311 PolarHBondContact O-N 2.82Å; D265-R312 PolarHBondContact O-N 3.3Å; D265-R312 WeakPolarHBondContact OD1-CD 3.48Å; D265-L314 HydrophobicContact CB-CD1 4.25Å; D265-L314 HydrophobicContact CB-CD2 4.16Å
266V96.6Very high90.8Very high13 Ų1382.5 Ų82.58%0.07938%0.382CS..EExtended strand (participates in β ladder)trans-145.8148.9-174.6-680000111.4A263 R268 Q308 I309 V310 L314A263-V266 HydrophobicContact CB-CG2 3.95Å; A263-V266 WeakPolarHBondContact CB-O 3.24Å; V266-R268 HydrophobicContact CG2-CG 3.63Å; V266-Q308 HydrophobicContact CB-CB 4.18Å; V266-Q308 HydrophobicContact CG1-CB 4.31Å; V266-I309 CarbonylContact C-O 3.57Å; V266-I309 VanDerWaalsContact CA-O 3.26Å; V266-I309 WeakPolarHBondContact CA-O 3.35Å; V266-V310 HydrophobicContact CG1-CG2 4.31Å; V266-L314 HydrophobicContact CG1-CD1 3.98Å
267I95.1Very high90.5Very high63 Ų6380.8 Ų80.832%0.32338%0.375SS..EExtended strand (participates in β ladder)trans-81.4131.3158.5-60.3177000106.2N258 Q308 I309 K311N258-I267 HydrophobicContact CB-CG2 3.86Å; N258-I267 WeakPolarHBondContact OD1-CG2 3.38Å; I267-Q308 CarbonylContact O-C 3.57Å; I267-Q308 WeakPolarHBondContact O-CA 3.49Å; I267-I309 HydrophobicContact CB-CB 4.2Å; I267-I309 PolarHBondContact N-O 2.84Å; I267-I309 PolarHBondContact O-N 2.92Å; I267-K311 HydrophobicContact CG1-CD 3.96Å; I267-K311 HydrophobicContact CG1-CG 4.02Å
268R96.7Very high90.4Very high39 Ų3978.8 Ų78.815%0.14737%0.368CS..EExtended strand (participates in β ladder)trans-116.9121.1-176.1-61.4173.965.6-155.94.3109N258 R259 A263 V266 A270 E306 Q308N258-R268 CarbonylContact C-O 3.58Å; N258-R268 WeakPolarHBondContact CA-O 3.39Å; N258-R268 PolarHBondContact OD1-N 2.82Å; N258-R268 PolarHBondContact OD1-O 3.27Å; R259-R268 HydrophobicContact CB-CB 4.48Å; R259-R268 HydrophobicContact CG-CB 4.22Å; R259-R268 PolarHBondContact N-O 2.76Å; R259-R268 VanDerWaalsContact NH1-NH2 3.12Å; A263-R268 HydrophobicContact CB-CG 4.35Å; V266-R268 HydrophobicContact CG2-CG 3.63Å; R268-A270 PolarHBondContact O-N 3.33Å; R268-E306 IonicContact CZ-OE1 2.74Å; R268-E306 VanDerWaalsContact CZ-OE1 3.28Å; R268-E306 IonicContact CZ-OE2 3.64Å; R268-E306 IonicContact NE-OE1 2.84Å; R268-E306 PolarHBondContact NE-OE1 3.5Å; R268-E306 IonicContact NE-OE2 3.66Å; R268-E306 VanDerWaalsContact NH2-CD 3.29Å; R268-E306 IonicContact NH2-OE1 3.38Å; R268-E306 PolarHBondContact NH2-OE1 2.96Å; R268-E306 IonicContact NH2-OE2 3.54Å; R268-E306 PolarHBondContact NH2-OE2 2.81Å; R268-Q308 HydrophobicContact CG-CG 4.41Å
269S95.7Very high90.4Very high7 Ų780.5 Ų80.55%0.04938%0.377CS..BIsolated β-bridgetrans-70118.7178.9-179.20000110.9H256 E271 A272 I307H256-S269 WeakPolarHBondContact ND1-CB 3.42Å; H256-S269 PolarHBondContact ND1-OG 3.29Å; S269-E271 VanDerWaalsContact C-N 3.31Å; S269-E271 PolarHBondContact OG-N 2.91Å; S269-A272 PolarHBondContact OG-N 3.35Å; S269-I307 PolarHBondContact N-O 3.18Å
270A92.6Very high90.6Very high25 Ų2578.3 Ų78.321%0.20737%0.369CS..SBendtrans-65.9-38.7169.100000111.1I257 R259 R268 A272 R273I257-A270 PolarHBondContact O-N 3.28Å; R259-A270 HydrophobicContact CG-CB 3.94Å; R268-A270 PolarHBondContact O-N 3.33Å; A270-A272 VanDerWaalsContact C-N 3.27Å; A270-A272 PolarHBondContact O-N 3.23Å; A270-R273 PolarHBondContact O-N 3.13Å
271E88.8Confident90.9Very high63 Ų6374 Ų7429%0.29435%0.349SS..G310 helixtrans-64.8-25.7-177.5-61.1-50.5126.500114.3I257 S269 R273 F274 K275I257-E271 HydrophobicContact CB-CG 4.43Å; I257-E271 HydrophobicContact CG1-CG 4.39Å; S269-E271 VanDerWaalsContact C-N 3.31Å; S269-E271 PolarHBondContact OG-N 2.91Å; E271-R273 PolarHBondContact O-N 3.06Å; E271-F274 PolarHBondContact O-N 2.95Å; E271-K275 PolarHBondContact O-N 3.11Å
272A85.5Confident91.2Very high5 Ų572.2 Ų72.24%0.04134%0.342CS..G310 helixtrans-53.9-30.5179.300000113S269 A270 F274 K275 I307S269-A272 PolarHBondContact OG-N 3.35Å; A270-A272 VanDerWaalsContact C-N 3.27Å; A270-A272 PolarHBondContact O-N 3.23Å; A272-F274 VanDerWaalsContact C-N 3.28Å; A272-F274 PolarHBondContact O-N 3.46Å; A272-K275 PolarHBondContact O-N 3.23Å; A272-I307 HydrophobicContact CB-CB 4.02Å; A272-I307 HydrophobicContact CB-CD1 3.74Å; A272-I307 HydrophobicContact CB-CG1 3.91Å
273R79.7Confident91.6Very high165 Ų16568.4 Ų68.462%0.62333%0.325SS*.G310 helixtrans-70.6-21.8179.1-65.6175.2170.1-162.6-13.1114.1A270 E271A270-R273 PolarHBondContact O-N 3.13Å; E271-R273 PolarHBondContact O-N 3.06Å
274F82.9Confident91.5Very high163 Ų16372 Ų7272%0.71535%0.349SS*.THydrogen-bonded Turntrans-99.2-14-180-54.9-64.4000112.2E271 A272E271-F274 PolarHBondContact O-N 2.95Å; A272-F274 VanDerWaalsContact C-N 3.28Å; A272-F274 PolarHBondContact O-N 3.46Å
275K84.1Confident91.4Very high63 Ų6368.2 Ų68.227%0.27434%0.343SS..SBendtrans-71.1138173.3-68.8-166.4-179.7-170.30110.2Y251 V252 L253 E271 A272 I277 I307Y251-K275 PolarHBondContact O-NZ 2.9Å; V252-K275 PolarHBondContact O-NZ 3.21Å; L253-K275 PolarHBondContact O-NZ 3.12Å; E271-K275 PolarHBondContact O-N 3.11Å; A272-K275 PolarHBondContact O-N 3.23Å; K275-I277 VanDerWaalsContact C-N 3.27Å; K275-I277 HydrophobicContact CB-CD1 4.14Å; K275-I277 HydrophobicContact CB-CG1 3.75Å; K275-I277 PolarHBondContact O-N 2.82Å; K275-I307 HydrophobicContact CD-CD1 4.37Å
276K86.4Confident91.1Very high215 Ų21571.8 Ų71.894%0.93535%0.354SS*.  trans-76.781.2167.7-71.6-177.4179.81780109.2
277I87.2Confident90.9Very high32 Ų3277.2 Ų77.216%0.16438%0.377CS..  trans-86.4125.4177.9-57.2175.7000107.9Y251 K275 V280 I295 G305 I307Y251-I277 HydrophobicContact CD2-CG2 4.37Å; Y251-I277 HydrophobicContact CG-CG2 4.43Å; K275-I277 VanDerWaalsContact C-N 3.27Å; K275-I277 HydrophobicContact CB-CD1 4.14Å; K275-I277 HydrophobicContact CB-CG1 3.75Å; K275-I277 PolarHBondContact O-N 2.82Å; I277-V280 HydrophobicContact CG2-CG2 3.53Å; I277-I295 HydrophobicContact CD1-CD1 4.37Å; I277-I295 HydrophobicContact CG2-CD1 4Å; I277-G305 WeakPolarHBondContact CD1-O 3.23Å; I277-I307 HydrophobicContact CD1-CD1 4.13Å
278P90.8Very high90.9Very high60 Ų6075.2 Ų75.239%0.3937%0.365SS..  trans-66.1176.2175.229.9-35000110.9Y251 V280Y251-P278 HydrophobicContact CD1-CG 4.28Å; Y251-P278 HydrophobicContact CE1-CG 3.62Å; Y251-P278 HydrophobicContact CE2-CG 3.88Å; Y251-P278 WeakPolarHBondContact OH-CG 3.47Å; P278-V280 WeakPolarHBondContact O-CG2 3.37Å; P278-V280 PolarHBondContact O-N 2.63Å; P278-V280 VanDerWaalsContact O-N 3.11Å
279N93.1Very high90.7Very high89 Ų8976.6 Ų76.648%0.47638%0.376SS..  trans-56.5122.3172.4-166.259.7000109.8E281 M304N279-E281 PolarHBondContact ND2-OE1 3.01Å; N279-E281 PolarHBondContact O-N 2.93Å; N279-M304 PolarHBondContact OD1-SD 2.61Å
280V95.4Very high90.5Very high0 Ų079.1 Ų79.10%039%0.391CS..  trans-91.1101.1-173.6-177.30000108.7I277 P278 I295 N297 A298 M304I277-V280 HydrophobicContact CG2-CG2 3.53Å; P278-V280 WeakPolarHBondContact O-CG2 3.37Å; P278-V280 PolarHBondContact O-N 2.63Å; P278-V280 VanDerWaalsContact O-N 3.11Å; V280-I295 HydrophobicContact CG1-CD1 4.47Å; V280-I295 HydrophobicContact CG1-CG1 4.42Å; V280-I295 HydrophobicContact CG1-CG2 4Å; V280-I295 HydrophobicContact CG2-CD1 4.01Å; V280-I295 HydrophobicContact CG2-CG1 4.42Å; V280-N297 HydrophobicContact CB-CB 4.43Å; V280-N297 HydrophobicContact CG1-CB 3.92Å; V280-N297 CarbonylContact O-C 3.55Å; V280-N297 WeakPolarHBondContact O-CA 3.12Å; V280-N297 WeakPolarHBondContact O-CB 3.49Å; V280-A298 WeakPolarHBondContact O-CB 3.4Å; V280-A298 PolarHBondContact O-N 3.41Å; V280-M304 HydrophobicContact CB-CG 4.03Å; V280-M304 HydrophobicContact CG2-CG 4.06Å
281E95.8Very high90.5Very high113 Ų11378.1 Ų78.153%0.52838%0.382SS..  trans-69137.3-179.5-64.4-55.5143.300111.7Q248 N279 L283 N321Q248-E281 PolarHBondContact NE2-O 3.42Å; N279-E281 PolarHBondContact ND2-OE1 3.01Å; N279-E281 PolarHBondContact O-N 2.93Å; E281-L283 PolarHBondContact O-N 3.34Å; E281-N321 PolarHBondContact O-ND2 3.44Å
282P96.7Very high90.8Very high49 Ų4975.1 Ų75.132%0.31837%0.368SS..  trans-58.6133.8176.7-23.933.8000113N297 K299P282-N297 HydrophobicContact CG-CB 4.45Å; P282-K299 HydrophobicContact CB-CD 4.5Å; P282-K299 HydrophobicContact CG-CD 4.08Å; P282-K299 HydrophobicContact CG-CG 3.96Å
283L95.1Very high91.3Very high50 Ų5075 Ų7526%0.26237%0.367SS..  trans-97.2174.2171.9-63.5-178.1000111.2D246 E281 V285 N321 V323D246-L283 HydrophobicContact CB-CD1 3.62Å; E281-L283 PolarHBondContact O-N 3.34Å; L283-V285 PolarHBondContact O-N 3.36Å; L283-N321 HydrophobicContact CB-CB 4.34Å; L283-N321 HydrophobicContact CD1-CB 4.02Å; L283-N321 HydrophobicContact CG-CB 4.17Å; L283-N321 PolarHBondContact N-OD1 3.28Å; L283-V323 HydrophobicContact CD1-CG1 4.23Å
284S92.2Very high92.2Very high101 Ų10167.2 Ų67.271%0.70634%0.338SS*.  trans-55.6130.3170.2-570000110.7R286S284-R286 PolarHBondContact O-N 3.12Å
285V92.2Very high92.9Very high80 Ų8059.4 Ų59.449%0.48530%0.304SS..  trans-66.2121.9-175.6-167.60000109.9L283 A316 E318L283-V285 PolarHBondContact O-N 3.36Å; V285-A316 HydrophobicContact CG1-CB 3.49Å; V285-A316 VanDerWaalsContact CG1-CB 3.49Å; V285-E318 HydrophobicContact CG2-CB 3.88Å
286R91Very high93.5Very high113 Ų11356.5 Ų56.543%0.42629%0.291SS..  trans-117.6153177.2-66.9-175.8-177.8-155.12.9110.7F245 S284 A316 V322F245-R286 VanDerWaalsContact CD2-NH1 3.26Å; S284-R286 PolarHBondContact O-N 3.12Å; R286-A316 WeakPolarHBondContact O-CA 3.36Å; R286-V322 HydrophobicContact CB-CB 4.07Å; R286-V322 HydrophobicContact CB-CG2 3.87Å
287K91.4Very high94Very high126 Ų12646.3 Ų46.355%0.54825%0.247SC..  trans-63.3146.5166.2-170.2-177.1175.7-139.40109.1D289K287-D289 WeakPolarHBondContact CD-OD1 3.48Å; K287-D289 VanDerWaalsContact CE-OD1 3.24Å; K287-D289 WeakPolarHBondContact CE-OD1 3.32Å; K287-D289 IonicContact NZ-OD1 2.81Å; K287-D289 PolarHBondContact NZ-OD1 3.07Å
288R95.4Very high94.5Very high22 Ų2246.3 Ų46.38%0.08325%0.251CS..BIsolated β-bridgetrans-104.483.5-178.6-74.4177.3-65.3174.4-3.3108.8T294 V310 A313 L314 P315 V322R288-T294 HydrophobicContact CG-CG2 4.2Å; R288-V310 HydrophobicContact CB-CG2 4.12Å; R288-A313 WeakPolarHBondContact O-CA 3.44Å; R288-L314 HydrophobicContact CB-CB 3.86Å; R288-L314 PolarHBondContact N-O 2.87Å; R288-L314 PolarHBondContact O-N 3.29Å; R288-P315 VanDerWaalsContact CZ-O 3.26Å; R288-P315 PolarHBondContact NE-O 3.04Å; R288-P315 PolarHBondContact NH2-O 2.97Å; R288-V322 HydrophobicContact CG-CG2 3.79Å
289D92.7Very high94.8Very high68 Ų6848.2 Ų48.236%0.36425%0.254SS..  trans-74.9165.5178.3-65.6-52.8000111.4K287 G291 A292 V310K287-D289 WeakPolarHBondContact CD-OD1 3.48Å; K287-D289 VanDerWaalsContact CE-OD1 3.24Å; K287-D289 WeakPolarHBondContact CE-OD1 3.32Å; K287-D289 IonicContact NZ-OD1 2.81Å; K287-D289 PolarHBondContact NZ-OD1 3.07Å; D289-G291 PolarHBondContact O-N 3.3Å; D289-A292 WeakPolarHBondContact O-CB 3.26Å; D289-A292 PolarHBondContact O-N 3.31Å; D289-V310 WeakPolarHBondContact O-CB 3.44Å; D289-V310 WeakPolarHBondContact O-CG1 2.84Å
290V91.7Very high94.9Very high60 Ų6047.5 Ų47.536%0.36425%0.245SC..THydrogen-bonded Turntrans-60.7130.3-179.8-178.70000110.1A292 Q325 W328V290-A292 VanDerWaalsContact C-N 3.33Å; V290-Q325 PolarHBondContact O-NE2 3.38Å; V290-W328 HydrophobicContact CG1-CZ2 4.22Å
291G92.4Very high94.9Very high3 Ų354.2 Ų54.23%0.03128%0.28CS..THydrogen-bonded Turntrans85.5-1.2-174.200000114.5D289 V293 V310 R326D289-G291 PolarHBondContact O-N 3.3Å; G291-V293 PolarHBondContact O-N 3.22Å; G291-V310 PolarHBondContact N-O 3.23Å; G291-R326 WeakPolarHBondContact O-CB 3.33Å; G291-R326 PolarHBondContact O-N 2.98Å
292A95.5Very high94.7Very high0 Ų059 Ų590%029%0.293CS..EExtended strand (participates in β ladder)trans-60.2134.7172.400000110.2D289 V290 T294 I309 V310 V322 Q325D289-A292 WeakPolarHBondContact O-CB 3.26Å; D289-A292 PolarHBondContact O-N 3.31Å; V290-A292 VanDerWaalsContact C-N 3.33Å; A292-T294 HydrophobicContact CB-CG2 4.4Å; A292-I309 WeakPolarHBondContact O-CA 3.26Å; A292-V310 HydrophobicContact CB-CB 4.16Å; A292-V310 HydrophobicContact CB-CG2 3.95Å; A292-V310 WeakPolarHBondContact O-CG2 3.46Å; A292-V310 PolarHBondContact O-N 3.46Å; A292-V322 HydrophobicContact CB-CG1 4.19Å; A292-Q325 VanDerWaalsContact CA-OE1 3.27Å
293V96.6Very high94.5Very high4 Ų460.6 Ų60.62%0.02429%0.294CS..EExtended strand (participates in β ladder)trans-100.4121.4176.7-177.50000107.4V242 I249 V252 G291 V323 G324V242-V293 HydrophobicContact CB-CG2 4.36Å; V242-V293 HydrophobicContact CG1-CG2 3.71Å; I249-V293 HydrophobicContact CD1-CG1 4.32Å; V252-V293 HydrophobicContact CB-CG1 4.29Å; V252-V293 HydrophobicContact CG1-CG1 3.48Å; V252-V293 VanDerWaalsContact CG1-CG1 3.48Å; V252-V293 HydrophobicContact CG2-CG1 4.3Å; G291-V293 PolarHBondContact O-N 3.22Å; V293-V323 HydrophobicContact CG1-CG2 4.17Å; V293-V323 WeakPolarHBondContact O-CG2 3.16Å; V293-V323 PolarHBondContact O-N 3.27Å; V293-G324 PolarHBondContact N-O 3.04Å; V293-G324 PolarHBondContact O-N 2.88Å
294T97.5Very high94.5Very high0 Ų061.4 Ų61.40%030%0.297CS..EExtended strand (participates in β ladder)trans-127.7153.8-172.471.40000112.6R288 A292 I307 Q308 V310 V320 N321 V322R288-T294 HydrophobicContact CG-CG2 4.2Å; A292-T294 HydrophobicContact CB-CG2 4.4Å; T294-I307 WeakPolarHBondContact O-CA 3.43Å; T294-Q308 PolarHBondContact N-O 2.95Å; T294-Q308 PolarHBondContact O-N 2.99Å; T294-Q308 WeakPolarHBondContact OG1-CB 3.38Å; T294-V310 HydrophobicContact CG2-CG2 4.12Å; T294-V320 HydrophobicContact CG2-CG1 3.98Å; T294-N321 CarbonylContact C-O 3.56Å; T294-N321 WeakPolarHBondContact CA-O 3.28Å; T294-N321 VanDerWaalsContact CB-O 3.28Å; T294-N321 WeakPolarHBondContact CB-O 3.13Å; T294-V322 HydrophobicContact CG2-CG2 4.08Å
295I97.3Very high94.7Very high0 Ų056.9 Ų56.90%027%0.266CS..EExtended strand (participates in β ladder)trans-132.2130.6170.5-169.4170.6000109.3Y251 V252 I277 V280 N297 E306 I307 N321 V323Y251-I295 HydrophobicContact CD2-CD1 4.22Å; V252-I295 HydrophobicContact CG2-CB 4.34Å; I277-I295 HydrophobicContact CD1-CD1 4.37Å; I277-I295 HydrophobicContact CG2-CD1 4Å; V280-I295 HydrophobicContact CG1-CD1 4.47Å; V280-I295 HydrophobicContact CG1-CG1 4.42Å; V280-I295 HydrophobicContact CG1-CG2 4Å; V280-I295 HydrophobicContact CG2-CD1 4.01Å; V280-I295 HydrophobicContact CG2-CG1 4.42Å; I295-N297 PolarHBondContact O-N 3.48Å; I295-E306 CarbonylContact C-O 3.48Å; I295-E306 WeakPolarHBondContact CA-O 3.37Å; I295-I307 HydrophobicContact CD1-CG1 4.26Å; I295-I307 HydrophobicContact CG1-CG1 4.2Å; I295-N321 HydrophobicContact CG2-CB 3.95Å; I295-N321 PolarHBondContact N-O 2.83Å; I295-N321 WeakPolarHBondContact O-CB 3.43Å; I295-N321 PolarHBondContact O-N 2.92Å; I295-V323 HydrophobicContact CG2-CG1 3.58Å; I295-V323 HydrophobicContact CG2-CG2 4.44Å
296D97.7Very high94.9Very high2 Ų254 Ų541%0.01125%0.247CC..EExtended strand (participates in β ladder)trans-69.1128177.8-76.20.4000109.5Y300 Y303 M304 G305 E306D296-Y300 HydrophobicContact CB-CD2 4.18Å; D296-Y300 HydrophobicContact CB-CG 4.28Å; D296-Y303 VanDerWaalsContact CB-O 3.22Å; D296-Y303 WeakPolarHBondContact CB-O 3.46Å; D296-M304 WeakPolarHBondContact O-CA 3.32Å; D296-G305 PolarHBondContact O-N 2.95Å; D296-E306 HydrophobicContact CB-CB 4.2Å; D296-E306 PolarHBondContact N-O 3.23Å
297N97.5Very high95.1Very high0 Ų048.8 Ų48.80%023%0.228CC..  trans-90.6178.1-175.672.343.9000112.2V280 P282 I295 K299 Y300 E318 K319 N321V280-N297 HydrophobicContact CB-CB 4.43Å; V280-N297 HydrophobicContact CG1-CB 3.92Å; V280-N297 CarbonylContact O-C 3.55Å; V280-N297 WeakPolarHBondContact O-CA 3.12Å; V280-N297 WeakPolarHBondContact O-CB 3.49Å; P282-N297 HydrophobicContact CG-CB 4.45Å; I295-N297 PolarHBondContact O-N 3.48Å; N297-K299 PolarHBondContact O-N 3.46Å; N297-K299 VanDerWaalsContact OD1-CB 3.26Å; N297-K299 WeakPolarHBondContact OD1-CB 3.46Å; N297-K299 PolarHBondContact OD1-N 2.98Å; N297-Y300 WeakPolarHBondContact O-CB 3.44Å; N297-Y300 PolarHBondContact O-N 3.43Å; N297-E318 PolarHBondContact ND2-O 2.99Å; N297-K319 VanDerWaalsContact CG-C 3.49Å; N297-K319 VanDerWaalsContact CG-O 3.23Å; N297-K319 PolarHBondContact N-O 3.27Å; N297-K319 PolarHBondContact ND2-O 3.43Å; N297-K319 PolarHBondContact OD1-O 2.89Å; N297-N321 PolarHBondContact ND2-OD1 3.26Å
298A96.4Very high95.4Very high32 Ų3243.7 Ų43.726%0.26421%0.206SC..G310 helixtrans-56.3-25.3-175.900000113.9V280 Y300 L301 M304V280-A298 WeakPolarHBondContact O-CB 3.4Å; V280-A298 PolarHBondContact O-N 3.41Å; A298-Y300 PolarHBondContact O-N 3.48Å; A298-L301 PolarHBondContact O-N 2.74Å; A298-M304 HydrophobicContact CB-SD 4.03Å
299K96.8Very high95.5Very high100 Ų10044.5 Ų44.544%0.43521%0.212SC..G310 helixtrans-69.2-17.8175.5-62.3177.7171.6-178.80113P282 N297 L301 E318 K319P282-K299 HydrophobicContact CB-CD 4.5Å; P282-K299 HydrophobicContact CG-CD 4.08Å; P282-K299 HydrophobicContact CG-CG 3.96Å; N297-K299 PolarHBondContact O-N 3.46Å; N297-K299 VanDerWaalsContact OD1-CB 3.26Å; N297-K299 WeakPolarHBondContact OD1-CB 3.46Å; N297-K299 PolarHBondContact OD1-N 2.98Å; K299-L301 PolarHBondContact O-N 3.24Å; K299-E318 HydrophobicContact CD-CG 4.43Å; K299-E318 IonicContact NZ-OE2 3.41Å; K299-E318 PolarHBondContact NZ-OE2 3.42Å; K299-K319 HydrophobicContact CB-CB 4.29Å; K299-K319 HydrophobicContact CB-CG 3.9Å
300Y95.9Very high95.7Very high74 Ų7441.4 Ų41.429%0.2920%0.195SC..G310 helixtrans-84.75.8175.6-127.9-53.1000113.3D296 N297 A298 R302 Y303 K319 V320D296-Y300 HydrophobicContact CB-CD2 4.18Å; D296-Y300 HydrophobicContact CB-CG 4.28Å; N297-Y300 WeakPolarHBondContact O-CB 3.44Å; N297-Y300 PolarHBondContact O-N 3.43Å; A298-Y300 PolarHBondContact O-N 3.48Å; Y300-R302 PolarHBondContact O-N 3.23Å; Y300-R302 VanDerWaalsContact O-N 3.16Å; Y300-Y303 AromaticContact CD1-CD2 3.62Å; Y300-Y303 HydrophobicContact CD1-CD2 3.62Å; Y300-Y303 AromaticContact CD1-CG 3.94Å; Y300-Y303 HydrophobicContact CD1-CG 3.94Å; Y300-Y303 AromaticContact CE1-CD2 3.85Å; Y300-Y303 HydrophobicContact CE1-CD2 3.85Å; Y300-Y303 HydrophobicContact CE1-CE2 4.44Å; Y300-Y303 HydrophobicContact CE1-CG 4.23Å; Y300-Y303 PolarHBondContact O-N 2.96Å; Y300-Y303 VanDerWaalsContact O-N 3.09Å; Y300-K319 HydrophobicContact CD2-CB 3.23Å; Y300-K319 HydrophobicContact CD2-CD 4.26Å; Y300-K319 HydrophobicContact CD2-CG 4.33Å; Y300-K319 WeakPolarHBondContact CD2-O 3.44Å; Y300-K319 HydrophobicContact CE2-CB 3.8Å; Y300-K319 HydrophobicContact CE2-CD 4.42Å; Y300-K319 HydrophobicContact CG-CB 3.82Å; Y300-K319 HydrophobicContact CG-CD 4.34Å; Y300-V320 HydrophobicContact CD2-CG2 3.89Å; Y300-V320 HydrophobicContact CE2-CG2 3.67Å
301L94.4Very high95.7Very high142 Ų14241.7 Ų41.774%0.74319%0.191SC*.G310 helixtrans54.2-118.7172.8-55.5176.6000111.6A298 K299 Y303 M304A298-L301 PolarHBondContact O-N 2.74Å; K299-L301 PolarHBondContact O-N 3.24Å; L301-Y303 PolarHBondContact O-N 2.8Å; L301-M304 VanDerWaalsContact O-CB 3.22Å; L301-M304 WeakPolarHBondContact O-CB 3.12Å; L301-M304 PolarHBondContact O-N 2.81Å
302R92.4Very high95.7Very high214 Ų21448.1 Ų48.181%0.80822%0.215SC*.G310 helixtrans-60.4-15.6-178.372.7179.5-176.6-166.7-1.8114.8Y300Y300-R302 PolarHBondContact O-N 3.23Å; Y300-R302 VanDerWaalsContact O-N 3.16Å
303Y93.2Very high95.6Very high82 Ų8251.1 Ų51.132%0.32224%0.24SC..G310 helixtrans-93.8-6.1177.2-62.2-83.8000112.6D296 Y300 L301 G305 E306D296-Y303 VanDerWaalsContact CB-O 3.22Å; D296-Y303 WeakPolarHBondContact CB-O 3.46Å; Y300-Y303 AromaticContact CD1-CD2 3.62Å; Y300-Y303 HydrophobicContact CD1-CD2 3.62Å; Y300-Y303 AromaticContact CD1-CG 3.94Å; Y300-Y303 HydrophobicContact CD1-CG 3.94Å; Y300-Y303 AromaticContact CE1-CD2 3.85Å; Y300-Y303 HydrophobicContact CE1-CD2 3.85Å; Y300-Y303 HydrophobicContact CE1-CE2 4.44Å; Y300-Y303 HydrophobicContact CE1-CG 4.23Å; Y300-Y303 PolarHBondContact O-N 2.96Å; Y300-Y303 VanDerWaalsContact O-N 3.09Å; L301-Y303 PolarHBondContact O-N 2.8Å; Y303-G305 PolarHBondContact O-N 2.89Å; Y303-E306 WeakPolarHBondContact O-CB 3.47Å; Y303-E306 PolarHBondContact O-N 2.69Å
304M95.2Very high95.6Very high66 Ų6652.4 Ų52.433%0.32525%0.246SC..THydrogen-bonded Turntrans-50130.5177.2-177.7-16877.400110.8N279 V280 D296 A298 L301N279-M304 PolarHBondContact OD1-SD 2.61Å; V280-M304 HydrophobicContact CB-CG 4.03Å; V280-M304 HydrophobicContact CG2-CG 4.06Å; D296-M304 WeakPolarHBondContact O-CA 3.32Å; A298-M304 HydrophobicContact CB-SD 4.03Å; L301-M304 VanDerWaalsContact O-CB 3.22Å; L301-M304 WeakPolarHBondContact O-CB 3.12Å; L301-M304 PolarHBondContact O-N 2.81Å
305G94.9Very high95.5Very high6 Ų656.9 Ų56.96%0.06228%0.275CS..THydrogen-bonded Turntrans87-1.5-176.100000114.4I277 D296 Y303 I307I277-G305 WeakPolarHBondContact CD1-O 3.23Å; D296-G305 PolarHBondContact O-N 2.95Å; Y303-G305 PolarHBondContact O-N 2.89Å; G305-I307 PolarHBondContact O-N 3.23Å
306E96.3Very high95.4Very high20 Ų2059.5 Ų59.59%0.09330%0.297CS..  trans-65.3125171.9-171.8168.3129.200110.1R268 I295 D296 Y303 Q308R268-E306 IonicContact CZ-OE1 2.74Å; R268-E306 VanDerWaalsContact CZ-OE1 3.28Å; R268-E306 IonicContact CZ-OE2 3.64Å; R268-E306 IonicContact NE-OE1 2.84Å; R268-E306 PolarHBondContact NE-OE1 3.5Å; R268-E306 IonicContact NE-OE2 3.66Å; R268-E306 VanDerWaalsContact NH2-CD 3.29Å; R268-E306 IonicContact NH2-OE1 3.38Å; R268-E306 PolarHBondContact NH2-OE1 2.96Å; R268-E306 IonicContact NH2-OE2 3.54Å; R268-E306 PolarHBondContact NH2-OE2 2.81Å; I295-E306 CarbonylContact C-O 3.48Å; I295-E306 WeakPolarHBondContact CA-O 3.37Å; D296-E306 HydrophobicContact CB-CB 4.2Å; D296-E306 PolarHBondContact N-O 3.23Å; Y303-E306 WeakPolarHBondContact O-CB 3.47Å; Y303-E306 PolarHBondContact O-N 2.69Å; E306-Q308 HydrophobicContact CG-CG 4.31Å; E306-Q308 PolarHBondContact OE1-NE2 2.75Å; E306-Q308 VanDerWaalsContact OE1-NE2 3.07Å
307I97Very high95.4Very high4 Ų460.8 Ų60.82%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-102.1132.5-177.4-63.5161.4000109.3V252 S269 A272 K275 I277 T294 I295 G305V252-I307 HydrophobicContact CB-CG2 4.3Å; V252-I307 HydrophobicContact CG1-CG2 3.56Å; V252-I307 HydrophobicContact CG2-CD1 4.44Å; V252-I307 HydrophobicContact CG2-CG1 4.17Å; V252-I307 HydrophobicContact CG2-CG2 4.09Å; S269-I307 PolarHBondContact N-O 3.18Å; A272-I307 HydrophobicContact CB-CB 4.02Å; A272-I307 HydrophobicContact CB-CD1 3.74Å; A272-I307 HydrophobicContact CB-CG1 3.91Å; K275-I307 HydrophobicContact CD-CD1 4.37Å; I277-I307 HydrophobicContact CD1-CD1 4.13Å; T294-I307 WeakPolarHBondContact O-CA 3.43Å; I295-I307 HydrophobicContact CD1-CG1 4.26Å; I295-I307 HydrophobicContact CG1-CG1 4.2Å; G305-I307 PolarHBondContact O-N 3.23Å
308Q97.3Very high95.4Very high18 Ų1865.7 Ų65.78%0.08433%0.327CS..EExtended strand (participates in β ladder)trans-136.2152.8-175.8-53.4167.4-1.300112.3V266 I267 R268 T294 E306V266-Q308 HydrophobicContact CB-CB 4.18Å; V266-Q308 HydrophobicContact CG1-CB 4.31Å; I267-Q308 CarbonylContact O-C 3.57Å; I267-Q308 WeakPolarHBondContact O-CA 3.49Å; R268-Q308 HydrophobicContact CG-CG 4.41Å; T294-Q308 PolarHBondContact N-O 2.95Å; T294-Q308 PolarHBondContact O-N 2.99Å; T294-Q308 WeakPolarHBondContact OG1-CB 3.38Å; E306-Q308 HydrophobicContact CG-CG 4.31Å; E306-Q308 PolarHBondContact OE1-NE2 2.75Å; E306-Q308 VanDerWaalsContact OE1-NE2 3.07Å
309I96.1Very high95.4Very high40 Ų4067 Ų6721%0.20533%0.326CS..EExtended strand (participates in β ladder)trans-118.4126.6163.8-57.2177.2000108.1L240 V266 I267 A292 K311L240-I309 HydrophobicContact CD1-CD1 3.79Å; V266-I309 CarbonylContact C-O 3.57Å; V266-I309 VanDerWaalsContact CA-O 3.26Å; V266-I309 WeakPolarHBondContact CA-O 3.35Å; I267-I309 HydrophobicContact CB-CB 4.2Å; I267-I309 PolarHBondContact N-O 2.84Å; I267-I309 PolarHBondContact O-N 2.92Å; A292-I309 WeakPolarHBondContact O-CA 3.26Å; I309-K311 PolarHBondContact O-N 2.84Å
310V96.7Very high95.5Very high2 Ų262.5 Ų62.51%0.01231%0.307CS..EExtended strand (participates in β ladder)trans-76.8123.4-173.5177.90000111.2V266 R288 D289 G291 A292 T294 R312 L314V266-V310 HydrophobicContact CG1-CG2 4.31Å; R288-V310 HydrophobicContact CB-CG2 4.12Å; D289-V310 WeakPolarHBondContact O-CB 3.44Å; D289-V310 WeakPolarHBondContact O-CG1 2.84Å; G291-V310 PolarHBondContact N-O 3.23Å; A292-V310 HydrophobicContact CB-CB 4.16Å; A292-V310 HydrophobicContact CB-CG2 3.95Å; A292-V310 WeakPolarHBondContact O-CG2 3.46Å; A292-V310 PolarHBondContact O-N 3.46Å; T294-V310 HydrophobicContact CG2-CG2 4.12Å; V310-R312 WeakPolarHBondContact CG1-O 3.45Å; V310-L314 HydrophobicContact CG1-CD1 4.32Å; V310-L314 HydrophobicContact CG1-CG 4.42Å
311K92.5Very high95.6Very high66 Ų6659 Ų5929%0.28729%0.294SS..SBendtrans-92.9-26.2177.2-60.9-167.1-611770113E262 A263 R264 D265 I267 I309E262-K311 IonicContact OE1-NZ 3.89Å; E262-K311 PolarHBondContact OE1-NZ 2.88Å; A263-K311 WeakPolarHBondContact O-CE 3.49Å; A263-K311 PolarHBondContact O-NZ 3.33Å; R264-K311 WeakPolarHBondContact O-CE 3.26Å; R264-K311 PolarHBondContact O-NZ 3.25Å; D265-K311 WeakPolarHBondContact O-CB 3.34Å; D265-K311 PolarHBondContact O-N 2.82Å; I267-K311 HydrophobicContact CG1-CD 3.96Å; I267-K311 HydrophobicContact CG1-CG 4.02Å; I309-K311 PolarHBondContact O-N 2.84Å
312R92.5Very high95.7Very high138 Ų13852.6 Ų52.652%0.52126%0.26SS..SBendtrans-133.7144.5-178.9-64.4-175.1178.1-160.2-3.4109.3D265 V310 L314D265-R312 PolarHBondContact O-N 3.3Å; D265-R312 WeakPolarHBondContact OD1-CD 3.48Å; V310-R312 WeakPolarHBondContact CG1-O 3.45Å; R312-L314 WeakPolarHBondContact O-CG 3.49Å; R312-L314 PolarHBondContact O-N 2.94Å
313A93.6Very high95.9Very high64 Ų6442.4 Ų42.453%0.52922%0.222SC..  trans-57.5124.9178.500000110.6R288R288-A313 WeakPolarHBondContact O-CA 3.44Å
314L96.3Very high95.9Very high31 Ų3138.5 Ų38.516%0.16221%0.207CC..BIsolated β-bridgetrans-118.1148.2-179.1-70.1173.7000110.2D265 V266 R288 V310 R312D265-L314 HydrophobicContact CB-CD1 4.25Å; D265-L314 HydrophobicContact CB-CD2 4.16Å; V266-L314 HydrophobicContact CG1-CD1 3.98Å; R288-L314 HydrophobicContact CB-CB 3.86Å; R288-L314 PolarHBondContact N-O 2.87Å; R288-L314 PolarHBondContact O-N 3.29Å; V310-L314 HydrophobicContact CG1-CD1 4.32Å; V310-L314 HydrophobicContact CG1-CG 4.42Å; R312-L314 WeakPolarHBondContact O-CG 3.49Å; R312-L314 PolarHBondContact O-N 2.94Å
315P95Very high95.8Very high93 Ų9337 Ų3760%0.60420%0.199SC*.  trans-63160.1175.628.1-35000110.9R288R288-P315 VanDerWaalsContact CZ-O 3.26Å; R288-P315 PolarHBondContact NE-O 3.04Å; R288-P315 PolarHBondContact NH2-O 2.97Å
316A96Very high95.3Very high55 Ų5540.9 Ų40.946%0.45521%0.212SC..  trans-55.7139.5170.100000110.8V285 R286V285-A316 HydrophobicContact CG1-CB 3.49Å; V285-A316 VanDerWaalsContact CG1-CB 3.49Å; R286-A316 WeakPolarHBondContact O-CA 3.36Å
317D97.1Very high94.1Very high29 Ų2943.6 Ų43.616%0.15523%0.229CC..  trans-138.1120.5174.8-170.7-29.4000109.4K319 V320D317-K319 PolarHBondContact O-N 2.91Å; D317-K319 VanDerWaalsContact O-N 3.1Å; D317-K319 WeakPolarHBondContact OD1-CB 2.94Å; D317-K319 WeakPolarHBondContact OD1-CG 3.39Å; D317-K319 PolarHBondContact OD1-N 3.4Å; D317-K319 IonicContact OD1-NZ 2.85Å; D317-K319 PolarHBondContact OD1-NZ 3.31Å; D317-K319 IonicContact OD2-NZ 3.86Å; D317-K319 PolarHBondContact OD2-NZ 2.84Å; D317-V320 HydrophobicContact CB-CB 4.26Å; D317-V320 HydrophobicContact CB-CG2 4.01Å; D317-V320 PolarHBondContact O-N 2.95Å; D317-V320 VanDerWaalsContact O-O 3.13Å
318E97Very high92.3Very high104 Ų10449.7 Ų49.749%0.48625%0.252SS..THydrogen-bonded Turntrans-63.3-14.4-179.564.1167165.400114.5V285 N297 K299V285-E318 HydrophobicContact CG2-CB 3.88Å; N297-E318 PolarHBondContact ND2-O 2.99Å; K299-E318 HydrophobicContact CD-CG 4.43Å; K299-E318 IonicContact NZ-OE2 3.41Å; K299-E318 PolarHBondContact NZ-OE2 3.42Å
319K97.7Very high89.9Confident59 Ų5956.4 Ų56.426%0.25728%0.281SS..THydrogen-bonded Turntrans-89.2-6.5177.5-53.8177.8-63-56.60112.2N297 K299 Y300 D317N297-K319 VanDerWaalsContact CG-C 3.49Å; N297-K319 VanDerWaalsContact CG-O 3.23Å; N297-K319 PolarHBondContact N-O 3.27Å; N297-K319 PolarHBondContact ND2-O 3.43Å; N297-K319 PolarHBondContact OD1-O 2.89Å; K299-K319 HydrophobicContact CB-CB 4.29Å; K299-K319 HydrophobicContact CB-CG 3.9Å; Y300-K319 HydrophobicContact CD2-CB 3.23Å; Y300-K319 HydrophobicContact CD2-CD 4.26Å; Y300-K319 HydrophobicContact CD2-CG 4.33Å; Y300-K319 WeakPolarHBondContact CD2-O 3.44Å; Y300-K319 HydrophobicContact CE2-CB 3.8Å; Y300-K319 HydrophobicContact CE2-CD 4.42Å; Y300-K319 HydrophobicContact CG-CB 3.82Å; Y300-K319 HydrophobicContact CG-CD 4.34Å; D317-K319 PolarHBondContact O-N 2.91Å; D317-K319 VanDerWaalsContact O-N 3.1Å; D317-K319 WeakPolarHBondContact OD1-CB 2.94Å; D317-K319 WeakPolarHBondContact OD1-CG 3.39Å; D317-K319 PolarHBondContact OD1-N 3.4Å; D317-K319 IonicContact OD1-NZ 2.85Å; D317-K319 PolarHBondContact OD1-NZ 3.31Å; D317-K319 IonicContact OD2-NZ 3.86Å; D317-K319 PolarHBondContact OD2-NZ 2.84Å
320V97.8Very high87.2Confident5 Ų564.9 Ų64.93%0.0331%0.31CS..EExtended strand (participates in β ladder)trans-124.7114.4-173.1-175.40000109.9T294 Y300 D317T294-V320 HydrophobicContact CG2-CG1 3.98Å; Y300-V320 HydrophobicContact CD2-CG2 3.89Å; Y300-V320 HydrophobicContact CE2-CG2 3.67Å; D317-V320 HydrophobicContact CB-CB 4.26Å; D317-V320 HydrophobicContact CB-CG2 4.01Å; D317-V320 PolarHBondContact O-N 2.95Å; D317-V320 VanDerWaalsContact O-O 3.13Å
321N97.9Very high84.3Confident2 Ų272.7 Ų72.71%0.01135%0.349CS..EExtended strand (participates in β ladder)trans-82127.9175.8-69-9.4000109.7Q248 E281 L283 T294 I295 N297 V323Q248-N321 PolarHBondContact NE2-ND2 2.88Å; Q248-N321 PolarHBondContact OE1-ND2 2.89Å; E281-N321 PolarHBondContact O-ND2 3.44Å; L283-N321 HydrophobicContact CB-CB 4.34Å; L283-N321 HydrophobicContact CD1-CB 4.02Å; L283-N321 HydrophobicContact CG-CB 4.17Å; L283-N321 PolarHBondContact N-OD1 3.28Å; T294-N321 CarbonylContact C-O 3.56Å; T294-N321 WeakPolarHBondContact CA-O 3.28Å; T294-N321 VanDerWaalsContact CB-O 3.28Å; T294-N321 WeakPolarHBondContact CB-O 3.13Å; I295-N321 HydrophobicContact CG2-CB 3.95Å; I295-N321 PolarHBondContact N-O 2.83Å; I295-N321 WeakPolarHBondContact O-CB 3.43Å; I295-N321 PolarHBondContact O-N 2.92Å; N297-N321 PolarHBondContact ND2-OD1 3.26Å; N321-V323 HydrophobicContact CB-CG1 4.05Å
322V96.9Very high82Confident7 Ų774.8 Ų74.84%0.04236%0.362CS..EExtended strand (participates in β ladder)trans-88.4106.2167.3-176.60000107.7F245 R286 R288 A292 T294F245-V322 HydrophobicContact CD2-CG1 4.06Å; F245-V322 HydrophobicContact CE2-CG1 4.24Å; R286-V322 HydrophobicContact CB-CB 4.07Å; R286-V322 HydrophobicContact CB-CG2 3.87Å; R288-V322 HydrophobicContact CG-CG2 3.79Å; A292-V322 HydrophobicContact CB-CG1 4.19Å; T294-V322 HydrophobicContact CG2-CG2 4.08Å
323V96.1Very high79.9Confident0 Ų072.1 Ų72.10%036%0.358CS..EExtended strand (participates in β ladder)trans-101.6-11.1-172.6-63.50000113F245 Q248 I249 V252 L283 V293 I295 N321F245-V323 PolarHBondContact N-O 2.93Å; Q248-V323 HydrophobicContact CB-CB 4.42Å; Q248-V323 HydrophobicContact CB-CG1 3.58Å; I249-V323 HydrophobicContact CD1-CB 4.44Å; I249-V323 HydrophobicContact CD1-CG2 3.93Å; V252-V323 HydrophobicContact CG2-CG2 3.7Å; L283-V323 HydrophobicContact CD1-CG1 4.23Å; V293-V323 HydrophobicContact CG1-CG2 4.17Å; V293-V323 WeakPolarHBondContact O-CG2 3.16Å; V293-V323 PolarHBondContact O-N 3.27Å; I295-V323 HydrophobicContact CG2-CG1 3.58Å; I295-V323 HydrophobicContact CG2-CG2 4.44Å; N321-V323 HydrophobicContact CB-CG1 4.05Å
324G93.8Very high78.3Confident0 Ų072.5 Ų72.50%035%0.351CS..EExtended strand (participates in β ladder)trans-172.8-179.1172.800000112.6E243 V293E243-G324 CarbonylContact O-C 3.47Å; E243-G324 WeakPolarHBondContact O-CA 3.5Å; V293-G324 PolarHBondContact N-O 3.04Å; V293-G324 PolarHBondContact O-N 2.88Å
325Q92.3Very high76.3Confident33 Ų3378.1 Ų78.115%0.15438%0.376CS..EExtended strand (participates in β ladder)trans-136.1133.5179.6179.662.740.200108.7V242 E243 F245 V290 A292 V327V242-Q325 CarbonylContact C-O 3.6Å; V242-Q325 WeakPolarHBondContact CA-O 3.45Å; E243-Q325 PolarHBondContact N-O 2.88Å; E243-Q325 PolarHBondContact O-N 3.09Å; F245-Q325 HydrophobicContact CE1-CB 4.25Å; F245-Q325 HydrophobicContact CE2-CB 3.71Å; F245-Q325 HydrophobicContact CZ-CB 3.4Å; F245-Q325 HydrophobicContact CZ-CG 4.37Å; V290-Q325 PolarHBondContact O-NE2 3.38Å; A292-Q325 VanDerWaalsContact CA-OE1 3.27Å; Q325-V327 PolarHBondContact O-N 3.38Å
326R85.1Confident74.6Confident89 Ų8978.9 Ų78.934%0.33638%0.375SS..EExtended strand (participates in β ladder)trans-55.7125.5170179.9-176.5170.1-175.4-1.3108.6R241 G291 W328R241-R326 WeakPolarHBondContact O-CA 3.49Å; G291-R326 WeakPolarHBondContact O-CB 3.33Å; G291-R326 PolarHBondContact O-N 2.98Å; R326-W328 PolarHBondContact O-N 2.85Å
327V71.6Confident73.5Confident76 Ų7677.2 Ų77.246%0.46136%0.358SS..  trans-68.9105.9174.8-177.40000107.3R241 E243 Q325R241-V327 HydrophobicContact CB-CB 4.35Å; R241-V327 HydrophobicContact CB-CG2 4.41Å; R241-V327 PolarHBondContact O-N 3.25Å; E243-V327 HydrophobicContact CB-CG2 4.03Å; Q325-V327 PolarHBondContact O-N 3.38Å
328W58.8Low72.6Confident133 Ų13376.6 Ų76.650%0.50436%0.356SS..  trans-79.5123.2162.9-6095.2000105.9V290 R326 R330V290-W328 HydrophobicContact CG1-CZ2 4.22Å; R326-W328 PolarHBondContact O-N 2.85Å; W328-R330 PolarHBondContact O-N 3.16Å
329K47.8Very low71.7Confident158 Ų15871.8 Ų71.869%0.68733%0.333SS*.  trans-64.993.5155.8-156.1173.8-170.7170.80104.4E224 M331E224-K329 IonicContact OE2-NZ 3.64Å; E224-K329 PolarHBondContact OE2-NZ 2.86Å; K329-M331 PolarHBondContact O-N 3.47Å
330R39.6Very low70.9Confident218 Ų21872 Ų7282%0.82334%0.336SS*.  trans-52.9118.3162.9-89.5-179.1167.8176.4-2.8103.3W328 I332W328-R330 PolarHBondContact O-N 3.16Å; R330-I332 VanDerWaalsContact C-N 3.29Å; R330-I332 PolarHBondContact O-N 3.23Å
331M35.4Very low70.2Confident166 Ų16677.5 Ų77.582%0.81836%0.356SS*.  trans-49.3110.7160.9-81.9173.581.200104.5K329 N333K329-M331 PolarHBondContact O-N 3.47Å; M331-N333 VanDerWaalsContact C-N 3.33Å; M331-N333 PolarHBondContact O-N 3.32Å
332I44.4Very low69.7Low111 Ų11184.5 Ų84.557%0.56938%0.382SS*.  trans-63.9106.8178.2-60.7-179.1000103.1R330 L334R330-I332 VanDerWaalsContact C-N 3.29Å; R330-I332 PolarHBondContact O-N 3.23Å; I332-L334 HydrophobicContact CB-CD2 4.44Å; I332-L334 HydrophobicContact CB-CG 4.26Å; I332-L334 HydrophobicContact CG2-CD2 3.45Å; I332-L334 VanDerWaalsContact CG2-CD2 3.45Å; I332-L334 HydrophobicContact CG2-CG 3.72Å; I332-L334 PolarHBondContact O-N 2.74Å
333N47.6Very low69.3Low82 Ų8284.8 Ų84.844%0.43938%0.383SS..  trans-73.181.5175.6-168.8-17.6000107M331 E335 N336M331-N333 VanDerWaalsContact C-N 3.33Å; M331-N333 PolarHBondContact O-N 3.32Å; N333-E335 WeakPolarHBondContact OD1-CB 3.46Å; N333-E335 PolarHBondContact OD1-N 3.11Å; N333-N336 PolarHBondContact ND2-ND2 3.39Å
334L59.7Low68.9Low72 Ų7292.9 Ų92.938%0.37742%0.421SS..  trans-68.2-29.6175-68.4175.4000109.8I332 N336 L337 E340I332-L334 HydrophobicContact CB-CD2 4.44Å; I332-L334 HydrophobicContact CB-CG 4.26Å; I332-L334 HydrophobicContact CG2-CD2 3.45Å; I332-L334 VanDerWaalsContact CG2-CD2 3.45Å; I332-L334 HydrophobicContact CG2-CG 3.72Å; I332-L334 PolarHBondContact O-N 2.74Å; L334-N336 PolarHBondContact O-N 3.14Å; L334-L337 HydrophobicContact CD2-CD1 4.19Å; L334-L337 WeakPolarHBondContact O-CB 3.22Å; L334-L337 PolarHBondContact O-N 3.03Å; L334-E340 HydrophobicContact CB-CB 4.11Å; L334-E340 HydrophobicContact CB-CG 4Å; L334-E340 HydrophobicContact CD2-CG 4.07Å; L334-E340 WeakPolarHBondContact O-CB 3.26Å
335E54.2Low68.6Low148 Ų14896.5 Ų96.569%0.69244%0.443SS*.THydrogen-bonded Turntrans-56.7-28.5-176.4-56-177.2164.100113.3N333 R341N333-E335 WeakPolarHBondContact OD1-CB 3.46Å; N333-E335 PolarHBondContact OD1-N 3.11Å; E335-R341 WeakPolarHBondContact O-CG 3.47Å
336N60.7Low68.5Low109 Ų10995.5 Ų95.558%0.58344%0.439SS*.THydrogen-bonded Turntrans-77.3-21.8178-73.2-20.6000114.1N333 L334 R341N333-N336 PolarHBondContact ND2-ND2 3.39Å; L334-N336 PolarHBondContact O-N 3.14Å; N336-R341 PolarHBondContact O-NH2 3.27Å
337L73Confident68.6Low20 Ų2096.5 Ų96.511%0.10545%0.446CS..SBendtrans-75.6128.6178.8-66.9-176.9000110.7L334 T339 E340 R341 N498L334-L337 HydrophobicContact CD2-CD1 4.19Å; L334-L337 WeakPolarHBondContact O-CB 3.22Å; L334-L337 PolarHBondContact O-N 3.03Å; L337-T339 PolarHBondContact O-N 2.88Å; L337-E340 HydrophobicContact CB-CB 4.23Å; L337-E340 HydrophobicContact CB-CG 4Å; L337-E340 HydrophobicContact CD1-CG 4.03Å; L337-E340 PolarHBondContact O-N 2.96Å; L337-R341 WeakPolarHBondContact O-CG 3.45Å; L337-R341 PolarHBondContact O-N 3.05Å; L337-N498 HydrophobicContact CD2-CB 4.23Å
338T78.1Confident69.4Low17 Ų1794.1 Ų94.110%0.10444%0.438CS..G310 helixtrans-55.5-38.1174.1-56.20000111.5E340 R341 N498 D514 G516T338-E340 PolarHBondContact O-N 3.22Å; T338-R341 PolarHBondContact O-N 2.91Å; T338-N498 PolarHBondContact N-OD1 2.89Å; T338-D514 WeakPolarHBondContact CG2-OD1 3.36Å; T338-D514 PolarHBondContact OG1-OD2 3.48Å; T338-G516 VanDerWaalsContact CG2-C 3.43Å; T338-G516 VanDerWaalsContact CG2-CA 3.47Å
339T77.3Confident71Confident2 Ų289.8 Ų89.81%0.01242%0.424CS..G310 helixtrans-62.2-22.4178.755.20000114.9L337 C497 N498 G522 T524L337-T339 PolarHBondContact O-N 2.88Å; T339-C497 HydrophobicContact CG2-CB 4.06Å; T339-N498 WeakPolarHBondContact CG2-ND2 3.48Å; T339-N498 PolarHBondContact N-OD1 3.22Å; T339-N498 VanDerWaalsContact N-OD1 3.11Å; T339-N498 PolarHBondContact OG1-ND2 3.34Å; T339-G522 WeakPolarHBondContact O-CA 3.17Å; T339-T524 HydrophobicContact CG2-CG2 3.87Å
340E80.9Confident73.1Confident65 Ų6589.3 Ų89.330%0.30443%0.429SS..G310 helixtrans-108.3-5.9-177.5-57.9-62.614800112.7L334 L337 T338L334-E340 HydrophobicContact CB-CB 4.11Å; L334-E340 HydrophobicContact CB-CG 4Å; L334-E340 HydrophobicContact CD2-CG 4.07Å; L334-E340 WeakPolarHBondContact O-CB 3.26Å; L337-E340 HydrophobicContact CB-CB 4.23Å; L337-E340 HydrophobicContact CB-CG 4Å; L337-E340 HydrophobicContact CD1-CG 4.03Å; L337-E340 PolarHBondContact O-N 2.96Å; T338-E340 PolarHBondContact O-N 3.22Å
341R83Confident75.7Confident119 Ų11987 Ų8745%0.44943%0.427SS..SBendtrans-68.5146.8174.1-75.4179.1-165.6177.511.5109.9E335 N336 L337 T338 P517E335-R341 WeakPolarHBondContact O-CG 3.47Å; N336-R341 PolarHBondContact O-NH2 3.27Å; L337-R341 WeakPolarHBondContact O-CG 3.45Å; L337-R341 PolarHBondContact O-N 3.05Å; T338-R341 PolarHBondContact O-N 2.91Å; R341-P517 HydrophobicContact CB-CB 4.42Å; R341-P517 HydrophobicContact CB-CG 3.94Å; R341-P517 WeakPolarHBondContact O-CB 3.49Å
342R88.1Confident78.5Confident150 Ų15081.6 Ų81.657%0.56640%0.401SS*.  trans-72.9139.3172.1-65.1-170.266.6-176.1-1.6109.8E344 F347 T521R342-E344 PolarHBondContact O-N 3.47Å; R342-F347 HydrophobicContact CB-CE2 4.03Å; R342-T521 HydrophobicContact CG-CG2 3.96Å
343N88.3Confident80.9Confident12 Ų1279 Ų796%0.06439%0.393CS..  trans-84.3111172.6-170.7-9.9000110.4T345 T346 F347 E364 P517 E518N343-T345 VanDerWaalsContact CG-OG1 3.25Å; N343-T345 PolarHBondContact ND2-OG1 3.36Å; N343-T345 PolarHBondContact O-N 3.36Å; N343-T345 PolarHBondContact OD1-N 3.04Å; N343-T345 VanDerWaalsContact OD1-N 3.12Å; N343-T345 PolarHBondContact OD1-OG1 3.31Å; N343-T346 HydrophobicContact CB-CG2 4.19Å; N343-T346 WeakPolarHBondContact CB-OG1 3.33Å; N343-T346 PolarHBondContact O-N 2.97Å; N343-T346 PolarHBondContact O-OG1 2.77Å; N343-F347 WeakPolarHBondContact O-CD2 3.42Å; N343-E364 PolarHBondContact ND2-OE1 3.36Å; N343-E364 PolarHBondContact ND2-OE2 3.29Å; N343-P517 HydrophobicContact CB-CB 3.65Å; N343-P517 PolarHBondContact ND2-O 3.41Å; N343-E518 WeakPolarHBondContact CB-O 3.38Å
344E88.1Confident83.2Confident170 Ų17080.9 Ų80.979%0.79441%0.407SS*.G310 helixtrans-58.3-30-179.6-64.9-176.5178.300112.9R342 T346R342-E344 PolarHBondContact O-N 3.47Å; E344-T346 PolarHBondContact O-N 3.38Å
345T86.8Confident85Confident77 Ų7780.4 Ų80.447%0.47241%0.414SS..G310 helixtrans-70.5-20.5178.766.70000112.8N343 L360 E364N343-T345 VanDerWaalsContact CG-OG1 3.25Å; N343-T345 PolarHBondContact ND2-OG1 3.36Å; N343-T345 PolarHBondContact O-N 3.36Å; N343-T345 PolarHBondContact OD1-N 3.04Å; N343-T345 VanDerWaalsContact OD1-N 3.12Å; N343-T345 PolarHBondContact OD1-OG1 3.31Å; T345-L360 WeakPolarHBondContact O-CD2 3.32Å; T345-E364 PolarHBondContact OG1-OE1 3.02Å
346T89.6Confident87Confident11 Ų1178.3 Ų78.37%0.06740%0.404CS..G310 helixtrans-106.514.6-175.967.40000113.4N343 E344 G348 L349 L360 F519N343-T346 HydrophobicContact CB-CG2 4.19Å; N343-T346 WeakPolarHBondContact CB-OG1 3.33Å; N343-T346 PolarHBondContact O-N 2.97Å; N343-T346 PolarHBondContact O-OG1 2.77Å; E344-T346 PolarHBondContact O-N 3.38Å; T346-G348 PolarHBondContact O-N 3.16Å; T346-L349 WeakPolarHBondContact O-CB 3.29Å; T346-L349 PolarHBondContact O-N 3.5Å; T346-L349 VanDerWaalsContact O-N 3.09Å; T346-L360 HydrophobicContact CG2-CD2 3.83Å; T346-L360 HydrophobicContact CG2-CG 4.34Å; T346-F519 HydrophobicContact CG2-CD2 3.76Å; T346-F519 HydrophobicContact CG2-CE2 4.28Å; T346-F519 HydrophobicContact CG2-CG 4.42Å; T346-F519 PolarHBondContact OG1-O 3.28Å
347F87.6Confident88.7Confident110 Ų11074.2 Ų74.248%0.48239%0.385SS..THydrogen-bonded Turntrans-60.8130.4172.8-91.6-123.5000110.1R342 N343R342-F347 HydrophobicContact CB-CE2 4.03Å; N343-F347 WeakPolarHBondContact O-CD2 3.42Å
348G89Confident89.8Confident27 Ų2777.6 Ų77.628%0.27841%0.406SS..THydrogen-bonded Turntrans78.722-173.100000114.3T346 D350 E351 M352T346-G348 PolarHBondContact O-N 3.16Å; G348-D350 PolarHBondContact O-N 2.89Å; G348-D350 VanDerWaalsContact O-N 3.12Å; G348-E351 WeakPolarHBondContact O-CB 3.43Å; G348-E351 PolarHBondContact O-N 3.47Å; G348-M352 PolarHBondContact O-N 3.15Å
349L91.7Very high90.7Very high42 Ų4282.6 Ų82.622%0.2243%0.428CS..THydrogen-bonded Turntrans-50.5-35.9179.9179.362.6000113.7T346 E351 M352 A357 F519 L520T346-L349 WeakPolarHBondContact O-CB 3.29Å; T346-L349 PolarHBondContact O-N 3.5Å; T346-L349 VanDerWaalsContact O-N 3.09Å; L349-E351 VanDerWaalsContact C-N 3.26Å; L349-E351 PolarHBondContact O-N 3.37Å; L349-M352 HydrophobicContact CD1-SD 4.1Å; L349-M352 PolarHBondContact O-N 2.85Å; L349-A357 HydrophobicContact CD1-CB 4.4Å; L349-F519 HydrophobicContact CD1-CE1 3.7Å; L349-F519 HydrophobicContact CD1-CE2 3.73Å; L349-F519 HydrophobicContact CD1-CZ 3.2Å; L349-F519 HydrophobicContact CD2-CD1 4.15Å; L349-F519 HydrophobicContact CD2-CE1 3.78Å; L349-F519 HydrophobicContact CD2-CZ 4.16Å; L349-F519 HydrophobicContact CG-CE1 4.36Å; L349-F519 HydrophobicContact CG-CZ 4.31Å; L349-L520 HydrophobicContact CD2-CD1 4.48Å
350D92.9Very high91.5Very high148 Ų14883.6 Ų83.679%0.79143%0.433SS*.THydrogen-bonded Turntrans-74.6-12179.658.6-43.2000114.3G348G348-D350 PolarHBondContact O-N 2.89Å; G348-D350 VanDerWaalsContact O-N 3.12Å
351E93.8Very high92.3Very high168 Ų16883.6 Ų83.679%0.78543%0.434SS*.THydrogen-bonded Turntrans-99.6-14.5176-57.4-179.5171.900112.6G348 L349G348-E351 WeakPolarHBondContact O-CB 3.43Å; G348-E351 PolarHBondContact O-N 3.47Å; L349-E351 VanDerWaalsContact C-N 3.26Å; L349-E351 PolarHBondContact O-N 3.37Å
352M93Very high93Very high53 Ų5382.1 Ų82.126%0.26144%0.435SS..SBendtrans-67.9145.5-179.6-66.1-177.7-175.700111.8G348 L349 E356 A357 L360G348-M352 PolarHBondContact O-N 3.15Å; L349-M352 HydrophobicContact CD1-SD 4.1Å; L349-M352 PolarHBondContact O-N 2.85Å; M352-E356 HydrophobicContact CB-CB 4.21Å; M352-A357 HydrophobicContact CB-CB 4.49Å; M352-L360 HydrophobicContact CE-CD2 3.75Å; M352-L360 HydrophobicContact SD-CD2 3.87Å
353S96Very high93.3Very high57 Ų5780.3 Ų80.340%0.39943%0.433SS..  trans-65.2155.6166.770.50000110.8A355 E356 A357S353-A355 PolarHBondContact O-N 2.87Å; S353-A355 VanDerWaalsContact O-N 3.14Å; S353-E356 VanDerWaalsContact CB-OE2 3.25Å; S353-E356 WeakPolarHBondContact CB-OE2 3.45Å; S353-E356 PolarHBondContact N-OE2 3.3Å; S353-E356 PolarHBondContact O-N 3.24Å; S353-E356 VanDerWaalsContact O-N 3.09Å; S353-E356 VanDerWaalsContact OG-CD 3.28Å; S353-E356 WeakPolarHBondContact OG-CG 3.32Å; S353-E356 PolarHBondContact OG-N 2.72Å; S353-E356 PolarHBondContact OG-OE2 2.81Å; S353-A357 PolarHBondContact O-N 3.35Å
354V96.5Very high93.7Very high121 Ų12180.5 Ų80.573%0.73343%0.434SS*.Hα-helixtrans-54.7-36.1176.3176.50000111.7V358V354-V358 HydrophobicContact CG1-CG2 4.33Å; V354-V358 WeakPolarHBondContact O-CB 3.38Å; V354-V358 VanDerWaalsContact O-CG2 3.24Å; V354-V358 WeakPolarHBondContact O-CG2 3.35Å; V354-V358 PolarHBondContact O-N 3.22Å
355A97.3Very high94.1Very high63 Ų6375 Ų7552%0.52141%0.409SS..Hα-helixtrans-66.2-43.8179.200000112.2S353 Q359S353-A355 PolarHBondContact O-N 2.87Å; S353-A355 VanDerWaalsContact O-N 3.14Å; A355-Q359 WeakPolarHBondContact O-CG 3.37Å; A355-Q359 PolarHBondContact O-N 3.29Å; A355-Q359 VanDerWaalsContact O-N 3.11Å
356E95.5Very high94.4Very high104 Ų10476.9 Ų76.949%0.48641%0.413SS..Hα-helixtrans-66-46176.8-70.8159.9141.600111M352 S353 V358 Q359 L360M352-E356 HydrophobicContact CB-CB 4.21Å; S353-E356 VanDerWaalsContact CB-OE2 3.25Å; S353-E356 WeakPolarHBondContact CB-OE2 3.45Å; S353-E356 PolarHBondContact N-OE2 3.3Å; S353-E356 PolarHBondContact O-N 3.24Å; S353-E356 VanDerWaalsContact O-N 3.09Å; S353-E356 VanDerWaalsContact OG-CD 3.28Å; S353-E356 WeakPolarHBondContact OG-CG 3.32Å; S353-E356 PolarHBondContact OG-N 2.72Å; S353-E356 PolarHBondContact OG-OE2 2.81Å; E356-V358 VanDerWaalsContact C-N 3.34Å; E356-V358 PolarHBondContact O-N 3.32Å; E356-Q359 PolarHBondContact O-N 3.3Å; E356-L360 WeakPolarHBondContact O-CB 3.35Å; E356-L360 PolarHBondContact O-N 3.15Å
357A96.1Very high94.5Very high22 Ų2280.2 Ų80.218%0.18243%0.43CS..Hα-helixtrans-59.7-42.617900000112.1L349 M352 S353 M361 F519L349-A357 HydrophobicContact CD1-CB 4.4Å; M352-A357 HydrophobicContact CB-CB 4.49Å; S353-A357 PolarHBondContact O-N 3.35Å; A357-M361 VanDerWaalsContact O-CB 3.29Å; A357-M361 WeakPolarHBondContact O-CB 3.48Å; A357-M361 PolarHBondContact O-N 2.74Å; A357-F519 HydrophobicContact CB-CZ 4.3Å; A357-F519 WeakPolarHBondContact O-CZ 3.46Å
358V96.6Very high95Very high91 Ų9175 Ų7555%0.55241%0.407SS*.Hα-helixtrans-66.7-42.1176.8170.10000111.6V354 E356 N362V354-V358 HydrophobicContact CG1-CG2 4.33Å; V354-V358 WeakPolarHBondContact O-CB 3.38Å; V354-V358 VanDerWaalsContact O-CG2 3.24Å; V354-V358 WeakPolarHBondContact O-CG2 3.35Å; V354-V358 PolarHBondContact O-N 3.22Å; E356-V358 VanDerWaalsContact C-N 3.34Å; E356-V358 PolarHBondContact O-N 3.32Å; V358-N362 WeakPolarHBondContact O-CB 3.41Å; V358-N362 PolarHBondContact O-N 3.2Å
359Q96.4Very high95.4Very high123 Ų12377 Ų7758%0.57542%0.416SS*.Hα-helixtrans-62.9-45.3176.8-75.6177.30.500111.5A355 E356 N362 Q363A355-Q359 WeakPolarHBondContact O-CG 3.37Å; A355-Q359 PolarHBondContact O-N 3.29Å; A355-Q359 VanDerWaalsContact O-N 3.11Å; E356-Q359 PolarHBondContact O-N 3.3Å; Q359-N362 PolarHBondContact O-N 2.98Å; Q359-Q363 WeakPolarHBondContact O-CG 3.47Å; Q359-Q363 PolarHBondContact O-N 2.95Å
360L95.2Very high95.7Very high23 Ų2380.5 Ų80.512%0.1243%0.434CS..Hα-helixtrans-68.2-41.6-179.5-174.860.8000111.8T345 T346 M352 E356 N362 Q363 E364 F519T345-L360 WeakPolarHBondContact O-CD2 3.32Å; T346-L360 HydrophobicContact CG2-CD2 3.83Å; T346-L360 HydrophobicContact CG2-CG 4.34Å; M352-L360 HydrophobicContact CE-CD2 3.75Å; M352-L360 HydrophobicContact SD-CD2 3.87Å; E356-L360 WeakPolarHBondContact O-CB 3.35Å; E356-L360 PolarHBondContact O-N 3.15Å; L360-N362 VanDerWaalsContact C-N 3.29Å; L360-N362 PolarHBondContact O-N 3.36Å; L360-Q363 WeakPolarHBondContact O-CB 3.24Å; L360-Q363 PolarHBondContact O-N 3.39Å; L360-Q363 VanDerWaalsContact O-N 3.16Å; L360-E364 WeakPolarHBondContact O-CG 3.44Å; L360-E364 PolarHBondContact O-N 3.28Å; L360-F519 HydrophobicContact CB-CE2 4.12Å; L360-F519 HydrophobicContact CD2-CE2 4.28Å; L360-F519 HydrophobicContact CG-CD2 4.43Å; L360-F519 HydrophobicContact CG-CE2 4.11Å
361M96.9Very high95.8Very high65 Ų6573.8 Ų73.832%0.3240%0.4SS..Hα-helixtrans-58.8-42.8173.9-172.7173.7175.900111.3A357 E364 D365 F519 L526A357-M361 VanDerWaalsContact O-CB 3.29Å; A357-M361 WeakPolarHBondContact O-CB 3.48Å; A357-M361 PolarHBondContact O-N 2.74Å; M361-E364 WeakPolarHBondContact O-CB 3.19Å; M361-E364 PolarHBondContact O-N 3.16Å; M361-D365 PolarHBondContact O-N 3.37Å; M361-F519 HydrophobicContact CB-CD1 4.43Å; M361-F519 HydrophobicContact CB-CD2 3.92Å; M361-F519 HydrophobicContact CB-CE1 4.26Å; M361-F519 HydrophobicContact CB-CE2 3.72Å; M361-F519 HydrophobicContact CB-CG 4.25Å; M361-F519 HydrophobicContact CB-CZ 3.87Å; M361-F519 HydrophobicContact CG-CD1 4.3Å; M361-F519 HydrophobicContact CG-CD2 4.38Å; M361-F519 HydrophobicContact CG-CE1 4.47Å; M361-F519 HydrophobicContact CG-CG 4.23Å; M361-F519 HydrophobicContact SD-CD1 4.43Å; M361-F519 HydrophobicContact SD-CE1 4.4Å; M361-L526 HydrophobicContact CE-CD2 3.7Å
362N97.4Very high96Very high87 Ų8765.9 Ų65.947%0.46536%0.363SS..Hα-helixtrans-67-35.4176.3180-116.6000113.1V358 Q359 L360 E364 D365 H366V358-N362 WeakPolarHBondContact O-CB 3.41Å; V358-N362 PolarHBondContact O-N 3.2Å; Q359-N362 PolarHBondContact O-N 2.98Å; L360-N362 VanDerWaalsContact C-N 3.29Å; L360-N362 PolarHBondContact O-N 3.36Å; N362-E364 VanDerWaalsContact C-N 3.35Å; N362-D365 PolarHBondContact O-N 3.04Å; N362-H366 PolarHBondContact O-N 2.92Å; N362-H366 PolarHBondContact O-ND1 3.25Å; N362-H366 PolarHBondContact OD1-CE1 2.87Å; N362-H366 VanDerWaalsContact OD1-CE1 3.27Å
363Q95.5Very high96.3Very high113 Ų11365.7 Ų65.753%0.52837%0.369SS..Hα-helixtrans-63-42.6173.3-73168.911.200111.4Q359 L360 D365 H366Q359-Q363 WeakPolarHBondContact O-CG 3.47Å; Q359-Q363 PolarHBondContact O-N 2.95Å; L360-Q363 WeakPolarHBondContact O-CB 3.24Å; L360-Q363 PolarHBondContact O-N 3.39Å; L360-Q363 VanDerWaalsContact O-N 3.16Å; Q363-D365 VanDerWaalsContact C-N 3.33Å; Q363-D365 PolarHBondContact O-N 3.17Å; Q363-H366 PolarHBondContact O-N 2.9Å
364E94.9Very high96.3Very high16 Ų1669.3 Ų69.38%0.07538%0.38CS..Hα-helixtrans-60.8-41.4174.7-72.1-64.4156.900111.9N343 T345 L360 M361 N362 H366 N367 F519 K527N343-E364 PolarHBondContact ND2-OE1 3.36Å; N343-E364 PolarHBondContact ND2-OE2 3.29Å; T345-E364 PolarHBondContact OG1-OE1 3.02Å; L360-E364 WeakPolarHBondContact O-CG 3.44Å; L360-E364 PolarHBondContact O-N 3.28Å; M361-E364 WeakPolarHBondContact O-CB 3.19Å; M361-E364 PolarHBondContact O-N 3.16Å; N362-E364 VanDerWaalsContact C-N 3.35Å; E364-H366 VanDerWaalsContact C-N 3.28Å; E364-H366 PolarHBondContact O-N 3.22Å; E364-N367 WeakPolarHBondContact O-CB 3.33Å; E364-N367 PolarHBondContact O-N 3.25Å; E364-F519 HydrophobicContact CG-CD2 4.44Å; E364-K527 HydrophobicContact CB-CD 4.04Å; E364-K527 WeakPolarHBondContact O-CD 3.35Å; E364-K527 IonicContact OE2-NZ 3.39Å; E364-K527 PolarHBondContact OE2-NZ 3.35Å
365D96.6Very high96.4Very high53 Ų5364.9 Ų64.928%0.28335%0.351SS..Hα-helixtrans-62.7-30.1177.8-71.5-30.2000113.5M361 N362 Q363 N367 V368M361-D365 PolarHBondContact O-N 3.37Å; N362-D365 PolarHBondContact O-N 3.04Å; Q363-D365 VanDerWaalsContact C-N 3.33Å; Q363-D365 PolarHBondContact O-N 3.17Å; D365-N367 PolarHBondContact O-N 3.11Å; D365-V368 WeakPolarHBondContact O-CB 3.39Å; D365-V368 PolarHBondContact O-N 3.41Å; D365-V368 VanDerWaalsContact O-N 3.13Å
366H94.9Very high96.4Very high118 Ų11865.9 Ų65.955%0.54635%0.348SS..Hα-helixtrans-63.7-22.7177.6-77.992000113.2N362 Q363 E364 V368 P369N362-H366 PolarHBondContact O-N 2.92Å; N362-H366 PolarHBondContact O-ND1 3.25Å; N362-H366 PolarHBondContact OD1-CE1 2.87Å; N362-H366 VanDerWaalsContact OD1-CE1 3.27Å; Q363-H366 PolarHBondContact O-N 2.9Å; E364-H366 VanDerWaalsContact C-N 3.28Å; E364-H366 PolarHBondContact O-N 3.22Å; H366-V368 VanDerWaalsContact C-N 3.27Å; H366-V368 PolarHBondContact O-N 2.96Å; H366-P369 WeakPolarHBondContact O-CD 3.49Å
367N91.2Very high96.6Very high80 Ų8064.6 Ų64.643%0.42835%0.348SS..Hα-helixtrans-75.7-18178.6-60.3-37.8000112.4E364 D365 A371E364-N367 WeakPolarHBondContact O-CB 3.33Å; E364-N367 PolarHBondContact O-N 3.25Å; D365-N367 PolarHBondContact O-N 3.11Å; N367-A371 PolarHBondContact O-N 3.29Å; N367-A371 VanDerWaalsContact O-N 3.07Å
368V97.7Very high96.7Very high1 Ų166.4 Ų66.41%0.00635%0.353CS..Hα-helixtrans-67.8-48.7-172.31790000112.7D365 H366 D370 A371 V372 K527 T530 A531 L534D365-V368 WeakPolarHBondContact O-CB 3.39Å; D365-V368 PolarHBondContact O-N 3.41Å; D365-V368 VanDerWaalsContact O-N 3.13Å; H366-V368 VanDerWaalsContact C-N 3.27Å; H366-V368 PolarHBondContact O-N 2.96Å; V368-D370 VanDerWaalsContact C-N 3.29Å; V368-D370 PolarHBondContact O-N 2.94Å; V368-A371 PolarHBondContact O-N 3.49Å; V368-V372 HydrophobicContact CG1-CG2 4.49Å; V368-V372 WeakPolarHBondContact O-CG2 3.45Å; V368-V372 PolarHBondContact O-N 3.41Å; V368-K527 HydrophobicContact CG2-CB 3.7Å; V368-K527 HydrophobicContact CG2-CD 4.09Å; V368-K527 HydrophobicContact CG2-CG 3.73Å; V368-T530 HydrophobicContact CB-CG2 4.42Å; V368-T530 HydrophobicContact CG1-CG2 3.9Å; V368-A531 HydrophobicContact CG1-CB 3.8Å; V368-L534 HydrophobicContact CG1-CD1 4.13Å
369P97.9Very high96.8Very high70 Ų7062.2 Ų62.246%0.45533%0.327SS..Hα-helixtrans-60.5-37.3177.6-24.736.3000113.3H366 V372 A373 L534H366-P369 WeakPolarHBondContact O-CD 3.49Å; P369-V372 PolarHBondContact O-N 3.31Å; P369-A373 WeakPolarHBondContact O-CB 3.47Å; P369-A373 PolarHBondContact O-N 3.47Å; P369-L534 HydrophobicContact CG-CD1 4.49Å
370D96.6Very high96.9Very high114 Ų11461.8 Ų61.861%0.6133%0.325SS*.Hα-helixtrans-66.2-43.2177.9-70.4-20.5000111.1V368 V372 A373 E374V368-D370 VanDerWaalsContact C-N 3.29Å; V368-D370 PolarHBondContact O-N 2.94Å; D370-V372 VanDerWaalsContact C-N 3.33Å; D370-V372 PolarHBondContact O-N 3.38Å; D370-A373 VanDerWaalsContact O-CB 3.32Å; D370-A373 WeakPolarHBondContact O-CB 3.06Å; D370-A373 PolarHBondContact O-N 2.88Å; D370-A373 VanDerWaalsContact O-N 3.12Å; D370-E374 PolarHBondContact O-N 2.97Å
371A96.5Very high97Very high8 Ų865 Ų657%0.06634%0.339CS..Hα-helixtrans-61.7-39.4174.300000112.4N367 V368 A373 E374 V513 D514N367-A371 PolarHBondContact O-N 3.29Å; N367-A371 VanDerWaalsContact O-N 3.07Å; V368-A371 PolarHBondContact O-N 3.49Å; A371-A373 VanDerWaalsContact C-N 3.34Å; A371-E374 PolarHBondContact O-N 3.1Å; A371-V513 HydrophobicContact CB-CG1 3.82Å; A371-D514 WeakPolarHBondContact CB-O 3.47Å
372V98.3Very high97.1Very high2 Ų262 Ų621%0.01232%0.324CS..Hα-helixtrans-66.4-37.2174.1173.90000111V368 P369 D370 E374 Q375 L376 I379 V513 A531 L534 I535 M538V368-V372 HydrophobicContact CG1-CG2 4.49Å; V368-V372 WeakPolarHBondContact O-CG2 3.45Å; V368-V372 PolarHBondContact O-N 3.41Å; P369-V372 PolarHBondContact O-N 3.31Å; D370-V372 VanDerWaalsContact C-N 3.33Å; D370-V372 PolarHBondContact O-N 3.38Å; V372-E374 PolarHBondContact O-N 3.09Å; V372-Q375 PolarHBondContact O-N 3.42Å; V372-L376 PolarHBondContact O-N 3.07Å; V372-I379 HydrophobicContact CG1-CD1 3.9Å; V372-V513 HydrophobicContact CG2-CG1 4.14Å; V372-A531 HydrophobicContact CG2-CB 4.06Å; V372-L534 HydrophobicContact CG2-CD1 4.41Å; V372-I535 HydrophobicContact CG1-CG1 3.92Å; V372-I535 HydrophobicContact CG2-CD1 4.25Å; V372-I535 HydrophobicContact CG2-CG1 4.24Å; V372-M538 HydrophobicContact CG1-CE 3.95Å; V372-M538 HydrophobicContact CG1-SD 4.2Å
373A98.2Very high97.2Very high48 Ų4858.4 Ų58.440%0.39731%0.305SS..Hα-helixtrans-59.1-34.3179.400000112.4P369 D370 A371 Q375 L376P369-A373 WeakPolarHBondContact O-CB 3.47Å; P369-A373 PolarHBondContact O-N 3.47Å; D370-A373 VanDerWaalsContact O-CB 3.32Å; D370-A373 WeakPolarHBondContact O-CB 3.06Å; D370-A373 PolarHBondContact O-N 2.88Å; D370-A373 VanDerWaalsContact O-N 3.12Å; A371-A373 VanDerWaalsContact C-N 3.34Å; A373-Q375 PolarHBondContact O-N 3.06Å; A373-L376 HydrophobicContact CB-CD1 4.37Å; A373-L376 VanDerWaalsContact O-CG 3.28Å; A373-L376 WeakPolarHBondContact O-CG 3.38Å; A373-L376 PolarHBondContact O-N 2.61Å
374E97Very high97.3Very high134 Ų13458.3 Ų58.363%0.62630%0.304SS*.THydrogen-bonded Turntrans-64.5-20.7175.3-62.7-174174.200113.7D370 A371 V372D370-E374 PolarHBondContact O-N 2.97Å; A371-E374 PolarHBondContact O-N 3.1Å; V372-E374 PolarHBondContact O-N 3.09Å
375Q97.5Very high97.5Very high27 Ų2758.5 Ų58.513%0.12631%0.309CS..THydrogen-bonded Turntrans-105.25.1-177.4-62.1-54.8-62.400113.9V372 A373 P377 Q378 I379 K499 I511 E512 V513V372-Q375 PolarHBondContact O-N 3.42Å; A373-Q375 PolarHBondContact O-N 3.06Å; Q375-P377 VanDerWaalsContact C-CD 3.42Å; Q375-P377 VanDerWaalsContact C-N 3.31Å; Q375-Q378 PolarHBondContact O-N 3.22Å; Q375-I379 HydrophobicContact CB-CD1 4.23Å; Q375-I379 WeakPolarHBondContact O-CG1 3.2Å; Q375-I379 PolarHBondContact O-N 3.42Å; Q375-K499 VanDerWaalsContact NE2-NZ 3.2Å; Q375-I511 HydrophobicContact CB-CG2 4Å; Q375-I511 HydrophobicContact CG-CG2 4.37Å; Q375-E512 VanDerWaalsContact CG-O 3.26Å; Q375-E512 WeakPolarHBondContact CG-O 3.41Å; Q375-E512 PolarHBondContact NE2-O 2.87Å; Q375-E512 PolarHBondContact OE1-O 2.93Å; Q375-V513 HydrophobicContact CB-CG2 4.27Å; Q375-V513 HydrophobicContact CG-CG2 3.82Å
376L98.4Very high97.6Very high84 Ų8456 Ų5644%0.4430%0.295SS..Hα-helixtrans-50.3-42.2179.1-66.3172.8000113.9V372 A373 Q378 I379 E380 M538V372-L376 PolarHBondContact O-N 3.07Å; A373-L376 HydrophobicContact CB-CD1 4.37Å; A373-L376 VanDerWaalsContact O-CG 3.28Å; A373-L376 WeakPolarHBondContact O-CG 3.38Å; A373-L376 PolarHBondContact O-N 2.61Å; L376-Q378 VanDerWaalsContact C-N 3.25Å; L376-Q378 PolarHBondContact O-N 3.49Å; L376-I379 HydrophobicContact CD2-CD1 4.33Å; L376-I379 PolarHBondContact O-N 3.41Å; L376-E380 WeakPolarHBondContact O-CB 3.26Å; L376-E380 PolarHBondContact O-N 3.02Å; L376-M538 HydrophobicContact CD2-CE 4.39Å; L376-M538 HydrophobicContact CD2-SD 4.2Å
377P98.2Very high97.8Very high78 Ų7851.6 Ų51.651%0.50628%0.275SS..Hα-helixtrans-64-25.7178.3-2435.4000114.7Q375 K381Q375-P377 VanDerWaalsContact C-CD 3.42Å; Q375-P377 VanDerWaalsContact C-N 3.31Å; P377-K381 WeakPolarHBondContact O-CG 3.18Å
378Q98.1Very high98.1Very high59 Ų5951.1 Ų51.128%0.27628%0.276SS..Hα-helixtrans-86.9-36.6175.7-58.5-63.417.100111.3Q375 L376 E380 K381 V382 I511Q375-Q378 PolarHBondContact O-N 3.22Å; L376-Q378 VanDerWaalsContact C-N 3.25Å; L376-Q378 PolarHBondContact O-N 3.49Å; Q378-E380 VanDerWaalsContact C-N 3.26Å; Q378-E380 PolarHBondContact O-N 2.93Å; Q378-K381 PolarHBondContact O-N 3.14Å; Q378-V382 PolarHBondContact O-N 3.4Å; Q378-V382 VanDerWaalsContact O-N 3.1Å; Q378-I511 HydrophobicContact CB-CG1 4.03Å
379I98.7Very high98.1Very high3 Ų351.4 Ų51.42%0.01528%0.278CS..Hα-helixtrans-58.3-42.6172.2-63.5164.8000110V372 Q375 L376 K381 V382 I383 I511 I535 M538V372-I379 HydrophobicContact CG1-CD1 3.9Å; Q375-I379 HydrophobicContact CB-CD1 4.23Å; Q375-I379 WeakPolarHBondContact O-CG1 3.2Å; Q375-I379 PolarHBondContact O-N 3.42Å; L376-I379 HydrophobicContact CD2-CD1 4.33Å; L376-I379 PolarHBondContact O-N 3.41Å; I379-K381 PolarHBondContact O-N 2.89Å; I379-V382 PolarHBondContact O-N 2.95Å; I379-I383 HydrophobicContact CG2-CD1 3.8Å; I379-I383 WeakPolarHBondContact O-CG1 3.07Å; I379-I383 PolarHBondContact O-N 2.8Å; I379-I511 HydrophobicContact CB-CD1 4.47Å; I379-I511 HydrophobicContact CG1-CD1 3.88Å; I379-I511 HydrophobicContact CG1-CG1 4.24Å; I379-I511 HydrophobicContact CG1-CG2 4.08Å; I379-I535 HydrophobicContact CD1-CG1 3.91Å; I379-I535 HydrophobicContact CD1-CG2 4.46Å; I379-I535 HydrophobicContact CG1-CG2 4.21Å; I379-M538 HydrophobicContact CD1-SD 4.23Å; I379-M538 HydrophobicContact CG2-CB 4.17Å; I379-M538 HydrophobicContact CG2-SD 4.28Å
380E98.6Very high98.1Very high114 Ų11448.6 Ų48.653%0.53326%0.258SS..Hα-helixtrans-54.7-49.2174.4-177.7177-171.800112.1L376 Q378 V382 I383 E384L376-E380 WeakPolarHBondContact O-CB 3.26Å; L376-E380 PolarHBondContact O-N 3.02Å; Q378-E380 VanDerWaalsContact C-N 3.26Å; Q378-E380 PolarHBondContact O-N 2.93Å; E380-V382 VanDerWaalsContact C-N 3.34Å; E380-V382 PolarHBondContact O-N 3.37Å; E380-I383 WeakPolarHBondContact O-CB 3.39Å; E380-I383 PolarHBondContact O-N 3.09Å; E380-I383 VanDerWaalsContact O-N 3.16Å; E380-E384 WeakPolarHBondContact O-CG 3.35Å; E380-E384 PolarHBondContact O-N 2.86Å
381K98.6Very high98.1Very high91 Ų9150 Ų5040%0.39626%0.259SS..Hα-helixtrans-63.5-38.6178.9-65176.3-164.6162.30112.8P377 Q378 I379 I383 E384 A385 L509P377-K381 WeakPolarHBondContact O-CG 3.18Å; Q378-K381 PolarHBondContact O-N 3.14Å; I379-K381 PolarHBondContact O-N 2.89Å; K381-I383 VanDerWaalsContact C-N 3.33Å; K381-E384 PolarHBondContact O-N 3.43Å; K381-A385 WeakPolarHBondContact O-CB 3.35Å; K381-A385 PolarHBondContact O-N 2.91Å; K381-L509 HydrophobicContact CB-CD2 4.01Å; K381-L509 HydrophobicContact CD-CD2 4.41Å
382V98.7Very high98.1Very high1 Ų155 Ų551%0.00628%0.28CS..Hα-helixtrans-64.1-40.7175.5170.20000110.7Q378 I379 E380 A385 T386 M465 I467 L509 I511 I539Q378-V382 PolarHBondContact O-N 3.4Å; Q378-V382 VanDerWaalsContact O-N 3.1Å; I379-V382 PolarHBondContact O-N 2.95Å; E380-V382 VanDerWaalsContact C-N 3.34Å; E380-V382 PolarHBondContact O-N 3.37Å; V382-A385 PolarHBondContact O-N 3.49Å; V382-T386 WeakPolarHBondContact O-CB 3.25Å; V382-T386 PolarHBondContact O-N 2.81Å; V382-T386 PolarHBondContact O-OG1 2.92Å; V382-M465 HydrophobicContact CG1-CE 4.2Å; V382-I467 HydrophobicContact CG1-CD1 3.47Å; V382-I467 VanDerWaalsContact CG1-CD1 3.47Å; V382-I467 HydrophobicContact CG1-CG1 4.44Å; V382-L509 HydrophobicContact CG2-CB 3.62Å; V382-L509 HydrophobicContact CG2-CD1 4.18Å; V382-I511 HydrophobicContact CB-CD1 4.12Å; V382-I511 HydrophobicContact CG1-CD1 4.43Å; V382-I511 HydrophobicContact CG2-CD1 3.68Å; V382-I511 HydrophobicContact CG2-CG1 4.13Å; V382-I539 HydrophobicContact CG1-CD1 3.71Å; V382-I539 HydrophobicContact CG1-CG1 3.98Å; V382-I539 HydrophobicContact CG1-CG2 4.41Å
383I98.8Very high98Very high13 Ų1362.5 Ų62.57%0.06732%0.319CS..Hα-helixtrans-62.2-47.3173.7-72159.8000111I379 E380 K381 A385 T386 I387 I539 I542I379-I383 HydrophobicContact CG2-CD1 3.8Å; I379-I383 WeakPolarHBondContact O-CG1 3.07Å; I379-I383 PolarHBondContact O-N 2.8Å; E380-I383 WeakPolarHBondContact O-CB 3.39Å; E380-I383 PolarHBondContact O-N 3.09Å; E380-I383 VanDerWaalsContact O-N 3.16Å; K381-I383 VanDerWaalsContact C-N 3.33Å; I383-A385 VanDerWaalsContact C-N 3.34Å; I383-A385 PolarHBondContact O-N 3.03Å; I383-T386 WeakPolarHBondContact O-CB 3.38Å; I383-T386 PolarHBondContact O-N 2.86Å; I383-I387 HydrophobicContact CG2-CD1 3.73Å; I383-I387 HydrophobicContact CG2-CG1 4.38Å; I383-I387 WeakPolarHBondContact O-CG1 3.39Å; I383-I387 PolarHBondContact O-N 2.96Å; I383-I539 HydrophobicContact CG1-CG1 4.29Å; I383-I542 HydrophobicContact CD1-CB 3.97Å; I383-I542 HydrophobicContact CD1-CD1 3.77Å; I383-I542 HydrophobicContact CD1-CG1 4.41Å; I383-I542 HydrophobicContact CD1-CG2 4.23Å; I383-I542 HydrophobicContact CG1-CB 4.42Å; I383-I542 HydrophobicContact CG2-CB 4.08Å; I383-I542 HydrophobicContact CG2-CG2 3.69Å
384E98.6Very high98Very high110 Ų11060.4 Ų60.451%0.51430%0.303SS..Hα-helixtrans-60.3-42.1178.4-71.2-177.5149.900112.5E380 K381 I387 T388E380-E384 WeakPolarHBondContact O-CG 3.35Å; E380-E384 PolarHBondContact O-N 2.86Å; K381-E384 PolarHBondContact O-N 3.43Å; E384-I387 PolarHBondContact O-N 2.9Å; E384-T388 WeakPolarHBondContact O-CB 3.36Å; E384-T388 PolarHBondContact O-N 3.18Å; E384-T388 PolarHBondContact O-OG1 2.82Å
385A98.5Very high98.1Very high21 Ų2156.2 Ų56.217%0.17428%0.281CS..Hα-helixtrans-64.2-41.2174.800000111.7K381 V382 I383 T388 A389 M465 L509K381-A385 WeakPolarHBondContact O-CB 3.35Å; K381-A385 PolarHBondContact O-N 2.91Å; V382-A385 PolarHBondContact O-N 3.49Å; I383-A385 VanDerWaalsContact C-N 3.34Å; I383-A385 PolarHBondContact O-N 3.03Å; A385-T388 WeakPolarHBondContact O-CB 3.19Å; A385-T388 PolarHBondContact O-N 2.98Å; A385-A389 PolarHBondContact O-N 3.07Å; A385-M465 HydrophobicContact CB-SD 4.2Å; A385-L509 HydrophobicContact CB-CD1 3.58Å
386T98.7Very high98.1Very high0 Ų054.9 Ų54.90%028%0.275CS..Hα-helixtrans-64.7-44.5177.2-57.80000111.7V382 I383 T388 A389 F390 L396 I539 S543V382-T386 WeakPolarHBondContact O-CB 3.25Å; V382-T386 PolarHBondContact O-N 2.81Å; V382-T386 PolarHBondContact O-OG1 2.92Å; I383-T386 WeakPolarHBondContact O-CB 3.38Å; I383-T386 PolarHBondContact O-N 2.86Å; T386-T388 PolarHBondContact O-N 3.41Å; T386-A389 WeakPolarHBondContact O-CB 3.43Å; T386-A389 PolarHBondContact O-N 2.87Å; T386-F390 HydrophobicContact CG2-CD2 4.13Å; T386-F390 HydrophobicContact CG2-CE2 3.62Å; T386-F390 HydrophobicContact CG2-CZ 3.9Å; T386-F390 PolarHBondContact O-N 3.26Å; T386-L396 HydrophobicContact CG2-CB 4.23Å; T386-L396 HydrophobicContact CG2-CD1 3.99Å; T386-L396 HydrophobicContact CG2-CD2 3.8Å; T386-L396 HydrophobicContact CG2-CG 4.23Å; T386-I539 HydrophobicContact CG2-CG2 4.48Å; T386-S543 WeakPolarHBondContact CB-OG 3.49Å; T386-S543 WeakPolarHBondContact CG2-OG 3.38Å
387I98.5Very high98.1Very high26 Ų2650.9 Ų50.913%0.13325%0.254CS..Hα-helixtrans-59.4-39.4173.4-67.8164.4000110.5I383 E384 K391 I547I383-I387 HydrophobicContact CG2-CD1 3.73Å; I383-I387 HydrophobicContact CG2-CG1 4.38Å; I383-I387 WeakPolarHBondContact O-CG1 3.39Å; I383-I387 PolarHBondContact O-N 2.96Å; E384-I387 PolarHBondContact O-N 2.9Å; I387-K391 HydrophobicContact CG2-CD 4.08Å; I387-K391 WeakPolarHBondContact O-CG 3.32Å; I387-K391 PolarHBondContact O-N 3.02Å; I387-I547 HydrophobicContact CG2-CG2 4.28Å
388T98.2Very high98.2Very high70 Ų7047.2 Ų47.243%0.42923%0.23SC..Hα-helixtrans-65.5-42177.3-59.20000111.6E384 A385 T386 K391 K392E384-T388 WeakPolarHBondContact O-CB 3.36Å; E384-T388 PolarHBondContact O-N 3.18Å; E384-T388 PolarHBondContact O-OG1 2.82Å; A385-T388 WeakPolarHBondContact O-CB 3.19Å; A385-T388 PolarHBondContact O-N 2.98Å; T386-T388 PolarHBondContact O-N 3.41Å; T388-K391 PolarHBondContact O-N 3.09Å; T388-K392 HydrophobicContact CG2-CD 4.45Å; T388-K392 WeakPolarHBondContact O-CG 3.28Å; T388-K392 PolarHBondContact O-N 2.92Å
389A98.3Very high98.2Very high6 Ų644.4 Ų44.45%0.0522%0.217CC..Hα-helixtrans-59.9-50.4174.800000111.1A385 T386 K391 K392 D393 G394 N463 M465A385-A389 PolarHBondContact O-N 3.07Å; T386-A389 WeakPolarHBondContact O-CB 3.43Å; T386-A389 PolarHBondContact O-N 2.87Å; A389-K391 VanDerWaalsContact C-N 3.3Å; A389-K391 PolarHBondContact O-N 3.1Å; A389-K392 CarbonylContact O-C 3.59Å; A389-K392 WeakPolarHBondContact O-CA 3.29Å; A389-K392 PolarHBondContact O-N 3.02Å; A389-D393 PolarHBondContact O-N 2.65Å; A389-G394 WeakPolarHBondContact O-CA 3.37Å; A389-G394 PolarHBondContact O-N 3.09Å; A389-N463 WeakPolarHBondContact CA-O 3.48Å; A389-N463 VanDerWaalsContact CB-O 3.25Å; A389-N463 WeakPolarHBondContact CB-O 3.3Å; A389-M465 HydrophobicContact CB-CB 3.97Å
390F97.9Very high98.1Very high12 Ų1244.2 Ų44.25%0.05322%0.216CC..Hα-helixtrans-59.7-37.6177.6-68.3-31.5000113.5T386 K392 D393 G394 L396 M425 V426 M544 I547T386-F390 HydrophobicContact CG2-CD2 4.13Å; T386-F390 HydrophobicContact CG2-CE2 3.62Å; T386-F390 HydrophobicContact CG2-CZ 3.9Å; T386-F390 PolarHBondContact O-N 3.26Å; F390-K392 PolarHBondContact O-N 2.67Å; F390-D393 PolarHBondContact O-N 3.35Å; F390-D393 VanDerWaalsContact O-N 3.16Å; F390-G394 WeakPolarHBondContact CD1-O 3.44Å; F390-L396 HydrophobicContact CE1-CB 3.8Å; F390-L396 HydrophobicContact CZ-CB 3.68Å; F390-L396 HydrophobicContact CZ-CD2 4.3Å; F390-M425 HydrophobicContact CB-CE 3.92Å; F390-M425 HydrophobicContact CD1-CE 3.38Å; F390-M425 HydrophobicContact CD1-CG 4.1Å; F390-M425 HydrophobicContact CD2-CE 4.07Å; F390-M425 HydrophobicContact CE1-CE 3.81Å; F390-M425 HydrophobicContact CE1-CG 3.77Å; F390-M425 WeakPolarHBondContact CE1-O 3.39Å; F390-M425 HydrophobicContact CE2-CE 4.41Å; F390-M425 HydrophobicContact CG-CE 3.54Å; F390-M425 HydrophobicContact CZ-CE 4.31Å; F390-M425 HydrophobicContact CZ-CG 4.46Å; F390-V426 HydrophobicContact CZ-CG2 4.07Å; F390-M544 HydrophobicContact CE2-CE 4.42Å; F390-M544 HydrophobicContact CZ-CE 4.31Å; F390-I547 HydrophobicContact CB-CD1 4.3Å; F390-I547 HydrophobicContact CB-CG2 3.88Å; F390-I547 HydrophobicContact CD2-CD1 3.99Å; F390-I547 HydrophobicContact CD2-CG2 4.3Å; F390-I547 HydrophobicContact CG-CD1 4.31Å
391K96.4Very high97.9Very high143 Ų14339.3 Ų39.362%0.62220%0.195SC*.Hα-helixtrans-69.5-14.6176.1-74.8175180173.10114I387 T388 A389 I547I387-K391 HydrophobicContact CG2-CD 4.08Å; I387-K391 WeakPolarHBondContact O-CG 3.32Å; I387-K391 PolarHBondContact O-N 3.02Å; T388-K391 PolarHBondContact O-N 3.09Å; A389-K391 VanDerWaalsContact C-N 3.3Å; A389-K391 PolarHBondContact O-N 3.1Å; K391-I547 HydrophobicContact CG-CG2 4.46Å
392K96.5Very high97.7Very high114 Ų11436.3 Ų36.350%0.49619%0.19SC..THydrogen-bonded Turntrans-101.317.8174-66175.5178.1-179.20112.1T388 A389 F390 G394 N463T388-K392 HydrophobicContact CG2-CD 4.45Å; T388-K392 WeakPolarHBondContact O-CG 3.28Å; T388-K392 PolarHBondContact O-N 2.92Å; A389-K392 CarbonylContact O-C 3.59Å; A389-K392 WeakPolarHBondContact O-CA 3.29Å; A389-K392 PolarHBondContact O-N 3.02Å; F390-K392 PolarHBondContact O-N 2.67Å; K392-G394 PolarHBondContact O-N 2.95Å; K392-N463 HydrophobicContact CB-CB 4.21Å; K392-N463 PolarHBondContact O-ND2 2.84Å
393D95.8Very high97.5Very high158 Ų15838.5 Ų38.585%0.84520%0.203SC*.THydrogen-bonded Turntrans57.624.7-173.8-56.9-49.4000113.7A389 F390A389-D393 PolarHBondContact O-N 2.65Å; F390-D393 PolarHBondContact O-N 3.35Å; F390-D393 VanDerWaalsContact O-N 3.16Å
394G97.8Very high97.4Very high5 Ų538.3 Ų38.35%0.05220%0.203CC..  trans-84.7172171.800000112.7A389 F390 K392A389-G394 WeakPolarHBondContact O-CA 3.37Å; A389-G394 PolarHBondContact O-N 3.09Å; F390-G394 WeakPolarHBondContact CD1-O 3.44Å; K392-G394 PolarHBondContact O-N 2.95Å
395R98.5Very high97.4Very high45 Ų4533.1 Ų33.117%0.1718%0.179CC..  trans-110.5159.7-178-54.7168.3-70.2-178.6-2.9111.3I397 E424 M425 L458 H459 D464 M465R395-I397 HydrophobicContact CB-CG1 4.24Å; R395-E424 WeakPolarHBondContact CD-O 3.47Å; R395-E424 WeakPolarHBondContact CG-O 3.45Å; R395-M425 WeakPolarHBondContact CA-O 3.41Å; R395-L458 PolarHBondContact NH1-O 3.05Å; R395-L458 PolarHBondContact NH2-O 2.91Å; R395-L458 VanDerWaalsContact NH2-O 3.07Å; R395-H459 PolarHBondContact NH2-O 3.46Å; R395-H459 VanDerWaalsContact NH2-O 3.16Å; R395-D464 VanDerWaalsContact CB-OD1 3.26Å; R395-D464 WeakPolarHBondContact CB-OD1 3.32Å; R395-D464 WeakPolarHBondContact CG-OD1 3.39Å; R395-D464 IonicContact CZ-OD1 3.85Å; R395-D464 IonicContact CZ-OD2 2.89Å; R395-D464 PolarHBondContact N-OD1 2.96Å; R395-D464 IonicContact NE-OD1 2.72Å; R395-D464 PolarHBondContact NE-OD1 3.45Å; R395-D464 IonicContact NE-OD2 3.86Å; R395-D464 IonicContact NH2-OD1 2.72Å; R395-D464 IonicContact NH2-OD2 2.86Å; R395-D464 PolarHBondContact NH2-OD2 3.37Å; R395-M465 PolarHBondContact O-N 3.49Å
396L98.8Very high97.3Very high0 Ų035.3 Ų35.30%018%0.183CC..EExtended strand (participates in β ladder)trans-100119165.5176.659.9000109.1T386 F390 Y398 M425 V426 V427 M465 I467 I539T386-L396 HydrophobicContact CG2-CB 4.23Å; T386-L396 HydrophobicContact CG2-CD1 3.99Å; T386-L396 HydrophobicContact CG2-CD2 3.8Å; T386-L396 HydrophobicContact CG2-CG 4.23Å; F390-L396 HydrophobicContact CE1-CB 3.8Å; F390-L396 HydrophobicContact CZ-CB 3.68Å; F390-L396 HydrophobicContact CZ-CD2 4.3Å; L396-Y398 HydrophobicContact CD1-CE1 4.14Å; L396-Y398 HydrophobicContact CD2-CE1 3.99Å; L396-Y398 HydrophobicContact CD2-CE2 4.2Å; L396-Y398 WeakPolarHBondContact CD2-OH 3.42Å; L396-Y398 HydrophobicContact CG-CE1 4.06Å; L396-Y398 HydrophobicContact CG-CE2 4.46Å; L396-M425 PolarHBondContact N-O 2.89Å; L396-V426 HydrophobicContact CB-CG1 4.32Å; L396-V426 HydrophobicContact CB-CG2 4.38Å; L396-V426 HydrophobicContact CD2-CG1 4.14Å; L396-V426 HydrophobicContact CG-CG1 4.29Å; L396-V426 CarbonylContact O-C 3.49Å; L396-V426 VanDerWaalsContact O-CA 3.28Å; L396-V426 WeakPolarHBondContact O-CA 3.49Å; L396-V427 PolarHBondContact O-N 3.29Å; L396-M465 HydrophobicContact CD1-CB 4.22Å; L396-M465 HydrophobicContact CD1-CG 3.94Å; L396-I467 HydrophobicContact CD1-CD1 3.77Å; L396-I467 HydrophobicContact CD1-CG1 4.16Å; L396-I539 HydrophobicContact CD2-CG2 3.99Å
397I98.8Very high97.3Very high0 Ų036.6 Ų36.60%019%0.189CC..EExtended strand (participates in β ladder)trans-118.2111.8-176.4-57.5168.9000108.9R395 V427 L429 L455 L458 L460 D464 M465 V466 I467R395-I397 HydrophobicContact CB-CG1 4.24Å; I397-V427 CarbonylContact C-O 3.53Å; I397-V427 WeakPolarHBondContact CA-O 3.45Å; I397-V427 HydrophobicContact CG1-CB 4.4Å; I397-L429 HydrophobicContact CG2-CD1 4.01Å; I397-L429 HydrophobicContact CG2-CG 4.3Å; I397-L455 HydrophobicContact CG2-CD2 3.9Å; I397-L458 HydrophobicContact CD1-CD1 4.34Å; I397-L458 HydrophobicContact CG2-CD1 4.12Å; I397-L460 HydrophobicContact CD1-CD1 3.52Å; I397-D464 HydrophobicContact CD1-CB 4.28Å; I397-M465 PolarHBondContact N-O 3.12Å; I397-V466 HydrophobicContact CB-CG2 4.41Å; I397-V466 CarbonylContact O-C 3.53Å; I397-V466 WeakPolarHBondContact O-CA 3.49Å; I397-I467 PolarHBondContact O-N 3.44Å
398Y98.8Very high97.3Very high0 Ų035.4 Ų35.40%018%0.183CC..EExtended strand (participates in β ladder)trans-84.4140.8168.7-58.8-54.2000109.9L396 G408 D411 A412 V426 V427 L429 I467 I469 L536L396-Y398 HydrophobicContact CD1-CE1 4.14Å; L396-Y398 HydrophobicContact CD2-CE1 3.99Å; L396-Y398 HydrophobicContact CD2-CE2 4.2Å; L396-Y398 WeakPolarHBondContact CD2-OH 3.42Å; L396-Y398 HydrophobicContact CG-CE1 4.06Å; L396-Y398 HydrophobicContact CG-CE2 4.46Å; Y398-G408 WeakPolarHBondContact CD2-O 3.33Å; Y398-D411 HydrophobicContact CE2-CB 4.23Å; Y398-D411 WeakPolarHBondContact CE2-OD2 3.32Å; Y398-D411 PolarHBondContact OH-OD2 3.27Å; Y398-A412 HydrophobicContact CD2-CB 4.4Å; Y398-V426 HydrophobicContact CD2-CG1 4.2Å; Y398-V426 HydrophobicContact CE2-CG1 3.68Å; Y398-V427 PolarHBondContact N-O 3.03Å; Y398-L429 PolarHBondContact O-N 2.83Å; Y398-I467 HydrophobicContact CD1-CB 3.98Å; Y398-I467 HydrophobicContact CD1-CG2 4.34Å; Y398-I467 HydrophobicContact CE1-CB 4.39Å; Y398-I467 HydrophobicContact CE1-CD1 4.08Å; Y398-I469 HydrophobicContact CD1-CD1 4.36Å; Y398-I469 HydrophobicContact CG-CD1 4.46Å; Y398-L536 HydrophobicContact CD1-CD2 3.51Å; Y398-L536 HydrophobicContact CD2-CD2 4.46Å; Y398-L536 HydrophobicContact CE1-CD2 3.29Å; Y398-L536 HydrophobicContact CE2-CD2 4.27Å; Y398-L536 HydrophobicContact CG-CD2 4.11Å
399M98.3Very high97.2Very high0 Ų033.6 Ų33.60%017%0.172CC..EExtended strand (participates in β ladder)trans-140.1138.7171.267.8173.7-54.900112.1L429 L455 V466 I467 I469 Y477M399-L429 WeakPolarHBondContact CA-O 3.41Å; M399-L429 HydrophobicContact CB-CB 4Å; M399-L455 HydrophobicContact SD-CD1 4.11Å; M399-V466 HydrophobicContact CG-CG1 4.22Å; M399-V466 HydrophobicContact SD-CG1 3.91Å; M399-I467 PolarHBondContact N-O 3.46Å; M399-I469 PolarHBondContact O-N 3.38Å; M399-Y477 HydrophobicContact CB-CE1 4.33Å; M399-Y477 HydrophobicContact CE-CD1 3.94Å; M399-Y477 HydrophobicContact CE-CE1 3.59Å; M399-Y477 WeakPolarHBondContact CE-O 3.1Å
400G97.9Very high97.2Very high0 Ų036.9 Ų36.90%019%0.188CC..EExtended strand (participates in β ladder)trans-168.8178.6178.500000113.4L429 I430 A431 I469 Y477G400-L429 PolarHBondContact N-O 2.98Å; G400-L429 VanDerWaalsContact N-O 3.14Å; G400-I430 VanDerWaalsContact O-CA 3.3Å; G400-I430 WeakPolarHBondContact O-CA 3.21Å; G400-A431 PolarHBondContact O-N 2.9Å; G400-I469 WeakPolarHBondContact CA-O 3.47Å; G400-Y477 WeakPolarHBondContact O-CE1 3.15Å
401A93.9Very high97.2Very high10 Ų1036.5 Ų36.58%0.08319%0.187CC..SBendtrans-115.8160.217300000111T403 S404 G405 A431 E445 T475A401-T403 PolarHBondContact O-N 3.23Å; A401-S404 WeakPolarHBondContact O-CB 3.22Å; A401-S404 PolarHBondContact O-N 3Å; A401-S404 VanDerWaalsContact O-N 3.08Å; A401-G405 PolarHBondContact O-N 3.31Å; A401-G405 VanDerWaalsContact O-N 3.09Å; A401-A431 HydrophobicContact CB-CB 3.78Å; A401-E445 HydrophobicContact CB-CB 3.51Å; A401-T475 HydrophobicContact CB-CG2 4.05Å
402G93.6Very high97.3Very high28 Ų2830 Ų3029%0.28916%0.16SC..Hα-helixtrans51.4-13017500000113.2S404 G405 R406G402-S404 VanDerWaalsContact C-N 3.33Å; G402-S404 PolarHBondContact O-N 3.09Å; G402-G405 PolarHBondContact O-N 3.1Å; G402-R406 VanDerWaalsContact C-NH1 3.25Å; G402-R406 WeakPolarHBondContact O-CG 3.37Å; G402-R406 PolarHBondContact O-N 2.9Å; G402-R406 VanDerWaalsContact O-N 3.15Å; G402-R406 PolarHBondContact O-NH1 3.33Å
403T95.1Very high97.2Very high47 Ų4727.6 Ų27.629%0.28816%0.162SC..Hα-helixtrans-60.9-39.7178.6-55.70000112.7A401 G405 R406 L407 R525A401-T403 PolarHBondContact O-N 3.23Å; T403-G405 PolarHBondContact O-N 2.95Å; T403-R406 PolarHBondContact O-N 3.09Å; T403-L407 HydrophobicContact CG2-CD1 4.01Å; T403-L407 HydrophobicContact CG2-CG 4.28Å; T403-L407 WeakPolarHBondContact O-CG 3.22Å; T403-L407 PolarHBondContact O-N 2.8Å; T403-R525 HydrophobicContact CG2-CB 4.05Å; T403-R525 WeakPolarHBondContact OG1-CB 3.43Å
404S97.2Very high97.2Very high10 Ų1024.3 Ų24.37%0.0714%0.141CC..Hα-helixtrans-63-44.3-179.2-65.80000112A401 G402 L407 G408 I469 Q532A401-S404 WeakPolarHBondContact O-CB 3.22Å; A401-S404 PolarHBondContact O-N 3Å; A401-S404 VanDerWaalsContact O-N 3.08Å; G402-S404 VanDerWaalsContact C-N 3.33Å; G402-S404 PolarHBondContact O-N 3.09Å; S404-L407 PolarHBondContact O-N 3.06Å; S404-G408 PolarHBondContact O-N 3.11Å; S404-G408 VanDerWaalsContact O-N 3.15Å; S404-I469 WeakPolarHBondContact CB-O 3.46Å; S404-Q532 VanDerWaalsContact OG-CD 3.3Å; S404-Q532 PolarHBondContact OG-NE2 2.81Å; S404-Q532 VanDerWaalsContact OG-NE2 3.09Å; S404-Q532 PolarHBondContact OG-OE1 3.19Å
405G97.1Very high97Very high0 Ų024.2 Ų24.20%014%0.139CC..Hα-helixtrans-61.7-44.5173.100000112.4A401 G402 T403 L407 G408 V409A401-G405 PolarHBondContact O-N 3.31Å; A401-G405 VanDerWaalsContact O-N 3.09Å; G402-G405 PolarHBondContact O-N 3.1Å; T403-G405 PolarHBondContact O-N 2.95Å; G405-L407 VanDerWaalsContact C-N 3.32Å; G405-L407 PolarHBondContact O-N 3Å; G405-G408 PolarHBondContact O-N 3.22Å; G405-V409 WeakPolarHBondContact O-CG2 3.37Å; G405-V409 PolarHBondContact O-N 3.32Å
406R97.4Very high96.7Very high68 Ų6824.1 Ų24.126%0.25714%0.144SC..Hα-helixtrans-61.5-38.2177.8-68.4-178.5-164.7100.25112.9G402 T403 V409 L410 I430 A436 M437G402-R406 VanDerWaalsContact C-NH1 3.25Å; G402-R406 WeakPolarHBondContact O-CG 3.37Å; G402-R406 PolarHBondContact O-N 2.9Å; G402-R406 VanDerWaalsContact O-N 3.15Å; G402-R406 PolarHBondContact O-NH1 3.33Å; T403-R406 PolarHBondContact O-N 3.09Å; R406-V409 PolarHBondContact O-N 3.41Å; R406-L410 WeakPolarHBondContact O-CB 3.4Å; R406-L410 PolarHBondContact O-N 2.98Å; R406-I430 HydrophobicContact CG-CD1 3.59Å; R406-A436 VanDerWaalsContact CZ-O 3.27Å; R406-A436 PolarHBondContact NE-O 3.33Å; R406-A436 PolarHBondContact NH2-O 2.75Å; R406-M437 HydrophobicContact CB-CE 4.42Å; R406-M437 HydrophobicContact CB-SD 4.45Å; R406-M437 HydrophobicContact CG-CE 4.26Å; R406-M437 HydrophobicContact CG-SD 3.93Å; R406-M437 PolarHBondContact NE-O 2.9Å
407L98.2Very high96.2Very high26 Ų2627.2 Ų27.214%0.13616%0.164CC..Hα-helixtrans-67.4-38.4176.8-73.1171.9000111.9T403 S404 G405 L410 D411 G529 Q532 K533 L536T403-L407 HydrophobicContact CG2-CD1 4.01Å; T403-L407 HydrophobicContact CG2-CG 4.28Å; T403-L407 WeakPolarHBondContact O-CG 3.22Å; T403-L407 PolarHBondContact O-N 2.8Å; S404-L407 PolarHBondContact O-N 3.06Å; G405-L407 VanDerWaalsContact C-N 3.32Å; G405-L407 PolarHBondContact O-N 3Å; L407-L410 HydrophobicContact CD2-CD2 4.32Å; L407-L410 PolarHBondContact O-N 2.85Å; L407-D411 PolarHBondContact O-N 3.41Å; L407-G529 WeakPolarHBondContact CD1-O 3.49Å; L407-Q532 HydrophobicContact CD1-CB 3.92Å; L407-K533 HydrophobicContact CD2-CB 4.16Å; L407-K533 HydrophobicContact CD2-CG 4.5Å; L407-L536 HydrophobicContact CB-CD1 3.96Å
408G98.2Very high95.7Very high1 Ų129 Ų291%0.0117%0.174CC..Hα-helixtrans-61.4-45.3171.900000112.4Y398 S404 G405 L410 A412Y398-G408 WeakPolarHBondContact CD2-O 3.33Å; S404-G408 PolarHBondContact O-N 3.11Å; S404-G408 VanDerWaalsContact O-N 3.15Å; G405-G408 PolarHBondContact O-N 3.22Å; G408-L410 PolarHBondContact O-N 3.5Å; G408-A412 WeakPolarHBondContact O-CB 3.25Å; G408-A412 PolarHBondContact O-N 2.84Å; G408-A412 VanDerWaalsContact O-N 3.1Å
409V97.6Very high95.5Very high33 Ų3329.5 Ų29.520%0.218%0.177CC..Hα-helixtrans-62.4-41.1174.7175.60000111.9G405 R406 A413 I430 M437G405-V409 WeakPolarHBondContact O-CG2 3.37Å; G405-V409 PolarHBondContact O-N 3.32Å; R406-V409 PolarHBondContact O-N 3.41Å; V409-A413 WeakPolarHBondContact O-CB 3.46Å; V409-A413 PolarHBondContact O-N 3.13Å; V409-I430 HydrophobicContact CG2-CB 4.46Å; V409-I430 HydrophobicContact CG2-CG2 4.4Å; V409-M437 HydrophobicContact CB-CE 3.97Å; V409-M437 HydrophobicContact CB-SD 3.86Å; V409-M437 HydrophobicContact CG1-CE 3.63Å; V409-M437 HydrophobicContact CG1-SD 3.8Å; V409-M437 HydrophobicContact CG2-SD 3.86Å
410L97.8Very high95.1Very high74 Ų7430.2 Ų30.239%0.38718%0.184SC..Hα-helixtrans-60.2-51.4178.5175.564.9000111.8R406 L407 G408 A413 E414R406-L410 WeakPolarHBondContact O-CB 3.4Å; R406-L410 PolarHBondContact O-N 2.98Å; L407-L410 HydrophobicContact CD2-CD2 4.32Å; L407-L410 PolarHBondContact O-N 2.85Å; G408-L410 PolarHBondContact O-N 3.5Å; L410-A413 PolarHBondContact O-N 3.12Å; L410-E414 WeakPolarHBondContact O-CG 3.37Å; L410-E414 PolarHBondContact O-N 3.29Å
411D98.4Very high94.8Very high5 Ų530.4 Ų30.43%0.02719%0.186CC..Hα-helixtrans-64.3-42.2-179.4-173.386.5000111.9Y398 L407 A413 E414 C415 L536 N537 S540Y398-D411 HydrophobicContact CE2-CB 4.23Å; Y398-D411 WeakPolarHBondContact CE2-OD2 3.32Å; Y398-D411 PolarHBondContact OH-OD2 3.27Å; L407-D411 PolarHBondContact O-N 3.41Å; D411-A413 PolarHBondContact O-N 2.93Å; D411-E414 PolarHBondContact O-N 3.25Å; D411-C415 PolarHBondContact O-N 2.9Å; D411-C415 PolarHBondContact O-SG 2.87Å; D411-C415 VanDerWaalsContact O-SG 3.35Å; D411-L536 HydrophobicContact CB-CB 4.08Å; D411-N537 PolarHBondContact OD1-N 2.95Å; D411-N537 PolarHBondContact OD1-ND2 2.92Å; D411-S540 PolarHBondContact OD1-OG 3.03Å; D411-S540 WeakPolarHBondContact OD2-CB 3.34Å; D411-S540 PolarHBondContact OD2-OG 2.91Å
412A97.7Very high94.8Very high6 Ų635.6 Ų35.65%0.0521%0.208CC..Hα-helixtrans-58.1-46.6174.500000112.5Y398 G408 E414 C415 V426Y398-A412 HydrophobicContact CD2-CB 4.4Å; G408-A412 WeakPolarHBondContact O-CB 3.25Å; G408-A412 PolarHBondContact O-N 2.84Å; G408-A412 VanDerWaalsContact O-N 3.1Å; A412-E414 VanDerWaalsContact C-N 3.28Å; A412-E414 PolarHBondContact O-N 3.46Å; A412-C415 WeakPolarHBondContact O-CB 3.31Å; A412-C415 PolarHBondContact O-N 3.06Å; A412-C415 VanDerWaalsContact O-N 3.14Å; A412-V426 HydrophobicContact CB-CB 4.45Å; A412-V426 HydrophobicContact CB-CG1 3.88Å; A412-V426 WeakPolarHBondContact CB-O 3.4Å
413A95.2Very high94.9Very high64 Ų6437 Ų3753%0.52922%0.217SC..Hα-helixtrans-63.7-32.5179.500000112.9V409 L410 D411 C415 P417V409-A413 WeakPolarHBondContact O-CB 3.46Å; V409-A413 PolarHBondContact O-N 3.13Å; L410-A413 PolarHBondContact O-N 3.12Å; D411-A413 PolarHBondContact O-N 2.93Å; A413-C415 VanDerWaalsContact C-N 3.31Å; A413-P417 VanDerWaalsContact O-CD 3.32Å; A413-P417 WeakPolarHBondContact O-CD 3.35Å
414E94.1Very high94.9Very high89 Ų8940.5 Ų40.542%0.41623%0.23SC..Hα-helixtrans-73.2-21.6177.5-72.5-179172.700112.6L410 D411 A412 V416 P417 T418L410-E414 WeakPolarHBondContact O-CG 3.37Å; L410-E414 PolarHBondContact O-N 3.29Å; D411-E414 PolarHBondContact O-N 3.25Å; A412-E414 VanDerWaalsContact C-N 3.28Å; A412-E414 PolarHBondContact O-N 3.46Å; E414-V416 PolarHBondContact O-N 3.09Å; E414-P417 WeakPolarHBondContact O-CD 3.45Å; E414-T418 WeakPolarHBondContact O-CB 3.29Å; E414-T418 PolarHBondContact O-N 3.02Å; E414-T418 PolarHBondContact O-OG1 3.3Å
415C95.2Very high94.9Very high2 Ų242.1 Ų42.11%0.01424%0.237CC..Hα-helixtrans-64.4-36.9-178.8-72.90000113.4D411 A412 A413 T418 F419 V421 V426 M544D411-C415 PolarHBondContact O-N 2.9Å; D411-C415 PolarHBondContact O-SG 2.87Å; D411-C415 VanDerWaalsContact O-SG 3.35Å; A412-C415 WeakPolarHBondContact O-CB 3.31Å; A412-C415 PolarHBondContact O-N 3.06Å; A412-C415 VanDerWaalsContact O-N 3.14Å; A413-C415 VanDerWaalsContact C-N 3.31Å; C415-T418 PolarHBondContact O-N 3.28Å; C415-F419 HydrophobicContact CB-CD2 4.19Å; C415-F419 PolarHBondContact O-N 3.17Å; C415-V421 HydrophobicContact CB-CG2 4.09Å; C415-V426 HydrophobicContact CB-CB 4.21Å; C415-V426 HydrophobicContact CB-CG2 4.07Å; C415-M544 HydrophobicContact CB-CE 4.31Å
416V91.6Very high94.9Very high44 Ų4442.4 Ų42.427%0.26724%0.239SC..Hα-helixtrans-61.9-59-177.8176.60000112.5E414 T418 G420 A423E414-V416 PolarHBondContact O-N 3.09Å; V416-T418 VanDerWaalsContact C-N 3.27Å; V416-T418 PolarHBondContact O-N 2.79Å; V416-G420 VanDerWaalsContact O-CA 3.3Å; V416-G420 WeakPolarHBondContact O-CA 3.28Å; V416-G420 PolarHBondContact O-N 3.03Å; V416-A423 HydrophobicContact CG2-CB 4.13Å
417P88Confident95Very high65 Ų6540.4 Ų40.442%0.42223%0.234SC..Hα-helixtrans-70.2-24.8179.629-36.6000113.1A413 E414A413-P417 VanDerWaalsContact O-CD 3.32Å; A413-P417 WeakPolarHBondContact O-CD 3.35Å; E414-P417 WeakPolarHBondContact O-CD 3.45Å
418T89.1Confident94.9Very high36 Ų3640.1 Ų40.122%0.22124%0.238CC..Hα-helixtrans-81.4-50.4-176-58.50000111.6E414 C415 V416 M555E414-T418 WeakPolarHBondContact O-CB 3.29Å; E414-T418 PolarHBondContact O-N 3.02Å; E414-T418 PolarHBondContact O-OG1 3.3Å; C415-T418 PolarHBondContact O-N 3.28Å; V416-T418 VanDerWaalsContact C-N 3.27Å; V416-T418 PolarHBondContact O-N 2.79Å; T418-M555 HydrophobicContact CG2-CE 3.32Å; T418-M555 HydrophobicContact CG2-SD 3.99Å; T418-M555 WeakPolarHBondContact O-CG 3.45Å
419F93Very high94.9Very high11 Ų1141.2 Ų41.25%0.04824%0.243CC..Hα-helixtrans-109.94.8-172.9-52.9-69.5000113.6C415 V421 T541 M544 K549 V550 D557C415-F419 HydrophobicContact CB-CD2 4.19Å; C415-F419 PolarHBondContact O-N 3.17Å; F419-V421 HydrophobicContact CB-CG1 4.18Å; F419-V421 PolarHBondContact O-N 2.9Å; F419-T541 HydrophobicContact CZ-CG2 4.41Å; F419-M544 HydrophobicContact CB-CB 4.38Å; F419-M544 HydrophobicContact CB-CE 4.38Å; F419-M544 HydrophobicContact CB-CG 4.07Å; F419-M544 HydrophobicContact CB-SD 3.7Å; F419-M544 HydrophobicContact CD1-CB 3.51Å; F419-M544 HydrophobicContact CD1-CG 3.9Å; F419-M544 HydrophobicContact CD2-CB 4.05Å; F419-M544 HydrophobicContact CD2-CE 4.17Å; F419-M544 HydrophobicContact CD2-CG 3.47Å; F419-M544 VanDerWaalsContact CD2-CG 3.47Å; F419-M544 HydrophobicContact CD2-SD 4.05Å; F419-M544 HydrophobicContact CE1-CB 3.66Å; F419-M544 HydrophobicContact CE1-CG 4.17Å; F419-M544 HydrophobicContact CE2-CB 4.17Å; F419-M544 HydrophobicContact CE2-CG 3.78Å; F419-M544 HydrophobicContact CG-CB 3.71Å; F419-M544 HydrophobicContact CG-CG 3.53Å; F419-M544 HydrophobicContact CG-SD 3.87Å; F419-M544 HydrophobicContact CZ-CB 3.99Å; F419-M544 HydrophobicContact CZ-CG 4.12Å; F419-K549 HydrophobicContact CB-CB 4.24Å; F419-K549 HydrophobicContact CB-CG 4.24Å; F419-K549 HydrophobicContact CD1-CB 4.16Å; F419-V550 HydrophobicContact CE1-CG2 4.41Å; F419-D557 WeakPolarHBondContact O-CB 2.85Å
420G89.9Confident94.9Very high15 Ų1540 Ų4016%0.15524%0.236CC..  trans62.726.9177.800000113.9V416 D557 K559V416-G420 VanDerWaalsContact O-CA 3.3Å; V416-G420 WeakPolarHBondContact O-CA 3.28Å; V416-G420 PolarHBondContact O-N 3.03Å; G420-D557 WeakPolarHBondContact CA-O 3.17Å; G420-D557 PolarHBondContact N-O 3.41Å; G420-K559 WeakPolarHBondContact O-CE 3.24Å
421V93.3Very high94.8Very high5 Ų536.8 Ų36.83%0.0322%0.219CC..  trans-85.7168.1179.2-62.60000111.2C415 F419 M425 M544 K559C415-V421 HydrophobicContact CB-CG2 4.09Å; F419-V421 HydrophobicContact CB-CG1 4.18Å; F419-V421 PolarHBondContact O-N 2.9Å; V421-M425 HydrophobicContact CB-CB 4.18Å; V421-M425 HydrophobicContact CB-SD 3.74Å; V421-M425 HydrophobicContact CG1-SD 3.43Å; V421-M425 WeakPolarHBondContact CG1-SD 3.21Å; V421-M425 HydrophobicContact CG2-CB 4.39Å; V421-M544 HydrophobicContact CG1-CE 3.89Å; V421-M544 HydrophobicContact CG1-SD 3.89Å; V421-M544 HydrophobicContact CG2-CE 4.01Å; V421-K559 PolarHBondContact O-NZ 3.46Å
422E94.1Very high94.4Very high119 Ų11937.9 Ų37.956%0.55623%0.232SC*.  trans-79.2154.2168.2-58.1-49.9122.900110E424 M425 K559E422-E424 WeakPolarHBondContact CB-OE2 3.41Å; E422-E424 PolarHBondContact O-N 2.76Å; E422-M425 WeakPolarHBondContact O-CB 3.21Å; E422-M425 PolarHBondContact O-N 2.93Å; E422-M425 VanDerWaalsContact O-N 3.13Å; E422-K559 IonicContact OE1-NZ 2.68Å; E422-K559 PolarHBondContact OE1-NZ 3.37Å; E422-K559 IonicContact OE2-NZ 3.74Å
423A93.8Very high94.1Very high58 Ų5839.1 Ų39.148%0.47925%0.246SC..THydrogen-bonded Turntrans-64.5-23-173.500000112.7V416 M425 V426V416-A423 HydrophobicContact CG2-CB 4.13Å; A423-M425 VanDerWaalsContact C-N 3.3Å; A423-M425 PolarHBondContact O-N 3.06Å; A423-V426 VanDerWaalsContact O-O 3.07Å
424E95.2Very high93.9Very high119 Ų11944.7 Ų44.756%0.55626%0.26SS*.THydrogen-bonded Turntrans-77.2-16.6-179.7-60.173.8-163.400112.5R395 E422 V427R395-E424 WeakPolarHBondContact CD-O 3.47Å; R395-E424 WeakPolarHBondContact CG-O 3.45Å; E422-E424 WeakPolarHBondContact CB-OE2 3.41Å; E422-E424 PolarHBondContact O-N 2.76Å; E424-V427 WeakPolarHBondContact O-CG2 3.39Å
425M97.5Very high93.7Very high44 Ų4446.7 Ų46.722%0.21727%0.27CS..SBendtrans-71.3-34.6-177.3-170.5169.6-172.100112.3F390 R395 L396 V421 E422 A423 M544 I547F390-M425 HydrophobicContact CB-CE 3.92Å; F390-M425 HydrophobicContact CD1-CE 3.38Å; F390-M425 HydrophobicContact CD1-CG 4.1Å; F390-M425 HydrophobicContact CD2-CE 4.07Å; F390-M425 HydrophobicContact CE1-CE 3.81Å; F390-M425 HydrophobicContact CE1-CG 3.77Å; F390-M425 WeakPolarHBondContact CE1-O 3.39Å; F390-M425 HydrophobicContact CE2-CE 4.41Å; F390-M425 HydrophobicContact CG-CE 3.54Å; F390-M425 HydrophobicContact CZ-CE 4.31Å; F390-M425 HydrophobicContact CZ-CG 4.46Å; R395-M425 WeakPolarHBondContact CA-O 3.41Å; L396-M425 PolarHBondContact N-O 2.89Å; V421-M425 HydrophobicContact CB-CB 4.18Å; V421-M425 HydrophobicContact CB-SD 3.74Å; V421-M425 HydrophobicContact CG1-SD 3.43Å; V421-M425 WeakPolarHBondContact CG1-SD 3.21Å; V421-M425 HydrophobicContact CG2-CB 4.39Å; E422-M425 WeakPolarHBondContact O-CB 3.21Å; E422-M425 PolarHBondContact O-N 2.93Å; E422-M425 VanDerWaalsContact O-N 3.13Å; A423-M425 VanDerWaalsContact C-N 3.3Å; A423-M425 PolarHBondContact O-N 3.06Å; M425-M544 HydrophobicContact SD-CE 4.42Å; M425-I547 HydrophobicContact CE-CD1 3.4Å; M425-I547 VanDerWaalsContact CE-CD1 3.4Å
426V98.4Very high93.5Very high6 Ų646.8 Ų46.84%0.03627%0.271CS..EExtended strand (participates in β ladder)trans-131.9114.8175.5-170.90000108.5F390 L396 Y398 A412 C415 A423 M544F390-V426 HydrophobicContact CZ-CG2 4.07Å; L396-V426 HydrophobicContact CB-CG1 4.32Å; L396-V426 HydrophobicContact CB-CG2 4.38Å; L396-V426 HydrophobicContact CD2-CG1 4.14Å; L396-V426 HydrophobicContact CG-CG1 4.29Å; L396-V426 CarbonylContact O-C 3.49Å; L396-V426 VanDerWaalsContact O-CA 3.28Å; L396-V426 WeakPolarHBondContact O-CA 3.49Å; Y398-V426 HydrophobicContact CD2-CG1 4.2Å; Y398-V426 HydrophobicContact CE2-CG1 3.68Å; A412-V426 HydrophobicContact CB-CB 4.45Å; A412-V426 HydrophobicContact CB-CG1 3.88Å; A412-V426 WeakPolarHBondContact CB-O 3.4Å; C415-V426 HydrophobicContact CB-CB 4.21Å; C415-V426 HydrophobicContact CB-CG2 4.07Å; A423-V426 VanDerWaalsContact O-O 3.07Å; V426-M544 HydrophobicContact CG2-CE 3.7Å
427V98.1Very high93.5Very high26 Ų2648 Ų4816%0.15827%0.274CS..EExtended strand (participates in β ladder)trans-118.9134.6-172.5-176.50000109.9L396 I397 Y398 E424 L458L396-V427 PolarHBondContact O-N 3.29Å; I397-V427 CarbonylContact C-O 3.53Å; I397-V427 WeakPolarHBondContact CA-O 3.45Å; I397-V427 HydrophobicContact CG1-CB 4.4Å; Y398-V427 PolarHBondContact N-O 3.03Å; E424-V427 WeakPolarHBondContact O-CG2 3.39Å; V427-L458 HydrophobicContact CG1-CD1 3.83Å; V427-L458 HydrophobicContact CG1-CD2 4.36Å
428G97.8Very high93.5Very high21 Ų2150.8 Ų50.822%0.21629%0.29CS..EExtended strand (participates in β ladder)trans-107123.5170.400000111.4
429L97.8Very high93.1Very high23 Ų2352.8 Ų52.812%0.1230%0.302CS..EExtended strand (participates in β ladder)trans-102.9138171.5-67.7177.7000110.6I397 Y398 M399 G400 D454 L455 L458I397-L429 HydrophobicContact CG2-CD1 4.01Å; I397-L429 HydrophobicContact CG2-CG 4.3Å; Y398-L429 PolarHBondContact O-N 2.83Å; M399-L429 WeakPolarHBondContact CA-O 3.41Å; M399-L429 HydrophobicContact CB-CB 4Å; G400-L429 PolarHBondContact N-O 2.98Å; G400-L429 VanDerWaalsContact N-O 3.14Å; L429-D454 HydrophobicContact CD1-CB 3.89Å; L429-D454 HydrophobicContact CD2-CB 4.27Å; L429-L455 HydrophobicContact CD1-CD2 3.76Å; L429-L455 HydrophobicContact CD1-CG 4.25Å; L429-L458 HydrophobicContact CD1-CD1 3.72Å; L429-L458 HydrophobicContact CD2-CD1 3.82Å; L429-L458 HydrophobicContact CD2-CG 4.32Å; L429-L458 HydrophobicContact CG-CD1 3.89Å
430I97.1Very high92.5Very high9 Ų956 Ų565%0.04633%0.331CS..EExtended strand (participates in β ladder)trans-129.4129.9177.1-176.1170.3000110.2G400 R406 V409 G432 G433 A436 M437G400-I430 VanDerWaalsContact O-CA 3.3Å; G400-I430 WeakPolarHBondContact O-CA 3.21Å; R406-I430 HydrophobicContact CG-CD1 3.59Å; V409-I430 HydrophobicContact CG2-CB 4.46Å; V409-I430 HydrophobicContact CG2-CG2 4.4Å; I430-G432 PolarHBondContact O-N 3.29Å; I430-G433 WeakPolarHBondContact CG2-O 3.41Å; I430-G433 PolarHBondContact O-N 3.04Å; I430-A436 HydrophobicContact CD1-CB 3.68Å; I430-A436 HydrophobicContact CG1-CB 3.78Å; I430-A436 HydrophobicContact CG2-CB 4.22Å; I430-M437 HydrophobicContact CD1-SD 4.06Å; I430-M437 HydrophobicContact CG2-CG 4.45Å; I430-M437 HydrophobicContact CG2-SD 4.24Å
431A95.1Very high92.1Very high5 Ų558 Ų584%0.04134%0.34CS..THydrogen-bonded Turntrans-54.5124.3175.100000110.9G400 A401 A436 A444 Y477G400-A431 PolarHBondContact O-N 2.9Å; A401-A431 HydrophobicContact CB-CB 3.78Å; A431-A436 WeakPolarHBondContact O-CB 3.48Å; A431-A444 HydrophobicContact CB-CB 4.03Å; A431-Y477 HydrophobicContact CB-CD1 3.76Å; A431-Y477 HydrophobicContact CB-CD2 3.76Å; A431-Y477 HydrophobicContact CB-CE1 3.97Å; A431-Y477 HydrophobicContact CB-CE2 3.96Å; A431-Y477 HydrophobicContact CB-CG 3.65Å
432G91Very high90.9Very high28 Ų2867 Ų6729%0.28938%0.382SS..THydrogen-bonded Turntrans91.63.6-174.800000114.9I430I430-G432 PolarHBondContact O-N 3.29Å
433G91.8Very high90Very high33 Ų3363.5 Ų63.534%0.3438%0.377SS..  trans70.5-161.1172.600000114.4I430 Q435 A436I430-G433 WeakPolarHBondContact CG2-O 3.41Å; I430-G433 PolarHBondContact O-N 3.04Å; G433-Q435 PolarHBondContact O-N 2.8Å; G433-Q435 VanDerWaalsContact O-N 3.09Å; G433-A436 WeakPolarHBondContact O-CB 3.49Å; G433-A436 PolarHBondContact O-N 2.8Å
434E90.8Very high89.6Confident180 Ų18061.3 Ų61.384%0.84136%0.359SS*.G310 helixtrans-54.6-34.3-174-66-174.6167.900113.8A436 M437E434-A436 PolarHBondContact O-N 3.39Å; E434-M437 VanDerWaalsContact O-CB 3.3Å; E434-M437 WeakPolarHBondContact O-CB 3.24Å; E434-M437 PolarHBondContact O-N 2.88Å; E434-M437 VanDerWaalsContact O-N 3.1Å
435Q89.2Confident89.3Confident132 Ų13260.3 Ų60.362%0.61735%0.354SS*.G310 helixtrans-60.8-33.4178.3-172.5174.20.200111.9G433 M437 T438 V439G433-Q435 PolarHBondContact O-N 2.8Å; G433-Q435 VanDerWaalsContact O-N 3.09Å; Q435-M437 PolarHBondContact O-N 3.49Å; Q435-M437 VanDerWaalsContact O-N 3.12Å; Q435-T438 PolarHBondContact O-N 3.31Å; Q435-T438 VanDerWaalsContact O-N 3.12Å; Q435-T438 PolarHBondContact O-OG1 2.8Å; Q435-V439 PolarHBondContact O-N 2.84Å
436A90.9Very high88.8Confident3 Ų363.4 Ų63.43%0.02537%0.372CS..G310 helixtrans-62.8-18.6179.200000113.2R406 I430 A431 G433 E434 T438 V439 V441R406-A436 VanDerWaalsContact CZ-O 3.27Å; R406-A436 PolarHBondContact NE-O 3.33Å; R406-A436 PolarHBondContact NH2-O 2.75Å; I430-A436 HydrophobicContact CD1-CB 3.68Å; I430-A436 HydrophobicContact CG1-CB 3.78Å; I430-A436 HydrophobicContact CG2-CB 4.22Å; A431-A436 WeakPolarHBondContact O-CB 3.48Å; G433-A436 WeakPolarHBondContact O-CB 3.49Å; G433-A436 PolarHBondContact O-N 2.8Å; E434-A436 PolarHBondContact O-N 3.39Å; A436-T438 VanDerWaalsContact C-N 3.31Å; A436-T438 PolarHBondContact O-N 2.95Å; A436-V439 CarbonylContact C-O 3.54Å; A436-V439 WeakPolarHBondContact CA-O 3.17Å; A436-V441 HydrophobicContact CB-CG2 4Å
437M91.5Very high88.4Confident71 Ų7166.4 Ų66.435%0.3539%0.388SS..G310 helixtrans-65.9-32.6175.4-70-58-63.500112.9R406 V409 I430 E434 Q435R406-M437 HydrophobicContact CB-CE 4.42Å; R406-M437 HydrophobicContact CB-SD 4.45Å; R406-M437 HydrophobicContact CG-CE 4.26Å; R406-M437 HydrophobicContact CG-SD 3.93Å; R406-M437 PolarHBondContact NE-O 2.9Å; V409-M437 HydrophobicContact CB-CE 3.97Å; V409-M437 HydrophobicContact CB-SD 3.86Å; V409-M437 HydrophobicContact CG1-CE 3.63Å; V409-M437 HydrophobicContact CG1-SD 3.8Å; V409-M437 HydrophobicContact CG2-SD 3.86Å; I430-M437 HydrophobicContact CD1-SD 4.06Å; I430-M437 HydrophobicContact CG2-CG 4.45Å; I430-M437 HydrophobicContact CG2-SD 4.24Å; E434-M437 VanDerWaalsContact O-CB 3.3Å; E434-M437 WeakPolarHBondContact O-CB 3.24Å; E434-M437 PolarHBondContact O-N 2.88Å; E434-M437 VanDerWaalsContact O-N 3.1Å; Q435-M437 PolarHBondContact O-N 3.49Å; Q435-M437 VanDerWaalsContact O-N 3.12Å
438T87.5Confident88Confident123 Ų12367 Ų6776%0.75540%0.395SS*.THydrogen-bonded Turntrans-113-26.2-174.558.30000113.7Q435 A436Q435-T438 PolarHBondContact O-N 3.31Å; Q435-T438 VanDerWaalsContact O-N 3.12Å; Q435-T438 PolarHBondContact O-OG1 2.8Å; A436-T438 VanDerWaalsContact C-N 3.31Å; A436-T438 PolarHBondContact O-N 2.95Å
439V82.2Confident87.8Confident78 Ų7872.3 Ų72.347%0.47342%0.419SS..SBendtrans-133.7141.1-178.8-173.10000109Q435 A436 V441Q435-V439 PolarHBondContact O-N 2.84Å; A436-V439 CarbonylContact C-O 3.54Å; A436-V439 WeakPolarHBondContact CA-O 3.17Å; V439-V441 PolarHBondContact O-N 3.18Å
440A79.8Confident87.6Confident79 Ų7973.4 Ų73.465%0.65342%0.424SS*.  trans-67.1132.4172.600000110.3
441V80.4Confident87.5Confident56 Ų5673 Ų7334%0.33942%0.422SS..  trans-103.5105.3176.3-177.20000107.8A436 V439 A444A436-V441 HydrophobicContact CB-CG2 4Å; V439-V441 PolarHBondContact O-N 3.18Å; V441-A444 HydrophobicContact CB-CB 4.26Å; V441-A444 HydrophobicContact CG1-CB 4Å
442E69.7Low87.6Confident195 Ų19573.3 Ų73.391%0.91143%0.425SS*.THydrogen-bonded Turntrans-62.6135.9-177.9-68-172.7172.500111.6A444E442-A444 VanDerWaalsContact C-N 3.26Å; E442-A444 PolarHBondContact O-N 2.83Å
443G75.6Confident87.9Confident45 Ų4575.8 Ų75.846%0.46443%0.429SS..THydrogen-bonded Turntrans79.4-10.8175.800000115.9E445 D446G443-E445 PolarHBondContact O-N 2.82Å; G443-D446 PolarHBondContact O-N 3.01Å; G443-D446 VanDerWaalsContact O-N 3.17Å
444A83.5Confident88.1Confident12 Ų1275.6 Ų75.610%0.09942%0.42CS..G310 helixtrans-63.8-29.9178.800000112.9A431 V441 E442 D446 L450A431-A444 HydrophobicContact CB-CB 4.03Å; V441-A444 HydrophobicContact CB-CB 4.26Å; V441-A444 HydrophobicContact CG1-CB 4Å; E442-A444 VanDerWaalsContact C-N 3.26Å; E442-A444 PolarHBondContact O-N 2.83Å; A444-D446 VanDerWaalsContact C-N 3.3Å; A444-L450 HydrophobicContact CB-CD2 4.38Å
445E89.6Confident88.5Confident97 Ų9767 Ų6745%0.45338%0.38SS..G310 helixtrans-73.7-22.2178.572.6178-14300113.6A401 G443 T475 P476 Y477A401-E445 HydrophobicContact CB-CB 3.51Å; G443-E445 PolarHBondContact O-N 2.82Å; E445-T475 HydrophobicContact CB-CG2 3.83Å; E445-T475 WeakPolarHBondContact O-CG2 3.39Å; E445-P476 VanDerWaalsContact O-CD 3.28Å; E445-P476 WeakPolarHBondContact O-CD 3.06Å; E445-Y477 PolarHBondContact O-N 2.96Å
446D88Confident88.9Confident110 Ų11065.1 Ų65.159%0.58837%0.37SS*.G310 helixtrans-85.6-7.3-179.3-66.5-45.7000112.9G443 A444 P476G443-D446 PolarHBondContact O-N 3.01Å; G443-D446 VanDerWaalsContact O-N 3.17Å; A444-D446 VanDerWaalsContact C-N 3.3Å; D446-P476 WeakPolarHBondContact O-CB 3.38Å
447D89.1Confident89.2Confident69 Ų6969.8 Ų69.837%0.36939%0.394SS..  trans-94.7100.9-178-168.8-21000111.4D449 L450 Y477D447-D449 PolarHBondContact OD1-N 2.74Å; D447-L450 HydrophobicContact CB-CB 3.86Å; D447-L450 PolarHBondContact OD1-N 2.77Å; D447-Y477 VanDerWaalsContact O-CA 3.27Å; D447-Y477 WeakPolarHBondContact O-CA 3.3Å
448A89.9Confident89.4Confident37 Ų3768.5 Ų68.531%0.30639%0.389SS..Hα-helixtrans-69-32.5176.400000113L450 G451 P476 G480A448-L450 VanDerWaalsContact C-N 3.31Å; A448-L450 PolarHBondContact O-N 2.89Å; A448-G451 PolarHBondContact O-N 3.15Å; A448-P476 WeakPolarHBondContact CA-O 3.27Å; A448-P476 HydrophobicContact CB-CB 4.27Å; A448-G480 WeakPolarHBondContact O-CA 3.43Å
449D93.5Very high89.9Confident134 Ų13469.9 Ų69.972%0.71739%0.386SS*.Hα-helixtrans-69.8-34-178.8-72.6-33.4000110.9D447 G451 A452 Q453D447-D449 PolarHBondContact OD1-N 2.74Å; D449-G451 VanDerWaalsContact C-N 3.34Å; D449-G451 PolarHBondContact O-N 2.85Å; D449-A452 PolarHBondContact O-N 3.36Å; D449-Q453 WeakPolarHBondContact O-CB 3.44Å; D449-Q453 PolarHBondContact O-N 2.65Å
450L94Very high90.6Very high45 Ų4566.7 Ų66.724%0.23637%0.367CS..Hα-helixtrans-58.3-42.9176.2-176.865.6000112.4A444 D447 A448 A452 Q453 D454 Y477A444-L450 HydrophobicContact CB-CD2 4.38Å; D447-L450 HydrophobicContact CB-CB 3.86Å; D447-L450 PolarHBondContact OD1-N 2.77Å; A448-L450 VanDerWaalsContact C-N 3.31Å; A448-L450 PolarHBondContact O-N 2.89Å; L450-A452 VanDerWaalsContact C-N 3.34Å; L450-A452 PolarHBondContact O-N 2.93Å; L450-Q453 PolarHBondContact O-N 2.98Å; L450-Q453 VanDerWaalsContact O-N 3.11Å; L450-D454 PolarHBondContact O-N 3.36Å; L450-Y477 HydrophobicContact CB-CD2 4.1Å; L450-Y477 HydrophobicContact CB-CE2 4.38Å; L450-Y477 HydrophobicContact CD2-CD2 4.07Å; L450-Y477 HydrophobicContact CD2-CE2 4.15Å; L450-Y477 HydrophobicContact CG-CD2 4.02Å; L450-Y477 HydrophobicContact CG-CE2 3.91Å
451G95.3Very high91.5Very high0 Ų065.4 Ų65.40%035%0.351CS..Hα-helixtrans-63.8-38.7178.700000113.1A448 D449 Y477A448-G451 PolarHBondContact O-N 3.15Å; D449-G451 VanDerWaalsContact C-N 3.34Å; D449-G451 PolarHBondContact O-N 2.85Å; G451-Y477 VanDerWaalsContact CA-CE2 3.4Å; G451-Y477 WeakPolarHBondContact CA-O 3.24Å
452A96.9Very high92.4Very high12 Ų1268.5 Ų68.510%0.09936%0.361CS..Hα-helixtrans-68.3-36.2172.600000111.9D449 L450 K456 Y484D449-A452 PolarHBondContact O-N 3.36Å; L450-A452 VanDerWaalsContact C-N 3.34Å; L450-A452 PolarHBondContact O-N 2.93Å; A452-K456 WeakPolarHBondContact O-CG 3.42Å; A452-K456 PolarHBondContact O-N 3.43Å; A452-K456 VanDerWaalsContact O-N 3.11Å; A452-Y484 HydrophobicContact CB-CG 4.08Å
453Q96.8Very high93.7Very high80 Ų8062.1 Ų62.137%0.37433%0.333SS..Hα-helixtrans-67.5-45.3179.2-170.457.546.300112.3D449 L450 L455 K456 D457D449-Q453 WeakPolarHBondContact O-CB 3.44Å; D449-Q453 PolarHBondContact O-N 2.65Å; L450-Q453 PolarHBondContact O-N 2.98Å; L450-Q453 VanDerWaalsContact O-N 3.11Å; Q453-L455 VanDerWaalsContact C-N 3.26Å; Q453-L455 PolarHBondContact O-N 3.36Å; Q453-K456 WeakPolarHBondContact O-CB 3.44Å; Q453-K456 PolarHBondContact O-N 3.47Å; Q453-D457 PolarHBondContact NE2-OD1 2.95Å; Q453-D457 PolarHBondContact O-N 2.86Å
454D97.2Very high94.8Very high30 Ų3060.1 Ų60.116%0.1631%0.312CS..Hα-helixtrans-59-38.7178.5-71.4-13.2000111.8L429 L450 D457 L458 Y477L429-D454 HydrophobicContact CD1-CB 3.89Å; L429-D454 HydrophobicContact CD2-CB 4.27Å; L450-D454 PolarHBondContact O-N 3.36Å; D454-D457 PolarHBondContact O-N 3.43Å; D454-L458 PolarHBondContact O-N 3.5Å; D454-L458 VanDerWaalsContact O-N 3.08Å; D454-Y477 VanDerWaalsContact OD2-CE2 3.27Å; D454-Y477 WeakPolarHBondContact OD2-CE2 3.47Å; D454-Y477 PolarHBondContact OD2-OH 2.94Å
455L98Very high95.5Very high0 Ų059.5 Ų59.50%031%0.307CS..Hα-helixtrans-71-33.8176-70.2174.4000113.1I397 M399 L429 Q453 L458 H459 L460 V466 G481 Y484 A485I397-L455 HydrophobicContact CG2-CD2 3.9Å; M399-L455 HydrophobicContact SD-CD1 4.11Å; L429-L455 HydrophobicContact CD1-CD2 3.76Å; L429-L455 HydrophobicContact CD1-CG 4.25Å; Q453-L455 VanDerWaalsContact C-N 3.26Å; Q453-L455 PolarHBondContact O-N 3.36Å; L455-L458 PolarHBondContact O-N 3.41Å; L455-H459 PolarHBondContact O-N 3.34Å; L455-L460 HydrophobicContact CB-CB 4.45Å; L455-L460 HydrophobicContact CB-CD2 4.32Å; L455-L460 HydrophobicContact CD1-CD2 4.3Å; L455-L460 HydrophobicContact CD2-CD1 4.42Å; L455-L460 HydrophobicContact CD2-CD2 4.48Å; L455-L460 WeakPolarHBondContact O-CB 3.26Å; L455-L460 PolarHBondContact O-N 3.44Å; L455-L460 VanDerWaalsContact O-N 3.16Å; L455-V466 HydrophobicContact CD1-CG1 4.32Å; L455-V466 HydrophobicContact CD2-CG1 4.39Å; L455-V466 HydrophobicContact CD2-CG2 4.24Å; L455-G481 WeakPolarHBondContact CD1-O 3.43Å; L455-Y484 HydrophobicContact CB-CD1 3.62Å; L455-Y484 HydrophobicContact CB-CE1 3.84Å; L455-Y484 HydrophobicContact CD1-CD1 4.16Å; L455-A485 HydrophobicContact CD1-CB 4.33Å
456K97.5Very high96Very high91 Ų9154.9 Ų54.940%0.39629%0.286SS..Hα-helixtrans-63.5-43.7171.4-74.6166.9-170.6165.10110.9A452 Q453 L458 H459 Y484A452-K456 WeakPolarHBondContact O-CG 3.42Å; A452-K456 PolarHBondContact O-N 3.43Å; A452-K456 VanDerWaalsContact O-N 3.11Å; Q453-K456 WeakPolarHBondContact O-CB 3.44Å; Q453-K456 PolarHBondContact O-N 3.47Å; K456-L458 PolarHBondContact O-N 3.34Å; K456-H459 WeakPolarHBondContact O-CA 3.5Å; K456-H459 PolarHBondContact O-N 2.85Å; K456-Y484 HydrophobicContact CD-CE2 4.34Å; K456-Y484 HydrophobicContact CG-CD1 4.48Å; K456-Y484 HydrophobicContact CG-CE1 3.69Å; K456-Y484 HydrophobicContact CG-CE2 3.82Å; K456-Y484 VanDerWaalsContact CG-OH 3.28Å; K456-Y484 WeakPolarHBondContact CG-OH 2.88Å
457D96.9Very high96.5Very high101 Ų10149.7 Ų49.754%0.5426%0.258SS..Hα-helixtrans-66.8-30.2-179.1-66-15.1000111.4Q453 D454 H459Q453-D457 PolarHBondContact NE2-OD1 2.95Å; Q453-D457 PolarHBondContact O-N 2.86Å; D454-D457 PolarHBondContact O-N 3.43Å; D457-H459 PolarHBondContact O-CE1 2.89Å; D457-H459 PolarHBondContact O-N 3.24Å; D457-H459 PolarHBondContact O-ND1 2.93Å
458L96.3Very high96.9Very high44 Ų4446.4 Ų46.423%0.2324%0.24CC..THydrogen-bonded Turntrans-75.4-1.8168.7-74.5-172.3000114.8R395 I397 V427 L429 D454 L455 K456 L460R395-L458 PolarHBondContact NH1-O 3.05Å; R395-L458 PolarHBondContact NH2-O 2.91Å; R395-L458 VanDerWaalsContact NH2-O 3.07Å; I397-L458 HydrophobicContact CD1-CD1 4.34Å; I397-L458 HydrophobicContact CG2-CD1 4.12Å; V427-L458 HydrophobicContact CG1-CD1 3.83Å; V427-L458 HydrophobicContact CG1-CD2 4.36Å; L429-L458 HydrophobicContact CD1-CD1 3.72Å; L429-L458 HydrophobicContact CD2-CD1 3.82Å; L429-L458 HydrophobicContact CD2-CG 4.32Å; L429-L458 HydrophobicContact CG-CD1 3.89Å; D454-L458 PolarHBondContact O-N 3.5Å; D454-L458 VanDerWaalsContact O-N 3.08Å; L455-L458 PolarHBondContact O-N 3.41Å; K456-L458 PolarHBondContact O-N 3.34Å; L458-L460 PolarHBondContact O-N 2.97Å
459H97.5Very high97.4Very high152 Ų15244.7 Ų44.770%0.70423%0.226SC*.THydrogen-bonded Turntrans52.753.7-176.1-53.877.5000111.6R395 L455 K456 D457R395-H459 PolarHBondContact NH2-O 3.46Å; R395-H459 VanDerWaalsContact NH2-O 3.16Å; L455-H459 PolarHBondContact O-N 3.34Å; K456-H459 WeakPolarHBondContact O-CA 3.5Å; K456-H459 PolarHBondContact O-N 2.85Å; D457-H459 PolarHBondContact O-CE1 2.89Å; D457-H459 PolarHBondContact O-N 3.24Å; D457-H459 PolarHBondContact O-ND1 2.93Å
460L98.3Very high97.5Very high12 Ų1238.4 Ų38.46%0.06319%0.193CC..  trans-53.5139.1178.4-17372.5000111.9I397 L455 L458 D464 V466 Y484 A485 A490I397-L460 HydrophobicContact CD1-CD1 3.52Å; L455-L460 HydrophobicContact CB-CB 4.45Å; L455-L460 HydrophobicContact CB-CD2 4.32Å; L455-L460 HydrophobicContact CD1-CD2 4.3Å; L455-L460 HydrophobicContact CD2-CD1 4.42Å; L455-L460 HydrophobicContact CD2-CD2 4.48Å; L455-L460 WeakPolarHBondContact O-CB 3.26Å; L455-L460 PolarHBondContact O-N 3.44Å; L455-L460 VanDerWaalsContact O-N 3.16Å; L458-L460 PolarHBondContact O-N 2.97Å; L460-D464 HydrophobicContact CD1-CB 3.55Å; L460-V466 HydrophobicContact CD1-CG2 3.62Å; L460-V466 HydrophobicContact CD2-CG2 4.06Å; L460-Y484 HydrophobicContact CB-CE1 4.34Å; L460-Y484 HydrophobicContact CD2-CD1 4.28Å; L460-Y484 HydrophobicContact CD2-CE1 4.24Å; L460-A485 HydrophobicContact CD2-CB 3.75Å; L460-A490 HydrophobicContact CD1-CB 4.44Å; L460-A490 HydrophobicContact CD2-CB 4.2Å; L460-A490 HydrophobicContact CG-CB 4.38Å
461T98.2Very high97.5Very high51 Ų5136.5 Ų36.531%0.31318%0.184SC..  trans-123.2165.9178.270.50000111.3N463 D464T461-N463 PolarHBondContact O-N 3.25Å; T461-N463 PolarHBondContact OG1-N 3.36Å; T461-D464 PolarHBondContact N-OD2 2.93Å; T461-D464 WeakPolarHBondContact O-CB 3.46Å; T461-D464 PolarHBondContact O-N 3.21Å; T461-D464 PolarHBondContact OG1-OD2 2.9Å
462E98.1Very high97.3Very high121 Ų12137.9 Ų37.957%0.56519%0.193SC*.THydrogen-bonded Turntrans-65.7-12.8175.167.6-89.4-148.900114.2
463N98.1Very high97Very high61 Ų6137.3 Ų37.333%0.32619%0.189SC..THydrogen-bonded Turntrans-85.5-16.6177.1-67.9-31.5000112.6A389 K392 T461A389-N463 WeakPolarHBondContact CA-O 3.48Å; A389-N463 VanDerWaalsContact CB-O 3.25Å; A389-N463 WeakPolarHBondContact CB-O 3.3Å; K392-N463 HydrophobicContact CB-CB 4.21Å; K392-N463 PolarHBondContact O-ND2 2.84Å; T461-N463 PolarHBondContact O-N 3.25Å; T461-N463 PolarHBondContact OG1-N 3.36Å
464D98.6Very high96.7Very high3 Ų337.5 Ų37.52%0.01619%0.186CC..  trans-77.4157.4-176.8-64.3-49.7000112.1R395 I397 L460 T461 A490 A491R395-D464 VanDerWaalsContact CB-OD1 3.26Å; R395-D464 WeakPolarHBondContact CB-OD1 3.32Å; R395-D464 WeakPolarHBondContact CG-OD1 3.39Å; R395-D464 IonicContact CZ-OD1 3.85Å; R395-D464 IonicContact CZ-OD2 2.89Å; R395-D464 PolarHBondContact N-OD1 2.96Å; R395-D464 IonicContact NE-OD1 2.72Å; R395-D464 PolarHBondContact NE-OD1 3.45Å; R395-D464 IonicContact NE-OD2 3.86Å; R395-D464 IonicContact NH2-OD1 2.72Å; R395-D464 IonicContact NH2-OD2 2.86Å; R395-D464 PolarHBondContact NH2-OD2 3.37Å; I397-D464 HydrophobicContact CD1-CB 4.28Å; L460-D464 HydrophobicContact CD1-CB 3.55Å; T461-D464 PolarHBondContact N-OD2 2.93Å; T461-D464 WeakPolarHBondContact O-CB 3.46Å; T461-D464 PolarHBondContact O-N 3.21Å; T461-D464 PolarHBondContact OG1-OD2 2.9Å; D464-A490 WeakPolarHBondContact O-CB 3.49Å; D464-A491 PolarHBondContact O-N 2.93Å; D464-A491 VanDerWaalsContact O-N 3.11Å
465M98.5Very high96.5Very high0 Ų036.7 Ų36.70%018%0.182CC..EExtended strand (participates in β ladder)trans-113.1122.7169.4177.267.1-171.500109.3V382 A385 A389 R395 L396 I397 I467 A491 G493 L509V382-M465 HydrophobicContact CG1-CE 4.2Å; A385-M465 HydrophobicContact CB-SD 4.2Å; A389-M465 HydrophobicContact CB-CB 3.97Å; R395-M465 PolarHBondContact O-N 3.49Å; L396-M465 HydrophobicContact CD1-CB 4.22Å; L396-M465 HydrophobicContact CD1-CG 3.94Å; I397-M465 PolarHBondContact N-O 3.12Å; M465-I467 HydrophobicContact CE-CD1 4.14Å; M465-I467 HydrophobicContact CE-CG1 3.71Å; M465-I467 HydrophobicContact CG-CG1 4.25Å; M465-A491 WeakPolarHBondContact CA-O 3.1Å; M465-A491 VanDerWaalsContact SD-C 3.51Å; M465-A491 HydrophobicContact SD-CB 3.44Å; M465-A491 WeakPolarHBondContact SD-CB 3.43Å; M465-G493 VanDerWaalsContact CE-N 3.33Å; M465-L509 HydrophobicContact CE-CD1 4.36Å
466V98.8Very high96.2Very high0 Ų038.7 Ų38.70%020%0.195CC..EExtended strand (participates in β ladder)trans-107.8127.2176.9-177.10000110.1I397 M399 L455 L460 L482 A485 A491 T492 G493I397-V466 HydrophobicContact CB-CG2 4.41Å; I397-V466 CarbonylContact O-C 3.53Å; I397-V466 WeakPolarHBondContact O-CA 3.49Å; M399-V466 HydrophobicContact CG-CG1 4.22Å; M399-V466 HydrophobicContact SD-CG1 3.91Å; L455-V466 HydrophobicContact CD1-CG1 4.32Å; L455-V466 HydrophobicContact CD2-CG1 4.39Å; L455-V466 HydrophobicContact CD2-CG2 4.24Å; L460-V466 HydrophobicContact CD1-CG2 3.62Å; L460-V466 HydrophobicContact CD2-CG2 4.06Å; V466-L482 HydrophobicContact CG1-CD2 4.48Å; V466-A485 HydrophobicContact CB-CB 3.96Å; V466-A485 HydrophobicContact CG1-CB 4.32Å; V466-A485 HydrophobicContact CG2-CB 3.73Å; V466-A491 PolarHBondContact N-O 3.16Å; V466-T492 WeakPolarHBondContact O-CA 3.41Å; V466-G493 PolarHBondContact O-N 2.89Å
467I98.8Very high96.2Very high1 Ų134.4 Ų34.41%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-117.8111.9177.2-61.5-177.4000110.2V382 L396 I397 Y398 M399 M465 I469 G493 I495 I539V382-I467 HydrophobicContact CG1-CD1 3.47Å; V382-I467 VanDerWaalsContact CG1-CD1 3.47Å; V382-I467 HydrophobicContact CG1-CG1 4.44Å; L396-I467 HydrophobicContact CD1-CD1 3.77Å; L396-I467 HydrophobicContact CD1-CG1 4.16Å; I397-I467 PolarHBondContact O-N 3.44Å; Y398-I467 HydrophobicContact CD1-CB 3.98Å; Y398-I467 HydrophobicContact CD1-CG2 4.34Å; Y398-I467 HydrophobicContact CE1-CB 4.39Å; Y398-I467 HydrophobicContact CE1-CD1 4.08Å; M399-I467 PolarHBondContact N-O 3.46Å; M465-I467 HydrophobicContact CE-CD1 4.14Å; M465-I467 HydrophobicContact CE-CG1 3.71Å; M465-I467 HydrophobicContact CG-CG1 4.25Å; I467-I469 HydrophobicContact CG2-CG1 4.34Å; I467-G493 VanDerWaalsContact CA-O 3.32Å; I467-G493 WeakPolarHBondContact CA-O 3.45Å; I467-I495 HydrophobicContact CG2-CD1 4.01Å; I467-I495 HydrophobicContact CG2-CG1 4.07Å; I467-I539 HydrophobicContact CD1-CD1 3.94Å; I467-I539 HydrophobicContact CD1-CG2 4.18Å
468G98.6Very high96.3Very high0 Ų029.6 Ų29.60%015%0.151CC..EExtended strand (participates in β ladder)trans-85125.7176.400000112.6V478 G493 T494 I495G468-V478 VanDerWaalsContact CA-CG1 3.46Å; G468-G493 PolarHBondContact N-O 3.01Å; G468-T494 CarbonylContact O-C 3.55Å; G468-T494 VanDerWaalsContact O-CA 3.24Å; G468-T494 WeakPolarHBondContact O-CA 3.46Å; G468-I495 PolarHBondContact O-N 3.44Å
469I98.6Very high96.4Very high0 Ų028.9 Ų28.90%015%0.147CC..EExtended strand (participates in β ladder)trans-117.7115.1-174.1-43.9169.6000109.4Y398 M399 G400 S404 I467 I495 Q532 L536Y398-I469 HydrophobicContact CD1-CD1 4.36Å; Y398-I469 HydrophobicContact CG-CD1 4.46Å; M399-I469 PolarHBondContact O-N 3.38Å; G400-I469 WeakPolarHBondContact CA-O 3.47Å; S404-I469 WeakPolarHBondContact CB-O 3.46Å; I467-I469 HydrophobicContact CG2-CG1 4.34Å; I469-I495 HydrophobicContact CG2-CB 4.34Å; I469-Q532 HydrophobicContact CG2-CB 4.42Å; I469-Q532 HydrophobicContact CG2-CG 3.87Å; I469-L536 HydrophobicContact CD1-CD1 4.06Å; I469-L536 HydrophobicContact CD1-CD2 3.77Å; I469-L536 HydrophobicContact CD1-CG 4.44Å
470A96.8Very high96.3Very high2 Ų222.1 Ų22.12%0.01712%0.119CC..EExtended strand (participates in β ladder)trans-150.3117.9171.500000111.2S472 G473 T475 V478 I495 S496 I503A470-S472 VanDerWaalsContact C-N 3.29Å; A470-S472 PolarHBondContact O-N 3.43Å; A470-G473 WeakPolarHBondContact O-CA 3.47Å; A470-G473 PolarHBondContact O-N 3.34Å; A470-T475 WeakPolarHBondContact CB-OG1 3.49Å; A470-V478 HydrophobicContact CB-CG2 4.39Å; A470-I495 PolarHBondContact N-O 3.27Å; A470-S496 WeakPolarHBondContact O-CA 3.45Å; A470-I503 HydrophobicContact CB-CD1 4.11Å
471A94.1Very high96.3Very high6 Ų621.6 Ų21.65%0.0512%0.116CC..THydrogen-bonded Turntrans-56.2-45.6178.700000111.7G473 C497 N498 T524A471-G473 PolarHBondContact O-N 3.21Å; A471-C497 HydrophobicContact CB-CB 4.38Å; A471-C497 WeakPolarHBondContact O-CA 3.25Å; A471-C497 PolarHBondContact O-N 2.86Å; A471-N498 PolarHBondContact O-ND2 3.42Å; A471-T524 HydrophobicContact CB-CG2 3.95Å
472S90.2Very high96.3Very high28 Ų2819.1 Ų19.120%0.19610%0.101CC..THydrogen-bonded Turntrans-64.8-20.8177.369.30000113.5A470 R474 T475 N498A470-S472 VanDerWaalsContact C-N 3.29Å; A470-S472 PolarHBondContact O-N 3.43Å; S472-R474 VanDerWaalsContact C-N 3.28Å; S472-R474 PolarHBondContact O-N 2.88Å; S472-R474 WeakPolarHBondContact OG-CG 3.32Å; S472-R474 PolarHBondContact OG-N 3.04Å; S472-T475 PolarHBondContact OG-OG1 2.69Å; S472-N498 WeakPolarHBondContact CA-ND2 3.18Å; S472-N498 PolarHBondContact O-ND2 3.02Å
473G91.8Very high96.3Very high1 Ų116.9 Ų16.91%0.019%0.093CC..SBendtrans71.814.1-178.100000114.8A470 A471 A501 E502 I503A470-G473 WeakPolarHBondContact O-CA 3.47Å; A470-G473 PolarHBondContact O-N 3.34Å; A471-G473 PolarHBondContact O-N 3.21Å; G473-A501 CarbonylContact O-C 2.93Å; G473-E502 WeakPolarHBondContact O-CA 3.3Å; G473-E502 PolarHBondContact O-N 2.99Å; G473-I503 PolarHBondContact O-N 3.2Å
474R90.2Very high96.4Very high83 Ų8316.2 Ų16.231%0.3139%0.086SC..  trans-140.89.8-171.163.2171.966179.5-3.3115.8S472 P476 E502S472-R474 VanDerWaalsContact C-N 3.28Å; S472-R474 PolarHBondContact O-N 2.88Å; S472-R474 WeakPolarHBondContact OG-CG 3.32Å; S472-R474 PolarHBondContact OG-N 3.04Å; R474-P476 VanDerWaalsContact O-CD 3.29Å; R474-P476 WeakPolarHBondContact O-CD 3.49Å; R474-E502 HydrophobicContact CB-CB 4.22Å
475T92.6Very high96.3Very high14 Ų1416 Ų169%0.0869%0.085CC..  trans-65.8117.5-172.6-58.40000111.8A401 E445 A470 S472 Y477 V478 I479A401-T475 HydrophobicContact CB-CG2 4.05Å; E445-T475 HydrophobicContact CB-CG2 3.83Å; E445-T475 WeakPolarHBondContact O-CG2 3.39Å; A470-T475 WeakPolarHBondContact CB-OG1 3.49Å; S472-T475 PolarHBondContact OG-OG1 2.69Å; T475-Y477 PolarHBondContact O-N 3.4Å; T475-V478 HydrophobicContact CG2-CG2 4.23Å; T475-V478 WeakPolarHBondContact O-CB 3.28Å; T475-V478 PolarHBondContact O-N 3.35Å; T475-I479 PolarHBondContact O-N 3.39Å; T475-I479 VanDerWaalsContact O-N 3.15Å
476P92.7Very high96.3Very high42 Ų4221.5 Ų21.527%0.27311%0.106SC..Hα-helixtrans-54.4-42-176.6-30.737.2000115.4E445 D446 A448 R474 V478 I479 G480E445-P476 VanDerWaalsContact O-CD 3.28Å; E445-P476 WeakPolarHBondContact O-CD 3.06Å; D446-P476 WeakPolarHBondContact O-CB 3.38Å; A448-P476 WeakPolarHBondContact CA-O 3.27Å; A448-P476 HydrophobicContact CB-CB 4.27Å; R474-P476 VanDerWaalsContact O-CD 3.29Å; R474-P476 WeakPolarHBondContact O-CD 3.49Å; P476-V478 PolarHBondContact O-N 3.45Å; P476-I479 WeakPolarHBondContact O-CB 3.41Å; P476-I479 PolarHBondContact O-N 3.4Å; P476-I479 VanDerWaalsContact O-N 3.08Å; P476-G480 PolarHBondContact O-N 3.11Å
477Y97.5Very high96.2Very high0 Ų025.6 Ų25.60%013%0.134CC..Hα-helixtrans-51.9-43.3174.1170.6-95.9000112.7M399 G400 A431 E445 D447 L450 G451 D454 T475 G481M399-Y477 HydrophobicContact CB-CE1 4.33Å; M399-Y477 HydrophobicContact CE-CD1 3.94Å; M399-Y477 HydrophobicContact CE-CE1 3.59Å; M399-Y477 WeakPolarHBondContact CE-O 3.1Å; G400-Y477 WeakPolarHBondContact O-CE1 3.15Å; A431-Y477 HydrophobicContact CB-CD1 3.76Å; A431-Y477 HydrophobicContact CB-CD2 3.76Å; A431-Y477 HydrophobicContact CB-CE1 3.97Å; A431-Y477 HydrophobicContact CB-CE2 3.96Å; A431-Y477 HydrophobicContact CB-CG 3.65Å; E445-Y477 PolarHBondContact O-N 2.96Å; D447-Y477 VanDerWaalsContact O-CA 3.27Å; D447-Y477 WeakPolarHBondContact O-CA 3.3Å; L450-Y477 HydrophobicContact CB-CD2 4.1Å; L450-Y477 HydrophobicContact CB-CE2 4.38Å; L450-Y477 HydrophobicContact CD2-CD2 4.07Å; L450-Y477 HydrophobicContact CD2-CE2 4.15Å; L450-Y477 HydrophobicContact CG-CD2 4.02Å; L450-Y477 HydrophobicContact CG-CE2 3.91Å; G451-Y477 VanDerWaalsContact CA-CE2 3.4Å; G451-Y477 WeakPolarHBondContact CA-O 3.24Å; D454-Y477 VanDerWaalsContact OD2-CE2 3.27Å; D454-Y477 WeakPolarHBondContact OD2-CE2 3.47Å; D454-Y477 PolarHBondContact OD2-OH 2.94Å; T475-Y477 PolarHBondContact O-N 3.4Å; Y477-G481 PolarHBondContact O-N 2.9Å
478V98.1Very high96.2Very high0 Ų028.4 Ų28.40%015%0.149CC..Hα-helixtrans-70.8-41179.2178.70000110.9G468 A470 T475 P476 G481 L482 I503G468-V478 VanDerWaalsContact CA-CG1 3.46Å; A470-V478 HydrophobicContact CB-CG2 4.39Å; T475-V478 HydrophobicContact CG2-CG2 4.23Å; T475-V478 WeakPolarHBondContact O-CB 3.28Å; T475-V478 PolarHBondContact O-N 3.35Å; P476-V478 PolarHBondContact O-N 3.45Å; V478-G481 PolarHBondContact O-N 3.29Å; V478-L482 HydrophobicContact CG1-CD1 3.8Å; V478-L482 HydrophobicContact CG1-CG 4.3Å; V478-L482 WeakPolarHBondContact O-CB 3.27Å; V478-L482 VanDerWaalsContact O-CG 3.25Å; V478-L482 WeakPolarHBondContact O-CG 3.25Å; V478-L482 PolarHBondContact O-N 2.76Å; V478-I503 HydrophobicContact CB-CG2 4.26Å; V478-I503 HydrophobicContact CG1-CB 4.49Å; V478-I503 HydrophobicContact CG1-CD1 4.5Å; V478-I503 HydrophobicContact CG1-CG2 3.99Å
479I97.7Very high96.2Very high29 Ų2930.7 Ų30.715%0.14917%0.172CC..Hα-helixtrans-58.5-51.7177.6-65.6173.6000110.6T475 P476 G481 L482 D483 E502 I503T475-I479 PolarHBondContact O-N 3.39Å; T475-I479 VanDerWaalsContact O-N 3.15Å; P476-I479 WeakPolarHBondContact O-CB 3.41Å; P476-I479 PolarHBondContact O-N 3.4Å; P476-I479 VanDerWaalsContact O-N 3.08Å; I479-G481 VanDerWaalsContact C-N 3.35Å; I479-G481 PolarHBondContact O-N 3.01Å; I479-L482 PolarHBondContact O-N 3.31Å; I479-D483 PolarHBondContact O-N 3.23Å; I479-E502 HydrophobicContact CD1-CB 4.45Å; I479-E502 HydrophobicContact CD1-CG 4.01Å; I479-I503 HydrophobicContact CG1-CG2 3.74Å
480G96.9Very high96.1Very high11 Ų1130.9 Ų30.911%0.11317%0.174CC..Hα-helixtrans-64.3-36.3-17700000113.7A448 P476 Y484A448-G480 WeakPolarHBondContact O-CA 3.43Å; P476-G480 PolarHBondContact O-N 3.11Å; G480-Y484 WeakPolarHBondContact O-CB 3.48Å; G480-Y484 PolarHBondContact O-N 2.96Å; G480-Y484 VanDerWaalsContact O-N 3.08Å
481G98.1Very high96.2Very high0 Ų032.5 Ų32.50%019%0.187CC..Hα-helixtrans-68.9-40.3173.500000113.5L455 Y477 V478 I479 Y484 A485L455-G481 WeakPolarHBondContact CD1-O 3.43Å; Y477-G481 PolarHBondContact O-N 2.9Å; V478-G481 PolarHBondContact O-N 3.29Å; I479-G481 VanDerWaalsContact C-N 3.35Å; I479-G481 PolarHBondContact O-N 3.01Å; G481-Y484 PolarHBondContact O-N 2.63Å; G481-A485 WeakPolarHBondContact O-CB 3.29Å; G481-A485 PolarHBondContact O-N 2.66Å
482L98.5Very high96.4Very high0 Ų032.2 Ų32.20%019%0.185CC..Hα-helixtrans-63.7-43.3175.5-71.5169000112.2V466 V478 I479 Y484 A485 R486 T492 T494 I503 H506 A507V466-L482 HydrophobicContact CG1-CD2 4.48Å; V478-L482 HydrophobicContact CG1-CD1 3.8Å; V478-L482 HydrophobicContact CG1-CG 4.3Å; V478-L482 WeakPolarHBondContact O-CB 3.27Å; V478-L482 VanDerWaalsContact O-CG 3.25Å; V478-L482 WeakPolarHBondContact O-CG 3.25Å; V478-L482 PolarHBondContact O-N 2.76Å; I479-L482 PolarHBondContact O-N 3.31Å; L482-Y484 VanDerWaalsContact C-N 3.32Å; L482-Y484 PolarHBondContact O-N 3.3Å; L482-A485 PolarHBondContact O-N 3.31Å; L482-R486 WeakPolarHBondContact O-CG 3.18Å; L482-R486 PolarHBondContact O-N 3.47Å; L482-T492 HydrophobicContact CD2-CG2 4.33Å; L482-T494 HydrophobicContact CD1-CG2 3.4Å; L482-T494 VanDerWaalsContact CD1-CG2 3.4Å; L482-T494 HydrophobicContact CD2-CG2 4.3Å; L482-I503 HydrophobicContact CD1-CB 4.17Å; L482-H506 HydrophobicContact CB-CB 4.05Å; L482-H506 HydrophobicContact CD1-CB 4.28Å; L482-A507 HydrophobicContact CD1-CB 4.47Å; L482-A507 HydrophobicContact CD2-CB 4.25Å
483D98.1Very high96.8Very high73 Ų7330.9 Ų30.939%0.3918%0.175SC..Hα-helixtrans-60.9-42.3175.7-79.8-21.4000111.5I479 S487 H506I479-D483 PolarHBondContact O-N 3.23Å; D483-S487 PolarHBondContact O-N 3.12Å; D483-H506 VanDerWaalsContact CG-ND1 3.29Å; D483-H506 IonicContact OD1-CE1 3.58Å; D483-H506 IonicContact OD1-CG 2.75Å; D483-H506 IonicContact OD1-ND1 3.94Å; D483-H506 PolarHBondContact OD1-ND1 3.01Å; D483-H506 IonicContact OD2-CE1 3.31Å; D483-H506 IonicContact OD2-ND1 2.83Å; D483-H506 PolarHBondContact OD2-ND1 3.27Å
484Y98.3Very high97.2Very high47 Ų4730.9 Ų30.918%0.18418%0.175CC..Hα-helixtrans-64.2-46.1174.1178.6-108.7000112A452 L455 K456 L460 G480 G481 L482 R486 S487 I488A452-Y484 HydrophobicContact CB-CG 4.08Å; L455-Y484 HydrophobicContact CB-CD1 3.62Å; L455-Y484 HydrophobicContact CB-CE1 3.84Å; L455-Y484 HydrophobicContact CD1-CD1 4.16Å; K456-Y484 HydrophobicContact CD-CE2 4.34Å; K456-Y484 HydrophobicContact CG-CD1 4.48Å; K456-Y484 HydrophobicContact CG-CE1 3.69Å; K456-Y484 HydrophobicContact CG-CE2 3.82Å; K456-Y484 VanDerWaalsContact CG-OH 3.28Å; K456-Y484 WeakPolarHBondContact CG-OH 2.88Å; L460-Y484 HydrophobicContact CB-CE1 4.34Å; L460-Y484 HydrophobicContact CD2-CD1 4.28Å; L460-Y484 HydrophobicContact CD2-CE1 4.24Å; G480-Y484 WeakPolarHBondContact O-CB 3.48Å; G480-Y484 PolarHBondContact O-N 2.96Å; G480-Y484 VanDerWaalsContact O-N 3.08Å; G481-Y484 PolarHBondContact O-N 2.63Å; L482-Y484 VanDerWaalsContact C-N 3.32Å; L482-Y484 PolarHBondContact O-N 3.3Å; Y484-R486 VanDerWaalsContact C-N 3.33Å; Y484-R486 PolarHBondContact O-N 3.21Å; Y484-S487 WeakPolarHBondContact O-CA 3.4Å; Y484-S487 WeakPolarHBondContact O-CB 3.3Å; Y484-S487 PolarHBondContact O-N 2.84Å; Y484-S487 PolarHBondContact O-OG 2.73Å; Y484-I488 HydrophobicContact CD2-CG1 4.48Å; Y484-I488 HydrophobicContact CE1-CG1 4Å; Y484-I488 HydrophobicContact CE2-CD1 3.89Å; Y484-I488 HydrophobicContact CE2-CG1 3.93Å; Y484-I488 PolarHBondContact O-N 2.74Å; Y484-I488 VanDerWaalsContact O-N 3.13Å
485A98.4Very high97.6Very high0 Ų026.9 Ų26.90%016%0.16CC..Hα-helixtrans-57.5-44.4178.800000112.4L455 L460 V466 G481 L482 S487 I488 G489 A490 T492L455-A485 HydrophobicContact CD1-CB 4.33Å; L460-A485 HydrophobicContact CD2-CB 3.75Å; V466-A485 HydrophobicContact CB-CB 3.96Å; V466-A485 HydrophobicContact CG1-CB 4.32Å; V466-A485 HydrophobicContact CG2-CB 3.73Å; G481-A485 WeakPolarHBondContact O-CB 3.29Å; G481-A485 PolarHBondContact O-N 2.66Å; L482-A485 PolarHBondContact O-N 3.31Å; A485-S487 VanDerWaalsContact C-N 3.32Å; A485-S487 PolarHBondContact O-N 3.33Å; A485-I488 PolarHBondContact O-N 2.87Å; A485-G489 PolarHBondContact O-N 3.36Å; A485-G489 VanDerWaalsContact O-N 3.11Å; A485-A490 HydrophobicContact CB-CB 4.33Å; A485-A490 PolarHBondContact O-N 3.36Å; A485-A490 VanDerWaalsContact O-N 3.1Å; A485-T492 HydrophobicContact CB-CG2 3.75Å
486R97.8Very high97.8Very high114 Ų11426.2 Ų26.243%0.4316%0.156SC..Hα-helixtrans-63.9-36.2174.3-71.4-176.769.9-176.510.7112.8L482 Y484 I488 G489 T492 K505 H506 D508L482-R486 WeakPolarHBondContact O-CG 3.18Å; L482-R486 PolarHBondContact O-N 3.47Å; Y484-R486 VanDerWaalsContact C-N 3.33Å; Y484-R486 PolarHBondContact O-N 3.21Å; R486-I488 PolarHBondContact O-N 3.46Å; R486-G489 PolarHBondContact O-N 3.09Å; R486-G489 VanDerWaalsContact O-N 3.1Å; R486-T492 HydrophobicContact CG-CG2 3.67Å; R486-K505 PolarHBondContact NH1-O 2.81Å; R486-H506 WeakPolarHBondContact CD-O 3.42Å; R486-D508 IonicContact NE-OD1 3.82Å
487S97.5Very high97.9Very high86 Ų8624.3 Ų24.360%0.60114%0.144SC*.Hα-helixtrans-64.6-29.5176.882.40000113.1D483 Y484 A485D483-S487 PolarHBondContact O-N 3.12Å; Y484-S487 WeakPolarHBondContact O-CA 3.4Å; Y484-S487 WeakPolarHBondContact O-CB 3.3Å; Y484-S487 PolarHBondContact O-N 2.84Å; Y484-S487 PolarHBondContact O-OG 2.73Å; A485-S487 VanDerWaalsContact C-N 3.32Å; A485-S487 PolarHBondContact O-N 3.33Å
488I97.9Very high97.6Very high60 Ų6024.4 Ų24.431%0.30814%0.144SC..Hα-helixtrans-81.3-21.7174.1-60.6-55.9000111.8Y484 A485 R486Y484-I488 HydrophobicContact CD2-CG1 4.48Å; Y484-I488 HydrophobicContact CE1-CG1 4Å; Y484-I488 HydrophobicContact CE2-CD1 3.89Å; Y484-I488 HydrophobicContact CE2-CG1 3.93Å; Y484-I488 PolarHBondContact O-N 2.74Å; Y484-I488 VanDerWaalsContact O-N 3.13Å; A485-I488 PolarHBondContact O-N 2.87Å; R486-I488 PolarHBondContact O-N 3.46Å
489G97.6Very high97.1Very high48 Ų4828.9 Ų28.950%0.49516%0.164SC..THydrogen-bonded Turntrans91.513-177.300000114A485 R486A485-G489 PolarHBondContact O-N 3.36Å; A485-G489 VanDerWaalsContact O-N 3.11Å; R486-G489 PolarHBondContact O-N 3.09Å; R486-G489 VanDerWaalsContact O-N 3.1Å
490A98.3Very high96.7Very high4 Ų430.4 Ų30.43%0.03319%0.187CC..  trans-65.2149.1170.600000110.5L460 D464 A485L460-A490 HydrophobicContact CD1-CB 4.44Å; L460-A490 HydrophobicContact CD2-CB 4.2Å; L460-A490 HydrophobicContact CG-CB 4.38Å; D464-A490 WeakPolarHBondContact O-CB 3.49Å; A485-A490 HydrophobicContact CB-CB 4.33Å; A485-A490 PolarHBondContact O-N 3.36Å; A485-A490 VanDerWaalsContact O-N 3.1Å
491A98.4Very high96.4Very high36 Ų3630.2 Ų30.230%0.29818%0.184SC..EExtended strand (participates in β ladder)trans-70.7140.3173.600000109.7D464 M465 V466D464-A491 PolarHBondContact O-N 2.93Å; D464-A491 VanDerWaalsContact O-N 3.11Å; M465-A491 WeakPolarHBondContact CA-O 3.1Å; M465-A491 VanDerWaalsContact SD-C 3.51Å; M465-A491 HydrophobicContact SD-CB 3.44Å; M465-A491 WeakPolarHBondContact SD-CB 3.43Å; V466-A491 PolarHBondContact N-O 3.16Å
492T98.8Very high96.2Very high0 Ų034 Ų340%020%0.201CC..EExtended strand (participates in β ladder)trans-126134.7-175.557.70000113.6V466 L482 A485 R486 A507 D508 L509V466-T492 WeakPolarHBondContact O-CA 3.41Å; L482-T492 HydrophobicContact CD2-CG2 4.33Å; A485-T492 HydrophobicContact CB-CG2 3.75Å; R486-T492 HydrophobicContact CG-CG2 3.67Å; T492-A507 VanDerWaalsContact OG1-CA 3.29Å; T492-A507 WeakPolarHBondContact OG1-CA 3.47Å; T492-D508 PolarHBondContact N-OD2 2.95Å; T492-D508 PolarHBondContact O-N 3.43Å; T492-D508 VanDerWaalsContact O-N 3.08Å; T492-D508 VanDerWaalsContact OG1-CG 3.27Å; T492-D508 PolarHBondContact OG1-N 2.89Å; T492-D508 PolarHBondContact OG1-OD2 3.18Å; T492-L509 PolarHBondContact O-N 3Å
493G98.6Very high96.1Very high0 Ų034 Ų340%020%0.201CC..EExtended strand (participates in β ladder)trans-129.2161.2173.400000111.8M465 V466 I467 G468 L509M465-G493 VanDerWaalsContact CE-N 3.33Å; V466-G493 PolarHBondContact O-N 2.89Å; I467-G493 VanDerWaalsContact CA-O 3.32Å; I467-G493 WeakPolarHBondContact CA-O 3.45Å; G468-G493 PolarHBondContact N-O 3.01Å; G493-L509 VanDerWaalsContact CA-O 3.24Å; G493-L509 WeakPolarHBondContact CA-O 3.47Å
494T98.6Very high96Very high1 Ų131.3 Ų31.31%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-135.8151.7174.144.80000112.4G468 L482 I503 A507 L509 P510 I511G468-T494 CarbonylContact O-C 3.55Å; G468-T494 VanDerWaalsContact O-CA 3.24Å; G468-T494 WeakPolarHBondContact O-CA 3.46Å; L482-T494 HydrophobicContact CD1-CG2 3.4Å; L482-T494 VanDerWaalsContact CD1-CG2 3.4Å; L482-T494 HydrophobicContact CD2-CG2 4.3Å; T494-I503 HydrophobicContact CG2-CB 3.98Å; T494-I503 HydrophobicContact CG2-CD1 3.84Å; T494-I503 HydrophobicContact CG2-CG1 3.88Å; T494-A507 HydrophobicContact CG2-CB 3.57Å; T494-L509 PolarHBondContact N-O 2.66Å; T494-L509 VanDerWaalsContact N-O 3.09Å; T494-P510 WeakPolarHBondContact OG1-CA 3.06Å; T494-I511 WeakPolarHBondContact O-CA 3.36Å; T494-I511 VanDerWaalsContact O-CB 3.25Å; T494-I511 WeakPolarHBondContact O-CB 3.49Å; T494-I511 PolarHBondContact O-N 3.48Å
495I98.7Very high95.9Very high0 Ų035.3 Ų35.30%021%0.207CC..EExtended strand (participates in β ladder)trans-125.3114.2169.7-55.1170.2000108I467 G468 I469 A470 I511 Q532 I535 L536 I539I467-I495 HydrophobicContact CG2-CD1 4.01Å; I467-I495 HydrophobicContact CG2-CG1 4.07Å; G468-I495 PolarHBondContact O-N 3.44Å; I469-I495 HydrophobicContact CG2-CB 4.34Å; A470-I495 PolarHBondContact N-O 3.27Å; I495-I511 WeakPolarHBondContact CA-O 3.39Å; I495-I511 HydrophobicContact CG1-CB 4.48Å; I495-I511 HydrophobicContact CG1-CD1 4.26Å; I495-Q532 HydrophobicContact CG2-CG 3.95Å; I495-I535 HydrophobicContact CD1-CB 4.29Å; I495-I535 HydrophobicContact CD1-CG2 3.59Å; I495-I535 HydrophobicContact CG1-CG2 4.09Å; I495-I535 HydrophobicContact CG2-CD1 4.05Å; I495-L536 HydrophobicContact CD1-CD2 3.93Å; I495-L536 HydrophobicContact CD1-CG 4.33Å; I495-I539 HydrophobicContact CD1-CD1 4.21Å
496S97.5Very high95.8Very high0 Ų037 Ų370%021%0.214CC..EExtended strand (participates in β ladder)trans-125.7158175.678.10000111.9A470 N498 A501 I511 E512 V513A470-S496 WeakPolarHBondContact O-CA 3.45Å; S496-N498 PolarHBondContact OG-O 2.85Å; S496-A501 WeakPolarHBondContact OG-CB 3.09Å; S496-I511 PolarHBondContact N-O 2.97Å; S496-E512 WeakPolarHBondContact OG-CG 3.17Å; S496-V513 PolarHBondContact O-N 2.89Å
497C95.5Very high95.8Very high2 Ų232 Ų321%0.01420%0.198CC..SBendtrans-109.516.6175-61.70000113.3T339 A471 V513 S528T339-C497 HydrophobicContact CG2-CB 4.06Å; A471-C497 HydrophobicContact CB-CB 4.38Å; A471-C497 WeakPolarHBondContact O-CA 3.25Å; A471-C497 PolarHBondContact O-N 2.86Å; C497-V513 CarbonylContact C-O 3.54Å; C497-V513 WeakPolarHBondContact CA-O 3.27Å; C497-S528 WeakPolarHBondContact CB-OG 3.37Å; C497-S528 WeakPolarHBondContact SG-CB 3.15Å
498N89.8Confident95.7Very high2 Ų232 Ų321%0.01119%0.191CC..SBendtrans-128.3137172.8-74.5-55.5000109L337 T338 T339 A471 S472 S496L337-N498 HydrophobicContact CD2-CB 4.23Å; T338-N498 PolarHBondContact N-OD1 2.89Å; T339-N498 WeakPolarHBondContact CG2-ND2 3.48Å; T339-N498 PolarHBondContact N-OD1 3.22Å; T339-N498 VanDerWaalsContact N-OD1 3.11Å; T339-N498 PolarHBondContact OG1-ND2 3.34Å; A471-N498 PolarHBondContact O-ND2 3.42Å; S472-N498 WeakPolarHBondContact CA-ND2 3.18Å; S472-N498 PolarHBondContact O-ND2 3.02Å; S496-N498 PolarHBondContact OG-O 2.85Å
499K89.1Confident95.7Very high94 Ų9430.8 Ų30.841%0.40919%0.185SC..THydrogen-bonded Turntrans-69.4145.4171.6-61.2-62-172-179.90110.9Q375 A501 E512 D514Q375-K499 VanDerWaalsContact NE2-NZ 3.2Å; K499-A501 VanDerWaalsContact C-N 3.3Å; K499-A501 PolarHBondContact O-N 2.73Å; K499-E512 WeakPolarHBondContact CA-OE2 3.46Å; K499-E512 HydrophobicContact CD-CB 3.99Å; K499-E512 PolarHBondContact NZ-O 2.89Å; K499-D514 HydrophobicContact CG-CB 4.29Å
500G87.7Confident95.8Very high61 Ų6130.3 Ų30.363%0.62917%0.173SC*.THydrogen-bonded Turntrans63.137-178.500000112.7E512G500-E512 VanDerWaalsContact N-CD 3.33Å; G500-E512 PolarHBondContact N-OE1 3.19Å; G500-E512 PolarHBondContact N-OE2 3.4Å
501A91.8Very high95.8Very high6 Ų630.2 Ų30.25%0.0517%0.172CC..  trans-61.9147.4-177.900000111.4G473 S496 K499 I503 S504 E512G473-A501 CarbonylContact O-C 2.93Å; S496-A501 WeakPolarHBondContact OG-CB 3.09Å; K499-A501 VanDerWaalsContact C-N 3.3Å; K499-A501 PolarHBondContact O-N 2.73Å; A501-I503 HydrophobicContact CB-CG1 4.22Å; A501-S504 WeakPolarHBondContact CB-OG 3.43Å; A501-S504 WeakPolarHBondContact O-CB 3.32Å; A501-S504 PolarHBondContact O-N 2.83Å; A501-E512 PolarHBondContact N-OE1 2.76Å
502E92.9Very high95.7Very high80 Ų8030 Ų3037%0.37417%0.165SC..SBendtrans-64.6-46.3178.5-165.563.1-159.600110.3G473 R474 I479 S504 K505 H506G473-E502 WeakPolarHBondContact O-CA 3.3Å; G473-E502 PolarHBondContact O-N 2.99Å; R474-E502 HydrophobicContact CB-CB 4.22Å; I479-E502 HydrophobicContact CD1-CB 4.45Å; I479-E502 HydrophobicContact CD1-CG 4.01Å; E502-S504 PolarHBondContact O-N 3.35Å; E502-S504 VanDerWaalsContact O-N 3.09Å; E502-K505 WeakPolarHBondContact O-CB 3.44Å; E502-K505 PolarHBondContact O-N 2.89Å; E502-K505 IonicContact OE1-NZ 2.64Å; E502-K505 PolarHBondContact OE1-NZ 3.34Å; E502-K505 IonicContact OE2-NZ 3.88Å; E502-K505 PolarHBondContact OE2-NZ 2.73Å; E502-H506 PolarHBondContact O-CD2 2.88Å; E502-H506 VanDerWaalsContact O-CD2 3.23Å
503I96.5Very high95.6Very high0 Ų030 Ų300%017%0.165CC..G310 helixtrans-55.7-31178.165.1171000112.5A470 G473 V478 I479 L482 T494 A501 K505 H506A470-I503 HydrophobicContact CB-CD1 4.11Å; G473-I503 PolarHBondContact O-N 3.2Å; V478-I503 HydrophobicContact CB-CG2 4.26Å; V478-I503 HydrophobicContact CG1-CB 4.49Å; V478-I503 HydrophobicContact CG1-CD1 4.5Å; V478-I503 HydrophobicContact CG1-CG2 3.99Å; I479-I503 HydrophobicContact CG1-CG2 3.74Å; L482-I503 HydrophobicContact CD1-CB 4.17Å; T494-I503 HydrophobicContact CG2-CB 3.98Å; T494-I503 HydrophobicContact CG2-CD1 3.84Å; T494-I503 HydrophobicContact CG2-CG1 3.88Å; A501-I503 HydrophobicContact CB-CG1 4.22Å; I503-K505 PolarHBondContact O-N 2.87Å; I503-H506 WeakPolarHBondContact O-CA 3.38Å; I503-H506 WeakPolarHBondContact O-CB 3.31Å; I503-H506 PolarHBondContact O-N 3.26Å
504S96.5Very high95.4Very high16 Ų1632.7 Ų32.711%0.11218%0.18CC..G310 helixtrans-62.6-24.9179.2-58.40000112.6A501 E502 H506 E512A501-S504 WeakPolarHBondContact CB-OG 3.43Å; A501-S504 WeakPolarHBondContact O-CB 3.32Å; A501-S504 PolarHBondContact O-N 2.83Å; E502-S504 PolarHBondContact O-N 3.35Å; E502-S504 VanDerWaalsContact O-N 3.09Å; S504-H506 VanDerWaalsContact C-N 3.27Å; S504-E512 VanDerWaalsContact CB-OE1 3.26Å; S504-E512 WeakPolarHBondContact CB-OE1 3.38Å; S504-E512 PolarHBondContact OG-OE1 2.64Å
505K95.5Very high95Very high131 Ų13133 Ų3357%0.5718%0.182SC*.G310 helixtrans-76.4-18.6175.7-57.6173.1-173.21640112.6R486 E502 I503R486-K505 PolarHBondContact NH1-O 2.81Å; E502-K505 WeakPolarHBondContact O-CB 3.44Å; E502-K505 PolarHBondContact O-N 2.89Å; E502-K505 IonicContact OE1-NZ 2.64Å; E502-K505 PolarHBondContact OE1-NZ 3.34Å; E502-K505 IonicContact OE2-NZ 3.88Å; E502-K505 PolarHBondContact OE2-NZ 2.73Å; I503-K505 PolarHBondContact O-N 2.87Å
506H96.9Very high94.6Very high35 Ų3534 Ų3416%0.16219%0.192CC..G310 helixtrans-99.25.3-177.5-61.7-90.9000112.6L482 D483 R486 E502 I503 S504L482-H506 HydrophobicContact CB-CB 4.05Å; L482-H506 HydrophobicContact CD1-CB 4.28Å; D483-H506 VanDerWaalsContact CG-ND1 3.29Å; D483-H506 IonicContact OD1-CE1 3.58Å; D483-H506 IonicContact OD1-CG 2.75Å; D483-H506 IonicContact OD1-ND1 3.94Å; D483-H506 PolarHBondContact OD1-ND1 3.01Å; D483-H506 IonicContact OD2-CE1 3.31Å; D483-H506 IonicContact OD2-ND1 2.83Å; D483-H506 PolarHBondContact OD2-ND1 3.27Å; R486-H506 WeakPolarHBondContact CD-O 3.42Å; E502-H506 PolarHBondContact O-CD2 2.88Å; E502-H506 VanDerWaalsContact O-CD2 3.23Å; I503-H506 WeakPolarHBondContact O-CA 3.38Å; I503-H506 WeakPolarHBondContact O-CB 3.31Å; I503-H506 PolarHBondContact O-N 3.26Å; S504-H506 VanDerWaalsContact C-N 3.27Å
507A97.2Very high94.2Very high11 Ų1135.6 Ų35.69%0.09120%0.202CC..  trans-134.3158179.800000113.3L482 T492 T494L482-A507 HydrophobicContact CD1-CB 4.47Å; L482-A507 HydrophobicContact CD2-CB 4.25Å; T492-A507 VanDerWaalsContact OG1-CA 3.29Å; T492-A507 WeakPolarHBondContact OG1-CA 3.47Å; T494-A507 HydrophobicContact CG2-CB 3.57Å
508D96.5Very high94.2Very high84 Ų8435.5 Ų35.545%0.44920%0.201SC..SBendtrans-79.4-33.7-179-51-57.8000112.3R486 T492 P510R486-D508 IonicContact NE-OD1 3.82Å; T492-D508 PolarHBondContact N-OD2 2.95Å; T492-D508 PolarHBondContact O-N 3.43Å; T492-D508 VanDerWaalsContact O-N 3.08Å; T492-D508 VanDerWaalsContact OG1-CG 3.27Å; T492-D508 PolarHBondContact OG1-N 2.89Å; T492-D508 PolarHBondContact OG1-OD2 3.18Å; D508-P510 WeakPolarHBondContact O-CD 3.09Å
509L98.3Very high94.5Very high35 Ų3536.4 Ų36.418%0.18321%0.205CC..EExtended strand (participates in β ladder)trans-125.280.9-171.6-58.9175.3000112K381 V382 A385 M465 T492 G493 T494K381-L509 HydrophobicContact CB-CD2 4.01Å; K381-L509 HydrophobicContact CD-CD2 4.41Å; V382-L509 HydrophobicContact CG2-CB 3.62Å; V382-L509 HydrophobicContact CG2-CD1 4.18Å; A385-L509 HydrophobicContact CB-CD1 3.58Å; M465-L509 HydrophobicContact CE-CD1 4.36Å; T492-L509 PolarHBondContact O-N 3Å; G493-L509 VanDerWaalsContact CA-O 3.24Å; G493-L509 WeakPolarHBondContact CA-O 3.47Å; T494-L509 PolarHBondContact N-O 2.66Å; T494-L509 VanDerWaalsContact N-O 3.09Å
510P98Very high94.7Very high39 Ų3936.4 Ų36.425%0.25321%0.209SC..EExtended strand (participates in β ladder)trans-79.3133.3-179.631.1-34.6000113.4T494 D508T494-P510 WeakPolarHBondContact OG1-CA 3.06Å; D508-P510 WeakPolarHBondContact O-CD 3.09Å
511I98.5Very high94.7Very high1 Ų136.4 Ų36.41%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-113.8111.3168.5-59.9163.2000107.8Q375 Q378 I379 V382 T494 I495 S496 V513 I535 I539Q375-I511 HydrophobicContact CB-CG2 4Å; Q375-I511 HydrophobicContact CG-CG2 4.37Å; Q378-I511 HydrophobicContact CB-CG1 4.03Å; I379-I511 HydrophobicContact CB-CD1 4.47Å; I379-I511 HydrophobicContact CG1-CD1 3.88Å; I379-I511 HydrophobicContact CG1-CG1 4.24Å; I379-I511 HydrophobicContact CG1-CG2 4.08Å; V382-I511 HydrophobicContact CB-CD1 4.12Å; V382-I511 HydrophobicContact CG1-CD1 4.43Å; V382-I511 HydrophobicContact CG2-CD1 3.68Å; V382-I511 HydrophobicContact CG2-CG1 4.13Å; T494-I511 WeakPolarHBondContact O-CA 3.36Å; T494-I511 VanDerWaalsContact O-CB 3.25Å; T494-I511 WeakPolarHBondContact O-CB 3.49Å; T494-I511 PolarHBondContact O-N 3.48Å; I495-I511 WeakPolarHBondContact CA-O 3.39Å; I495-I511 HydrophobicContact CG1-CB 4.48Å; I495-I511 HydrophobicContact CG1-CD1 4.26Å; S496-I511 PolarHBondContact N-O 2.97Å; I511-V513 HydrophobicContact CG2-CG2 3.82Å; I511-I535 HydrophobicContact CD1-CG2 4.03Å; I511-I535 HydrophobicContact CG2-CD1 4.03Å; I511-I539 HydrophobicContact CD1-CD1 4.49Å
512E97.9Very high94.4Very high33 Ų3337.3 Ų37.315%0.15421%0.207CC..EExtended strand (participates in β ladder)trans-118.4109.3-178-55.1-169.314800110.5Q375 S496 K499 G500 A501 S504Q375-E512 VanDerWaalsContact CG-O 3.26Å; Q375-E512 WeakPolarHBondContact CG-O 3.41Å; Q375-E512 PolarHBondContact NE2-O 2.87Å; Q375-E512 PolarHBondContact OE1-O 2.93Å; S496-E512 WeakPolarHBondContact OG-CG 3.17Å; K499-E512 WeakPolarHBondContact CA-OE2 3.46Å; K499-E512 HydrophobicContact CD-CB 3.99Å; K499-E512 PolarHBondContact NZ-O 2.89Å; G500-E512 VanDerWaalsContact N-CD 3.33Å; G500-E512 PolarHBondContact N-OE1 3.19Å; G500-E512 PolarHBondContact N-OE2 3.4Å; A501-E512 PolarHBondContact N-OE1 2.76Å; S504-E512 VanDerWaalsContact CB-OE1 3.26Å; S504-E512 WeakPolarHBondContact CB-OE1 3.38Å; S504-E512 PolarHBondContact OG-OE1 2.64Å
513V96.5Very high94.4Very high0 Ų034.4 Ų34.40%020%0.196CC..  trans-112.2105.4-169.7-175.80000109.9A371 V372 Q375 S496 C497 I511 C515 A531 I535A371-V513 HydrophobicContact CB-CG1 3.82Å; V372-V513 HydrophobicContact CG2-CG1 4.14Å; Q375-V513 HydrophobicContact CB-CG2 4.27Å; Q375-V513 HydrophobicContact CG-CG2 3.82Å; S496-V513 PolarHBondContact O-N 2.89Å; C497-V513 CarbonylContact C-O 3.54Å; C497-V513 WeakPolarHBondContact CA-O 3.27Å; I511-V513 HydrophobicContact CG2-CG2 3.82Å; V513-C515 PolarHBondContact O-N 2.91Å; V513-A531 HydrophobicContact CG1-CB 4.16Å; V513-I535 HydrophobicContact CG2-CD1 3.42Å; V513-I535 VanDerWaalsContact CG2-CD1 3.42Å
514D92.7Very high94.3Very high56 Ų5636.3 Ų36.330%0.29921%0.207SC..  trans-84.9102.8177.4-167.7-15.8000110.2T338 A371 K499 G516T338-D514 WeakPolarHBondContact CG2-OD1 3.36Å; T338-D514 PolarHBondContact OG1-OD2 3.48Å; A371-D514 WeakPolarHBondContact CB-O 3.47Å; K499-D514 HydrophobicContact CG-CB 4.29Å; D514-G516 VanDerWaalsContact C-N 3.29Å; D514-G516 WeakPolarHBondContact OD1-CA 3.34Å; D514-G516 PolarHBondContact OD1-N 3.45Å
515C91.8Very high94.2Very high8 Ų842.9 Ų42.95%0.05423%0.23CC..  trans-88.64.8176.4-610000113V513 K527V513-C515 PolarHBondContact O-N 2.91Å; C515-K527 HydrophobicContact CB-CB 4.01Å; C515-K527 WeakPolarHBondContact O-CE 3.36Å; C515-K527 PolarHBondContact O-NZ 2.94Å
516G89.1Confident94.3Very high20 Ų2037.3 Ų37.321%0.20621%0.206CC..  trans70.8179.2-169.300000113.8T338 D514T338-G516 VanDerWaalsContact CG2-C 3.43Å; T338-G516 VanDerWaalsContact CG2-CA 3.47Å; D514-G516 VanDerWaalsContact C-N 3.29Å; D514-G516 WeakPolarHBondContact OD1-CA 3.34Å; D514-G516 PolarHBondContact OD1-N 3.45Å
517P90.2Very high94.4Very high33 Ų3335.8 Ų35.821%0.21420%0.199CC..SBendtrans-53.6141.9174.8-29.739000113.4R341 N343 K527R341-P517 HydrophobicContact CB-CB 4.42Å; R341-P517 HydrophobicContact CB-CG 3.94Å; R341-P517 WeakPolarHBondContact O-CB 3.49Å; N343-P517 HydrophobicContact CB-CB 3.65Å; N343-P517 PolarHBondContact ND2-O 3.41Å; P517-K527 WeakPolarHBondContact O-CE 3.45Å; P517-K527 PolarHBondContact O-NZ 3.35Å
518E95.5Very high94.3Very high0 Ų035.4 Ų35.40%020%0.195CC..  trans-70.4152.7-179.6-68.8-68.7-179.200112.7N343 L520 T524 L526 K527 S528N343-E518 WeakPolarHBondContact CB-O 3.38Å; E518-L520 VanDerWaalsContact CB-O 3.24Å; E518-L520 WeakPolarHBondContact CB-O 3.31Å; E518-L520 PolarHBondContact O-N 2.75Å; E518-T524 HydrophobicContact CG-CG2 4.44Å; E518-T524 WeakPolarHBondContact OE1-CA 3.32Å; E518-L526 WeakPolarHBondContact OE2-CB 3.49Å; E518-K527 WeakPolarHBondContact OE2-CB 3.27Å; E518-K527 PolarHBondContact OE2-N 2.94Å; E518-S528 VanDerWaalsContact OE1-CB 3.26Å; E518-S528 WeakPolarHBondContact OE1-CB 3.47Å; E518-S528 PolarHBondContact OE1-N 3.33Å; E518-S528 PolarHBondContact OE1-OG 3.42Å
519F95.5Very high94.4Very high22 Ų2231.6 Ų31.610%0.09618%0.176CC..SBendtrans-54.8-37.4175172.5-97.2000112.5T346 L349 A357 L360 M361 E364 L526T346-F519 HydrophobicContact CG2-CD2 3.76Å; T346-F519 HydrophobicContact CG2-CE2 4.28Å; T346-F519 HydrophobicContact CG2-CG 4.42Å; T346-F519 PolarHBondContact OG1-O 3.28Å; L349-F519 HydrophobicContact CD1-CE1 3.7Å; L349-F519 HydrophobicContact CD1-CE2 3.73Å; L349-F519 HydrophobicContact CD1-CZ 3.2Å; L349-F519 HydrophobicContact CD2-CD1 4.15Å; L349-F519 HydrophobicContact CD2-CE1 3.78Å; L349-F519 HydrophobicContact CD2-CZ 4.16Å; L349-F519 HydrophobicContact CG-CE1 4.36Å; L349-F519 HydrophobicContact CG-CZ 4.31Å; A357-F519 HydrophobicContact CB-CZ 4.3Å; A357-F519 WeakPolarHBondContact O-CZ 3.46Å; L360-F519 HydrophobicContact CB-CE2 4.12Å; L360-F519 HydrophobicContact CD2-CE2 4.28Å; L360-F519 HydrophobicContact CG-CD2 4.43Å; L360-F519 HydrophobicContact CG-CE2 4.11Å; M361-F519 HydrophobicContact CB-CD1 4.43Å; M361-F519 HydrophobicContact CB-CD2 3.92Å; M361-F519 HydrophobicContact CB-CE1 4.26Å; M361-F519 HydrophobicContact CB-CE2 3.72Å; M361-F519 HydrophobicContact CB-CG 4.25Å; M361-F519 HydrophobicContact CB-CZ 3.87Å; M361-F519 HydrophobicContact CG-CD1 4.3Å; M361-F519 HydrophobicContact CG-CD2 4.38Å; M361-F519 HydrophobicContact CG-CE1 4.47Å; M361-F519 HydrophobicContact CG-CG 4.23Å; M361-F519 HydrophobicContact SD-CD1 4.43Å; M361-F519 HydrophobicContact SD-CE1 4.4Å; E364-F519 HydrophobicContact CG-CD2 4.44Å; F519-L526 HydrophobicContact CB-CD1 4.09Å; F519-L526 HydrophobicContact CD1-CD1 4.38Å
520L93.7Very high94.4Very high93 Ų9332.7 Ų32.749%0.48718%0.184SC..SBendtrans-114.7116.8166.1173.564.8000107.1L349 E518 G522 S523 L526L349-L520 HydrophobicContact CD2-CD1 4.48Å; E518-L520 VanDerWaalsContact CB-O 3.24Å; E518-L520 WeakPolarHBondContact CB-O 3.31Å; E518-L520 PolarHBondContact O-N 2.75Å; L520-G522 PolarHBondContact O-N 3.3Å; L520-S523 WeakPolarHBondContact O-CA 3.32Å; L520-S523 WeakPolarHBondContact O-CB 3.32Å; L520-S523 PolarHBondContact O-N 2.99Å; L520-L526 HydrophobicContact CB-CD1 4.4Å
521T87.9Confident94.4Very high61 Ų6130.8 Ų30.837%0.37417%0.172SC..THydrogen-bonded Turntrans-45126.7-175.4-520000111.8R342 S523R342-T521 HydrophobicContact CG-CG2 3.96Å; T521-S523 PolarHBondContact O-N 3.04Å
522G84.8Confident94.4Very high26 Ų2630.8 Ų30.827%0.26817%0.172SC..THydrogen-bonded Turntrans75.8-9-179.700000115.6T339 L520 T524T339-G522 WeakPolarHBondContact O-CA 3.17Å; L520-G522 PolarHBondContact O-N 3.3Å; G522-T524 PolarHBondContact O-N 3.14Å
523S93.7Very high94.5Very high19 Ų1933.1 Ų33.113%0.13318%0.182CC..  trans-78.663.3-178.6-177.60000112.3L520 T521 R525 L526L520-S523 WeakPolarHBondContact O-CA 3.32Å; L520-S523 WeakPolarHBondContact O-CB 3.32Å; L520-S523 PolarHBondContact O-N 2.99Å; T521-S523 PolarHBondContact O-N 3.04Å; S523-R525 PolarHBondContact O-N 3.43Å; S523-R525 WeakPolarHBondContact OG-CG 3.4Å; S523-L526 WeakPolarHBondContact O-CB 3.43Å; S523-L526 WeakPolarHBondContact O-CG 3.34Å; S523-L526 PolarHBondContact O-N 3.29Å
524T93.6Very high94.6Very high39 Ų3935.9 Ų35.924%0.23920%0.196CC..THydrogen-bonded Turntrans-61.7-4.7-177.955.90000115.1T339 A471 E518 G522 L526 S528 G529T339-T524 HydrophobicContact CG2-CG2 3.87Å; A471-T524 HydrophobicContact CB-CG2 3.95Å; E518-T524 HydrophobicContact CG-CG2 4.44Å; E518-T524 WeakPolarHBondContact OE1-CA 3.32Å; G522-T524 PolarHBondContact O-N 3.14Å; T524-L526 PolarHBondContact O-N 3.45Å; T524-S528 WeakPolarHBondContact O-CB 3.4Å; T524-G529 PolarHBondContact O-N 3.2Å
525R95.4Very high94.8Very high155 Ų15533.2 Ų33.259%0.58518%0.182SC*.THydrogen-bonded Turntrans-66.2-11.1167.270174.8-174.883.22.2113.9T403 S523T403-R525 HydrophobicContact CG2-CB 4.05Å; T403-R525 WeakPolarHBondContact OG1-CB 3.43Å; S523-R525 PolarHBondContact O-N 3.43Å; S523-R525 WeakPolarHBondContact OG-CG 3.4Å
526L97.2Very high95.2Very high13 Ų1332.9 Ų32.97%0.06818%0.18CC..THydrogen-bonded Turntrans-90.9-108.6-176-59.4-179.8000110.9M361 E518 F519 L520 S523 T524 S528 G529 T530M361-L526 HydrophobicContact CE-CD2 3.7Å; E518-L526 WeakPolarHBondContact OE2-CB 3.49Å; F519-L526 HydrophobicContact CB-CD1 4.09Å; F519-L526 HydrophobicContact CD1-CD1 4.38Å; L520-L526 HydrophobicContact CB-CD1 4.4Å; S523-L526 WeakPolarHBondContact O-CB 3.43Å; S523-L526 WeakPolarHBondContact O-CG 3.34Å; S523-L526 PolarHBondContact O-N 3.29Å; T524-L526 PolarHBondContact O-N 3.45Å; L526-S528 VanDerWaalsContact C-N 3.34Å; L526-S528 PolarHBondContact O-N 2.95Å; L526-G529 PolarHBondContact O-N 3.13Å; L526-G529 VanDerWaalsContact O-N 3.11Å; L526-T530 PolarHBondContact O-N 3.11Å; L526-T530 PolarHBondContact O-OG1 3.01Å
527K97.6Very high95.6Very high4 Ų433.9 Ų33.92%0.01718%0.18CC..Hα-helixtrans-60.3-43.9-174-72.3-170.3-70.1-179.20112E364 V368 C515 P517 E518 G529 T530 A531E364-K527 HydrophobicContact CB-CD 4.04Å; E364-K527 WeakPolarHBondContact O-CD 3.35Å; E364-K527 IonicContact OE2-NZ 3.39Å; E364-K527 PolarHBondContact OE2-NZ 3.35Å; V368-K527 HydrophobicContact CG2-CB 3.7Å; V368-K527 HydrophobicContact CG2-CD 4.09Å; V368-K527 HydrophobicContact CG2-CG 3.73Å; C515-K527 HydrophobicContact CB-CB 4.01Å; C515-K527 WeakPolarHBondContact O-CE 3.36Å; C515-K527 PolarHBondContact O-NZ 2.94Å; P517-K527 WeakPolarHBondContact O-CE 3.45Å; P517-K527 PolarHBondContact O-NZ 3.35Å; E518-K527 WeakPolarHBondContact OE2-CB 3.27Å; E518-K527 PolarHBondContact OE2-N 2.94Å; K527-G529 VanDerWaalsContact C-N 3.32Å; K527-G529 PolarHBondContact O-N 3.28Å; K527-T530 WeakPolarHBondContact O-CB 3.38Å; K527-T530 PolarHBondContact O-N 3.32Å; K527-T530 VanDerWaalsContact O-N 3.17Å; K527-A531 PolarHBondContact O-N 3.41Å
528S96.9Very high96Very high2 Ų235.1 Ų35.11%0.01418%0.184CC..Hα-helixtrans-60.1-42.5177.2-54.70000111.6C497 E518 T524 L526 A531 Q532C497-S528 WeakPolarHBondContact CB-OG 3.37Å; C497-S528 WeakPolarHBondContact SG-CB 3.15Å; E518-S528 VanDerWaalsContact OE1-CB 3.26Å; E518-S528 WeakPolarHBondContact OE1-CB 3.47Å; E518-S528 PolarHBondContact OE1-N 3.33Å; E518-S528 PolarHBondContact OE1-OG 3.42Å; T524-S528 WeakPolarHBondContact O-CB 3.4Å; L526-S528 VanDerWaalsContact C-N 3.34Å; L526-S528 PolarHBondContact O-N 2.95Å; S528-A531 PolarHBondContact O-N 2.98Å; S528-Q532 WeakPolarHBondContact O-CB 3.39Å; S528-Q532 VanDerWaalsContact O-CG 3.23Å; S528-Q532 WeakPolarHBondContact O-CG 3.26Å; S528-Q532 PolarHBondContact O-N 3.15Å
529G97.6Very high96.2Very high5 Ų535.1 Ų35.15%0.05218%0.184CC..Hα-helixtrans-63.7-41.6173.600000113L407 T524 L526 K527 Q532 K533L407-G529 WeakPolarHBondContact CD1-O 3.49Å; T524-G529 PolarHBondContact O-N 3.2Å; L526-G529 PolarHBondContact O-N 3.13Å; L526-G529 VanDerWaalsContact O-N 3.11Å; K527-G529 VanDerWaalsContact C-N 3.32Å; K527-G529 PolarHBondContact O-N 3.28Å; G529-Q532 PolarHBondContact O-N 3.35Å; G529-K533 PolarHBondContact O-N 3.44Å
530T98.3Very high96.3Very high57 Ų5734.2 Ų34.235%0.3518%0.18SC..Hα-helixtrans-62-45.3174.7-59.80000111.3V368 L526 K527 Q532 K533 L534V368-T530 HydrophobicContact CB-CG2 4.42Å; V368-T530 HydrophobicContact CG1-CG2 3.9Å; L526-T530 PolarHBondContact O-N 3.11Å; L526-T530 PolarHBondContact O-OG1 3.01Å; K527-T530 WeakPolarHBondContact O-CB 3.38Å; K527-T530 PolarHBondContact O-N 3.32Å; K527-T530 VanDerWaalsContact O-N 3.17Å; T530-Q532 PolarHBondContact O-N 2.63Å; T530-K533 WeakPolarHBondContact O-CB 3.3Å; T530-K533 PolarHBondContact O-N 2.87Å; T530-L534 WeakPolarHBondContact O-CG 3.28Å; T530-L534 PolarHBondContact O-N 2.72Å
531A98.3Very high96.5Very high0 Ų032.6 Ų32.60%017%0.174CC..Hα-helixtrans-59.3-47.7176.100000111.5V368 V372 V513 K527 S528 K533 L534 I535V368-A531 HydrophobicContact CG1-CB 3.8Å; V372-A531 HydrophobicContact CG2-CB 4.06Å; V513-A531 HydrophobicContact CG1-CB 4.16Å; K527-A531 PolarHBondContact O-N 3.41Å; S528-A531 PolarHBondContact O-N 2.98Å; A531-K533 VanDerWaalsContact C-N 3.33Å; A531-K533 PolarHBondContact O-N 2.64Å; A531-L534 PolarHBondContact O-N 2.97Å; A531-I535 WeakPolarHBondContact O-CD1 3.29Å; A531-I535 VanDerWaalsContact O-CG1 3.31Å; A531-I535 WeakPolarHBondContact O-CG1 3.41Å; A531-I535 PolarHBondContact O-N 3.21Å
532Q98.6Very high97Very high1 Ų133.3 Ų33.31%0.00518%0.175CC..Hα-helixtrans-56-47.5175.6-73.7168.84.300111.1S404 L407 I469 I495 S528 G529 T530 L534 I535 L536S404-Q532 VanDerWaalsContact OG-CD 3.3Å; S404-Q532 PolarHBondContact OG-NE2 2.81Å; S404-Q532 VanDerWaalsContact OG-NE2 3.09Å; S404-Q532 PolarHBondContact OG-OE1 3.19Å; L407-Q532 HydrophobicContact CD1-CB 3.92Å; I469-Q532 HydrophobicContact CG2-CB 4.42Å; I469-Q532 HydrophobicContact CG2-CG 3.87Å; I495-Q532 HydrophobicContact CG2-CG 3.95Å; S528-Q532 WeakPolarHBondContact O-CB 3.39Å; S528-Q532 VanDerWaalsContact O-CG 3.23Å; S528-Q532 WeakPolarHBondContact O-CG 3.26Å; S528-Q532 PolarHBondContact O-N 3.15Å; G529-Q532 PolarHBondContact O-N 3.35Å; T530-Q532 PolarHBondContact O-N 2.63Å; Q532-L534 PolarHBondContact O-N 3.08Å; Q532-I535 PolarHBondContact O-N 2.85Å; Q532-L536 WeakPolarHBondContact O-CB 3.12Å; Q532-L536 WeakPolarHBondContact O-CG 3.46Å; Q532-L536 PolarHBondContact O-N 2.94Å
533K98.6Very high97.7Very high82 Ų8232 Ų3236%0.35716%0.162SC..Hα-helixtrans-57.7-48177-174-171.8-177.8-60.50112.2L407 G529 T530 A531 I535 L536 N537L407-K533 HydrophobicContact CD2-CB 4.16Å; L407-K533 HydrophobicContact CD2-CG 4.5Å; G529-K533 PolarHBondContact O-N 3.44Å; T530-K533 WeakPolarHBondContact O-CB 3.3Å; T530-K533 PolarHBondContact O-N 2.87Å; A531-K533 VanDerWaalsContact C-N 3.33Å; A531-K533 PolarHBondContact O-N 2.64Å; K533-I535 VanDerWaalsContact C-N 3.31Å; K533-I535 PolarHBondContact O-N 3.42Å; K533-L536 PolarHBondContact O-N 3.41Å; K533-N537 PolarHBondContact NZ-OD1 2.84Å; K533-N537 WeakPolarHBondContact O-CB 3.1Å; K533-N537 VanDerWaalsContact O-CG 3.29Å; K533-N537 PolarHBondContact O-N 3.08Å; K533-N537 PolarHBondContact O-OD1 3.42Å
534L98.6Very high97.9Very high58 Ų5831.1 Ų31.130%0.30416%0.156SC..Hα-helixtrans-60.2-43.6-179.4-68.1179.1000111.3V368 P369 V372 T530 A531 Q532 N537 M538V368-L534 HydrophobicContact CG1-CD1 4.13Å; P369-L534 HydrophobicContact CG-CD1 4.49Å; V372-L534 HydrophobicContact CG2-CD1 4.41Å; T530-L534 WeakPolarHBondContact O-CG 3.28Å; T530-L534 PolarHBondContact O-N 2.72Å; A531-L534 PolarHBondContact O-N 2.97Å; Q532-L534 PolarHBondContact O-N 3.08Å; L534-N537 PolarHBondContact O-N 2.91Å; L534-M538 WeakPolarHBondContact O-CG 3.46Å; L534-M538 PolarHBondContact O-N 2.85Å
535I98.7Very high98Very high0 Ų033 Ų330%016%0.164CC..Hα-helixtrans-68.3-44.5-179.3-66162.8000111.3V372 I379 I495 I511 V513 A531 Q532 K533 N537 M538 I539V372-I535 HydrophobicContact CG1-CG1 3.92Å; V372-I535 HydrophobicContact CG2-CD1 4.25Å; V372-I535 HydrophobicContact CG2-CG1 4.24Å; I379-I535 HydrophobicContact CD1-CG1 3.91Å; I379-I535 HydrophobicContact CD1-CG2 4.46Å; I379-I535 HydrophobicContact CG1-CG2 4.21Å; I495-I535 HydrophobicContact CD1-CB 4.29Å; I495-I535 HydrophobicContact CD1-CG2 3.59Å; I495-I535 HydrophobicContact CG1-CG2 4.09Å; I495-I535 HydrophobicContact CG2-CD1 4.05Å; I511-I535 HydrophobicContact CD1-CG2 4.03Å; I511-I535 HydrophobicContact CG2-CD1 4.03Å; V513-I535 HydrophobicContact CG2-CD1 3.42Å; V513-I535 VanDerWaalsContact CG2-CD1 3.42Å; A531-I535 WeakPolarHBondContact O-CD1 3.29Å; A531-I535 VanDerWaalsContact O-CG1 3.31Å; A531-I535 WeakPolarHBondContact O-CG1 3.41Å; A531-I535 PolarHBondContact O-N 3.21Å; Q532-I535 PolarHBondContact O-N 2.85Å; K533-I535 VanDerWaalsContact C-N 3.31Å; K533-I535 PolarHBondContact O-N 3.42Å; I535-N537 VanDerWaalsContact C-N 3.33Å; I535-N537 PolarHBondContact O-N 3.08Å; I535-M538 WeakPolarHBondContact O-CB 3.38Å; I535-M538 PolarHBondContact O-N 2.81Å; I535-I539 HydrophobicContact CG2-CD1 3.75Å; I535-I539 HydrophobicContact CG2-CG1 4.4Å; I535-I539 VanDerWaalsContact O-CG1 3.31Å; I535-I539 WeakPolarHBondContact O-CG1 3.28Å; I535-I539 PolarHBondContact O-N 3.38Å
536L98.8Very high98.1Very high1 Ų126.5 Ų26.51%0.00514%0.144CC..Hα-helixtrans-58-47.1176-68.3170.3000111Y398 L407 D411 I469 I495 Q532 K533 M538 I539 S540Y398-L536 HydrophobicContact CD1-CD2 3.51Å; Y398-L536 HydrophobicContact CD2-CD2 4.46Å; Y398-L536 HydrophobicContact CE1-CD2 3.29Å; Y398-L536 HydrophobicContact CE2-CD2 4.27Å; Y398-L536 HydrophobicContact CG-CD2 4.11Å; L407-L536 HydrophobicContact CB-CD1 3.96Å; D411-L536 HydrophobicContact CB-CB 4.08Å; I469-L536 HydrophobicContact CD1-CD1 4.06Å; I469-L536 HydrophobicContact CD1-CD2 3.77Å; I469-L536 HydrophobicContact CD1-CG 4.44Å; I495-L536 HydrophobicContact CD1-CD2 3.93Å; I495-L536 HydrophobicContact CD1-CG 4.33Å; Q532-L536 WeakPolarHBondContact O-CB 3.12Å; Q532-L536 WeakPolarHBondContact O-CG 3.46Å; Q532-L536 PolarHBondContact O-N 2.94Å; K533-L536 PolarHBondContact O-N 3.41Å; L536-M538 VanDerWaalsContact C-N 3.31Å; L536-M538 PolarHBondContact O-N 2.74Å; L536-I539 PolarHBondContact O-N 2.78Å; L536-I539 VanDerWaalsContact O-N 3.08Å; L536-S540 PolarHBondContact O-N 3.19Å; L536-S540 PolarHBondContact O-OG 3.12Å; L536-S540 VanDerWaalsContact O-OG 3.08Å
537N98.7Very high98.1Very high40 Ų4027.1 Ų27.121%0.21415%0.148CC..Hα-helixtrans-61.9-36.9177.1-70.9167.5000112.6D411 K533 L534 I535 T541D411-N537 PolarHBondContact OD1-N 2.95Å; D411-N537 PolarHBondContact OD1-ND2 2.92Å; K533-N537 PolarHBondContact NZ-OD1 2.84Å; K533-N537 WeakPolarHBondContact O-CB 3.1Å; K533-N537 VanDerWaalsContact O-CG 3.29Å; K533-N537 PolarHBondContact O-N 3.08Å; K533-N537 PolarHBondContact O-OD1 3.42Å; L534-N537 PolarHBondContact O-N 2.91Å; I535-N537 VanDerWaalsContact C-N 3.33Å; I535-N537 PolarHBondContact O-N 3.08Å; N537-T541 WeakPolarHBondContact O-CB 3.09Å; N537-T541 PolarHBondContact O-N 3.31Å; N537-T541 PolarHBondContact O-OG1 2.96Å
538M98.8Very high98Very high59 Ų5927 Ų2729%0.29115%0.147SC..Hα-helixtrans-63.1-46172.3-72175.8-176.400111.2V372 L376 I379 L534 I535 L536 I542V372-M538 HydrophobicContact CG1-CE 3.95Å; V372-M538 HydrophobicContact CG1-SD 4.2Å; L376-M538 HydrophobicContact CD2-CE 4.39Å; L376-M538 HydrophobicContact CD2-SD 4.2Å; I379-M538 HydrophobicContact CD1-SD 4.23Å; I379-M538 HydrophobicContact CG2-CB 4.17Å; I379-M538 HydrophobicContact CG2-SD 4.28Å; L534-M538 WeakPolarHBondContact O-CG 3.46Å; L534-M538 PolarHBondContact O-N 2.85Å; I535-M538 WeakPolarHBondContact O-CB 3.38Å; I535-M538 PolarHBondContact O-N 2.81Å; L536-M538 VanDerWaalsContact C-N 3.31Å; L536-M538 PolarHBondContact O-N 2.74Å; M538-I542 HydrophobicContact CB-CD1 4.39Å; M538-I542 VanDerWaalsContact O-CB 3.26Å; M538-I542 WeakPolarHBondContact O-CB 3.46Å; M538-I542 VanDerWaalsContact O-CG1 3.25Å; M538-I542 WeakPolarHBondContact O-CG1 3.45Å; M538-I542 PolarHBondContact O-N 3.09Å
539I98.7Very high97.9Very high0 Ų028.8 Ų28.80%016%0.155CC..Hα-helixtrans-61.8-56.4-178.4-68.1163.2000110.7V382 I383 T386 L396 I467 I495 I511 I535 L536 S543V382-I539 HydrophobicContact CG1-CD1 3.71Å; V382-I539 HydrophobicContact CG1-CG1 3.98Å; V382-I539 HydrophobicContact CG1-CG2 4.41Å; I383-I539 HydrophobicContact CG1-CG1 4.29Å; T386-I539 HydrophobicContact CG2-CG2 4.48Å; L396-I539 HydrophobicContact CD2-CG2 3.99Å; I467-I539 HydrophobicContact CD1-CD1 3.94Å; I467-I539 HydrophobicContact CD1-CG2 4.18Å; I495-I539 HydrophobicContact CD1-CD1 4.21Å; I511-I539 HydrophobicContact CD1-CD1 4.49Å; I535-I539 HydrophobicContact CG2-CD1 3.75Å; I535-I539 HydrophobicContact CG2-CG1 4.4Å; I535-I539 VanDerWaalsContact O-CG1 3.31Å; I535-I539 WeakPolarHBondContact O-CG1 3.28Å; I535-I539 PolarHBondContact O-N 3.38Å; L536-I539 PolarHBondContact O-N 2.78Å; L536-I539 VanDerWaalsContact O-N 3.08Å; I539-S543 WeakPolarHBondContact O-CB 3.44Å; I539-S543 PolarHBondContact O-N 3.17Å; I539-S543 PolarHBondContact O-OG 2.76Å
540S98.4Very high97.8Very high4 Ų430 Ų303%0.02816%0.161CC..Hα-helixtrans-64.9-48.6-176.556.60000111.3D411 L536 S543 M544D411-S540 PolarHBondContact OD1-OG 3.03Å; D411-S540 WeakPolarHBondContact OD2-CB 3.34Å; D411-S540 PolarHBondContact OD2-OG 2.91Å; L536-S540 PolarHBondContact O-N 3.19Å; L536-S540 PolarHBondContact O-OG 3.12Å; L536-S540 VanDerWaalsContact O-OG 3.08Å; S540-S543 PolarHBondContact O-N 3.1Å; S540-M544 WeakPolarHBondContact O-CB 3.26Å; S540-M544 WeakPolarHBondContact O-CG 3.43Å; S540-M544 PolarHBondContact O-N 2.69Å
541T98.3Very high97.7Very high58 Ų5828.1 Ų28.136%0.35615%0.147SC..Hα-helixtrans-63.2-50.4-177.5-56.30000112.4F419 N537 M544 I545F419-T541 HydrophobicContact CZ-CG2 4.41Å; N537-T541 WeakPolarHBondContact O-CB 3.09Å; N537-T541 PolarHBondContact O-N 3.31Å; N537-T541 PolarHBondContact O-OG1 2.96Å; T541-M544 PolarHBondContact O-N 3.19Å; T541-I545 HydrophobicContact CG2-CD1 4.18Å; T541-I545 WeakPolarHBondContact O-CG1 3.46Å; T541-I545 PolarHBondContact O-N 3.47Å
542I98.5Very high97.5Very high76 Ų7633.4 Ų33.439%0.3918%0.176SC..Hα-helixtrans-72.2-34.2-175.7-58.1171.4000110.4I383 M538 M544 I545 G546I383-I542 HydrophobicContact CD1-CB 3.97Å; I383-I542 HydrophobicContact CD1-CD1 3.77Å; I383-I542 HydrophobicContact CD1-CG1 4.41Å; I383-I542 HydrophobicContact CD1-CG2 4.23Å; I383-I542 HydrophobicContact CG1-CB 4.42Å; I383-I542 HydrophobicContact CG2-CB 4.08Å; I383-I542 HydrophobicContact CG2-CG2 3.69Å; M538-I542 HydrophobicContact CB-CD1 4.39Å; M538-I542 VanDerWaalsContact O-CB 3.26Å; M538-I542 WeakPolarHBondContact O-CB 3.46Å; M538-I542 VanDerWaalsContact O-CG1 3.25Å; M538-I542 WeakPolarHBondContact O-CG1 3.45Å; M538-I542 PolarHBondContact O-N 3.09Å; I542-M544 PolarHBondContact O-N 3.02Å; I542-I545 WeakPolarHBondContact O-CB 3.05Å; I542-I545 PolarHBondContact O-N 3.29Å; I542-G546 PolarHBondContact O-N 3.35Å
543S98.4Very high97.2Very high0 Ų040.2 Ų40.20%021%0.212CC..Hα-helixtrans-64.4-40.3174.2-57.20000112.1T386 I539 S540 G546 I547T386-S543 WeakPolarHBondContact CB-OG 3.49Å; T386-S543 WeakPolarHBondContact CG2-OG 3.38Å; I539-S543 WeakPolarHBondContact O-CB 3.44Å; I539-S543 PolarHBondContact O-N 3.17Å; I539-S543 PolarHBondContact O-OG 2.76Å; S540-S543 PolarHBondContact O-N 3.1Å; S543-G546 CarbonylContact O-C 3.55Å; S543-G546 WeakPolarHBondContact O-CA 3.41Å; S543-G546 PolarHBondContact O-N 2.84Å; S543-I547 PolarHBondContact O-N 3.01Å
544M97.7Very high97Very high0 Ų037.2 Ų37.20%020%0.2CC..Hα-helixtrans-66.4-35.9175.8-69.4-74.7-178.500112.4F390 C415 F419 V421 M425 V426 S540 T541 I542 G546 I547 G548 K549F390-M544 HydrophobicContact CE2-CE 4.42Å; F390-M544 HydrophobicContact CZ-CE 4.31Å; C415-M544 HydrophobicContact CB-CE 4.31Å; F419-M544 HydrophobicContact CB-CB 4.38Å; F419-M544 HydrophobicContact CB-CE 4.38Å; F419-M544 HydrophobicContact CB-CG 4.07Å; F419-M544 HydrophobicContact CB-SD 3.7Å; F419-M544 HydrophobicContact CD1-CB 3.51Å; F419-M544 HydrophobicContact CD1-CG 3.9Å; F419-M544 HydrophobicContact CD2-CB 4.05Å; F419-M544 HydrophobicContact CD2-CE 4.17Å; F419-M544 HydrophobicContact CD2-CG 3.47Å; F419-M544 VanDerWaalsContact CD2-CG 3.47Å; F419-M544 HydrophobicContact CD2-SD 4.05Å; F419-M544 HydrophobicContact CE1-CB 3.66Å; F419-M544 HydrophobicContact CE1-CG 4.17Å; F419-M544 HydrophobicContact CE2-CB 4.17Å; F419-M544 HydrophobicContact CE2-CG 3.78Å; F419-M544 HydrophobicContact CG-CB 3.71Å; F419-M544 HydrophobicContact CG-CG 3.53Å; F419-M544 HydrophobicContact CG-SD 3.87Å; F419-M544 HydrophobicContact CZ-CB 3.99Å; F419-M544 HydrophobicContact CZ-CG 4.12Å; V421-M544 HydrophobicContact CG1-CE 3.89Å; V421-M544 HydrophobicContact CG1-SD 3.89Å; V421-M544 HydrophobicContact CG2-CE 4.01Å; M425-M544 HydrophobicContact SD-CE 4.42Å; V426-M544 HydrophobicContact CG2-CE 3.7Å; S540-M544 WeakPolarHBondContact O-CB 3.26Å; S540-M544 WeakPolarHBondContact O-CG 3.43Å; S540-M544 PolarHBondContact O-N 2.69Å; T541-M544 PolarHBondContact O-N 3.19Å; I542-M544 PolarHBondContact O-N 3.02Å; M544-G546 VanDerWaalsContact C-N 3.32Å; M544-I547 WeakPolarHBondContact O-CG1 3.43Å; M544-I547 PolarHBondContact O-N 3.44Å; M544-I547 HydrophobicContact SD-CD1 3.99Å; M544-G548 PolarHBondContact O-N 3.35Å; M544-K549 HydrophobicContact CB-CB 4.17Å; M544-K549 HydrophobicContact CB-CG 4.17Å; M544-K549 WeakPolarHBondContact O-CB 3.44Å; M544-K549 WeakPolarHBondContact O-CG 3.25Å; M544-K549 PolarHBondContact O-N 3.05Å; M544-K549 HydrophobicContact SD-CG 3.89Å
545I97Very high96.7Very high78 Ų7837.3 Ų37.340%0.420%0.2SC..Hα-helixtrans-60.8-44.6167.8-67.2165.5000110.1T541 I542 I547 G548 V550T541-I545 HydrophobicContact CG2-CD1 4.18Å; T541-I545 WeakPolarHBondContact O-CG1 3.46Å; T541-I545 PolarHBondContact O-N 3.47Å; I542-I545 WeakPolarHBondContact O-CB 3.05Å; I542-I545 PolarHBondContact O-N 3.29Å; I545-I547 PolarHBondContact O-N 3.17Å; I545-I547 VanDerWaalsContact O-N 3.12Å; I545-G548 PolarHBondContact O-N 3.45Å; I545-V550 HydrophobicContact CG1-CB 3.9Å; I545-V550 HydrophobicContact CG1-CG1 4.31Å; I545-V550 HydrophobicContact CG1-CG2 3.75Å
546G96.6Very high96.5Very high18 Ų1837.3 Ų37.319%0.18620%0.2CC..THydrogen-bonded Turntrans-64.7-10-179.600000116I542 S543 M544 F621I542-G546 PolarHBondContact O-N 3.35Å; S543-G546 CarbonylContact O-C 3.55Å; S543-G546 WeakPolarHBondContact O-CA 3.41Å; S543-G546 PolarHBondContact O-N 2.84Å; M544-G546 VanDerWaalsContact C-N 3.32Å; G546-F621 WeakPolarHBondContact O-CZ 3.32Å
547I96.5Very high96.2Very high27 Ų2738.6 Ų38.614%0.13821%0.207CC..THydrogen-bonded Turntrans-120.317.6173.264.5165.4000112.8I387 F390 K391 M425 S543 M544 I545 K549I387-I547 HydrophobicContact CG2-CG2 4.28Å; F390-I547 HydrophobicContact CB-CD1 4.3Å; F390-I547 HydrophobicContact CB-CG2 3.88Å; F390-I547 HydrophobicContact CD2-CD1 3.99Å; F390-I547 HydrophobicContact CD2-CG2 4.3Å; F390-I547 HydrophobicContact CG-CD1 4.31Å; K391-I547 HydrophobicContact CG-CG2 4.46Å; M425-I547 HydrophobicContact CE-CD1 3.4Å; M425-I547 VanDerWaalsContact CE-CD1 3.4Å; S543-I547 PolarHBondContact O-N 3.01Å; M544-I547 WeakPolarHBondContact O-CG1 3.43Å; M544-I547 PolarHBondContact O-N 3.44Å; M544-I547 HydrophobicContact SD-CD1 3.99Å; I545-I547 PolarHBondContact O-N 3.17Å; I545-I547 VanDerWaalsContact O-N 3.12Å; I547-K549 HydrophobicContact CD1-CG 4.16Å; I547-K549 HydrophobicContact CG1-CG 4.01Å
548G95.9Very high95.6Very high0 Ų037 Ų370%020%0.198CC..THydrogen-bonded Turntrans81.321.616800000115.9M544 I545 V550 K596M544-G548 PolarHBondContact O-N 3.35Å; I545-G548 PolarHBondContact O-N 3.45Å; G548-V550 VanDerWaalsContact C-N 3.26Å; G548-V550 PolarHBondContact O-N 2.93Å; G548-K596 WeakPolarHBondContact O-CE 3.36Å; G548-K596 PolarHBondContact O-NZ 3.44Å
549K95.7Very high94.8Very high41 Ų4137.1 Ų37.118%0.17820%0.197CC..  trans-77.2-9177.4-58.3-62.4-169.7166.50114.8F419 M544 I547 D557F419-K549 HydrophobicContact CB-CB 4.24Å; F419-K549 HydrophobicContact CB-CG 4.24Å; F419-K549 HydrophobicContact CD1-CB 4.16Å; M544-K549 HydrophobicContact CB-CB 4.17Å; M544-K549 HydrophobicContact CB-CG 4.17Å; M544-K549 WeakPolarHBondContact O-CB 3.44Å; M544-K549 WeakPolarHBondContact O-CG 3.25Å; M544-K549 PolarHBondContact O-N 3.05Å; M544-K549 HydrophobicContact SD-CG 3.89Å; I547-K549 HydrophobicContact CD1-CG 4.16Å; I547-K549 HydrophobicContact CG1-CG 4.01Å; K549-D557 WeakPolarHBondContact CA-OD2 3.41Å; K549-D557 HydrophobicContact CD-CB 4.24Å; K549-D557 WeakPolarHBondContact CD-OD2 3.43Å; K549-D557 IonicContact NZ-OD2 3.87Å
550V95.7Very high94Very high29 Ų2938.5 Ų38.518%0.17621%0.206CC..  trans-128.1146.2-173.8177.70000109.6F419 I545 G548 L554F419-V550 HydrophobicContact CE1-CG2 4.41Å; I545-V550 HydrophobicContact CG1-CB 3.9Å; I545-V550 HydrophobicContact CG1-CG1 4.31Å; I545-V550 HydrophobicContact CG1-CG2 3.75Å; G548-V550 VanDerWaalsContact C-N 3.26Å; G548-V550 PolarHBondContact O-N 2.93Å; V550-L554 WeakPolarHBondContact CA-O 3.24Å; V550-L554 WeakPolarHBondContact CG1-O 3.46Å
551Y95.8Very high93.3Very high18 Ų1843.6 Ų43.67%0.07124%0.237CC..BIsolated β-bridgetrans-125.1124.5169.5176.5-119.3000109.4N553 L554 A576 I599 L603 V622 K623 I626Y551-N553 PolarHBondContact O-N 3.43Å; Y551-N553 VanDerWaalsContact O-N 3.07Å; Y551-L554 PolarHBondContact N-O 3.03Å; Y551-L554 WeakPolarHBondContact O-CA 3.39Å; Y551-L554 WeakPolarHBondContact O-CB 3.37Å; Y551-L554 PolarHBondContact O-N 3.1Å; Y551-A576 HydrophobicContact CD1-CB 3.91Å; Y551-A576 HydrophobicContact CE1-CB 4.01Å; Y551-I599 HydrophobicContact CD1-CG2 4.47Å; Y551-L603 HydrophobicContact CE1-CD1 4.18Å; Y551-V622 HydrophobicContact CD1-CG1 4.13Å; Y551-V622 HydrophobicContact CD2-CB 3.63Å; Y551-V622 HydrophobicContact CD2-CG1 3.61Å; Y551-V622 HydrophobicContact CE1-CG1 4.3Å; Y551-V622 HydrophobicContact CE2-CB 4.25Å; Y551-V622 HydrophobicContact CE2-CG1 3.81Å; Y551-V622 HydrophobicContact CG-CB 3.89Å; Y551-V622 HydrophobicContact CG-CG1 3.78Å; Y551-V622 HydrophobicContact CG-CG2 4.46Å; Y551-K623 HydrophobicContact CD2-CB 4.4Å; Y551-K623 HydrophobicContact CE2-CB 4.17Å; Y551-K623 HydrophobicContact CE2-CD 3.95Å; Y551-I626 HydrophobicContact CE2-CD1 4.32Å
552N93.1Very high92.6Very high111 Ų11144 Ų4459%0.59424%0.237SC*.THydrogen-bonded Turntrans53.5-110-165.9-59.5-37.5000110.4
553N92.9Very high92.2Very high144 Ų14448.1 Ų48.177%0.7726%0.255SS*.THydrogen-bonded Turntrans-120.323.6172.761.2-2.4000112Y551Y551-N553 PolarHBondContact O-N 3.43Å; Y551-N553 VanDerWaalsContact O-N 3.07Å
554L94.3Very high91.8Very high20 Ų2054.8 Ų54.811%0.10528%0.284CS..BIsolated β-bridgetrans-106.9133.8-177.1-57.7173.8000111.2V550 Y551 V556 I572 Q575 A576V550-L554 WeakPolarHBondContact CA-O 3.24Å; V550-L554 WeakPolarHBondContact CG1-O 3.46Å; Y551-L554 PolarHBondContact N-O 3.03Å; Y551-L554 WeakPolarHBondContact O-CA 3.39Å; Y551-L554 WeakPolarHBondContact O-CB 3.37Å; Y551-L554 PolarHBondContact O-N 3.1Å; L554-V556 VanDerWaalsContact C-N 3.34Å; L554-V556 HydrophobicContact CB-CG1 4.19Å; L554-V556 PolarHBondContact O-N 3.45Å; L554-I572 HydrophobicContact CB-CG2 4Å; L554-I572 HydrophobicContact CD1-CG2 4.43Å; L554-Q575 HydrophobicContact CD1-CB 3.86Å; L554-Q575 HydrophobicContact CD2-CB 4.33Å; L554-A576 HydrophobicContact CD1-CB 3.8Å
555M92.1Very high91.3Very high60 Ų6055.4 Ų55.430%0.29629%0.287SS..  trans-78.975.9-179.8-173.5-176.4-66.700111.1T418 D557 V558T418-M555 HydrophobicContact CG2-CE 3.32Å; T418-M555 HydrophobicContact CG2-SD 3.99Å; T418-M555 WeakPolarHBondContact O-CG 3.45Å; M555-D557 VanDerWaalsContact C-N 3.32Å; M555-D557 PolarHBondContact O-N 3.25Å; M555-V558 HydrophobicContact CG-CB 4.2Å; M555-V558 WeakPolarHBondContact O-CG1 3.37Å; M555-V558 PolarHBondContact O-N 2.93Å; M555-V558 HydrophobicContact SD-CB 4.31Å; M555-V558 HydrophobicContact SD-CG2 4.45Å
556V94.4Very high91Very high0 Ų053.3 Ų53.30%028%0.278CS..THydrogen-bonded Turntrans-78.1-10.3-169.8-63.20000115L554 I572 V595 K596 I599 V622L554-V556 VanDerWaalsContact C-N 3.34Å; L554-V556 HydrophobicContact CB-CG1 4.19Å; L554-V556 PolarHBondContact O-N 3.45Å; V556-I572 HydrophobicContact CG1-CG2 3.96Å; V556-V595 HydrophobicContact CB-CG1 4.36Å; V556-V595 VanDerWaalsContact O-CB 3.28Å; V556-V595 WeakPolarHBondContact O-CB 3.29Å; V556-V595 WeakPolarHBondContact O-CG1 3.32Å; V556-K596 HydrophobicContact CB-CB 4.38Å; V556-K596 HydrophobicContact CG2-CB 4.38Å; V556-K596 HydrophobicContact CG2-CG 4.23Å; V556-K596 PolarHBondContact O-N 3.36Å; V556-K596 VanDerWaalsContact O-N 3.1Å; V556-I599 HydrophobicContact CB-CD1 4Å; V556-I599 HydrophobicContact CG1-CD1 3.37Å; V556-V622 HydrophobicContact CG2-CG2 4.32Å
557D92.1Very high90.9Very high28 Ų2855.3 Ų55.315%0.1528%0.282CS..THydrogen-bonded Turntrans-100.718.3172.9-84.5-37.2000113.6F419 G420 K549 M555 K559 K596F419-D557 WeakPolarHBondContact O-CB 2.85Å; G420-D557 WeakPolarHBondContact CA-O 3.17Å; G420-D557 PolarHBondContact N-O 3.41Å; K549-D557 WeakPolarHBondContact CA-OD2 3.41Å; K549-D557 HydrophobicContact CD-CB 4.24Å; K549-D557 WeakPolarHBondContact CD-OD2 3.43Å; K549-D557 IonicContact NZ-OD2 3.87Å; M555-D557 VanDerWaalsContact C-N 3.32Å; M555-D557 PolarHBondContact O-N 3.25Å; D557-K559 PolarHBondContact O-N 3.29Å; D557-K596 WeakPolarHBondContact OD1-CE 3.1Å; D557-K596 IonicContact OD1-NZ 2.73Å; D557-K596 PolarHBondContact OD1-NZ 2.94Å; D557-K596 WeakPolarHBondContact OD2-CE 3.31Å; D557-K596 IonicContact OD2-NZ 3.53Å; D557-K596 PolarHBondContact OD2-NZ 3.13Å
558V86.3Confident90.6Very high5 Ų559.5 Ų59.53%0.0330%0.296CS..  trans-56.8130.2176.862.20000111.5M555 P560 L565 I572 V595M555-V558 HydrophobicContact CG-CB 4.2Å; M555-V558 WeakPolarHBondContact O-CG1 3.37Å; M555-V558 PolarHBondContact O-N 2.93Å; M555-V558 HydrophobicContact SD-CB 4.31Å; M555-V558 HydrophobicContact SD-CG2 4.45Å; V558-P560 WeakPolarHBondContact O-CD 3.35Å; V558-L565 HydrophobicContact CG2-CD2 4.01Å; V558-I572 HydrophobicContact CG1-CD1 3.95Å; V558-V595 HydrophobicContact CG1-CG2 4.07Å
559K82.1Confident90.5Very high63 Ų6359.5 Ų59.527%0.27430%0.296SS..  trans-82.6113.1173.8-81.1175.5173.2172.10109.9G420 V421 E422 D557 T561 L565G420-K559 WeakPolarHBondContact O-CE 3.24Å; V421-K559 PolarHBondContact O-NZ 3.46Å; E422-K559 IonicContact OE1-NZ 2.68Å; E422-K559 PolarHBondContact OE1-NZ 3.37Å; E422-K559 IonicContact OE2-NZ 3.74Å; D557-K559 PolarHBondContact O-N 3.29Å; K559-T561 VanDerWaalsContact C-N 3.31Å; K559-T561 HydrophobicContact CB-CG2 4.23Å; K559-T561 PolarHBondContact O-N 3.14Å; K559-L565 WeakPolarHBondContact O-CD1 3.42Å
560P82.9Confident90.5Very high29 Ų2959.1 Ų59.119%0.18829%0.294CS..  trans-78.969.8-174.632.4-34.8000113V558 N562 L565 V566 F588 Q593V558-P560 WeakPolarHBondContact O-CD 3.35Å; P560-N562 VanDerWaalsContact C-N 3.34Å; P560-N562 PolarHBondContact O-N 3.42Å; P560-L565 HydrophobicContact CB-CB 4.48Å; P560-V566 HydrophobicContact CB-CG2 3.92Å; P560-F588 HydrophobicContact CB-CZ 4.11Å; P560-F588 HydrophobicContact CG-CE2 4.42Å; P560-F588 HydrophobicContact CG-CZ 3.94Å; P560-Q593 HydrophobicContact CG-CB 4.02Å
561T82.7Confident90.5Very high111 Ų11165.4 Ų65.468%0.68132%0.315SS*.  trans-82-5.2-173.659.70000115.3K559 L565K559-T561 VanDerWaalsContact C-N 3.31Å; K559-T561 HydrophobicContact CB-CG2 4.23Å; K559-T561 PolarHBondContact O-N 3.14Å; T561-L565 WeakPolarHBondContact OG1-CD1 3.33Å
562N85.1Confident90.5Very high66 Ų6665.1 Ų65.135%0.35331%0.314SS..SBendtrans-152.7166178.457.669.6000110.3P560 K564 L565 V566P560-N562 VanDerWaalsContact C-N 3.34Å; P560-N562 PolarHBondContact O-N 3.42Å; N562-K564 VanDerWaalsContact C-N 3.28Å; N562-K564 PolarHBondContact O-N 2.86Å; N562-K564 WeakPolarHBondContact OD1-CB 3.3Å; N562-K564 PolarHBondContact OD1-N 2.96Å; N562-L565 WeakPolarHBondContact ND2-CD1 3.27Å; N562-L565 WeakPolarHBondContact O-CA 3.43Å; N562-L565 PolarHBondContact O-N 3.34Å; N562-L565 WeakPolarHBondContact OD1-CG 3.42Å; N562-L565 PolarHBondContact OD1-N 2.82Å; N562-V566 PolarHBondContact O-N 3.31Å
563E89.9Confident90.6Very high163 Ų16359.8 Ų59.876%0.76229%0.286SS*.Hα-helixtrans-55.4-40.1-176.5-170.4176-171.200113.2L565 V566 E567E563-L565 VanDerWaalsContact C-N 3.31Å; E563-L565 PolarHBondContact O-N 3.02Å; E563-V566 PolarHBondContact O-N 2.82Å; E563-E567 PolarHBondContact O-N 3.3Å
564K88.8Confident90.9Very high139 Ų13955.7 Ų55.760%0.60426%0.263SS*.Hα-helixtrans-60.7-40.3175.1176.4-165.972.1-175.30111.5N562 R568N562-K564 VanDerWaalsContact C-N 3.28Å; N562-K564 PolarHBondContact O-N 2.86Å; N562-K564 WeakPolarHBondContact OD1-CB 3.3Å; N562-K564 PolarHBondContact OD1-N 2.96Å; K564-R568 WeakPolarHBondContact O-CB 3.46Å; K564-R568 PolarHBondContact O-N 3.37Å
565L86.8Confident91Very high14 Ų1461.1 Ų61.17%0.07329%0.288CS..Hα-helixtrans-74.6-34.6178.2-65.2175.7000111.9V558 K559 P560 T561 N562 E563 R568 S569V558-L565 HydrophobicContact CG2-CD2 4.01Å; K559-L565 WeakPolarHBondContact O-CD1 3.42Å; P560-L565 HydrophobicContact CB-CB 4.48Å; T561-L565 WeakPolarHBondContact OG1-CD1 3.33Å; N562-L565 WeakPolarHBondContact ND2-CD1 3.27Å; N562-L565 WeakPolarHBondContact O-CA 3.43Å; N562-L565 PolarHBondContact O-N 3.34Å; N562-L565 WeakPolarHBondContact OD1-CG 3.42Å; N562-L565 PolarHBondContact OD1-N 2.82Å; E563-L565 VanDerWaalsContact C-N 3.31Å; E563-L565 PolarHBondContact O-N 3.02Å; L565-R568 PolarHBondContact O-N 3.08Å; L565-S569 WeakPolarHBondContact O-CB 3.31Å; L565-S569 PolarHBondContact O-N 2.97Å; L565-S569 PolarHBondContact O-OG 3.43Å
566V91.5Very high91.2Very high33 Ų3358.7 Ų58.720%0.228%0.278CS..Hα-helixtrans-59.6-48.1171.6170.80000111.3P560 N562 E563 R568 S569 K570 F588P560-V566 HydrophobicContact CB-CG2 3.92Å; N562-V566 PolarHBondContact O-N 3.31Å; E563-V566 PolarHBondContact O-N 2.82Å; V566-R568 VanDerWaalsContact C-N 3.34Å; V566-R568 PolarHBondContact O-N 2.99Å; V566-S569 WeakPolarHBondContact O-CB 3.42Å; V566-S569 PolarHBondContact O-N 3.02Å; V566-K570 PolarHBondContact O-N 2.84Å; V566-F588 HydrophobicContact CG1-CE1 4.02Å
567E93.7Very high91.3Very high60 Ų6059.7 Ų59.728%0.2828%0.284SS..Hα-helixtrans-67.4-35.3177.6-71.3-52.9119.300112.5E563 K570 R571 Y581E563-E567 PolarHBondContact O-N 3.3Å; E567-K570 IonicContact OE1-NZ 3.87Å; E567-K570 PolarHBondContact OE1-NZ 2.7Å; E567-R571 WeakPolarHBondContact O-CG 3.47Å; E567-R571 PolarHBondContact O-N 2.84Å; E567-R571 VanDerWaalsContact O-N 3.15Å; E567-Y581 VanDerWaalsContact CD-OH 3.25Å; E567-Y581 PolarHBondContact OE1-OH 3.22Å; E567-Y581 WeakPolarHBondContact OE2-CE2 3.47Å; E567-Y581 PolarHBondContact OE2-OH 3.11Å
568R91.1Very high91.5Very high116 Ų11667.5 Ų67.544%0.43832%0.319SS..Hα-helixtrans-62.9-43.1172.3-177.8179.8-71.8-176.3-6.6111.4K564 L565 V566 K570 R571 I572K564-R568 WeakPolarHBondContact O-CB 3.46Å; K564-R568 PolarHBondContact O-N 3.37Å; L565-R568 PolarHBondContact O-N 3.08Å; V566-R568 VanDerWaalsContact C-N 3.34Å; V566-R568 PolarHBondContact O-N 2.99Å; R568-K570 PolarHBondContact O-N 3.18Å; R568-R571 PolarHBondContact O-N 2.73Å; R568-I572 HydrophobicContact CG-CD1 3.83Å; R568-I572 HydrophobicContact CG-CG1 4.37Å; R568-I572 WeakPolarHBondContact O-CG1 3.4Å; R568-I572 PolarHBondContact O-N 3.47Å
569S93.6Very high92Very high0 Ų068.2 Ų68.20%033%0.326CS..Hα-helixtrans-56.7-49.1177.9-73.40000112L565 V566 R571 I572 I573 V595L565-S569 WeakPolarHBondContact O-CB 3.31Å; L565-S569 PolarHBondContact O-N 2.97Å; L565-S569 PolarHBondContact O-OG 3.43Å; V566-S569 WeakPolarHBondContact O-CB 3.42Å; V566-S569 PolarHBondContact O-N 3.02Å; S569-R571 PolarHBondContact O-N 3.49Å; S569-I572 PolarHBondContact O-N 3.27Å; S569-I573 WeakPolarHBondContact O-CG1 3.27Å; S569-I573 PolarHBondContact O-N 3.3Å; S569-V595 VanDerWaalsContact OG-CG2 3.24Å; S569-V595 WeakPolarHBondContact OG-CG2 3.38Å
570K95.6Very high92.7Very high32 Ų3269.3 Ų69.314%0.13933%0.334CS..Hα-helixtrans-60-44.1175.9-63.6171-171.9167.20111.9V566 E567 R568 I572 I573 M574 Y581 A585 F588V566-K570 PolarHBondContact O-N 2.84Å; E567-K570 IonicContact OE1-NZ 3.87Å; E567-K570 PolarHBondContact OE1-NZ 2.7Å; R568-K570 PolarHBondContact O-N 3.18Å; K570-I572 VanDerWaalsContact C-N 3.34Å; K570-I572 PolarHBondContact O-N 2.8Å; K570-I573 WeakPolarHBondContact O-CB 3.16Å; K570-I573 PolarHBondContact O-N 3.37Å; K570-M574 WeakPolarHBondContact O-CG 3.39Å; K570-M574 PolarHBondContact O-N 2.97Å; K570-Y581 HydrophobicContact CB-CE2 4.17Å; K570-Y581 HydrophobicContact CD-CE1 4.38Å; K570-Y581 HydrophobicContact CD-CE2 3.82Å; K570-Y581 VanDerWaalsContact CD-OH 3.31Å; K570-Y581 WeakPolarHBondContact CD-OH 3.05Å; K570-Y581 PolarHBondContact NZ-OH 2.85Å; K570-A585 HydrophobicContact CD-CB 4.24Å; K570-F588 HydrophobicContact CG-CD1 4.26Å; K570-F588 HydrophobicContact CG-CG 4.5Å
571R95.3Very high93.4Very high162 Ų16271.7 Ų71.761%0.61134%0.34SS*.Hα-helixtrans-62.7-38.4176.2-71.3179.2-176-1711.7112.8E567 R568 S569 I573 M574 Q575E567-R571 WeakPolarHBondContact O-CG 3.47Å; E567-R571 PolarHBondContact O-N 2.84Å; E567-R571 VanDerWaalsContact O-N 3.15Å; R568-R571 PolarHBondContact O-N 2.73Å; S569-R571 PolarHBondContact O-N 3.49Å; R571-I573 VanDerWaalsContact C-N 3.33Å; R571-M574 PolarHBondContact O-N 2.77Å; R571-Q575 WeakPolarHBondContact O-CB 3.38Å; R571-Q575 VanDerWaalsContact O-CG 3.29Å; R571-Q575 WeakPolarHBondContact O-CG 3.41Å; R571-Q575 PolarHBondContact O-N 2.66Å
572I95.5Very high94.1Very high11 Ų1172.9 Ų72.96%0.05634%0.338CS..Hα-helixtrans-63.2-42.3175.4-70.4162.6000110.3L554 V556 V558 R568 S569 K570 Q575 A576 V595 I599L554-I572 HydrophobicContact CB-CG2 4Å; L554-I572 HydrophobicContact CD1-CG2 4.43Å; V556-I572 HydrophobicContact CG1-CG2 3.96Å; V558-I572 HydrophobicContact CG1-CD1 3.95Å; R568-I572 HydrophobicContact CG-CD1 3.83Å; R568-I572 HydrophobicContact CG-CG1 4.37Å; R568-I572 WeakPolarHBondContact O-CG1 3.4Å; R568-I572 PolarHBondContact O-N 3.47Å; S569-I572 PolarHBondContact O-N 3.27Å; K570-I572 VanDerWaalsContact C-N 3.34Å; K570-I572 PolarHBondContact O-N 2.8Å; I572-Q575 PolarHBondContact O-N 2.82Å; I572-A576 WeakPolarHBondContact O-CB 3.43Å; I572-A576 PolarHBondContact O-N 2.89Å; I572-V595 HydrophobicContact CB-CG1 4.29Å; I572-V595 HydrophobicContact CG2-CG1 3.79Å; I572-I599 HydrophobicContact CG2-CD1 4.16Å
573I97.2Very high94.7Very high0 Ų072.1 Ų72.10%034%0.336CS..Hα-helixtrans-60.4-48.8175.3-63.3163.7000110.4S569 K570 R571 Q575 A576 T577 A584 F588 V595 A598 I599 I602S569-I573 WeakPolarHBondContact O-CG1 3.27Å; S569-I573 PolarHBondContact O-N 3.3Å; K570-I573 WeakPolarHBondContact O-CB 3.16Å; K570-I573 PolarHBondContact O-N 3.37Å; R571-I573 VanDerWaalsContact C-N 3.33Å; I573-Q575 VanDerWaalsContact C-N 3.35Å; I573-Q575 PolarHBondContact O-N 2.77Å; I573-A576 PolarHBondContact O-N 2.93Å; I573-T577 HydrophobicContact CG2-CG2 4.4Å; I573-T577 WeakPolarHBondContact O-CB 3.46Å; I573-T577 VanDerWaalsContact O-CG2 3.32Å; I573-T577 WeakPolarHBondContact O-CG2 3.45Å; I573-T577 PolarHBondContact O-N 2.79Å; I573-T577 PolarHBondContact O-OG1 2.96Å; I573-A584 HydrophobicContact CB-CB 3.99Å; I573-A584 HydrophobicContact CG2-CB 3.76Å; I573-F588 HydrophobicContact CD1-CB 3.65Å; I573-F588 HydrophobicContact CD1-CD2 3.76Å; I573-F588 HydrophobicContact CD1-CG 4.08Å; I573-V595 HydrophobicContact CG1-CG1 4.02Å; I573-A598 HydrophobicContact CD1-CB 3.66Å; I573-A598 HydrophobicContact CG1-CB 4.19Å; I573-I599 HydrophobicContact CB-CG1 4.41Å; I573-I599 HydrophobicContact CG1-CG1 4.07Å; I573-I599 HydrophobicContact CG2-CG1 4.46Å; I573-I602 HydrophobicContact CG2-CD1 3.42Å; I573-I602 VanDerWaalsContact CG2-CD1 3.42Å
574M97.8Very high95.1Very high57 Ų5764.3 Ų64.328%0.28130%0.299SS..Hα-helixtrans-56.9-47.2176.3-63.8169.468.900111.8K570 R571 A576 T577 E578 Y581 A584K570-M574 WeakPolarHBondContact O-CG 3.39Å; K570-M574 PolarHBondContact O-N 2.97Å; R571-M574 PolarHBondContact O-N 2.77Å; M574-A576 VanDerWaalsContact C-N 3.33Å; M574-A576 PolarHBondContact O-N 3.29Å; M574-T577 PolarHBondContact O-N 3.28Å; M574-E578 VanDerWaalsContact O-CA 3.28Å; M574-E578 WeakPolarHBondContact O-CA 3.1Å; M574-E578 PolarHBondContact O-N 3.02Å; M574-Y581 HydrophobicContact SD-CD2 3.84Å; M574-Y581 HydrophobicContact SD-CG 4.35Å; M574-A584 HydrophobicContact CG-CB 3.52Å
575Q96.6Very high95.5Very high134 Ų13458.9 Ų58.963%0.62628%0.281SS*.Hα-helixtrans-67.5-32.4-179.6-72.8179.3-4500113.2L554 R571 I572 I573L554-Q575 HydrophobicContact CD1-CB 3.86Å; L554-Q575 HydrophobicContact CD2-CB 4.33Å; R571-Q575 WeakPolarHBondContact O-CB 3.38Å; R571-Q575 VanDerWaalsContact O-CG 3.29Å; R571-Q575 WeakPolarHBondContact O-CG 3.41Å; R571-Q575 PolarHBondContact O-N 2.66Å; I572-Q575 PolarHBondContact O-N 2.82Å; I573-Q575 VanDerWaalsContact C-N 3.35Å; I573-Q575 PolarHBondContact O-N 2.77Å
576A96.9Very high96Very high10 Ų1062.9 Ų62.98%0.08330%0.298CS..Hα-helixtrans-79.6-24-179.600000113.3Y551 L554 I572 I573 M574 I599Y551-A576 HydrophobicContact CD1-CB 3.91Å; Y551-A576 HydrophobicContact CE1-CB 4.01Å; L554-A576 HydrophobicContact CD1-CB 3.8Å; I572-A576 WeakPolarHBondContact O-CB 3.43Å; I572-A576 PolarHBondContact O-N 2.89Å; I573-A576 PolarHBondContact O-N 2.93Å; M574-A576 VanDerWaalsContact C-N 3.33Å; M574-A576 PolarHBondContact O-N 3.29Å; A576-I599 HydrophobicContact CB-CD1 3.59Å; A576-I599 HydrophobicContact CB-CG1 3.84Å; A576-I599 HydrophobicContact CB-CG2 4Å
577T96.4Very high96.3Very high21 Ų2163.8 Ų63.813%0.12930%0.299CS..Hα-helixtrans-123.1-9.8-168.366.90000114.7I573 M574 A579 I599 I602 L603I573-T577 HydrophobicContact CG2-CG2 4.4Å; I573-T577 WeakPolarHBondContact O-CB 3.46Å; I573-T577 VanDerWaalsContact O-CG2 3.32Å; I573-T577 WeakPolarHBondContact O-CG2 3.45Å; I573-T577 PolarHBondContact O-N 2.79Å; I573-T577 PolarHBondContact O-OG1 2.96Å; M574-T577 PolarHBondContact O-N 3.28Å; T577-A579 PolarHBondContact O-N 2.83Å; T577-A579 VanDerWaalsContact OG1-CB 3.31Å; T577-A579 WeakPolarHBondContact OG1-CB 3.42Å; T577-A579 PolarHBondContact OG1-N 3.43Å; T577-I599 HydrophobicContact CG2-CB 4.28Å; T577-I599 HydrophobicContact CG2-CG1 4.2Å; T577-I599 HydrophobicContact CG2-CG2 4.02Å; T577-I602 HydrophobicContact CG2-CB 3.99Å; T577-I602 HydrophobicContact CG2-CD1 4.13Å; T577-I602 HydrophobicContact CG2-CG2 3.96Å; T577-L603 HydrophobicContact CG2-CD2 4.05Å; T577-L603 HydrophobicContact CG2-CG 3.92Å
578E95.2Very high96.4Very high191 Ų19161.3 Ų61.389%0.89329%0.287SS*.  trans61.214.6-171.9-54.5-176.7173.200114.3M574M574-E578 VanDerWaalsContact O-CA 3.28Å; M574-E578 WeakPolarHBondContact O-CA 3.1Å; M574-E578 PolarHBondContact O-N 3.02Å
579A96.9Very high96.7Very high20 Ų2059 Ų5917%0.16529%0.292CS..  trans-74.6157.8175.700000112.9T577 T583T577-A579 PolarHBondContact O-N 2.83Å; T577-A579 VanDerWaalsContact OG1-CB 3.31Å; T577-A579 WeakPolarHBondContact OG1-CB 3.42Å; T577-A579 PolarHBondContact OG1-N 3.43Å; A579-T583 HydrophobicContact CB-CG2 3.88Å
580D97.7Very high96.8Very high86 Ų8663.8 Ų63.846%0.4632%0.315SS..  trans-72.5171.317163.428.9000112.4E582 T583 A584D580-E582 VanDerWaalsContact C-N 3.34Å; D580-E582 PolarHBondContact O-N 2.97Å; D580-E582 PolarHBondContact OD1-N 3.27Å; D580-T583 PolarHBondContact O-N 2.96Å; D580-T583 WeakPolarHBondContact OD1-CB 3.4Å; D580-T583 PolarHBondContact OD1-N 3.34Å; D580-T583 PolarHBondContact OD1-OG1 3.26Å; D580-A584 WeakPolarHBondContact O-CB 3.28Å; D580-A584 PolarHBondContact O-N 3.08Å
581Y97.7Very high96.8Very high79 Ų7962.3 Ų62.331%0.3131%0.309SS..Hα-helixtrans-66-39.3-175.3-178.3-87.8000111.6E567 K570 M574 A584 A585E567-Y581 VanDerWaalsContact CD-OH 3.25Å; E567-Y581 PolarHBondContact OE1-OH 3.22Å; E567-Y581 WeakPolarHBondContact OE2-CE2 3.47Å; E567-Y581 PolarHBondContact OE2-OH 3.11Å; K570-Y581 HydrophobicContact CB-CE2 4.17Å; K570-Y581 HydrophobicContact CD-CE1 4.38Å; K570-Y581 HydrophobicContact CD-CE2 3.82Å; K570-Y581 VanDerWaalsContact CD-OH 3.31Å; K570-Y581 WeakPolarHBondContact CD-OH 3.05Å; K570-Y581 PolarHBondContact NZ-OH 2.85Å; M574-Y581 HydrophobicContact SD-CD2 3.84Å; M574-Y581 HydrophobicContact SD-CG 4.35Å; Y581-A584 PolarHBondContact O-N 3.27Å; Y581-A585 HydrophobicContact CE1-CB 4.35Å; Y581-A585 VanDerWaalsContact O-CB 3.22Å; Y581-A585 WeakPolarHBondContact O-CB 3.29Å; Y581-A585 PolarHBondContact O-N 2.95Å
582E97.5Very high96.8Very high137 Ų13761.6 Ų61.664%0.6431%0.312SS*.Hα-helixtrans-62.1-46.6179.1-69.276.9-174.500111.1D580 A585 H586D580-E582 VanDerWaalsContact C-N 3.34Å; D580-E582 PolarHBondContact O-N 2.97Å; D580-E582 PolarHBondContact OD1-N 3.27Å; E582-A585 PolarHBondContact O-N 3.38Å; E582-H586 WeakPolarHBondContact O-CB 3.49Å; E582-H586 PolarHBondContact O-N 2.83Å
583T97.2Very high96.7Very high49 Ų4966 Ų6630%0.30133%0.333SS..Hα-helixtrans-63.6-47.8175.5-57.20000110.5A579 D580 A585 H586 Y587A579-T583 HydrophobicContact CB-CG2 3.88Å; D580-T583 PolarHBondContact O-N 2.96Å; D580-T583 WeakPolarHBondContact OD1-CB 3.4Å; D580-T583 PolarHBondContact OD1-N 3.34Å; D580-T583 PolarHBondContact OD1-OG1 3.26Å; T583-A585 VanDerWaalsContact C-N 3.32Å; T583-A585 PolarHBondContact O-N 3.43Å; T583-H586 PolarHBondContact O-N 3.1Å; T583-Y587 HydrophobicContact CG2-CD2 3.81Å; T583-Y587 HydrophobicContact CG2-CE2 3.95Å; T583-Y587 WeakPolarHBondContact O-CD2 3.45Å; T583-Y587 PolarHBondContact O-N 2.96Å
584A97.5Very high96.6Very high0 Ų069.3 Ų69.30%035%0.35CS..Hα-helixtrans-60-41.9177.400000112.2I573 M574 D580 Y581 F588I573-A584 HydrophobicContact CB-CB 3.99Å; I573-A584 HydrophobicContact CG2-CB 3.76Å; M574-A584 HydrophobicContact CG-CB 3.52Å; D580-A584 WeakPolarHBondContact O-CB 3.28Å; D580-A584 PolarHBondContact O-N 3.08Å; Y581-A584 PolarHBondContact O-N 3.27Å; A584-F588 WeakPolarHBondContact O-CB 3.4Å; A584-F588 PolarHBondContact O-N 2.9Å
585A96.9Very high96.4Very high25 Ų2566.7 Ų66.721%0.20734%0.338CS..Hα-helixtrans-67.6-38.7177.700000112.2K570 Y581 E582 T583 A589K570-A585 HydrophobicContact CD-CB 4.24Å; Y581-A585 HydrophobicContact CE1-CB 4.35Å; Y581-A585 VanDerWaalsContact O-CB 3.22Å; Y581-A585 WeakPolarHBondContact O-CB 3.29Å; Y581-A585 PolarHBondContact O-N 2.95Å; E582-A585 PolarHBondContact O-N 3.38Å; T583-A585 VanDerWaalsContact C-N 3.32Å; T583-A585 PolarHBondContact O-N 3.43Å; A585-A589 PolarHBondContact O-N 3.24Å; A585-A589 VanDerWaalsContact O-N 3.1Å
586H97.6Very high96.4Very high97 Ų9761 Ų6145%0.44931%0.311SS..Hα-helixtrans-62.4-55.4175.717458.3000111.4E582 T583 F588 A589 E590E582-H586 WeakPolarHBondContact O-CB 3.49Å; E582-H586 PolarHBondContact O-N 2.83Å; T583-H586 PolarHBondContact O-N 3.1Å; H586-F588 VanDerWaalsContact C-N 3.31Å; H586-F588 PolarHBondContact O-N 3.45Å; H586-A589 WeakPolarHBondContact O-CB 3.47Å; H586-A589 PolarHBondContact O-N 3.35Å; H586-A589 VanDerWaalsContact O-N 3.08Å; H586-E590 IonicContact CE1-OE1 2.83Å; H586-E590 WeakPolarHBondContact O-CG 3.47Å; H586-E590 PolarHBondContact O-N 3.05Å
587Y97.7Very high96.4Very high52 Ų5261.2 Ų61.220%0.20431%0.31CS..Hα-helixtrans-67.1-31.1179.7-83.3-86.4000112.8T583 A589 E590 A591 M601 I602T583-Y587 HydrophobicContact CG2-CD2 3.81Å; T583-Y587 HydrophobicContact CG2-CE2 3.95Å; T583-Y587 WeakPolarHBondContact O-CD2 3.45Å; T583-Y587 PolarHBondContact O-N 2.96Å; Y587-A589 VanDerWaalsContact C-N 3.31Å; Y587-A589 PolarHBondContact O-N 3.1Å; Y587-E590 PolarHBondContact O-N 3.06Å; Y587-A591 WeakPolarHBondContact O-CB 3.43Å; Y587-A591 PolarHBondContact O-N 3.44Å; Y587-M601 HydrophobicContact CD1-CB 3.58Å; Y587-M601 HydrophobicContact CD1-CE 3.77Å; Y587-M601 HydrophobicContact CD1-SD 4.26Å; Y587-M601 HydrophobicContact CE1-CB 3.74Å; Y587-M601 HydrophobicContact CE1-CE 4.01Å; Y587-I602 HydrophobicContact CD1-CG1 3.8Å; Y587-I602 HydrophobicContact CD2-CD1 3.94Å; Y587-I602 HydrophobicContact CD2-CG1 3.49Å; Y587-I602 VanDerWaalsContact CD2-CG1 3.49Å; Y587-I602 HydrophobicContact CE1-CG1 4.17Å; Y587-I602 HydrophobicContact CE2-CG1 3.89Å; Y587-I602 HydrophobicContact CG-CD1 3.9Å; Y587-I602 HydrophobicContact CG-CG1 3.43Å; Y587-I602 VanDerWaalsContact CG-CG1 3.43Å
588F97Very high96.4Very high9 Ų960.2 Ų60.24%0.03930%0.304CS..Hα-helixtrans-61.5-40.2171.2-177.9-115.2000111.9P560 V566 K570 I573 A584 H586 Q593 V595P560-F588 HydrophobicContact CB-CZ 4.11Å; P560-F588 HydrophobicContact CG-CE2 4.42Å; P560-F588 HydrophobicContact CG-CZ 3.94Å; V566-F588 HydrophobicContact CG1-CE1 4.02Å; K570-F588 HydrophobicContact CG-CD1 4.26Å; K570-F588 HydrophobicContact CG-CG 4.5Å; I573-F588 HydrophobicContact CD1-CB 3.65Å; I573-F588 HydrophobicContact CD1-CD2 3.76Å; I573-F588 HydrophobicContact CD1-CG 4.08Å; A584-F588 WeakPolarHBondContact O-CB 3.4Å; A584-F588 PolarHBondContact O-N 2.9Å; H586-F588 VanDerWaalsContact C-N 3.31Å; H586-F588 PolarHBondContact O-N 3.45Å; F588-Q593 HydrophobicContact CD1-CG 4.42Å; F588-Q593 HydrophobicContact CE1-CB 3.97Å; F588-Q593 HydrophobicContact CE1-CG 3.77Å; F588-Q593 VanDerWaalsContact CE2-C 3.47Å; F588-Q593 VanDerWaalsContact CE2-CA 3.41Å; F588-Q593 HydrophobicContact CE2-CB 3.79Å; F588-Q593 HydrophobicContact CE2-CG 4.48Å; F588-Q593 WeakPolarHBondContact CE2-O 3.18Å; F588-Q593 HydrophobicContact CZ-CB 3.49Å; F588-Q593 VanDerWaalsContact CZ-CB 3.49Å; F588-Q593 HydrophobicContact CZ-CG 3.83Å; F588-Q593 VanDerWaalsContact O-CA 3.28Å; F588-Q593 WeakPolarHBondContact O-CA 3.45Å; F588-Q593 PolarHBondContact O-N 3.26Å; F588-V595 HydrophobicContact CD2-CG2 4.17Å; F588-V595 HydrophobicContact CE2-CG2 3.79Å
589A96.2Very high96.6Very high66 Ų6651.1 Ų51.155%0.54526%0.262SS..Hα-helixtrans-71-44.1175.500000112A585 H586 Y587 A591 E592A585-A589 PolarHBondContact O-N 3.24Å; A585-A589 VanDerWaalsContact O-N 3.1Å; H586-A589 WeakPolarHBondContact O-CB 3.47Å; H586-A589 PolarHBondContact O-N 3.35Å; H586-A589 VanDerWaalsContact O-N 3.08Å; Y587-A589 VanDerWaalsContact C-N 3.31Å; Y587-A589 PolarHBondContact O-N 3.1Å; A589-A591 VanDerWaalsContact C-N 3.29Å; A589-A591 PolarHBondContact O-N 3.1Å; A589-E592 PolarHBondContact O-N 3.49Å
590E96.7Very high96.6Very high101 Ų10150.1 Ų50.147%0.47225%0.254SS..Hα-helixtrans-60.2-38.9176.7-68.2-114.8121.800112.2H586 Y587 E592 M601H586-E590 IonicContact CE1-OE1 2.83Å; H586-E590 WeakPolarHBondContact O-CG 3.47Å; H586-E590 PolarHBondContact O-N 3.05Å; Y587-E590 PolarHBondContact O-N 3.06Å; E590-E592 PolarHBondContact O-N 3.16Å; E590-M601 HydrophobicContact CB-CE 3.96Å
591A96.3Very high96.6Very high2 Ų246.1 Ų46.12%0.01723%0.232CC..THydrogen-bonded Turntrans-77.811.6175.600000113.6Y587 A589 Q593 N594 L597 A598 M601Y587-A591 WeakPolarHBondContact O-CB 3.43Å; Y587-A591 PolarHBondContact O-N 3.44Å; A589-A591 VanDerWaalsContact C-N 3.29Å; A589-A591 PolarHBondContact O-N 3.1Å; A591-Q593 VanDerWaalsContact C-N 3.26Å; A591-Q593 PolarHBondContact O-N 3Å; A591-N594 HydrophobicContact CB-CB 4.43Å; A591-N594 WeakPolarHBondContact CB-O 3.5Å; A591-N594 WeakPolarHBondContact O-CB 2.75Å; A591-N594 PolarHBondContact O-N 3.17Å; A591-L597 HydrophobicContact CB-CB 4.09Å; A591-L597 HydrophobicContact CB-CD2 4.13Å; A591-L597 HydrophobicContact CB-CG 4.06Å; A591-A598 HydrophobicContact CB-CB 3.77Å; A591-M601 HydrophobicContact CB-SD 3.96Å
592E94.8Very high96.6Very high146 Ų14644 Ų4468%0.68223%0.226SC*.THydrogen-bonded Turntrans53.143.5-178.4-68.5169.5-172.500112.8A589 E590 N594 K608A589-E592 PolarHBondContact O-N 3.49Å; E590-E592 PolarHBondContact O-N 3.16Å; E592-N594 PolarHBondContact O-N 3.03Å; E592-K608 IonicContact OE1-NZ 3.28Å; E592-K608 PolarHBondContact OE1-NZ 3.04Å; E592-K608 IonicContact OE2-NZ 2.96Å; E592-K608 PolarHBondContact OE2-NZ 3.39Å
593Q93.4Very high96.6Very high103 Ų10340 Ų4048%0.48121%0.209SC..THydrogen-bonded Turntrans66.516.7-178-51.2-177.533.600114.7P560 F588 A591 V595P560-Q593 HydrophobicContact CG-CB 4.02Å; F588-Q593 HydrophobicContact CD1-CG 4.42Å; F588-Q593 HydrophobicContact CE1-CB 3.97Å; F588-Q593 HydrophobicContact CE1-CG 3.77Å; F588-Q593 VanDerWaalsContact CE2-C 3.47Å; F588-Q593 VanDerWaalsContact CE2-CA 3.41Å; F588-Q593 HydrophobicContact CE2-CB 3.79Å; F588-Q593 HydrophobicContact CE2-CG 4.48Å; F588-Q593 WeakPolarHBondContact CE2-O 3.18Å; F588-Q593 HydrophobicContact CZ-CB 3.49Å; F588-Q593 VanDerWaalsContact CZ-CB 3.49Å; F588-Q593 HydrophobicContact CZ-CG 3.83Å; F588-Q593 VanDerWaalsContact O-CA 3.28Å; F588-Q593 WeakPolarHBondContact O-CA 3.45Å; F588-Q593 PolarHBondContact O-N 3.26Å; A591-Q593 VanDerWaalsContact C-N 3.26Å; A591-Q593 PolarHBondContact O-N 3Å; Q593-V595 PolarHBondContact O-N 3.37Å
594N93.7Very high96.6Very high70 Ų7038.9 Ų38.937%0.37420%0.202SC..  trans-85.9105.6170.8-171.2-48.9000110.6A591 E592 K596 L597 A598A591-N594 HydrophobicContact CB-CB 4.43Å; A591-N594 WeakPolarHBondContact CB-O 3.5Å; A591-N594 WeakPolarHBondContact O-CB 2.75Å; A591-N594 PolarHBondContact O-N 3.17Å; E592-N594 PolarHBondContact O-N 3.03Å; N594-K596 PolarHBondContact O-N 2.93Å; N594-K596 PolarHBondContact OD1-N 3.3Å; N594-L597 HydrophobicContact CB-CB 3.89Å; N594-L597 PolarHBondContact O-N 2.88Å; N594-L597 WeakPolarHBondContact OD1-CB 3.41Å; N594-L597 PolarHBondContact OD1-N 3.45Å; N594-A598 WeakPolarHBondContact O-CB 3.38Å; N594-A598 PolarHBondContact O-N 3.24Å
595V94.9Very high96.5Very high2 Ų245.7 Ų45.71%0.01224%0.238CC..Hα-helixtrans-60.4-47.1-177.6172.40000112V556 V558 S569 I572 I573 F588 Q593 L597 A598 I599V556-V595 HydrophobicContact CB-CG1 4.36Å; V556-V595 VanDerWaalsContact O-CB 3.28Å; V556-V595 WeakPolarHBondContact O-CB 3.29Å; V556-V595 WeakPolarHBondContact O-CG1 3.32Å; V558-V595 HydrophobicContact CG1-CG2 4.07Å; S569-V595 VanDerWaalsContact OG-CG2 3.24Å; S569-V595 WeakPolarHBondContact OG-CG2 3.38Å; I572-V595 HydrophobicContact CB-CG1 4.29Å; I572-V595 HydrophobicContact CG2-CG1 3.79Å; I573-V595 HydrophobicContact CG1-CG1 4.02Å; F588-V595 HydrophobicContact CD2-CG2 4.17Å; F588-V595 HydrophobicContact CE2-CG2 3.79Å; Q593-V595 PolarHBondContact O-N 3.37Å; V595-L597 PolarHBondContact O-N 3.49Å; V595-A598 PolarHBondContact O-N 3.37Å; V595-I599 HydrophobicContact CG1-CD1 3.89Å; V595-I599 VanDerWaalsContact O-CG1 3.29Å; V595-I599 WeakPolarHBondContact O-CG1 3.45Å; V595-I599 PolarHBondContact O-N 3.38Å
596K95.9Very high96.5Very high15 Ų1544.9 Ų44.97%0.06523%0.231CC..Hα-helixtrans-60.9-46.3-179.6-171.5-174.8-66.5-178.50111.7G548 V556 D557 N594 I599 V600 L615 G620 V622G548-K596 WeakPolarHBondContact O-CE 3.36Å; G548-K596 PolarHBondContact O-NZ 3.44Å; V556-K596 HydrophobicContact CB-CB 4.38Å; V556-K596 HydrophobicContact CG2-CB 4.38Å; V556-K596 HydrophobicContact CG2-CG 4.23Å; V556-K596 PolarHBondContact O-N 3.36Å; V556-K596 VanDerWaalsContact O-N 3.1Å; D557-K596 WeakPolarHBondContact OD1-CE 3.1Å; D557-K596 IonicContact OD1-NZ 2.73Å; D557-K596 PolarHBondContact OD1-NZ 2.94Å; D557-K596 WeakPolarHBondContact OD2-CE 3.31Å; D557-K596 IonicContact OD2-NZ 3.53Å; D557-K596 PolarHBondContact OD2-NZ 3.13Å; N594-K596 PolarHBondContact O-N 2.93Å; N594-K596 PolarHBondContact OD1-N 3.3Å; K596-I599 PolarHBondContact O-N 3.44Å; K596-V600 WeakPolarHBondContact O-CG2 3.39Å; K596-V600 PolarHBondContact O-N 3.07Å; K596-V600 VanDerWaalsContact O-N 3.1Å; K596-L615 HydrophobicContact CD-CD1 4.24Å; K596-L615 HydrophobicContact CD-CD2 3.62Å; K596-L615 HydrophobicContact CG-CD1 4.17Å; K596-L615 HydrophobicContact CG-CD2 3.93Å; K596-G620 WeakPolarHBondContact CD-O 3.38Å; K596-G620 PolarHBondContact NZ-O 3.32Å; K596-G620 VanDerWaalsContact NZ-O 3.11Å; K596-V622 HydrophobicContact CD-CG2 4.02Å; K596-V622 HydrophobicContact CG-CG2 3.44Å; K596-V622 VanDerWaalsContact CG-CG2 3.44Å
597L96.9Very high96.4Very high14 Ų1442.7 Ų42.77%0.07323%0.227CC..Hα-helixtrans-63.1-45.5178.6-178.462.1000111.1A591 N594 V595 I599 V600 M601 K608 A611 A612 L615A591-L597 HydrophobicContact CB-CB 4.09Å; A591-L597 HydrophobicContact CB-CD2 4.13Å; A591-L597 HydrophobicContact CB-CG 4.06Å; N594-L597 HydrophobicContact CB-CB 3.89Å; N594-L597 PolarHBondContact O-N 2.88Å; N594-L597 WeakPolarHBondContact OD1-CB 3.41Å; N594-L597 PolarHBondContact OD1-N 3.45Å; V595-L597 PolarHBondContact O-N 3.49Å; L597-I599 VanDerWaalsContact C-N 3.29Å; L597-I599 PolarHBondContact O-N 3.4Å; L597-V600 PolarHBondContact O-N 3.06Å; L597-V600 VanDerWaalsContact O-N 3.11Å; L597-M601 HydrophobicContact CD1-CG 4.49Å; L597-M601 HydrophobicContact CG-CG 4.45Å; L597-M601 HydrophobicContact CG-SD 4.15Å; L597-M601 VanDerWaalsContact O-CG 3.28Å; L597-M601 WeakPolarHBondContact O-CG 3.39Å; L597-M601 PolarHBondContact O-N 3.44Å; L597-K608 HydrophobicContact CD2-CG 3.83Å; L597-A611 HydrophobicContact CD1-CB 3.61Å; L597-A612 HydrophobicContact CD1-CB 4.06Å; L597-L615 HydrophobicContact CB-CD1 4.3Å; L597-L615 HydrophobicContact CD1-CD1 4.01Å
598A97.6Very high96.4Very high0 Ų042.6 Ų42.60%023%0.227CC..Hα-helixtrans-56.7-42.2175.400000112.3I573 A591 N594 V595 M601 I602I573-A598 HydrophobicContact CD1-CB 3.66Å; I573-A598 HydrophobicContact CG1-CB 4.19Å; A591-A598 HydrophobicContact CB-CB 3.77Å; N594-A598 WeakPolarHBondContact O-CB 3.38Å; N594-A598 PolarHBondContact O-N 3.24Å; V595-A598 PolarHBondContact O-N 3.37Å; A598-M601 PolarHBondContact O-N 3.39Å; A598-I602 WeakPolarHBondContact O-CG1 3.04Å; A598-I602 PolarHBondContact O-N 2.96Å; A598-I602 VanDerWaalsContact O-N 3.09Å
599I97.8Very high96.4Very high0 Ų048 Ų480%025%0.253CS..Hα-helixtrans-60.9-45.6175.9-70166.1000111Y551 V556 I572 I573 A576 T577 V595 K596 L597 I602 L603 V622Y551-I599 HydrophobicContact CD1-CG2 4.47Å; V556-I599 HydrophobicContact CB-CD1 4Å; V556-I599 HydrophobicContact CG1-CD1 3.37Å; I572-I599 HydrophobicContact CG2-CD1 4.16Å; I573-I599 HydrophobicContact CB-CG1 4.41Å; I573-I599 HydrophobicContact CG1-CG1 4.07Å; I573-I599 HydrophobicContact CG2-CG1 4.46Å; A576-I599 HydrophobicContact CB-CD1 3.59Å; A576-I599 HydrophobicContact CB-CG1 3.84Å; A576-I599 HydrophobicContact CB-CG2 4Å; T577-I599 HydrophobicContact CG2-CB 4.28Å; T577-I599 HydrophobicContact CG2-CG1 4.2Å; T577-I599 HydrophobicContact CG2-CG2 4.02Å; V595-I599 HydrophobicContact CG1-CD1 3.89Å; V595-I599 VanDerWaalsContact O-CG1 3.29Å; V595-I599 WeakPolarHBondContact O-CG1 3.45Å; V595-I599 PolarHBondContact O-N 3.38Å; K596-I599 PolarHBondContact O-N 3.44Å; L597-I599 VanDerWaalsContact C-N 3.29Å; L597-I599 PolarHBondContact O-N 3.4Å; I599-I602 PolarHBondContact O-N 3.4Å; I599-L603 HydrophobicContact CG2-CD1 3.56Å; I599-L603 HydrophobicContact CG2-CG 4.17Å; I599-L603 WeakPolarHBondContact O-CB 3.44Å; I599-L603 VanDerWaalsContact O-CG 3.28Å; I599-L603 WeakPolarHBondContact O-CG 3.42Å; I599-L603 PolarHBondContact O-N 3.47Å; I599-V622 HydrophobicContact CG2-CG1 3.75Å
600V97.8Very high96.4Very high0 Ų049.8 Ų49.80%025%0.25CC..Hα-helixtrans-68.4-38.4180175.80000112K596 L597 I602 T604 A611 K614 L615 V622 T625K596-V600 WeakPolarHBondContact O-CG2 3.39Å; K596-V600 PolarHBondContact O-N 3.07Å; K596-V600 VanDerWaalsContact O-N 3.1Å; L597-V600 PolarHBondContact O-N 3.06Å; L597-V600 VanDerWaalsContact O-N 3.11Å; V600-I602 VanDerWaalsContact C-N 3.35Å; V600-I602 PolarHBondContact O-N 3.14Å; V600-T604 HydrophobicContact CG1-CG2 4.23Å; V600-T604 WeakPolarHBondContact O-CB 3.25Å; V600-T604 WeakPolarHBondContact O-CG2 3.5Å; V600-T604 PolarHBondContact O-N 3.23Å; V600-T604 VanDerWaalsContact O-N 3.1Å; V600-T604 PolarHBondContact O-OG1 3.09Å; V600-A611 HydrophobicContact CB-CB 4.26Å; V600-A611 HydrophobicContact CG1-CB 3.83Å; V600-K614 HydrophobicContact CG1-CB 4.33Å; V600-K614 HydrophobicContact CG1-CD 4.48Å; V600-L615 HydrophobicContact CB-CD1 4.48Å; V600-L615 HydrophobicContact CB-CG 4.39Å; V600-L615 HydrophobicContact CG1-CG 4.48Å; V600-L615 HydrophobicContact CG2-CD1 4.14Å; V600-L615 HydrophobicContact CG2-CD2 3.75Å; V600-L615 HydrophobicContact CG2-CG 3.85Å; V600-V622 HydrophobicContact CG2-CB 4.46Å; V600-V622 HydrophobicContact CG2-CG1 4.1Å; V600-V622 HydrophobicContact CG2-CG2 4.23Å; V600-T625 HydrophobicContact CG1-CG2 4.18Å; V600-T625 HydrophobicContact CG2-CG2 4.13Å; V600-T625 WeakPolarHBondContact CG2-OG1 3.48Å
601M98.1Very high96.5Very high2 Ų245 Ų451%0.0123%0.227CC..Hα-helixtrans-56.8-49.3174.5-70.4171.672.300110.8Y587 E590 A591 L597 A598 D605 S606 K608 A611Y587-M601 HydrophobicContact CD1-CB 3.58Å; Y587-M601 HydrophobicContact CD1-CE 3.77Å; Y587-M601 HydrophobicContact CD1-SD 4.26Å; Y587-M601 HydrophobicContact CE1-CB 3.74Å; Y587-M601 HydrophobicContact CE1-CE 4.01Å; E590-M601 HydrophobicContact CB-CE 3.96Å; A591-M601 HydrophobicContact CB-SD 3.96Å; L597-M601 HydrophobicContact CD1-CG 4.49Å; L597-M601 HydrophobicContact CG-CG 4.45Å; L597-M601 HydrophobicContact CG-SD 4.15Å; L597-M601 VanDerWaalsContact O-CG 3.28Å; L597-M601 WeakPolarHBondContact O-CG 3.39Å; L597-M601 PolarHBondContact O-N 3.44Å; A598-M601 PolarHBondContact O-N 3.39Å; M601-D605 WeakPolarHBondContact O-CA 3.37Å; M601-D605 PolarHBondContact O-N 2.97Å; M601-D605 VanDerWaalsContact O-N 3.13Å; M601-S606 PolarHBondContact O-N 3.07Å; M601-S606 VanDerWaalsContact O-N 3.16Å; M601-K608 HydrophobicContact CE-CB 3.95Å; M601-K608 HydrophobicContact SD-CB 4.17Å; M601-K608 HydrophobicContact SD-CG 4.38Å; M601-A611 HydrophobicContact CB-CB 4.3Å; M601-A611 HydrophobicContact CG-CB 3.43Å; M601-A611 VanDerWaalsContact CG-CB 3.43Å
602I97.7Very high96.5Very high34 Ų3446.5 Ų46.517%0.17424%0.24CC..Hα-helixtrans-66.9-52.3179.3-63.5166.9000111.3I573 T577 Y587 A598 I599 V600 T604 D605I573-I602 HydrophobicContact CG2-CD1 3.42Å; I573-I602 VanDerWaalsContact CG2-CD1 3.42Å; T577-I602 HydrophobicContact CG2-CB 3.99Å; T577-I602 HydrophobicContact CG2-CD1 4.13Å; T577-I602 HydrophobicContact CG2-CG2 3.96Å; Y587-I602 HydrophobicContact CD1-CG1 3.8Å; Y587-I602 HydrophobicContact CD2-CD1 3.94Å; Y587-I602 HydrophobicContact CD2-CG1 3.49Å; Y587-I602 VanDerWaalsContact CD2-CG1 3.49Å; Y587-I602 HydrophobicContact CE1-CG1 4.17Å; Y587-I602 HydrophobicContact CE2-CG1 3.89Å; Y587-I602 HydrophobicContact CG-CD1 3.9Å; Y587-I602 HydrophobicContact CG-CG1 3.43Å; Y587-I602 VanDerWaalsContact CG-CG1 3.43Å; A598-I602 WeakPolarHBondContact O-CG1 3.04Å; A598-I602 PolarHBondContact O-N 2.96Å; A598-I602 VanDerWaalsContact O-N 3.09Å; I599-I602 PolarHBondContact O-N 3.4Å; V600-I602 VanDerWaalsContact C-N 3.35Å; V600-I602 PolarHBondContact O-N 3.14Å; I602-T604 PolarHBondContact O-N 3.05Å; I602-D605 PolarHBondContact O-N 3.34Å
603L97.1Very high96.6Very high53 Ų5344.3 Ų44.328%0.27723%0.23SC..Hα-helixtrans-66-22.3-172.7-71.9179.7000113.7Y551 T577 I599 V622 I626Y551-L603 HydrophobicContact CE1-CD1 4.18Å; T577-L603 HydrophobicContact CG2-CD2 4.05Å; T577-L603 HydrophobicContact CG2-CG 3.92Å; I599-L603 HydrophobicContact CG2-CD1 3.56Å; I599-L603 HydrophobicContact CG2-CG 4.17Å; I599-L603 WeakPolarHBondContact O-CB 3.44Å; I599-L603 VanDerWaalsContact O-CG 3.28Å; I599-L603 WeakPolarHBondContact O-CG 3.42Å; I599-L603 PolarHBondContact O-N 3.47Å; L603-V622 HydrophobicContact CD1-CG1 4.25Å; L603-I626 HydrophobicContact CB-CG1 4.28Å; L603-I626 HydrophobicContact CD1-CD1 3.67Å; L603-I626 HydrophobicContact CD1-CG1 4.21Å
604T96.2Very high96.8Very high26 Ų2642.6 Ų42.616%0.1622%0.221CC..THydrogen-bonded Turntrans-120.510.4-173.275.80000113.7V600 I602 S606 K614 T625 I626V600-T604 HydrophobicContact CG1-CG2 4.23Å; V600-T604 WeakPolarHBondContact O-CB 3.25Å; V600-T604 WeakPolarHBondContact O-CG2 3.5Å; V600-T604 PolarHBondContact O-N 3.23Å; V600-T604 VanDerWaalsContact O-N 3.1Å; V600-T604 PolarHBondContact O-OG1 3.09Å; I602-T604 PolarHBondContact O-N 3.05Å; T604-S606 VanDerWaalsContact C-N 3.31Å; T604-S606 PolarHBondContact O-N 2.93Å; T604-S606 PolarHBondContact OG1-OG 3.42Å; T604-K614 HydrophobicContact CG2-CD 4.38Å; T604-K614 PolarHBondContact O-NZ 2.98Å; T604-K614 PolarHBondContact OG1-NZ 3.38Å; T604-T625 WeakPolarHBondContact CG2-O 3.2Å; T604-I626 HydrophobicContact CG2-CG1 4.36Å
605D96.3Very high97Very high142 Ų14240.3 Ų40.376%0.75921%0.208SC*.THydrogen-bonded Turntrans42.956-179.2-167.632.2000112.1M601 I602M601-D605 WeakPolarHBondContact O-CA 3.37Å; M601-D605 PolarHBondContact O-N 2.97Å; M601-D605 VanDerWaalsContact O-N 3.13Å; I602-D605 PolarHBondContact O-N 3.34Å
606S96.1Very high97Very high9 Ų946.4 Ų46.46%0.06324%0.239CC..  trans-130.4153.2-172.763.20000112.5M601 T604M601-S606 PolarHBondContact O-N 3.07Å; M601-S606 VanDerWaalsContact O-N 3.16Å; T604-S606 VanDerWaalsContact C-N 3.31Å; T604-S606 PolarHBondContact O-N 2.93Å; T604-S606 PolarHBondContact OG1-OG 3.42Å
607S96.5Very high97Very high50 Ų5054.8 Ų54.835%0.3527%0.271SS..  trans-60.8164.2173590000111.6E609 E610 A611S607-E609 PolarHBondContact O-N 3.33Å; S607-E610 PolarHBondContact N-OE2 3.15Å; S607-E610 PolarHBondContact O-N 2.95Å; S607-E610 WeakPolarHBondContact OG-CB 3.44Å; S607-E610 WeakPolarHBondContact OG-CG 3.39Å; S607-E610 PolarHBondContact OG-N 2.87Å; S607-E610 PolarHBondContact OG-OE2 3.04Å; S607-A611 VanDerWaalsContact O-CB 3.29Å; S607-A611 WeakPolarHBondContact O-CB 3.41Å; S607-A611 PolarHBondContact O-N 3.22Å
608K97.2Very high97Very high51 Ų5154.4 Ų54.422%0.22227%0.27CS..Hα-helixtrans-54.6-43.3177-174.1-167.1178.8-164.80111.3E592 L597 M601 A612E592-K608 IonicContact OE1-NZ 3.28Å; E592-K608 PolarHBondContact OE1-NZ 3.04Å; E592-K608 IonicContact OE2-NZ 2.96Å; E592-K608 PolarHBondContact OE2-NZ 3.39Å; L597-K608 HydrophobicContact CD2-CG 3.83Å; M601-K608 HydrophobicContact CE-CB 3.95Å; M601-K608 HydrophobicContact SD-CB 4.17Å; M601-K608 HydrophobicContact SD-CG 4.38Å; K608-A612 WeakPolarHBondContact O-CB 3.47Å; K608-A612 PolarHBondContact O-N 3.27Å
609E97.3Very high96.8Very high122 Ų12260 Ų6057%0.5730%0.3SS*.Hα-helixtrans-67.4-47.1-179.2-65.468.7-150.200111.5S607 A612 E613S607-E609 PolarHBondContact O-N 3.33Å; E609-A612 PolarHBondContact O-N 3.05Å; E609-E613 PolarHBondContact O-N 3.47Å
610E97.3Very high96.6Very high103 Ų10361 Ų6148%0.48131%0.309SS..Hα-helixtrans-64-41.8177.3-72.9167.1148.900111.9S607 A612 E613 K614S607-E610 PolarHBondContact N-OE2 3.15Å; S607-E610 PolarHBondContact O-N 2.95Å; S607-E610 WeakPolarHBondContact OG-CB 3.44Å; S607-E610 WeakPolarHBondContact OG-CG 3.39Å; S607-E610 PolarHBondContact OG-N 2.87Å; S607-E610 PolarHBondContact OG-OE2 3.04Å; E610-A612 VanDerWaalsContact C-N 3.34Å; E610-E613 PolarHBondContact O-N 3.26Å; E610-K614 WeakPolarHBondContact O-CG 3.49Å; E610-K614 PolarHBondContact O-N 2.73Å
611A97.5Very high96.6Very high0 Ų063.2 Ų63.20%032%0.319CS..Hα-helixtrans-63.9-39.7176.500000111.7L597 V600 M601 S607 K614 L615L597-A611 HydrophobicContact CD1-CB 3.61Å; V600-A611 HydrophobicContact CB-CB 4.26Å; V600-A611 HydrophobicContact CG1-CB 3.83Å; M601-A611 HydrophobicContact CB-CB 4.3Å; M601-A611 HydrophobicContact CG-CB 3.43Å; M601-A611 VanDerWaalsContact CG-CB 3.43Å; S607-A611 VanDerWaalsContact O-CB 3.29Å; S607-A611 WeakPolarHBondContact O-CB 3.41Å; S607-A611 PolarHBondContact O-N 3.22Å; A611-K614 PolarHBondContact O-N 3.43Å; A611-L615 PolarHBondContact O-N 3.48Å
612A97Very high96.5Very high35 Ų3563.1 Ų63.129%0.28932%0.319SS..Hα-helixtrans-64-43.5174.500000111.5L597 K608 E609 E610 L615 I616L597-A612 HydrophobicContact CD1-CB 4.06Å; K608-A612 WeakPolarHBondContact O-CB 3.47Å; K608-A612 PolarHBondContact O-N 3.27Å; E609-A612 PolarHBondContact O-N 3.05Å; E610-A612 VanDerWaalsContact C-N 3.34Å; A612-L615 PolarHBondContact O-N 3.43Å; A612-I616 WeakPolarHBondContact O-CG1 3.26Å; A612-I616 PolarHBondContact O-N 3.47Å
613E97.4Very high96.4Very high100 Ų10068.1 Ų68.147%0.46734%0.339SS..Hα-helixtrans-62.2-42.5174.1-75.5-170.4-164.300112.6E609 E610 L615 I616 R617E609-E613 PolarHBondContact O-N 3.47Å; E610-E613 PolarHBondContact O-N 3.26Å; E613-L615 VanDerWaalsContact C-N 3.32Å; E613-L615 PolarHBondContact O-N 3.41Å; E613-I616 PolarHBondContact O-N 3.37Å; E613-R617 WeakPolarHBondContact O-CG 3.42Å; E613-R617 PolarHBondContact O-N 3.43Å; E613-R617 IonicContact OE2-CZ 2.74Å; E613-R617 IonicContact OE2-NH2 2.69Å; E613-R617 PolarHBondContact OE2-NH2 2.82Å
614K97.5Very high96.3Very high67 Ų6771.5 Ų71.529%0.29135%0.352SS..Hα-helixtrans-59.1-45.4175.4-74.1176.5-171.8178.10110.7V600 T604 E610 A611 I616 R617 A618 T625V600-K614 HydrophobicContact CG1-CB 4.33Å; V600-K614 HydrophobicContact CG1-CD 4.48Å; T604-K614 HydrophobicContact CG2-CD 4.38Å; T604-K614 PolarHBondContact O-NZ 2.98Å; T604-K614 PolarHBondContact OG1-NZ 3.38Å; E610-K614 WeakPolarHBondContact O-CG 3.49Å; E610-K614 PolarHBondContact O-N 2.73Å; A611-K614 PolarHBondContact O-N 3.43Å; K614-I616 PolarHBondContact O-N 2.89Å; K614-R617 PolarHBondContact O-N 3.35Å; K614-A618 WeakPolarHBondContact O-CB 3.42Å; K614-A618 PolarHBondContact O-N 2.92Å; K614-T625 HydrophobicContact CB-CG2 4.04Å
615L96.2Very high96.3Very high21 Ų2171 Ų7111%0.1135%0.348CS..Hα-helixtrans-60.5-43.2176.7-82.8171.7000112.4K596 L597 V600 A611 A612 E613 A618 D619 G620 T625K596-L615 HydrophobicContact CD-CD1 4.24Å; K596-L615 HydrophobicContact CD-CD2 3.62Å; K596-L615 HydrophobicContact CG-CD1 4.17Å; K596-L615 HydrophobicContact CG-CD2 3.93Å; L597-L615 HydrophobicContact CB-CD1 4.3Å; L597-L615 HydrophobicContact CD1-CD1 4.01Å; V600-L615 HydrophobicContact CB-CD1 4.48Å; V600-L615 HydrophobicContact CB-CG 4.39Å; V600-L615 HydrophobicContact CG1-CG 4.48Å; V600-L615 HydrophobicContact CG2-CD1 4.14Å; V600-L615 HydrophobicContact CG2-CD2 3.75Å; V600-L615 HydrophobicContact CG2-CG 3.85Å; A611-L615 PolarHBondContact O-N 3.48Å; A612-L615 PolarHBondContact O-N 3.43Å; E613-L615 VanDerWaalsContact C-N 3.32Å; E613-L615 PolarHBondContact O-N 3.41Å; L615-A618 CarbonylContact O-C 3.6Å; L615-A618 PolarHBondContact O-N 2.9Å; L615-D619 PolarHBondContact O-N 2.89Å; L615-G620 PolarHBondContact O-N 3.48Å; L615-T625 HydrophobicContact CD2-CG2 3.93Å; L615-T625 HydrophobicContact CG-CG2 4.22Å
616I95.4Very high96Very high130 Ų13070 Ų7067%0.66734%0.342SS*.Hα-helixtrans-60.9-48.6176.2-68.5165.3000110.5A612 E613 K614 A618 D619A612-I616 WeakPolarHBondContact O-CG1 3.26Å; A612-I616 PolarHBondContact O-N 3.47Å; E613-I616 PolarHBondContact O-N 3.37Å; K614-I616 PolarHBondContact O-N 2.89Å; I616-A618 PolarHBondContact O-N 3.49Å; I616-D619 PolarHBondContact O-N 3.37Å
617R96.5Very high96Very high192 Ų19273.1 Ų73.173%0.72536%0.356SS*.Hα-helixtrans-64.9-25.2179.2-67.4177.3-162.5179.39.7113.2E613 K614E613-R617 WeakPolarHBondContact O-CG 3.42Å; E613-R617 PolarHBondContact O-N 3.43Å; E613-R617 IonicContact OE2-CZ 2.74Å; E613-R617 IonicContact OE2-NH2 2.69Å; E613-R617 PolarHBondContact OE2-NH2 2.82Å; K614-R617 PolarHBondContact O-N 3.35Å
618A96.3Very high96Very high6 Ų674.3 Ų74.35%0.0536%0.356CS..THydrogen-bonded Turntrans-90.66.5179.900000113.6K614 L615 I616 G620 F621 K624 T625K614-A618 WeakPolarHBondContact O-CB 3.42Å; K614-A618 PolarHBondContact O-N 2.92Å; L615-A618 CarbonylContact O-C 3.6Å; L615-A618 PolarHBondContact O-N 2.9Å; I616-A618 PolarHBondContact O-N 3.49Å; A618-G620 PolarHBondContact O-N 3.07Å; A618-F621 WeakPolarHBondContact O-CB 3.49Å; A618-F621 VanDerWaalsContact O-CD2 3.31Å; A618-F621 WeakPolarHBondContact O-CD2 3.47Å; A618-F621 PolarHBondContact O-N 3.33Å; A618-F621 VanDerWaalsContact O-N 3.11Å; A618-K624 HydrophobicContact CB-CB 3.77Å; A618-T625 HydrophobicContact CB-CG2 3.57Å
619D93.7Very high95.9Very high118 Ų11875.6 Ų75.663%0.63136%0.364SS*.THydrogen-bonded Turntrans53.236.7-172.1-54.2-47.5000112.6L615 I616 F621L615-D619 PolarHBondContact O-N 2.89Å; I616-D619 PolarHBondContact O-N 3.37Å; D619-F621 VanDerWaalsContact C-N 3.29Å; D619-F621 HydrophobicContact CB-CD2 4.14Å; D619-F621 HydrophobicContact CB-CE2 4.32Å; D619-F621 VanDerWaalsContact O-CD2 3.28Å; D619-F621 WeakPolarHBondContact O-CD2 3.32Å; D619-F621 PolarHBondContact O-N 3.14Å
620G94Very high95.8Very high19 Ų1972.8 Ų72.820%0.19635%0.351CS..THydrogen-bonded Turntrans78.11.1-179.700000115.7K596 L615 A618 V622K596-G620 WeakPolarHBondContact CD-O 3.38Å; K596-G620 PolarHBondContact NZ-O 3.32Å; K596-G620 VanDerWaalsContact NZ-O 3.11Å; L615-G620 PolarHBondContact O-N 3.48Å; A618-G620 PolarHBondContact O-N 3.07Å; G620-V622 PolarHBondContact O-N 3.3Å
621F96.8Very high95.7Very high47 Ų4770.9 Ų70.921%0.20634%0.343CS..  trans-83.4109.7178.6-69.7-97.7000111.9G546 A618 D619 K623 K624G546-F621 WeakPolarHBondContact O-CZ 3.32Å; A618-F621 WeakPolarHBondContact O-CB 3.49Å; A618-F621 VanDerWaalsContact O-CD2 3.31Å; A618-F621 WeakPolarHBondContact O-CD2 3.47Å; A618-F621 PolarHBondContact O-N 3.33Å; A618-F621 VanDerWaalsContact O-N 3.11Å; D619-F621 VanDerWaalsContact C-N 3.29Å; D619-F621 HydrophobicContact CB-CD2 4.14Å; D619-F621 HydrophobicContact CB-CE2 4.32Å; D619-F621 VanDerWaalsContact O-CD2 3.28Å; D619-F621 WeakPolarHBondContact O-CD2 3.32Å; D619-F621 PolarHBondContact O-N 3.14Å; F621-K623 VanDerWaalsContact C-N 3.25Å; F621-K623 PolarHBondContact O-N 3.41Å; F621-K624 HydrophobicContact CB-CB 4.21Å; F621-K624 HydrophobicContact CB-CD 3.95Å; F621-K624 HydrophobicContact CB-CG 3.99Å; F621-K624 HydrophobicContact CD2-CD 4.45Å; F621-K624 HydrophobicContact CG-CD 4.3Å; F621-K624 PolarHBondContact O-N 2.63Å
622V96.3Very high95.6Very high1 Ų175.7 Ų75.71%0.00637%0.366CS..G310 helixtrans-51.8-42175.9178.10000112.3Y551 V556 K596 I599 V600 L603 G620 K624 T625Y551-V622 HydrophobicContact CD1-CG1 4.13Å; Y551-V622 HydrophobicContact CD2-CB 3.63Å; Y551-V622 HydrophobicContact CD2-CG1 3.61Å; Y551-V622 HydrophobicContact CE1-CG1 4.3Å; Y551-V622 HydrophobicContact CE2-CB 4.25Å; Y551-V622 HydrophobicContact CE2-CG1 3.81Å; Y551-V622 HydrophobicContact CG-CB 3.89Å; Y551-V622 HydrophobicContact CG-CG1 3.78Å; Y551-V622 HydrophobicContact CG-CG2 4.46Å; V556-V622 HydrophobicContact CG2-CG2 4.32Å; K596-V622 HydrophobicContact CD-CG2 4.02Å; K596-V622 HydrophobicContact CG-CG2 3.44Å; K596-V622 VanDerWaalsContact CG-CG2 3.44Å; I599-V622 HydrophobicContact CG2-CG1 3.75Å; V600-V622 HydrophobicContact CG2-CB 4.46Å; V600-V622 HydrophobicContact CG2-CG1 4.1Å; V600-V622 HydrophobicContact CG2-CG2 4.23Å; L603-V622 HydrophobicContact CD1-CG1 4.25Å; G620-V622 PolarHBondContact O-N 3.3Å; V622-K624 PolarHBondContact O-N 2.81Å; V622-K624 VanDerWaalsContact O-N 3.15Å; V622-T625 PolarHBondContact O-N 3.02Å; V622-T625 VanDerWaalsContact O-N 3.07Å; V622-T625 PolarHBondContact O-OG1 3.3Å
623K95.6Very high95.5Very high139 Ų13978.6 Ų78.660%0.60437%0.372SS*.G310 helixtrans-62.8-26.1-177.7-167.766.3-179.4-177.10113.5Y551 F621Y551-K623 HydrophobicContact CD2-CB 4.4Å; Y551-K623 HydrophobicContact CE2-CB 4.17Å; Y551-K623 HydrophobicContact CE2-CD 3.95Å; F621-K623 VanDerWaalsContact C-N 3.25Å; F621-K623 PolarHBondContact O-N 3.41Å
624K96.4Very high95.4Very high124 Ų12476.9 Ų76.954%0.53936%0.364SS..G310 helixtrans-88.4-6.5179.7-64.9-179-172.8169.10113A618 F621 V622A618-K624 HydrophobicContact CB-CB 3.77Å; F621-K624 HydrophobicContact CB-CB 4.21Å; F621-K624 HydrophobicContact CB-CD 3.95Å; F621-K624 HydrophobicContact CB-CG 3.99Å; F621-K624 HydrophobicContact CD2-CD 4.45Å; F621-K624 HydrophobicContact CG-CD 4.3Å; F621-K624 PolarHBondContact O-N 2.63Å; V622-K624 PolarHBondContact O-N 2.81Å; V622-K624 VanDerWaalsContact O-N 3.15Å
625T95.1Very high95.2Very high14 Ų1477.8 Ų77.89%0.08637%0.37CS..THydrogen-bonded Turntrans-87.6-20.6176.266.30000113.3V600 T604 K614 L615 A618 V622V600-T625 HydrophobicContact CG1-CG2 4.18Å; V600-T625 HydrophobicContact CG2-CG2 4.13Å; V600-T625 WeakPolarHBondContact CG2-OG1 3.48Å; T604-T625 WeakPolarHBondContact CG2-O 3.2Å; K614-T625 HydrophobicContact CB-CG2 4.04Å; L615-T625 HydrophobicContact CD2-CG2 3.93Å; L615-T625 HydrophobicContact CG-CG2 4.22Å; A618-T625 HydrophobicContact CB-CG2 3.57Å; V622-T625 PolarHBondContact O-N 3.02Å; V622-T625 VanDerWaalsContact O-N 3.07Å; V622-T625 PolarHBondContact O-OG1 3.3Å
626I90.4Very high95.1Very high122 Ų12282.9 Ų82.963%0.62639%0.394SS*.  trans-86.10178.6-47.2164.3000107.8Y551 L603 T604Y551-I626 HydrophobicContact CE2-CD1 4.32Å; L603-I626 HydrophobicContact CB-CG1 4.28Å; L603-I626 HydrophobicContact CD1-CD1 3.67Å; L603-I626 HydrophobicContact CD1-CG1 4.21Å; T604-I626 HydrophobicContact CG2-CG1 4.36Å

Retrieved 626 of 626 residues in 1140.4 ms (Link to these results)

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